smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(c1ccccc1)c1cc(NC[C@@H](C(=O)O)C2CCOCC2)ncn1 863735789 GXMZJIHJMASLHF-MRXNPFEDSA-N 356.426 2.784 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356167025 RMUKQMUIQSZYBL-OAQYLSRUSA-N 351.450 2.855 0 50 FFAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1 8494397 XQHJXUULMGZYIT-UHFFFAOYSA-N 370.540 2.724 0 50 FFAA Cc1cc(F)ccc1NC(=O)CS(=O)(=O)c1cccc2nsnc12 8600710 UELZPCPBQBDQIY-UHFFFAOYSA-N 365.411 2.551 0 50 FFAA Cc1csc(-c2ccc(C(=O)NCc3nonc3C)c(N(C)C)n2)c1 20136091 CHJHAECEWUQGDV-UHFFFAOYSA-N 357.439 2.806 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(c1nccn(C3CC3)c1=O)CC2 328625479 DEOHRLYGKVCWCR-HNNXBMFYSA-N 371.510 2.526 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccc(N)nc2)nc1 67755543 CGIKHFAUOGVCCO-UHFFFAOYSA-N 364.453 2.866 0 50 FFAA Cn1ccnc1CN(C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 67819886 DFMLLDGCQPBBCF-OAHLLOKOSA-N 353.344 2.664 0 50 FFAA C[C@@](O)(CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccsc1 126154266 VEAPGPWHOCSHOG-GOSISDBHSA-N 374.441 2.780 0 50 FFAA CCN(Cc1nccn1C)C(=O)c1coc(COc2ccc(F)cc2)n1 67713512 FALRRWMJWZJPHU-UHFFFAOYSA-N 358.373 2.789 0 50 FFAA CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cn1 2804569 URHCWFNMSAQABP-UHFFFAOYSA-N 365.846 2.602 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)c1ccc(N3CCN(C)CC3)cc1)C2 219175436 RXSAQPWDWNBBOZ-UHFFFAOYSA-N 365.477 2.646 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1)c1ccc(C)cc1 332901664 VQZNCJJVQKGCBZ-WSTZPKSXSA-N 358.482 2.978 0 50 FFAA CC(C)NS(=O)(=O)c1cccnc1N1Cc2ccccc2C2(CC2)C1 333432785 KKHVOSYCBVBDGN-UHFFFAOYSA-N 357.479 2.820 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 237502795 ULZDMPHAJDPTBI-YPMHNXCESA-N 359.451 2.533 0 50 FFAA CNC(=O)Cc1cccc(-n2ccnc2-c2cc(OC)c(OC)cc2F)c1 77284982 NWZGICDHNSUQRE-UHFFFAOYSA-N 369.396 2.984 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cc(-c2cccn2C)n[nH]1 77489481 RNLGDTQUTCHRMF-UHFFFAOYSA-N 360.421 2.873 0 50 FFAA CCn1nc(C)c(CN2CCOC[C@H]2CC(=O)Nc2ccccc2F)c1C 72419514 GSUCYGJJUSASJR-MRXNPFEDSA-N 374.460 2.889 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)c1nc(-c2ccncc2)nc2c1CNC2 72143437 WXEPRUYAPGHMIP-UHFFFAOYSA-N 363.469 2.551 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 77489842 YZARYQMMVASNDC-HNNXBMFYSA-N 364.409 2.936 0 50 FFAA CCC(=O)N1CCCN(C(=O)Nc2ccccc2-n2nccc2C)CC1 363758783 DZXMONULUPFTFE-UHFFFAOYSA-N 355.442 2.657 0 50 FFAA COCC[C@H](C)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 155732064 UXTZDMKPSMMCIJ-QFYYESIMSA-N 354.859 2.810 0 50 FFAA CSCC(=O)N1CCc2nc(C)nc(NCc3ccccc3)c2CC1 72438973 HGVGGMPWDZOIJR-UHFFFAOYSA-N 356.495 2.687 0 50 FFAA Cc1nc(CN(C)[C@H]2CCN(Cc3cc(F)cc4cccnc34)C2)no1 372946347 JDCPPKMZERECKF-KRWDZBQOSA-N 355.417 2.772 0 50 FFAA Cc1ccsc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72474099 NVXAGTHPMUENNZ-OAHLLOKOSA-N 362.495 2.734 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)no1 72168855 CWHSMPDLCJVTBO-LBPRGKRZSA-N 364.396 2.552 0 50 FFAA Cc1nc(C(C)C)cc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72423725 FNUUJRXNIORBRZ-OAQYLSRUSA-N 373.545 2.679 0 50 FFAA O=C(NCc1nc2c(s1)CCCC2)c1ccccc1N1CCOCC1 222394522 SXZVXPYDALTEKK-UHFFFAOYSA-N 357.479 2.789 0 50 FFAA CCO[C@H]1CN(C(=O)c2cc(N3CCCCC3)ccc2Cl)C[C@@H]1O 222335084 LWNSTLUETXEFAJ-IRXDYDNUSA-N 352.862 2.552 0 50 FFAA CN(C)c1ccccc1-c1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 426640357 GDWSKPTUBQVEQT-QGZVFWFLSA-N 351.450 2.757 0 50 FFAA O=C(c1ccc(F)cc1Cl)N1CCC[C@H](c2ccn(CCO)n2)C1 426652938 NBLBUHDXFJQWSF-LBPRGKRZSA-N 351.809 2.688 0 50 FFAA CN1CC(=O)N(c2cccc(NC(=O)N3CCC4(CCCC4)C3)c2)C1=O 426443076 CSXIPXXQQVKDAJ-UHFFFAOYSA-N 356.426 2.883 0 50 FFAA O=C(NCC1(N2CCCCC2)CCCC1)N(CCCO)Cc1ccncc1 426503494 WGKPDAWSCGHMCM-UHFFFAOYSA-N 374.529 2.774 0 50 FFAA CC[C@H](NC(=O)c1cccc(-c2ccc(C(=O)NC)o2)c1)c1cnn(C)c1 426548404 CJRKIOVXBIUMSO-INIZCTEOSA-N 366.421 2.921 0 50 FFAA CCc1cc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)cc(=O)[nH]1 97514338 MICMKBJRCCGMIE-SNVBAGLBSA-N 370.375 2.527 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cnc(C)nc1)CC2 426535603 CSUJVOLADCTSKV-WSTZPKSXSA-N 354.454 2.771 0 50 FFAA CC[C@]1(C(=O)O)CCCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 91602563 PMSFOTAWXLMTHA-ZDUSSCGKSA-N 367.755 2.809 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95354662 IDWGXVFZRIBFJZ-MRXNPFEDSA-N 368.437 2.569 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)ccc21 95521745 CUASCVLFIWUKLA-YJEJQGFLSA-N 371.437 2.847 0 50 FFAA O=C1N(CCO)CCC[C@]12CCN(Cc1ccc(-c3ccccc3F)o1)C2 92107572 HRYVRRQXHQSTIH-OAQYLSRUSA-N 372.440 2.893 0 50 FFAA COc1ccc(OC)c(CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 181123720 DSIQLTKZJCJBKH-INIZCTEOSA-N 350.459 2.892 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)c(O)c1 95527257 RMVFSFKQSPUKRG-QGZVFWFLSA-N 370.497 2.869 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 91626102 ZSSUZHJQJQGLSU-UHFFFAOYSA-N 373.884 2.614 0 50 FFAA Cc1ccccc1OC1CN(C(=O)c2cnc(N)nc2-c2ccccc2)C1 95390621 AWNKGOGUKXFJNL-UHFFFAOYSA-N 360.417 2.938 0 50 FFAA CNc1ncc(CN(C)C(=O)COc2ccc(Cl)cc2Cl)cn1 92064797 CPIUGGIQFOOHJF-UHFFFAOYSA-N 355.225 2.863 0 50 FFAA Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239025256 BIDMMKCOZVKTBE-WWTWNBORSA-N 364.445 2.684 0 50 FFAA Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cn1 91858149 ZLENGEWYDFPXMD-FUHWJXTLSA-N 354.429 2.661 0 50 FFAA Cc1cc(C(=O)N(C)Cc2ccccc2CN2CCCC2)c(=O)[nH]c1C 91381127 XBFXPWVFMAQFIE-UHFFFAOYSA-N 353.466 2.860 0 50 FFAA O=C(c1cc(=O)[nH]c2cc(F)ccc12)N(CCO)Cc1ccccc1Cl 97173263 OOHLLTFLVCCCKU-UHFFFAOYSA-N 374.799 2.955 0 50 FFAA Cc1c(C(=O)NCC2(c3cccc(F)c3)CCCC2)cnc2cc(=O)[nH]n12 243892338 AGJZTFHYCWAKBP-UHFFFAOYSA-N 368.412 2.712 0 50 FFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244778773 PWKADTWWNLWLQM-KLPPZKSPSA-N 372.860 2.506 0 50 FFAA O=C(CCN1CCO[C@H](c2ccccc2)C1)Nc1nnc(C2CC2)s1 240971753 UCDBDVOKLYZDSH-HNNXBMFYSA-N 358.467 2.818 0 50 FFAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccnc2ccccc12 183782623 GIZCZCNSPRLAEQ-GOSISDBHSA-N 361.445 2.731 0 50 FFAA COCCn1cnnc1CN(C)C(=O)Nc1cc(C)c(Cl)cc1OC 299793569 JRHBYFDJCDAINO-UHFFFAOYSA-N 367.837 2.559 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(-n2cnnc2)c1 299797740 CCKIVKWASCRENS-INIZCTEOSA-N 353.430 2.700 0 50 FFAA Cc1nc(CCc2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)n[nH]1 299756602 FHICKXNPMPFVJB-BBWFWOEESA-N 364.453 2.974 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc2ncsc2c1 299781325 QYRDPLWEALRTSO-LLVKDONJSA-N 360.443 2.807 0 50 FFAA Cc1cc(CC(C)C)nc(N2CC[C@H](NCc3cccc(CO)c3)C2)n1 828827588 KFTLCSCFHACUIX-IBGZPJMESA-N 354.498 2.844 0 50 FFAA Cc1ccc2nc(CCCNC(=O)N3CC[C@@H](CN(C)C)C3)[nH]c2c1C 584898894 BMHNFGBCIQITCM-INIZCTEOSA-N 357.502 2.705 0 50 FFAA Cc1ccc(NCc2c[nH]nc2C(F)(F)F)cc1N1CCCS1(=O)=O 1875319711 OQUTXBTYFRWTGA-UHFFFAOYSA-N 374.388 2.889 0 50 FFAA CCOC(=O)c1cc2c(=N[C@@H](C)c3ccc(OC)cc3)[nH]c(C)cn2n1 1875354187 CEKKPUPCURAGON-ZDUSSCGKSA-N 354.410 2.818 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 1875365001 UOFKDEOFNCBIEM-LJQANCHMSA-N 366.383 2.787 0 50 FFAA C[C@@H]1CN(C(=O)c2ccn(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1CCN 1875312350 LOSIMTJIURXMNN-CHWSQXEVSA-N 366.387 2.948 0 50 FFAA O=C(C/C=C/Cc1ccccc1)N1CC[C@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875401510 JZGUQYQUARHCJD-RPCWLKAMSA-N 352.438 2.999 0 50 FFAA COC1(C(F)(F)F)CC2(CN(C(=O)N[C@@H]3CCC[C@@H]3n3cccn3)C2)C1 1875404373 GWZIWJJJYOAEND-OLZOCXBDSA-N 372.391 2.730 0 50 FFAA Cc1nc(CN2CC[C@H](NC(=O)c3ccc(C(C)C)cc3)[C@@H](O)C2)cs1 1565530695 FNWLBDPMRKZHCU-OALUTQOASA-N 373.522 2.940 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)CCc2ccncc2)CC1 276044853 SIZYQNIAROSQRU-HXUWFJFHSA-N 352.482 2.922 0 50 FFAA CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@H]1CCCOc2ccccc21 170646730 VADVXMPAHCMXJK-HNNXBMFYSA-N 355.442 2.748 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1C[C@@]12CCCc1ccccc12 170644367 IGCHSJZFWLLKHE-OXJNMPFZSA-N 368.506 2.855 0 50 FFAA Cc1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 225518437 BCSDVUIEHRGEEC-CQSZACIVSA-N 358.873 2.825 0 50 FFAA CO[C@](C)(C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F 192247666 NUJMFOSMCLPLTQ-YJYMSZOUSA-N 360.433 2.533 0 50 FFAA c1ccc(CN2CCCO[C@H](CNCc3ccc4cn[nH]c4c3)C2)cc1 192354771 YLAGAKMFPLIEAP-HXUWFJFHSA-N 350.466 2.944 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)O)cc2)CCN1C[C@H](O)c1ccccc1 736810381 OEXWLDDDODUBEW-JXFKEZNVSA-N 354.450 2.625 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 1506423274 VICLPSMAWDZJEU-GOSISDBHSA-N 357.454 2.656 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(C)CC2(CO)CCC2)cc1Cl 1506414452 ZLXDLGZFSOAKKQ-UHFFFAOYSA-N 368.282 2.785 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CC(=O)OC12CCCCC2 1506416451 BNQUJPFGRZVVAJ-CYBMUJFWSA-N 359.401 2.926 0 50 FFAA Cn1c(N[C@H]2CCCN(C(=O)c3ccco3)C2)nc2cc(C(=O)O)ccc21 1506412797 FGLJWOMNFCFYNN-ZDUSSCGKSA-N 368.393 2.581 0 50 FFAA CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 222107081 UWFHNEZZVWYRPE-AEFFLSMTSA-N 355.438 2.754 0 50 FFAA CC(C)CN1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1529192144 OSADRDDAJRLYBS-JOCHJYFZSA-N 359.558 2.941 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529099495 YPHGSCTWTMYYTP-GDBMZVCRSA-N 365.861 2.676 0 50 FFAA CCc1cc(NCc2noc([C@@H]3CCCO3)n2)nc(N2CCCCC2)n1 1704354239 YDFPPJHWJLPQOE-AWEZNQCLSA-N 358.446 2.876 0 50 FFAA COc1cccc(SCC(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772812460 LVDCUTDMVBLWAF-UHFFFAOYSA-N 372.490 2.892 0 50 FFAA O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(-n2cnnn2)cc1 5034675 BRTYXLOJLLMMSE-UHFFFAOYSA-N 362.418 2.962 0 50 FFAA O[C@@H]1CCCN(c2ncccc2CNCc2c(F)ccc(F)c2F)C1 12442537 ZMEQZELAGAFZMK-CYBMUJFWSA-N 351.372 2.750 0 50 FFAA O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnsn1 12585967 SVMLKEDJLMWKMV-LBPRGKRZSA-N 361.377 2.809 0 50 FFAA COc1cccc(CN2CCC[C@@](O)(CN(C)C3CCCCC3)C2=O)c1 12836454 XHJJQGSUBABWDW-OAQYLSRUSA-N 360.498 2.813 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)ccc21 15328408 PXAXFKYIFJQNIR-GFCCVEGCSA-N 362.426 2.774 0 50 FFAA COc1ccc(C)cc1NC(=O)CCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 15879968 JAACFICWLGDDCK-HUUCEWRRSA-N 356.422 2.674 0 50 FFAA O=c1[nH]c(CN2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12 16275537 BYKUBBXPPPYCCN-UHFFFAOYSA-N 354.841 2.899 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(F)c(F)c(F)c2)C[C@H]1C(=O)O 203307396 WARUCKBOLSMBAQ-CABZTGNLSA-N 361.316 2.945 0 50 FFAA Fc1ccc(Cn2cc(-n3ccnc3-c3cnn4cccnc34)cn2)cc1 1857686439 WXQGKOBABYKWBO-UHFFFAOYSA-N 359.368 2.966 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)c1ccoc1 1857732906 MLHPUCCIYRKMGD-DODZYUBVSA-N 358.463 2.751 0 50 FFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ncccc2C(F)(F)F)cn1 328628295 HEFXMEAOYJWXTQ-DOMZBBRYSA-N 353.348 2.784 0 50 FFAA COc1ccc2c(c1)CN(C(=O)CCNC(N)=O)[C@H](C1CCCCC1)C2 370362052 PXFJXIFGNPFVKV-SFHVURJKSA-N 359.470 2.587 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)C[C@H](C)c2cnn(C)c2)c1C 842282251 TUXZSDNCGQUJSR-ZDUSSCGKSA-N 363.483 2.652 0 50 FFAA COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(OC)cc3)on2)cc1 6668425 JEMHQCCVNPSLDG-UHFFFAOYSA-N 374.418 2.837 0 50 FFAA O=C(NCC1(O)CCC(F)(F)CC1)c1cc(=O)c2cc(F)ccc2o1 1772635095 PJBRCGHQNUWERQ-UHFFFAOYSA-N 355.312 2.602 0 50 FFAA CCOC(=O)[C@@H](C)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1 2268139 IXNLCAOPOPPKKB-GFCCVEGCSA-N 350.367 2.875 0 50 FFAA biogenic O=C(CCN1CCC[C@H]([C@]23CC[C@@H]2CCN3)C1)N1CCc2sccc2C1 2325765193 XRMLJFIJUMJMJQ-LQWHRVPQSA-N 373.566 2.877 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2c2cccc(Cl)c2)C1 2325888497 YECAKPLHOMVDBK-WBVHZDCISA-N 362.857 2.665 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@]3(CCCC[C@@H]3O)C2)cc1 2325889944 FLLBERRJNLIUHC-RXVVDRJESA-N 356.466 2.993 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356150866 CVYGHCFUGSYJIX-IBGZPJMESA-N 362.857 2.734 0 50 FFAA CCCCc1ncc(CN2CCc3nc(Cc4ccccc4)nn3CC2)[nH]1 2356158107 WZOVVIALVJGCST-UHFFFAOYSA-N 364.497 2.993 0 50 FFAA O=C(CC(F)(F)F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55154417 UJGGPRWJKZAAFB-MRXNPFEDSA-N 373.394 2.891 0 50 FFAA Cc1cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c2ccccc2n1 135732005 KWCFUUZVQBUJLF-KRWDZBQOSA-N 359.495 2.543 0 50 FFAA Cc1nn(CCN[C@@H](C)Cn2cnc3ccccc3c2=O)c(C)c1Cl 67515392 PBYRGKMVOPYZFL-LBPRGKRZSA-N 359.861 2.542 0 50 FFAA CCOC(=O)[C@](C)(CCc1ccc(Br)cc1)S(C)(=O)=O 112927846 CJOAQFZSYPMSKT-AWEZNQCLSA-N 363.273 2.748 0 50 FFAA Cc1cc(C)n(C[C@H](C)NCCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 67790652 FNCDIZVNBHNKKZ-NSHDSACASA-N 359.499 2.636 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c(=O)[nH]1 71614039 QEFJMUPACIGMAY-CQSZACIVSA-N 361.392 2.842 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)c3cc4cc(Cl)ccc4oc3=O)C2)C1=O 71315367 QUWYAFSULHVBLG-IBGZPJMESA-N 374.824 2.531 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71730594 UULYZFQYPMQZSD-IBGZPJMESA-N 358.530 2.626 0 50 FFAA O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32100218 LVSAURLRHWUUTL-OAHLLOKOSA-N 356.474 2.570 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@H]1CCCN1Cc1ccccc1 122556367 JJGMWPKEFQPSGL-GOSISDBHSA-N 365.481 2.771 0 50 FFAA O=C(C1CC1)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1 12072332 UICVVIUVPCPBDF-UHFFFAOYSA-N 358.438 2.634 0 50 FFAA Cc1ncc2c(c1CNC(=O)c1nc(-c3ccccc3)[nH]c1C)CCNC2 72428134 APECOGVCMJJHQF-UHFFFAOYSA-N 361.449 2.664 0 50 FFAA CCN1CCC[C@@H](CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)[C@@H]1c1cnn(C)c1 328641278 QOHSZGPSLPBETR-UPZYVNNASA-N 368.525 2.783 0 50 FFAA COc1cc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)c2c(c1)C[C@@H](C)O2 328657052 ZYJJSXIMYVFKEE-ORPRQENYSA-N 357.454 2.762 0 50 FFAA Cc1nc(C)n(CCNc2cc(-c3ccccc3F)nc3ccnn23)n1 72153352 COCURKSDSUVYPQ-UHFFFAOYSA-N 351.389 2.856 0 50 FFAA CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@]23CCOc2cc(C)c(C)cc23)CC1 328602132 AKEOQXMGJOXSKJ-UGKGYDQZSA-N 370.493 2.813 0 50 FFAA COc1c(C)cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C 151244470 QEUIWONYOKLWIT-SUMWQHHRSA-N 363.483 2.780 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3cccc4ncccc34)CC2)c1 72418588 AULDFWCLVWGYPE-UHFFFAOYSA-N 350.422 2.816 0 50 FFAA COc1ccc(-c2nc(CN3CCC(=O)NC[C@H]3C)c(C)o2)c(C)c1C 71771049 CFPRTRRYSCBHLA-GFCCVEGCSA-N 357.454 2.986 0 50 FFAA Cn1cnc2cc(NC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)ccc21 363286038 ACYZPYLVTVVEIO-QGZVFWFLSA-N 368.462 2.807 0 50 FFAA CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 155362665 YRHCADKNYGSEBC-QAPCUYQASA-N 359.514 2.807 0 50 FFAA CCN1C[C@@H](COC(=O)c2cncc(-c3ccc(OC)cc3)c2)CC1=O 125884642 XFTUUPCYZUCEAI-AWEZNQCLSA-N 354.406 2.782 0 50 FFAA O=C(CSCC1CC1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 219186490 FBNXPBYZOURRDS-IBGZPJMESA-N 371.506 2.645 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](CC3CCCCC3)C2)CC1 14975185 IRIAHSCTFFFEEP-SFHVURJKSA-N 365.518 2.578 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cnn(C)c2)C1 14966249 UVGJAODQGQTBMG-SFHVURJKSA-N 356.514 2.815 0 50 FFAA O=C(COc1ccc(Cl)cc1)N[C@@H]1CCCN(Cc2cccnc2)C1 219934418 ZCPOOASZHJOYHU-QGZVFWFLSA-N 359.857 2.895 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@H](C(=O)O)C1 237768525 OVHPFYSVELEEBS-SNVBAGLBSA-N 351.765 2.520 0 50 FFAA CCOC(=O)c1coc(N2CCC(c3nnc4n3CCCCC4)CC2)n1 77458990 QJSDBZLWZXCLKX-UHFFFAOYSA-N 359.430 2.553 0 50 FFAA CCCCc1cn(C[C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)nn1 48255114 MQADFRHRLRJJDG-OAHLLOKOSA-N 370.501 2.775 0 50 FFAA CCOc1cc(Cl)ccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 262888174 HRGRWTMORAERHA-CQSZACIVSA-N 355.818 2.596 0 50 FFAA CC(C)(C)OC(=O)[C@H]1C[C@@H](CNC(=O)c2c(F)cccc2Cl)[C@H](O)C1 239761773 CKLQSLABJJEFMB-COPLHBTASA-N 371.836 2.938 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(C)c(Cl)c(C)c3)C(=O)[C@@H]2C1 286219541 XHHDYWJPBOWNOS-YPMHNXCESA-N 350.802 2.677 0 50 FFAA CC(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)s1 241338657 MCTRHJBOCNETEU-UHFFFAOYSA-N 367.492 2.568 0 50 FFAA O=C(C[C@H]1CCOc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 172042454 OLYTXIGGHMXJII-QGZVFWFLSA-N 356.466 2.804 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)NC2CCN(C3CCCC3)CC2)c1 175003168 VWROGZPVZHNNPV-UHFFFAOYSA-N 357.498 2.556 0 50 FFAA O=C1OCCN1c1cccc2c1CCN(C[C@@H](O)Cc1ccccc1)C2 173701896 LAKBRUHTPIDBEQ-SFHVURJKSA-N 352.434 2.605 0 50 FFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]2C=C[C@H]1C2 225634957 ONNGITMBXUSJLM-MGBSGCIJSA-N 360.841 2.512 0 50 FFAA CCc1ccc(NC(=S)c2c(N)nc(N3CCC(C)CC3)[nH]c2=O)cc1 40385547 XSKKXWWOHOHKNU-UHFFFAOYSA-N 371.510 2.938 0 50 FFAA CCc1nn2c(nnc3c(=O)n(CCCOC)ccc32)c1-c1ccccc1 40388321 CUYFHGDTBWRIQW-UHFFFAOYSA-N 363.421 2.705 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N(Cc1ccncc1)Cc1ccco1 97815227 QTNGTLSFXZNBNA-UHFFFAOYSA-N 360.377 2.697 0 50 FFAA COc1cccc(NC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95505172 QYORRNIAWXZTKE-MRXNPFEDSA-N 371.485 2.865 0 50 FFAA CCn1nc(C)cc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 92028106 VNLMODBGIDSNSX-OAQYLSRUSA-N 372.513 2.999 0 50 FFAA CC(C)CC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 91255497 CZJYHYUDBFMRLW-UHFFFAOYSA-N 361.534 2.943 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccn(C(F)F)n1)C2 95391635 DSOIQMMSFKGYRN-DZGCQCFKSA-N 374.391 2.655 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(C)c1)CC2 92107732 XZVOSOLUFBLMQL-UHFFFAOYSA-N 372.509 2.805 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(c2nc(-c3ccccc3)no2)C1 95519968 JCJRFZXEXQREBV-INIZCTEOSA-N 353.426 2.964 0 50 FFAA C[C@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CCC1(F)F 290354767 JFIKVQBOPLMBCE-ZDUSSCGKSA-N 367.396 2.668 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N(Cc1cocn1)Cc1cocn1 97681877 AIOGVUFCRWSVBD-UHFFFAOYSA-N 356.382 2.694 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc(C(=O)O)cc2)C1 97732951 PKGUKPOWTWFPCY-GOSISDBHSA-N 352.434 2.913 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91289352 HJKXGRIZJVLANJ-LJQANCHMSA-N 363.889 2.933 0 50 FFAA CSCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)n1 96148463 QXZSKAVTOAMRGI-UHFFFAOYSA-N 374.426 2.921 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccnn1CC1CC1 96180163 TYUPJXWKLDATNE-HNNXBMFYSA-N 353.470 2.861 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 92064817 TWTMXCPQVZIFER-NRFANRHFSA-N 354.450 2.754 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNc1ccc(-c3nccn3C)nn1)C2 91620820 ZZQUSMAIPXJTKO-CYBMUJFWSA-N 351.410 2.549 0 50 FFAA CO[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nn1)c1ccccc1 181752518 NKCXGCCKTXTCMX-ZDUSSCGKSA-N 355.316 2.535 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cc(C)c(C)nc3O)cc2)C1 534634914 NBXOATDIALKQAK-GOSISDBHSA-N 367.449 2.812 0 50 FFAA O=C(O)[C@H]1C[C@H](C(=O)N2CCCC2)CN(Cc2cc3ccccc3o2)C1 71761199 ZNVXMWJYCIQGBN-HOTGVXAUSA-N 356.422 2.578 0 50 FFAA Cc1ncn(CC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)c1C 299800562 XLZXUIYZFHRYRA-UHFFFAOYSA-N 354.498 2.871 0 50 FFAA O=C(Nc1cc(F)c(F)cc1F)N1CCCN(C(=O)C2CCC2)CC1 299794289 JPECFYPVHNIJHP-UHFFFAOYSA-N 355.360 2.970 0 50 FFAA COc1ccc(CCCC(=O)N2CCC3(CC2)CN(C)CCCN3C)cc1 299757252 JINQBNPFEGWXCE-UHFFFAOYSA-N 373.541 2.646 0 50 FFAA O=C(NCCN1CCC(CO)CC1)c1cc(C(F)(F)F)ccc1Cl 299760789 OZQAMXNPFWCBRG-UHFFFAOYSA-N 364.795 2.793 0 50 FFAA O=C(NCCCN1CCCC[C@@H]1CO)c1cccc(-c2ccncc2F)c1 299757515 IQGUDFCUJNYESP-GOSISDBHSA-N 371.456 2.854 0 50 FFAA COc1ccc([C@@H](O)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 299771880 ZOABGZYMAZDLJZ-HXUWFJFHSA-N 354.450 2.641 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)NC[C@]3(O)CCCNC3)CCCC2)c1 828022172 FHBFSBLEAZWGGR-NRFANRHFSA-N 359.514 2.529 0 50 FFAA CN(C)C(=O)c1cccc(CCNC(=O)c2cccc3cc(O)ncc23)c1 1353505120 SIOCOGXGJLTXKM-UHFFFAOYSA-N 363.417 2.615 0 50 FFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 1565528881 PGLRPIXCWUJGOZ-HOTGVXAUSA-N 359.426 2.784 0 50 FFAA O=C(O)c1ccc(CNC(=O)C2(c3ccccc3Cl)CCOCC2)o1 268905845 NQQQBMRXCDQYEQ-UHFFFAOYSA-N 363.797 2.996 0 50 FFAA CCc1csc([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C2)n1 275453314 GXBFUYUJUVFNNL-CHWSQXEVSA-N 360.483 2.952 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCC([C@@H]3CCCO3)CC2)nn1 187514417 BLJFSSSMFXAENU-SFHVURJKSA-N 358.417 2.746 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1 193434297 IKGMXXLZISHRPP-SFHVURJKSA-N 365.433 2.680 0 50 FFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1cnn2c1NCCC2 1506408374 RUXCFVKCCUDVFL-UHFFFAOYSA-N 363.421 2.885 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704097640 UMJUDQWTGVTFPY-WBVHZDCISA-N 360.841 2.796 0 50 FFAA CCNC(=O)c1ccc(N2CCN(c3nsc4ccccc34)CC2)nc1 1704303196 XDGBCGOEAYFPAD-UHFFFAOYSA-N 367.478 2.768 0 50 FFAA Cc1cccnc1CC(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704339838 NKOLIZHNBKTLCJ-DYESRHJHSA-N 361.445 2.543 0 50 FFAA COc1cccc(CCC(=O)N2CCCN(C(=O)C3CC=CC3)CC2)c1 1772700319 COOXHEUWKDQUFA-UHFFFAOYSA-N 356.466 2.655 0 50 FFAA CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2=O)cc1 11099100 HWRJLMWRUMKBEE-IJEWVQPXSA-N 357.454 2.502 0 50 FFAA CCCc1ncc(CN2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)cn1 11754236 QALGBNZIRLHVJR-LJQANCHMSA-N 366.513 2.958 0 50 FFAA O=C(CN1CCCCC1)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12762708 ICZXGJNNVPSXFE-LJQANCHMSA-N 365.477 2.543 0 50 FFAA O=C(NCc1ccco1)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772399 UXKXMVNEPYWYDQ-UHFFFAOYSA-N 354.332 2.621 0 50 FFAA COC(=O)c1nc[nH]c1C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 1471190 POJSJDDPFDUHIT-UHFFFAOYSA-N 363.373 2.988 0 50 FFAA CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCN(c2ccccn2)CC1 5857748 YENLLNJHGZJVBY-SFHVURJKSA-N 369.509 2.941 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CO)(c4ccccc4)CC3)n[nH]c21 1857529299 KXJHRZLQUWYRCB-CABCVRRESA-N 369.465 2.598 0 50 FFAA Cc1cnccc1-n1nc(CC(N)=O)nc1-c1scc2c1CCCC2 1857676290 DXXFQVWJTQHVAO-UHFFFAOYSA-N 353.451 2.606 0 50 FFAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(C(C)(C)C)nc43)CC2)no1 1857719138 FAOUSJBZNAOVNT-UHFFFAOYSA-N 370.453 2.896 0 50 FFAA CCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 216472887 MMVFIFLBSGARFL-MOPGFXCFSA-N 350.466 2.975 0 50 FFAA C[C@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)n1nnnc1C(C)(C)C 331750306 ARTZSPKJYLPAJT-ZWNOBZJWSA-N 363.849 2.825 0 50 FFAA CC(C)(C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CC1 332747401 BFGZKFNOCBMQSO-MFKMUULPSA-N 359.850 2.807 0 50 FFAA Cn1cc([C@]2(C)CN(C(=O)NCc3ccc(C4CC4)cc3)CCO2)cn1 252491866 LXWMOJNJEGMMJM-FQEVSTJZSA-N 354.454 2.755 0 50 FFAA CCOc1ccc(OCC(=O)NC[C@@H](CO)Cc2ccc(C)cc2)cc1 252482556 DJAXWYFNSJCZEP-SFHVURJKSA-N 357.450 2.740 0 50 FFAA C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 256403002 AALLCALQGXXWNA-VUGOPIAYSA-N 358.390 2.533 0 50 FFAA endogenous,in-man CCOc1cc2c(cc1OCC)CN(C(=O)c1conc1COC)CC2 485558905 YWCKSRXJZRPDJU-UHFFFAOYSA-N 360.410 2.817 0 50 FFAA COc1ccc(CN2CCCN(C(=O)c3cccc(C(=O)O)c3)CC2)cc1 263466402 WTZUDUIGELUTDS-UHFFFAOYSA-N 368.433 2.742 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3cccc(Cn4cccn4)c3)C1)CC2 1704314338 PAFPALSGDNWAMO-QFIPXVFZSA-N 374.492 2.784 0 50 FFAA Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCO[C@](C)(C2CC2)C1 823034996 UAJFBLAQHCMGME-IBGZPJMESA-N 358.442 2.557 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@@H]1CC[C@@H]1n1cc(-c2ccccc2)cn1 1875314000 CCOFBGRZSDQETI-LUUOPXGJSA-N 353.422 2.737 0 50 FFAA C[C@H](C(=O)O)n1cc(-c2ccc(C(=O)N3CCC(CCF)CC3)cc2)nn1 1875355095 ABPCWERHVCPZAU-CYBMUJFWSA-N 374.416 2.803 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2NCCc3ccccc32)c1Cc1ccccc1 1875313187 YEBNEUNJQBXKTI-FQEVSTJZSA-N 360.461 2.628 0 50 FFAA Cn1cccc1CN[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875399481 XPYCSNQRZNSRLM-NSISKUIASA-N 350.466 2.818 0 50 FFAA C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1 1079520 GLKOCNVIMGSYIJ-AWEZNQCLSA-N 370.478 2.985 0 50 FFAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC[C@@H]1CCCO1 4492487 LNBRMIJBDMTZQS-KSSFIOAISA-N 374.437 2.826 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CC[C@@H](c4nc(C)no4)C3)no2)cc1 1857798858 DDJVFTJNKOWGOO-CYBMUJFWSA-N 354.366 2.671 0 50 FFAA O=C(NC[C@@]12CCCN[C@@H]1C2)N1CCc2sc(Br)cc2C1 2325766229 DLQOUTNVBHJBFJ-DOMZBBRYSA-N 370.316 2.720 0 50 FFAA Cc1ccc2cc(NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)cnc2c1 2325784348 WFCUWSONWSADGY-OLZOCXBDSA-N 351.328 2.796 0 50 FFAA O=C1CC[C@@H](/C=C/CN2CCN(c3ccc(Br)cc3)CC2)O1 2325801570 NTASKNGQVRKTJG-XGBNDESESA-N 365.271 2.833 0 50 FFAA CCc1noc(COc2ccc(Oc3cncc(C(=O)OC)n3)cc2)n1 2325880035 RBSFXDATSIADCQ-UHFFFAOYSA-N 356.338 2.580 0 50 FFAA CCN(CC)[C@H](CNC(=O)N1CCc2ncncc2C1)c1ccsc1 883113753 CAVJUABOOABANY-QGZVFWFLSA-N 359.499 2.689 0 50 FFAA Cc1cc(=O)n([C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cn1 1469972 MMZJOKITLIJYJC-ZDUSSCGKSA-N 360.628 2.851 0 50 FFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1cc(=O)c2cc(F)ccc2[nH]1 2356169843 JAVLRIYXCBPKBT-OAQYLSRUSA-N 369.440 2.787 0 50 FFAA COc1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 8997152 USUKAGKPTXPQBR-UHFFFAOYSA-N 367.386 2.540 0 50 FFAA C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 10541746 UZLZBIQGZRSUNJ-CYBMUJFWSA-N 370.902 2.997 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)CCn2c(C)cc3ccccc32)n1 55098975 FIAAEWBBZXPDCC-CQSZACIVSA-N 356.426 2.789 0 50 FFAA Cc1cccc2c(CCNC3CCN(C(=O)[C@H]4CCCO4)CC3)c[nH]c12 67677612 FBUYNZXAGBVBNM-LJQANCHMSA-N 355.482 2.778 0 50 FFAA CCC[C@H]1COCCN1Cc1ccc(C(=O)Nc2c(C)cnn2C)cc1 65403494 DDMZVYAXHLWBPV-SFHVURJKSA-N 356.470 2.982 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 69443355 OYNATGWOGMYUJR-RMKNXTFCSA-N 353.470 2.567 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1ccccc1F 67921460 IGSGGHGRUPLJBL-OAQYLSRUSA-N 356.441 2.512 0 50 FFAA O=C([C@@H]1CCc2ccccc21)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 328893147 UHRSRBCRSMJEAY-WOJBJXKFSA-N 374.444 2.897 0 50 FFAA Cc1cnc(C(C)(C)NS(=O)(=O)N2CCc3ccccc3C2)s1 431887813 RJKDQOHQOAURAD-UHFFFAOYSA-N 351.497 2.579 0 50 FFAA COc1ccccc1OCC(=O)NCCCSc1nnc(C)s1 63847809 VNPOZGVISZQMQX-UHFFFAOYSA-N 353.469 2.533 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)c1ccc([C@H]2CCCO2)s1 65419943 YTKCBBWGYKJVGR-OAHLLOKOSA-N 369.446 2.740 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)C1 67974136 JHJIMQODXQRWCK-MRXNPFEDSA-N 364.453 2.881 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1F 439243986 FJXMEDNVWNGTAM-UHFFFAOYSA-N 350.350 2.859 0 50 FFAA COCc1noc([C@H](C)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 331826065 NFNVTAJIMQJHEH-VHSXEESVSA-N 359.352 2.899 0 50 FFAA Cc1nc(C2CCNCC2)cc(N2CCC[C@H](C(=O)c3ccccn3)C2)n1 39557807 HXHRBEHGIMNVSV-KRWDZBQOSA-N 365.481 2.746 0 50 FFAA COc1ccccc1C1(C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 284194132 SBMKWDIUXWNIRW-UHFFFAOYSA-N 354.381 2.791 0 50 FFAA CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1c[nH]c2ncccc12 128093083 ZZQQDEGYPPSYRQ-UHFFFAOYSA-N 370.478 2.984 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)c3cn4ccsc4n3)C2)c1 72144275 KPGWRRQAHOCARQ-ZDUSSCGKSA-N 355.419 2.799 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cnc4ccccn34)CC2)OC1=O 77287445 LBZIFIRXMBRYRG-OAHLLOKOSA-N 370.453 2.950 0 50 FFAA COc1cc(N2C[C@@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)ncn1 72138811 BAHNWFIVZOAJGL-ZLGUVYLKSA-N 366.465 2.560 0 50 FFAA Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 237659683 WDCMWZKWNFHMRR-HNNXBMFYSA-N 354.362 2.598 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 237955726 LGZSRFPPFHXXLG-HNNXBMFYSA-N 363.429 2.977 0 50 FFAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 241435178 NLJMVMJOKODJKV-GPMSIDNRSA-N 374.481 2.764 0 50 FFAA Cc1ncc(CN(C)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)s1 241884889 SYNWCOGWZXJDQA-YOEHRIQHSA-N 355.504 2.644 0 50 FFAA Cc1csc(N(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C2CC2)n1 151039765 RLENQIZLTWZCCL-UHFFFAOYSA-N 352.419 2.807 0 50 FFAA CCn1nc(C)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1Cl 152317177 OQLKMIOHTBVYRP-UHFFFAOYSA-N 368.909 2.630 0 50 FFAA OC[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(-c3ccco3)cc1)C2 218910672 UJVZMBWTTYHLBP-IBGZPJMESA-N 353.422 2.575 0 50 FFAA CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cn2cccnc2n1 215549398 AUNHCWGOLVLCGI-AWEZNQCLSA-N 352.394 2.658 0 50 FFAA OC1CCN(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)CC1 72430507 QNZWXHZILLIHDQ-UHFFFAOYSA-N 358.530 2.945 0 50 FFAA O=C1C[C@H](C(=O)N2CC=C(c3ccccc3F)C2)CN1Cc1ccco1 370068951 CPUWARCKEKQKRL-HNNXBMFYSA-N 354.381 2.693 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 218893383 ZLWOEZRSKZLHDO-IWMXFIMRSA-N 356.466 2.802 0 50 FFAA Cc1ccc(Sc2ccc(CN3CCN[C@@H](C(=O)NC4CC4)C3)o2)cc1 72157638 KVODAPACARMQPT-GOSISDBHSA-N 371.506 2.792 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1 20176933 DSPXVFJDILOWQP-UHFFFAOYSA-N 374.506 2.900 0 50 FFAA O=C(NC1CC1)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17076635 ZAQVOIXDPXEAFA-NWDGAFQWSA-N 374.462 2.735 0 50 FFAA CC[C@H](C)Oc1cccc(CN2CCn3nc(CNC(C)=O)cc3C2)c1 82139033 UBHXLAWOPILFAU-HNNXBMFYSA-N 356.470 2.712 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)NC[C@@H]3CCN(CC(C)C)C3)[nH]c2c1 426423196 ZJTYYJNGMLMOOJ-INIZCTEOSA-N 357.502 2.991 0 50 FFAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-c2ccccc2CO)cc1 426737585 YFXWBWNZCGTXAL-LJQANCHMSA-N 366.461 2.975 0 50 FFAA Cc1cc(N2CCN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2)cc(C)n1 82139126 PSGNRBNARADQBE-UHFFFAOYSA-N 366.465 2.816 0 50 FFAA CCCc1nnsc1C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 82097014 MQESHXKSZJZDGJ-UHFFFAOYSA-N 364.858 2.633 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncccc1Cl)C2 95529496 JKOMLWSSLQQLJN-UONOGXRCSA-N 360.845 2.967 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cccnc2N(C)C)C1 97553205 MTNBJBILUPIAMY-QGZVFWFLSA-N 352.482 2.675 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cccnc2)CC1 91644733 ZTMCNTJMRFKSCQ-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1c[nH]c(=O)c(Cl)c1 91755610 UGTRKMOFPKMUAO-NSHDSACASA-N 369.812 2.680 0 50 FFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 95379217 KDLFPVWUCSQZLU-LJQANCHMSA-N 363.461 2.631 0 50 FFAA Cc1cccc([C@H](NC(=O)C2CCN(C3CCN(C)CC3)CC2)C2CC2)n1 97076201 ICTFPMHUJRWTQW-OAQYLSRUSA-N 370.541 2.764 0 50 FFAA O=C(CCCc1cn[nH]c1)NC1CCN(C(=O)Nc2ccccc2)CC1 96138880 IBBGKAGYHVXQMT-UHFFFAOYSA-N 355.442 2.545 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCNC(=O)c3cccnc3)c2c1 95523387 IBVUWTLGBNQCMD-UHFFFAOYSA-N 362.433 2.715 0 50 FFAA Nc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 95374380 MKEVGWBLMFDUFL-DFQSSKMNSA-N 366.440 2.505 0 50 FFAA NS(=O)(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nccs2)c1 95523920 WUICPWHXSFMYEK-ZDUSSCGKSA-N 366.468 2.550 0 50 FFAA C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2s1)N1CCN(C)CC1 182772123 NAZBVRKULPQVDY-HOCLYGCPSA-N 358.511 2.596 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)C3CCS(=O)(=O)CC3)c2c1 91819129 KCHPLBQDCPGOBP-UHFFFAOYSA-N 362.495 2.671 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244882615 XVBRTSKSMSEZHI-TYPHKJRUSA-N 350.462 2.685 0 50 FFAA C[C@@H]1C[C@H](c2ccccc2)n2nc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc2N1 245247567 WEJNRRKULRNDDB-DTZQCDIJSA-N 363.421 2.527 0 50 FFAA Cc1[nH]ccc1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 299744111 RABLTZYAYVSICC-UONOGXRCSA-N 350.216 2.741 0 50 FFAA COc1cc(C(=O)N2CCN(C[C@@H](O)CC3CCCC3)CC2)ccc1C 252493975 NHVZSSBDAFUQAH-IBGZPJMESA-N 360.498 2.703 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2nc(O)c3sccc3n2)C1 253536787 OSHWLVGBYPRPMC-GFCCVEGCSA-N 354.435 2.887 0 50 FFAA O=C(NCC1(CO)CCOCC1)c1ccc(-c2cnn3ccccc23)cc1 534653650 PZXLCYRVNWZYJL-UHFFFAOYSA-N 365.433 2.520 0 50 FFAA COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(C(=O)O)s1 262574046 DBAIYGVZJZZVJC-UHFFFAOYSA-N 374.418 2.943 0 50 FFAA Cc1cc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)ccc1F 1940195912 VWIZWEANCXLWCS-WIYYLYMNSA-N 371.408 2.655 0 50 FFAA Cc1cc2nc(CN(C)C(=O)c3nc(N)nc4c3CCCC4)[nH]c2cc1C 299795168 KUQQOIRZTZXVJA-UHFFFAOYSA-N 364.453 2.703 0 50 FFAA Cc1nn2cc(CNC(=O)c3ccc(CN4CCC(C)CC4)o3)nc2s1 299800020 UMYFPFPZWTYKBP-UHFFFAOYSA-N 373.482 2.854 0 50 FFAA C[C@H](Cc1cccnc1)NC(=O)CCSc1nnc(-c2ccncc2)o1 827992542 XWZOINRECOZVTD-CYBMUJFWSA-N 369.450 2.756 0 50 FFAA Cc1cc(-c2ccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2)c(O)nn1 584885989 QMYZIBMFMVIDSS-LLVKDONJSA-N 351.410 2.550 0 50 FFAA COCc1nc([C@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@@H]2C2CC2)n[nH]1 952848516 OHSCJLLPLDVZFA-CABCVRRESA-N 358.417 2.664 0 50 FFAA COc1ccc([C@@H]2CCN(C(=O)c3ccnc(N4CC[C@@H](C)C4)c3)C2)cn1 1875265698 YEXLPAKRLKLRLG-CRAIPNDOSA-N 366.465 2.961 0 50 FFAA Cc1nc2ccccc2n1CCCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875393566 OSMZPZNFRHDUNA-OLZOCXBDSA-N 367.453 2.910 0 50 FFAA Cc1nc(=N[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)CCC2(F)F)s[nH]1 1875407623 DZOJIXRNLGDNOX-VXGBXAGGSA-N 358.458 2.743 0 50 FFAA CCN(CCN(C)C)S(=O)(=O)c1ccc(-c2c(C)noc2C)s1 952974138 HRPCGSVEOUNFDN-UHFFFAOYSA-N 357.501 2.592 0 50 FFAA O=C(CN1CCCCCC1)NC1CCN(C(=O)Nc2ccccc2)CC1 952980201 YMXLYLYYOGFEMB-UHFFFAOYSA-N 358.486 2.675 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cnc(-c4cccnc4)nc3)cc2[nH]1 952968631 NRTHXYBQYIUCGX-LLVKDONJSA-N 360.377 2.721 0 50 FFAA C[C@@H]1COCCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 274539059 ZROTVDBGSXPDDN-SNVBAGLBSA-N 352.232 2.861 0 50 FFAA COc1ccnc(N2CCC3(CC2)C[C@H]3N(Cc2ccsc2)C(C)=O)n1 275743894 PWPLKNPFTUPJNX-MRXNPFEDSA-N 372.494 2.954 0 50 FFAA Cc1c(C(=O)NCCn2c(C)nnc2S)sc2cccc(F)c12 170641395 QYHLXDKRDWHILG-UHFFFAOYSA-N 350.444 2.967 0 50 FFAA Cc1ccc2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)n2n1 170607787 VJCWOYQPBOXCNV-UHFFFAOYSA-N 357.417 2.881 0 50 FFAA CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1 170782755 BMDXVSYKSZLKJP-CQSZACIVSA-N 372.494 2.830 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C12CCOCC2 225364873 WJPGCNSWGBHSCZ-GUDVDZBRSA-N 359.466 2.697 0 50 FFAA Nc1ncc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl 194651117 HWXNKDKICJLGFI-UHFFFAOYSA-N 362.836 2.804 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(c3ccc(-c4ccccc4)nn3)C[C@@H]12 1704339346 JDEWBWNYAMHVKS-XLIONFOSSA-N 352.438 2.519 0 50 FFAA O=S(=O)(Cc1ccccc1CN1C[C@H]2C[C@@H](O)C[C@H]2C1)c1ccccc1 1775983752 AFWIEYQWNWUJNZ-ACDBMABISA-N 371.502 2.863 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H]2CNC[C@@]2(CO)C1 1772710111 OKLVSYQZVJIUHI-DJJJIMSYSA-N 360.841 2.562 0 50 FFAA COc1ccc(C)cc1NC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772710382 QIRFBIUBUFOFTE-INIZCTEOSA-N 353.422 2.579 0 50 FFAA O=C(CCN1CCCO1)N[C@@H]1CCCc2c1cnn2-c1ccccc1F 12093943 BPAGREQCQBOURS-MRXNPFEDSA-N 358.417 2.532 0 50 FFAA O=C(C[C@H]1C(=O)NCCN1CC1CCCCC1)NC1(c2ccccc2)CC1 12208007 XDBPDLVKDWNUPI-IBGZPJMESA-N 369.509 2.563 0 50 FFAA O=C(CCN1CCCCO1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12587743 KFKYMIQQBQSJOW-OAHLLOKOSA-N 353.413 2.785 0 50 FFAA O=C(CCCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13331313 LZQIHWXMCZBSJI-UHFFFAOYSA-N 372.490 2.542 0 50 FFAA O=C(NCc1ccncc1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15075782 RXUWMEHOOFMWBS-QGZVFWFLSA-N 371.868 2.833 0 50 FFAA CC[C@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1 16603386 VQTMYJLNTVHMHN-HNNXBMFYSA-N 355.276 2.817 0 50 FFAA O=C1NC(=O)[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 169305307 VTOLQEMXZUTSMA-QYRGKVFSSA-N 369.846 2.721 0 50 FFAA CC(C)n1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 626376 STILSBDVTYHTQX-UHFFFAOYSA-N 364.858 2.950 0 50 FFAA aggregator O=C(CCc1cccs1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 216903049 NLUXFOZZJMEOBX-WBVHZDCISA-N 369.490 2.725 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 225431260 JPANNJNAIFRHMU-HXUWFJFHSA-N 372.852 2.705 0 50 FFAA C[C@H](NC(=O)c1ccnc(C(=O)O)c1)c1ccc(NC(=O)C2CC2)cc1 262606675 KNZHMIWNNNRJTJ-NSHDSACASA-N 353.378 2.619 0 50 FFAA C[C@](CNC(=O)c1ccc2c(c1)OCCCO2)(C(=O)O)c1ccccc1 263266620 HMMUYJSNTMVSBM-HXUWFJFHSA-N 355.390 2.620 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CSCN1C(=O)C1CCCC1 162280075 OEYOKCCCLAUTEV-HZPDHXFCSA-N 366.527 2.686 0 50 FFAA Cc1cnc([C@]2(NC(=O)c3cc(C(F)(F)F)ccc3F)CCOC2)[nH]1 818672911 ZQXXHMSTBSBHJO-HNNXBMFYSA-N 357.307 2.922 0 50 FFAA CCCOc1cc(Cl)c(CN2CCC(N3CC(O)C3)CC2)cc1OC 2100534320 CLYFMQQVJZJOIO-UHFFFAOYSA-N 368.905 2.778 0 50 FFAA O=C(c1ccc(CCc2ccccc2)cc1)N1CCN[C@H](c2cn[nH]c2)C1 2325769954 ZXBKGGUVWDXSRU-NRFANRHFSA-N 360.461 2.982 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2C[C@@H](C(=O)O)CC(F)(F)C2)cc1 2325773407 UMEUIRKZGPOTKH-LBPRGKRZSA-N 351.353 2.627 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@](O)(C4CCNCC4)C3)cc2)c1C 2325801820 XRIYCEYBTIVSTK-NBEIKUQISA-N 368.481 2.568 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 2325888732 VNRJRIHRCYIJEA-MRXNPFEDSA-N 352.438 2.852 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 864512724 MQXSAMOCYFYMDU-UHFFFAOYSA-N 371.481 2.576 0 50 FFAA O=C(O)C[C@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 926470261 RGDOZMGGSMMYDW-GFCCVEGCSA-N 366.464 2.686 0 50 FFAA Cc1cc(Br)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 1159250 UVNJSFHTSLYISG-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6742627 XIVKBHMAJIFYJK-GUMHCPJTSA-N 370.493 2.510 0 50 FFAA CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 10302621 ASNOOFCIUXCOCQ-INIZCTEOSA-N 352.500 2.812 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173693950 TWCNIRPXXQSGEQ-MGPQQGTHSA-N 351.237 2.820 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NC(C)(C)c1nnc(N)s1)(C3)C2 102709945 HQPRTWKDGBYZMO-JZDMUPLMSA-N 364.515 2.583 0 50 FFAA O=C1O[C@@H]2CN(Cc3cccc4cnccc34)C[C@@H]2N1CCc1ccccn1 55036364 NHLZVCJCWBZWMX-LEWJYISDSA-N 374.444 2.878 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 421949744 MYPVNUUMOLRJFD-MRXNPFEDSA-N 353.422 2.789 0 50 FFAA CCn1c([C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)nn(C)c1=O 67880346 VNQTZDRCGJKPCL-INIZCTEOSA-N 370.497 2.919 0 50 FFAA Cc1nc(CNC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)no1 173556952 BPKNKFGQMFYNET-CYBMUJFWSA-N 371.224 2.968 0 50 FFAA O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 249048499 HYAJGSUIQOSZSM-DFBDCSAJSA-N 351.454 2.891 0 50 FFAA Cc1cc(F)c(S(=O)(=O)N2CCC(Cn3cccn3)CC2)cc1F 122290710 AASCIZZLAUQIMM-UHFFFAOYSA-N 355.410 2.571 0 50 FFAA CCN1C[C@@H](C(=O)NCc2cccc(OCc3ccccc3)c2)CC1=O 68086300 QCLRCTWUJOYOMI-SFHVURJKSA-N 352.434 2.750 0 50 FFAA CN(C[C@@H]1CCCNC1)C(=O)c1cc(COc2c(F)cccc2F)on1 67946554 KWBPZISKOUAYDB-GFCCVEGCSA-N 365.380 2.603 0 50 FFAA O=C(NCCc1cccc(O)c1)Nc1cccc(N2CCCNC2=O)c1 174192337 YAXICTCMTKHMSR-UHFFFAOYSA-N 354.410 2.676 0 50 FFAA O=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 332804189 MMVFMWQCIVTLMX-GHTZIAJQSA-N 367.449 2.886 0 50 FFAA C[C@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252457456 KNSTXVBEHUQNDA-PYXYIPKBSA-N 373.453 2.663 0 50 FFAA Cc1nc[nH]c1CN1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1 72169883 LOEDKERTDPIIIA-UHFFFAOYSA-N 368.407 2.973 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)n2)cc1 237511579 WNTLMYWCWWZJAI-CQSZACIVSA-N 357.410 2.598 0 50 FFAA O=C(Nc1cccc(N2CCCC2=O)c1)N[C@H](CO)Cc1ccccc1 71926592 LOSMUWXIHOCPFG-KRWDZBQOSA-N 353.422 2.539 0 50 FFAA Cc1ccccc1N(CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 242389321 ZWFKSRPMBPKKOE-LUKYLMHMSA-N 364.511 2.702 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCC(O)(c2ccc(F)cc2)CC1 215647015 CUUAGAXNQMNEAW-UHFFFAOYSA-N 366.396 2.530 0 50 FFAA CC(C)C(=O)NC[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 363502266 JQMYBGQCAWUHHK-CQSZACIVSA-N 360.433 2.860 0 50 FFAA c1ccc([C@@H](NCc2nnnn2CC2CCOCC2)C2CCCC2)nc1 365637134 SXPJBJSRBKVGBZ-IBGZPJMESA-N 356.474 2.516 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(-c2ccncc2)n[nH]1 72427342 KYNRAXLITSYION-UHFFFAOYSA-N 358.405 2.930 0 50 FFAA c1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1 77486625 WVCBCNGHMZDACV-UHFFFAOYSA-N 352.486 2.988 0 50 FFAA CC(C)NC(=O)CSc1ccccc1C(=O)N1CCC[C@@H]([C@H](C)N)C1 156195945 IAZNXPSJOXHJJH-LSDHHAIUSA-N 363.527 2.503 0 50 FFAA CN1CCC(N(CC(=O)N2CCc3ccccc32)Cc2ccncc2)CC1 77472165 VYGPAZLFBFKYQV-UHFFFAOYSA-N 364.493 2.567 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cn(-c2ccccc2)nn1 72167952 AIYVFXYZGNPJHI-HNNXBMFYSA-N 365.412 2.663 0 50 FFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCC4(CC3)C[C@@H]4C(=O)O)c12 263290270 WAHGXNJDBJYMTB-CYBMUJFWSA-N 357.410 2.982 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)cc(=O)[nH]1 72145176 AYOXAAMQFPZDCS-LBPRGKRZSA-N 361.829 2.840 0 50 FFAA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 263366837 WJBKBKIMDBHUQW-CANCMXDXSA-N 359.447 2.884 0 50 FFAA COc1ccc(C2(C(=O)NCc3csc(-c4cnccn4)n3)CC2)cc1 222602093 OZMMTQJWMYBMMP-UHFFFAOYSA-N 366.446 2.957 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCO[C@H](CN2CCCCC2)C1 220453644 AMHOZZCSGYMVEW-MRXNPFEDSA-N 350.434 2.551 0 50 FFAA O=C(CN1C(=O)CCC2=C1CCCC2)N1CCC(O)(c2ccccc2)CC1 20539192 FEBWVUZRULISSW-UHFFFAOYSA-N 368.477 2.947 0 50 FFAA CCc1nccn1CCC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 82120675 DPLJNNDDVJADFA-KRWDZBQOSA-N 355.486 2.848 0 50 FFAA O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-c2cccc(F)c2O)cc1 426504158 YDNNUORGGJUXFI-QGZVFWFLSA-N 372.440 2.775 0 50 FFAA COc1ccccc1-c1noc(CCCC(=O)NCc2cc(C)on2)n1 223096688 DESHYTTWXRJSCL-UHFFFAOYSA-N 356.382 2.681 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)NCc1nc(O)c2ccccc2n1 426536275 LHYLQMKMQQTWAI-HNNXBMFYSA-N 367.409 2.987 0 50 FFAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cccc(-c2cnc(N)cn2)c1 426493153 JDXGFTCRSKOCSK-UHFFFAOYSA-N 364.409 2.649 0 50 FFAA CSc1nnc(CC2CCN(Cc3cnc(N(C)C)s3)CC2)n1C 82126114 VNRVZSICCBVMBC-UHFFFAOYSA-N 366.560 2.514 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)C1(c3ccc(C)cc3)CC1)CC2 426502884 KDNJFYHPWYULPW-CNNODRBYSA-N 373.493 2.574 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nccn4C)C3)n[nH]2)cc1 95506083 ONMTZGKZQLYTPT-OAHLLOKOSA-N 365.437 2.839 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)NCc1nncn1CCc1ccccc1 91997144 QUOZXHGYGULXPN-UHFFFAOYSA-N 366.469 2.791 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)Cc2cc(O)c3cc(C(N)=O)ccc3n2)c1 91603608 FRRZBCAFPCRDBS-CQSZACIVSA-N 364.449 2.806 0 50 FFAA Cc1ccccc1CCC(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1 91351232 PUDVACUUYFYHMW-UHFFFAOYSA-N 372.509 2.541 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CC[C@@H](Cc4ccc(CO)cc4)C3)cc2n1 95361814 LYBRSXMHIGAKNE-SFHVURJKSA-N 364.449 2.543 0 50 FFAA O=C(O)COc1ccc(-c2ccccn2)cc1CN1CCC[C@H](O)CC1 97756312 BWIDFXWCBOMSJF-KRWDZBQOSA-N 356.422 2.559 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)ccn1 92080761 ZESRSKHXJMEUHW-HXUWFJFHSA-N 351.450 2.823 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccn1C1CC1)CC2 91988048 LKQJMUGDYBRRNK-UHFFFAOYSA-N 353.470 2.556 0 50 FFAA Cc1ccc2nc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)cn2c1 91425613 KUHXZZFITYEKGO-LJQANCHMSA-N 363.465 2.995 0 50 FFAA COc1cc2c(cc1OC)CN([C@H](C(=O)O)c1ccc(N)c(F)c1)CC2 95378760 RPNCUPOKZZPGAG-SFHVURJKSA-N 360.385 2.609 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 244873201 WLRFKLPEBSHBIK-HNNXBMFYSA-N 365.393 2.555 0 50 FFAA c1coc(-c2noc(CN3CCN(C4Cc5ccccc5C4)CC3)n2)c1 252494840 OGIUIAQUDHLRIT-UHFFFAOYSA-N 350.422 2.615 0 50 FFAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)[C@H](C)Cn1cncn1 1940196269 XCKCFJMELPJTPG-CYBMUJFWSA-N 358.833 2.760 0 50 FFAA O=C(Nc1ccc(Cl)nc1)N1CCN(Cc2ccccc2CO)CC1 299799225 VZBNEUDVJCKUEB-UHFFFAOYSA-N 360.845 2.577 0 50 FFAA CN(C)c1cccc(-c2cccc(C(=O)N3CCC[C@@H](C(N)=O)C3)c2)c1 299774730 IWOAGNBIJBFCMN-GOSISDBHSA-N 351.450 2.757 0 50 FFAA CCNc1nc(C)c(C(=O)NC2CCN(Cc3ccccn3)CC2)s1 299782356 UVBFESUNFAEYAT-UHFFFAOYSA-N 359.499 2.673 0 50 FFAA CCN(Cc1ccncc1)C(=O)[C@H]1CC(Cc2ccc(OC)cc2)=NO1 299759454 RPJRTFAEGPWDTB-LJQANCHMSA-N 353.422 2.826 0 50 FFAA CNC(=O)c1cc(NC(=O)NC[C@@H](C)n2nc(C)cc2C)ccc1Cl 299772371 ZVJUIMWAVLVJHN-GFCCVEGCSA-N 363.849 2.896 0 50 FFAA NCC[C@@H]1CCCCN1C(=O)c1cnn2c(-c3cccs3)ccnc12 952845579 WXGJESPOBPHZFW-ZDUSSCGKSA-N 355.467 2.801 0 50 FFAA Cn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)C3CCC(C4CC4)CC3)CC1)O2 1875394531 LMVNCVRECWVWOH-JCYILVPMSA-N 373.497 2.814 0 50 FFAA C[C@H](N=c1[nH]c2c(F)cccc2n1C)C(=O)N1c2ccccc2C[C@@H]1C 1875331295 CRHBCNARFBSKDV-STQMWFEESA-N 352.413 2.913 0 50 FFAA O=C(NC[C@]12CCCC[C@@H]1N(c1nnc(C(F)F)o1)CC2)[C@@H]1C[C@@H]1F 1875405104 QXVLTPUJFCQQAS-KALYDTEFSA-N 358.364 2.621 0 50 FFAA COc1nc(C)cc(N2CC[C@@]3(CCCC[C@H]3NC(=O)[C@@H]3C[C@H]3C)C2)n1 1875408252 ROHCSPHPLSWRGH-CQNRTFJUSA-N 358.486 2.705 0 50 FFAA Cn1ccc(C(=O)N2CC[C@]3(CCCC[C@@H]3NC(=O)[C@H]3CC3(C)C)C2)c1 1875407842 IWMWMDJDJTZBFN-LLGFUMIMSA-N 357.498 2.962 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(CN2CCCC2)o1 952972131 ZKYYQGUVQWGXMF-INIZCTEOSA-N 367.449 2.658 0 50 FFAA CCn1cc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cn1 275221132 BWPWPNIHFOYTQM-MRXNPFEDSA-N 370.457 2.583 0 50 FFAA CC(C)Oc1c(F)cc(NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1F 408048224 WEKLGMDHDTVEPS-JKSUJKDBSA-N 369.412 2.689 0 50 FFAA C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597173 MWWSYVKQKLHYGK-LLVKDONJSA-N 371.470 2.938 0 50 FFAA Cc1csc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)n1 170804239 ZRWUWRLMOBFDJL-GXTWGEPZSA-N 359.451 2.639 0 50 FFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1 282049535 ADUVKEYZGXKFPF-KRWDZBQOSA-N 364.449 2.718 0 50 FFAA COCCN(C)c1ccc(CN2CCOC[C@H]2c2nc(C)cs2)cn1 191536721 NZCNUZCWZPMXLI-INIZCTEOSA-N 362.499 2.503 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)Cc2ncccc2C)CC1 1506405535 MYTSSBUYCVCJCG-UHFFFAOYSA-N 366.509 2.883 0 50 FFAA Cc1ncc(C(=O)Nc2nnc(CCN(C)C)s2)c(-c2ccccc2)n1 1506427860 UCZQSRXAQFCOAT-UHFFFAOYSA-N 368.466 2.660 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)CC(=O)Nc1cc(Cl)ccc1C 1506407877 SNYBQHQZPXYKGW-GFCCVEGCSA-N 363.849 2.856 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529113499 FNVVWKQMFWKNIP-FZKQIMNGSA-N 369.371 2.584 0 50 FFAA O=C([C@H]1Cc2ccccc2CN1)N1CCC2(CC1)OCCc1sccc12 1704339399 SEZPDLLPHBVYPH-GOSISDBHSA-N 368.502 2.853 0 50 FFAA Cc1cc(C)nc(SCC(=O)N2CCC(Cc3ccc(O)nc3)CC2)n1 1772819930 XYSAZQWQODRCNM-UHFFFAOYSA-N 372.494 2.767 0 50 FFAA CC(C)(C)CN1C[C@H]2CN(CCc3c[nH]c4ccccc34)C[C@]2(CO)C1 1772806351 WYAJVXQKQBTYNI-XMSQKQJNSA-N 355.526 2.983 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CC12CCOCC2 1775977251 ILYXZSBYAIVXJE-GOSISDBHSA-N 372.465 2.630 0 50 FFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCCC3)cc2)CC1 12456549 VMPQJNDOTBIFHR-UHFFFAOYSA-N 374.481 2.719 0 50 FFAA C[C@H]1CN(CCOCCOc2cccc(Br)c2)C[C@@H](C)O1 16247430 FLXJVWILFSFRFZ-OKILXGFUSA-N 358.276 2.954 0 50 FFAA CC1(C)Cc2c(sc3nc(CCc4ccccc4)n(N)c(=O)c23)CO1 1072569 HRYBTYVCBAWAAC-UHFFFAOYSA-N 355.463 2.808 0 50 FFAA CC(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 4977011 XGWNUWBVLZZWRF-UHFFFAOYSA-N 350.415 2.546 0 50 FFAA COc1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3ccc(C)cc3C)=N2)cc1 5812149 ASTGQECNPQZTOQ-QGZVFWFLSA-N 366.421 2.607 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1C 1111029 BLSVVIOQXLSCCD-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1ccc(C)cc1N(CC(=O)NC1CCCCCC1)S(C)(=O)=O 1142924 KRRRMQDQPUKBNA-UHFFFAOYSA-N 368.499 2.609 0 50 FFAA COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2C1=O 2334484 GNTVBBSIXCYAHQ-UHFFFAOYSA-N 356.353 2.711 0 50 FFAA O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 2874528 FVGXLTJRNWAZBJ-CYBMUJFWSA-N 370.430 2.704 0 50 FFAA COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 1466629 OLNBPQKQQUDPCM-UHFFFAOYSA-N 368.389 2.719 0 50 FFAA O=C(NC[C@H]1CCn2ccnc2C1)Nc1cccc(=Nc2ccccc2)[nH]1 1857527472 QHPMWEARCVQTIO-HNNXBMFYSA-N 362.437 2.828 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1cccc2c1CCOC2 1857527480 VAEDQSIIXBFLPC-ZWKOTPCHSA-N 354.454 2.567 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CNc1cccnc1)CC2 1857673277 RJFUJYARTDESTG-UHFFFAOYSA-N 361.449 2.521 0 50 FFAA CC(C)=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCC(F)(F)F)C2)C1 1857688294 AZAFDDBQWQCQKR-NVXWUHKLSA-N 362.436 2.971 0 50 FFAA CN(CCN1CCC[C@H]1C(=O)Nc1nccs1)Cc1ccc(F)cc1 241588360 PCJCOXHGNUFQHF-INIZCTEOSA-N 362.474 2.817 0 50 FFAA COc1ccccc1CNC(=N)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 849104385 OUMCIDYWNPVCBS-XLIONFOSSA-N 357.429 2.614 0 50 FFAA COCC[C@@H]1COCCN1c1nc(-c2ccccn2)nc2sccc12 858551824 AFXLPKUYOZQTCL-CYBMUJFWSA-N 356.451 2.995 0 50 FFAA Cn1cnc2nc(=NCC[C@H]3CCCCN3Cc3ccccc3)[nH]cc21 2100482241 KRPNAXNYEBCUNJ-QGZVFWFLSA-N 350.470 2.642 0 50 FFAA COc1ccc2cc(C(=O)N[C@](C)(CC(=O)O)c3ccncc3)n(C)c2c1 2325769379 BOWZXDMBRFHEFH-HXUWFJFHSA-N 367.405 2.702 0 50 FFAA Cc1nn2c(c1C(=O)N(C)C1CCN(c3ccccn3)CC1)CCCC2 2325805614 WSJPACMNKBODFO-UHFFFAOYSA-N 353.470 2.664 0 50 FFAA CNC(=O)C[C@H]1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356140456 JQJNITIAWWKWSW-SNVBAGLBSA-N 363.801 2.656 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)Cc3nnc(-c4cccc(F)c4)o3)C[C@H]2CC1=O 2356148426 VQHSTJJLVAIBGQ-LZWOXQAQSA-N 358.417 2.564 0 50 FFAA CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 2520829 LEHIVUIWNLXQSQ-UHFFFAOYSA-N 372.494 2.683 0 50 FFAA Cc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 3071470 SUCPVPQXWNQMRW-UHFFFAOYSA-N 360.479 2.963 0 50 FFAA O=C(O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 6091129 GQQIAHNFBAFBCS-UHFFFAOYSA-N 353.733 2.686 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)s1 55166973 YSLRJLZGBYPUEI-IBGZPJMESA-N 362.470 2.839 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1noc(CC)n1 55153361 IXYINOYEPJPUJD-UHFFFAOYSA-N 350.806 2.906 0 50 FFAA C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1-n1cccn1 65418862 GIIJSBJEAUPJDR-OAHLLOKOSA-N 358.405 2.944 0 50 FFAA CC1(C)CNCCN1Cc1cccc(C(=O)Nc2ccc(CCO)cc2)c1 65369828 VCYUIIWDGUIMJJ-UHFFFAOYSA-N 367.493 2.658 0 50 FFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1cccc(-n2cccn2)c1 65428475 QGHJLBWQAAMOST-SFHVURJKSA-N 350.422 2.681 0 50 FFAA COc1ccc(Cc2c(C)nc(N[C@@H]3CCCCNC3=O)nc2C)cc1 170597247 OYGLBRPVZMIQBP-GOSISDBHSA-N 354.454 2.773 0 50 FFAA O=C(c1cc(CN2CCc3ccccc3C2)on1)N1CCCC[C@@H]1CCO 67896403 NTLLLRUXXQRGGJ-GOSISDBHSA-N 369.465 2.610 0 50 FFAA CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccn(C)c1=O 470709820 NSGCRWKYWZTZPF-UHFFFAOYSA-N 350.422 2.624 0 50 FFAA CCSc1ncc(CN2CCN(CCOc3ccccc3)CC2)cn1 215731785 VIASDCFFCPQNEY-UHFFFAOYSA-N 358.511 2.785 0 50 FFAA Cc1nn(CC(=O)Nc2cccc(F)c2)c(C)c1I 1429826 SJALBGLFGYBMOM-UHFFFAOYSA-N 373.169 2.882 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CN(C[C@H]1CCCO1)C[C@H]1CCCO1 252457155 GCFSLWGGPFQEFD-BHIYHBOVSA-N 358.482 2.624 0 50 FFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCc3ccccc3)C2)c1 5030529 LHIBFYBBJYFEBZ-LJQANCHMSA-N 354.406 2.556 0 50 FFAA biogenic Cn1ccnc1C[C@@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 120094612 RJKVOOSVXXBQRK-HNNXBMFYSA-N 371.485 2.875 0 50 FFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccccc2)C(C)C)C1 230070017 JYNZTVOFTHEATH-MSOLQXFVSA-N 366.527 2.952 0 50 FFAA CCOc1cc(CN2CC(=O)N[C@H]3CCCC[C@H]32)cc(Cl)c1OC 230090695 XEUXCDKBNJSBGC-LSDHHAIUSA-N 352.862 2.990 0 50 FFAA O=C(COc1ccc(Cl)cc1)N[C@H]1CCCN(Cc2cccnc2)C1 219934445 ZCPOOASZHJOYHU-KRWDZBQOSA-N 359.857 2.895 0 50 FFAA Cc1nonc1[C@H]1CCCN1Cc1c[nH]nc1-c1ccc2c(c1)OCO2 12316901 UTCNUCRRHQJNFB-CQSZACIVSA-N 353.382 2.834 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2ccnc(C3CC3)n2)CC1 328651112 VVZXNRUUWQAILX-GOSISDBHSA-N 366.469 2.552 0 50 FFAA CCn1cccc(CNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1=O 434275149 GOSGQYCYKGNLQD-LPHOPBHVSA-N 369.465 2.835 0 50 FFAA Cc1nc([C@H](NCc2cccnc2C)c2ccc3c(c2)OCCO3)no1 369488761 YCNBZBJTEBAZSF-GOSISDBHSA-N 352.394 2.732 0 50 FFAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 263098279 ILXGTQCKTUQOMD-STQMWFEESA-N 366.845 2.562 0 50 FFAA O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1C[C@@H](O)C2(CC2)C1 375289529 SEHFYLIKFVQMKG-QGZVFWFLSA-N 357.356 2.793 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCn2cncc2C1 332852342 XOJXJCKGJRUDGS-STQMWFEESA-N 362.836 2.633 0 50 FFAA Cc1nnc(CN2CCC3(CC2)CN(C[C@H](C)c2ccccc2)C(=O)O3)o1 77504785 XJJWJXGLNNLOHB-HNNXBMFYSA-N 370.453 2.969 0 50 FFAA CC(C)[C@@H]1CN(Cc2nccn2C)CCC(=O)N1Cc1ccc(F)cc1 71730580 OHYYMWKOAATGPU-SFHVURJKSA-N 358.461 2.818 0 50 FFAA Cc1cc(C2CCC2)nc(NC[C@@H](c2ccccn2)N2CCOCC2)n1 71575842 OLILRLMJSLHOAA-IBGZPJMESA-N 353.470 2.933 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 47977134 KRLDGZGKXJYZRG-LLVKDONJSA-N 354.248 2.781 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(Br)cc32)C1 40283668 QOYAPMTXYLIBTE-GFCCVEGCSA-N 365.227 2.727 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82087925 ZWYVVHKGAXDQQC-CQSZACIVSA-N 350.422 2.598 0 50 FFAA CN1CCN(c2ccc(NC(=O)c3cnc(-c4ccco4)s3)nc2)CC1 171530912 WQNPYPFPKOWHQH-UHFFFAOYSA-N 369.450 2.802 0 50 FFAA C[C@@H](C(=O)N1CCc2ccccc21)N(C)C[C@H]1COc2ccccc2O1 239306044 GIZOASJLYNSRGY-RDJZCZTQSA-N 352.434 2.736 0 50 FFAA O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 240454680 FYBNWBFMNMURFH-KRWDZBQOSA-N 360.816 2.939 0 50 FFAA CC(C)[C@H](C)NC(=O)C1CCN(c2ncnc3c2ncn3C2CC2)CC1 241383197 MTGWAERGKKHWDY-ZDUSSCGKSA-N 356.474 2.538 0 50 FFAA NC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F 171974621 FUSNCSNTHSUVQJ-GOSISDBHSA-N 365.408 2.919 0 50 FFAA CNc1nc(-c2cccc(C(=O)N[C@H](C)c3c(C)n[nH]c3C)c2)ncc1F 426545154 WDAMZWBSRGYMLY-SNVBAGLBSA-N 368.416 3.155 0 50 FFAA CCCCCC(=O)Nn1c(=S)[nH]c2sc(C(=O)O)c(C)c2c1=O 17073472 JSUDFAJPYQIRQK-UHFFFAOYSA-N 355.441 2.778 0 50 FFAA O=C(CCc1cccnc1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82133956 UYCVKINMRPZRKX-UHFFFAOYSA-N 367.497 2.675 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccccc3OC)C(=O)C2)c(C)c1 82138759 ZKLHRXOFFQRYDL-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA CCN1CCO[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)C1 173853897 CZMFRYZNEJBYSX-FQEVSTJZSA-N 372.440 2.742 0 50 FFAA CCSc1nc(CC(=O)N2CCC[C@H](c3nccn3C)C2)cs1 82145709 WAFHMSULFYGWEU-LBPRGKRZSA-N 350.513 2.937 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc(=O)[nH]c2)C1 91914523 FYEFWNUTBMKNSU-FQEVSTJZSA-N 354.406 2.589 0 50 FFAA Cc1nc(CN(C)C[C@H]2CCCN(CCc3ccccc3C)C2)n(C)n1 95503149 CRKPSAGONSLKJO-LJQANCHMSA-N 355.530 2.818 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CC[C@H](O)c1ccccc1 97743030 RUZSLEWQMCDRFH-IBGZPJMESA-N 369.465 2.905 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@@H](c3nccn3C)C3CC3)[nH]n2)c1 91364611 VRGLSBJMEWIRIX-QGZVFWFLSA-N 351.410 2.700 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2cccc(C(F)(F)F)c2)on1 95385077 NCUZNJSEEICYGB-CJNGLKHVSA-N 368.355 2.918 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2cc(C(C)=O)cn2C)C[C@H]1C(=O)O 91770622 QUMQZNRQQNLNDY-ZWKOTPCHSA-N 356.422 2.537 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(NCc3c(C)noc3C)CC2)cc1 237831588 XAPUUSPIAZRJLP-UHFFFAOYSA-N 363.483 2.543 0 50 FFAA CC(C)n1cnnc1CN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 244872890 WGHVTBITNZUEFN-LJQANCHMSA-N 357.502 2.582 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cncc(-c3ccccc3)c2)C1 293486217 XWGNZALXTKLEER-OAHLLOKOSA-N 358.463 2.645 0 50 FFAA O=C(NCC1CCCCC1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616083 GWGRCDQRYSCKIV-QGZVFWFLSA-N 358.417 2.999 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Nc2cnccn2)c1 299742015 AQWNRXKMCGVNEI-SFHVURJKSA-N 374.400 2.872 0 50 FFAA O=C(Nc1cccc(-n2cnnc2)c1)N1CCN(C2CCCCC2)CC1 299768421 UYNPBRLFRXICOB-UHFFFAOYSA-N 354.458 2.750 0 50 FFAA O=C(CSc1ccc(Cl)cc1)NCc1noc([C@@H]2CCCO2)n1 299767117 FDDRSFJYCYDUDI-LBPRGKRZSA-N 353.831 2.983 0 50 FFAA Cc1nonc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1 299759264 FAEWIGWFGJKGAG-UHFFFAOYSA-N 360.845 2.802 0 50 FFAA COc1ccc2c(c1)[C@@H](NC(=O)CN(C)Cc1cccnc1)CC(C)(C)O2 299763410 WADQHNKMPXHGHB-SFHVURJKSA-N 369.465 2.941 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)Nc1ccc3c(c1)nnn3C)CC2 299765098 VIXPLLVLMJXVLE-UHFFFAOYSA-N 367.409 2.576 0 50 FFAA CCc1noc(CN(C)C(=O)c2cccc(-c3ccc(O)c(CO)c3)c2)n1 299771513 PWZGTOUMZKCICH-UHFFFAOYSA-N 367.405 2.769 0 50 FFAA Cc1ccc2oc(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)c(C)c2c1 299764704 CNTISUHGCQAULY-RDJZCZTQSA-N 352.394 2.627 0 50 FFAA Cc1cc(OC[C@H](O)CNC(=O)C2CCN(C(C)C)CC2)ccc1Cl 828593138 SFDXTPLZVQEAMW-MRXNPFEDSA-N 368.905 2.625 0 50 FFAA CCCN(Cc1cccnc1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 584890392 RSPVAAWUSUJHHT-UHFFFAOYSA-N 354.454 2.905 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c2)c2ccccc12 584893590 YIIZLARKQRXIGL-HNNXBMFYSA-N 374.444 2.908 0 50 FFAA COC[C@H](C)N(Cc1ccc(SC)cc1)C(=O)Cn1nc(C)cc1N 952978301 YLAIHSPSPDAAHZ-AWEZNQCLSA-N 362.499 2.559 0 50 FFAA Cc1nnc(CN2CCC(CNC(=O)c3cc4ccccc4cn3)CC2)o1 952972613 GEVBGQVORXWGHW-UHFFFAOYSA-N 365.437 2.568 0 50 FFAA CCCC(=O)N1CCC(N[C@H]2CCOC[C@@H]2OCc2ccccc2)CC1 1565513529 CCQHRLDSHVZFAB-PMACEKPBSA-N 360.498 2.741 0 50 FFAA Cn1ccc2c(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)cccc21 1565527985 HOCWFCGZDXJYOT-WMZOPIPTSA-N 351.406 2.540 0 50 FFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCNC(=O)c1ccccc1F)C2 1704300137 WCPPZCMQETULAM-YLJYHZDGSA-N 362.445 2.753 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCN(Cc2nccn2C2CC2)CC1 1704347180 IUSKIBBULMHATQ-UHFFFAOYSA-N 372.444 2.714 0 50 FFAA CC[C@H](C(=O)N1CCCN(c2ncnc3ccccc23)CC1)n1cccn1 1772804318 MCZBTWMFSMHDGB-GOSISDBHSA-N 364.453 2.516 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2c(C)n[nH]c2C)co1 11879135 VSEVZKZROZXGER-UHFFFAOYSA-N 370.409 2.841 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)Cc3cccc(C)c3)CC2=O)cc1 14971365 PRRUAUHHPNSJRD-IBGZPJMESA-N 366.461 2.506 0 50 FFAA COc1cccc(C(=O)NC[C@@H]2CCCN(CCCSC)C2)c1OC 15074668 JAQYHQGYBMFAOM-HNNXBMFYSA-N 366.527 2.899 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3cccc(C)c3)CCC2=O)cc1 15001801 PEBKYMAYSXKJPO-UHFFFAOYSA-N 352.434 2.878 0 50 FFAA CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 16604737 DMGGFLLHKXOOIW-LBPRGKRZSA-N 355.276 2.817 0 50 FFAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789474 LJAMIDOLIUFNQI-LBPRGKRZSA-N 358.891 2.655 0 50 FFAA CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 1143097 PBTOOBWOBTZZQG-UHFFFAOYSA-N 365.282 2.673 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc2c(c1)OCCO2 1162966 DVHYRUBJDRMRHU-SFHVURJKSA-N 359.765 2.524 0 50 FFAA CCOC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 2876709 DXAFZSATSWIGIG-UHFFFAOYSA-N 360.646 2.976 0 50 FFAA COc1ccc(CN(CCCN(C)C)CCCN(C)C)c(OC)c1C 2893923 GUKBEPQJNODUHU-UHFFFAOYSA-N 351.535 2.718 0 50 FFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ncccn2)CC1 6524167 IGUAKTRFUOIRTR-MRXNPFEDSA-N 362.433 2.746 0 50 FFAA CC[C@H](NC(=O)[C@H]1C[C@]12CCOc1ccc(OC)cc12)c1noc(C)n1 1857532265 NAUMZAWTGWEWCC-VCBZYWHSSA-N 357.410 2.694 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668830 HSUFGFOBPGAXMK-XHDPSFHLSA-N 358.316 2.660 0 50 FFAA CNC(=O)Cn1cc(-n2ccnc2-c2cccc(CC(F)(F)F)c2)cn1 1857703857 ZTRFSGNWEGIWDW-UHFFFAOYSA-N 363.343 2.587 0 50 FFAA COCC(=O)N1CCC(C2CCN(Cc3nc4ccccc4[nH]3)CC2)CC1 1857714136 STRVIMLTANQERM-UHFFFAOYSA-N 370.497 2.660 0 50 FFAA O=C(C1CCCCC1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857732131 DBRUBRXQSCCMKG-OPYAIIAOSA-N 354.450 2.868 0 50 FFAA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 216605444 NPLSXIGLHBMEIY-QAPCUYQASA-N 371.506 2.817 0 50 FFAA O=C(Cc1ccccc1O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 219525846 XVOJLOJXLOCOBV-MOPGFXCFSA-N 364.445 2.584 0 50 FFAA O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1C[C@H]2CCCN[C@H]2C1 247849230 IFTYGHZOOOJDRS-QAPCUYQASA-N 364.424 2.964 0 50 FFAA C[C@H](O)C[C@H]1COCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 248619672 BYADIMSDVXTALB-MJVIPROJSA-N 362.253 2.759 0 50 FFAA COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Oc3ccccc3)o1)CC2 137969178 FNNLTAVXPBIXRJ-CYBMUJFWSA-N 368.393 2.555 0 50 FFAA Cc1cnc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)s1 161666038 KAYCGHARXGGDKK-UHFFFAOYSA-N 370.356 2.587 0 50 FFAA Cc1ccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c(O)c1 264836461 HTCPRCULLZLACM-UHFFFAOYSA-N 357.454 2.947 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CC23CCN(c2cccc(F)n2)CC3)n[nH]1 952894048 LOENFWPPBLDLQS-OAHLLOKOSA-N 357.433 2.856 0 50 FFAA O=C(NC1CN(c2nc3ccccc3[nH]2)C1)c1ccnc(NC2CCC2)c1 1875316529 XRHFNHMEQDTYQK-UHFFFAOYSA-N 362.437 2.541 0 50 FFAA C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c12)[C@@H]1CCCCN1 1875333823 MUVUODPWAAKIQI-SKDRFNHKSA-N 351.248 2.586 0 50 FFAA CC[C@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1ccon1)C2 1875357988 DZEAGVDECWITBJ-HOTGVXAUSA-N 359.470 2.956 0 50 FFAA CCn1cccc1C(=O)N[C@@H]1CCC[C@H]2CN(c3nc(C)ns3)C[C@@H]21 1875405661 LJFYZFKADUGIPD-SOUVJXGZSA-N 359.499 2.703 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc(C)c1O 2100547409 JCFIJGYZLKILJU-OXQOHEQNSA-N 363.454 2.723 0 50 FFAA CCCN(CCNC(=O)[C@@H]1Cc2ccc(F)cc21)C(=O)c1nc(C)oc1C 2325793752 GTBGRQODHDDEFI-QGZVFWFLSA-N 373.428 2.739 0 50 FFAA CC(C)CCC(=O)NC[C@H]1CN(c2ncncc2Cl)CC(C)(C)O1 2325866976 GXHAUCGERBPZBC-ZDUSSCGKSA-N 354.882 2.666 0 50 FFAA CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868422 ZAAQNUIZWKALBI-VQTPCSAVSA-N 351.535 2.839 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccccc2OC(F)F)C1=O 2356144899 QWLNWYASBLGDOW-LJQANCHMSA-N 368.424 2.891 0 50 FFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356158651 UAFMZHFFXVWJBJ-GOSISDBHSA-N 373.819 2.970 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)Nc2c(-c3ccccc3)cnn2C)c1C 2356165306 BSGNHUDVOQVKGR-UHFFFAOYSA-N 351.410 2.742 0 50 FFAA Cc1ccccc1S(=O)(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356166986 QNMNNFKPERKGGD-GOSISDBHSA-N 350.484 2.549 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 2808338 JZTMKWZSWJLPMC-IRXDYDNUSA-N 364.873 2.875 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 6418445 NSGJNGNQTQMOBX-YCRPNKLZSA-N 371.433 2.634 0 50 FFAA biogenic CN1CC[C@@H](NC(=O)c2cccnc2SC/C=C/c2ccccc2)C1=O 55108688 BATOUWUXEOGLBS-RCMYXZNBSA-N 367.474 2.848 0 50 FFAA C[Si](C)(C)c1ccc(CNc2ccc(C(=O)NCCCO)cc2)cc1 225828470 ATBAZWCBBCURMH-UHFFFAOYSA-N 356.542 2.956 0 50 FFAA CCc1ccc(CN2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)nc1 65502134 DHWAIHFWRFHOTC-UHFFFAOYSA-N 364.453 2.720 0 50 FFAA CCc1cn[nH]c1C1CCN(c2nnnn2[C@H](C)c2ccccc2)CC1 67852410 NVMJTVQTEAOHMT-CQSZACIVSA-N 351.458 2.952 0 50 FFAA Cc1nc(C(=O)N2CCC[C@H](C(=O)O)C2)nn1-c1ccccc1C(C)C 136129302 WWPDKAPRXOBGEK-AWEZNQCLSA-N 356.426 2.636 0 50 FFAA CC[C@]1(O)CCCN(C(=O)c2coc(COc3cccc(OC)c3)n2)C1 67432507 KDAINWWNNYQJFR-IBGZPJMESA-N 360.410 2.639 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12433857 OCHHBEBPGGKEAQ-JOCHJYFZSA-N 370.541 2.946 0 50 FFAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)CNC(C)=O)C2 67772782 QASBXYBWAXYKHG-UHFFFAOYSA-N 374.462 2.589 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3ccccc3s1)C2 219569260 RZSBCEIFHZKHBC-MRXNPFEDSA-N 370.478 2.911 0 50 FFAA CCc1ccccc1NC(=O)NCCNc1cc(-n2ccnc2C)ncn1 72139981 IRZHRIVMTACLMM-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1Cc1ccc(Cl)cc1 77505833 NSWXRAKDZXMAQN-UHFFFAOYSA-N 372.856 2.718 0 50 FFAA COc1cccc(/C(C)=C/C(=O)NCc2ccc(C)nc2-n2cncn2)c1 170610093 FAIWZHRFSZWDCZ-NTEUORMPSA-N 363.421 2.699 0 50 FFAA O=S(=O)(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1cnc2n1CCC2 330038942 BRXBNPQIEWKUGR-SRVKXCTJSA-N 364.496 2.990 0 50 FFAA COc1cccc([C@H]2CN(Cc3snnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72121712 DNSPAHQIEIDKAV-MISYRCLQSA-N 370.522 2.917 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3CCN3CCOCC3)c2c1 77387729 UDNUOESXQAQLKL-MRXNPFEDSA-N 356.470 2.588 0 50 FFAA Cc1ccc(CN2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)cc1 36385841 CWJHMYPTPQKXNK-HXUWFJFHSA-N 368.477 2.793 0 50 FFAA C[C@H]1COc2ccccc2CN1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363686607 GNLIQZDXCPEPSF-WMLDXEAASA-N 356.426 2.877 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1 72427792 LFXZHTMBKGJOTH-GOSISDBHSA-N 371.485 2.784 0 50 FFAA O=C(c1cnn2cccnc12)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 77470874 PGNHSSLWRGDUIL-AWEZNQCLSA-N 360.421 2.701 0 50 FFAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 365140943 XTIFGFGWHZDKFF-ZIAGYGMSSA-N 368.437 2.585 0 50 FFAA CC(=O)c1ccc(O)c(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)c1 332629377 DJTLSBURSRSXCY-NRAUKZCXSA-N 358.438 2.961 0 50 FFAA Cc1cc(C)cc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)c1 72424022 ZEYJVUYPIOMEDX-LJQANCHMSA-N 370.493 2.981 0 50 FFAA O=C([C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2ncc[nH]2)CC1 72480097 APDWXSMMRMAXMZ-CQSZACIVSA-N 372.856 2.822 0 50 FFAA CN(C)c1cc(N2CCC[C@](Cc3ccccc3F)(C(=O)O)C2)ncn1 71523821 XAYSAMJTZPWKES-LJQANCHMSA-N 358.417 2.596 0 50 FFAA NC(=O)c1cccnc1N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 72122514 ODWGKUDSDXOVPA-JOCHJYFZSA-N 364.493 2.716 0 50 FFAA CC(C)N(C)C(=O)C1CCN(C(=O)CNc2cc(F)cc(Cl)c2)CC1 128427392 NYHQOIGCBDLXJQ-UHFFFAOYSA-N 369.868 2.996 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 219272097 OCKRWPYKGLSTNT-YVCBRDFCSA-N 361.445 2.799 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC(C)(C)N(C)C[C@@H]3C)c12 72480252 HJMAMDAEZFSHRQ-ZDUSSCGKSA-N 365.485 2.653 0 50 FFAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)c1c[nH]nc1C1CCCCC1)C2 71760935 MTNVPNLEVKGWHH-UHFFFAOYSA-N 368.485 2.820 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 223926041 GDYAUDOTQIHASX-GFCCVEGCSA-N 362.430 2.558 0 50 FFAA Cn1c(=O)oc2c(C(=O)Nc3cccc(N4CCCCC4=O)c3)cccc21 158309996 BXTQPKDUASBKKT-UHFFFAOYSA-N 365.389 2.901 0 50 FFAA Cc1ccn2c(C(=O)N3CCC(n4cc(C5CC5)nn4)CC3)c(C)nc2c1 48090874 RKONSOAXIBTXQD-UHFFFAOYSA-N 364.453 2.897 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3ccccc3n2)C2CC(O)C2)cn1 220314494 KUKIENGVQGZWST-PMTKGXAQSA-N 363.417 2.880 0 50 FFAA COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1 285287912 IUMBQCLJGHKRLY-FEGHXTNJSA-N 361.482 2.967 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(O)c4c3)cc2)C1 426535070 GOMJBHIGWZOAMA-KRWDZBQOSA-N 362.433 2.779 0 50 FFAA Cc1nccn1CC1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 222957507 WDMCOFGGUIQTRO-OAQYLSRUSA-N 366.509 2.920 0 50 FFAA Cc1cccc(-n2nc(CCC(C)C)nc2-c2n[nH]c3c2CN(C)CC3)n1 97437029 GXRZTDFTAYFQAT-UHFFFAOYSA-N 365.485 2.937 0 50 FFAA CCN1CCC(CCNC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)CC1 426399486 ZHPJRGAQTSIOSR-UHFFFAOYSA-N 361.465 2.965 0 50 FFAA COc1ccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2N(C)C)cc1 92065775 JWWFBEORQQILBY-VQTJNVASSA-N 368.477 2.996 0 50 FFAA CN1CCN(C)[C@H](CNC(=O)c2ccc(-c3nccc4ccccc34)cc2)C1 426533657 CBVICIYVZSBTSJ-HXUWFJFHSA-N 374.488 2.877 0 50 FFAA Cc1ccc(C(=O)CCCN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 91536520 MKQWBJZZSJAEHA-UHFFFAOYSA-N 372.509 2.655 0 50 FFAA CC[C@H](OC)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91694587 LUUNMFCBYITFHR-IBGZPJMESA-N 372.509 2.885 0 50 FFAA CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)cs1 91943188 PAUCOWFYJHCEJQ-UHFFFAOYSA-N 364.511 2.802 0 50 FFAA COc1ccc(CN2CCO[C@@H](c3cccnc3)C2)cc1Cn1cccn1 97757778 BGXYLNOFIJNHHH-OAQYLSRUSA-N 364.449 2.909 0 50 FFAA CCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91459630 XZDGQVSFFQVKFU-GOSISDBHSA-N 372.509 2.885 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)CC1=O 91574874 HYPDYMURTSWLSX-NSHDSACASA-N 362.861 2.522 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccccc2-c2nnn[nH]2)C1 91364739 CNTMNZBQNKWKNI-IBGZPJMESA-N 369.425 2.530 0 50 FFAA Cc1cccc(=O)n1CCC(=O)NCCc1ccccc1C(F)(F)F 97547372 XVNRVIOCQWDPTO-UHFFFAOYSA-N 352.356 2.925 0 50 FFAA CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1 96149521 QFBIAWDHKDNQTE-UHFFFAOYSA-N 367.474 2.934 0 50 FFAA C[C@@H](CCNC(=O)c1cccc(-c2ccc(O)cc2)c1)N1CCN(C)CC1 97492411 TWVUUHPOZIPESU-KRWDZBQOSA-N 367.493 2.815 0 50 FFAA CN1CCN2CCN(Cc3ccccc3OCc3ccccc3)C[C@H]2C1 244858487 VMCOBNFWJVQFFZ-OAQYLSRUSA-N 351.494 2.697 0 50 FFAA CCn1c(O)nc2cc(C(=O)N3CC4(CCC4)[C@@H]3C3CC3)ccc2c1=O 291172297 RVDCIQGNXSPUSO-INIZCTEOSA-N 353.422 2.527 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2C[C@@H](CO)N(C)C2)cc1F 244794890 QVRIRXZYYTUIRF-MSOLQXFVSA-N 356.441 2.520 0 50 FFAA CCc1nn(C)cc1-c1cccc(C(=O)N(C)CC2(CO)CCOCC2)c1 299791549 DPIRVISGUGTSGD-UHFFFAOYSA-N 371.481 2.511 0 50 FFAA Cc1nnc(CCNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)s1 292043908 RBVHAGBXFQJMDK-AWEZNQCLSA-N 366.874 2.826 0 50 FFAA CCSc1nnc(NC(=O)CN2CCC[C@H]2c2cc(C)no2)s1 299786853 OBPUPSXKLRAJGH-JTQLQIEISA-N 353.473 2.722 0 50 FFAA COCCN1CCC[C@@H](CNC(=O)c2cccc(-c3cccnc3O)c2)C1 299783088 FDCCVSDYNFJKKI-INIZCTEOSA-N 369.465 2.542 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 299753574 YRRSHQGPZDBKAN-IBGZPJMESA-N 364.401 2.615 0 50 FFAA Cc1cc(CN2CCC3(CC2)CN(CCc2cccc(C)n2)CCO3)on1 825297080 XYZSJKWISRLHIL-UHFFFAOYSA-N 370.497 2.596 0 50 FFAA COc1ccc(CC(=O)NCc2nncn2C2CCCCC2)c(OC)c1 824573144 OCSDOQQQBWSVQW-UHFFFAOYSA-N 358.442 2.659 0 50 FFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc([C@H]2CCCO2)s1 670469175 GSVVCSAJDDLJCN-GFCCVEGCSA-N 355.423 2.710 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 584900293 RZVKXOBZDZOWDB-AWEZNQCLSA-N 372.400 2.638 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCCCn2ccc3ccccc32)c1C 670453634 UKNBWWPIWVAOQQ-UHFFFAOYSA-N 352.438 2.864 0 50 FFAA CN1CCC(C(=O)N2CCC[C@H]3CN(Cc4ccc(F)cc4)CC[C@@H]32)CC1 1565526530 WTJOIIUXGBMKNQ-FPOVZHCZSA-N 373.516 2.980 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc2ccccc2n1 1565530407 BSXIQSXDJGDVQW-WMZOPIPTSA-N 369.446 2.795 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc(OCc2ccccc2F)cc1 1565508679 LXWYSZSJLWGYIZ-OALUTQOASA-N 359.397 2.938 0 50 FFAA Cc1cc(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)nc(C2CC2)n1 185510198 LVAMAYVDIOHRKQ-GOSISDBHSA-N 366.465 2.544 0 50 FFAA CC(C)c1ncc(Cl)c(C(=O)Nc2cccnc2N2CCOCC2)n1 194701236 AHMJFYUTKJZRQY-UHFFFAOYSA-N 361.833 2.737 0 50 FFAA C[C@H](CCN1C(=O)c2ccccc2C1=O)NC[C@@H](O)c1c(F)cccc1F 769519341 ONSDVAZREIJLSY-SJKOYZFVSA-N 374.387 2.663 0 50 FFAA Cc1nc(CCCNC2CCN(C(=O)c3cccnc3)CC2)sc1C 1506404716 IKAHTYPDTTWYCD-UHFFFAOYSA-N 358.511 2.982 0 50 FFAA Cc1cc(C)c(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)c(-n2cccn2)c1 1529195065 FCPLICCPQPSQFP-XMSQKQJNSA-N 362.477 2.920 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)c1nc2cc(C(=O)O)ccc2n1C 1529187738 ZXFRCSFVLNMGFP-UHFFFAOYSA-N 363.377 2.958 0 50 FFAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)Nc1cnn(Cc2ccccc2)c1 1529167881 SCSSRXABRXEGMB-IBGZPJMESA-N 374.444 2.886 0 50 FFAA COc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc(OC)c1O 1529144070 GYOLDSOEMMHECL-SDSIWUNFSA-N 362.470 2.600 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ncoc3C)CC1)OCC2 1704344598 UHMMGKJGBPPSGX-UHFFFAOYSA-N 372.421 2.704 0 50 FFAA COc1cccc(OCc2nc(Cc3cc(C)no3)n([C@@H]3CCOC3)n2)c1 1775983710 RURWHOOCUPYZDV-CQSZACIVSA-N 370.409 2.714 0 50 FFAA O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 12245161 WZAPLJSMQKEQKY-MJGOQNOKSA-N 367.424 2.874 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C[C@@]1(O)CCCN(C)C1=O 12385494 PQHZFJGBJCLWGY-NRFANRHFSA-N 354.450 2.894 0 50 FFAA Cc1cc(O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 13328616 DWLDLRZXLDAVRY-CQSZACIVSA-N 360.845 2.555 0 50 FFAA Cc1ccc(NC(=O)/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 13659549 AXXBLRKTECJYQG-PTNGSMBKSA-N 359.451 2.956 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1C 19782084 DQHDJRTXPNVCDY-SFHVURJKSA-N 362.543 2.650 0 50 FFAA Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1 169758253 WKFLPBCOGOVYNJ-HNNXBMFYSA-N 364.340 2.801 0 50 FFAA COC(=O)c1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 685226 YFLNUEXLEUSZQS-WJDWOHSUSA-N 368.414 2.744 0 50 FFAA O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789579 QHXKDGUVDIUBBD-UHFFFAOYSA-N 362.426 2.865 0 50 FFAA COc1cc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C 802671 OTGKAFVWDSJVBL-UHFFFAOYSA-N 354.516 2.900 0 50 FFAA N=C(NC(=S)Nc1ccccc1)N1CCN(Cc2ccccc2)CC1 4740187 PZXUTGKIRFMUQK-UHFFFAOYSA-N 353.495 2.726 0 50 FFAA COCCNC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 4746823 FAHNOYNSSSFDRI-UHFFFAOYSA-N 354.381 2.774 0 50 FFAA COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 4809504 WZSBIBCQIXXOOC-UHFFFAOYSA-N 355.799 2.936 0 50 FFAA O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)nc2sccn12 3538644 HCERUDIENOBNHE-UHFFFAOYSA-N 360.870 2.732 0 50 FFAA O[C@@H](CN1CCC(Oc2cccc(C(F)(F)F)c2)CC1)C1CCNCC1 1857674033 YIPZIAQGECOTPR-SFHVURJKSA-N 372.431 2.909 0 50 FFAA CCc1nc(-c2scc3c2CCCC3)n([C@H]2CCS(=O)(=O)C2)n1 1857676831 MLYVXWBJWRJYSP-LBPRGKRZSA-N 351.497 2.807 0 50 FFAA O=C1CC2(CCN(c3ccncc3)CC2)OCCN1CC[C@H]1CC1(F)F 1857685422 IWASWGOTZRJHGU-HNNXBMFYSA-N 365.424 2.715 0 50 FFAA COCC1(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)CCC1 1875249793 BGXVWARBENOGID-PMACEKPBSA-N 372.509 2.868 0 50 FFAA CNC(=O)CN1CCC(N[C@H]2CCCOc3c(C(C)C)cccc32)CC1 121886829 KGUISMYCBURBHV-IBGZPJMESA-N 359.514 2.824 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)CCCOc2cccc(Br)c2)C1 237955533 VICSGMIURUZVOO-NSHDSACASA-N 356.216 2.541 0 50 FFAA Cn1nccc1S(=O)(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 462696566 UGPOHHOWYXIWCJ-GOSISDBHSA-N 353.447 2.757 0 50 FFAA COCCn1nnc2c1C[C@H](c1nc(-c3occc3C(C)C)no1)CC2 952891981 BHCDQXRPEVFKAG-GFCCVEGCSA-N 357.414 2.963 0 50 FFAA O=C(NC[C@@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H](C2CC2)C1 1875266042 TVRYFJGSAXDCJR-APWZRJJASA-N 361.461 2.641 0 50 FFAA C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 1875319081 PQZLLZXGKOTRSM-XPTSAGLGSA-N 355.316 2.574 0 50 FFAA CCOc1cccc(CNC(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)c1 1875393787 STPAKUPZEFDZNW-AVRWGWEMSA-N 365.499 2.970 0 50 FFAA Cc1nnccc1C(=O)NCc1ccc2c(c1)CN(C(=O)C(C)(C)C)C2 1875302947 OVNREGGROAKSIP-UHFFFAOYSA-N 352.438 2.603 0 50 FFAA CS(=O)(=O)NC(=O)c1cc(C2CC2)nc2c1cnn2C1CCCCC1 1875390652 MQNNJNVQEVPPHL-UHFFFAOYSA-N 362.455 2.503 0 50 FFAA COc1ccc(/C=C(\C)CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 886062970 HBANEHQOVUICLX-HDPNIXCESA-N 368.481 2.641 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCC(c3noc(C(F)F)n3)CC2)n2cccc21 888091132 VQVZDGNGQOZXRR-LBPRGKRZSA-N 364.352 2.733 0 50 FFAA COCCN1C(=O)O[C@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1 4697935 PQSKPSYLEOYJID-QUCCMNQESA-N 373.405 2.689 0 50 FFAA Cc1cccc2cc(-c3cnc(C(=O)N(C)C4CCNCC4)cn3)cnc12 2325796660 BFIVJISUVUDSNO-UHFFFAOYSA-N 361.449 2.824 0 50 FFAA Brc1cc2c(N3CCN[C@@H](c4ccccc4)C3)ncnn2c1 2325802526 MFJHLRSVUZJKLO-CQSZACIVSA-N 358.243 2.643 0 50 FFAA C[C@H](O)c1n[nH]c([C@@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)n1 2325803928 KHWWMGFDSQCFHZ-RITPCOANSA-N 364.274 2.646 0 50 FFAA Cc1nc(CCc2nc(-c3ccc(C(F)(F)F)nc3O)no2)[nH]c1C 2325860138 ZBRSPGIDJMXZPY-UHFFFAOYSA-N 353.304 2.981 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cc2ccccc2oc1=O 1149020 GYOJDGZWLFDBQN-IBGZPJMESA-N 369.760 2.859 0 50 FFAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)N1CCC(OC(F)(F)F)CC1 2356144926 RZYZIMKJKSQNMZ-LBPRGKRZSA-N 372.343 2.648 0 50 FFAA COc1ccccc1NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 20367258 CKZDNPOQFHGVRK-UHFFFAOYSA-N 353.466 2.760 0 50 FFAA Cc1nc(NCCNC(=O)c2c(F)cccc2F)cc(N2CCCC2)n1 67604669 WXTMWWDBOHAFHT-UHFFFAOYSA-N 361.396 2.505 0 50 FFAA CCc1nc(C)c(C(=O)N[C@H](c2ccccc2)c2nnc(N)s2)s1 65407541 IBUKPPIFHZNSBE-GFCCVEGCSA-N 359.480 2.967 0 50 FFAA O=C([C@@H]1CCc2nncn2C1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 330350720 LKKVIMQMUWVSOA-CQSZACIVSA-N 365.412 2.777 0 50 FFAA CN1CCC[C@@H](CNc2nc(O)c3ccccc3n2)[C@@H]1c1ccnn1C 284562046 GBOGTBCYMZBXAS-SUMWQHHRSA-N 352.442 2.564 0 50 FFAA O=C(O)CC[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 139244861 FTAHKNJFWRCLTG-HOTGVXAUSA-N 370.380 2.974 0 50 FFAA COc1cc(C)sc1C(=O)NCC1(N2CCOCC2)CCCCC1 72646014 TUDKTEIZVCHTBJ-UHFFFAOYSA-N 352.500 2.830 0 50 FFAA CCN(C)C(=O)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1 72429076 HMPUDBDGVJAXMO-UHFFFAOYSA-N 356.451 2.726 0 50 FFAA Cn1cc(Cl)c(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)n1 77453798 OTZSNPHETIEBHZ-QGZVFWFLSA-N 361.873 2.919 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1coc(-c2cccs2)n1 238032031 BMJUBHGPXPWESR-OAHLLOKOSA-N 368.414 2.984 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 238103925 PDKVPQKQEAJEKL-LSDHHAIUSA-N 371.355 2.901 0 50 FFAA C[C@H](Oc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1)C(=O)O 215301255 GKYBFZLBDKNKLB-KRWDZBQOSA-N 369.465 2.641 0 50 FFAA COCc1ncc(CN2CCC[C@H](Cc3ccc(C(=O)O)cc3)C2)cn1 72138866 QSDVADUYGWGTOB-MRXNPFEDSA-N 355.438 2.776 0 50 FFAA COC(=O)c1ccc(N2CCN([C@@H](C)c3cnc(C)cn3)[C@@H](C)C2)cc1 253433091 RVCZLRRJMFBKCR-HOTGVXAUSA-N 354.454 2.843 0 50 FFAA C[C@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 152227398 AZCVVIBZNLSGRA-CABCVRRESA-N 359.499 2.780 0 50 FFAA CCn1ccc2cc(CN3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)ccc21 77534855 AECYYMVPKCBGLK-JOCHJYFZSA-N 369.509 2.858 0 50 FFAA Cc1nc(CN2CCn3nc(CN4CCC[C@@H]4C)cc3C2)c2ccccn12 72158938 DWLMEWBXYZBFSG-INIZCTEOSA-N 364.497 2.839 0 50 FFAA O=C1[C@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(F)cc1 138538960 OCEJGXCUTKQDTA-RCCFBDPRSA-N 369.371 2.500 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 288103614 XAUGQOHHDVLKTP-YGWPLHOASA-N 352.434 2.880 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 17073344 LWZUTCMNVZXFLK-UHFFFAOYSA-N 354.472 2.545 0 50 FFAA COCc1cc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)ccc1OC 221334021 BLEKHPMLSFNOFV-NRFANRHFSA-N 371.481 2.887 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 426510544 AFTKXIRROORYLU-FQEVSTJZSA-N 368.433 2.659 0 50 FFAA COc1nc2c(cc1C(=O)N1CCCN(c3ccnc(C)c3)CC1)CCC2 82092470 CANVCTCLIURRGS-UHFFFAOYSA-N 366.465 2.635 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCC(OCc2ccccn2)CC1 221323039 GAKAOLYCRKOWAV-UHFFFAOYSA-N 354.406 2.674 0 50 FFAA O=C(NC[C@@H]1CCCN(CCc2ccccc2)C1)N1CCC2(CCO2)CC1 426661356 QNKYMMPQUUFZNP-FQEVSTJZSA-N 371.525 2.906 0 50 FFAA CCCN1CCCn2nc(CNC(=O)CCc3ccccc3F)cc2C1 82138375 JUJVUEDGMXXJKF-UHFFFAOYSA-N 358.461 2.887 0 50 FFAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)NCCc1cccc3ccccc13)C2 426441684 BXEMYJWPMXSURI-MSOLQXFVSA-N 351.450 2.692 0 50 FFAA CCCc1cnc(N2CCN(Cc3ccc(NC(C)=O)cc3)CC2)nc1 199453119 CPORYWGEMPNAHM-UHFFFAOYSA-N 353.470 2.710 0 50 FFAA CC(=O)c1ccc(F)c(-c2cccc(C(=O)NC[C@H]3CN(C)CCO3)c2)c1 426634141 HGXUAPIYKDXYEI-SFHVURJKSA-N 370.424 2.756 0 50 FFAA Cc1cnc(Cn2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2)s1 179750683 YOLVEFBNQAEXQO-OAHLLOKOSA-N 356.455 2.613 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)O)c3ccc(F)cc3)[nH]n2)cc1 95524450 KIXOMVJNBVBSGU-QGZVFWFLSA-N 369.352 2.780 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc(CN2CCCC2)o1 92076999 MJHJFQQMVRKGIP-UHFFFAOYSA-N 367.409 2.593 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCSc2ccccn2)C1(C)C 91831081 RLICRNXHRINFRQ-IFXJQAMLSA-N 363.527 2.821 0 50 FFAA O=C(CN1CCN(C2CCCCC2)CC1)NCCc1ccc(Cl)cc1 22751915 SMGXDIDUENGDMP-UHFFFAOYSA-N 363.933 2.949 0 50 FFAA CCN1CCCC[C@H]1C(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 96137799 VQNCITPGZPNGEQ-IBGZPJMESA-N 368.481 2.844 0 50 FFAA O=C(c1ccnc(-c2cccc(CN3CCOCC3)c2)c1)N1CCCC1 96167004 ISXFHBQVYKVKDP-UHFFFAOYSA-N 351.450 2.817 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)C(C)(C)Oc3ccc4c(c3)CCC4)C2)C1=O 91664221 TXBXUMQMZULKRC-JOCHJYFZSA-N 370.493 2.804 0 50 FFAA CCCCc1nc(CS(=O)(=O)Cc2nnc(C)n2C2CC2)cs1 180624556 UXCWXZMCXJQZMI-UHFFFAOYSA-N 354.501 2.836 0 50 FFAA Cc1cc2nc(C(=O)N[C@H](C)CN3CCc4ccccc4C3)cc(C)n2n1 97499574 PGGKYMNROVELJF-OAHLLOKOSA-N 363.465 2.523 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4csc(C)n4)CC3)[nH]n2)o1 91626315 WFQWDWOQGQLHMX-UHFFFAOYSA-N 371.466 2.701 0 50 FFAA COc1ccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2OC)cc1 181878852 NUBGXXFZMRVGFW-KRWDZBQOSA-N 366.421 2.963 0 50 FFAA CCN(CC)CCOc1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)cc1 163335510 AXSHNIBSHKKCBT-KRWDZBQOSA-N 371.485 2.809 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)C2(c3ccc(F)cc3)CC2)N1 91410615 HFQLLUOBPARRRK-SFHVURJKSA-N 367.424 2.560 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1ccc3ccccc3c1)CC2 91876748 YROKQKOZBCRCBJ-HXUWFJFHSA-N 366.461 2.734 0 50 FFAA COC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95528661 BJJLFYZOVLUZTM-IBGZPJMESA-N 373.497 2.589 0 50 FFAA C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(-n2cncn2)cc1 182887476 QVASXQNWVUULLU-OAHLLOKOSA-N 350.426 2.672 0 50 FFAA COCCn1c(CN2CCCC3(CCCCC3)C2)nnc1[C@H]1C[C@@H](N)C1 244795086 QZGDPRCEIQZWCP-CALCHBBNSA-N 361.534 2.676 0 50 FFAA Cc1cc(C)n(CCC(=O)NCCN2CC[C@H](c3ccccc3C)C2)n1 252500655 SZWOJRZCYLEPCI-IBGZPJMESA-N 354.498 2.804 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 253401774 FVJVSEYHFXJTPQ-FUHWJXTLSA-N 355.486 2.547 0 50 FFAA biogenic CC1CCN(C(=O)c2cccc(NC(=O)N3CCN4CCC[C@H]4C3)c2)CC1 299776858 DQBZNLGEWFWWKF-IBGZPJMESA-N 370.497 2.871 0 50 FFAA CC[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1nc(C)c(C)s1 822668923 YGTPZQIMAWJKOI-VIFPVBQESA-N 360.482 2.949 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3cnc4nncn4c3)cc2)C1 584904018 RKTTZAWSJPBTKW-SFHVURJKSA-N 365.437 2.823 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccncc3C(F)(F)F)C2)o1 952891047 UHQZTHRHQBJWRK-MNOVXSKESA-N 354.332 2.933 0 50 FFAA CNC(=O)c1cccc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)c1 1875356467 LNIHCAXXEXYXHL-UHFFFAOYSA-N 362.389 2.764 0 50 FFAA O=S(=O)(CC1CCCCC1)NS(=O)(=O)c1cccc2c1CCCC2 1875335502 PRRVQIFITYWPCC-UHFFFAOYSA-N 371.524 2.754 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCO[C@@](CC)(C(F)(F)F)C2)cc1 1875368917 FNLKAXWCDCBGOQ-MRXNPFEDSA-N 356.344 2.995 0 50 FFAA O=C(Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1)N1CCOCCO1 1875317450 ZDKCVUSEANFSEO-UHFFFAOYSA-N 368.315 2.958 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(OCc2ccccc2F)cc1 1565530595 BRKRANBGFOUNIE-OALUTQOASA-N 359.397 2.938 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CCN(c3ccccc3F)C1=O)CO2 185835833 IHSOXFXYQNWKSZ-NVXWUHKLSA-N 368.408 2.840 0 50 FFAA NC(=O)c1cnn2c1C[C@@H](CNCc1cc(Cl)cc3cccnc13)CC2 275724994 ZIZDIGCMLREHIV-LBPRGKRZSA-N 369.856 2.536 0 50 FFAA O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 190964180 GRLDYJXTZLJHDR-YUTCNCBUSA-N 370.280 2.808 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ncc(Cl)n2C)C1 195264308 BYYSWDBKMNJVLD-CYBMUJFWSA-N 353.923 2.792 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)c1C 1506414240 PUEIWNZDYYJBFK-GOSISDBHSA-N 371.485 2.679 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cc2c(nc1O)CCCC2 1506414714 REAACSRIAINVML-UHFFFAOYSA-N 364.405 2.988 0 50 FFAA Cc1ccccc1N1CC[C@H](CNc2cc(N3CCC(O)CC3)ncn2)C1 1529182260 ZTQIIJFMCGOBNP-QGZVFWFLSA-N 367.497 2.685 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529098861 MXVLBEBVTQVZLT-RHSMWYFYSA-N 365.389 2.538 0 50 FFAA Cc1nc[nH]c1CN(CCO)C(=O)c1ccc2c3c([nH]c2c1)CCCC3 1704327426 DBIOOQLKEKNPHK-UHFFFAOYSA-N 352.438 2.713 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1C(=O)O 213118242 GRSDCQBSKABEAH-CABCVRRESA-N 374.462 2.720 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772710537 XMADLERSHIWULY-FOIQADDNSA-N 357.404 2.654 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC(Cc2ccc(O)nc2)CC1 1772816837 VHKAEDFIKDBTFA-UHFFFAOYSA-N 354.406 2.540 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)CSC)C1 11662041 CFQIOAACUQIPEC-LJQANCHMSA-N 365.495 2.773 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(CC3CC3)C[C@@H]3CCCO3)no2)cn1 11937577 HKDJQTRVDOULTF-KRWDZBQOSA-N 371.437 2.988 0 50 FFAA CC(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c1 12056373 JYZXWLNEFPWFCA-QGZVFWFLSA-N 357.454 2.699 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(C(=O)Cn2ccnc2)CC3)c1 12151517 RUZSBPQIJWRKOR-SFHVURJKSA-N 366.465 2.767 0 50 FFAA CSCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12201345 BMRQXJDECXZQBR-GOSISDBHSA-N 350.459 2.530 0 50 FFAA O=C(CCc1ccsc1)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12224792 SDYPSRIOHSJZTK-KRWDZBQOSA-N 360.454 2.780 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CC[C@@H](N(C)C)C4)nc3)n2)cc1 12706151 NKGXTNINYWZRND-MRXNPFEDSA-N 365.437 2.948 0 50 FFAA COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 13944089 SUZGOVCBPRZMHO-ZDUSSCGKSA-N 370.405 2.704 0 50 FFAA O=C(CCC1CCN(C[C@@H]2CCOC2)CC1)Nc1ccc2c(c1)OCCO2 15064610 NQQHETCCRZIPPI-KRWDZBQOSA-N 374.481 2.925 0 50 FFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(OCC)cc1C 16527115 HBLBLZKAOHDCBY-OKILXGFUSA-N 357.472 2.590 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(O)cc1Cl 632281 XVXJLVSJUZIIHL-UHFFFAOYSA-N 351.786 2.626 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3cccc(OC)c3OC)CC2)cc1 19553144 MLCPBWNVKPPZEQ-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(F)c4)C3)nn2)n1 169778162 LHECICIKTWUALX-CQSZACIVSA-N 370.388 2.678 0 50 FFAA NC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2 6703542 DPUBUTUYEIFMLC-UHFFFAOYSA-N 355.510 2.500 0 50 FFAA COc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O 894174 BUGXNMYNBREDGY-UHFFFAOYSA-N 374.890 2.517 0 50 FFAA Cc1nnc(CN2CCO[C@@]3(CCN(CC4CCCCC4)C3)C2)s1 1857695851 BEDWVWUGAKSIRM-GOSISDBHSA-N 350.532 2.704 0 50 FFAA COC1(CNCc2nc3cc(C(F)(F)F)ccc3n2C)CCOCC1 123138655 QRTZFIRIXCCBIT-UHFFFAOYSA-N 357.376 2.877 0 50 FFAA O=C(c1cn([C@@H]2CCOC2)nn1)N(C1CC1)[C@H]1CCCc2ccccc21 330035433 BUEKGPWDRDQDQP-APWZRJJASA-N 352.438 2.922 0 50 FFAA CC(C)N(CC(F)(F)F)C(=O)CN1C[C@@H](C)C(=O)Nc2ccccc21 331423662 LVLCMKVEJYQDMU-GFCCVEGCSA-N 357.376 2.881 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCCN(C(=O)C2CC2)CC1 129981484 JUEAJOQAXFLUKI-IBGZPJMESA-N 355.482 2.662 0 50 FFAA C[C@@]1(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)NC(=O)NC1=O 12131995 CIRRSDCDWNFCOI-IBGZPJMESA-N 370.478 2.620 0 50 FFAA COC(=O)c1ccc(C)c(COC(=O)CN2CCc3sccc3C2)c1 2325747449 YKHHZKIQYFLUFH-UHFFFAOYSA-N 359.447 2.945 0 50 FFAA CCn1cc(CS(=O)(=O)Cc2nc(-c3ccc(F)cc3)cs2)nn1 2325772239 DNEVOFBEILQHJL-UHFFFAOYSA-N 366.443 2.676 0 50 FFAA CCCCc1ccc([C@@H](NC(=O)[C@@H](O)C2(O)CCOCC2)C(C)C)cc1 2325779082 FSDLLUDFTWEUPB-RBUKOAKNSA-N 363.498 2.745 0 50 FFAA Cc1cc(C)n2ncc(-c3noc([C@H](CN)Cc4ccc(F)cc4)n3)c2n1 2325783198 CELGALYJNPQXJN-AWEZNQCLSA-N 366.400 2.820 0 50 FFAA O=C(N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1)c1ccc2ccncc2c1 2325868961 SELWIQHILGJYMI-MSOLQXFVSA-N 356.809 2.713 0 50 FFAA CN(C[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)C(=O)CC(F)F 2325871275 GCNBFLURALDXDO-CYBMUJFWSA-N 361.392 2.811 0 50 FFAA O=C(NC1CCN(C2CCOCC2)CC1)c1cnc2ccc(F)cc2c1 898633961 FTURDWPWNHBLFG-UHFFFAOYSA-N 357.429 2.747 0 50 FFAA CC(C)(C)c1nnc(CNC(=O)[C@@]2(C(=O)O)C[C@H]2c2ccccc2)s1 907639755 NAVMUFREXMYPTA-KPZWWZAWSA-N 359.451 2.710 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N(C)Cc2nc(O)c3ccccc3n2)cc1 917568631 AEZNYZWDTDOLRB-UHFFFAOYSA-N 362.389 2.732 0 50 FFAA Cc1cc(CN2CCN(C(=O)c3cnn(CC(C)C)c3C3CC3)CC2)on1 132396905 ADRDXIURMPONBG-UHFFFAOYSA-N 371.485 2.671 0 50 FFAA O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1 893187 KLWIERVIDPPUJL-UHFFFAOYSA-N 364.854 2.765 0 50 FFAA c1ccc(Cc2nc3n(n2)CCN(c2cnc4ccccc4n2)CC3)cc1 2356148975 CENCEMRGVKVQFE-UHFFFAOYSA-N 356.433 2.875 0 50 FFAA COC(=O)c1cc(NC(=O)Nc2ccc3c(c2)OCO3)cc(C(=O)OC)c1 2853885 DQHTWIIFUNJIJY-UHFFFAOYSA-N 372.333 2.633 0 50 FFAA COC1=C[C@H](O)C[C@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 4533125 QDNCNBBKBODBDR-MRAOVIAESA-N 354.786 2.602 0 50 FFAA COc1ccc(-c2noc(CCCC(=O)NCc3cccnc3)n2)cc1 8395833 GECYRELWNFGPAS-UHFFFAOYSA-N 352.394 2.779 0 50 FFAA CCNC(=S)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 8683689 KACMSYWBJQGWJM-UHFFFAOYSA-N 353.488 2.627 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 55357711 NGSMZEYUEIBCQS-AWEZNQCLSA-N 350.484 2.541 0 50 FFAA CC[C@@H](C(=O)Nc1nnc(C)s1)N1CCN(c2ccc(F)cc2)CC1 20173134 HDPKSXDSJQQOJJ-HNNXBMFYSA-N 363.462 2.525 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(CC(C)(C)CO)CC3)on2)c1 20149107 RKKIUJDCEOSRTF-UHFFFAOYSA-N 374.481 2.738 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2NC1=O 28290047 PAOHFQTUWZROOT-JTQLQIEISA-N 350.330 2.765 0 50 FFAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC[C@@H](C(C)C)CC1 114699859 LEAUWHWZMGIMCA-MRXNPFEDSA-N 368.481 2.968 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1 23373404 GMMLJRHRHJCJAU-IBGZPJMESA-N 372.513 2.610 0 50 FFAA CC(C)c1nc(Cn2nnc(-c3ccc(F)cc3)n2)n(-c2ccccn2)n1 65462526 IMJNNNVKOBZHNY-UHFFFAOYSA-N 364.388 2.627 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)n1 67604449 GEHKVEJDWNULIT-UHFFFAOYSA-N 369.469 2.578 0 50 FFAA COc1ccccc1-c1cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)[nH]n1 67948014 VCANYMMWCOVVNA-NRFANRHFSA-N 363.417 2.819 0 50 FFAA Cc1ccccc1O[C@@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)C(C)C 67886676 YOTKDOWRMGBSPL-HXUWFJFHSA-N 373.541 2.637 0 50 FFAA COc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)c(OC)c1C 23359665 VSKPUHDVOJXOGH-IBGZPJMESA-N 362.514 2.847 0 50 FFAA Cc1nc(CN2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)no1 72431512 VDLWWQZPGMTOJY-FQEVSTJZSA-N 354.454 2.783 0 50 FFAA CCc1cc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@@H](C)COC)on1 63856662 YJLDHGRIHSDTHN-ZDUSSCGKSA-N 362.426 2.932 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CC(Oc4ccccc4F)C3)n2)c1 72407389 FGWPWTQTHHCNNT-UHFFFAOYSA-N 366.352 2.644 0 50 FFAA O=C1N=C(c2ccccc2)NC12CCN(Cc1c(F)cccc1F)CC2 63856627 PUFYYRXNWBPVKF-UHFFFAOYSA-N 355.388 2.876 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC2)nc1 67840590 OQUAPQJZLVKGNN-UHFFFAOYSA-N 367.449 2.669 0 50 FFAA O=C(CCc1cc(O)no1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77419679 FPZISDUBHFFUIT-CQSZACIVSA-N 354.366 2.727 0 50 FFAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 329917241 QTDOJSAQHYIPQS-LSPIHWNJSA-N 356.422 2.724 0 50 FFAA COc1cccc2c1OCC(CN1CCN(CCC(C)C)[C@H](CCO)C1)=C2 36385617 AKWDAVHUMIQZIO-HXUWFJFHSA-N 374.525 2.886 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 2780730 IXKCCPGQPZTRNH-UHFFFAOYSA-N 374.395 2.858 0 50 FFAA CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CC(O)(C4CC4)C3)c2)no1 330092728 QYSYBYFQLWXISD-UHFFFAOYSA-N 355.438 2.922 0 50 FFAA O=C([C@H]1CC(c2ccccc2F)=NO1)N1CCN(c2ccc(F)cc2)CC1 6738461 SWLNFUWWSVGELI-LJQANCHMSA-N 371.387 2.807 0 50 FFAA CCn1ccnc(N2CCC(NCc3ccc([C@H]4C[C@H]4C)o3)CC2)c1=O 328622973 BQUPMSRSQWFVMQ-PBHICJAKSA-N 356.470 2.738 0 50 FFAA CN1C(=O)C[C@@H](CNCc2ccc(F)c(Cl)c2)[C@@H]1c1cnn(C)c1 328636127 VKDUZOSOWMYDDM-YVEFUNNKSA-N 350.825 2.522 0 50 FFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)c1ccncc1Cl 328641172 QKLCZUCQJCXEGQ-GFCCVEGCSA-N 350.875 2.752 0 50 FFAA CCc1nnc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)s1 72480682 MEIQQISSYYCNEO-LJQANCHMSA-N 371.510 2.905 0 50 FFAA O[C@H](CNc1nc(-c2cccnc2)nc2c1CNC2)c1ccccc1Cl 72170384 OFLYMAFJNOSXRC-QGZVFWFLSA-N 367.840 2.941 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1c(Cl)cccc1Cl 241897208 TWNXHANUDPIEMJ-QJPTWQEYSA-N 372.248 2.908 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 77338367 KDCRNAKBYADVCI-IBGZPJMESA-N 370.493 2.830 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@H](OCc2ccncc2)C1 333456488 OOQWZDNLMNTGGF-IBGZPJMESA-N 372.490 2.940 0 50 FFAA O=C1CCCN1CCCNc1cc(-c2ccc(F)cc2)nc2ccnn12 72457202 WCUBJGNMFZGJAY-UHFFFAOYSA-N 353.401 2.960 0 50 FFAA CC(C)N(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71748305 MKKPIOBBUTYWPC-LJQANCHMSA-N 358.530 2.625 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 237536271 IRDAJTAXLNNSLZ-WPRPVWTQSA-N 356.797 2.859 0 50 FFAA O=C(c1cncc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1)N1CCCC1 71776508 IOCDLMCKHIOBCP-QGZVFWFLSA-N 372.856 2.944 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 237953035 RFBAPSSIFUKBQD-ZBFHGGJFSA-N 356.353 2.584 0 50 FFAA COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 72156382 NQHUEQSPWAZXAV-UHFFFAOYSA-N 366.421 2.636 0 50 FFAA O=C(c1ccccc1Cl)N1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 370663894 ZHZCPKLHBFYCPW-HNNXBMFYSA-N 358.873 2.815 0 50 FFAA C[C@H]1CC(CCN2CCN(CCN3CCCOCC3)CC2)C[C@H](C)C1 375336158 HMLYVFLRABKALM-WOJBJXKFSA-N 351.579 2.789 0 50 FFAA CCN(C)C(=O)[C@H](C)NC(=O)NCc1ccc(COc2ccccc2)cc1 241447004 NQKCBSMBEBBZCB-INIZCTEOSA-N 369.465 2.932 0 50 FFAA Clc1ccc(-c2noc(CN3CCC[C@H]3CN3CCOCC3)n2)cc1 174026896 XUJPKIHOEPKLBZ-INIZCTEOSA-N 362.861 2.687 0 50 FFAA C[C@]1(NC(=O)c2cc(N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 221371231 URGNOZQEDKDDGR-KRWDZBQOSA-N 370.902 2.637 0 50 FFAA COCCN1CCC[C@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 426410468 IPUMWKGQPDIOOH-QGZVFWFLSA-N 368.481 2.540 0 50 FFAA CSc1nc(C(=O)N2CCN(CCOc3ccccc3)CC2)cs1 220075606 MBCNYPOYGAUVIH-UHFFFAOYSA-N 363.508 2.702 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 82136996 VBVLZFWIEFOWJS-UHFFFAOYSA-N 361.449 2.912 0 50 FFAA CCCc1cc(CN(C)C(=O)NCc2nc(C)c3c(n2)CCCC3)n[nH]1 426439130 ZMXQZTURXMVYIR-UHFFFAOYSA-N 356.474 2.681 0 50 FFAA CN1C[C@@]2(CCN(C(=O)c3ccc(-c4ncccc4F)cc3)C2)OC1=O 426438712 AQNIXYPAONEYCM-LJQANCHMSA-N 355.369 2.554 0 50 FFAA Cc1cccc(N2CC[C@@H](CNC(=O)c3cc(C(C)(C)C)nc(=O)[nH]3)C2)c1 220313570 WUOFISBMCNEMOI-HNNXBMFYSA-N 368.481 2.632 0 50 FFAA C[C@@H]1Cc2cc(-c3ccc(CNC(=O)C4(N)CCOCC4)cc3)ccc2O1 498210201 NKMXJPPSYDCEFF-OAHLLOKOSA-N 366.461 2.801 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)s1 135921385 LZPGYNMKRPCZBQ-WTTBSCSTSA-N 351.424 2.783 0 50 FFAA Cc1c(CNC(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cnn1C 426599760 PGEWKMKJHOWFAZ-UHFFFAOYSA-N 370.432 2.833 0 50 FFAA O=C(Nc1ccc2nc(O)oc2c1)N1CCCN(Cc2ccccn2)CC1 426404132 DKGGMJLPLNRGMU-UHFFFAOYSA-N 367.409 2.668 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC([C@@H]4C[C@H](N)CCO4)CC3)ccc2n1 333292308 OUZHMQHYMHTXJS-QUCCMNQESA-N 353.466 2.902 0 50 FFAA O=C([C@H]1CCCCn2nnnc21)N(Cc1ccccc1)Cc1nccs1 97213016 ZINRKUDNGIQKOZ-HNNXBMFYSA-N 368.466 2.626 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 237489200 DNRDSFMDDPLLMW-ONGXEEELSA-N 364.799 2.894 0 50 FFAA O=C(O)[C@H](c1ccc(CCCO)cc1)N1CCN(C2CCCCC2)CC1 95376340 AMJCYSPGYWWXAR-FQEVSTJZSA-N 360.498 2.688 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)CC2)c1 95504636 CCVBEQHIMGOABW-LJQANCHMSA-N 363.461 2.630 0 50 FFAA CC(C)(C)c1ccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 91651011 UKMFDQVKJTTXIF-UHFFFAOYSA-N 372.509 2.821 0 50 FFAA Cc1ccc2nc(CCCNC(=O)C[C@H]3CN(C(C)C)CCO3)oc2c1 97711827 MLJMVSSUSFUEAY-INIZCTEOSA-N 359.470 2.684 0 50 FFAA Cc1ccccc1[C@H](C(=O)NC1CCN(Cc2ccco2)CC1)N(C)C 95531396 DUKNBBUBBCBGKF-HXUWFJFHSA-N 355.482 2.972 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(CCn3cnnc3C)CC2)c1 95529937 ULSNOXIJYVABHG-UHFFFAOYSA-N 371.485 2.726 0 50 FFAA CCc1cc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)ccn1 95384464 OBPZDGWLFDQNIO-UHFFFAOYSA-N 369.513 2.812 0 50 FFAA Cc1ccccc1CN1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91595670 ZLCDWVATNABGRK-UHFFFAOYSA-N 350.470 2.748 0 50 FFAA CN(C)CC[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccccc1 97475113 MRSBVWZJFMXLJP-HXUWFJFHSA-N 371.481 2.535 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cnc(-c2cccnc2)nc1 95356035 YDOUWBFMMPVBOS-UHFFFAOYSA-N 370.416 2.697 0 50 FFAA O=C(CN1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)NC1CCCCC1 91624717 ANTUVCDRWXSTGU-NRFANRHFSA-N 361.530 2.550 0 50 FFAA COc1ccc(CN[C@@H]2C[C@@H](C(=O)NC(C)C)N(C(C)C)C2)c(C)c1C 23374222 MSGHGPYOEWEOSI-MOPGFXCFSA-N 361.530 2.778 0 50 FFAA CCn1cc(CN2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cn1 23375515 WLIJDMRSCCHCBE-OAQYLSRUSA-N 367.541 2.998 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(Cc1c[nH]cn1)CC2 97295230 OFKXCOYFFHMLFO-HXUWFJFHSA-N 350.422 2.970 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cnc(N)nc2C(F)(F)F)n1 244794796 QTOGWCRGFQHYLR-VIFPVBQESA-N 370.335 2.561 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N12 248382015 VRDUDBDQAGEVGG-BRSBDYLESA-N 352.434 2.568 0 50 FFAA Cc1c(C(=O)N(C)[C@H]2CCNC2)cnn1-c1cccc(C(F)(F)F)c1 179100191 QYEGDIQDJXBHGF-AWEZNQCLSA-N 352.360 2.633 0 50 FFAA Cc1cccn(CC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)c1=O 181519092 VGLLXEFNUMNFQI-OAHLLOKOSA-N 350.422 2.528 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@H](NCc2ccc(F)cc2)CNC3=O)cc1 263617611 OSFWRTYYAAUEJH-IBGZPJMESA-N 366.396 2.730 0 50 FFAA O=C(Nc1cccc2[nH]nnc12)N1CCCN(Cc2ccc(F)cc2)CC1 299793567 IMQIZXYUAFCIMO-UHFFFAOYSA-N 368.416 2.837 0 50 FFAA C[C@@H](Cc1cccnc1)NC(=O)CCSc1nnc(-c2ccncc2)o1 827992543 XWZOINRECOZVTD-ZDUSSCGKSA-N 369.450 2.756 0 50 FFAA COc1ccc(CN2CCN(Cc3ccco3)CC2)cc1Cn1cccn1 824722766 LSQVBFUZFVYOAI-UHFFFAOYSA-N 366.465 2.851 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)C1(N2CCCC2)CCCCC1 952862718 QASJXNZLLXPHGP-UHFFFAOYSA-N 355.526 2.960 0 50 FFAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NC1(C(=O)O)CCOCC1 952964728 PGJLVKJFYYUBTH-MRXNPFEDSA-N 357.406 2.746 0 50 FFAA O=C(O)c1c(C(F)(F)F)cnc2[nH]cc(I)c12 77011260 SKWWDEVCYKPVLQ-UHFFFAOYSA-N 356.041 2.885 0 50 FFAA in-vitro C[C@@]1(C(=O)Nc2nc3cnccc3[nH]2)CCCN(C(=O)c2ccccc2)C1 760714372 JQZHQYOSWMKGOC-HXUWFJFHSA-N 363.421 2.839 0 50 FFAA CCn1ncc(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)c1C 1613881902 JZQSDILTWLWLAO-JXFKEZNVSA-N 364.449 2.747 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c1 1529152468 LTFAVRLWLBWROO-OXQOHEQNSA-N 365.481 2.760 0 50 FFAA C[C@@H](C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccc(O)cc1 1772708059 CSEBJEXWMPYQOE-UVQFAXKASA-N 366.465 2.952 0 50 FFAA COc1ccc(C(=O)N2CCCN(Cc3nnc(C4CC4)o3)CC2)cc1C 1772710198 PBKFMOROCHECLT-UHFFFAOYSA-N 370.453 2.612 0 50 FFAA Cc1ccc(C[C@]2(CCC(=O)NCCc3ccccn3)CCC(=O)N2)cc1 11911059 FVUQCPZNAQBGCT-QFIPXVFZSA-N 365.477 2.720 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cnn(C)c2)C1 12000086 RHRFWZJUTOJPCR-OAQYLSRUSA-N 371.481 2.817 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12138710 VQSJHJUIHXNNMY-HNNXBMFYSA-N 354.406 2.565 0 50 FFAA CC(=O)NCC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 12308418 SMJFJULQQUPSQD-UHFFFAOYSA-N 367.327 2.645 0 50 FFAA CSc1ncccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12386624 MAKLIGRTAVNXPO-OAHLLOKOSA-N 373.453 2.516 0 50 FFAA CSCCNC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 14962214 JQZSGLUVISTXML-NSHDSACASA-N 366.512 2.683 0 50 FFAA CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1 1074564 MLQRPLLANXCIDR-UHFFFAOYSA-N 354.815 2.548 0 50 FFAA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2O)cc1OC 754518 IRQSIVDTWQSFKY-CSKARUKUSA-N 358.419 2.936 0 50 FFAA CCN(CC)[C@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccco1 157934554 YAKGWIVYKPJHFY-QGZVFWFLSA-N 359.474 2.975 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 4099911 BJRDSGROVGTIMG-IBGZPJMESA-N 370.474 2.952 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccco1 6744126 SVBQWEIRYGWVGW-UHFFFAOYSA-N 362.451 2.693 0 50 FFAA O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 2465341 NSUFPOBBRIJOEY-UHFFFAOYSA-N 368.455 2.927 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3ncc(F)cn3)C1)CC2 1857695350 FUBZHZPCEUGIQR-IBGZPJMESA-N 357.433 2.893 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3ccn4nccc4c3)C2)n1 1857727314 PTWZRJYZTNPVTG-HNNXBMFYSA-N 353.426 2.936 0 50 FFAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCC2CCN(Cc3ccccc3)CC2)C1 247441765 XOHANDUFZRYKHN-MOPGFXCFSA-N 358.482 2.906 0 50 FFAA CCOP(=O)(OCC)[C@H](NC(=O)OCc1ccccc1)C(=O)OC 16698166 KREPFQCNXAYHAW-ZDUSSCGKSA-N 359.315 2.678 0 50 FFAA in-vitro CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc(Br)nc2)C1 266874935 AVVZLGYKUODRPR-LLVKDONJSA-N 370.247 2.583 0 50 FFAA C[C@@H]1c2ccccc2N(C(=O)COC(=O)c2nc[nH]c3nccc2-3)[C@@H]1C 1875294200 DBEFZHQBEYXBBF-NWDGAFQWSA-N 350.378 2.605 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(C(=O)Nc3ccccc3)cc2)cn1 1875384843 JFOYAJZJIXDODO-UQBPGWFLSA-N 362.433 2.936 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3ccccc3)O[C@H](C)C2)C1 1875379139 NERAUVDUYGVAEO-NZSAHSFTSA-N 356.466 2.790 0 50 FFAA CC1(C(=O)N2CC3(C2)CN(c2ncc4ccccc4n2)C3)CC(F)(F)C1 1875406846 NKNXFOPNFWQDCO-UHFFFAOYSA-N 358.392 2.714 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCc2ccc3ccccc3n2)C1 888077819 XBVFEABMBJZMHX-SJLPKXTDSA-N 350.422 2.879 0 50 FFAA Cc1cc(C)cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 2325842736 GXTYFMYSDFQDJY-MRXNPFEDSA-N 354.454 2.794 0 50 FFAA FC(F)(F)c1cc(-c2ccco2)n[nH]c1=NC1CN(c2ccncc2)C1 2325859889 OOVROFSKHHHTTP-UHFFFAOYSA-N 361.327 2.873 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@]3(CCCC[C@H]3O)C2)cc1 2325889943 FLLBERRJNLIUHC-NQIIRXRSSA-N 356.466 2.993 0 50 FFAA O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1cnn([C@H]2CCOC2)c1 131908721 DGPLQYITVRMPKP-ZDUSSCGKSA-N 374.422 2.664 0 50 FFAA COc1cc(OC)c(C(=O)N2CCN(c3ccccc3F)CC2)cc1OC 808376 VIUINZQFDFZRBE-UHFFFAOYSA-N 374.412 2.814 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccnnc3)C2)c2cccc(=O)n21 2356139146 CCFLRZWXFXXNBJ-AOIWGVFYSA-N 366.465 2.875 0 50 FFAA OC1CCN(c2nccn3c(-c4ccc(C(F)(F)F)nc4)cnc23)CC1 2356156253 YVZHWOCUHBFTQL-UHFFFAOYSA-N 363.343 2.771 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cnn3cc(C)ccc23)C1=O 2356169351 QSFLARRXJOOBCM-HXUWFJFHSA-N 354.454 2.650 0 50 FFAA c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCO2 4262173 FNLYUKLFZWCJFZ-UHFFFAOYSA-N 360.406 2.949 0 50 FFAA CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2nc3ccc(C)cc3s2)C1 4992843 QSDSOMBMKSFXJZ-CYBMUJFWSA-N 361.467 2.818 0 50 FFAA O=C(CC(=O)Nc1ccc(F)c(Cl)c1)NCc1cn2ccsc2n1 55252624 QTULVMACGPGXED-UHFFFAOYSA-N 366.805 2.833 0 50 FFAA Cc1nc2sccn2c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 20539850 KCXIXCDYQYAQIU-KRWDZBQOSA-N 362.543 2.906 0 50 FFAA Cc1sc(Cl)nc1C(=O)NCc1ccc(OCCN(C)C)cc1 225464669 POJPBUXYDQHCRW-UHFFFAOYSA-N 353.875 2.975 0 50 FFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1scc2c1CCCC2 65384053 GABJHUZRJFBDDL-GOSISDBHSA-N 371.506 2.825 0 50 FFAA CC(C)(C)c1nc(Cn2ncc(N3CCc4ccccc4C3)cc2=O)no1 20725211 NCOGXMBFPNKDDV-UHFFFAOYSA-N 365.437 2.535 0 50 FFAA COc1cccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)c1OC 20909583 BOQIVBYHWOTKLB-SFHVURJKSA-N 350.503 2.619 0 50 FFAA c1cc(CN2CCOCC2)cc(-c2ccc(CN3CCNCC3)cc2)c1 67695249 ZRORVLIVACZFKL-UHFFFAOYSA-N 351.494 2.591 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)nc1 67674388 ZGQSLDRFKQUPRT-UHFFFAOYSA-N 370.840 2.815 0 50 FFAA COc1ccc(CNC(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1 72133003 YTJLXILJHJWHCA-KRWDZBQOSA-N 359.470 2.772 0 50 FFAA COc1ccc(OC2CCN(C(=O)CCCN3CCCCC3=O)CC2)cc1 77303418 NIJYACRKFMYUDL-UHFFFAOYSA-N 374.481 2.858 0 50 FFAA CCc1nc(=O)c(CC(=O)N(C)Cc2[nH]c3ccccc3c2C)c(C)[nH]1 215701940 ZPBSOBVXCCHSCR-UHFFFAOYSA-N 352.438 2.632 0 50 FFAA CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCN3CCC[C@H]3C2)ccn1 252442064 GDYLNBNVVICGIA-AEFFLSMTSA-N 360.502 2.885 0 50 FFAA O=C(NCCN1CCc2sccc2C1)Nc1cnn(CC(F)(F)F)c1 151860789 BKJJYPJPDSNCOX-UHFFFAOYSA-N 373.404 2.687 0 50 FFAA COC(=O)NCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 170629810 LLXXSGOJNZMFSN-OAHLLOKOSA-N 371.368 2.746 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N[C@@H](C)c3nc(CC(C)C)no3)nn2c1 216514032 NLUAIKMKASKDNC-JTQLQIEISA-N 362.821 2.764 0 50 FFAA COCCCN1C[C@]2(CCCN(C(=O)Cc3ccccc3C)C2)CCC1=O 77470158 FIXLYBYXIWQOEL-QFIPXVFZSA-N 372.509 2.805 0 50 FFAA Cc1nc2c(c(NCc3ccsc3)n1)CCN(C[C@H]1CCOC1)CC2 72476483 CIWJOCVKRNXEAO-MRXNPFEDSA-N 358.511 2.896 0 50 FFAA Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3ccccc3)cc1)CC2 170737449 NUHRAGUPZICJTD-QGZVFWFLSA-N 368.462 2.547 0 50 FFAA O=C(NCc1cccnc1)c1cc(NCCN2CCCCCC2)ccn1 72167787 SOKJNUOVTXYREZ-UHFFFAOYSA-N 353.470 2.695 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3ccnc(N)c3)CC2)OC1=O 77342558 YGYUXXVOHVCWTI-UHFFFAOYSA-N 360.458 2.671 0 50 FFAA CCn1c(C)cc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1C 223210418 ZHZNXKLJWYPUBJ-RTBURBONSA-N 357.454 2.624 0 50 FFAA CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N[C@@H]1CCCC[C@H]1C 241684844 QFQUATZKECSLBY-CZUORRHYSA-N 367.440 2.920 0 50 FFAA CN(C)c1ccc(CCC(=O)NCc2csc(-c3cnccn3)n2)cc1 223146850 SHWSRDNYYUUCON-UHFFFAOYSA-N 367.478 2.915 0 50 FFAA CCCn1nc(C)c(CNC(=O)Cn2c(C)cc(=O)c3ccccc32)c1C 222771593 JKOITBPOMVYVBJ-UHFFFAOYSA-N 366.465 2.850 0 50 FFAA CN(CC(=O)N1CCC[C@@H](OCc2ccccn2)C1)Cc1ccccc1F 222737211 VWPWEPQEHOYFAF-LJQANCHMSA-N 371.456 2.860 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1OCc1cscn1 222320212 GXTCWXIUZPZNDG-RTBURBONSA-N 372.490 2.739 0 50 FFAA Cn1nnc2c(C(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)ccnc21 283253829 QMNITOKUXXBARE-DZGCQCFKSA-N 355.442 2.507 0 50 FFAA CN(CCNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C1CCCC1 173554522 OJVCKZRLIFGPFE-UHFFFAOYSA-N 371.437 2.717 0 50 FFAA CSc1ccc(CN(CCO)C(=O)CC[C@H]2CCCCN2C)cc1 95370923 YFHVLOUSARVTFX-QGZVFWFLSA-N 350.528 2.994 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](c1nccn1C)C1CCOCC1)CC2 286601306 ASYHDTBDPKFGRN-PKOBYXMFSA-N 369.465 2.743 0 50 FFAA COc1nccnc1N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91966464 LDRSYIQILHYRBR-INIZCTEOSA-N 350.426 2.509 0 50 FFAA CCn1nc(COc2ccc(F)cc2)nc1-c1ccc(OCC(N)=O)cc1 96161983 IDLTXFMKNKCEIH-UHFFFAOYSA-N 370.384 2.547 0 50 FFAA Cc1ccccc1CN(C(=O)[C@@H]1CCC(=O)NC(=O)N1)C1CCCCC1 97495126 QFEVTUKESFCUKE-KRWDZBQOSA-N 357.454 2.645 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)[C@H](c1cccnc1)N1CCCC1 95503319 VBWSBQNLRURNKC-FQEVSTJZSA-N 351.450 2.860 0 50 FFAA CCCNC(=O)OC[C@H]1CCCCN1Cc1cnc2c(c1)c(C)nn2C 287456681 QZEVONILJZQVRG-MRXNPFEDSA-N 359.474 2.767 0 50 FFAA COc1cccc(OC2CN(C(=O)c3nc4cc(C)ccn4c3F)C2)c1 92066719 RCOGKYJDIOVPCZ-UHFFFAOYSA-N 355.369 2.694 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cnc(-c2ccncc2)nc1 95363956 PEFCZZWHFNPYCE-UHFFFAOYSA-N 362.368 2.826 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1Cl 239433419 XQTMZTLWLKIUCR-BTHOMQSPSA-N 370.836 2.722 0 50 FFAA CCC[C@H](NC(=O)c1cnc(-c2cccc(C)c2)[nH]c1=O)c1nccn1C 91679017 DXSGZRGCDNDSHU-INIZCTEOSA-N 365.437 2.750 0 50 FFAA Cn1cnc2cc(C(=O)NCc3nc(Cc4cccs4)no3)ccc21 97076504 KRZIYWGWKHTQSB-UHFFFAOYSA-N 353.407 2.539 0 50 FFAA O=C(C[C@@H]1CCc2ccccc21)NC1CCN(C(=O)c2ccncc2)CC1 91997921 QWVDCZSMQCAGKC-SFHVURJKSA-N 363.461 2.923 0 50 FFAA Cn1cc(-c2noc(C(C)(C)Oc3ccc(Cl)cc3)n2)c(O)nc1=O 289089150 NSQDEOSGVLCRHM-UHFFFAOYSA-N 362.773 2.503 0 50 FFAA OCCn1nc(C2(c3ccccc3)CC2)nc1Cc1cn2ccsc2n1 96149608 JPBWDCYPVIEJQN-UHFFFAOYSA-N 365.462 2.650 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95381906 XCIOMWVDTJGSHE-INIZCTEOSA-N 366.465 2.641 0 50 FFAA CC[C@H](CNC(=O)N1CCc2[nH]c3c(C)cccc3c2C1)N1CCOCC1 534575299 QIDCKRMQHAJGOA-MRXNPFEDSA-N 370.497 2.655 0 50 FFAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)NCC3CCOCC3)c2)cc1 299795785 MBWPUUNTKOGQHP-UHFFFAOYSA-N 373.474 2.914 0 50 FFAA CC1(CNC(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)COC1 299774534 FAHULNRZNWAWMT-UHFFFAOYSA-N 359.447 2.523 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 299788275 WGQDLSQXAIJWLC-MRXNPFEDSA-N 352.390 2.639 0 50 FFAA COc1cc(C(=O)N[C@@H]2COc3c(cccc3OC)C2)c2ccccc2n1 824852830 IMRUOCBDERLEOG-AWEZNQCLSA-N 364.401 2.986 0 50 FFAA COCc1nc([C@H]2CCCN(c3ccccn3)C2)n(-c2cccc(C)n2)n1 584886091 RZZJAWZCADYWJO-INIZCTEOSA-N 364.453 2.896 0 50 FFAA CCCCc1nc(CN2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)c(Cl)[nH]1 1073339509 ZAMIWLGDXLZBEJ-KBPBESRZSA-N 367.925 2.984 0 50 FFAA CCOc1cc(CN(C)C(=O)CCN2CCCCCC2=O)ccc1OC 952979958 BJBMXQZUKHPEJC-UHFFFAOYSA-N 362.470 2.845 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)ccc1F 1565529787 OZNJUIHRVJXCDM-QAPCUYQASA-N 367.424 2.906 0 50 FFAA COc1cc(C2(C(=O)N3CCO[C@@H](CC(=O)O)C3)CCCC2)ccc1C 269023300 JHFZZXYBAAECDI-INIZCTEOSA-N 361.438 2.518 0 50 FFAA CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@]2(C1)OCc1ccccc12 184021912 IPIRNIYRRCGOTP-LJQANCHMSA-N 372.446 2.753 0 50 FFAA CO[C@@](C)(C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccccc1F 192093337 FJDDJGSLECIOKG-RHSMWYFYSA-N 350.415 2.744 0 50 FFAA NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1 195496820 RZRWIQXRLCDBNW-KRWDZBQOSA-N 350.484 2.660 0 50 FFAA CN1CCN(c2ccncc2NC(=O)[C@H]2C[C@H]2Cc2ccccc2)CC1 755222520 AVDTZEQYNHVXFQ-MSOLQXFVSA-N 350.466 2.651 0 50 FFAA O=S(=O)(c1cc(F)cc(F)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 119137345 LZLSAUNWHOFVPA-GOSISDBHSA-N 367.417 2.927 0 50 FFAA Cc1cc(C)n2ncc(CN3CCCN(C(=O)c4cccs4)CC3)c2n1 1772815366 JINOCZVZPLTVLF-UHFFFAOYSA-N 369.494 2.756 0 50 FFAA COc1cc(C(=O)N(C)[C@H](C)c2ccon2)ccc1OC1CCN(C)CC1 11720642 ACBQKMFARLNXIH-CQSZACIVSA-N 373.453 2.989 0 50 FFAA COCCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11957466 GQDBERMPXFLYTF-CQSZACIVSA-N 372.387 2.597 0 50 FFAA COC(=O)CC[C@H]1CN(CC2CCCCC2)CC[C@H]1N1CCOCC1 12333798 XEZSJQLDLFXCIZ-RBUKOAKNSA-N 352.519 2.543 0 50 FFAA COC[C@H]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 12587445 QOWVGXLNZVTFPG-NSHDSACASA-N 352.337 2.640 0 50 FFAA COc1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)ccc1F 19836269 QWVJFNKFEJNEGR-IBGZPJMESA-N 373.472 2.607 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3cccc(F)c3)n2)cc1OC 4943480 CBUUDJAFSNXJKE-UHFFFAOYSA-N 357.341 2.823 0 50 FFAA CCOCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccccc3CC)C2)C1 1857690927 VEBNRSCOHIXNKM-IFMALSPDSA-N 374.525 2.575 0 50 FFAA O=C(/C=C/c1ccccc1)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857719701 SZJBGJKTYSPHMN-OSUVXIFVSA-N 351.446 2.514 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCc3cccc(Cl)c3)C[C@]23CC[C@H]1O3 1857726894 HNXGGQGEELEZPM-JRBPQWBISA-N 362.901 2.840 0 50 FFAA FCCn1ncnc1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 225636114 RYRPUUOVXVEDEK-UHFFFAOYSA-N 371.382 2.584 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CCC([C@@H]2C[C@H](N)CCO2)CC1 333267430 JUQNQBOGXNUTQX-MJGOQNOKSA-N 368.481 2.539 0 50 FFAA CC(C)(C)[C@@H]1CN(C(=O)c2cn([C@@H]3CCCNC3)nn2)c2ccccc21 333604304 QXWAJZPPLBEIGM-GDBMZVCRSA-N 353.470 2.993 0 50 FFAA Cn1ccc(-c2noc([C@@H]3CN(C(C)(C)C)C[C@H]3C(F)(F)F)n2)cc1=O 351270101 ZCHMMBPSHKCCQI-VXGBXAGGSA-N 370.375 2.812 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(NC(N)=O)c1 252493979 NHXRWBALYCOLDS-CYBMUJFWSA-N 356.401 2.667 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)sc2ccc(F)cc12 368803162 AWJNRRHTRNPVEN-ZDUSSCGKSA-N 361.442 2.979 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c(F)c1F 916405281 ZZCRZLCFBOFVJV-ZCFIWIBFSA-N 371.287 2.715 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1cccc2c1CCN2C(=O)OC(C)(C)C 859966918 SLUQATRQZSYQBO-UHFFFAOYSA-N 359.426 2.567 0 50 FFAA Cc1cc(Cn2c(Cc3ccc(F)cc3)noc2=O)nc(C2CCC2)n1 1875318482 RUAVCOPAJZFZEP-UHFFFAOYSA-N 354.385 2.980 0 50 FFAA CC1(C)[C@H](C(=O)O)CCN1S(=O)(=O)c1cccc([C@H]2CC2(F)F)c1 1875395427 XIPLDCXWABGVSK-QWHCGFSZSA-N 359.394 2.683 0 50 FFAA CCn1nc2c(c1C(=O)N(C)CCNc1ccccn1)C[C@H](C)O[C@@H]2C 1875314039 DZHLHBWKLXWNTA-UONOGXRCSA-N 357.458 2.504 0 50 FFAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1N2Cc1ccccc1)c1nnc(O)c2ccccc12 1875332033 AHNIOIQUEAQUDV-KFKAGJAMSA-N 374.444 2.871 0 50 FFAA Oc1nc(CN2CCCc3c(OC(F)F)cccc32)nc2c1COCC2 878655538 SPOMABHDPNTVGA-UHFFFAOYSA-N 363.364 2.809 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N5CCC[C@]6(C=Cc7ccccc7O6)C5)[C@@H]4[C@@H]3[C@@H]12 887790955 XWLPFMGQXOYUEA-ULLCGZIBSA-N 373.452 2.780 0 50 FFAA CC(C)c1nsc(N2CCC3(CC2)CNC(=O)c2ccccc2O3)n1 895582681 VYDXNSQQAMPJFL-UHFFFAOYSA-N 358.467 2.823 0 50 FFAA O=C1C[C@H](Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1 100138125 JRUHCKDTQXYWJG-AWEZNQCLSA-N 357.439 2.603 0 50 FFAA COc1ccc(CC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c(Cl)c1 2325739318 LISAIQMKOCGMQC-RCBQFDQVSA-N 350.846 2.536 0 50 FFAA CCSC1(C(=O)N[C@@H]2Cc3ccc(Br)cc3NC2=O)CC1 2325781526 BMKQCIAAGVYKPA-GFCCVEGCSA-N 369.284 2.714 0 50 FFAA CC1(C)CO[C@H](C(=O)O)CN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 2325812937 VMBOQBOVZFNFGU-SCRDCRAPSA-N 371.355 2.900 0 50 FFAA C[C@H]1CCNC(=O)[C@@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2325839621 ZJAJZQWPEBEAPQ-XJKSGUPXSA-N 363.417 2.997 0 50 FFAA O=C(CCC(=O)c1cccc(Cl)c1)N[C@H]1C(=O)NCc2ccccc21 2325851240 SWNCSKMRCQDARI-GOSISDBHSA-N 356.809 2.790 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 2325888790 ZXALQMCLHPQGHT-CVEARBPZSA-N 358.486 2.664 0 50 FFAA CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cnn(C2CCCC2)c1 901766209 OXJXKVXJRWLIBD-GOSISDBHSA-N 363.483 2.998 0 50 FFAA NCC1([C@@H]2CCCCN2S(=O)(=O)c2cccc3ncccc23)CCC1 903545681 AKILJUAPFMBUHA-SFHVURJKSA-N 359.495 2.907 0 50 FFAA O=Cc1cc(Br)ccc1OCC(=O)NCCc1ccccc1 1134332 NZCBXHUUOGBMDW-UHFFFAOYSA-N 362.223 2.999 0 50 FFAA O=C(N[C@H]1COC[C@H]1O)c1ccc(-c2cnc3cc(F)ccc3c2)cc1 2356141934 WTTVMEFXGXZIMF-RBUKOAKNSA-N 352.365 2.530 0 50 FFAA Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccccc1 2860631 PEDKOOIUVHYYDD-UHFFFAOYSA-N 368.418 2.911 0 50 FFAA CNc1ncccc1CN1CCC2(CC1)OCCc1sc(C(=O)O)cc12 2356162754 QWYQAKNAQJKZCQ-UHFFFAOYSA-N 373.478 2.947 0 50 FFAA Cc1cccc(CN2CCN(CCCc3ccccc3)C[C@H]2CCO)n1 104302698 ICBPZTDGQCWJBF-JOCHJYFZSA-N 353.510 2.891 0 50 FFAA COC[C@H](NC(=O)CCSCc1ccc(F)cc1)c1ccnn1C 55073219 FQUFUALHNDCGRU-HNNXBMFYSA-N 351.447 2.686 0 50 FFAA CC(C)c1noc(CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)n1 67447121 MZNOTBALULKPPP-UHFFFAOYSA-N 355.398 2.767 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)c2n1 170597607 HQHLJVQOKKLSMB-OAHLLOKOSA-N 367.428 2.523 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C1 246992428 GOGBRKMJOFICFT-DNVCBOLYSA-N 371.437 2.650 0 50 FFAA CCN1C[C@H](CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)CC1=O 67954794 GTBDDLUKJVXDLC-INIZCTEOSA-N 363.465 2.697 0 50 FFAA CNC(=O)c1cccnc1N1CCC(n2cc(-c3ccccc3)nn2)CC1 63856705 CXIJIVWBYBSTMV-UHFFFAOYSA-N 362.437 2.541 0 50 FFAA Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@@H]2c1cccc2nsnc12 65461755 XWVQXXZVGNXPMG-LLVKDONJSA-N 362.418 2.961 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3ccccn3)cnn2c1 67850328 HOAKFTJNOTZPQF-OAHLLOKOSA-N 366.469 2.799 0 50 FFAA O=C(O)c1[nH]ncc1CN1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 67676736 DEQOKWPMNUMKND-HNNXBMFYSA-N 365.437 2.801 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)N(C(=O)OCc2ccccc2)C1 306948835 UMIGHSYDRZFWNL-HOTGVXAUSA-N 364.442 2.673 0 50 FFAA OC[C@]1(CCCc2ccccc2)CCCN(c2ncnc3[nH]cnc23)C1 67895551 LWNYYCMWVFYQMX-HXUWFJFHSA-N 351.454 2.955 0 50 FFAA CCc1nc(N[C@H](CCn2cncn2)c2ccccc2)c2cnn(C)c2n1 72161942 NFWNGKHUECUIBS-MRXNPFEDSA-N 362.441 2.761 0 50 FFAA O=C(CCN1CCO[C@H](C(F)(F)F)C1)NCc1ccc(Cl)cc1 71681231 AUTFKXIXTSSINP-ZDUSSCGKSA-N 350.768 2.609 0 50 FFAA O=C(c1ccc2ccccc2n1)N1CCCO[C@@H](CN2CCCCC2)C1 216315915 BKAAHMQENIWOEH-SFHVURJKSA-N 353.466 2.952 0 50 FFAA COC(=O)c1c(NC(=S)N2CCOCC2)sc2c1CC[C@@H](C)C2 6201418 HRJMSSYOFFVKMO-SNVBAGLBSA-N 354.497 2.689 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC[C@@H]1CCn1cccn1 77355864 DAYIJOHGDYRVGN-MRXNPFEDSA-N 354.454 2.535 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CNCc1ccc(C(F)(F)F)cc1 15063516 NOBQKGZPHAINLI-KRWDZBQOSA-N 356.388 2.559 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 237939597 BUHQPNKIRUVLSF-KRWDZBQOSA-N 358.438 2.669 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(c2ncncc2C(C)C)CC1 77523381 JHMFTFGQKLBQDH-UHFFFAOYSA-N 357.506 2.657 0 50 FFAA COc1ccccc1-c1ccc(N2CCC[C@H](CN3CCCC3=O)C2)nn1 71614451 OILLYCPAGVWNBF-INIZCTEOSA-N 366.465 2.991 0 50 FFAA CC(C)[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1nccn1C 77542080 PZTGOELGSSMELX-QGZVFWFLSA-N 353.426 2.916 0 50 FFAA Clc1cc(CN2CCC(Oc3cnccn3)CC2)cc2c1OCCO2 330180076 FTAILRQLJNCDKH-UHFFFAOYSA-N 361.829 2.945 0 50 FFAA O=c1n(Cc2cc(F)ccc2F)nc([C@H]2CCCNC2)n1-c1ccccc1 71758813 SIBNOAUNUQUBJI-AWEZNQCLSA-N 370.403 2.828 0 50 FFAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2O)cc1 363207387 CNLMDSIRNDOGIS-GOSISDBHSA-N 368.433 2.963 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N3CCCN(Cc4cccs4)CC3)c2C1 72480075 XHRLALNKCSAQIR-CQSZACIVSA-N 358.511 2.944 0 50 FFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](N(C)C)CC3)c2n1 72172555 WCEJIAIMLOIWCL-LBPRGKRZSA-N 369.391 2.613 0 50 FFAA COc1ccnc(N2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)n1 215711180 IIZJKOGJXJEXGV-MRXNPFEDSA-N 358.442 2.642 0 50 FFAA O=C(Nc1ccc(F)c(C2CC2)c1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 374184605 ALSOLMBKFFJBEY-CYBMUJFWSA-N 356.401 2.771 0 50 FFAA CC(C)Oc1ccc(CNC(=O)N2CCC(c3ccnn3C)CC2)cn1 156498947 RZEDJSLXKSBVCA-UHFFFAOYSA-N 357.458 2.692 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)n1[C@H](C)c1ccccc1 262560623 YHYBMNGDIOMSJZ-RDTXWAMCSA-N 356.422 2.640 0 50 FFAA O=C(NC[C@H](c1ccncc1)N1CCOCC1)c1cc(Cl)ccc1F 215399737 OXXHMLWJIYRAAQ-QGZVFWFLSA-N 363.820 2.677 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H]3CCCC(F)(F)C3)C2)n1 333005275 NJFSJPBJPZVYMR-LSDHHAIUSA-N 355.433 2.894 0 50 FFAA CN1CCC(Cc2noc(-c3cn(Cc4c(F)cccc4F)nn3)n2)CC1 72156285 KQJBKQPFBHQOBV-UHFFFAOYSA-N 374.395 2.539 0 50 FFAA CCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72478561 VXDKTGCLYBEKSE-OAQYLSRUSA-N 358.482 2.844 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cccnn2)CCCN1Cc1ccc(F)cc1 71755095 ARIGQMKQXABJIR-LJQANCHMSA-N 356.445 2.988 0 50 FFAA C[C@@](O)(CNC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)O 262983095 CGFYJBUJAGCXFV-QGZVFWFLSA-N 352.456 2.820 0 50 FFAA Cc1cc(C(=O)N2CCCc3ccccc3C2)cc(S(N)(=O)=O)c1C 171624757 BNLGDVIKJNLLAK-UHFFFAOYSA-N 358.463 2.539 0 50 FFAA C[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccccc3)c(=O)n12 226441037 KUYHKBCSBWUZAH-IFZKLSFWSA-N 362.454 2.706 0 50 FFAA CCOc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 82120117 DFCGSXOWYVDHCB-OAQYLSRUSA-N 360.498 2.672 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc2ccc(OC)cc2n1C 82157423 OQUGPRAHPILHAQ-INIZCTEOSA-N 357.454 2.660 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 223873974 NESFZNWTJFVTOK-ZIAGYGMSSA-N 361.467 2.936 0 50 FFAA CCN(CC)c1nc(Cl)nc(O/C=C(/C(=O)OC)c2ccccc2)n1 221528634 GLXAEMHXLMCDTH-ACCUITESSA-N 362.817 2.964 0 50 FFAA COc1ccc(C2(CNC(=O)N3CCc4nc[nH]c4C3)CCCC2)cc1 426701660 RNKMPYVIJYQJGM-UHFFFAOYSA-N 354.454 2.998 0 50 FFAA CCC[C@@H]1CN(C(=O)COc2ccc(Cl)cc2C)C[C@H]1NC(C)=O 82087192 GYYZBWUGXSNOHN-GDBMZVCRSA-N 352.862 2.790 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ccccc2)C(=O)C1 82146269 JLZFCJRXCQULTM-UHFFFAOYSA-N 373.416 2.709 0 50 FFAA O=C(c1cc2ncc(CCO)cn2n1)N1CC[C@@H](c2ccccc2Cl)C1 426555867 HPZQZUISQZPRBM-CQSZACIVSA-N 370.840 2.547 0 50 FFAA O=C(c1ccc(OC2CCOCC2)cc1)N1CCOc2cc(O)ccc2C1 286332712 VJSFUFUJVZZHEL-UHFFFAOYSA-N 369.417 2.985 0 50 FFAA Cc1c(C(=O)NC[C@H]2CCOc3ccccc3C2)sc2nc[nH]c(=O)c12 97323922 OKZNWCFWYGKXDM-LBPRGKRZSA-N 369.446 2.664 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(c2nc(C)cc(C)n2)CC1 95512215 RZEQFHYRNIWLTG-IBGZPJMESA-N 373.545 2.691 0 50 FFAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1Cl 91548612 AYEKPSXYPXSSTP-UHFFFAOYSA-N 350.846 2.823 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)CN1CC2(CCCCC2)CC1=O 95498639 ZOTPNZYEDUYSRT-UHFFFAOYSA-N 359.470 2.695 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 426498353 AYBLINQTTHCVTN-HXUWFJFHSA-N 370.497 2.942 0 50 FFAA O=C1CC2(CCN(Cc3cncnc3)CC2)CN1CCCc1ccccc1 92099552 MPOQPSFMIZFYSA-UHFFFAOYSA-N 364.493 2.924 0 50 FFAA COc1ccccc1CN1CCN(c2cc([C@H]3CCOC3)nc(C)n2)CC1 426414878 VXOOKSLDHPKPGM-SFHVURJKSA-N 368.481 2.620 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(Cc2ccccc2)CC1 426412980 OSNGOVNPDIJEBF-HXUWFJFHSA-N 366.509 2.831 0 50 FFAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cnc2c(c1)nnn2C 287123119 WLERXCSIZABXEM-SUMWQHHRSA-N 365.437 2.985 0 50 FFAA Cc1noc(C2CCN(C(=O)c3ccn(-c4c(F)cccc4F)n3)CC2)n1 176096388 XRWBYCXXNQBYEA-UHFFFAOYSA-N 373.363 2.862 0 50 FFAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(-c2ccc(O)cc2)cc1 426386506 YPZFCQRJNRLLPE-PMACEKPBSA-N 352.434 2.652 0 50 FFAA O=C(CSc1ccncc1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91876838 XVMIXSFMWKOQKD-ZWKOTPCHSA-N 368.506 2.692 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91693706 TZPRRAJRHUXIPF-MRXNPFEDSA-N 365.437 2.951 0 50 FFAA Cc1ccc(-c2ncc(C(=O)NC[C@H](c3ccco3)N(C)C)c(O)n2)cc1 91951099 HAHZZLJMZUKSOS-MRXNPFEDSA-N 366.421 2.783 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC(c3nccn3C)CC2)cn1 92066256 CIWRGFWVUYULRM-UHFFFAOYSA-N 365.437 2.634 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nccn3C)CC2)cc2sc(N)nc12 91664296 UFNOJSCMRMSUOF-UHFFFAOYSA-N 355.467 2.940 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)NCC2(Cn3cccn3)CC2)cc1 96152173 KKPVEAYIHGAOHI-UHFFFAOYSA-N 350.426 2.979 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)c1 97655335 TZSNMRTVLBEJEX-HNNXBMFYSA-N 356.430 2.540 0 50 FFAA CC(=O)c1cc(CC(=O)NC2CCN(C3CCSCC3)CC2)cs1 97814866 BGHSCLNIBQBLFB-UHFFFAOYSA-N 366.552 2.969 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(Cn3ccnc3)o1)C2 95519506 YEDKJRBKYWQDAM-AWEZNQCLSA-N 367.405 2.514 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(c1ccc(-c3nc(C)no3)cn1)C2 91574132 AATFJKQPASXBQN-DLBZAZTESA-N 367.453 2.833 0 50 FFAA CN(Cc1cc(=O)n2ccsc2n1)Cc1c[nH]nc1-c1ccc(F)cc1 244764159 PCICETFMOMJMQV-UHFFFAOYSA-N 369.425 2.917 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1Cl 245227595 KPNMDLILISIXJP-HBRAGZAPSA-N 370.836 2.704 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)NC[C@@H]1CC(=O)N(C2CCCC2)C1 244742285 OEVGEORFUURRIT-AWEZNQCLSA-N 360.429 2.696 0 50 FFAA COC(=O)[C@]12[C@H]3[C@@H]4[C@H]1[C@H]1CC5(SCCS5)[C@]4(Br)[C@@H]3[C@@H]12 252428132 QXEYKUYDOGJKCT-TVUXIIDMSA-N 359.310 2.611 0 50 FFAA CC(C)[C@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)c2ccccc2N1 294796952 BEESVMMWXLTWSA-GDBMZVCRSA-N 350.484 2.685 0 50 FFAA COc1ccc(CC[C@@H]2CCCN(C(=O)CSc3ncn[nH]3)C2)cc1 71746603 QBKCLJVDCRTRDD-HNNXBMFYSA-N 360.483 2.777 0 50 FFAA CN1CCC[C@]2(CCCN(C(=O)C(C)(C)NC(=O)c3cccs3)C2)C1 55327583 KJTLHCSBEWZPSQ-IBGZPJMESA-N 363.527 2.591 0 50 FFAA O=C(Nc1ccc(CN2CCOCC2)cc1)NC1Cc2ccccc2C1 299784222 HISGJMGVUBRKJS-UHFFFAOYSA-N 351.450 2.808 0 50 FFAA CC[C@@H](C)Cc1nc(CCn2c(C)cccc2=O)n(-c2cccnc2)n1 822620042 QMOUJCLFZPWCOD-OAHLLOKOSA-N 351.454 2.964 0 50 FFAA C[C@@H](c1ccccc1)c1cc2c(=O)n(CCc3ncnn3C)cnc2s1 670456082 LIRUAFMHRNGZGR-ZDUSSCGKSA-N 365.462 2.981 0 50 FFAA COc1ccc2nc(O)c(CNCc3ccc4nc(O)[nH]c4c3)cc2c1 952984511 WUQLPZMONRRMNS-UHFFFAOYSA-N 350.378 2.821 0 50 FFAA CN1[C@H]2CCC[C@@H]1Cc1nc(N)c(C#N)c(-c3cccc(OCCO)c3)c12 75991362 JSNJXZMCHXAXME-KDOFPFPSSA-N 364.449 2.655 0 50 FFAA C=CC(=O)N(C)CC(=O)N=S1(=O)c2ccccc2Nc2ccccc21 1472073286 REHRTIQRWQNGFK-UHFFFAOYSA-N 355.419 2.801 0 50 FFAA CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1O 273949525 MOVCOIXMJZZAHE-NWDGAFQWSA-N 366.405 2.518 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3ccccc3)CC2)cn1 275718984 YWIVZOMHWOGAQC-LEWJYISDSA-N 354.498 2.894 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1nc(O)nc2ccccc12 1506427358 XTKPMVMRDWDIQS-HNNXBMFYSA-N 362.433 2.934 0 50 FFAA CCc1nn(C)c(NC(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)c1CC 1506405039 BMVGNXMAWBAYQS-AWEZNQCLSA-N 356.426 2.618 0 50 FFAA CCCN1CCCn2nc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2C1 212463917 AIGBOEGVMRNEJX-UXHICEINSA-N 352.482 2.919 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)COCc3ccccc3)CC[C@@H]21 215245349 DUZLYJVABXZXIG-MOPGFXCFSA-N 358.482 2.843 0 50 FFAA COc1ccccc1CCC(=O)N1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1529091981 TWVYACBBAXYTTC-APWZRJJASA-N 358.438 2.640 0 50 FFAA Cc1nc[nH]c1CN(CCO)C(=O)c1ccccc1OCc1ccccc1 1704335303 MVHUJVVMIRGTAG-UHFFFAOYSA-N 365.433 2.932 0 50 FFAA CC1=C(CN2C[C@H]3CN(Cc4noc(C)n4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772809090 LYADVRJLIARKOX-LAUBAEHRSA-N 374.529 2.631 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12303761 FSXWNFVBFWCCQJ-CQSZACIVSA-N 366.845 2.898 0 50 FFAA Cc1ccccc1OCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 12404481 JARHGHIABFXDGE-GOSISDBHSA-N 368.433 2.921 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)c(C)c1 4648726 ROCKQVSGLDJEJQ-UHFFFAOYSA-N 363.435 2.900 0 50 FFAA Cc1ccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)o1 4725529 HFHZDILZKDDXDL-UHFFFAOYSA-N 356.466 2.821 0 50 FFAA COc1cccc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)c1 4857733 NRGGVRCCGCLFAB-SFHVURJKSA-N 373.474 2.833 0 50 FFAA Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3ncccn3)CC2)c(C)c1C 6742502 MRJUQDQRDPTFMZ-UHFFFAOYSA-N 374.510 2.530 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857672308 QOWXRTFQHCNKTJ-UHFFFAOYSA-N 363.465 2.853 0 50 FFAA c1ccc(-c2nccn2[C@H]2COC3(CCNCC3)C2)c(Cn2cccn2)c1 1857695753 WOHSFDJRSSOVJM-GOSISDBHSA-N 363.465 2.879 0 50 FFAA CSc1ccccc1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857737370 JLGGGLIDRGERFE-GMBSWORKSA-N 360.479 2.606 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)CN2CCCc3ccc(Cl)c(C)c32)C1 127496248 QWXSUJOYEZDOLR-INIZCTEOSA-N 363.889 2.528 0 50 FFAA COc1cc2c(cc1CN1C[C@H](c3ccccc3)[C@@H](C(=O)O)C1)OCCO2 247913841 ANGOPSYWZWLFIO-SJORKVTESA-N 369.417 2.767 0 50 FFAA CCC(=O)N1CCC[C@H](C(=O)N(C)c2ccc(-c3ccccc3)nn2)C1 152875732 DVHDXVSGUGMWAF-INIZCTEOSA-N 352.438 2.755 0 50 FFAA [O-][n+]1ccnc(NCC2(c3cccc(Br)c3)CCOCC2)c1 1875286369 PSDHQEULIFSVSZ-UHFFFAOYSA-N 364.243 2.638 0 50 FFAA CCCCC(=O)N1CC[C@@H](NC(=O)c2cccc(OC)n2)C2(CCC2)C1 1875331761 BLRDSQQHAFJZAG-MRXNPFEDSA-N 359.470 2.781 0 50 FFAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@H](Cc1ccsc1)NC=O 1875321447 IRNPMMBBCOHKQO-LZQZEXGQSA-N 356.491 2.885 0 50 FFAA CN(C)S(=O)(=O)c1ccc(NC(=O)CCCCCCCC(=O)O)cc1 1875339480 LJLUPVOPQDJCBM-UHFFFAOYSA-N 370.471 2.691 0 50 FFAA COC(=O)Cc1ccc2cc(OC[C@@H]3C[N@]3Cc3cnn(C)c3)ccc2c1 1875385369 RQTKQRDXXVBXBG-CYFREDJKSA-N 365.433 2.552 0 50 FFAA O=C(N[C@H]1C[C@H]2C[C@@H](CO)C[C@@H]12)c1nc(-c2ccccc2)ncc1Cl 1875308745 UTAPKHJWERJEMB-MEWXFMAXSA-N 357.841 2.934 0 50 FFAA CO[C@]1(C(F)(F)F)C[C@H](C(=O)N2CCC[C@@H]2c2cn(C3CC3)nn2)C1 1875408377 USXADCQHKBFWJK-YVLXSGLVSA-N 358.364 2.634 0 50 FFAA C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C)[C@H]1COc2ccccc21 888101310 IMGVAZUCXDIQFQ-MDHDOXDCSA-N 358.360 2.912 0 50 FFAA O=C1COc2ccc(CN[C@@H](CC3CCCCC3)[C@H]3COCCO3)cc2N1 2325754558 RIRWEYGYNSPTRB-FXAWDEMLSA-N 374.481 2.862 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3ccnc(OCCO)c3)cc2)c1C 2325824619 JSNMLDPLWHVPGB-UHFFFAOYSA-N 352.394 2.508 0 50 FFAA CO[C@@H](C)c1nc(-c2cnc3[nH]cncc2-3)n([C@@H](C)C2CCOCC2)n1 2325880096 UUVOECVEWYGJFQ-RYUDHWBXSA-N 356.430 2.863 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)c(F)cc2O)C1 2325889431 QCIJXOPJWZRHRE-VIFPVBQESA-N 360.307 2.913 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1187160 SDMMJEHVPANIFS-HNNXBMFYSA-N 356.397 2.546 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N(C)C[C@H]3CCC(=O)N3)ncnc21 2356135914 YHLKEIZVSLGNLG-CQSZACIVSA-N 358.490 2.540 0 50 FFAA CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 8709880 CEJAJLATSYJPNA-GFCCVEGCSA-N 359.474 2.783 0 50 FFAA O=C(Nc1nncs1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225697420 VWTAIOFIHQZFMG-NEPJUHHUSA-N 356.373 2.787 0 50 FFAA COCc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 112418189 NDJVLLAZXVPVKV-MRXNPFEDSA-N 357.385 2.899 0 50 FFAA COc1ccc2cc(-c3n[nH]cc3CN3CCNC(=O)C3(C)C)ccc2c1 55343947 XREPTXSRSHDDDV-UHFFFAOYSA-N 364.449 2.949 0 50 FFAA COC(C)(C)CNc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 20999640 NMAPMTMVHYAWRS-INIZCTEOSA-N 371.485 2.667 0 50 FFAA CCn1nc(C(=O)O)c2c1CCN(C(=O)CSc1ccccc1C)C2 67946906 VRESMONCWBERFA-UHFFFAOYSA-N 359.451 2.587 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)CCN3CCCCCC3=O)C[C@H]2N(C)C)cc1 77425991 FCSYEGNUJOQRPH-VQTJNVASSA-N 371.525 2.644 0 50 FFAA C[C@@H](NC(=O)c1cc(CN(C)Cc2ccccc2)on1)C1CCN(C)CC1 67955949 SGBICHRIVPDRKK-MRXNPFEDSA-N 370.497 2.767 0 50 FFAA Cc1ccc(C(=O)Nc2cccc(NC(=O)C[C@@H]3CNCCO3)c2)cc1 63881564 LHQQIVJDZIMGEU-GOSISDBHSA-N 353.422 2.564 0 50 FFAA Cc1ccc2nc(CNC(=O)CC3(n4cccc4)CCOCC3)[nH]c2c1 409414686 UDVNUNFTNMFSHQ-UHFFFAOYSA-N 352.438 2.885 0 50 FFAA COCCN(C)c1ccc(CN[C@@H]2CCN(c3ccccc3OC)C2)cn1 252491860 LXPATZAQKJZNCV-GOSISDBHSA-N 370.497 2.541 0 50 FFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)c1ccc(Cl)cn1 328646097 SIZCVQGRTSVMJN-GFCCVEGCSA-N 350.875 2.752 0 50 FFAA CC(C)n1c(CNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 218364395 XQCSSNBMWOGANB-UHFFFAOYSA-N 361.409 2.523 0 50 FFAA O=C(CCc1ccoc1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328622315 IKLMZTCUHPREEF-KRWDZBQOSA-N 355.438 2.887 0 50 FFAA NC(=O)CC[C@H]1CCCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C1 77523358 MKEBVTDTZGMUTF-LLVKDONJSA-N 356.392 2.856 0 50 FFAA CCc1nnc([C@@H]2CN(C(=O)NCc3oc4ccccc4c3C)CCO2)o1 364037299 SPBOFFOCSVMCAJ-INIZCTEOSA-N 370.409 2.970 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 238195181 BUMKERHYGCCKQT-CQSZACIVSA-N 371.355 2.829 0 50 FFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccccc1N1CCOCC1 367902938 YFTOPCWWMIJSIT-QRWLVFNGSA-N 367.449 2.845 0 50 FFAA CCOC(=O)c1ccc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)nc1 77504608 MNRNMLOFNANYAS-FQEVSTJZSA-N 359.470 2.876 0 50 FFAA CCCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)Cc2ccccc2C)C1 330689803 FGEGUOHRWYGULU-IRXDYDNUSA-N 366.527 2.842 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4ccc(C)cc4Cl)ccc3n2n1 71375638 XOWVHRASXDAICH-UHFFFAOYSA-N 358.814 2.507 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1CCCN(C2Cc3ccccc3C2)CC1 72419243 UHYSOMIJLVVAHO-UHFFFAOYSA-N 350.466 2.602 0 50 FFAA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 220480210 YGZVEYWTNDCLQY-KRWDZBQOSA-N 356.451 2.915 0 50 FFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)cs2)n1 223537606 ISBKDIFOGLSWGU-KKZNHRDASA-N 372.372 2.563 0 50 FFAA CN1C(=O)CC[C@@H](NC2CC(c3cccc(F)c3)C2)[C@@H]1c1ccnn1C 284748972 FDQNNGAQVFMKRB-KIJVLWJYSA-N 356.445 2.757 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)n(C)n1 82115234 AAQTZKXCBARIRU-SFHVURJKSA-N 351.454 2.986 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N3CC(n4nc(C)cc4C)C3)cc2c1 426510368 PSFILQAQYPESMU-UHFFFAOYSA-N 353.426 2.756 0 50 FFAA O=C(NCCCC[C@@H]1CCCO1)N1CCN(c2ccc(Cl)cn2)CC1 426428070 OILKFOHHCHAZBH-MRXNPFEDSA-N 366.893 2.916 0 50 FFAA CCCNC(=O)c1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1Cl 426689268 OLIIUHFNKTZCFO-CQSZACIVSA-N 364.877 2.792 0 50 FFAA CC(C)N1C[C@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCC1=O 82156596 XYGPEVJJWLOZEO-GOSISDBHSA-N 368.474 2.627 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c2ccc(F)cc2n1 85532970 GKDNZKOVIDNEOT-CYBMUJFWSA-N 366.396 2.785 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCCN3CCC[C@H](CO)C3)c2)cc(C)n1 426383729 DBQNBCXFEHRNEV-SFHVURJKSA-N 367.493 2.800 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 82097087 FOHPSIDRCVMSOR-LJQANCHMSA-N 364.453 2.857 0 50 FFAA c1ccc(Cc2noc(CCN[C@H]3CCOC4(CCOCC4)C3)n2)cc1 82091560 GVRJDDSOQWCDSG-KRWDZBQOSA-N 357.454 2.521 0 50 FFAA CCn1nc(C)c(NC(=O)NCc2csc(-c3ncccn3)n2)c1C 97813718 PSKKHTKBTFWVAY-UHFFFAOYSA-N 357.443 2.755 0 50 FFAA COc1cc(C)sc1C(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91439805 ZUTXCWHMXVRDCU-SFHVURJKSA-N 350.484 2.928 0 50 FFAA O=C(NC1CCC1)c1ccc(S(=O)(=O)N2CCCCCCC2)cc1 91535321 DOVWDBALVUPJHG-UHFFFAOYSA-N 350.484 2.924 0 50 FFAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)C2 95357634 INKWFBGRLOOFGH-FOIQADDNSA-N 365.389 2.733 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91493650 UUMMCYYOWZDZJT-HXUWFJFHSA-N 364.489 2.628 0 50 FFAA CCc1cc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)cc(=O)[nH]1 97514339 MICMKBJRCCGMIE-JTQLQIEISA-N 370.375 2.527 0 50 FFAA CCn1c(C)cc2cc(NC(=O)NCCc3nc(COC)no3)ccc21 97272461 LJUPGBFTRMPESV-UHFFFAOYSA-N 357.414 2.863 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1ncccc1C(F)(F)F)CC2 91952165 PZMUPCLZIXCCDR-UHFFFAOYSA-N 371.403 2.956 0 50 FFAA O=C(CCN1CCC[C@H](c2cccc(C(=O)O)c2)C1)NCc1ccco1 95366197 YADLCZRGADMGTJ-KRWDZBQOSA-N 356.422 2.864 0 50 FFAA C[C@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2Br)CC1 237403697 KWUHMUPCGLHFHL-SNVBAGLBSA-N 355.232 2.573 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccccc1)C2 91427095 AAYSVHJQMUBWMA-PKOBYXMFSA-N 364.445 2.829 0 50 FFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cccc(C(F)(F)F)c1)CC2 95379380 GWGFWJZLYNVVJP-CQSZACIVSA-N 370.371 2.603 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3sccc3C)C2)CC1 96416648 KMSHCJCRAFEJFD-INIZCTEOSA-N 351.516 2.795 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2cscn2)C1)c1ccc2c(c1)OCO2 95522211 SYGLQRTVHHLYBD-ZDUSSCGKSA-N 359.451 2.514 0 50 FFAA COc1nc2c(cc1C(=O)N1CC(OCc3ccccc3F)C1)CCC2 92078318 FJADVKDOFBTOHS-UHFFFAOYSA-N 356.397 2.759 0 50 FFAA Cc1nc(NCC2(N3CCOCC3)CCCCCC2)cc([C@H]2C[C@H](N)C2)n1 244626860 FTYFSULXIPTDQS-IYARVYRRSA-N 373.545 2.827 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)c2c(C)nn(C)c2n1 244678563 IFVLTBRYEFZHIO-IIYDPXPESA-N 370.478 2.889 0 50 FFAA Cc1ccc(C)c(OCC(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1C 244633622 GGDIHAGEQQDVAS-UHFFFAOYSA-N 373.497 2.787 0 50 FFAA O=C(O)[C@@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 294232612 MLJULXOFODVNDM-LLVKDONJSA-N 366.215 2.796 0 50 FFAA Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CC[C@](C)(C(=O)O)C1 299745793 SKWVWGWNAVTHBW-SFHVURJKSA-N 363.364 2.704 0 50 FFAA COc1ccc(CNC(=O)C[C@@H]2CCOc3ccccc32)cc1C(=O)O 299750376 NHOPNVPRJXDQIX-AWEZNQCLSA-N 355.390 2.966 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 299746002 UQWHPWJNBARZFN-LBPRGKRZSA-N 353.300 2.580 0 50 FFAA COc1ccc(OC)c(NC(=O)N2CCN(c3ccncc3C)CC2)c1 299771805 VDPRZLQCSONLBE-UHFFFAOYSA-N 356.426 2.761 0 50 FFAA CCN(Cc1ccncc1)C(=O)c1ccc2nnc(-c3cccn3C)n2c1 1940194777 OROWLIRKAYAJDC-UHFFFAOYSA-N 360.421 2.792 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H](Cn1cccn1)c1ccccc1 827995188 FWCANLZDBOZPDX-HXUWFJFHSA-N 363.465 2.975 0 50 FFAA COCCN1CCC[C@@H](CNS(=O)(=O)c2cc3ccccc3s2)C1 670445294 NYUWZECXBAIUOQ-AWEZNQCLSA-N 368.524 2.538 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)cc1Cl 872672225 ISHSYIMWOZDONC-SECBINFHSA-N 368.282 2.784 0 50 FFAA O=C(Nc1ccccc1CN1CCCCC1)c1cccc(-n2cnnc2)n1 952861471 AXTXVBVIJZDIPA-UHFFFAOYSA-N 362.437 2.901 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565515910 GXTCWXIUZPZNDG-OALUTQOASA-N 372.490 2.739 0 50 FFAA CN(Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCc3[nH]ncc3C2)CC1 270158258 FHPWSTSEWFPHGS-IBGZPJMESA-N 366.509 2.885 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 275574484 GLDAGKCQABHVBJ-KRWDZBQOSA-N 370.522 2.984 0 50 FFAA CC(C)(C)OCc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)no1 187665603 SBPSDNNXWSEATA-UHFFFAOYSA-N 358.442 2.915 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(F)c1 219715465 DXDDZBVBQLOEAI-RTBURBONSA-N 359.397 2.938 0 50 FFAA Cc1cc(C)cc(N2CCC(N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)CC2)c1 1529102179 ZTEAZQBUUMCUAZ-XMSQKQJNSA-N 368.525 2.839 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(N2CCCCC2)CCCCC1 1529111293 VHONVHMKJHWUJQ-WOJBJXKFSA-N 371.525 2.944 0 50 FFAA COc1ccc2cc(S(=O)(=O)N3CC[C@@H](O)C[C@@H]3C3CC3)ccc2c1 1772819222 QQPDZPJHPKRAQX-VQIMIIECSA-N 361.463 2.772 0 50 FFAA O=C(Nc1cccc(Cl)c1Cl)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772702142 BSHDKRDZGAMPJC-PSLIRLAXSA-N 359.209 2.948 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCOC 11879670 YNFPGBZRFDIGQG-SFHVURJKSA-N 350.478 2.965 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2)CC1 12702903 NSBDZRWPQOYDKV-GOSISDBHSA-N 361.486 2.513 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)N2CCCc3cc(C)ccc32)ccc1OC 16648352 JVPDMYQWZDVTGQ-UHFFFAOYSA-N 374.462 2.505 0 50 FFAA CC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16651564 WXROFIYAJQRFCT-MRXNPFEDSA-N 350.484 2.876 0 50 FFAA CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 1063380 HCBKHCMHYFBTJZ-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA COc1cccc(SCC(=O)NC2CCN(Cc3ccncc3)CC2)c1 193599337 PAZJIOPPMOTIKP-UHFFFAOYSA-N 371.506 2.963 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1F 789051 ZBYZMGSWCCIRCY-UHFFFAOYSA-N 352.406 2.784 0 50 FFAA COC(=O)c1cc(NC(=O)c2cccc(C)c2)ccc1N1CCOCC1 4749008 FFJMOJTZDFUEKK-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 2220092 ADGONHGXNGRTFL-UHFFFAOYSA-N 355.463 2.958 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1 2378105 VCURJDDDAQLQLU-UHFFFAOYSA-N 355.394 2.901 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(c1nc(-c3ccccc3)nc3c1CCC3)C2 1857669499 BSZMKQYANVIMGR-YCRPNKLZSA-N 365.433 2.560 0 50 FFAA COC(=O)[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)C1 1857696419 ZKRMFZUQDAQHQC-JKSUJKDBSA-N 367.449 2.593 0 50 FFAA Cc1n[nH]c(C)c1-n1ccnc1-c1ccc(OCCN2CCOCC2)cc1 1857703980 YJKWWKJFXQUYKC-UHFFFAOYSA-N 367.453 2.590 0 50 FFAA CCOCCn1nc(Cc2ccccc2OC)nc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857718282 RPMWXQMQFVHBCB-LZLYRXPVSA-N 357.454 2.949 0 50 FFAA CC(C)(C)[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H](c2ccccc2)O1 1857721518 TTWYXGKCBUDFNL-ZWKOTPCHSA-N 354.450 2.863 0 50 FFAA N=c1[nH]c2cc(C(=O)NCc3csc(-c4cnccn4)n3)ccc2s1 1857732843 JUEWWAVGDDCMMC-UHFFFAOYSA-N 368.447 2.552 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)[C@@H](N)c1ccc(C)cc1)CC2 372977844 GGYWWCWBCLYPFW-FQEVSTJZSA-N 354.450 2.639 0 50 FFAA O=C(OC[C@H]1CCCCN1C(=O)c1ncncc1Cl)N1CCCCC1 376473213 GVWUXTRSWCFGRZ-CYBMUJFWSA-N 366.849 2.747 0 50 FFAA Cc1nc2scc(C3CC3)n2c1CN[C@H](CC1CCOCC1)C(=O)O 901773422 OLZWVWOFSKSVFW-CQSZACIVSA-N 363.483 2.941 0 50 FFAA Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 1875255952 NYWQMUIRWRAODN-SDDDUWNISA-N 367.367 2.727 0 50 FFAA Cc1c([C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC(=O)N2C)cnn1C 1875274169 PLGNLDGHHNSRIE-VIPLHTEESA-N 372.513 2.581 0 50 FFAA C[C@@H](COc1ccccc1)n1nc(-c2nc[nH]n2)nc1C1CCOCC1 1875331013 LIRGCBZHQOCSOZ-ZDUSSCGKSA-N 354.414 2.597 0 50 FFAA C/C(=C\C(=O)N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1)c1ccccc1C 886035910 QEOTWRQMMKEBMS-NQBXTXRSSA-N 356.466 2.527 0 50 FFAA O=C1CC[C@H](Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)CCN1 888102609 NZWMOAZQYXCJQA-NSHDSACASA-N 354.328 2.816 0 50 FFAA Cc1c(C(=O)NC2(C(=O)O)CC3(CC(F)(F)C3)C2)[nH]c2c1CCCC2 2325784570 VPYXHXFKERAURY-UHFFFAOYSA-N 352.381 2.964 0 50 FFAA CCc1nc2c(-c3nc(CCn4ccnc4)nn3CC(C)C)ccnc2[nH]1 2325875615 XVKFCHMHBOOBCD-UHFFFAOYSA-N 364.457 2.874 0 50 FFAA O=C(CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1)NCC(F)(F)F 116781293 PRIZRSOSCWGTKV-CYBMUJFWSA-N 368.359 2.942 0 50 FFAA CCc1nn(C)c(NC(=O)Cn2cc(-c3cc(C)nc(C)c3)cn2)c1C 23430891 QJYLGZQOYUAMRB-UHFFFAOYSA-N 352.442 2.805 0 50 FFAA CCOc1ccc(CN2CCN(Cc3ccncc3)C[C@@H]2CCO)cc1 23375422 UDCIZAJMMAOLSG-FQEVSTJZSA-N 355.482 2.549 0 50 FFAA CNC(=O)CN1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67786208 KESLZFDVXBZBBB-UHFFFAOYSA-N 360.461 2.694 0 50 FFAA COc1ccccc1[C@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 122632532 SFPDWZJQQDQFCE-KRWDZBQOSA-N 367.449 2.624 0 50 FFAA CN(C)c1ncccc1O[C@H]1CCN(c2nnc(C(F)(F)F)s2)C1 328679433 BPIXOYDAKBBRKQ-VIFPVBQESA-N 359.377 2.676 0 50 FFAA Cn1ccnc1-c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1 67774627 LUKDPLLTTHXTHY-VMPITWQZSA-N 360.465 2.713 0 50 FFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC 5031194 NWPUEJFBJMCTBN-GOSISDBHSA-N 370.361 2.564 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 215479501 NRSXEZFFHQMPPL-QGZVFWFLSA-N 352.818 2.518 0 50 FFAA Cn1nccc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333538298 RMELONRLPHPNCR-KSSFIOAISA-N 355.442 2.736 0 50 FFAA CC(C)C[C@H](Nc1nc(N(C)C)nc2c1CCNCC2)c1cccnc1 72477648 ZQJDJPHISPQNKT-SFHVURJKSA-N 354.502 2.825 0 50 FFAA CCc1ccc(CNC(=O)NCc2cccc(OCC(=O)N(C)C)c2)cc1 241587983 OYSWXJRKACFAPJ-UHFFFAOYSA-N 369.465 2.715 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCCn2cncc2C1 72145789 HAMDTDPPYWGOAJ-UHFFFAOYSA-N 359.451 2.569 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)CCc3ccco3)CC2)n1 72429351 PVFJBPKEBMXHTL-UHFFFAOYSA-N 359.426 2.635 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2ccc3cc[nH]c3c2)C1 285626264 DRPTXKYJBAFAFA-ZBFHGGJFSA-N 351.410 2.766 0 50 FFAA CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CC2(O)CCCC2)CC1 371062479 JROMHMLRXWODGQ-GOSISDBHSA-N 350.503 2.711 0 50 FFAA Cc1ccc(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c2cccnc12 216443085 VDDBDHQENMPDOC-UHFFFAOYSA-N 366.509 2.849 0 50 FFAA CCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C)C(C)C 72154118 WUYMKSXBNFTTRF-IBGZPJMESA-N 359.514 2.723 0 50 FFAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2nc(S)oc2c1 157438703 ZNWKKRSHXMEFKM-ZBEGNZNMSA-N 350.465 2.901 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 219338996 YPLUXXITFBCFOF-AEJJIKPWSA-N 364.449 2.746 0 50 FFAA Oc1c([C@@H](c2ccc(F)c(Cl)c2)N2CCOCC2)sc2ncnn12 218513152 FMYHXYWCWHSJFX-GFCCVEGCSA-N 368.821 2.711 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1nnc2n1CCCC2 176417696 GVDLSKOFINKRCX-HNNXBMFYSA-N 368.437 2.639 0 50 FFAA CN(C[C@@H]1CCOC1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 177223880 HVEDEDGFXCJYOY-ZDUSSCGKSA-N 356.451 2.655 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)Cc3ccc4c(c3)OCO4)CC2=O)cc1 82087935 HGNHIPGHLSMBPV-HNNXBMFYSA-N 366.417 2.530 0 50 FFAA CC(C)N1CCC[C@@H](CNC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)C1 426512360 WSIROEQJUPOQSL-SFHVURJKSA-N 358.530 2.894 0 50 FFAA OC1(c2cn(C[C@@H]3CCCN(C4Cc5ccccc5C4)C3)nn2)CCCC1 19110716 JDISEOVXRVDQGY-QGZVFWFLSA-N 366.509 2.919 0 50 FFAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)Nc3cccc4ccccc34)n2)n1 40267719 SXYXQYDIDZKXGY-UHFFFAOYSA-N 373.416 2.838 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)NCc3ccccc3F)cc2C1 82116263 ZXJADSZBVORGRH-UHFFFAOYSA-N 373.476 2.883 0 50 FFAA CC(C)(C)OC(=O)N1CCc2ncc(I)cc2C1 139839049 NTMYFJUEICGLAI-UHFFFAOYSA-N 360.195 2.979 0 50 FFAA Cc1[nH]c2ccc(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)cc2c1C 220387743 DIGVGHAKROEPFM-GSQSYGFSSA-N 352.438 2.760 0 50 FFAA Cc1nn(CCO)cc1CN1CCC(c2[nH]ncc2-c2ccccc2)CC1 82106762 DIEYJAIBVJNLEB-UHFFFAOYSA-N 365.481 2.954 0 50 FFAA COc1ccc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)O)C2)cc1 95380415 SHKDJSTUNHPRFW-WIYYLYMNSA-N 369.417 2.767 0 50 FFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3csc(C)n3)[nH]c2C1 95391522 RRETWXNMEAUNLR-NSHDSACASA-N 354.435 2.920 0 50 FFAA Cc1nc2cc(CNC(=O)[C@@H](c3cccc(F)c3)N(C)C)ccc2n1C 95360013 LSEUHWLYGRDENK-LJQANCHMSA-N 354.429 2.940 0 50 FFAA CN1CCC(Cc2nc(CCCn3cccn3)n(CC(F)(F)F)n2)CC1 96165707 PSZLNSWJAOLVAS-UHFFFAOYSA-N 370.423 2.554 0 50 FFAA NC(=O)CCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95356723 DASHXTNCEXNEJF-GOSISDBHSA-N 369.509 2.513 0 50 FFAA O=C(C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1)c1ccco1 91726032 RXYJQEGSECXYNA-FQEVSTJZSA-N 358.438 2.636 0 50 FFAA O=C1CC2(CCN([C@H]3CCCNC3)CC2)CN1Cc1ccc(F)c(F)c1 91593703 GFKICQLFGHACMG-INIZCTEOSA-N 363.452 2.531 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3C[C@H](CO)[C@H](CN(C)C)C3)cc2)c1 91643439 CIQOIMHXTOFJQE-WOJBJXKFSA-N 368.477 2.604 0 50 FFAA COc1ccc(CCN2C[C@@H](c3nc(CSC)no3)CCC2=O)cc1 91444483 CAYBSOZZAPJEHK-AWEZNQCLSA-N 361.467 2.890 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccc3c(c1)OCCCO3)C2 91973718 JXVDXXLKEYSDKY-INIZCTEOSA-N 369.417 2.724 0 50 FFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cc(=O)[nH]c2ccccc12 92107307 PRRMPVVOVQBKGE-IBGZPJMESA-N 358.401 2.896 0 50 FFAA COc1ccc2c(c1)[C@H](c1nc(C3CCCC3)nn1CC(=O)O)CC(=O)N2 97099366 WQSDKXKDRIGYRG-CQSZACIVSA-N 370.409 2.503 0 50 FFAA COCc1c(C(=O)N(C)C[C@H](C)c2nnn[nH]2)sc2cccc(F)c12 183433663 VDVVWKNKSVWUCW-VIFPVBQESA-N 363.418 2.576 0 50 FFAA COCc1nnc(NC(=O)COc2cccc3c2ccn3CCC(C)C)[nH]1 252489642 JVHGSASBJCPIIT-UHFFFAOYSA-N 371.441 2.969 0 50 FFAA O=C(NC1CCCC1)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615658 DNNJRTQDXHPLBV-UHFFFAOYSA-N 367.497 2.883 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc32)cc1OC 268942232 LQAZKYSMDPYLAM-HUUCEWRRSA-N 371.389 2.512 0 50 FFAA CCOC(=O)c1sc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)nc1C 534580312 RSZMUCQEWYCVQP-AWEZNQCLSA-N 360.435 2.814 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@H](C)C1CCN(C)CC1)CC3 534640138 FPWBDTSMOTYFRB-CQSZACIVSA-N 370.497 2.975 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cccc4c3COC4)[C@H](C)C2=O)c1 1940197599 BJAGJXMKCHUMBY-CQSZACIVSA-N 366.417 2.603 0 50 FFAA NC(=O)c1cc(N2CCN(c3ccc(Cl)cn3)CC2)nc2ccccc12 66372621 KJKUBXNHJPQUGX-UHFFFAOYSA-N 367.840 2.709 0 50 FFAA O=C(O)C1(C(=O)OCC2c3ccccc3-c3ccccc32)CCNCC1 95913199 NXZFVFKTZHDIJC-UHFFFAOYSA-N 351.402 2.797 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CC[C@]4(OC)CC[C@H](O)C[C@H]34)c(C)c2c1 299779238 QKPXJIBYMIDRIZ-QKMWGZLOSA-N 358.438 2.629 0 50 FFAA CCC[C@@H](C)n1nccc1NC(=O)NC1CCN(c2cnccn2)CC1 299771588 REERYLOZPPUOIP-CQSZACIVSA-N 357.462 2.825 0 50 FFAA CCN1CC[C@H](NC(=O)N2CCC(COc3ccc(OC)cc3)CC2)C1 584889639 FGFFCOVLMVCIHH-KRWDZBQOSA-N 361.486 2.590 0 50 FFAA Cc1nc(O)c(Cl)c(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)n1 584886980 IUWOUZMIWNPNOO-AWEZNQCLSA-N 360.845 2.587 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3cccc(F)c3C)C2)o1 952889601 BZNVFVFUSDTZJS-OLZOCXBDSA-N 353.419 2.515 0 50 FFAA CCn1nc(C(=O)N(CCO)Cc2ccccc2)c2c1[C@H](C)O[C@H](C)C2 1875301308 JYQQBUFHHFSSFN-CABCVRRESA-N 357.454 2.560 0 50 FFAA CC[C@H](C(=O)NCC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2 1875314071 GDWYEIXGYQNHCF-OXFRDRNISA-N 373.375 2.577 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc(O)cc2CCOC)cc1 1875373452 BHQSZKCDKDIZFY-UHFFFAOYSA-N 354.406 2.982 0 50 FFAA CCOc1ccc(CC(=O)N2CCC[C@@]23CCC[S@@](=O)(=NC)C3)cc1 1875395813 MTCJPSYYSDETGE-DFBJGRDBSA-N 364.511 2.881 0 50 FFAA CO[C@H](C(=O)NC[C@@H](N)c1ccc(F)cc1F)c1cc(F)cc(F)c1 1875344702 JILYGAFHJZQYHM-CVEARBPZSA-N 356.319 2.747 0 50 FFAA Cc1nc2c(N[C@H]3CN(C(=O)[C@H]4C[C@@H]4C)CC34CCC4)ncnc2s1 1875407875 JSDRVMNGVANVRF-DRZSPHRISA-N 357.483 2.844 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc(Cl)cc1O 1565530046 XHVHPIGERYDJLZ-ZFWWWQNUSA-N 368.842 2.606 0 50 FFAA Cc1cccc2nc(CN(C)S(=O)(=O)N(C)Cc3ccccc3)[nH]c12 952965926 DFFUDDUAEILVLZ-UHFFFAOYSA-N 358.467 2.680 0 50 FFAA O=C(CCc1nc2cccnc2[nH]1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 1337288741 IDKZPNBPDFVLOJ-CQSZACIVSA-N 369.856 2.939 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2csc(-c3cnccn3)n2)CC1 170840384 XZPDIYOHLNGEIU-UHFFFAOYSA-N 365.462 2.871 0 50 FFAA COCc1noc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 280228056 AVYITSZBMQSVSH-GWCFXTLKSA-N 357.332 2.543 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 195302279 KVCSJNAUZKFEQY-UHFFFAOYSA-N 364.492 2.849 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 1506397655 WJDFMOYKZACUCQ-HXUWFJFHSA-N 369.440 2.899 0 50 FFAA O=C(c1cccnc1N1CCC(OCc2cccnc2)CC1)N1CCCC1 1529197381 PLTAIUQVRZYBPF-UHFFFAOYSA-N 366.465 2.898 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)c1nccc(N2CC[C@H](O)C2)n1 1529153751 UZPAOZCTAWGZGF-AWEZNQCLSA-N 352.360 2.703 0 50 FFAA O=C(CCC(=O)N1CCC(Cc2ccc(O)nc2)CC1)N1CCCCCC1 1772816698 SLXJXTCZHOMKFZ-UHFFFAOYSA-N 373.497 2.751 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772804618 BQTZILJKDWNIFJ-AWEZNQCLSA-N 367.478 2.668 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(C)=O 5126734 XWKWVENJCBYJTM-UHFFFAOYSA-N 356.350 2.733 0 50 FFAA C[C@H]1CN(C(=O)[C@@H]2CC23CCN(C(=O)c2ccc(F)cc2)CC3)C[C@@H](C)O1 11882491 ZSMSDSSMSCKSJY-DAYGRLMNSA-N 374.456 2.704 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1 12003700 JEUPHSYQXOLNCR-ZDUSSCGKSA-N 358.419 2.560 0 50 FFAA Cc1cc2nc(CN(C)C(=O)[C@@H]3CCC(=O)N(C4CC4)C3)[nH]c2cc1C 12053501 XWDBTJPJLZLROC-CQSZACIVSA-N 354.454 2.539 0 50 FFAA CCCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 12054455 KSERGAXXPJPJGR-FQEVSTJZSA-N 362.445 2.976 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 12138688 LPDAAAWNDUFZQS-INIZCTEOSA-N 368.433 2.873 0 50 FFAA O=C(CCc1nnc(CCCc2ccccc2)o1)NCc1ccncc1 19144398 AUGLBOVNQFVIRY-UHFFFAOYSA-N 350.422 2.889 0 50 FFAA OCC1CCN([C@@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1 19731070 CXCMHFIWZIRZHS-QGZVFWFLSA-N 354.441 2.957 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)cc2)cc1 845610 KGBKJXHEOWWTSA-QGZVFWFLSA-N 353.378 2.667 0 50 FFAA COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccccc3)n2)cc1 6645357 FZIVASZOSCRRPS-UHFFFAOYSA-N 354.435 2.889 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)CCCc1ccccn1 1857532570 OPBCUQXBMPSQHR-AEFFLSMTSA-N 369.469 2.721 0 50 FFAA COc1ccnc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1 12207768 IQMQUUDFFDOSDV-SFHVURJKSA-N 353.470 2.619 0 50 FFAA CN(C(=O)CN1CCOc2ccc(Cl)cc21)[C@@H]1CCCc2c1cnn2C 155151246 HDZXRUMSWJLUSX-OAHLLOKOSA-N 374.872 2.808 0 50 FFAA COCCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704337372 VMPSREXQDRFIGW-OAQYLSRUSA-N 351.450 2.987 0 50 FFAA CCOC(=O)Cn1nc(C)c(NC(=O)CCc2ccc(OC)cc2)c1C 1426686 DVHWRKQVDKYSEX-UHFFFAOYSA-N 359.426 2.643 0 50 FFAA O=C1C[C@@H](C(=O)NCC2CCN(CC3CCC3)CC2)c2ccccc2N1 2325867865 HXPPQKIIJCEUIF-GOSISDBHSA-N 355.482 2.741 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)c(F)cc2O)CC1 2325887872 LMCDQAXQSPHNDG-UHFFFAOYSA-N 360.307 2.913 0 50 FFAA O=C1C[C@H](C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)c2ccccc2N1 23339037 YWBQXEKWPPWJDT-ZDUSSCGKSA-N 362.389 2.680 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cc(C)cc(C)c2)c1 945333 ZOIITZOITOHODG-UHFFFAOYSA-N 371.389 2.894 0 50 FFAA CN(CCO)C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 2356148256 OAWAUFBNFDAZSY-WBVHZDCISA-N 357.454 2.554 0 50 FFAA c1ccc(CCN2CCC(N3CCc4nc(C5CC5)nn4CC3)CC2)cc1 2356162852 MNKXATINZCKEBB-UHFFFAOYSA-N 365.525 2.721 0 50 FFAA CCOc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1Cl 4487370 IPRGVNKIUSCWHO-UHFFFAOYSA-N 361.829 2.684 0 50 FFAA NC(=O)COc1ccccc1CN(Cc1ccsc1)C[C@@H]1CCCO1 55108080 JUGKSLAPNNMKKB-KRWDZBQOSA-N 360.479 2.793 0 50 FFAA CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O 55109260 LBHVEEMLTMCBPU-KRWDZBQOSA-N 362.499 2.675 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO 104443970 NUDLPRNCSSPQRJ-OAQYLSRUSA-N 356.514 2.787 0 50 FFAA CC(C)Cc1nc(CN(C)CCC(=O)N2CCc3ccccc3C2)no1 65430914 CYAWZWRACQSHPW-UHFFFAOYSA-N 356.470 2.675 0 50 FFAA Cn1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)n1 328608512 ZFDHLUWMAFITSX-MRXNPFEDSA-N 369.400 2.906 0 50 FFAA C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@@H](N2CCNC2=O)C1 229674304 UMLGNFHXLJJXOA-DOTOQJQBSA-N 366.465 2.656 0 50 FFAA CCOc1ccccc1N(C)C(=O)CCN1C(=O)COc2ccccc21 121394211 DKICMDCHODONOW-UHFFFAOYSA-N 354.406 2.864 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)CC1 328605651 OKYUXLHREVDYGM-OAHLLOKOSA-N 372.387 2.993 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N(C)Cc2cc(C)on2)n1C 328621567 HVEYXGMNARZJCE-QGZVFWFLSA-N 358.442 2.667 0 50 FFAA CC[C@@H]1c2ccsc2CCN1C(=O)CN1C(=O)CC2(CCCC2)C1=O 329255910 CRQGEXMKJGBZNM-CQSZACIVSA-N 360.479 2.903 0 50 FFAA CN1C(=O)COc2cc3c(cc21)NC(=O)C[C@@H]3c1ccnn1-c1ccccc1 65421474 KCANCRGTMKSZTF-HNNXBMFYSA-N 374.400 2.702 0 50 FFAA CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 125896352 WTXZLOGZSKCQIC-GOSISDBHSA-N 357.475 2.936 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cnnn1-c1ccccc1 65459542 JHEFMUVDYRTGAC-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2ccccc2)cc1 824416 BVCRFQGELGVFBV-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA O=S(=O)(N[C@H]1CCCC[C@H]1n1cccn1)c1cnc2ccsc2c1 333032191 HTYMUVHMCOFLPK-DZGCQCFKSA-N 362.480 2.955 0 50 FFAA COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 2783180 ZIWIIJGPQKVOHW-SNVBAGLBSA-N 366.483 2.890 0 50 FFAA CC(C)n1cc([C@@H]2CN(Cc3nc4ccccc4n3C)C[C@H]2CO)cn1 284515068 FJGXGTAXXQJDRK-IRXDYDNUSA-N 353.470 2.559 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)n2)cc1 237511211 WNTLMYWCWWZJAI-AWEZNQCLSA-N 357.410 2.598 0 50 FFAA CC[C@@H]1CN(C(=O)c2cccc(N)c2)CCC(=O)N1Cc1ccccc1 71749192 IXXMKQALYUPEQZ-LJQANCHMSA-N 351.450 2.922 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72142186 ZKDJHIWNPPUZAT-FNFFVJSTSA-N 366.464 2.509 0 50 FFAA CCc1ccc(Cn2nnc(C(=O)NC[C@H](O)c3ccsc3)c2C)cc1 252492581 MPQUJDIXHOSSBS-KRWDZBQOSA-N 370.478 2.722 0 50 FFAA Cc1cc(F)ccc1-c1ccc(CNC[C@](C)(O)CN2CCOCC2)o1 174486592 QDJXYIIWMYOYRV-FQEVSTJZSA-N 362.445 2.567 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(c3nccc4ccccc34)C2)n1C 72427036 WWTIPVSBZPFMBA-INIZCTEOSA-N 350.470 2.809 0 50 FFAA O=C(O)Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77517943 UDZHDRDJGFFZSA-OAQYLSRUSA-N 356.466 2.681 0 50 FFAA Cc1nc(CCC(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)n[nH]1 72447884 YMXCGOXDVWTVBY-HNNXBMFYSA-N 356.405 2.815 0 50 FFAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 263205105 ZAWKBQIDLVBQEO-KBUPBQIOSA-N 371.355 2.900 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@H](OCC(C)C)C2)C1 158804446 PCJFKDNTDQHOTC-IRXDYDNUSA-N 361.486 2.730 0 50 FFAA COc1ccc(OC)c(-c2nc(CN(C)Cc3noc(C)n3)c(C)o2)c1 71499146 OQLIQZNVZXHMIY-UHFFFAOYSA-N 358.398 2.991 0 50 FFAA CC1CCN(Cc2ccc(C(=O)N3CCO[C@H](C(F)(F)F)C3)o2)CC1 71767953 OKJGUXPHWNODNX-HNNXBMFYSA-N 360.376 2.915 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@@](O)(C(F)(F)F)CC1 287895708 OWZNQAAPPSJNST-HNNXBMFYSA-N 373.331 2.568 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(Cl)c1 77524697 OBJMOTOETIAFAY-HNNXBMFYSA-N 364.873 2.982 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)N1CCN(C)CC1 82097584 VRSYPXVIVYPTHD-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)NCc2cc(-c3ccccn3)no2)n1 426369246 OKXTZFVDWMZLPB-MRXNPFEDSA-N 368.397 2.865 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1cccn1C1CC1 222820899 OAZUVJMVWBKNJQ-AEFFLSMTSA-N 359.426 2.532 0 50 FFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)COc1ccccc1O 82092127 WFJQLJNYQZSGME-CYBMUJFWSA-N 374.824 2.688 0 50 FFAA Nc1nnc(CCCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)s1 223947109 GRKKJSHEACMMBA-ZDUSSCGKSA-N 355.467 2.771 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3ccccc3CO)c2)CC1 426556019 PIXHTVHXXVNCKV-UHFFFAOYSA-N 368.433 2.760 0 50 FFAA COCC(=O)N1CCCN(C(=O)C[C@H](c2ccccc2)c2ccco2)CC1 222923856 ZUXOYDCGSMZOES-GOSISDBHSA-N 370.449 2.509 0 50 FFAA Cc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)c1 92066746 SIWNAMBAGOCBMX-DOTOQJQBSA-N 365.437 2.554 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 426727288 AOVRKGPWPNDYEJ-UHFFFAOYSA-N 350.426 2.605 0 50 FFAA O=C(NC1Cc2ccccc2C1)N1CCC(OCc2cccnc2)CC1 426548447 FUJODVASXYXHRH-UHFFFAOYSA-N 351.450 2.940 0 50 FFAA O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)nc1 97745001 XLTSCFLOHPIKRZ-QGZVFWFLSA-N 363.421 2.699 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)ccc1C)CC2 91444475 MCHISORYVMNMCL-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA CN1CCC[C@@H](CN2CCN(Cc3cc(O)c4cc(F)ccc4n3)CC2)C1 91997740 QJJOZMDONPEOGA-MRXNPFEDSA-N 372.488 2.539 0 50 FFAA O=c1oc2ccccc2n1Cc1cn(Cc2cc(-c3ccco3)on2)nn1 91907196 RAEBIBMELFGWFK-UHFFFAOYSA-N 363.333 2.531 0 50 FFAA COCCN1CCN(C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1 96166329 NCQCXTVRYWKPQG-NRFANRHFSA-N 368.477 2.509 0 50 FFAA CCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 91326458 ZJXDCDSARVKLMF-OAHLLOKOSA-N 355.410 2.857 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2nn(C)c3c2CCCC3)C1 97694623 MBFVIPCJDHTLCG-QGZVFWFLSA-N 366.509 2.827 0 50 FFAA O=c1ccc2ccc(OCCN3CCN(c4ccccc4)CC3)cc2o1 95918267 APDYKTBERPQZLE-UHFFFAOYSA-N 350.418 2.994 0 50 FFAA CCCc1ccc(CN2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)o1 91380780 PBDPTROQPASQQO-MRXNPFEDSA-N 368.485 2.985 0 50 FFAA CN1C(=O)Cc2cc(NC(=O)N[C@@H]3CCN(c4ccccc4F)C3)ccc21 296955767 CMHFTSAMCPZQQM-OAHLLOKOSA-N 368.412 2.745 0 50 FFAA Cc1ccc(SCCCN(C)Cc2nc(O)c3cnn(C)c3n2)cc1 253536324 MXPKIYNEKZHBNH-UHFFFAOYSA-N 357.483 2.992 0 50 FFAA COCCN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)C1CCN(C)CC1 252505453 VRPJLWLPGQTWAU-NRFANRHFSA-N 373.541 2.610 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)Nc1ccnn1CC1CCCCC1 299797465 NBBZJFABAYDAGR-UHFFFAOYSA-N 370.519 2.656 0 50 FFAA Cc1cnc(-c2cccc(C(=O)N3CCCC[C@H]3CO)c2)nc1N(C)C 299793190 JYPGAJXBPPFDBI-KRWDZBQOSA-N 354.454 2.505 0 50 FFAA Cn1ncc(Cl)c1C(=O)NC[C@H](c1ccccc1F)N1CCCC1 299766571 FRIZXYJMVGBYQB-OAHLLOKOSA-N 350.825 2.780 0 50 FFAA C[C@H](CN1CCCCC1)c1nc(CC(N)=O)nn1-c1ccccc1Cl 826842440 RTXOIQZUCFRTNK-CYBMUJFWSA-N 361.877 2.538 0 50 FFAA CC(C)n1ncnc1-c1ccc(C(=O)NC[C@H](O)c2ccc(O)cc2)cc1 584895330 CTPABAYIQAFJMR-SFHVURJKSA-N 366.421 2.695 0 50 FFAA CN(C)CC[C@@H](NC(=O)NC1(C(N)=O)CCCCCC1)c1ccccc1 584896555 FQEKALJRZJTECY-QGZVFWFLSA-N 360.502 2.557 0 50 FFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CCN(CC(F)(F)F)C2)[nH]1 1875255368 MIFCNLBHPHZPCL-ZDUSSCGKSA-N 351.376 2.565 0 50 FFAA CC(C)(C)c1nc(CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)no1 1875263269 MCZFVTCQXCJSHY-UHFFFAOYSA-N 350.426 2.742 0 50 FFAA C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1 1875350102 APSCTVRQDRRPSW-CYBMUJFWSA-N 363.421 2.510 0 50 FFAA CCNC(=O)[C@H](CC)NC(=O)CN(Cc1ccccc1)c1ccccc1 1875345154 TXMJVRZYGUHOJQ-IBGZPJMESA-N 353.466 2.724 0 50 FFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cccc(Oc2ccccn2)c1 1875400224 UMVRBJMSGUEFDK-MISYRCLQSA-N 364.449 3.000 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cncc2c(Cl)cccc12 1875400787 MHSBPQGLIATGLK-JBBXEZCESA-N 370.840 2.654 0 50 FFAA N[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@H](O)c2ccc(C3CC3)cc2)C1 1875405929 RUWYHJPRUKEUEM-CTNGQTDRSA-N 354.425 2.823 0 50 FFAA Cc1cccc(OCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1 1565527745 OAQTYSGGFNCELN-UXHICEINSA-N 365.477 2.892 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c(F)c1 1565507787 HDLJKGFOLIOAIT-CVEARBPZSA-N 367.424 2.906 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2[nH]1 952977908 OTACCGVDSJWOKW-LBPRGKRZSA-N 364.405 2.995 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)CN2CCC[C@@H](C)C2)c1 952869608 WPBQFFTUEJZXFD-GFCCVEGCSA-N 353.850 2.595 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3ccc4c(c3)CCO4)C2)ccn1 886056945 XSSMOFAGXOHPMG-FQEVSTJZSA-N 353.466 2.731 0 50 FFAA CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCC(O)(C3CC3)CC2)cc1 888101944 RPMYZVZABYDRBO-UHFFFAOYSA-N 373.497 2.866 0 50 FFAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CC2(CO)CC2)cs1 186762522 JPNUNOVEKMWFDG-UHFFFAOYSA-N 371.506 2.712 0 50 FFAA COCCn1ccc(C(=O)Nc2nc(-c3sc(C)nc3C)cs2)n1 187251189 SWBISSFLZQVMDV-UHFFFAOYSA-N 363.468 2.979 0 50 FFAA CN(CCOc1ccccc1)C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O 170597906 YLHBLVVERPEUPS-UHFFFAOYSA-N 366.417 2.599 0 50 FFAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCCCc2ccccc21 170633396 MTWYCSXTQVTKDS-CKEIUWERSA-N 350.484 2.671 0 50 FFAA Cc1nnc(SCC(=O)N(C)CCc2nc3ccc(Cl)cc3[nH]2)o1 1506399635 PDIMNHRLGCZICQ-UHFFFAOYSA-N 365.846 2.701 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)c1nccc(N2CCC[C@@H](O)C2)n1 1704298481 GFVHLXGHEZVXKN-CQSZACIVSA-N 370.482 2.526 0 50 FFAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCCCC12CC2 1772804526 QJKCAXPXTNRYBQ-AWEZNQCLSA-N 361.511 2.630 0 50 FFAA CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C[C@@H](O)CO 11818768 CQNAUHNFQNSZEM-HXUWFJFHSA-N 357.498 2.920 0 50 FFAA CN(C(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1)C1CCCCC1 11842975 DHSVPEIRRVPMCL-HXUWFJFHSA-N 371.525 2.601 0 50 FFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCc1cn[nH]c1 12441281 BPTQJYJDMPTCCK-UHFFFAOYSA-N 372.488 2.895 0 50 FFAA Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1 169758254 WKFLPBCOGOVYNJ-OAHLLOKOSA-N 364.340 2.801 0 50 FFAA CC(C)C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1)C(=O)O 5092887 RZEPHDIOWHZEQV-ASNKMWSDSA-N 370.405 2.666 0 50 FFAA COc1ccc2c(CC(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)coc2c1 154227331 UFMXORDYNUOISM-HNNXBMFYSA-N 368.437 2.503 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(F)c2)c1 2348031 RPOPBUPBSWMTDW-UHFFFAOYSA-N 371.412 2.616 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3ccc(-n4ccnc4)cc3)C2)N1CC1CC1 221964517 BSXJUFLFPIYUOD-QUCCMNQESA-N 350.466 2.705 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)o1)[C@H]1CCN(c2ccccc2Cl)C1=O 237033292 ODXHDAPMVXWBTI-LBPRGKRZSA-N 362.769 2.509 0 50 FFAA O=C(NCc1ccc(F)c(F)c1)N1CCN(c2ccc(F)cn2)CC1 362252103 BEHGHRDNSTWALV-UHFFFAOYSA-N 350.344 2.531 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 363360425 HUTRPXPFBAZWOD-WDEREUQCSA-N 359.253 2.595 0 50 FFAA C[C@@](NC(=O)Cc1cccc(OC(F)(F)F)c1)(C(N)=O)c1ccccc1 164144748 KPKZLXGSOVLSSI-KRWDZBQOSA-N 366.339 2.645 0 50 FFAA CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cnc(Cl)nc1 1857779044 HUSMYUBDPMEDPO-UHFFFAOYSA-N 368.865 2.849 0 50 FFAA Cc1ccnc([C@@H](C)NC(=O)c2ccc3nnc(-c4cccn4C)n3c2)c1 2100543496 SAQJDXFCYRVVCQ-CQSZACIVSA-N 360.421 2.929 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 220100119 JKZXFJQSXOSUAC-MRUHUIDDSA-N 353.466 2.850 0 50 FFAA Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 1108428 GVIJSSKUGIJFHF-UHFFFAOYSA-N 361.467 2.753 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O 1175379 AUSBYSZNRJGFHY-ZDUSSCGKSA-N 352.390 2.906 0 50 FFAA Cn1nccc1-c1cccc(-c2cnc3cncc(N4CCC(O)CC4)n23)c1 2356141868 TVFDTSVSJIBHRW-UHFFFAOYSA-N 374.448 2.758 0 50 FFAA COc1ccc(CCN(C)CCC(=O)NCc2ccccc2)cc1OC 2461993 OUXFRGCDCLYXFC-UHFFFAOYSA-N 356.466 2.885 0 50 FFAA COc1ccc(-n2c(SCCC(=O)O)nnc2-c2ccncc2)cc1 4058715 KYLKOSXNWIIGQR-UHFFFAOYSA-N 356.407 2.905 0 50 FFAA Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCOCC4)c(C)c3cc12 4743938 RWCNMFXIRPLNDX-UHFFFAOYSA-N 355.390 2.866 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)C2)n1 222113783 GSODPLJOAKBSBJ-UALYNUFXSA-N 359.470 2.805 0 50 FFAA Cc1ccc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)c1 101689486 KGASUQSTBLWEAS-UOVPBQLFSA-N 367.449 2.622 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C(=O)N1c1ccccc1 246281575 KBALBUQQVJCOBV-UWWQBHOKSA-N 369.421 2.557 0 50 FFAA CN(C)Cc1ccccc1Cn1cc(-c2ccc3c(c2)OCCO3)nn1 67789937 TXWVUAOCOMXCFT-UHFFFAOYSA-N 350.422 2.826 0 50 FFAA O=C(NC1CCCC1)c1cn(C2CCN(Cc3ccccc3)CC2)nn1 20293676 CCSZIZVPVFQNJO-UHFFFAOYSA-N 353.470 2.788 0 50 FFAA C/C(NC(=O)c1ccccc1)=C1\OC(=O)[C@H](C)N1C(=O)c1ccccc1 28615376 YENGNFWBMHHHQD-ITRAFESCSA-N 350.374 2.693 0 50 FFAA O=C(COC[C@H]1CCOC1)Nc1ncc(Cc2ccccc2F)s1 117614111 IXVDPKAAFAKQGS-LBPRGKRZSA-N 350.415 2.865 0 50 FFAA COc1cc2c(cc1CNC(=O)c1c(C)[nH]c(C(C)=O)c1C)OCCO2 65387758 KEHLCQBSKIVJRR-UHFFFAOYSA-N 358.394 2.544 0 50 FFAA CN1CCC[C@H](NC(=O)c2coc(COc3cccc4cccnc34)n2)C1 67966299 DGQQHOIREDLWIS-HNNXBMFYSA-N 366.421 2.626 0 50 FFAA CC(C)CCC(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67834097 ONOHRYVTFOBPFD-INIZCTEOSA-N 356.470 2.713 0 50 FFAA O=C1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 2385646 MDDIUNABQLYFNA-SFHVURJKSA-N 351.358 2.664 0 50 FFAA biogenic COC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)s1 252484465 FXFWWMDYODYHMA-LLVKDONJSA-N 372.468 2.588 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccccc1-n1cccn1 77355126 HUFGIJFSNKSPTF-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA NC(=O)[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 252515615 MEUHAJOIPRFJQM-SLEUVZQESA-N 372.248 2.921 0 50 FFAA Cc1csc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(Cl)nc3)C2)n1 170641703 WBYYUMSJNWFDFQ-NSHDSACASA-N 364.858 2.845 0 50 FFAA O=C(Nc1cccc(CN2CCCCC2=O)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 229738282 VGOHGSLAYDZCTL-STEAMIEHSA-N 368.433 2.661 0 50 FFAA Cc1ccc(C2(O)CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc1 71314938 FKDUKHVHDWYLEY-NTEUORMPSA-N 358.463 2.674 0 50 FFAA Cc1cc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)nn1C(C)C 333591767 VEWHUGZYPUCZJJ-KRWDZBQOSA-N 353.470 3.441 0 50 FFAA O=C1[C@@H](N2CCOc3cc(O)ccc3C2)CCCN1c1cccc(F)c1 329210156 ZKVGFQCBLHEPHW-SFHVURJKSA-N 356.397 2.921 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)Cc3cc4n(n3)CCCNC4)c2)n1 72143509 BOVCPYMMOZPSBH-UHFFFAOYSA-N 364.497 2.811 0 50 FFAA CCCc1nnc(C(=O)N2CCN(c3cccc(OC)c3)C(C)(C)C2)o1 71749552 QYRCXXHRHKAVFA-UHFFFAOYSA-N 358.442 2.772 0 50 FFAA Cc1cccnc1[C@H](NC(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1 215432855 NAXUKQIFDXADHM-OAHLLOKOSA-N 368.462 2.888 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 72409972 BTQQMKAXLMBZFM-QFBILLFUSA-N 353.466 2.751 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCc2ncccc2C)C1 77504481 PUSHSMOVHHKNLM-UHFFFAOYSA-N 374.448 2.759 0 50 FFAA Cc1c(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)nnn1C1CCNCC1 237566444 TWAJCSRTJTWGMH-KPZWWZAWSA-N 371.460 2.704 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 215042987 CEHRCXTYQFGUFX-KRWDZBQOSA-N 370.501 2.525 0 50 FFAA CCCN(C(=O)c1n[nH]c(C)c1C)C1CCN(c2cc(C)nc(C)n2)CC1 332137697 LNSKBANUTYSLJC-UHFFFAOYSA-N 370.501 2.955 0 50 FFAA O=C([C@@H]1Cc2ccccc2O1)N1CCC(O)(Cc2ccccc2F)CC1 373343080 GVUUWCZUKGBPME-IBGZPJMESA-N 355.409 2.725 0 50 FFAA Cc1cccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c1F 72407141 ILAGBVNDPANADY-KRWDZBQOSA-N 374.456 2.812 0 50 FFAA Cc1nc(C)c(C)c(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)n1 77439692 VLFKQIXLYBJQFQ-UHFFFAOYSA-N 369.517 2.510 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCCN3CCOCC3)[nH]c2c1 77356100 CPZHFMYXILWKQW-SFHVURJKSA-N 356.470 2.647 0 50 FFAA Cn1ncc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1Cc1ccccc1 445005362 LNQNZCKGWYDGKP-UHFFFAOYSA-N 363.396 2.956 0 50 FFAA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)Cn2c(C)cc3ccccc32)n1 377672388 WOOOLFBPCSZJSC-SFHVURJKSA-N 351.454 2.849 0 50 FFAA CC(=O)N1CC2(CCN(c3ccc4ccccc4n3)CC2)C[C@H]1C(=O)O 82096521 FKUMDCIJOZLPHD-KRWDZBQOSA-N 353.422 2.527 0 50 FFAA Cc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cc1 220476993 RDXQWNJJIPNGSJ-WOJBJXKFSA-N 354.450 2.813 0 50 FFAA CC(C)(C)c1ncc(C(=O)NC2CCN(c3ccccc3F)CC2)c(=O)[nH]1 82116531 XUXDPHMPVDETPY-UHFFFAOYSA-N 372.444 2.605 0 50 FFAA CCOC[C@@H]1CCCN1C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 426701608 MUMIFOVIMHIBFU-INIZCTEOSA-N 365.495 2.539 0 50 FFAA NC1CC(c2cc(NCc3ccc(C(=O)N4CCCC4)cc3)ncn2)C1 223760295 OCQULJCQZWZQSB-UHFFFAOYSA-N 351.454 2.529 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H](c3nccn3C)C3CCOCC3)cc2o1 286875021 OAWJIWLIOPHSDL-QGZVFWFLSA-N 354.410 2.767 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)c1ccc2cccc(F)c2n1 91504345 HGOARQICUQDGJG-UHFFFAOYSA-N 362.364 2.514 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2cc(-c3cnn(C)c3C)on2)CC1 91707091 IAADATLWJRUBMU-UHFFFAOYSA-N 368.441 2.620 0 50 FFAA COc1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc2c1OCO2 95359098 HRRZHIMELPBJQG-RHSMWYFYSA-N 372.465 2.647 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCC2 97759232 VRVTWSYIEJWCNY-ZDUSSCGKSA-N 359.451 2.973 0 50 FFAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1cnc2ccnn2c1C 97480536 IBAOYPRYKPTSTF-CYBMUJFWSA-N 356.401 2.854 0 50 FFAA Cc1cc(C)n(CCNC(=O)Nc2ccccc2C(F)(F)F)c(=O)n1 96142001 NEUJSNHFUCYESW-UHFFFAOYSA-N 354.332 2.701 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H]1NC(=O)N(C)C 91321114 MWAZUWXSCXUEAC-GOEBONIOSA-N 363.527 2.995 0 50 FFAA COc1ccc2oc(CNC(=O)[C@@H]3Cc4ccccc4CN3C)nc2c1 95369158 CVKPEVODTIQOJH-KRWDZBQOSA-N 351.406 2.509 0 50 FFAA O=C(NCCc1nc(C2CC2)no1)Nc1cc(Cl)ccc1-n1cncn1 95512442 MRXKPWIJQAEYTM-UHFFFAOYSA-N 373.804 2.545 0 50 FFAA COc1cccc(-c2noc(CCCc3nc(-c4cccnn4)no3)n2)c1 91364829 UWRFLZNNMDMRGZ-UHFFFAOYSA-N 364.365 2.761 0 50 FFAA Cc1cnccc1-c1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1 426431389 SMSWEYVOBKAFGH-NRFANRHFSA-N 353.466 2.586 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 97637959 RNUQZIJXPWYTER-IRXDYDNUSA-N 359.474 2.915 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 239025359 BMUQWGQUKLMRNI-DRMAHVMPSA-N 361.825 2.970 0 50 FFAA O=C(C1CCCC1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91892537 PFNYFXVLCIMBKN-UHFFFAOYSA-N 368.485 2.754 0 50 FFAA O=C1C[C@@H](C(=O)NCc2csc(N3CCCC3)n2)c2ccc(F)cc2N1 97137904 AFNLNPCBIZEUEA-CQSZACIVSA-N 374.441 2.625 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)no1 91605152 WRTFQYWPZZUBDD-GOSISDBHSA-N 366.421 2.755 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(-c3ccccc3)nc1C)C2 91468871 JOXNZKQISGZNEV-FUHWJXTLSA-N 364.449 2.535 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc2[nH]c(CO)nc2c1 97743681 KOYXSGJNZHJLCG-UHFFFAOYSA-N 367.434 2.779 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCCCc1ccccc1OC)CC(=O)N2 91563108 AMOAKJBGAFPWTO-KRWDZBQOSA-N 368.433 2.879 0 50 FFAA COCCN1CCN([C@H](C(=O)O)c2cccc3c2oc2ccccc23)CC1 95363727 LMSXUIPOSAQCEY-IBGZPJMESA-N 368.433 2.976 0 50 FFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)C2)nc(N)n1 244811532 SGGMURHOPUHXMK-OCAPTIKFSA-N 367.787 2.708 0 50 FFAA Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3ccsc3C(=O)O)C2)n1 244673971 HZBFEJLPTJQLFV-ZDUSSCGKSA-N 362.455 2.535 0 50 FFAA Cc1ncsc1CCN(C)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 244788081 QJAUBAFJBJTXFY-UHFFFAOYSA-N 367.858 2.916 0 50 FFAA COc1cncc([C@@H](NC(=O)CC2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)c1 244852943 VCKRJDLPIRKULX-KPLVRAHFSA-N 366.461 2.824 0 50 FFAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCN1CCCC1=O 252536370 IHHAHLQUZAZBQB-UHFFFAOYSA-N 368.462 2.994 0 50 FFAA COCc1n[nH]c(-c2cccc(NC(=O)c3c(C)cc(C)nc3O)c2)n1 252481507 CNFZRAMTVMEXMH-UHFFFAOYSA-N 353.382 2.588 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)CN1CCOCC1 534647370 ZUDKIDFICWMLJY-CQSZACIVSA-N 369.893 2.601 0 50 FFAA O=C(c1ccc(OC(F)F)cc1)N1CCCN(C(=O)c2ccco2)CC1 363099832 ZRUNVTRYXDIQSS-UHFFFAOYSA-N 364.348 2.869 0 50 FFAA Cc1ccccc1CSCC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 299765427 GPYWBLRJNUEFHG-IBGZPJMESA-N 362.539 2.988 0 50 FFAA O=C(CCN1CCOCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 299790115 BBNHOPZGMZTPQQ-LJQANCHMSA-N 359.857 2.663 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)NCCCn3nc(C)nc3C)cc2)n1 299785870 SBEDPWITNFPHSL-UHFFFAOYSA-N 367.457 2.909 0 50 FFAA C[C@@H](NC(=O)c1ccc2c(=O)n(C)cnc2c1)c1nc2c(s1)CCCC2 299798893 PEFPSDRHBXLUJM-LLVKDONJSA-N 368.462 2.760 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 952986201 XUYKSWQFQOTBNT-CQSZACIVSA-N 356.426 2.661 0 50 FFAA CC(C)n1ncnc1-c1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 1565531290 MCNLDSAZPLFGMQ-MSOLQXFVSA-N 353.470 2.835 0 50 FFAA Cc1c(F)cccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565529869 BREZCVJMCYDSMU-HOTGVXAUSA-N 350.415 2.695 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nc(-c2ccoc2)no1 268938424 JDCPTIKURAPWJV-YUTCNCBUSA-N 359.382 2.507 0 50 FFAA CCc1csc([C@H]2CCCN(C(=O)c3c[nH]nc3[C@@H]3CCOC3)C2)n1 275453326 GXBFUYUJUVFNNL-QWHCGFSZSA-N 360.483 2.952 0 50 FFAA CCO[C@H]1C[C@@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)O)C1(C)C 193041005 DMZSXDUIBIBRBJ-YVEFUNNKSA-N 364.423 2.791 0 50 FFAA O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)N1CCC[C@H](C(F)(F)F)C1 194134422 WZCCSOZXRLZDKR-GOEBONIOSA-N 374.378 3.000 0 50 FFAA CCCn1nc(C)cc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2OC)C1 1506412251 AOTLBIKLCYYXMN-MRXNPFEDSA-N 370.453 2.597 0 50 FFAA Cc1oc(-c2cccs2)nc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704302388 IXAIKBCKIONQJV-CZUORRHYSA-N 356.451 2.537 0 50 FFAA CN(Cc1c[nH]nc1-c1ccccc1)S(=O)(=O)c1cnc2ccccn12 1775981584 MFQCYFVVFWVSAZ-UHFFFAOYSA-N 367.434 2.545 0 50 FFAA Cc1cc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)c(C)c(CN2CCCC[C@@H]2C)c1 1772804820 VHENZQBYNJZGMW-MTNREXPMSA-N 372.553 2.710 0 50 FFAA CN1CCOC2(CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C1 1772807935 WJXCGTZLOXXAKR-UHFFFAOYSA-N 356.388 2.571 0 50 FFAA O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1ccco1 5399789 NBPCFOHEGGLXDW-UHFFFAOYSA-N 359.385 2.973 0 50 FFAA COc1cccc(CN2CCC[C@H](NC(=O)CSc3ccccn3)C2)c1 11821818 BXOUBXQOPUTGKF-KRWDZBQOSA-N 371.506 2.963 0 50 FFAA COC(=O)CCC(=O)N[C@H](C)c1cnc(N2CCCCCCC2)nc1C 11934788 UMRUSDBIUGGZII-CQSZACIVSA-N 362.474 2.686 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)c1csc2nc(-c3ccccc3F)cn12 12299923 NUJDHEZIXRHSAA-LLVKDONJSA-N 370.413 2.612 0 50 FFAA O=C(NCc1ccccn1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12432604 SKNGRPHVXUWHCJ-HNNXBMFYSA-N 357.841 2.790 0 50 FFAA Cn1cc(CCC(=O)NCc2cccnc2Oc2ccccc2F)cn1 12441750 CUFCNCODXHLZOY-UHFFFAOYSA-N 354.385 2.996 0 50 FFAA Cc1nn2cc(CNC(=O)c3cn(CCC4CCCCC4)nn3)nc2s1 12447245 WZBGQRNESUCNQA-UHFFFAOYSA-N 373.486 2.591 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCO[C@@H](CCc2ccccc2)C1 14952127 HHWCRMNVWWXHQS-IBGZPJMESA-N 358.482 2.639 0 50 FFAA CC[C@@]12COC(=O)N1CCN(c1ncnc(Oc3cccnc3C)c1C)C2 1857688503 NDYKYGUWQJPGGR-LJQANCHMSA-N 369.425 2.702 0 50 FFAA CCOc1ncccc1C(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)C)O2 1857698392 OVRNCWYOVJTPHW-NVXWUHKLSA-N 362.470 2.651 0 50 FFAA O=C(CCCn1cncn1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210422974 VHLFBVJBOFDVNT-UXHICEINSA-N 364.449 2.589 0 50 FFAA CC[C@@H](NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(F)cc1F 328617397 CRKSNZLIHWJSSA-OEPMTFCVSA-N 362.424 2.959 0 50 FFAA Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328619935 GMKHCPXRZBCBMI-NSHDSACASA-N 356.348 2.841 0 50 FFAA O=C(O)CCN(C(=O)Cn1ccc2ccc(Cl)cc21)C1CCOCC1 238067194 GKTJLVVJRSYWSD-UHFFFAOYSA-N 364.829 2.777 0 50 FFAA CCC[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C1 137047416 VTWVFVPVESOIGC-HNNXBMFYSA-N 354.454 2.722 0 50 FFAA CC[C@H](CC1CCCC1)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 252506313 VYWGHNFRISWYGD-QGZVFWFLSA-N 367.511 2.675 0 50 FFAA Cc1cc(C(=O)COC(=O)c2cc3c(C(C)C)nn(C)c3s2)n(C)n1 1875295432 XVFRXUQDJLHYJV-UHFFFAOYSA-N 360.439 2.840 0 50 FFAA CCn1c(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)nc2ccccc21 1875392444 CDQYVDVMCSBQBZ-NWDGAFQWSA-N 353.426 2.732 0 50 FFAA Cc1cccnc1CCC(=O)N1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C 1875406624 ILEXNMLQGXPIEY-VDHUWJSZSA-N 357.498 2.674 0 50 FFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 4189548 ZIACBWRDQIKEGG-ISZGNANSSA-N 366.801 2.801 0 50 FFAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 4189538 HJWWOFVIQOFRPJ-CYBMUJFWSA-N 354.790 2.635 0 50 FFAA C[S@](=O)CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760087 ISGXLAWJVQOZFL-SANMLTNESA-N 369.490 2.867 0 50 FFAA C[C@H](C(=O)O)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 2325770612 LLIYLQQVZONBRO-QWRGUYRKSA-N 352.818 2.871 0 50 FFAA N[C@H]1CCCN(C(=O)c2ccc(-c3cnc4c(F)cccc4c3)nc2)C1 2325796751 IWYFHEVRILLHSL-INIZCTEOSA-N 350.397 2.999 0 50 FFAA O=C(NC[C@@H]1NCCc2ccccc21)c1cc(Cl)c2[nH]c(O)nc2c1 2325859089 NPXCKTPSICRMCD-HNNXBMFYSA-N 356.813 2.539 0 50 FFAA CC[C@H](C)C(=O)N(C)[C@H](C)CCNC(=O)c1ccc2c(c1)NC(=O)CC2 2325868949 REQQACLJACPRFA-UONOGXRCSA-N 359.470 2.584 0 50 FFAA O=C(Cc1cncc(O)c1)Nc1ccc2nnc(-c3ccc(F)cc3)n2c1 2325869756 ZVQRDXGWPFQSDU-UHFFFAOYSA-N 363.352 2.817 0 50 FFAA C[C@@H](C(=O)N(C)CC1CC1)n1cc(-c2ccc(C(F)(F)F)cn2)nn1 2325873671 PJOLBJSQHKEVJD-JTQLQIEISA-N 353.348 2.788 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1 916049 NFSLYGDTWZQQLB-UHFFFAOYSA-N 350.484 2.597 0 50 FFAA O=C(c1cncc(O)c1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356139942 NGVFDSFMPHFXHQ-NRFANRHFSA-N 365.433 2.585 0 50 FFAA COCCC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2356140125 VHVGCSMMOGOGKA-OAQYLSRUSA-N 368.477 2.987 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@]34CCCN(C)C4=O)n[nH]2)cc1 2356151852 CUEBNJKSLGECFD-FQEVSTJZSA-N 352.438 2.612 0 50 FFAA Cc1cnnc(-c2ccc(C(=O)NCCN=c3cc[nH]cc3C)cc2)c1C 2356169289 OLLZMLAQMSAQFL-UHFFFAOYSA-N 361.449 2.728 0 50 FFAA Cc1ccccc1-c1nc2ccccc2c(=O)n1[C@@H]1CCS(=O)(=O)C1 4197216 WTFMQUUHGVWSEX-CQSZACIVSA-N 354.431 2.732 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 4968908 OPXJDBMFLQVCSL-UHFFFAOYSA-N 356.447 2.737 0 50 FFAA CN(c1ccccc1)c1nc(N)nc(COc2ccc3c(c2)OCO3)n1 8816265 LDQGEBFMNBKTOS-UHFFFAOYSA-N 351.366 2.529 0 50 FFAA C[C@H]1CCCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)C1 10541555 CHQGSAOZOODPLT-NSHDSACASA-N 362.854 2.504 0 50 FFAA O=C(Nc1ccnn1C1CCN(CCCO)CC1)c1ccccc1Cl 67965069 BILRBECRQGKJKF-UHFFFAOYSA-N 362.861 2.808 0 50 FFAA Cc1ccccc1-n1c(SCC(=O)O)nnc1[C@H](O)c1ccccc1 65461876 GQEYRFXCBBIONR-MRXNPFEDSA-N 355.419 2.834 0 50 FFAA CCc1cc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3)ncnc2s1 328609970 GGCMJYHIWOHJRN-MEDUHNTESA-N 370.482 2.619 0 50 FFAA CC(=O)N[C@H]1C[C@@H](c2ccc3c(c2)nnn3C)O[C@@H](c2cccc(O)c2)C1 65460068 YJGUPQGGQMVLIF-YSGRDPCXSA-N 366.421 2.771 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 331280364 KLUMJPBMIVFNKL-YNZJMPHRSA-N 361.408 2.740 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)C1 65363012 KWDPPVUELUZPKF-JKSUJKDBSA-N 352.500 2.542 0 50 FFAA COc1cc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1427874 CNBNAUWYKAXIPU-CYBMUJFWSA-N 351.358 2.694 0 50 FFAA CN(CC(=O)N1Cc2cnc(-c3ccccc3)nc2C1)Cc1ccncc1 67879641 SEHOFYACTKXNCQ-UHFFFAOYSA-N 359.433 2.513 0 50 FFAA Cc1ccc(C)c(OCn2ccc(C(=O)NCc3cnn(C)c3C)n2)c1 2801275 SCBVKQXOAFADIR-UHFFFAOYSA-N 353.426 2.508 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 4124135 AXDMNWBMNALWAC-AWEZNQCLSA-N 368.714 2.834 0 50 FFAA COCC[C@H](C)NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 155732295 UXTZDMKPSMMCIJ-MGPLVRAMSA-N 354.859 2.810 0 50 FFAA O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1cnn2cccnc12 489298237 VCRIBSPWWSOLIJ-UHFFFAOYSA-N 373.298 2.581 0 50 FFAA COc1ccc(CCNC[C@H](O)COc2cccc(Cl)c2)cc1OC 71767435 YNOKLXJGTNZLGU-INIZCTEOSA-N 365.857 2.929 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cn2cccnc2n1 72407430 FGRNVBXNDCAYPS-UHFFFAOYSA-N 355.486 2.990 0 50 FFAA CS(=O)(=O)c1nnc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)s1 286011047 GWOIJLBRKHHFRJ-HUUCEWRRSA-N 361.492 2.762 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccoc2C2(O)CCOCC2)C12CCC2 375093217 IVKWGLUXBXXADZ-HZPDHXFCSA-N 363.454 2.697 0 50 FFAA Cc1ccccc1CCNC(=O)CN1CC[C@H](OCc2c(C)noc2C)C1 375169819 BYXZZMCMGSCNMU-IBGZPJMESA-N 371.481 2.550 0 50 FFAA Cn1cc([C@@H]2CN(C(=O)Nc3ccc(F)c(C4CC4)c3)C[C@H]2CO)cn1 376384296 HXKXOZPXLHVBEJ-YOEHRIQHSA-N 358.417 2.676 0 50 FFAA COCc1cc(NCCc2nc(C)c3c(n2)CCCC3)n2nccc2n1 72463874 NMNFTLPZDWXEHM-UHFFFAOYSA-N 352.442 2.508 0 50 FFAA O=C([C@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)CCN1)N1CCCC1 72146617 FIKMDEIFTSNQLS-GOSISDBHSA-N 373.884 2.996 0 50 FFAA CC(C)CN1CCC(NC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)CC1 175691483 BJYDJJINQAJJDQ-RUZDIDTESA-N 365.543 2.686 0 50 FFAA CCC(CC)CNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71759349 WDBZCASJQFYUEL-MRXNPFEDSA-N 361.486 2.528 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc(OC)nc4ccccc34)CC2)OC1=O 77437140 CXIKDHZSOFNDSK-UHFFFAOYSA-N 369.421 2.690 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@@H]1COCC[C@H]1Oc1ccccn1 222919278 QETDDUZVXQHSGU-IAGOWNOFSA-N 362.376 2.645 0 50 FFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)c2ccn(C(F)F)n2)cn1 220156274 ZVKLRBNZSZAMPI-LLVKDONJSA-N 361.352 2.964 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 426641603 WDWMNGDLNZJRAN-LJQANCHMSA-N 352.482 2.995 0 50 FFAA CCCc1cnc(C)nc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 426712643 MDHCLSVVCJTUGN-UHFFFAOYSA-N 366.465 2.742 0 50 FFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1ccc3ccccc3n1)CC2 426443286 MTJCJXUABVOQJS-HLAWJBBLSA-N 356.466 2.756 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 329969480 WNXSAUVDQRDDPS-UHFFFAOYSA-N 368.433 2.774 0 50 FFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)Cn1ccnc1-c1ccccc1 91746201 PZXQGQSPRWGPEB-HXUWFJFHSA-N 360.461 2.723 0 50 FFAA COc1ccc(-c2cc(C(=O)N(C)CCCc3cnn(C)c3)[nH]n2)cc1 91656446 QHSOLPVNRUMPNM-UHFFFAOYSA-N 353.426 2.524 0 50 FFAA CC1(C)C[C@H](CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 97446882 QJQSVVSWQVRXGP-LLVKDONJSA-N 364.437 2.884 0 50 FFAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(O)c1 91663138 NXMKFTDVRGSVNL-UHFFFAOYSA-N 372.465 2.656 0 50 FFAA CCn1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 95390950 ZUZFVKDRDZQBLJ-BHDDXSALSA-N 366.509 2.979 0 50 FFAA O=C(NCc1nnnn1-c1ccccc1)c1ccc([C@@H]2CCCO2)s1 91707293 WKTHNHJBTWRGRM-ZDUSSCGKSA-N 355.423 2.505 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1)C2 95525615 DLEUTJYHEZNLFA-LSDHHAIUSA-N 372.387 2.654 0 50 FFAA CCCn1ncc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c1C 91617043 ZZGLNJVFLQXCBH-UHFFFAOYSA-N 353.426 2.705 0 50 FFAA CCCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c(C)n1 91304569 BSPWLYCFUGREKJ-ZWKOTPCHSA-N 355.438 2.850 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)c1 239433156 XHKGLSKZVRERJG-WWTWNBORSA-N 364.445 2.684 0 50 FFAA COc1ccccc1NC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95386349 RNMAROJBUMRBSB-MRXNPFEDSA-N 371.485 2.865 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCC(=O)NC)CC2)C1 91965040 ICXLAOWRLSDXHN-IBGZPJMESA-N 371.525 2.631 0 50 FFAA Cc1cnc(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1O 253536828 PMGFMZXIJDXGHG-QGZVFWFLSA-N 360.479 2.593 0 50 FFAA Cc1cc(O)nc(S[C@@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1 299797967 UASVAHAJJDNOMZ-AWEZNQCLSA-N 372.494 2.756 0 50 FFAA O=C(c1cccn2cnnc12)N1CCCN(CCCc2ccccc2)CC1 299758239 NIOILXCLBZSOKP-UHFFFAOYSA-N 363.465 2.510 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828013152 WWTPMBJFWRHSOE-MRXNPFEDSA-N 372.396 2.803 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCCN1CCCc2ccccc21 827820395 GPQAGDQQILBZHK-UHFFFAOYSA-N 354.498 2.929 0 50 FFAA C[C@H](CNC(=O)N(Cc1cccnc1)C1CCCCC1)N1CCOCC1 584900455 ZYTWBAMEFBGJAI-QGZVFWFLSA-N 360.502 2.647 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cnc(O)c2ccccc12 670473480 SNUYEURFNCJOOM-ZDUSSCGKSA-N 365.389 2.568 0 50 FFAA O=C1C[C@@H](CNC(=O)c2ccc(-c3ccccn3)nc2O)c2ccccc2N1 1875263318 YNDSFKJTSUSIFX-ZDUSSCGKSA-N 374.400 2.705 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cnn(C)c4)[nH]n3)cc2)n1 1875322989 QTRAICXOFVLKIZ-UHFFFAOYSA-N 361.409 2.865 0 50 FFAA Cc1nc(C(=O)N2CCCC3(CC2)CC3)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300312 XONAECHZKAKOJN-QGZVFWFLSA-N 371.529 2.640 0 50 FFAA CCCc1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]2C(=O)O)c1 1875327656 DVFRJUXGYQNPTJ-MSOLQXFVSA-N 359.447 2.880 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 1875306847 DODBPQAFAXJWIP-SECBINFHSA-N 369.347 2.766 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C3CCOCC3)C2)c1 952976554 MYHVGALOKWYJRX-QGZVFWFLSA-N 373.497 2.574 0 50 FFAA COC[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886048318 CQUFCIYDWRXKMU-ULQDDVLXSA-N 358.404 2.776 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)Cc1c(F)cccc1Cl)C2 1073371074 FYINJMDBDVHSED-OLZOCXBDSA-N 367.852 2.626 0 50 FFAA O=C(Nc1ccc2c(c1)C[C@H](O)C2)c1ccc(OC[C@@H]2CCCO2)cc1 170618092 CHZVIFJYCAMOQO-QUCCMNQESA-N 353.418 2.956 0 50 FFAA CC[C@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 170620543 ZAKADYPXXYGCSN-ZDUSSCGKSA-N 360.426 2.886 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c2ccccc21 171955793 VAPQEJCJWRXASU-KRWDZBQOSA-N 355.482 2.846 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c1 188717734 FXGPEZWZOHAECN-QGZVFWFLSA-N 359.514 2.512 0 50 FFAA Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4NC3=O)CC2)s1 191957047 OGUGGYURSVTEDN-KRWDZBQOSA-N 369.490 2.768 0 50 FFAA CCOc1cc(CNCC2(COC)CCC2)ccc1OCCN(C)C 1506413680 LESQMBRPQCUHLQ-UHFFFAOYSA-N 350.503 2.932 0 50 FFAA Cn1c(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc2c(Cl)cccc21 1529191682 BNAFUXPPAUYSAG-AUUYWEPGSA-N 373.884 2.767 0 50 FFAA CCCN1C[C@H]2CN(CCN3CCOCC3)C[C@@]2(CCc2ccccc2)C1 1772815890 BGAZLISFDDNJHS-XZOQPEGZSA-N 371.569 2.595 0 50 FFAA O=C([C@H]1CC2CCN1CC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1775982685 CQKUWUULZISPFY-QGZVFWFLSA-N 367.415 2.838 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNC1(c2ccccc2)CC1 12298414 QMPWSXUKXYSXPG-HSZRJFAPSA-N 364.489 2.862 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)N(Cc2nccn2C)C(C)C)n[nH]1 12299819 HGRLADRNJKCCQO-UHFFFAOYSA-N 369.473 2.562 0 50 FFAA CN1CCC(CN(CCc2ccccc2)C(=O)CN2CCCCC2)CC1 12429278 SWQSVZAMLVLICD-UHFFFAOYSA-N 357.542 2.885 0 50 FFAA CC(C)n1nccc1C(=O)NC[C@H]1[C@H]2CN(CC(C)(C)C)C[C@]23CC[C@H]1O3 1857727727 YEMJAYOSMQMTLW-LTVCHDBBSA-N 374.529 2.719 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)c(O)c1 219459862 YZMAPPLGQZOULM-SJORKVTESA-N 367.449 2.532 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3c2ccn3C)o1 328615420 YHIDCQNQPGMRHC-INIZCTEOSA-N 354.410 2.898 0 50 FFAA O=C(O)CCN(C(=O)c1cc(F)ccc1Br)C1CCOCC1 238074065 GRNCILITRSBYBE-UHFFFAOYSA-N 374.206 2.684 0 50 FFAA CN(C(=O)CN1CCCC1=O)[C@H](c1cccnc1)c1ccc(F)cc1F 363621593 FJKDAPKINDTADQ-LJQANCHMSA-N 359.376 2.530 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccccc1)C(=O)NN=C2C 884546 IVPHRRHYFGWPOT-INIZCTEOSA-N 367.405 2.670 0 50 FFAA biogenic CN(CC(F)(F)F)C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 2325727577 NHNYFKGQFGQOGK-UHFFFAOYSA-N 350.331 2.992 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@]34CCCC[C@H]3C4)[C@@H]2C)cn1 2325828797 RGOTZUCAIHRJFF-XNWPKKHHSA-N 358.486 2.593 0 50 FFAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 640473 MPCSADAIGISOBZ-UHFFFAOYSA-N 363.439 2.760 0 50 FFAA O=C(CNC(=O)c1cccs1)OCc1ccc(Br)cc1 1121260 OOWQQCMIIWMXOE-UHFFFAOYSA-N 354.225 2.984 0 50 FFAA COC(=O)c1ccccc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 1787523 NIUPJYKKVWHGDP-UHFFFAOYSA-N 371.418 2.500 0 50 FFAA CCOC(=O)c1c2c(c(C(=O)OCC)n1Cc1ccccc1)OCCO2 2563964 DNSUDLABFAFLEM-UHFFFAOYSA-N 359.378 2.661 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2cncs2)CC[C@H]1O 2356152617 RSNXLOIVBVZEOD-IEBWSBKVSA-N 360.479 2.804 0 50 FFAA CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 4821424 YPLZHIQTPZRMHW-LBPRGKRZSA-N 366.414 2.530 0 50 FFAA CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)[C@@H]1c1cccnc1 6709348 RXCJIYACOOVUQP-QGZVFWFLSA-N 368.389 2.549 0 50 FFAA in-vitro COC(=O)CSc1nc2ccccc2c2nc(-c3ccncc3)nn12 9485860 CBVPBKZBQOPNFW-UHFFFAOYSA-N 351.391 2.605 0 50 FFAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 55422046 KGPKAPUADXKHDJ-LJQANCHMSA-N 352.434 2.607 0 50 FFAA CC(=O)Oc1c(C)cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1C 55270286 SSYXKPSVFHXZDP-LJQANCHMSA-N 352.434 2.641 0 50 FFAA CCCN(Cc1nccn1C)C(=O)COc1ccc(NC(=O)CC)cc1 55052584 RDTBSGMLBWNKES-UHFFFAOYSA-N 358.442 2.586 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 20992641 XSFIAEXUIWYQJI-IBGZPJMESA-N 374.506 2.604 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccccc3C)CC2)nc(C)n1 65364239 GFDMLJOPHRRAPM-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA O=C(CCc1cccc(Cl)c1)N1CCCC[C@H]1CN1CCOCC1 110956353 CXIIMESHAXAZAL-SFHVURJKSA-N 350.890 2.986 0 50 FFAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2ncc[nH]2)c1 20911038 VHGGQGIAQSKZKR-CQSZACIVSA-N 354.454 2.796 0 50 FFAA C[C@]1(c2cccc(C(=O)N[C@H]3CCCc4sccc43)c2)NC(=O)NC1=O 137403680 JEMQFFGXIVFUHR-IFXJQAMLSA-N 369.446 2.610 0 50 FFAA O=C(O)CCN(C(=O)c1ccc(Br)s1)C1CCOCC1 119011152 GYMMAOMPUJEVQF-UHFFFAOYSA-N 362.245 2.607 0 50 FFAA Cc1cc(=O)[nH]c(CCNC(=O)c2ccccc2-c2ccccc2F)n1 219309540 FPXOPYQJQUEMGO-UHFFFAOYSA-N 351.381 2.857 0 50 FFAA Cc1nn(CCC(=O)NCCc2nc(Cc3ccccc3)no2)c(C)c1C 219271383 GZNLELPDADYWDD-UHFFFAOYSA-N 367.453 2.531 0 50 FFAA Cc1ccccc1N1CCN(Cc2cccc(OCC(N)=O)c2)[C@H](C)C1 72454211 KBHDUTCAPLPZHJ-QGZVFWFLSA-N 353.466 2.570 0 50 FFAA CC(C)CN1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 124308293 BEKNRKQPSYHZGF-AWEZNQCLSA-N 359.445 2.765 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(c3ccnc(C)n3)C2)cc1OC 72147451 JPIUAYISUNRGND-SFHVURJKSA-N 370.497 2.946 0 50 FFAA CCn1c(CC2CCN(c3ncnc4sc(C)c(C)c34)CC2)n[nH]c1=O 71748611 ZIPAAIJOUXXHDV-UHFFFAOYSA-N 372.498 2.672 0 50 FFAA Cc1cc(C(=O)N2CCN(CCN3CCCC3)CC2)c2ccc(F)cc2n1 75723718 QFINSYMHELRREV-UHFFFAOYSA-N 370.472 2.536 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)c1cc(C2CC(O)C2)nc(N)n1 219047075 GZQSMZWACFIXPD-UHFFFAOYSA-N 362.861 2.986 0 50 FFAA CCn1ncc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c1C 72147740 IMYUWQXAOMRGTK-MRXNPFEDSA-N 368.547 2.677 0 50 FFAA CCCc1nc(C)c(CNC(=O)CCn2c(=O)[nH]c3ccccc32)s1 215712040 IMOBMBUZHDAWIQ-UHFFFAOYSA-N 358.467 2.754 0 50 FFAA O=C(O)CCN(C(=O)/C=C/c1cccc2cccnc12)C1CCOCC1 238072320 HKENCRHAOKXVQS-VOTSOKGWSA-N 354.406 2.730 0 50 FFAA CC(C)c1cncnc1N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 71765053 KCVNMUWQLSNMNY-INIZCTEOSA-N 371.529 2.559 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCCn1c(C)nnc1S 170641427 JYMAUCDDFHCGMF-CQSZACIVSA-N 360.483 2.510 0 50 FFAA CC[C@@H]1CN(C(=O)c2csc(NC)n2)CCC(=O)N1Cc1ccccc1 71774559 BYKXWKMQIUXOLH-OAHLLOKOSA-N 372.494 2.838 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccnc(C(C)C)n3)CC2)c1 72148106 SFHAKLVQHDYXKQ-UHFFFAOYSA-N 354.454 2.567 0 50 FFAA CCc1nccn1CCC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 72159225 VWVYSMMHWSDSPA-INIZCTEOSA-N 355.438 2.625 0 50 FFAA CNC[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C1 237326471 HXSAQEZJGYIEFG-CQSZACIVSA-N 360.433 2.575 0 50 FFAA NC(=O)CC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 174282509 WESHFTPLUQJRTJ-OAHLLOKOSA-N 353.422 2.992 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Cn2cnc3cc(F)c(F)cc3c2=O)C1 282265503 SPVGBQZLGLTLKU-CYBMUJFWSA-N 369.371 2.837 0 50 FFAA Cc1cccc(CCNC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 426412655 DGEXTHVWKIABBI-NRFANRHFSA-N 367.493 2.958 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nc3c(s1)CCCC3)C2 95499131 NEMPGZIWGWSALK-CYBMUJFWSA-N 358.463 2.898 0 50 FFAA CN(Cc1ccon1)[C@H](C(=O)O)c1ccc(NC(=O)N2CCCC2)cc1 95385508 BYEMBPZYYNAPEQ-INIZCTEOSA-N 358.398 2.560 0 50 FFAA COCC[C@@]1(CO)CCCN(Cc2cc(OC)c(OC)cc2Cl)C1 91445001 UZPSCKUCRNKMHR-SFHVURJKSA-N 357.878 2.968 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1c(C)nn2c(C)cc(C)nc12 97547710 JWXNUYNNILWZSV-INIZCTEOSA-N 353.426 2.509 0 50 FFAA Cc1cc(N2CCC(NC(=O)NCc3ccc(F)cc3)CC2)nc(C)n1 175527265 OUAWEMKGGPDZNK-UHFFFAOYSA-N 357.433 2.701 0 50 FFAA CC[C@@H](NC(=O)N1CCN(c2nc[nH]n2)CC1)C12CC3CC(CC(C3)C1)C2 426399110 XJRQDXDPDQLLLF-VQBCORBOSA-N 372.517 2.631 0 50 FFAA CCn1ccnc1[C@H](NC(=O)c1ccc2[nH]cnc2c1)C1CCOCC1 286655337 CUJCLRTWZNCTGM-QGZVFWFLSA-N 353.426 2.677 0 50 FFAA Cc1n[nH]c([C@H]2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)n1 97495398 OWFYSVNJAHFGTI-AWEZNQCLSA-N 368.441 2.651 0 50 FFAA Cc1[nH]c(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C 97773007 GWOLJPSGVZUVHB-JXMROGBWSA-N 365.477 2.771 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 91269722 RGKBVYUKADLPBE-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA CCOc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 91635988 JIIAHLUEZFUEJB-MAUKXSAKSA-N 356.466 2.948 0 50 FFAA Cc1cc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c(=O)[nH]c1C 91643612 SFWULJRVTINHKX-GOSISDBHSA-N 353.466 2.601 0 50 FFAA COc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c(OC)c1 91320872 PKTWFZVMHXWLPQ-IEBWSBKVSA-N 372.509 2.969 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 289120238 HCHATWNOBLEAIY-DOMZBBRYSA-N 369.473 2.823 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(F)c2)CC1 91858605 JVURHXWQKLJJNF-UHFFFAOYSA-N 354.433 2.579 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)Cn2cc(-c3cncnc3)nn2)n1 95357103 CTSQWCCECDXUOG-JTQLQIEISA-N 351.336 2.595 0 50 FFAA COCCc1nc(-c2cccc(C)n2)n(Cc2ccc3c(c2)OCO3)n1 91974313 MDAZOHOGJKLEHF-UHFFFAOYSA-N 352.394 2.614 0 50 FFAA Cc1nnc(-c2cccc(-c3cnn(CCN4CCOCC4)c3)c2)s1 96149361 DJEZJXFHWMKOOD-UHFFFAOYSA-N 355.467 2.709 0 50 FFAA Cc1nc(-c2ncc(C(=O)N[C@@H](C)c3csc(C)n3)c(O)n2)cs1 91951691 KTARCZSZCYXOHZ-ZETCQYMHSA-N 361.452 2.870 0 50 FFAA O=C(Nc1ccccn1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 244764170 PCNUTYMXRXTFBM-LBTBCDHLSA-N 359.385 2.645 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCCN(c2nc3ccccc3s2)CC1 252495999 PEDXRNHMZDVMKH-UHFFFAOYSA-N 373.507 2.996 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)NC[C@@H](C)CN(C)C)c2)n1 534658234 KZOSWSIBZUAGIH-OAHLLOKOSA-N 357.502 2.828 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)CC1 534658804 LAUFNVDWYJTQMU-HXUWFJFHSA-N 369.509 2.978 0 50 FFAA c1cnn(-c2cc(N3CCC(n4cc(C5CCCC5)nn4)CC3)ncn2)c1 63884928 XBBWEIYUWVGKMZ-UHFFFAOYSA-N 364.457 2.753 0 50 FFAA Cn1cnc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)c(F)c4)C3)cnc21 72146375 AALXQNBQDRRPBA-CQSZACIVSA-N 371.391 2.963 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@@H]3CCCCn4nnnc43)cs2)c1 299765238 DEHNERCSXORKML-OAHLLOKOSA-N 368.466 2.689 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N[C@@H](C)c1nc(C(C)C)no1 824852907 WVWKSRINRSYOIT-LBPRGKRZSA-N 369.425 2.955 0 50 FFAA Cc1nnc(SCCCNS(=O)(=O)c2ccc(F)cc2F)s1 670440776 NPUAJPYFQURSKR-UHFFFAOYSA-N 365.452 2.585 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)c1C 952967750 CMVSZPIIVPMJJF-ZDUSSCGKSA-N 369.425 2.661 0 50 FFAA COCCn1cnnc1[C@@H](C)NC1CCN(c2cccc(Cl)c2)CC1 952983635 WFKIZHHYVFSLBN-CQSZACIVSA-N 363.893 2.898 0 50 FFAA O=S(=O)(C[C@@H]1CCC2(CCOCC2)CO1)Nc1c[nH]c2ccccc12 1475722407 OGFGIEMDTWSHGH-AWEZNQCLSA-N 364.467 2.885 0 50 FFAA CCc1nnc(-c2ccc(NC(=O)[C@@H]3COCCN3CC3CCC3)cc2)o1 185771201 ZWMOPASUGZREFY-KRWDZBQOSA-N 370.453 2.738 0 50 FFAA CN1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)C[C@H]1c1nccn1C 275720433 HIPLUAHTDVVPKI-INIZCTEOSA-N 366.425 2.596 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccn3)CCO2)c1 192426393 FTHRCAKHENWVRV-ZDUSSCGKSA-N 369.347 2.538 0 50 FFAA CC1=NN(c2ccc(C(=O)NCc3ccnc(-n4ccnc4)c3)cc2)CC1 194657710 YNYYNCDLYMCNKC-UHFFFAOYSA-N 360.421 2.783 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)n1 1506424210 HPWVZPBWZFHDFS-CQSZACIVSA-N 361.442 2.775 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529195650 MPFWJDUIKHDEQO-IJEWVQPXSA-N 364.873 2.743 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)C(C)(C)Oc2cccc(C)c2)C[C@@H]1O 1704360435 YGAHRUPPEHEWFM-JXFKEZNVSA-N 363.454 2.617 0 50 FFAA CC(=O)N[C@H]1CN(Cc2ccc(OCCn3ccnc3)cc2)C[C@@H]1C(C)C 212663790 DUACOSBZSVSZBA-RTWAWAEBSA-N 370.497 2.555 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(C)C 219278453 PMBSPPKOYKSKAB-CVEARBPZSA-N 356.388 2.867 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc2c(c1)OCO2 140832809 CVKVEQODYZSVTB-UHFFFAOYSA-N 368.418 2.821 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(Cc3ccc(F)cc3)CC2)C1 11700960 BIEGCSGTTHFZMR-KRWDZBQOSA-N 359.489 2.781 0 50 FFAA CCCCNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12448857 UICCZQMKQVIGMN-IBGZPJMESA-N 358.530 2.674 0 50 FFAA COc1cccc(NC(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 12711500 VPMYBTSZVLXHGV-QGZVFWFLSA-N 353.422 2.660 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(N3CCc4[nH]ncc4C3)n2)cn1 19300797 YWVWYIJYYVEQQZ-UHFFFAOYSA-N 373.420 2.624 0 50 FFAA O=C(Cc1cccc(F)c1)NCc1nnc2ccc(-c3ccccc3)nn12 169778385 RYDPQRHJYHSDIG-UHFFFAOYSA-N 361.380 2.789 0 50 FFAA CCc1onc(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532034 XLFSMJUOHCUINP-ORAYPTAESA-N 356.426 3.000 0 50 FFAA O=C(CCCc1nc(O)c2ccccc2n1)N1CCC[C@@H]2CNCCC[C@@H]21 366836001 CSQABMZFMIEDNC-QAPCUYQASA-N 368.481 2.649 0 50 FFAA Cn1cc(C(F)F)c(CNS(=O)(=O)CCc2cccc(Cl)c2)n1 867794545 QPSICGAEAJLHFH-UHFFFAOYSA-N 363.817 2.673 0 50 FFAA CCCn1c(Cc2ccccc2)nnc1SCc1cc(O)nc(O)n1 1875252151 SJUXXNSDPFIFLS-UHFFFAOYSA-N 357.439 2.772 0 50 FFAA CCc1c(NC(=O)CC2(C(=O)O)CCCC2)c(=O)n(-c2ccccc2)n1C 1875290805 DKWZEUULFCOGCQ-UHFFFAOYSA-N 371.437 2.712 0 50 FFAA COC(=O)[C@H](CNC(=O)CCc1cscn1)Cc1ccc(F)cc1C 1875383409 SHWXKHOJUJNNLF-AWEZNQCLSA-N 364.442 2.671 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cc(-c4cnn(C)c4)[nH]n3)cc2)c1C 1875323025 SSUPYRFUYCWMAR-UHFFFAOYSA-N 361.409 2.865 0 50 FFAA CC(C)(NC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccc2c(c1)OCCO2 885739162 DEHVXJGGAHPFPP-HNNXBMFYSA-N 354.406 2.828 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@H]1C(F)(F)F 886059613 CSJZLCSZXQMOJN-GJZGRUSLSA-N 354.372 2.776 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccnc2c1nc(C)n2C 2100473742 XFEAYJBJAAXDTN-UHFFFAOYSA-N 354.414 2.590 0 50 FFAA CCc1ccc(-c2nc(C(=O)N=c3ccn([C@@H]4CCNC4)[nH]3)cs2)cc1 2325721710 ARSVOOQIODHREY-OAHLLOKOSA-N 367.478 2.778 0 50 FFAA C[C@]1(C(F)(F)F)CCN(C(=O)CCc2n[nH]c3c2CCCC3)CCO1 2325782790 GIDHCDDBOHGPNU-MRXNPFEDSA-N 359.392 2.791 0 50 FFAA C[C@@H](Sc1nccn1C)c1cccc(NC(=O)c2c(CN)cnn2C)c1 2325801899 ZVVPQVZEWFLYLF-GFCCVEGCSA-N 370.482 2.718 0 50 FFAA Cc1ncn(CCNC(=O)c2ccn3cc(C(F)(F)F)nc3c2)c1C 2325810500 OAHAGEVCELJOIV-UHFFFAOYSA-N 351.332 2.596 0 50 FFAA Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)C1CCCCC1 1124104 YKGDQERRJIMLQH-UHFFFAOYSA-N 360.454 2.751 0 50 FFAA CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2864975 VJHDJEPXYNHTDK-UHFFFAOYSA-N 360.797 2.772 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)s1 4519830 JCKBUKRDCOJQRJ-UHFFFAOYSA-N 364.431 2.512 0 50 FFAA COc1cc2oc(=O)c(CC(=O)NCc3ccccc3)c(C)c2cc1OC 4742511 DCMMKXXHBGMLGK-UHFFFAOYSA-N 367.401 2.978 0 50 FFAA C[C@@H](CN)N(C)c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 420190353 QNVYJWBMFGIXQN-NSHDSACASA-N 354.483 2.811 0 50 FFAA Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 54253550 VJDYHZRLHLKUBX-UHFFFAOYSA-N 374.488 2.991 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)nc(C)n1 67613784 PUVDLZFBFMEMJV-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@@H](c2nc3ccccc3o2)C1 229547729 MPFCVZOHGLZQHT-BZUAXINKSA-N 365.433 2.916 0 50 FFAA CC(C)n1c([C@H](C)NC(=O)c2ccc(C(N)=O)cn2)nc2ccccc21 135774100 RYTUHHXWMYWOOI-LBPRGKRZSA-N 351.410 2.602 0 50 FFAA Cc1ccccc1-n1cc([C@@H]2CC(=O)Nc3cc4c(cc32)NC(=O)CO4)cn1 65372623 YVCZXVHPBOZFKF-AWEZNQCLSA-N 374.400 2.986 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)Cc2nnc(-c3ccccc3)o2)c1C 65404103 VHUCJOGNGDJXBR-UHFFFAOYSA-N 368.441 2.640 0 50 FFAA CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc1 124159754 LDVNFTKWKIOVDC-QGZVFWFLSA-N 371.458 2.968 0 50 FFAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(c2cnccn2)C1 11938231 STZJNTPNTVLLBY-KRWDZBQOSA-N 353.470 2.569 0 50 FFAA CCn1ccnc(N2CCC(NC(=O)c3cc(C)cc(Cl)c3)CC2)c1=O 332564825 WVGFCODSALZXOP-UHFFFAOYSA-N 374.872 2.624 0 50 FFAA O=C(C1CCCC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67490277 HHIBNLVTOOWDGB-UHFFFAOYSA-N 354.454 2.532 0 50 FFAA O=C(NCc1nnc2ccccn12)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 454191926 AAPBEMWBUGDHST-OAHLLOKOSA-N 371.828 2.746 0 50 FFAA C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccn1 131116305 XNPAGPQGCIMMCZ-YJBOKZPZSA-N 352.438 2.633 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)cc1 77519908 KBMKCNJHQPLKQB-QGZVFWFLSA-N 374.481 2.715 0 50 FFAA Cc1c[nH]c(C(=O)N2CCc3nc(C)nc(NC4CC=CC4)c3CC2)c1 72407972 FDIPOKSICOJKGP-UHFFFAOYSA-N 351.454 2.793 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c(O)c1 77469812 TVNPTIVXLAWXCX-NRFANRHFSA-N 356.466 2.955 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(Cl)cc1 77355093 YJKKAPOJMINHFV-MRXNPFEDSA-N 358.891 2.551 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCCc1ccccc1 72418489 VSFXHWAQGVSVCE-HXUWFJFHSA-N 357.542 2.932 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccnn3CCC)CC2)OC1=O 77504399 DTOPHIXKVFGVSF-HNNXBMFYSA-N 362.474 2.909 0 50 FFAA Cn1ncc2c(NCc3nc(-c4cccnc4)no3)nc(C(C)(C)C)nc21 72148873 XWKQBBXCNLPWIK-UHFFFAOYSA-N 364.413 2.718 0 50 FFAA CCOC(=O)c1ccn(-c2cccc(CNC(=N)N3CCC(C)CC3)c2)n1 479226688 OICWOOQPSGRTIL-UHFFFAOYSA-N 369.469 2.805 0 50 FFAA C[C@@H]1CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[S@@](=O)C1 459541118 YSLOWHDXFNFKCL-KFKUIPHHSA-N 368.352 2.799 0 50 FFAA O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 14974286 VOCZEZUYEZRWTQ-PXNSSMCTSA-N 364.401 2.906 0 50 FFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCc2[nH]ncc21 133192242 AAGMPIFQXCZSHW-QGZVFWFLSA-N 356.445 2.750 0 50 FFAA Cc1cccnc1[C@@H](NC(=O)c1cc(C(C)C)n2ncnc2n1)C1CC1 216268461 UXEBLTJLANUGQL-KRWDZBQOSA-N 350.426 2.832 0 50 FFAA COc1ccc(CN2CC[C@](O)(CN3CCCCC3)C2)c(Cl)c1OC 77322626 YUMRWYOLPKNHME-IBGZPJMESA-N 368.905 2.780 0 50 FFAA CN1CCN(C(=O)c2ccccc2N2CCCCC2)C[C@@H]1c1ncc[nH]1 372574323 UHOXWNXNHYNOGY-GOSISDBHSA-N 353.470 2.529 0 50 FFAA C[C@H](SCc1ccc(Cl)cc1)C(=O)N1CC(N2CCOCC2)C1 219239494 VYVHDXZQCSMJEV-ZDUSSCGKSA-N 354.903 2.505 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 72433153 IADLFNQGCTVKFU-GOSISDBHSA-N 368.481 2.579 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 215259593 RLFYXUOVZLIKQZ-QGZVFWFLSA-N 356.447 2.671 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)CCN3CCCCC3=O)cc2)n1 77406189 KGPHBIUVTOGMBD-UHFFFAOYSA-N 354.454 2.574 0 50 FFAA C[C@H](c1nccs1)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 292676035 IELLYJTXKSAPND-GFCCVEGCSA-N 355.471 2.501 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cc1C 223574954 LGZVQAMNWVHPOG-IEBWSBKVSA-N 374.437 2.713 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]2C[C@@H](O)C2)c1 223118822 LRTNLQRFGAUJLH-QRFRQXIXSA-N 352.434 2.821 0 50 FFAA O=C(Cc1ccc(F)cc1F)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223382203 DLGJNXCLVACHRU-RTBURBONSA-N 361.388 2.998 0 50 FFAA CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CC(C)(C)OC1(C)C 178747263 QUTLPNCLZMHLQA-KRWDZBQOSA-N 368.543 2.950 0 50 FFAA CCCc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)[nH]n1 222333712 XKDIITNKELQPFI-KJXMEXGPSA-N 355.438 2.539 0 50 FFAA Cc1cccc2nc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)cn12 223169336 CUBNMDCXIBNLAM-SJLPKXTDSA-N 369.396 2.748 0 50 FFAA CCc1cc(-c2cccc(C(=O)NC3CCC3)c2)nc(N2CCOCC2)n1 426545479 ZXNZIWOSDWEMBM-UHFFFAOYSA-N 366.465 2.825 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 426668363 NMRFBQGELPCXCW-LJQANCHMSA-N 369.513 2.864 0 50 FFAA CN=c1cc[nH]c(-c2ccc(C(=O)N(C)Cc3cc(C4CC4)on3)cc2)n1 426545176 SEEKEAMXLQSWPO-UHFFFAOYSA-N 363.421 2.745 0 50 FFAA Cc1cc2c(cc1NC(=O)[C@H](C)n1nnc(-c3ccccc3)n1)OCO2 181341786 QLWKJIVYVRIWKB-LBPRGKRZSA-N 351.366 2.577 0 50 FFAA CCCN1CCC[C@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 426386293 KDTJDPJCQDNERP-INIZCTEOSA-N 357.458 2.752 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 426598997 PSXKMTKMVXTTSQ-NSHDSACASA-N 366.767 2.548 0 50 FFAA CN1CCC(n2nc(-c3ccncc3)nc2COC[C@H]2CCCCO2)CC1 96160048 JJBHTFOZPILEQL-GOSISDBHSA-N 371.485 2.693 0 50 FFAA O=C(N[C@@H](CO)Cc1ccc(Cl)cc1)c1cc(-c2ccc(O)cc2)n[nH]1 91289368 JFOITEJVMSGRCL-OAHLLOKOSA-N 371.824 2.769 0 50 FFAA Cn1nc(CNC(=O)c2ccccc2-n2cnnc2)c2c(Cl)cccc21 426691103 AKCBJNKIFDVHMW-UHFFFAOYSA-N 366.812 2.737 0 50 FFAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239046281 FMOBYPQXHDYUMX-XRGCCOQOSA-N 364.445 2.629 0 50 FFAA O=C1CCCCN1CCC(=O)N(CCCO)Cc1cccc2ccccc12 97578635 LSRZXARTHKFEMD-UHFFFAOYSA-N 368.477 2.953 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)c2n[nH]c3c2CCCC3)n1 96165751 RXHWGDKXMQGFER-UHFFFAOYSA-N 356.474 2.571 0 50 FFAA O=C(NCc1nnc2n1CCCCC2)Nc1ccnn1-c1ccccc1 96152519 XQHFQJZHDGBBCK-UHFFFAOYSA-N 351.414 2.512 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccccc1CCC(=O)N(C)C 97076152 ZRRYCEBNMZFBSL-UHFFFAOYSA-N 371.485 2.802 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c1 91493202 YEIKIZDYWVOPSZ-ROUUACIJSA-N 361.438 2.685 0 50 FFAA CCN1C[C@H](C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)CC1=O 91390702 GQCVTEGEDSGYFF-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA COc1cc(C)sc1C(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1 91439802 ZUTXCWHMXVRDCU-GOSISDBHSA-N 350.484 2.928 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)CC[C@@H]3CCCCN3C)[nH]c2c1 95362834 WLYGWQNCLNTDMG-HNNXBMFYSA-N 358.486 2.837 0 50 FFAA O=C1C[C@H](c2ccccc2)CN1CC(=O)N(Cc1nccs1)C1CC1 95497558 ANYVDCLNPBMNLA-HNNXBMFYSA-N 355.463 2.650 0 50 FFAA COc1ccccc1CC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)cc2)C1 95502615 VEDPDKYSIHMGTD-VQTJNVASSA-N 366.461 2.677 0 50 FFAA O=C1C[C@H](C(=O)NCCCN2CCCc3ccccc32)C2(CCCC2)O1 97243850 VIAJTILSTBLJEB-QGZVFWFLSA-N 356.466 2.821 0 50 FFAA C[C@H](NC(=O)C1CCN(C2CCOCC2)CC1)c1nc2ccccc2[nH]1 97772797 SKVNFIVNQYOCKF-AWEZNQCLSA-N 356.470 2.631 0 50 FFAA CN(C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)C1CCNCC1 95360402 ANGNQCHZXKYZMN-UHFFFAOYSA-N 352.413 2.964 0 50 FFAA Cc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C(=O)O 268944405 VHWZGMNFQCZURJ-HZPDHXFCSA-N 371.389 2.820 0 50 FFAA O=C(NCc1noc([C@H]2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 244659401 HBVZHSYOWONYEH-CQSZACIVSA-N 373.800 2.895 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)C1 253495895 UYMISKDBDMZQOT-LLVKDONJSA-N 350.802 2.642 0 50 FFAA CC(=O)c1cc(CN2CCc3nnc(Cc4cccnc4)n3CC2)cs1 252481643 CPVNITFFMNHCRS-UHFFFAOYSA-N 367.478 2.586 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCc3cnc4c(C)cccn34)C2)n1 534583346 BZBBVKFIBJLZNL-INIZCTEOSA-N 352.442 2.613 0 50 FFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)N(C)CC2(C)COC2)cn1 534583426 UPRIRZWUZHOUDC-CQSZACIVSA-N 358.442 2.620 0 50 FFAA NC(=O)c1cccc(NC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1 299772960 DCSRDRZSXFWLLH-SFHVURJKSA-N 366.465 2.787 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)c2cc3ccccc3n(C)c2=O)c1C 299795663 MUOSJXHHZBDZLE-LBPRGKRZSA-N 352.438 2.863 0 50 FFAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 828400417 GRKPLHGYNZXUNR-AWEZNQCLSA-N 365.311 2.637 0 50 FFAA Cc1nc(-c2cccc(C(=O)NCCc3nc(C)c(C)s3)c2)n(C)n1 584893946 BUCJFPIEGUXGMI-UHFFFAOYSA-N 355.467 2.836 0 50 FFAA COC[C@]1(C(=O)OC)CCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 1875265670 PBOFUWPAWFHAPW-FQEVSTJZSA-N 356.422 2.503 0 50 FFAA Cn1ncc(NC(=O)[C@@H]2CCOC3(CCCCC3)C2)c1-c1cnccn1 1875299337 HYPZUFLKAPLKBV-CQSZACIVSA-N 355.442 2.945 0 50 FFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(-c3noc(C4CC4)n3)cc2)cn1 1875383885 BXMJZSFBGKJDEB-VOIUYBSRSA-N 351.410 2.611 0 50 FFAA CS(=O)(=O)NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 1875390168 KUVFOHGDSUHDKU-CQSZACIVSA-N 357.790 2.675 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)CC1 1875365639 IUYVSRJYHRACMS-UHFFFAOYSA-N 370.371 2.968 0 50 FFAA CC(C)=CCC/C(C)=C/CN1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 1565528282 POEUYFCLGWIBAY-LXNJKZQLSA-N 357.498 2.939 0 50 FFAA Cc1nc(N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)c2ccsc2n1 1565509793 NBFYNHDZRZFNTB-HOTGVXAUSA-N 373.482 2.652 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(c3nc4ccccc4s3)C2)ccn1 886050488 TYYWAEASAXLZQC-MRXNPFEDSA-N 368.462 2.985 0 50 FFAA C/C(=C\C(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 271918434 SXSNEJGJITZUHH-OBIHZWKSSA-N 357.328 2.811 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3csc(C(C)C)n3)CCO2)o1 275250470 CDIKUGYAPPBRRW-GFCCVEGCSA-N 350.444 2.987 0 50 FFAA O=C(CCn1c(S)nnc1-c1cccs1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 225424381 RQSVBZJXZBVNDJ-DUBDDPSESA-N 360.508 2.846 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 188199489 BBWOVEXUANINNV-OAHLLOKOSA-N 361.486 2.873 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1ccc(C(=O)N(C)C)o1)(C3)C2 1506399615 PAMKZCIASIDEJS-RZTDZLQYSA-N 374.481 2.709 0 50 FFAA CC(C)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c(O)n1 1353726671 MANXPLOGVJIROS-SFHVURJKSA-N 363.421 2.817 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3N2)CC1 1506427216 KRWGDRYPISVKTH-INIZCTEOSA-N 373.840 2.644 0 50 FFAA Cc1ccc(OCCN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)c(C)c1 1529112603 ONKBOVKYCSFJQQ-XZOQPEGZSA-N 369.505 2.970 0 50 FFAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c1 212985603 DUAZEIMLDQONCA-MOPGFXCFSA-N 354.450 2.752 0 50 FFAA Cc1sc2ncnc(N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)c2c1C 1704297516 BKVCMNNWVSJVLF-ACJLOTCBSA-N 360.483 2.683 0 50 FFAA COc1ccc(CN2CCC[C@]3(CCC[C@H]3OC)C2)cc1OCC(=O)O 1704300511 WVCXYBJJLOITBZ-UYAOXDASSA-N 363.454 2.940 0 50 FFAA Cc1nc(N)nc(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1Cl 1704345012 ZGTFJBJYHQLHAX-CJNGLKHVSA-N 369.856 2.609 0 50 FFAA N[C@H]1CC[C@@H](NC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772813552 HBPKNHZTFOQGPA-SOUVJXGZSA-N 356.495 2.696 0 50 FFAA CC(C)c1ccc(CC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1 1772710775 SHCTUZGSTILPAU-FQEVSTJZSA-N 350.462 2.922 0 50 FFAA CCn1ccnc1CN1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 11818604 KZXBWTVWJZSYMX-GOSISDBHSA-N 364.453 2.692 0 50 FFAA C[C@H](O)CCN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 12314055 GRJVFOGRDMYJBA-KRWDZBQOSA-N 360.498 2.927 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 12590061 VQGWMKBPDBXYNO-NRFANRHFSA-N 362.489 2.845 0 50 FFAA CN1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 12796494 IOEPCRXODKCRIK-UHFFFAOYSA-N 352.463 2.988 0 50 FFAA CC[C@@H](C(=O)N1CCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715310 ZYDLEDNVALLLJW-INIZCTEOSA-N 356.463 2.773 0 50 FFAA CCOC(=O)CN(C)C(=O)c1ccc(-c2ccccc2C)nc1N(C)C 14889283 SWRHICCYCULTRM-UHFFFAOYSA-N 355.438 2.758 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)no1 16652217 ISOGIQQUCGLKOX-UHFFFAOYSA-N 367.402 2.549 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)N1CCC(C)(C)CC1 1857667261 GZENRXPFVPELMD-HDMKZQKVSA-N 372.531 2.549 0 50 FFAA CCOc1ccc2nc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)ccc2c1 1857669457 FICWZWQJMWIPIM-MGPUTAFESA-N 356.422 2.557 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(Cc2cn(C)c(C)n2)CC1 1857691705 XIIOZZHMWMDSRX-UHFFFAOYSA-N 362.905 2.887 0 50 FFAA CCCNC(=O)c1cc2c(s1)C1(CCN(c3ncccn3)CC1)OCC2 1857695057 RUWGLYQTRPNDCF-UHFFFAOYSA-N 372.494 2.746 0 50 FFAA Cc1ccc2ncnc(N3CCC[C@@]4(CCC(=O)N(C5CC5)C4)C3)c2n1 1857697529 XHQIOKHAIKHHGI-HXUWFJFHSA-N 351.454 2.705 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(CC(=O)NCc1ccccc1)CC2 1857697986 CFDOYGAGRWBVFO-UHFFFAOYSA-N 374.488 2.804 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)Cc2ccccc2C(F)(F)F)CC[C@H]1O 1857721135 AMXDCECJONEOHU-WBVHZDCISA-N 359.388 2.620 0 50 FFAA COc1ccc(-c2ccc(CN3CCC4(CC3)CNC(=O)CCO4)o2)cc1 1857724025 IQOUPECVAUSIHY-UHFFFAOYSA-N 370.449 2.826 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)C[C@H]1N 1857726626 ACAKJOLVTAJYLF-DFQSSKMNSA-N 370.497 2.590 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cnn(-c4cccc(F)c4)c3)C2)N1CC1CC1 211989931 BFCFPOSSZGVQGY-XLIONFOSSA-N 368.456 2.844 0 50 FFAA C[C@H]1CCCc2nc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)O)c3)cn21 416407884 MRNYLJJKNVKGRG-VIFPVBQESA-N 369.830 2.933 0 50 FFAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H](Cn2ccnn2)C1 125127509 IUMNJMLUXVQUDP-INIZCTEOSA-N 367.478 2.878 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cc2c(cc1Cl)OCCO2 333567886 RMKOPKZAEFCPBD-BNBDDXAPSA-N 359.809 2.808 0 50 FFAA Cc1nc(COc2cccc(C(=O)N3CC[C@](C)(C(=O)O)C3)c2)cs1 237762710 RCKQNWZWRVSVHX-SFHVURJKSA-N 360.435 2.967 0 50 FFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCCO3)N1 34792481 PFHXTNFFMKIEPW-LPHOPBHVSA-N 364.401 2.716 0 50 FFAA in-vitro CCOCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704342113 HBQPAVXUMNOHMI-OAQYLSRUSA-N 351.450 2.987 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCN(C4CC4)C[C@@H]3C)n2)c1 2100483630 CNRPVOWLWPELMU-HNNXBMFYSA-N 354.454 2.673 0 50 FFAA O=C1CC[C@H](/C=C/CN2CCN(c3ccc(Br)cc3)CC2)O1 2325801569 NTASKNGQVRKTJG-PYKQWIPUSA-N 365.271 2.833 0 50 FFAA C[C@@H](C(=O)N=c1[nH][nH]c2ccnc(O)c12)c1cccc(C(F)(F)F)c1 2325860541 LBYOEAPQGQWRBW-MRVPVSSYSA-N 350.300 2.846 0 50 FFAA CCCCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)CC)cc1 2833556 NKMFRVYXONKHLT-UHFFFAOYSA-N 366.512 2.913 0 50 FFAA COc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1 2887028 QHJSBBCGGBCHBA-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA Cc1ccc(CN(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 3003993 FDMCEPORWJORGJ-UHFFFAOYSA-N 360.479 2.711 0 50 FFAA Cc1cccc(C(=O)NCCC(=O)N2CCN(c3ccccc3F)CC2)c1 9266083 PAYIIHTXVZZZLW-UHFFFAOYSA-N 369.440 2.603 0 50 FFAA CC(C)(O)[C@H]1CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67472966 MZFSJCIDAUQTHX-ZDUSSCGKSA-N 361.417 2.751 0 50 FFAA COC(=O)N[C@H](C)C(=O)NCc1cccnc1Oc1c(C)cccc1C 67833427 YYBBYMARCVFKDZ-CQSZACIVSA-N 357.410 2.851 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(Oc2cnccn2)c1 134683711 NUEKEEJGXMGEMC-QGZVFWFLSA-N 365.393 2.897 0 50 FFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 64015611 NPRDLFKGNDLMTL-IBGZPJMESA-N 369.509 2.919 0 50 FFAA COc1ccc2c(C)nc(N3CCC[C@@H](c4cc(=O)[nH]c(C)n4)C3)nc2c1 67879614 HXVJXDSCSMFMFG-CQSZACIVSA-N 365.437 2.723 0 50 FFAA O=C(O)CSc1nnc(C2CCNCC2)n1-c1cccc(Cl)c1 65466357 QSWIYELVUKVVDO-UHFFFAOYSA-N 352.847 2.564 0 50 FFAA Clc1cnc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)nc1 65387950 PSXCZJUDOXVCPO-UHFFFAOYSA-N 368.872 2.697 0 50 FFAA CC[C@@H](C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F)n1nc(C)c(Cl)c1C 6554839 UKKMRRXBOJICHU-GWCFXTLKSA-N 366.771 2.964 0 50 FFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)n1 219373147 OAEPBRPTEAYWTO-CYBMUJFWSA-N 352.394 2.581 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3snnc3CC)CC2)OC1=O 77471434 XROPEUAVFCWGDX-LBPRGKRZSA-N 366.487 2.716 0 50 FFAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCS[C@H]2CCCC[C@H]21 170656850 PMTQRYJXNAMOOZ-KGLIPLIRSA-N 361.492 2.712 0 50 FFAA O=C(C1CCS(=O)(=O)CC1)N(CCc1cccc(F)c1)C1CCCC1 329798112 HONLZHIUATWDOO-UHFFFAOYSA-N 367.486 2.964 0 50 FFAA CCn1cc(C(=O)Nc2ccc(-n3ccnn3)cc2)c(C(F)(F)F)n1 435701696 STJWWSJOEVJKBZ-UHFFFAOYSA-N 350.304 2.755 0 50 FFAA CCC(CC)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72423180 SWDBPVKJVGCQRQ-UHFFFAOYSA-N 360.502 2.764 0 50 FFAA C/C=C/C=C/C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 170610482 JPZGHZBDPJGDSL-BSWSSELBSA-N 373.457 2.605 0 50 FFAA CN(C)c1ccc(N2CCC(NC(=O)[C@H]3CC34CCOCC4)CC2)cc1 170652214 WMSHXIRUHUNWMV-LJQANCHMSA-N 357.498 2.654 0 50 FFAA CON(CC1CCOCC1)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O 366963060 ONICWIRKOJPONP-UXHICEINSA-N 358.482 2.955 0 50 FFAA CC[C@H]1CN(C(=O)c2cccnc2OC)CCC(=O)N1Cc1ccccc1 71747268 YNNNOZPQOAZJJV-KRWDZBQOSA-N 367.449 2.744 0 50 FFAA CC(=O)NCCOc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)cc1 71749319 LXULFAPKWPMXSC-BIUPVWIKSA-N 356.466 2.710 0 50 FFAA Cc1cccc(OC2CN(Cc3ccc(OCC(N)=O)c(Cl)c3)C2)c1 72140150 OEDPNRFJMILFHH-UHFFFAOYSA-N 360.841 2.776 0 50 FFAA CCc1cc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc(C)n1 71762499 AWTZJFQCCGUXGR-HNNXBMFYSA-N 364.453 2.605 0 50 FFAA O=S(=O)(N[C@@H]1CCCC[C@H]1n1cccn1)c1cnc2ccsc2c1 333032210 HTYMUVHMCOFLPK-UKRRQHHQSA-N 362.480 2.955 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1 71775673 WLWDCWYUUQXBSO-CQSZACIVSA-N 354.410 2.655 0 50 FFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(N2CCOCC2)cn1 377544444 PVQRWELOQHWHHR-ACJLOTCBSA-N 354.410 2.562 0 50 FFAA CN(C)[C@H](CNc1nc(C2CC2)nc2c1CCNCC2)c1cccs1 72428072 NHGYVLVHYHKKCN-MRXNPFEDSA-N 357.527 2.819 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 72430547 RIHOOXHRCSMCPC-CYBMUJFWSA-N 350.426 2.805 0 50 FFAA Cc1cccc(OC2CN(C(=O)c3cnc(CN4CCCC4)s3)C2)c1 82170973 UAWHMVBMXQMSKL-UHFFFAOYSA-N 357.479 2.951 0 50 FFAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 263205104 ZAWKBQIDLVBQEO-APIJFGDWSA-N 371.355 2.900 0 50 FFAA Cc1cccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c1O 82107836 FHRJHHUIGUWQDN-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 223426739 JQOYQMLCJVIGMU-INIZCTEOSA-N 351.410 2.914 0 50 FFAA Cc1nccn1CCCNC(=O)c1cccc(-c2cc(N(C)C)ncn2)c1 426378006 OQWSJAWXSDXICH-UHFFFAOYSA-N 364.453 2.535 0 50 FFAA CC(C)(C)OC1CCN(C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)CC1 160737354 MLZNZELLDAOKKX-UHFFFAOYSA-N 361.467 2.632 0 50 FFAA COc1ccc(S(=O)(=O)NCCCc2c(C)noc2C)cc1Cl 84951283 SPENCXQFGFVRCF-UHFFFAOYSA-N 358.847 2.865 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)O)Oc3ccc(Cl)cc32)cc1 226087916 RGMOHJSNWVEDIY-OAHLLOKOSA-N 367.810 2.689 0 50 FFAA CCCN1CCC(CCNC(=O)N2CC[C@@H](n3nc(C)cc3C)C2)CC1 426510526 XGPUHOYAXDLGAW-LJQANCHMSA-N 361.534 2.968 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)N[C@@H](C)c3nc(-c4ccccc4)no3)C2)n1 426423828 XJNNEPUOCAHMOT-AWEZNQCLSA-N 366.425 2.877 0 50 FFAA CCc1nnc(CN2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n1C 286475012 YPGWJZZJTYSGMK-JTQLQIEISA-N 358.368 2.593 0 50 FFAA OCCn1nc(COc2cccc(F)c2)nc1[C@@H]1COc2ccccc2C1 96180470 RRSWFUVTMKIZSG-HNNXBMFYSA-N 369.396 2.707 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1onc2c1CCCC2 426423131 VEPYVONUDCOQFE-NSHDSACASA-N 359.813 2.742 0 50 FFAA O=C(CSc1ccncc1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 92064920 WAAIBRHMIIJQJX-HXUWFJFHSA-N 373.522 2.815 0 50 FFAA CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cn1 91706514 CFZJTALALFFZOD-OXJNMPFZSA-N 364.493 2.607 0 50 FFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ncc[nH]1 95386037 RYQKZPUASHSVEE-UHFFFAOYSA-N 359.389 2.585 0 50 FFAA Cc1nccn1CC1CCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)CC1 95376001 IMFUSNOJLMJYJS-UHFFFAOYSA-N 365.437 2.840 0 50 FFAA CCNC(=O)c1cccc(NC(=O)NCc2cnc(SC)n2C)c1C 96130969 ACQBKNQHRWKEDE-UHFFFAOYSA-N 361.471 2.522 0 50 FFAA O=C1N[C@H](C(=O)NCCc2cccc(C(F)(F)F)c2)Cc2ccccc21 97698943 VZELDDWKTTUXSM-INIZCTEOSA-N 362.351 2.719 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCc1n[nH]c3c1CCCC3)C2 95530416 PASNPYCDASJCSI-CQSZACIVSA-N 369.465 2.597 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 178260525 TZHHWZDVUYKEAQ-FSNWXROXSA-N 352.390 2.607 0 50 FFAA O=C(CCOc1ccccc1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91655838 SPXGPSVSHHEWSI-OAQYLSRUSA-N 356.466 2.707 0 50 FFAA CC(C)[C@@H](C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1 91270631 YVKVEGSUQZXISJ-HXUWFJFHSA-N 372.509 2.650 0 50 FFAA Cc1cc(C)c(NC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1 95510294 HYHQXFCACDIKTA-QGZVFWFLSA-N 352.438 2.929 0 50 FFAA COc1ccc2c(c1)OC[C@H](Cc1cncc(C(=O)N3CCCC3)n1)C2 91620136 KBKODEXUPJGDBS-AWEZNQCLSA-N 353.422 2.515 0 50 FFAA CC(C)n1cnnc1[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 292680728 IRKZHOONMSZJQT-ZDUSSCGKSA-N 352.446 2.718 0 50 FFAA Cc1nc(O)nc(O)c1CC(=O)NCC1(c2ccccc2)CCCCC1 253537131 YZQMCUWCQFOTBJ-UHFFFAOYSA-N 355.438 2.757 0 50 FFAA CN1CCC(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)(c2ccccc2)CC1 252536516 IUKVETJXLRRROI-MAEOIBBWSA-N 352.482 2.790 0 50 FFAA COc1ccccc1CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252550117 RZMRGEPRJFXYQU-KGVIQGDOSA-N 367.445 2.801 0 50 FFAA O=C(CCN1CCC(c2nnc3n2CCCCC3)CC1)Nc1nccs1 252509035 YBMJFOMGRLRTGG-UHFFFAOYSA-N 374.514 2.669 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2sc3ccccc3c2C)C1 252572017 YTRBJJLHYKYEED-BETUJISGSA-N 370.478 2.989 0 50 FFAA Cn1cc(N2CC[C@H](N3CCc4ccc(C(C)(C)C)cc4C3)C2=O)cn1 182252884 RZTKPQMGHXPNFR-IBGZPJMESA-N 352.482 2.881 0 50 FFAA FC(F)(F)c1cnc(CN2CCN(c3ncccn3)CC2)c(Cl)c1 263639816 KEEWRFINNOFVHK-UHFFFAOYSA-N 357.767 2.866 0 50 FFAA COc1cc(C)cc(OC)c1-c1ccc(C[C@@H](NC(C)=O)C(=O)O)cc1 534636286 LJEUNRIWMHWMQA-MRXNPFEDSA-N 357.406 2.811 0 50 FFAA CCOc1cc(C(=O)N2CCOc3ccccc3C2)ccc1OCC(=O)O 299745715 SBZSMFXBLSMYRM-UHFFFAOYSA-N 371.389 2.584 0 50 FFAA CCc1csc(CNC(=O)CCCn2cnc3ccccc3c2=O)n1 823542901 MIWSRYZJZIZIDR-UHFFFAOYSA-N 356.451 2.512 0 50 FFAA CCOCc1nc(Cc2ccc(OC)c(OC)c2)nn1CC(F)(F)F 823338157 TWOZKSUVIPCREF-UHFFFAOYSA-N 359.348 2.985 0 50 FFAA Cc1cc(O)nc(CCNC(=O)c2ccc(N3CCCC3)c(Cl)c2)n1 825119532 PFGHXXISVZJRPV-UHFFFAOYSA-N 360.845 2.717 0 50 FFAA O=C(NCc1cnc2c(c1)CCC2)N1CCC[C@H](OCc2ccccn2)C1 584892831 NEDMQUJMUUFCIW-IBGZPJMESA-N 366.465 2.856 0 50 FFAA CCC1=NO[C@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 584887962 YMRBMTCKCOGHOK-IBGZPJMESA-N 358.486 2.979 0 50 FFAA COc1cccc([C@H](C)NC(=O)N2CCN(Cc3ncccc3C)CC2)c1 584903901 DCUUIKHYUAJMSW-KRWDZBQOSA-N 368.481 2.987 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2ccnn2C(C)C)cc1Cl 952972825 WLXYCIHQRPGBQT-UHFFFAOYSA-N 350.806 2.955 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C3CCN(Cc4ccco4)CC3)CC[C@@H]21 1565514387 NQMVLWLFUOBTIQ-XLIONFOSSA-N 359.514 2.967 0 50 FFAA CN1C(=O)CCc2cc(CNC[C@](C)(O)c3ccc(F)cc3F)ccc21 187241141 GHOXASSZQXCXTA-FQEVSTJZSA-N 360.404 2.871 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)n1 1506400116 ANNDMQRODFKACX-AWEZNQCLSA-N 372.473 2.606 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccnn1[C@H](C)c1ccccc1 1529147109 UHOXBBLTVIMZII-MRXNPFEDSA-N 350.422 2.991 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1C(F)F 1529152553 MLFHTIRXXYGGKY-HZPDHXFCSA-N 350.365 2.766 0 50 FFAA COc1cccc(CCCNc2ccc(C(=O)N3CCOCC3)cn2)c1 1704304300 CMXIAIXPDXKQSF-UHFFFAOYSA-N 355.438 2.607 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccncc3Cl)C1)CC2 1704300577 XYWDPLRHBMMSHP-IBGZPJMESA-N 371.872 2.711 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(CC(C)C)nn1C)C2 221988157 XWVIHAKKFCXUMF-AEFFLSMTSA-N 372.513 2.648 0 50 FFAA O=C(NCc1cccn2nccc12)[C@@H]1CCCCN1C(=O)c1ccccc1 1772810498 IUFKABKWXWPWSQ-IBGZPJMESA-N 362.433 2.645 0 50 FFAA CC(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 5862667 YXAXTKUGRVZXRX-IBGZPJMESA-N 355.482 2.767 0 50 FFAA Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCCCN(C)C)c12 12031998 FMBUKBDMFKQGIH-UHFFFAOYSA-N 361.515 2.989 0 50 FFAA COc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 12138546 TUVQJZBMRWBRQM-MRXNPFEDSA-N 354.406 2.856 0 50 FFAA O=C(Nc1cccnc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 15436306 IBAIZNKKNCBMCG-UHFFFAOYSA-N 363.414 2.648 0 50 FFAA Cc1ccc(C(=O)N[C@@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 19300957 LUPQCTMSBYQREX-ZDUSSCGKSA-N 351.661 2.753 0 50 FFAA O=C1O[C@@H]2CN(Cc3c(F)ccc(F)c3F)C[C@@H]2N1Cc1ccccn1 19792273 FAXNEPHLGSKBKF-JKSUJKDBSA-N 363.339 2.704 0 50 FFAA COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772899 WJSWDYKAADPJCV-NSHDSACASA-N 368.368 2.702 0 50 FFAA CN1C(=O)C[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2Cl)[C@H]1c1cccnc1 1857530251 KPXOOXLQPRPMDP-WXSAJPJJSA-N 369.852 2.927 0 50 FFAA c1cn(C2CCOCC2)c(-c2ccc(OCCN3CCOCC3)cc2)n1 1857698404 PCRGJGGXHJRWHV-UHFFFAOYSA-N 357.454 2.613 0 50 FFAA CCCN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)NCCn1cccn1)C2 1857712083 QTNGEUIGAHNKSJ-TUNNFDKTSA-N 366.509 2.875 0 50 FFAA CSc1nc2nc(C)c(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)n2n1 225350108 IRNMFDHNQOVACF-DSRCVFDASA-N 373.526 2.946 0 50 FFAA CC(C)C[C@@H](C)Oc1cc(CNC(=O)N(C)Cc2cnn(C)c2)ccn1 111501720 YKCIJZAPPXJRMR-OAHLLOKOSA-N 359.474 2.970 0 50 FFAA CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(-c3nnnn3C)c2)n1 120726797 LWHIWSQFQMSXJM-UHFFFAOYSA-N 357.805 2.696 0 50 FFAA CCOc1ccc(C(=O)N(Cc2cncnc2)[C@H]2CCCNCC2)cc1 328628999 HSXGAFNEAGKBRE-SFHVURJKSA-N 354.454 2.660 0 50 FFAA O=C(NCc1nccn1C(F)F)c1cc(N2CCCC2=O)ccc1Cl 123346122 HJNVMGSQJPMKDL-UHFFFAOYSA-N 368.771 2.988 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CCC([C@@H]2C[C@@H](N)CCO2)CC1 333267428 JUQNQBOGXNUTQX-HKUYNNGSSA-N 368.481 2.539 0 50 FFAA Cc1ccsc1CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C)C2 1704335576 CKPGVFFSCOEAMG-SJORKVTESA-N 371.506 2.733 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)CC(F)(F)CN)C1 952892598 BBBGKCKMCMMWOB-UHFFFAOYSA-N 362.424 2.767 0 50 FFAA NCCCCNC(=O)c1cnn2c(-c3ccccc3)cc(C(F)F)nc12 1875287584 PUGFDMCSNMEUKI-UHFFFAOYSA-N 359.380 2.803 0 50 FFAA CCC1(CC)CC(NC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 1875319710 OPXITPPPWQEAFX-LJQANCHMSA-N 372.469 2.509 0 50 FFAA O=C(c1ccccc1Oc1ccc(F)cc1)N1CC[C@H](N2CC(O)C2)C1 1875320573 FYZSHDFDIZKKPP-HNNXBMFYSA-N 356.397 2.509 0 50 FFAA COC(=O)/C=C/CCNC(=O)c1cnn(Cc2ccccc2)c1C(C)C 1875312143 UMACOPQFCGYHDD-YRNVUSSQSA-N 355.438 2.904 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1[nH]ccc1C1CC1 1875401669 OJKLBVOUTFVCGV-GDBMZVCRSA-N 355.442 2.823 0 50 FFAA CO[C@]1(CN)C[C@H](C(=O)N[C@H](c2cccnc2)c2cc(C)cc(C)c2)C1 2325778987 YXXQCXWJEOSQHU-SBHAEUEKSA-N 353.466 2.658 0 50 FFAA Cc1c(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)oc2c(C)cccc12 2325785536 CZRNVCFHWWASSB-DJIMGWMZSA-N 353.422 2.816 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)c1cccc(Oc3cnccn3)c1)C2 2325799654 NDVPCBUOQXMFHQ-WQVCFCJDSA-N 353.378 2.594 0 50 FFAA CC[C@H](Cc1ccccc1)S(=O)(=O)N1CCC(c2cnn(C)c2)CC1 2325803404 FGZXCCQRTVQUES-LJQANCHMSA-N 361.511 2.951 0 50 FFAA Cc1cc(Br)cc2cc(CNC(=O)c3conc3CN)[nH]c12 2325856517 SJXRCDCXVNLAGJ-UHFFFAOYSA-N 363.215 2.616 0 50 FFAA COc1ccccc1-n1cnc(C(=O)N2CC[C@H](CN)c3ccccc32)c1 2325858356 KDURSFJTYGSCRX-OAHLLOKOSA-N 362.433 2.974 0 50 FFAA CCn1cc(NC(=O)c2cc(C(C)C)n(-c3ccccn3)n2)ccc1=O 129476698 XGSJBEJAZUJBKM-UHFFFAOYSA-N 351.410 2.825 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 832374 LJEUCKPUHBEFTD-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA CSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1 1065510 PBNXESNESSTYFZ-LBPRGKRZSA-N 350.465 2.714 0 50 FFAA Cc1sc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2c1C 1159904 LIXUVYCCJGEZQK-UHFFFAOYSA-N 363.464 2.613 0 50 FFAA CNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 1219779 OEWTYYKUDNLDAB-UHFFFAOYSA-N 366.870 2.898 0 50 FFAA Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 1454319 CJINYNXOHCURHD-UHFFFAOYSA-N 361.467 2.671 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3c(C)nn(C)c3C)C1)CC2 2356147255 OJICCKVVZATKDM-NRFANRHFSA-N 367.497 2.575 0 50 FFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1-c1ocnc1CC1CC1 2356159346 WRYNMAYDJHIEQS-NSHDSACASA-N 355.847 2.812 0 50 FFAA Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1 6728561 JRVFDMVUGLJEPC-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(Cc2ccccn2)CC1 53195074 RLARLNZFRMVHLT-UHFFFAOYSA-N 369.852 2.855 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 228315321 SOCVPTCBNONWGV-JENIJYKNSA-N 360.498 2.728 0 50 FFAA COC(=O)c1cc(=O)n(Cc2ccccc2)/c(=N\Cc2ccccc2)s1 100065083 ODBZZIQKXDPULL-QZQOTICOSA-N 366.442 2.846 0 50 FFAA CC1=NO[C@@H](C(=O)N2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)C1 67947326 IQXJBYHTSCNUIC-GOSISDBHSA-N 353.422 2.518 0 50 FFAA Cc1cnc(C(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)cn1 23339994 TVMUCCPOMWTQIK-UHFFFAOYSA-N 354.458 2.587 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 67689047 VLVICMCXHBCEBB-CQSZACIVSA-N 351.410 2.828 0 50 FFAA COc1cc(Cl)ccc1OCc1cc(C(=O)NC[C@@H]2CCCO2)no1 67772959 MBQPSNBDZSHRDS-LBPRGKRZSA-N 366.801 2.824 0 50 FFAA C[C@H](O)c1cn(CC2CCN(Cc3ccc4cccc(F)c4n3)CC2)nn1 20783030 YHBFEGYJYCIYDU-AWEZNQCLSA-N 369.444 2.931 0 50 FFAA Cc1ccc2cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(=O)[nH]c2c1 67725960 CULZAUYAPDHIGT-WBVHZDCISA-N 361.445 2.618 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)nc1 67881374 PNIWZTUOXNOMBT-UHFFFAOYSA-N 360.841 2.802 0 50 FFAA COc1ccccc1N1CCN(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)CC1 173985584 JEPGMHJXMHNLSN-AYHJJNSGSA-N 372.513 2.542 0 50 FFAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc(S(C)(=O)=O)cc2)c1 67513822 AESKICXKFGQXNJ-UHFFFAOYSA-N 359.447 2.796 0 50 FFAA C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)N[C@H]1CCCS(=O)(=O)C1 333799486 XXFXOPBEPNSNMM-FUHWJXTLSA-N 368.474 2.510 0 50 FFAA C[C@@H](NC(=O)c1ccccc1OCCN(C)C)c1nc(C(C)(C)C)no1 174672030 VCIZIZZQLFZNMN-CYBMUJFWSA-N 360.458 2.799 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 72167338 APSZGKLIXNZSRY-UHFFFAOYSA-N 366.808 2.684 0 50 FFAA Cn1cnnc1C1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72429488 OOKRTQFIUPYKQF-UHFFFAOYSA-N 356.470 2.538 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc(C)cc2F)CC1 77288093 PSXRPJJONYTCOT-UHFFFAOYSA-N 373.476 2.827 0 50 FFAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCc1cccc2ccccc12 72412137 ZYWDCWJYZOILCU-HXUWFJFHSA-N 351.494 2.572 0 50 FFAA Cc1c(C)c(C)c(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)c1C 151272637 FPRLDOPNHJUUHO-NRFANRHFSA-N 371.481 2.565 0 50 FFAA Cc1nn(C)c(N2CCOCC2)c1CN[C@H]1CC(C)(C)Oc2ccccc21 153002580 OHFPXMNCENURPZ-SFHVURJKSA-N 370.497 2.957 0 50 FFAA Cc1nn(C)c(C)c1OCC(=O)N1CCOc2ccc(C(F)(F)F)cc21 153500587 KWOSEBSEXSLBML-UHFFFAOYSA-N 369.343 2.860 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C1CCS(=O)(=O)CC1 72478334 PULQZJJVJGJOSG-UHFFFAOYSA-N 364.492 2.593 0 50 FFAA COCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cc(C)ccc3C)CC[C@H]21 72433402 DVBMLVIJCDIERX-AZUAARDMSA-N 372.509 2.722 0 50 FFAA Cc1nc(COc2ccc(/C=C/C(=O)N3CCC[C@@H](N)C3)cc2)cs1 157689804 ZMXQBVAYXVDGLC-YXMGTMDOSA-N 357.479 2.993 0 50 FFAA Cc1cc2oc(=O)cc(CN3CCOC[C@H]3c3nc[nH]n3)c2cc1C(C)C 375284809 ULVSTXGQYYSLPR-KRWDZBQOSA-N 368.437 2.916 0 50 FFAA Cc1ccc(SCC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1 375340774 GRVJNQGTQLGHDY-MRXNPFEDSA-N 372.494 2.863 0 50 FFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cccc(C(=O)N2CCCCC2)c1 289856964 QBTAXWDHPDLBEJ-WIYYLYMNSA-N 371.525 2.608 0 50 FFAA Cn1c(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc2ccccc21 222889316 JOPBVHKMXDQMLR-CRAIPNDOSA-N 371.462 2.739 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426510872 QSCPHTAWECFODB-NTPDMAOXSA-N 367.497 2.702 0 50 FFAA CCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccnn2CC)cn1 20603167 JCDXHOLOIPAJMN-UHFFFAOYSA-N 373.482 2.511 0 50 FFAA COCc1nc([C@H]2CCOC2)cc(N2CCN(C3CCCCC3)CC2)n1 426668461 SVWNWSMVOCMWDI-INIZCTEOSA-N 360.502 2.582 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)c2csc(CN(C)C)n2)C1 91604470 ZKODITHHVJAXCC-GOSISDBHSA-N 351.516 2.776 0 50 FFAA Cc1ncoc1-c1nc(COc2ccccc2)nn1CCc1cnc[nH]1 97743195 PJHBEPOJJAUCTM-UHFFFAOYSA-N 350.382 2.786 0 50 FFAA C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1 426361250 JMDJERWSCZYQIR-NSHDSACASA-N 374.343 2.636 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)NC[C@H](C)n1nc(C)cc1C 96139692 METSTEGAFNNHFX-HNNXBMFYSA-N 357.458 2.561 0 50 FFAA COc1ccc2c(c1)OC[C@@H](Cc1ccc3ncnc(NCCO)c3c1)C2 95526242 LPJKLOXKKJKMKI-HNNXBMFYSA-N 365.433 2.836 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(=O)[nH]c2ccccc12 91894131 IAAIZOVIBUKDBT-UHFFFAOYSA-N 350.422 2.792 0 50 FFAA CC1(C)CN(Cc2ccc(Cl)s2)CC[C@]1(O)CN1CCOCC1 91871267 WMPCVGKKZYZUSD-KRWDZBQOSA-N 358.935 2.697 0 50 FFAA CC(=O)NCCc1ccc(S(=O)(=O)NC2CCCCCCC2)s1 299033589 IFYCARCCZAQMMI-UHFFFAOYSA-N 358.529 2.818 0 50 FFAA O=C(CCc1cn2ccccc2n1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244626476 FMKDFQAUAPJIFH-OHNRDTAOSA-N 355.463 2.957 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 252505731 VTFXFSCJQCOLND-OALUTQOASA-N 362.539 2.594 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)NCc2nn(C)c3ccc(C)cc23)n1 534673043 DCAMAMNMPASQPT-INIZCTEOSA-N 368.441 2.874 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023102 HLLJDZPCPHWCGD-SAKMYQHLSA-N 365.433 2.628 0 50 FFAA O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCc2ncnc(O)c2CC1 299778878 IJTVQDSCYRTLEG-UHFFFAOYSA-N 370.306 2.973 0 50 FFAA O=C(N1CCN(Cc2cccc(Cl)c2)CC1)C1(Cn2ccnc2)CC1 299788812 XQYJFHXVQMVPOP-UHFFFAOYSA-N 358.873 2.661 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1 299790906 DKOVHYBTXAQYOE-OAHLLOKOSA-N 357.406 2.888 0 50 FFAA O=C(c1ccc(F)cc1)N1CCC(c2ncnn2CC(F)(F)F)CC1 670455246 MQAAAPLIUYPOGC-UHFFFAOYSA-N 356.323 2.999 0 50 FFAA C[C@H]1CN(CCCNC(=O)N(Cc2cccc(O)c2)C2CC2)C[C@@H](C)O1 670443536 CWKLVEZGHYETDQ-IYBDPMFKSA-N 361.486 2.566 0 50 FFAA FC(F)(F)[C@@]1(c2nc(-c3ccccc3)no2)CCN(Cc2cnon2)C1 952892128 KKCDUQQJRSHJQO-HNNXBMFYSA-N 365.315 2.826 0 50 FFAA COc1cccc([C@]2(F)CCN(c3nnc(Cc4ccncc4)n3C)C2)c1 1875276862 JNXDYGPPAHDXNJ-FQEVSTJZSA-N 367.428 2.885 0 50 FFAA C[C@@H](C(=O)N1CCOC2(CCS(=N)(=O)CC2)C1)c1ccc(F)cc1F 1875396092 VIKUAUJSQNENDI-FJICEURKSA-N 372.437 2.506 0 50 FFAA Cc1ccc([C@@H]2CCC[C@H]2NC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)cc1 1875330635 WDLXAQZWHDURIX-SIMDTXORSA-N 370.493 2.821 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccnc(C(F)(F)F)c1 1875314526 CHFAQYGWKPBADV-ZJUUUORDSA-N 368.359 2.786 0 50 FFAA COc1cc(Cl)ccc1C(=O)N(CCC(N)=O)CCc1ccccc1 952970380 KGNHQIIYZXGORU-UHFFFAOYSA-N 360.841 2.909 0 50 FFAA O=C1CCN(C(=O)c2cc3ccccc3n2CC(F)(F)F)[C@@H]2CCCN12 888166890 YKWFYPGIUBKZRL-OAHLLOKOSA-N 365.355 2.998 0 50 FFAA CN1CC[C@H](NC(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@@H]1c1ccc(F)c(F)c1 186283596 PYKAVAPSMYAYEL-LPHOPBHVSA-N 373.403 2.706 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cccc(OC3CCCC3)c2)cn1 275574840 ORURTBWUTPNIAM-CTNGQTDRSA-N 368.481 2.851 0 50 FFAA COC[C@H]1[C@H](NC2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCO[C@H]21 1074602433 CPNWWQQIQSQGAC-WTLGNFPFSA-N 352.425 2.573 0 50 FFAA COC(=O)[C@@]1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(O)cc2)C1 408525745 GOPMLEGZIODINF-NRFANRHFSA-N 367.401 2.648 0 50 FFAA CCOC(=O)c1cn(CC(=O)c2cc(C)[nH]c2C)c2nc(C)ccc2c1=O 170626661 LOCCWYAWFOXNNQ-UHFFFAOYSA-N 367.405 2.709 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C12CCOCC2 225364803 WJPGCNSWGBHSCZ-CEXWTWQISA-N 359.466 2.697 0 50 FFAA C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 280545756 NKTBITGNIRVTPI-ZDUSSCGKSA-N 357.903 2.901 0 50 FFAA Cc1nc2ccccc2nc1CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O 192987195 HUYMCADNYHRJEH-QFIPXVFZSA-N 372.428 2.918 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1Cl 1506421750 MMKUQOKFSHZGRK-QGZVFWFLSA-N 357.841 2.743 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1Cl 1506413704 LSPWMAFKADCFFQ-CYBMUJFWSA-N 369.874 2.646 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC(O)(c3ccccn3)CC2)c1 1506398203 AFKOMUYKUNHYGE-SFHVURJKSA-N 367.493 2.859 0 50 FFAA CN(CCN1CCOCC1)C(=O)[C@@](C)(Nc1ccccc1)c1ccccc1 1506399253 KZZJGZHNSFBJJV-QFIPXVFZSA-N 367.493 2.805 0 50 FFAA CC(C)n1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1704351920 LTBOKYQXKAYCSH-UZLBHIALSA-N 364.449 3.000 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@H]12 1704299158 NLENXCNKNBESHG-IFMALSPDSA-N 371.525 2.596 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697483 WLEJPVQWBCVHNM-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA O=C(Cc1cn2ccsc2n1)N[C@H]1CCCN(Cc2ccccc2F)C1 12208348 AKJVHXXNGMOQME-HNNXBMFYSA-N 372.469 2.858 0 50 FFAA COc1cccc(N2C(=O)CN(C(=O)COc3ccc(C)cc3)C[C@H]2C)c1 12278448 ZEACXOMVZSJBIW-MRXNPFEDSA-N 368.433 2.646 0 50 FFAA CN(C(=O)CCCn1cncn1)[C@@H]1CCCN(CCCc2ccccc2)C1 12591966 ZEVFFJYJQILNGJ-HXUWFJFHSA-N 369.513 2.614 0 50 FFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)C1 13745573 IKHNCKVCVJUEOM-AWEZNQCLSA-N 359.451 2.755 0 50 FFAA COc1cccc(CNCC[C@H]2CCC(=O)N2CCc2ccncc2)c1 14888953 BMOWKYZMCBJGFT-LJQANCHMSA-N 353.466 2.804 0 50 FFAA COc1cccc2c1OCC(CN[C@H]1CCCN(c3ncccn3)C1)=C2 14980494 IZYKMPWJXBTLSB-KRWDZBQOSA-N 352.438 2.520 0 50 FFAA COc1cc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc(OC)c1O 19549412 FOGIWEMJTJSPOS-UHFFFAOYSA-N 374.412 2.507 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3sc(=N)[nH]c3c2)CCN1c1ccc(F)cn1 1857673658 XFFRFHVHXARXNU-LLVKDONJSA-N 371.441 2.594 0 50 FFAA CC(C)CCN1CCOC2(CCN(C(=O)c3cccc(O)c3)CC2)CC1=O 1857691068 YKPKDXIDZAGBPE-UHFFFAOYSA-N 374.481 2.662 0 50 FFAA OCc1csc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 1857695286 CONKGPVZMFQVRF-IAGOWNOFSA-N 360.479 2.887 0 50 FFAA COc1ccc([C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2NC(C)=O)cc1 216163742 GEFAGPNRVDFMSU-XLIONFOSSA-N 362.433 2.747 0 50 FFAA O=C(CCc1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 225386850 MGMPMRHMVBCCFW-WBVHZDCISA-N 362.420 2.757 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCC2(CCCCC2)C1 111161259 JEAFKMXKYIRKPY-INIZCTEOSA-N 364.511 2.926 0 50 FFAA C[C@H](NC(=O)N1[C@@H](C)CC[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 123996222 HFMJQGZQNMKBCG-ZNMIVQPWSA-N 359.470 2.987 0 50 FFAA COc1ccccc1-n1nnc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1C 16624182 SVWSNRDTCQAANG-UHFFFAOYSA-N 371.485 2.623 0 50 FFAA O=C(Nc1cccnc1)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 378548111 UEGCMXFFOFUHFN-OAHLLOKOSA-N 352.373 2.616 0 50 FFAA Cc1ccc(CN(CC2CC2)C(=O)Nc2ccc(-n3nccn3)nc2)cn1 831299759 VHBWVIWIZPWMOF-UHFFFAOYSA-N 363.425 2.810 0 50 FFAA O=S1(=O)CCC[C@H]1CNc1nc(-c2ccccn2)nc2sccc12 858448479 NHMMQABWXRNWEO-NSHDSACASA-N 360.464 2.742 0 50 FFAA C[C@H](CNC1=CC(=O)OC12CCCCC2)NC1=CC(=O)OC12CCCCC2 4558222 GOZPJPJEACHIPI-OAHLLOKOSA-N 374.481 2.841 0 50 FFAA Cn1cc(-c2ncc(CN3CCc4c(cc(F)cc4C(=O)O)C3)s2)cn1 2325783248 HTPFRNCBUPAXIS-UHFFFAOYSA-N 372.425 2.939 0 50 FFAA Brc1ccc2ccc(N3CCN[C@H](c4cn[nH]c4)C3)nc2c1 2325790811 MYBBSGKVNSSGEB-HNNXBMFYSA-N 358.243 2.871 0 50 FFAA O=C(N[C@H]1c2ccccc2CC1(F)F)[C@H]1CC(=O)N(c2nccs2)C1 2325796539 XCXLSAKQMAJXRX-FZMZJTMJSA-N 363.389 2.545 0 50 FFAA C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](c3ccccc3)(C(F)(F)F)C2)C1 2325828391 GBCQCPNENQDBSW-DYVFJYSZSA-N 354.372 2.587 0 50 FFAA COCCN1CCC[C@]2(CCCN2CCOc2cccc(C)c2C)C1=O 2356143260 ADJUNQGEAIUHRL-NRFANRHFSA-N 360.498 2.786 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cc(O)nc3ccccc23)C1=O 2356158069 BYBZTOZGUYTWSW-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)c1ccccc1 2952591 KLAPYRLZZZQQMV-UHFFFAOYSA-N 366.822 2.930 0 50 FFAA O=S1(=O)C[C@@H]2[C@H](C1)N(c1ccc(F)cc1)C(=S)N2c1ccccc1 4168072 KPSMOCQPWHFTJP-CVEARBPZSA-N 362.451 2.603 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N[C@@H](C)CC(C)(C)O)C1 458396165 LUXFNAUPDCCQQU-GOEBONIOSA-N 351.466 2.952 0 50 FFAA COc1cc(C(=O)Nc2ccccc2C(=O)N(C)C)cc(OC)c1OC 6702294 LIBNYMQILJKALZ-UHFFFAOYSA-N 358.394 2.667 0 50 FFAA O=C1COc2cc(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)ccc2N1 54033840 MKXRXKJVVFNIIA-MRXNPFEDSA-N 368.389 2.828 0 50 FFAA CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1 8479001 UEEHNEVSHYIQFG-UHFFFAOYSA-N 370.540 2.581 0 50 FFAA CC[C@H](Cn1cncn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 225408489 COUQVRDYGHLTCT-KGLIPLIRSA-N 369.391 2.824 0 50 FFAA O=C1CCC[C@H](C(=O)NCCc2ccc(Oc3ccccc3)c(F)c2)N1 225520756 CPSUXNPCYWHXBH-QGZVFWFLSA-N 356.397 2.945 0 50 FFAA O=C(CC[C@H]1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1 20567489 JWOWERPAIMOKLT-IBGZPJMESA-N 366.461 2.951 0 50 FFAA Cc1ccoc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67650649 DMPDNERVTDCMOR-UHFFFAOYSA-N 366.421 2.541 0 50 FFAA CCc1nccn1CC(=O)NCc1cccnc1Oc1ccc(C)nc1 67673602 UCUIIYXNXRTWEA-UHFFFAOYSA-N 351.410 2.653 0 50 FFAA CCn1cc(-c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)cn1 2808796 OKPMDTKMJYFWEZ-UHFFFAOYSA-N 351.439 2.684 0 50 FFAA CCOC(=O)c1nc2ccc(I)cn2c1Cl 4051298 ZHNMISOGQCBLEC-UHFFFAOYSA-N 350.543 2.769 0 50 FFAA CN1CSC[C@H]1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72468961 MJMYUCQVTVMWIA-AWEZNQCLSA-N 374.428 2.520 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@]4(CC3)CNC(=O)O4)CCCC2)cc1 72144426 IYXUSLZABGQTRU-FQEVSTJZSA-N 372.465 2.998 0 50 FFAA Cc1nn(C)c2ncnc(N3CCC([C@@H](O)CCc4ccccc4)CC3)c12 72475310 YTHFXFXCHVKPPI-SFHVURJKSA-N 365.481 2.882 0 50 FFAA O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 252504253 VIVVZZXOGBFPGE-KRWDZBQOSA-N 362.351 2.564 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC[C@@H]1CCO 71405627 PWSMSDOUNTZQBW-MRXNPFEDSA-N 358.486 2.553 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCc4ccccc4C3)ccc21 77303757 DOWJUCJDFUIFGQ-UHFFFAOYSA-N 365.433 2.565 0 50 FFAA CC(C)(C)c1nc(CCNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cs1 153792199 AHJFZJXTJWVPMU-CVEARBPZSA-N 359.495 2.941 0 50 FFAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(CCn3ccnc3)C4)n2)cc1 328608389 YVSPBTLRFZFKHX-WIYYLYMNSA-N 363.465 2.911 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](CO)c3ccccc3)c12 72424984 SFRKUCWYTMHMKH-MRXNPFEDSA-N 360.421 2.879 0 50 FFAA COCCc1noc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1 129381463 CSDUEBXWPFUECM-UHFFFAOYSA-N 361.833 2.730 0 50 FFAA COCCN(C)c1ccnc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 170601896 ZWMNLWSAGOJMRU-CQSZACIVSA-N 360.483 2.641 0 50 FFAA C[C@H](C(=O)Nc1ncccn1)N1CCC(Oc2ccc(F)cc2F)CC1 125064992 UIHHDLYXPADWPW-GFCCVEGCSA-N 362.380 2.625 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NC[C@@H](CO)C(C)C)c1 330675574 JKOHVXRDZKATNR-OALUTQOASA-N 360.498 2.679 0 50 FFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccccc1N1CCOCC1 367902937 YFTOPCWWMIJSIT-MGPUTAFESA-N 367.449 2.845 0 50 FFAA CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C1 330792496 URDHXWOPMWTQMB-STQMWFEESA-N 358.360 2.962 0 50 FFAA O=C(COCC(F)(F)F)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 331566009 LBAPWUPZYCEKNT-GHMZBOCLSA-N 363.336 2.554 0 50 FFAA CCN1CC2(CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)OC1=O 72426291 ADNYAATZDAOQJA-UHFFFAOYSA-N 360.458 2.904 0 50 FFAA CCCOCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 72148649 FNIFBEIQCPGTEK-LJQANCHMSA-N 361.530 2.708 0 50 FFAA Cc1cc(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c2cnn(C)c2n1 128607319 STIOJVSDTGVOSG-AWEZNQCLSA-N 369.494 2.857 0 50 FFAA Nc1[nH]nc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1Cl 223120116 QJGVHIGOQFXVCI-JTQLQIEISA-N 358.833 2.617 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O 82109529 BORUNAXUQORTEC-FQEVSTJZSA-N 361.530 2.646 0 50 FFAA CC[C@H](C)n1ncc(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1C 241161357 KADQIXWHCYPAQI-ZDUSSCGKSA-N 372.473 2.678 0 50 FFAA CC(C)(CNC(=O)N1CCC[C@@H]1CO)c1ccccc1Br 131372780 NGRYPSYMNGHWLR-GFCCVEGCSA-N 355.276 2.893 0 50 FFAA Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)o1 17073408 JYHNTPUWIZWXTI-UHFFFAOYSA-N 354.859 2.748 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cc1 82138863 MYKWGZDONNIWQY-LJQANCHMSA-N 364.511 2.797 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC2(CC1)CN(C)C(=O)O2 223662896 VKPAXVFIRUWCEV-UHFFFAOYSA-N 369.421 2.636 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3OC)c2)C1 426487311 IADUQYVBPYJGIU-QGZVFWFLSA-N 372.469 2.982 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(-c2cccc(N)n2)cc1)c1ncnn1C 426614970 AMSTZFVLABFMKY-KRWDZBQOSA-N 364.453 2.977 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)n1 426581040 UZDCHQPUQVKRIS-UHFFFAOYSA-N 374.448 2.513 0 50 FFAA Cc1nc2ccc(C(=O)NC3CCN(c4cnccn4)CC3)cc2s1 426399438 QSXLJRFCIBHZDP-UHFFFAOYSA-N 353.451 2.794 0 50 FFAA O=C(NC[C@H](c1ccncc1)N1CCOCC1)c1cc2c(s1)CCCC2 91425893 TWCJSBPLPUMKLL-QGZVFWFLSA-N 371.506 2.825 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CCC(C(=O)O)CC1 237120756 XURYSOPFGGNYBZ-UHFFFAOYSA-N 370.243 2.714 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)N2CCN(c3cccnc3)CC2)c1C 426555481 JERPOUIEOFXNHO-AWEZNQCLSA-N 356.474 2.508 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)cc1 95390261 JCHBOZBTOKCFJS-INIZCTEOSA-N 368.437 2.723 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 239038549 DKMJOTIUFSZSNO-WRFANHODSA-N 362.857 2.736 0 50 FFAA Cn1cc(N2CCN(C(=O)Nc3ccccc3N3CCCCC3)CC2)cn1 175637056 YRBCQVVWGJIOTQ-UHFFFAOYSA-N 368.485 2.765 0 50 FFAA COc1cccc(-c2cc(-c3nc(C)nn3C3CCN(C)CC3)[nH]n2)c1 96140116 SQEKZROIBSLWKV-UHFFFAOYSA-N 352.442 2.919 0 50 FFAA COc1coc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1=O 95375060 HGEWUMHNBVWFTI-CYBMUJFWSA-N 367.405 2.620 0 50 FFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1ccc(-c2nccn2C)cc1 426428955 LMIPDVUFJTXUMC-LJQANCHMSA-N 364.449 2.895 0 50 FFAA C[C@H](O)c1cccc(N2CCC(c3nccn3CCCN(C)C)CC2)n1 95357097 YGHJUVUHTUPIJQ-INIZCTEOSA-N 357.502 2.667 0 50 FFAA COc1nc2c(cc1C(=O)N[C@@H](c1nc(C3CC3)no1)C(C)C)CCC2 91858738 PEFWGFLEGLLCOU-OAHLLOKOSA-N 356.426 2.966 0 50 FFAA CSCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91526575 CDEGWAFBYBJMIA-UHFFFAOYSA-N 360.523 2.823 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91563056 UEXFZOIVYCCGNG-MAUKXSAKSA-N 365.433 2.547 0 50 FFAA Cc1ncc(C(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)c(C)n1 97636663 HSIDDUFPWBLJCU-FQEVSTJZSA-N 362.433 2.864 0 50 FFAA Cc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)n1 96165278 NDSQQTHHKRDOBM-FQEVSTJZSA-N 370.497 2.672 0 50 FFAA Cc1nc(N)nc(N2CCC(NCCc3ccc(F)cc3)CC2)c1Cl 95498305 HVJBDVGKTTXPSF-UHFFFAOYSA-N 363.868 2.961 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cnc(NCC)nc2)C1 95379838 CWACBCFMHVBTHP-HNNXBMFYSA-N 356.474 2.925 0 50 FFAA CCCOc1c(CN2CCN([C@@H]3CCNC3)CC2)cc(Cl)cc1OC 97743418 QFVCJTHBLOGKGH-QGZVFWFLSA-N 367.921 2.617 0 50 FFAA O=C(CN(Cc1cccc(O)c1)C1CC1)Nc1nnc([C@H]2CCCO2)s1 244678506 IEVMXRDDQPPGTR-OAHLLOKOSA-N 374.466 2.698 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC[C@H]2CCCO2)cc1 248142947 TYOHTRVRUGQOHX-KZNAEPCWSA-N 359.422 2.938 0 50 FFAA Cc1nc(CC(=O)NC[C@H]2CCC3(CCN(C(C)C)CC3)O2)c(C)s1 243901013 AYKFFJGUZWJAAM-MRXNPFEDSA-N 365.543 2.841 0 50 FFAA O=C(NCc1cccc(Cn2cnc3ccccc32)c1)N[C@@H]1CCOC1 179014237 BANPDSIMJBYIDH-QGZVFWFLSA-N 350.422 2.673 0 50 FFAA COc1cccc(-c2noc([C@@H](C)NC(=O)N3CCCC[C@@H]3CCO)n2)c1 180675244 DZHZTOVGABZCMK-UKRRQHHQSA-N 374.441 2.753 0 50 FFAA N[C@@H]1CCC[C@@H](C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)C1 299749041 IYGZNOLXUHSBAH-IXDOHACOSA-N 355.482 2.647 0 50 FFAA Cc1ccc(N2CC[C@H](C(=O)N(C)Cc3cc(C(=O)O)c(C)o3)C2=O)cc1 299747022 BWBNKRJEJNCVHU-MRXNPFEDSA-N 370.405 2.606 0 50 FFAA CC(C)c1ccnc(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)n1 184268728 SCOWVSKLAAGNRP-UHFFFAOYSA-N 366.531 2.632 0 50 FFAA COc1ccc(-c2cc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)n[nH]2)cc1 32476120 SVALFIUUBBSGMC-HNNXBMFYSA-N 368.315 2.558 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)Nc2cc(C)nn2C2CCCC2)n1 299776726 KYSJRCLMTJVOOX-GFCCVEGCSA-N 362.434 2.761 0 50 FFAA COCc1nc([C@H](CCSC)NC(C)=O)n(-c2cccc(C)c2C)n1 824490530 FZJYWJIUIFMLQH-HNNXBMFYSA-N 362.499 2.961 0 50 FFAA O=C(NC1CCCCC1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565526771 VQDDROSBMZLJSY-CJNGLKHVSA-N 362.499 2.608 0 50 FFAA Cc1cc2c(N[C@H]3CCN(C(=O)c4ccccc4)C[C@@H]3O)ncnc2s1 1565509483 DIXAVQMSHXVOMS-HOTGVXAUSA-N 368.462 2.687 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCO[C@@H](c2ccc(F)cc2F)C1 188391923 GNMWWLKRCZHXOX-QGZVFWFLSA-N 361.344 2.950 0 50 FFAA O=S(=O)(Cc1ccn(-c2ccc(F)cc2)n1)C[C@@H](O)C1CCCCC1 189972694 ZDYKLZDKICGEQJ-GOSISDBHSA-N 366.458 2.867 0 50 FFAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc21 194053621 NQXOXHDCXQAVOG-WMLDXEAASA-N 374.437 2.890 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnc(C)o2)c1 1506418703 PPOJPNVCVHSJPC-MRXNPFEDSA-N 361.467 2.986 0 50 FFAA Cc1noc(CN2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)n1 1529120072 SFKSTSDMULVVNR-QGZVFWFLSA-N 354.454 2.532 0 50 FFAA CCCN1C[C@@H]2CN(CC3COCCOC3)C[C@]2(CCc2ccccc2)C1 1772807682 RONRACIMOHEXOZ-PKTZIBPZSA-N 372.553 2.926 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 11879530 LYLFKMWLQIBHOK-OAHLLOKOSA-N 368.481 2.787 0 50 FFAA Cc1cc(=O)c(C(=O)NCC(C)(C)CN(C)C)c(CC2CCCC2)n1C 12332290 LWJNZLMSLMHZOQ-UHFFFAOYSA-N 361.530 2.744 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@H]2CCCCCN2C)CC3)c1 12445029 YMYMOTKNOAAQQB-LJQANCHMSA-N 368.481 2.844 0 50 FFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 12706787 CJSNFUHWHBSISH-FQEVSTJZSA-N 371.525 2.555 0 50 FFAA O=C(NC1(C(=O)O)CCNCC1)OCC1c2ccccc2-c2ccccc21 15446372 TYZATUPFIDNJJS-UHFFFAOYSA-N 366.417 2.732 0 50 FFAA CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860646 MHEFZXPQAGQAPT-UKRRQHHQSA-N 372.918 2.797 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NCc2cccc(C)c2)CN1Cc1ccccc1 206067690 PQQPMZBXUOBQPM-RTWAWAEBSA-N 351.494 2.864 0 50 FFAA Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cn4)[C@@H](C)C3)cnn2c1 1857675277 QMYLNNRWMXIAKD-AWEZNQCLSA-N 353.401 2.528 0 50 FFAA O=C(CCc1cccnc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857677095 XABNWMSUDDQLJC-VWPQPMDRSA-N 350.462 2.999 0 50 FFAA C[C@H]1COC[C@H]2CN(C(=O)CCc3ccc(-c4cccs4)o3)CCN12 1857734819 SQYXZZZEQCLRTF-LSDHHAIUSA-N 360.479 2.872 0 50 FFAA Cn1cc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)c(C(F)(F)F)n1 331827968 XFHHMFLJZCMRRW-CYBMUJFWSA-N 368.359 2.914 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 133459760 SSXVTUFEMVKEHW-DLBZAZTESA-N 369.469 2.554 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)cn1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 911670837 KRLYDJOJBFZAJS-NVXWUHKLSA-N 358.369 2.911 0 50 FFAA Cc1oc(-c2ccccc2F)nc1C(=O)N1CCO[C@@]2(CCCOC2)C1 804131249 GYLALVBCINXVPS-IBGZPJMESA-N 360.385 2.811 0 50 FFAA COC[C@](C)(CC(=O)O)NC(=O)c1ccc(Cl)cc1Br 831563530 MZXLYQOCWMKMFJ-ZDUSSCGKSA-N 364.623 2.712 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2sc(CC(C)C)nc2C)C1 952852975 SERVJQUUOWUJQB-CHWSQXEVSA-N 364.471 2.944 0 50 FFAA O=C(OCc1cc(F)cc(-c2cccnc2)c1)C12OC3[C@H]4COC[C@H]3[C@H]1[C@H]42 1875293585 WBRVFNZSOKZIEE-BRNWFBDQSA-N 367.376 2.591 0 50 FFAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 1875270461 CKBODLWBAPWMSK-IKGGRYGDSA-N 356.372 2.647 0 50 FFAA O=C(c1cc2c(F)ccc(F)c2[nH]1)N1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 1875302204 DKINSBMFAOWNEL-OTYXRUKQSA-N 374.347 2.655 0 50 FFAA C=CC(=O)N[C@H](C)C1CCN(C(=O)C2(Oc3ccc(F)cc3)CC2)CC1 1875386709 XELLOCLRUGQHNG-CQSZACIVSA-N 360.429 2.666 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(C)c4ccccc4C3)nn(C)c21 1875401422 XUDLKHPAWFSQHY-KGLIPLIRSA-N 354.454 2.535 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H](NC2CCOCC2)C1)c1ccc(F)cc1F 883028625 PEWKRLAOWQFGDJ-XJKSGUPXSA-N 367.440 2.968 0 50 FFAA CO[C@]1(c2nnc(-c3ccc(Cn4nc(C)cc4C)cc3)o2)CCOC1 886085316 CXVWSHGKHZKXGO-LJQANCHMSA-N 354.410 2.860 0 50 FFAA COc1ccc(-c2nnc3sc(-c4c(C)nn(C)c4C)nn23)cc1OC 36358732 YUPFQOXKAHUJIM-UHFFFAOYSA-N 370.438 2.887 0 50 FFAA C[C@H]1CN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)CC(=O)N1C 2325701006 FSJRRAHXEAMIQD-OWNNVSBGSA-N 369.396 2.715 0 50 FFAA O=C(/C=C/c1ccccc1)NCCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 2325704748 JFJKPTMOIRLUGN-GLEINUIRSA-N 368.477 2.670 0 50 FFAA CNC(=O)c1cc2cc(NC(=O)N3CCC[C@@H]3c3ccn(C)n3)ccc2[nH]1 2325792594 WFAVNTLEEHJUPS-QGZVFWFLSA-N 366.425 2.630 0 50 FFAA CC1(C)CN(C(=O)c2cnc(C3CCNCC3)[nH]2)Cc2ccc(F)cc21 2325808363 TWQXXKJGCLSUHN-UHFFFAOYSA-N 356.445 2.949 0 50 FFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C1=NC[C@H](c2ccc(CO)cc2)N1 2325863670 RWCAJSFSBBGZAF-HXUWFJFHSA-N 361.449 2.701 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCc3c(Cl)cc(F)cc3C2)C1 2325889143 BHZDTSJNJOCZOY-LBPRGKRZSA-N 350.821 2.788 0 50 FFAA O=C(O)c1csc(CC2CCN(C(=O)[C@H]3Cc4ccccc43)CC2)n1 910785110 MCNBOWRHIGMMPI-HNNXBMFYSA-N 356.447 2.962 0 50 FFAA O=C(Nc1cccc(N2CCCCCC2)c1)C12C3C4C1C1C2C3C41CO 2332239230 KVHXWVOQCROQHO-UHFFFAOYSA-N 350.462 2.736 0 50 FFAA CSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccccc21 822104 BWNXQVYDYHIFEH-SFHVURJKSA-N 363.402 2.870 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cncc(=O)[nH]3)C2)[C@@H]2CCCCN12 2356143218 YZUPIKRJRZGKLJ-NEPXVJNWSA-N 372.513 2.521 0 50 FFAA COc1ccc(OC)c(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c1 2807036 RDCLIUXFPRICNL-UHFFFAOYSA-N 350.396 2.523 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N[C@H]1CCS(=O)(=O)C1 8729341 FJOJHQNKJRUBPT-KRWDZBQOSA-N 368.458 2.612 0 50 FFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 248683288 XSVPVFJDUWDWHT-BOXVUQSHSA-N 355.475 2.883 0 50 FFAA COCCN(CC(=O)Nc1cc(C)ccc1OC)C1CCSCC1 225672340 MPBSKQMZZXDHRM-UHFFFAOYSA-N 352.500 2.786 0 50 FFAA CCOc1ccc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)cc1 55058897 KGUWOELVPGLZRB-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA Nc1nc2c(s1)[C@@H](c1cccc(OCc3ccccn3)c1)CC(=O)NC2 65456625 NDJLIFQURMFIQY-OAHLLOKOSA-N 366.446 2.851 0 50 FFAA Cc1cc(C(=O)N2CCC(Cn3cc(-c4ccccc4)nn3)CC2)no1 23369165 RNKAKLLBFHFPRS-UHFFFAOYSA-N 351.410 2.794 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1cccnn1 67895647 TWJQLHCJNZXDIQ-UHFFFAOYSA-N 374.379 2.998 0 50 FFAA O=C(O)c1[nH]cnc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 216429012 KXAHMPQHYQJDFC-NSHDSACASA-N 359.773 2.615 0 50 FFAA CC(C)CCN1CCC(CNC(=O)c2ccc3c(c2)CCNCC3)CC1 252488061 IIIRJJINADERJP-UHFFFAOYSA-N 357.542 2.863 0 50 FFAA Cc1nc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2nc1C 170620560 GLCHTUMJCHLPTM-UHFFFAOYSA-N 352.360 2.567 0 50 FFAA Cc1cc2occ(CC(=O)N3CCC[C@@](O)(CO)CC3)c2cc1Cl 72142205 WOCORQAYXZUOJE-SFHVURJKSA-N 351.830 2.673 0 50 FFAA CN(Cc1noc(C2CCC2)n1)C(=O)CCc1nc(-c2ccccc2)no1 77407782 GXRPFYVMORODAE-UHFFFAOYSA-N 367.409 2.978 0 50 FFAA CCc1nnsc1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328623458 JEUGIBYAFJSLJF-SECBINFHSA-N 373.404 2.650 0 50 FFAA COC[C@H]1CCC[C@H]1Nc1ncnc2c1CCN(C(=O)C=C(C)C)CC2 72458739 WMBGGUAQNUBDKK-NVXWUHKLSA-N 358.486 2.597 0 50 FFAA COc1ccsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328624696 JZSVVGJEVMDTJN-XJKSGUPXSA-N 362.499 2.645 0 50 FFAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H](c1ccccc1)C1CCCC1 215489636 QCWZLPIUXKIIAZ-GOSISDBHSA-N 362.437 2.852 0 50 FFAA Cc1noc(-c2ccc(NC[C@H](c3ccccc3)N3CCOCC3)nc2)n1 363054185 OOYDMQJCQUJRSU-GOSISDBHSA-N 365.437 2.925 0 50 FFAA CCCc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)ccn1 72432038 NCODLRPJIMOLHI-UHFFFAOYSA-N 361.449 2.940 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CCO[C@@H](c4ccccc4)C3)n2)c1 72406900 WHVMMOYVWRGAHR-GOSISDBHSA-N 362.389 2.815 0 50 FFAA COc1cccc([C@@H]2CN(c3cc(OC)ncn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72146841 OPOTZGPSYGCSLN-IOMROCGXSA-N 366.465 2.560 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 218828290 IAVQCFFUFPZLBW-HZPDHXFCSA-N 364.442 2.876 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCc2ccccc2O1 333170999 PUIGPBLPKNMBDN-IBGZPJMESA-N 371.458 2.763 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(CCN2CCOCC2)C1 71758807 VFYWMFPAIUAXNG-MRXNPFEDSA-N 370.415 2.932 0 50 FFAA Cc1ncc(CC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)c(=O)[nH]1 71755328 MKWQRWBHDHMQDT-UHFFFAOYSA-N 357.797 2.851 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3snnc3C(C)C)C2)CCC1=O 77440425 ZCWUHKWSUFBHLV-SFHVURJKSA-N 366.531 2.513 0 50 FFAA N[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 237927713 DGCCYCLTRVASPM-CYBMUJFWSA-N 362.227 2.810 0 50 FFAA CN(C)C[C@@H](O)COc1ccc(Br)cc1Br 12420351 GGBVNYZQGSIRJO-SECBINFHSA-N 353.054 2.513 0 50 FFAA Cc1cc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c2cccc(C)c2n1 82087320 AHUFLEVYSFCITE-QGZVFWFLSA-N 364.449 2.979 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2ccnn2C)c(F)cc1F 239672535 BTSGLZKRJRHZGX-HNNXBMFYSA-N 355.410 2.923 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@@H](N4CCCC4)C3)n2)n1 171449898 YILPIFDECORPMW-OAHLLOKOSA-N 373.888 2.848 0 50 FFAA CC(=O)N1CCCn2nc(CNc3ncnc4sc(C)c(C)c34)cc2C1 82114643 VEKZOWIDUMAMMS-UHFFFAOYSA-N 370.482 2.869 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)C[C@H](C(=O)O)C3)c3c2CCC3)cc1 263369484 UYVGGYKLNQBJMT-GJZGRUSLSA-N 367.449 2.852 0 50 FFAA Cc1ccc(-n2nnc(C(=O)N3CCCN(C4CCCC4)CC3)c2C)cc1 172420435 PZHGEBZGZKTUOQ-UHFFFAOYSA-N 367.497 2.975 0 50 FFAA O=C([C@@H](Oc1ccccc1)c1ccccc1)N1CCN(c2cccnn2)CC1 195377386 VTBSOSKMMQOQQI-NRFANRHFSA-N 374.444 2.946 0 50 FFAA C[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(CCc2ccccn2)cc1 426478185 VWRYKJVICXTFND-HNNXBMFYSA-N 352.438 2.609 0 50 FFAA CC[C@@H](C(=O)N(C)CCc1ncon1)n1cc(C(C)=O)c2ccccc21 426551776 IARCQPZOPJZTHV-INIZCTEOSA-N 354.410 2.879 0 50 FFAA N[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C[C@H]1c1ccccc1F 333221339 AABDMUHFVFLQFK-KLQZVLMRSA-N 366.436 2.819 0 50 FFAA CC(C)c1noc([C@@H]2CCCN(C(=O)NCc3cc(C4CC4)n[nH]3)C2)n1 426727359 GOHNPCOJCCDDNN-CYBMUJFWSA-N 358.446 2.883 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccc(Cl)cc1)CC2 91997861 UFUVMCZGYNXKLE-KRWDZBQOSA-N 364.873 2.625 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ncc[nH]1 95515331 KFHHPXUVXVUCLM-SFHVURJKSA-N 370.497 2.835 0 50 FFAA Cc1ccc([C@@H](C(=O)NC2CCN(C(=O)CC(C)C)CC2)N(C)C)cc1 91625007 ISTOKDHUXMYABL-FQEVSTJZSA-N 359.514 2.751 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)Nc3ccc(F)cc31)C2 91829667 WPDUVWNZMPVNQV-OAHLLOKOSA-N 368.412 2.782 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)CCCn3ccnc3)C2)CCC1=O 91486580 RBCNBUHSUCWAQN-OAQYLSRUSA-N 374.529 2.941 0 50 FFAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCCc1c(C)n[nH]c1C 97642466 PXFRPHXBQLDGOT-UHFFFAOYSA-N 357.458 2.791 0 50 FFAA Cc1cccc(=O)n1CCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 97569037 UTHMCARKAJREDZ-IBGZPJMESA-N 371.456 2.639 0 50 FFAA Cc1nc(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)nc2c1CCCC2 95354356 AMWSHIADYPHEES-MRXNPFEDSA-N 368.481 2.785 0 50 FFAA CC1(C)SC[C@H](C(=O)NCCSCc2cccc(Cl)c2)NC1=O 97636628 JBDFFUUHCLQTGV-CYBMUJFWSA-N 372.943 2.700 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)NCc1ccn3ccnc3c1)CC2 177751646 HTTVZOXRQZQDKH-UHFFFAOYSA-N 366.421 2.619 0 50 FFAA Cc1ncc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C(C)C)c(=O)[nH]1 91474608 XWYZETZZMHVEQM-GOSISDBHSA-N 350.422 2.955 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCc3nccn3C(C)C)CC2)c1 95368509 KXVYDVVYECLWBL-UHFFFAOYSA-N 369.513 2.601 0 50 FFAA Cc1cccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 91468652 TXAYMPUBZPODKY-UHFFFAOYSA-N 350.470 2.748 0 50 FFAA CC[C@@H](NC(=O)Nc1ccc(Cc2n[nH]c(C)n2)cc1)c1ccnn1C 96148940 GSEXLMHUCBKTSM-OAHLLOKOSA-N 353.430 2.710 0 50 FFAA C[C@@H](NC(=O)C1CCN(C2CCCCC2)CC1)[C@@H](O)c1ccc(O)cc1 97532773 RXXLDAOAELXKAP-FOIQADDNSA-N 360.498 2.975 0 50 FFAA CSCC[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cccc1 253403422 HDWDTFDRUWOEOA-SOLBZPMBSA-N 371.506 2.590 0 50 FFAA biogenic CCOc1ccc([C@@H]2CCCN2C(=O)CC(=O)NCC(F)(F)F)cc1 181844124 OPZXISJZHXUCNB-AWEZNQCLSA-N 358.360 2.817 0 50 FFAA CCOc1ccc2cc(C(=O)N(CCC(=O)O)C3CCOCC3)[nH]c2c1 299750792 OKQWVPGESCJWBV-UHFFFAOYSA-N 360.410 2.663 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCN(C(C)C)[C@H](CCO)C2)CC1 38149262 CKGGQKOOZIRPIP-HXUWFJFHSA-N 363.521 2.880 0 50 FFAA Cc1nc2ccccn2c1CN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 299777592 KGOFGXOTCATRAC-CQSZACIVSA-N 367.405 2.797 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cnc3c(c2)CCC3)c1C 299798291 XMBCBPWBNXIGDV-GFCCVEGCSA-N 354.454 2.854 0 50 FFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1(c2cc(F)cc(F)c2)CC1 584887992 JSPQJVBHNAYNJG-QGZVFWFLSA-N 367.440 2.706 0 50 FFAA COc1cc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)ccn1 952988838 SRWORPZXMAVUKD-UHFFFAOYSA-N 353.382 2.525 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3ncnc4ccsc34)C2)N1Cc1cscn1 1565515761 SVCRAJUVYLDHLK-YPMHNXCESA-N 371.491 2.775 0 50 FFAA CC(C)c1noc([C@H](NC(=O)c2cc(C(C)C)[nH]n2)C2CCOCC2)n1 275417348 BWDRXAPCTMTZFS-OAHLLOKOSA-N 361.446 2.937 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)[nH]n1 275689678 MSTLVBNVOWACQO-HNNXBMFYSA-N 359.499 2.555 0 50 FFAA Cc1csc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCO4)cnc12 195253858 WLTQIXZONICECJ-UHFFFAOYSA-N 357.391 2.524 0 50 FFAA O=C(Nc1ccc(I)cn1)c1cccc2nccn12 776958714 GEKWDTHMXKQWBB-UHFFFAOYSA-N 364.146 2.586 0 50 FFAA Cc1nn2c(NC(=O)c3cc4c(s3)CC[C@H](C)C4)csc2nc1=O 1506397789 XUCWAWLWLFFPGJ-QMMMGPOBSA-N 360.464 2.898 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506424290 KHXMLDNMLWVYJX-IBGZPJMESA-N 370.416 2.983 0 50 FFAA Clc1cccc(-n2cc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)cn2)c1 1529099453 XUCIOOMDKKMLQS-WOJBJXKFSA-N 372.900 2.821 0 50 FFAA CCOCc1nc(COc2ccc(OCC)cc2)nn1-c1cnn(C)c1 1772807621 PWHDARNWPAFXAX-UHFFFAOYSA-N 357.414 2.515 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)NCc1ccccc1Cl 5388132 WUBCOBFKYUYDNV-UHFFFAOYSA-N 359.838 2.942 0 50 FFAA Cc1cccc(CN2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 12308805 ICMDQUTVTYLKSM-IBGZPJMESA-N 373.522 2.722 0 50 FFAA CCCc1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12594975 JQYAVMHKZQDDMD-OAHLLOKOSA-N 373.428 2.821 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 19553137 XUYLTBRYTGSGIP-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cnc(N(C)C)s2)C[C@@H]1CCO 19642322 PUBFZYXYVKXRJM-SFHVURJKSA-N 374.554 2.586 0 50 FFAA CN(CC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2)C1CCCC1 1857670259 DNUPQCYOTSZFBJ-VWPQPMDRSA-N 356.510 2.846 0 50 FFAA CC[C@@]1(C(=O)NCCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)C1(C)COC1 1857674665 SCBXDWDBJZQQHF-NJNPRVFISA-N 370.493 2.542 0 50 FFAA Cn1cccc1C(=O)N[C@H]1CCC[C@@H](NC(=O)Cc2ccccc2F)C1 1857686246 NEAZJNRDNBBOIV-CVEARBPZSA-N 357.429 2.564 0 50 FFAA COc1ccc(-c2nccn2Cc2cnc3cnccn23)c(OC)c1OC 1857717611 PZVQGNQLSZPHJS-UHFFFAOYSA-N 365.393 2.667 0 50 FFAA O=C1CCO[C@H]2CN(c3ccc(Cl)cn3)C[C@@H]2N1Cc1ccccc1 1857728495 DHSSLRXAAXHFTG-IRXDYDNUSA-N 357.841 2.741 0 50 FFAA O=C(CCOC1CCOCC1)N1CC[C@H](Oc2ccccc2Cl)C1 120420446 HMTGDCJBAZZPCB-HNNXBMFYSA-N 353.846 2.905 0 50 FFAA C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 121542763 XHXNBAYGGFBGNA-CQSZACIVSA-N 354.454 2.751 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2cnn3ccccc23)[C@@H]1c1cnn(C)c1 328656280 ZFOOCGUCFYGMCE-LAUBAEHRSA-N 366.513 2.973 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)cc1 328630978 JZQDJQUQMVVSNR-GOSISDBHSA-N 364.511 2.804 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 237947449 LYBIBKRTIZCOSQ-LLVKDONJSA-N 356.216 2.541 0 50 FFAA Cc1nnc([C@H]2CCCN2S(=O)(=O)c2cnc3ccc(F)cc3c2)o1 1875297943 JBNAMHXHYMZJET-OAHLLOKOSA-N 362.386 2.591 0 50 FFAA CCn1nc2c(c1C(=O)NCc1c(C)nc3ccccn13)C[C@H](C)O[C@@H]2C 1875314479 YUDWZNXILGEJKP-GXTWGEPZSA-N 367.453 2.811 0 50 FFAA COc1ccc(C2=NN(C(=O)[C@@H]3C[C@@H]3C(=O)O)[C@@H](c3ccco3)C2)cc1 1875388469 CBCXGGWRAKQZPC-IJEWVQPXSA-N 354.362 2.687 0 50 FFAA Cc1ccc2c(N3CCC[C@H](c4n[nH]cc4C(=O)N(C)C)C3)ccnc2n1 1875390933 GKZVPYPYEWYJFY-AWEZNQCLSA-N 364.453 2.747 0 50 FFAA C[C@H]1CC[C@@H](C(=O)N2CC3(CN(C(=O)c4nc(C5CC5)cs4)C3)C2)C1 1875406249 AFZMZVHYJSLQFA-GXTWGEPZSA-N 359.495 2.741 0 50 FFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](c1nccn1C)C1CC1 888100868 IOSLFSBJIDKXNI-KSSFIOAISA-N 353.470 2.921 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ncc(Br)s1 333521041 KQRGSIJBXIMONX-LDDIKCJXSA-N 353.241 2.603 0 50 FFAA CCCCCCOc1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 2192322 QSZVELVPZWZJFZ-YOEHRIQHSA-N 351.468 2.796 0 50 FFAA COC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)C1 2325739105 DCNFMUVHTXSCTP-JKSUJKDBSA-N 369.465 2.973 0 50 FFAA Brc1ccn2c(CN3CCNC[C@@H]3c3cccnc3)cnc2c1 2325777736 ZJHAJAQAVIYFKT-MRXNPFEDSA-N 372.270 2.638 0 50 FFAA CC1(C)C[C@@H](CC(N)=O)N(c2nc3cc(Br)cnc3s2)C1 2325790724 FVZJIXUSSSVITN-SECBINFHSA-N 369.288 2.934 0 50 FFAA Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@@H](C(F)(F)F)CO2)c1 2325813425 MSRKZVXHZSNVDC-HZPDHXFCSA-N 367.371 2.823 0 50 FFAA COc1cccc([C@@H]2CNCCN2C(=O)c2cc3cc(Cl)ccn3n2)c1 2325859308 UUAYAOMSBLYNKP-SFHVURJKSA-N 370.840 2.783 0 50 FFAA CC(=O)c1nnn(-c2ccnc(-c3ccc(Br)cc3)n2)c1C 754908 YMUXXCXZCBGLDU-UHFFFAOYSA-N 358.199 2.998 0 50 FFAA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCc2ccccc21 811676 DMGANISPKUYZNG-UHFFFAOYSA-N 365.458 2.926 0 50 FFAA COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)cc1 4539553 YUGQZCYSHWXVRN-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc12 8709881 CEJAJLATSYJPNA-LBPRGKRZSA-N 359.474 2.783 0 50 FFAA Cc1ncsc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 115157102 CUVAJSKCMRNYEU-QGZVFWFLSA-N 359.495 2.627 0 50 FFAA CCCN(Cc1cccnc1)C(=O)c1ccc(OC)c(N2CCOCC2)c1 55120219 VTOTWRPCUIAWGY-UHFFFAOYSA-N 369.465 2.979 0 50 FFAA Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 21795041 DITNJOGEZNTENI-UHFFFAOYSA-N 368.485 2.822 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 26609286 NPIQXZMKSXGWJX-UHFFFAOYSA-N 360.435 2.999 0 50 FFAA O=C(OCCc1n[nH]c(CCOC(=O)c2ccccc2)n1)c1ccccc1 22203928 CAHBMECHEXBNOR-UHFFFAOYSA-N 365.389 2.604 0 50 FFAA O=C(c1c(O)cccc1F)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 119615844 KGNGNAMNMDLIAJ-CYBMUJFWSA-N 358.417 2.869 0 50 FFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccnn1C[C@H]1CCOC1 249454162 PCJXCTZKSOQQCY-JKSUJKDBSA-N 369.469 2.792 0 50 FFAA C[C@H](COC1CCCC1)CS(=O)(=O)N1CCOC[C@@H](C2CCC2)C1 328780950 UQIVSYVMACQOPA-WBVHZDCISA-N 359.532 2.660 0 50 FFAA Cn1ccn2ncc(C(=O)NCc3cccnc3Oc3ccccc3F)c12 67819840 YPUHBILHXZSZGF-UHFFFAOYSA-N 365.368 2.929 0 50 FFAA Cn1c([C@H]2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)nc2ccccc21 68004149 GBSXNDDCOGKJBC-OAHLLOKOSA-N 356.813 2.892 0 50 FFAA CC[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)C(F)(F)F 331028917 XGOSXOKDSWJEPR-XPUUQOCRSA-N 351.799 2.690 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1ccco1 11879888 WZEGVGBZQTXXBA-MRXNPFEDSA-N 356.422 2.693 0 50 FFAA CCc1cc(CN(C)Cc2ccc(C(=O)Nc3nccn3C)cc2)on1 65497408 PDAMUVAXBOXPBI-UHFFFAOYSA-N 353.426 2.855 0 50 FFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(C(=O)O)nc1 237171376 YEVYWZAEFHVTDA-UHFFFAOYSA-N 354.284 2.951 0 50 FFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCCC[C@@H]1c1cccnc1 12315102 XPJFLMDLOBJMSS-LJQANCHMSA-N 368.485 2.526 0 50 FFAA CN1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC1 12709700 KPEYSEUBALKQPK-UHFFFAOYSA-N 365.437 2.853 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cn2ccnc2)o1 72479165 JSHAVTXVQLMPSV-UHFFFAOYSA-N 363.377 2.847 0 50 FFAA CCN(C)C(=O)[C@H](C)NC(=O)NCCc1ccc(-c2csc(C)n2)cc1 252485773 HDNYOWKNSGIGDK-ZDUSSCGKSA-N 374.510 2.827 0 50 FFAA CC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72164241 PKFNQSNZLKYEQO-HXUWFJFHSA-N 367.493 2.693 0 50 FFAA COCc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 242273639 YEOYRJTYVVMOPC-SFHVURJKSA-N 374.462 2.625 0 50 FFAA O=C(NCC1(N2CCCCC2)CCOCC1)c1cccc(-n2cccn2)c1 363224996 GDQVUDIPJXOXFD-UHFFFAOYSA-N 368.481 2.637 0 50 FFAA Cc1cc(C(F)(F)F)nc(NC2CCN(C(=O)c3ccncc3)CC2)n1 363779277 SJKVYPNZBKKONX-UHFFFAOYSA-N 365.359 2.916 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCO2)no1 366140327 KWFPFJBOSPUPHY-ARFHVFGLSA-N 374.416 2.971 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCn2cncn2)CCCN1Cc1ccc(F)cc1 72162681 OHMKQWHZSXRFKW-IBGZPJMESA-N 373.476 2.566 0 50 FFAA Cc1nc([C@H]2COCCN2C(=O)Nc2ccccc2N2CCCCC2)no1 378534618 OZSXZIHNFZVSSR-QGZVFWFLSA-N 371.441 2.974 0 50 FFAA C[C@](CNC(=O)c1cccc([C@H]2CCOC2)c1)(C(=O)O)c1ccccc1 263303820 DTZVROCBANKHOD-LAUBAEHRSA-N 353.418 2.963 0 50 FFAA O=C1C[C@H](Cc2ccc(N3CCSCC3)nn2)CN1c1ccccc1 223158865 LXRUEBXBLBKINJ-HNNXBMFYSA-N 354.479 2.625 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H](C(=O)O)C1 17073966 KYZBFBFWBZDZAH-MSOLQXFVSA-N 358.438 2.909 0 50 FFAA Cn1cc(Cl)cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 177258146 DHGWBAJEPVURSV-UHFFFAOYSA-N 361.829 2.840 0 50 FFAA Cc1nc2ccccn2c1C(=O)NCCc1nc(Cc2ccccc2)no1 220514988 CGSJUUKIXYAOMG-UHFFFAOYSA-N 361.405 2.589 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)on1 426574715 KZXABNIIBKXLEC-CQSZACIVSA-N 369.425 2.851 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc23)C1 179003003 BQBIDKIOWNJPLV-LBPRGKRZSA-N 362.271 2.987 0 50 FFAA Cc1ccc(NC(=O)NCc2ccn3ccnc3c2)cc1N1CCOC1=O 178217672 DQLMAJGOYNLISM-UHFFFAOYSA-N 365.393 2.921 0 50 FFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426519223 IQFFFTLCFLSMEC-HNJRGHQBSA-N 355.409 2.697 0 50 FFAA CN1CCN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)C[C@H]1CO 97402354 GNWSSQMOEASKRP-HNNXBMFYSA-N 359.401 2.758 0 50 FFAA CCc1noc(CN(CC)C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)n1 426722450 PDMDUGSSOLURBZ-UHFFFAOYSA-N 356.430 2.857 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C(N)=O)cn2)cc1 426707452 QCUGFWKSBRKXMU-SFHVURJKSA-N 367.449 2.879 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)c1cnn2c(C)cc(C)nc12 97569001 CRXSCOLHMDHAIO-UHFFFAOYSA-N 368.437 2.896 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)CC2=O)c1 426589769 LYWOXOYSBZMMSS-AWEZNQCLSA-N 369.469 2.763 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)COc2ccc(F)c(Cl)c2)on1 96153512 VLWNYQLYWORUNO-BZNIZROVSA-N 368.792 2.528 0 50 FFAA Cn1ccc2ccc(CN3C[C@@H]4CN(C5CCCC5)C[C@]4(C(=O)O)C3)cc21 96136245 DBHUUMIIRXNDJW-XMSQKQJNSA-N 367.493 2.939 0 50 FFAA COc1ccc2c(C)c(C(=O)NCC3(CN4CCN(C)CC4)CC3)oc2c1 91289484 IEXUUMXOLUMSRA-UHFFFAOYSA-N 371.481 2.507 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)c2c[nH]c(=O)cc2O)C1 91381103 YOKLWEAPJNJCGN-ZDUSSCGKSA-N 370.453 2.612 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 95360075 GFAYKHQZDBQDHD-CQSZACIVSA-N 362.424 2.743 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCCC[C@@H]1CO 92078241 BWKOKOCSPCKUDK-QGZVFWFLSA-N 357.498 2.599 0 50 FFAA C[C@H](NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)C1=CCCCC1 96162442 WUOQGNFZMVQDNX-ZDUSSCGKSA-N 366.487 2.915 0 50 FFAA CCc1n[nH]c(-c2cccc(NC(=O)NCc3nc(CSC)no3)c2)n1 96161639 UQCQCLZYFWERLE-UHFFFAOYSA-N 373.442 2.602 0 50 FFAA Cc1ccc2c(c1)cc(CN1CCC3(CCC(=O)N(CCO)C3)CC1)n2C 91586148 QZIDILPXYHPVSW-UHFFFAOYSA-N 369.509 2.684 0 50 FFAA Cc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)[nH]c2c(F)cccc12 91808942 QFPWSBWWXKCTKG-HZPDHXFCSA-N 373.472 2.782 0 50 FFAA Cc1sccc1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 295281047 FUXQPYNGOSYQDU-GFCCVEGCSA-N 370.521 2.701 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 95355655 QOKSBXHLSXYFNS-IBGZPJMESA-N 369.513 2.924 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)cnn1C 91460645 PVJBRINLQBCXAP-HXUWFJFHSA-N 366.509 2.957 0 50 FFAA CC[C@@H](NC(=O)c1cn2ccsc2n1)c1ccc(S(C)(=O)=O)cc1 97492375 MASRZHPHNGQDTK-CYBMUJFWSA-N 363.464 2.680 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 91807222 PMQBHQNGESLFMD-LBPRGKRZSA-N 355.364 2.722 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)[C@H](c1cccnc1)N1CCCC1)nn2C 95376433 WGEISDBNTBZCTC-FQEVSTJZSA-N 363.465 2.730 0 50 FFAA COCC(=O)N1CCC(C(=O)N(C)Cc2cc3ccccc3s2)CC1 95360517 ANIXWRKNMWFSDR-UHFFFAOYSA-N 360.479 2.745 0 50 FFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCC[C@@H](C(N)=O)C1 95519700 LARCPQDSCWYKHL-CYBMUJFWSA-N 373.482 2.907 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccncc1)CC2 91551948 POWGJEZLPNFAIV-UHFFFAOYSA-N 353.470 2.594 0 50 FFAA O=C(COC[C@@H]1CCCO1)NCc1cc(-c2cccc(Cl)c2)no1 244691954 JLVOWTWSKMXRDR-AWEZNQCLSA-N 350.802 2.807 0 50 FFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 183213486 RWOGDGCCUVAKAP-INIZCTEOSA-N 369.868 2.679 0 50 FFAA Cc1ccccc1CN1CCC(NC(=O)c2cnccc2N(C)C)CC1 183412253 TZRQHKYJBSNLKY-UHFFFAOYSA-N 352.482 2.850 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(C2CC2)[nH]c(=O)c1 184208029 VTULWSWBEARPBE-UHFFFAOYSA-N 352.369 2.507 0 50 FFAA NC(=O)c1cc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)ccc1F 534671784 SVZZNOBSEGZPRO-ROUUACIJSA-N 356.397 2.625 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 299754348 BZQIXJMPVGVZMR-WBVHZDCISA-N 360.454 2.517 0 50 FFAA biogenic CO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(CNC(C)=O)cn3)c2)C1 299774012 DPAPHVCHNYJPMC-IBGZPJMESA-N 367.449 2.636 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)NC[C@@H]1CNCCO1 299765777 AOYPBUTZOLFKDE-AWEZNQCLSA-N 357.410 2.597 0 50 FFAA CC[C@@H]1CN(C(=O)c2cccc(-c3cncc(C(C)(C)O)c3)c2)CCN1 299798673 QXGOOJDNLWMHOO-LJQANCHMSA-N 353.466 2.800 0 50 FFAA O=C1C[C@H](C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)C2(CCCC2)O1 299792025 DECQJRVDOKKKDY-OAHLLOKOSA-N 357.385 2.708 0 50 FFAA CCCCN1CCn2nc(CNC(=O)NCCc3ccccc3)cc2C1 299772874 APMDUBRXQCUTJG-UHFFFAOYSA-N 355.486 2.541 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCC4(CCO4)CC3)cc2)c(Cl)c(=O)[nH]1 584893467 ZBRINGXILXWWOE-UHFFFAOYSA-N 373.840 2.794 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cnc2sccn12 1875336992 MUXBWBNKMOOVET-NSHDSACASA-N 362.405 2.930 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(C(=O)Nc3ccccc3)cc2)cn1 1875384840 JFOYAJZJIXDODO-DFBJGRDBSA-N 362.433 2.936 0 50 FFAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCc1ncnn1C(C)(C)C 1875396205 YOGFTTALIVCIMW-JNAXZKDPSA-N 370.501 2.795 0 50 FFAA CC1CC(C(=O)N[C@]2(C)CCCN(C(=O)c3nc(Cl)cs3)C2)C1 1875407424 ZPDCITOFSMEFOS-CLIRUNRCSA-N 355.891 2.954 0 50 FFAA CNc1cncc(C(=O)N2C[C@H](NC(=O)C3(C)CCC3)CC(C)(C)C2)c1 1875407343 XNLVNTVEYITPDI-MRXNPFEDSA-N 358.486 2.670 0 50 FFAA CC(C)[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@@H]1N(C)C 1565515737 UGZAOGGWWCXCAR-CVEARBPZSA-N 354.878 2.821 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H]([C@@H](C)N)C3)n2)n1 269274732 OBVZETXGPSJFEH-ZIAGYGMSSA-N 361.877 2.737 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2NCc2nc3cc(Cl)ccc3n2C)cnn1C 886068747 NQHLAQOXQBHLDB-KBXCAEBGSA-N 359.861 2.888 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCc2nc3ccccc3n2C)C1 888102905 UFOJUBKEVBYNIQ-QAPCUYQASA-N 353.470 2.918 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)[nH]1 275570171 OJIDANVOBSJCOD-SFHVURJKSA-N 355.486 2.666 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 188934990 FNUOWYLNHNIJCA-MRXNPFEDSA-N 368.264 2.988 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc4ccccc4n3C(C)C)C[C@H]2O)n[nH]1 1529167433 JEDISJAHDILFSZ-DNVCBOLYSA-N 353.470 2.684 0 50 FFAA COc1cc(F)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1OC 1529153651 SZILGARCPMZOKI-WOJBJXKFSA-N 361.413 2.777 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(CO)cc3)CC1)OCC2 1704339351 RJMOPZKRXWGEPA-UHFFFAOYSA-N 367.445 2.892 0 50 FFAA CSc1nccc(N2CCCN(C(=O)Cc3ccccc3C)CC2)n1 1772818111 MGULRXMJNWIWOR-UHFFFAOYSA-N 356.495 2.788 0 50 FFAA CCOc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)CN3Cc2nccs2)cc1 1775978059 AUHKVEACYBTNQE-WMZOPIPTSA-N 371.506 2.817 0 50 FFAA O=C(NCc1cnc2c(c1)CNCC2)c1c(Cl)ccc2ncccc12 1775980537 YYEDQNGMULBBBJ-UHFFFAOYSA-N 352.825 2.859 0 50 FFAA CCCCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2ccco2)c1=O 12326637 LXZXXQNOERTPKR-CQSZACIVSA-N 373.453 2.872 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1ccnn1C 12387317 BOEWAMJSVAKAEO-AWEZNQCLSA-N 356.474 2.780 0 50 FFAA O=C(Cn1cccn1)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1 19745672 MTQGWMZTNZKVRB-OAQYLSRUSA-N 366.509 2.686 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)c2ccc(F)cc2n1 1857734244 GJMCEXLJAJUPKG-GQIGUUNPSA-N 371.456 2.910 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@]34CC[C@H]2O4)CCCCC1 1857739933 ZVKSHNUHIFDAPC-KCXPTXFHSA-N 374.525 2.879 0 50 FFAA CCCC[C@H](CN)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 236748502 WVOREBSZEWBELE-SECBINFHSA-N 355.287 2.798 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(Br)cc1 238129239 WZSWPTNEPDCJCV-CHWSQXEVSA-N 356.216 2.650 0 50 FFAA COCCN(C)c1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cn1 252489392 JPZNJMOMFFDOSK-OAHLLOKOSA-N 357.454 2.786 0 50 FFAA CCCc1cc(N2CCO[C@H](c3cccc(OC)c3)C2)n2ncnc2n1 154211724 SXMXLOHAHDDCTM-KRWDZBQOSA-N 353.426 2.663 0 50 FFAA C[C@@H](C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CCOCC1 160233349 JQGKEJXTXLJQQY-CYBMUJFWSA-N 359.426 2.666 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)n1 265442650 QIERZRWOTOXOGE-SNVBAGLBSA-N 358.324 2.548 0 50 FFAA O=C(N(c1cccc(C(F)(F)F)c1)[C@H]1C=CS(=O)(=O)C1)C(F)(F)F 1295420 YQOKGWOLOTUGMV-JTQLQIEISA-N 373.274 2.911 0 50 FFAA COc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1Br 6715870 OPVNJEFDFWHAJQ-UHFFFAOYSA-N 371.256 2.640 0 50 FFAA C[C@@H](NC(=O)c1cccnc1S)c1cc(F)ccc1N1CCOCC1 2325713841 MLGGWIVLSDYCNO-GFCCVEGCSA-N 361.442 2.837 0 50 FFAA Cc1cc(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)n2ncc(C)c2n1 2325775407 CHWSMHJRBIZYDZ-LBPRGKRZSA-N 358.467 2.965 0 50 FFAA COc1ccc2cc(C(=O)N3CCCN[C@H](c4ccccc4)C3)[nH]c2n1 2325783189 BDZOPYPEOOXROX-KRWDZBQOSA-N 350.422 2.748 0 50 FFAA COC1(CN(C)C(=O)C(=O)Nc2cccc(CCC(=O)C(C)C)c2)CCC1 2325799583 JQFOOJDIJKMLNC-UHFFFAOYSA-N 374.481 2.810 0 50 FFAA O=S(=O)(NCCn1c2ccccc2c2ccccc21)c1cncnc1 2325814359 IPHBQKDCXKKYLL-UHFFFAOYSA-N 352.419 2.563 0 50 FFAA COC(=O)[C@H]1Cc2ccc(Cl)cc2CN1C(=O)[C@H]1CC12CCOCC2 2325822974 ABAPNUPIONRFOA-HZPDHXFCSA-N 363.841 2.583 0 50 FFAA Cc1ccoc1-c1nc([C@@H](O)Cn2cncn2)n([C@@H]2CCC(C)(C)C2)n1 2325876146 LOULBQCRIMZGNL-KGLIPLIRSA-N 356.430 2.923 0 50 FFAA COc1ccc(C)cc1N1C(=O)C[C@@H](N2CCc3ccccc3C2)C1=O 4700870 PHQACGRVUZNRPU-GOSISDBHSA-N 350.418 2.694 0 50 FFAA COc1ccc(Cl)cc1NC(=O)c1ccccc1NS(C)(=O)=O 4756875 CPOZCNRUDHCISV-UHFFFAOYSA-N 354.815 2.972 0 50 FFAA COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)cc3)n2)cc1 4840150 HDAVIZCAEDUJCB-UHFFFAOYSA-N 359.407 2.532 0 50 FFAA O=C(COc1ccccc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 4866213 FGJSDEGHWMMUKI-MRXNPFEDSA-N 354.406 2.613 0 50 FFAA CN1CCN(Cc2nc(-c3ccccc3)cs2)C[C@@]12CCNC(=O)CC2 107414822 DHWGDIYPHVSALS-HXUWFJFHSA-N 370.522 2.596 0 50 FFAA O=C(C[C@H]1C(=O)Oc2ccccc2N1C(=O)C1CC1)Nc1ccccc1 9575695 FEHBXYJWMURTHA-INIZCTEOSA-N 350.374 2.746 0 50 FFAA COc1cccc2c1OC[C@H](NS(=O)(=O)c1cc(C)sc1C)C2 102935103 DSMKKJQBRAGECH-CYBMUJFWSA-N 353.465 2.656 0 50 FFAA O=C1NCCN(C(=O)c2ccc(-n3cccc3)cc2)[C@H]1Cc1ccccc1 20598230 JYOIPLRIORUTKI-FQEVSTJZSA-N 359.429 2.661 0 50 FFAA O=C([C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)N1CCC2(CC1)Nc1ccccc1NC2=O 102795760 SBPSAJWHANBMJC-NOAKMGFQSA-N 351.450 2.704 0 50 FFAA COc1ccc2cc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cnc2c1 170625141 HKEDDXBPPPGJHL-OAHLLOKOSA-N 363.421 2.889 0 50 FFAA Cc1nc(N2CCc3[nH]nc(Cc4ccccc4)c3C2)cc(-n2cccn2)n1 23379857 VDYVAZZETCMYRI-UHFFFAOYSA-N 371.448 2.847 0 50 FFAA O=C(CCC1CCCCC1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 67621856 ZRZHCAYOTQIJSX-UHFFFAOYSA-N 368.485 2.671 0 50 FFAA Cc1ccnc([C@@H](NC(=O)c2ccc(Cn3nnnc3C)cc2)C2CC2)c1 65526537 UCHNAJUXFVYUJQ-IBGZPJMESA-N 362.437 2.614 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC(O)CC3)nc2)C1 67789543 ALSWHROPFLUUIW-QGZVFWFLSA-N 373.497 2.510 0 50 FFAA CC[C@H](CO)NC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67489856 HIXOEJLXMTVNSC-LLVKDONJSA-N 361.423 2.672 0 50 FFAA Cc1noc(C2CCN(C(=O)NCCc3cc4ccccc4[nH]3)CC2)n1 136645142 ALONMYAABOCTCC-UHFFFAOYSA-N 353.426 2.991 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCC(C)(C)CN(C)C)nc2)C1 67954865 PGJMZIVIHVYWOH-MRXNPFEDSA-N 362.518 2.580 0 50 FFAA Clc1cc(Br)ccc1OCCOCCN1CCOCC1 20117972 CDNYXPCEFPPPAW-UHFFFAOYSA-N 364.667 2.830 0 50 FFAA Cc1nc2sccn2c1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 65398269 WBNBIUUHCZGYRS-OAHLLOKOSA-N 356.451 2.921 0 50 FFAA COCc1cc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)ncn1 67714795 RZYAZKHOXBVYFU-UHFFFAOYSA-N 364.405 2.790 0 50 FFAA O=C([C@H]1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2ncc[nH]2)CC1 72480098 APDWXSMMRMAXMZ-AWEZNQCLSA-N 372.856 2.822 0 50 FFAA CC[C@@H]1CN(Cc2nccc(C)n2)[C@H](CC)CN1Cc1nccc(C)n1 332184364 OFRNCWBSTLSCDW-QZTJIDSGSA-N 354.502 2.758 0 50 FFAA O=S(=O)(CCc1cccs1)NCc1ccc(Cn2ccnc2)cc1 252490023 KHOJUJODPLVROX-UHFFFAOYSA-N 361.492 2.655 0 50 FFAA CC(=O)NCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12725549 WDOVTEPLVMFTRQ-GOSISDBHSA-N 368.481 2.800 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 332965357 RTRKWCSGYQYNQZ-LSVZVQIISA-N 365.420 2.627 0 50 FFAA CN(C)c1ccccc1N(C)C(=O)CCN1C(=O)COc2ccccc21 128473238 UMJYRWAJSNGWQJ-UHFFFAOYSA-N 353.422 2.531 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)Cc2ccccc2)n1 72437882 CMOSULSKKRYTSX-UHFFFAOYSA-N 353.470 2.546 0 50 FFAA Cn1c([C@H]2COCCO2)nnc1N1C[C@H](c2ccccc2)C2(CCC2)C1 333949789 XOPOTDXYCBZMTM-IAGOWNOFSA-N 354.454 2.677 0 50 FFAA CCN1C[C@]2(CCCN(c3nc4ccccc4cc3CO)C2)CCC1=O 72436350 OXYNHIRZYWHMMP-NRFANRHFSA-N 353.466 2.956 0 50 FFAA C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 151987281 BGHWZBWHMFRZOA-DOTOQJQBSA-N 373.497 2.804 0 50 FFAA O=C(Cc1ccsc1)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 238037887 LGPUWXDHRUZHGI-UHFFFAOYSA-N 372.446 2.866 0 50 FFAA CCCN(CCC)Cc1ccc(C(=O)N2CCc3c(nc[nH]c3=O)C2)cc1 71764344 XBCFTCMAHHHKPY-UHFFFAOYSA-N 368.481 2.590 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 238021665 GFSLSLIVINFQFP-GJZGRUSLSA-N 361.344 2.848 0 50 FFAA Cc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c2c(c1)[C@@H](C)CCN2 253432090 ZSLILLPSMIKYSO-KKUMJFAQSA-N 360.454 2.707 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 240551561 GUQUKBLEFGYSBI-DVOMOZLQSA-N 350.484 2.563 0 50 FFAA OC[C@@H]1CCCN1c1ccc(-c2nc(COc3ccccc3)no2)cn1 39380368 IVNPFNUYFKBXIE-HNNXBMFYSA-N 352.394 2.672 0 50 FFAA C[C@H]1CN(CCO)CCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 457138012 WBRUQQMFICADLQ-LBPRGKRZSA-N 365.886 2.602 0 50 FFAA Cc1ccnc(CNC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1 458846492 MPWGVFLOXKZTGB-UHFFFAOYSA-N 372.856 2.597 0 50 FFAA CCOc1ncccc1NC(=O)C(=O)N1C[C@H](c2cccs2)C[C@H]1C 371763959 CTYJDWXYYODPFJ-CHWSQXEVSA-N 359.451 2.885 0 50 FFAA Cc1cc(=O)nc(SCC(=O)N2CCC[C@@H](c3ccccc3)CC2)[nH]1 215757364 DRRSWSFLBONBGZ-MRXNPFEDSA-N 357.479 2.967 0 50 FFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn2)nc1 72434312 LFXKZFYNMIUAEM-UHFFFAOYSA-N 366.469 2.762 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2cccc(OCc3cccs3)c2)CCO1 262436947 LZQWHZBOHDTZCB-HNNXBMFYSA-N 361.419 2.643 0 50 FFAA Cc1cc(C2CCC2)nc(NCC[C@H]2CCCCN2S(C)(=O)=O)n1 71752560 OQHGHAQFTOUXDB-OAHLLOKOSA-N 352.504 2.669 0 50 FFAA COCc1nc(C)c(CNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)s1 215534957 BPRQJHWKPNKEBA-UHFFFAOYSA-N 364.858 2.987 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)c1ncnc2c1CCNCC2 72435910 GENCEEXVRSPLCG-UHFFFAOYSA-N 357.508 2.986 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 77303293 DYLHIDIRUAUITM-KRWDZBQOSA-N 366.465 2.963 0 50 FFAA COCCOCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77425255 HIDNCDPSGYMLAL-OAHLLOKOSA-N 361.417 2.585 0 50 FFAA CCN(Cc1ccccn1)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 176753120 HZKGSCAKVJBMFR-UHFFFAOYSA-N 359.451 2.567 0 50 FFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)C2 426478635 AOLLWADXLYWVNO-ZGXWSNOMSA-N 357.498 2.717 0 50 FFAA O=C(CN1CCCCCCC1=O)Nc1ccccc1N1CCC(CO)CC1 179570298 HEBPKCKMOADASF-UHFFFAOYSA-N 373.497 2.627 0 50 FFAA COc1cccc(C)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82091386 VXXMQNPNDWZRGO-UHFFFAOYSA-N 370.497 2.992 0 50 FFAA O=C(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)N1CCC[C@H]1CO 426465190 MFHGAKPQSYHGJX-NRFANRHFSA-N 366.461 2.787 0 50 FFAA O=C(NCCc1ccc(O)cc1)N1CCC([C@H](O)Cc2ccccc2)CC1 426697602 WGGHFUSGONHMCX-OAQYLSRUSA-N 368.477 2.960 0 50 FFAA CCn1nc(C)c(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1C 426529258 JGWCBEZZQGSUGH-SFHVURJKSA-N 371.485 2.806 0 50 FFAA Cc1nn(-c2nn[nH]n2)c(C)c1-c1ccccc1C(=O)N(C(C)C)C(C)C 426382619 HOBXLFICDUCSCT-UHFFFAOYSA-N 367.457 2.928 0 50 FFAA Cc1nc(CCNC(=O)N2CCO[C@H](c3ccccc3)C2)nc2c1CCC2 426434096 MFXBNKQQKAMJKJ-IBGZPJMESA-N 366.465 2.599 0 50 FFAA COCCN1C[C@H](c2ncnn2-c2ccc(Cl)cc2Cl)CC1=O 95386490 XSNFYVSPZBLGIU-SNVBAGLBSA-N 355.225 2.536 0 50 FFAA COc1cc(OC)cc([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95379803 PEXYBDHCHKLFKB-IBGZPJMESA-N 371.433 2.813 0 50 FFAA COc1ccccc1OC1CN(C(=O)c2cc(O)c3ccccc3n2)C1 95363381 AYNQNHSALAZQIB-UHFFFAOYSA-N 350.374 2.852 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 92046233 JFUCCQMPXBTNLV-UHFFFAOYSA-N 368.481 2.759 0 50 FFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 239274611 ALIZQELSMNFNPZ-BSXFFOKHSA-N 365.788 2.719 0 50 FFAA OCc1csc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 92004306 ARCDGWIQVSARGB-OAHLLOKOSA-N 355.467 2.659 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)oc2c1 92028172 VWHQLGQTGSBGQN-MRXNPFEDSA-N 369.421 2.878 0 50 FFAA COCCN1C[C@H](NC(=O)Nc2ccccc2Cc2ccccc2)CC1=O 97675558 OZTTXGPDBDRALL-GOSISDBHSA-N 367.449 2.646 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(Cc3nccs3)CC2)CC1=O 91915062 ATHDXGLPEOKFTQ-UHFFFAOYSA-N 360.483 2.763 0 50 FFAA COC[C@@H]1CN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CCO1 295099863 XEMSWIOUQWHAFZ-ZDUSSCGKSA-N 369.393 2.652 0 50 FFAA CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1csc(C)n1 96132077 FRJOQGIFGHHPES-UHFFFAOYSA-N 352.481 2.696 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc(Cl)c(F)c1)CC2 91736832 JNCTVLREECDMMF-UHFFFAOYSA-N 368.836 2.768 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 95385185 KBVKFDXZHLZALI-GOSISDBHSA-N 368.477 2.915 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1cc(Cl)cc(Cl)c1 239377922 OEGVZAKOXURUOV-MCIONIFRSA-N 356.253 2.721 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccco2)CC1 95377963 XUYLVGIQWGQCFK-HNNXBMFYSA-N 358.442 2.535 0 50 FFAA COc1cc(CN2CCCN(Cc3ccccn3)CC2)cc2c1OCO2 97360072 FURJPOQDMWXBPT-UHFFFAOYSA-N 355.438 2.527 0 50 FFAA O=C(N[C@@H](C(=O)O)c1cccc(O)c1)C1CCN(C2CCCCC2)CC1 95517378 LOFQJRGABBNQQI-GOSISDBHSA-N 360.454 2.679 0 50 FFAA CNC(=O)[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)o1)c1ccccc1 244873467 WQXDWZFVFGVGMI-IBGZPJMESA-N 369.465 2.729 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2cc(C3CCCCC3)no2)C1 252488520 IUDUXFWWAQEMKN-HNNXBMFYSA-N 359.474 2.723 0 50 FFAA Cc1cc(CN2CCC3(CC2)CN(C(=O)Nc2ccccc2)CCO3)on1 827969458 HZWARWGXKIOGNW-UHFFFAOYSA-N 370.453 2.882 0 50 FFAA O=C1CCC2(CCN(C(=O)NCCSc3ccc(Cl)cc3)CC2)N1 584900253 WHOOMJGPPRMCEF-UHFFFAOYSA-N 367.902 2.886 0 50 FFAA O[C@@H](c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2)C1CC1 825505938 JARYRVLEFGWWIY-GOSISDBHSA-N 361.829 2.724 0 50 FFAA CN(CCCn1cccn1)C(=O)NC1CCN(CCc2ccccc2)CC1 584901977 SOWHRPNOTKOLGB-UHFFFAOYSA-N 369.513 2.622 0 50 FFAA Cc1ccc(CCC(=O)NC[C@H]2CCCN(C(=O)c3ccno3)C2)cc1 952982574 ZCTBBSPWYGPXBZ-QGZVFWFLSA-N 355.438 2.584 0 50 FFAA Cc1cc(CN2CC3(C2)CN(C(=O)c2ccon2)CC(C)(C)O3)cs1 952894570 OATFDEAIZAKWDQ-UHFFFAOYSA-N 361.467 2.550 0 50 FFAA CCN1CCN(CC(=O)N(Cc2ccccn2)Cc2sccc2C)CC1 952963262 GQNIXGKWJURLMS-UHFFFAOYSA-N 372.538 2.618 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 1320255207 WQWSEJPUQNDZOR-HNNXBMFYSA-N 368.441 2.968 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)c(C)n1 275541083 CVODCLMEITUMPB-SFHVURJKSA-N 353.470 2.615 0 50 FFAA CC(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 276727337 GNDFXWPIATUSPO-UHFFFAOYSA-N 361.463 2.506 0 50 FFAA O=C1C[C@@H](c2ccccc2)N(C(=O)c2cc3c(s2)CCOC3)CCN1 170870151 VEKQXNWVFUVIKF-HNNXBMFYSA-N 356.447 2.524 0 50 FFAA O=C(C[C@H]1OCCc2ccccc21)N1CCCN(c2nccs2)CC1 172204476 LINSXFRBDJMKCS-QGZVFWFLSA-N 357.479 2.886 0 50 FFAA C[C@H]1CN(C(=O)c2ccc3ccc(Cl)cc3n2)CCN1CC(C)(C)O 188677362 XYGRIKNGMQFHSJ-ZDUSSCGKSA-N 361.873 2.805 0 50 FFAA Cc1ccc(-n2cc(C(=O)N3CCOC[C@H]3c3nc(C)cs3)nn2)cc1 188611704 WOOQOGWASUYZNH-INIZCTEOSA-N 369.450 2.554 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1 193434309 IKGMXXLZISHRPP-GOSISDBHSA-N 365.433 2.680 0 50 FFAA O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCN2CCC[C@H]2C1 195028034 DVVVKFFSSWYUPB-HNNXBMFYSA-N 364.371 2.811 0 50 FFAA C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1F)Oc1cccnc1 1506404479 UOKNRAHCOOPYJQ-NSHDSACASA-N 358.822 2.761 0 50 FFAA CCCN1CCN([C@H](C(=O)O)c2ccc3cc(OC)ccc3c2)CC1=O 1506420908 DMXHVTXPUDIFLC-IBGZPJMESA-N 356.422 2.528 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@H]2O)on1 1529146437 YEBMHFSUDQKSSZ-MLGOLLRUSA-N 369.248 2.894 0 50 FFAA CN(CC(=O)Nc1ccc(Cl)cn1)Cc1cccc(-n2cccn2)c1 1529125542 ONQTVCQUEWUIAQ-UHFFFAOYSA-N 355.829 2.991 0 50 FFAA Cn1nccc1C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704313498 OCIFRSKMTKPDSC-UHFFFAOYSA-N 350.422 2.606 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2coc(COc3cccc(F)c3)n2)cnn1C 11843360 IAOHAADAMKPOHQ-LLVKDONJSA-N 358.373 2.926 0 50 FFAA O=C(CCc1ccsc1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12595933 RHVGQNMYUCMMLG-QGZVFWFLSA-N 354.475 2.565 0 50 FFAA COc1ccc(C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1OC 12952549 OOQFXQKLYZTIDG-UHFFFAOYSA-N 352.383 2.890 0 50 FFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCc1ccc(OC)cc1 14752625 YPSYIYVPDYCLAM-INIZCTEOSA-N 373.497 2.765 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)N1CCOCC1 19849897 CFARFXUMTWQPCG-PZJWPPBQSA-N 350.418 2.785 0 50 FFAA CN1CCN(CCn2ccnc2-c2ccc3cc(Cl)ccc3n2)CC1 1857690124 AXONMPNXWRNKSP-UHFFFAOYSA-N 355.873 2.999 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)OCC(=O)N4)c2n1 1857701670 XWABGVFZAMJEOC-UHFFFAOYSA-N 360.377 2.530 0 50 FFAA O=C(N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3)C1(c2ccc(Cl)cc2)CCC1 1857729074 UFNSJMQGADBJQX-TVKQPGBESA-N 361.869 2.760 0 50 FFAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@H]2CCC[C@H]2C1 1857729703 IKSJEIGSJXCFOT-HZSPNIEDSA-N 355.463 2.908 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc3ccc(OC)cc3n1C)C2 248095365 XSBRYHLCVHHGDL-CVEARBPZSA-N 369.465 2.660 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 262471938 JOFMZHSFMOJATB-GVDBMIGSSA-N 367.401 2.546 0 50 FFAA COc1cccc(/C(C)=C/C(=O)N2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)c1 862911299 KANXVTVUQQWUND-SEZUTPLYSA-N 357.410 2.779 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1 858082 PXIYXXZJBLYXSB-AEFFLSMTSA-N 354.406 2.876 0 50 FFAA COCCN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@]1(O)c1ccc(OC)cc1 4697934 PQSKPSYLEOYJID-AZUAARDMSA-N 373.405 2.689 0 50 FFAA Cn1cnc2nc(=NCC[C@@H]3CCCCN3Cc3ccccc3)[nH]cc21 2100482240 KRPNAXNYEBCUNJ-KRWDZBQOSA-N 350.470 2.642 0 50 FFAA O=C(NCc1nc(-c2cccnc2)cs1)c1coc([C@@H]2CCCN2)n1 2325821143 IUBQBGXNPLZGRO-LBPRGKRZSA-N 355.423 2.548 0 50 FFAA CC(=O)N(C)C[C@@H]1CN(C(=O)c2ccc([C@@H]3CCC3(C)C)cc2)CCO1 2325848293 CWYJBJZZECKACZ-MOPGFXCFSA-N 358.482 2.910 0 50 FFAA O=c1c2cccc(Br)c2ncn1Cc1ccc2c(c1)CNC2 2325858921 GSAQSILTMZEFSU-UHFFFAOYSA-N 356.223 2.811 0 50 FFAA CC[C@@H](C)CCC(=O)N(C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867684 CGBNQYZGCXWMGO-CSNJMZFVSA-N 351.535 2.650 0 50 FFAA COC(=O)[C@@H]1C[C@@H](C)CN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 2325868919 QJBMJVGLHAMXEH-TZMCWYRMSA-N 359.401 2.591 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)CCN1C(=O)[C@@H]1C[C@H]1F 2325871326 HXTCIWWFUDAJGS-KBRIMQKVSA-N 355.413 2.656 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](c3ccn(C)n3)C2)cc1 2325889960 IHJTXWQDJKXBRS-INIZCTEOSA-N 352.438 2.589 0 50 FFAA CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)c1cc2ccccc2s1 127071079 RWVVCENSSMWJAH-GJZGRUSLSA-N 360.479 2.698 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C 2858339 GJWFAJZZPLUEFK-UHFFFAOYSA-N 367.467 2.716 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1 2873030 LPMGTAALQLGIHP-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccs2)c1 4412468 LOCHFVLURAVYFG-UHFFFAOYSA-N 359.451 2.539 0 50 FFAA COC(=O)c1n[nH]c2c1[C@@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 65526250 SXMROGOCGJULGM-CYBMUJFWSA-N 364.361 2.858 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 120524090 KIPZPOSHHMZYTQ-AWEZNQCLSA-N 368.359 2.662 0 50 FFAA CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 65364221 WMFJOHVXLFFGPM-GOSISDBHSA-N 366.527 2.530 0 50 FFAA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)c1ccco1 123618026 UMFSPHVLVANLHK-BXKDBHETSA-N 371.220 2.555 0 50 FFAA COc1cc(OC)cc([C@@H]2CC(=O)NCc3nc4ccc(C)cn4c32)c1 65531143 WZXPYHRGHHTIII-INIZCTEOSA-N 351.406 2.812 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)cc1 331155736 KHRNMYISKDJOSP-NVXWUHKLSA-N 372.490 2.969 0 50 FFAA O=S(=O)(C[C@H](O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 1399257 XMWNUCGQPBZEMW-GFCCVEGCSA-N 362.781 2.832 0 50 FFAA CC(C)c1nnc(C(=O)N(C)Cc2ccccc2N2CCOCC2)s1 333396437 AVFNWXJVPOBDHD-UHFFFAOYSA-N 360.483 2.770 0 50 FFAA Cn1cc(CN2CCc3[nH]cnc3[C@@H]2c2cc(-c3ccccc3)no2)cn1 72409941 WNMFCPOFUSKHOC-FQEVSTJZSA-N 360.421 2.946 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cnc4ccccn34)C2)CCC1=O 77518965 GTXDCFNCQJQKIC-OAQYLSRUSA-N 368.481 2.979 0 50 FFAA Cc1cccc(NC(=O)CN(C)C(=O)c2c3ccccc3nn2C)c1C 475283786 YQALVDRMGRGORZ-UHFFFAOYSA-N 350.422 2.901 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)CCC1=O 77489626 CWEYAQIIYSVPKK-NRFANRHFSA-N 372.513 2.933 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccccn3)C2)CN1Cc1ccccn1 72410569 HAZODLSHBWMXLL-OAQYLSRUSA-N 364.449 2.522 0 50 FFAA COc1ccc2c(c1)O[C@H](C)CN(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 11910110 UVHAMRCHVPXOOP-SECBINFHSA-N 355.316 2.860 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CCO1 238143349 QSELGQZXFKWNIA-LJQANCHMSA-N 364.401 2.615 0 50 FFAA CC(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c1 480784111 AHYDZUWFDFOYGY-GFCCVEGCSA-N 360.435 2.752 0 50 FFAA CSCc1nc(CNC(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cs1 215243700 LFWDTUNBLUFTAE-CYBMUJFWSA-N 361.492 2.773 0 50 FFAA COc1ccc(-c2noc(CN(C)c3cc(C)nc4ccnn34)n2)cc1 72458492 FSYSZEATLJRENA-UHFFFAOYSA-N 350.382 2.733 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(C)CCCOc3ccc(C)cc3)cnc21 77459677 WWEJYGOSQSTCNS-UHFFFAOYSA-N 367.453 2.883 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)CC2CCOCC2)C1 490907412 BBLVWTFCTWXNNH-ZDUSSCGKSA-N 359.392 2.962 0 50 FFAA O=C(O)COc1ccc(Cl)cc1CN1CC[C@H](N2CCCCC2)C1 215003426 DKSYYYJLCCYQGI-INIZCTEOSA-N 352.862 2.864 0 50 FFAA Cn1ncc(Cl)c1C(=O)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 215630840 UPKGMOAVWXVYGN-CYBMUJFWSA-N 365.861 2.541 0 50 FFAA O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72418054 HMLHXEXUKBTWIM-MAUKXSAKSA-N 369.490 2.839 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)cc2)n1 262214255 JKCLIQDQRAAGOO-OXJNMPFZSA-N 353.422 2.816 0 50 FFAA O=C1OC2(CCN(CC[C@H]3CCOC3)CC2)CN1CCOc1ccccc1 77555033 QLKOXNJKFUKJBU-SFHVURJKSA-N 374.481 2.779 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCC([C@H]2CCOC2)CC1 374931096 SPCFHIQZLYEZBV-HNNXBMFYSA-N 373.419 2.880 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4ccnc(C)c4)C3)CCC2=O)cn1 77320604 ALSVIHNNQUNDQG-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA CCOC1CC(C(=O)NCC2CCN(Cc3csc(C)n3)CC2)C1 376697699 ZKGGUOPEYCZRQW-UHFFFAOYSA-N 351.516 2.595 0 50 FFAA OCCCNc1nc(N2CCN(C3CCCCC3)CC2)nc2ccccc12 41150415 VLAXZNJBSLKMKF-UHFFFAOYSA-N 369.513 2.879 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc1 77503283 PLUSUFSDSFRHIU-KRWDZBQOSA-N 357.454 2.908 0 50 FFAA COc1ccc([C@@H]2[C@@H]3C(O)=NC(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 137773782 WJPKPUSNXPCASB-GVDBMIGSSA-N 354.362 2.678 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(-c2cc(N)ncn2)cc1 426668934 CPVGCIVGWZJTDK-UHFFFAOYSA-N 364.453 3.019 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@](O)(CN(C)C)C3)cc2)cn1 426640599 YCZNAZHEHCPUJW-NRFANRHFSA-N 353.466 2.586 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCc1cccs1 222846045 NQJOGSLRHFIEMB-SJORKVTESA-N 364.467 2.776 0 50 FFAA Cc1cccc([C@H](NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C(=O)O)c1 426595121 YJLMJEZDCRZCKG-INIZCTEOSA-N 358.442 2.983 0 50 FFAA O=c1n(Cc2ccc(Br)cc2)nc2n1-c1ccccc1OC2 43214610 XMDDWTWEDRULEB-UHFFFAOYSA-N 358.195 2.737 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1 20366946 OOVRWJNICFAMTA-UHFFFAOYSA-N 353.422 2.808 0 50 FFAA CN(C)C(=O)[C@@H]1CCCN1C(=O)NCCc1cccc(C(F)(F)F)c1 426746372 YIMDHROLBBVQLK-AWEZNQCLSA-N 357.376 2.510 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91693612 RHXPGVPBNQKOSA-HUUCEWRRSA-N 370.415 2.872 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(c2nc3ccccc3o2)CC1 92028817 RLCCSQJIDCEESI-UHFFFAOYSA-N 363.425 2.585 0 50 FFAA CC(=O)N(C)c1cccc(NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c1 97393995 LYTJJAWWZXPVQW-UHFFFAOYSA-N 372.469 2.536 0 50 FFAA CC(=O)NCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C 91537011 PSTWJEJUIINLAD-CYBMUJFWSA-N 350.422 2.647 0 50 FFAA CCc1nc(CN2CC[C@]3(CCCN(CCCOC)C3=O)C2)cs1 91255136 JNIBRAGMRBYKCV-GOSISDBHSA-N 351.516 2.557 0 50 FFAA CN1CCC(CNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 426582817 LZGQGGLNIKXFIJ-QGZVFWFLSA-N 351.878 2.765 0 50 FFAA O=C(CCN1CC[C@]2(CCCN(CC3CCC3)C2=O)C1)Nc1cccnc1 95361375 SDOXPFYJWRODRX-OAQYLSRUSA-N 370.497 2.525 0 50 FFAA O=C(c1cnc(COc2ccccc2)nc1O)N1CCC[C@H]1C(F)(F)F 91412431 DIENCIBJLVCJHW-ZDUSSCGKSA-N 367.327 2.928 0 50 FFAA Cc1ccc2occ(CN3CCC[C@@H](c4cc(=O)[nH]cn4)C3)c(=O)c2c1 23153484 IFKBHNZLIOHPDJ-CQSZACIVSA-N 351.406 2.564 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 237527877 QIUWFQJVOJNFFO-AAEUAGOBSA-N 363.259 2.587 0 50 FFAA CC(C)n1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95501387 SIBBQQHVXAKFRW-GOEBONIOSA-N 372.494 2.789 0 50 FFAA Cc1ccc(C)c(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)c1 91427190 VFXOOTXXVRKZQT-QGZVFWFLSA-N 358.482 2.981 0 50 FFAA COc1cc(C)c([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c(C)c1 95384494 DDRHVZZWYQPPMD-FQEVSTJZSA-N 369.465 2.651 0 50 FFAA Cc1ccn2c(F)c(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)nc2c1 92077294 XLZRAMXCYBSMSW-HXUWFJFHSA-N 372.444 2.645 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 95386957 HWTNBAGBXKEAHI-FQEVSTJZSA-N 373.541 2.925 0 50 FFAA O[C@H](COc1ccccc1-c1cccc2cnccc12)CN1CCOCC1 96139264 TZEVTEIFPDNDEQ-SFHVURJKSA-N 364.445 2.974 0 50 FFAA O[C@H]1COC2(CCN(Cc3sc(N4CCCC4)nc3Cl)CC2)C1 97698913 PIQBMDUTDGTNMP-GFCCVEGCSA-N 357.907 2.513 0 50 FFAA Cc1nc([C@H]2CCCCn3nnnc32)n(Cc2c(F)cccc2Cl)n1 96132026 SEZPZCNJASBZHC-LLVKDONJSA-N 361.812 2.730 0 50 FFAA Cc1ccsc1C(=O)[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 95506953 BWOXPXCLOCNSGF-HNNXBMFYSA-N 362.495 2.880 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccccc1-c1nc[nH]n1 244748598 OKOXFZVYCAKOSB-BXWFABGCSA-N 362.433 2.584 0 50 FFAA c1ccc(N2CCN(CCN3CCC(CCn4cccn4)CC3)CC2)cc1 244724514 MVOGAGHHIPUZOJ-UHFFFAOYSA-N 367.541 2.807 0 50 FFAA CCCCc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)O)s1 244764119 PBSDJCKHTOJAIH-HNNXBMFYSA-N 350.484 2.646 0 50 FFAA Cc1cccc([C@H]2CCCN(CCC(=O)N3CCC(C(=O)O)CC3)C2)c1 244678783 IKANZICUUSSYRZ-IBGZPJMESA-N 358.482 2.888 0 50 FFAA COc1ccc(F)cc1[C@H](Nc1nc(N(C)C)ns1)[C@H]1C[C@@H](O)C1 244874281 WYEHPRJVZMOVNB-OLUVUFQESA-N 352.435 2.676 0 50 FFAA COc1ccccc1C1CCN(c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)CC1 244866332 VUFBRHKPYBASSZ-GASCZTMLSA-N 353.470 2.656 0 50 FFAA Cc1[nH]nc(C(C)C)c1-c1ccc(C(=O)NCC(=O)N2CCCC2)cc1 534645935 GFMBGHKKBZQNCR-UHFFFAOYSA-N 354.454 2.861 0 50 FFAA O=C(CSCc1ccccc1)Nn1c(S)nc2ccccc2c1=O 102232741 XGEYQKZGTKRQML-UHFFFAOYSA-N 357.460 2.689 0 50 FFAA CN1C[C@H]2CN(C(=O)NCc3cccc(OCc4ccccc4)c3)C[C@H]2C1 584890915 IQYNWFAQEWAFQA-BGYRXZFFSA-N 365.477 2.969 0 50 FFAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cccc(Oc2ccc(Cl)cc2)c1 67542191 HETVRPKTWGZQAU-YJBOKZPZSA-N 359.857 2.780 0 50 FFAA C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(Cc2ccccc2F)nn1 1875270186 JVCLIOFTUZLMPR-OAHLLOKOSA-N 367.428 2.514 0 50 FFAA COc1ccccc1[C@H]1CC[C@@H](C)CN1c1ncnc2c1cnn2CCO 1875256942 GLQBPOMTRSBZTB-RHSMWYFYSA-N 367.453 2.805 0 50 FFAA Cc1ccc([C@H](O)CNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc1F 1875360872 KYPRMMRQOQXVEL-PKOBYXMFSA-N 370.424 2.727 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](NCc2cccc3nsnc23)C12CCC2 1875404925 CGNTXEINGVZSSF-WXYCVUISSA-N 356.495 2.864 0 50 FFAA Cc1ncnc(N2CCN(C(=O)c3ccc(-c4cnco4)cc3)CC2)c1C 952979536 UEVJICQMRTWRFT-UHFFFAOYSA-N 363.421 2.711 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc(Cl)cn2C)n1 952974790 NIKAVDIEZRAKOV-LBPRGKRZSA-N 352.822 2.618 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 1353040299 WOFZCGHCHCZLCV-FZMZJTMJSA-N 372.343 2.747 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cccnc3SC)C[C@@H]2N(C)C)cc1 1565510938 BVQZCVPITYYTQS-MSOLQXFVSA-N 371.506 2.982 0 50 FFAA CCc1ccc(CS(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 170597446 QJVDSFZTOQHFPH-UHFFFAOYSA-N 360.357 2.898 0 50 FFAA CC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 170633896 ZRXWDNQYKRSXBA-KRWDZBQOSA-N 360.454 2.832 0 50 FFAA CCOC(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)CCO2 225670851 RCKWKXCZCZEWMA-UHFFFAOYSA-N 372.396 2.518 0 50 FFAA C[C@H](O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 171764616 XLTVUDUIYPXDGP-JXFKEZNVSA-N 366.461 2.909 0 50 FFAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@H](C(F)F)C1 194140574 YOYKSEAUMHQJBS-LBPRGKRZSA-N 371.771 2.815 0 50 FFAA COc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)ccn1 1506405719 CABKOSNXAJDAKJ-UHFFFAOYSA-N 355.482 2.817 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(Cc1cnn(C)c1)CC2 1506417627 RZENBQYCNBUFAL-OAQYLSRUSA-N 364.449 2.980 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 1506405508 FGHDFAJRVXQJDZ-FQEVSTJZSA-N 372.513 2.738 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)CCN12 1529179771 DOTCIRJOWNJWJN-ZWKOTPCHSA-N 355.438 2.667 0 50 FFAA COc1ccccc1CCNC(=O)CN1CCC[C@@]2(CCC[C@H]2OC)C1 1704312251 HJTCUWFMAILWCF-CTNGQTDRSA-N 360.498 2.635 0 50 FFAA CC(C)CC(=O)N1C[C@H]2CN(CC(=O)O)C[C@]2(CCc2ccccc2)C1 1772707734 VOCGJYFXQZAKPK-WIYYLYMNSA-N 358.482 2.510 0 50 FFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](C2(O)CC2)C1 1772805705 PVLCSKUCXPUDMX-HNNXBMFYSA-N 362.451 2.576 0 50 FFAA CC(=O)N[C@@H](CC(C)C)c1nc(-c2ccccc2)nn1-c1cnn(C)c1 1772812287 FAFMAIWPCICCMO-KRWDZBQOSA-N 352.442 2.891 0 50 FFAA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(Cc2ccco2)CC1 12380431 ICHAKUQUHZDVFA-INIZCTEOSA-N 354.450 2.880 0 50 FFAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 12380849 OBTSAVSJHDNYQJ-LLVKDONJSA-N 359.813 2.936 0 50 FFAA O=C(c1cnccn1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12595136 ZEPGQKOSQKTPAR-HXUWFJFHSA-N 372.419 2.883 0 50 FFAA OCc1ccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 19795028 YTCRVELGTVIFSH-IBGZPJMESA-N 373.472 2.698 0 50 FFAA Cn1nc(C(=O)NCc2cc(-c3ccccc3Cl)on2)nc1Cl 1857681297 HXABHLINYFXPCG-UHFFFAOYSA-N 352.181 2.707 0 50 FFAA CCN1CCC2(CC1)OCCc1cc(C(=O)NCc3cccnc3)sc12 1857683405 RZCZZHIDRUWTFW-UHFFFAOYSA-N 371.506 2.957 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 237435625 XZKJAAYCKWGMQY-RKDXNWHRSA-N 367.696 2.603 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCOc1ccccc1Br 237469328 SQOOXIGBOQWCMO-OLZOCXBDSA-N 355.276 2.946 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]([C@H](C)N)C3)n2)cc1F 237432532 AFNDFCJZJMIAQC-ZFWWWQNUSA-N 360.433 2.703 0 50 FFAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)cc1 247968875 CJDVNGHCVCATDG-CALCHBBNSA-N 371.485 2.698 0 50 FFAA CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 248251845 SPQBIGTXXGNCDT-YXAMBPQSSA-N 356.422 2.676 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@H]1CC(=O)N(c2nccs2)C1 369967723 SCJMXQHJWRAVDE-VIFPVBQESA-N 353.806 2.605 0 50 FFAA Cc1c(C(=O)N2CCNC[C@H]2c2nccn2C)oc2ccc(Cl)cc12 261777803 RZYMZZWFNFMFPK-AWEZNQCLSA-N 358.829 2.915 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)CCc1ccc(C(=O)O)cc1)CC2 262086287 HNGNSTJFGJDPKF-UHFFFAOYSA-N 369.417 2.920 0 50 FFAA C[C@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 263178031 GYHNTFUXXOKUTB-GOEBONIOSA-N 373.453 2.741 0 50 FFAA O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Br 4842645 DXRFHYVGYOVSSX-UHFFFAOYSA-N 356.197 2.948 0 50 FFAA CC(C)(N)C(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100545253 LJTGOEAJHDCXMP-HXUWFJFHSA-N 367.493 2.688 0 50 FFAA CC(=O)NCCCC(=O)Nc1c(-c2ccccc2)c(C)nc2cc(C)nn12 2100548031 SREBHMUWDBQQFA-UHFFFAOYSA-N 365.437 2.868 0 50 FFAA C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC1CC(=O)NC(=O)C1 2325779660 WGIZMKHKRDJTGL-OAHLLOKOSA-N 364.445 2.844 0 50 FFAA Cc1c(C(=O)Nc2cncc(C(=O)OC(C)(C)C)c2)cnc2ccnn12 2325798116 NKSQIJPYYXTJAO-UHFFFAOYSA-N 353.382 2.640 0 50 FFAA CCC(C)(C)OCC(=O)N[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 2325838969 DWRHRSYGXGYMRB-KGLIPLIRSA-N 364.490 2.505 0 50 FFAA CCN(CC)[C@@H](CNC(=O)N1CCc2ncncc2C1)c1ccsc1 883113752 CAVJUABOOABANY-KRWDZBQOSA-N 359.499 2.689 0 50 FFAA CCN(C(=O)Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1 1139544 LRFKXHVFILHILZ-UHFFFAOYSA-N 362.393 2.722 0 50 FFAA Cn1cc(SCC(=O)Nc2cnc3sccn3c2=O)c2ccccc21 2356151479 KHPSBJQEDNVMKH-UHFFFAOYSA-N 370.459 2.979 0 50 FFAA O=C(CN1C(=O)C(=O)c2ccccc21)Nc1cccc(Br)c1 2688714 HMNDRWLTRHMNMD-UHFFFAOYSA-N 359.179 2.617 0 50 FFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1-c1ocnc1CC1CC1 2356159345 WRYNMAYDJHIEQS-LLVKDONJSA-N 355.847 2.812 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@@]34CCCN(C(C)C)C4=O)c2n1 2356162511 DSDZPCWDCDLOCP-FQEVSTJZSA-N 355.486 2.712 0 50 FFAA Cc1ccc(N2C(=S)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4140706 RFNSVBYCXKCXKV-DLBZAZTESA-N 358.488 2.772 0 50 FFAA O=c1n(-c2ccccc2)c(=O)n2n1C1c3ccccc3C2c2ccccc21 4954398 FAQDPZRYUPLJEC-UHFFFAOYSA-N 353.381 2.703 0 50 FFAA COc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC2CCCCC2)cc1 10861350 SCAGZXQCSVKMRX-LBPRGKRZSA-N 361.471 2.600 0 50 FFAA Cc1c(-c2ccnc(N3CCCCC3)n2)cnc2nc(-c3ccncc3)nn12 54201966 JGWOPBQIZDTKIV-UHFFFAOYSA-N 372.436 2.942 0 50 FFAA Cc1nc(CC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cs1 116659355 DOXULVYRYZUAHG-LBPRGKRZSA-N 367.421 2.991 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)no2)cc1OC 21719706 OSQHKXLICOOVQL-CYBMUJFWSA-N 352.412 2.526 0 50 FFAA COc1ccc(CN2CCN(Cc3ncccc3C)CC2)c(OC)c1OC 22892176 WBELKFPJEFJKIR-UHFFFAOYSA-N 371.481 2.734 0 50 FFAA CC[C@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 67726192 DNDMPZOIHOFGDC-QGZVFWFLSA-N 360.421 2.885 0 50 FFAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67758351 YBHROXXANWVDKJ-CQSZACIVSA-N 360.433 2.542 0 50 FFAA CC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CCNC3)no1 67867950 UOXFAOKDPQXKLU-UHFFFAOYSA-N 364.453 2.983 0 50 FFAA Cc1nc(CNC(=O)c2coc(Cn3cnc4ccccc43)n2)cs1 67934067 RSJVFABWFMWFTQ-UHFFFAOYSA-N 353.407 2.768 0 50 FFAA O=C(O)c1nn(Cc2ccc(F)cc2)c2c1CN(C(=O)CCC1CC1)CC2 67741550 PZJJABATSZBLFK-UHFFFAOYSA-N 371.412 2.844 0 50 FFAA CCc1ncsc1C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 138704605 PKFHEYZPGIWQCJ-UHFFFAOYSA-N 368.462 2.785 0 50 FFAA O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccc2ccccc2c1 67604675 ZXGYYLYRYACAGU-UHFFFAOYSA-N 358.405 2.657 0 50 FFAA Cc1ccc(N2C(=O)N(CC(=O)N3[C@H](C)CCC[C@H]3C)C(=O)[C@@H]2C)cc1 229452290 FXBBGZNPQNBFAY-OAGGEKHMSA-N 357.454 2.942 0 50 FFAA c1ccc(CNc2nc(NCc3ccco3)nc(N3CCOCC3)n2)cc1 39706884 YLWCAHQTBFMUNY-UHFFFAOYSA-N 366.425 2.525 0 50 FFAA COc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1-n1cnnn1 120184716 ZSLHPAAPYWQCGA-UHFFFAOYSA-N 355.442 2.857 0 50 FFAA COc1ccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1OC 6398536 AMVZKACEMSWUME-UHFFFAOYSA-N 373.478 2.928 0 50 FFAA CCOc1ccc([C@@H](COC)NC(=O)Cn2cc3ccccc3n2)cc1 253422991 QXZDNNWEAASMMK-LJQANCHMSA-N 353.422 2.939 0 50 FFAA Cc1ccc(NS(=O)(=O)c2c(C)ccc3cccnc23)cc1C(N)=O 477341759 OVKYUAUVCDCXIB-UHFFFAOYSA-N 355.419 2.751 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 328629239 IAKGOUWWALWHND-SESVDKBCSA-N 356.514 2.859 0 50 FFAA O[C@H](CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)CC(F)(F)F 328604888 LRYYMKMJUSZDNG-DVOMOZLQSA-N 359.392 2.689 0 50 FFAA COCCO[C@H]1[C@H](NC(=O)C(C)(C)C)c2ccccc2C12CCNCC2 72130975 AKPZAIQVZNKDHZ-MSOLQXFVSA-N 360.498 2.556 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2ccccn2)CC1 77343202 PYCXXDPEOARPKP-UHFFFAOYSA-N 354.502 2.576 0 50 FFAA CCn1c(=O)n(CC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ccccc21 156869911 FRJVAABXBKBMSZ-KRWDZBQOSA-N 367.453 2.527 0 50 FFAA O=C(c1ccc(C[C@@H]2CCCNC2)cc1)N1CCC(c2ncc[nH]2)CC1 72410449 YRWBWQXTNKLFDY-KRWDZBQOSA-N 352.482 2.972 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cccc(C(F)(F)F)c3)C2)CN1CCO 77406734 DRFHQXYFKXRNEF-GOSISDBHSA-N 370.415 2.902 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3ccc4nccn4c3)CC2)oc1C 171889281 HGZKPWCWKQJDBQ-UHFFFAOYSA-N 367.453 2.581 0 50 FFAA Cc1ccccc1Cc1nnc(CN2CCOC[C@@H]2c2cccn2C)o1 131948300 INYJVTUPOCIZQJ-GOSISDBHSA-N 352.438 2.881 0 50 FFAA CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 172890694 KQYFZWBQHBPKSH-CQSZACIVSA-N 372.494 2.830 0 50 FFAA CCOC(C(=O)NCc1cc(O)ncn1)(c1ccccc1)c1ccccc1 426551806 MCGISRBOLMVYSJ-UHFFFAOYSA-N 363.417 2.779 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3ncncc3C)CC2)c(OCCCN)c1 426415653 RWOCJGDWTSCYAQ-UHFFFAOYSA-N 368.481 2.841 0 50 FFAA CN1CCC(CNC(=O)c2ccc(N(C)C)c3ccccc23)(N(C)C)CC1 223186335 GSCOQSMSIZXCHQ-UHFFFAOYSA-N 368.525 2.662 0 50 FFAA O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CCN(Cc1cccnc1)CC2 19110768 BSLFPOCNWAIWFR-RTWAWAEBSA-N 360.461 2.776 0 50 FFAA Nc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cn1 82087759 ZDBVDLXVNMNBSZ-GOSISDBHSA-N 361.449 2.928 0 50 FFAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)cc1 426360232 PGLWVUUIFMCFDU-MRXNPFEDSA-N 371.437 2.534 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N(CCO)Cc1cccs1 97295106 OBFOASPVHKGFPT-UHFFFAOYSA-N 354.435 2.543 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1n[nH]c2c1COCC2 426701662 RUSPXZSNEXWMSU-UHFFFAOYSA-N 354.435 2.878 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cccnc3SC)C[C@H]2C(=O)O)c1 91746789 VFXBWLZJFPSPBP-JKSUJKDBSA-N 372.446 2.753 0 50 FFAA CN(C)c1nccnc1N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91690235 BQOQAHSCRUUDPB-KRWDZBQOSA-N 363.469 2.566 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@H](c1cccnc1)N1CCOCC1 95390695 OGWOVPIEBWJFGR-IBGZPJMESA-N 371.506 2.706 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1c(C)cc(C)nc1OC)C2 92081324 IVOBIVNPBIZDBP-HNNXBMFYSA-N 356.422 2.583 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1noc3c1CCCC3)CC(=O)N2 91934838 QVEJFXAZLMOXNU-OAHLLOKOSA-N 369.421 2.646 0 50 FFAA CN1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)Nc2ccccc2)CC3)C1 91473884 PMYOCCGEZYPZEA-GOSISDBHSA-N 370.497 2.627 0 50 FFAA Cn1cnc2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)ccc21 95368025 ROSYKXFGEFNHQH-SJLPKXTDSA-N 352.482 2.910 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)[nH]n2)c1 95512767 RPSWFDDBXBZPSI-SFHVURJKSA-N 365.389 2.511 0 50 FFAA O=C(c1cn2ccccc2n1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 291876826 JCSMPZMZCQCHJZ-HXUWFJFHSA-N 353.397 2.541 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CO)CCSC)cc1Cl 230212574 HUKFSIOVKNXBEG-LLVKDONJSA-N 369.874 2.583 0 50 FFAA COc1cccc(OCC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)c1 91858805 ZKADNEJDSHKZSS-GOSISDBHSA-N 355.434 2.658 0 50 FFAA COc1cc(C)ccc1OCCN1CCN(C2CCSCC2)CC1 252479859 BNZROGWWDHCFCY-UHFFFAOYSA-N 350.528 2.896 0 50 FFAA O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 299745947 UFKDTKSPSRUQJR-HZPDHXFCSA-N 353.374 2.576 0 50 FFAA NC(=O)c1cccc(NC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1 299772954 DCSRDRZSXFWLLH-GOSISDBHSA-N 366.465 2.787 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCN([C@H]4CCNC4)CC3)c2)cc1F 299766805 LICBVWADQYJFIY-FQEVSTJZSA-N 367.468 2.921 0 50 FFAA CN(Cc1cnc2ccccn12)C(=O)c1cnc(CN2CCCC2)s1 299793424 GZYOPQXIAXAGFJ-UHFFFAOYSA-N 355.467 2.659 0 50 FFAA CN(CC1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 584887768 WTKYAAWQKWAEDW-SFHVURJKSA-N 363.477 2.858 0 50 FFAA CCn1nc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc21 584889924 BXDBONUARPXKFG-CQSZACIVSA-N 352.442 2.869 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@@H](N)c1ccccc1 1354747431 KHONRXPTYYHJFV-CQSZACIVSA-N 354.376 2.807 0 50 FFAA COc1ccc(CN2CC[C@H](O)[C@@H](C(=O)O)C2)cc1OCc1ccccc1 1529106398 NZKKDUBEBIXALZ-ROUUACIJSA-N 371.433 2.542 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565513162 MXAPNDZPZGNGQE-RTWAWAEBSA-N 364.493 2.930 0 50 FFAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cn1 1565511652 GDRBXTDOPFGHNJ-QUCCMNQESA-N 352.482 2.589 0 50 FFAA Cc1cc(-c2cc(S(=O)(=O)NCCCn3cccc3)c(C)s2)n[nH]1 1506412473 DJBMMKLQSVGVFB-UHFFFAOYSA-N 364.496 2.925 0 50 FFAA Cc1nc([C@@H](C)N(C)S(=O)(=O)c2ccsc2C(=O)O)c(C)s1 1506423849 XZVHCPIUOOWROS-SSDOTTSWSA-N 360.482 2.901 0 50 FFAA CN(C)c1nc2c(c(NCc3nc(O)c4ccccc4n3)n1)CCCC2 1704312248 HHBNOFXDBYXBMN-UHFFFAOYSA-N 350.426 2.682 0 50 FFAA Cc1ccc2nc(O)c(CN(CCN(C)C)Cc3[nH]cnc3C)cc2c1 1704312977 CVTKISHDYALEFQ-UHFFFAOYSA-N 353.470 2.844 0 50 FFAA O=C(COc1ccccc1Cl)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 1704299274 PWUSZKOPRXEUJJ-CQSZACIVSA-N 362.857 2.580 0 50 FFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1cccc(OCCCn2ccnc2)c1 1772806092 SXGIHFZVFBFEIK-IEBWSBKVSA-N 368.481 2.547 0 50 FFAA CC(C)(NC(=O)c1cccs1)C(=O)N1CCN(c2ccccc2)CC1 11667557 NXHVUMBATVKFBZ-UHFFFAOYSA-N 357.479 2.605 0 50 FFAA CN1CCCCC[C@H]1C(=O)NCc1cccnc1-n1cnc2ccccc21 11821758 KWEQWYSXDCNCNM-IBGZPJMESA-N 363.465 2.911 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNCc2cc(C)c(C)cc2C)CC1 12075198 PNGPUGCPXYBVPQ-UHFFFAOYSA-N 366.509 2.965 0 50 FFAA CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2cc3ccccc3s2)C1 12198974 KVGKJSWCEAIHTK-CQSZACIVSA-N 367.540 2.509 0 50 FFAA Cc1cc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n(C)n1 12432356 BYSPMHDEQBRDOX-UHFFFAOYSA-N 358.348 2.860 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cn(Cc3ccccc3Cl)nn2)n1 12596396 SLKJCPFORHUQHS-CYBMUJFWSA-N 372.860 2.612 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1 12715223 YXPPVBQJKFNGDK-CQSZACIVSA-N 359.451 2.764 0 50 FFAA Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O 19796161 VSWPGAIWKHPTKX-UHFFFAOYSA-N 370.478 2.534 0 50 FFAA biogenic,world COc1ccccc1-n1cc(C(=O)N[C@H]2CCCc3c2c(C)nn3C)cn1 1857690461 DNXDLZUPTUTMLX-HNNXBMFYSA-N 365.437 2.730 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857696810 DPOUUHRABSXAQL-JRGCBEDISA-N 351.446 2.894 0 50 FFAA Cc1cc(C)c(CC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(C)c1 1857737736 AMAJSBBCCOQPMD-GPQLQYNLSA-N 356.510 2.722 0 50 FFAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 333308462 NAEXATYWDSVVJG-MEDUHNTESA-N 354.859 2.618 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@@H]1c1ccc3c(c1)OCCO3)C2 266287123 BETGMSQATJGBSY-FJIDUMEYSA-N 356.466 2.693 0 50 FFAA O=C(c1cccc(-n2ccnc2)n1)N1CCN[C@H](c2cccc(Cl)c2)C1 952845084 XNOCUXJOPWHZIU-KRWDZBQOSA-N 367.840 2.707 0 50 FFAA COc1cccc(CC(=O)N2CC[C@@H](Nc3ncc(Cl)cn3)[C@@H]2C)c1 1875308180 SYCLWUZVRSTOKO-BLLLJJGKSA-N 360.845 2.783 0 50 FFAA O=C(N[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C1)[C@H]1Cc2ccc(F)cc21 1875406552 HIISYEYWOQLYJE-IZGJJXKASA-N 356.441 2.809 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C(F)(F)F)nc2C)C1 888077774 UKVILMOOTUFIAJ-ZYHUDNBSSA-N 354.332 2.734 0 50 FFAA NC(=O)N[C@H](CC(=O)N1CC2(CCC2)[C@H]1c1cccnc1)c1cccs1 898409302 KZVBSJSTCIXUGP-RHSMWYFYSA-N 370.478 2.996 0 50 FFAA Cn1nc(-c2ccncc2)cc1C(=O)N1CCCNC[C@H]1c1ccccc1 2325779310 XRZACMNCDMFBAT-FQEVSTJZSA-N 361.449 2.659 0 50 FFAA COc1cccc2[nH]c(CN[C@@H]3C[C@@H](Cn4cc(Cl)cn4)C[C@H]3O)cc12 2325785564 DTBZOICERALAAO-NXOUGTEYSA-N 374.872 2.956 0 50 FFAA N[C@H]1CCC12CCN(Cc1ccccc1I)CC2 2325797650 KSTYDMVIYGHIBS-AWEZNQCLSA-N 356.251 2.995 0 50 FFAA C[C@H]1CCN(C(=O)C(=O)N2CC[C@@](c3ccccc3)(C(F)(F)F)C2)C1 2325828393 GBCQCPNENQDBSW-SUMWQHHRSA-N 354.372 2.587 0 50 FFAA C[C@@H](CN(C)C(=O)C[C@H](c1ccccc1)C1CC1)NC(=O)c1cnc[nH]1 2325874752 ZVCYUCPOBXHWIU-WMLDXEAASA-N 354.454 2.570 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc(Br)c2c1CCCC2 2325888946 VCRYZXHWNPTLFT-UHFFFAOYSA-N 351.244 2.911 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCCC[C@H]3C[C@H](C)O)ccc21 2325889259 HQVVERQDSPBTHW-YJBOKZPZSA-N 356.466 2.917 0 50 FFAA COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 793337 ROQWUDMLIHZCCA-GOSISDBHSA-N 361.781 2.770 0 50 FFAA O=C(O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 984518 YJRWCBSDWHJGSR-UHFFFAOYSA-N 352.434 2.785 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 1143637 DQPWMPNODHNALR-INIZCTEOSA-N 354.406 2.856 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2Cl)cc1 1175348 KYJHJNMYARFRAV-UHFFFAOYSA-N 366.870 2.585 0 50 FFAA Cn1nccc1-c1cccc(-c2cnc3c(N4CCC(O)CC4)nccn23)c1 2356147437 WJDCCNHCLANNOV-UHFFFAOYSA-N 374.448 2.758 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)NCc3ccccc3)C1)CC2 2356159942 WSRSEOXXNVCICE-OAQYLSRUSA-N 365.481 2.732 0 50 FFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccnn1Cc1cccnc1 2356166110 OTYCNQAVQIMACQ-FBIZOPLVSA-N 366.465 2.986 0 50 FFAA COc1ccc(CCNC(=O)c2nc(-c3ccccc3)no2)cc1OC 6745981 QPEVJBVNTYFNJC-UHFFFAOYSA-N 353.378 2.726 0 50 FFAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1Cl 10542617 XHOSZKAUVAHZMN-UHFFFAOYSA-N 364.854 2.793 0 50 FFAA CC[C@@H]1CN(C(=O)NCC(C)(C)c2cccs2)CCN1CCOC 117497503 CSPOOJRPMJHAKB-OAHLLOKOSA-N 353.532 2.778 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](N4CCOCC4)C3)c2)n1 20783983 RSSHGNWIDQMDPL-OAQYLSRUSA-N 354.498 2.786 0 50 FFAA COc1cc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1OCC(N)=O 230138857 AKUVATRUEJZYFQ-CWRNSKLLSA-N 360.454 2.600 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)[nH]1 20783077 IQJKNGVENZIODS-UXHICEINSA-N 367.493 2.783 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-n3cccc3)c2)[C@@H]1Cc1ccccc1 20514169 OOFMOZZEUKYURB-HXUWFJFHSA-N 359.429 2.661 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2csc(C3CC3)n2)n1 328640369 QBLDZGNMOJDHRF-CYBMUJFWSA-N 359.455 2.633 0 50 FFAA Cc1noc([C@H](NC2CCN(c3nccs3)CC2)C2CCOCC2)n1 328616208 BLVNPPCDACJPQC-OAHLLOKOSA-N 363.487 2.561 0 50 FFAA COc1ccc(Cc2noc([C@H]3OCC[C@H]3Cn3cccn3)n2)cc1OC 328615955 BFMTXGIJMMKRBU-KSSFIOAISA-N 370.409 2.652 0 50 FFAA COc1cccc(CN2CCC[C@H](N(Cc3cncnc3)C(C)=O)CC2)c1 328646087 SIUQZRJYZNCISG-FQEVSTJZSA-N 368.481 2.888 0 50 FFAA Cc1cnn([C@H](C)CNC(=O)c2cc(COc3ccccc3F)[nH]n2)c1 67872009 AFVGNXVCIIFZFR-CYBMUJFWSA-N 357.389 2.624 0 50 FFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCN(c2ccc(O)cc2)CC1 328882443 MUJKUNHIMOXLPV-SFHVURJKSA-N 352.434 2.859 0 50 FFAA Cc1nc(O)c(C(=O)N(Cc2ccc(F)cc2)C2CCOCC2)nc1C 330336997 ZSXFGHIQDYJCQO-UHFFFAOYSA-N 359.401 2.760 0 50 FFAA Cc1nn(CCN[C@H](C)Cn2cnc3ccccc3c2=O)c(C)c1Cl 67515395 PBYRGKMVOPYZFL-GFCCVEGCSA-N 359.861 2.542 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N[C@H](C)Cc2cccnc2)n[nH]1 71315236 CCMQIAWIJRIFNV-CQSZACIVSA-N 374.448 2.872 0 50 FFAA COc1ccc(Cl)cc1-n1ccc2c(cnc3nc(SC)nn32)c1=O 30875398 IUUQWYCDZLUVEN-UHFFFAOYSA-N 373.825 2.812 0 50 FFAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cnc(N)nc2)C1 15079239 UNFJXHPFZBSSEH-SFHVURJKSA-N 353.514 2.754 0 50 FFAA O=C(c1ccc2nonc2c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72480198 PBYQHJAURQOFOD-UHFFFAOYSA-N 366.465 2.949 0 50 FFAA Cc1nc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)cs1 215858552 QCKCFCHXJKMZRJ-UHFFFAOYSA-N 353.495 2.955 0 50 FFAA Cn1cnnc1CCNC(=O)Cn1c2ccccc2c2cc(Cl)ccc21 219870440 TWWWZBKUGJEPNB-UHFFFAOYSA-N 367.840 2.935 0 50 FFAA O=C(COc1cccnc1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261664507 OHCLDZHVWWSMAV-KRWDZBQOSA-N 357.479 2.693 0 50 FFAA Cc1cccnc1[C@H](NC(=O)c1cc(C(C)C)n2ncnc2n1)C1CC1 216268416 UXEBLTJLANUGQL-QGZVFWFLSA-N 350.426 2.832 0 50 FFAA C[C@@H](C(=O)NC1CCN(C(=O)N2CCCCC2)CC1)c1ccc(O)cc1 216206470 PPVHKGUOECRPBD-OAHLLOKOSA-N 359.470 2.682 0 50 FFAA CC(C)=CCn1c(-c2ccc(F)cc2)cn2cc(C(=O)N(C)C)nc2c1=O 72480731 FCMKFKVHHMYDII-UHFFFAOYSA-N 368.412 2.970 0 50 FFAA CCOc1ccc(-c2ccnc(NC[C@H]3CCN(C)C3)n2)cc1C(=O)O 77506114 APLXGCPUAPQKAK-CYBMUJFWSA-N 356.426 2.604 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)c(C)n1 72481225 LMKJMQGRNALTNM-INIZCTEOSA-N 358.438 2.879 0 50 FFAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N[C@H]1CCc2[nH]ncc2C1 246860919 BZKAHRZLQPPXOQ-IEZWGBDMSA-N 354.454 2.734 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 72418782 LNPDBQZLJNZLNY-HXUWFJFHSA-N 374.525 2.763 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)c3c(F)cccc3Cl)nn2)n1 72441945 NCRSPADNSUSMOF-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA CCCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc(C)n1 72167738 OMSDUKKACKBHFR-GOSISDBHSA-N 350.466 2.918 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cccnc2OCC(F)F)no1 378329622 FUOJLTRBJPNGSR-NSHDSACASA-N 353.329 2.786 0 50 FFAA Cc1ccc(OC2CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 77299568 QOBFQWSNLFYDRL-QGZVFWFLSA-N 358.482 2.869 0 50 FFAA Cn1ccnc1CN(C(=O)CCc1nc(-c2ccccc2)no1)C1CC1 47237884 FSXFXECFZBIAER-UHFFFAOYSA-N 351.410 2.594 0 50 FFAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2csc(C(C)C)n2)C1 71759216 KWSGOUTWEHANCM-UHFFFAOYSA-N 374.514 2.639 0 50 FFAA CC(C)(NC(=O)c1csc(-c2cccs2)n1)c1nnc(N)s1 82099084 GHHCFVAAASKDHI-UHFFFAOYSA-N 351.482 2.970 0 50 FFAA O=C(c1c(-n2cccc2)sc2c1CCC2)N1CCC[C@H](OCCO)C1 179392188 PUQIPQFNFIUDSU-AWEZNQCLSA-N 360.479 2.641 0 50 FFAA O=C1C[C@@H](CNc2ncnc3c2ncn3C2CC2)CN1Cc1ccccc1 292627149 DVNXPQMSAIKHLI-HNNXBMFYSA-N 362.437 2.622 0 50 FFAA CCOC(=O)C1=C(C(F)(F)F)Nc2nc(SC)nn2[C@H]1c1ccoc1 20606473 GVFUPDAQQKOGNR-VIFPVBQESA-N 374.344 2.987 0 50 FFAA CCn1cc(CN(CCOC)C(=O)c2ccc(-c3cnn(C)c3)cc2)cn1 426531596 MEUQDVSKAYTRAO-UHFFFAOYSA-N 367.453 2.592 0 50 FFAA CCc1ccccc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 82109068 FTKVIHCZMGRZFT-UHFFFAOYSA-N 355.486 2.623 0 50 FFAA CCOc1ncccc1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C 82146547 QTANXUWYGSTNPL-HNNXBMFYSA-N 353.422 2.666 0 50 FFAA CCc1cc(-c2cccc(C(=O)NCC3(C)COC3)c2)nc(N(C)C)n1 426403461 FENPIFKTNDYODY-UHFFFAOYSA-N 354.454 2.538 0 50 FFAA COC(=O)c1cc(OC)ccc1-c1cccc(C(=O)N2CCNC[C@H]2C)c1 426422036 TZPVYIQHSGGADM-CQSZACIVSA-N 368.433 2.583 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)o1 91665103 VXYOJNHXMZIQIX-MRXNPFEDSA-N 366.421 2.948 0 50 FFAA Cc1nn(CCNC(=O)[C@H](C)N2CCc3ccccc3C2)c(C)c1Cl 95383015 ZOTFQZPVMYIBDW-HNNXBMFYSA-N 360.889 2.716 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1nc(O)nc2ccccc12 426517777 FFNOPXYMCZILMV-UHFFFAOYSA-N 351.410 2.600 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 95371631 XAVSGYFUPSZCLK-SFHVURJKSA-N 372.488 2.923 0 50 FFAA CCN1CC2(CCC1=O)CCN(Cc1ccccc1O[C@@H](C)C(=O)O)CC2 92028095 IYZHSWDUUOZHLX-INIZCTEOSA-N 374.481 2.763 0 50 FFAA Cc1cc(N2CC[C@@]3(CCCN(C)C3=O)C2)nc(-c2ccccc2O)n1 91756231 CFBVQIOOXLPENT-FQEVSTJZSA-N 352.438 2.606 0 50 FFAA COc1cccc([C@H]2CN(c3cc(OC)ncn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95381240 OPOTZGPSYGCSLN-DUXKGJEZSA-N 366.465 2.560 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N1CCC3(CCOCC3)CC1)CC(=O)N2 91745806 RAZMJFQDHMHQCM-INIZCTEOSA-N 358.438 2.540 0 50 FFAA CN1CCC(N2CCC[C@H]2C(=O)N2CCc3c(Cl)cccc3C2)CC1 252504203 VIEOPJKUDZXFBL-IBGZPJMESA-N 361.917 2.783 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)cc1 299786920 OFBPEHYXXZQWES-ZDUSSCGKSA-N 367.409 2.599 0 50 FFAA CN1CCOC[C@H](CNC(=O)c2cccc(-c3cccc(N(C)C)c3)c2)C1 299780326 BXUMIPMYVNAIQD-QGZVFWFLSA-N 367.493 2.728 0 50 FFAA C[C@H](Cc1cccnc1)NC(=O)Nc1ccccc1CCC(=O)N(C)C 299760364 JLJREYHSVNWZQG-OAHLLOKOSA-N 354.454 2.855 0 50 FFAA CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1 299780686 LBQXVIXZQSGHAZ-RTBURBONSA-N 373.522 2.707 0 50 FFAA Cc1cc(CNC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)on1 827864689 RYZDZQVOGLEXRC-UHFFFAOYSA-N 374.400 2.676 0 50 FFAA CCCN1C[C@@H](NC(=O)c2cccc(-c3ccccc3C(=O)O)c2)CC1=O 584901972 VCAQRDJZDMMRBF-INIZCTEOSA-N 366.417 2.793 0 50 FFAA COC(=O)c1cc(F)c(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)cc1OC 584899471 KLVPTFFOUZQCAN-AWEZNQCLSA-N 373.380 2.807 0 50 FFAA Cn1c(CCO)nnc1S[C@H]1CCc2c(Br)cccc21 1875261372 JQTONSFYZUSRRI-LBPRGKRZSA-N 354.273 2.892 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@H]1CN(c3ncccn3)C[C@H]21 1875330300 WOWVPCIQMJKRHU-BGTYHANMSA-N 352.413 2.603 0 50 FFAA CN(C)CCn1nc(-c2ccccc2)nc1[C@H]1CCc2cnn(C)c2C1 1875349502 ZPIFECZNIJZIMA-INIZCTEOSA-N 350.470 2.513 0 50 FFAA Cc1cccc(CC(=O)NC2CC3(CCN(c4ncncc4C)C3)C2)c1 1875338557 BUSHURCSBSYARR-UHFFFAOYSA-N 350.466 2.811 0 50 FFAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2nc3cnccc3s2)C1 1875395302 AEIHKKZRPHPKQY-UPCLLVRISA-N 364.496 2.558 0 50 FFAA NC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccc(C3CCC3)cc1)C2 1875394242 AJMPMHZYCHAGMC-JZXOWHBKSA-N 365.433 2.598 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1 1875369431 NVTVJBHMGQMBIX-UHFFFAOYSA-N 364.449 2.603 0 50 FFAA COc1ccc2cc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ccc2c1 1875403073 PKVZSCDBGVPWHQ-JSNMRZPZSA-N 365.433 2.614 0 50 FFAA CCOc1cc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)ccc1OC 1875401248 VLFNLNCXKCYTHX-QWHCGFSZSA-N 373.453 2.780 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565506527 RZMRLAVYTXISFO-HOTGVXAUSA-N 364.804 2.769 0 50 FFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCN2CCCCCC2=O)c1 952963804 KPPVYSANFIDUKG-HNNXBMFYSA-N 357.454 2.933 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cnc3cnccn23)CC1 275751093 QFYJYSZBLMABKG-GOSISDBHSA-N 350.470 2.611 0 50 FFAA Cn1c(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)nnc1C1CC1 277829063 RBPKWVHAWMXZGZ-LLVKDONJSA-N 354.380 2.814 0 50 FFAA COc1ccc(C2(c3noc([C@@H]4CC(=O)N(C)C4)n3)CCCC2)cc1OC 277978620 NVBRQOYVEPJDFU-CYBMUJFWSA-N 371.437 2.893 0 50 FFAA CC(C)CO[C@@H]1C[C@H](OC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1(C)C 170634868 HBOULDYCJPSHHO-AHXJXLJNSA-N 355.500 2.823 0 50 FFAA COc1ccc2sc(C(=O)N3CCN(c4cccnn4)CC3)c(C)c2c1 172934046 OAGJFLSINDEOCG-UHFFFAOYSA-N 368.462 2.971 0 50 FFAA Cc1cc(C(=O)N2CCCN(C3CSCCSC3)CC2)c(C)o1 1800413095 ATPKFFAZXLZYAU-UHFFFAOYSA-N 354.541 2.893 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CSc3ccncc3)C[C@@H]2C(=O)O)c1 212441953 SUBJWNVVSZCICX-SJORKVTESA-N 372.446 2.509 0 50 FFAA COc1ccc(CN2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)c(Cl)c1OC 219618896 UXAAMVWHBZMXEB-CABCVRRESA-N 354.878 2.950 0 50 FFAA CCCN1C[C@H]2CN(CCN3CCOCC3)C[C@]2(CCc2ccccc2)C1 1772815888 BGAZLISFDDNJHS-GOTSBHOMSA-N 371.569 2.595 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CSC)C1 11662040 CFQIOAACUQIPEC-IBGZPJMESA-N 365.495 2.773 0 50 FFAA CC(C)c1ccc(N[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1 11662864 FRMVXUPVFXRYNR-QGZVFWFLSA-N 356.470 2.821 0 50 FFAA CSCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12201338 BMRQXJDECXZQBR-SFHVURJKSA-N 350.459 2.530 0 50 FFAA O=C(/C=C/c1ccccn1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12318540 GDLRXJRSAVONOV-PDFOZTTASA-N 365.433 2.969 0 50 FFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1cn(CCCc2ccccc2)nn1 12431745 RXEMYIZPAKAAHV-UHFFFAOYSA-N 364.453 2.784 0 50 FFAA CC1CCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1 14884487 UITHJHDOULXXBU-LJQANCHMSA-N 362.857 2.615 0 50 FFAA CNc1nc(C)c(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)s1 14964443 KSDWZDIWICTFKG-INIZCTEOSA-N 358.511 2.930 0 50 FFAA CCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccccc2Cl)n1 16475137 YAHNCVAVPZCHRT-UHFFFAOYSA-N 361.206 2.796 0 50 FFAA C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@]2(CCOC2)O1 225441811 XNQOHPHQHQFWKZ-BDJLRTHQSA-N 372.234 2.537 0 50 FFAA Cc1cccnc1N1C[C@@H]2[C@H](CNC(=O)c3ccsc3)[C@H]3CC[C@]2(C1)O3 1875243094 PRUCLTUSBBAEND-TVKQPGBESA-N 369.490 2.865 0 50 FFAA C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@](C)(C(=O)O)C1 237539597 VYEQTOFVQRVMEL-BMIGLBTASA-N 356.216 2.540 0 50 FFAA Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCC(=O)O 237731491 AGLVENDUQWLQPM-UHFFFAOYSA-N 370.789 2.916 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)[C@H](O)c1ccccc1C(F)(F)F 900274892 YBUIOTTVJRGXLK-MRXNPFEDSA-N 356.388 2.729 0 50 FFAA O=c1/c(=C/c2cc(Br)ccc2O)sc2nc3ccccc3n12 793910 SPEIKRVTMZKPGK-ZSOIEALJSA-N 373.231 2.925 0 50 FFAA CCc1nc(C(C)C)ccc1C(=O)NCC1(NC(=O)[C@@H](OC)C2CC2)CC1 2325794173 TVUWPGBFXXNODQ-SFHVURJKSA-N 373.497 2.571 0 50 FFAA N[C@H]1CCN(C(=O)Cc2ccc3nc(O)[nH]c3c2)c2ccc(Cl)cc21 2325859279 UCMDURODFPROIN-ZDUSSCGKSA-N 356.813 2.901 0 50 FFAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccn1 681000 DEURRKMQUWVSIF-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 792824 VXLCTYCNPCKCHJ-LBPRGKRZSA-N 352.365 2.790 0 50 FFAA O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1156365 QRLSWDWCONJNSD-UHFFFAOYSA-N 362.426 2.865 0 50 FFAA CCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1 1203913 BPXAFHVLRVWESE-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)n[nH]1 2356153532 KVWKHXMBBOTLJO-NSHDSACASA-N 356.817 2.733 0 50 FFAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)ccc1O 4142691 KZKOFCMKXHHKIT-QGZVFWFLSA-N 360.410 2.905 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 4294120 QMQLALPFQLXRBP-CVEARBPZSA-N 362.838 2.952 0 50 FFAA COc1ccccc1OCC(=O)NCc1nc(-c2ccc(C)cc2)no1 4512657 DCAAHPHPRGQORK-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccccn4)c(=O)n1c23 100630057 UKGPVLKYKZWJSU-NSHDSACASA-N 367.380 2.678 0 50 FFAA O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccco1 8023403 WFCWWJPTMKCJKD-KRWDZBQOSA-N 356.403 2.620 0 50 FFAA O=C1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CN1CC(F)(F)F 117719424 FARBPCQNEIPWLT-GFCCVEGCSA-N 358.385 2.775 0 50 FFAA COc1ccc([C@H](CNC(=O)c2snnc2C)N2CCCCC2)cc1 28292561 XBVZSPOAKIOZAJ-INIZCTEOSA-N 360.483 2.812 0 50 FFAA COc1ccc(-c2nc(Cn3cnc(C(C)=O)n3)c(C)o2)c(OC)c1C 67739616 LGORHZMGMMYWMI-UHFFFAOYSA-N 356.382 2.818 0 50 FFAA O=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 249048501 HYAJGSUIQOSZSM-HSFUPAIVSA-N 351.454 2.891 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)O)n2[C@@H](C)c2ccccc2)nn1C 67689179 KZRBQBGURIEDCV-LBPRGKRZSA-N 357.439 2.773 0 50 FFAA CCCc1nc(NCc2nc(Cc3cccs3)no2)c2cnn(C)c2n1 72418547 QXDJLRPCJPEFKK-UHFFFAOYSA-N 369.454 2.963 0 50 FFAA CCCOc1c(CNC(=O)c2cccc(-n3cnnc3)c2)cccc1OC 215061795 HISIHTXRRRCBEP-UHFFFAOYSA-N 366.421 2.995 0 50 FFAA CCC1(NC(=O)[C@@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71753348 LZXLCIONNXGYMI-LJQANCHMSA-N 370.541 2.817 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CCCOc2ccc(F)cc2)n1 328642448 RBALEWBJRAQMLD-INIZCTEOSA-N 374.416 2.707 0 50 FFAA Cn1c(=O)oc2c(C(=O)Nc3ccccc3N3CCCC3=O)cccc21 130150603 ZYNVBQDGLOUKML-UHFFFAOYSA-N 351.362 2.511 0 50 FFAA COc1ccc2[nH]c(CNC(=O)c3cc4n(n3)CCN(C(C)C)C4)cc2c1 67867946 PALVMDFICGOKLU-UHFFFAOYSA-N 367.453 2.527 0 50 FFAA COC1(c2nc(Cc3ccccc3)no2)CCN(C(=O)CC2CC2)CC1 284444718 LWTVHFMIVWSRPN-UHFFFAOYSA-N 355.438 2.925 0 50 FFAA Cc1c(CN(C)C(=S)Nc2cnn(Cc3cccc(F)c3)c2)cnn1C 2802149 FGOXKBZQTXMHAL-UHFFFAOYSA-N 372.473 2.941 0 50 FFAA O=C(CCC(=O)c1ccccc1)NCc1csc(-c2ncccn2)n1 219813455 GYTPGNYBKIAMRW-UHFFFAOYSA-N 352.419 2.879 0 50 FFAA Cc1cccc(N2CCC3(CCCN3Cc3cnc(N(C)C)nc3)CC2)n1 72458160 LJNTUXGLVLMJHC-UHFFFAOYSA-N 366.513 2.881 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 334056197 VLSPEKHMJSUUCH-OIISXLGYSA-N 374.872 2.952 0 50 FFAA CCc1nc(CNC(=O)C[C@@H]2COCCN2Cc2ccc(C)o2)cs1 72478582 HDXXCKPVGIYDIV-OAHLLOKOSA-N 363.483 2.514 0 50 FFAA COc1cccc(CCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1 72474745 IAQLHEXYYNHBTF-QGZVFWFLSA-N 360.498 2.587 0 50 FFAA O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(C(=O)O)nc1 238008846 SZIHNADYUZIESE-UHFFFAOYSA-N 374.824 2.911 0 50 FFAA O=C(O)c1cc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77437888 LHQLYDCOSHBJKA-HXUWFJFHSA-N 357.454 2.931 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)CCC(C)C)C2)cc(N2CCOCC2)n1 72473528 UXANVPMMADZXMG-KRWDZBQOSA-N 360.502 2.764 0 50 FFAA CC1(C)C[C@H](NC(=O)N2CCC(c3nnc[nH]3)CC2)c2ccccc2O1 121133167 ZYLQUIRRMLTCAV-HNNXBMFYSA-N 355.442 2.996 0 50 FFAA O=C(O)[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncnc3[nH]cnc23)C1 71776909 ZOQZNTOVFJLKAW-SFHVURJKSA-N 371.828 2.920 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)N2Cc3ccccc3C3(CC3)C2)cnn1C 370393120 ALDIXCCURVGGTM-LPHOPBHVSA-N 351.450 2.880 0 50 FFAA Cc1nc([C@@H](NC(=O)/C=C/c2ccco2)c2ccc3c(c2)OCCO3)no1 371010007 QHXSAESHIPGRTG-FZMUQLTDSA-N 367.361 2.661 0 50 FFAA Cc1cnc(CN(C)Cc2ccccc2OCC(=O)N2CCC(C)CC2)[nH]1 216318194 HKZCJUHPTMPEOP-UHFFFAOYSA-N 370.497 2.987 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2OC)n1C 372850199 ZBGGKHBIUWNDGO-MRXNPFEDSA-N 355.438 2.761 0 50 FFAA Cn1c2c(cc(C(=O)NCCOCc3ccc(Cl)cc3)c1=O)CCCC2 215297620 IXOXLBNNHFEUGY-UHFFFAOYSA-N 374.868 2.864 0 50 FFAA Cc1nc(N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c2c(C)c(C)sc2n1 378001102 YXFXDEIDBCVEDH-IOASZLSFSA-N 360.483 2.855 0 50 FFAA O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CC(Cc2ccccc2)C1 378501733 WNVZXCZTSNWKAU-QFIPXVFZSA-N 364.489 2.886 0 50 FFAA O=C(O)c1cc(C2=CCCCC2)cc(S(=O)(=O)NC[C@@H]2CCCO2)c1 71770975 NJKSDPKTGPPKAD-INIZCTEOSA-N 365.451 2.800 0 50 FFAA O=C([C@@H]1CCN(c2ccccc2F)C1)N1CCC(Nc2cccnn2)CC1 290173567 FHCCBGQROUYSFV-OAHLLOKOSA-N 369.444 2.545 0 50 FFAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)c2ccc(Br)cc2n1 178259001 XSUNORDWGRYGHI-JTQLQIEISA-N 363.211 2.852 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)NC2(c3ccccc3)CC2)CC1 426389518 VTMYIRGSLQYMEN-FQEVSTJZSA-N 370.541 2.877 0 50 FFAA Cc1ccc(C(=O)N(C)[C@@H]2CCNC2)cc1NC(=O)c1ccccc1F 179090729 QWGYSJFYZAYBSU-OAHLLOKOSA-N 355.413 2.820 0 50 FFAA O=C(NC[C@]1(O)CCc2ccccc21)Nc1cccnc1N1CCCC1 179260148 UHTDMZYWEXXTAI-HXUWFJFHSA-N 352.438 2.637 0 50 FFAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 82156493 GKXUYGBNOSHTSK-ROUUACIJSA-N 364.424 2.969 0 50 FFAA Cc1ccc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)cc1OCCN 426489320 FULUHIFHHFNKIT-UHFFFAOYSA-N 371.456 2.870 0 50 FFAA CCc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)csc1C 91441100 SKYMXKFCGJRRKD-HZPDHXFCSA-N 350.528 2.785 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 95381346 XXWHZDGEVPGVKT-AWEZNQCLSA-N 358.405 2.707 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)nc2c1CCCC2 95497928 XACMMVBCTJQZGW-INIZCTEOSA-N 351.450 2.574 0 50 FFAA Cc1csc2c(N3CCC(NCCc4ccnn4C)CC3)ncnc12 95527464 SKLAMFZQGUAXDE-UHFFFAOYSA-N 356.499 2.534 0 50 FFAA Cc1nnc(SCCCNC(=O)N2CCOc3ccccc3C2)s1 426434163 VILQOSJCFXAWHW-UHFFFAOYSA-N 364.496 2.933 0 50 FFAA COCCn1cncc1CNC(=O)N(C)[C@@H](C)c1nc(C)sc1C 426599495 FNNQIBIJGVRMST-NSHDSACASA-N 351.476 2.505 0 50 FFAA Cc1nc(C)c(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 92077261 NMTUMZBNQSUAJD-IBGZPJMESA-N 361.511 2.554 0 50 FFAA COc1ccc(F)c(F)c1CN1CCC(n2cc(C(C)(C)N)nn2)CC1 23541626 HATMVYSFVSDICX-UHFFFAOYSA-N 365.428 2.596 0 50 FFAA c1ccc(-n2cncn2)c(Cn2cc(-c3ccc(-c4cc[nH]n4)o3)nn2)c1 91694046 LFRLCPWSTKBBCN-UHFFFAOYSA-N 358.365 2.557 0 50 FFAA COc1ccc2c(C)c(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)oc2c1 91424967 VIVWVXUMGKHSRE-KRWDZBQOSA-N 364.401 2.802 0 50 FFAA CN(Cc1ccc2nccnc2c1)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 91574579 LOBBOQUYDHKULT-HNNXBMFYSA-N 364.380 2.853 0 50 FFAA CN1CCC(n2nc(-c3ccccc3)nc2CSc2nncn2C)CC1 96137742 GIOYCLVMEFCTPA-UHFFFAOYSA-N 369.498 2.633 0 50 FFAA COc1cccc2c1OCCCN(C(=O)Nc1cccn3nc(C)nc13)C2 97547488 GOMLERYXKYERTO-UHFFFAOYSA-N 367.409 2.863 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)no1 95529189 HDHSSOWZNCGFIT-AWEZNQCLSA-N 369.343 2.917 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCc2ccc(F)cc2F)C[C@H]1NC(=O)N(C)C 92028137 ZFTUPDWVPUJJQY-DOTOQJQBSA-N 367.440 2.652 0 50 FFAA CCCN1C(=O)N[C@H](CC(=O)N(Cc2ccc(C)cc2)C2CCCC2)C1=O 244852689 UWTNVTHBGXZIBF-GOSISDBHSA-N 371.481 2.987 0 50 FFAA COc1ccc(C)cc1NC(=O)CCN1CCC(Cc2noc(C)n2)CC1 241081907 YSFUBUOWLZMKFM-UHFFFAOYSA-N 372.469 2.978 0 50 FFAA Cc1ccc2c(CC(=O)NC3(c4ncon4)CCOCC3)coc2c1C 184050323 MUTQUDCXGAYIKJ-UHFFFAOYSA-N 355.394 2.797 0 50 FFAA Cc1oc(CN(C)C(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(=O)O 299751343 QLSZGFGKVKIEIQ-UHFFFAOYSA-N 370.405 2.681 0 50 FFAA CN1C(=O)C[C@H](C(=O)N[C@@H](CC(=O)O)c2cccs2)c2ccccc21 299746325 WQUOUMIJEYJKJL-STQMWFEESA-N 358.419 2.530 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1coc(-c2ccccc2)n1 299747010 BUOHDJLWJZATGM-SFHVURJKSA-N 362.385 2.922 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cn2)n1 299742338 BFRDHTVWBXNBED-OIISXLGYSA-N 368.437 2.742 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C(=O)O 185317150 NKEILEYWIPSLQD-DAYGRLMNSA-N 362.470 2.525 0 50 FFAA OC[C@@H]1CCCN(CCNC2CCN(c3ccccc3Cl)CC2)C1 65508491 YWWMVPQRLGMOBR-MRXNPFEDSA-N 351.922 2.603 0 50 FFAA Cc1ccc([C@@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c(C)c1 299790942 DKXDXFIZONVKBJ-QFIPXVFZSA-N 366.509 2.542 0 50 FFAA COc1ccc(Cc2nc([C@H]3CC(=O)N(c4ccc(O)cc4)C3)n[nH]2)cc1 824674646 WWTQMVHTDYJCDH-AWEZNQCLSA-N 364.405 2.630 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NC[C@@H]2CCN(C(C)(C)C)C2)no1 584891431 GYOZYLQNSZDTJS-AWEZNQCLSA-N 351.495 2.530 0 50 FFAA CN(C)c1ccc(CCNC(=O)N2CCC(O)(c3ccccc3)CC2)cc1 584903630 DSMZSEOBTACJJI-UHFFFAOYSA-N 367.493 2.988 0 50 FFAA CNC(=O)[C@@H]1C[C@H](C)CN(C(=O)NCCc2ccccc2C(F)(F)F)C1 1875288741 APIKXVFJJVBTAL-GXTWGEPZSA-N 371.403 2.662 0 50 FFAA O=C(c1ccco1)N1CCC[C@@H]2CN(c3ccc4nccnc4n3)CC[C@H]21 1875280515 QVVZMUTYBNULHI-GDBMZVCRSA-N 363.421 2.749 0 50 FFAA Cn1nc(-c2ccccc2)cc1CNC(=O)NC1CCC(C(=O)O)CC1 1875291748 KFMGAZVQYJMLGC-UHFFFAOYSA-N 356.426 2.530 0 50 FFAA C[C@H]1CCCN(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)C1 1875270080 BMJQUFLYVADTJX-INIZCTEOSA-N 353.470 2.731 0 50 FFAA CCn1nc2c(c1C(=O)NC1CCC(O)(C(C)C)CC1)C[C@H](C)O[C@@H]2C 1875314210 NAFJRQFBJBNRAS-CDOZLARXSA-N 363.502 2.985 0 50 FFAA CNC(=O)c1cc(Oc2cccc(OC[C@@H]3C[N@]3CC3CC3)c2)ccn1 1875385207 OIJGYOVCTQURLL-WNSKOXEYSA-N 353.422 2.707 0 50 FFAA N[C@@H](Cc1n[nH]c2ccccc12)C(=O)NCc1ccc2c(c1F)CCCC2 1875301819 RGXGQSHIQCEWDS-KRWDZBQOSA-N 366.440 2.767 0 50 FFAA O=C(NCC[C@H](O)COCc1ccccc1)c1ccc(-n2ccnc2)cc1 1875350079 ZUCPJDUZJOYMDA-FQEVSTJZSA-N 365.433 2.570 0 50 FFAA Cn1cc(-c2nc(-c3ccc(OC[C@H]4C[N@]4CC4CC4)cc3)no2)cn1 1875385579 WTWHFKGRTRVUGP-GYCJOSAFSA-N 351.410 2.610 0 50 FFAA O=C(NCc1ccc(F)cc1Cl)[C@H]1CC(=O)N(Cc2cccnc2)C1 952869906 PBQXINUJSGYHRI-AWEZNQCLSA-N 361.804 2.539 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)Cc1cnc3c(C)cccn13)OCCO2 952977335 ANDPGFFPWXVHJL-UHFFFAOYSA-N 365.389 2.798 0 50 FFAA O=S(=O)(c1sccc1F)N1CCOC[C@H]1c1cc(F)cc(F)c1 888093010 XEXBJZWVVVLROH-ZDUSSCGKSA-N 363.382 2.928 0 50 FFAA NCc1ccc2nc(C(=O)N3CCC[C@H]3COc3ccc(F)cc3)cn2c1 1343021935 NLWLSTLXGHQSCD-INIZCTEOSA-N 368.412 2.616 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(Cl)cc1O 1565507322 WHCXNDNGMXEGSE-DOMZBBRYSA-N 362.857 2.909 0 50 FFAA COc1cccc(OC)c1S(=O)(=O)N[C@@H]1CCc2cc(F)ccc21 186407533 KXNBCAVSRUDETP-CQSZACIVSA-N 351.399 2.809 0 50 FFAA Cc1occc1C(=O)NC1CCN(C[Si](C)(C)c2ccccc2)CC1 170596443 AMQZRIWNSCBNFI-UHFFFAOYSA-N 356.542 2.937 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1C[C@H]1c1c(F)cccc1F 170644395 AYRQSAUJJWLZRS-MNOVXSKESA-N 364.421 2.642 0 50 FFAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 191039952 NRNDVGWXMKDKLT-DZGCQCFKSA-N 356.426 2.653 0 50 FFAA O=C(CCc1cccc(O)c1)NC[C@H]1CN(Cc2ccccc2)CCCO1 1349701837 GGTJYSRMZDTYNM-NRFANRHFSA-N 368.477 2.732 0 50 FFAA CN(CC1CCOCC1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12075301 ZAUGNDRZYUQJJX-QGZVFWFLSA-N 350.503 2.833 0 50 FFAA Cc1noc(C)c1CCCNC(=O)c1ccc(N[C@@H]2CCSC2)nc1 14979204 ASKKXVYQONAYIP-OAHLLOKOSA-N 360.483 2.966 0 50 FFAA CN(C)C(=O)c1cc2n(n1)C[C@H](c1ccc(Br)cc1)OC2 169759600 YIVLDDKEVONPRE-CQSZACIVSA-N 350.216 2.619 0 50 FFAA c1cnc2c(OC[C@@H]3CC4CCN3CC4)ccc(CN3CCOCC3)c2c1 1857686551 BFKLIGVLOIYNPG-IBGZPJMESA-N 367.493 2.930 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(N4CCNC4=O)c3)c2n1 1857692699 PZAIGNMUKSUJEC-UHFFFAOYSA-N 373.420 2.728 0 50 FFAA Cc1ocnc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857718042 LMUOLXNWJXSVJM-OWCLPIDISA-N 361.829 2.581 0 50 FFAA CCCCn1nc(-c2ccc(F)c(F)c2)nc1[C@H]1CC[C@@H](O)[C@H](N)C1 1857718420 INNHNZAPJGRKMD-APHBMKBZSA-N 350.413 2.979 0 50 FFAA O=C(c1ccc(Cl)cn1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857721217 FMVWVIVKQLSDJF-KUHUBIRLSA-N 367.836 2.959 0 50 FFAA Cc1sc(=O)n(CC(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c1C 117825802 VQEBNPXPIKHCEJ-KRWDZBQOSA-N 359.495 2.956 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C1 237391478 CZNZOATXNFKFSO-GOSISDBHSA-N 374.828 2.735 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 128530190 UUEAHJYXOPXGJN-CYBMUJFWSA-N 362.426 2.739 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCOCC1 238069558 XEUOFGUYUYJKCA-KGLIPLIRSA-N 353.365 2.551 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)s2)c(C)c1 148397493 KCBJXGDAACUQRQ-KRWDZBQOSA-N 364.492 2.734 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)nc(-c2ccc(Cl)cc2)n1 151581488 IFAHVBXSTUCUCV-OAHLLOKOSA-N 372.856 2.845 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccnc2)[C@H](c2ccccc2)C1 837230757 GBJNPFXFZBIOCD-KRWDZBQOSA-N 370.453 2.704 0 50 FFAA COc1ccc(-c2nnc3n2Cc2ccccc2OC3)c(OC)c1OC 2100477087 DMMUIJABLHPXTA-UHFFFAOYSA-N 353.378 2.912 0 50 FFAA O=C([C@H]1CCOc2ccccc21)N(Cc1ccccn1)C1CCNCC1 2325774797 UODRBDOYFDQDOW-IBGZPJMESA-N 351.450 2.729 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(CC[C@@H](C(F)F)N2CCOCC2)C3)cc1 2325803852 GNWSGNQZKATHKF-CMKODMSKSA-N 350.453 2.924 0 50 FFAA O=C1CCCN1c1ccc(C(=O)N2CCC[C@H]2c2cccnc2O)cc1 2325816838 CIWTYWGMEKHQQR-KRWDZBQOSA-N 351.406 2.891 0 50 FFAA O=C(Cc1ccc2c(n1)NCCC2)N[C@@H]1COc2cc(Cl)ccc2C1 2325850749 GXACACJGTMALAB-INIZCTEOSA-N 357.841 2.756 0 50 FFAA COc1ccc(-c2cn(Cc3cc(=O)n4ccsc4n3)nn2)cc1Cl 2325860552 LEEZWFVNXXOAOF-UHFFFAOYSA-N 373.825 2.725 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(O)c2Br)C1 2325889236 GXSAYCXBYRHLCG-SNVBAGLBSA-N 353.216 2.518 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)CCn2cnc3ccccc32)C1=O 2356149313 ULUPHJWSHOSFAV-OAQYLSRUSA-N 368.481 2.820 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 2859169 GNIPDJDIZRFDOQ-MRXNPFEDSA-N 361.492 2.698 0 50 FFAA COC(=O)CCCN1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356167773 BIBRNQDVSBQCTC-NRFANRHFSA-N 358.482 2.639 0 50 FFAA Cc1ccccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3877782 WMZLQRPPHHJSHY-UHFFFAOYSA-N 357.435 2.594 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C 4760126 XISNUVNLGJKNIK-CWRNSKLLSA-N 364.442 2.553 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 8477106 HYLZYKQXVJIWTJ-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA CCc1c(C)sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C(=O)OC 100631036 GAWNZIMNXARRSY-UKJIMTQDSA-N 363.435 2.867 0 50 FFAA O=C(Nc1cccc2c1OCCO2)C(=O)N1CCC[C@]2(CC=CCC2)C1 114615823 QRGASHBVFZZNCY-HXUWFJFHSA-N 356.422 2.745 0 50 FFAA CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 246060362 GJOUCPODOIJHBS-YWPYICTPSA-N 353.260 2.569 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccco1 65371637 HEJHXIJIERJAIW-LJQANCHMSA-N 351.406 2.818 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCC(Cc3nncn3C)CC2)c1 67975070 COQAUKQOXPZCDE-UHFFFAOYSA-N 364.453 2.609 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cnn(C)c2)nc1 67774050 ZTQFCIGMRHZVIN-UHFFFAOYSA-N 352.442 2.622 0 50 FFAA COc1ccc(C[C@H]2CN(Cc3cccn3-c3ncccn3)CCO2)cc1 20537816 DNYDDKYSYMIFNX-FQEVSTJZSA-N 364.449 2.719 0 50 FFAA Cc1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)s1 67803916 KKEVPAMMRYIDRH-OAHLLOKOSA-N 367.465 2.799 0 50 FFAA CN(c1ncccc1CNC(=O)C(=O)c1cccnc1)C1CCCCC1 67643271 BBPZOIKQOVXVBC-UHFFFAOYSA-N 352.438 2.745 0 50 FFAA Cc1cc(C)nc(CNc2nc(-c3ccncc3)nc3c2c(C)nn3C)n1 72418448 UFGGDZQKZFXRJS-UHFFFAOYSA-N 360.425 2.753 0 50 FFAA CC(C)OC(=O)c1cc(NC(=O)CCC(=O)O)cc(C(=O)OC(C)C)c1 4651256 SXZKHYRUWUZFRN-UHFFFAOYSA-N 365.382 2.620 0 50 FFAA O=C(NC[C@]1(O)CCCNCC1)c1sc2cccc(F)c2c1Cl 72151762 YPJQOTMQSFOQDG-INIZCTEOSA-N 356.850 2.928 0 50 FFAA NC[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 428516474 MSPAJLYRCDCVTF-NSHDSACASA-N 370.350 2.841 0 50 FFAA O=C([C@@H]1CCCCO1)N1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 216020186 CYSHHDIESPWKCF-IBGZPJMESA-N 370.449 2.807 0 50 FFAA Cn1ncc2c(N3CCN(C4CCCC4)C(=O)C3)nc(C3CCCC3)nc21 72454615 JDJJEUDWFCXPPK-UHFFFAOYSA-N 368.485 2.612 0 50 FFAA O=C(N[C@H]1COC2(CCNCC2)C1)c1ccc2[nH]c3c(c2c1)CCCC3 215393613 DUAHDWGBKLDSFB-OAHLLOKOSA-N 353.466 2.688 0 50 FFAA CC[C@H]1c2ccsc2CCN1C(=O)CN1C(=O)CC2(CCCC2)C1=O 329255909 CRQGEXMKJGBZNM-AWEZNQCLSA-N 360.479 2.903 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CCO2)c1 151522809 ONXFHKVSFIIWIN-WBVHZDCISA-N 360.433 2.811 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4cccc(OC)c4)ccc3n2n1 38783699 FFJRVGCEHMRILV-UHFFFAOYSA-N 353.407 2.549 0 50 FFAA CCCn1ncc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1C1CC1 152718876 BDWMZLREFACJFN-UHFFFAOYSA-N 368.485 2.702 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N(C)[C@H]3CCCc4c3cnn4C)cc2)o1 154499122 ZZYHJOKFUPRIRF-INIZCTEOSA-N 351.410 2.928 0 50 FFAA CCn1ccnc1[C@H](NC(=O)c1cccc2nc[nH]c12)C1CCOCC1 367493493 RQVUVHKFAPZKPM-MRXNPFEDSA-N 353.426 2.677 0 50 FFAA COC(=O)c1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)cc1 77385376 AEHSBRCUNBPZPG-IBGZPJMESA-N 352.434 2.602 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc2nnnn2c1 72426357 RQWHCRJWSUXRKE-UHFFFAOYSA-N 350.407 2.520 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CCNC(=O)C[C@@H]2C)c1 371047861 FRGGIWHUEXQPMZ-AWEZNQCLSA-N 353.422 2.789 0 50 FFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H]1NCCc2[nH]cnc21 72424870 ONNXFIOMNFVCEU-HXUWFJFHSA-N 361.449 2.529 0 50 FFAA CC[C@H](Sc1nc2ccccc2o1)C(=O)NCc1nnc2n1CCC2 219764950 ZPKHKWNEPAVIOM-ZDUSSCGKSA-N 357.439 2.553 0 50 FFAA O=C(CN1CC[C@H](O)c2ccccc2C1)Nc1ccnn1C1CCCC1 374805448 IURJPDBEAWDMRF-SFHVURJKSA-N 354.454 2.876 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1 72427154 XLGKIMVTUMOOAU-IBGZPJMESA-N 360.498 2.911 0 50 FFAA COc1cc(CN2CCC[C@@H](C(=O)c3nccn3C)C2)cc(Cl)c1O 77536102 RPPIBOABHFNUJQ-CYBMUJFWSA-N 363.845 2.883 0 50 FFAA O=C(c1cc2nccnc2cc1F)N1CC[C@H](c2nc(C3CC3)no2)C1 375549045 PBOQEJLKFCXQJI-NSHDSACASA-N 353.357 2.659 0 50 FFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1C(=O)O 262694952 AZCBUWZYRWKUJE-AWEZNQCLSA-N 359.426 2.560 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 77287431 ALDPZIDFWAEIBK-KRWDZBQOSA-N 368.481 2.938 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)[C@H](C)N4CCCC4=O)CC3)nc12 82083423 RXWXVRBCIPGDTP-AWEZNQCLSA-N 354.454 2.588 0 50 FFAA COc1cccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2=O)c1 82097063 WPCITLZDLMGUPT-RBUKOAKNSA-N 350.418 2.674 0 50 FFAA O=C(NCCCN1CCCc2ccccc21)NC[C@H](O)c1cccc(O)c1 426578610 NWORAGCDMNJEBQ-FQEVSTJZSA-N 369.465 2.568 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cn1ccnc1-c1ccccc1 223702669 XRUBQJHCTYZMDS-MOPGFXCFSA-N 369.465 2.807 0 50 FFAA CC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)c1 426706005 ZUZVAUAVWFQKEF-GOSISDBHSA-N 354.381 2.704 0 50 FFAA CN(C)CCCC(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82093076 JKWUXOSQBKRHKV-LJQANCHMSA-N 354.498 2.979 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 146971896 IUYSPNIBBYIFDY-INIZCTEOSA-N 361.442 2.565 0 50 FFAA CS(=O)(=O)N1CCCC[C@@H]1CCNC(=O)Nc1ccccc1C1CC1 96161016 JCSVKLCEXSOLIV-OAHLLOKOSA-N 365.499 2.890 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@@H](N)[C@H](c3ccccc3F)C1)CO2 333339533 XTEXPXFZFLDDMK-YQVWRLOYSA-N 354.425 2.872 0 50 FFAA CCC(=O)N1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 95531302 OEZZVOMAQCDCFW-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA COCCc1nc([C@@](C)(N)Cc2ccccc2)n(-c2cccc(C)n2)n1 97653950 SUYDJHPCDJVVRV-FQEVSTJZSA-N 351.454 2.576 0 50 FFAA COc1ccc(Cn2cc([C@H](C(=O)O)N(C)Cc3ccoc3)cn2)cc1 95352529 HYPVRSYDYKWCEL-GOSISDBHSA-N 355.394 2.791 0 50 FFAA CCc1c(C)nc(C)nc1N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95505294 IMPJTVLDVCVWMQ-GOEBONIOSA-N 371.510 2.740 0 50 FFAA C[C@H](c1cnn(-c2ccc(F)cc2)c1)n1cc(-c2ccc(CO)o2)nn1 91819401 OGURVMOVYYQUNG-GFCCVEGCSA-N 353.357 2.965 0 50 FFAA O=C(COc1cccc(Cl)c1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91504334 XZRVZLKDHKYDJT-GOEBONIOSA-N 372.856 2.636 0 50 FFAA CC(C)(C)OC(=O)N1CCN([C@H](Cc2ccc(Cl)cc2)C(=O)O)CC1 526056010 TVCKYHKNEULKGU-OAHLLOKOSA-N 368.861 2.888 0 50 FFAA c1cnc(N2CCC(NCCc3csc(-c4ccncc4)n3)CC2)nc1 95497818 MYDAYNNIMXPLEF-UHFFFAOYSA-N 366.494 2.796 0 50 FFAA O=c1cc(CN2CCCC[C@@H]2CCc2ccccn2)nc2c(O)cccn12 244794716 QSHHLFFBZODCTF-GOSISDBHSA-N 364.449 2.782 0 50 FFAA O=S(=O)(Cc1ccccc1F)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244899316 ZHSCTCWKCYZJHH-DVOMOZLQSA-N 355.456 2.819 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)nc21 1940196188 QIYLYHVRTRYJGF-QGZVFWFLSA-N 350.422 2.790 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCN3CCN(C)C[C@H]3C2)cc1 299778560 PVUFKAJTYBFHOM-NRFANRHFSA-N 363.505 2.658 0 50 FFAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NC1CCN(S(=O)(=O)c2ccccc2)CC1 299765237 KSFXHYKOMACSTF-IKGGRYGDSA-N 374.506 2.558 0 50 FFAA O=C1CC[C@H](NCc2n[nH]c3c2CCCCC3)CN1Cc1ccccc1 828256395 DMNFHCCWFNMHLP-KRWDZBQOSA-N 352.482 2.959 0 50 FFAA O=C1C[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)C2(CCCCC2)O1 828244576 RIZNDWRSHDPYAY-KRWDZBQOSA-N 372.465 2.723 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cnc2ccccc2c1 1565510184 LGFAPRWVFGLYHJ-ROUUACIJSA-N 369.446 2.795 0 50 FFAA CN1CCC([C@@H]2CCN(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)CC1 270084700 AXVSLHSEWNNTOW-GOSISDBHSA-N 368.485 2.522 0 50 FFAA CC(C)C[C@H](CO)N(C)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 185365410 IPVJXBODPLBMIG-VQTJNVASSA-N 361.530 2.599 0 50 FFAA CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cnc(Cl)s2)C1 779894445 ZYPQKLXVUMQFKY-CQSZACIVSA-N 356.904 2.799 0 50 FFAA CC1(C)CC(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)CC(C)(C)N1 1615736550 LVVMOJWLOJEIHG-ROUUACIJSA-N 359.514 2.702 0 50 FFAA O=C(Cc1cccs1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1615709659 ZSYFEHQDWSQSLO-KXBFYZLASA-N 352.459 2.901 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)Cc3cc(C)no3)CC1)OCC2 1704298869 LAROZCXAOLSEIV-UHFFFAOYSA-N 356.422 2.625 0 50 FFAA Cn1ccc(C2CCN(CCC(=O)NC3CCCCCC3)CC2)cc1=O 1772816481 NHTWVXROXPAFLU-UHFFFAOYSA-N 359.514 2.794 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772708296 BNDKBWVVGHAPIL-HNNXBMFYSA-N 358.825 2.532 0 50 FFAA COc1cccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)C(N)=O)c1 11842453 WNNFJULQHNZGIA-AWEZNQCLSA-N 350.422 2.511 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)n[nH]1 12200553 XTWKKJGKCZJJFJ-OAQYLSRUSA-N 352.482 2.889 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)CC[C@]2(C)CCC(=O)N2)CC1 12243515 MDDFCZRIUCCMRH-IBGZPJMESA-N 363.889 2.746 0 50 FFAA O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NC1CCCC1 12390792 LJZHBFRNUBUBKI-UHFFFAOYSA-N 374.872 2.948 0 50 FFAA O=C(/C=C/c1cccc(F)c1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1F 12455699 NAEZVQTXQMSRPZ-CLGUQGEQSA-N 354.356 2.994 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C1CCSCC1)CC2 14741996 YOMQWTUOGVOGCH-UHFFFAOYSA-N 373.522 2.811 0 50 FFAA CCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 16626816 ACDWAHGPKRZHQT-UHFFFAOYSA-N 352.500 2.710 0 50 FFAA Cc1ccc(-c2csc3ncc(C(=O)NC[C@H]4CCCO4)c(=O)n23)cc1 16651821 RQLCLZWPWKWCPP-CQSZACIVSA-N 369.446 2.640 0 50 FFAA COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCc2ccccc21 16651852 DEZZYIRMERSPII-UHFFFAOYSA-N 374.462 2.539 0 50 FFAA Oc1[nH]c(=S)nc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 18177614 YXRORORPMLIQIE-UHFFFAOYSA-N 360.464 2.933 0 50 FFAA O=C(/C=C\c1ccccc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779844 YYPRURLXTRRXBR-QXMHVHEDSA-N 374.444 2.980 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cccc2c1NCCC2 223122437 DXZBGUSRRXQVTK-HHXXYDBFSA-N 351.450 2.552 0 50 FFAA CN(C)C(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(Cl)cs1)C2 1857531728 VICNEUCAXVDMDS-MKPLZMMCSA-N 365.842 2.719 0 50 FFAA Cc1nc(-c2ccc3nc(CC(C)C)n(CCCN)c3c2)n(C[C@H](C)O)n1 1857676370 RPRYRKSJTPEWMJ-AWEZNQCLSA-N 370.501 2.531 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857680558 KWYWUYBNAMQSKA-UHFFFAOYSA-N 354.360 2.991 0 50 FFAA CCn1cc(C(=O)NCc2nc(-c3ccc(O)c(OC)c3)oc2C)cn1 1857687903 KZKCXOHOIQNJDR-UHFFFAOYSA-N 356.382 2.511 0 50 FFAA CN(C)CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857734947 ZSQQCNSZQMYWKH-VQTJNVASSA-N 368.433 2.618 0 50 FFAA O=C([C@H]1CC12CCS(=O)(=O)CC2)N1C[C@H](c2ccccc2)C2(CCC2)C1 333995780 NKTATHUWIFGUSV-QZTJIDSGSA-N 373.518 2.998 0 50 FFAA COc1cccc([C@H]2CN(Cc3cc(C(C)=O)cn3C)C[C@@H]2C(=O)O)c1 248111878 HLZPZSHVYXYACW-MOPGFXCFSA-N 356.422 2.537 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)ccn1 779855783 OALIXJUZWHFCIA-NILFDRSVSA-N 360.414 2.553 0 50 FFAA O=C(COc1ccccc1OCC(F)(F)F)N1CC[C@]2(CCOC2)C1 153088369 IPGKLUFBWIXTHS-INIZCTEOSA-N 359.344 2.646 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N1CCOC[C@@H]1c1ccccc1 1875264142 SVIBMUVHCHLMGL-MRXNPFEDSA-N 357.410 2.596 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@@H]3CCCC[C@H]3n3cccn3)CC2)CC1 1875385861 DDUAHIIDTNJJHT-QZTJIDSGSA-N 370.497 2.688 0 50 FFAA C[C@]1(c2ccc(C(=O)N3CCCC[C@H]3CCn3ccnn3)cc2)CCO1 1875318035 BDJJJJBQFXRCKT-AZUAARDMSA-N 354.454 2.999 0 50 FFAA C=CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cc1csc(C(C)(C)C)n1 1875386787 YSIAATBFHOLZQU-UKRRQHHQSA-N 363.527 2.960 0 50 FFAA O=C(NCCOc1c(F)cccc1Cl)[C@H](NC1CC1)c1cccnc1 1875322194 LJZVPELWBRYCJQ-MRXNPFEDSA-N 363.820 2.862 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)/C=C/c1sccc1Br 1875311184 PGZAJYBNSLKUFU-GDQNOWEOSA-N 356.241 2.988 0 50 FFAA CSC[C@@H](C)C(=O)NCc1cn(-c2cccc(C(F)(F)F)c2)nn1 1875354620 YOUSMQKGYJZWBJ-SNVBAGLBSA-N 358.389 2.901 0 50 FFAA C[C@@H](NC(=O)N1CCOC2(CCS(=N)(=O)CC2)C1)c1ccc(F)cc1 1875395326 AUXBZUVBZMABCE-MBQZRVLWSA-N 369.462 2.508 0 50 FFAA O=C(N[C@H](C[C@H]1CCCCN1)C(F)(F)F)c1conc1[C@@H]1CCCO1 1875404844 XZFWYGJHENXIPS-KGYLQXTDSA-N 361.364 2.719 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)N1CCCc2ccccc21 1059899 PDXWXBYZLSUETN-UHFFFAOYSA-N 351.435 2.734 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(Cc2c[nH]c(=N)s2)CC1 2100539761 XHFKKLQYMFAREB-UHFFFAOYSA-N 373.526 2.829 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 2240435 VUXVLPHCLJQPSJ-UHFFFAOYSA-N 374.418 2.617 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CN[C@H]3CCCC[C@H]23)c1Cc1ccccc1 2325795498 IRKQDQAFGFKFKM-SCTDSRPQSA-N 352.482 2.519 0 50 FFAA C[C@]1(CNc2ccc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cn2)CC=CCC1 2325825400 OUKCHOVIMOTHHE-LEWJYISDSA-N 368.481 2.592 0 50 FFAA CC[C@H]1C[C@@H]1C(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867849 HKUQJFBSYVFDDM-BBRMVZONSA-N 359.470 2.543 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2NC(=O)N2CCCC2)CC1 2325884131 IHAKMKIGZDIFJO-UHFFFAOYSA-N 370.453 2.677 0 50 FFAA CCN1CCN(c2ccc(CN[C@H](C)c3cn4c(n3)CCCC4)cn2)CC1 924689852 LMXIHUPCDDIURQ-QGZVFWFLSA-N 368.529 2.607 0 50 FFAA Cc1ccc2c(c1)C(=O)CC1(CCN(c3ncnc4c3cnn4C)CC1)O2 1857797843 ZQTAEDXAJQHYJB-UHFFFAOYSA-N 363.421 2.676 0 50 FFAA c1ccc(-n2nnnc2-c2ccc(-c3nnnn3-c3ccccc3)cc2)cc1 756497 QMBXMSHDNGQIME-UHFFFAOYSA-N 366.388 2.972 0 50 FFAA O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 784729 IJIGNCHXZOJKQL-LJQANCHMSA-N 371.396 2.928 0 50 FFAA Cc1ccccc1NC(=O)c1sc2ncn([C@H](C)C(=O)O)c(=O)c2c1C 958445 SSRZDNMJRDPYIF-LLVKDONJSA-N 371.418 2.973 0 50 FFAA COc1ccc(CCNC(=O)c2nc(SC)ncc2Cl)cc1OC 1068105 YPXPNPJYCZULOJ-UHFFFAOYSA-N 367.858 2.842 0 50 FFAA Cc1ccc2c(C)cc(N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)nc2c1C 2356137161 HPJJWNQBQXXJLQ-LAUBAEHRSA-N 353.466 2.627 0 50 FFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@H]1CCCCNC1=O 132576854 DCQWLRYLDFCSQQ-MCIONIFRSA-N 370.371 2.816 0 50 FFAA Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 2940950 VOGJMHUGYPCCNV-HXUWFJFHSA-N 350.462 2.745 0 50 FFAA CCOC(=O)C(CCOCCOc1cccc(CC)c1)C(=O)OCC 4845064 FMAFAIDQSUFQMT-UHFFFAOYSA-N 352.427 2.777 0 50 FFAA Cc1c(C(=O)N2CCNC(=O)C2(C)C)sc2nc(C(F)(F)F)ccc12 110708362 FDGZSYJJLRLDIH-UHFFFAOYSA-N 371.384 2.974 0 50 FFAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCN(c2ncccn2)CC1 20598256 FVKYXYWZCONXKF-QGZVFWFLSA-N 361.449 2.727 0 50 FFAA Cc1ccc(C)c(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c1 67629714 KRLXMHSQPKGUGR-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](C)C2)cc1OC1CCN(C(C)=O)CC1 20598831 NZKIJGYFNGEBPV-HNNXBMFYSA-N 374.481 2.957 0 50 FFAA O=C(CCc1c[nH]cn1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67688413 FFRLQUVTUTXIPY-UHFFFAOYSA-N 364.405 2.531 0 50 FFAA CC1(C)CC(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c(=O)[nH]c2C1 35506336 DUQCRHNOFQRIGK-UHFFFAOYSA-N 368.389 2.554 0 50 FFAA c1ccc2c(c1)OC[C@H](c1nn3c(CN4CCCCC4)nnc3s1)O2 39389271 PBJVENGSORBTPR-CQSZACIVSA-N 357.439 2.684 0 50 FFAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCS[C@@H]2CCCC[C@H]21 170656852 PMTQRYJXNAMOOZ-ZIAGYGMSSA-N 361.492 2.712 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCNC(=O)[C@@H]2Cc2ccccc2)cc1 72435683 GMFRLVSAECAVJK-NRFANRHFSA-N 366.505 2.933 0 50 FFAA C[C@@H]1CN(c2ccc(NC(=S)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1 252586188 OBFFNHVNYWWYJE-UMVBOHGHSA-N 367.490 2.905 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 328623930 CDXXFBPKXXTRGV-CVEARBPZSA-N 363.527 2.915 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cc2ccccc2[nH]1 72123820 PCRCOEQODFZBQR-QGZVFWFLSA-N 365.408 2.880 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 72468387 IIKMOGQNKGILHP-HXUWFJFHSA-N 374.525 2.717 0 50 FFAA COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1Cc1ccccc1 153189131 ZHFDUKGOHUXOAN-MRXNPFEDSA-N 373.474 2.946 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCC(c3ncc[nH]3)CC2)c1C 72447851 NNNSXYUGYYHCLI-GFCCVEGCSA-N 357.458 2.783 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)C1CC1 77441000 KXTDMRNRCCMYBV-KRWDZBQOSA-N 351.410 2.670 0 50 FFAA Cn1c(C(=O)N2CCC[C@@H](c3cc(=O)nc[nH]3)C2)cc2c(Cl)cccc21 216322647 HIHRLBDBUPXXLM-GFCCVEGCSA-N 370.840 2.935 0 50 FFAA Cn1cc(CN2CCc3[nH]cnc3[C@H]2c2cc(-c3ccccc3)no2)cn1 72409942 WNMFCPOFUSKHOC-HXUWFJFHSA-N 360.421 2.946 0 50 FFAA Cc1nccn1[C@H](C)C(=O)N1CCN(c2nc3ccccc3s2)CC1 72477203 YQAVWIPOBMODQM-CYBMUJFWSA-N 355.467 2.711 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cccnc1 170838766 MPAYJXWMOODYTR-QAPCUYQASA-N 367.449 2.962 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc4[nH]c(C)nc4c3)CC2=O)cc1 40283685 KRZAZOYWBVELIC-CYBMUJFWSA-N 364.405 2.872 0 50 FFAA CCOC(C(=O)N[C@@H](C)c1nncn1C)(c1ccccc1)c1ccccc1 222565576 SNYUVPNPWLTVDZ-INIZCTEOSA-N 364.449 2.973 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCC(Nc4ccccc4F)CC3)c2n1 174089815 UHGIPIXTNLMUTE-UHFFFAOYSA-N 353.401 2.894 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1noc(C3CC3)n1)CC2 426534107 UJXCEDOKAJSNLK-GQIGUUNPSA-N 370.453 2.933 0 50 FFAA O=C1OCCCN1CCNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 95385369 TUNKAVRZNKOGNM-UHFFFAOYSA-N 372.391 2.501 0 50 FFAA O=C(c1ccncc1F)N1CCC(c2nccn2Cc2cscn2)CC1 95512240 HVMWWUYJNVLOTL-UHFFFAOYSA-N 371.441 2.942 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)N1CCC2(CCOCC2)CC1 426683741 FPXHBXPVEWPSNW-UHFFFAOYSA-N 352.862 2.710 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1Cl)OCO3)C2 95378987 DGIQCRWBRYYZRL-DZGCQCFKSA-N 352.862 2.611 0 50 FFAA CC(C)CCC(=O)N1CCn2nc(CCC(=O)NC3CCCC3)cc2C1 91860844 IARDRXCQAJTZAN-UHFFFAOYSA-N 360.502 2.653 0 50 FFAA O=C(NC1CCN(Cc2cccs2)CC1)c1cc(C(F)(F)F)[nH]n1 97713720 JKSDSVOKBJZGBK-UHFFFAOYSA-N 358.389 2.884 0 50 FFAA Cc1ccccc1CNC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91269833 DGMZYFHJZLNDIN-OAQYLSRUSA-N 355.482 2.929 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccnc(C(C)C)n1)C2 91526787 CUTFNBGZXFABCE-JKSUJKDBSA-N 356.470 2.629 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95367502 JQGITVBJIDKLRA-GFCCVEGCSA-N 374.495 2.568 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCc1csc(N2CCOCC2)n1 91707443 XORMTHQVPPBLNK-UHFFFAOYSA-N 366.512 2.798 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 96180409 IXZAIFZEPKGEGI-OAHLLOKOSA-N 367.478 2.961 0 50 FFAA C[C@H](NC(=O)CN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 97972171 WBAYAKSDIVAVSB-KRWDZBQOSA-N 355.457 2.821 0 50 FFAA Cc1ccc(CNC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)o1 95507609 KILOMGXZDKHGHU-INIZCTEOSA-N 357.410 2.819 0 50 FFAA Cc1cc(C)c2c(NC3CCN(C(=O)N4CCCC4)CC3)ncnc2n1 95386417 AKMSVVWDZHIGBQ-UHFFFAOYSA-N 354.458 2.734 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91737312 QNRAEEMWEXMEHS-QGZVFWFLSA-N 351.450 2.860 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 95379467 KPTRPAWHSLURED-IBGZPJMESA-N 369.513 2.576 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CCc3c(C)noc3C)C[C@H]2N(C)C)cc1 95362565 JNCJDDUIFHHKBM-VQTJNVASSA-N 371.481 2.789 0 50 FFAA CC(C)c1cc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)no1 244707980 KLGCHMUFFKUQOI-UHFFFAOYSA-N 361.393 2.991 0 50 FFAA Cc1cc(NC(=O)CN2CCC3(CCC(=O)N(C)C3)CC2)ccc1Cl 244701263 KDCWJRLWSNFDHM-UHFFFAOYSA-N 363.889 2.921 0 50 FFAA O=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1cccc(-c2ccccc2)c1 252500840 TWILADQIPVSJTG-WOJBJXKFSA-N 374.444 2.513 0 50 FFAA CC(C)Cn1cncc1CNC(=O)N1CCN(Cc2cccs2)CC1 534589087 ZYCMUZZPEGABOJ-UHFFFAOYSA-N 361.515 2.628 0 50 FFAA COc1ccccc1C1(C(=O)NC2CCN(C(=O)CC(C)C)CC2)CC1 299508082 MBUWNRDQTILLCM-UHFFFAOYSA-N 358.482 2.880 0 50 FFAA CCC(CC)n1ncc(C)c1NC(=O)N(C)CC1(CO)CCOCC1 299789942 BHACXNXRPUTDLK-UHFFFAOYSA-N 352.479 2.805 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)NCc1ccc(C(=O)N(C)C)cc1 477874123 FQDFZVKKUUFNHB-UHFFFAOYSA-N 374.529 2.796 0 50 FFAA c1c2c(cc3nc(N4CCOCC4)c(CNC[C@H]4CCCO4)cc13)CCC2 299795329 LEGMJLQHHDSRGM-HXUWFJFHSA-N 367.493 2.829 0 50 FFAA CCCn1cnc2cc(NC(=O)NCCS(=O)(=O)CC(C)C)ccc21 299789936 ASWGRCKGEISFCL-UHFFFAOYSA-N 366.487 2.639 0 50 FFAA Cc1cc(CC(=O)NCC2CCN(c3nc4ccccc4o3)CC2)on1 827861461 GPYDQPVLYUILIB-UHFFFAOYSA-N 354.410 2.700 0 50 FFAA Cc1ccc(Cl)c(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)c1 584891052 KLJYMQBTVNTMKP-UHFFFAOYSA-N 371.868 2.559 0 50 FFAA CN1CCN(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1=O 670473715 IFSZPNODQWUAJW-MRXNPFEDSA-N 357.454 2.697 0 50 FFAA CC(=O)Nc1ccc(C)cc1NC(=O)CCNC(=O)c1ccccc1F 952986967 HNYIATWWZQEMIF-UHFFFAOYSA-N 357.385 2.851 0 50 FFAA Cc1cnc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc1N(C)C 67604199 QCFIOEDTNPYAJK-UHFFFAOYSA-N 352.417 2.755 0 50 FFAA CC(=O)N[C@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@@H]1C(C)C 1565529696 SSECZVIEGIFQNK-UXHICEINSA-N 370.497 2.555 0 50 FFAA CC(C)[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1NC(=O)N(C)C 1565513599 HEFYNDSUIWIGRS-MSOLQXFVSA-N 355.486 2.804 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)OCc1ccccc1 1565505567 IISFPFIHLWVFNJ-MJGOQNOKSA-N 365.433 2.955 0 50 FFAA O=C(NCc1ccoc1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275454623 RNDJLMRZAFQNKM-MRXNPFEDSA-N 356.426 2.638 0 50 FFAA CN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCc1ccc2c(c1)CCO2 189405885 FDAHVLUENQQTLL-UHFFFAOYSA-N 367.417 2.904 0 50 FFAA C[C@H](NC(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccc(F)c(F)c1 193449222 BCCALDODJFOSHT-NSHDSACASA-N 360.426 2.635 0 50 FFAA C[C@H]1CN(CCN(C)C(=O)c2ccc(N3CCCC3)c(F)c2)C[C@@H](C)O1 194748590 GIODBTGLELHXFS-IYBDPMFKSA-N 363.477 2.607 0 50 FFAA O=C(Nc1cnc(C2CC2)nc1)N1CCCN(c2ncccc2F)CC1 784437706 JVNHJXIOLBKNKT-UHFFFAOYSA-N 356.405 2.632 0 50 FFAA CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2c(C)noc2C)s1 1506400344 FIXOXKCLEOIIMQ-ZDUSSCGKSA-N 369.512 2.783 0 50 FFAA FC(F)(F)c1noc(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)n1 213317932 CGQBBTSPTWHZNP-PWSUYJOCSA-N 373.404 2.641 0 50 FFAA Cc1nnc(CN2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)o1 1529105509 DRWQPJADBSRLJK-KRWDZBQOSA-N 354.454 2.532 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529142042 DBRRPIPDPFENMP-SJLPKXTDSA-N 357.841 2.633 0 50 FFAA COc1cccc(-c2nccn2-c2ccc3c(c2)ncn3CCO)c1OC 1775977643 KZDXEGCSYXXNNT-UHFFFAOYSA-N 364.405 2.899 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C(F)(F)F)C2)CC1 11818221 HKWNNBBMHFOTED-CQSZACIVSA-N 369.431 2.994 0 50 FFAA O=C(Cn1cccn1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 12299192 QNXYPDWSKHNBIU-QFIPXVFZSA-N 366.509 2.830 0 50 FFAA Cn1nc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)ccc1=O 12315379 KZMSAWCCLPODND-CYBMUJFWSA-N 361.392 2.544 0 50 FFAA COC[C@@H]1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C1 12431760 OYLRHDNZWJLTHO-CQSZACIVSA-N 358.394 2.565 0 50 FFAA COC(=O)c1ccc(CN2CCN(C(=O)CC3CCCC3)CCC2=O)cc1 15072224 XUOSEGIEAXZRBT-UHFFFAOYSA-N 372.465 2.614 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1 15074174 BNRSTZXCPNODGL-NRFANRHFSA-N 356.466 2.836 0 50 FFAA CCOC(=O)N1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 16607395 CNBKDKUKJFIXRE-UHFFFAOYSA-N 373.497 2.508 0 50 FFAA Cc1ccc(-c2cccc(CN3CCN(c4cnn(C)c(=O)c4)CC3)c2)o1 19635222 WENWBNLKAJMTFW-UHFFFAOYSA-N 364.449 2.671 0 50 FFAA COc1cnc(N2CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)nc1 1857696262 UEUFLEBAZORCPY-HXUWFJFHSA-N 369.469 2.763 0 50 FFAA CC[C@@]1(C(=O)NCCn2cccn2)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1 1857697394 TYMZBOBHRMNHAM-QKNQBKEWSA-N 370.472 2.972 0 50 FFAA c1cnc(N2CCC3(CC2)OCCc2cc(O[C@@H]4CCOC4)ccc23)cn1 1857698249 ZLBFBBNHCJOQSI-GOSISDBHSA-N 367.449 2.713 0 50 FFAA C=Cc1ccc(N2C[C@@H]3[C@H](CNC(=O)C(C)(C)C)[C@H]4CC[C@]3(C2)O4)nc1 1857734127 KSZDCNMPSOXSJX-BIZBXSGISA-N 355.482 2.871 0 50 FFAA Cc1ccccc1OCC(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857739160 DYFJXNGURYPNAS-UNMCSNQZSA-N 368.477 2.904 0 50 FFAA Cc1ccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1Cl 1875243370 DMUNUQFWMATBJG-ULQDDVLXSA-N 361.873 2.909 0 50 FFAA O=C(CSc1ccccn1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 216676239 BXDRGWYFGYGWPU-AEFFLSMTSA-N 368.506 2.692 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 136522438 PSTMXDYTLQLCMF-CQSZACIVSA-N 374.828 2.877 0 50 FFAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCOc2cccc(F)c2C1 367326219 UJUUZKXIHLKKLN-UHFFFAOYSA-N 353.344 2.998 0 50 FFAA Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1CCCN(CC(C)C)C1 163625915 GHCYPQKEXVWZQH-HNNXBMFYSA-N 356.461 2.922 0 50 FFAA O=C(NC1CC(O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 1857783144 UKNGDAQBRPDTGJ-UHFFFAOYSA-N 353.374 2.503 0 50 FFAA O=C(NCC1(O)CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 1857778115 DXOYKUXKEUWFBV-UHFFFAOYSA-N 367.401 2.751 0 50 FFAA COc1ccc2c(C(=O)N3CCC[C@@H]3CC(=O)c3ccco3)cnn2c1 1875266930 UPLXUQCXWCMQPO-CYBMUJFWSA-N 353.378 2.814 0 50 FFAA CC(C)c1ccc(-c2nc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cs2)cc1 1875323390 GTZSGXONYRTMBB-LBPRGKRZSA-N 362.407 2.591 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)CC1 1875365843 WWYIJGDHXOJVGS-UHFFFAOYSA-N 371.481 2.602 0 50 FFAA C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccoc2)C(C)(C)C1 1875407404 ZHJKVRGZMBYJRX-PLLDYVMSSA-N 358.482 2.858 0 50 FFAA C[C@H]1CC[C@H](C(=O)NC2CCC3(CC2)CCN(C(=O)c2cnc[nH]2)C3)C1 1875408515 YHSMFZIZILTZSY-OMMUHCLJSA-N 358.486 2.737 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 888076814 HXNXMYWNVLHZRQ-LJQANCHMSA-N 354.410 2.603 0 50 FFAA CN1CCc2[nH]nc(C(=O)Nc3oncc3-c3ccc(Cl)cc3)c2C1 2100548346 YCYLYQFCHFPEHX-UHFFFAOYSA-N 357.801 2.958 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)Nc2cccc3[nH]nnc23)CC1 299792053 FFPQPMPHSNJWIG-UHFFFAOYSA-N 366.425 2.711 0 50 FFAA COC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C(=O)OC)c1C 1115425 VSWUXDQEWAJQMD-UHFFFAOYSA-N 363.391 2.891 0 50 FFAA Cc1nc(NCCNC(=O)c2c(F)cccc2Cl)cc(-n2cccn2)n1 23144362 WWLSZPYINAXSAX-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA Cc1cc(Br)cn2c(CN[C@@H](CO)Cc3ccoc3)cnc12 2325794914 WLWLABIMZCWKAC-CQSZACIVSA-N 364.243 2.691 0 50 FFAA CC1(C)O[C@]2(CCCN(C(=O)C(C)(C)c3cscc3Cl)C2)NC1=O 2325799063 RDALDONXFKKUSL-KRWDZBQOSA-N 370.902 2.923 0 50 FFAA Cc1cccc(C(=O)N[C@H](C)CCNC(=O)Cc2cc(C3CC3)on2)c1 2325868015 LUTLOEXPOAFYKT-CQSZACIVSA-N 355.438 2.728 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCc3c(Br)cccc32)CC1 2325884278 NHJNFCCWGBJUQJ-UHFFFAOYSA-N 363.255 2.763 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)cc1 625744 AEPDYJNMXRUUTP-KRWDZBQOSA-N 353.378 2.667 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1 640078 RUPQNAVADOVYKW-UHFFFAOYSA-N 359.447 2.802 0 50 FFAA in-vitro CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nsnc3c2)C1 780624 GKHGOJZTQYPHKO-LBPRGKRZSA-N 361.471 2.804 0 50 FFAA Cc1cccc(N2C(=S)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 1020428 XIHSAOMCFUQERN-SJORKVTESA-N 358.488 2.772 0 50 FFAA COc1cccc(C[C@@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1 1143717 ZPWVSFLXBPVHAS-MRXNPFEDSA-N 367.401 2.584 0 50 FFAA COc1ccccc1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356137696 VVMPSPZLYKKDQD-IPJJNNNSSA-N 372.509 2.956 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCC[C@@]4(C3)C(=O)Nc3ccccc34)nc21 2356168025 MMOFRINJBPYEFH-NRFANRHFSA-N 360.417 2.699 0 50 FFAA CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 4977042 PAZWADNPAVGEIP-HNNXBMFYSA-N 360.479 2.892 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67869290 MNVFRBJFRRTKMG-UHFFFAOYSA-N 365.364 2.955 0 50 FFAA O=C1O[C@@H]2CN(Cc3ccccn3)C[C@@H]2N1CCCc1ccc(F)cc1 55310692 JEGZMSVTXCFHQM-RBUKOAKNSA-N 355.413 2.859 0 50 FFAA CN(CCc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCO2)no1 67880652 STEGNACRUIUWNV-QGZVFWFLSA-N 357.454 2.600 0 50 FFAA Cc1nc(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)cs1 23540894 HNZHKHAKRNWZPI-UHFFFAOYSA-N 354.435 2.952 0 50 FFAA Cc1ccc(OCc2cc(C(=O)NCc3cc(C(C)(C)C)n[nH]3)no2)cn1 67673884 REAQFSNGNQVZSS-UHFFFAOYSA-N 369.425 2.908 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](NC(C)=O)C2)c1 421949743 MYPVNUUMOLRJFD-INIZCTEOSA-N 353.422 2.789 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4cccn4)C3)C2)c1 11662164 KBXPMXVEWQZVDR-NRFANRHFSA-N 352.482 2.706 0 50 FFAA COCCC[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 77355724 NISOLSNVHXMEEP-GFCCVEGCSA-N 370.496 2.559 0 50 FFAA CC(C)c1noc([C@H]2CCCN2S(=O)(=O)N(C)Cc2ccccc2)n1 77421790 OAUMXOAUUMYDNK-OAHLLOKOSA-N 364.471 2.707 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccccn2)C1)c1cccc(-c2cn[nH]c2)c1 12432831 MNBMSDGRBKCTSZ-HXUWFJFHSA-N 361.449 2.866 0 50 FFAA O=C(Cn1nc2ccccc2n1)NC[C@@H](c1ccccc1)N1CCCCC1 215887270 DIKPWTLESZNPPK-FQEVSTJZSA-N 363.465 2.775 0 50 FFAA COc1ccc2cc([C@H]3CN(CCC(=O)NC4CC4)CCO3)ccc2c1 71745297 AVPLSRACPWUNFK-HXUWFJFHSA-N 354.450 2.890 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3cccc(F)c3)CC2)n1 72447632 FNXGZJFEOZSFCE-UHFFFAOYSA-N 359.401 2.862 0 50 FFAA O=C1COc2ccccc2N1CCC(=O)N1CC[C@@H]1c1ccccc1F 374039452 DDEKFORZGYROJI-MRXNPFEDSA-N 354.381 2.915 0 50 FFAA C[C@H](NC(=O)NCc1cccc(-c2cccnc2)c1)[C@@H](C)N1CCOCC1 363821648 NRRUQMMSXOUHOV-DLBZAZTESA-N 368.481 2.657 0 50 FFAA Cn1cccc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1 72125281 KHLJRLFPVZZBCR-HOTGVXAUSA-N 362.437 2.640 0 50 FFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C1Cc3ccccc3C1)CC2 14535101 FWTDVBHBBVEFQK-UHFFFAOYSA-N 365.477 2.995 0 50 FFAA CC[C@H](O)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 39447650 UOQILBCTTZETHI-ZDUSSCGKSA-N 370.409 2.999 0 50 FFAA COc1ccccc1-c1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1 77712095 BOGFRIFKXDGGEO-UHFFFAOYSA-N 369.465 2.940 0 50 FFAA CC(=O)N1CCC[C@H](c2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)C1 127782626 XEPIWUVOAQYLBG-ZDUSSCGKSA-N 357.435 2.981 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 77287612 MESALAUKEQQRPA-UHFFFAOYSA-N 366.421 2.922 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 220541904 UIMDFKODOXTPND-SFHVURJKSA-N 362.445 2.548 0 50 FFAA CCn1cncc1CN1CC[C@]2(OC)CC[C@H](Oc3ccccn3)C[C@H]12 426573351 YNHVMVXZURWFTK-CMKODMSKSA-N 356.470 2.889 0 50 FFAA CCc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(OC)nc4)nc3C2)[nH]1 222455700 GLKLOAYVEMSDLB-UHFFFAOYSA-N 351.410 2.569 0 50 FFAA CCCn1cnnc1CN(C)C(=O)c1cccc(-c2ncccc2N)c1 426651437 XDZWIWXJALXVJD-UHFFFAOYSA-N 350.426 2.605 0 50 FFAA CC(C)c1nc(CN(C)C(=O)Cn2ccc([C@@H]3CCCNC3)n2)cs1 426496957 PZCAFAHBKSWQIY-CQSZACIVSA-N 361.515 2.589 0 50 FFAA O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1cccnc1 49544401 AMEYNVJGSZCZMP-UHFFFAOYSA-N 370.412 2.775 0 50 FFAA C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1nc[nH]n1 20363037 ACLATSMFAKDXDM-NSHDSACASA-N 355.423 2.634 0 50 FFAA O=C(NCc1cnc2ccccc2c1)N1CCCO[C@H](CN2CCCC2)C1 426602575 XRIJUZRMRMBPMR-LJQANCHMSA-N 368.481 2.631 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3ccc(O)cc3F)[C@H](C)C2=O)cc1 222316881 LLPPVRJTJGNRKL-CQSZACIVSA-N 356.397 2.713 0 50 FFAA COC[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 229760755 QNJOHZCMQADKIW-GXSJLCMTSA-N 368.783 2.625 0 50 FFAA COCCCN1CCC[C@@]2(CCN(c3nc(-c4ccccc4)no3)C2)C1=O 91657302 UPJZKORNLXFARB-FQEVSTJZSA-N 370.453 2.592 0 50 FFAA Cn1c(-c2ccc3c(c2)OCO3)cn(CC(=O)c2ccc(F)cc2)c1=N 334157517 FGJJWEFBZQSUPY-UHFFFAOYSA-N 353.353 2.724 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(Cn2ccnc2)o1 91965811 PIJOMFHQGDJRAD-UHFFFAOYSA-N 361.405 2.982 0 50 FFAA O=C(NCCc1nc2ccccc2[nH]1)N1CCN(C2CCCCC2)CC1 426399241 OXDYNFIIDUSEIY-UHFFFAOYSA-N 355.486 2.765 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccccc2C)C(C)C)C1 230102097 XOXQCJPPUIFYGJ-AEFFLSMTSA-N 366.527 2.870 0 50 FFAA COc1cccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1OC 91914846 DWLQCPMEJGMWMV-OAQYLSRUSA-N 372.465 2.569 0 50 FFAA Cc1cccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)c1 95529614 HUOAPNOZVRPFQR-AZUAARDMSA-N 363.461 2.582 0 50 FFAA Cc1cccc2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)cn12 95377143 BGNKIXOFUSJHOF-INIZCTEOSA-N 352.438 2.764 0 50 FFAA COc1ccc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)c(OC)n1 95503281 MCKBPBNMNJGEAV-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2cccnc2N2CCCC2)C1 177193069 CWZZMLVVUOUTLZ-INIZCTEOSA-N 366.465 2.699 0 50 FFAA O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCCN(Cc2ccco2)C1 95378031 BBSQNMULPLYXMP-INIZCTEOSA-N 365.437 2.593 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cc(C(F)(F)F)nn2C)s1 97813602 WHZXKRDMBIYWFB-UHFFFAOYSA-N 365.406 2.511 0 50 FFAA Nc1nc(CCCNC2CCN(c3ncnc4ccsc34)CC2)cs1 95508301 QMZRSCRILWRUGS-UHFFFAOYSA-N 374.539 2.921 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)[C@@H](c1cccnc1)N1CCCC1 95355667 KWJUEEGWHPJWKX-HXUWFJFHSA-N 367.449 2.696 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c(C)c1 95384394 QDOSEIJZCYPSGX-FQEVSTJZSA-N 369.465 2.732 0 50 FFAA C[C@H](NC(=O)NCc1ccn2ccnc2c1)c1nc(C2CCCC2)no1 177638955 ISKLZQPJGFQACH-LBPRGKRZSA-N 354.414 2.935 0 50 FFAA O=C(CN(CCO)C1CCCCC1)Nc1ccc(Cl)c(C(=O)O)c1 244884324 YKBXFNSTTFZZKS-UHFFFAOYSA-N 354.834 2.604 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 244633672 GHKCFCAEPUHGCB-GOSISDBHSA-N 372.469 2.697 0 50 FFAA Cn1c(C(=O)N2CC[C@H](CN)C2)ccc1-c1ccc(Br)cc1 299739963 UDWVHOVQZGYMRC-GFCCVEGCSA-N 362.271 2.875 0 50 FFAA O=C(NCCC1CCN(C2CCCC2)CC1)c1ccccc1-c1nnn[nH]1 299793212 HEOJVETWYJJTLL-UHFFFAOYSA-N 368.485 2.641 0 50 FFAA O=C(COC[C@@H]1CCCO1)NCc1cc(-c2ccc(Cl)cc2)no1 299763475 WZTJTQLPEFFUDE-AWEZNQCLSA-N 350.802 2.807 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1 299802071 ZURBFBMEARZISV-INIZCTEOSA-N 354.450 2.709 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N2CC(N3CCCC[C@H]3C)C2)c1 299786126 VYLHJOPRKOBYIM-OAHLLOKOSA-N 374.485 2.670 0 50 FFAA COCC[C@H]1CCCCN1C(=O)Nc1cc(-n2cnnn2)cc(C)c1C 299761363 KHCXRUUGUNBJRQ-OAHLLOKOSA-N 358.446 2.702 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)Cc2sc(C)nc2C)c1C 824424359 NKQKSBFLKNLBEO-UHFFFAOYSA-N 361.467 2.626 0 50 FFAA CNC(=O)C(C)(C)N(C)C(=O)c1ccc(-c2cnc(N)c(Cl)c2)cc1 584898842 WDVPWODXGLQPGH-UHFFFAOYSA-N 360.845 2.581 0 50 FFAA Cc1noc(C)c1Cc1nc(C2(c3ccccc3)CC2)nn1CCCO 670455091 ZQIBYWAFXTZUQY-UHFFFAOYSA-N 352.438 2.936 0 50 FFAA O=C(NCc1cnc(O)c2ccccc12)N1CCCC[C@]2(CCNC2)C1 1346561345 XAGJIGBSJVIKIV-HXUWFJFHSA-N 354.454 2.616 0 50 FFAA COc1ccc(CCN(C(=O)[C@@H]2CNC(=O)C2)C2CCCCC2)cc1OC 952871938 HLHOHUNNVKQVQX-INIZCTEOSA-N 374.481 2.544 0 50 FFAA O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 270992971 XBIXIMVGRUQWHK-SJLPKXTDSA-N 367.449 2.525 0 50 FFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccccc1N1CCOCC1 185428142 CONATPWIEBURAC-IBGZPJMESA-N 368.481 2.851 0 50 FFAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnn(CC(F)F)c1 276494607 BGEDLXNSLIAZLE-UHFFFAOYSA-N 355.288 2.968 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 192412090 VVHIHSRDHDEMQZ-UFBFGSQYSA-N 357.193 2.714 0 50 FFAA COCCCN(Cc1cccc(OC)c1)C(=O)c1nnc2n1CCCCC2 1506419526 DTIVHNNULJORFD-UHFFFAOYSA-N 372.469 2.692 0 50 FFAA Cc1nc(C)c(CC(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c(O)n1 1529158760 KXBIMGKVDZOWLV-RBUKOAKNSA-N 367.449 2.720 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc(C(F)(F)F)ccc3F)C[C@@H]2O)n[nH]1 1704333664 CFKWFXDTCWJVBK-WBMJQRKESA-N 357.351 2.911 0 50 FFAA COC[C@@H]1CCC[C@@H]1Nc1ncnc2c1CCN(C(=O)C=C(C)C)CC2 216916283 WMBGGUAQNUBDKK-RDJZCZTQSA-N 358.486 2.597 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccncc2F)CC1 1704337027 QMQBWFBTPYCDAP-UHFFFAOYSA-N 356.397 2.934 0 50 FFAA CC(C)Cn1cncc1CN1CCCN(C(=O)Cc2ccsc2)CC1 1772711251 XOANDYLMVBVJED-UHFFFAOYSA-N 360.527 2.878 0 50 FFAA CCCCC1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 5028186 VDTCNNSUNUDGJZ-UHFFFAOYSA-N 366.527 2.989 0 50 FFAA COc1cc(OC)cc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c1 11933747 ZYHUXTZNRIRKBJ-OAHLLOKOSA-N 360.454 2.757 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn(Cc2ccccc2F)nn1 11934882 MNYAPZUTVONWPJ-MRXNPFEDSA-N 366.396 2.541 0 50 FFAA Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O 13452852 XZRVNFHXPBPZCU-UHFFFAOYSA-N 368.418 2.996 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NC[C@H]2CCCCN2C)no1 15065312 SYDWBGXOPVBTIS-QGZVFWFLSA-N 356.470 2.521 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19789459 OMDYQKZUZPUTCJ-UHFFFAOYSA-N 369.490 2.983 0 50 FFAA COc1ccc([C@@H]2CC(=O)c3cn4nc(SC)nc4nc3C2)cc1OC 19816486 SDRLUKVAZBWEEZ-NSHDSACASA-N 370.434 2.776 0 50 FFAA CN1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 19852997 BVSKIWUKFBRSNS-UHFFFAOYSA-N 352.463 2.796 0 50 FFAA Cc1ccccc1CC(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778311 GFOMIYFJQINGFH-UHFFFAOYSA-N 357.417 2.959 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccccc1OC(F)(F)F 1857727665 WWDBPOKEBVHOAI-DVOMOZLQSA-N 370.371 2.567 0 50 FFAA CC(C)CC(=O)NC[C@H]1[C@H]2CN(C(=O)Nc3ccccc3)C[C@]23CC[C@H]1O3 1857736477 QMAKGQFDDKZWRT-XKGFGPFHSA-N 371.481 2.860 0 50 FFAA O=C(COCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 211936919 GZONPOAIWUUAIX-MJGOQNOKSA-N 371.506 2.783 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 331432349 CYXWNKOSJDENJM-ZDUSSCGKSA-N 374.528 2.642 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)O 236990662 LYYQMWIQKAKXBA-BORJPKMPSA-N 362.470 2.525 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(F)c1 241124328 JHJJIEGJPZGQFH-UHFFFAOYSA-N 366.414 2.773 0 50 FFAA C[C@H](CC1CCOCC1)N[C@@H](C(N)=O)c1cccc(Br)c1 488408492 AXAHLMIBVMAABW-IAQYHMDHSA-N 355.276 2.770 0 50 FFAA O=C(O)C1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 261956817 XDWUOPGUWKIEMM-UHFFFAOYSA-N 367.345 2.507 0 50 FFAA COc1cccc2c1N(S(=O)(=O)c1ccc3nn[nH]c3c1)CC[C@H]2C 952845133 URFQZRAMTXUEMT-LLVKDONJSA-N 358.423 2.669 0 50 FFAA COc1cccc2nc(N3CCc4c(CC(N)=O)cccc4C3)sc12 1875317980 ISFPTRXWJSSSJT-UHFFFAOYSA-N 353.447 2.895 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)c3cccc4ccc(O)nc34)CC2)C[C@@H](C)O1 1875302166 CFNPXMTYGHJSMY-GASCZTMLSA-N 369.465 2.654 0 50 FFAA CC1(C)OCC[C@H]1n1nc(-c2nccs2)nc1[C@@H]1CCc2c[nH]nc21 1875348781 CHSGIWFPWOYAQN-VXGBXAGGSA-N 356.455 2.943 0 50 FFAA CC1(C)SCCN2C(=O)N([C@@H]3CC[C@@H]4SCCS[C@H]43)C(=O)[C@H]21 1875356533 PPASPOOLDMULLY-RHYQMDGZSA-N 358.554 2.524 0 50 FFAA CC1(c2cc(C(=O)N[C@]34CCC[C@@H]3N(C(=O)C3CC3)CCC4)no2)CC1 1875404999 IXABHSUSGOFJBQ-YWZLYKJASA-N 357.454 2.780 0 50 FFAA Cc1nc([C@H](NC(=O)c2cc3c(s2)CN(C)CC3)c2ccccc2)no1 2325797979 CWFFCQKBBGLSCU-QGZVFWFLSA-N 368.462 2.947 0 50 FFAA Cc1ccc(C)n1CC(=O)NC[C@H](NC(=O)c1cc(F)c[nH]1)C(C)(C)C 2325870974 XHRWDAURSUZVRS-INIZCTEOSA-N 362.449 2.533 0 50 FFAA CCn1nc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2C)c1C 1140809 WIHSCIIMPABBMR-UHFFFAOYSA-N 360.443 2.639 0 50 FFAA CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 1201091 LJGZQNJELGQPPJ-UHFFFAOYSA-N 366.395 2.598 0 50 FFAA CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2175280 GYJKJTRLEBPOMV-UHFFFAOYSA-N 370.405 2.705 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)Cc3ccccc3Cn3cccn3)C[C@H]2CC1=O 2356165084 SMVCHBSAXQHJNX-ZCNNSNEGSA-N 352.482 2.620 0 50 FFAA Cc1c(NC(=O)Nc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 2858527 KHKRXHSCIHVNHM-UHFFFAOYSA-N 366.377 2.857 0 50 FFAA C[C@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)NCCc1ccncc1 225857706 HCCKDICDOOCFBS-KSSFIOAISA-N 370.474 2.703 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 67674934 AETNTIDZQPBCQN-INIZCTEOSA-N 350.426 2.573 0 50 FFAA CC1=C(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](c2cccnc2)NC(=O)N1 67821553 PFWCXMZFBLDBBV-YXSDIZSPSA-N 366.465 2.795 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N1CCN(Cc2cccc(F)c2)CC1 20538132 OSUWVDCFGYOLEB-UHFFFAOYSA-N 371.460 2.880 0 50 FFAA CCC(=O)N[C@@H](C)C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67588556 SDQQCGKBCGUMOO-ZDUSSCGKSA-N 372.444 2.837 0 50 FFAA Cc1c(CNCCCCc2ccccn2)c2ccccc2n1CC(N)=O 67872834 UQRYXMCDOIFOBK-UHFFFAOYSA-N 350.466 2.943 0 50 FFAA Cc1noc([C@@H](C)N(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)n1 67562247 POECXEMBXHCYRZ-SNVBAGLBSA-N 359.361 2.652 0 50 FFAA COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)SCC(=O)O 22130760 HFAULIVWDVHQKV-UHFFFAOYSA-N 360.387 2.893 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(Cc4nccs4)C[C@@H]32)cc1 20599102 BCJPEGOPETUDPG-DLBZAZTESA-N 373.478 2.790 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCC[C@H](C(N)=O)C3)c(C)o2)cc1C 67856057 OEZBOLZMXXVMCL-HNNXBMFYSA-N 357.454 2.973 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1 72478813 CTYFEKMTIHUMAL-AWEZNQCLSA-N 374.445 2.974 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@@H]2CCCC[C@@H]12 229577977 QPCZNXDYAUDIPL-FHLIZLRMSA-N 369.465 2.779 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C[C@@H](C)O1 170637409 CYVHXPYIYLPSHT-VXGBXAGGSA-N 350.415 2.989 0 50 FFAA CC[C@@]1(O)CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 428441338 VQSREHMCFFDBLL-MRXNPFEDSA-N 350.260 2.982 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)n2ncnc2N1 4987104 HDKFQDVRTCNQPJ-LRDDRELGSA-N 374.828 2.943 0 50 FFAA CCOc1ncccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1 219834492 MEBYTNGLTLYNNO-UHFFFAOYSA-N 354.332 2.570 0 50 FFAA CCOc1ccc2[nH]c(=O)c(CN3CCC(c4noc(C)n4)CC3)cc2c1 216452849 XSVCCSLDYCBRMG-UHFFFAOYSA-N 368.437 2.998 0 50 FFAA CN1CC[C@@H](CNC2CCN(c3nccs3)CC2)[C@@H]1c1cccnc1 328628688 HNBSNIYQLDIHFF-WMZOPIPTSA-N 357.527 2.790 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)c2sccc2C)CC1 328627035 FRZBZRRPNQRVFE-QGZVFWFLSA-N 372.494 2.890 0 50 FFAA CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@]2(CCOC2)C1 153526168 NDKJXWDQLKBOKT-FQEVSTJZSA-N 355.438 2.914 0 50 FFAA O=C(NCCc1nccc(-c2ccccc2)n1)c1cn(-c2ccccc2)nn1 72161456 BSISHZSCCQBTRQ-UHFFFAOYSA-N 370.416 2.697 0 50 FFAA O=C(NCCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 332791810 YRWNOKTUSLOGPN-BPQIPLTHSA-N 353.470 2.928 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccnc(NC)c3)CC2)OC1=O 72407592 NCLHNKXQHHGJGB-CQSZACIVSA-N 360.458 2.739 0 50 FFAA COc1cc(C)sc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219427737 UAWXWVPGSZRBIA-GDBMZVCRSA-N 362.451 2.564 0 50 FFAA OC[C@@]1(NCc2ccc(Cl)cc2-n2cncn2)CCc2ccccc21 373597654 VDFKHTLEPNNOMC-IBGZPJMESA-N 354.841 2.844 0 50 FFAA Cc1cc(CN2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)on1 77286585 QZBBVOGECQULJA-UHFFFAOYSA-N 370.501 2.885 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c(F)c1 49551358 MOQOWUCYKIHTDJ-UHFFFAOYSA-N 371.343 2.836 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3)ccc21 77355891 XZZZCKSXTAJLOA-UHFFFAOYSA-N 353.422 2.638 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC(CO)CC1 171165181 UHGOIAALBRMQNH-UHFFFAOYSA-N 370.331 2.992 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280083933 QKMUXMTWNWUULH-SWLSCSKDSA-N 353.344 2.870 0 50 FFAA Cc1cccc(C)c1NC(=O)CNC(=O)CN1CC[C@H]2CCCC[C@H]2C1 241439916 NNLLGCZOAOMJCW-MSOLQXFVSA-N 357.498 2.870 0 50 FFAA CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCCO1 242339324 ZGWPPAPDCGDBNY-RTBURBONSA-N 359.514 2.938 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1oc(COc2ccccc2)cc1C 223943164 IMIXUSZPLCZCLP-ROUUACIJSA-N 358.438 2.616 0 50 FFAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 17074927 UPKFUGPJNOVYEC-SNVBAGLBSA-N 364.467 2.959 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NCc1cc(-c2ccccc2)n[nH]1 223256050 TYHSAAABDMZMMO-UHFFFAOYSA-N 358.401 2.708 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2ccc3oc(C)cc3c2)C1 222663995 SUFPNTBYSJNUJP-SHTZXODSSA-N 354.410 2.521 0 50 FFAA O=C(CCNC(=O)c1c[nH]nc1-c1ccccc1F)NC1CCCCC1 87159602 VKAKFQHXVTWSHW-UHFFFAOYSA-N 358.417 2.785 0 50 FFAA CCCN1CCC(NC(=O)N2CCC(OCc3cccnc3)CC2)CC1 426438757 PXJUFNPGEZOIGB-UHFFFAOYSA-N 360.502 2.647 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ccc2nonc2c1 82127036 UVWGROJFKMVVRV-LLVKDONJSA-N 370.796 2.754 0 50 FFAA O=C(NCCc1nc(-c2cccnc2)no1)c1c[nH]nc1-c1cccs1 426509496 PDXFRUGZEZIDFV-UHFFFAOYSA-N 366.406 2.556 0 50 FFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 426571558 DTEIQYUOLNEPGK-HNNXBMFYSA-N 366.465 2.620 0 50 FFAA CCCc1cc(C(=O)N[C@H](C(=O)O)c2ccc(F)c(Cl)c2)n(C)n1 95366043 YDGFATHECUQFPA-AWEZNQCLSA-N 353.781 2.721 0 50 FFAA C[C@@H](O)CN1CCC(CN(C)C(=O)c2cnc(-c3ccco3)s2)CC1 176452286 FDOIQARUMGNFOK-CYBMUJFWSA-N 363.483 2.568 0 50 FFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCc1cc(-c2ccccc2Cl)no1 91550594 XROANLWIANANMI-INIZCTEOSA-N 359.817 2.651 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)n1 95516669 SANAQVRFZPROMW-KRWDZBQOSA-N 366.421 2.755 0 50 FFAA O=C(C1CCS(=O)(=O)CC1)N1CCCC[C@@H]1CCc1cccs1 91859751 AYQUSUZTUMOFLI-OAHLLOKOSA-N 355.525 2.887 0 50 FFAA CC(C)N1CCC(C(=O)N[C@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95521191 NRKYAXLTTBJVGX-HNNXBMFYSA-N 356.825 2.841 0 50 FFAA Cc1cc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1C 97784714 FQDMGEIRYNYHLJ-LJQANCHMSA-N 367.493 2.644 0 50 FFAA CCNc1ncc(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)cn1 96149553 QGJNYIOOBRGOCG-KRWDZBQOSA-N 350.426 2.666 0 50 FFAA COCC[C@@]1(C(=O)O)CCCN(Cc2ccc(OC)c(COC)c2)C1 91657290 VUOXQLJIBKPZBC-IBGZPJMESA-N 351.443 2.545 0 50 FFAA Cc1cc(-c2ccc(S(=O)(=O)NC[C@@H]3COc4ccccc4C3)o2)on1 91986898 QZMVKYGXPGBXMM-CYBMUJFWSA-N 374.418 2.773 0 50 FFAA CC[C@H](C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1)N1CCOCC1 91644040 MNINVFNBJQJECZ-GOSISDBHSA-N 370.497 2.688 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(CCc3ccccc3)C2)n1C 95385928 YRJIJWJRWSXQAH-LJQANCHMSA-N 364.497 2.790 0 50 FFAA O=C(Nc1cccc(-c2cscn2)c1)N1CCC2(CC1)C[C@H](O)CO2 95530143 OIDLPOIQRZFTDZ-HNNXBMFYSA-N 359.451 2.958 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)no1 95359406 QBOGUPFAWFNBOO-GDIGMMSISA-N 373.403 2.964 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccccc3)CC2)CN1C[C@H]1CCCO1 91830817 VRDRFIYXXUEJPR-GOSISDBHSA-N 356.466 2.710 0 50 FFAA O=S(=O)(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)s1 244719206 LYSJOCQYEPNJBM-RBZYPMLTSA-N 358.872 2.587 0 50 FFAA COc1cccc(-c2nsc(NC(=O)N3CC[C@H](n4cccn4)C3)n2)c1 291598592 ZKVYPWIDUANMEG-ZDUSSCGKSA-N 370.438 2.889 0 50 FFAA Cc1cc(C(=O)N(C)C2CCC(F)(F)CC2)cc(S(N)(=O)=O)c1C 291644956 CBPRKSGULDOYBR-UHFFFAOYSA-N 360.426 2.601 0 50 FFAA O[C@@H](CN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F 180987966 ACHRNWRUTTYSAF-IBGZPJMESA-N 354.429 2.553 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1sccc1OC(F)F 183062721 WEVAQFXJXKYCPH-LLVKDONJSA-N 367.377 2.670 0 50 FFAA O=C(NCc1cccc2cccnc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 296349233 NAVIWIXZJPASTP-MAUKXSAKSA-N 374.444 2.725 0 50 FFAA COc1cncnc1NC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 297315295 CEEFTRNBJWNMBL-VIFPVBQESA-N 370.335 2.639 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)c1cccc(-c2cnn(CCO)c2)c1 534591476 WSAOJEBZQSGSRJ-LJQANCHMSA-N 357.454 2.574 0 50 FFAA C[C@@H]1Sc2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cc2NC1=O 299745775 SHLCCVGUYOEJAC-AZHAFVHUSA-N 374.462 2.977 0 50 FFAA O=C(O)COc1cccc(CNC(=O)C[C@@H]2CCOc3ccccc32)c1 299753103 WVRVZWBGBZCKHE-HNNXBMFYSA-N 355.390 2.723 0 50 FFAA COC(=O)c1cc(-c2ccc(C(=O)N3CCC4(CCO4)CC3)cc2)cn1C 534631814 WZEXQDAIYOHXCN-UHFFFAOYSA-N 368.433 2.874 0 50 FFAA COc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c(OC)co2)c(OC)c1 281141720 FYUGVJMPTNGURB-AWEZNQCLSA-N 359.378 2.643 0 50 FFAA CCN1CCC(CNC(=O)Nc2cc(C)c(OC)c(C)c2)(N(C)C)CC1 299798395 ROMWNEKARUKKLY-UHFFFAOYSA-N 362.518 2.850 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 299797977 PWEUKWWBEOFWDH-UHFFFAOYSA-N 355.442 2.951 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 299787838 RPDAMOXHLASGSB-ZDUSSCGKSA-N 369.421 2.542 0 50 FFAA Cc1c(NC(=O)C2=NN(C)C(=O)CC2)cccc1NC(=O)C1CCCC1 823807248 AWWPYQYGDUDEDZ-UHFFFAOYSA-N 356.426 2.670 0 50 FFAA CN1CCC([C@@H]2CCN(C(=O)NCc3ccccc3-n3ccnc3)C2)CC1 270285248 WBFSTEVPWBBRCX-LJQANCHMSA-N 367.497 2.746 0 50 FFAA Cn1c([C@@H]2CCCN2C[C@H](O)COc2ccccc2)nc2c1CCCC2 275586812 GBDKDZIDSKZRTM-JXFKEZNVSA-N 355.482 2.876 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CCCc2cc(N)ccc21 186630285 GVIJAOIXYQIMPS-INIZCTEOSA-N 351.410 2.773 0 50 FFAA CCC(CC)[C@H](C(=O)Nc1ccc2nnc(C(C)C)n2c1)N1CCOCC1 189073998 ZVLSHTDLBWJRQW-GOSISDBHSA-N 373.501 2.928 0 50 FFAA CC(=O)c1ccc(=O)n(CC(=O)N(C2CCCCC2)C2CCCCC2)n1 195428580 OCYXBUJGNYASFK-UHFFFAOYSA-N 359.470 2.940 0 50 FFAA Cc1cc(C(=O)Nc2ccnn2C2CCN(C)CC2)c2c(C)noc2n1 1529139941 ZACKWVWCJJHDLQ-UHFFFAOYSA-N 354.414 2.555 0 50 FFAA CO[C@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H]1Cc1cc(C)no1 1529115135 YUOOVENODRUMQI-KUHUBIRLSA-N 353.422 2.804 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc(-c4ccccc4F)oc3C)C[C@@H]2O)n[nH]1 1704300484 WICYSVJNWWTFPP-KUHUBIRLSA-N 370.428 2.856 0 50 FFAA Nc1nc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)cs1 1704338083 LGHFIKSJDMGGIX-UHFFFAOYSA-N 368.462 2.911 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1 1772710037 UKGZFLARKSITCW-SFHVURJKSA-N 366.461 2.722 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3ccc(C)cc3C)=N2)cc1 5812146 ASTGQECNPQZTOQ-KRWDZBQOSA-N 366.421 2.607 0 50 FFAA CN(C)c1cccc(C(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)c1 11790745 PBINKWXRMDRIHY-IBGZPJMESA-N 374.444 2.943 0 50 FFAA COc1ccc(OCc2cc(C(=O)N(C)[C@@H]3CCOC3)n[nH]2)c(Cl)c1 11820028 AQBVYHATCMJKFS-GFCCVEGCSA-N 365.817 2.512 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccnn2C)C1 11874035 YXLRYMMSZKUHDJ-HXUWFJFHSA-N 373.428 2.587 0 50 FFAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)o1 12711125 SSFVONAOFJVPDO-GOSISDBHSA-N 354.450 2.728 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC 13676965 ANXLROWDGYGFNW-UHFFFAOYSA-N 368.842 2.817 0 50 FFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N1CCCC1)CC2 14539790 NSRBNFKGPHAJGE-QGZVFWFLSA-N 352.482 2.634 0 50 FFAA CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1cccc(O)c1)CC2 14541927 ZPKWDEAQJQYHQP-UHFFFAOYSA-N 357.454 2.980 0 50 FFAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1 15063534 VYJNXDBYXHVJGP-MRXNPFEDSA-N 355.438 2.791 0 50 FFAA COc1cc(CN2CCN(Cc3ccccc3F)CC2)cc2c1OCO2 19781607 BQLZYWNZLGWRSC-UHFFFAOYSA-N 358.413 2.881 0 50 FFAA CCCCc1ncc(CN2CCO[C@]3(CCN(c4nccs4)C3)C2)[nH]1 1857703986 YOROPEPRSVHBFX-GOSISDBHSA-N 361.515 2.690 0 50 FFAA CCCCCN1C[C@@H]2[C@H](CNC(=O)CCc3ccncc3)[C@H]3CC[C@]2(C1)O3 1857733661 TVHFUDZWWIMYFN-GPQLQYNLSA-N 371.525 2.800 0 50 FFAA Cc1cccnc1N1C[C@@H]2[C@H](CNC(=O)c3ccoc3C)[C@H]3CC[C@]2(C1)O3 1875245354 WGISPWFVPBNJQI-XKGFGPFHSA-N 367.449 2.705 0 50 FFAA CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 119983494 IEPCTQOZQAGHNC-SFHVURJKSA-N 369.465 2.652 0 50 FFAA Cc1cccc2[nH]cc(CC(=O)NC3CCN(C[C@H]4CCOC4)CC3)c12 136920966 HWHAJCGSZITDTG-MRXNPFEDSA-N 355.482 2.636 0 50 FFAA COc1ccc(CC(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)nc1 363815752 GEWWRHKHIUBPAV-FQEVSTJZSA-N 373.497 2.662 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccccc1 156870192 SFSWULMRHNVJJP-ZWKOTPCHSA-N 354.454 2.958 0 50 FFAA CCCN(CC(=O)O)S(=O)(=O)c1ccc(Br)c(Cl)c1 262406542 KVDLKOIIEAFVHZ-UHFFFAOYSA-N 370.652 2.588 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 909836931 UMXIJWHPRYFAQE-DFQSSKMNSA-N 364.445 2.840 0 50 FFAA CO[C@H](C(=O)NCc1nnc(C)n1C1CC1)c1ccccc1C(F)(F)F 935271332 LZNIGNMDJUQGFP-HNNXBMFYSA-N 368.359 2.944 0 50 FFAA Cc1ocnc1C(=O)N[C@H]1CC12CCN(CCCC1CCOCC1)CC2 952894565 NZTLTYGLGTXNEA-KRWDZBQOSA-N 361.486 2.774 0 50 FFAA Cc1cccc2c(C(=O)N3CCC([C@@H]4CC[C@H](C(N)=O)O4)CC3)coc12 952889386 BEMOPEKEDGGXPP-DLBZAZTESA-N 356.422 2.626 0 50 FFAA Cc1cc(F)ccc1C(=O)NS(=O)(=O)c1ccc2c(c1)OC(F)(F)O2 1875326174 DAXNXKYSTRSEMC-UHFFFAOYSA-N 373.308 2.574 0 50 FFAA C=CC(=O)N(CCc1ccccc1F)C[C@H]1CCO[C@H]1c1cnn(C)c1 1875386038 HTFKZCRYPNFREG-OXQOHEQNSA-N 357.429 2.894 0 50 FFAA CCn1cc(C(=O)N(C)CC[C@H](Nc2ccnc(C)n2)C(C)C)c(C)n1 1875312740 SFISNUXHNBYWBF-KRWDZBQOSA-N 358.490 2.909 0 50 FFAA NC(=O)C(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 4708675 OTMUDLKZJXNVSE-UHFFFAOYSA-N 355.781 2.601 0 50 FFAA Cc1ccc(-c2nc(NC(=O)CCNS(C)(=O)=O)sc2C)c(C)c1 2100477673 GUWWSAYEVPIXME-UHFFFAOYSA-N 367.496 2.613 0 50 FFAA O=C(NCc1ccncc1O[C@H]1CCNC1)Nc1ccc2sncc2c1 2325759939 PYNPPAOZNUJEGT-HNNXBMFYSA-N 369.450 2.754 0 50 FFAA c1cn2ccc(CNCC3CCN(CCN4CCCCC4)CC3)cc2n1 2325802370 CKIWRSVXDKQKGA-UHFFFAOYSA-N 355.530 2.622 0 50 FFAA Cc1c(CC(=O)N[C@@H]2CCNC2=O)c(-c2ccccc2)nc2ccccc12 2325829679 PNCVNVKXFWBLIL-LJQANCHMSA-N 359.429 2.757 0 50 FFAA CC1(C)C[C@H](CC(N)=O)N(c2ncnc3cc(Br)sc23)C1 2325854493 GRQOHXKIENQTBM-QMMMGPOBSA-N 369.288 2.934 0 50 FFAA CCC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)O 2325870852 RXRPTOQWSSRYCP-AWEZNQCLSA-N 354.362 2.894 0 50 FFAA CC(C)[C@H](N)N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 1857800123 AWWHMJDUTUSARV-ZYHUDNBSSA-N 356.656 2.782 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1Br 881823 RQLBEJLKERBDIA-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)Cc2ccccc2C)C1=O 2356136804 KOJZDSCLQFNZJV-IBGZPJMESA-N 364.511 2.692 0 50 FFAA CCCn1ncc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1C 2356142851 KNGOQVNSNIRDGR-IEBWSBKVSA-N 351.491 2.675 0 50 FFAA CCOC(=O)c1cnc(Nc2ccc(CCO)cc2)nc1C(F)(F)F 2356146360 CEBIVWFXDSBNPF-UHFFFAOYSA-N 355.316 2.951 0 50 FFAA O=C(Cc1cccnc1)N1CC[C@H]2[C@@H]1CCN2c1ncnc2sccc12 2356166716 KVABCMGKJHXXBR-HOTGVXAUSA-N 365.462 2.509 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCO)cc1 2833378 HORMNZIVSYWSHV-SFQUDFHCSA-N 358.825 2.528 0 50 FFAA O=C(CF)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 3155618 XZGRNAHHWWPNSA-SECBINFHSA-N 358.653 2.755 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc(Cl)c2)NC(=O)N1 4113629 WDIWUMHMCXIFGO-HNNXBMFYSA-N 352.818 2.936 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1cc(C)cc(C)c1 4806143 ZSAJGRBEXJEIHM-UHFFFAOYSA-N 363.435 2.900 0 50 FFAA COc1cc2nc(NCCN3CCC[C@@H](CO)C3)cc(C)c2cc1OC 55284178 XJQYETOGFCNBNX-OAHLLOKOSA-N 359.470 2.677 0 50 FFAA O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1 8772845 OBBIKVAJNYZMOC-UHFFFAOYSA-N 367.430 2.797 0 50 FFAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)CSCc3ccccn3)n2)c1 225644080 HYFRGVHYLRAFSW-ZDUSSCGKSA-N 368.466 2.681 0 50 FFAA CCCN1C[C@@H](c2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)CCC1=O 65529547 RJMMKHNRVPVQKP-AWEZNQCLSA-N 368.437 2.989 0 50 FFAA COc1ccc(-c2cn3c(C(=O)N4CC=C[C@H]4CO)csc3n2)cc1F 67643121 BROWLQDWZZLIHM-LBPRGKRZSA-N 373.409 2.583 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 67833905 BCHOOFLWYIOZKS-MRXNPFEDSA-N 367.453 2.757 0 50 FFAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccnc3)CC2)c1 24612344 QXGJNMMPTFPRLU-UHFFFAOYSA-N 373.478 2.571 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1-n1cccn1 1260774883 OERIFKLOXSNKLV-UHFFFAOYSA-N 371.462 2.976 0 50 FFAA CC[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 170608120 DAXWICUEODRYJG-LJQANCHMSA-N 351.450 2.603 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1 170619508 QUIGIWDHEAYASO-QGZVFWFLSA-N 374.485 2.518 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cc2ccccc2)no1 12049282 CEFBTCNSLAQJGS-MRXNPFEDSA-N 350.374 2.835 0 50 FFAA O=C(NCc1ccc(Br)cc1)NCc1nnc(C2CC2)o1 170618493 RXZLQKIJWRZWLK-UHFFFAOYSA-N 351.204 2.709 0 50 FFAA COc1ccc(-c2ccc(CN3CCOCC3)cn2)c(-n2cccn2)c1 215464070 VNWSRIIZGYAHLJ-UHFFFAOYSA-N 350.422 2.775 0 50 FFAA COc1cccc([C@@H]2[C@H](NC(=O)c3nnc(C)s3)CCN2C2CC2)c1 185516230 IKTUUSFTJVIGOL-HZPDHXFCSA-N 358.467 2.563 0 50 FFAA COc1cccc(OC)c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 39557783 XBXXUAQEMHMPED-GOSISDBHSA-N 362.514 2.905 0 50 FFAA Cn1c([C@@H]2CCCN2Cc2cc(=O)n3ccccc3n2)nc2c1CCCC2 328626821 FLMAOZSISCETRF-SFHVURJKSA-N 363.465 2.644 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2ccc(C)cn2)CC1 328635054 NCXMRXPWUJKIEJ-HXUWFJFHSA-N 353.470 2.583 0 50 FFAA N=c1oc2ccc(Br)cc2cc1C(=O)NCc1cccnc1 6815820 AOWFBGAYOMWOEZ-UHFFFAOYSA-N 358.195 3.000 0 50 FFAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1C[C@H]2CC[C@H]1O2 252516475 SSPYDZMKUDCCIE-SFDCQRBFSA-N 352.381 2.550 0 50 FFAA COCC(C)(C)CNc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 71738803 XOFDOUFGBCAPJA-UHFFFAOYSA-N 369.469 2.528 0 50 FFAA Cc1sc2nc(CSCC(=O)Nc3cccnc3)[nH]c(=O)c2c1C 36352716 IHFOARMMWBHNLY-UHFFFAOYSA-N 360.464 2.868 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)C1(N2CCOCC2)CCCCC1 219283788 NAYYBAQSBGEZHE-UHFFFAOYSA-N 368.481 2.524 0 50 FFAA Cc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(=O)oc2ccccc12 363493651 SEGXBVPBNCKMPS-CQSZACIVSA-N 353.378 2.729 0 50 FFAA O=C(CCOc1ccccc1F)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 363769830 RIFGBAFPYDIOIA-FQEVSTJZSA-N 354.381 2.717 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1 71405864 RFGPHZVXHPOXOE-KRWDZBQOSA-N 366.417 2.849 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)cc1 333017323 ZMMTYGJTXOKIDC-KBAYOESNSA-N 364.511 2.850 0 50 FFAA CN(C)c1ncnc2c1CCN(S(=O)(=O)c1cc3ccccc3s1)C2 71524426 VZMUTCSKDMOYHV-UHFFFAOYSA-N 374.491 2.504 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCN(Cc3cc(F)cc4cccnc34)C2)no1 372946351 JDCPPKMZERECKF-QGZVFWFLSA-N 355.417 2.772 0 50 FFAA O=C(c1nc(O)c2ccccc2n1)N1CCCN(Cc2cccs2)CC1 75802094 RYTAMFXDCWEMRX-UHFFFAOYSA-N 368.462 2.745 0 50 FFAA CN1CCC(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)CC1 279615912 CBWXMIJAOQJHLY-CJNGLKHVSA-N 356.388 2.682 0 50 FFAA Cc1ccc([C@H](NS(=O)(=O)c2c(C)nn(C)c2C)c2ccccn2)cc1 280281658 PSLCMIKKJVHDTE-SFHVURJKSA-N 370.478 2.808 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)[nH]n2)o1 82099846 XLQBYRQFHWVYDL-CYBMUJFWSA-N 350.378 2.513 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCCC[C@H]2CCc2nccn2C)n(C)n1 82107823 RLQGAAPHUIERSO-KRWDZBQOSA-N 357.502 2.980 0 50 FFAA COC1(c2nc(CC(F)(F)F)no2)CCN(C(=O)c2ccco2)CC1 284434492 LCVLVFRYOQOEPT-UHFFFAOYSA-N 359.304 2.545 0 50 FFAA O=C(O)Cn1nccc1[C@@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 426691303 OHGJMNFVCBUGIO-CQSZACIVSA-N 369.450 2.870 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)N3CCOc4ccc(CO)cc4C3)oc2c1 221259233 YXFBMQOBWZCFNI-UHFFFAOYSA-N 365.385 2.629 0 50 FFAA NS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCC(F)CC3)c2)s1 426504407 CFRJIWFEWBTBTR-UHFFFAOYSA-N 368.455 2.637 0 50 FFAA CC(=O)N1CC2(CCN(c3cc(C)nc4ccccc34)CC2)C[C@H]1C(=O)O 82109663 DJRIKJIBFHCKBC-IBGZPJMESA-N 367.449 2.835 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N(CC1CCC1)CC(F)(F)F 175032437 RCWUVIPEWLBXMS-UHFFFAOYSA-N 367.371 2.978 0 50 FFAA O=C(c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F)N1CCCC1 161794471 ZGOPYDJRLBNWLK-UHFFFAOYSA-N 374.437 2.813 0 50 FFAA Cc1nc2ccc(C(=O)NCCCn3nnc4ccccc43)cc2nc1C 91997961 YLWUFIHWDQSNMS-UHFFFAOYSA-N 360.421 2.811 0 50 FFAA COc1cccc2c1OC[C@@H](CNC1CCN(C(=O)OC(C)C)CC1)C2 95512942 ZXLFKEMMOKGLAM-OAHLLOKOSA-N 362.470 2.845 0 50 FFAA Cc1c[nH]c(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91724797 VSAJTHSMIHFYSQ-HXUWFJFHSA-N 355.438 2.861 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@@H](c2ccccc2F)N(C)C)CC1 91857988 TZBOVEWICWQSRZ-LJQANCHMSA-N 358.461 2.872 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](c2nccn2CC2CC2)C1 95530846 UUUITRBFQRILSX-KRWDZBQOSA-N 367.449 2.971 0 50 FFAA COc1ccc(NC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c(OC)n1 96132392 VDTVPPQPMXNQMB-HNNXBMFYSA-N 372.425 2.707 0 50 FFAA CCc1nnc(CN(C)Cc2c(-c3cc(C)on3)nn(C)c2Cl)o1 97495423 QSDFHLABWKNCOJ-UHFFFAOYSA-N 350.810 2.614 0 50 FFAA CC(C)N1CCC(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 95507256 GFTIPAIKNPOPNJ-NRFANRHFSA-N 356.466 2.743 0 50 FFAA CC1(C)SC[C@H](C(=O)N(CCc2ccccc2)Cc2ccco2)NC1=O 97635026 HUHYJAVYQARMKK-QGZVFWFLSA-N 372.490 2.861 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)COC[C@@H]2CCCCO2)CC1 91424934 FKKXZNUQCJQZKB-SFHVURJKSA-N 363.502 2.975 0 50 FFAA c1ccc(CN2CCC[C@@H]2CN2CCC(Oc3ncccn3)CC2)cc1 244574816 CRYHIBDPEGNAAM-LJQANCHMSA-N 352.482 2.984 0 50 FFAA O=C1CN(Cc2cncn2Cc2ccccc2)CCN1Cc1ccccc1 244724685 MYPRNGLHFQLKTM-UHFFFAOYSA-N 360.461 2.776 0 50 FFAA CNC[C@H]1CCN(C(=O)CCOc2ccc(C)cc2Br)C1 179016967 QYIDLCGSQJWYEI-CYBMUJFWSA-N 355.276 2.594 0 50 FFAA CCNc1ccc(-c2cccc(C(=O)N[C@@H](C)CCn3cccn3)c2)nn1 534648181 GXSJDQWOWZGJQK-HNNXBMFYSA-N 364.453 2.981 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)o1 299766540 OXKUJPNRTAOQPZ-AWEZNQCLSA-N 357.439 2.721 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1 102334926 XOEWKCSFZZAOHN-NUZBWSBOSA-N 362.451 2.651 0 50 FFAA CC[C@@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1ncc(C)[nH]1 584902274 NXLFQTZDENFVIF-QGZVFWFLSA-N 357.458 2.955 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)NC[C@@H](O)C12CC3CC(CC(C3)C1)C2 952973069 XKRRJNQSPNUWQI-PHFJRJNYSA-N 361.507 2.947 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)Nc1ccsc1 275952417 MFNJUGORXYNUQB-WFASDCNBSA-N 351.451 2.558 0 50 FFAA Cc1ccc(F)c(OCC(=O)N2Cc3cnnn3Cc3ccccc32)c1 189030686 OEUPXTUBEDRIQV-UHFFFAOYSA-N 352.369 2.700 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)O)cc2)CCN1C[C@H](O)c1ccccc1 736810391 OEXWLDDDODUBEW-UZLBHIALSA-N 354.450 2.625 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H]2SCCc3ccccc32)C1 779857636 ZYPJZJXFTMGPQG-BMFZPTHFSA-N 359.451 2.697 0 50 FFAA CN(CC[C@@H]1CCS(=O)(=O)C1)CC1(N2CCCCC2)CCCCC1 1529119593 KFJFVDVLOBHJJJ-GOSISDBHSA-N 356.576 2.932 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(Cl)cn1)C2 213300552 QPEXTBBHNABIEB-HIFRSBDPSA-N 360.845 2.967 0 50 FFAA COc1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)ccc1F 12053231 YXCMUSLAIHTLDC-INIZCTEOSA-N 364.461 2.685 0 50 FFAA O=S(=O)(c1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12307016 VQWRVSLBBCXCGQ-UHFFFAOYSA-N 357.410 2.963 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)c(OC)c1 12387446 BTZPFFRPHAZWSN-INIZCTEOSA-N 357.454 2.885 0 50 FFAA Cc1cccc(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)c1 12587242 YDNBINNQJZCVRF-NRFANRHFSA-N 356.441 2.777 0 50 FFAA Cc1cc(C)nc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)n1 19228571 PPJCZVXGENZESX-UHFFFAOYSA-N 363.465 2.956 0 50 FFAA Cc1ccc2c(C(=O)N3CCN(c4ccc(F)cn4)[C@H](C)C3)cnn2c1 1857675278 QMYLNNRWMXIAKD-CQSZACIVSA-N 353.401 2.528 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1F)NCc1nc2ncccc2o1 1857708767 MISQJIZVEGONBH-UHFFFAOYSA-N 355.778 2.635 0 50 FFAA CCC[C@@]1(CO)CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[C@H]1O 1857713004 RCWYJRIELKZHDQ-KNQAVFIVSA-N 367.493 2.982 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCc3n[nH]cc32)c(C)cc1Br 408203228 BZBQRSPYOBVQHT-UHFFFAOYSA-N 370.272 2.931 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc3ccc(F)cc3nc2C)C1 779851147 VTPLJBKLZZINSF-RHSMWYFYSA-N 370.384 2.976 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F 828537600 XKZGCTNKNGWLCS-CHWSQXEVSA-N 368.359 2.608 0 50 FFAA CCC(=O)N[C@H](C(=O)N1CCC2(CCC[C@@H]2CN)CC1)c1ccccc1 1875277942 OSQJZWVGLARSOS-MJGOQNOKSA-N 357.498 2.622 0 50 FFAA CCC(=O)N[C@H](C)C(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1 1875252440 YNPUKRLPELAHFK-GFCCVEGCSA-N 372.387 2.990 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)[C@@H](C)C1 1875371001 LEAWSJDBRAGPDE-LBPRGKRZSA-N 359.813 2.854 0 50 FFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 1875317136 OPHGPBAVQDVHNN-RHSMWYFYSA-N 354.410 2.598 0 50 FFAA CN1CCc2cc(C(=O)N3CCC[C@@H]3CCNC(=O)CC3CC3)ccc21 1875349834 OVEFHDHCTHQBGY-GOSISDBHSA-N 355.482 2.590 0 50 FFAA COc1cc2c(cc1O)CCN(Cc1ccc3c(c1)CCC(=O)N3C)C2 887106762 MQBMPZNBIIKXML-UHFFFAOYSA-N 352.434 2.868 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1cc(-c2cc3ccccc3o2)[nH]n1 888102545 XCUWTAKBEWRPJV-GFCCVEGCSA-N 373.434 2.976 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 2100477985 QGPJVZAGXINOQH-UHFFFAOYSA-N 355.438 2.629 0 50 FFAA CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@]2(C3CCOCC3)CCNC2)CC1 2325768822 UQKCWKKZYUFRFE-SFHLNBCPSA-N 366.546 2.883 0 50 FFAA Cc1ccc(NS(C)(=O)=O)cc1-c1ccc(Cn2cc(CO)cn2)cc1 2325843628 KWCONZSYDRMRQG-UHFFFAOYSA-N 371.462 2.771 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@H]2c2cccs2)C1 2325888653 NNLIRQBWJAPHPX-KGLIPLIRSA-N 350.509 2.789 0 50 FFAA COc1cc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1 1116038 HSYDJKZQERDIIG-UHFFFAOYSA-N 368.389 2.719 0 50 FFAA CCc1c(C)sc(NC(=S)NCc2cc(C)n(C)n2)c1C(=O)OC 1121212 KAFRKFWJEHNBQI-UHFFFAOYSA-N 366.512 2.934 0 50 FFAA CN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(Cl)cc1 1142172 TYPCPSGNROLIRP-UHFFFAOYSA-N 374.796 2.877 0 50 FFAA Cc1noc(C)c1CN1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356133778 CQMKINKABCEMHU-HXUWFJFHSA-N 354.454 2.844 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CCC[C@@]2(CCc3cnc(C)nc32)C1 2356160129 FAWZTIMUOCVKBW-OAQYLSRUSA-N 365.433 2.692 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(C)C)C2)cc1 2850878 TVGDZIJOLLIBPX-MRXNPFEDSA-N 352.500 2.558 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2877662 JBDPXSSBWLUGDK-SJORKVTESA-N 360.410 2.746 0 50 FFAA COc1cccc(OCC(=O)NCc2nc(-c3cccc(C)c3)no2)c1 4512636 NCDZSIQSBFKEGO-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA Cc1cccc(N2CCN(S(=O)(=O)c3cccc(C(=O)O)c3)CC2)c1C 6710166 FBKFUQDXYDTTNT-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA NC(=O)[C@@H]1Cc2ccccc2CN1Cc1c[nH]nc1-c1ccc(F)cc1 55224657 WTHPLNDCZPOYSJ-SFHVURJKSA-N 350.397 2.628 0 50 FFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(COc4ccccc4)nc3c12 9183983 CNIVWXSJRVUDDA-UHFFFAOYSA-N 364.453 2.836 0 50 FFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2cc(C(C)(C)C)[nH]n2)C1(C)C 55359605 CDKZXNHFCRYUEK-VLIAUNLRSA-N 362.518 2.902 0 50 FFAA OCC[C@@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1F 20911149 HQVOYNDFOJNJQO-MRXNPFEDSA-N 370.559 2.543 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)no2)CC1 67820946 HZVBUVVNOHCNOL-OAHLLOKOSA-N 374.460 2.784 0 50 FFAA O=C(COc1cccnc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 23145966 NLHFJJFFHISGTN-UHFFFAOYSA-N 352.369 2.575 0 50 FFAA CCOc1cc(C)c(CN2CCC3(CC2)C(=O)NCCN3C)cc1C(C)C 67758186 OOUGKQLEEFNNQI-UHFFFAOYSA-N 373.541 2.913 0 50 FFAA C[C@H](O)CNC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 23250840 XWUZRDLWSIWVAI-HNNXBMFYSA-N 365.433 2.757 0 50 FFAA Cc1ncccc1OC1(C(=O)N(C)[C@@H](C)c2nccs2)CCNCC1 65395632 GEXMGHIXNZDIPC-AWEZNQCLSA-N 360.483 2.567 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@@H]1c1ccc(F)cc1 67833711 YXXZTLAXEWHHHN-LJQANCHMSA-N 373.428 2.748 0 50 FFAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(NCc2ccco2)n1 22607781 ZQKYCJDAQRPISS-UHFFFAOYSA-N 366.425 2.731 0 50 FFAA CN(C)c1nc2sc(C(=O)N3CCCC[C@H]3C3OCCO3)cc2s1 170620430 DKNJTDAVZHUESX-JTQLQIEISA-N 367.496 2.791 0 50 FFAA COc1cc(CN2CCC[C@@H](CNC(=O)c3cc(C)on3)C2)ccc1F 12315568 USKDTKKUIGXUEX-HNNXBMFYSA-N 361.417 2.773 0 50 FFAA Cc1cccn2cc(C[S@@](=O)CCCn3c(=O)oc4ccccc43)nc12 170656608 FELPVLWUXMDLHI-SANMLTNESA-N 369.446 2.890 0 50 FFAA CCc1ncsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328636026 VHYWUYOIUYENOP-XJKSGUPXSA-N 361.515 2.594 0 50 FFAA CCN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 121766150 FMXQDKPVJMTVEH-INIZCTEOSA-N 351.466 2.905 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2nc(C(C)C)ns2)CC1 328646969 SYZXLNIGYRGRIS-INIZCTEOSA-N 374.514 2.859 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)c1cc2ccc(Cl)cc2n1C 215978689 MYVJECJQHUMFDS-UHFFFAOYSA-N 356.875 2.632 0 50 FFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncnc3c2cnn3C(C)(C)C)cn1 328618487 DSLKEZJFSQSWGW-HIFRSBDPSA-N 368.445 2.587 0 50 FFAA N[C@H]1CCCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 158025919 PEOVDJTXDRHKCT-JTQLQIEISA-N 350.772 2.506 0 50 FFAA CNc1cc(C)nc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77288187 UDYXMLPLYDQCKN-FQEVSTJZSA-N 357.502 2.978 0 50 FFAA COc1ccc(-c2ncc(CN3CCC[C@]4(C3)CN(C)C(=O)O4)cn2)cc1 72409467 JBMXAUOGTUSBOB-HXUWFJFHSA-N 368.437 2.569 0 50 FFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NCc1ccnc(OCC2CC2)c1 159325514 JEICMMNKMFTZKY-UXPWSPDFSA-N 359.514 2.849 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1nc2ccccc2n1C(C)C 215307452 ODCCPEJDHUBBKE-UHFFFAOYSA-N 367.453 2.566 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1O)N1CCC(Oc2cnccn2)CC1 373249818 LHZQTTCZUQAJQO-UHFFFAOYSA-N 367.327 2.885 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)CCn3ccnc3C)C2)cc1 77503286 PLUSUFSDSFRHIU-QGZVFWFLSA-N 357.454 2.908 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1cccc([C@H]3CCNC3)c1)CC2 72152166 POZXIOYYYYUNIT-SFHVURJKSA-N 366.461 2.979 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@H](OCC(C)C)C2)C1 158804164 PCJFKDNTDQHOTC-SJORKVTESA-N 361.486 2.730 0 50 FFAA O=C(NC[C@H]1CCCNC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 333882533 WMPXBLAUZPUYGU-BLLLJJGKSA-N 355.841 2.562 0 50 FFAA O=C(COCc1ccccc1)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77536650 QQIWMZATLOLMMX-JOCHJYFZSA-N 370.493 2.844 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c1 223188797 FDJANNZHYMHMNT-WOJBJXKFSA-N 355.434 2.558 0 50 FFAA O=C(NCCc1nc(C2CCCCC2)cs1)[C@@H]1CCc2[nH]nnc2C1 283227289 YQNLOLUJHUYPPU-CYBMUJFWSA-N 359.499 2.773 0 50 FFAA CC(C)n1cnnc1CCNC(=O)c1csc(Cc2ccccc2)n1 85479496 JRDPMFGUFHUTLU-UHFFFAOYSA-N 355.467 2.879 0 50 FFAA C[C@@H](CN1CCCC1=O)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 173670034 UFEODMCXLDIENB-LBPRGKRZSA-N 355.413 2.992 0 50 FFAA O=C(c1cncc(-c2cc(F)cc(C(F)(F)F)c2)n1)N1CCOCC1 426622940 LWVITTNGSMSYDP-UHFFFAOYSA-N 355.291 2.774 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)NC2(c3ccccc3)CC2)CC1 426389519 VTMYIRGSLQYMEN-HXUWFJFHSA-N 370.541 2.877 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)[nH]n1 91656256 FEVSQRIKABBAJK-KRWDZBQOSA-N 366.465 2.586 0 50 FFAA Cc1n[nH]cc1CN(C)C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 426440349 SAZZLMXKGINMIK-GOSISDBHSA-N 355.486 2.739 0 50 FFAA O=C(NCCc1ncnn1C1Cc2ccccc2C1)c1ccccc1F 91288907 IRJIPMPLSHLFLI-UHFFFAOYSA-N 350.397 2.730 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)c1nc(-c2ccncc2)no1 426567188 ZMXOHZAAFHBDAS-CYBMUJFWSA-N 369.429 2.548 0 50 FFAA O=C(NCc1ccccn1)N1CCC([C@H](O)CCc2ccccc2)CC1 426552026 ORHASMWPGHVRIR-HXUWFJFHSA-N 353.466 2.997 0 50 FFAA CC(C)Cc1cc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)on1 91350653 OOYIWRPFLOZTKB-UHFFFAOYSA-N 370.365 2.582 0 50 FFAA Cc1[nH]nc(CCC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c1C 97713731 OKHDYZIIAJGAAI-IBGZPJMESA-N 354.498 2.955 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]c1C)CC2 91746949 LJBDQXHCGJJYOK-UHFFFAOYSA-N 355.486 2.836 0 50 FFAA C[C@H](Cn1cccn1)C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91678424 BTSYYGBTKJRXSQ-QGZVFWFLSA-N 372.513 2.693 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)cc1 95390260 JCHBOZBTOKCFJS-MRXNPFEDSA-N 368.437 2.723 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCNC(=O)c1cccnc1 91988035 OFYGZCBTHMDFKE-UHFFFAOYSA-N 364.449 2.577 0 50 FFAA CCN(C(=O)Nc1ccc(-c2ccccc2OC)cc1)[C@H]1COC[C@@H]1O 95510282 AUHCPVUDFJZCTQ-ROUUACIJSA-N 356.422 2.976 0 50 FFAA CC(C)c1nnsc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91435222 BRIYQULSZVZALD-UHFFFAOYSA-N 371.466 2.701 0 50 FFAA Cc1cnc(CNC(=O)c2cc(OCC3CCC3)cc(C(=O)O)c2)cn1 97492522 KKWZTXVRYSRFAL-UHFFFAOYSA-N 355.394 2.592 0 50 FFAA CCc1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 95355909 LNPPGEVCTLOTPR-CQSZACIVSA-N 364.409 2.504 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 237024231 YFHASXORNJPLPH-QGZVFWFLSA-N 366.417 2.934 0 50 FFAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1[nH]cnc1C(=O)O 97759334 RIPPRVBPSSYPIC-KRWDZBQOSA-N 352.394 2.985 0 50 FFAA Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@H]2[C@@H](C)O)cc1F 245204393 AOETUOPIFXUJJP-OHQAAIJDSA-N 352.494 2.861 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCSc2ccccc21 294276505 SQTHSLBUFZWVEO-LZWOXQAQSA-N 360.479 2.843 0 50 FFAA CC[C@H](CO)N1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 181722912 VAFDREWSIXDWDT-CYBMUJFWSA-N 367.465 2.977 0 50 FFAA CC(C)CCNC(=O)c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12 263617034 LTMACTQPMJJVRX-UHFFFAOYSA-N 359.817 2.926 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CC=C(C(F)(F)F)CC1 270548376 YMWVKOXWBMMGHQ-UHFFFAOYSA-N 368.359 2.705 0 50 FFAA COc1nccnc1-c1cccc(C(=O)NCCCn2nc(C)cc2C)c1 299776245 MLTWCHLPEAOYRE-UHFFFAOYSA-N 365.437 2.786 0 50 FFAA COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(O)cc(C)n(C)c1=O 824134525 FSRSSZVUPBQFLC-OAHLLOKOSA-N 352.390 2.643 0 50 FFAA biogenic COc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1C(=O)N(C)C 824704424 HZLCFEFQFMUXNX-UHFFFAOYSA-N 364.405 2.835 0 50 FFAA O=C1OCCN1c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F 794602470 CLIWRSXLTVGUCX-UHFFFAOYSA-N 372.324 2.861 0 50 FFAA CCOc1ccccc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616069850 JLLLLINVPUSWEF-ICSRJNTNSA-N 366.461 2.983 0 50 FFAA Cn1nccc1CN1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 1529195947 SAXLROHSFNXQCX-GOSISDBHSA-N 352.482 2.575 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCN12 1529190978 QQXZGMIXCJCTHJ-DLBZAZTESA-N 355.438 2.667 0 50 FFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(CN3CCCCC3)s1)C2 1772701649 RENLKDMBUVYIAL-VQIMIIECSA-N 350.528 2.565 0 50 FFAA Cc1cc(C(=O)N2CCCN(c3cnc4ccccc4n3)CC2)cc(C)n1 1772809859 GAPVGVVMFZGPCD-UHFFFAOYSA-N 361.449 2.994 0 50 FFAA CCOC(=O)[C@H]1CCCN(Cc2cc3ccc(Cl)cc3n(C)c2=O)C1 12039152 OPAJFXAHMRMLPY-AWEZNQCLSA-N 362.857 2.967 0 50 FFAA O=C(CCCn1cncn1)N1CCO[C@H](Cc2cccc3ccccc23)C1 11816100 RUDNLFXVASZWOS-LJQANCHMSA-N 364.449 2.682 0 50 FFAA Cc1cc(C)n(CC(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)n1 12206603 VGWCEMQUTHDHTI-FQEVSTJZSA-N 354.498 2.665 0 50 FFAA O=C(NCCn1ccc2ccccc21)c1cn(CCc2ccccc2)nn1 12438069 UGBOHYCVYWNYHW-UHFFFAOYSA-N 359.433 2.906 0 50 FFAA CCOC(=O)N1CCC(N2CCC[C@@H](CCC(=O)N3CCCC3)C2)CC1 15066321 IKHLRULBABKYGW-KRWDZBQOSA-N 365.518 2.722 0 50 FFAA O=C1NC[C@@H](NCc2ccc(F)cc2F)n2nc(-c3ccccc3)cc21 169779248 ZTDLBBVZPPFBLO-SFHVURJKSA-N 354.360 2.860 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCC(=O)NC1CCCC1 152632423 JZOWTNGVBLHBDJ-KRWDZBQOSA-N 357.498 2.558 0 50 FFAA O=C(c1c(F)cccc1F)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857699591 VFRFUDYPOOMQSL-HXUWFJFHSA-N 372.371 2.854 0 50 FFAA Cc1nccn1CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 333722108 IIXMTCCTOXXNGK-DOTOQJQBSA-N 350.825 2.546 0 50 FFAA N[C@H]1CCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc2NC1=O 912115582 FZUNLSHCSMMVDT-SFHVURJKSA-N 367.424 2.843 0 50 FFAA CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCc2[nH]ncc2C1 154181188 QKGWLAWLIAGMMX-SFHVURJKSA-N 355.486 2.560 0 50 FFAA Cc1ccccc1-c1ccccc1C(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2C 1704313124 GCXFNJYHAMCEGF-SJORKVTESA-N 364.445 2.591 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccncc2)CN(CCOCC(F)F)C1 952892983 QKXVTOVLABEJRW-UHFFFAOYSA-N 350.413 2.933 0 50 FFAA C[C@@H](NC(=O)C(=O)N[C@H](C)c1cscn1)c1ccc(C(F)(F)F)nc1 875447403 IIAXSVJEDQFZFH-RKDXNWHRSA-N 372.372 2.612 0 50 FFAA CCc1cnccc1C(=O)Nc1cccc(CCN2CCN(C)CC2)c1 1875256053 LKRNIOSCDMLVCT-UHFFFAOYSA-N 352.482 2.686 0 50 FFAA O=C(Cc1csc(-c2ccccn2)n1)NCc1ccc2c(c1)CC(=O)N2 1875252549 JCYSPXRMFGTCDJ-UHFFFAOYSA-N 364.430 2.559 0 50 FFAA C=CC(=O)NC1CCC(N(C)C(=O)[C@H]2CCc3cccc(OC)c32)CC1 1875385759 AZBPAHGTYQTKFM-JCYILVPMSA-N 356.466 2.797 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 1875370718 ALDXRLFZDNVGQU-INIZCTEOSA-N 356.466 2.874 0 50 FFAA C=CC(=O)N[C@H](CCN(C)C(=O)c1cccc2c1OCCCO2)C(C)C 1875386485 RLLJJWZNNCNJNV-MRXNPFEDSA-N 360.454 2.637 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)C2(C)CC(C)(C)C2)C3)o1 1875407078 SHWQBBIEGSPSHP-GJZGRUSLSA-N 359.470 2.791 0 50 FFAA O=C1Nc2ccccc2C(C2CCCC2)=N[C@@H]1C[C@@H]1CCS(=O)(=O)C1 2325771685 FSKYXGKWQQJWCU-SUMWQHHRSA-N 360.479 2.811 0 50 FFAA CC(C)[C@H]1CC[C@H](C(=O)N(C)CCN(C)C(=O)C[C@](C)(O)C2CC2)CC1 2325793137 GUUFYHKKILWSKR-FIKGOQFSSA-N 366.546 2.917 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cn3)CC2)C1 2325799459 AELCBZSIAWFMBW-UHFFFAOYSA-N 364.389 2.680 0 50 FFAA CC1(C)OC(=O)c2c(C(=O)N3CCC[C@H](c4cc(O)n[nH]4)C3)cccc21 2325803029 JUJQMMOBSUTHJA-NSHDSACASA-N 355.394 2.541 0 50 FFAA C[C@H](c1cn(-c2ccccc2)nn1)N1CCN(Cc2ccc(O)cc2)CC1 1473735210 VBLLCNTZPNWFOK-QGZVFWFLSA-N 363.465 2.852 0 50 FFAA CCC(=O)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl 2706990 LPIAISLXGLKYIC-SNVBAGLBSA-N 370.689 2.901 0 50 FFAA CCCCNC(=O)CSc1nnc(NC(=O)c2ccccc2)s1 3000269 CFUSCIGLSLKDJL-UHFFFAOYSA-N 350.469 2.799 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2CCC[C@@]23CCCNC3=O)cc1 2356158097 CQHQEXQBGHSYBN-LJQANCHMSA-N 364.511 2.853 0 50 FFAA NC(=O)COc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 6732492 BSJANWBHLKFGRU-UHFFFAOYSA-N 359.769 2.833 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)COc1ccc(F)cc1F 55369562 RPDIYCLNRREJEW-UHFFFAOYSA-N 353.369 2.974 0 50 FFAA Cc1ccccc1NC(=O)CC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 55405206 MMXDSTCKQSFWOX-UHFFFAOYSA-N 354.454 2.865 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)NCCCN1CCCc2ccccc21 9688442 RASXJBKCZBWRKZ-UHFFFAOYSA-N 365.433 2.554 0 50 FFAA Cc1nonc1OCCNC(=O)c1cccc(NCc2cccnc2)c1C 55327969 LAZJCWQCLWGZRQ-UHFFFAOYSA-N 367.409 2.502 0 50 FFAA CCCN(CCC)C(=O)Cn1c(CN2CCOCC2)nc2ccccc21 21785189 JSSWQIYKCJGRQU-UHFFFAOYSA-N 358.486 2.517 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101329125 GNJJSSHAHRDIAE-LAQRGFTBSA-N 352.434 2.557 0 50 FFAA NC(=O)CCN1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67643332 SJIKTXQULHEYMR-UHFFFAOYSA-N 360.461 2.823 0 50 FFAA NC(=O)c1ccc(CNC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1 119030063 IIKPJVCHXAMTCK-GOSISDBHSA-N 352.438 2.572 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2ccccn2)C[C@@H]1CCO 22932551 BCBZHSQWXNJVLH-IBGZPJMESA-N 356.514 2.787 0 50 FFAA O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccccc1)NCc1cccnc1 61720500 MFLDSHISLOJKKE-OAQYLSRUSA-N 372.428 2.965 0 50 FFAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1csnn1 12715891 JXXOKFFRMKRJSC-GFCCVEGCSA-N 361.377 2.809 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccco2)CC1 815052 BJNJECGRLOGVSE-UHFFFAOYSA-N 351.362 2.533 0 50 FFAA Cc1ccc(S(=O)(=O)c2cnc3c(-c4ccccn4)cnn3c2N)cc1 1399472 YBSJDCNUAWDOJK-UHFFFAOYSA-N 365.418 2.515 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)c(=O)[nH]1 71764276 ISRFOODGRZNNNF-INIZCTEOSA-N 355.438 2.715 0 50 FFAA CCn1ccnc1[C@@H](NCc1ccc(C(=O)NC)cc1)C1CCOCC1 284755942 OGXMWNZZWIJWAY-SFHVURJKSA-N 356.470 2.520 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2cccnc2N)[C@@H]2C3CCN(CC3)[C@H]12 72144870 FGWRFYCQMVJMOP-CEWLAPEOSA-N 364.493 2.735 0 50 FFAA Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)cn1 72418944 QZRXQUHIENPVEA-PKOBYXMFSA-N 370.497 2.764 0 50 FFAA COc1ccccc1N1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 153035269 LPNLXZHPOTWGNV-QGZVFWFLSA-N 372.490 2.741 0 50 FFAA COc1ccc(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1OC 72154686 UIAZJNYAMHNNMH-RTWAWAEBSA-N 368.477 2.530 0 50 FFAA COc1ccc(Oc2cccc(CN3CC[C@](O)(CN(C)C)C3)c2)cc1 72425174 ALFLTLBMSZUBNZ-NRFANRHFSA-N 356.466 2.986 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@H](C)[C@H]3CN)o2)cc1 156590653 GSPCEAKCWKZPJF-WMLDXEAASA-N 357.454 2.869 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1CCCN(C2Cc3ccccc3C2)CC1 72439950 YDAJZYCYFDLAQR-UHFFFAOYSA-N 360.461 2.878 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(O)c1 71776017 CZMMSUIFEPCITL-SFHVURJKSA-N 358.369 2.703 0 50 FFAA Cn1cc(NC(=O)CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 72166237 KCUZTDFXQJWKHR-IRFCIJBXSA-N 368.481 2.511 0 50 FFAA Cc1c(C(=O)N2CCN(Cc3cncnc3)CC2)sc2ccccc12 130207342 QOUAZGXUZVLKAP-UHFFFAOYSA-N 352.463 2.958 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)[nH]n1 82097165 CBCYHGHTUZXZRN-MRXNPFEDSA-N 365.437 2.632 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H]1CC[C@H]2C1NCc1ccccc1 138965565 RAKHRCAHNDHPHV-ZRNYENFQSA-N 360.457 2.986 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)c1ccccc1N1CCOCC1)C2 223091462 OCNZHEFCLAHKNH-UHFFFAOYSA-N 352.434 2.730 0 50 FFAA CCOCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@@H]1C 82108366 DNNCPFNRQFOKQL-INIZCTEOSA-N 352.434 2.954 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@H](Cn3cc(CC(C)C)nn3)C2)[nH]n1 48066938 CMLANQWREOLFPZ-HNNXBMFYSA-N 358.490 2.705 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)c3onc4c3CCCC4)CC2)CC1=O 426396692 XEFRLGYIDXMMKU-UHFFFAOYSA-N 371.481 2.974 0 50 FFAA COC(=O)c1cccc(-c2cccc(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4O)c2)c1 426506832 PLKTVZWDNLBFTK-PMOLBWCYSA-N 365.429 2.983 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCC(Cn3ccnc3)CC2)c1C 426535994 YZWMWLJCFSJLTB-AWEZNQCLSA-N 371.485 2.789 0 50 FFAA CN(CCN1CCCCCC1)C(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 426380347 IEXOLQQYWUAJJW-UHFFFAOYSA-N 369.465 2.994 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2nnc([C@H]3CCCO3)s2)[C@H]1c1ccccc1 238950703 ZKIPKPXGNRMWDA-GZBFAFLISA-N 372.450 2.548 0 50 FFAA CC(C)N1CCC(CC(=O)NCc2csc(-c3ncccn3)n2)CC1 95357508 DJNITQZYOIJNOV-UHFFFAOYSA-N 359.499 2.727 0 50 FFAA CN(OCc1ccccc1)C(=O)NC1CCN(Cc2ccncc2)CC1 181687784 OKHZWLOTMGXWEL-UHFFFAOYSA-N 354.454 2.819 0 50 FFAA Cc1nc2ccccn2c1CC(=O)N(C)Cc1cc(-c2cccnc2)no1 91320059 WZPIXVQMVOTURU-UHFFFAOYSA-N 361.405 2.894 0 50 FFAA Cc1ccsc1CN(CC(C)C)C(=O)NCCSc1nnnn1C 426488412 VQFPZJDWXMCJFL-UHFFFAOYSA-N 368.532 2.540 0 50 FFAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCN(Cc2cccnc2)CC1 97601045 VEOKXDHSOSIZSS-NRFANRHFSA-N 364.493 2.507 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c(=O)[nH]c1C 95375605 OFEWBEKDZQNGEF-OAHLLOKOSA-N 370.453 2.683 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)c1csc(Cc2ccccc2)n1 97674393 FUDMVZNOBBRLOO-UHFFFAOYSA-N 356.476 2.966 0 50 FFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239415208 TZRBMJVRIHUIBQ-LXSMPZMBSA-N 364.445 2.684 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1cccc(-c3cn[nH]c3)c1)CC2 97694949 VAFYTGAPLQAEGO-SFHVURJKSA-N 355.438 2.877 0 50 FFAA CN1CCC(N2CCC[C@H]2c2ncnn2C2Cc3ccccc3C2)CC1 91586138 GILBLZGCTCSHBD-FQEVSTJZSA-N 351.498 2.849 0 50 FFAA COc1ccc2ccccc2c1CN1CCn2nc(CNC(C)=O)cc2C1 91603734 UHIDANJKFPQFCH-UHFFFAOYSA-N 364.449 2.697 0 50 FFAA COc1c[nH]c(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)cc1=O 97468341 KQMCOWPDKHMBBG-LBPRGKRZSA-N 352.394 2.607 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2CCC[C@H](CN3CCCC3=O)C2)c1 244794622 QQNIKBWROPLKQM-SFHVURJKSA-N 357.498 2.966 0 50 FFAA COCCc1noc([C@@H]2CCCN2CCC(=O)Nc2ccccc2C)n1 244708287 KRABJYSECDKENK-INIZCTEOSA-N 358.442 2.733 0 50 FFAA CC(C)CCC(=O)NCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183055011 ICHCXMNPRQHRAW-UHFFFAOYSA-N 374.407 2.618 0 50 FFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NC1CCCCCCC1 252537629 LWUNVQAAZFMZAQ-QGZVFWFLSA-N 357.454 2.931 0 50 FFAA O=C(CC1Cc2ccccc2C1)N(CCN1CCOCC1)Cc1ccco1 252505387 VQQAGNXDXFGNAA-UHFFFAOYSA-N 368.477 2.746 0 50 FFAA O=C(O)[C@H]1CCCN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 299738464 BBSNPOILQGCBTO-VQIMIIECSA-N 370.474 2.771 0 50 FFAA CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc2c(c1)OCO2 184562163 PMYBWKKRWUZSSW-UHFFFAOYSA-N 351.366 2.902 0 50 FFAA CC[C@H](NC(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccnn1C 534580236 QLGCFIXIIPHFDD-HNNXBMFYSA-N 360.458 2.773 0 50 FFAA CC(C)=CCN1CCC2(CC[C@H](CNC(=O)Cc3cc(C)no3)O2)CC1 299777054 NOMJHVNWFPYEOX-QGZVFWFLSA-N 361.486 2.622 0 50 FFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1ccsc1)C2 299785517 TVOWWNUFPIZRMO-SNVBAGLBSA-N 363.464 2.615 0 50 FFAA CCCNS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1 299761575 KZLWYTIVCUIOPK-GASCZTMLSA-N 363.483 2.805 0 50 FFAA CSc1cccc(NC(=O)N2CCOC3(CCN(C(C)=O)CC3)C2)c1 824944203 CZERSRZXWAOUGU-UHFFFAOYSA-N 363.483 2.654 0 50 FFAA CC[C@H](C)Cc1nc(-c2ccc(=O)n(C)n2)n(-c2ccc(OC)cc2)n1 822620007 JAJOZEPPTFVXKW-ZDUSSCGKSA-N 353.426 2.625 0 50 FFAA CC(C)[C@@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)N1CCCC1 584903498 BYRWJEFRGMMPCW-HXUWFJFHSA-N 374.529 2.893 0 50 FFAA Cc1ccc(C)c(C(=O)NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)c1 952849012 PXDFHVMBEBVLMN-ZMSDIMECSA-N 355.438 2.848 0 50 FFAA Cc1nc2cc(C(=O)N3CC(OC(=N)O)C3)ccc2n1Cc1ccsc1 1875296288 NWLYNIUZKYRVCL-UHFFFAOYSA-N 370.434 2.788 0 50 FFAA Cc1cccc2c(C(=O)Nc3cnn(C4CCN(C)CC4)c3C)n[nH]c12 1875320835 MOAVGSRMURJEIO-UHFFFAOYSA-N 352.442 2.895 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1 1875373572 GKWQDJLBEVOHFL-KRWDZBQOSA-N 352.438 2.719 0 50 FFAA O=C(NC[C@H](NC(=O)c1cocn1)C1CCCC1)c1coc(C2CCC2)n1 1875328262 IOQBXDUBPZIYNU-AWEZNQCLSA-N 372.425 2.649 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2c[nH]nc2-c2nccs2)cc1 1875373798 OVRFWVWUNCACNJ-UHFFFAOYSA-N 353.407 2.934 0 50 FFAA CN(C)C/C=C/C(=O)N[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875376544 AMUYIJYZKWKZEL-YFZXXLGGSA-N 365.518 2.694 0 50 FFAA COc1cc(C)ccc1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnc(C)[nH]2)CC1 1875340742 PLGSLROHVQSONH-SHTZXODSSA-N 370.453 2.506 0 50 FFAA Cn1cc(OC2(C(=O)NC[C@H]3C[C@H](OC(C)(C)C)C34CCC4)CC2)cn1 1875404222 ABIIPYDCLJBRBG-ZBFHGGJFSA-N 361.486 2.822 0 50 FFAA CC(C)[C@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@H]1NC(=O)N(C)C 1565528627 NYEOJLYEGNCLMI-ZBFHGGJFSA-N 361.515 2.866 0 50 FFAA CCn1c(CCNC(=O)c2cc(C(C)C)nc(N)n2)nc2ccccc21 952866544 BTYKZRRUABFWII-UHFFFAOYSA-N 352.442 2.524 0 50 FFAA CC(=O)c1c(C)cc(NC(=O)C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1C 890056277 TZUVIMVICZVMCR-NVXWUHKLSA-N 360.454 2.764 0 50 FFAA C[C@H]1CCc2c(C(=O)N3CCC[C@H](N(C)CC(=O)O)CC3)csc2C1 186663333 BCLQKTOCJLRREF-KBPBESRZSA-N 364.511 2.884 0 50 FFAA COc1ccc(NC(=O)c2csc(C(C)C)n2)cc1-n1nnnc1C 170659297 ZELLSOBNAUXWKG-UHFFFAOYSA-N 358.427 2.812 0 50 FFAA Cc1ccnc(-n2nccc2NC(=O)N(C)CC[C@H]2CCCCN2C)c1 189817935 KSNHHRIQIZREIY-MRXNPFEDSA-N 356.474 2.914 0 50 FFAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(C)[C@@H](C)c1ccco1 195342463 SZRGDWAPVXSARZ-AWEZNQCLSA-N 366.421 2.886 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(CCCO)C(C)C)cc1Cl 1506424501 LQMHOWRDROOTKW-UHFFFAOYSA-N 356.271 2.784 0 50 FFAA Cc1cc(=O)n(CCN2CCC[C@@H](c3nc4ccccc4s3)C2)c(O)n1 1529095659 RXISLMXUIQTNID-CQSZACIVSA-N 370.478 2.747 0 50 FFAA Cc1noc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)c1-c1ccccc1 1529196258 WYBAVNHQBJOUFB-GASCZTMLSA-N 366.425 2.936 0 50 FFAA COc1ccc([C@H]2CN(c3ncnc4sccc34)C[C@@H]2NC(C)=O)cc1 216900743 RMRFZHOBVDNDMN-SJORKVTESA-N 368.462 2.808 0 50 FFAA COc1ccc(CN2C[C@H](c3ccccc3OC)[C@@H](C(=O)O)C2)cc1O 222402865 WVVKTNCGBVBCGP-CVEARBPZSA-N 357.406 2.710 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3nccc(C)n3)CC1)OCC2 1704325788 RNUQKSZBBAAZHI-UHFFFAOYSA-N 355.438 2.871 0 50 FFAA CO[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1Cc1cc(C)no1 1704350973 SIOQXNMZOCXAMX-APWZRJJASA-N 353.422 2.654 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615726991 XXDVSCBLBFLQJE-RDJZCZTQSA-N 364.367 2.705 0 50 FFAA Cn1ccc(C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1=O 1772814400 XAKXSXQVPYRCOS-UHFFFAOYSA-N 372.899 2.669 0 50 FFAA O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(Cl)cc1 20522573 GVDFWXQZXDINGK-UHFFFAOYSA-N 357.885 2.774 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772706465 SAYQDPISDMEKND-IFMALSPDSA-N 351.446 2.754 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 11817842 JFXPJVALUFGKRC-UHFFFAOYSA-N 362.437 2.809 0 50 FFAA CN(CC1CCOCC1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12075304 ZAUGNDRZYUQJJX-KRWDZBQOSA-N 350.503 2.833 0 50 FFAA COc1ccccc1Cn1c(-c2ccccc2)nc(C)c(CCO)c1=O 169754342 NFRGIMWPKRPAER-UHFFFAOYSA-N 350.418 2.810 0 50 FFAA COc1ncc([C@@H](C)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1Cl 1857530081 QNVRLXOLSIRFBL-HSMVNMDESA-N 350.850 2.906 0 50 FFAA O=C(NCCc1sccc1Br)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 1857530150 CXDWVAXOLAMBFA-DYNIEEOBSA-N 373.316 2.759 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2occc2[nH]1 1857532741 OPIQIFJJEDHIAB-ABAIWWIYSA-N 355.398 2.691 0 50 FFAA Cc1ncsc1CN1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857727704 YHDRWRBVKLHIHN-WDYCEAGBSA-N 355.463 2.726 0 50 FFAA O=C(c1ccn2nccc2c1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1875244978 DTJHOBGBXVKMFH-UTKZUKDTSA-N 372.428 2.558 0 50 FFAA CCc1[nH]nc(C(=O)N[C@H](CCO)C2CCCCC2)c1Br 331346657 RLWGUQUDSBKSDB-GFCCVEGCSA-N 358.280 2.796 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CCC[C@@H]([C@@H](C)N)C1 237121365 DNTLNZDKASJAHO-TZMCWYRMSA-N 369.303 2.976 0 50 FFAA O=S(=O)(C[C@H]1CCOC1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 247308745 FPOQBWNGOXSPBD-KBPBESRZSA-N 370.540 2.568 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)nc1O 253534401 XJRRLAODCGFQDV-WQVCFCJDSA-N 370.405 2.994 0 50 FFAA COc1ccccc1N1CC[C@@H](C)N(C(=O)c2n[nH]c3c2CCC3)CC1 364178276 DRGCVVXGKYUZKO-CQSZACIVSA-N 354.454 2.648 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 261649821 FHRAHYXPHOLHNI-SNVBAGLBSA-N 351.200 2.867 0 50 FFAA CNc1cc(N2CCC[C@H]2CNc2ccc(OC(F)F)cn2)ncn1 161917368 HRUBMFUVSYYNCE-NSHDSACASA-N 350.373 2.596 0 50 FFAA CN(C)Cc1ccc(-c2noc([C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 267112652 ZJDFJESFVHQNPB-INIZCTEOSA-N 366.421 2.907 0 50 FFAA Cc1ccc(-c2ccc(C(=O)O)c(N3C[C@H]4COC[C@@H](C3)CN4C)n2)s1 1704330983 ITCAGXQJHKKRSF-KGLIPLIRSA-N 373.478 2.584 0 50 FFAA COc1cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc(=O)c2cc1OC 2500855 FTLLQIHCADVQPM-UHFFFAOYSA-N 373.361 2.898 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)CC(=O)N2 18006436 DEVWZAYGTSUGHO-VIFPVBQESA-N 366.240 2.728 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NC[C@H]1CCC[C@H](c2ccccc2)CC1 2325797028 TULJVRXQGBCNHZ-YJBOKZPZSA-N 356.466 2.910 0 50 FFAA COc1c(C(=O)N[C@@H]2C[C@H](CC(=O)O)C2(C)C)cnn1-c1ccccc1 2325812718 BMUKSCLCXIHKFX-IUODEOHRSA-N 357.410 2.500 0 50 FFAA CC[C@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 2325867853 HMAPJAPCSUSSEN-JVPBZIDWSA-N 353.466 2.977 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c3c(c2)OCCCO3)C1 2325888482 WQRMCVXUAIYRFZ-LBPRGKRZSA-N 364.829 2.864 0 50 FFAA CNC(=O)c1ccc(C2(F)CN(C(=O)c3cccc4cnccc34)C2)cc1 2325898650 QDOAIZYWSPRGMG-UHFFFAOYSA-N 363.392 2.915 0 50 FFAA COc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 1197830 HAJWDNMQBRFCBJ-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCc2ccccc2Cl)CC[C@H]1O 2356141091 VJUCPPBZVKFXLW-CRAIPNDOSA-N 353.846 2.737 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cc(C)no3)C2)c2cccc(=O)n21 2356143140 WGVRACUIHSNFMQ-UXLLHSPISA-N 355.438 2.674 0 50 FFAA COc1cccc([C@H](O)CNC(=O)Cc2csc(-c3ccccc3)n2)n1 2356144377 VCIVHPZHMPBQRF-MRXNPFEDSA-N 369.446 2.606 0 50 FFAA COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 2852619 RTLSWZAAVYYDQB-LLVKDONJSA-N 368.842 2.654 0 50 FFAA CC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2988184 SVFMSRORGOPZFE-SECBINFHSA-N 353.271 2.674 0 50 FFAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(OCC)c(CO)c2)C1=O 2356149185 OOYKIVHDBOIDLR-OAQYLSRUSA-N 360.498 2.945 0 50 FFAA CN1CCN(C(=O)c2ccc(-c3cncc(N)n3)cc2)[C@@H](c2ccccc2)C1 2356157746 OXLGKKKQBTYFFO-HXUWFJFHSA-N 373.460 2.855 0 50 FFAA C[C@@H](CCCC(C)(C)O)CCN1CCC(Cc2nnc(CO)n2C)CC1 55325093 WSIVHUXDUOGBPX-INIZCTEOSA-N 366.550 2.529 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 67742978 DSOBDZBYHXVOKR-AWEZNQCLSA-N 350.426 2.777 0 50 FFAA CN1CC[C@@](C)(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67757946 LHBNPQFIBOARKH-LJQANCHMSA-N 360.433 2.542 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328627095 FVEYGONIULECIL-HNNXBMFYSA-N 369.469 2.658 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2CCCCn2ccnc2C)n1C 328642980 RGEMSZDGSIUJMM-GOSISDBHSA-N 357.502 2.897 0 50 FFAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN2CCOC[C@@H]2C1 329815832 FFAFXFISUFYJPW-KRWDZBQOSA-N 369.469 2.679 0 50 FFAA Cc1cc(S(=O)(=O)NCc2nc(CCc3ccccc3)n[nH]2)ccc1F 65403353 NXAJAXAXHUZFPD-UHFFFAOYSA-N 374.441 2.516 0 50 FFAA CCN1CCN(C2(CNC(=O)c3ccc(OC)cc3)CCCCC2)CC1 28292912 NIVYGHAKUQTQRZ-UHFFFAOYSA-N 359.514 2.765 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1ccccc1 332414920 TVABTGSGTLTJGJ-CTNGQTDRSA-N 371.525 2.977 0 50 FFAA Cc1ccnn1-c1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 332426602 CDSSJNQVOUGHQP-MRXNPFEDSA-N 353.344 2.710 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1444435 CYKNWLMLOIPISD-UHFFFAOYSA-N 366.508 2.884 0 50 FFAA COc1ccccc1O[C@@H](C)CNC(=O)N1CCOC[C@H](C2CCC2)C1 332973210 CYEWWAZSCYMNHZ-DOTOQJQBSA-N 362.470 2.921 0 50 FFAA C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Nc2ncccn2)cc1 444419521 ZDLZSGNHDBMKIE-LBPRGKRZSA-N 351.366 2.570 0 50 FFAA Cc1cc(NC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cn2ccnc12 333676098 OMZCIFYFXIHQQD-ROUUACIJSA-N 371.485 2.532 0 50 FFAA Cn1ncc2c1CCCN(C(=O)Nc1ncc(C3CCOCC3)s1)C2 333848088 WPMRYIRWSLXFRW-UHFFFAOYSA-N 361.471 2.751 0 50 FFAA C[C@@](CO)(CNC(=O)c1ccc(OCC2CC2)nc1)Cc1ccccc1 252482062 CXHIDXGDUXJPRD-NRFANRHFSA-N 354.450 2.842 0 50 FFAA C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(N3CCOCC3)cc2)C1 72436894 IXLNUXRIJFNZCU-ROUUACIJSA-N 359.514 2.621 0 50 FFAA COc1ccccc1-n1cnc2cc(C(=O)NCCC[C@H](C)O)ccc21 451275730 JAUZAXSDHNNCDZ-AWEZNQCLSA-N 353.422 2.925 0 50 FFAA COCc1nc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)no1 253396644 PUDJOIDCJPJJKT-MFKMUULPSA-N 357.332 2.543 0 50 FFAA COc1ccc(NC(=O)[C@@]2(C)CCCc3ccccc32)cc1OCC(N)=O 154255982 HFAKPMJZKNZRMW-NRFANRHFSA-N 368.433 2.792 0 50 FFAA CNC(=O)c1ccc(NC(=O)c2cn(-c3cccc(C)c3)nn2)cc1Cl 154549550 BKJVOYBEOOPOSR-UHFFFAOYSA-N 369.812 2.841 0 50 FFAA COc1ccccc1N1CC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2)C1=O 133016575 ZNTNLTAJSFBJRK-QGZVFWFLSA-N 365.433 2.805 0 50 FFAA Cc1c(C(=O)NC[C@H]2Oc3ccccc3[C@H]2C)cnn1C1CCOCC1 365837148 IEEJGRPWTTVRIZ-BFUOFWGJSA-N 355.438 2.838 0 50 FFAA Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)n1 72151132 PKEPXXYBWCYKTL-FQEVSTJZSA-N 367.493 2.758 0 50 FFAA COc1ccc(CCN(Cc2ccccc2F)C[C@@]2(O)CCCNC2)cc1 72438172 GBAAJVBJVRQWRM-JOCHJYFZSA-N 372.484 2.994 0 50 FFAA CCc1nc(C)cn1Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 71479576 UXVNSDOCKMCGEH-UHFFFAOYSA-N 358.398 2.878 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)OC1=O 72162389 XRPXMOAAUBAEIV-LJQANCHMSA-N 360.458 2.904 0 50 FFAA CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cccs1 20608090 GMNFPBIJLJOMPM-UHFFFAOYSA-N 364.290 2.548 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3onc4c3CCCC4)C[C@H]2C(=O)O)c1 426474376 ONAKGPYHBDNMCD-JKSUJKDBSA-N 370.405 2.502 0 50 FFAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2ccn(C(C)(C)C)c2)cn1 222498872 HRIOTJBPFLDISC-MSOLQXFVSA-N 357.454 2.913 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1C 426571477 KKCAWNWEEJZHCZ-QGZVFWFLSA-N 350.422 2.937 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nnc(-c2ccccc2)o1 265544338 FIRVKGSYFSHPBG-XHSDSOJGSA-N 369.421 2.914 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCc3cccs3)[C@@H](C)C2=O)cc1 426606690 DZRVZUPSQJNZSM-AWEZNQCLSA-N 373.478 2.746 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)Nc3ccccc3F)C2)CCC1=O 91289234 YVHGBKXAQCNJLR-IBGZPJMESA-N 363.433 2.709 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC2(CC1)OCCC[C@H]2O 92077870 XDTQTLBIBTZSBD-OAHLLOKOSA-N 357.372 2.780 0 50 FFAA NC(=O)C1CCN([C@H](C(=O)O)c2ccc(Oc3ccccc3)cc2)CC1 95392058 HZANXRJNQDVBLN-SFHVURJKSA-N 354.406 2.802 0 50 FFAA CSCCC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95372254 ABOFZYKHEXBUKH-CYBMUJFWSA-N 350.513 2.847 0 50 FFAA CSCCc1nc(CCn2ccnc2C)n(-c2ccc3c(c2)OCO3)n1 95528946 PZZSPJJAUWPGGL-UHFFFAOYSA-N 371.466 2.649 0 50 FFAA COc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91792867 NPLSXIGLHBMEIY-MAUKXSAKSA-N 371.506 2.817 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1ccc2c(c1)OCCO2 96179530 VWAMUDLYDSEMLY-HNNXBMFYSA-N 358.463 2.914 0 50 FFAA CCCCc1nc(CN2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)c[nH]1 91780700 OCOOITTVOFULSS-FQEVSTJZSA-N 362.518 2.603 0 50 FFAA COc1cccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)c1 91907020 HVVLBUHHQQIYPT-WOJBJXKFSA-N 374.525 2.571 0 50 FFAA Cc1cnccc1N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 244795763 RNBCNIKRZVIGGC-AWEZNQCLSA-N 361.392 2.784 0 50 FFAA Cc1cn2c(=O)cc(CN(C)Cc3cc(-c4ccccn4)no3)nc2s1 244633677 GHOGDAJBLLKQIQ-UHFFFAOYSA-N 367.434 2.746 0 50 FFAA OCCNc1cc([C@H]2C[C@@H](Nc3ccc(C(F)(F)F)cn3)C2)ncn1 244866594 VYTJDMYZXCLJHZ-KLPPZKSPSA-N 353.348 2.653 0 50 FFAA COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1 183850807 LAZPHKAERQIZBX-GFCCVEGCSA-N 353.378 2.606 0 50 FFAA CC(C)c1noc(CCCNC(=O)CCc2nc(O)c3ccccc3n2)n1 252494739 ODFZHXSIBFVYFW-UHFFFAOYSA-N 369.425 2.523 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)c2cccs2)c2ccccc21 299746323 WQUOUMIJEYJKJL-OLZOCXBDSA-N 358.419 2.530 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1)c1ncoc1C1CC1 252536031 HMHCDVVNCFRTSS-BFYDXBDKSA-N 354.406 2.729 0 50 FFAA O=C(NCc1cccc(Cl)c1F)C1CCN(C(=O)[C@H]2CCCO2)CC1 299772594 CXBQWUNRXRHWMK-OAHLLOKOSA-N 368.836 2.513 0 50 FFAA CCCC[C@@H](NC(=O)Cn1cnc2ccsc2c1=O)c1cccnc1 299783653 XHZUNIOWZTWRFO-CQSZACIVSA-N 356.451 2.901 0 50 FFAA COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(C)c1=O 824134548 JMYMNUSNEHLRSX-SNVBAGLBSA-N 355.312 2.512 0 50 FFAA Nc1ncc(CN2CCC(CNC(=O)CCc3ccccc3)CC2)s1 827820951 VOANJBKKLIYNSX-UHFFFAOYSA-N 358.511 2.686 0 50 FFAA Cc1nc(-c2ccc(C(=O)NCCCN3CCCC3)cc2)c(Cl)c(=O)[nH]1 584892176 VACOJGXPZFLHBK-UHFFFAOYSA-N 374.872 2.614 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 268942379 MNMQYBGYNYNJLA-LLVKDONJSA-N 352.228 2.804 0 50 FFAA CC(C)Oc1ccccc1CCNC(=O)N1CCC[C@@]2(CCC(=O)NC2)C1 584900909 SBPRCINWYBVVDL-NRFANRHFSA-N 373.497 2.718 0 50 FFAA COc1ccc2[nH]c(CNC(=O)[C@H]3CCCN(C4CCOCC4)C3)cc2c1 670455457 ZMPHEKIRCTUJJS-HNNXBMFYSA-N 371.481 2.684 0 50 FFAA CC(C)c1ncc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)cn1 1565526656 DWVVEEXBVQIQCR-JXFKEZNVSA-N 353.422 2.663 0 50 FFAA COC(=O)c1ccc2ccccc2c1OC[C@H]1C[N@]1Cc1cnn(C)c1 1875384988 KPAVOJGPWFPOAR-MWTRTKDXSA-N 351.406 2.623 0 50 FFAA COC(=O)[C@@H]1N(C(=O)c2c[nH]c3cc(Cl)ccc23)C[C@]12CC2(F)F 1875308771 VVBKWGYECFZLKV-SWLSCSKDSA-N 354.740 2.844 0 50 FFAA Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@@H](C)c2ccc3ccn(C)c3c2)C1 1875308511 JQIIQYAGSPJIHQ-BUXKBTBVSA-N 365.437 2.591 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)Nc3cccc(CN4CCCC4)c3)nn2)CC1 952970224 TZUJUNAWMFNJBY-MAEOIBBWSA-N 368.485 2.569 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 952981889 KTWXAYIAWLMFQS-UHFFFAOYSA-N 369.469 2.576 0 50 FFAA COc1cnc(C(=O)O[C@H]2C[C@](C(=O)OC)(c3ccccc3)C2)c(F)c1 1343904572 FHTDADNKIHDMIW-DHFPXDALSA-N 359.353 2.660 0 50 FFAA Cc1conc1CNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1347291359 DNIMSVHXVFVOSF-OXJNMPFZSA-N 369.421 2.648 0 50 FFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 186650544 XLBVIDXZSWHLJJ-AWEZNQCLSA-N 372.387 2.645 0 50 FFAA O=C(Cc1ccncc1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 279837071 FGZHLUSEHQGIKQ-CJNGLKHVSA-N 350.340 2.977 0 50 FFAA O=C(CCc1c[nH]cn1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280678625 DLSXCPLVYBVRTP-IUODEOHRSA-N 353.344 2.696 0 50 FFAA CS(=O)(=O)c1ccc(-c2noc(-c3cc(N4CCCC4)ccn3)n2)cc1 193191497 ZADCVRFBCSMLRS-UHFFFAOYSA-N 370.434 2.802 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccoc3)CC2)nc(N2CCCCC2)n1 1529111959 CNTPVTVEJUEHNC-UHFFFAOYSA-N 369.469 2.721 0 50 FFAA c1ccc([C@H]2COC[C@H]3CN(C4CSCCSC4)CCN23)cc1 1529105487 CIMFXRUDQFKEQH-SJLPKXTDSA-N 350.553 2.593 0 50 FFAA O=C(CN1C[C@H](c2ccccc2)CC1=O)Nc1cnn(Cc2ccccc2)c1 1529167882 SCSSRXABRXEGMB-LJQANCHMSA-N 374.444 2.886 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)cc2c1 1529151537 JRQTYPUAXHUWGU-YLJYHZDGSA-N 363.461 2.988 0 50 FFAA CSc1ccc2cc(CNCCn3cncn3)c(=O)n(CC(C)C)c2c1 11784003 RQJSNNRHKIKQCN-UHFFFAOYSA-N 371.510 2.761 0 50 FFAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCC(C)(C)CO)C3 11788386 QGZIANVZXFERQM-CYBMUJFWSA-N 363.527 2.724 0 50 FFAA Cc1nc(C(=O)NC[C@H]2Cc3cccc(-c4ncccn4)c3O2)cs1 11995801 XPAHINGSWCIULQ-CYBMUJFWSA-N 352.419 2.642 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 15068664 WAMOBUAVPPUMTQ-HKUYNNGSSA-N 366.465 2.794 0 50 FFAA O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 16649688 CXCSYIIQRIKERD-UHFFFAOYSA-N 363.414 2.648 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N(C)Cc3ccccc3)C2=O)cc1 19782457 RSARICLQRSHYRN-GOSISDBHSA-N 366.417 2.627 0 50 FFAA CN(C)CCCNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 2461509 DQGRCCVCDBGRIF-CYVLTUHYSA-N 369.440 2.665 0 50 FFAA Cc1nc(CCNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)sc1C 151425292 YTIROMDMWHGQCE-GOSISDBHSA-N 373.522 2.710 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3sc(C(C)C)nc3C)CCN12 1857717890 DFRFNRROFOLXKW-LSDHHAIUSA-N 351.516 2.900 0 50 FFAA CCOc1ccc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1OC 1857725983 CUUIXVJFASCYPQ-SCWSEQNSSA-N 374.481 2.652 0 50 FFAA C[C@@H]1c2nncn2CCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 408338732 IHKGXNAQZPASLP-SWHYSGLUSA-N 361.243 2.748 0 50 FFAA CC(C)CN(C(=O)c1cnc(-c2cnn(C)c2)s1)C1CCN(C)CC1 112206620 DSNLSRRNGQPOBD-UHFFFAOYSA-N 361.515 2.736 0 50 FFAA O=C(O)CC1(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)CCCCC1 238091654 XQUFSWMAJBEIJX-AWEZNQCLSA-N 363.433 2.731 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)NCc2ccccc2OCc2ccccc2)C1 311360492 GTBNODCGVPKKCZ-KRWDZBQOSA-N 354.406 2.882 0 50 FFAA COC(=O)c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 835013 CADVZYIHYGAPJD-HNNXBMFYSA-N 356.403 2.915 0 50 FFAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1occc1CN 2325774628 FCDVVYYJDVKXRH-AWEZNQCLSA-N 350.422 2.637 0 50 FFAA Cc1c(C(=O)Nc2cccc(CN3CCSCC3)c2)cnc2ccnn12 2325789665 DYMGADZEMJEAIF-UHFFFAOYSA-N 367.478 2.839 0 50 FFAA CC[C@H](CC(=O)NC1CC(N(C)C(=O)CCc2cncnc2)C1)C(C)(C)C 2325794823 SLGNSACEHYBMBA-WWDZGPRUSA-N 374.529 2.977 0 50 FFAA O=C(NC[C@@H](C(=O)O)c1ccc(Cl)cc1)c1cn2cccc(F)c2n1 2325865476 DODUSBMQTRSVEW-GFCCVEGCSA-N 361.760 2.725 0 50 FFAA CO[C@H](C)c1nc(-c2cnc3[nH]cncc2-3)n([C@H](C)C2CCOCC2)n1 2325880097 UUVOECVEWYGJFQ-VXGBXAGGSA-N 356.430 2.863 0 50 FFAA CC(=O)N1CCC(CNC(=O)c2cnc(Cc3ccccc3)s2)CC1 133345862 ZEJRJHHIDAOOLC-UHFFFAOYSA-N 357.479 2.722 0 50 FFAA COC(=O)c1cc(NC(=O)COc2ccc(C)cc2)cc(C(=O)OC)c1 972704 DTVNFKSKUBAINC-UHFFFAOYSA-N 357.362 2.586 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 1072725 XLKOVHIIMVBZTQ-ZDUSSCGKSA-N 350.415 2.748 0 50 FFAA Cc1cc(C)c(CSc2nnnn2-c2ccc(C(N)=O)cc2)c(C)c1 1159067 PGHXSUVCEQGOSH-UHFFFAOYSA-N 353.451 2.979 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ccc(F)c(C(F)(F)F)c1 2356156517 FTLOGCSSOCYVHI-QGZVFWFLSA-N 374.378 2.794 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@H](Oc4cccnc4)C3)cccc2c1 132674324 LKQIPGSRBTZYAW-KRWDZBQOSA-N 369.446 2.780 0 50 FFAA Cc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)o1 4839218 ZEDLOACTKSONRU-ZDUSSCGKSA-N 351.399 2.557 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 6697962 OYZRGASVJZKTGX-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1ccccc1C(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 8605580 KEENNZDCXVEVAJ-UHFFFAOYSA-N 359.407 2.640 0 50 FFAA CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)[C@H](c2ccccc2)C1 248754682 ISXMMOQTTRQRPH-VMXMFDLUSA-N 355.526 2.918 0 50 FFAA Cc1ccc2nc3c(n2c1)[C@H](c1cccc(-n2cccn2)c1)CC(=O)NC3 65526670 NLNNKJWWNJEFQE-KRWDZBQOSA-N 357.417 2.980 0 50 FFAA CCN(C)C(=O)c1cn2cc(-c3cc(C)oc3C)n(CC3CC3)c(=O)c2n1 72435380 QBUAPYSQBVDBSV-UHFFFAOYSA-N 368.437 2.875 0 50 FFAA CN1CC[C@H](CNCc2ccc(Br)c3cccnc23)CC1=O 424192704 UGZVPPOWSMZTGY-LBPRGKRZSA-N 362.271 2.955 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1 72161177 VJTSSSOBXCVRCB-QGZVFWFLSA-N 373.453 2.872 0 50 FFAA Cc1cc(=NC(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc[nH]1 328618745 DZZITGNWADDSAB-LBPRGKRZSA-N 367.375 2.754 0 50 FFAA Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(N(C)C)n1 152602504 KXNAMMABBSJHIZ-GJZGRUSLSA-N 369.469 2.717 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)nn2c1 215740974 ZNJVBJRGOSOEGI-HNNXBMFYSA-N 369.856 2.695 0 50 FFAA COc1ccccc1CC1(O)CCN(C[C@H](O)c2ccc(F)cc2)CC1 366590024 HJLXJFIVLFMQHZ-IBGZPJMESA-N 359.441 2.937 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N3CCCN(CC4CC4)[C@H](C(C)C)C3)c2n1 71748900 TYPLWLYJOVLWPN-IBGZPJMESA-N 369.513 2.929 0 50 FFAA CCc1nc(C)sc1CNC(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 218897180 WBNYROBHXKSSSP-QGZVFWFLSA-N 361.467 2.662 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCC[C@H]1c1ccccn1 77393612 ORAPVWUEZUWQMJ-SFHVURJKSA-N 358.463 2.999 0 50 FFAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CC(C)(C)C)C2 72120964 RLYQDRFYCIQTRZ-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1nnc2n1CCCCC2 376546568 QAXSSKPHBORIJV-AWEZNQCLSA-N 355.490 2.830 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)[C@@]1(c2ccccc2F)CC1(C)C 216476557 PILGCFYJRBYUBO-FQEVSTJZSA-N 359.445 2.902 0 50 FFAA Cc1nn2c(CN3CC[C@H](OCc4c(C)noc4C)C3)c(C)nc2s1 377671215 GINSZCARGSYOLH-AWEZNQCLSA-N 361.471 2.804 0 50 FFAA COc1ccc(OC)c(-c2nccn2-c2ccc(-c3nnn(C)n3)cc2)c1 77380394 PRTXPPNMDJMGSC-UHFFFAOYSA-N 362.393 2.747 0 50 FFAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1 333201635 XYDHURUVLVECON-BPQIPLTHSA-N 370.497 2.774 0 50 FFAA Cc1cccc2cc(CN(CCN(C)C)C(=O)C3CC3)c(N(C)C)nc12 15069502 FZQWZPRHWIVAPJ-UHFFFAOYSA-N 354.498 2.909 0 50 FFAA CN1CCC(C)(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 378560637 NLVGTICGPTUJNW-SFHVURJKSA-N 357.498 2.529 0 50 FFAA CCCOCc1ccccc1CNC(=O)CN1CCC([C@@H]2CCOC2)CC1 378652154 RWEUPNXTDQGNKA-OAQYLSRUSA-N 374.525 2.978 0 50 FFAA Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237657346 VYQDQUZISVCPQF-INIZCTEOSA-N 366.373 2.824 0 50 FFAA Cc1nn(CCNC(=O)C2(c3ccccc3)CCN(C)CC2)c(C)c1C 222758516 MDAYOULPESZQRL-UHFFFAOYSA-N 354.498 2.588 0 50 FFAA O=C(NCC(=O)N1CCC(c2cc[nH]n2)CC1)Nc1cccc(Cl)c1 449947111 CHJCVRVZJGHIBF-UHFFFAOYSA-N 361.833 2.591 0 50 FFAA CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(CC)cc2)c1 240569412 HALSVQFMUXBDHP-UHFFFAOYSA-N 364.442 2.616 0 50 FFAA CN(C)c1ccc(CC(=O)N2CCC(CCN3CCCC3=O)CC2)cc1 82161848 KYCHQVGWFVDEJD-UHFFFAOYSA-N 357.498 2.546 0 50 FFAA O=C(CO)Nc1cccc(N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 174071986 KWSDHPTZUUTECC-INIZCTEOSA-N 373.840 2.878 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCc1n[nH]c2c1CCCCC2 426484453 MCJAHPMRHNCEPK-LJQANCHMSA-N 372.469 2.649 0 50 FFAA CSc1nc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cs1 223384411 ORWXNKLGNOASFT-OCCSQVGLSA-N 368.455 2.970 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)NCc1cc(-c2cccnc2)no1 426693736 NPIOZWNPYGYGGX-UHFFFAOYSA-N 367.409 2.945 0 50 FFAA CNc1ncc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1 95356982 WPERZRHYDPUUBW-UHFFFAOYSA-N 366.252 2.788 0 50 FFAA O=C(C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1)c1ccco1 91726029 RXYJQEGSECXYNA-HXUWFJFHSA-N 358.438 2.636 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 91757409 CHMGISKDNZWSLE-HNNXBMFYSA-N 362.470 2.570 0 50 FFAA CC(=O)N1CCCN(Cc2nc3ccccc3c(=O)n2C)c2ccccc21 177817090 STHYMMXHUIFVMV-UHFFFAOYSA-N 362.433 2.697 0 50 FFAA CC(C)n1cnnc1[C@@H](C)NC(=O)Nc1cc(Cl)ccc1-n1cncn1 96139484 XZAMUGGTZCUITG-LLVKDONJSA-N 374.836 2.976 0 50 FFAA COc1ccc(F)c([C@@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c1 95379973 IWJOPBCIHJMKTM-IBGZPJMESA-N 373.428 2.563 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)Nc3ccc(-n4cncn4)cc3)CC2)n1 95502284 AZJXYAKNLYDBRO-UHFFFAOYSA-N 365.441 2.683 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91440361 ZDLZYICLIOKCKU-NRFANRHFSA-N 372.465 2.630 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCN3CCCC[C@H]3CO)o2)cc1 96149394 AXDVRXJRWRFYHT-INIZCTEOSA-N 358.438 2.532 0 50 FFAA Clc1ccc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)cn1 97815568 JWDXDYAJFGLBHK-UHFFFAOYSA-N 366.856 2.909 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCC(Cc3nc(C)no3)CC2)N(C)C)c1 95375480 QVADHMOYOQSHKX-LJQANCHMSA-N 356.470 2.770 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)N1CCC(N2CCOC2=O)CC1 91585953 NXJWGXQDKPXJHE-UHFFFAOYSA-N 373.236 2.815 0 50 FFAA C[C@@H](NC(=O)CCc1nc2ccc(F)cc2[nH]1)[C@@H](O)c1ccc(O)cc1 97528924 ZBWNVRRQSKEMAO-NSPYISDASA-N 357.385 2.579 0 50 FFAA Cc1nc(N2CCC(OCc3ccccn3)CC2)cc([C@H]2C[C@H](N)C2)n1 252536131 HQFBBPVHDCEYBX-WKILWMFISA-N 353.470 2.570 0 50 FFAA COc1cncc([C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]2C[C@@H](O)C2)c1 252536488 IRSFDHZDPZZQDQ-ACWOFJMJSA-N 360.841 2.915 0 50 FFAA CSCC[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cccc1 263588670 WWYILDDCFVQIND-OAHLLOKOSA-N 367.515 2.862 0 50 FFAA Cc1cnn(CCCNC(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)c1 534592652 MTRTYMRSXUQFPC-UHFFFAOYSA-N 358.471 2.875 0 50 FFAA CCn1ncc(NC(=O)Cn2ccc(-c3ccccc3C(F)(F)F)n2)n1 48351497 YBGHKOUSJKPRSF-UHFFFAOYSA-N 364.331 2.819 0 50 FFAA NC(=O)CCn1cc(CNCc2[nH]nc3c2CCCCC3)c2ccccc21 55036226 NIOAZPBRTVKTLH-UHFFFAOYSA-N 365.481 2.799 0 50 FFAA O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN([C@H]2CCNC2)CC1 299783759 YDWZKCFFDNXDMF-SFHVURJKSA-N 366.465 2.990 0 50 FFAA CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCNCC2 299786779 XKZPDILDVOZPQE-MOPGFXCFSA-N 356.491 2.798 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2ncon2)CC1 299763055 OMOBQXSEAOTGLW-UHFFFAOYSA-N 365.437 2.821 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCC3CCN(C)CC3)c(O)n2)cc1 824689228 DKXNGTQUULQKOL-UHFFFAOYSA-N 369.465 2.925 0 50 FFAA CN(Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCc3[nH]ncc3C2)CC1 270158264 FHPWSTSEWFPHGS-LJQANCHMSA-N 366.509 2.885 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@@H](c2cncn2C)C1 275639477 SUHWUFXGBGBQSW-SIXWZSSISA-N 357.454 2.980 0 50 FFAA Cc1ncsc1-c1nc2ccccc2n1CC(=O)NOC1CCOCC1 773920980 LOEXLFHFYGNTQI-UHFFFAOYSA-N 372.450 2.695 0 50 FFAA Cc1nc(N2CCC[C@@H](CC(N)=O)CC2)c2cnn(-c3ccccc3)c2n1 794002824 GOTPCTDZAXDAOE-OAHLLOKOSA-N 364.453 2.606 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)Cn3ccc4ccccc43)CC[C@@H]21 216884135 WCXUMTHRMZRNOG-MJGOQNOKSA-N 353.466 2.891 0 50 FFAA Cc1ccc(C(=O)N2CCCN([C@@H](C)C(=O)Nc3ccccn3)CC2)cc1 1772704669 KJMREKXCZVBLMD-KRWDZBQOSA-N 366.465 2.565 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772807583 ZEXCPIQUCKBBHI-RBSFLKMASA-N 357.479 2.730 0 50 FFAA Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)CN(C)C(=O)CO2 1772805929 VZEYZJLNXAEQDM-UHFFFAOYSA-N 351.834 2.504 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 11662482 QLPIEWMHRXUXER-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1 11817260 JVUMYOXLXFUNLZ-OAQYLSRUSA-N 374.456 2.976 0 50 FFAA O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 12001929 LEVSJKDRXHOFJJ-UHFFFAOYSA-N 364.854 2.945 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(Cc3ccccc3F)CC2)C1 12573341 AGZLTFUQCUAEGN-KRWDZBQOSA-N 359.489 2.781 0 50 FFAA O=C(CCn1cncn1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 12718136 PAKVWYCUFXLQPQ-OAQYLSRUSA-N 373.545 2.953 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3cccc(F)c3)C2=O)cc1 19533496 MNSBLJMLIGRDSJ-GOSISDBHSA-N 356.397 2.689 0 50 FFAA Cc1ccccc1OCC(=O)NC1CCN(Cc2c(C)noc2C)CC1 169751739 OHCGSJSIDZWICX-UHFFFAOYSA-N 357.454 2.759 0 50 FFAA COc1cccc2c1ccn2CCC(=O)N[C@H](Cc1ccccc1)C(=O)O 206411966 JNEMPMCHSLVUBQ-QGZVFWFLSA-N 366.417 2.852 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3n[nH]c4ccc(OC)cc34)CC2)O1 1857668676 XHIDSLHMSFNJFO-CABCVRRESA-N 359.470 2.856 0 50 FFAA CC(=O)c1ccc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)nc1 1857684147 AQNDNRULQFUUEN-HXUWFJFHSA-N 351.406 2.538 0 50 FFAA CSc1cccc(NC(=O)N2CCC3(CC2)CC(=O)N(C)CCO3)c1 1857693017 DVZOGYCMGVSJJA-UHFFFAOYSA-N 363.483 2.654 0 50 FFAA C[C@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)N1CCCCC1 1857701089 MDLZBYPBEUPEJZ-QGZVFWFLSA-N 366.509 2.889 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@]23CC[C@H]1O3)c1ccoc1 1857737089 WTUKGRZPVXQAIF-QEUVDIPISA-N 370.424 2.828 0 50 FFAA COc1cc(OC)c(CN2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)cc1Cl 247945367 OPVBDRVQSADXJA-HIFRSBDPSA-N 352.862 2.800 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1nnc2n1CCCC2 135302236 LOAYVUNUOPRPAQ-ZDUSSCGKSA-N 365.437 2.998 0 50 FFAA c1cc2c(cc1O[C@@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 253597111 ZZMNWJVJUKMZJY-FEBSWUBLSA-N 370.357 2.883 0 50 FFAA endogenous,in-man Cc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1 262338916 SWSXPEGRRWUZDX-GFCCVEGCSA-N 367.199 3.000 0 50 FFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CC[C@H]2[C@@H](C1)C2(F)F 1851103275 DPTVPMNIDQCZPQ-UONOGXRCSA-N 359.376 2.808 0 50 FFAA CCOC(=O)[C@H](C[C@@H]1CCOC1)NCC(=O)Nc1ccccc1C(C)C 1875281807 XYTWYBRLSDKDSY-YJBOKZPZSA-N 362.470 2.696 0 50 FFAA C=CC(=O)NCC(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1 1875371609 GYANREACGZWBSP-UHFFFAOYSA-N 352.221 2.662 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)C2CCC2)C1)c1cc2ccc(F)cc2nc1O 1875325892 WVDVKPJBYGJKGU-OAHLLOKOSA-N 371.412 2.600 0 50 FFAA CC(=O)c1c(N2CCC(C(N)=O)CC2)nc(=S)n(-c2ccccc2)c1C 1444293 RSHQEABHOMJVQM-UHFFFAOYSA-N 370.478 2.815 0 50 FFAA C[C@H]1C[C@H]1c1nnc2ccc(=NCCCc3ccnc(C(C)(C)C)n3)[nH]n12 2325750605 JSFRIKKZXZTQPT-DZGCQCFKSA-N 365.485 2.802 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CC1)OC(=O)NC21CCC1 2325781371 KSDLTLQRUXGRPO-UHFFFAOYSA-N 358.442 2.546 0 50 FFAA CC(C)(CCS(=O)(=O)N1CCC[C@@]2(C)CCCC[C@@H]12)S(C)(=O)=O 2325782969 PYZITPPLOCVGEZ-GDBMZVCRSA-N 365.561 2.574 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 828324 LCVXNSXXSSOSGS-OAHLLOKOSA-N 352.390 2.855 0 50 FFAA Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2C)n1 4736157 IVHHKMJMEPHVLG-JTQLQIEISA-N 360.468 2.761 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 6703743 HLLOVXUULOXQRR-INIZCTEOSA-N 368.433 2.873 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1CCO 104317297 PMPNSZNOPWXXMC-HXUWFJFHSA-N 356.514 2.787 0 50 FFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)C1(c2ccc(OC)cc2)CC1 55414583 OBPBIWOVDSAEHS-SFHVURJKSA-N 354.450 2.922 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N(Cc1nccn1C)C1CC1 55197331 DVKHJCXEBRFZFZ-UHFFFAOYSA-N 360.845 2.902 0 50 FFAA Cc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(S(N)(=O)=O)c1C 55393126 SJOWFBPDMBUHRB-DNVCBOLYSA-N 364.511 2.992 0 50 FFAA COc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c(OC)c1 108073487 CIJDFOAIXJEUCY-UHFFFAOYSA-N 352.394 2.979 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 100997260 BTZIDJQRUXBZIL-CPLUKWAASA-N 361.397 2.942 0 50 FFAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(Cl)c1 101480145 PTUSOTDVWOSOGG-ZIBATOQPSA-N 374.865 2.550 0 50 FFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 20913109 AEHCREPFHQUBLJ-SFHVURJKSA-N 370.522 2.734 0 50 FFAA COc1cc(Cl)c(CN2CCC(N3CCC[C@@H](O)C3)CC2)cc1OC 65423156 ONIRHLQZURVOSZ-MRXNPFEDSA-N 368.905 2.778 0 50 FFAA CCCc1ncn(Cc2nc(-c3cc(OC)c4c(c3)OCO4)oc2C)n1 67886378 RHKRDZURNNAXPV-UHFFFAOYSA-N 356.382 2.980 0 50 FFAA C[C@@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 1388597 HWRDHSZEAKDATE-MRXNPFEDSA-N 353.827 2.503 0 50 FFAA Cc1ccc(C)c(OCn2ccc(C(=O)N(C)Cc3ccnn3C)n2)c1 2806414 WONXFNGWUPPMGL-UHFFFAOYSA-N 353.426 2.542 0 50 FFAA CN(C)CCNC(=O)CCC1CCN(Cc2nc3ccccc3s2)CC1 12593611 KTZDFFOACLOICC-UHFFFAOYSA-N 374.554 2.966 0 50 FFAA Cc1cc(=O)n(CC(=O)N2CCC3(CCOCC3)CC2)c2ccccc12 71760169 UCFGHZZFGHLXPY-UHFFFAOYSA-N 354.450 2.729 0 50 FFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3ccnc(N(C)C)n3)C2)cc1 426240417 RAUAFMREOONRNY-DOTOQJQBSA-N 353.470 2.939 0 50 FFAA Cc1cc(C)c(C(=O)NCc2cccnc2-n2cnc3ccccc32)c(=O)[nH]1 12460085 KECIZXKNNVVDGN-UHFFFAOYSA-N 373.416 2.656 0 50 FFAA COCCc1nc2ccc(C(=O)NCCc3cn4ccsc4n3)cc2o1 12432702 FJVGXSBQBYXYKG-UHFFFAOYSA-N 370.434 2.698 0 50 FFAA CC(C)[C@H]1CN(C(=O)Cn2cccn2)CCCN1Cc1ccc(F)cc1 71762545 BCFWGDUHQNIXAI-LJQANCHMSA-N 358.461 2.781 0 50 FFAA O=S(=O)(c1cccs1)N1CCC[C@](CO)(Cc2ccccc2)C1 76973247 FHGPQFXSESBQNL-KRWDZBQOSA-N 351.493 2.754 0 50 FFAA CCc1cnc(C)nc1N1CCC[C@]2(CCC(=O)N(CCCOC)C2)C1 72474262 WERASYLJTDWWPK-HXUWFJFHSA-N 360.502 2.593 0 50 FFAA O=C(NCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)c1cccc(F)c1 125942207 IVTKLODRTXLXQG-RBUKOAKNSA-N 370.424 2.670 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)c1 72412497 VUSVPATYLYDJMI-NRFANRHFSA-N 366.465 2.763 0 50 FFAA Cn1ncnc1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 126963445 PQRZNHGUUGNHKL-UHFFFAOYSA-N 350.444 2.575 0 50 FFAA C[C@@H]1CC(CCN2CCN(CCN3CCCOCC3)CC2)C[C@@H](C)C1 375336157 HMLYVFLRABKALM-PMACEKPBSA-N 351.579 2.789 0 50 FFAA COC(=O)c1ccc(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)cc1 77385373 AEHSBRCUNBPZPG-LJQANCHMSA-N 352.434 2.602 0 50 FFAA OCCN1CCC[C@H](CNc2cc(-c3ccccc3)nc3ccnn23)C1 72172767 YDPGVKCQGFSXHD-MRXNPFEDSA-N 351.454 2.513 0 50 FFAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2 219929457 XYENJSUDLRFONB-OAHLLOKOSA-N 354.907 2.599 0 50 FFAA CCC[C@H](NC(=O)c1ccc(C)n1C)C(=O)N1CCc2sccc2C1 171426191 OCAWOMZVNDGNDM-HNNXBMFYSA-N 359.495 2.878 0 50 FFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1cccc([C@H]2CCOC2)c1 262849202 HPSQVMQTYBLKLU-FUHWJXTLSA-N 357.381 2.928 0 50 FFAA Cc1ccc([C@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 236886851 XWGISQIWJCPWLB-LJQANCHMSA-N 372.513 2.512 0 50 FFAA Cc1nc(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)cs1 72439168 OUOJWQUREVIUAN-UHFFFAOYSA-N 358.492 2.953 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 220514799 XOOAEJJHODGCRW-RTBURBONSA-N 355.438 2.742 0 50 FFAA CCc1c(C(=O)NC2CCC(O)CC2)nnn1-c1ccc(OC(C)C)cc1 130646535 IURYIJVYENYZJY-UHFFFAOYSA-N 372.469 2.650 0 50 FFAA C[C@@H](Oc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)NC2)C(F)(F)F 241588129 OZXAXJWJBARXNT-SECBINFHSA-N 365.311 2.907 0 50 FFAA CC[C@H](C)c1ccc(N[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 241587891 OXYNVSAZCCQHIJ-ZQIUZPCESA-N 352.500 2.646 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](Cn2ccnn2)C1 131513883 WPOCDSZGKZVBGY-IAGOWNOFSA-N 361.490 2.582 0 50 FFAA CC(C)c1nnc([C@H](C)NC(=O)COCc2nc3cc(F)ccc3[nH]2)o1 220481266 FZRBHOSMCZYNKF-JTQLQIEISA-N 361.377 2.602 0 50 FFAA Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 286412464 FJGGMCGXJKWMIX-ZDUSSCGKSA-N 359.401 2.835 0 50 FFAA CN1CCN(C(=O)c2cc(F)ccc2OCCCN)C[C@@H]1c1ccccc1 426602336 DGLSYWHEUGILQX-LJQANCHMSA-N 371.456 2.682 0 50 FFAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1csc(Cc2ccccc2)n1 82120580 IXTLEEKGGIZNOL-AWEZNQCLSA-N 370.434 2.898 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N3CCC[C@@H]3Cn3cccn3)cc2c1 426615419 IZLYWBRCDMCTOX-MRXNPFEDSA-N 353.426 2.747 0 50 FFAA Cc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)nc1-c1ccccc1 222484841 CDQHBOGABLAQTQ-SYQHCUMBSA-N 356.403 2.711 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@H](Cn1cccn1)c1ccccc1 426504453 GWTSYNNNANWIKK-GOSISDBHSA-N 366.469 2.980 0 50 FFAA CC[C@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1nc(C)c(C)s1 92001663 BPEZBHQOZITNFD-AWEZNQCLSA-N 372.450 2.697 0 50 FFAA O=C(NC[C@@H](CO)Cc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1 97528066 IDPSQCPRKSUWNU-LBPRGKRZSA-N 359.426 2.858 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2nccs2)CC1 91859871 ZZTVLFCSBGHCLF-UHFFFAOYSA-N 366.450 2.639 0 50 FFAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239046278 FMOBYPQXHDYUMX-KHZNSDFCSA-N 364.445 2.629 0 50 FFAA CCN(CC)C[C@H](O)COc1cc(CN2CCC(F)CC2)ccc1OC 95520255 ZQUJJRNHQGYWQP-SFHVURJKSA-N 368.493 2.711 0 50 FFAA CCc1cccc(OC[C@H](O)CNCCc2ccc(OC)c(OC)c2)c1 96027663 QFUVOAQKGBOBCV-GOSISDBHSA-N 359.466 2.838 0 50 FFAA O=C(NCc1noc(Cc2ccccc2)n1)[C@@H]1CCCN(C2CCCC2)C1 95359520 DSEHTCPAUCNDBJ-QGZVFWFLSA-N 368.481 2.931 0 50 FFAA O=C(O)c1cc2c(nc1N1CCC(OCc3cccnc3)CC1)CCC2 96179733 ZFSXSDHBMGLKOQ-UHFFFAOYSA-N 353.422 2.849 0 50 FFAA CN1Cc2ccccc2C[C@H]1CNC(=O)Cn1ccnc1-c1ccccc1 91746202 PZXQGQSPRWGPEB-FQEVSTJZSA-N 360.461 2.723 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(-c2ncnn2CCc2ccccc2)n(C)n1 91575376 CAMPDSJGABYYDX-UHFFFAOYSA-N 361.453 2.939 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 97553234 QMXAMFBIGYJKHR-ZDUSSCGKSA-N 356.430 2.525 0 50 FFAA COc1cccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c1OC 91595717 RSRYNQJZAAVHQI-DLBZAZTESA-N 369.417 2.573 0 50 FFAA Cc1ccc2[nH]c(CN3CCC[C@@]4(CC3)CN(C)C(=O)O4)cc(=O)c2c1 91593123 GJGPYTQNDNIPAW-HXUWFJFHSA-N 355.438 2.643 0 50 FFAA COCCc1noc([C@H]2CCCCN2Cc2nc(-c3ccco3)no2)n1 244795835 ROLBFRDCVRWYHF-GFCCVEGCSA-N 359.386 2.629 0 50 FFAA O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CS(=O)(=O)c2ccccc21 180882321 NXWDAVYKNUYRCW-QGZVFWFLSA-N 354.431 2.745 0 50 FFAA COc1ccc(C2(C(=O)N3CC(n4cccn4)C3)CCCC2)cc1OC 299790400 CDYDBPJFAVRARP-UHFFFAOYSA-N 355.438 2.796 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc(N4CCCC4=O)cc3)[C@H]2C1 299774219 AFEBOOPFPOBUTK-SVFBPWRDSA-N 358.482 2.972 0 50 FFAA Cc1cc(I)cc(C(=O)O)c1NC(=O)C(F)(F)F 72190690 PCKCXZFFQJBJOT-UHFFFAOYSA-N 373.068 2.799 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)CC[C@@H](C)N3CCOCC3)no2)cc1 299788954 ZCPBSRJQDOIYIC-MRXNPFEDSA-N 357.454 2.767 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1 299771483 YUWZMMZGLGCTGK-HNNXBMFYSA-N 371.510 2.505 0 50 FFAA Fc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c(F)c1F 299778138 FXVRXRPPFRYAME-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CN(C)c2ccccc2O1 299790064 BOEGQZMZRBDOCZ-LJQANCHMSA-N 354.454 2.534 0 50 FFAA O=C(CCc1cccc(F)c1)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 828003710 VZSFEZNZSDNNMU-BANKROOTSA-N 369.444 2.609 0 50 FFAA COc1ccc(C)cc1C(=O)NCc1nncn1CCc1ccccc1 584902891 ACRPPGXUWABEML-UHFFFAOYSA-N 350.422 2.768 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCC1CCN(CC2CC2)CC1 584903100 JVCJUGWTQPVPBW-UHFFFAOYSA-N 373.545 2.942 0 50 FFAA Cc1ccc(-c2ccnc(-c3cccc(C(=O)N4CC[C@H](N)C4)c3)n2)c(C)n1 584887335 GOXRSKDMUDGIMZ-SFHVURJKSA-N 373.460 2.996 0 50 FFAA Cc1ccccc1OC1CN(C2CCN(C(=O)c3cccnc3)CC2)C1 952974481 LWYMGIHJDNESSZ-UHFFFAOYSA-N 351.450 2.758 0 50 FFAA CCc1nsc(N2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)n1 270554973 IBQVKZNCCFDKGE-MRXNPFEDSA-N 372.494 2.567 0 50 FFAA O=C(Nc1ccc(F)cn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 276025987 QSGDGICRGWFKHN-OAHLLOKOSA-N 371.416 2.901 0 50 FFAA CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 276375174 XTTHZVOQQMHDDX-GFCCVEGCSA-N 362.396 2.864 0 50 FFAA Cc1cc(C)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)n1 276368797 WYHJDXQAMGRAOI-DNVCBOLYSA-N 357.458 2.587 0 50 FFAA COc1ccc2cc(NC(=O)N3CCN(CC(C)(C)O)C[C@H]3C)ccc2n1 190171292 AIXFNTYTLPLEGH-CQSZACIVSA-N 372.469 2.552 0 50 FFAA C[C@H]1CCN(C(=O)c2ccn(CC(F)F)n2)CCN1Cc1ccccc1 194233323 JZVUTHLSFHNYRT-HNNXBMFYSA-N 362.424 2.885 0 50 FFAA Cc1noc(-c2ccc(S(=O)(=O)N3Cc4ccccc4[C@H](O)C3)o2)c1C 1506411849 LICZJVOHLITDMB-OAHLLOKOSA-N 374.418 2.789 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)c1ncccc1C(=O)N1CCCC1 1529146308 MJNOJIFOVHBXPC-UHFFFAOYSA-N 353.470 2.946 0 50 FFAA O=C(NC[C@H]1CCCO1)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 825072 CGUJCNLDNPVOBB-PCJMVEANSA-N 374.824 2.999 0 50 FFAA COc1cc(-c2onc(N3CC[C@H](C(C)(C)O)C3)c2C(=O)O)ccc1F 1704306051 UTPMHBFUAUNLBW-NSHDSACASA-N 364.373 2.785 0 50 FFAA COc1cncc(CNC(=O)OC(C)(C)C)c1I 35270441 ZIIORNOJVCUHCR-UHFFFAOYSA-N 364.183 2.720 0 50 FFAA in-vitro CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 1848444002 BLOQVCGQDNNYAB-IEBWSBKVSA-N 371.389 2.664 0 50 FFAA CN1CC[C@](C)(C(=O)N2CCCN(C/C=C/c3ccc(F)cc3)CC2)C1 1775979226 YWAFMHMPLKBSIG-GUWAZMKPSA-N 359.489 2.715 0 50 FFAA Cn1ccc(C2CCN(Cc3noc(-c4ccccc4)n3)CC2)cc1=O 1772819099 DSEBXZMHYPQXCD-UHFFFAOYSA-N 350.422 2.815 0 50 FFAA CC(=O)c1cc(CN2CCC(CCC(=O)N3CCOCC3)CC2)cs1 12051724 CDUYIWLXRUWEHF-UHFFFAOYSA-N 364.511 2.802 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N(Cc1ccncc1)C[C@H]1CCCO1 12432967 UDHSONWLHFKPCK-GOSISDBHSA-N 369.469 3.000 0 50 FFAA Cc1cccnc1CN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 12434567 PXPTVCILOIFPPK-UHFFFAOYSA-N 355.829 2.955 0 50 FFAA COc1cccc(NC(=O)[C@H](C(C)C)n2c(=O)[nH]c3ccccc3c2=O)c1 13554463 HGHQOEUVKUMVFT-KRWDZBQOSA-N 367.405 2.534 0 50 FFAA CCc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 19770939 ZMOIOTBGXATBTB-OAQYLSRUSA-N 354.494 2.807 0 50 FFAA Cc1c(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cnn1C 19792636 USDOAXDTMLDKQQ-LJQANCHMSA-N 371.504 2.654 0 50 FFAA COc1ccc(CN2CCC(C3CCNCC3)CC2)cc1Cn1cncn1 1857681973 KWJSNUTWNZSJCR-UHFFFAOYSA-N 369.513 2.547 0 50 FFAA CCCOc1ccccc1-c1nccn1[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857717221 YUJORAPNBVXSKH-BZSNNMDCSA-N 371.481 2.736 0 50 FFAA CNC(=O)Cc1nc(-c2cnc(C)cc2C)n(-c2ccc3c(c2)CCC3)n1 1857719511 OHDLTEHIPCEKKQ-UHFFFAOYSA-N 361.449 2.723 0 50 FFAA CCc1ccsc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328644382 ZFVTYKNARLGNJB-MRXNPFEDSA-N 372.494 2.914 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc([C@@H]3C[C@@H]3C)o2)CC(=O)N1C 328637975 WEQPHRHWXVVQIE-LSHRYYIKSA-N 356.470 2.815 0 50 FFAA Cc1ccn(C(=O)CS(=O)(=O)CC(C)C)c(=NC2CCCCC2)c1 255906098 BLEJZRGLPWTKNO-UHFFFAOYSA-N 352.500 2.741 0 50 FFAA C[C@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 263178035 GYHNTFUXXOKUTB-HOCLYGCPSA-N 373.453 2.741 0 50 FFAA Cc1ncc(CN2CCN(c3ncc(C(=O)O)cc3Cl)CC2)s1 900987429 DKESEIIKYBRELX-UHFFFAOYSA-N 352.847 2.520 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 908261658 LPDUYRIDUCMMOC-UHFFFAOYSA-N 359.401 2.707 0 50 FFAA COc1ccc2oc(C(=O)N[C@@H](C)CN(C)CCCN(C)C)c(C)c2c1 855345688 GIBLGRVZRSUOKV-AWEZNQCLSA-N 361.486 2.752 0 50 FFAA COc1ccc2[nH]c(=O)c(C(=O)Nc3ccc4c(c3F)CCNC4)cc2c1 952962841 CUPXLKJRCGOPGI-UHFFFAOYSA-N 367.380 2.574 0 50 FFAA CC(C)c1cccc(-c2ccc(C(=O)N3C[C@@H]4C[C@H](C3)[C@H](O)[C@@H]4O)o2)c1 1875318663 KUSIWICMQTZVCJ-OBMJPTGESA-N 355.434 2.884 0 50 FFAA CCOc1ccccc1[C@H](C)NS(=O)(=O)c1ncccc1OCC 1875328047 VZSYXULAQZNXOO-ZDUSSCGKSA-N 350.440 2.919 0 50 FFAA O=C(c1cc(Oc2ccccc2Cl)ccn1)N(C1CC1)[C@@H]1COC[C@H]1O 1875396971 ZGPPYEOJMSPAMW-IAGOWNOFSA-N 374.824 2.892 0 50 FFAA CC(C)c1ccccc1OC[C@@H](O)CNC(=O)NCC[C@@H]1CCO[C@@H]1C 1875309682 IJMXPAZVCOZJJC-ZACQAIPSSA-N 364.486 2.664 0 50 FFAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@@H](O)C12CC2 1875302115 AILFWURGPOLGAB-CQSZACIVSA-N 362.227 2.579 0 50 FFAA Cc1cccc(C[C@]2(C)CCCN2CC(=O)N2CCC3(CC2)OCCO3)c1 879388610 RXIXUWUNZONVKK-NRFANRHFSA-N 372.509 2.758 0 50 FFAA CC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 840779 JHVGCXNGVRVFIY-UHFFFAOYSA-N 374.462 2.911 0 50 FFAA O=C(C1=CNC2=NCCCC2=C1)N1CCC(Cc2ccccc2CO)CC1 2325806428 SUJFPICEOXPDCY-UHFFFAOYSA-N 365.477 2.566 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](F)c3ccccc3)C2)n[nH]1 2325842596 BQNROLHKFMUTPY-YOEHRIQHSA-N 358.417 2.575 0 50 FFAA N[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 876552636 XTLIMXVPMBMBML-CZUORRHYSA-N 366.339 2.661 0 50 FFAA COc1ccc(-c2onc(N3CC[C@@H](c4cc[nH]n4)C3)c2C(=O)O)cc1 2356143886 BLCUVSHPABITDT-GFCCVEGCSA-N 354.366 2.765 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2ccc(F)cc2F)C1=O 2356165961 LUOKAHOVVJOCHQ-KRWDZBQOSA-N 372.437 2.521 0 50 FFAA CCOC(=O)C(=CNc1cc(OC)c(Cl)cc1OC)C(=O)OCC 2949304 HJOKWQANWGRSAX-UHFFFAOYSA-N 357.790 2.779 0 50 FFAA Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 225765054 SJXRJYRTGSCDJL-OAQYLSRUSA-N 355.482 2.884 0 50 FFAA Nc1nccnc1C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 114686486 PQRNBSMQFVSSOF-UHFFFAOYSA-N 365.368 2.631 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CN3C(=O)OC[C@@H]3C(C)C)CC2)c1 20774253 OCHRRBBOFPWSJP-GOSISDBHSA-N 360.454 2.842 0 50 FFAA CC[C@@H](O)CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67803923 KXWGKASVWANDMQ-GOSISDBHSA-N 371.481 2.630 0 50 FFAA O=C(CN1C(=O)COc2ccccc21)N1CCC2(C=Cc3ccccc32)CC1 20271845 OURQRVBDSRPWHM-UHFFFAOYSA-N 374.440 2.999 0 50 FFAA Cc1nc(CN)cc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 67446559 RWKZSHSPDFWEIR-UHFFFAOYSA-N 366.387 2.751 0 50 FFAA COc1ccc(N[C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC 23128836 MGYPHISWARSGBW-INIZCTEOSA-N 370.453 2.827 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)Cc3cnc4c(C)cccn34)cc2)no1 65491423 VJULNDUDYPYIMJ-UHFFFAOYSA-N 361.405 2.860 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C(C)=O)CC3)c(C)o2)c(OC)c1C 67908107 IEFSJMUMKUFTJF-UHFFFAOYSA-N 373.453 2.640 0 50 FFAA Cc1ccc(-c2nnc(NC(=O)NCCc3csc(N)n3)s2)cc1 23251569 JBCTWMVSCANJLG-UHFFFAOYSA-N 360.468 2.916 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)cc1 67621173 USYRMWCVQNVVTG-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Nc1ncc(CN2CC[C@@]3(CCCN(C(=O)CCC4CCCC4)C3)C2)cn1 67559740 DBKWFSCTBOGENL-NRFANRHFSA-N 371.529 2.844 0 50 FFAA CCN(CC)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65397343 IWFWLMOWESDKGA-LJQANCHMSA-N 355.486 2.589 0 50 FFAA O=C(NC[C@H]1COc2ccccc2C1)c1ccc(N2CCOCC2)cc1 63912731 TYHOPXCPROPHSF-INIZCTEOSA-N 352.434 2.504 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@@H](c3cc(=O)[nH]c(-c4ccsc4)n3)C2)n1 67725135 UMLCQPUVHSPADB-GFCCVEGCSA-N 369.450 2.550 0 50 FFAA O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cccnc1 64361380 RMTHVVMPPIFDSQ-IBGZPJMESA-N 359.495 2.977 0 50 FFAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccc(F)cc2)CC1 4904302 DPPNWQVSMFCYNP-IBGZPJMESA-N 371.387 2.807 0 50 FFAA CN(CC(=O)N(Cc1ccncc1)C[C@H]1CCCO1)Cc1ccc(F)cc1 219725321 AKXWOLQQBXJOFK-HXUWFJFHSA-N 371.456 2.860 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCO2 328655836 YUFPJDUDEPHSRV-YOEHRIQHSA-N 363.845 2.855 0 50 FFAA CC[C@H](NC(=O)CN(C)Cc1cccnc1)c1nc2cc(C)ccc2[nH]1 218817182 IZJCXNMGHONLRD-INIZCTEOSA-N 351.454 2.966 0 50 FFAA COCCN1CCC[C@]2(CCN(c3ccc(-c4ccccc4)nn3)C2)C1=O 72407505 DCSYFLKKBQAEQO-OAQYLSRUSA-N 366.465 2.609 0 50 FFAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](Cn2ccnc2)C1 77320377 FHJLMYXGKVGNKS-MRXNPFEDSA-N 362.433 2.791 0 50 FFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(CC3CCC3)CC2)C1 71774695 IIVVHUVBQMVDFE-IBGZPJMESA-N 370.541 2.674 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H](c2nc[nH]n2)C1 364015538 VTDGCXHHMHSIAA-HNNXBMFYSA-N 351.410 2.717 0 50 FFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 77427381 GATBLMNRWIOTOH-LJQANCHMSA-N 370.493 2.830 0 50 FFAA O=C(CCn1c(S)nnc1-c1cccs1)NC[C@H]1CCCS1 155066344 LDCLTGYMTLLSQH-SNVBAGLBSA-N 354.526 2.697 0 50 FFAA COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](Cc1ccccc1)C(C)C 155339728 ZMPDQHMJZPRVBU-IAGOWNOFSA-N 356.470 2.891 0 50 FFAA COc1cccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)O)C3)cs2)c1 32092540 VBFTWHICXCNMMP-CYBMUJFWSA-N 360.435 2.684 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCCCCC3)cc2)CC1 38836401 VOHYTGALXJMNIP-UHFFFAOYSA-N 373.497 2.977 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC4(CCNCC4)CN3)CCCC2)c1 72159143 HWXZMDIUVJIMNK-HXUWFJFHSA-N 369.553 2.963 0 50 FFAA CC(C)c1cc(NCCS(=O)(=O)c2ccc(F)cc2)n2nccc2n1 72473828 MVLBLZKWYJNQLL-UHFFFAOYSA-N 362.430 2.878 0 50 FFAA O=S(=O)(Cc1c(F)cccc1F)Nc1cc(-c2cccnc2)on1 373605353 XLTNANVLAHZCAW-UHFFFAOYSA-N 351.334 2.957 0 50 FFAA O=C(Nc1cnc2c(c1)CCCC2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 333556050 VKSKUOOOYWEVIK-GOEBONIOSA-N 364.449 2.773 0 50 FFAA CNC(=O)[C@@H]1CCCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 172302806 PNAYSLFIONCSBF-OAHLLOKOSA-N 361.486 2.531 0 50 FFAA Cc1nc(COc2ccc(NC(=O)CC3C[C@@H]4CC[C@H](C3)N4)cc2)no1 237675334 NTIVCQMYSCRGJF-VHRNVKJDSA-N 356.426 2.816 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)CCCCCN)C2)cc(N2CCCC2)n1 72419089 VMKXZSAXYFJFGT-QGZVFWFLSA-N 359.518 2.610 0 50 FFAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)C1(N2CCCC2)CCCC1 223955209 ORGJOPXWJTVHJI-IBGZPJMESA-N 367.497 2.934 0 50 FFAA CN1C[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)OCC1=O 221295860 DBIWUFNTEGIDTM-INIZCTEOSA-N 364.873 2.515 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 284479798 AJXAVCGNQMFMKB-FQEVSTJZSA-N 356.470 2.529 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(C(C)=O)s2)C2CC(O)C2)cn1 223899565 FJIZSNARRXPYEU-QWQCLYJRSA-N 360.435 2.596 0 50 FFAA Cc1cnn(CC2CCN(C(=O)Cn3ccnc3-c3ccccc3)CC2)c1 426737516 NOJJIOCVJJNUPF-UHFFFAOYSA-N 363.465 2.994 0 50 FFAA CC(C)CC[C@H](C)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 426493163 KQQNHRWAZDHMGQ-INIZCTEOSA-N 370.501 2.656 0 50 FFAA Cc1ccc2oc(NCc3cc4n(n3)CCCN(C(=O)N(C)C)C4)nc2c1 82121059 RTMTVKHFOALOOP-UHFFFAOYSA-N 368.441 2.832 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCC(Oc3cccnc3)CC1)C2 92004078 LJTUJNMTHLLFOD-MRXNPFEDSA-N 368.433 2.711 0 50 FFAA O=C(c1ccccc1-n1cccn1)N1CCC(N2CCSCC2)CC1 97553388 LLRSEQDBHXADNX-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(Oc3cccnc3)CC1)C2 92004082 LJTUJNMTHLLFOD-INIZCTEOSA-N 368.433 2.711 0 50 FFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)on1)CC2 97528935 BACIMWWGFYONDN-UHFFFAOYSA-N 369.469 2.662 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O 95504966 IVUFTWNNOJZRCZ-INIZCTEOSA-N 368.437 2.739 0 50 FFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 92037496 WXLXMXSXHMMIDW-IBGZPJMESA-N 358.442 2.762 0 50 FFAA COC(=O)N1CCN(C(=O)Nc2ccccc2OCc2ccco2)CC1 95524946 XBATYZBZCIPYJP-UHFFFAOYSA-N 359.382 2.775 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(Cc2cc3c(cc2C)OCCO3)C1 91706623 VTQJLOAFLYVICV-FQEVSTJZSA-N 363.454 2.860 0 50 FFAA Cc1ccc(F)c(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1Cl 91351194 MKXLRBPLHHALQZ-HUUCEWRRSA-N 368.880 2.954 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C[C@H]1CCOC(C)(C)C1)CC2 95520981 ZSRGJZOHVVMWDE-INIZCTEOSA-N 374.529 2.701 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC2(CCC(=O)N(C)C2)CC1 91620150 JLXMJTOIVFQERA-UHFFFAOYSA-N 369.509 2.609 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 238185874 ILDSFWFXYUKNNK-CQSZACIVSA-N 374.828 2.676 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3nnc(C4CC4)o3)C2)N1Cc1ccccc1 95382347 GCQGZRPRNMAMOK-DLBZAZTESA-N 352.438 2.570 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(OC)c(F)c1F)CO2 91644299 ISPGSELMNDCLAC-ZDUSSCGKSA-N 363.360 2.850 0 50 FFAA COc1ccccc1-n1cc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)cn1 243932712 BYHPAVDYPGWHAU-GASCZTMLSA-N 351.410 2.521 0 50 FFAA N[C@H]1C[C@@H](c2cc(NCCN3CCC(c4ccccc4)CC3)ncn2)C1 244601948 DUYCTIDZRKPUIV-KDURUIRLSA-N 351.498 2.973 0 50 FFAA CCc1n[nH]c2c1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)CC2 244673585 HRZYTWUIKPKYDL-UHFFFAOYSA-N 361.829 2.524 0 50 FFAA Cc1nc2ccc(NC(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)cn2n1 297122773 NQXWDYIDTZRBBB-NSHDSACASA-N 357.336 2.611 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCC4CCCCC4)c3CO2)cc1 263618691 UZSQGGIIVMZIDW-SFHVURJKSA-N 370.453 2.868 0 50 FFAA O=C(c1cccc(F)c1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263618000 QUYWTLIBZILDKA-UHFFFAOYSA-N 363.392 2.629 0 50 FFAA CCCN1C[C@H](NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1=O 534584538 OTCASUKSYDTKLS-MRXNPFEDSA-N 372.494 2.866 0 50 FFAA Cc1ccc(CN2CCN(C(=O)NCc3ccnc(C)c3)[C@H](C)C2=O)cc1 534576653 NQZFJECZDIMSLD-QGZVFWFLSA-N 366.465 2.641 0 50 FFAA NC(=O)C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 34194585 QIRPOVMESMPVKL-FQEVSTJZSA-N 374.440 2.897 0 50 FFAA biogenic COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(OC)c2)N1 34857850 NUBFFNNCFFBKKI-QFBILLFUSA-N 366.417 2.962 0 50 FFAA biogenic O=C1C[C@@H](CN2CCC(Oc3cccnc3)CC2)CN1c1ccccc1 299799769 SCWGNSDJVYAGGQ-KRWDZBQOSA-N 351.450 2.978 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H](O)c1cccc(Cl)c1 299800972 UGHGMYHYEAESLP-SFHVURJKSA-N 359.857 2.549 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(-c2ccsc2)[nH]n1 828211773 RWHQUKBFPHYOST-ZDUSSCGKSA-N 370.434 2.766 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2cccc3nccnc23)c1C 824424417 VDHADZJJOPIJOQ-UHFFFAOYSA-N 364.405 2.567 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2ncc(F)c(OC)n2)c1 584903115 YKLHDTGFNDRFBT-HNNXBMFYSA-N 359.401 2.932 0 50 FFAA CC(C)c1csc(CCNC(=O)NC2(C(N)=O)CCCCCC2)n1 670456623 CWGXJEFMEDBDMZ-UHFFFAOYSA-N 352.504 2.687 0 50 FFAA Cc1ccc(CC(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)cc1C 952972948 AXCCZUFBJXUQID-AWEZNQCLSA-N 351.406 2.929 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 163488976 DRDRPVMKCAOJTB-GFCCVEGCSA-N 373.265 2.558 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3noc(-c4ccccc4)n3)[C@@H](O)C2)cs1 1565513849 AGCFAENLUHJCHJ-HOTGVXAUSA-N 371.466 2.549 0 50 FFAA C[C@H](c1cnccn1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 170596959 QPZQEJXHNGVJEC-QGZVFWFLSA-N 352.482 2.723 0 50 FFAA CN(C)c1ccc(C(=O)Nc2ccc3oc(N4CCOCC4)nc3c2)cc1 170620380 ICWZKWJIAHJICW-UHFFFAOYSA-N 366.421 2.983 0 50 FFAA CN(CCOc1cccc(Cl)c1)C(=O)c1nc(N)nc2c1CCCC2 1506428221 PQFUIJUTFWXCCP-UHFFFAOYSA-N 360.845 2.742 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC[C@H](c3nc(CC(C)C)no3)C2)c1C 1506424203 HORKXGWQNLQCLB-HNNXBMFYSA-N 359.474 2.947 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529168609 HNEZWTALNZIEGY-WOJBJXKFSA-N 354.425 2.653 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC2(CC1)OCCc1ccsc12 1704297972 YYKLDTVHAAJMBK-UHFFFAOYSA-N 357.475 2.874 0 50 FFAA CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC(C)(C)OC3 5019446 KPAVNFKEKBKHJQ-UHFFFAOYSA-N 354.453 2.506 0 50 FFAA Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11957458 ADHGZSHTCOHQAM-NRFANRHFSA-N 374.431 2.917 0 50 FFAA COCCn1c(CN2CCC(C)CC2)cnc1S(=O)(=O)CCC(C)C 12433438 CJMFWCYLWIXWDI-UHFFFAOYSA-N 371.547 2.581 0 50 FFAA CC(C)(O)C(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 12577260 GSLWQLAOTMGURA-FQEVSTJZSA-N 350.503 2.569 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2CCCC2)c(Cl)c1Cl 13670854 RGUSBCHTHCTTAT-UHFFFAOYSA-N 367.298 2.766 0 50 FFAA Cc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)c1 18190540 PENMHUWVYYPVJV-IBGZPJMESA-N 367.424 2.588 0 50 FFAA Cc1nc(-c2c(C)ncc3c2CCN(C(=O)c2nc4ccccc4[nH]2)C3)no1 19744985 MBQUUPGSKZRLRV-UHFFFAOYSA-N 374.404 2.823 0 50 FFAA COc1ccc(N2CCN(C(=O)c3ccc([C@H]4CCCO4)s3)CC2)cn1 1857675871 GOJPAWQZZJWMFC-OAHLLOKOSA-N 373.478 2.966 0 50 FFAA Cc1nnc(N2C[C@@H](C(=O)NCc3oc4ccccc4c3C)CC2=O)s1 1857725317 PVUMMZCJLQXYID-LBPRGKRZSA-N 370.434 2.570 0 50 FFAA COCC1(NC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)CCCC1 1857725695 IPVRPNOZOFCMFC-ZDUSSCGKSA-N 373.478 2.725 0 50 FFAA Cc1nc(N2CCC[C@@](O)(CN3CCC(Cc4ccccc4)CC3)C2)no1 1857739374 PGIUUEDGSNQXMK-OAQYLSRUSA-N 370.497 2.664 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc[nH]c2C)cs1 328604496 KFKSOQDFMULFOB-ZFWWWQNUSA-N 350.463 2.773 0 50 FFAA Cn1ncc2c(O)nc(N3CCn4c(cc5ccc(Cl)cc54)C3)nc21 447674812 HDVPHYWJYFJNBH-UHFFFAOYSA-N 354.801 2.697 0 50 FFAA CCc1cccc2c(CC(=O)NC3CCN(C[C@H]4CCOC4)CC3)c[nH]c12 136814286 CJOVINLURNQXDQ-MRXNPFEDSA-N 369.509 2.890 0 50 FFAA CC[C@H](COC)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 151056561 INBYHXYFMZIZHK-JCNKGUOZSA-N 362.514 2.735 0 50 FFAA CCCn1ncc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)c1C1CC1 153838504 TYEFBVWDEBQVTM-KRWDZBQOSA-N 371.485 2.525 0 50 FFAA O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 370639939 MCSRHFBBMHEYDS-DJIMGWMZSA-N 360.841 2.890 0 50 FFAA O=C(c1ccc(CO)c(F)c1)N1CC[C@H](c2ccc3cccnc3n2)C1 912350303 HPAMFHIUJDRBMB-HNNXBMFYSA-N 351.381 2.891 0 50 FFAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@]2(C)CCCO2)CC1(C)C 865215829 ZGQMONSXHWHNLF-GOSISDBHSA-N 350.463 2.876 0 50 FFAA CON1CCC(CC(=O)N2CCC[C@@H](Oc3ccc(Cl)cn3)C2)CC1 1875267817 NTRRJGBFDHCHDN-MRXNPFEDSA-N 367.877 2.768 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 1875365232 CVLMTQZQXNLPRU-RBUKOAKNSA-N 374.456 2.929 0 50 FFAA C[C@H]1CCCCN1c1cc(C(=O)NC[C@H]2CC3(CCOCC3)O2)ccn1 1875325689 SSKLKCNSQRFYGV-DOTOQJQBSA-N 359.470 2.528 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc(F)cc1Cl 886039203 VSEXBBOTBYLUTM-DOTOQJQBSA-N 351.809 2.710 0 50 FFAA O=C(N[C@@H]1CCCc2sccc21)c1c[nH]nc1I 897412600 YWNQRZXBLCXGIY-SECBINFHSA-N 373.219 2.883 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 1072236 YQPBNKQEZCPNSS-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA O=C1C[C@@H](C(=O)N2CCN(c3cccc4nc[nH]c34)CC2)c2ccccc21 2325781320 DLLMKDQBJSFNOO-MRXNPFEDSA-N 360.417 2.582 0 50 FFAA O=C(CCCc1cccnc1)N[C@H]1C[C@H]2C[C@@H](NC(=O)C3CC3)C[C@H]2C1 2325855034 FPBYTYIDFIPWRA-QGFMHUBQSA-N 355.482 2.604 0 50 FFAA O[C@@H](CNC[C@@H](O)c1ccccn1)Cn1c2ccccc2c2ccccc21 2325861680 XOLSQUGGWDVUTE-KSFYIVLOSA-N 361.445 2.874 0 50 FFAA CC(C)CCC[C@@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(=O)O 2325876488 XJITWMKEXLNRJX-CYBMUJFWSA-N 369.487 2.676 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)C1 2325888792 ZXALQMCLHPQGHT-HZPDHXFCSA-N 358.486 2.664 0 50 FFAA Cc1nc(CCNC(=O)Cc2noc3ccccc23)nc2c1CCCC2 67804860 YOPBQESRWLKBMS-UHFFFAOYSA-N 350.422 2.706 0 50 FFAA O=C1O[C@](O)(N2CCOCC2)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 641072 LFTRHUSCXACLSG-LBPRGKRZSA-N 373.019 2.905 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)c3cccc(C(=O)O)c3)c2C(N)=O)C1 1190434 YWNPSMVMVWEYHX-SECBINFHSA-N 358.419 2.922 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356144917 RTSUCNLLOXIZNB-HXUWFJFHSA-N 354.454 2.719 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1 2522925 MEFZIKCDQQDAKF-UHFFFAOYSA-N 369.450 2.707 0 50 FFAA COc1cc(-c2ccc(C(=O)NCCc3cscn3)cc2)c(=N)[nH]c1C 2356151934 HVSMEANNICOEKI-UHFFFAOYSA-N 368.462 2.907 0 50 FFAA CCn1cnc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)c1 2356160554 XVILIZCOBLZPIG-UHFFFAOYSA-N 361.467 2.727 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 8729338 FJOJHQNKJRUBPT-QGZVFWFLSA-N 368.458 2.612 0 50 FFAA C[C@H](NC(=O)Cc1nn(C)c2ccccc12)[C@H]1OCCc2sccc21 421573720 JMHOLHKTHXJNPU-HXPMCKFVSA-N 355.463 2.996 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1OC 20149382 HDLFHIURXANDAH-KRWDZBQOSA-N 358.486 2.566 0 50 FFAA Cc1cc(CN2CCN(C(=O)NCC(C)(C)c3cccs3)CC2)on1 114533795 XPYSFOMWDXZDGR-UHFFFAOYSA-N 362.499 2.850 0 50 FFAA Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H](C(C)C)CC3)cc12 114744497 XNXMSXWJPQPOOR-CQSZACIVSA-N 350.488 2.724 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO 20512481 CJOITCLUZBMUBH-KRWDZBQOSA-N 362.543 2.849 0 50 FFAA C[C@H](NC(=O)CCNC(=O)c1ccccc1F)c1cn2ccsc2n1 55327515 QDYIYYWTIRMFMM-NSHDSACASA-N 360.414 2.532 0 50 FFAA C[C@@H](Nc1nccc(N2CCC(O)CC2)n1)c1ccccc1-n1cccn1 65455178 AGVIJOILHKFMFO-OAHLLOKOSA-N 364.453 2.797 0 50 FFAA Fc1ccc(N2CCCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 11936832 JSPDDAUFNWZVDM-UHFFFAOYSA-N 353.401 2.983 0 50 FFAA O=C(NC[C@@H]1CCCN(c2ccccn2)C1)c1scc2c1OCCO2 219338165 QITCOAODVYEDGG-ZDUSSCGKSA-N 359.451 2.561 0 50 FFAA CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(OC)cc1 4856818 VVXJVDGDMMGROS-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CCc4c(nc[nH]c4=O)C3)coc2c1C 71750281 RAXFXVMCARKBBD-UHFFFAOYSA-N 351.406 2.569 0 50 FFAA COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCC(=O)O 5634711 IKKNFRTTXSGQKM-UHFFFAOYSA-N 360.391 2.740 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72429815 ZUUKQWVWEZAIIO-MRXNPFEDSA-N 350.357 2.951 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CCc1ccco1 328647675 UEGOHJMGAIKEBK-KBPBESRZSA-N 351.447 2.740 0 50 FFAA COCc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)o1 39394566 NOXMDEUICQNBDO-OAHLLOKOSA-N 350.484 2.556 0 50 FFAA COCc1csc(NC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)n1 432947941 ISOHFYQVIOJOGN-SECBINFHSA-N 353.366 2.863 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)c1nc[nH]n1 364849618 FXXYHKSHHGBPFH-KRWDZBQOSA-N 359.393 2.902 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72163702 GWCXZKKINDJNTE-GOSISDBHSA-N 350.466 2.602 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)C2CCOCC2)C1 12718981 HMUIVSNMWYAOMR-GOSISDBHSA-N 374.525 2.835 0 50 FFAA O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCc1ccc(C(=O)O)cc1 238081314 AAGBLUNQXAQUEN-KRWDZBQOSA-N 366.417 2.635 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)CCCC2)cc1 72144425 IYXUSLZABGQTRU-HXUWFJFHSA-N 372.465 2.998 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCOC[C@H](O)C1 77322235 LRHNEEFFAIUQLD-SECBINFHSA-N 357.250 2.558 0 50 FFAA NC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)s1 331876390 UMEQLYDBPMVHEG-MRVPVSSYSA-N 372.372 2.609 0 50 FFAA Cc1cccc(N2CCN(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)c1 156150872 ZATJTETUKVYEOO-IBGZPJMESA-N 369.469 2.725 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCOC[C@@H](O)C1 77322237 LRHNEEFFAIUQLD-VIFPVBQESA-N 357.250 2.558 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCO3)[C@H](C)C1 72429562 OHDRNGXZJOTFOI-OAHLLOKOSA-N 352.434 2.981 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@H](O)c2cccc(Cl)c2)CC1 77437862 CKBBCPSTNUXMLG-GOSISDBHSA-N 364.873 2.625 0 50 FFAA CC(C)n1cc(Br)cc1C(=O)N(CC(=O)O)C1CCOCC1 236686396 XHXZLVNDLGPXOP-UHFFFAOYSA-N 373.247 2.537 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCc3ccccc32)cc1 215886842 HQTFLHKTNAGRTA-LJQANCHMSA-N 372.490 2.510 0 50 FFAA CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1c1nc(C2CC2)no1 375239518 JYHQSJNUPASGCO-GOSISDBHSA-N 364.453 2.621 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)c2cccc(CC3CCNCC3)c2)n1 72161388 MAKLYDWKYXDNFW-SFHVURJKSA-N 354.454 2.897 0 50 FFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)COc1ccccc1OCC(F)(F)F 237351186 HGNSHVFHEVLYCT-OLZOCXBDSA-N 360.376 2.735 0 50 FFAA Cc1noc(-c2ccc(N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)nc2)n1 71756870 CMGBYVWWIJTOLL-KRWDZBQOSA-N 369.469 2.913 0 50 FFAA Cn1ncc2c(NCc3noc(-c4ccco4)n3)nc(-c3ccncc3)nc21 72428754 XVVANDZAUHLUFE-UHFFFAOYSA-N 374.364 2.680 0 50 FFAA Cc1cccc([C@H]2CCCCCN2C(=O)CCN2CCCS2(=O)=O)c1 172094721 CIABWXPMRNAKEM-GOSISDBHSA-N 364.511 2.864 0 50 FFAA O[C@@H]1CN(Cc2ccc(Cn3cccn3)cc2)CC[C@H]1N1CCCCCC1 15061642 JXPHRXSCEJESSR-FGZHOGPDSA-N 368.525 2.743 0 50 FFAA CCCCS(=O)(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82097902 LFTAMOPBXSPNLC-UHFFFAOYSA-N 368.547 2.641 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220124694 JKGYETPHYWOVLI-RTBURBONSA-N 352.434 2.539 0 50 FFAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCCc3c(C(N)=O)cccc31)C2 173599200 OIJWKNFHHQLUDC-LJQANCHMSA-N 350.418 2.685 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 159908083 PQQJAWOSLUWQBO-OAHLLOKOSA-N 373.478 2.978 0 50 FFAA C[C@H](NC(=O)NCCN1CCNCC1)c1ccc(-c2ccccc2)cc1 426701713 VADUGMLOGDLEHT-KRWDZBQOSA-N 352.482 2.619 0 50 FFAA CSc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 222723069 CMIQTIUCBYBVGL-IAGOWNOFSA-N 358.463 2.908 0 50 FFAA CC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4nc[nH]c4c3)cc2)CC1 426441679 BFQTXPKEQXFOSG-UHFFFAOYSA-N 362.433 2.924 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3OC)c2)C1 426487310 IADUQYVBPYJGIU-KRWDZBQOSA-N 372.469 2.982 0 50 FFAA CCCN(C(=O)Nc1ccccc1CCC(=O)NC)[C@@H]1CCCC[C@H]1O 426428272 KDKDUEVRGVBWLD-QZTJIDSGSA-N 361.486 2.913 0 50 FFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)NCc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 426429879 XWFKYOKFGKOWEO-OSYLJGHBSA-N 373.888 2.679 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1F 95378297 UDKVPOLIIHMJDA-MRXNPFEDSA-N 374.460 2.612 0 50 FFAA O=C(NCc1cccc(-n2cccn2)c1)c1cc(-c2ccc(O)cc2)n[nH]1 95359747 CITKBZVGAHUINY-UHFFFAOYSA-N 359.389 2.898 0 50 FFAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1Cl)CC2 91255433 QHNWGSXYAAXKGC-CQSZACIVSA-N 364.873 2.566 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 97492417 ONXSCMTYDLGGLP-CQSZACIVSA-N 371.441 2.715 0 50 FFAA Cc1ccc2nc(C(=O)N[C@H]3CC(=O)N(c4ccccc4Cl)C3)cn2c1 91412489 DQWFVGFTCMBFQX-ZDUSSCGKSA-N 368.824 2.831 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)s1 95354092 HQMDOLLKTQDRLE-HNNXBMFYSA-N 374.510 2.729 0 50 FFAA O=C(Cc1ccccc1F)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95367685 IXGJWTSTAJLODN-PKOBYXMFSA-N 353.441 2.886 0 50 FFAA COc1ccc(CCN2CCO[C@H](COc3ccc(O)cc3)C2)cc1OC 96028196 CBHMEVDHBZYSLK-IBGZPJMESA-N 373.449 2.732 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc13)C2 91411399 DPWINYKNGIQRSB-NVXWUHKLSA-N 371.456 2.865 0 50 FFAA Cc1ccc(CN2CCN(c3nc4c(s3)c(C)nn4C)[C@H](C)C2=O)cc1 95528804 XKRYHHALUMBEEW-CQSZACIVSA-N 369.494 2.884 0 50 FFAA O=C(N[C@@H]1CCSC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95527669 IEMMJQBPTXRVET-MRXNPFEDSA-N 374.506 2.702 0 50 FFAA CSc1nc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cs1 91877024 GIETYNYMLJFWBQ-QGZVFWFLSA-N 365.524 2.730 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1coc(CN2CCOCC2)c1 95366666 DQRQNQRADCEVRZ-KRWDZBQOSA-N 359.426 2.694 0 50 FFAA Cc1nnc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1 95524378 URZGQJYHNISMMX-OAHLLOKOSA-N 366.425 2.619 0 50 FFAA Cc1nccn1-c1ccc(CNS(=O)(=O)CC2CCCC2)cc1F 178314644 CXZCDOQQVRXTTJ-UHFFFAOYSA-N 351.447 2.929 0 50 FFAA CCOCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 95377129 ASNWNNIBNJZGHT-SFHVURJKSA-N 358.482 2.668 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2cc(C)ccn2)CC1 91650449 IQUPABLAOAQBSG-UHFFFAOYSA-N 355.486 2.767 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CN(C)c2ccccc2O1 97288856 OJENPYXEGXMQJY-QGZVFWFLSA-N 354.435 2.547 0 50 FFAA CCCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)[C@H]1CCNC1 178900955 OLNSNMYDYOGKEN-INIZCTEOSA-N 359.449 2.744 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CSC(C)(C)C(=O)N1 97528985 LQSUJYRUASUYIP-CYBMUJFWSA-N 370.902 2.707 0 50 FFAA CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)O 236957731 MYPVEBJGBHGHMN-ZJUUUORDSA-N 368.377 2.606 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC[C@H](Cn2ccnn2)C1 183829055 XAKCAYQZJFRFQR-YOEHRIQHSA-N 373.432 2.753 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 534655229 ZNHNXUZQCBBMQS-HXUWFJFHSA-N 372.490 2.756 0 50 FFAA Cc1nc(-c2ncc(C(F)(F)F)cc2F)nc(S(C)(=O)=O)c1F 261494981 ZMFDGPGHBMKUIC-UHFFFAOYSA-N 353.272 2.548 0 50 FFAA Fc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c(F)c1F 299759447 RWVJBNYSCUTQJT-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA CC(C)S(=O)(=O)N1CCC[C@H](CNC(=O)CCC2CCCCC2)C1 952966711 FQSDECZBIBTIRL-QGZVFWFLSA-N 358.548 2.913 0 50 FFAA CN(C)c1ncc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1Cl 1434999172 MQTOGSNMNHOPHN-UHFFFAOYSA-N 356.817 2.693 0 50 FFAA COc1cc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc(OC)c1 1565514910 NZPYIWVRENLXLF-MOPGFXCFSA-N 371.433 2.783 0 50 FFAA CCNC(=O)N1CC[C@@H](NC(=O)N[C@H](CC)c2cc(F)ccc2F)C1 268513160 CUJRCZDEIKNIKX-IUODEOHRSA-N 354.401 2.519 0 50 FFAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCCN1 166803761 OALLOWSOQFIPRQ-IBGZPJMESA-N 361.449 2.693 0 50 FFAA Cc1noc2ncnc(N[C@@H](Cc3ccccc3)C(=O)N3CCCC3)c12 192512880 OEJWITGNXSSPQL-HNNXBMFYSA-N 351.410 2.572 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)/C=C/c1cc(CO)cs1 1506418545 ZOPWROGMADUVMN-NSCUHMNNSA-N 361.448 2.623 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCN(c3ccncc3)CC2)c1 1506430288 YJIVBKSKQCCABC-SFHVURJKSA-N 352.482 2.698 0 50 FFAA CC(C)(C)[C@H]1CN(C(=O)Cn2ccc(=O)cc2)C[C@@H](c2ccccc2)O1 1529110056 KFGQFRAIGOGNMY-RBUKOAKNSA-N 354.450 2.863 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(C(=O)[C@@H]2CC23CC3)CC1 1704307935 AKBJNYAKMFQNJP-KRWDZBQOSA-N 356.466 2.950 0 50 FFAA O=C(Nc1ccc(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cc1)C1CC1 1704297419 RCODWZBTAYEPCB-NQIIRXRSSA-N 356.466 2.731 0 50 FFAA CCN1CCN(Cc2cc(C)cc(CN3C[C@H]4C[C@@H](O)C[C@H]4C3)c2C)CC1 1800411147 GWLRWPNDQUSDGB-NUNAXRQHSA-N 371.569 2.644 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 1772810251 FFJCABBAWYDOAO-OAHLLOKOSA-N 362.420 2.925 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)n1 11820174 CHUPNNFIVMGSCJ-UHFFFAOYSA-N 364.409 2.685 0 50 FFAA CC(=O)Nc1ccc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)cc1 11873144 IFXCJAIWRBZZIX-GOSISDBHSA-N 366.465 2.682 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n1 12432122 YLSOUSYSSCHHTO-HNNXBMFYSA-N 358.490 2.880 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ocnc4C)C3)C2=O)c1 12701892 XVLKUVXNPGWXED-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nn1C 12747400 GXHFCFOVDQPLFQ-INIZCTEOSA-N 371.391 3.000 0 50 FFAA COc1cc(OC)c(OC)cc1/C=C/c1cc(C(F)(F)F)[nH]c(=O)n1 13571124 BFUFQLNGGUMYSI-SNAWJCMRSA-N 356.300 2.985 0 50 FFAA CC(C)CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 169364278 QSPUODWHQMJTCS-NNFUDEMPSA-N 361.463 2.619 0 50 FFAA aggregator CN(C)C(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(Cl)c1)C2 1857530386 DXAMQIDGQVYVDO-YUTCNCBUSA-N 359.813 2.658 0 50 FFAA NCCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857697221 KWZLVZDDTODXFJ-FQEVSTJZSA-N 373.541 2.824 0 50 FFAA CCOCCC(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C)C[C@]23CC[C@H]1O3 1857724770 BYBPUDDXFIDYSZ-GPQLQYNLSA-N 372.509 2.517 0 50 FFAA CNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CC(C)C)cc1 242292563 YNIAWGNYTKZNIG-UHFFFAOYSA-N 360.479 2.723 0 50 FFAA Cc1cc(OCC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)no1 791973502 GYQRLLYCQDCJQO-GXFFZTMASA-N 369.190 2.936 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)o1 162865022 SOAQTDIRBQMSJF-DNVCBOLYSA-N 374.462 2.729 0 50 FFAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1cc(F)c(Cl)cc1Cl 952888062 BWSDVUICMOGVQM-MADCSZMMSA-N 359.188 2.758 0 50 FFAA Cc1cc(C)cc([C@H](N)C(=O)N[C@@H](CC(N)=O)c2ccc(Cl)cc2)c1 1875287434 KJDFVHTYZFQBSP-WMZOPIPTSA-N 359.857 2.690 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](CC(=O)O)C(F)(F)F 1875270805 FOYULDJWGBALGK-QMMMGPOBSA-N 355.744 2.636 0 50 FFAA C[C@]1(CNC(=O)C2CC(F)(F)C2)CCCN(c2cncc(Cl)n2)C1 1875309317 HLUDZPJRVICQKK-OAHLLOKOSA-N 358.820 2.898 0 50 FFAA O=C(O)C12CCC(C(=O)N[C@@H]3CC4(CCOCC4)Oc4ccccc43)(C1)C2 1875325765 CBTVXPNNBIBOQV-APMMTJHUSA-N 371.433 2.821 0 50 FFAA Cc1nsc(N2CC3(CCN(C(=O)c4ccc[nH]4)CC3)[C@H]2C(C)C)n1 1875407639 FIRAJGIEJJDITF-OAHLLOKOSA-N 359.499 2.942 0 50 FFAA CCN1CCN(C(=O)c2ccc(NCc3ccnc4[nH]ccc34)cc2)CC1 2325761525 ONXUUJRHZHYASQ-UHFFFAOYSA-N 363.465 2.953 0 50 FFAA CN(C)c1ccc(C(C)(C)CNC(=O)N2CCC3(CCCO3)CC2)cn1 2325781149 PTKIBISSWGYIIK-UHFFFAOYSA-N 360.502 2.780 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CC2)C1 2325799737 VANGVHZSIQPKPP-UHFFFAOYSA-N 364.389 2.680 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)NC(C)(C)c3nc(C)no3)ccc21 2325889684 IRZJLUXJFBIGCM-UHFFFAOYSA-N 354.410 2.508 0 50 FFAA Cc1cc(=O)oc2cc(OC(=O)CNC(=O)OCc3ccccc3)ccc12 2132909 AVYLZKRSKKVURF-UHFFFAOYSA-N 367.357 2.933 0 50 FFAA biogenic CCC[C@]1(C(=O)O)CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1O 2356144469 ZEUAQZMVQXXOMX-RXVVDRJESA-N 372.465 2.955 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccn1 2371637 BEOBTJPEMJBAAI-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA Cc1c(C)n(CCCO)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 6719339 NPRZQGQLKCQTNR-UHFFFAOYSA-N 364.453 2.811 0 50 FFAA O=C(NCCn1ccc2c(Cl)cccc21)c1ccccc1-n1cnnn1 170625270 ACGCHBMOWWQDAB-UHFFFAOYSA-N 366.812 2.700 0 50 FFAA CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(OC3CCCC3)c1)CC2 114873268 OZDHMVIFQXVEPJ-HNNXBMFYSA-N 354.454 2.907 0 50 FFAA CC(C)c1nnc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)s1 25790544 VFCLVZSOGTVZOY-UHFFFAOYSA-N 363.462 2.561 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@@H](c1ccc(F)cc1)CNC2=O 65404795 LOVLNCXUYQBLTH-CYBMUJFWSA-N 353.401 2.892 0 50 FFAA Cc1cccc(-c2cnn(-c3ccccc3)c2NC(=O)Cn2nnc(C)n2)c1 23581561 JIBADDQHXXGMFC-UHFFFAOYSA-N 373.420 2.781 0 50 FFAA Cc1ccc(N[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C 20600609 JRTKMTINRLOFAD-QGZVFWFLSA-N 362.499 2.909 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc4sc(N)nc4c3)CC2)cc(C)n1 20781514 PONWKNJJTKDZJH-UHFFFAOYSA-N 367.478 2.853 0 50 FFAA O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC2(C=Cc3ccccc32)CC1 63855952 XYSRGSSTLHURJK-UHFFFAOYSA-N 359.429 2.917 0 50 FFAA CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C(=O)OC)c1C 2764254 ZTSJPFFLRLSVSI-SNVBAGLBSA-N 355.412 2.527 0 50 FFAA Cc1ccccc1OCCCN(C)C(=O)Cn1c(=O)oc2ccccc21 79174293 JFROTHAPHPGZAF-UHFFFAOYSA-N 354.406 2.830 0 50 FFAA O=C(O)c1cccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 4100512 IQNWRQIITAZQRE-UHFFFAOYSA-N 368.235 2.848 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 4987143 JEVYUEAEFJSPQI-GDBMZVCRSA-N 374.828 2.943 0 50 FFAA O=C(CSc1ccncc1)N1CCC2(CC1)C(=O)Nc1ccccc12 72148146 CDLBKLNZXHGJIR-UHFFFAOYSA-N 353.447 2.686 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(CCc2ccccc2F)CC1 328655845 YVBBUVAVHYGDNK-QGZVFWFLSA-N 357.477 2.727 0 50 FFAA O[C@@H](CNc1nc(-c2cccnc2)nc2c1CNC2)c1ccccc1Cl 72170385 OFLYMAFJNOSXRC-KRWDZBQOSA-N 367.840 2.941 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1 328622622 IOHHRVGYBZADJL-WCQYABFASA-N 360.487 3.154 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(c3cnccn3)C2)cc1OC 72468123 VTWVOYVTZIKCHW-QGZVFWFLSA-N 356.470 2.637 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1CCCn1cccn1 12703599 ROZYOVILWDDMFB-IBGZPJMESA-N 364.453 2.562 0 50 FFAA Cc1nc(CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cs1 72427050 RSODLUXNXQMDGT-UHFFFAOYSA-N 359.499 2.718 0 50 FFAA CS(=O)(=O)Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1F 124460418 HDLSUIRFXBHXMU-QGZVFWFLSA-N 363.410 2.623 0 50 FFAA O=C1C[C@@H](C(=O)N2CC=C(c3ccccc3F)C2)CN1Cc1ccco1 370068952 CPUWARCKEKQKRL-OAHLLOKOSA-N 354.381 2.693 0 50 FFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)cc1 331155737 KHRNMYISKDJOSP-RDJZCZTQSA-N 372.490 2.969 0 50 FFAA CCOC(=O)c1ccc(CN2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)o1 72132035 QNJLRZDINLVZFB-OAQYLSRUSA-N 368.433 2.967 0 50 FFAA O=C(C[C@H]1CCCN1S(=O)(=O)C[C@H]1CCCOC1)c1ccc(F)cc1 239882272 DAWHCBHNFRGAED-WMLDXEAASA-N 369.458 2.619 0 50 FFAA Cc1nc(C2CC(O)C2)cc(N2CCC(OCc3ccccn3)CC2)n1 222753971 MWOYYZBRUIHNGT-UHFFFAOYSA-N 354.454 2.604 0 50 FFAA CC(C)c1cc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)nn1C 174272645 URLKRMRKWKACDU-UHFFFAOYSA-N 353.426 2.647 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 426737367 IKWXLMQKBSUQPT-UHFFFAOYSA-N 369.513 2.875 0 50 FFAA O=C(NCCCC[C@H]1CCCO1)N1CCN(c2ccc(Cl)cn2)CC1 426428065 OILKFOHHCHAZBH-INIZCTEOSA-N 366.893 2.916 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1sc(COC)nc1C 230504378 ABWWYIUPSMHNOF-INIZCTEOSA-N 359.495 2.661 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)N(C)C)c1 95366309 PWMHRQMKJKHGCE-NRFANRHFSA-N 366.509 2.727 0 50 FFAA c1ccc(C(CN2CCN(CCn3cncn3)CC2)c2ccccc2)cc1 97610152 BGCMUPBOQZZXPW-UHFFFAOYSA-N 361.493 2.728 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc(-c3nnn(C)n3)cc2)c(C)s1 91645874 KTXPHJCFHCOJGS-SNVBAGLBSA-N 356.455 2.784 0 50 FFAA COC(=O)COc1ccc(NC(=O)NCc2c(C)cc(C)nc2OC)cc1 96149911 KADYEWVSWQSTFR-UHFFFAOYSA-N 373.409 2.581 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNc1ncc(F)c(N3CCCC3)n1)C2 91617099 PMZOVAUMDIXSHG-ZDUSSCGKSA-N 358.417 2.888 0 50 FFAA C[C@@]1(CO)CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97660299 BJNOLEFKXOZTND-OAQYLSRUSA-N 370.449 2.806 0 50 FFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1ccnc3ccccc13)CC2 426550698 YAEFKZRBQOLIQO-LKUPVBHCSA-N 370.449 2.848 0 50 FFAA COc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c2ncccc2c1 96160968 BIQLQYPLRRXUAS-INIZCTEOSA-N 372.469 2.818 0 50 FFAA Cc1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)c2c(C)nn(C)c2n1 95372594 OJZKSSHUFBIEPN-HNNXBMFYSA-N 364.449 2.956 0 50 FFAA O=C(NCc1cccc(F)c1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91440093 DPQJCGHTLNKDMY-FQEVSTJZSA-N 359.445 2.760 0 50 FFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(SCCO)cc2)C1 91986919 HXKXXXQEZURMPC-SFHVURJKSA-N 351.468 2.878 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCC(Nc3ccccn3)CC1)C2 92019531 GYDUGIYIPFURPV-MRXNPFEDSA-N 367.449 2.744 0 50 FFAA O=C(c1cccnc1N1CCOCC1)N1CCC[C@@H](Nc2ccccc2)C1 178659119 FGQYOVZKQBAAEW-GOSISDBHSA-N 366.465 2.635 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cs1 291386734 ZUAONXOAZWRUDC-LJQANCHMSA-N 373.478 2.559 0 50 FFAA C[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)n1cc(Cl)cn1 91792890 XAYWRTXFDWKLGQ-LBPRGKRZSA-N 373.844 2.523 0 50 FFAA CCn1nc(C2(c3ccccc3)CC2)nc1CC[C@H](C)N1CCN(C)CC1 96140336 MOPYSCVUVNPPBJ-SFHVURJKSA-N 367.541 2.946 0 50 FFAA Cc1ncsc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95379849 OTSUNDNWSKXLIV-RCCFBDPRSA-N 369.490 2.860 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 95523038 QTFXCTZRYAHDBM-FQEVSTJZSA-N 366.465 2.765 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1cccc2nccnc12 97402586 UOOQUXURRKXRNT-LJQANCHMSA-N 361.449 2.982 0 50 FFAA CC(C)(C)NC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95358979 XLUFLLOQUNSFAN-KFKAGJAMSA-N 371.481 2.785 0 50 FFAA CC(C)Cc1cc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)[nH]n1 97602504 BDMDLTMAPRZZBQ-HXUWFJFHSA-N 353.422 2.858 0 50 FFAA C[C@@H](Oc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@H](n2cnnc2)CC1 244884421 YMGBAFIDQIGWOH-MRVWCRGKSA-N 350.369 2.624 0 50 FFAA COc1ccc(-c2noc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)n2)cc1 294297821 WBMRMVTXYPCSOD-IMJJTQAJSA-N 357.410 2.963 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 181057622 QDWFOKVOEJLFLD-DYVFJYSZSA-N 372.396 2.797 0 50 FFAA Cc1cccnc1N1CCN(C(=O)NC(C)(C)CN2CCCCCC2)CC1 534658709 PGSLRADNWRZOLY-UHFFFAOYSA-N 373.545 2.876 0 50 FFAA CN(C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H](CN)C2)c1 534652323 JSMYBMUXJITFPE-KRWDZBQOSA-N 367.493 2.715 0 50 FFAA Cc1cccc2c1cc(C(=O)NC1CCN(C(=O)N3CCCC3)CC1)n2C 299762472 XHXYPHSEWINGEG-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)n2)c1 299790835 BYJOCZQVMZQDIU-HNNXBMFYSA-N 369.421 2.927 0 50 FFAA O=C1c2ccccc2C(=O)N1C[C@@H](O)CNc1cccc(C(F)(F)F)c1 390834914 RBLCHTJNQRXRNP-ZDUSSCGKSA-N 364.323 2.774 0 50 FFAA Cc1ccc([C@H](NC(=O)CN(C)C2CCNCC2)c2cccnc2)cc1C 827825746 INLHNKSNFNXRCY-QFIPXVFZSA-N 366.509 2.588 0 50 FFAA C[C@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3ccccc3)s2)CC1 301441511 NEGCMZQENJXIDH-CQSZACIVSA-N 356.495 2.599 0 50 FFAA CC1(C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCC(=O)CC1 408490517 BKCBOAGDWCOCTG-UHFFFAOYSA-N 365.785 2.573 0 50 FFAA O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1 170676755 POYWEBUAGSNARZ-GOEBONIOSA-N 372.494 2.872 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@](C)(O)C1CCCCC1 190522976 SEYBPUZVDYCANL-SFHVURJKSA-N 360.483 2.970 0 50 FFAA O=C(O)COc1ccc(CN2CCCN(Cc3cccs3)CC2)cc1 1506397691 XSEGIVNRAVTZGP-UHFFFAOYSA-N 360.479 2.919 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1Cc2ccccc2CN1C 1506408194 VPORZTZTBIDBPQ-GOSISDBHSA-N 374.506 2.647 0 50 FFAA Cc1ccccc1-n1cc(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cn1 1529186638 JBKNYPIPBZWHPS-CTNGQTDRSA-N 368.481 2.552 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCC3(CC2)OCCc2sccc23)cc1 1704337329 VBRXIMLVFNZRCV-SFHVURJKSA-N 373.474 2.881 0 50 FFAA O=C([C@@H]1CCCCN1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704342003 BIGVCYVNHUAZQY-SFHVURJKSA-N 353.466 2.700 0 50 FFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704326181 ZSKCICKZTNWNTO-QGZVFWFLSA-N 358.486 2.693 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)c1ccc2c[nH]nc2n1 1775979401 UXDJINREQOBLLU-UHFFFAOYSA-N 354.385 2.575 0 50 FFAA COc1cc(COC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 5028787 JWZWSTLHLYUEGT-UXLLHSPISA-N 367.486 2.853 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C(C)=O)c1C 5051042 RPTLHTDJOBHNCA-UHFFFAOYSA-N 352.456 2.860 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2ncc[nH]2)C1 12302837 AROKRNGYNZGRNG-FQEVSTJZSA-N 357.454 2.806 0 50 FFAA O=C1N(Cc2ccccc2F)CCC[C@@]12CCN(Cc1ccc(CO)o1)C2 12704783 MDKBROHLWTXVBM-NRFANRHFSA-N 372.440 2.926 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(Oc4ccccc4Cl)C3)n[nH]c21 1857531428 SLNDQSYPSUWMSJ-MNOVXSKESA-N 361.829 2.989 0 50 FFAA CNC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 237303656 HUHBJWKYGNFUFI-UONOGXRCSA-N 369.303 2.983 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)c1cc(C(F)(F)F)nc2ncnn12 444868376 BSDNQNSQAKBICM-UHFFFAOYSA-N 353.352 2.800 0 50 FFAA CCCN1CC[C@@H]2N(C(=O)c3cc(C)n(CC)c3C)CCC[C@@]2(CO)C1 247858682 YUSNOOLEDBMCEY-FPOVZHCZSA-N 361.530 2.824 0 50 FFAA Cc1ccc([C@H](C)[C@H](O)C(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1 1875255950 NYWQMUIRWRAODN-LSKLOWJMSA-N 367.367 2.727 0 50 FFAA O=C([C@@H]1CCc2nnc(-c3ccccc3)n2C1)N1CC=C(c2cccnc2)C1 1875286039 KQWHRVHUKCTAFF-LJQANCHMSA-N 371.444 2.828 0 50 FFAA O=C(NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)Nc1ncc(C2CCOCC2)s1 1875306461 HQGFLXFUGLKENM-YIYPIFLZSA-N 351.472 2.566 0 50 FFAA Cc1ccc2c(N3CCC[C@@H](c4n[nH]cc4C(=O)N(C)C)C3)ccnc2n1 1875390934 GKZVPYPYEWYJFY-CQSZACIVSA-N 364.453 2.747 0 50 FFAA CNC(=O)C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC2(F)F)C1)c1ccccc1 1875315960 OXLBYKLFNLFOAB-XHSDSOJGSA-N 365.424 2.941 0 50 FFAA CC1(C)[C@@H](NC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)[C@@H]1c1ccccc1 1875301983 ZXRRXJQWJSATQQ-COXVUDFISA-N 368.437 2.579 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[C@@H]2C[C@H]12 1875407467 AOUOQHAFZXOFBB-APKPSSDNSA-N 352.478 2.977 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C3CC4(C3)C[C@H](N)CCO4)cc2)c1C 2325795769 XSSBMQZOSLWJPK-LFDOHDQPSA-N 354.454 2.714 0 50 FFAA O=C(C1=CNC2=NCCCC2=C1)N1CC[C@H](c2ccc3cccnc3n2)C1 2325806274 AMBCZYVZNDOCRM-INIZCTEOSA-N 359.433 2.552 0 50 FFAA C[C@@H]1CCO[C@@H]1CC(=O)N(CCNC(=O)C1CC2(CCC2)C1)CC1CC1 2325866650 UDUOVNRUUNRHPI-CRAIPNDOSA-N 362.514 2.737 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cccc(Cl)c1Cl 916290 FMJLNECYBNZOAI-UHFFFAOYSA-N 374.249 2.793 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2sc(=N)[nH]c2C)CC1 2356142865 LBQQQUIIWODKFT-UHFFFAOYSA-N 373.478 2.577 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cccc(O)c3)C2)[C@@H]2CCCC(=O)N12 2356153775 URYAYVNWVDJAHU-HNJRGHQBSA-N 370.493 2.963 0 50 FFAA CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)c1C 4667061 OASWDBPPKFPXJP-UHFFFAOYSA-N 363.435 2.909 0 50 FFAA CC(C)NC(=O)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 6700577 QGRSNBHYIYUZOR-UHFFFAOYSA-N 353.304 2.625 0 50 FFAA CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc(-n3cncn3)c(F)c2)cc1 225468251 CHFWNKUFMGFJNV-SFHVURJKSA-N 367.428 2.960 0 50 FFAA CCc1cc(C(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)n(C)n1 12074605 YJUHGOPRWVSMLH-ZDUSSCGKSA-N 350.426 2.634 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1C 106720740 KCIDLKYJMMFOGW-QFIPXVFZSA-N 370.541 2.979 0 50 FFAA CCSCCN(C(=O)Cn1nc(Cl)ccc1=O)C1CCCCC1 55269870 LTOGHKQVSNZKGQ-UHFFFAOYSA-N 357.907 2.811 0 50 FFAA CCC[C@@H](NC(=O)Cn1ccc2ccccc2c1=O)C(=O)OC(C)(C)C 468406489 BSPCKMWPQJISPS-MRXNPFEDSA-N 358.438 2.628 0 50 FFAA CC[C@@H](NC(=O)C1(Oc2cccnc2C)CCNCC1)c1cccnc1 65398672 HIRZLGMAZLUKGV-QGZVFWFLSA-N 354.454 2.554 0 50 FFAA CC(C)N(Cc1cccc(C(=O)Nc2cnccn2)c1)Cc1cnn(C)c1 65408313 PQQDLAUCPCDDEC-UHFFFAOYSA-N 364.453 2.873 0 50 FFAA COCCN1CCC(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)CC1 72463155 CCAPYWJEBYYLOZ-GOSISDBHSA-N 374.460 2.724 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 67847791 MVNFHOMNKGEXGS-AWEZNQCLSA-N 372.425 2.553 0 50 FFAA CCN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 35802726 PERZUIFJMRNPMD-UHFFFAOYSA-N 357.690 2.973 0 50 FFAA Cn1ncc(Cl)c1-c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2800366 AKOKUMQLUGAYSO-UHFFFAOYSA-N 350.773 2.517 0 50 FFAA CCn1c(S)nnc1C[S@@](=O)Cc1ccc(Br)cc1 5679260 QDEYJGWPBFPPNE-LJQANCHMSA-N 360.302 2.798 0 50 FFAA CO[C@]1(CC(=O)c2ccc(Br)cc2)C(=O)N=C2C=CC=CN21 6668773 IHAQTEPFTJYQKN-MRXNPFEDSA-N 361.195 2.689 0 50 FFAA COc1ccc2cc([C@H]3CN(C(=O)CNC(=O)C(C)C)CCO3)ccc2c1 71721321 YSZUXPPSXUFAKG-LJQANCHMSA-N 370.449 2.521 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(-c3ccccn3)cc1)C2 72161950 KWMMNNJKCPBIMN-CTNGQTDRSA-N 351.450 2.777 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3conc3-c3ccccc3)CC2)OC1=O 72151854 GVFDJXTYAUKPMY-IBGZPJMESA-N 355.394 2.789 0 50 FFAA OC1CCN(c2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)ncn2)CC1 71681925 XCTWVXWSSHMDQR-QGZVFWFLSA-N 374.872 2.669 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77303327 OQBXOUWRBULGNC-HNNXBMFYSA-N 370.428 2.544 0 50 FFAA Cc1ccc(CN2CCN(C(=O)CCc3ccc(O)cc3)CC2=O)cc1C 72411851 PMVCPDRRLDJNSB-UHFFFAOYSA-N 366.461 2.813 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 156779662 CNXJGQQWPIJJDZ-QGZVFWFLSA-N 353.422 2.662 0 50 FFAA CN1CCN(C2(CNC(=O)c3ccc4cccc(F)c4n3)CCCC2)CC1 216046033 LSQRFVJBKQHCKH-UHFFFAOYSA-N 370.472 2.664 0 50 FFAA O=C(COc1ccccc1F)N1CCC(O)(Cc2ccccc2F)CC1 373350979 RDXXHLPEXLUORG-UHFFFAOYSA-N 361.388 2.940 0 50 FFAA COCCC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1 158380922 DYSOQDZWTDOOFD-UHFFFAOYSA-N 352.500 2.803 0 50 FFAA O=C(CCN1CCO[C@H](C(F)(F)F)C1)NCc1ccccc1Cl 71753150 VVPUOFKNMXZLBT-ZDUSSCGKSA-N 350.768 2.609 0 50 FFAA CCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C[C@@H]1C=CCC1)CC2 72410524 NHYRXWANGUCQLY-MRXNPFEDSA-N 354.498 2.923 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C(=O)N1 72468433 SNWCJIIJTUSNNX-KRWDZBQOSA-N 367.380 2.859 0 50 FFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)C1=Cc2cc(Cl)ccc2OC1 77489823 HHGMYICIOVXLGZ-INIZCTEOSA-N 363.841 2.960 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1cccc(Br)c1 237936033 KXSSFYQDWFKMQP-STQMWFEESA-N 356.216 2.650 0 50 FFAA O=C(NCCc1nc2ccccc2o1)C1CCN(Cc2ccco2)CC1 222535535 QRYLBLUUYSNJAX-UHFFFAOYSA-N 353.422 2.992 0 50 FFAA C[C@@](O)(CNC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)O 263499025 SDFCLMWAZFEUKJ-GOSISDBHSA-N 350.415 2.603 0 50 FFAA COCCn1c(C)cc2cc(NC(=O)N(C)CCc3noc(C)n3)ccc21 426727576 YTMKSXANKKDMGF-UHFFFAOYSA-N 371.441 2.994 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)C2)n(C)n1 82138485 RXOMYOUGPWYDOV-UHFFFAOYSA-N 374.444 2.885 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CN)cc2)cc1 426726740 JBLFCCLCUBWLAS-GOSISDBHSA-N 372.490 2.711 0 50 FFAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cn2ccsc2n1 91769734 QGZLVCXVOXFVHA-AWEZNQCLSA-N 352.423 2.549 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)c2ccc(OCCN)c(OC)c2)c1 426431869 LTAFUXVDWBQMBN-QGZVFWFLSA-N 356.422 2.629 0 50 FFAA COc1ccnc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 95522529 BPTONZJJHAGJGV-HNNXBMFYSA-N 350.426 2.509 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)[C@H](c1cccnc1)N1CCCC1)CC2 95377239 ZOGTYKLJUJFNOH-NRFANRHFSA-N 365.477 2.855 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1c(C)nn(C)c1C 91849036 QTVDRHHBPFCWIE-GFCCVEGCSA-N 350.426 2.688 0 50 FFAA COc1cc(C(=O)NCC2(O)CCC(F)(F)CC2)c2ccccc2n1 426573315 STMAGSIOBBYMEP-UHFFFAOYSA-N 350.365 2.914 0 50 FFAA CNC(=O)[C@@H]1CCCCN1Cc1cnc(SCc2ccccc2)nc1 97635082 HZGPLGGPSXWBFL-KRWDZBQOSA-N 356.495 2.869 0 50 FFAA C[C@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)Cc2ccccc2O1 294309825 RTDFDFSGBNPQGQ-HNNXBMFYSA-N 352.438 2.503 0 50 FFAA CCNC(=O)c1ccc(N2CCC3(CC2)OCCc2ccsc23)nc1 539806892 MUENSIVXNZIBQM-UHFFFAOYSA-N 357.479 2.961 0 50 FFAA CN1CCN2CCN(C(=O)Nc3ccc(Cl)c4ccccc34)C[C@H]2C1 299796588 OWQLZDMQWNKYNR-CQSZACIVSA-N 358.873 2.957 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)c2c1 1565507784 DZALQBSBYQLTKR-WBCYEJBOSA-N 353.466 2.553 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)c(C)n1 275637133 JWCVKKIPUDYUFS-MRXNPFEDSA-N 371.510 2.677 0 50 FFAA COc1cc2nc(N(C)C[C@@H](O)c3ccc(F)cc3)nc(N)c2cc1OC 170625658 JHCGMAJEZYHSRM-OAHLLOKOSA-N 372.400 2.538 0 50 FFAA O=C(NC1CN(C(=O)c2ccnc(OC3CCCCC3)c2)C1)C1CCC1 188569445 QTQLIFICHCTCJY-UHFFFAOYSA-N 357.454 2.534 0 50 FFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2csc(CC(C)C)n2)C1 190054994 PTCKWURJHFGPOA-DGCLKSJQSA-N 350.444 2.635 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616127449 SRCJHPHJQFSSCR-BTYIYWSLSA-N 374.444 2.578 0 50 FFAA CC1(C)C(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)C1(C)C 1529114992 WZJGLOBAGIJXAF-CVEARBPZSA-N 364.873 2.695 0 50 FFAA Cc1nc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n(C)c1C 1529145766 GNMGDBDQBMUUKS-YLJYHZDGSA-N 350.466 2.621 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cn1 1529196452 ADPHUSGCIOVMFA-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA CSCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12028024 BBQXJPDHUGJIAE-UHFFFAOYSA-N 362.495 2.559 0 50 FFAA CCOC(=O)N1CCC(NC[C@@]2(c3cccc(F)c3)CCOC2)CC1 19782515 NDMKHQTWLPIDMP-IBGZPJMESA-N 350.434 2.694 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H](O)c1ccccc1)CC2 1857695608 QRWIPCVGAYTQIW-OAQYLSRUSA-N 361.445 2.748 0 50 FFAA OC[C@]1(Cc2ccccc2)CN(c2ncccc2C(F)(F)F)CC[C@H]1O 1857719287 IRBSVXSKXOSGOV-AEFFLSMTSA-N 366.383 2.893 0 50 FFAA CCCOc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1Cl 1857720039 BDNQAMPOAOIVEB-QEJZJMRPSA-N 352.862 2.720 0 50 FFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NC4CCOCC4)C3)nc2c1 1857724667 MLEYTGLAIZBBJL-CQSZACIVSA-N 373.453 2.738 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 331432339 CYXWNKOSJDENJM-CYBMUJFWSA-N 374.528 2.642 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ncnc4ccsc34)CC2)nn1C(C)C 449932287 SLXTUOUAWNLROJ-UHFFFAOYSA-N 370.482 2.740 0 50 FFAA O=C1COc2cc(N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)ccc2N1 151805863 IDKGCQLUTIMCTP-HNNXBMFYSA-N 357.797 2.888 0 50 FFAA O=C(NCC12CCC(C(F)(F)F)(CC1)CC2)c1nc[nH]c2ncnc1-2 1875291313 VBWMEHJELPRNMY-UHFFFAOYSA-N 353.348 2.937 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 1875367594 SYUGJQBTTDQUQI-UHFFFAOYSA-N 364.829 2.880 0 50 FFAA Cc1cc(CN)oc1-c1nc(-c2ccc(-n3c(C)cnc3O)cc2)no1 1875344966 QIRLXOVDFNFNDF-UHFFFAOYSA-N 351.366 2.963 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(Nc4ccccn4)CC3)nn(C)c21 1875404129 WFGWLZKPZFGAPE-KGLIPLIRSA-N 369.469 2.554 0 50 FFAA Cc1cc2[nH]c(C(=O)N3CC[C@H](C4CC4)[C@@H]3c3nnc(O)n3C)cc2o1 1875401831 UAUGVVPJULABAU-IAQYHMDHSA-N 355.398 2.517 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nnc(C3CC3)n2C2CC2)C1 888102852 QSSQAXOJKMBTNB-CVEARBPZSA-N 356.474 2.792 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4991082 DJOJPJZQEQKELV-KRWDZBQOSA-N 371.368 2.807 0 50 FFAA FC(F)(F)c1ccn(-c2ccc(CN[C@H]3CCc4nn[nH]c4C3)cc2)n1 2325777522 IXKMITBBABINNU-LBPRGKRZSA-N 362.359 2.656 0 50 FFAA COc1cc2ncnc(N[C@@H]3CCc4nnc(O)cc4C3)c2cc1Cl 2325802642 RKPZFTFSBYIMFQ-SNVBAGLBSA-N 357.801 2.757 0 50 FFAA O=C(NC[C@]1(F)C[C@H](C(=O)O)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 2325802993 IPXRXPZKBVYVCU-AZKDTHOKSA-N 374.290 2.999 0 50 FFAA O=C(CCc1ccccc1O)N1CCC[C@H](n2c(O)nc3cccnc32)C1 2325810921 PZLGTDWDSBHSLA-HNNXBMFYSA-N 366.421 2.639 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C 2325842617 CKRXJLDGNYVIGG-ZDUSSCGKSA-N 360.483 2.856 0 50 FFAA CC(=O)NCCC1CC(N=c2[nH]c3ccc(Br)cc3o2)C1 2325868238 UEDQYMLGQKKSFE-UHFFFAOYSA-N 352.232 2.729 0 50 FFAA COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@@H](O)C(C)(C)O)c1 907324696 TVUSDSOUUNOFAX-VAMGGRTRSA-N 369.461 2.884 0 50 FFAA O=C1C[C@@H](NNc2ccccc2)C(=O)N1c1ccc(N2CCCCC2)cc1 1049865 IZNNQIHVFFVRFN-LJQANCHMSA-N 364.449 2.926 0 50 FFAA CN1Cc2nnc(CCNc3ccccc3)n2[C@H](Cc2ccccc2)C1=O 2356168925 HVKXZVXMAVTXEW-GOSISDBHSA-N 361.449 2.689 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3cccc(OC)c3)C2=O)cc1 3864321 ZGDKRMHVGBBXBE-IBGZPJMESA-N 368.433 2.558 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C(C)=O)c2)cc1 4810051 DFSKZPSWESJHBI-UHFFFAOYSA-N 374.462 2.759 0 50 FFAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 225410964 DOGOQDSKZRGUID-OLZOCXBDSA-N 350.463 2.591 0 50 FFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nn1C 55199923 QHSKJYHZBGXBLC-SFHVURJKSA-N 364.449 2.895 0 50 FFAA CC1CCN(c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)CC1 61718200 BEQIYMXICQEYCR-UHFFFAOYSA-N 360.845 2.772 0 50 FFAA CC(C)Cc1n[nH]c(NC(=O)NC2CCN(c3ccccc3F)CC2)n1 23430927 XTLQTNAEYHLKGZ-UHFFFAOYSA-N 360.437 2.933 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CC(n3nc(C)cc3C)C2)c1 67783787 SFMURDMKPDUALS-UHFFFAOYSA-N 351.410 2.596 0 50 FFAA CCc1cccc(NC(=O)c2cccc(CN3CCC(=O)NC[C@H]3C)c2)n1 67894477 SULHQJSKCLUTEA-OAHLLOKOSA-N 366.465 2.607 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 67856874 RLMZHLXHJLLKAZ-AWEZNQCLSA-N 362.437 2.651 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@@H](CN3CCCCC3)C2)cc1 65406718 QGKKSXRMSNUDGY-SFHVURJKSA-N 350.528 2.788 0 50 FFAA CCOc1ccc(NC(=O)CSc2nnc(Cn3ccc(C)n3)o2)cc1 2806641 HSJPIVFECQWVGH-UHFFFAOYSA-N 373.438 2.752 0 50 FFAA Cc1cc(C)c(CN2CCn3nc([C@H](O)c4ccnn4C)cc3C2)cc1C 219474103 HCSYSKPEZCLZSO-NRFANRHFSA-N 365.481 2.639 0 50 FFAA COc1cccc([C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1OC 215541136 NZFPDHDWKYCVQS-INIZCTEOSA-N 365.437 2.873 0 50 FFAA FC(F)(F)c1cc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)[nH]n1 6448890 DQVDPEGCWQSCNO-UHFFFAOYSA-N 370.298 2.872 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 253429857 OOZZEPXVXHPFCI-YYIAUSFCSA-N 367.534 2.726 0 50 FFAA Cc1nc(CC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cs1 328632497 RZSJICKVWMWEOA-INIZCTEOSA-N 372.494 2.669 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)nn1C 215782951 LQZOAAAQLCZWAE-UHFFFAOYSA-N 351.809 2.645 0 50 FFAA Cc1ccc(OC2CCN(C(=O)[C@H]3CCCN(C(=O)N(C)C)C3)CC2)cc1 77342256 WVZBNBKYXNLBQV-KRWDZBQOSA-N 373.497 2.758 0 50 FFAA CN(C)c1ncc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1 154543672 VGBAWKMYHDBMFE-AWEZNQCLSA-N 374.420 2.917 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cnc(-c2ccc3c(c2)OCO3)s1 237972802 CXZRGEFNIBIMMF-FUNVUKJBSA-N 357.435 2.552 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ccc(Cl)cn2)CC1 77377733 AFSROCGQXZKBED-QGZVFWFLSA-N 357.841 2.777 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(CSC)o2)CC1 77343888 ONUYVXHLNQZXRY-UHFFFAOYSA-N 374.462 2.749 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 72154157 GNJQOKJWRBBOQN-MRXNPFEDSA-N 356.445 2.581 0 50 FFAA C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)C1(N2CCOCC2)CCCC1 330357498 SWHZSLVPYAGDEU-AWEZNQCLSA-N 374.510 2.902 0 50 FFAA COc1ccccc1OC1CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 72463145 VUOHEYAIFYHGBZ-SFHVURJKSA-N 355.434 2.669 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCc3csc(N)n3)C2)c1 77553783 IUEVAWMLPQLUOJ-LBPRGKRZSA-N 361.467 2.691 0 50 FFAA O=C(NCc1cnn(-c2ccccc2)n1)c1cc(Cc2ccccc2)no1 14991652 YFFFUGPFUBWSEZ-UHFFFAOYSA-N 359.389 2.776 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3c(C)[nH]c(C)cc3=O)C2)c1 72429049 ANYWLDVNMMRRTM-MRXNPFEDSA-N 370.449 2.932 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)N1CC2(CCC2)[C@@H]1C1CCOCC1 333333745 DCUMLGULJZTEHY-HKUYNNGSSA-N 356.466 2.981 0 50 FFAA CC(C)[C@@H]1N(C(=O)Nc2cnc(N3CCNCC3)nc2)CC12CCCCC2 333336771 PCDTXGAUHHXWPL-KRWDZBQOSA-N 372.517 2.709 0 50 FFAA CC(C)(C)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1 241132827 JLZTWSIRDZRZAJ-HXUWFJFHSA-N 352.519 2.719 0 50 FFAA CCOc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82161668 JVWYYRFIYBBFLS-OAQYLSRUSA-N 360.498 2.672 0 50 FFAA Cc1ncsc1CCC(=O)NC1CCN(c2ccc(Cl)nn2)CC1 82161651 ANNZIHUJZCXRLC-UHFFFAOYSA-N 365.890 2.613 0 50 FFAA CCCN1CCCn2nc(CNC(=O)c3cccnc3SC)cc2C1 82120978 ZINCMPRTMGJDRQ-UHFFFAOYSA-N 359.499 2.546 0 50 FFAA O=C(NCC1CCN(C2CCCC2)CC1)N(CCCO)Cc1cccnc1 426478891 KLSCQFWZXLWKTC-UHFFFAOYSA-N 374.529 2.630 0 50 FFAA Cc1ccc(C2(C(=O)N3CCC(n4cc([C@@H](C)O)nn4)CC3)CC2)cc1 20541645 KSPDKSGICRHZIF-OAHLLOKOSA-N 354.454 2.535 0 50 FFAA CCn1nccc1C(=O)N1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 426421180 OIIYCSZSZRAZDO-OXFYSEKESA-N 370.453 2.529 0 50 FFAA Cc1cccc(CN2CC[C@H]3CN(C(=O)c4onc5c4CCCC5)C[C@H]32)n1 426420323 ZPKUEUHWFIKERC-HNAYVOBHSA-N 366.465 2.603 0 50 FFAA CC(=O)c1cc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n(C)c1 95375915 MOYAUXXLZJQMPB-HXUWFJFHSA-N 365.477 2.866 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)Cn2ccnc2-c2ccccc2)C1 91381868 VBNSJBVYHHQTDH-JOCHJYFZSA-N 361.445 2.979 0 50 FFAA Cc1nnc(SCCCNC(=O)c2ccc(CN3CCCC3)o2)s1 97480032 SYUILUIAYHIFKJ-UHFFFAOYSA-N 366.512 2.948 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(Cc1ccc3nsnc3c1)CC2 95525042 BXDCWJDZVBXGAR-UHFFFAOYSA-N 368.510 2.784 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc(-n2cncn2)cc1 95527475 VMBODNYMFAULGP-UHFFFAOYSA-N 365.441 2.923 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(N2CCCC2=O)ccc1F 237981701 ITGQBULXBUWDHJ-ZLIFDBKOSA-N 374.412 2.810 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3C(=O)O)c12 237878187 SXKMPBYRIQXYAH-MRXNPFEDSA-N 364.405 2.633 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cc2cc(OC)ccc2n1C 91893875 IOXBJVDQXZFMNI-UHFFFAOYSA-N 373.482 2.629 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(Cc2ccco2)C1 95498493 ITXMSCXQRCIRBS-HXUWFJFHSA-N 367.493 2.666 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cs1 96153691 ORYWDRBNNOVMKA-INIZCTEOSA-N 374.466 2.682 0 50 FFAA Cn1c(CCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc2ccccc21 91650783 ZQCAEIAJECFLJV-UHFFFAOYSA-N 372.428 2.901 0 50 FFAA CN1CCN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)C[C@@H]1CO 97402353 GNWSSQMOEASKRP-OAHLLOKOSA-N 359.401 2.758 0 50 FFAA Cc1ocnc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95504061 TWGPPAWFDGAGDM-CYBMUJFWSA-N 357.439 2.704 0 50 FFAA CCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1 244874619 XELZANRJVSTCFO-NSHDSACASA-N 354.418 2.664 0 50 FFAA CC(C)(C)CC(=O)NCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 181473386 AEVHSUYGEUFCBK-UHFFFAOYSA-N 374.407 2.618 0 50 FFAA COc1cc(-c2nc3nccc(-c4ccncc4)n3n2)cc(OC)c1OC 253406182 ISZDCHAQPBCYAA-UHFFFAOYSA-N 363.377 2.879 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Br 182406148 GNYNYXLMNROKMB-UHFFFAOYSA-N 358.213 2.964 0 50 FFAA CNC[C@@H]1CCCN1C(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 299739013 JMKPAHSWAGLZOJ-INIZCTEOSA-N 357.502 2.772 0 50 FFAA CCn1cc(CNC(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)c(C)n1 534629992 XILSNEVQVIYSHP-OAHLLOKOSA-N 372.469 2.928 0 50 FFAA CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COCc1ccccc1 34294330 VBHDSMINHHDYGJ-HMDCTGQHSA-N 350.411 2.600 0 50 FFAA CC(=O)c1cc(CN2CCn3nc(CNc4cnccn4)cc3C2)cs1 299800412 VLIFQJDRVCWLSH-UHFFFAOYSA-N 368.466 2.565 0 50 FFAA CCc1oc(C(=O)NCc2cnc(SC)n2C)cc1CN1CCCC1 823570811 UKZSXYXZBYVQKN-UHFFFAOYSA-N 362.499 2.823 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)NC1(Cc2ccccc2C)CC1 584900492 DOKSRNOCHBAMLL-UHFFFAOYSA-N 356.470 2.662 0 50 FFAA CC(C)(C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1)N1CCOCC1 952992210 YNXGERCDXRNVMN-GOSISDBHSA-N 362.470 2.684 0 50 FFAA CCN1CCC[C@H]1C(=O)N[C@H](C)C(O)(c1ccccc1)c1ccccc1 952983404 DMQUMNHQJDZIIP-XLIONFOSSA-N 352.478 2.912 0 50 FFAA Cc1cc(F)cc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1 1565528985 MCGRUOHEIYKJMM-RXVVDRJESA-N 360.473 2.720 0 50 FFAA Cc1noc([C@@H]2CCCN(c3ccc(I)cn3)C2)n1 408216565 CHPHOTMUZKDPIH-SNVBAGLBSA-N 370.194 2.762 0 50 FFAA O=C1NCCN(C(=O)c2ccccc2)[C@@H]1c1ccc(OC(F)(F)F)cc1 190614161 JRVRYPZNNKZOQP-OAHLLOKOSA-N 364.323 2.899 0 50 FFAA Cc1nc(-c2c[nH]c(C(=O)NCc3ccnc(-n4ccnc4)c3)c2)cs1 194661079 IZJIDSSSOMFNNR-UHFFFAOYSA-N 364.434 2.957 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1CCCN(CC(F)(F)F)C1 195164828 NDAHMSFENNOMIA-HNNXBMFYSA-N 366.387 2.763 0 50 FFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCc1nc(C2CCCC2)no1 762177567 GSYVQIVXOCHQEY-MRXNPFEDSA-N 355.442 2.952 0 50 FFAA CN1CCC(C(=O)N2CC(C)(C)[C@@](O)(C3CC3)C2)(c2ccccc2)CC1 1616103767 MLQBMJFREZKUPQ-QFIPXVFZSA-N 356.510 2.660 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3scc4c3CCCC4)C[C@@H]12 1704339311 QPXXURIWZLANNT-BEFAXECRSA-N 362.495 2.638 0 50 FFAA O=C(c1c[nH]cn1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 11754039 ILKLBVFWJBOJKV-IBGZPJMESA-N 360.408 2.816 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3cccc(C)n3)C2)cc1 11821137 DWNUKPBAVWKBPU-LJQANCHMSA-N 367.493 2.970 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccccn1 11874042 LNCMIKCMWREOOG-GOSISDBHSA-N 361.405 2.511 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(NCc3cc(C)on3)nc2)CCN1C(C)C 12072623 RQAMYJNANLXHIC-GOSISDBHSA-N 371.485 2.935 0 50 FFAA Cc1c(C(=O)NC2CC2)sc2ncnc(NCCc3ccccn3)c12 12078033 WAMMWLWXZQAFMO-UHFFFAOYSA-N 353.451 2.942 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)CCc3scnc3C)CCO2)cc1 12299646 XETNGQNVBXLJRQ-KRWDZBQOSA-N 360.479 2.863 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCCCC1 12405983 FDJLSZSOSLFCOA-INIZCTEOSA-N 366.483 2.663 0 50 FFAA O=C(CCc1nc2ccccc2s1)N[C@@H]1CCCN(c2ncccn2)C1 12456297 ICWFWKDWXGCDEW-CQSZACIVSA-N 367.478 2.804 0 50 FFAA CCOC(=O)N1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 12593203 SJFQMQZJHZZEBR-INIZCTEOSA-N 351.491 2.521 0 50 FFAA Cc1cccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)c1 14733051 LJUDVLAEUIHUFQ-UFYCRDLUSA-N 369.509 2.523 0 50 FFAA CC(C)C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 14958088 COAJJAWWGVFWFC-LJQANCHMSA-N 350.409 2.962 0 50 FFAA O=C(Nc1nncs1)C1CCN(C(=O)c2ccccc2Cl)CC1 16647571 AQBKHUYEHQBOLZ-UHFFFAOYSA-N 350.831 2.682 0 50 FFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cc(CO)nn2)C1 19867011 UTZSZVSJLCSSOW-NSHDSACASA-N 369.252 2.630 0 50 FFAA O[C@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2)CC1 19957878 UHIAMVPZHAVSRX-NRFANRHFSA-N 352.478 2.737 0 50 FFAA CC(C)c1ccc(O[C@@H](C)C(=O)N2CCC(NC(=O)N(C)C)CC2)cc1 169895495 IURXCEVBNJEMND-HNNXBMFYSA-N 361.486 2.840 0 50 FFAA COc1cccc(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1 1857702575 DDUUQACNCDLUSW-NRFANRHFSA-N 352.434 2.945 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cncc(F)c3)[C@H]3CC[C@]2(C1)O3 1857727237 NNEMVEDSWNVDTB-QEUVDIPISA-N 373.472 2.786 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1875247355 TVFQDKAOGKJNRL-CAYVGHNUSA-N 352.434 2.724 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1875247357 TVFQDKAOGKJNRL-CWVNLOTRSA-N 352.434 2.724 0 50 FFAA CCCOc1c(Cl)cc(C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1OCC 225446216 HREOKRIQPWFSJC-GOSISDBHSA-N 368.861 2.865 0 50 FFAA COc1ccccc1CN1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1 328607780 XCCZKKZDPJYIJM-GOSISDBHSA-N 370.497 2.934 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 238090056 FGULFEMWQFQOKV-YUTCNCBUSA-N 353.365 2.551 0 50 FFAA O=C(NCc1cnc2n1CCCC2)[C@H]1CCCCN1C(=O)c1cccs1 375293933 VSOZCXCDKOKPMT-OAHLLOKOSA-N 372.494 2.592 0 50 FFAA C[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1 163751877 ZKVPMQMTJQUUEC-LBPRGKRZSA-N 374.890 2.809 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(CCc3ccc(O)cc3)C1)CC2 1704312019 JGZNDVQLYIFVJW-OAQYLSRUSA-N 352.482 2.771 0 50 FFAA O=C(NCc1nc(C(F)F)no1)NCc1cc2c(s1)CCSC2 1875271104 SYFJJWISGUXNHX-UHFFFAOYSA-N 360.411 2.857 0 50 FFAA Cn1ncc(NC(=O)NCCC(=O)NC2CCCC2)c1Cc1ccccc1 1875322983 QNQWYFMPDPXCRI-UHFFFAOYSA-N 369.469 2.581 0 50 FFAA Cc1cc(CNC[C@H]2OB(O)c3ccccc32)ccc1Oc1cccnc1 1875368794 PSZLUKWOPSUKDC-OAQYLSRUSA-N 360.222 2.731 0 50 FFAA COc1nscc1-c1nc(CO)nn1-c1cccc(C(F)(F)F)c1 1875336102 SESMIEJIWREEFB-UHFFFAOYSA-N 356.329 2.911 0 50 FFAA C[C@H](COc1ccccc1)n1nc(-c2nc[nH]n2)nc1C1CCOCC1 1875331012 LIRGCBZHQOCSOZ-CYBMUJFWSA-N 354.414 2.597 0 50 FFAA O=C(OCCc1cccc(Br)c1)c1cc2n(n1)C[C@@H](F)C2 1875322849 KJLMOQWAYZMCSB-LBPRGKRZSA-N 353.191 2.939 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2noc3c2CCCCC3)C1 888103050 BZUBEJMPJRMWEK-HIFRSBDPSA-N 358.442 2.886 0 50 FFAA CCN1C[C@H](COC(=O)c2cnc(-c3ccccc3Cl)nc2)CC1=O 845473363 DOBXDKRMNMRICL-GFCCVEGCSA-N 359.813 2.822 0 50 FFAA CN1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2C(=O)O)c2ccccc21 2325788458 HJWPLGHJPPXBGM-YQVWRLOYSA-N 350.418 2.519 0 50 FFAA CCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325866874 CNIFEJOSFWBNHE-ZIAGYGMSSA-N 358.442 2.940 0 50 FFAA Cc1cccc2c1S(=O)(=O)N(Cc1ccc(OC(F)F)cc1)C2=O 2325867164 NBZRWOAUJPKHGQ-UHFFFAOYSA-N 353.346 2.941 0 50 FFAA O=C(CC1CC1)NC[C@H]1CCCCN(C(=O)Cc2cc(C3CC3)on2)C1 2325868418 YYNRNTLHRSVHRI-OAHLLOKOSA-N 359.470 2.640 0 50 FFAA COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 1110038 OXWMYMHSHNAGDP-UHFFFAOYSA-N 355.394 2.812 0 50 FFAA CC(C)(C)C(=O)N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O 2863658 QPJOMWWCSAXXFS-AWEZNQCLSA-N 361.295 2.507 0 50 FFAA COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 3860825 BLGXFZZNTVWLAY-SCYLSFHTSA-N 354.450 2.647 0 50 FFAA biogenic,world CS(=O)(=O)N1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 6702646 VTEQYCXLWKUSFW-GOSISDBHSA-N 372.490 2.564 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N[C@H]1CCCC[C@H]1C 247996459 PVSUFLPMJMNERZ-FYOSVXEVSA-N 363.498 2.944 0 50 FFAA COc1cccc(Nc2nc(N)nc(CSc3nnc(C)s3)n2)c1 9303716 UKYBPARZWXSLBC-UHFFFAOYSA-N 361.456 2.658 0 50 FFAA CC(=O)O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 23550223 JXOFOOAZYUUFHE-DIGXMAGLSA-N 365.514 2.873 0 50 FFAA CN1CCN(Cc2cnc(-c3cccc4ccccc34)nc2)C[C@H]1CCO 104449987 UFZBZIIEKONSOC-LJQANCHMSA-N 362.477 2.795 0 50 FFAA Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 20419134 YJYWYADEWMMDLY-SFHVURJKSA-N 371.506 2.942 0 50 FFAA CC(C)=CCN1CCN(Cc2cccn2-c2nccs2)C[C@H]1CCO 104440945 BFXRIVYLTBLINE-QGZVFWFLSA-N 360.527 2.769 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCN(C)[C@H](CC)C3)nc2)n1 20540471 LPNSRIYGIUQGSB-MRXNPFEDSA-N 373.526 2.561 0 50 FFAA CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCN2CCCO2)s1 23398197 NIAMPGGDKAYYDB-AWEZNQCLSA-N 365.499 2.579 0 50 FFAA O=C(CN1CCOc2ccccc2C1)NCc1cn[nH]c1-c1cccs1 67713178 QWBBZDAWRXBJJF-UHFFFAOYSA-N 368.462 2.649 0 50 FFAA Cn1cnnc1Sc1ccc([C@@H]2CC(=O)Nc3cc4[nH]ncc4cc32)o1 67840988 RLQYICNPYWNSQE-LLVKDONJSA-N 366.406 2.910 0 50 FFAA CCN(C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1)C(C)C 67894998 JYAUWANTZSENIM-UHFFFAOYSA-N 355.398 2.705 0 50 FFAA Cn1c([C@@H]2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)nc2ccccc21 68004147 GBSXNDDCOGKJBC-HNNXBMFYSA-N 356.813 2.892 0 50 FFAA COc1ccc(C2(C(=O)N3CCC(=O)N(CC4CC4)CC3)CCCC2)cc1 20534659 GZWODFIFLATQDR-UHFFFAOYSA-N 370.493 2.978 0 50 FFAA O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1 136145378 ZPNBSORIHXXCEK-CQSZACIVSA-N 355.365 2.994 0 50 FFAA CCn1c(C2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)nn(C)c1=O 67883667 LVUUMAGMNFMNOW-UHFFFAOYSA-N 370.497 2.557 0 50 FFAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 1401375 WACRFLAKSPAKGP-SNVBAGLBSA-N 356.806 2.785 0 50 FFAA O=C(NC1=NN=C(c2ccc(Br)cc2)CS1)C(F)(F)F 1428759 VBQQAUCTQOSDHS-UHFFFAOYSA-N 366.162 2.935 0 50 FFAA COc1cc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1427875 CNBNAUWYKAXIPU-ZDUSSCGKSA-N 351.358 2.694 0 50 FFAA COc1ccccc1-c1cc(C(=O)O)cc(S(=O)(=O)N2CCCC2)c1 71638840 AGYCFNUXWUPMCV-UHFFFAOYSA-N 361.419 2.845 0 50 FFAA O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1n[nH]c2c1CCC2 72468715 FSAIVEXRTDZDAL-LBPRGKRZSA-N 367.478 2.907 0 50 FFAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN([C@H]2CCCNC2)CC1 72422038 JCNTUGDFUJCWNI-SFHVURJKSA-N 354.450 2.890 0 50 FFAA COc1cccc(C2(NC(=O)c3cccc4c3O[C@@H](C)C(=O)N4)CC2)c1 122606351 JGXFTEKKWVPIPE-LBPRGKRZSA-N 352.390 2.834 0 50 FFAA O=C1CN(C(=O)c2ccc(Cl)cc2O)CCN1Cc1ccccc1F 77407806 MCBISHCHPWBBFM-UHFFFAOYSA-N 362.788 2.669 0 50 FFAA CC(C)c1ccc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c(=O)[nH]1 72420026 AFOWQIKUDXNIED-UHFFFAOYSA-N 350.422 2.956 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3CCOC[C@H]3c3c(C)n[nH]c3C)cc2)o1 328959724 KDYRSOLVPVTBGJ-INIZCTEOSA-N 367.409 2.599 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCN(C4CCOCC4)CC3)c2c1 77487463 WVBWQODEFOZDAC-UHFFFAOYSA-N 353.466 2.788 0 50 FFAA Cc1cccc(O[C@H](C(=O)N2CCc3c(ncnc3N(C)C)C2)C(C)C)c1 71735597 TZYREWOIZYSWAO-IBGZPJMESA-N 368.481 2.839 0 50 FFAA O=C(NCCCn1cccn1)c1cnc(-c2ccc3c(c2)OCO3)s1 482578799 ZIXPWLDQMMITQB-UHFFFAOYSA-N 356.407 2.555 0 50 FFAA CN1CCC(C2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)CC1 72159104 QEEXSYBVIYMQGY-HXUWFJFHSA-N 373.545 2.621 0 50 FFAA COc1ccc(CCC2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)cc1 331642401 PPTGSNICQDYTQC-IBGZPJMESA-N 367.511 2.849 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)nc1)N1CCCC[C@@H]1CCn1cccn1 71761182 OWXWGOYTCNVZNY-MRXNPFEDSA-N 350.426 2.753 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)cn1 332341217 QVGAIGNQIPVJFB-LLVKDONJSA-N 354.332 2.852 0 50 FFAA C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1 156970068 DFDAITOPBDQZRZ-GJZGRUSLSA-N 352.500 2.651 0 50 FFAA O=C(NS(=O)(=O)CCCC(F)(F)F)[C@H]1CSc2ccccc21 157044660 IVUAZHDATXXFAG-JTQLQIEISA-N 353.387 2.664 0 50 FFAA COc1cccc(CC[C@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)c1 71576065 IITVLDQIZARFOM-QGZVFWFLSA-N 356.470 2.926 0 50 FFAA CCc1nc2c(N3CCC[C@@]4(CCC(=O)N(C(C)C)C4)C3)ncnc2o1 77287657 NJCZGXJEJOYZTH-LJQANCHMSA-N 357.458 2.798 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 72458576 ILPPVVFEBQQQCP-AWEZNQCLSA-N 366.421 2.898 0 50 FFAA O=C(NCc1nccc(C(F)F)n1)[C@@H](c1ccccc1)N1CCCCC1=O 288759531 ZXSKZKWNYZWISS-QGZVFWFLSA-N 374.391 2.784 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3noc(-c4ccccc4)n3)C2)no1 426575083 VWNOPKDGYDTHOH-CQSZACIVSA-N 368.397 2.517 0 50 FFAA CN1C(=O)COc2ccc(C(=O)N3CCCC[C@H]3c3nccs3)cc21 426477522 GLXFEZBKURSUPT-ZDUSSCGKSA-N 357.435 2.866 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NC1CCN(C3CCOCC3)CC1)n2C 426402053 UHGAAMBHOFUUPI-UHFFFAOYSA-N 371.481 2.560 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 95531735 GXUIDGLIQTXBEJ-UHFFFAOYSA-N 368.481 2.818 0 50 FFAA Cc1ccc([C@H](C(=O)NCC2(O)C3CC4CC(C3)CC2C4)N(C)C)cc1 92036996 XSCJASZHRADVJL-KAUDZBRASA-N 356.510 2.901 0 50 FFAA Cc1c([C@H](C)NC(=O)c2cnc[nH]c2=O)cnn1-c1cccc2ccccc12 91350827 VNLYVPUFJIAYHO-ZDUSSCGKSA-N 373.416 2.908 0 50 FFAA Cc1c([C@H](C)NC(=O)C2(C(N)=O)CC2)cnn1-c1cccc2ccccc12 91434327 SPEAZPBECYPUFL-ZDUSSCGKSA-N 362.433 2.777 0 50 FFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cncnc2C)cc1 97527293 BRESOGFIKIHBHR-SFHVURJKSA-N 355.438 2.658 0 50 FFAA CCn1c(C)ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1=O 91519012 QQKLNYJYAYHVKX-QZTJIDSGSA-N 357.498 2.513 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 237588888 DNRDSFMDDPLLMW-GXSJLCMTSA-N 364.799 2.894 0 50 FFAA Cn1cncc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 95501931 HABRBTFJBZLBDD-RBUKOAKNSA-N 352.482 2.589 0 50 FFAA CS(=O)(=O)c1ccccc1N1CCC[C@](CO)(Cc2ccccc2)C1 292391899 QWZFCCYPKLDQKT-FQEVSTJZSA-N 359.491 2.912 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCc1csc(-c2ncccn2)n1 95503428 IUMOMHHYLZCQMF-LBPRGKRZSA-N 356.455 2.797 0 50 FFAA Cc1nccn1CC1CCN(C(=O)Nc2ccc(-n3cncn3)cc2)CC1 95525758 PADGYYRWDRFOFE-UHFFFAOYSA-N 365.441 2.716 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCOc3ccccc3C2)C1 95528046 SYCBBRILWNEIHS-GOSISDBHSA-N 368.481 2.504 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccccc2-c2nc[nH]n2)cnn1-c1ccccn1 92028920 YJQZENFUCQKSFP-ZDUSSCGKSA-N 373.420 2.852 0 50 FFAA Cc1nnsc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 244701152 KBDGRDKAOTWOBN-UHFFFAOYSA-N 356.495 2.643 0 50 FFAA CC(=O)N[C@H]1C[C@H](c2nnc(COc3cccc4c3CCCC4)n2C)C1 244734305 NDBMFHVZJNFWON-WKILWMFISA-N 354.454 2.655 0 50 FFAA CN1C(=O)C[C@@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 248070123 XFEAIIKOUMBXPN-WIYYLYMNSA-N 359.429 2.873 0 50 FFAA biogenic Cc1cnc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)s1 180417317 GEUFPBSECYHFCL-UHFFFAOYSA-N 358.511 2.825 0 50 FFAA Cc1nccnc1CCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C 296585916 WNTOIRMDVUCPNN-UHFFFAOYSA-N 367.453 2.694 0 50 FFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc2ccccc2c(=O)c1O 253412503 REOZKRLSNDNDPM-ZDUSSCGKSA-N 370.357 2.908 0 50 FFAA biogenic COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)[C@@H]1CC=CCC1)CC2 299742045 GMYDEYVOPCBYEE-CZUORRHYSA-N 359.422 2.961 0 50 FFAA Cc1ccc(-c2noc(CNC(=O)N(C)CCn3nc(C)cc3C)n2)cc1 534648395 RAJAPGZUJQJYSG-UHFFFAOYSA-N 368.441 2.700 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3cccc(Cl)c3F)C2)n[nH]1 534578215 WRAALLQZDQAZMD-GFCCVEGCSA-N 351.813 2.995 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)n2)cc1 102023545 VTOXSNWBJMKDDN-LAQRGFTBSA-N 351.406 2.701 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(c2ccnc4ccccc24)C3)nc1 299765581 APDCVIWCUCJMMY-UHFFFAOYSA-N 357.421 2.854 0 50 FFAA COc1ccc(Cl)cc1NC(=O)NCc1noc([C@H]2CCCO2)n1 299761088 RATDLXBCTHLIAG-GFCCVEGCSA-N 352.778 2.905 0 50 FFAA Cc1cc(-c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)c(O)nn1 584889505 IJBKYBJYQPLELN-QGZVFWFLSA-N 366.421 2.783 0 50 FFAA CN1CCN(c2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc2)CC1 952979405 NYNLXRVSQLMHPL-NRFANRHFSA-N 365.477 2.652 0 50 FFAA CC(C)c1nnc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)o1 1565507918 HBMDFHPOYMUCQQ-RDJZCZTQSA-N 354.454 2.930 0 50 FFAA O=C(Cc1ccc(F)cc1F)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565528706 DLGJNXCLVACHRU-OALUTQOASA-N 361.388 2.998 0 50 FFAA CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 408503066 UUBSRAGASAXONE-CQSZACIVSA-N 362.451 2.513 0 50 FFAA Cc1cn2nc(N3CCN(c4cncc5ccccc45)CC3)sc2n1 170619674 FMPIBMWRWXRCOY-UHFFFAOYSA-N 350.451 2.974 0 50 FFAA Cn1ncc2c(SC[C@@H]3CN(Cc4ccccc4)CCCO3)ncnc21 170617576 AINURXQSXALHPL-INIZCTEOSA-N 369.494 2.747 0 50 FFAA Cc1noc2ncc(C(=O)N[C@@H]3CNCC[C@@H]3c3ccc(F)c(F)c3)cc12 189002621 GTYSSAMVOLMGNW-CXAGYDPISA-N 372.375 2.685 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 190465488 LXWRNYMNYGYQCH-INIZCTEOSA-N 358.511 2.504 0 50 FFAA O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCO[C@@H](C(F)F)C1 194134540 VHCMAWRYWSTTSE-CYBMUJFWSA-N 356.369 2.984 0 50 FFAA Cc1cc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc(C)n1 1615736545 INGMQLSQHWDSNG-PMACEKPBSA-N 351.450 2.596 0 50 FFAA COc1cccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1OC 1616085282 VUEWOYWFIUDJJS-PMACEKPBSA-N 368.477 2.962 0 50 FFAA CCCc1nc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cs1 210392111 XFDCXFXPYRJWLP-HIFRSBDPSA-N 374.462 2.815 0 50 FFAA O=C(C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCCCC1 11662890 HJERHJWWWHBLBR-UHFFFAOYSA-N 354.454 2.961 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNCc1ccccc1 11934231 QGKLTUMGWSEXQY-FQEVSTJZSA-N 360.404 2.608 0 50 FFAA CCCS(=O)(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 12581145 OHFWXPPAJAFBBN-GOSISDBHSA-N 356.532 2.621 0 50 FFAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1 12596106 HDBIBRHVQBNEBX-CQSZACIVSA-N 367.453 2.840 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 12711793 MXFGGUSVCMYSBN-JOCHJYFZSA-N 372.509 2.936 0 50 FFAA COC1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 14964889 NGHWFGOESCRQLN-OAHLLOKOSA-N 364.873 2.716 0 50 FFAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCN3CCC[C@H]3C2)no1 15063535 VYJNXDBYXHVJGP-INIZCTEOSA-N 355.438 2.791 0 50 FFAA CCCn1ncc(C(=O)N2CCO[C@@H](Cc3cccc(OC)c3)C2)c1C 15067255 GMNFECFTXPMHJX-SFHVURJKSA-N 357.454 2.694 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)[C@H]1CC(=O)N(C)c2ccccc21 1857674321 DDSXDUMDOAYZFS-INIZCTEOSA-N 362.433 2.645 0 50 FFAA COc1ccc(-c2nc(CNC(=O)c3ccncc3F)c(C)o2)cc1O 1857676044 BSIVUSKUKJDHPT-UHFFFAOYSA-N 357.341 2.828 0 50 FFAA Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)c2cc(C(C)C)on2)cs1 1857681505 LOYZNNANDIJJKW-GJZGRUSLSA-N 374.466 2.579 0 50 FFAA COc1ccc2cc(-c3nccn3CCCN3CCCC3=O)c(O)nc2c1 1857703370 JQHUGCHAGOIBCS-UHFFFAOYSA-N 366.421 2.825 0 50 FFAA Cc1cc(-n2cccn2)ccc1-c1nccn1CC1(CO)CCOCC1 1857727024 IQFBZNNWKDWXBI-UHFFFAOYSA-N 352.438 2.833 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3cc(C)c(OC)cc3C)C[C@]23CC[C@H]1O3 1857739855 WDDVEKLYCJVFHE-JZJXAQOMSA-N 372.509 2.818 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N2CCN(Cc3cccc(C)c3)CC2)CC[C@H]1N 1875248240 FQJUSTRLENUERT-PWRODBHTSA-N 373.541 2.562 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](C)CC(=O)N1CCCCCC1 328656544 ZLNOELCPIKANFT-ABSDTBQOSA-N 362.518 2.751 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)ccc2O1 328864888 WFYJHYURISLDSG-PKOBYXMFSA-N 363.479 2.732 0 50 FFAA COc1ccc2[nH]cc(CC(=O)Nc3cnn(C[C@H]4CCCO4)c3)c2c1 363399185 URJQOQDWIDOBOY-MRXNPFEDSA-N 354.410 2.733 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)cc1 819757498 YZMCYBGXIHBVNA-HXUWFJFHSA-N 368.477 2.910 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)C2CCOCC2)(c2ccccc2)CC1 847580318 KIGAQJAIMCEJOG-KRWDZBQOSA-N 370.493 2.664 0 50 FFAA COC(=O)[C@@H]1C[C@H](C)CN(C(=O)NCCc2ccc3ncccc3c2)C1 1875301018 AHYMOAIGEYBLQS-WMLDXEAASA-N 355.438 2.618 0 50 FFAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)C34CCC(CC3)C4)CC1)O2 1875394808 XKHYDQIIIKPISI-HVEKOLDVSA-N 359.470 2.660 0 50 FFAA COCCC(=O)NCC[C@H]1CCCCN1c1nc(C)cc(C(F)(F)F)n1 1875303315 MZMUXFQNJMASIP-CYBMUJFWSA-N 374.407 2.706 0 50 FFAA O=C(c1cccc(C2CC2)c1)N1CC2(C1)CN(c1ncncc1Cl)C2 1875406797 MHNMNBIACGYVMT-UHFFFAOYSA-N 354.841 2.970 0 50 FFAA O=C(COc1cc(Cl)ccc1Cl)N[C@]1(c2ncc[nH]2)CCOC1 886093469 WOCPLKXUGPLTMP-OAHLLOKOSA-N 356.209 2.527 0 50 FFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(Br)c2)C1 379251969 CNSDBENDYXUZTF-GHMZBOCLSA-N 351.166 2.943 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 786209 GIRJNNMTMKKRBW-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA CCc1cc(S(=O)(=O)N(C)c2nncs2)ccc1Br 2325777355 ZCTQZEVLWHIGPB-UHFFFAOYSA-N 362.274 2.688 0 50 FFAA Cc1cnn(-c2ccc(NC(=O)c3cc([C@H]4CCCN4)[nH]n3)cc2F)c1 2325797733 PBUBHMNWKCTOJH-CQSZACIVSA-N 354.389 2.720 0 50 FFAA COC[C@]1(NCc2coc(-c3ccc(Br)cc3)n2)CCNC1 2325799807 YWOZUZYGNUSLPW-INIZCTEOSA-N 366.259 2.572 0 50 FFAA c1cc(N2CCC[C@H](Cc3nccs3)C2)nc(N[C@H]2CCCNC2)n1 2325800619 XZUUOUJAJBBCAZ-CABCVRRESA-N 358.515 2.556 0 50 FFAA CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1CC(=O)Nc1c[nH]nc1O 2325839589 YMHRWXKZVNXDID-LBPRGKRZSA-N 358.398 2.810 0 50 FFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@](C)(CNC(C)=O)CC1(C)C 2325849632 VTXYEVPJFUXJAT-CSODHUTKSA-N 358.482 2.952 0 50 FFAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 658379 VHGZLHHBLTWNDE-UHFFFAOYSA-N 358.825 2.994 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1 754036 RGQRYDCBPDEQSA-UHFFFAOYSA-N 357.439 2.697 0 50 FFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 811943 BPIFQFWNMAOXAF-UHFFFAOYSA-N 373.478 2.546 0 50 FFAA CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 1111459 NMFLQFDQVCJYKE-UHFFFAOYSA-N 374.796 2.877 0 50 FFAA COc1cc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)c(=N)[nH]c1C 2356148870 XRGMZQPTVLGQNX-UHFFFAOYSA-N 368.481 2.694 0 50 FFAA CCCC(=O)N[C@@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl 2620762 PSHZLBVFNQTHPM-LBPRGKRZSA-N 353.633 2.777 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356163050 QIJZGRMDLGOEGY-LRXVAGHRSA-N 367.493 2.982 0 50 FFAA Cc1cc(C)c(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c(C)c1 2884431 LYMFRBIZGHZFCS-UHFFFAOYSA-N 365.543 2.855 0 50 FFAA COc1ccc(OCC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 4513080 YRGCVGZBCYFWBU-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3ccccc3F)CC1)OC2=O 4622811 DWOIYLJKOVQZHN-UXHICEINSA-N 360.429 2.596 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCN(c2ncccc2Cl)CC1 50629211 YBTNHPLXMVAPHN-UHFFFAOYSA-N 355.829 2.503 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)ccc1O 104344954 FBYZMDTUOFUBCH-HXUWFJFHSA-N 370.493 2.778 0 50 FFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@@H](NCc1ccc3c(c1)OCO3)C2 67872572 CVHUVYIAEBSIAV-CQSZACIVSA-N 371.437 2.613 0 50 FFAA COCc1ccc(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)o1 67805692 CBEMGSYISYHEFU-UHFFFAOYSA-N 355.369 2.966 0 50 FFAA CCc1nnsc1C(=O)N1CCc2[nH]nc(-c3cccc(OC)c3)c2C1 67690779 VYWWRXLKRBMWNH-UHFFFAOYSA-N 369.450 2.698 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@@H]1CCO 22851316 XZVZHKFGQOWJKD-QFIPXVFZSA-N 370.541 2.985 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCN(c2ccccc2O)CC1 118758011 MFHBQONCWHDOGQ-UHFFFAOYSA-N 355.419 2.785 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 252005719 XPBCFZRKHIMRFR-GDBMZVCRSA-N 358.511 2.931 0 50 FFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO 252477405 NGFYISOJHIRCQV-UAGQMJEPSA-N 366.889 2.555 0 50 FFAA O=C(OC[C@@H]1CO[C@@H](c2coc3ccccc3c2=O)O1)c1ccccc1O 4783891 DZTCQOVWNUHUJE-MPBGBICISA-N 368.341 2.770 0 50 FFAA O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCCn2cncc2C1 72160994 QMOQWVBWAIEKBT-UHFFFAOYSA-N 360.464 2.601 0 50 FFAA O=C(CCC(=O)c1csc2ccccc12)NS(=O)(=O)c1cccnc1 119797249 RTETTZIVWGZFMA-UHFFFAOYSA-N 374.443 2.764 0 50 FFAA CCN1CCN(c2nc3cc(OC)ccc3cc2CN[C@@H](C)COC)CC1 11976709 GTZRBOTZICNGGX-INIZCTEOSA-N 372.513 2.510 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2c(C)c(C)c(C)[nH]c2=O)[C@@H](C)C1 72477692 FUUKTRWIVIMSTJ-ZDUSSCGKSA-N 369.465 2.660 0 50 FFAA CN(C)c1ccc(N(C(=O)NCC(=O)O)c2ccc(N(C)C)cc2)cc1 34344695 XWGFMKLIWWTPDP-UHFFFAOYSA-N 356.426 2.751 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)CCO1 328633682 STRAFGSAYCQWHR-QFBILLFUSA-N 373.478 2.547 0 50 FFAA CNC(=O)c1ccc(CNc2nc(C3CCCC3)nc3c2cnn3C)o1 72165910 XGQCHTSPJDRGCK-UHFFFAOYSA-N 354.414 2.586 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cccc(C(=N)O)c2)n1C 328632553 LKDMFJGUMLVLRP-KRWDZBQOSA-N 354.454 2.995 0 50 FFAA Cc1cc2ncn(C[C@H](O)CN3CC[C@H](Oc4cccnc4)C3)c2cc1C 152268158 QKNIUMNCZJVGQY-MJGOQNOKSA-N 366.465 2.562 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC([C@@]2(C)N=C(O)N=C2O)CC1 329824203 HTERHMLJGDZCCF-FRIZHTMISA-N 365.474 2.853 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2cnc(N(C)C)nc2C)[C@H](C)C1 77284966 AQOIQQYJAPGOTH-OAHLLOKOSA-N 353.470 2.510 0 50 FFAA O=C1CC[C@H]2CN(C/C=C/c3ccccc3)CC[C@H]2N1CCc1c[nH]cn1 72463264 ACGDUCMUJCEWDJ-ZJXRNUBLSA-N 364.493 2.979 0 50 FFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC(OCc2cccnc2)CC1 77379568 APTFMEWIRLAGAD-UHFFFAOYSA-N 363.417 2.745 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCOC[C@@H](CO)C2)cc1F 77470279 XOVYLWQMJIANPG-QGZVFWFLSA-N 357.425 2.806 0 50 FFAA O=C(c1ccc(CO)o1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72470087 QVGPWJAXVWBCJT-UHFFFAOYSA-N 369.339 2.915 0 50 FFAA COc1cc2ncn(Cc3cc(F)c(F)c(F)c3)c(=O)c2cc1OC 32590309 SAPFRTUHEXHKDB-UHFFFAOYSA-N 350.296 2.879 0 50 FFAA CCC1CCC(NC(=O)c2cc(OC)c(OC)cc2F)(C(=O)O)CC1 262055352 AOYADQOEYNHABR-UHFFFAOYSA-N 353.390 2.996 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1C(=O)O 262694953 AZCBUWZYRWKUJE-CQSZACIVSA-N 359.426 2.560 0 50 FFAA CCN1C[C@@]2(CCCN(c3nc4ccccc4cc3CO)C2)CCC1=O 72436347 OXYNHIRZYWHMMP-OAQYLSRUSA-N 353.466 2.956 0 50 FFAA Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)nnn1C 333935200 JGQSHIXMCCIJIC-IKGGRYGDSA-N 367.453 2.536 0 50 FFAA O=C(NCc1ccsc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 46028173 FONZSUPPNUMANJ-UHFFFAOYSA-N 359.451 2.504 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(C)C[C@H]1c1ccccc1 239439108 ZLEARKKXSVWOIM-KRWDZBQOSA-N 360.479 2.681 0 50 FFAA COC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C 17074498 IKAAJPZZSMPWFG-UHFFFAOYSA-N 362.238 2.966 0 50 FFAA Cc1nnc(SCC(=O)NCc2cn3c(C)c(C)sc3n2)s1 199409877 IYMYRVVEMXWCPC-UHFFFAOYSA-N 353.498 2.581 0 50 FFAA Cc1ncsc1CCCNC(=O)N1CCC([C@H](O)c2ccccn2)CC1 426667668 VZIUAZYUKBVQQM-SFHVURJKSA-N 374.510 2.934 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2cccc(CN(C)C)c2)n1 48080994 ZYDQSJIHMRETMJ-UHFFFAOYSA-N 350.470 2.884 0 50 FFAA Cc1cc(N2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)ncn1 82135233 VDTZCDKREKIEOX-UHFFFAOYSA-N 353.422 2.776 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)CSc1ccc(Cl)cc1)CC2 91914678 IBVQGMQNPKLNBE-CABCVRRESA-N 355.887 2.821 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCn1c(C)cc3ccccc31)C2 95363033 NZGYSXWTLFMMRJ-UYAOXDASSA-N 369.509 2.909 0 50 FFAA CN1CCC(CNC(=O)N2CCC(c3ccccc3)CC2)(N(C)C)CC1 426649614 KFVFFQMNROXWLK-UHFFFAOYSA-N 358.530 2.602 0 50 FFAA COCCN1C[C@@H](CNC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O 91585937 SLUMKURUUOIBFW-LLVKDONJSA-N 359.253 2.527 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)CC[C@@H]3CCOC3)CC2)cc1 177720027 CBTZUZDTOQRCCV-MRXNPFEDSA-N 374.481 2.623 0 50 FFAA CN1CCN2CCN(Cc3ccc(-c4ccc(Cl)cc4)cc3)C[C@@H]2C1=O 97610062 OYCZDIWCSYXEDS-HXUWFJFHSA-N 369.896 2.965 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 178266873 ICEWSQYTOONLKD-YVZNUBBCSA-N 356.353 2.959 0 50 FFAA CN1CSC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 95359635 SJRNAPPFOUHEMC-AWEZNQCLSA-N 360.310 2.647 0 50 FFAA COc1cc2c(cc1NC(=O)NCCCN1CCc3ccccc31)OCO2 96152292 CYLCVPDBSFKYTN-UHFFFAOYSA-N 369.421 2.998 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(N)=O)c2)n1 97463452 ICHSUUVBYDKYOL-ZDUSSCGKSA-N 361.377 2.800 0 50 FFAA CCOc1ccc2ccccc2c1[C@@H](C(=O)O)N1CCC(C(N)=O)CC1 95374452 QZGYGCLKJLHLJA-SFHVURJKSA-N 356.422 2.562 0 50 FFAA Cc1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n(C)n1 91780261 OAFVPAGSEMHTGN-MRXNPFEDSA-N 354.454 2.521 0 50 FFAA Cc1c(C(=O)NC[C@@H]2CCCN2)nnn1-c1ccc(-c2ccccc2)cc1 178762813 WRQOHSWSECJTAZ-SFHVURJKSA-N 361.449 2.725 0 50 FFAA Cc1ncc(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)c(C(C)C)n1 178870065 GAIOUSSWLUQAFU-UHFFFAOYSA-N 359.499 2.944 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(-c2cn[nH]c2)c1 97474913 GGSMEZHRSBRRIC-UHFFFAOYSA-N 368.481 2.842 0 50 FFAA CC[C@@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)n1cccn1 91616507 SSJUUZQEZISMKW-INIZCTEOSA-N 356.474 2.558 0 50 FFAA O=C(Nc1ccccc1N1CCOC1=O)N1CCC[C@H](c2cc[nH]n2)C1 95528477 RUNLRSCIOIIDJP-ZDUSSCGKSA-N 355.398 2.778 0 50 FFAA COc1nc2c(cc1C(=O)NCc1csc(N3CCCC3)n1)CCC2 91595974 DJGJCIUAROWCJH-UHFFFAOYSA-N 358.467 2.566 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1(N2CCCC2)CCCC1 244701261 KDCQBOAWMRJAOS-UFYCRDLUSA-N 356.510 2.893 0 50 FFAA O=S(=O)(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(Cl)c1 252551372 UDHBQXASFBXHFO-RBOXIYTFSA-N 352.843 2.526 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cccc3c2OCCO3)c1C 252480627 CBNFUNHNUMRWAB-UHFFFAOYSA-N 373.453 2.580 0 50 FFAA C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(F)F)CC2(CCOCC2)O1 296744386 LYLOICSTJSXOGA-HIFRSBDPSA-N 354.397 2.972 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H](CN)C1 299740019 USIKLWYVHKCZFE-ZJUUUORDSA-N 361.667 2.677 0 50 FFAA C[C@H](NC(=O)CN1CCCCCCC1)c1ccc(S(C)(=O)=O)cc1 534646662 GMEFWFCYQFRCLJ-HNNXBMFYSA-N 352.500 2.533 0 50 FFAA O=C(NCc1cccnc1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263618514 UDQBNUPCUUFGFY-MRXNPFEDSA-N 369.812 2.528 0 50 FFAA Cc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263615697 DSCAWYXYEJTDJH-GOSISDBHSA-N 366.396 2.927 0 50 FFAA Cc1cc(C)n(CCNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)c(=O)n1 825132049 PYEJFXGYWQQIOB-UHFFFAOYSA-N 364.449 2.650 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@H](Cc1cnc[nH]1)n1cccc1 670447606 DQSNANGRXBRKRL-FQEVSTJZSA-N 363.465 2.564 0 50 FFAA Fc1cc(C(F)(F)F)ccc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076115348 IVBNVKGJDFVKOL-CABCVRRESA-N 356.323 2.782 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(O)nc1C 1565526737 YKTNDDASCAJCCT-ROUUACIJSA-N 356.422 2.508 0 50 FFAA N[C@H]1CCN(Cc2cccc(OCc3c(F)cccc3Cl)c2)C[C@@H]1O 1565525352 PMYZLLCNBDELHW-OALUTQOASA-N 364.848 2.952 0 50 FFAA CCc1ccc([C@@H](CNc2ncnc(-n3cccn3)c2N)N(C)C)cc1 170665829 GQSYAOMTFXAGBA-MRXNPFEDSA-N 351.458 2.522 0 50 FFAA Cc1c(-c2cc(CN3CCn4c(C(C)C)nnc4[C@@H]3C)on2)cnn1C 189581994 HGOZQWAZAAFUAX-ZDUSSCGKSA-N 355.446 2.675 0 50 FFAA Cc1cc2ncn(C[C@@H](O)CN3CCC(c4ccn[nH]4)CC3)c2cc1C 195507190 WYUWLPXGYYRKEZ-KRWDZBQOSA-N 353.470 2.617 0 50 FFAA CN(C)C(=O)c1cccc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n1 1529133190 GCJXAZQUPNLORA-INIZCTEOSA-N 354.454 2.566 0 50 FFAA O=C(CC(F)(F)F)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11879685 LGTUYRLAHTUYSM-SNVBAGLBSA-N 368.277 2.875 0 50 FFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccc2nccnc2c1 12442945 RJQQZCVCFTWMKS-IBGZPJMESA-N 372.472 2.991 0 50 FFAA O=C(c1ccccn1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12590987 YIQBDTDGWNHIBM-NRFANRHFSA-N 367.424 2.876 0 50 FFAA CCOC(=O)[C@@H]1OC2(O[C@H]1C(=O)OCC)c1ccccc1-c1ccccc12 169454038 UPMROZOSXABACL-QZTJIDSGSA-N 368.385 2.778 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 220100202 JKZXFJQSXOSUAC-VWKPWSFCSA-N 353.466 2.850 0 50 FFAA CC(C)c1ccc(CCCC(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)cc1 1857683194 FQUCBDHTLBSXAQ-DENIHFKCSA-N 372.509 2.622 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)O1 1857698359 NEWKCBMFNSVBGR-QZTJIDSGSA-N 360.498 2.706 0 50 FFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 225505302 PLRPLMGRDMMKGD-OAHLLOKOSA-N 358.448 2.802 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 238089289 XZGWVBRMUXGQIH-NWANDNLSSA-N 353.365 2.551 0 50 FFAA CCCNC(=O)[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 241942327 ULPBVGQYEYPYAF-CQSZACIVSA-N 362.424 2.889 0 50 FFAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[C@H](N)C1 150797805 QJRCFHHIEAUGDY-MNOVXSKESA-N 358.269 2.908 0 50 FFAA O=C(c1ccc(N2CCCC2)nn1)N1CCN[C@@H](c2cccc(Cl)c2)C1 374914824 QESQUFMBNWDGHD-QGZVFWFLSA-N 371.872 2.517 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5ccc(N6C[C@H]7CC[C@H]6C7)cc5)[C@@H]4[C@H]3[C@@H]12 800554451 SYRGZOPAUDTFFV-XFQNHVNSSA-N 360.457 2.941 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H]1CC[C@H](N)c2ccccc21 1875287346 GJHIGKDCHQBZOM-KGLIPLIRSA-N 368.462 2.933 0 50 FFAA CC1(C)CN(C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)Cc2c[nH]nc21 1875285855 CXTNTVICJMCFNG-ZDUSSCGKSA-N 353.344 2.782 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N3CC[C@@H](CO)[C@@H](c4ccccc4)C3)c2C1 1875308687 RUELCFHRBINUDE-UWWQBHOKSA-N 353.466 2.773 0 50 FFAA NC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)[C@@H]2C1 1875323333 FHBPYCHCNPHQLO-FTUHBYGFSA-N 367.371 2.608 0 50 FFAA Cc1ccc2nnc(CNC(=O)N3Cc4ccccc4O[C@@H](C)C3)n2c1 1875306083 RWWXDARCHDFTQR-AWEZNQCLSA-N 351.410 2.530 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2ncc(C(F)(F)F)[nH]2)cc1 1875374035 YDRZFUAHKOWBTL-UHFFFAOYSA-N 352.316 2.507 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cc3ccccc3o2)[C@@H]1c1cncn1C 886028001 MWQOMUNPIMTEJJ-HNAYVOBHSA-N 352.438 2.979 0 50 FFAA CO[C@H]1Cc2ccccc2N(C(=O)c2cn(C)nc2C2CCOCC2)C1 886078152 OAEXOUDPLVMEQL-INIZCTEOSA-N 355.438 2.532 0 50 FFAA O=C(O)c1cccc(CC(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 887557297 HKGWCNIZTHOEHN-BGYRXZFFSA-N 364.445 2.518 0 50 FFAA C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@@H]1CCCc2ccccc21 888101754 SBLXRMBSYZBYQG-SRABZTEZSA-N 364.511 2.760 0 50 FFAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1ccccc1F 4708476 TVVRPFGMXGBTRE-GFCCVEGCSA-N 362.364 2.799 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(N2CC[C@@H](O)C2)cc1 2325805202 XRPYHXDCSXOQDK-GOSISDBHSA-N 372.852 2.567 0 50 FFAA O=S(=O)(Nc1cccc2nn[nH]c12)c1ccc(F)cc1C(F)(F)F 2325841482 WUKKWAYKGDVQLV-UHFFFAOYSA-N 360.292 2.917 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1C 2325843220 ZEXQZTOQDKZDGH-MRXNPFEDSA-N 354.454 2.794 0 50 FFAA COC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 730188 PMWKPVCXFHDRPY-UHFFFAOYSA-N 356.407 2.603 0 50 FFAA CCOc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1 982876 LIKKZCLEJAVYHV-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA C[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccccc1 1130492 HACRXEAQSNFPKD-CYBMUJFWSA-N 366.446 2.934 0 50 FFAA CCn1cc(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21 3353833 YTISRKNDCUBECH-UHFFFAOYSA-N 365.433 2.706 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(=O)[nH]2)c1 55401033 XIUYRSWEDHBGMR-UHFFFAOYSA-N 363.373 2.888 0 50 FFAA CC[C@H](CO)N(Cc1ccsc1)C(=O)c1ccccc1N1CCOCC1 55088575 MBSCTESILHIJMX-QGZVFWFLSA-N 374.506 2.998 0 50 FFAA COc1nc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc2ccccc12 110951630 MEMBJSWIQZJYJW-QGZVFWFLSA-N 369.465 2.570 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)C12CCCC2 225383017 KWHDXUCAQZVUQG-FGTMMUONSA-N 357.450 2.964 0 50 FFAA CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2nccn2CC(F)(F)F)C1 112700171 RVBLRCIHNKFCBW-CYBMUJFWSA-N 360.424 2.820 0 50 FFAA O=C(Nc1nccs1)C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 55309097 LHXLNMQHDPYBFG-CQSZACIVSA-N 359.451 2.801 0 50 FFAA COc1ccc(-n2cccc2CN2CCC3(CC2)CN(C)CCN3C)cc1 67982586 BCAHBLGYUMHKDO-UHFFFAOYSA-N 368.525 2.698 0 50 FFAA C[C@H](O)CN1CCC(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 246808064 KBOZBGOGXVJYQF-ZOCIIQOWSA-N 364.917 2.995 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 24609537 OZRJTBIDFISKSX-UHFFFAOYSA-N 364.511 2.549 0 50 FFAA Cc1noc(C)c1CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67803579 UNDOGNKLUXTQRJ-MRXNPFEDSA-N 367.453 2.555 0 50 FFAA O=C1OCCN1c1ccc(S(=O)(=O)NC[C@H]2CCc3ccccc32)cc1 121423129 AVJFZYNOPAEWHS-OAHLLOKOSA-N 372.446 2.652 0 50 FFAA O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1c2ccccc2C[C@H]1O 121424047 ANACZGUEHNGNTG-GDBMZVCRSA-N 355.419 2.861 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)Cc1ccc2c(c1)OCO2 77343135 JXLIROQZWDJKIE-UHFFFAOYSA-N 351.362 2.666 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 229878790 JYZGKCGDOXWQGP-IHRRRGAJSA-N 371.485 2.537 0 50 FFAA CN(c1ccccc1)c1nc(NCc2ccco2)nc(N2CCOCC2)n1 6659463 ADNFJMNLLJMTID-UHFFFAOYSA-N 366.425 2.681 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCC(Nc2ccccn2)CC1 72154805 YFDSBPMSUCZWRP-MRXNPFEDSA-N 350.466 2.875 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2)n1C 328628671 HMDBBZSMDIKIHG-IEBWSBKVSA-N 359.445 2.784 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c(=O)[nH]c1C 72411852 HBDLSUOZPYCNDF-UHFFFAOYSA-N 372.396 2.709 0 50 FFAA C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C[C@@H](C)N1 153653486 IOXYRDCSMUNNBM-NWOVIEQLSA-N 351.450 2.883 0 50 FFAA O=C(CCc1ccncc1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435571290 TYMOYWMAJRXCPK-MRXNPFEDSA-N 356.495 2.642 0 50 FFAA CC(=O)Nc1ccc(-c2nccn2Cc2nc3ccccc3c(=O)[nH]2)cc1 71760320 HIPCZZPPQRRKRW-UHFFFAOYSA-N 359.389 2.793 0 50 FFAA CCn1ccnc1[C@@H](NC(=O)c1cccc2nc[nH]c12)C1CCOCC1 367493492 RQVUVHKFAPZKPM-INIZCTEOSA-N 353.426 2.677 0 50 FFAA Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@H](C)O)CC2)CC1 156037059 IABILJQIQODYLU-KRWDZBQOSA-N 359.514 2.762 0 50 FFAA O=C(NCCc1ccccc1F)N1CCCC[C@H]1CCN1CCOCC1 72152983 WIDGDLIHZATHQW-SFHVURJKSA-N 363.477 2.655 0 50 FFAA CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCCN1CCCOC1=O 219996352 YDOWIMMAUHVDGS-CQSZACIVSA-N 363.439 2.657 0 50 FFAA Cc1cccc(-n2cc(C(=O)Nc3ncc(C4CCNCC4)s3)nn2)c1 261987426 DLYTWVIODQBIND-UHFFFAOYSA-N 368.466 2.752 0 50 FFAA Cc1csc(CNC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 333211139 UAJQGYLXDUAOQS-DLBZAZTESA-N 351.516 2.624 0 50 FFAA Cc1cccc(NC[C@H]2CCN(CC(=O)N3CCc4ccccc43)C2)n1 171653374 REFRWKSXTBFBNG-QGZVFWFLSA-N 350.466 2.713 0 50 FFAA O[C@H](CN1CCN(CC2CCOCC2)CC1)c1ccccc1C(F)(F)F 172423154 RXBXBHHBYNCUOT-GOSISDBHSA-N 372.431 2.783 0 50 FFAA CN(CCCC1CCCC1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 426662435 PAHXINBUWYUBFL-INIZCTEOSA-N 360.502 2.568 0 50 FFAA CCc1nnc(S)n1CCNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 160263972 KSBZYABFPHLYFK-VDQHWBOFSA-N 352.479 2.554 0 50 FFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)CCn2ccccc2=O)C1 82137282 RJYHCDGVROPIRX-IBGZPJMESA-N 366.461 2.679 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc3nc(O)oc3c2)nc2c1CCCC2 426530544 SPQDPNXYHMLDIZ-UHFFFAOYSA-N 353.382 2.832 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)CCCN3CCCCC3=O)C2)c1 95386706 CYFYBCHGUHYCRK-KRWDZBQOSA-N 372.465 2.569 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 91876520 GYVVVCSGPAWGMK-CZUORRHYSA-N 356.388 2.888 0 50 FFAA Cc1cc(C(=O)N2CCC[C@](CO)(CC3CC3)C2)ccc1N1CCOCC1 91665854 MAJCUGPLBWRWQM-QFIPXVFZSA-N 372.509 2.846 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)cc2)nn1 426514603 DYFNZZYYCIUFJG-SFHVURJKSA-N 374.448 2.641 0 50 FFAA COc1cccc(N2CCN(CCCOCc3ccccc3)CC2=O)c1 91626083 ZPHFFKYIZGVLAS-UHFFFAOYSA-N 354.450 2.951 0 50 FFAA O=C(c1cccnc1)N1CCC(c2nccn2Cc2cscn2)CC1 91474493 TVXFXZBGZWHBKC-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 426529426 RADIAVPBHXVTSA-SFHVURJKSA-N 359.449 2.538 0 50 FFAA COc1ccc(OC[C@H](O)CN(C)C)c(CN2Cc3ccccc3C2)c1 95508884 ZOBYSPIEMKYXOC-LJQANCHMSA-N 356.466 2.512 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(C)c(C)c1 239173933 OXYVJYPQGBZNLG-YDRVBMSGSA-N 364.445 2.667 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)c1ccc(CN2CCCCC2)cc1 95376057 FBYCOUBTBGLMLF-UHFFFAOYSA-N 360.498 2.534 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H]2c2nonc2C)cn1 91504731 PDOHOHQNBSLUBO-OAHLLOKOSA-N 353.382 2.550 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cnc(Nc2ccccc2)nc1 92038273 ZDXYBGBNCZVJSK-UHFFFAOYSA-N 350.426 2.843 0 50 FFAA Cc1ccc2[nH]c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)c(C)c2c1 91830862 MXPBWRGHOBDDPK-HNNXBMFYSA-N 354.410 2.992 0 50 FFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@@H](C)N1CCCC1=O 97259207 YWTCAQUVHLKJRG-QGZVFWFLSA-N 351.450 2.930 0 50 FFAA COc1ccc(-c2ncnn2Cc2ccc(F)cc2)cc1N1CCOCC1 92066428 NSVFYCTYTPTBIR-UHFFFAOYSA-N 368.412 2.978 0 50 FFAA O=C([C@H]1CC[C@H](O)CC1)N1CCC[C@H](Cn2cc(-c3ccccc3)nn2)C1 243893151 AOMDIURYTJCHGI-WDSOQIARSA-N 368.481 2.735 0 50 FFAA Cc1cnn([C@H]2CCCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)C2)c1 162984872 WTPDGULJKDQHNU-AWEZNQCLSA-N 357.483 2.943 0 50 FFAA COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc2ccccc2c(=O)c1O 253398033 BVIYZBBKJSERHC-CYBMUJFWSA-N 368.341 2.922 0 50 FFAA biogenic COc1ccc(-c2ccc(NC(=O)NCC3(O)CCN(C)CC3)cc2)cc1 299797468 NVRALKYHNXBLJG-UHFFFAOYSA-N 369.465 2.940 0 50 FFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1OCCCN)C2 299792456 FUXSDFWWLQDCQK-LAQFHYBYSA-N 352.862 2.565 0 50 FFAA COc1ccc(C)c(NC(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 299769633 QTXKZFCLEWQGDY-UHFFFAOYSA-N 360.458 2.805 0 50 FFAA CCN1CCN(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)[C@@H](C)C1=O 299783685 WMCPEYSYDFNVKJ-LBPRGKRZSA-N 361.833 2.610 0 50 FFAA O=C1C[C@H](CN2CCCN(Cc3ccncc3)CC2)CN1c1ccccc1 299755934 FFITYYXNVBJQFO-HXUWFJFHSA-N 364.493 2.642 0 50 FFAA CC(C)N1CCO[C@H](CC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 299782791 GBTDVIKCTMFQJJ-QGZVFWFLSA-N 361.417 2.596 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)N2CCC(Oc3ncccn3)CC2)c1 299791239 CTWHJPCCUULUER-UHFFFAOYSA-N 370.409 2.647 0 50 FFAA CCc1nccn1CCCNC(=O)[C@H](C)Nc1ncnc2ccc(C)cc12 823557293 JWRKKMBKVQDDNE-HNNXBMFYSA-N 366.469 2.704 0 50 FFAA CC(C)(C)c1ccc(-c2noc(CNC(=O)N3CCC[C@H](N)C3)n2)cc1 827540705 ZTXNGZUFWHKKEG-HNNXBMFYSA-N 357.458 2.667 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N(CCCO)Cc1ccc(F)cc1 828753640 AOBLXZNJRHRKCU-UHFFFAOYSA-N 372.440 2.687 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCCCc1ccc(O)cc1 584888536 WBKFSEXLNMZBRV-KRWDZBQOSA-N 373.497 2.757 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N1CCCN(c2ccccc2)CC1 670460987 XZBTVFZHXITJFS-UHFFFAOYSA-N 359.495 2.576 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)CCCN3CCCC3=O)cc2)CC1 952980649 HNEBPKWOJDOHGL-UHFFFAOYSA-N 359.470 2.501 0 50 FFAA O=S(=O)(CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2)c1ccccc1 276119748 XRGZCQQMVKTSHM-SFHVURJKSA-N 359.495 2.899 0 50 FFAA Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N1CCNC(=O)CC1 191209297 XPOJIYTVJZNHBZ-UHFFFAOYSA-N 367.327 2.631 0 50 FFAA CCc1cc(C(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)cc(O)n1 778389941 KRGQDGAEGWJUBY-WMLDXEAASA-N 350.365 2.870 0 50 FFAA COc1ccc2c(c1)CC[C@@H](NC(=S)Nc1ccc(C(N)=O)cc1)C2 783755712 LOYPLTFLKPMRPC-MRXNPFEDSA-N 355.463 2.638 0 50 FFAA COc1cc2nc(NC[C@@H]3CCCN4CCCC[C@H]34)nc(N)c2cc1OC 1506396046 MQMYURRRVIZYSV-XJKSGUPXSA-N 371.485 2.906 0 50 FFAA CCc1nn(C)c(NC(=O)CCCc2nc(-c3ccncc3)no2)c1C 1506410968 GTRRJHGSPINIEI-UHFFFAOYSA-N 354.414 2.697 0 50 FFAA Cc1ccc(C)c([C@@H](C(=O)O)N2CCCN(C(=O)c3ccoc3)CC2)c1 1506419189 WEDGVDNCPDZPNW-SFHVURJKSA-N 356.422 2.870 0 50 FFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@H]1Cc2ccccc2C(=O)N1 1506399209 KRXWBMHDSOJWMX-MRXNPFEDSA-N 368.824 2.529 0 50 FFAA CCc1[nH]nc(C(=O)N2CCCN(C(=O)c3sccc3C)CC2)c1C 1529095225 PALUYEIHCUERCF-UHFFFAOYSA-N 360.483 2.639 0 50 FFAA Cc1ccc([C@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2N(C)C)cc1 222357682 HJDCHPXOSKUOMI-CVEARBPZSA-N 350.509 2.775 0 50 FFAA CO[C@H]1CN(C2CCN(Cc3ccco3)CC2)C[C@H]1Cc1cc(C)no1 1704352434 XZZRPHRHWKLJSX-UZLBHIALSA-N 359.470 2.730 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccccc3OC(F)(F)F)C[C@@H]2O)n[nH]1 1704300763 VZOJXOSTDMGMIC-HIFRSBDPSA-N 355.360 2.652 0 50 FFAA Cn1ccc(C2CCN(C(=O)CCn3cnc4ccccc43)CC2)cc1=O 1772711972 ZCUPNYVTDAEQIP-UHFFFAOYSA-N 364.449 2.531 0 50 FFAA Cc1cccn2ncc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c12 1772710840 WXBYATUSZQKZCB-HNNXBMFYSA-N 360.421 2.705 0 50 FFAA C[C@H](C(=O)N1C[C@@H]2[C@@H](C1)C2(CO)CO)c1ccc(-c2ccccc2)c(F)c1 1772808637 WWTBCPFRRFDHIZ-GDIGMMSISA-N 369.436 2.655 0 50 FFAA COc1cc(CN2C[C@H]3CN(Cc4ccc(C)o4)C[C@@]3(CO)C2)ccc1F 1772707957 ZIAYOFTVBUPCDH-LAUBAEHRSA-N 374.456 2.662 0 50 FFAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 5065335 BTQZZDHTYVPHDY-JTQLQIEISA-N 357.737 2.597 0 50 FFAA CCOC(=O)[C@H]1CCCN(Cc2cc(Br)c(O)c(OC)c2)C1 5326317 GKIVQCMZVKUVDC-LBPRGKRZSA-N 372.259 2.938 0 50 FFAA CCc1ccc(NC2=N[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2)cc1 5794770 SFMSCKMGPHZNDQ-MRXNPFEDSA-N 366.421 2.553 0 50 FFAA CCOC(=O)C1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2F)CC1 11663010 WWNMKEODDIFOQF-UHFFFAOYSA-N 361.417 3.000 0 50 FFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)CC(C)(C)CO 12704171 HKNWSSTUKMGZKR-IBGZPJMESA-N 374.569 2.833 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cn(C2CCCCC2)nn1 12709388 MVBNAIBKRDGOGL-HNNXBMFYSA-N 356.426 2.743 0 50 FFAA COC1CCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)CC1 15064469 VRSQKFBDAOGNDG-UHFFFAOYSA-N 372.469 2.664 0 50 FFAA Cn1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12 18155293 AWQMJOHDJYEZIX-UHFFFAOYSA-N 367.434 2.965 0 50 FFAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)/C=C/c4ccco4)C3)nn2)n1 169778606 BYFUHVXFKFFOHZ-URWSZGRFSA-N 368.397 2.531 0 50 FFAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668828 FFGGOFMUBZOAPQ-YEJXKQKISA-N 368.433 2.610 0 50 FFAA O=C(c1cncc(Cl)c1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857680606 PXFQBCWPASSBHA-LJQANCHMSA-N 371.824 2.625 0 50 FFAA C/C=C/CCCC(=O)N1CCC[C@@]2(CN(Cc3[nH]cnc3C)CC[C@H]2O)C1 1857705321 BXTSROMTFDHJGS-FMGXZMDRSA-N 374.529 2.640 0 50 FFAA Cc1nc(Cc2noc(-c3csc(-c4ccc5c(c4)OCO5)n3)n2)no1 109512588 DDQFWUFYQPOOOD-UHFFFAOYSA-N 369.362 2.871 0 50 FFAA Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 328747460 BAGGIUZGVOVIDE-MRVPVSSYSA-N 366.295 2.967 0 50 FFAA CC[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)[C@@H](O)C(F)(F)F 332730054 RDAJZHWQLKQDFL-XHVZSJERSA-N 351.752 2.709 0 50 FFAA COc1cccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1OC 134770585 ZTVLQZHIPHMGOD-GFCCVEGCSA-N 361.829 2.761 0 50 FFAA COC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 363436085 JQTWLEDJRHCLEX-IINYFYTJSA-N 359.253 2.749 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 263061056 XGLQXTFNLFDJJB-XQQFMLRXSA-N 351.365 2.599 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCN2)c1 870148069 MIFQUKITRPRXQR-OAHLLOKOSA-N 365.355 2.896 0 50 FFAA Cc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2C)nc(C)n1 952845296 VUDLZADNATXNLP-IBGZPJMESA-N 366.465 2.713 0 50 FFAA CC(=O)Nc1ccc(CN(C)C(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)cc1 1875298878 QOKKWKFGXVXERS-DYESRHJHSA-N 363.417 2.513 0 50 FFAA O=c1cc(Sc2nnc(N3CCOCC3)n2C2CC2)c2ccccc2o1 1875299896 ZNPPRRCNLRIMEN-UHFFFAOYSA-N 370.434 2.707 0 50 FFAA C[C@H](CN)CNC(=O)c1cnn2c(-c3ccccc3)cc(C(F)F)nc12 1875287297 CPASCOPCYAZRKX-LLVKDONJSA-N 359.380 2.659 0 50 FFAA Fc1cccc(Cc2nnc3n2CCN(c2cc(C4CC4)ncn2)C3)c1F 894784389 NFMFYWNPGFYNMF-UHFFFAOYSA-N 368.391 2.835 0 50 FFAA Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2C(C)C)cc1 4626166 HVIDOTNXONJNNM-UHFFFAOYSA-N 365.437 2.551 0 50 FFAA Cc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1 12462664 ZYNUKOYPVSJYMR-UHFFFAOYSA-N 372.475 2.645 0 50 FFAA CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2N)cc1 11692974 NAKDKGFQCPEENR-UHFFFAOYSA-N 355.785 2.958 0 50 FFAA Cc1[nH]nc2ccc(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)cc12 2325757257 PNQAUROUDFHJPO-CYBMUJFWSA-N 355.829 2.928 0 50 FFAA O=S(=O)(CC[C@@H]1CCCO1)NCc1cc(-c2ccccc2)ns1 2325783089 XYGMTQYYQOEUAH-AWEZNQCLSA-N 352.481 2.799 0 50 FFAA FC1(F)CN(c2ccnc(-c3ccc(Br)cn3)n2)CCO1 2325867045 IVBPYOHPIJUYOR-UHFFFAOYSA-N 357.158 2.731 0 50 FFAA COc1cccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 851390 KCZIPNZDTHIRPG-KRWDZBQOSA-N 352.390 2.955 0 50 FFAA CCC[C@@]1(CO)CN(Cc2cnn(-c3ccccc3Cl)c2)CC[C@H]1O 2356149299 TYIDIEOQEFMIMZ-MOPGFXCFSA-N 363.889 2.871 0 50 FFAA O=C([C@@H]1CCCOC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356153522 KNZFGPWZSOFEKN-OAHLLOKOSA-N 354.450 2.985 0 50 FFAA C[C@@]1(O)CCOC2(CCN(C(=O)CCc3ccc(F)cc3F)CC2)C1 2356156690 MTTHIHSVAVILLY-GOSISDBHSA-N 353.409 2.820 0 50 FFAA O=C(CN1CCCCCC1=O)Nc1n[nH]c2cc(C(F)(F)F)ccc12 2356165650 MLUAGXUZBAODRG-UHFFFAOYSA-N 354.332 2.923 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccccc2C)ccc1N1CCOCC1 4710820 FBRZNCLSTXLETF-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1 4839065 OQYRHWCAJWYBMD-UHFFFAOYSA-N 373.478 2.835 0 50 FFAA COc1ccc(-c2noc(CNC(=O)COc3ccccc3C)n2)cc1 6743724 CFVAPFPGTBWOAS-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)nc1 67560579 KVQBNVLKUCHJNT-UHFFFAOYSA-N 364.449 2.709 0 50 FFAA CC[C@H](C)Oc1ccc(CN2CCC3(CC2)NCCNC3=O)cc1Cl 67946742 BGFBRYYSBURCFD-AWEZNQCLSA-N 365.905 2.571 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1OC(F)F 134224852 GVDDJPMJWKPEMH-GFCCVEGCSA-N 365.380 2.799 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)NCCCc1c(C)n[nH]c1C 67688639 BDRSMWKJWAOXLI-UHFFFAOYSA-N 358.442 2.503 0 50 FFAA Cc1cc(=O)c(C(=O)NCc2cccnc2N2CCCCCCC2)c[nH]1 67981723 XIRBDGSIOVOALZ-UHFFFAOYSA-N 354.454 2.779 0 50 FFAA c1cn(CCCOc2ccc(CN3CCC[C@H](c4ncn[nH]4)C3)cc2)cn1 215839826 LSZZRNCGPXHLBQ-SFHVURJKSA-N 366.469 2.850 0 50 FFAA C[C@H]1CCc2[nH]nc(C(=O)N3CCCN(Cc4cccs4)CC3)c2C1 72480076 XHRLALNKCSAQIR-AWEZNQCLSA-N 358.511 2.944 0 50 FFAA CCc1cc(N2CCN(c3ncnc4ccccc34)CC2)n2nccc2n1 72411601 JVQZYVMSRBRGBB-UHFFFAOYSA-N 359.437 2.562 0 50 FFAA Cc1nc(CN2CCN(Cc3cc4ccccc4n(C)c3=O)CC2)cs1 215824930 JXUSCBQEPDQNIW-UHFFFAOYSA-N 368.506 2.621 0 50 FFAA Cc1cccc(-c2ncc(CN3CCC(O)(CN4CCCC4)CC3)cn2)c1 215222990 YFQIYFABDKHYDS-UHFFFAOYSA-N 366.509 2.875 0 50 FFAA Cc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)s1 72411024 VQZRIVMAOHIFFD-MAUKXSAKSA-N 358.511 2.835 0 50 FFAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2 215417688 KDGMCSMCBUUAPZ-FQEVSTJZSA-N 365.477 2.980 0 50 FFAA CN(Cc1ccccc1)[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1O 72434566 KUNRWIWGPSYZHV-ROUUACIJSA-N 367.474 2.614 0 50 FFAA COc1ccc(NC(=O)[C@]2(C)CCCc3ccccc32)cc1OCC(N)=O 154256077 HFAKPMJZKNZRMW-OAQYLSRUSA-N 368.433 2.792 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1 363307004 NLWNIXIBZLFDKV-OAHLLOKOSA-N 369.469 2.655 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 71762058 JZLUMFRXXJZLKY-INIZCTEOSA-N 357.429 2.631 0 50 FFAA Cc1cccc(OC2CCN(C(=O)c3ccnc(-n4cnnc4)c3)CC2)c1 77303638 FNBSGVJXWVYOFT-UHFFFAOYSA-N 363.421 2.654 0 50 FFAA Cc1ncc(CN(C)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)s1 241884888 SYNWCOGWZXJDQA-WMLDXEAASA-N 355.504 2.644 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)N1CC[C@@](C(=N)O)(c2ccccc2)C1 332701084 SNSHRXHZOBDART-SFHVURJKSA-N 365.499 2.675 0 50 FFAA CCCCc1nc(Cl)c(CN2CCCO[C@@H](Cn3cccn3)C2)[nH]1 215761556 GZYHLRWTMQAENQ-CQSZACIVSA-N 351.882 2.893 0 50 FFAA Cc1nccn1C1(C(=O)O)CCN(c2cccc(C(F)(F)F)n2)CC1 72419778 MLHAENQUFZBKMP-UHFFFAOYSA-N 354.332 2.686 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 238083934 UQWHPWJNBARZFN-GFCCVEGCSA-N 353.300 2.580 0 50 FFAA O=C(Cn1cc(-c2ccncc2)cn1)Nc1ccn(Cc2ccccc2)n1 48170689 YVMNBSIGDGYTSE-UHFFFAOYSA-N 358.405 2.829 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC(Cn4cc([C@H](C)O)nn4)CC3)c2o1 19795099 SYAPGDHGNIIOHB-AWEZNQCLSA-N 368.437 2.938 0 50 FFAA c1cc2c(cc1-c1nn3c(CN4CCCCCC4)nnc3s1)OCO2 49546018 AUTMWUAGMVPMAN-UHFFFAOYSA-N 357.439 2.958 0 50 FFAA CS(=O)(=O)C1CCC(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 173143649 MNWKTVSWAYNGOX-UHFFFAOYSA-N 362.455 2.554 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@H](O)C2)c1 222618047 CQTIEVGSOGUYAB-SIXWZSSISA-N 351.406 2.814 0 50 FFAA COc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1OC 263680040 GZJOMPUUNLBZPA-PMPSAXMXSA-N 361.438 2.881 0 50 FFAA CCCc1nc(C(=O)N2CC[C@@H](N(CC)CC)C2)nn1-c1ccccc1F 174157061 VHJJLOOZDWWKCZ-OAHLLOKOSA-N 373.476 2.915 0 50 FFAA Cn1c(CNC(=O)N2CCCC[C@H]2CO)nc2cc(C(F)(F)F)ccc21 426693831 RRHNREQLNLICPJ-LBPRGKRZSA-N 370.375 2.649 0 50 FFAA O=C(CSc1ccncc1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 220137758 HEEBHPMATXWKKJ-IAGOWNOFSA-N 362.426 2.666 0 50 FFAA O=C(CCCOCc1ccccc1)N1CCCN(c2ncccn2)CC1 223185699 WVPVZRCDCFRABP-UHFFFAOYSA-N 354.454 2.512 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)c2ccc(CSc3nc[nH]n3)o2)n1 426503598 SOFNTHZUKCFUMZ-NSHDSACASA-N 374.426 2.613 0 50 FFAA CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21 20605688 KLAFYIQQVNSWPD-UHFFFAOYSA-N 355.345 2.893 0 50 FFAA COc1ccc(C)c(NC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 95524972 NSKCIRSSVDDPMW-KRWDZBQOSA-N 374.529 2.883 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1 91876785 LCFAQIMSJBPIBL-UHFFFAOYSA-N 350.422 2.683 0 50 FFAA C[C@@H](NC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)C(=O)O 426489456 ZQLQKYLQBUTQAZ-SNVBAGLBSA-N 360.332 2.731 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3nc(C(C)C)no3)CC2=O)cc1 91737544 XXWVDCFMXJVJPI-OAHLLOKOSA-N 370.453 2.986 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCN(C(=O)C2CCC2)CC1 91391472 HSBQPDMCLYFJHF-UHFFFAOYSA-N 358.486 2.932 0 50 FFAA O=C(Nc1cccc(-n2cncn2)c1)N1CCCC[C@@H]1CCn1cccn1 96132935 BDMPYLBUYLGHKV-QGZVFWFLSA-N 365.441 2.941 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 96136920 XBPGEJSAVYNEBT-LJQANCHMSA-N 367.449 2.971 0 50 FFAA O=S1(=O)CC[C@@H](Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1 96165258 BIVVHTWBXAQWJK-INIZCTEOSA-N 371.462 2.758 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nc3cc(OC)ccc3o1)CO2 91664469 XZBVGZBFHVGHMH-ZDUSSCGKSA-N 368.389 2.713 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@]2(CCCN(C(C)C)C2=O)C1 91896147 CYJYCXCHKYFZIE-GOSISDBHSA-N 352.910 2.859 0 50 FFAA COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 91254853 CBODHBWJNQIEBW-NVXWUHKLSA-N 369.440 2.966 0 50 FFAA O=C(NC1CCN(Cc2ccccc2Cl)CC1)[C@H]1CC[C@@H](C(=O)O)C1 97657130 RZQPPZKDXMPQMN-UONOGXRCSA-N 364.873 2.922 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2csc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)cn1 244900211 ZYCCZGHNGKQBAK-ZRGWGRIASA-N 374.462 2.525 0 50 FFAA O=C(Nc1ccc2nncn2c1)[C@H]1CCCCN1Cc1ccc(F)cc1 179630556 FKSOTEISMKOOKE-QGZVFWFLSA-N 353.401 2.862 0 50 FFAA Cc1ccc(C)c(OC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 240825200 QOAXYXAHLCLESO-LXSMPZMBSA-N 365.429 2.650 0 50 FFAA C[C@H](c1ccncc1)N1CCC(N[C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 183372204 LDKDSPKCZXFYEE-MNEFBYGVSA-N 365.543 2.552 0 50 FFAA O=C(CC[C@H]1N=C(O)N(Cc2ccco2)C1=O)Nc1ccc2cc[nH]c2c1 252536944 JVUYXRHKEDFYRD-OAHLLOKOSA-N 366.377 2.805 0 50 FFAA Cc1cc(NC(=O)CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)on1 181299050 VKWYQYDUJCCBDP-HNNXBMFYSA-N 366.425 2.586 0 50 FFAA CO[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc(C)nn4c3)c2)C1 534575285 FOJRWYNGSBQAOW-SFHVURJKSA-N 350.422 2.956 0 50 FFAA C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2c(s1)CCCC2 299760277 IRYAMKYWFOVENZ-GFCCVEGCSA-N 368.462 2.609 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1c(-c3ccccc3)noc1C)CC2 299762477 XMVJTWSTURGTTM-GQIGUUNPSA-N 356.422 2.795 0 50 FFAA O=C(NC1CCN(c2cnccn2)CC1)c1c[nH]nc1C1CCCCC1 299801441 YISCUYIFPOATQV-UHFFFAOYSA-N 354.458 2.646 0 50 FFAA c1sc(CN2CCC[C@H](CN3CCOCC3)C2)cc1CN1CCCC1 827603760 UUSFUMNANJDATO-GOSISDBHSA-N 363.571 2.888 0 50 FFAA COc1cccc(CCN(Cc2ccc(F)cc2)C(=O)[C@@H]2CNC(=O)C2)c1 824776101 FFHRQFQDCQMUNP-KRWDZBQOSA-N 370.424 2.542 0 50 FFAA FC(F)(F)c1ccn(C2CCN(Cc3nnc4n3CCCC4)CC2)n1 272420990 GPOKBIIARXTUSU-UHFFFAOYSA-N 354.380 2.667 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@@H]1CC12CCNCC2 275696120 NFBBHPLLCMVRJC-CYBMUJFWSA-N 364.902 2.920 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1ccnnc1)CC2 275783426 SZVJQZBKMAJXKP-QGZVFWFLSA-N 370.478 2.582 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)NCc2c(C)oc3ccccc23)CC1 192516686 OPEHWTCXILROIC-UHFFFAOYSA-N 364.467 2.850 0 50 FFAA CN1CCN(c2ccncc2NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)CC1 755222526 AVDTZEQYNHVXFQ-ROUUACIJSA-N 350.466 2.651 0 50 FFAA CCn1c(N[C@H]2COc3c(cccc3OC)C2)nc2cc(C(=O)O)cnc21 1506403115 RIJHKLGRYRUIRB-CYBMUJFWSA-N 368.393 2.574 0 50 FFAA Cc1ccc(C2(O)CCN(C3CCN(Cc4ccco4)CC3)CC2)nc1 1506424389 JNUQVKDYOVSKOU-UHFFFAOYSA-N 355.482 2.931 0 50 FFAA COc1cccc2c1OCC(CN(CCN(C)C)Cc1[nH]cnc1C)=C2 1704329705 BHBFVMHQUGQPCW-UHFFFAOYSA-N 356.470 2.566 0 50 FFAA CCOc1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ccc1OC 5010336 JPNDSGAAMJXEKV-SJORKVTESA-N 354.450 2.875 0 50 FFAA Cc1ccc(C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)c(C)c1 12715902 VOIMOTXLIIRFDV-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CCN2CCCCC2)c1 15002315 FTTVNDOWWQXBBX-IBGZPJMESA-N 359.514 2.652 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCCc3cccnc3)nc2)C1 19798682 LUDIIYGDVCAVKF-KRWDZBQOSA-N 354.454 2.630 0 50 FFAA COc1ccc([C@@H](O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1 169758093 GNJIWAXMVLXULW-KRWDZBQOSA-N 367.430 2.967 0 50 FFAA COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1 169779906 MBCLDPZGASYHSW-LLVKDONJSA-N 368.368 2.702 0 50 FFAA O=C(c1cccc2c1OCCO2)N(Cc1ccncc1)C[C@@H]1CCCO1 156282609 HTEWOKPDJMBRRO-INIZCTEOSA-N 354.406 2.674 0 50 FFAA CO[C@H]1CCNC[C@H]1n1ccnc1-c1cc(C)cc(C)c1-n1cccn1 1857701162 QZCCKEPITBRLEG-MSOLQXFVSA-N 351.454 2.902 0 50 FFAA Cn1nc(-c2nccn2C2CCS(=O)(=O)CC2)c2c(Cl)cccc21 1857717148 MUSLYLMKUWBLII-UHFFFAOYSA-N 364.858 2.840 0 50 FFAA O=C(c1cnc2c(c1)N=C(O)CS2)N1CC[C@H](CN2CCCCC2)C1 329022176 MKWWGFJPWXPURA-CYBMUJFWSA-N 360.483 2.723 0 50 FFAA Cc1cccc2c(CCC(=O)NCCC(=O)NCc3cccnc3)c[nH]c12 162108260 XPNXCSMQTQFYPG-UHFFFAOYSA-N 364.449 2.627 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c1 1704329027 RKGGXWLLPBNDRN-MOPGFXCFSA-N 364.445 2.591 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 917629174 XYSRLTNBBPDYGB-NSHDSACASA-N 351.362 2.783 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1O)c1cc(Cl)nn1-c1ncccc1Cl 1875293162 FMEFWAACXLXBGE-ZYHUDNBSSA-N 355.225 2.607 0 50 FFAA NC[C@@H](C(=O)N[C@H](CCC(=O)O)Cc1ccccc1)c1ccccc1Cl 1875291231 RWVVKRCNSICFSO-NVXWUHKLSA-N 374.868 2.975 0 50 FFAA C[C@H]1c2sccc2CCN1C(=O)C[C@H](c1ccccc1)n1cnnn1 1875296112 ZNSCPZKRQFMOTO-XJKSGUPXSA-N 353.451 2.860 0 50 FFAA C[C@H](C(=O)N1CCOC2(CCS(=N)(=O)CC2)C1)c1ccc(F)cc1F 1875396093 VIKUAUJSQNENDI-UROQIZTPSA-N 372.437 2.506 0 50 FFAA Cc1nc(C(=O)N2CCCC3(CCC3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300289 WNKONKHTJZWSPY-QGZVFWFLSA-N 371.529 2.640 0 50 FFAA O=C(N[C@H]1C[C@H](N=c2nc(CC3CC3)[nH]s2)C1)c1occc1C1CC1 1875405261 BFEFFUADLFAVJI-JOCQHMNTSA-N 358.467 2.756 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1ccc(C(F)(F)F)cc1 879263954 VTLBYIVYJAVLOB-LLVKDONJSA-N 367.375 2.902 0 50 FFAA CC[C@@H](C)c1nn2c(=O)c(NC(=O)c3ccc(OC)cc3)cnc2s1 12418715 GSRFFGGOBTWTPZ-SNVBAGLBSA-N 358.423 2.925 0 50 FFAA COc1ccc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)cc1 783288 DJDNWIKWROBVEH-UHFFFAOYSA-N 359.386 2.541 0 50 FFAA CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(F)cc2)cc1 1073139 JTAZHWUCEYOSBO-UHFFFAOYSA-N 367.398 2.593 0 50 FFAA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1 1221354 UAONXTVGZKXTPJ-IAQYHMDHSA-N 360.435 2.907 0 50 FFAA COCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 4697009 GVHHULMZSVPVOJ-GHRIWEEISA-N 358.825 2.874 0 50 FFAA COc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1Cl 6746483 VVIMMDMBAMUARJ-SNVBAGLBSA-N 354.834 2.943 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 10544009 AEHVMHFHDPUJSZ-HOTGVXAUSA-N 354.516 2.732 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(OC(F)F)cc1)C(=O)CO2 10820826 UMUGHQNPFMTERR-UHFFFAOYSA-N 362.332 2.961 0 50 FFAA CC[C@@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C(N)=O 112539852 JIOIINPFHYMOBR-GOSISDBHSA-N 351.450 2.884 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(N)[nH]n2)c1 55060790 NIDINMAISAKYFT-UHFFFAOYSA-N 351.366 2.505 0 50 FFAA O=C([C@H]1CC12CCC2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 65373128 UPEOEPZSCDDDDY-QGZVFWFLSA-N 366.465 2.532 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC(n4cc(CN)nn4)CC3)cc2)o1 23580754 DZHZKSCBEFZPMX-UHFFFAOYSA-N 365.437 2.783 0 50 FFAA O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@](O)(C(=O)O)C1 307618054 SITJORSMOALLHK-OAQYLSRUSA-N 367.401 2.847 0 50 FFAA CCn1nc(C)cc1C(=O)NCc1cccnc1-n1cnc2ccccc21 67696905 WLGZEANFOMTEGS-UHFFFAOYSA-N 360.421 2.875 0 50 FFAA Cc1nc(C)c(CN2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)nc1C 12073435 KEXUHQLMGVXRFM-LJQANCHMSA-N 366.513 2.930 0 50 FFAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H]1c1cccc2ccccc12 118880900 PLIHDHUHCPCWNV-KRWDZBQOSA-N 365.433 2.834 0 50 FFAA COc1nc(C)cc(C)c1CNCCC(=O)N1CCc2ccccc2C1 65386197 RMQWVKLRFULQFT-UHFFFAOYSA-N 353.466 2.772 0 50 FFAA CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCN3CCC[C@H]3C2)ccn1 252442065 GDYLNBNVVICGIA-WMZOPIPTSA-N 360.502 2.885 0 50 FFAA CCn1cc(NC(=O)c2ccnn2C(F)F)c(C(=O)Nc2ccccc2)n1 2795594 RALZOQCKPBTZLE-UHFFFAOYSA-N 374.351 2.999 0 50 FFAA Cc1nn(Cc2nc3c4ccccc4ncn3n2)c(C)c1Br 2806453 IVHYTUURWSPBAU-UHFFFAOYSA-N 357.215 2.902 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 120601688 ZSXGNCVQQMDCSO-HNNXBMFYSA-N 371.441 2.984 0 50 FFAA CCCc1cc(C(=O)N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n[nH]1 328619495 FWUSYTQXWIOPBO-HNAYVOBHSA-N 372.517 2.641 0 50 FFAA O=C1c2ccccc2C(=O)N1c1cccc(N2C(=O)c3ccccc3C2=O)n1 37867191 ILSYCXJRQWYBMF-UHFFFAOYSA-N 369.336 2.683 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3cccc(OC(F)F)c3)cnc21 77386817 SPMHWFMTSBLQCQ-UHFFFAOYSA-N 361.352 2.565 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)c2ccc3c(c2)OCO3)CC1 77389453 DTUFPXXPCJKHNH-UHFFFAOYSA-N 353.422 2.547 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(Cc3c(CC)nn(C)c3Cl)CC[C@H]21 72429251 RHOTVDUDWXXZGN-XJKSGUPXSA-N 352.910 2.859 0 50 FFAA NC(=O)C1(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)CC1 72154059 OMBGBDSDZXFNBX-OAHLLOKOSA-N 350.418 2.527 0 50 FFAA CC(C)CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1F 159886209 HCOYKVNEUQUEME-HNNXBMFYSA-N 350.390 2.890 0 50 FFAA Cc1cccc(C)c1OC1CN(Cc2cnc(N3CCOCC3)s2)C1 72147837 GLPOIXLVTMXCIN-UHFFFAOYSA-N 359.495 2.860 0 50 FFAA COc1cccc(C(=O)c2ccc(C(=O)N3C[C@H](O)C4(CC4)C3)cc2)c1 370020253 NHRCIUBUHQQWEL-SFHVURJKSA-N 351.402 2.523 0 50 FFAA O=C([C@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 262026084 ZMNBFBDSIWXQTO-YJBOKZPZSA-N 370.522 2.747 0 50 FFAA CCCc1nnc(S)n1CC(=O)Nc1cc(Br)ccc1O 126648535 MAWZUNWUYIMVSK-UHFFFAOYSA-N 371.260 2.626 0 50 FFAA CCCn1nccc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72146132 OWEMPIQKKKKPTL-LJQANCHMSA-N 352.482 2.608 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 378230475 GXVYEQMFENEOID-HSALFYBXSA-N 370.493 2.732 0 50 FFAA C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)N[C@@H]1CCCS(=O)(=O)C1 333799484 XXFXOPBEPNSNMM-AEFFLSMTSA-N 368.474 2.510 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)cc1 72432651 HPHGOMLEQMVGAM-UHFFFAOYSA-N 368.433 2.556 0 50 FFAA Cc1cc(C2CCC2)nc(N2CCC(c3nnc(CN(C)C)n3C)CC2)n1 77506169 XNNXDNGUYMNJJC-UHFFFAOYSA-N 369.517 2.627 0 50 FFAA Cc1cc(C)n(CCCNC(=O)Nc2cccc(N3CCCC3=O)c2)n1 43848042 DNUOIKNBODEUIU-UHFFFAOYSA-N 355.442 2.839 0 50 FFAA CN1CCC(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 222891759 QJXUBHLALRCGOH-NLPFYKDJSA-N 353.466 2.505 0 50 FFAA CCCCc1cn(C[C@H]2CCCN(C(=O)c3cnc(CC)nc3)C2)nn1 48148082 QGSQCRAJRKIXIY-HNNXBMFYSA-N 356.474 2.526 0 50 FFAA COc1ccc(NC(=O)c2cn3nc(-c4cccnc4)nc3nc2C)cc1 220134201 RJKLUJPXVGZHJC-UHFFFAOYSA-N 360.377 2.756 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)n[nH]1 42972164 YGZGHDNTQKDOPP-LJQANCHMSA-N 362.543 2.739 0 50 FFAA Cn1cncc1-c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 426478647 BHQMFSJWGWAHGF-SFHVURJKSA-N 366.465 2.562 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)cc2)nn1 426514596 DYFNZZYYCIUFJG-GOSISDBHSA-N 374.448 2.641 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 333260970 BACGCWNRICMWDC-SWLSCSKDSA-N 351.497 2.802 0 50 FFAA CN(C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CCSCC1 95512436 PCSLLZKQLGCJOI-UHFFFAOYSA-N 359.451 2.804 0 50 FFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2c3ccccc3O[C@H]2C)n1 288715603 DQHBCINZLDTCJO-SUMWQHHRSA-N 364.409 2.923 0 50 FFAA COc1ccc([C@@H]2CN(Cc3ccccc3OC)C[C@H]2NC(C)=O)cc1 95506173 ZMHXFUKVCXHXRQ-VQTJNVASSA-N 354.450 2.808 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n[nH]1 289164516 JTTZZZFDXTVGNT-PSAKCFHXSA-N 368.481 2.863 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@@H](O)c1cccc(C(F)(F)F)c1 91679395 KLPCOKSTVVGQLP-OAHLLOKOSA-N 356.388 2.731 0 50 FFAA CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 239527573 ATDBMXBBCVEDMU-UHFFFAOYSA-N 359.856 2.569 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C 95362609 FPEMZMXZSMCRIA-IBGZPJMESA-N 361.555 2.638 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)CCN1CCCC1=O 97694742 LIGLKKBJSYUCJR-UHFFFAOYSA-N 354.450 2.827 0 50 FFAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)cc1 95366783 SFDYXNVHQRJPRA-FQEVSTJZSA-N 369.465 2.812 0 50 FFAA Cc1cccc2cc(C(=O)N3C[C@H](CO)C[C@H](CN4CCCC4)C3)oc12 91321177 KYRUWQALYJIRQA-IAGOWNOFSA-N 356.466 2.908 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CCO1 238064457 WWKXOUDHVNMJCA-NSHDSACASA-N 372.402 2.872 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2ccccc2)C(C)C)C1 230101146 XPRAHMPATQEPKG-SJORKVTESA-N 352.500 2.562 0 50 FFAA CC[C@@H]1CCC[C@H]1NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1 162587927 ICJGQTDJONMMIN-IUODEOHRSA-N 360.483 2.937 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccccn3)[nH]n2)o1 92001704 FFHDUOMBKKWKIZ-IBGZPJMESA-N 374.404 2.884 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2csc(SC)n2)C1 95519012 MKXLPKSZOYQMCL-GFCCVEGCSA-N 366.512 2.728 0 50 FFAA O=C(NCc1cc(-c2ccccc2F)no1)[C@@H]1CC(=O)N(C2CCCC2)C1 91526332 IFEDTBMVYGOCBX-CYBMUJFWSA-N 371.412 2.888 0 50 FFAA Cc1cc(C)nc(N2CCC(NC[C@H](CO)Cc3ccsc3)CC2)n1 95497564 SMYBTOXGYXRCMW-QGZVFWFLSA-N 360.527 2.565 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1cccc(C(F)(F)F)n1)CC2 92107682 ZXGGFFQXCGHNRN-UHFFFAOYSA-N 371.403 2.956 0 50 FFAA COc1c(C(=O)N2CC[C@](C)(C(=O)O)C2)sc(C)c1Br 237277476 YZSFIPOQLJBLIY-ZDUSSCGKSA-N 362.245 2.764 0 50 FFAA CN(C)c1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1 244594120 DGSCIYPOJFAJHL-SLYNCCJLSA-N 366.461 2.930 0 50 FFAA CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2nnc(N)s2)cc1C 244595053 DNVJVCHAWQUWSV-LLVKDONJSA-N 362.455 2.668 0 50 FFAA C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1nnc2ccccn12 183787039 QDVXLNNYETZDSG-AWEZNQCLSA-N 371.872 2.910 0 50 FFAA O=C(O)[C@H](C(=O)NC1CCN(Cc2cccc(O)c2)CC1)C1CCCCC1 252489063 JEFQHRLCKXELHH-IBGZPJMESA-N 374.481 2.754 0 50 FFAA Cc1cc(C)n([C@H]2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1 299765871 CQMAHPKVWXCZMO-INIZCTEOSA-N 357.845 2.608 0 50 FFAA Cc1nonc1C(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 299755799 DBBDQLTXFQKHDN-UHFFFAOYSA-N 366.425 2.868 0 50 FFAA O=C(Nc1cccnc1O)N1CCCN(CCCc2ccccc2)CC1 299771814 VILFTSODQMYVDL-UHFFFAOYSA-N 354.454 2.960 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3CCN(CCC(=O)O)CC3)c2)c1 299766495 DXKGOPLXCDCWQB-UHFFFAOYSA-N 368.433 2.595 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)Cc3ccc(-n4cccc4)cc3)CCO2)cn1 170611623 XARGLFCAQSCEQB-FQEVSTJZSA-N 364.449 2.836 0 50 FFAA CC(C)[C@@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 170608111 JOHYIASZIYYXRV-HXUWFJFHSA-N 365.477 2.849 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3Cl)CCO2)cn1 189228873 JZANAXOYRMWMAH-HNNXBMFYSA-N 369.874 2.627 0 50 FFAA O=C1C[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCN1 192074332 OZJUEEYPVUIEHA-SECBINFHSA-N 360.763 2.990 0 50 FFAA CC(C)C[C@@H]1CN(C(=O)C2CCN(C3CCOCC3)CC2)CC[C@]1(C)O 211533088 GUZRPTROAHWFKQ-NQIIRXRSSA-N 366.546 2.523 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 1506431759 YCIHHYCPHNORLT-LLVKDONJSA-N 361.847 2.532 0 50 FFAA CCC[C@H]1CN(C(=O)c2cc3ccccc3s2)C[C@@H]1NS(C)(=O)=O 216368157 MZWAWBRAWDUEAD-KBPBESRZSA-N 366.508 2.691 0 50 FFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1nc2c(c(C(F)(F)F)n1)CCCC2 1772701206 JBYIKRQNXFBAOG-MNOVXSKESA-N 354.376 2.574 0 50 FFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1[nH]nc2ncccc12 1772809369 VDZZBSKOASPLOF-UHFFFAOYSA-N 373.416 2.822 0 50 FFAA O=C(NCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 5438438 PODRABOTLQLBOI-UHFFFAOYSA-N 362.426 2.686 0 50 FFAA COCc1ccc(C(=O)NCc2nnc(SC)n2-c2ccccc2C)o1 12150810 GGRGACQPEXUPEJ-UHFFFAOYSA-N 372.450 2.967 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)n1 12196765 GRYANWRVBGLKOB-UHFFFAOYSA-N 370.541 2.689 0 50 FFAA O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccco1 12862557 UZEAWYGOGFCJCX-LLVKDONJSA-N 354.391 2.904 0 50 FFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 13745553 FDVZLXOKQIYWJW-AWEZNQCLSA-N 359.451 2.897 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc(OC)c3)C2)nn1 15007476 HXAXUSRXHVJKEA-KRWDZBQOSA-N 371.485 2.606 0 50 FFAA COc1cc(OC)cc(-c2nnc(S)n2-c2ccc(C(=O)O)cc2)c1 18191124 RXQXQPVNQQATOI-UHFFFAOYSA-N 357.391 2.938 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1 19235039 CLQBJAOJAWKYLM-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA CCCCNC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 169621106 WTFMFEYQIMDWOF-IBGZPJMESA-N 364.449 2.926 0 50 FFAA C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO 246936817 WRRBRTDCHAQNHP-SLEUVZQESA-N 356.260 2.884 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)NCc3cccs3)C1)CC2 1704325480 MVRUDASCCGKHQR-IBGZPJMESA-N 371.510 2.794 0 50 FFAA Cc1nc2ccccc2c(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1C 952846967 RXJYXFGEKUNVOH-HXUWFJFHSA-N 353.466 2.708 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)c1 1875368759 NZSSNCCGJYIDND-BVZFJXPGSA-N 361.467 2.626 0 50 FFAA Cn1cnc2cc(C(=O)NS(=O)(=O)CCCC3CCCCC3)ccc21 1875327803 LUXVAZJTFVLIIJ-UHFFFAOYSA-N 363.483 2.993 0 50 FFAA O=C(NC1([C@@H](O)c2ccc(F)cc2)CCCC1)C(F)(F)C1(O)CCC1 1875338826 NIFWCOTZCGDWQT-AWEZNQCLSA-N 357.372 2.838 0 50 FFAA O=C(NC[C@]1(CN=c2cnc(F)c[nH]2)CC12CCC2)[C@@H]1CCC[C@@H]2C[C@@H]21 1875408421 WHKXETUXLKMRLW-GXNBUGAJSA-N 358.461 2.562 0 50 FFAA O=C1C[C@@H](c2ccccc2)NC(SCC(=O)NCc2ccccc2)=N1 2745869 SJZKXVWPYLWTNS-INIZCTEOSA-N 353.447 2.653 0 50 FFAA CCOCCn1nc(-c2c[nH]nc2C)nc1-c1ccc(O)nc1C(C)C 2100539830 ZZDBSZGTOGBXND-UHFFFAOYSA-N 356.430 2.904 0 50 FFAA NS(=O)(=O)C1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 2325771251 NPKMKASCZQNTRL-YMAMQOFZSA-N 354.472 2.571 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325867756 FMAQYZJCOLFKTF-CLWVCHIJSA-N 359.470 2.542 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2)c1 1144686 OAOVWGYGOOOWGK-UHFFFAOYSA-N 360.479 2.956 0 50 FFAA CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 2145069 RFWQOKDGSGXSCY-MAUKXSAKSA-N 352.390 2.961 0 50 FFAA biogenic COC(=O)c1ccc(-n2nnnc2SCc2ccccc2OC)cc1 2196408 QFCITOQUKIFZGA-UHFFFAOYSA-N 356.407 2.750 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2ccnn2-c2ccccc2)CC[C@H]1O 2356140053 ROJHCDTYRARFAV-TZIWHRDSSA-N 371.481 2.946 0 50 FFAA COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 2849313 KBIVWRUFPYJZEC-UHFFFAOYSA-N 373.434 2.874 0 50 FFAA CCOCc1cc(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)ccc1OC 2356166163 PSBCWLRYFSVYJK-SCTDSRPQSA-N 360.498 2.920 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2c(F)cccc2F)C1=O 2356166262 ZNEDBMCUIYGVCS-QGZVFWFLSA-N 372.437 2.521 0 50 FFAA COCCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O 8613952 JSMKJVGCWZALRP-UHFFFAOYSA-N 364.401 2.918 0 50 FFAA CN(Cc1ccc2nonc2c1)Cc1nc(Cc2cccc(F)c2)no1 55167350 JTVJFAVTBDDLDR-UHFFFAOYSA-N 353.357 2.968 0 50 FFAA Cc1ccc2oc(C(=O)N3CCN(Cc4nccn4C)CC3)c(C)c2c1 20205715 ZFVITRWOOXGBRC-UHFFFAOYSA-N 352.438 2.741 0 50 FFAA CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)ccc3n2)CC1 147938771 OSHUJUOUSPFWSP-UHFFFAOYSA-N 357.410 2.990 0 50 FFAA CC(C)C[C@H]1CN(C(=O)c2cn3c4c(cccc4c2=O)CC3)CC[C@@]1(C)O 67833867 HTRIKDVYFXOLDT-KSFYIVLOSA-N 368.477 2.817 0 50 FFAA COc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(OC)cc2)cc1 715359 ADMIWEFTECZSLA-UHFFFAOYSA-N 366.377 2.932 0 50 FFAA CCN(CC)[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)c1ccsc1 229648864 XCQQJQUQYAPSIM-ZBFHGGJFSA-N 359.561 2.697 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1nc(C2CC2)nc2c1CCC2 328637982 WFBDWYPWERKTIH-KBXCAEBGSA-N 353.470 3.249 0 50 FFAA Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H]2CC[C@@H](CO)CC2)c1 151775914 OFNWEKBPYSOUBR-KOMQPUFPSA-N 374.510 2.600 0 50 FFAA O=C(NCc1ccc(C(F)(F)F)cc1F)[C@@H]1CCCN1C1CCNCC1 216307607 KLFKMMSHWUDIMS-INIZCTEOSA-N 373.394 2.677 0 50 FFAA CC(C)(CN1CCC([C@@H](O)CCc2ccccc2)CC1)N1CCOCC1 215909714 KDHKZPGAHBRSRZ-NRFANRHFSA-N 360.542 2.803 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2Cc3ccccc3NC2=O)c1 72475976 CIRRCODDFFKLON-SFHVURJKSA-N 352.434 2.683 0 50 FFAA c1cncc(CO[C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 216044902 TZHKKRSMVVNNOY-QGZVFWFLSA-N 374.510 2.556 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4ccncc4F)C3)CCC2=O)cn1 77538276 BCIFBIBMYHNAPP-FQEVSTJZSA-N 369.444 2.728 0 50 FFAA Fc1ccc(N2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)cc1 215298797 VZMRFVTUHFQTKV-LJQANCHMSA-N 371.460 2.529 0 50 FFAA COc1nc(C)c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)s1 77343986 WHSUESLXCIFMMW-INIZCTEOSA-N 360.479 2.916 0 50 FFAA CN1CCc2n[nH]c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)c2C1 72410721 FCLQMYVNNIMXEE-UHFFFAOYSA-N 369.856 2.731 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1 72419362 HFONMNICWYKQBK-UHFFFAOYSA-N 353.466 2.748 0 50 FFAA CC[C@@](CNC(=O)[C@@H]1COc2ccccc2C1)(C(=O)O)c1ccccc1 263014812 OABAFHUOVQONRO-KKSFZXQISA-N 353.418 2.787 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 237335691 YTXHGXRYPXMVLD-NWDGAFQWSA-N 359.344 2.901 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ncccc3Cl)CC2)C1 71748560 SYLSQWXVVNKRON-AWEZNQCLSA-N 362.905 2.694 0 50 FFAA Cc1cc(C(=O)N(CC(=O)O)C2CCOCC2)c(C)n1-c1ccc(F)cc1 237667974 KVBNZUCULGUJLQ-UHFFFAOYSA-N 374.412 2.939 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 241911283 UBFJFYMZSWQJRX-FRRDWIJNSA-N 356.488 2.911 0 50 FFAA C[C@@H](NC(=O)NCc1cccnc1N(C)C)c1nc(C2CCCC2)no1 173839010 LIONPLSBMSSJQB-GFCCVEGCSA-N 358.446 2.749 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc4ncccc4c3)C2)CN1CCCO 82109235 WAULGNYXBAWXQP-QFIPXVFZSA-N 367.493 2.822 0 50 FFAA CCc1nc(CNC(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)no1 426359513 JQMTZWRZDJBXPM-UHFFFAOYSA-N 366.425 2.692 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)NCCCn2cccn2)c1 426661164 CSCJJITXDUQKHO-IBGZPJMESA-N 356.470 2.972 0 50 FFAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)c1 44921409 VQHNNACYJRZQJI-UHFFFAOYSA-N 365.364 2.891 0 50 FFAA Cc1ccc(-c2noc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)n2)nn1 95531279 ZEIURQDPVZBEGR-UHFFFAOYSA-N 371.706 2.717 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)c3cc4c(Cl)cccc4n3C)C2)C1=O 92028431 PNQABVIIJOICLL-IBGZPJMESA-N 359.857 2.916 0 50 FFAA C[C@@H](c1ccc(C(=O)NC(C)(C)c2nnc(N)s2)o1)N1CCCCC1 97217623 ABGZAPYZQWBRIZ-NSHDSACASA-N 363.487 2.925 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC4(CCNCC4)C3)cc2)c(N)n1 426588765 AWPGIQAKMZEPNZ-UHFFFAOYSA-N 350.466 2.855 0 50 FFAA OCc1csc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 92004309 ARCDGWIQVSARGB-HNNXBMFYSA-N 355.467 2.659 0 50 FFAA CC(C)n1cnnc1[C@H](C)NC(=O)Nc1cc(Cl)ccc1-n1cncn1 96139485 XZAMUGGTZCUITG-NSHDSACASA-N 374.836 2.976 0 50 FFAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccc(=O)[nH]c1 95516924 NFMKIYOXXLEDDY-UHFFFAOYSA-N 371.456 2.541 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1 178264824 KAEAQLSUBAIYLU-JTQLQIEISA-N 360.635 2.968 0 50 FFAA O=C(c1ccn2cnnc2c1)N1CCCN(CCCc2ccccc2)CC1 97447009 NHCMFFSMBRSVMR-UHFFFAOYSA-N 363.465 2.510 0 50 FFAA O=C1CC[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1ccccn1 91461479 MJAKYRIAIIISIL-CQSZACIVSA-N 374.404 2.914 0 50 FFAA Cc1nc2cc(CNC(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)ccc2n1C 91745933 HSLKHOOVWSUCBO-HNNXBMFYSA-N 366.396 2.763 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91932767 KAKDRNWUARTLHK-ZDUSSCGKSA-N 353.344 2.626 0 50 FFAA COc1cccc(-c2ccccc2NC(=O)N2CCOC[C@@H](CO)C2)c1 96133317 DLDZLZZYBCHQBB-OAHLLOKOSA-N 356.422 2.835 0 50 FFAA COc1cccc(-c2ncc(-c3cn([C@@H](C)c4nncn4C)nn3)s2)c1 91755236 KNOTXVXMVXNNAE-NSHDSACASA-N 367.438 2.815 0 50 FFAA CCOc1ccc(NC(=O)N2CCCN(C(C)=O)CC2)cc1-n1cccc1 96138016 VDKUUMUFEBWUBU-UHFFFAOYSA-N 370.453 2.962 0 50 FFAA c1csc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 95367303 MUKZTKWQLWRHAV-BMGDILEWSA-N 355.463 2.938 0 50 FFAA COc1ccc(OC)c([C@@H](C)NC(=O)NC2(C(N)=O)CCCCCC2)c1 534661975 BMHQDZXBVSUMKU-CYBMUJFWSA-N 363.458 2.642 0 50 FFAA CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1)C(=O)O 184902488 QWQYPWCEDYVGJX-ZDUSSCGKSA-N 352.412 2.746 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N2CCC[C@]3(CCN(C)C3)C2)c1C 299769070 ITISKVDHZFYWHJ-HXUWFJFHSA-N 374.485 2.530 0 50 FFAA CNc1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)ccn1 299784767 PMVFKOJTJJQRPE-FUHIMQAGSA-N 359.470 2.702 0 50 FFAA CC[C@@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 299766356 CZFZKJISMHLTAG-IAQYHMDHSA-N 373.840 2.832 0 50 FFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cnc(C2CC2)nc1O 825573671 BKQIAFFOPFSJJW-UHFFFAOYSA-N 371.828 2.952 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)NCCC(=O)N1CCCC1 584888763 ANZALIJGSNKZPG-UHFFFAOYSA-N 367.877 2.893 0 50 FFAA CCc1nccn1CCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 952985409 BMRJKQOQQKMUAN-UHFFFAOYSA-N 356.470 2.947 0 50 FFAA O=C(CCc1cn[nH]c1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565505547 QAMMXPIOHZCDKW-DBXWQHBBSA-N 367.449 2.839 0 50 FFAA Cc1cc(C(C)C)nc(N2CCN(S(=O)(=O)CC3CCCC3)CC2)n1 185284273 RYWMXEUFXVWIIQ-UHFFFAOYSA-N 366.531 2.550 0 50 FFAA CC(C)(C)S(=O)(=O)N1CCC(NCc2cccc3cccnc23)CC1 276878714 DNOYFPYRWZZVGY-UHFFFAOYSA-N 361.511 2.917 0 50 FFAA Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]c1C1CC1 728070809 HMPFGVIQGQZBNM-UHFFFAOYSA-N 374.466 2.632 0 50 FFAA CCCOc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1Cl 1529139743 RFOXXDJOGUCNRB-CRAIPNDOSA-N 361.873 2.954 0 50 FFAA Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=N)NC3=O)c2)cc1 5092834 RRACJJCNYLVANO-GDNBJRDFSA-N 374.443 2.901 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CC12CCOCC2 1800416032 LGFCFGDINAZCGH-OAHLLOKOSA-N 351.830 2.612 0 50 FFAA CCOc1cc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc(Cl)c1OCC 1772712462 MRLREVUOUYREDD-DNVCBOLYSA-N 369.889 2.968 0 50 FFAA O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccccc1 5050481 LHIYJTMDFFOFHZ-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CCCN(C[C@@H]1CCCO1)C(=O)c1cn(CCCc2ccccc2)nn1 11818023 ATNPLSIDFOYQBV-SFHVURJKSA-N 356.470 2.942 0 50 FFAA COc1ccc(/C=C/C(=O)NCc2nnc(SCC(C)C)n2C)cc1 12128733 BNJWLBOPKRVWOD-JXMROGBWSA-N 360.483 2.901 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ocnc4C)C3)C2=O)c1 12701886 XVLKUVXNPGWXED-NRFANRHFSA-N 367.449 2.946 0 50 FFAA CCc1c(O)nc(SCC(=O)N2CCCCC2)n(-c2ccccc2)c1=O 16513605 VMYAPDKHNSGIIQ-UHFFFAOYSA-N 373.478 2.605 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 19789686 IIEQQRAEIMCDOW-UHFFFAOYSA-N 362.336 2.802 0 50 FFAA Cc1cccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 169772287 USORNMMYKXAGNX-UHFFFAOYSA-N 350.344 2.766 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1ccc(OC)c(OC)c1Cl)C2 1857675768 FCIRLCHKYRGDSW-KRWDZBQOSA-N 354.834 2.774 0 50 FFAA Cc1cc(C)c(-c2nc(C3CCOCC3)nn2CCc2cnc[nH]2)cn1 1857675722 DBRYKUMIMLILAQ-UHFFFAOYSA-N 352.442 2.817 0 50 FFAA CN(C)S(=O)(=O)CCn1ccnc1-c1ccc2cccc(Cl)c2n1 1857696146 OXSJBDPESNDSIH-UHFFFAOYSA-N 364.858 2.643 0 50 FFAA CCOCCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)cc3)C[C@]23CC[C@H]1O3 1857716298 GGFYEUPOHZOYLT-GPQLQYNLSA-N 372.509 2.517 0 50 FFAA COc1ccc(-c2nccn2CC[C@@H]2CNCCO2)cc1CN1CCCC1 1857727432 QWKADNWREIRTFX-LJQANCHMSA-N 370.497 2.533 0 50 FFAA COc1ccccc1CC(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857727963 HJXICROUDWEDGT-IRFCIJBXSA-N 366.461 2.568 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Nc3ccc(F)c(F)c3)C[C@]23CC[C@H]1O3 1857730997 HEWGKQWEAVUQMC-TVFIUFHYSA-N 351.397 2.538 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 1857741594 ZVVMNKCTQUELID-GFCCVEGCSA-N 368.466 2.905 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCNC1 333852112 NTNJEKVWNPMPCZ-JSGCOSHPSA-N 358.891 2.501 0 50 FFAA COc1ccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)nn1 252499919 SJCOCLDSRZSOGD-UHFFFAOYSA-N 369.469 2.576 0 50 FFAA Cc1ccccc1CCNC(=O)[C@H](C)Nc1cnn(C[C@@H]2CCCO2)c1 364003783 PBHVIBWDQLKFEV-LPHOPBHVSA-N 356.470 2.530 0 50 FFAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC(c2nncn2C2CC2)CC1 367388208 NTPYRXSIPZSROS-UHFFFAOYSA-N 370.844 2.934 0 50 FFAA O=C(O)[C@@H](F)C1CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 910132229 MAWXVHFXBAPJIO-ZDUSSCGKSA-N 372.183 2.674 0 50 FFAA FC(F)(F)[C@]1(c2nc(-c3cocn3)no2)CCN(c2ccccn2)C1 952891994 BMOIBCFSUQGTET-CQSZACIVSA-N 351.288 2.830 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@@H](C)c2cncc(C)c2)[C@H]1c1cnn(C)c1 952887896 WPGUISMJUVIOAT-YRNRMSPPSA-N 355.486 2.774 0 50 FFAA CC(=O)Nc1ccc(CN(C)C(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)cc1 1875298879 QOKKWKFGXVXERS-LAUBAEHRSA-N 363.417 2.513 0 50 FFAA O=C1NCCCc2sc(C(=O)N3CC[C@H](c4ccc(O)cc4)C3)cc21 1875295604 KUQPGUQZCMANCA-ZDUSSCGKSA-N 356.447 2.759 0 50 FFAA CC(C)c1cc(N2CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875267563 LOQXUQYQVKSPPN-DGCLKSJQSA-N 373.423 2.559 0 50 FFAA CC(=O)N1Cc2ccc(S(=O)(=O)N[C@@]3(C)C[C@@H]3c3ccccc3)cc2C1 1875396366 DDMZXWYNTQDSIZ-UXHICEINSA-N 370.474 2.773 0 50 FFAA CC1(C)CCc2cc(CN[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)ccc2O1 1875399635 GDKLTNLWWCZIIB-BHIYHBOVSA-N 355.482 2.916 0 50 FFAA CC1(C(=O)NC[C@H](NC(=O)C[C@@H](O)c2ccccc2)C2CC2)C[C@H]2C[C@@H]2C1 1875358258 PFCRPWYJMMYCQW-AKHDSKFASA-N 370.493 2.557 0 50 FFAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 900048459 GHBBVGPAKDDJHT-LLVKDONJSA-N 350.369 2.643 0 50 FFAA C[C@]1(C(=O)Nc2cccc(Br)c2)CC(=O)N=C2C=CC=CN21 4745195 ZAVZBLYWXQXMQJ-MRXNPFEDSA-N 360.211 2.861 0 50 FFAA Cc1cn2cc(C(=O)OCCN=c3ccc(C(F)(F)F)c[nH]3)sc2n1 2325729645 IKWLRLJQPGBTKL-UHFFFAOYSA-N 370.356 2.809 0 50 FFAA CCN1C(=O)N(c2nnn(C)c2C)C(=O)[C@@H]1c1cc(Cl)cc(Cl)c1 2325764875 LZBCOTUYRVVRHN-LBPRGKRZSA-N 368.224 2.960 0 50 FFAA CCCCC(=O)N1CCc2ccccc2[C@@H](NC(=O)CCCN(C)C)C1 2325867945 JVEIFQQOEARBBI-IBGZPJMESA-N 359.514 2.761 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3cccc(N)c3)n2C)cc1 694050 CMAKKLYMQHJSPA-UHFFFAOYSA-N 369.450 2.804 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)c(F)c1 789359 QQGODVKWYWTJIR-UHFFFAOYSA-N 374.387 2.895 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 815633 OMQNASOQQZOSTK-GOSISDBHSA-N 374.462 2.625 0 50 FFAA CCOc1cc([C@H]2NC(=O)N(CC)C(C)=C2C(=O)OC)c(Cl)cc1O 1146986 NYQLXCBWUGRONF-OAHLLOKOSA-N 368.817 2.978 0 50 FFAA O=C(O)c1c(NCCN2CCCOC2=O)noc1-c1ccc(Cl)cc1 2356141198 XTNQRQLRJCLEGH-UHFFFAOYSA-N 365.773 2.947 0 50 FFAA C[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356145394 AJOKCASXKHEBDQ-ZDUSSCGKSA-N 362.437 2.692 0 50 FFAA COC(=O)c1cccc([C@@H]2CCCN(c3ncc4c(ncn4C)n3)C2)c1 2356166348 ULUOQDPHTGOYNI-OAHLLOKOSA-N 351.410 2.534 0 50 FFAA COc1ccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)cc1 4685685 HLWJAEQXALOXJS-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA CC[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 4833670 AJSIEHLMUSCGDN-RCAYSMOQSA-N 352.228 2.984 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)c1cccc(NCC(=O)O)c1)N(C)C 55414322 QQTOFPKBNFLASG-OAHLLOKOSA-N 361.467 2.586 0 50 FFAA O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(-c3ccccc3Cl)c12 10157282 GXMYBVSOYHCKDZ-NSHDSACASA-N 357.797 2.584 0 50 FFAA C[C@H]1CCCN(CCNC(=O)c2c[nH]c3ncc(Br)cc23)C1 225395011 IIXAAJQIYOTFKQ-NSHDSACASA-N 365.275 2.787 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@@H]2CCC(=O)N2)c1 55568925 SQWTXAXCEKAFFB-HNNXBMFYSA-N 367.405 2.555 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c2c(C)nn(C)c2n1 116706540 WPYFTPKHQNZGGR-OAHLLOKOSA-N 354.410 2.700 0 50 FFAA C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1nc(Cc2ccccc2)no1 246306242 CQJJNKFCWBBENB-SVGFKBNWSA-N 370.453 2.978 0 50 FFAA CNCC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67672885 IPYRITKHEMVESZ-UHFFFAOYSA-N 361.445 2.959 0 50 FFAA COc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)sc(C)c1Br 136114187 KFSIUOSWHXOQOV-MRVPVSSYSA-N 362.245 2.764 0 50 FFAA CCn1ccnc1CN(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67714343 XYINWSNYCOPOQB-UHFFFAOYSA-N 357.389 2.616 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2CCn2c(=O)oc3ccccc32)s1 23398425 XJKYYIRLWTYQCT-ZDUSSCGKSA-N 357.435 2.592 0 50 FFAA COc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 20274957 KCBYKCXTKIYVTB-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA O=C(c1ccccc1)[C@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 65394514 OBVMLAHSTZCTTB-KRWDZBQOSA-N 366.465 2.537 0 50 FFAA CN1CCC2(CC1)CN(C(=O)c1cc3c(Cl)cccc3n1C)CCN2C 67934584 FIWQNTBNLLVRNT-UHFFFAOYSA-N 374.916 2.684 0 50 FFAA Cn1ccc2c(NC(=O)CCc3ccc4c(c3)OCCO4)cccc2c1=O 252498485 RDBILKWWJYTOAR-UHFFFAOYSA-N 364.401 2.881 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Br)cn1 6244504 SUJXHHZUZBSWCK-UHFFFAOYSA-N 369.240 2.647 0 50 FFAA Cc1noc(C)c1CN1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71753983 UDMFRWMDYFDYKA-SFHVURJKSA-N 374.529 2.590 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cnc(C4CC4)nc3)C2)CCC1=O 77378543 VSAAQOCCQICEID-OAQYLSRUSA-N 370.497 2.999 0 50 FFAA Clc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)c(Cl)c1 36358360 CIKJRAMDJMJDFQ-UHFFFAOYSA-N 370.265 2.992 0 50 FFAA Cc1ccc(C(=O)N(C)c2ccc(OS(=O)(=O)c3c[nH]cn3)cc2)cc1 121559607 JGFATZRKKCZCKO-UHFFFAOYSA-N 371.418 2.762 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](N(C)CCN(C)C)C3)c(C)c2c1 72147094 MLXONSYYBFSDJE-QGZVFWFLSA-N 356.514 2.883 0 50 FFAA COC(=O)c1cccnc1N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72152734 PWSRVRUAIUZULD-VAMGGRTRSA-N 363.461 2.935 0 50 FFAA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C[C@@H](C)O)cc1 330951243 ICAIORUMEFIHPC-PBHICJAKSA-N 368.499 2.604 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 77385467 SLAXJNJGUJENJG-CQSZACIVSA-N 359.445 2.873 0 50 FFAA Cc1c[nH]cc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1=O 331538492 LQRXWHFFZSVSPA-OAHLLOKOSA-N 366.339 2.916 0 50 FFAA CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C1CCN(c2ncnc3[nH]cnc23)CC1 370417024 WDDIWEOIMNPZCF-CABCVRRESA-N 370.501 2.997 0 50 FFAA C[C@H]1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC12CCCCC2 332879791 MWHVXVHGGQNTDT-JKSUJKDBSA-N 356.532 2.813 0 50 FFAA COc1ccc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)n(C)c2c1 219898630 RRUUCRPKMVVDRI-APWZRJJASA-N 358.438 2.501 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 77556322 BXQJQJKFQPDFHK-UHFFFAOYSA-N 356.445 2.839 0 50 FFAA C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](CCC(=O)O)C1 263098269 ILXGTQCKTUQOMD-CHWSQXEVSA-N 366.845 2.562 0 50 FFAA C[C@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)C1CCNCC1 237561819 XYEMUJFPRTUTTJ-OAHLLOKOSA-N 356.470 2.963 0 50 FFAA CCc1ccccc1C(=O)N1CCC[C@H](Cn2cc(C(C)(C)N)nn2)C1 48436017 LYXZHSIGQAEVNO-HNNXBMFYSA-N 355.486 2.587 0 50 FFAA Cc1cccc(Cl)c1NC(=O)Cn1ncc(-c2ccccc2)nc1=O 44803941 DXXZXGOBUVVWJH-UHFFFAOYSA-N 354.797 2.906 0 50 FFAA O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@H]2CCCC[C@H]2N1 241515527 OFZWPWRJAKSZJR-BNOWGMLFSA-N 357.376 2.516 0 50 FFAA CCCCN(CC)c1ccc(C(=O)N2CCO[C@H](c3nc(C)n[nH]3)C2)cc1 173604154 PVBSZCFHFQLYJK-SFHVURJKSA-N 371.485 2.953 0 50 FFAA C[C@H](O)c1cc2n(n1)CCN(C(=O)CSCc1ccccc1Cl)C2 220289328 RLPNGHBCOHUGRZ-LBPRGKRZSA-N 365.886 2.865 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)nc(C)n1 48148163 XFOSJMYGZWPXBV-UHFFFAOYSA-N 363.421 2.594 0 50 FFAA Cc1cccc2c(NCc3ccccc3F)nc(CNS(C)(=O)=O)nc12 20256738 BTRKWBUKVCWOJB-UHFFFAOYSA-N 374.441 2.739 0 50 FFAA CSc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 82120024 VOORXDCXNVBUPI-HXUWFJFHSA-N 362.539 2.996 0 50 FFAA COc1cccc(OCC(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c1 82166303 VEPAHMSUZYBBEZ-MRXNPFEDSA-N 368.433 2.646 0 50 FFAA C[C@@H](CNC(=O)Nc1ccccc1CN1CCOCC1)Oc1cccnc1 95512452 VOAZEYNPOBVXMA-INIZCTEOSA-N 370.453 2.503 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)n1 289150618 QFBGHTWRZMGOCM-ZDUSSCGKSA-N 350.369 2.526 0 50 FFAA CCc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)o1 91985418 ZJHVVRDVDDWNSJ-OAHLLOKOSA-N 370.453 2.767 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)Nc1ccccc1OC(F)(F)F 95505936 IHFHJLBAAUVTEN-UHFFFAOYSA-N 368.377 2.778 0 50 FFAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(C)o1 91894182 HGOWZQSQEQIGFD-QGZVFWFLSA-N 374.481 2.920 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)Nc2cccc(F)c2)CC1 91487188 AEXMQMKMYRYQHK-UHFFFAOYSA-N 359.449 2.995 0 50 FFAA COc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)ncn1 91807116 HSZWFZZRTVSPCP-HNNXBMFYSA-N 350.426 2.509 0 50 FFAA CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 91412242 NYWAIXWXYBNQTC-GOSISDBHSA-N 367.829 2.757 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)c1ccc(-n2cnnc2)nc1 97813831 ZTTKLOHLTSXUGP-UHFFFAOYSA-N 373.416 2.797 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1c1cccc(F)c1 91943573 BVZRKWYBEDDGQN-JKSUJKDBSA-N 365.364 2.709 0 50 FFAA C[C@]1(CO)CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97660297 BJNOLEFKXOZTND-NRFANRHFSA-N 370.449 2.806 0 50 FFAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 90454712 QPHLYDOHVBOKRT-SFHVURJKSA-N 369.852 2.794 0 50 FFAA CC1=NC2(CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)C(=O)N1 244875061 XLYQAPGSVFNBLC-GOSISDBHSA-N 353.466 2.870 0 50 FFAA O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc[nH]n1 179345918 URVXWYSREWHVNZ-DLBZAZTESA-N 356.426 2.730 0 50 FFAA O=S(=O)(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)s1 244719205 LYSJOCQYEPNJBM-ISTVAULSSA-N 358.872 2.587 0 50 FFAA COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccccc1C 245229792 FSUIGPQIJFZONB-ACJLOTCBSA-N 357.454 2.508 0 50 FFAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCN(C2CCSCC2)CC1 244748568 OJVFPPRTSZNXBO-UHFFFAOYSA-N 365.543 2.689 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)O)C2)n1 299779556 HWOVZNJXZJAEAV-FTRWYGJKSA-N 353.422 2.829 0 50 FFAA CCn1ccc2cc(C(=O)N3CCN(CC4CC4)[C@H](CCO)C3)ccc21 299782929 UJSMKVLKAAQVEP-LJQANCHMSA-N 355.482 2.580 0 50 FFAA O=C(CN1Cc2ccccc2C1)N1CCC([C@@H](O)Cc2ccccc2)CC1 299769292 LOWHLOVYYBTRSS-QFIPXVFZSA-N 364.489 2.844 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)c(OC)n1 824640920 SERSELHVNSLKLJ-ZDUSSCGKSA-N 358.394 2.909 0 50 FFAA Cc1cccc(N2CCC(NC(=O)c3cc4c(nc3O)CCC4)CC2)c1 825218710 OCFPGPGDEYGOCB-UHFFFAOYSA-N 351.450 2.983 0 50 FFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc([C@@H]2CCCO2)s1 670469176 GSVVCSAJDDLJCN-LBPRGKRZSA-N 355.423 2.710 0 50 FFAA Cc1c(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)cnn1C1CCCC1 1336475669 ROKUEYKRUHMYLS-SFHVURJKSA-N 352.438 2.532 0 50 FFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2oc3c(C)ccc(C)c3c2C)n1 275281588 FZWKBSYGCZYZER-ZIAGYGMSSA-N 355.394 2.998 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)CCc1ccco1)CC2 277593328 GXTBWUBBVJLHMO-MRXNPFEDSA-N 373.405 2.830 0 50 FFAA COc1ccc(C[C@H](C)CN2CCN(C(=O)c3cccnc3)CC2)cc1F 170595433 BVWKZHYTNKUZGR-INIZCTEOSA-N 371.456 2.866 0 50 FFAA CO[C@](C)(C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F 192161448 HSPWATGYSJJRJX-DJJJIMSYSA-N 360.433 2.533 0 50 FFAA O[C@H]1CN(C2CSCCSC2)C[C@@H]1Cc1ccc2ccccc2n1 1616082063 HVWZBACNVPOFFE-KXBFYZLASA-N 360.548 2.919 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 1506427510 WKSNHGOBIFNUNL-UHFFFAOYSA-N 354.410 2.863 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)CC[C@H]2C(=O)Nc3ccccc32)CC1 11866619 KFOSMTLWDCILHK-OAHLLOKOSA-N 373.453 2.582 0 50 FFAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCc1ccc(F)cc1 12199136 AYWATFLUCGGJII-UHFFFAOYSA-N 369.352 2.853 0 50 FFAA CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12209750 BLZWVTVBGXNCQH-MRXNPFEDSA-N 372.490 2.640 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1nccs1)CC2 14538867 JHSLPJKWBIBNRT-UHFFFAOYSA-N 370.478 2.572 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)CN1CCCCC1 14954134 APNMACDFWOPUSM-UHFFFAOYSA-N 352.482 2.820 0 50 FFAA O=C(CCOc1ccccc1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 14960221 SSONSJGALULROP-QGZVFWFLSA-N 356.397 2.512 0 50 FFAA COc1ccccc1-n1nnc(C(=O)Nc2cccc([C@H](C)O)c2)c1C 16651357 WXUVPNAXUHCVKQ-ZDUSSCGKSA-N 352.394 2.890 0 50 FFAA CCCNC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760211 GTYULWVPJARWEH-UHFFFAOYSA-N 364.449 2.563 0 50 FFAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)/C=C/c4ccco4)C3)nn2)n1 169778607 BYFUHVXFKFFOHZ-GFUIURDCSA-N 368.397 2.531 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1CCC[C@H](O)C1)CC2 1857667192 RLMMAVKAWIOOIZ-IRXDYDNUSA-N 353.466 2.565 0 50 FFAA CCN1CCC2(CC1)OCCc1sc(C(=O)NCc3ccncc3)cc12 1857682960 MYXPCWUEPALDSX-UHFFFAOYSA-N 371.506 2.957 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CCO[C@@H]4C[C@H](CO)C[C@@H]43)oc12 1857698770 HRJKUEMOIOYGJD-DDTOSNHZSA-N 365.813 2.707 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)c2cc(F)ccc2n1 1857723117 UCNNTLYFSHWEGM-JLTOFOAXSA-N 365.408 2.753 0 50 FFAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@@]2(c3cccs3)CC2(C)C)n1 1857727267 OLKCFEDTCNGNBA-IBGZPJMESA-N 367.478 2.776 0 50 FFAA Cc1ncsc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328619759 GEMWMYRVKUNDGT-AWEZNQCLSA-N 358.467 2.740 0 50 FFAA OC1(CNCc2cc(Cl)ccc2OCc2cccnc2)CCOCC1 238140183 FJODOCVWEGGLKE-UHFFFAOYSA-N 362.857 2.945 0 50 FFAA CCOc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 12420626 OQAFDUATBZYOIV-UHFFFAOYSA-N 354.516 2.981 0 50 FFAA CN(C[C@@H](O)C1CC1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 150967075 JKCJAHTXRDYHPN-CQSZACIVSA-N 355.207 2.912 0 50 FFAA COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1 155111194 BUTIJKOJGKCTEX-UHFFFAOYSA-N 360.845 2.533 0 50 FFAA COc1ccc([C@@H](CCO)NC[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 930187837 HNVYAAUGJVOKGM-YLJYHZDGSA-N 370.449 2.630 0 50 FFAA Cc1cc(C(F)(F)F)cc(NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)n1 856773621 MUUGZOWAESKAOE-DMDPSCGWSA-N 355.364 2.802 0 50 FFAA Cc1cc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc(N(C)C(C)C)n1 1875273515 DLPNLCJUOQYFTD-OAHLLOKOSA-N 355.490 2.940 0 50 FFAA O=C(CNC(=O)c1cc(F)c(O)c(F)c1)Nc1cnc2ccccc2c1 1875264401 LTMKIXMLELCLMG-UHFFFAOYSA-N 357.316 2.587 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12 1875407470 AOUOQHAFZXOFBB-SYTBOMPTSA-N 352.478 2.977 0 50 FFAA CC(C)Oc1ncccc1CNC(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875401315 IRUBQOLEXDLAJQ-QWHCGFSZSA-N 358.442 2.555 0 50 FFAA Cc1ccc([C@H](NS(=O)(=O)c2ccn(C(C)C)n2)C(F)(F)F)o1 2325776541 WVGITEPGEXYAJW-LBPRGKRZSA-N 351.350 2.947 0 50 FFAA Cc1nc(C[C@@H]2CCNC2)sc1C(=O)Nc1nc2c(F)cccc2n1C 2325780280 VFYNYOGJVULWNB-NSHDSACASA-N 373.457 2.882 0 50 FFAA CC(C)(C)[C@@H]1CC[C@H](C(=O)O)N(C(=O)c2cc(-n3ccnc3)ccc2O)C1 2325851851 LJHDOMHARYJFGR-CZUORRHYSA-N 371.437 2.929 0 50 FFAA Cc1nc(CCC(=O)N2CCc3nc(-c4ccccc4)nn3CC2)cs1 2356139342 WJWUESPHXXMQBK-UHFFFAOYSA-N 367.478 2.728 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 4744379 XCBHYDPDIJQQGM-UHFFFAOYSA-N 352.500 2.580 0 50 FFAA in-vitro COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OC)c2)c1 6710309 ZMTDWWCGKFRQKC-UHFFFAOYSA-N 370.405 2.571 0 50 FFAA O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NC1CCCC1 55062752 NFBGWDLYYRMGHH-UHFFFAOYSA-N 355.404 2.886 0 50 FFAA CN1CCN(c2nc(O)cc(CSc3nc4ccccc4s3)n2)CC1 9058971 VEGLTXOJOURBOI-UHFFFAOYSA-N 373.507 2.836 0 50 FFAA Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1CCC(C)C 9331432 SMNJJWIXQULSQY-UHFFFAOYSA-N 354.498 2.989 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)N1CCOCC1 100273873 CFARFXUMTWQPCG-CTNGQTDRSA-N 350.418 2.785 0 50 FFAA C[C@H](NC(=O)c1cc(CN(C)Cc2ccccc2)on1)C1CCN(C)CC1 67955948 SGBICHRIVPDRKK-INIZCTEOSA-N 370.497 2.767 0 50 FFAA O=C(CCNCCc1nc2c(s1)CCC2)N1CCc2ccccc2C1 65462549 HMZIZNJHQQQYCG-UHFFFAOYSA-N 355.507 2.739 0 50 FFAA OCCc1cn(C2CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)nn1 20877454 WNSASKPCEPWKOI-UHFFFAOYSA-N 374.872 2.579 0 50 FFAA Nc1nc2c(s1)[C@H](c1cccc(OCc3ccccn3)c1)CC(=O)NC2 65456621 NDJLIFQURMFIQY-HNNXBMFYSA-N 366.446 2.851 0 50 FFAA O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C[C@H]2CCCO2)C1 247741803 OFIFYUIAHUQNPE-GXTWGEPZSA-N 368.275 2.674 0 50 FFAA CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO 20782808 GKJNVSMVTWGGQJ-SFHVURJKSA-N 356.470 2.546 0 50 FFAA CC1=NN(C(=O)CSCc2ccccc2F)[C@@](O)(C(F)(F)F)C1 6394830 HPBSYYHQRWWLMK-ZDUSSCGKSA-N 350.337 2.918 0 50 FFAA COc1cccc(C(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 67604923 FZRMGDXZYDPLIM-UHFFFAOYSA-N 369.469 2.626 0 50 FFAA CCCCOC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72147812 KASJQKHRBAJTDJ-UHFFFAOYSA-N 355.442 2.899 0 50 FFAA O=C1N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1C1CCCC1 67908629 AJCSHQWBNDSIQD-HXUWFJFHSA-N 359.445 2.601 0 50 FFAA O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2nccs2)CC1 140652707 PLCKMSYRUZZUDP-GOSISDBHSA-N 369.490 2.858 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3ccccc3O)CC2)c(C)s1 1444436 JYZOFQKVYYSUSF-UHFFFAOYSA-N 352.481 2.581 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)n1 12438800 GXBJBRHPTGZNCS-AWEZNQCLSA-N 350.426 2.538 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)C1 12442019 YJTGEFAFKQCPDX-LBPRGKRZSA-N 365.380 2.766 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(Br)nc2)C1 120476058 AVVZLGYKUODRPR-NSHDSACASA-N 370.247 2.583 0 50 FFAA c1cc(-c2nccn2CCc2n[nH]c(-c3ccncc3)n2)c2nonc2c1 71748832 KDJJCRLCPYBKHJ-UHFFFAOYSA-N 358.365 2.509 0 50 FFAA CC(=O)N[C@H](CC(=O)N(C)Cc1cc(C(=O)O)c(C)o1)c1cccs1 262427284 DKPXGJRIFZRTLK-CQSZACIVSA-N 364.423 2.574 0 50 FFAA O=C(Nc1ccc(N2CCCC2)nc1)N1CCC(Nc2cccnn2)CC1 124485245 DEEQWGJNIMQWOC-UHFFFAOYSA-N 367.457 2.580 0 50 FFAA O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cn(C2CCNCC2)nn1 238128405 SMHAFBIKRFLEKV-UHFFFAOYSA-N 365.441 2.599 0 50 FFAA Cn1nncc1S(=O)(=O)N1CCCCC[C@H]1/C=C/c1cccs1 330121183 BJIKKAGRGBUZLX-XEHSLEBBSA-N 352.485 2.523 0 50 FFAA CNc1nc(C(=O)N2CCC(Cc3cccc(C(=O)O)c3)CC2)cs1 72162483 BGSBPCRYRCVAKW-UHFFFAOYSA-N 359.451 2.978 0 50 FFAA Cc1n[nH]c(CCC(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)n1 77438770 XUCWWLIACGDNGU-GOSISDBHSA-N 355.486 2.861 0 50 FFAA NC(=O)c1cc(OC2CCN(Cc3cc4ccccc4[nH]3)CC2)ccn1 367700813 DAKVPILQQJOUDI-UHFFFAOYSA-N 350.422 2.705 0 50 FFAA NC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 262604252 AXOKMWQWYQEGMA-QAPCUYQASA-N 352.438 2.581 0 50 FFAA COc1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cn3)cn2)cc1 216440620 UNKTYTFGPGLQSZ-UHFFFAOYSA-N 364.449 2.834 0 50 FFAA Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](CCC(=O)O)C3)C2=O)cc1C 237628934 XUDIVKFQVCOTQN-WMZOPIPTSA-N 372.465 2.760 0 50 FFAA O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CNCCO1 237888415 ZNDMNOHXHRKMQP-ZDUSSCGKSA-N 371.384 2.680 0 50 FFAA CCNC(=O)c1ccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)cc1 242167709 WYTLQRIFOAXORK-UHFFFAOYSA-N 372.899 2.938 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCCC[C@H]1CCn1ccnc1C 82126608 VRBOYNRZQRNJFR-INIZCTEOSA-N 352.442 2.628 0 50 FFAA O=C(NCCN1CCOCC1)c1ccc(-c2cc(Cl)ccc2O)cc1 426479121 RJKNUFUBSCYCFM-UHFFFAOYSA-N 360.841 2.775 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 174868626 ULMTVCUCSJWBFH-RBUKOAKNSA-N 367.449 2.583 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(OC)cc2OC)CC1 46729197 PQKARMIFPCHGRI-UHFFFAOYSA-N 363.458 2.816 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N3CCC[C@H]3Cn3cccn3)cc2c1 426615416 IZLYWBRCDMCTOX-INIZCTEOSA-N 353.426 2.747 0 50 FFAA COCCN1C[C@@H](NC(=O)c2ccccc2Cc2ccc(C)cc2)CC1=O 222908290 UPJHUINQKJLJKI-IBGZPJMESA-N 366.461 2.563 0 50 FFAA Cc1cnccc1-c1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1 426431390 SMSWEYVOBKAFGH-OAQYLSRUSA-N 353.466 2.586 0 50 FFAA CCc1cc(CSc2nnc(CCN)n2-c2ccc(OC)cc2)on1 426667339 AGYSXFWMYOBEKM-UHFFFAOYSA-N 359.455 2.620 0 50 FFAA Cc1nccn1[C@H](C)C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91270071 PRBDUUXRAVIUHW-MRXNPFEDSA-N 372.513 2.926 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCN3CCCC[C@H]3CO)c2c1 97785208 SXKVDPMZYKRKKU-KRWDZBQOSA-N 357.498 2.599 0 50 FFAA Cc1ncnc(N2CCN(Cc3sc(N(C)C)nc3Cl)CC2)c1C 97785410 DLFAKKUPUJUBQB-UHFFFAOYSA-N 366.922 2.592 0 50 FFAA CC(=O)N1CCC[C@H](c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)C1 178351001 XYJWCAUPQWLTIV-ZDUSSCGKSA-N 357.435 2.867 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCCn2ccnc2)CC1(C)C 91426080 KMXXVVLBRBRJJM-UHFFFAOYSA-N 356.470 2.799 0 50 FFAA CCCNC(=O)c1ccc(C)c(NC(=O)N[C@@H](CO)c2ccccc2)c1 97243737 ZXWCYQTYZVWQOA-SFHVURJKSA-N 355.438 2.990 0 50 FFAA C[C@]1(C(=O)N2CC[C@@H](n3cccn3)C2)CCCN(C(=O)c2ccccc2)C1 291229429 NZBVIMJGYRMOKK-NQIIRXRSSA-N 366.465 2.599 0 50 FFAA CC[C@H](O)Cn1nc(-c2c[nH]c3ccccc23)nc1-c1ccc(CO)o1 96162492 GNAPKHNILJUJEF-LBPRGKRZSA-N 352.394 2.950 0 50 FFAA CSc1ncccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95360726 FJJMAGOPWPOZOA-HNNXBMFYSA-N 373.526 2.581 0 50 FFAA COc1cc(CNC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)ccn1 291541766 SWICTAOWKPLWPT-NRFANRHFSA-N 369.465 2.617 0 50 FFAA Cc1nc(C2CCN(Cc3ccc(Sc4nncn4C)o3)CC2)no1 97713449 VBRVTNJOWQSOGX-UHFFFAOYSA-N 360.443 2.630 0 50 FFAA O=C(CN1CCN(Cc2cccc(F)c2)CC1)Nc1ccc(Cl)cn1 96189899 WDCSCUGAEJBVSN-UHFFFAOYSA-N 362.836 2.630 0 50 FFAA COc1cc(C)ccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95502599 BJXXZLUVLKSNNM-QGZVFWFLSA-N 370.497 2.782 0 50 FFAA CCc1ncc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)cn1 95381268 VECDNMTWGIQPHU-GOSISDBHSA-N 355.438 2.739 0 50 FFAA O[C@H](COc1ccccc1CN1CCC1)CN1CCc2ccccc2C1 95499335 QPCNYJGKHSCYEO-NRFANRHFSA-N 352.478 2.690 0 50 FFAA Cc1cnc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 180414208 MPJIUYPMKPSPBQ-UHFFFAOYSA-N 371.915 2.611 0 50 FFAA COc1ccc(-c2nc(C3(S(C)(=O)=O)CCCC3)no2)cc1OC 296476043 OTXREXFIHUXSGE-UHFFFAOYSA-N 352.412 2.568 0 50 FFAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)c(OC)c1 298166422 YUIPROBNNMZQDD-MRXNPFEDSA-N 356.378 2.774 0 50 FFAA CC(C)C1=NO[C@@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1 299787074 RODUOEXEWRCTHX-OAHLLOKOSA-N 358.467 2.746 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)c1 299786120 VYLHJOPRKOBYIM-HNNXBMFYSA-N 374.485 2.670 0 50 FFAA C[C@@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCOCC1 299761624 MBCVHDIHTKGIIA-AWEZNQCLSA-N 361.417 2.598 0 50 FFAA O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 299762248 SMKOUFTZFOQBDQ-GOSISDBHSA-N 368.433 2.658 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)n2)c1 584889768 TVVABDHOUYMIMA-HNNXBMFYSA-N 366.425 2.857 0 50 FFAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 408473610 CQUFENNELLUHJC-RBUKOAKNSA-N 356.466 2.697 0 50 FFAA CN1[C@H]2CCC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccccc3OCCO)c12 75991307 QNZGMVRLMXFYPD-DYVFJYSZSA-N 364.449 2.655 0 50 FFAA Cn1c([C@@H]2CCCN2Cc2noc(C3CCOCC3)n2)nc2c1CCCC2 276056177 TXDOTELTPBSYMD-KRWDZBQOSA-N 371.485 2.913 0 50 FFAA COC(=O)C[C@@]1(NC(=O)CCCCOc2cccc(C)c2)CCCOC1 170598012 DYQZUIOCWDPXSO-FQEVSTJZSA-N 363.454 2.773 0 50 FFAA O=C(Nc1ccc2c(c1)C[C@@H](O)C2)c1ccc(OC[C@@H]2CCCO2)cc1 170618094 CHZVIFJYCAMOQO-ICSRJNTNSA-N 353.418 2.956 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cn(C(C)(C)C)nn1 191147685 RBRBKHJAQBSHIU-UHFFFAOYSA-N 352.442 2.766 0 50 FFAA C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1 193340275 PSOXCAUQDXRNLD-ZDUSSCGKSA-N 357.458 2.997 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CC[C@@]3(C(=O)O)CCCN[C@@H]3C2)c1 1529126331 CCHNPLSQNKKOTI-NQIIRXRSSA-N 368.481 2.722 0 50 FFAA CCCCc1ccc(C(=O)N2CCC3(CC2)C[C@](C)(O)[C@@H](O)CO3)cc1 1704341518 VREAIHWQOPYWCG-ICSRJNTNSA-N 361.482 2.536 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)n(C)n1 12303015 STNHZVJUGZWLIM-UHFFFAOYSA-N 355.829 2.971 0 50 FFAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12554829 LJKQKDYVDPAQFF-OAHLLOKOSA-N 357.429 2.984 0 50 FFAA COc1ccccc1OCCCN1C(=O)[C@H](NC(C)=O)c2cccc(C)c21 18240363 RDBAWPHBAIYDPL-LJQANCHMSA-N 368.433 2.997 0 50 FFAA CCOCCNC(=O)C[C@@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857700677 FLZVDHOOCTVKCU-AWEZNQCLSA-N 361.442 2.596 0 50 FFAA O[C@H](CN1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1)C1CCNCC1 1857673572 VUSUFYUNKBCBAC-JOCHJYFZSA-N 368.525 2.540 0 50 FFAA O=C(CCC1CCC1)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CC=CC3)C2)C1 1857690299 FYRXMKOBPQPXBR-DENIHFKCSA-N 374.525 2.735 0 50 FFAA CCC(CC)C(=O)NC[C@H]1[C@H]2CN(Cc3cnsc3)C[C@]23CC[C@H]1O3 1857716635 NYZAZYRVYAAOSS-DODZYUBVSA-N 363.527 2.675 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3[C@H](CNC(=O)CC(C)C)[C@H]4CC[C@]3(C2)O4)cc1 1857725142 KLNDCAYAXPWFEJ-JZJXAQOMSA-N 370.493 2.777 0 50 FFAA CC(C)CCC(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857730934 DALLRHQQKCBUGL-ICSRJNTNSA-N 362.518 2.611 0 50 FFAA COC(=O)c1cnc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cn1 1875242831 DNPCBAZEVGVNRG-MOPGFXCFSA-N 355.438 2.861 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)N[C@H]3CO[C@@H]4[C@H](O)CO[C@H]34)cc2)cc1 1875245271 RXNLRZJFWDCGFJ-DOIPELPJSA-N 367.445 2.563 0 50 FFAA O=C(c1cc2ncccn2n1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210194135 DQONGAIFMKMICU-QUCCMNQESA-N 372.428 2.873 0 50 FFAA COc1ccc(C[C@@H](C)CNC(=O)c2cnc3n[nH]c(C)c3c2)cc1OC 124945957 QGGMFYDKRXFPBW-GFCCVEGCSA-N 368.437 2.892 0 50 FFAA CCOc1ccncc1S(=O)(=O)N1CCc2cc(Cl)ccc2C1 332525429 OKWWXKFATBMAOJ-UHFFFAOYSA-N 352.843 2.881 0 50 FFAA Cn1cc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)c(C2CCCCC2)n1 333239956 DPJXKCMPYJKCBZ-PKOBYXMFSA-N 374.529 2.826 0 50 FFAA Cc1sc(=O)n(CC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1C 131809258 XQYNMKCASSZDRO-OAHLLOKOSA-N 373.522 2.650 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1 1875373739 NJIYHSNFAQLLKI-UHFFFAOYSA-N 368.437 2.721 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2cccc3[nH]ccc23)CC[C@@H]1C(F)(F)F 886066054 RSJPTMKVPCAVFE-IAQYHMDHSA-N 353.344 2.840 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(c3nc4cc(F)ccc4o3)C2)ccn1 886062830 PSNZCUHSYAJXPE-MRXNPFEDSA-N 370.384 2.656 0 50 FFAA COc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(c3nc(C)no3)C2)cc1F 888098193 GLJBEXSDLVFKQM-LIRRHRJNSA-N 359.401 2.649 0 50 FFAA COc1cccc(C(=O)NC(=O)Nc2nc(C)cc(C(F)(F)F)n2)c1 1422709 XMFICSQTSCEULD-UHFFFAOYSA-N 354.288 2.774 0 50 FFAA O=C(Nc1ccc(Nc2nccc(-n3cccn3)n2)cc1)[C@@H]1CCCO1 2325733789 AXZNZVIKZKPEDG-HNNXBMFYSA-N 350.382 2.523 0 50 FFAA CC(C)(Oc1cccc(-c2nc(=O)o[nH]2)c1)C(=O)NC1C(C)(C)C1(C)C 2325849979 HXFCYOGPBDTMQF-UHFFFAOYSA-N 359.426 2.738 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)CC1 2325883360 WTWRJBINXRGLJZ-OAQYLSRUSA-N 370.493 2.692 0 50 FFAA CCOC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)(C)C)C1 885739 QSRBNXQAMGSJDM-KRWDZBQOSA-N 352.818 2.840 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C1CCN(c3ccc(F)c(F)c3)CC1)C2 2356151918 GUPBYGFZDIKSGO-LIRRHRJNSA-N 352.425 2.528 0 50 FFAA COC(=O)[C@@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)C 409886548 ZZUZVDWWBHBKPV-NSHDSACASA-N 371.315 2.683 0 50 FFAA CCC(=O)Nc1cc(NC(=O)CSc2nccc(C)n2)ccc1OC 10230965 DZNWLCNHDBDYEN-UHFFFAOYSA-N 360.439 2.873 0 50 FFAA O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2nc(O)oc2c1 416379225 VOZPATUEYIRGDK-RKDXNWHRSA-N 364.345 2.933 0 50 FFAA Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)on1 248424595 NOFFUKZXGBJVCS-VXGBXAGGSA-N 371.363 2.862 0 50 FFAA CCCCN1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1=O 55281807 KARUIPZVIVWZMY-UHFFFAOYSA-N 359.455 2.681 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)N(C)[C@H](C)c2ccon2)n1 55183041 ARCFOEBLSUPOKU-GFCCVEGCSA-N 356.382 2.885 0 50 FFAA CN1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CC1 20059425 KEYQCDLJLUWGHI-UHFFFAOYSA-N 350.875 2.649 0 50 FFAA Cc1cccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 65363587 LTBYZYZCQJYCBF-MRXNPFEDSA-N 372.490 2.734 0 50 FFAA CCCCn1ncc2c1NC(=O)C[C@H]2c1cc2c(cc1OC)OCCO2 65407680 YXNKTTXKPWKMLB-LBPRGKRZSA-N 357.410 2.937 0 50 FFAA CCn1c(C2CCNCC2)nn(Cc2nc(-c3cccs3)oc2C)c1=O 65506716 SCSWHWOTNZJFGI-UHFFFAOYSA-N 373.482 2.605 0 50 FFAA CC(C)C[C@H]1CN(C(=O)COc2ncnc3ccccc23)CC[C@@]1(C)O 67975786 WGNMIJBAUPBDRY-MGPUTAFESA-N 357.454 2.654 0 50 FFAA CCOc1ccccc1CC(=O)N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 72429631 UEQDBPUHSSACEH-CALCHBBNSA-N 360.498 2.728 0 50 FFAA Cc1ccc(OC2(C(=O)N(Cc3cnn(C)c3)C(C)C)CCNCC2)cc1 65462142 KDKOVHCGURQWPJ-UHFFFAOYSA-N 370.497 2.667 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)CCN2Cc3ccccc3C2)s1 23251782 LZBRVSFWZFWQOL-MRXNPFEDSA-N 369.490 2.916 0 50 FFAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(C(C)C)[nH]n1 409414295 PABBOYZUJGTPMC-APWZRJJASA-N 362.518 2.886 0 50 FFAA C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](c2ccncn2)C1 229495430 QMXCSIZMBJBDDQ-HUUCEWRRSA-N 356.495 2.691 0 50 FFAA FC(F)c1nnc2ccc(N3CC[C@@H](n4cnc5c4CCCC5)C3)nn12 330314228 XTLITMQGIGOEEK-LLVKDONJSA-N 359.384 2.589 0 50 FFAA Cc1ccc(-c2cn(C[C@H]3CCCN(c4cc(C)nc(N)n4)C3)nn2)cc1 65462354 ACQXCJUOEAYMHP-INIZCTEOSA-N 363.469 2.851 0 50 FFAA C[C@@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@@H](C)O1 2775031 LXLLITBRTAHXKW-NXEZZACHSA-N 350.369 2.794 0 50 FFAA CC[C@@H]1CN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1O 252476884 DEFNHUZYJQIROX-LZLYRXPVSA-N 356.470 2.519 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2coc3c2C(=O)CCC3)CCC(=O)N1CC1CC1 71750373 MSORYMANPRSGCF-INIZCTEOSA-N 372.465 2.908 0 50 FFAA CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 328631662 RGBINYYMMSQNDV-HNAYVOBHSA-N 373.501 2.824 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](N2CCN(C)CC2)C1 215777075 BMWOHRCPEFVJKG-OAHLLOKOSA-N 358.313 2.824 0 50 FFAA Cc1cc2occ(CC(=O)NCCN3CCC[C@@H](CO)C3)c2cc1Cl 214978790 NIHYJBPHEFJNGO-CQSZACIVSA-N 364.873 2.758 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCC[C@H](N(C)C)CC3)n2)c1 72165794 GHZHCUUEDWYACS-KRWDZBQOSA-N 356.470 2.920 0 50 FFAA Fc1cccc(-c2nnc(CN3CCCC[C@H]3CCN3CCOCC3)o2)c1 72154296 HJUPJDAUSLZNIS-SFHVURJKSA-N 374.460 2.953 0 50 FFAA CC(C)c1csc(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)n1 72421627 GYOLAMOFSMZSJF-UHFFFAOYSA-N 357.483 2.872 0 50 FFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 72156770 IELYQJAJXCKOAO-QGZVFWFLSA-N 373.884 2.807 0 50 FFAA CCCc1nc(N2CCc3[nH]nc(C4CCC4)c3C2)c2cnn(C)c2n1 72431643 QTTFRZMFUOLUBY-UHFFFAOYSA-N 351.458 2.869 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)s1 219863845 GMJIECWWUJCPFK-CHWSQXEVSA-N 366.464 2.511 0 50 FFAA COCCc1cc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)n(C)n1 127703309 UNXVUKRLZPPREC-QGZVFWFLSA-N 360.433 2.987 0 50 FFAA O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1[C@H]2CC[C@H]1COC2 333581547 KETCULMZTTWVQR-MWODSPESSA-N 371.206 2.595 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 77357813 DTADICLTAORKDX-KRWDZBQOSA-N 350.846 2.721 0 50 FFAA COc1c(F)ccc(F)c1C(=O)N[C@H](C)c1nc(C)c(C(=O)O)s1 262747027 IYOOXANETPPZMA-SSDOTTSWSA-N 356.350 2.928 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CC[C@@H](OCC(C)C)C2)C1 158804027 PCJFKDNTDQHOTC-IAGOWNOFSA-N 361.486 2.730 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCC2(CC1)C(=O)Nc1ccccc12 72153102 OGQBUKIPBXYPPO-UHFFFAOYSA-N 359.813 2.773 0 50 FFAA Cc1cnc(NC(=O)N2CCN(c3ncnc4ccsc34)CC2)s1 174516455 CXUZEKJWBWNZAQ-UHFFFAOYSA-N 360.468 2.810 0 50 FFAA CCOc1ccc(Cc2nnc(S)n2CCCOC)cc1OCC 17072955 CMXRQGJTKFBCQN-UHFFFAOYSA-N 351.472 2.992 0 50 FFAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c2ccccc12 176749441 ARJFEFGOPLJGRR-HNNXBMFYSA-N 372.450 2.643 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)cc2c1 223588301 FYXLWSVNEKNJTH-UMSONDCASA-N 365.477 2.833 0 50 FFAA CCn1cc(CNC(=O)N2CCN(c3nc4ccccc4s3)CC2)cn1 426386259 DRKDPWCTXMUNCP-UHFFFAOYSA-N 370.482 2.545 0 50 FFAA COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1 96136945 AHHOCKBOFJVMKC-UHFFFAOYSA-N 351.454 2.636 0 50 FFAA CNC(=O)c1cc(NC(=O)N2CCCC[C@H]2CN2CCCC2)ccc1OC 426394773 YXKRZVCYXSRFSM-INIZCTEOSA-N 374.485 2.537 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NS(=O)(=O)N(C)C 91620742 NCTZYEHAQWMFLO-OAHLLOKOSA-N 362.499 2.590 0 50 FFAA COc1ccc2c(C)c(C(=O)NCc3nc(-c4ncccn4)no3)oc2c1 92062296 CDTJGTHGQWIUQH-UHFFFAOYSA-N 365.349 2.520 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCN2CCCC2=O)C1 91536441 RUEZLCREVLATKM-NRFANRHFSA-N 372.465 2.599 0 50 FFAA COc1c(C)cc(C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1 91679331 KXMSQKBJNFMRRA-UHFFFAOYSA-N 360.498 2.509 0 50 FFAA CC1(C)CN(C(=O)NCc2nccc(C(F)F)n2)C[C@@H](C(F)(F)F)O1 291615433 BPFVCGDENCJVPK-VIFPVBQESA-N 368.306 2.666 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(CC(C)C)nn1C)C2 95524680 MMQSICFDXKNRTJ-AWEZNQCLSA-N 357.454 2.608 0 50 FFAA CCCn1ncc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1C 95527715 CGIHBVRNLWUXAC-KRWDZBQOSA-N 354.410 2.509 0 50 FFAA CCn1nc(C2(c3ccccc3)CC2)nc1CC[C@@H](C)N1CCN(C)CC1 96140335 MOPYSCVUVNPPBJ-GOSISDBHSA-N 367.541 2.946 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)CN1C[C@H](c3ccccc3)CC1=O)C2 95512753 KIWSQXFCIFMOBS-LJQANCHMSA-N 364.445 2.596 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N(C)Cc2noc(C)n2)c1 91603563 XDVWWPXQVUZXOT-UHFFFAOYSA-N 373.409 2.616 0 50 FFAA CCSc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)cn1 91848306 FMSIEHKNFGYBFK-DLBZAZTESA-N 373.478 2.897 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)CCc2c(C)nc3ncnn3c2C)no1 244758177 OTODJRQGHWTMPT-QGZVFWFLSA-N 368.441 2.724 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(CSc2nnc[nH]2)o1 240163572 JCAGXUHMELDMPT-UHFFFAOYSA-N 372.454 2.612 0 50 FFAA COCc1nc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)no1 252488388 IQVZZSVOFQTFOR-CQSZACIVSA-N 355.398 2.646 0 50 FFAA Cc1ccc2[nH]c([C@@H]3CCCN(S(=O)(=O)c4cccnc4)C3)nc2c1 182495173 GQMMBDSSZISCJA-CQSZACIVSA-N 356.451 2.835 0 50 FFAA COCC1(CNC(=O)c2ccc(-c3ccnc(C(=O)O)c3)cc2)CCC1 534646022 HYIWDRHECAEGBC-UHFFFAOYSA-N 354.406 2.993 0 50 FFAA CN1CCC[C@@H](NC(=O)N(CCc2ccccc2)Cc2ccccn2)C1 534671155 WXGAIMXXGNHWOW-HXUWFJFHSA-N 352.482 2.930 0 50 FFAA Cc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)nc(C)n1 543469728 MRYFYTWDNYPDDX-UHFFFAOYSA-N 352.438 2.650 0 50 FFAA O=C(CCn1c(CO)nc2ccccc21)NCc1ccc2c(c1)CCCO2 299777921 FGEMVNZYUQVWQB-UHFFFAOYSA-N 365.433 2.560 0 50 FFAA O=C(CCN1CCCCCCC1)NCc1nc(Cc2ccccc2)no1 299773023 BWQVJRWCSGUNGT-UHFFFAOYSA-N 356.470 2.933 0 50 FFAA CN1CCN(CCC(=O)Nc2ccsc2C(=O)O)C[C@@H]1c1ccccc1 299798359 SNVKDLDFRIEGSK-MRXNPFEDSA-N 373.478 2.764 0 50 FFAA COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OC 299794700 MHILZLIYFZLHJV-UXHICEINSA-N 366.461 2.816 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@H]2C1 299797958 OXRJUVTVMRGNBD-MOXGXCLJSA-N 355.438 2.875 0 50 FFAA Cc1ncsc1CCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 299780483 QDWCZKQUEOTSRQ-NSHDSACASA-N 360.439 2.559 0 50 FFAA CC(C)c1ccc(-c2cccc(C(=O)N[C@H](C)Cn3cncn3)c2)nn1 299780820 CDDVDCMJHXNNSP-CQSZACIVSA-N 350.426 2.677 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)C[C@@H]1c1ncc[nH]1 1565509015 PQBFHEIYWYSTPI-UWVGGRQHSA-N 374.447 2.535 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(Cc3c(C)nn(C)c3Cl)CC[C@@H]21 1565526222 HAVYJMOZTYHMAH-ZBFHGGJFSA-N 352.910 2.995 0 50 FFAA NS(=O)(=O)c1cnc(N[C@@H](c2cccc(F)c2)c2ccccn2)s1 301899015 SQZHXHJWONXPIB-AWEZNQCLSA-N 364.427 2.526 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3sccc3C(C)=O)CC2)cc1 170594745 GYAKMUGUKTVENT-UHFFFAOYSA-N 372.446 2.558 0 50 FFAA CC(=O)N1CCC(C(=O)O[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 170609346 CVMDHDWHAOWDDP-HZPDHXFCSA-N 368.474 2.624 0 50 FFAA Cc1cccc(NC(=O)CC(=O)N2CCC(Oc3ccncc3)CC2)c1 1506419856 YWTLPJPKSATCJM-UHFFFAOYSA-N 353.422 2.789 0 50 FFAA Cc1cccc2nc([C@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)[nH]c12 1506425860 GYFGORJRXRBHQW-AWEZNQCLSA-N 367.453 2.624 0 50 FFAA COc1cccc([C@H](C)N(C)S(=O)(=O)c2cc(C(=O)O)ccc2F)c1 1506428009 WTKROKRZISEPHR-NSHDSACASA-N 367.398 2.914 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c2ccc(C)c(C)c2n1 1772815539 UDKVFSLLJXMEEY-QAPCUYQASA-N 351.450 2.710 0 50 FFAA CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 13856207 WJZRGMQEFVAEME-IYBDPMFKSA-N 369.417 2.914 0 50 FFAA COc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1OC 4567570 WLKJKKQVLFYURR-QPEQYQDCSA-N 353.330 2.777 0 50 FFAA Cc1nnc([C@@H]2CN(C(=O)NCCc3cccc4[nH]ccc34)C[C@H](C)O2)o1 1857529366 NHCWHNFQFWEYGC-SJCJKPOMSA-N 369.425 2.573 0 50 FFAA CCCOc1ccccc1C(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857717029 VCBMRISEUZOCGA-GMLUQMLDSA-N 358.482 2.657 0 50 FFAA Cc1ccc2nc3c(cc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)n3C)c(=O)n2c1 12421554 CSSOAFINMPTMBM-OKILXGFUSA-N 352.438 2.613 0 50 FFAA COCCN(C)c1ccc(CNC[C@@H]2CCN(c3ccccc3)C2)cn1 242284611 YICXICSXFNBCSV-IBGZPJMESA-N 354.498 2.780 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccccc1 156870055 SFSWULMRHNVJJP-ROUUACIJSA-N 354.454 2.958 0 50 FFAA Oc1nc(O)c2c(n1)CN(Cc1c(F)cc(C(F)(F)F)cc1F)CC2 1875311405 YGKOTTBLVWFEJC-UHFFFAOYSA-N 361.270 2.743 0 50 FFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1Nc1ncc(Oc2ccccc2)cn1 1875399143 PTMYXLMBNVGUFG-BMGDILEWSA-N 351.410 2.717 0 50 FFAA Cn1c(=O)ccc2c(NC(=O)NCCN3CCc4ccccc43)cccc21 1875341419 SDRIHEPBGLIELJ-UHFFFAOYSA-N 362.433 2.723 0 50 FFAA COC(=O)c1cc2c(=N[C@@H]3CCCc4cc(OC)ccc4C3)nc[nH]c2[nH]1 1875336614 IBCKGBCJWJBYSJ-CQSZACIVSA-N 366.421 2.535 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCc3nc(-c4cc(F)ccc4F)cn3C2)nn1 885745017 XDOGXTZVVGUTFB-ZDUSSCGKSA-N 369.375 2.672 0 50 FFAA CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 810322 RFTOISAAJVMMCP-KRWDZBQOSA-N 352.434 2.927 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1Br 4524903 PCQDLKYDVQJWCM-GFCCVEGCSA-N 368.227 2.516 0 50 FFAA O=C(O)[C@]1(CC2CC2)CN(c2ccc(-c3ccccc3)nn2)CC[C@H]1O 2100540267 GPLUYQTZMGSTDL-YLJYHZDGSA-N 353.422 2.586 0 50 FFAA CN(C[C@H]1CC12CCN(C(=O)CN1CCc3sccc3C1)CC2)C1CC1 2325718563 SYQGOYVKOBPQKH-QGZVFWFLSA-N 373.566 2.829 0 50 FFAA Cc1cnc2n1CCC[C@H]2C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1 2325796288 GMUVUDCDKSZTHK-WCQYABFASA-N 369.391 2.737 0 50 FFAA Cc1ccccc1C(=O)CNC(=O)c1cccc(C(=O)NCC2CC2)c1 2325811648 MBFGZCVLWWJBOC-UHFFFAOYSA-N 350.418 2.748 0 50 FFAA O=S(=O)(Nc1cnn2cccnc12)c1ccc(OC(F)F)c(Cl)c1 2325818599 MDIHAQLIGSQYMU-UHFFFAOYSA-N 374.756 2.785 0 50 FFAA CCc1ccc2c(c1)[C@H](CC(=O)N[C@@H](C(=O)OC)[C@@H]1CC=CCC1)C(=O)N2 2325823730 BUNXKQDSENQDIG-SIXWZSSISA-N 370.449 2.689 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCCCCC2)cc1 818786 DFMFZAHLWBMKGY-QGZVFWFLSA-N 350.484 2.551 0 50 FFAA C[C@H](C(=O)Nc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1076404 RJKURLAYFMHTQW-LLVKDONJSA-N 353.831 2.528 0 50 FFAA COc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 1115989 RNEAJBOJUUIITK-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA Cc1ncc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)cn1 2356144471 ZHXIGXFICNECSG-NSHDSACASA-N 368.828 2.800 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 2858637 JADILTJPKLJQCH-ZDUSSCGKSA-N 363.508 2.998 0 50 FFAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCOCC 4065318 PFOMQADCLJLBHE-KRWDZBQOSA-N 362.426 2.683 0 50 FFAA CCOc1ccccc1NC(=O)CSc1nc(=O)[nH]c2c1CCCC2 4316997 FVCPZZDEPRIBRE-UHFFFAOYSA-N 359.451 2.778 0 50 FFAA COc1ccccc1CNC(=O)CCC(=O)N1CCOc2ccc(C)cc21 6798120 YQIRENPDVAKHJC-UHFFFAOYSA-N 368.433 2.826 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2ccc(CSc3ncn[nH]3)o2)n[nH]1 55099207 AZSNGKKINOLADU-UHFFFAOYSA-N 360.443 2.641 0 50 FFAA O=C(O[C@H](c1ncccn1)C1CC1)c1cccc(N2CCCNC2=O)c1 225606790 BUDVOBIIIZDKOQ-INIZCTEOSA-N 352.394 2.704 0 50 FFAA O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1cc(C(F)(F)F)n[nH]1 12299388 CSIJEBSNMYLAEU-CQSZACIVSA-N 366.387 2.865 0 50 FFAA COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3F)C2)cc1 475772361 KYUDROZWKANUQQ-AWEZNQCLSA-N 357.385 2.955 0 50 FFAA c1ccc2c(c1)OC[C@H](Cn1ccnc1-c1cnc(N3CCCC3)nc1)O2 67966637 NEFWCURGLMGCBI-INIZCTEOSA-N 363.421 2.780 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4nc(N(C)C)ncc43)[nH]n2)o1 12300952 AZCGKBXVJZAWFE-CYBMUJFWSA-N 366.425 2.642 0 50 FFAA CCn1cc(CN(C)Cc2cc3n(n2)CCCN(CC=C(C)C)C3)cn1 72145546 LGCSGDBXLGJNRU-UHFFFAOYSA-N 356.518 2.903 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2c2ccccn2)n(C)n1 77322746 ZDIFPMIHBDUTLC-KRWDZBQOSA-N 364.453 2.810 0 50 FFAA Cc1nc(C(=O)Nc2cccc3c2C(=O)NC3)nn1-c1ccc(Cl)cc1 119470938 OBQOPEBTVMLQHA-UHFFFAOYSA-N 367.796 2.725 0 50 FFAA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCC2CCOCC2)n1 218232075 UGGQHLLGXMVUPC-IBGZPJMESA-N 368.481 2.659 0 50 FFAA CC[C@](C)(O)CNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 229772582 VMAANLOPNCVZED-LXIYXOSZSA-N 353.438 2.722 0 50 FFAA CCc1ccccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72432048 FILCTTDHFPWAOY-LJQANCHMSA-N 370.493 2.927 0 50 FFAA O=C(O)COc1ccc(S(=O)(=O)N[C@H]2CCCc3sccc32)cc1 324730764 JIZBVTLYCIVSOV-AWEZNQCLSA-N 367.448 2.567 0 50 FFAA CCn1ccnc1CN(C(=O)CCC1CCOCC1)[C@H]1CC12CCNCC2 328636178 NXFKWLZXGOBDTF-SFHVURJKSA-N 374.529 2.581 0 50 FFAA Cn1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1 72474069 FWJLPPSCGPPDDS-UHFFFAOYSA-N 353.344 2.563 0 50 FFAA Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc3c2OCC3)cs1 333843218 LQZGZCHUAVBBJZ-CQSZACIVSA-N 350.465 2.912 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 237503527 IZZRKIWXQGZWGI-JWILCIIWSA-N 359.289 2.561 0 50 FFAA O=C(c1ccc2nc(O)[nH]c2n1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 333946944 VDMGBNKPPWUYCS-INIZCTEOSA-N 364.405 2.657 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)NCCc2nc(N)cc(O)n2)cc1 219616150 YNORIAJBBQBUTF-UHFFFAOYSA-N 362.433 2.636 0 50 FFAA O=C(c1ccc(F)cc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1 158443612 CBXYKEPGHVXCHK-UHFFFAOYSA-N 358.335 2.929 0 50 FFAA COCc1cccc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 377831499 NHHPQERQXRVLOH-GOSISDBHSA-N 356.470 2.848 0 50 FFAA Cc1c(-c2cc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)no2)cnn1C 215935372 DRUPGNROIQLXHW-GOSISDBHSA-N 370.384 2.736 0 50 FFAA Cc1cc(Br)cnc1NS(=O)(=O)c1cn(C(C)C)cn1 129351990 KDDIKVQECJXZGW-UHFFFAOYSA-N 359.249 2.731 0 50 FFAA CCCCCn1nc(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc2c1=O 236696642 YVFLQTZTDIXHDA-AWEZNQCLSA-N 371.437 2.524 0 50 FFAA CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@@H](C)NC(=O)C2CCCC2)no1 173450924 HJIVYWVQILPIHX-HIFRSBDPSA-N 362.474 2.942 0 50 FFAA O=C(NCc1ccc(-n2cncn2)cc1)c1ccc([C@@H]2CCCN2)s1 19146235 HDIAWRZXYXULPX-HNNXBMFYSA-N 353.451 2.683 0 50 FFAA CCn1cc(CN(CCOC)C(=O)N[C@H](C)c2nc(C)sc2C)cn1 426411458 OEBXYWVCXLGHCK-GFCCVEGCSA-N 365.503 2.896 0 50 FFAA CN(C)[C@H]1CCN(C(=O)NCc2sc3ccccc3c2Cl)C[C@@H]1O 426701489 VMFGKIODMSJVGJ-STQMWFEESA-N 367.902 2.761 0 50 FFAA CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccn(C)n3)nc21 20604891 CHKWDDAGFQBLLN-UHFFFAOYSA-N 367.331 2.722 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)NCCCn2nc(C)nc2C)cc1 95505138 LPPBMFIWDUZVDB-UHFFFAOYSA-N 367.457 2.909 0 50 FFAA COc1cc(CNC(=O)N2CCC(OCc3cccnc3)CC2)ccc1O 426599810 WAJUHBDBMPOJKC-UHFFFAOYSA-N 371.437 2.687 0 50 FFAA CN(CC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1)Cc1ccccc1F 95380189 JBZDOPNESAFYJK-SFHVURJKSA-N 370.468 2.841 0 50 FFAA O=C(c1ccc(-c2ncc[nH]2)s1)N1CCC(N2CCSCC2)CC1 97594738 YMKUOIFEIQNQNP-UHFFFAOYSA-N 362.524 2.792 0 50 FFAA COc1cc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)ncn1 91965792 ZIRNXQSMKWRLRH-MRXNPFEDSA-N 350.426 2.509 0 50 FFAA Cc1ccc(C(=O)NCc2cc(-c3ccco3)on2)cc1N1CCNC1=O 96132621 XZPLEKCMDRBTOD-UHFFFAOYSA-N 366.377 2.703 0 50 FFAA COc1cccc(CCNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1OC 426533879 BXLKRJJZICVKDY-QGZVFWFLSA-N 361.486 2.516 0 50 FFAA CCN(CCn1cccn1)C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 97594908 HLCJUEXGTRCIDT-OAHLLOKOSA-N 355.442 2.952 0 50 FFAA CC1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1 95496633 ZWEBHFHAEMHNNN-LJQANCHMSA-N 364.555 2.707 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1Cc1cc(F)cc(F)c1 92028113 DTFHCPZNICWFOK-UHFFFAOYSA-N 373.403 2.948 0 50 FFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cn1ccnc1-c1ccccc1)C2 92061868 JZEISNGUOBBXDW-IEBWSBKVSA-N 352.482 2.883 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)Cn2ncc3ccccc3c2=O)c(C)s1 91746811 UIYNZHMHAOJSJZ-LLVKDONJSA-N 356.451 2.689 0 50 FFAA CSc1ccc([C@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)cc1 95357303 PFXSSHFYKIARIB-MRXNPFEDSA-N 360.435 2.585 0 50 FFAA CCN1CCC(CC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)CC1 95497828 YAIAOBJNIGODPT-UHFFFAOYSA-N 364.921 2.501 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCCCC2)CN1CCc1ccccc1 95529012 NETNHIYHHHOPOB-UXHICEINSA-N 371.525 2.505 0 50 FFAA CCc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)n[nH]1 91830839 OFASOYJIUWBWOP-UHFFFAOYSA-N 364.453 2.632 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CC=C(c4ccccc4)CC3)nn2)CC1 244691725 JICUBDMPHLQDOJ-HDICACEKSA-N 351.454 2.650 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2cncn2Cc2ccccc2)CC1 244633662 GHEURXLTYPMBEC-HXUWFJFHSA-N 365.481 2.611 0 50 FFAA CCCS(=O)(=O)NC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 180019524 VCYHZPBTKSDGEX-UHFFFAOYSA-N 366.527 2.694 0 50 FFAA Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)on1 182815579 NOFFUKZXGBJVCS-RYUDHWBXSA-N 371.363 2.862 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 534666983 PUBXYBUEHPSSOD-LBPRGKRZSA-N 350.426 2.578 0 50 FFAA CNC[C@H]1CCN(C(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 299738459 BAJXCKZDQACSBF-CJNGLKHVSA-N 369.303 2.920 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-n4cccn4)cc3)[C@H]2C1 299764282 ZDCRPHJAPSRFBX-WSTZPKSXSA-N 355.438 2.671 0 50 FFAA Cc1ccc([C@@H](C)CCN2CCOC3(CCN(CCCO)CC3)C2)o1 828752933 TYMVVWTYMJVJNL-KRWDZBQOSA-N 350.503 2.631 0 50 FFAA CN(CC1CCOCC1)C(=O)N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 584893640 MAAJXPFASSEYTP-HNNXBMFYSA-N 365.861 2.513 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C(=O)C4CC4)C3)n[nH]2)cc1 952963515 KPHJMEKWXBSIRT-INIZCTEOSA-N 352.438 2.516 0 50 FFAA CSc1ccc2cc(CN(C)C[C@@H](C)N3CCOCC3)c(O)nc2c1 952991912 XJAKRNIBMPLEES-CQSZACIVSA-N 361.511 2.815 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)[C@@H](O)c1ccccc1)CC2 275859236 ZCOVDOWQVGTPKA-AEFFLSMTSA-N 371.506 2.690 0 50 FFAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(N2CCCC2)ccn1 189339093 LXCPWLYDYZXADJ-LJQANCHMSA-N 351.450 2.925 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)N3CCC([C@@H]4CCCO4)CC3)cn2)C[C@@H](C)O1 191112521 KTFZEQWEUWAKBG-FCEWJHQRSA-N 373.497 2.726 0 50 FFAA COc1ccccc1-c1nc(CN2CC[C@H](C)S(=O)(=O)CC2)cs1 191733343 VDYXLPPJUMTJKL-ZDUSSCGKSA-N 366.508 2.828 0 50 FFAA CN(C)c1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)n1 191953076 BIOUSMHSGMSVIJ-UHFFFAOYSA-N 354.454 2.573 0 50 FFAA Cn1c(CO)nnc1C1CCN(Cc2cc(C3CCCCC3)no2)CC1 1506413212 IJGKUPOOFQWFSE-UHFFFAOYSA-N 359.474 2.723 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)N(C)Cc2cc3ccccc3s2)C1 1506415079 UTYQWWJNWNIKHP-CQSZACIVSA-N 368.524 2.936 0 50 FFAA O=C(c1cccnc1N1CCC(OCc2ccccn2)CC1)N1CCCC1 1704301389 XHGCTUYIRCAXTB-UHFFFAOYSA-N 366.465 2.898 0 50 FFAA c1ccc(CC[C@]23CN(Cc4cc[nH]n4)C[C@@H]2CN(c2cnccn2)C3)cc1 1772816620 QHPCICPYXFJZKM-DENIHFKCSA-N 374.492 2.771 0 50 FFAA CCc1noc(CN2CCCN(C(=O)CCCc3ccccc3)CC2)n1 1772703529 XTXHXYPNVJKVGQ-UHFFFAOYSA-N 356.470 2.689 0 50 FFAA CN1CCC(CN(CCc2ccccc2)C(=O)CCc2cnccn2)CC1 12455256 YGVYRJYMKPDVTE-UHFFFAOYSA-N 366.509 2.822 0 50 FFAA CC(C)Oc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)cc1CO 12718539 NMSRRSZHACJOJI-GOSISDBHSA-N 356.470 2.515 0 50 FFAA CCN1CCC2(CC1)OCCCN2C(=O)c1ccc(Br)o1 13691134 FHMWHOHYSBHCGV-UHFFFAOYSA-N 357.248 2.717 0 50 FFAA COC[C@@H]1CCCCN1c1ccc(C(=O)NCCCc2ccccn2)cn1 15075569 DGMMEVPBCPBCMX-IBGZPJMESA-N 368.481 2.845 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 15077235 TYRHOAUVSFFERS-AWEZNQCLSA-N 364.467 2.576 0 50 FFAA O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccncc2)cs1 16527308 NABXDEOTULGQKB-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 18093822 KVHLICAWTLDEGX-INIZCTEOSA-N 364.467 2.840 0 50 FFAA Cc1ccc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c(O)n1 1857697711 JLQWCQZZFKBGGY-UHFFFAOYSA-N 362.433 2.737 0 50 FFAA COCCn1nnc([C@@H]2CN(CCC3=C(C)CCCC3(C)C)CCO2)n1 1857736599 NVEMKPKJHOTILF-KRWDZBQOSA-N 363.506 2.610 0 50 FFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857709218 LLGCNQWYRJSFGZ-DLBZAZTESA-N 356.422 2.870 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cscn3)[C@H]3CC[C@]2(C1)O3 1857717552 OWSJNRAXRVEZFM-BUIAKZPTSA-N 361.511 2.709 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CN[C@@H](C)CCc2ccco2)CC(=O)N1C 328627758 NBCIKMWIKARHHQ-ZSOFBXJNSA-N 358.486 2.760 0 50 FFAA C[C@@H](Nc1cc(Cl)cc2c1OCC2)C(=O)Nc1sccc1C(N)=O 164407699 QMLJJFGGMZADRX-MRVPVSSYSA-N 365.842 2.874 0 50 FFAA O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1ccnnc1 814163329 COVJCUGMDUHHPT-UHFFFAOYSA-N 368.418 2.671 0 50 FFAA Cn1cc([C@@H]2CSCCN2C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cn1 927625737 DLSDGJOWCLNZEJ-GJZGRUSLSA-N 366.531 2.813 0 50 FFAA O=C1C[C@H](C(=O)N2Cc3ccc(O)cc3C2)CN1Cc1ccccc1Cl 862607840 IKEDFMGWKJESEA-INIZCTEOSA-N 370.836 2.937 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N1CCOC[C@H]1c1ccccc1 1875264141 SVIBMUVHCHLMGL-INIZCTEOSA-N 357.410 2.596 0 50 FFAA COCc1sccc1C(=O)N[C@@H]1CCC[C@H](NC(=O)[C@H](C)SC)C1 1875333006 UTBFSQXVDFNJID-RWMBFGLXSA-N 370.540 2.803 0 50 FFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1O 4626367 RKNCTERLSJFSRR-UHFFFAOYSA-N 353.403 2.873 0 50 FFAA C=CC(=O)NCC(=O)N1CCC(C)(c2cccc(Br)c2)CC1 2325888998 MEKGNXOYLHCJIF-UHFFFAOYSA-N 365.271 2.631 0 50 FFAA C[C@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 245505363 FXLPBYKHWAMAAA-OTWHNJEPSA-N 373.545 2.718 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 858074 AATKICJGJTXIHV-WBVHZDCISA-N 354.406 2.876 0 50 FFAA CCCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)n1CC 7604939 DXZCNEFOHUVRLS-UHFFFAOYSA-N 364.471 2.999 0 50 FFAA CC1=C[C@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)nc2N1 100902066 QYOZLEKFBWXXNT-OWCLPIDISA-N 363.421 2.876 0 50 FFAA Cc1cc(I)ccc1OCCCN1CCN(C)CC1 20652846 XFAQYFWZAFUJCF-UHFFFAOYSA-N 374.266 2.616 0 50 FFAA CCCn1cnnc1CN(C)C(=O)CCC(=O)Nc1cc(C)ccc1F 55281848 KWKDVVWSVSKGLU-UHFFFAOYSA-N 361.421 2.513 0 50 FFAA COc1ccc(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)cn1 113585589 HYMWORUTOQRZKF-UHFFFAOYSA-N 368.481 2.896 0 50 FFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCOCc1ccccc1 50289063 CSRZVLGTAKPTPW-UHFFFAOYSA-N 365.433 2.879 0 50 FFAA CN(CCc1cn[nH]c1)C(=O)c1coc(COc2cccc(F)c2F)n1 67712736 NSXPSKAZPVVZQY-UHFFFAOYSA-N 362.336 2.570 0 50 FFAA COC(C)(C)C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1 67743252 XZKOSJROLHLFLR-UHFFFAOYSA-N 370.453 2.724 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)CN1 67641622 LXIKNJMKEFGYLD-OAHLLOKOSA-N 374.444 2.641 0 50 FFAA CC[C@H](NC(=O)Cc1nc2nc(C)cc(C)n2n1)c1nc(C)c(C)s1 65490373 QRJULZXVGWOYBC-ZDUSSCGKSA-N 358.471 2.624 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(-c2nc(C3CC3)nn2-c2ccccn2)n(C)n1 65397225 DJBQRIVPKYKAKQ-UHFFFAOYSA-N 374.452 2.958 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@H]1CC1(C)C)C(=O)N(C1CCCC1)C2 71575864 QVXQIQVLENCGLS-OAHLLOKOSA-N 357.454 2.651 0 50 FFAA CCn1nc(C)c(CCNc2nc(C3CC3)nc3c2CCNCC3)c1C 72422732 WFUFEEKXKWCIRO-UHFFFAOYSA-N 354.502 2.530 0 50 FFAA CC(C)c1cc(N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncn1 71615051 MORZFOXJIHKSIK-MRXNPFEDSA-N 371.529 2.559 0 50 FFAA O=C1c2ccccc2CN1CCC(=O)N1CCCC[C@H]1CCn1cccn1 218860336 NUMJMBZGGUNCKY-SFHVURJKSA-N 366.465 2.700 0 50 FFAA CN(C[C@@H](O)Cc1ccccc1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328635604 NMHAEDSLZJEQMM-HOTGVXAUSA-N 367.415 3.000 0 50 FFAA O=C([C@H]1CC12CCN(S(=O)(=O)c1ccsc1)CC2)N1CCCCC1 329052966 HMMPAVKWYMYXDJ-OAHLLOKOSA-N 368.524 2.551 0 50 FFAA O=C(Nc1ccccc1N1CCC(O)CC1)[C@H]1Cc2cc(F)ccc2O1 129784762 CUIXVEPYRRTMRT-LJQANCHMSA-N 356.397 2.729 0 50 FFAA CN(CCO)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 155338225 GTWAESZLIKWQLV-UHFFFAOYSA-N 366.461 2.839 0 50 FFAA CCCOc1ccc(CCC(=O)N2CCOC[C@@H]2c2nc(C)no2)cc1 155551385 BIALMWLFQSSMME-QGZVFWFLSA-N 359.426 2.700 0 50 FFAA O=C(CCn1cncn1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 77302390 DSBWBNHBBBFJNB-UHFFFAOYSA-N 368.416 2.604 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc1 126430811 AGEGEORGUFFEPS-ROUUACIJSA-N 371.481 2.999 0 50 FFAA NC(=O)c1cccnc1N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 72122513 ODWGKUDSDXOVPA-QFIPXVFZSA-N 364.493 2.716 0 50 FFAA Cn1cnc(-c2cccc(NC(=O)c3cccc(OCC(F)F)n3)c2)n1 126752917 XDIJGISKACAZPE-UHFFFAOYSA-N 359.336 2.773 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](Cn1cccn1)c1ccccc1 78144500 RZBOGFUWFMOEHO-LJQANCHMSA-N 351.454 2.724 0 50 FFAA COc1ccc(C(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)cc1Cl 72148811 TWURPFYRQLHIBA-KRWDZBQOSA-N 352.818 2.796 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1CCOCC(F)F 372748188 XDRGDRCTVKSFFM-GFCCVEGCSA-N 371.350 2.717 0 50 FFAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(COc2ccccc2F)[nH]n1 71589477 IOZGGJHVOZLKRG-UHFFFAOYSA-N 369.400 2.612 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 237471047 DNRDSFMDDPLLMW-KOLCDFICSA-N 364.799 2.894 0 50 FFAA CCCc1cc(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OC)no1 72432129 HZSCSXUGLARPSQ-MOPGFXCFSA-N 369.465 2.748 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2c(C)cc(C)n(C)c2=O)CC1 82121312 QEJQANINGUFIPG-UHFFFAOYSA-N 370.449 2.694 0 50 FFAA CCNc1cc(C)nc(NCCNC(=O)Nc2cc(F)cc(F)c2)n1 82230385 HGCHAEHHIRTPGJ-UHFFFAOYSA-N 350.373 2.729 0 50 FFAA Cc1c([C@@H](NC(=O)Cn2cc(C(=O)O)nn2)C(C)C)oc2ccccc12 263370744 YAMXFDNFVWGHCH-INIZCTEOSA-N 356.382 2.544 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)N[C@@H](C)Cn3cccn3)c2)n1 426490045 JKJGDLPUJPRMKU-INIZCTEOSA-N 366.469 2.916 0 50 FFAA CN(Cc1nc(O)n[nH]1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 426412753 KIXZKKNYDBLZKB-UHFFFAOYSA-N 374.404 2.635 0 50 FFAA COc1ccc2cc(NC(=O)N3CCN(C4CCOCC4)CC3)ccc2n1 175683494 WKNWZTSSANDWEA-UHFFFAOYSA-N 370.453 2.572 0 50 FFAA O=C(c1cnc(COc2ccccc2)nc1O)N1CCC[C@@H]1C(F)(F)F 91412428 DIENCIBJLVCJHW-CYBMUJFWSA-N 367.327 2.928 0 50 FFAA O=C(c1ccc2c(c1)ncn2CCO)N1CCCC[C@H]1c1cccnc1 97797351 WIRHPNOWNSTITB-SFHVURJKSA-N 350.422 2.791 0 50 FFAA O=C(c1cnn2ccccc12)N1CCC(c2nnc3n2CCCCC3)CC1 91745425 PPFXQCOOEOCOFZ-UHFFFAOYSA-N 364.453 2.672 0 50 FFAA COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)ccc1OCC(N)=O 176543071 BSFJZXSMEVPPEB-PBHICJAKSA-N 368.433 2.578 0 50 FFAA OCc1csc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 95370890 AVCJWTBBCWMFCU-CQSZACIVSA-N 355.467 2.659 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@@H](c3ccc(F)cc3)N(C)C)C2)c1 95372032 SJJJHOLLJYMEGG-LJQANCHMSA-N 358.413 2.727 0 50 FFAA O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1 96141833 YNGAQSNDBHGDKI-LJQANCHMSA-N 364.445 2.612 0 50 FFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCC(Cn2cccn2)CC1 95363083 JELJTDWYYWJKCJ-HXUWFJFHSA-N 352.482 2.903 0 50 FFAA O=C(O)[C@]12CN(Cc3ccncc3Cl)C[C@H]1CN(C1CCCCC1)C2 96139092 LWVNFRGFDZVFHQ-KXBFYZLASA-N 363.889 2.886 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCNC(=O)c1ccccc1Cl 95526962 CYVPVWHTTZYWQJ-ZDUSSCGKSA-N 362.861 2.767 0 50 FFAA COc1ccc(Cn2cnc3c(nnn3-c3ccccc3)c2=O)cc1Cl 179030957 VVENVNYKIKFFPP-UHFFFAOYSA-N 367.796 2.688 0 50 FFAA Cc1ccccc1[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 294918746 CLUUZQMGPSYLDU-NVXWUHKLSA-N 357.841 2.570 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N[C@@H]1CCCn2ncnc21 183239077 QIUVWAGJMITSCK-MRXNPFEDSA-N 354.458 2.603 0 50 FFAA CC1(C)C(=O)Nc2cc(C(=O)N3CCC(c4ccncn4)CC3)ccc21 298547248 YLWHUPOCUVRWET-UHFFFAOYSA-N 350.422 2.726 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)NCCc3cccn3C)C2)c1 534591367 VYPJJHLFIYSUHN-HNNXBMFYSA-N 357.454 2.784 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@H](C(=O)O)C3)CCCCC2)cc1OC 299741399 FQXJZCPDMZXGFE-AWEZNQCLSA-N 361.438 2.839 0 50 FFAA CNC(=O)CCN(C)C(=O)N[C@H](c1cccnc1)c1ccc(C)c(C)c1 534668930 YNJWZNHSDZUODJ-IBGZPJMESA-N 354.454 2.565 0 50 FFAA CN1CCN(CC2(CNC(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 299766734 KTFIXVFRUMHGAP-UHFFFAOYSA-N 354.857 2.628 0 50 FFAA Cc1nc(CNC(=O)c2ccc(-c3cncc(C(C)(C)O)c3)cc2)no1 584884136 JGPDBNKRNCVXRX-UHFFFAOYSA-N 352.394 2.597 0 50 FFAA Cc1csc(CNS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)n1 670437998 DZOXOLCHCBVZKN-UHFFFAOYSA-N 352.441 2.530 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)/C=C/c1cnc(N)nc1 952971920 AGQKGQMLPYXKRX-MDZDMXLPSA-N 362.433 2.900 0 50 FFAA Cc1cccc([C@@H](C(=O)Nc2ccccc2NC(=O)CN(C)C)N(C)C)c1 952966515 UOJSDYNLYLLOOS-FQEVSTJZSA-N 368.481 2.737 0 50 FFAA Cc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c2c(C)noc2n1 952975108 YCDPUMVXLGUVNZ-UHFFFAOYSA-N 364.405 2.913 0 50 FFAA COc1cccc2c1CCC[C@@H](NC(=O)NC[C@H](O)c1ccccc1)C2 1479562868 NTUHKRSQMJODEH-MJGOQNOKSA-N 354.450 2.975 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](c4n[nH]c(C)n4)C3)[nH]n2)cc1 268865014 FKOJGVHFSGANSC-AWEZNQCLSA-N 366.425 2.532 0 50 FFAA O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CNCCO1 187308519 ZNDMNOHXHRKMQP-CYBMUJFWSA-N 371.384 2.680 0 50 FFAA Cn1c(CCC(N)=O)nnc1SCSCc1ccc(Cl)cc1 170610420 OWUCATTVILKTDJ-UHFFFAOYSA-N 356.904 2.869 0 50 FFAA COC(=O)NCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 170629812 LLXXSGOJNZMFSN-HNNXBMFYSA-N 371.368 2.746 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170676573 PSMCYLGNQCMHCI-FUNVUKJBSA-N 366.343 2.768 0 50 FFAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 195530823 KFIKGKHYQVISNC-KZNAEPCWSA-N 354.450 2.746 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)CC(=O)Nc1cc(Cl)ccc1C 1506407884 SNYBQHQZPXYKGW-LBPRGKRZSA-N 363.849 2.856 0 50 FFAA Cc1[nH]nc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1Cl 1529095941 ZLNJKNSNXQNCOO-RDTXWAMCSA-N 356.857 2.955 0 50 FFAA COc1ccc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cc1F 1704278268 IMYWGQQDZAROLE-FPOVZHCZSA-N 373.424 2.715 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@H]1CC(Cc2cccc3ccccc23)=NO1 11789204 DWKJWKCBTVPRMS-HXUWFJFHSA-N 362.433 2.886 0 50 FFAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 11911591 UVVVXCQISVONOZ-MRXNPFEDSA-N 364.449 2.779 0 50 FFAA Cc1cccc(CN2CC[C@@H](N(C)CCc3cnn(C)c3)CCC2=O)c1 12191404 VERGBIMQYKNZIQ-FQEVSTJZSA-N 354.498 2.784 0 50 FFAA Cc1nc2cc(OCc3cc(C(=O)NCC4(C)COC4)no3)ccc2s1 12297726 LAFIPHLESQCDDO-UHFFFAOYSA-N 373.434 2.938 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(CN(C)Cc3ccccc3)on2)n[nH]1 12300359 ZJZLDRDTBATHGG-UHFFFAOYSA-N 353.426 2.610 0 50 FFAA CCCCn1c(CN(CC)CCO)cnc1S(=O)(=O)CCCC(C)C 12434130 GYJWBZCLDGNIMN-UHFFFAOYSA-N 373.563 2.707 0 50 FFAA CN(C)C(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 13571416 NWYWBTIZYZLNDW-SECBINFHSA-N 369.705 2.941 0 50 FFAA CC[C@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 16648645 FUKJPPWKXOCJJY-AWEZNQCLSA-N 358.891 2.800 0 50 FFAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2cccc(C)c2)CC1 4412745 FSLFAOVDQYJAJP-UHFFFAOYSA-N 367.449 2.681 0 50 FFAA CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 476259301 QYBLJZNRLDIWPM-UHFFFAOYSA-N 356.426 2.608 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nnnn1C1CC1 267076066 FLHWNYBEPXETAO-ZDUSSCGKSA-N 354.458 2.801 0 50 FFAA Cn1cc(-c2nc(CN[C@H](CCOc3ccccc3)C(=O)O)cs2)cn1 1875269010 RIWIMJSRFTUAQQ-MRXNPFEDSA-N 372.450 2.556 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(CN3CCCC3)c(Cl)c2)cn1 1875385104 MTLZBGKHMISCTJ-OSPHWJPCSA-N 360.889 2.933 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H](c2ccc(OC)cc2)c2ccco2)CC1 1875365855 BSISFKPWLRRBRA-HXUWFJFHSA-N 368.433 2.918 0 50 FFAA CC(C)(C)OC(=O)NC1CCC2(CC1)C[C@@H]2C(=O)N1CC(c2cnc[nH]2)C1 1875319929 YVJXWZYVACUKIM-RDYUPDBUSA-N 374.485 2.809 0 50 FFAA Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)CC3CC4(CC4)C3)C(C)(C)C2)c1C 1875407585 DJGQFCUTFRFDNM-OAHLLOKOSA-N 358.486 2.574 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)Cc2cc3ccccc3n2C)C12CCOCC2 888095097 OXCNSSLZNNNQHW-RTBURBONSA-N 356.466 2.811 0 50 FFAA CCOc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)cc1 11693062 HPXBNZPBHJZYRM-UHFFFAOYSA-N 371.828 2.832 0 50 FFAA N=c1nncc(-c2cccc(C(=O)Nc3cccc4c3CN(C3CC3)C4)c2)[nH]1 2325859968 RPAVAPPNIHUFGD-UHFFFAOYSA-N 372.432 2.681 0 50 FFAA C[C@@H]1CN(CCCc2cccc(OC(F)(F)F)c2)CCS1(=O)=O 2325868024 MHUPNFRLQISPDI-GFCCVEGCSA-N 351.390 2.637 0 50 FFAA CC(=O)NCc1cccc(CN(C)C(=O)c2cn3cc(C)sc3n2)c1 2325868897 PNLRFSWWANQIDU-UHFFFAOYSA-N 356.451 2.613 0 50 FFAA O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccn3)o2)CC1 2325870156 LKBPMNBQKGXIDC-UHFFFAOYSA-N 361.401 2.940 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2F)CC1 796143 OZAKVZSSXIJIFP-OAHLLOKOSA-N 358.413 2.950 0 50 FFAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)OCCc2sccc23)C1 2356156661 LZAAHMKUBHXXDP-AWEZNQCLSA-N 350.484 2.843 0 50 FFAA CCOc1ccccc1CN(CC)C(=O)c1nn(C)c(=O)c2ccccc12 55281095 KGPDTWWCPXVFNJ-UHFFFAOYSA-N 365.433 2.995 0 50 FFAA C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 9043746 PUUVGCRQVSAIAQ-VIFPVBQESA-N 361.760 2.682 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)n1 21794996 ZDJSEUJWKLHJSV-UHFFFAOYSA-N 368.485 2.822 0 50 FFAA Nc1ncc(Br)cc1CNc1ncc(Br)cn1 225814544 RPDWPURCCGIRFI-UHFFFAOYSA-N 359.025 2.591 0 50 FFAA CCc1nc2n(n1)C[C@H](NC(=O)c1cnc(-c3ccsc3)s1)CC2 114867742 USUILINNWHOUEH-LLVKDONJSA-N 359.480 2.770 0 50 FFAA O=C(NCCn1ccc2ccc(F)cc21)[C@@H]1CCCN(c2ncccn2)C1 170625274 WFUWEUQGNZQPRZ-MRXNPFEDSA-N 367.428 2.603 0 50 FFAA Clc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)nn1 65452636 HTHDBFGUAPKJQF-UHFFFAOYSA-N 371.916 2.917 0 50 FFAA COc1cccc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1 20452183 NFOCYDIGYVNFEK-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA CCc1noc(CN(CC)C(=O)C[C@@H]2C(=O)Nc3cc(C)cc(C)c32)n1 65398566 MWSUMRDDPIIENB-ZDUSSCGKSA-N 356.426 2.723 0 50 FFAA O=C1C[C@H](c2cc(F)ccc2-n2cccn2)c2c(nc3sccn23)CN1 65406845 FFDASPTVEMKIKH-CYBMUJFWSA-N 367.409 2.872 0 50 FFAA C[C@H]1C[C@@H](c2nc(-c3ccc(Cn4cnnc4)c(F)c3)no2)CCN1C 351226412 PLQSNDVRGGJGDD-JSGCOSHPSA-N 356.405 2.713 0 50 FFAA CC(C)CCNC(=O)[C@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 32072335 ZVQXPNACYOMFNA-HNNXBMFYSA-N 358.490 2.626 0 50 FFAA CC[C@H](C)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 11664924 OCVRIGWQICCTKY-KRWDZBQOSA-N 358.530 2.673 0 50 FFAA Cc1ccc(OC2CCN(C(=O)CN(C)Cc3cccnc3)CC2)cc1 77460092 XQGLIYIIXGMVBW-UHFFFAOYSA-N 353.466 2.892 0 50 FFAA O=S(=O)(N[C@H]1CC[C@H]1NC1CCCCC1)c1ccc(-n2cccn2)cc1 72478206 YRWAVZPWCBLUMC-MOPGFXCFSA-N 374.510 2.604 0 50 FFAA Clc1ccc(N2CCN(c3ccc(Cn4ccnc4)cn3)CC2)nc1 77537344 NTBCMRXUXPOLGF-UHFFFAOYSA-N 354.845 2.701 0 50 FFAA Cc1ccc(OC[C@@H](O)CNC(=O)c2cccc(-n3cccn3)c2)c(C)c1 77541381 QHHBURGBRVEQDZ-IBGZPJMESA-N 365.433 2.659 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(F)c(F)c1 219855021 TXYQZEXIUMQPOU-HUUCEWRRSA-N 354.378 2.525 0 50 FFAA CCN(C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CC1 71761342 FZPNSVRMNBVCPI-IBGZPJMESA-N 370.541 2.769 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cn1 152068983 OSTWVWUINOEZHS-AEFFLSMTSA-N 370.501 2.917 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 77564941 QKYXANINGSWEAC-HNNXBMFYSA-N 367.536 2.903 0 50 FFAA CCc1ccccc1-n1ccc2c(cnc3c(C(=O)OC)c(C)nn32)c1=O 71375543 JTRKMUHJDBYEMP-UHFFFAOYSA-N 362.389 2.691 0 50 FFAA O=C(c1cc(C2CC2)no1)N1CCC[C@H](Cc2nnc3ccccn23)C1 369122455 QOGKJSXVBOMTJH-CYBMUJFWSA-N 351.410 2.690 0 50 FFAA CNC(=O)c1ccc(Cn2ccnc2[C@H](C)Cc2ccc3c(c2)OCO3)o1 77470945 JCZMJIDECLLYEU-CYBMUJFWSA-N 367.405 2.959 0 50 FFAA NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 237999725 CQNJKBXKMZTADO-GUTXKFCHSA-N 370.419 2.560 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](CN2C(=O)CN(c3ccccc3)C2=O)C1 282321596 ZPKWOJQHKXXNRK-INIZCTEOSA-N 363.417 2.618 0 50 FFAA Cn1c(CC2CCNCC2)nnc1SC[C@@H]1CC(F)(F)C1(F)F 82125252 NSYYOYWTXFSNHX-JTQLQIEISA-N 352.401 2.740 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(N4CC(n5cccn5)C4)n3)cn2)cc1 48175505 JVKGTAQMDWUZCC-UHFFFAOYSA-N 373.420 2.596 0 50 FFAA CC(C)Cc1cn(CC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 48376267 XNWSBIPRBALOTD-UHFFFAOYSA-N 370.453 2.758 0 50 FFAA O=C(O)C1CCN(C(=O)NCCOc2ccc(Cl)c(Cl)c2)CC1 263330280 CFRSRWVNBDPRGY-UHFFFAOYSA-N 361.225 2.878 0 50 FFAA COc1ccc2nc(NC(=O)C3CCN(C(=O)N(C)C)CC3)sc2c1 48029753 ZRXZMECLNFRKRJ-UHFFFAOYSA-N 362.455 2.637 0 50 FFAA COCCN1CCC(CN(C)C(=O)N[C@H](C)Cc2cccs2)CC1 426504479 MHGZEEJLGTXYJK-OAHLLOKOSA-N 353.532 2.679 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239377944 OERNYIBFGASXJL-MWKMHJQYSA-N 350.212 2.894 0 50 FFAA O=C(O)CN1CCC(n2cnc(-c3ccccc3)c2[C@@H]2CCOC2)CC1 91663153 XBXXLYLVELRALB-MRXNPFEDSA-N 355.438 2.776 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCc1nccc(-c2ccccc2)n1 95382985 NFUURHWGZIRJHI-NRFANRHFSA-N 372.472 2.859 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(CCc2ccccc2)CC1 91325677 SBIIPZDXYQGHCC-UHFFFAOYSA-N 364.497 2.965 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1C 96152378 DEVZHSSGPUSTRZ-LVYXFOGZSA-N 371.481 2.881 0 50 FFAA CN(C)[C@H](C(=O)N1CCCN(Cc2cccnc2)CC1)c1cccc(F)c1 95384256 ICGIODYKQOGESP-FQEVSTJZSA-N 370.472 2.558 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)CCc1ccncc1)CC2 426574747 ADWJLGVYAKIHBC-SVFBPWRDSA-N 358.482 2.979 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCN(C2CCSCC2)CC1 97551434 JDLUBNGWIQFQAR-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA COc1ccc(CN2CCO[C@H](c3cccnc3)C2)cc1Cn1cccn1 97757777 BGXYLNOFIJNHHH-NRFANRHFSA-N 364.449 2.909 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(-c3cnc(N)nc3)cc2)n1 426677318 AHKRDCJINHGPJS-LBPRGKRZSA-N 366.425 2.798 0 50 FFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C(=O)O)C1 178263014 LQBXWXVBIUYMJZ-NSHDSACASA-N 364.398 2.716 0 50 FFAA CCn1cc(CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cn1 426428254 HUCQMQHEQLUFEJ-CMKODMSKSA-N 356.470 2.889 0 50 FFAA CC(C)c1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)[nH]n1 91364633 YBEICVWJOAOBCO-UHFFFAOYSA-N 353.426 2.572 0 50 FFAA COc1cccc(-c2cc(C(=O)NCc3cncn3CC(C)C)[nH]n2)c1 91808398 ANMHUNAMOBLXJW-UHFFFAOYSA-N 353.426 2.868 0 50 FFAA CC(C)c1c(C(=O)NC[C@@]2(O)CCOC2)cnn1-c1cccc(Cl)c1 178910827 LDMCJMXWVBUYBV-SFHVURJKSA-N 363.845 2.530 0 50 FFAA CCOCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 95377128 ASNWNNIBNJZGHT-GOSISDBHSA-N 358.482 2.668 0 50 FFAA CN(Cc1nc2ccccc2s1)C(=O)c1cnc(C(C)(C)C)[nH]c1=O 91892724 XKUQSSXTPLPCLB-UHFFFAOYSA-N 356.451 2.949 0 50 FFAA Nc1nc(CCNC(=O)C[C@H](c2ccccc2)c2ccccc2Cl)n[nH]1 95498244 JIILYBKZQHTYMY-OAHLLOKOSA-N 369.856 2.921 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)[C@@H]1CCCN(c2ccccn2)C1 97698779 KZMYQNHPFMWIGV-OAHLLOKOSA-N 371.510 2.671 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)[nH]n2)o1 91452295 BOIGMAPOZCXSGG-UHFFFAOYSA-N 370.453 2.843 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)c2ccc(-c3ccccc3)[nH]c2=O)no1 91935227 FWRVMKGFNYZPQW-UHFFFAOYSA-N 366.421 2.863 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2cn3cc(C)ccc3n2)C[C@H]1C(=O)O 91907422 BRQNRZWZHAJYIV-ZWKOTPCHSA-N 365.433 2.952 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)NC[C@H]1CC(=O)N(C2CCCC2)C1 244742286 OEVGEORFUURRIT-CQSZACIVSA-N 360.429 2.696 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@H]2CCCC[C@@H]12 248445189 WHYUTTJOXSSCRM-JLSDUUJJSA-N 362.495 2.877 0 50 FFAA Cc1cc(=O)n(CCN(Cc2c(F)cccc2Cl)C2CC2)c(O)n1 253536938 QXUJZULFRRARRJ-UHFFFAOYSA-N 351.809 2.714 0 50 FFAA CC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1cccc(C)n1 252484324 FUHXMKQKEVFANF-SFHVURJKSA-N 366.465 2.905 0 50 FFAA CC1CCN(Cc2ccc(C(=O)NCCSc3nccn3C)o2)CC1 299763760 RCVNUAVPXRDFFA-UHFFFAOYSA-N 362.499 2.767 0 50 FFAA O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(C2(O)CC2)CC1 651783237 URAKCVZRQYSKDQ-UHFFFAOYSA-N 365.373 2.511 0 50 FFAA COC[C@@H]1[C@H](NC(=O)c2cc(C)nc3c(Cl)cccc23)[C@H]2CCO[C@@H]12 1074562266 GVTMDGKLXLMDNG-YIBWGGGYSA-N 360.841 2.976 0 50 FFAA Cc1cc2nc(O)[nH]c2c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1C 952982507 APGIYFKAJCRSFL-GFCCVEGCSA-N 350.378 2.950 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cc(=O)nc3sccn23)cc1 952990372 XZDREZBWXCPKJZ-LLVKDONJSA-N 368.418 2.524 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952975531 WIXNTQSACHHIIM-FQEVSTJZSA-N 360.417 2.918 0 50 FFAA COc1ccc2c(C)c(C(=O)NCCS(=O)(=O)CC(C)C)oc2c1 91426210 YUPFHMKMRMHZMG-UHFFFAOYSA-N 353.440 2.550 0 50 FFAA C[C@H]1CCC[C@@H](C)N1CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 1565527987 LHDAVQCSMNVTSJ-NONVJHHQSA-N 362.445 2.715 0 50 FFAA CCCc1nc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)cs1 1565509561 DNPCSRGBLXYICH-HOCLYGCPSA-N 361.467 2.595 0 50 FFAA COc1ccccc1OCc1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)o1 408513499 HATLOCVMNPPCGD-LJQANCHMSA-N 359.378 2.804 0 50 FFAA CC(=O)Nc1ccc(CN2CCC(N3CCN(C(C)C)CC3)CC2)cc1 271184576 DIGRNHPVSRQHOB-UHFFFAOYSA-N 358.530 2.635 0 50 FFAA N#CCOc1ccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)cc1 170619538 BMFROHPBSMBPIK-UHFFFAOYSA-N 350.374 2.787 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 190563816 OOSVSUUUTUVYKX-CVEARBPZSA-N 351.516 2.549 0 50 FFAA Cc1[nH]ncc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 194491538 OMTCXYHBWUGWLG-UHFFFAOYSA-N 352.360 2.695 0 50 FFAA CCCC[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@@H](C2CC2)O1 1615965075 GHHGZEKOXKSSGJ-OALUTQOASA-N 373.497 2.728 0 50 FFAA CN(C)CCc1nnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1 1506402619 UKKAPUQYSSMYGE-UHFFFAOYSA-N 358.389 2.842 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1 1529099977 KHQSBHJCJWKLGD-UHFFFAOYSA-N 351.410 2.806 0 50 FFAA CCC[C@]1(C(=O)O)CN(C(=O)CSc2ccc(Cl)cc2)CC[C@@H]1O 1704358219 GNFVXILCOFZJJK-YOEHRIQHSA-N 371.886 2.896 0 50 FFAA CN1CCC[C@@H](C(=O)N2CCCN(c3ccnc4ccccc34)CC2)C1 1772819612 XCIWUNMVWCPRSK-QGZVFWFLSA-N 352.482 2.615 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775978899 QSJZUMVAIIEFSL-OAQYLSRUSA-N 374.448 2.690 0 50 FFAA COCC1(c2nc(COc3cccc(F)c3)nn2-c2cnn(C)c2)CCC1 1772805313 KDLXQPFNYBALDH-UHFFFAOYSA-N 371.416 2.787 0 50 FFAA Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 5396593 IOZFRXYUOREERO-UHFFFAOYSA-N 363.373 2.586 0 50 FFAA Cc1cccnc1C[C@@H](C)NC(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1 11663697 PWPUCODILGVGTE-OAHLLOKOSA-N 366.469 2.842 0 50 FFAA O=C1CN([C@H]2CCSC2)C[C@@H](OCC2CC2)CN1Cc1ccccc1 14741630 YJTYWVRKBFOTQU-RBUKOAKNSA-N 360.523 2.632 0 50 FFAA O=C(CCN1CCCC1=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 14978709 LRKMJGUOCKEWDC-QGZVFWFLSA-N 364.449 2.650 0 50 FFAA O=C(Cn1ccc(-c2cccc(-c3cncnc3)c2)n1)NCc1ccco1 19221521 XWKZAIOWZXNVMN-UHFFFAOYSA-N 359.389 2.917 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](N(C)CCc2ccccc2)C1 19228773 YDQGAVINSNCOOF-LJQANCHMSA-N 370.497 2.725 0 50 FFAA CN1CCCCC[C@@H]1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857682764 RRINPAQTHOFNPV-HXUWFJFHSA-N 366.509 2.889 0 50 FFAA C/C=C/CCCC(=O)N1CCC[C@]2(C1)CN(c1ccnc(C)n1)CC[C@H]2O 1857684441 NZUWJLOXCPOYAF-MXHCUOCRSA-N 372.513 2.711 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)o1 1857715632 AQMZTAOLYONNMB-UHFFFAOYSA-N 368.437 2.785 0 50 FFAA Cc1cncc(C(=O)N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)c1 1857716246 DBRSCRUMGRADQZ-UHFFFAOYSA-N 364.449 2.883 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CC3)C[C@]23CC[C@H]1O3 1857729019 RFMUSSOIICHKRG-XKGFGPFHSA-N 374.912 2.939 0 50 FFAA O=C(O)c1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)cc1 216610972 YIBVKJKYSCAGMM-QUCCMNQESA-N 351.450 2.876 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cc(Cl)cn1C 408473577 ALQWHZRUUJACPC-HUUCEWRRSA-N 350.850 2.631 0 50 FFAA CCn1nc(C)c(CN2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)c1C 249698642 VYPCZTWKNRRXDT-MOPGFXCFSA-N 357.454 2.829 0 50 FFAA O=C(NC1C[C@H]2CC[C@H](C1)C2)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1875341215 LFLBUBGQBRKDNJ-GRDNDAEWSA-N 370.449 2.506 0 50 FFAA Cc1[nH]c(-c2ncccn2)nc(=NCCC2CCN(C(C)C)CC2)c1C 1875325944 HICVRGCEGASQIV-UHFFFAOYSA-N 354.502 2.895 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)C1 1875301556 MRCMLNGYIVXHSO-XJKSGUPXSA-N 360.429 2.969 0 50 FFAA CN[C@H](Cc1ccc(F)cc1F)c1cn(-c2ccc3[nH]ncc3c2)nn1 1875349831 OPDQDRWJVGPUBJ-QGZVFWFLSA-N 354.364 2.925 0 50 FFAA O=C(NCCN1CCCC1=O)c1c2c(nc3ccccc13)CCCCC2 1875358271 PQXMPLWZKXAZNQ-UHFFFAOYSA-N 351.450 2.856 0 50 FFAA COc1ccc(CN(CCO)c2cc(=O)oc3ccccc23)cc1OC 1875319296 WODQVGYAWKDDFT-UHFFFAOYSA-N 355.390 2.809 0 50 FFAA CC1(C)CCCN1C(=O)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 1875306327 AEKIBNWSDHVKCT-KRWDZBQOSA-N 369.469 2.694 0 50 FFAA Cc1cc(C(F)(F)C(=O)NCc2nc3c(s2)COCC3)cnc1Cl 885965037 QMAPEJBFBKQGES-UHFFFAOYSA-N 373.812 2.981 0 50 FFAA COc1ccccc1OCCC(=O)N1CCC[C@H](c2nnc(C)o2)[C@@H]1C 886084854 LNMAMLSZJZYMNZ-ZFWWWQNUSA-N 359.426 2.950 0 50 FFAA CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@@H]1CCN(Cc2ccccc2)C1 72868491 PNJACHRUFWHMLT-INIZCTEOSA-N 368.506 2.939 0 50 FFAA CC(=O)N(C)Cc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 7425438 HPHWUCMZRFUDMP-UHFFFAOYSA-N 350.422 2.678 0 50 FFAA Fc1ccccc1N1CCN(CCCNC2CC(n3cccn3)C2)CC1 2325760837 WGRNLAFJFHYGIH-UHFFFAOYSA-N 357.477 2.528 0 50 FFAA CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 1072515 LFWDBBNGSYCHAV-CQSZACIVSA-N 368.389 2.775 0 50 FFAA Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 1165876 ZNKFZARACQCVNY-UHFFFAOYSA-N 374.871 2.821 0 50 FFAA C[C@@H](Cc1ccccc1)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O 1846300 JKNDAGNFBPJGEF-KRWDZBQOSA-N 361.445 3.000 0 50 FFAA in-man CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 2058313 ILDUOCOEZKKKBH-AWEZNQCLSA-N 368.817 2.978 0 50 FFAA COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccccc1 2907601 WLCOJLOLYHAWKG-UHFFFAOYSA-N 355.799 2.629 0 50 FFAA COc1cccc2c1OCC(CN1CCC(C(=O)N3CCCC3)CC1)=C2 65395515 VTIRXBVICXMMKI-UHFFFAOYSA-N 356.466 2.805 0 50 FFAA O=C(NCc1cccnc1-n1ccnc1)c1cnc([C@@H]2CCCO2)s1 134339831 HQICNLBYARYHOU-ZDUSSCGKSA-N 355.423 2.505 0 50 FFAA CC(=O)N1CCc2nc(C)nc(NCc3csc(C(C)C)n3)c2CC1 65393868 VGNPNYMSQUSGPJ-UHFFFAOYSA-N 359.499 2.924 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccc(F)cc2)cc(-n2ccnc2C)n1 67621007 OXSMEFYVSIAEBU-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1C 65364932 CMMBTJADNHKMNQ-QGZVFWFLSA-N 352.500 2.542 0 50 FFAA COc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)cc1C(=O)O 67446678 HGMBPZVWRRICKZ-UHFFFAOYSA-N 366.461 2.678 0 50 FFAA CC[C@@H](C(=O)N1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 65364016 NURQZHXWDSVIHW-AWEZNQCLSA-N 374.890 2.516 0 50 FFAA c1ccc(Cn2nnnc2CN2CCc3onc(-c4ccccc4)c3C2)cc1 67587021 QSZDLAJOKNFGJB-UHFFFAOYSA-N 372.432 2.935 0 50 FFAA CC(=O)N[C@@H](C)C(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 67758647 NKYTVLPYEDHGKU-AWEZNQCLSA-N 354.454 2.616 0 50 FFAA CN(Cc1cccc2ccccc12)C(=O)c1cc(CN2CCOCC2)on1 67773129 GORFMVNSOOMNRN-UHFFFAOYSA-N 365.433 2.932 0 50 FFAA CC(C)CCC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67834098 ONOHRYVTFOBPFD-MRXNPFEDSA-N 356.470 2.713 0 50 FFAA COc1ccc(CC(=O)Nc2cc(C)cc(N3CCN(C)CC3)c2)cc1 252509339 YLMKSBSTQSUFMH-UHFFFAOYSA-N 353.466 2.937 0 50 FFAA CC(C)Cc1nc(CN2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)no1 77457582 ZWINKSFKBCVXCI-FQEVSTJZSA-N 360.502 2.883 0 50 FFAA O=C(c1ccc2[nH]cnc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 77407725 KUMSPYKTHRNKFB-UHFFFAOYSA-N 360.461 2.878 0 50 FFAA O=C(Nc1ccccc1F)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72437503 UUOQGTHZGCOPEM-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA Cc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328635281 NFZOADQVKDDGPA-GJZGRUSLSA-N 352.479 2.917 0 50 FFAA CCNC(=O)[C@H]1CCN(Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 71752738 OABBSFKWNPEVFB-ZDUSSCGKSA-N 361.417 2.756 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccon2)C1 12575659 IFGHQMPJJQVZSE-HNNXBMFYSA-N 351.410 2.711 0 50 FFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 329763273 UIBAWUZCMUPZDK-WDSOQIARSA-N 374.444 2.777 0 50 FFAA CN(C)S(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 375191498 IRQMALYQYJGOCP-CQSZACIVSA-N 366.405 2.569 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCCc1noc(C3CCCC3)n1)C(=O)CCC2 219788367 IYWCNURBRUYDPS-UHFFFAOYSA-N 356.426 2.855 0 50 FFAA O=C(N[C@H]1CCOc2c(F)cccc21)c1c[nH]c(C(=O)N2CCCC2)c1 443390330 UCRDDXWHAUOVMD-HNNXBMFYSA-N 357.385 2.643 0 50 FFAA C[S@](=O)c1ccc(NC(=O)NC2CCN(c3nccs3)CC2)cc1 377195493 FQFCTTFBUMIGJX-DEOSSOPVSA-N 364.496 2.671 0 50 FFAA CC(C)CCOc1cccc(CCNC(=O)[C@H]2CC3(CCNCC3)CN2)c1 72124184 WLVZOPAEECJZDT-HXUWFJFHSA-N 373.541 2.502 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1C[C@@H](CO)[C@H](CO)C1 72476011 UZGGUMMNCPZAIC-KBPBESRZSA-N 370.371 2.701 0 50 FFAA CCCSCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71639084 ROVDEDAYXLCQEF-UHFFFAOYSA-N 371.510 2.633 0 50 FFAA O=C(c1cc2sccc2[nH]1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 220480280 YGZVEYWTNDCLQY-QGZVFWFLSA-N 356.451 2.915 0 50 FFAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-c3cnn(C)c3)s2)C1 282841399 RSWJJGVGPXCNTP-DZGCQCFKSA-N 359.455 2.802 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N(Cc1ccccn1)C[C@H]1CCCO1 223317228 LNRJYUQEJRAFOO-QGZVFWFLSA-N 372.494 2.629 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)s1 17074933 FXFNZVXJGPCMNV-FEZLSPKCSA-N 364.467 2.875 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)c1 222408583 SLSIQIBNAKXQTQ-NHCUHLMSSA-N 369.461 2.691 0 50 FFAA CC(C)c1n[nH]c2c1CN(C(=O)[C@H]1CCC(=O)N(C3CCCC3)C1)CC2 82039505 XSOUYHZYCXPWDK-AWEZNQCLSA-N 358.486 2.599 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1 426411450 NLMAUKQEJDUXOZ-IBGZPJMESA-N 355.438 2.981 0 50 FFAA COCCCN1CC2(CCN(C(=O)c3ccc(F)cc3C)CC2)CC1=O 95354232 AVJIVZZECCVTEY-UHFFFAOYSA-N 362.445 2.625 0 50 FFAA CC[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CC[C@H]1c1ccccc1 237080425 WWHUBHRWHKVSTE-QFBILLFUSA-N 367.497 2.859 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 91769175 QWYRIHSQHXCQSY-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA Cc1nn(CC(=O)N2CC[C@@H](c3ccccc3F)C2)c(=O)c2ccccc12 91769677 SRUFJQIHNJEFTE-OAHLLOKOSA-N 365.408 2.860 0 50 FFAA CC[C@H](C(=O)NCc1snnc1C(C)C)N1Cc2ccccc2C1=O 97402434 WJEPKKMPQRTFNI-CQSZACIVSA-N 358.467 2.712 0 50 FFAA COc1cc2c(cc1CNC(=O)c1cnc(-c3cccnc3)nc1)CCC2 95360254 XRVDFBZZOSAGOM-UHFFFAOYSA-N 360.417 2.966 0 50 FFAA Cc1cc2c(cc1CN1C[C@H](CO)[C@H](CN3CCCCCC3)C1)OCCO2 91305411 SHJQOBOIERYRKN-WOJBJXKFSA-N 374.525 2.683 0 50 FFAA COCCCCN1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 96149605 BNSJCIDTFLQIEV-UHFFFAOYSA-N 368.481 2.508 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)c2ccc3ncsc3c2)N1 97743502 BHSFRDKIIVOLAL-HNNXBMFYSA-N 366.446 2.612 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC2(CC1)CNC(=O)C2 91997207 LVZUXIOCFAJFLI-UHFFFAOYSA-N 353.466 2.764 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCCc1noc(-c2ccccc2)n1 95527447 RHUUWRKCDRYTOH-UHFFFAOYSA-N 373.416 2.959 0 50 FFAA CN(C)c1nccnc1N1CCC(c2nccn2Cc2cccnc2)CC1 95504576 VXAOMNQYBCKJED-UHFFFAOYSA-N 363.469 2.566 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2COc3ccccc3C2)c1C 91270079 FQBBTRGRVXBYFS-GOSISDBHSA-N 371.481 2.746 0 50 FFAA Cc1ccc(SC2CCN(C(=O)CN3CC[C@@H](N(C)C)C3)CC2)cc1 244626482 FMLKBVWUJHPNIL-QGZVFWFLSA-N 361.555 2.714 0 50 FFAA COc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 263615957 GGCBXRRVOVHTJX-FQEVSTJZSA-N 362.433 2.899 0 50 FFAA Cn1ccnc1[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)C1CC1 299795511 MGGNTPIQLOOKFQ-HXUWFJFHSA-N 352.482 2.867 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCCCN1C(=O)C1CC1 299778826 HTAJEJMJGKZHMO-LJQANCHMSA-N 353.466 2.926 0 50 FFAA O=C(NC[C@@H]1COCCO1)Nc1ccccc1OCCOc1ccccc1 299778216 PRJJMBVXHUPFFV-QGZVFWFLSA-N 372.421 2.681 0 50 FFAA CCn1nc(CNC(=O)C2(N3CCOCC3)CCCCC2)c2ccccc21 299780707 BVNDQDBYWVNVEY-UHFFFAOYSA-N 370.497 2.708 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)s1 299792709 GRRWPFRVTWIOOB-UHFFFAOYSA-N 370.478 2.848 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)CCN2CCCC2=O)c2cccnc2)c1 299763016 FXPTWEOSQGPWFK-OAQYLSRUSA-N 351.450 2.917 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)CN2CCCN(C)CC2)c1 823778365 MVWYARFEOUESCT-UHFFFAOYSA-N 372.513 2.700 0 50 FFAA O=c1c2c(Cl)cccc2ncn1C[C@@H](c1cccnc1)N1CCOCC1 584896886 XPOSONLEXSJNOB-KRWDZBQOSA-N 370.840 2.518 0 50 FFAA CCN1[C@H](c2ccc(Cl)cc2)[C@H](CNC(=O)CSC)C[C@]1(C)CO 1075987636 PDAFUVAKIVRYTC-BMGDILEWSA-N 370.946 2.953 0 50 FFAA O=C(Nc1ccccc1CN1CCOCC1)c1ccccc1-c1nc[nH]n1 952966705 WHNAFWYMXXSTOA-UHFFFAOYSA-N 363.421 2.556 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@](C)(O)c2ccc(C)o2)cc1 185550493 QYAYQMAADYQSDR-KBXCAEBGSA-N 351.468 2.556 0 50 FFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCNC(=O)[C@@H]3C(C)C)s2)c1 186055098 BNDHPGLLUOUXFJ-AWEZNQCLSA-N 373.482 2.810 0 50 FFAA O=C(CCc1ccco1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275670092 PJPFFUKRRQLWBU-KRWDZBQOSA-N 355.438 2.887 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3nnc(C4CC4)o3)c2)n1 186900872 ADCIJLHYDURQNT-UHFFFAOYSA-N 351.410 2.739 0 50 FFAA c1ccc(CN2CCCO[C@H](CN3CC[C@H](CN4CCCC4)C3)C2)cc1 170616852 TYWYNSCZJLXCTE-YADHBBJMSA-N 357.542 2.695 0 50 FFAA COCc1cccc(CNC(=O)c2cnn(CCO)c2-c2ccccc2)c1 170614582 GSYYJDJRRPVLMB-UHFFFAOYSA-N 365.433 2.619 0 50 FFAA O=C(c1ccn(CC(F)F)n1)N1CCC[C@H]1Cn1cnc2ccccc21 790003115 UZTJSVZJFFSJDJ-ZDUSSCGKSA-N 359.380 2.803 0 50 FFAA Nc1ncccc1CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1529146270 LRXYIABFAHZNQP-RBUKOAKNSA-N 350.466 2.502 0 50 FFAA CO[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@H]1Cc1cc(C)no1 1529119414 HFKUEYLGXXPLLL-ACJLOTCBSA-N 357.385 2.933 0 50 FFAA COc1cc(Cl)cc(CN2C[C@@H]3CNC(=O)C[C@@H]3C2)c1OC(C)C 1800413466 IEDQECDVAWYLOI-OCCSQVGLSA-N 352.862 2.704 0 50 FFAA CCOc1ccc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1Cl 1704327343 CNNXYEOBABNULM-UHFFFAOYSA-N 364.877 2.974 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CSc2nc(CC(C)C)n[nH]2)cc1 18218125 JNJZJDZHTXVMDY-UHFFFAOYSA-N 362.455 2.911 0 50 FFAA CC(C)Cc1n[nH]c(SCC(=O)Nc2nnc(CC(C)C)s2)n1 18218127 RGPKNBKLMLPZKF-UHFFFAOYSA-N 354.505 2.784 0 50 FFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cccs4)CC3)nn2)n1 169777397 GWDMYJVHQQXWSD-UHFFFAOYSA-N 372.454 2.819 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857532893 AMSZTCLCWLEDNB-JVPBZIDWSA-N 364.449 2.563 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@]23CC[C@H]1O3 1857725869 QOBDFRKFNFCOPV-LUXYFRNMSA-N 366.408 2.549 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 416521984 IHBYITKJTVPMTF-ZQIUZPCESA-N 373.902 2.996 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1[nH]nc2c1CCCC2 131974705 HKUDDMOQJZPTKN-OAHLLOKOSA-N 372.856 2.867 0 50 FFAA C[C@H](CC1CCOCC1)N[C@H](C(N)=O)c1cccc(Br)c1 488408490 AXAHLMIBVMAABW-ABAIWWIYSA-N 355.276 2.770 0 50 FFAA CC(C)OC[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CCO1 372129294 VQYBQCHDGQRWCH-INIZCTEOSA-N 364.877 2.761 0 50 FFAA O=C(NOCC1CCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O 856346196 ZFPLESQHERYHGN-AWEZNQCLSA-N 367.243 2.650 0 50 FFAA C[C@@H]1O[C@H](C)Cc2nc(NC(=O)N[C@@H]3C[C@@H]4C[C@@H](CO)C[C@@H]43)sc21 1875277619 UYFHULSIZPKJPO-NMIFLECGSA-N 351.472 2.694 0 50 FFAA Cc1ccc(-n2nnnc2CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 1875281659 OKNRSCPHPWAAED-AZUAARDMSA-N 363.465 2.569 0 50 FFAA Cn1cc(CN2CCC3(CC2)C[C@H](O)c2nn(C4CCCC4)cc2O3)cn1 1875393003 CQYJWFYBDHEMPO-KRWDZBQOSA-N 371.485 2.582 0 50 FFAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3ncoc3C(C)C)CC1)O2 1875394512 KWNVTFQQNVTTRO-ZDUSSCGKSA-N 374.441 2.505 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ccc(C(F)(F)F)cn3)n[nH]c21 1875394278 CEEQCTTYYWIGSE-ZJUUUORDSA-N 368.359 2.818 0 50 FFAA COc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c(C)c1OC 1875403802 DONPVEJIHCIRBT-WCQYABFASA-N 373.453 2.698 0 50 FFAA NC(=O)c1ccnc(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)c1 2325879108 IGTQYGJJRLWXCA-UHFFFAOYSA-N 363.348 2.803 0 50 FFAA O=C(O)c1csc(CC2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)n1 910785111 MCNBOWRHIGMMPI-OAHLLOKOSA-N 356.447 2.962 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 676872 PWANYMIPMMSYAM-CYBMUJFWSA-N 362.451 2.865 0 50 FFAA O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 783201 MWSUIZKGNWELRF-UHFFFAOYSA-N 361.612 2.649 0 50 FFAA in-vitro Cc1noc(C)c1CCC(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356162645 HPJAOKFEPCEEBE-UHFFFAOYSA-N 365.437 2.567 0 50 FFAA COC(=O)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 4673072 SBMBDOMQBVOUEZ-NSHDSACASA-N 367.121 2.876 0 50 FFAA COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 4867012 UDMLRVDJAQOWCR-INIZCTEOSA-N 354.406 2.856 0 50 FFAA COc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1OC 4993770 WFYCFKCKGLIRRU-UHFFFAOYSA-N 371.466 2.561 0 50 FFAA Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(O)c1 9426829 LEGJCFNBKPIPRR-UHFFFAOYSA-N 370.434 2.831 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)c2ccc3c(c2)nnn3C)CC1 116064747 HKYGRFFHVAVBDX-HNNXBMFYSA-N 363.465 2.924 0 50 FFAA Cc1cccc(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)n1 116668598 PZXFPEOUFWMZRA-UHFFFAOYSA-N 353.422 2.560 0 50 FFAA COc1cc(OC)c([C@H]2CC(=O)NCc3nc(N)sc32)cc1Cl 65372502 AUAYLGLOJMKPQA-MRVPVSSYSA-N 353.831 2.548 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)s1 20110033 GYKLSYBJSHXQIL-OAHLLOKOSA-N 355.456 2.828 0 50 FFAA O=C(CCCn1cncn1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67177620 HAJKSFXEPOKMKZ-OAHLLOKOSA-N 369.252 2.965 0 50 FFAA Cc1cc(C)c(CN2CCN(c3ncc(F)cn3)CC2)c(-n2cccn2)c1 65381059 FRKJSNBLQQTJIP-UHFFFAOYSA-N 366.444 2.740 0 50 FFAA CN(C)c1nc2c(s1)[C@H](c1cccc(Cn3cccn3)c1)CC(=O)NC2 65493906 PJDHRWIUFLUBTO-HNNXBMFYSA-N 367.478 2.606 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)CN1CCCCC1=O 12307915 FXKHKSSCRCKWJB-UHFFFAOYSA-N 369.421 2.511 0 50 FFAA Cn1cc(C(=O)Nc2c(F)c(F)c(Br)c(F)c2F)cn1 2778819 YXRFWQIZBCCOTI-UHFFFAOYSA-N 352.085 2.991 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1cccc2nccnc12 72133705 GVAAKMJYQPNFCE-QGZVFWFLSA-N 374.444 2.593 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H]3c4ccccc4C[C@@H]3O)c12 72435572 ULIYRXNRTCTRLA-FUHWJXTLSA-N 372.432 2.804 0 50 FFAA C[C@H](NC(=O)c1cccnc1S)[C@@H](O)c1ccc(Br)cc1 154130263 OZOANJQUIQLCCD-TVQRCGJNSA-N 367.268 2.985 0 50 FFAA COc1ccc(OCCCOc2cccc(C(=O)NC[C@@H](C)O)c2)cc1 437613293 JOOKIAXGBGRONK-OAHLLOKOSA-N 359.422 2.654 0 50 FFAA O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CC[C@H](N2CCCC2)C1 363690651 IYAYSPVBSJZJMH-HNNXBMFYSA-N 368.456 2.810 0 50 FFAA CC(C)CN1C[C@H]2CN(C(=O)CCCc3cccs3)C[C@@]2(C(=O)O)C1 216184706 GKXQDZFEMGYKMG-KXBFYZLASA-N 364.511 2.572 0 50 FFAA COc1ccc(CN2CC(Oc3ccccc3C)C2)cc1Cn1cncn1 72164293 WNUUBZMGCRZQFH-UHFFFAOYSA-N 364.449 2.907 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N[C@@H](C)Cc2cccnc2)n[nH]1 71315235 CCMQIAWIJRIFNV-AWEZNQCLSA-N 374.448 2.872 0 50 FFAA CN1CCN(C)[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 219227181 JYNIPWALEKJMPU-SFHVURJKSA-N 363.933 2.904 0 50 FFAA CN1C(=O)CCc2cc(CN3CC[C@](O)(c4ccc(F)cc4)C3)ccc21 368423484 XBZSXBDSABKNGA-OAQYLSRUSA-N 354.425 2.828 0 50 FFAA CCO[C@@H](CC)CNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 71779859 ZEKSYRUZVDRXTB-INIZCTEOSA-N 369.469 2.670 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](C)[C@H]3CN)o2)cc1 156590521 GSPCEAKCWKZPJF-RHSMWYFYSA-N 357.454 2.869 0 50 FFAA Cn1cc([C@@H]2CN(c3ncnc4sc5ccccc5c34)C[C@H]2CO)cn1 333316445 OXUKCICGZSYHSW-ZFWWWQNUSA-N 365.462 2.790 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCN(CC(C)C)C(=O)[C@@H]3C)nc2c1O 77393240 DITFTWGJOVCIQG-HNNXBMFYSA-N 369.465 2.886 0 50 FFAA COc1cccc([C@H](CNC(=O)c2cncnc2C2CC2)N2CCCC2)c1 454297050 SNCXAQXPEKKOSN-IBGZPJMESA-N 366.465 2.930 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71754009 USMZAUXAQOJZKA-CQSZACIVSA-N 353.205 2.895 0 50 FFAA O=S(=O)(C[C@H]1CCCO1)Nc1cccc(OCc2cscn2)c1 171807514 ASVLPMVGXDSORR-OAHLLOKOSA-N 354.453 2.643 0 50 FFAA Cc1nc2c(c(NCc3ccccc3)n1)CCN(C(=O)NC(C)C)CC2 72427930 PFIQSWPXICBIEL-UHFFFAOYSA-N 353.470 2.916 0 50 FFAA CN(C(=O)c1ccc2nc(S)oc2c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 129824108 QSLZAEORGQCJSO-OCCSQVGLSA-N 368.480 2.544 0 50 FFAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2ccccc2C(F)(F)F)CC1 284586738 PRMOUEXJBLWZGI-GOEBONIOSA-N 356.388 2.808 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)NCc1n[nH]c2c1CCC2 426477295 XIURUSFFKGFYPX-UHFFFAOYSA-N 366.469 2.857 0 50 FFAA COC(=O)c1cc(-c2ccccc2O)nc2c1c(=O)[nH]c(=S)n2C1CC1 20608049 CDSPMZNXBOFODC-UHFFFAOYSA-N 369.402 2.948 0 50 FFAA O=C(O)c1oc(CO[C@@H]2CCCCO2)cc(=O)c1OCc1ccccc1 145622318 ZVTSAPDSOIRIJF-MRXNPFEDSA-N 360.362 2.960 0 50 FFAA COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)nc2)cc1C(=O)N(C)C 426383375 UWHRDDYPPCEYQB-ZDUSSCGKSA-N 356.426 2.983 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N1CCC(c3ccncc3)CC1)CC(=O)N2 91289387 FWKCHEUDNMSRFX-GOSISDBHSA-N 365.433 2.922 0 50 FFAA Cc1noc(C)c1CN1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 426575017 NLKHTKOLMAYWCG-KRWDZBQOSA-N 372.517 2.785 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1sc3ccccc3c1C)C2 95523011 SIFKWNPILZTWMR-LSDHHAIUSA-N 372.490 2.919 0 50 FFAA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2ccc3c(c2)OCO3)c1=N 334157628 VNKOHYLBPDDIMZ-UHFFFAOYSA-N 353.353 2.724 0 50 FFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCC(Oc2cccnc2)CC1 95365937 IACJODRKQSNTRJ-FQEVSTJZSA-N 366.465 2.684 0 50 FFAA Cc1nc(C(C)C)cc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)n1 91616449 JVIJHHAKVYKXSM-UHFFFAOYSA-N 373.545 2.679 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 178874346 GJTFKMGZYAZUTE-QGZVFWFLSA-N 367.453 2.937 0 50 FFAA O=C1OCc2ccc(NC(=O)N3CCC[C@@H](OCc4cccnc4)C3)cc21 96162743 NMVPOUVQXNEGIY-QGZVFWFLSA-N 367.405 2.965 0 50 FFAA COCC1(CNc2nn3c(C(F)(F)F)nnc3c(C)c2C)CCOCC1 291924036 RSSFYWRSIIVAAT-UHFFFAOYSA-N 373.379 2.615 0 50 FFAA O=C(Nc1cnn(Cc2cccc(F)c2)c1)N1CCC[C@@H](c2nc[nH]n2)C1 95509891 NNOMJZNHKJHEDH-CQSZACIVSA-N 369.404 2.600 0 50 FFAA N[C@H]1C[C@@H](c2cc(NCCCc3cccnc3)nc(N3CCCC3)n2)C1 244874565 XDFXMLRIHVMUTE-CALCHBBNSA-N 352.486 2.721 0 50 FFAA O=C(O)Cc1cc(C2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)[nH]n1 244899770 ZPTYPUQEZURDAT-UHFFFAOYSA-N 371.466 2.868 0 50 FFAA C[C@H]1CN(C(=O)N[C@H](c2ccccc2)C(F)F)CC2(CCOCC2)O1 296744379 LYLOICSTJSXOGA-DZGCQCFKSA-N 354.397 2.972 0 50 FFAA Cc1nccc(N2CCN(Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)n1 183781452 ROGUXCKBNUBFIM-HXUWFJFHSA-N 368.481 2.665 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCCN(c2cccc(F)c2)C1 184383439 ANKCYVFTSWIRAE-CQSZACIVSA-N 354.389 2.659 0 50 FFAA CCn1cnnc1[C@@H](C)NC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 534663476 SMCXEKZKAURCJW-SNVBAGLBSA-N 361.837 2.730 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)c3ccon3)C[C@@H]1N(CC1=CCCCC1)CC2 534591362 DEPPGKCMXAZZCB-IMFGXOCKSA-N 359.470 2.917 0 50 FFAA O=C(Nc1cccc(-c2cnc[nH]2)c1)N1CCC(C(=O)N2CCCC2)CC1 299772724 BINNXECPQQTLNF-UHFFFAOYSA-N 367.453 2.943 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 299797311 PSKFVHSEQCMJIJ-IRXDYDNUSA-N 350.890 2.986 0 50 FFAA CCCc1nc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cs1 823023348 SHLBZDUOUOEFBB-NLKGSNSHSA-N 372.498 2.560 0 50 FFAA CCc1nc(N2CCC[C@H](CNC(=O)c3cnc4c(c3)CCCC4)C2)no1 823576206 XUUZPNPODOGGEC-CQSZACIVSA-N 369.469 2.552 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CCCN(Cc2cccs2)C1 670440771 CHVSXGSEPPKGKN-CQSZACIVSA-N 354.479 2.948 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)CCC(=O)NC1CCCCCC1 952988609 NLLDZAVMQDTJBW-UHFFFAOYSA-N 373.497 2.923 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1 1565505931 KFZYAMHUVVEDBR-BTINSWFASA-N 366.864 2.780 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)cc1 1565511042 OWXADTVBKYJDEW-OALUTQOASA-N 361.482 2.704 0 50 FFAA Cc1nc(S(=O)(=O)NC(=O)[C@H]2CCCc3ccccc32)sc1C 408501645 RNFZMOXBLDRZKM-AWEZNQCLSA-N 350.465 2.685 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCCC2)CN1C 96132892 BSKLNMYYVNRVCE-MOPGFXCFSA-N 371.525 2.556 0 50 FFAA Cc1cc(Br)ccc1S(=O)(=O)N[C@H](C)c1cn(C)nc1C 184965307 GWDZBHNGWWDSKO-LLVKDONJSA-N 372.288 2.839 0 50 FFAA O=C(C1CC1)[C@@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)CCO1 170598736 DUBSJLHULUSDTJ-SFHVURJKSA-N 360.417 2.876 0 50 FFAA CCc1cnc(CNS(=O)(=O)c2cc(Br)ccc2C)o1 170598303 MXLJSDWCYGBPGZ-UHFFFAOYSA-N 359.245 2.786 0 50 FFAA CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(-c3ccco3)on2)CCO1 170599747 NUXNNXGXOQCNIW-CQSZACIVSA-N 363.414 2.660 0 50 FFAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc(C(C)C)c1 170598329 FPFJJVFXPUXTGQ-UHFFFAOYSA-N 365.499 2.953 0 50 FFAA Cn1ccs/c1=N\C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 170618256 YZDYPTSRKLXBIV-XYGCICOMSA-N 370.261 2.874 0 50 FFAA CCc1nc2cc(NC(=O)C(=O)N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc2o1 170603799 FFSPMGZCRPJKBH-VUCTXSBTSA-N 371.437 2.601 0 50 FFAA COc1ccnc(NC2CCN(Cc3cnc4c(C)cccn34)CC2)n1 191692169 PWTPSTRJNDNUJK-UHFFFAOYSA-N 352.442 2.518 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)CCN21 1615734423 DOTCIRJOWNJWJN-MSOLQXFVSA-N 355.438 2.667 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O 1132223 WPTUJEFKQBHVDS-OQLLNIDSSA-N 371.418 2.698 0 50 FFAA O=C(c1csc(-c2cccs2)n1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529192210 RUZZVLLRLALRTC-UKRRQHHQSA-N 371.487 2.942 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1C(=O)O 212761236 PNYZTQOVDOROBT-MSOLQXFVSA-N 355.438 2.607 0 50 FFAA CCOc1cc2c(cc1CN1CCCN(C(=O)[C@@H]3CCCO3)CC1)CCC2 1772811973 CXOJOQZMNGECCT-FQEVSTJZSA-N 372.509 2.787 0 50 FFAA CCCn1c(C)c(CC(=O)N[C@H](C)C(=O)OC)c2c1CC(C)(C)CC2=O 12576782 MTTKJAVTPPYTKI-GFCCVEGCSA-N 362.470 2.582 0 50 FFAA COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c1 16648588 CDAFNNPDCXTAHT-UHFFFAOYSA-N 362.451 2.517 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857673579 OUDWTMJVAHGPSJ-UIAACRFSSA-N 359.445 2.600 0 50 FFAA c1ccc(OCc2nc([C@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)cc1 1857677042 WCJNFBSEWVAOQZ-HNNXBMFYSA-N 373.420 2.563 0 50 FFAA Cc1ncccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857715560 XSAYZZKVASKNRD-ZIFCJYIRSA-N 371.868 2.988 0 50 FFAA CCc1nnc(N2C[C@@H](C(=O)NC3(CC(C)(C)C)CC3)CC2=O)s1 1857716004 RMBNDXQVUOIGEH-NSHDSACASA-N 350.488 2.538 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)nc(C)c2Cl)cc1 1058225 JEIVGIIVOVOLED-UHFFFAOYSA-N 354.819 2.506 0 50 FFAA CC(C)OCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 219971560 NFIIHOKIFSZGQJ-WBVHZDCISA-N 364.511 2.555 0 50 FFAA Cc1cnn(CCCN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)c1 220160180 XIFDKEQMBIZCOS-UXHICEINSA-N 352.482 2.705 0 50 FFAA Cn1nc(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1C1CC1 425573424 RSULIKIDSOOMIM-UHFFFAOYSA-N 353.209 2.956 0 50 FFAA CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2ccccc2)nn1 125696521 HTXBLPBYQUYPNN-MRXNPFEDSA-N 364.449 2.898 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)c1 130047431 IBWHCGJBYVBLPS-IBGZPJMESA-N 352.390 2.979 0 50 FFAA C=Cc1ccc(CCNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1 253430303 XQRJZXRBWPNWCT-UHFFFAOYSA-N 359.429 2.907 0 50 FFAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(OC3CCOCC3)cc2)cn1 262809858 NXYNQSCUCQODIE-UHFFFAOYSA-N 373.409 2.513 0 50 FFAA Cc1cnc(-c2ccccc2NC(=O)C2CCC(S(C)(=O)=O)CC2)[nH]1 901116764 KAKGBFMGTLXAQH-UHFFFAOYSA-N 361.467 2.927 0 50 FFAA C[C@H](C(=O)N1Cc2cc(C(=O)O)nn2C[C@@H]1C)c1cn(C)c2ccccc12 908440579 UWJBCCGSNFFWRC-STQMWFEESA-N 366.421 2.607 0 50 FFAA CCC1(N2CCCC2)CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875295566 JWYHAHGSQZOYJU-LSDHHAIUSA-N 360.502 2.913 0 50 FFAA CC[C@@H](Cc1cn(CCNC(=O)[C@@H](CC)CC2CCCC2)nn1)C(=O)O 1875355306 GQFNUWYRBCHOID-HOTGVXAUSA-N 364.490 2.654 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3N3CCCC3)n[nH]c21 1875394880 ZPMNBJFPBUSQPD-KGLIPLIRSA-N 354.454 2.962 0 50 FFAA Cc1nnc([C@H](C)N2CC[C@](C)(NC(=O)c3nccc4[nH]ccc34)C2)s1 1875332441 RSIUYKHPXLHCIV-VOJFVSQTSA-N 370.482 2.678 0 50 FFAA C=CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(C(C)(C)C)n1 1875386788 YSIAATBFHOLZQU-ZFWWWQNUSA-N 363.527 2.960 0 50 FFAA C[C@]1(c2ccc(CNC(=O)CC3CCC4(CC3)CC4)cc2)NC(=O)NC1=O 1875321281 BJFBAILTKGENJV-HXUWFJFHSA-N 369.465 2.718 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2n(c1)CCCC2 1875401576 LMCITONRFTYZDZ-SJORKVTESA-N 369.469 2.755 0 50 FFAA CC(=O)N1C[C@@H](Nc2nccc(C(F)(F)F)n2)CC[C@H]1C(F)(F)F 886056935 WUXDQMOAPANQAL-WPRPVWTQSA-N 356.270 2.849 0 50 FFAA CCC[C@@H](CC)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100482942 HYYDOVAZMMNBGY-MRXNPFEDSA-N 374.529 2.877 0 50 FFAA S=C(NCCN1CCOCC1)NC(c1ccccc1)c1ccccc1 19856939 HEQBICCNIJADIR-UHFFFAOYSA-N 355.507 2.572 0 50 FFAA COc1ccccc1C1=NO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 6738331 ICOVGHRYDBUONA-HXUWFJFHSA-N 365.433 2.537 0 50 FFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)c2c1[C@H](C)CC2=O 2325702318 PVXAUVATHMSKNA-CYBMUJFWSA-N 373.430 2.569 0 50 FFAA Cc1ccc([C@@H](NS(=O)(=O)c2ccn(C(C)C)n2)C(F)(F)F)o1 2325776540 WVGITEPGEXYAJW-GFCCVEGCSA-N 351.350 2.947 0 50 FFAA CC(C)[C@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2)c1nc[nH]n1 2325779584 QFMBPJMBNXGVHW-ULQDDVLXSA-N 354.454 2.586 0 50 FFAA Cc1ccc2cc(NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)cnc2c1 2325784349 WFCUWSONWSADGY-QWHCGFSZSA-N 351.328 2.796 0 50 FFAA O=C(Cc1ccc2c(n1)NCCC2)N1CC[C@@H](c2ccc3cccnc3n2)C1 2325801724 TUHJWRSAPJDHIX-QGZVFWFLSA-N 373.460 2.942 0 50 FFAA COc1ccc(OCCNC(=O)[C@](N)(C(C)C)C(F)(F)F)cc1Cl 2325827140 WLVLHIQDVFBHNE-CQSZACIVSA-N 368.783 2.759 0 50 FFAA O=C(Cc1cc(C2CC2)on1)NCC[C@@H]1CCCN(C(=O)C2CC2)CC1 2325866948 GBCQGLZYNUTDPC-AWEZNQCLSA-N 359.470 2.640 0 50 FFAA O=C1CCc2cc(C(=O)NC[C@H]3CCN3CCCC3CCC3)ccc2N1 2325867611 ADTAVQNJVNUZBH-GOSISDBHSA-N 355.482 2.956 0 50 FFAA CCCC(=O)N[C@H]1C[C@H](N=c2[nH]c3cccc(Br)c3o2)C1 2325867745 FFYGDFVKSBXSJK-MGCOHNPYSA-N 352.232 2.871 0 50 FFAA CNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 907928 JXFKJCRHSQMAHD-CQSZACIVSA-N 372.446 2.765 0 50 FFAA Cc1cc(-c2ccc(NS(C)(=O)=O)c(C)c2)ccc1NS(C)(=O)=O 1001352 SLRYTZOMCJDNII-UHFFFAOYSA-N 368.480 2.713 0 50 FFAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)c(OC)c1 1177414 WAEPHVBMDUWROV-OAHLLOKOSA-N 364.467 2.838 0 50 FFAA COC[C@@H](C)NS(=O)(=O)c1ccc(-c2ccc(OC)c(F)c2)s1 2356142272 LRIJZIILMIRHAM-SNVBAGLBSA-N 359.444 2.876 0 50 FFAA COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1OC 2469395 SWECCHALRRGUER-GFCCVEGCSA-N 371.389 2.958 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)Nc1n[nH]cc1-c1ccccc1 2356150257 TYAUCXJQLRTKGX-UHFFFAOYSA-N 355.419 2.879 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F 2853071 YFTVGFCOABXLPW-LJQANCHMSA-N 353.397 2.671 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 4591237 YYWSYPRPVZJCON-GOSISDBHSA-N 353.403 2.530 0 50 FFAA COc1ccc(OC)c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 10329885 YBBQURPEHVOILN-UHFFFAOYSA-N 364.423 2.636 0 50 FFAA Cc1ccn2c(CN(C)[C@@H]3CCOC3)c(C(=O)N3CCCCCC3)nc2c1 23339094 WUDYQIWKZQYQMW-QGZVFWFLSA-N 370.497 2.880 0 50 FFAA Cc1nc(N)ncc1C(=O)NCc1cccnc1Oc1ccccc1F 67432407 MJYOANANVXDMAG-UHFFFAOYSA-N 353.357 2.624 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1nccs1 20435982 DPTBCRPVYROPHI-UHFFFAOYSA-N 368.865 2.692 0 50 FFAA O=C(NCc1nc2ccccc2c(=O)[nH]1)c1c[nH]nc1C1CCCCC1 67921134 GJMSWVJXJNBARS-UHFFFAOYSA-N 351.410 2.624 0 50 FFAA N[C@@H](C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1)c1ccccc1 67850612 VIEWDKJUISRMRX-GOSISDBHSA-N 350.397 2.801 0 50 FFAA C/C(NC(=O)c1ccccc1)=C1\OC(=O)[C@@H](C)N1C(=O)c1ccccc1 28615377 YENGNFWBMHHHQD-NFECSFHCSA-N 350.374 2.693 0 50 FFAA Cc1ccc(C(=O)O)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67446532 YWUAQIZCJHXYPS-UHFFFAOYSA-N 352.369 2.992 0 50 FFAA Nc1nccc(N2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)n1 67741406 OOKRTYWFTYIVIL-UHFFFAOYSA-N 369.812 2.879 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cn2ccsc2n1 72130922 DGEKMJKDEISNEE-GFCCVEGCSA-N 374.853 2.580 0 50 FFAA Cc1nc(C)c(C)c(N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)n1 72421389 NCYNLNQUZMNBRH-KRWDZBQOSA-N 369.517 2.510 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)cc1O 72170176 ZPBXKNPPEXMFCR-FQEVSTJZSA-N 352.390 2.527 0 50 FFAA CC/C=C/CC(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77354392 JARBJXBIZCICPP-GQCTYLIASA-N 359.518 2.863 0 50 FFAA O=C(c1ccnc(O)c1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280014709 MXIYSNCHFYRPOF-BXUZGUMPSA-N 352.312 2.754 0 50 FFAA COCc1ncc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72469423 QLZUYNFWYJQLML-UHFFFAOYSA-N 356.514 2.709 0 50 FFAA CC1(C)CC(NC(=O)N2CCC[C@@H](N3CCCC3)CC2)CC(C)(C)N1 154992444 DVVLZLNKOCZBLH-QGZVFWFLSA-N 350.551 2.956 0 50 FFAA Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)nc2ccccc12 72439612 TWVRGCGPHYCYKU-QFBILLFUSA-N 353.466 2.743 0 50 FFAA CN(CCO)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 72454307 QBMWQXIFHDPMOY-UHFFFAOYSA-N 365.433 2.751 0 50 FFAA O=C(Cn1ncc2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1 238063355 BHXUXBURXQFLLO-UHFFFAOYSA-N 363.417 2.681 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3cccc(F)c3C)nn2)n1 72442486 DWERTQCKWDQEJO-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA C[C@H](NC(=O)[C@@H](c1cncn1C)N(C)C)c1cccc(N2CCCC2)c1 281021850 OLROJIJDCYQTSD-HNAYVOBHSA-N 355.486 2.500 0 50 FFAA Cc1ccc(Cn2nc(C3CCNCC3)n(Cc3ccccc3)c2=O)cc1 72148715 YEQQGIAJNSHXKS-UHFFFAOYSA-N 362.477 2.917 0 50 FFAA C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cn(C3CCNCC3)nn2)C1 262617252 DRQDJIQYIKLPBK-OAQYLSRUSA-N 367.497 2.688 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)Cc1cnc2ccccc2c1 376257021 HRXNRHUJGCJHOV-LJQANCHMSA-N 364.449 2.728 0 50 FFAA CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([S@](C)=O)cc1)CC2 332589586 LHCBSEWQZOFELV-MQNRADLISA-N 360.483 2.880 0 50 FFAA CCc1cc(NCc2ccc3c(c2)n(C)c(=O)n3C)n2nc(C)c(C)c2n1 72410362 CVNPXADLQCQRLT-UHFFFAOYSA-N 364.453 2.711 0 50 FFAA CCc1c[nH]nc1[C@H]1CCCN(C(=O)CN2CCOc3ccccc3C2)C1 77470311 DYRWNJXPMCBUHY-SFHVURJKSA-N 368.481 2.573 0 50 FFAA Cc1nc(C)c(C(=O)Nc2nn(C)c3cccc(N4CCOC4=O)c23)s1 72481245 DOYUXXSQLXICIZ-UHFFFAOYSA-N 371.422 2.856 0 50 FFAA C[C@@H](CN)N(C)C(=O)CCc1nc2cc(Br)ccc2s1 237420722 MBDAGCOCIJSDLC-VIFPVBQESA-N 356.289 2.797 0 50 FFAA C[C@@H](C(=O)N1CCc2c(F)cc(F)cc21)n1nnc(-c2ccccc2)n1 173618608 HJDYTEDNSYDHCX-NSHDSACASA-N 355.348 2.769 0 50 FFAA C[C@H](C[S@@](C)=O)NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 288054218 FUVLDFZXOFLQMI-XELLLNAOSA-N 365.474 2.963 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 82138410 HROFYHQAMZAENT-UHFFFAOYSA-N 371.485 2.948 0 50 FFAA CC[C@@H](CO)NC(=O)c1cccc(-c2ccc(Cl)c(C(=O)NC)c2)c1 426404241 LYYGTBIYKGNFPF-HNNXBMFYSA-N 360.841 2.867 0 50 FFAA Cn1cc(CC(=O)N2CCCN(Cc3ccccn3)CC2)c2ccccc21 221419538 PFMLAONBCGDAMC-UHFFFAOYSA-N 362.477 2.850 0 50 FFAA CC[C@@H](C)Oc1cccc(CN2CCn3nc(CNC(C)=O)cc3C2)c1 82139032 UBHXLAWOPILFAU-OAHLLOKOSA-N 356.470 2.712 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2scc3c2OCCO3)CC1 82109243 WKXBKHCXXDYLNN-UHFFFAOYSA-N 359.451 2.575 0 50 FFAA CNC(=O)C(C)(C)NC(=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1 426575002 KHXCYMFZCLCSJK-HNNXBMFYSA-N 361.417 2.765 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cccc(O)c3)C2)CN1CCc1c[nH]cn1 82120576 GOLLHLLENKCRNF-NRFANRHFSA-N 368.481 2.563 0 50 FFAA O=C(NC[C@@H](O)Cc1ccccc1)NC1(CN2CCCC2)CCCCC1 426740572 QLFGEKJADHDINH-IBGZPJMESA-N 359.514 2.688 0 50 FFAA Cc1nc(CCNC(=O)c2cc(O)nc3cc(F)ccc23)nc2c1CCC2 426597237 OCDKORBAWGZSQQ-UHFFFAOYSA-N 366.396 2.639 0 50 FFAA CC[C@@H](O)Cn1nc(-c2ccco2)nc1CN1CCOc2ccccc2C1 96148119 RFKPNSVZBTUOLQ-MRXNPFEDSA-N 368.437 2.704 0 50 FFAA Cn1ncc(C(=O)O)c1C(=O)Nc1nc(-c2ccc(F)cc2F)cs1 20614507 NOJOTPZTERHFFF-UHFFFAOYSA-N 364.333 2.772 0 50 FFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)cc1 91951527 CSYZWFKMISDLSX-SFHVURJKSA-N 370.449 2.822 0 50 FFAA O=C(c1ccc2ncccc2c1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95379137 AXQYJSCHYXAASB-OXJNMPFZSA-N 365.477 2.950 0 50 FFAA COc1cc(CN2CC[C@](C)(O)C(C)(C)C2)cc(Cl)c1OCC(=O)O 91907815 KXTYSSSQEKBRJW-SFHVURJKSA-N 371.861 2.795 0 50 FFAA COCCOc1cccc(NC(=O)N2CCC[C@H](c3ccncn3)C2)c1 96139155 RKOGWTFMBJNQSG-HNNXBMFYSA-N 356.426 2.913 0 50 FFAA CCc1n[nH]c(C(=O)N2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)c1C 91636461 DFIKSVJBBTVTNL-UHFFFAOYSA-N 358.486 2.701 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(O)(c2ccccc2)CC1 96153015 MLCLLJBIEOCIQP-UHFFFAOYSA-N 364.445 2.937 0 50 FFAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 96164180 YFKXQHKXXRIAOB-QGZVFWFLSA-N 352.482 2.898 0 50 FFAA COc1ccnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95359874 RMBVKDUQNZLXTO-CYBMUJFWSA-N 356.455 2.571 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(c1nnc(-c3ccccc3)s1)CC2 92038946 ARGLXZFSPYWNKQ-UHFFFAOYSA-N 366.494 2.912 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(F)c(Cl)c1F)C2 91817536 MSFTUFLLCVINHA-QWHCGFSZSA-N 358.816 2.687 0 50 FFAA Cn1cc(CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C2CCCCC2)cn1 91664794 OCUOERANMRFPFR-INIZCTEOSA-N 360.502 2.728 0 50 FFAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@@H](O)C1)c1ccccc1C(F)(F)F 244778638 PUBZDLGBOZOTQL-DVOMOZLQSA-N 356.388 2.574 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(Cc3cc(C4CC4)on3)CC2)n1 244816949 SRQPFJJGUWIMDY-UHFFFAOYSA-N 367.375 2.991 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC[C@H](OCCO)C1 181686350 VSEKMNWUCRTUBL-NSHDSACASA-N 351.752 2.972 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1OCCc2ccccc21 299743745 LZMGZBQTOBXXPZ-RBUKOAKNSA-N 364.401 2.594 0 50 FFAA O=C(O)COc1ccc(CCNC(=O)[C@@H]2SCCc3ccccc32)cc1 299750765 OHTMCOUFCPOKOQ-LJQANCHMSA-N 371.458 2.839 0 50 FFAA CCn1nc(-c2ccc(C(=O)N(C)Cc3cc(C)no3)cc2)nc1N(C)C 534634839 KSFJJRAHNPITDW-UHFFFAOYSA-N 368.441 2.600 0 50 FFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 184564581 XEJKXXPRFABUBS-VQIMIIECSA-N 374.481 2.662 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1noc(-c2ccccc2)n1 823118477 VMPUORSGWLNUOD-GOSISDBHSA-N 362.433 2.800 0 50 FFAA CN(Cc1cccnc1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 584892149 QILGZUWXSFNFRN-UHFFFAOYSA-N 352.438 2.659 0 50 FFAA Cc1noc([C@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1 584891888 OYQZSGURRWEIJG-HNNXBMFYSA-N 371.485 2.993 0 50 FFAA Cc1cccc(OC2CN(C(=O)c3csc(-c4ncccn4)n3)C2)c1 952972587 PEWRPDVUEYDDKJ-UHFFFAOYSA-N 352.419 2.812 0 50 FFAA COc1ccc(N2CCN(Cc3ncc(C)c(OC)c3C)[C@@H](C)C2=O)cc1 77303719 GFQKBVMSOFXEDN-INIZCTEOSA-N 369.465 2.953 0 50 FFAA Cc1oc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1C(=O)O 268936536 OAUAKNOLNHEKPJ-JTQLQIEISA-N 374.418 2.991 0 50 FFAA C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2CN2CCCCCC2)C1 170597865 ANCQCFNAOLCDHF-GOSISDBHSA-N 371.525 2.937 0 50 FFAA Cc1cc(S(=O)(=O)NCc2noc(-c3cccc(F)c3)n2)c(C)o1 170619796 FLJMVFIFOTXUOF-UHFFFAOYSA-N 351.359 2.564 0 50 FFAA CC1CCC(N2C[C@@H](C(=O)O[C@H](c3ncccn3)C3CC3)CC2=O)CC1 170609300 YTMOMYSPEAWXJO-KQZOUJJXSA-N 357.454 2.898 0 50 FFAA COc1cccc2c1CCN(C(=O)N[C@@H]1COc3ccccc3C1)CC2 194266979 BYKXMTOEYIOWEB-KRWDZBQOSA-N 352.434 2.809 0 50 FFAA Cc1ccc(C)c([C@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)c1 1506406778 JELKAFXFHSMKKS-GOSISDBHSA-N 356.422 2.870 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cnc12 1506398519 RAZDYECCTBRLKJ-INIZCTEOSA-N 362.433 2.702 0 50 FFAA Cc1c(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)[nH]c2ccc(F)cc12 1704300317 XRXHWQNHKZCCRM-UZLBHIALSA-N 373.428 2.627 0 50 FFAA CC(C)Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)n(C)n1 222531467 VWNZRGIGUUJMJS-SJORKVTESA-N 355.438 2.559 0 50 FFAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3cc(C)c(C)cc3C)CC2)O1 12035894 QFDGPZUHBXGEDU-HXUWFJFHSA-N 374.525 2.888 0 50 FFAA CCCCc1nc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)c[nH]1 12445740 CVKUXRQFGAKLJD-MRXNPFEDSA-N 355.486 2.789 0 50 FFAA COc1ccc(N2C(=O)CN(C(=O)c3cccc(OC)c3)CC2(C)C)cc1 14881506 ITSSHHRXSSHARI-UHFFFAOYSA-N 368.433 2.971 0 50 FFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCn2nccc2C1 1857695390 HXQZCNCCAXVLAL-CYBMUJFWSA-N 371.828 2.508 0 50 FFAA CCCCS(=O)(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857714834 OBEYBJKXAZEPJT-IXDOHACOSA-N 372.918 2.574 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)c1cc2c(nc1O)CCCC2 1857729610 RBUGZEBXGUVERD-UHFFFAOYSA-N 350.422 2.788 0 50 FFAA Cn1ccc2cc(-c3nccn3CCCN3CCC[C@@H](C(N)=O)C3)ccc21 1857730709 VIVJARWPTIQNSS-GOSISDBHSA-N 365.481 2.629 0 50 FFAA COc1cc(F)c(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)cc1OC 1857736801 WJDHNXZAVOSGPS-LBPRGKRZSA-N 359.401 2.717 0 50 FFAA O=C(NCCOc1ccc(F)cc1F)N1CC[C@]2(O)CCCC[C@H]2C1 121930494 BAFVNXXZVOXYKH-SCLBCKFNSA-N 354.397 2.680 0 50 FFAA CNC[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 237213952 MSIHDPJDAUNSMS-VIFPVBQESA-N 356.797 2.589 0 50 FFAA CCCNC(=O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 252483798 FIORGNHUSDERQA-UHFFFAOYSA-N 362.424 2.889 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 262042576 AQGOQHBTPMEURS-ANRSDYALSA-N 367.808 2.875 0 50 FFAA CN1CCC2(CCN(C(=O)c3ncccc3Oc3ccccc3)CC2)C1=O 374242668 ZPKQTAHCSAOIFE-UHFFFAOYSA-N 365.433 2.958 0 50 FFAA CN1CCC(CC(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)CC1 922760329 SWMCUCOVWRQZIX-UHFFFAOYSA-N 367.497 2.569 0 50 FFAA Cc1nn(C(C)C)cc1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2 847619368 AWLDLTMWAJDWEZ-UHFFFAOYSA-N 361.467 2.770 0 50 FFAA NCC1(c2ccccc2)CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 1857783209 YSGQUIDAJQXYPC-HXUWFJFHSA-N 363.461 2.699 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1nccc(-c2ccccc2F)n1 1875398837 GQWWRXNURIIROV-MORSLUCNSA-N 353.401 2.731 0 50 FFAA O=C(Cc1csc(C(=O)O)c1)NC[C@@H]1C[C@]12CCOc1ccccc12 1875306254 YMFBSCPQCNZIJQ-ORAYPTAESA-N 357.431 2.845 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCOC3(CCSCC3)CC2)cc1 1875370430 OILQLQRZAMBQHZ-UHFFFAOYSA-N 374.506 2.617 0 50 FFAA O=C(NC[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1c[nH]nc1-c1cccs1 1875404495 KUURQYDANIPHMC-XPTSAGLGSA-N 359.373 2.962 0 50 FFAA Cc1cc(N2CCC[C@@](O)(Cc3nc(C)no3)C2)c2cc(F)ccc2n1 886079084 HDHAVZZCLARTND-LJQANCHMSA-N 356.401 2.948 0 50 FFAA CCC[C@H](NC(=O)[C@H]1CCOC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1 888093301 SDLKNNIUWKTUTL-KBPBESRZSA-N 357.410 2.799 0 50 FFAA O=C(NCc1ccccc1)C(=O)N1CCC(OCc2ccccc2)CC1 1322836299 DSYJTGYZDALFFB-UHFFFAOYSA-N 352.434 2.511 0 50 FFAA COc1ccc(N2C(=O)CN(C(=O)c3cccnc3C)CC2(C)C)cc1 12122001 URMKRJFQTNPSRJ-UHFFFAOYSA-N 353.422 2.666 0 50 FFAA O=C1COc2ccc(CN[C@@H](CC3CCCCC3)[C@@H]3COCCO3)cc2N1 2325754559 RIRWEYGYNSPTRB-PXNSSMCTSA-N 374.481 2.862 0 50 FFAA O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@H]1CCC[C@@H](OC(F)F)C1 2325766444 UCUUPTVREZQZBN-JHSWMASBSA-N 366.364 2.697 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NC[C@@H]1CCC[C@H](c2ccccc2)CC1 2325797027 TULJVRXQGBCNHZ-QAPCUYQASA-N 356.466 2.910 0 50 FFAA O=C(c1ccc(Br)c(O)n1)N1CCC[C@@H]1Cc1ccncc1 2325804638 BDGBIDDGKPNDSW-GFCCVEGCSA-N 362.227 2.792 0 50 FFAA CN(C(=O)c1cc2cccn2c(O)n1)C1CCN(Cc2ccccc2)CC1 2325805656 ZQEFXSFPMBZPJY-UHFFFAOYSA-N 364.449 2.777 0 50 FFAA CC1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC[C@H](Nc3ncccn3)CC2)CC1 924367289 XMUSRPSQIAVXPS-BRWVUGGUSA-N 374.485 2.638 0 50 FFAA COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N(C)C)ccc23)cc1 780104 DYKHNQOIZGIDCM-UHFFFAOYSA-N 353.374 2.936 0 50 FFAA biogenic Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 1154474 GAIMHQPLZRETCJ-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1nc(-c2ccccc2)cs1 2356153976 CPFDOVHSIHEJHI-FQEVSTJZSA-N 371.506 2.759 0 50 FFAA CC(C)C(NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)C(C)C 4957233 GESAFSOIYKSZAC-UHFFFAOYSA-N 360.907 2.903 0 50 FFAA COC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10314259 IALXQVGOUDBYMK-AWEZNQCLSA-N 362.451 2.561 0 50 FFAA Cc1n[nH]c([C@@H](C)NC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)n1 55413072 WOCBECCLBIBREH-MRVPVSSYSA-N 353.785 2.502 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO 20454819 VOHJVWDOCAOOCB-FQEVSTJZSA-N 374.504 2.926 0 50 FFAA CCOc1ccc(NC(=O)C(=O)[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100721676 RCHNHGUXMZHGIG-QGZVFWFLSA-N 365.389 2.632 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn2c3c(cccc3c1=O)CC2 55576142 LDTAEPGTLALCNA-INIZCTEOSA-N 360.413 2.633 0 50 FFAA CCCN(CCC)Cc1ccc(C(=O)NCCc2cc(O)ncn2)cc1 65404885 WWPMTKDEOCVJIP-UHFFFAOYSA-N 356.470 2.777 0 50 FFAA CC(C)[C@H]1COC(=O)N1CC(=O)N1CCC(C(=O)c2ccccc2)CC1 20166464 YRZATHZMXYRGBH-QGZVFWFLSA-N 358.438 2.585 0 50 FFAA O=C(OC[C@@H]1CO[C@H](c2coc3ccccc3c2=O)O1)c1ccccc1O 4783893 DZTCQOVWNUHUJE-ODXCJYRJSA-N 368.341 2.770 0 50 FFAA CCc1ccc(NC2=N[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2)cc1 5794765 GROKGZOEYSGDHK-MRXNPFEDSA-N 354.385 2.683 0 50 FFAA CN(C)c1nc(NCCCN(C)c2ccccc2)cc(C2CC(N)C2)n1 219874685 NJBRTNFSPCVVLG-UHFFFAOYSA-N 354.502 2.686 0 50 FFAA CN(C)c1nc2c(c(NCc3ccc4c(c3)CC(C)(C)O4)n1)CCNC2 71750760 DVAPRJSKCHICHI-UHFFFAOYSA-N 353.470 2.514 0 50 FFAA COc1cc(CN[C@@H]2CCC(O)=N[C@H]2c2cnn(C)c2)c2c(c1)C[C@H](C)O2 328635586 NLOKVAQEADZBFK-WILYLXEWSA-N 370.453 2.702 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2scnc2C)[C@@H]1c1cnn(C)c1 328614260 ADYKNMWJCUOUPM-GOEBONIOSA-N 361.515 2.730 0 50 FFAA Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1N1C(=O)CNC1=O 478208913 QMGBWLXZQZWGIM-UHFFFAOYSA-N 362.389 2.645 0 50 FFAA C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc(-n2ccnc2)nc1 363166636 VQAZYUCWAHDXCT-HNNXBMFYSA-N 365.437 2.746 0 50 FFAA c1ccc(CNc2ncc(CN3CCC(c4ncon4)CC3)cn2)cc1 215038237 UQIWERLWNPDITG-UHFFFAOYSA-N 350.426 2.851 0 50 FFAA O=C(Nc1ccc(C(F)(F)F)nn1)N1CCC(c2ccncc2)CC1 332526285 FFXNPBJPCAXZQA-UHFFFAOYSA-N 351.332 3.302 0 50 FFAA O=C1CC[C@]2(CCCN(CCN3CCCC3)C2)CN1Cc1ccccc1 72422619 YPKMIISAJJCSLN-QFIPXVFZSA-N 355.526 2.987 0 50 FFAA Cc1cc(C)n(CCCNC[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)n1 242389454 ZXIATZZZZORWIN-SLFFLAALSA-N 361.530 2.850 0 50 FFAA Cn1nccc1[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333538296 RMELONRLPHPNCR-KBXCAEBGSA-N 355.442 2.736 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 72410734 ITHADBHEFZACMS-OAHLLOKOSA-N 363.417 2.545 0 50 FFAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c(C)s1 77388548 SVRJNTNASZWUTD-QMMMGPOBSA-N 362.908 2.837 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[C@](C)(C(=O)O)C1 263186919 SFKISTKQYIZIQB-GTNSWQLSSA-N 354.834 2.781 0 50 FFAA COCCN1C[C@@]2(CCCN(c3cc(C(F)(F)F)ccn3)C2)CCC1=O 77301929 SXROHZGRLOYJOX-KRWDZBQOSA-N 371.403 2.956 0 50 FFAA CCc1ccccc1NC(=O)[C@H](C)N1CCN(CC2CCOCC2)CC1 172428765 GDJNMWICJHTXNY-KRWDZBQOSA-N 359.514 2.620 0 50 FFAA COc1ccccc1NC(=O)Cn1nc(-c2ccccc2F)ccc1=O 49547733 ZGWATAFCNOEZFK-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CN(CCc1ccccn1)C(=O)NCCN1CC[C@H](c2ccccc2)C1 426677984 JOWHXUPPEPHUPS-IBGZPJMESA-N 352.482 2.755 0 50 FFAA Cc1ccc(SCCN(C)C(=O)Cn2nccc2[C@H]2CCCNC2)cc1 426589699 BSIYSKJNCYAEKJ-KRWDZBQOSA-N 372.538 2.909 0 50 FFAA CN(C)c1ccccc1-c1ccc(C(=O)NC[C@@](C)(O)CCCO)cc1 426440220 DQDUVRBOOBSTIH-NRFANRHFSA-N 356.466 2.673 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)CC1 95503333 GXYDJUVGWNFETG-KRWDZBQOSA-N 354.397 2.717 0 50 FFAA COc1ccc(-c2cc(CNC(=O)c3cn4ccsc4n3)no2)cc1 91737292 GZAJIUJQDKJTOS-UHFFFAOYSA-N 354.391 2.989 0 50 FFAA CCCOc1ccc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)cc1CO 426739833 SDAQGYOZSFMPTN-LJQANCHMSA-N 355.434 2.842 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)no1 91605148 WRTFQYWPZZUBDD-SFHVURJKSA-N 366.421 2.755 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccn(Cc2ccc(Cl)cc2)n1 239433425 XRAPTVVSQHWXCC-WRFANHODSA-N 353.809 2.896 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91819788 ZBKIJRHTEQCUHQ-INIZCTEOSA-N 364.453 2.563 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccc1C(F)(F)F)C2 91877232 KXQVEKLCHHXQOZ-GDBMZVCRSA-N 370.415 2.817 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)[nH]n2)s1 91390689 DVKGGEXAMZJSAJ-UHFFFAOYSA-N 356.451 2.998 0 50 FFAA CCn1cc(NC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nn1 96137911 RKZYPPKAFQVTHY-CYBMUJFWSA-N 353.430 2.661 0 50 FFAA CN1C(=O)CCc2cc(-c3csc(CCN4CCOC4=O)n3)ccc21 178837659 NQGDEZGLLJAMAL-UHFFFAOYSA-N 357.435 2.714 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(N3CCSCC3)CC2)cc1C 95367537 IWDYTHYAUDEFLX-SFHVURJKSA-N 364.511 2.643 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)NCc1ccc(Cl)cc1)C2 92065075 PNEVOUHYWRJNKS-NVXWUHKLSA-N 351.878 2.592 0 50 FFAA CCc1noc(C)c1C(=O)N1CCC[C@@]2(C3=CCOCC3)COCC[C@H]12 244633626 GGGLCLCWPLGVCP-PXNSSMCTSA-N 360.454 2.903 0 50 FFAA CCSc1nnc(NC(=O)CN2CCC[C@H]2c2cc(C)on2)s1 244787632 QAMWFVIBCIDMKJ-NSHDSACASA-N 353.473 2.722 0 50 FFAA O=C(NCCCSc1ccccc1)N1CCN(C(=O)c2ccc[nH]2)CC1 534632913 OTOCVKGKUUCZJF-UHFFFAOYSA-N 372.494 2.665 0 50 FFAA CCN1CCC[C@@H](NC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 534637824 OFJJAEALTRMKCJ-QGZVFWFLSA-N 351.454 2.653 0 50 FFAA COc1ccccc1Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263615230 BHMYAUGSBRKZJX-UHFFFAOYSA-N 361.401 2.712 0 50 FFAA COc1cccc(OCCN2CCN(c3cc(C(C)C)ncn3)CC2)c1 481839548 NSCRDCRYRMPDIX-UHFFFAOYSA-N 356.470 2.810 0 50 FFAA COCC(=O)Nc1cc(NC(=O)CCc2scnc2C)ccc1OC 824313374 ONWRCPIFJHJSIO-UHFFFAOYSA-N 363.439 2.616 0 50 FFAA CC[C@H]1CCCCN1CC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 822718126 JUGQQIYUFOJEKY-KRWDZBQOSA-N 360.502 2.698 0 50 FFAA Cc1csc(CCNC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)n1 584894462 GKJNNFNOTDKRNG-INIZCTEOSA-N 360.483 2.780 0 50 FFAA CCN1CCC(CNC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CC1 584898478 QMVJVGOETKPBEL-NRFANRHFSA-N 373.541 2.744 0 50 FFAA O=C(NCC[C@@H](O)CO)c1ccc(-c2cc(F)ccc2C(F)(F)F)cc1 584893500 XJBBHRJXXIMJGU-CQSZACIVSA-N 371.330 2.985 0 50 FFAA O=C(NCc1cccnc1-n1cncn1)[C@H]1CCCc2c1[nH]c1ccccc21 952989605 RLIUOMATILBAHO-KRWDZBQOSA-N 372.432 2.880 0 50 FFAA O=C(c1cccc(O)n1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565512420 LLGVWIVHDNGLNX-WHSLLNHNSA-N 366.417 2.898 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc(F)c(F)c1 1565511954 TXYQZEXIUMQPOU-GJZGRUSLSA-N 354.378 2.525 0 50 FFAA O=C(NCc1ccco1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275767751 BNHZDVAACXUXPB-MRXNPFEDSA-N 356.426 2.638 0 50 FFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(F)cc(F)c2)c1O 170597597 VHPHFARHQUPNGK-UHFFFAOYSA-N 357.334 2.566 0 50 FFAA CC(C)[C@H](C(=O)NCC1CCN(Cc2ccccc2)CC1)N1CCCC1=O 195185790 DJVCUTJUCLEZGT-OAQYLSRUSA-N 371.525 2.662 0 50 FFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCc1nnc(C2CCCC2)o1 760546448 VVUPBRYSKUQOFD-MRXNPFEDSA-N 355.442 2.952 0 50 FFAA Cc1ccc(N2CCC[C@H](NC(=O)c3csc(NC4CC4)n3)C2=O)cc1 769145747 GDWCBUSSSHAMLE-HNNXBMFYSA-N 370.478 2.951 0 50 FFAA CC(C)(C)C[C@H](Nc1cncc(C(=O)N2CCOCC2)n1)c1cccnc1 1506430625 XXLSYPZJPVOOOJ-INIZCTEOSA-N 369.469 2.933 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1Cl 1704301213 PBKWMNIQJZWMOS-HZPDHXFCSA-N 359.875 2.664 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1C[C@H](CO)[C@@H](CO)C1 221945686 UZGGUMMNCPZAIC-ZIAGYGMSSA-N 370.371 2.701 0 50 FFAA Cc1cccn2ncc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)c12 1772708524 DFUUXIWNRCXVTO-IBGZPJMESA-N 363.465 2.995 0 50 FFAA COCc1ccc(C(=O)N2CCO[C@@H](Cc3ccc(OC)cc3)C2)s1 12297734 HZNHAAGUOSWVLH-INIZCTEOSA-N 361.463 2.987 0 50 FFAA CCN(CC)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc23)ccc1C 18142832 RSISDQZDYLTMNA-UHFFFAOYSA-N 371.462 2.929 0 50 FFAA O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CCN(Cc2ccccc2)CC1 19894433 CMVOMXJXBDGTGL-FQEVSTJZSA-N 367.424 2.663 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCCCc2nc3ccccc3n2C)CC[C@H]1N 1857729982 LQNYYCFKCGZVQM-FRQCXROJSA-N 372.513 2.545 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)no1 329535421 LJRQZOXFRPQPOY-INIZCTEOSA-N 359.401 2.929 0 50 FFAA CS(=O)(=O)NC[C@@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 267180234 FHFXHYVYNSRKRX-LBPRGKRZSA-N 353.875 2.654 0 50 FFAA Cc1ccc(N2C[C@@H](C(=O)N(C)c3cnc4ccccc4n3)CC2=O)cc1 813285275 GVEUWBYAUCZPOD-HNNXBMFYSA-N 360.417 2.954 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Cl)nc2)CC1(C)C 1857779172 YSBSXHGWLRVHSI-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA FC(F)COCCN1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952893716 VIBBZASMTYMDIA-CYBMUJFWSA-N 355.307 2.735 0 50 FFAA O=C(c1cccc(-n2cncn2)n1)N1CCC[C@@H](c2ccc(F)c(O)c2)C1 1875299193 CDZVDEFRKAFUSH-CQSZACIVSA-N 367.384 2.527 0 50 FFAA O=C(NC[C@@H]1CC12CCC(O)CC2)[C@H](O)c1cccc(Br)c1 1875298768 MZHMHCWLMIHPIR-BUTPEJBISA-N 368.271 2.540 0 50 FFAA COC(=O)c1ccc(=NCc2ncc(Cc3ccccc3)n2C)[nH]c1C 1875299817 XGIQXNZTDOEJSC-UHFFFAOYSA-N 350.422 2.535 0 50 FFAA CN1CCC(N2CCC(Nc3nccn4nc(C(C)(C)C)cc34)CC2)CC1 1875307043 ISBLUPZTLHXBMA-UHFFFAOYSA-N 370.545 2.997 0 50 FFAA COC12CCC(C(=O)N[C@H]3C[C@H]4CC[C@@]3(Nc3ncccn3)C4)(CC1)C2 1875406613 IGKQJQVPDPZLII-LDGGTTKXSA-N 356.470 2.665 0 50 FFAA CN(C)c1ccc([S@@](C)(=O)=NCc2cnc(C3OCCO3)s2)cc1 895735071 SEQGBKFSNSLJJW-XMMPIXPASA-N 367.496 2.911 0 50 FFAA CCCCn1nc(CC(=O)NC)nc1-c1cc(-c2ccccc2F)[nH]n1 2100555046 KUHZQQJUHNMOKT-UHFFFAOYSA-N 356.405 2.563 0 50 FFAA COC(=O)c1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 2890021 UEELVVNQPFROIB-OAHLLOKOSA-N 356.403 2.915 0 50 FFAA CN(C(=O)c1nnn(-c2ccc(Br)cc2)c1N)c1ccccc1 16650976 JGTQLEDZBUYEJV-UHFFFAOYSA-N 372.226 2.889 0 50 FFAA CCOCc1nc(CS(=O)(=O)Cc2ccc3c(c2)OCO3)cs1 2325764803 BVHBVVQXBRBDKR-UHFFFAOYSA-N 355.437 2.523 0 50 FFAA N[C@H]1CCCN(C(=O)c2cnc(NCc3coc4ccc(F)cc34)cn2)C1 2325796244 CQSBXIAAJMMKGU-AWEZNQCLSA-N 369.400 2.537 0 50 FFAA COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O 754306 SDMYZAFOXJKZSN-PBHICJAKSA-N 368.389 2.579 0 50 FFAA biogenic CC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1)c1ccccc1 1088661 MMIQEAZQBGGRID-KRWDZBQOSA-N 360.435 2.644 0 50 FFAA CNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1186088 RWJNOCJKOLXQNR-UHFFFAOYSA-N 373.261 2.935 0 50 FFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1Cl 2070927 PSGBEMMRKDJSMA-HNNXBMFYSA-N 352.818 2.890 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 2808337 JZTMKWZSWJLPMC-IAGOWNOFSA-N 364.873 2.875 0 50 FFAA CCOC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCOCC1 4705145 GLCSPMWUVYKHCO-UHFFFAOYSA-N 368.433 2.881 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccsc1)C[C@H]1CCCO1 55243240 FSWDMNJAOWSCQX-MRXNPFEDSA-N 360.479 2.885 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@H]2c1ccccc1 101863649 DOKTZNJIEAKVSU-OKZBNKHCSA-N 367.836 2.876 0 50 FFAA CC(C)c1nc2c(n1C)CCN(C(=O)C[C@H](C)NC(=O)C1CCCC1)C2 112663803 KYZBTVMJYVQMGR-AWEZNQCLSA-N 360.502 2.513 0 50 FFAA COc1ccccc1NC(=O)CON=c1c(C)nc2ccccc2nc1C 1075132 DFPJGCYMBZYQTG-UHFFFAOYSA-N 364.405 2.726 0 50 FFAA COc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc(OC)c1 20451030 IJQVASIHVDLMAO-IBGZPJMESA-N 362.514 2.905 0 50 FFAA CC[C@@H](CO)N(Cc1ccc(C)s1)C(=O)c1csc(CN(C)C)n1 55414446 BJVUXQZMEOZVPS-ZDUSSCGKSA-N 367.540 2.988 0 50 FFAA CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 20102440 VYTYRFQBUYWLEO-UHFFFAOYSA-N 362.520 2.915 0 50 FFAA O=c1c2ccccc2nc(CNC[C@@H]2CCCO2)n1-c1ccc(F)cc1 55545164 XOJQQRIRRCRXEJ-INIZCTEOSA-N 353.397 2.793 0 50 FFAA COc1ccc(CCN2CCC[C@H](CN(C)Cc3cnn(C)c3)C2)cc1 20204272 ANWGXLWFCWMWQW-LJQANCHMSA-N 356.514 2.815 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCC[C@H](CCc2ccc(F)cc2)C1 72148598 VWHZZHLOCPVLTP-QGZVFWFLSA-N 356.507 2.752 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@@H](CO)C2CCSCC2)c1 72469099 BAEXHVBOXHBJOF-KRWDZBQOSA-N 351.512 2.624 0 50 FFAA c1ccc(-c2n[nH]cc2Cn2ccnc2-c2cc3n(n2)CCCNC3)cc1 72463177 HOZIPCDBDPQDAF-UHFFFAOYSA-N 359.437 2.678 0 50 FFAA CCN1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)CC1 32594171 GWMCXHWOEWPPEQ-KRWDZBQOSA-N 370.497 2.714 0 50 FFAA c1ccc(N2CCC(N[C@@H]3COCC[C@H]3Oc3ccccn3)CC2)cc1 219757400 MUXSSVNKUDAZDL-WOJBJXKFSA-N 353.466 2.877 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N[C@H](C)c2ccccn2)n1C 328628529 NULLQZYRDOFGLK-KDOFPFPSSA-N 354.454 2.985 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2csnc2C)cs1 328607721 WUDAISZEJWBTQW-JSGCOSHPSA-N 368.503 2.901 0 50 FFAA Cc1cc(C)cc(CN2CCN(Cc3cccc(CCN)c3)CC2=O)c1 72470424 QHWYUTDAVIMKLG-UHFFFAOYSA-N 351.494 2.649 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)C1 375159742 MSMDNDRTCYMLJD-MRXNPFEDSA-N 370.405 2.895 0 50 FFAA Cc1cc(C)n2c(C(=O)N[C@H]3CCCN(C4CCCCCC4)C3)nnc2n1 72149955 RFFHPGFYFFDGCA-INIZCTEOSA-N 370.501 2.658 0 50 FFAA C[C@]1(CN)CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 262172885 YQBSUTULIPKUIB-SIKLNZKXSA-N 365.477 2.745 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)c1 71775944 WUXOTOMJNNXEHV-UHFFFAOYSA-N 360.417 2.526 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC[C@@H](N)C2)cs1 157825774 QKNYHCWXSXHWBY-ROJDOSBLSA-N 357.479 2.993 0 50 FFAA CCc1csc(Cn2ccnc2-c2cnc(N3CCOCC3)s2)n1 71752027 GYCJKWAJQGRHSB-UHFFFAOYSA-N 361.496 2.910 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCCSc3nccn3C)cc2)n1 77385788 QJDRWAPJEXUVKK-UHFFFAOYSA-N 355.467 2.745 0 50 FFAA NC(=O)CCNC(=O)CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12 173016861 SUBMJVKEOYXESE-UHFFFAOYSA-N 353.397 2.898 0 50 FFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@H]2C=C[C@H]1C2 222442371 CDSWKSKNKCKUKH-DFEHZGFQSA-N 374.868 2.507 0 50 FFAA COc1ccc2c(C)c(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)oc2c1 222290216 DDQQGLCYQJYDKI-WFZFXDGQSA-N 369.421 2.725 0 50 FFAA COCCS(=O)(=O)c1ccc(C(=O)N2CCc3cc(C)c(C)cc32)cc1 285550836 BBBDHQRVOQJMDV-UHFFFAOYSA-N 373.474 2.926 0 50 FFAA COc1cccc(SCC(=O)N2CCC(Cc3noc(C)n3)CC2)c1 426422809 HJVJISJQAWIADX-UHFFFAOYSA-N 361.467 2.960 0 50 FFAA COc1cccc(CCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)c1F 263532618 NEZDIGDETVAZJO-MRXNPFEDSA-N 359.397 2.921 0 50 FFAA Nc1cc(-c2ccc(C(=O)N3CCCC4(CCNCC4)CC3)cc2)ncn1 426379577 AUCFFESVCQBPDE-UHFFFAOYSA-N 365.481 2.722 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCC[C@@](O)(CO)CC1 221254417 JNLKPMUCSUKQHO-NRFANRHFSA-N 355.434 2.615 0 50 FFAA CN1C(=O)[C@]2(CCCN(C(=O)NCc3cccs3)C2)c2ccccc21 426477384 LRPWMUSZBFQKNX-IBGZPJMESA-N 355.463 2.968 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO 82086638 JCRCGWVIPNPVJD-JOCHJYFZSA-N 367.493 2.822 0 50 FFAA COCc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)s1 82148194 ZXMGHXPVCOJIOB-AWEZNQCLSA-N 350.484 2.902 0 50 FFAA CN(C)C(=O)N1CCCn2nc(CNc3nc4ccccc4s3)cc2C1 85474719 ARUWSJXBSOMDIH-UHFFFAOYSA-N 370.482 2.992 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)CCc1n[nH]c2c1CCCC2 97527889 BFCCQUZVBAZFLU-UHFFFAOYSA-N 355.467 2.884 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)NC[C@H]1CCOc2ccccc2C1 95370131 TXOXIXBQXCWOFI-INIZCTEOSA-N 364.445 2.790 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 239203176 RWTKUHLOASKEEP-LBTBCDHLSA-N 374.868 2.820 0 50 FFAA CSCc1noc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)n1 91757566 HVAKEQPGVOYVAX-UHFFFAOYSA-N 364.515 2.547 0 50 FFAA C[C@H](Cc1cccs1)NC(=O)N1CCC(N2CCSCC2)CC1 426584129 UFSBIECMVFYNNS-CQSZACIVSA-N 353.557 2.902 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 95508404 ZRBJWNYGDIDSDH-OAHLLOKOSA-N 373.526 2.975 0 50 FFAA Cn1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 95521619 VFDJONMMDWPXER-LJQANCHMSA-N 369.425 2.584 0 50 FFAA C[C@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)N1CCN(C)CC1 92045811 ASHUBAVRWZWWMS-CQSZACIVSA-N 367.896 2.967 0 50 FFAA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccc(Cl)o3)C2)CC1 95503568 GDGSUAUCFMPEBC-HNNXBMFYSA-N 353.894 2.699 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c(C)c1 95384395 QDOSEIJZCYPSGX-HXUWFJFHSA-N 369.465 2.732 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCN1CCCc3ccccc31)C2 91594002 NZUUMGMQSCCKNQ-SFHVURJKSA-N 366.461 2.815 0 50 FFAA CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)CCO 95523025 HHIQCSBKYOJBRA-MRXNPFEDSA-N 372.431 2.801 0 50 FFAA COc1nccnc1N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95387542 MNWFIURUSSTKMY-OAHLLOKOSA-N 350.426 2.509 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3nccs3)C2)CN1CCc1ccccn1 92047030 VBANVTQSQZTJAQ-HXUWFJFHSA-N 370.522 2.985 0 50 FFAA CC1(C)SC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)NC1=O 95376002 MWCGZTYMVMGGCE-KRWDZBQOSA-N 360.523 2.868 0 50 FFAA Cc1cc(CC(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)on1 240825223 QOEDPVUPKKZEFU-NBQZKYEYSA-N 351.406 2.702 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(=O)n2cc(Cl)ccc2n1 294286819 UOXUIWZYEWZQQW-UGFHNGPFSA-N 361.829 2.566 0 50 FFAA Cc1noc(CCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 299585104 CMOAIKRYWCUDKL-UHFFFAOYSA-N 357.410 2.668 0 50 FFAA COC(=O)c1cn(CCc2c(C)[nH]c3ccc(F)cc23)cc2c(=O)[nH]nc1-2 263588842 ZDVASPDTUOZLLY-UHFFFAOYSA-N 368.368 2.634 0 50 FFAA CC(=O)N1CCO[C@H](CNC(=O)Nc2cccc(-c3ccccc3)c2)C1 299770954 TUMOFNSWOWORGT-LJQANCHMSA-N 353.422 2.722 0 50 FFAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1CCc1ccccn1 299796261 NLBMDBFNSLFBPK-LJQANCHMSA-N 371.456 2.813 0 50 FFAA NC(=O)CN1CCC(NC(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 299757740 MTMWJKCAKMGQKM-UHFFFAOYSA-N 370.428 2.564 0 50 FFAA CCCSCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 299788527 UQDMRWWQQFLVED-UHFFFAOYSA-N 352.475 2.937 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@@]2(CCOC2)C1 299780327 SHRNHRXPNCQPIF-CYBMUJFWSA-N 351.756 2.735 0 50 FFAA c1ccc(-c2nc(CCc3cccnc3)n(C[C@H]3COCCO3)n2)cc1 820430476 FYDQMDCLKBGBHK-SFHVURJKSA-N 350.422 2.541 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)NCC[C@H](C)N2CCCC2)CC1 584892616 FABJQRLFYODOGY-IBGZPJMESA-N 358.530 2.697 0 50 FFAA Cc1ncnc(C)c1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952988972 BDRNRYOWZHUSBN-UHFFFAOYSA-N 367.453 2.770 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)COc2ccccc2OCc2ccccc2)C1 269215651 YBTXTGZFDUINDD-MRXNPFEDSA-N 355.390 2.578 0 50 FFAA CCc1nc(CN2CCC(CNC(=O)c3nnc(C)s3)CC2)cs1 185431476 UJQYLBFYOQNTOD-UHFFFAOYSA-N 365.528 2.507 0 50 FFAA Cn1nc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1OC(F)F 185730377 COZCAOJXVYALHZ-UHFFFAOYSA-N 351.357 2.659 0 50 FFAA C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(-n2cccn2)c1 170010817 YYPNRTHKQAERHH-AHMROAQXSA-N 351.406 2.572 0 50 FFAA CCOC(=O)N1CC[C@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 170597995 PXKOWRAKHIUTGL-ZDUSSCGKSA-N 356.369 2.568 0 50 FFAA CN1CCN(c2ccc(NC(=O)[C@@H]3CCCc4c(O)cccc43)cn2)CC1 190053625 OIJDNLVMHVVXIV-GOSISDBHSA-N 366.465 2.598 0 50 FFAA C[C@H](CNC(=O)c1cc2sc(N(C)C)nc2s1)N1CCCCC1=O 194267406 YJJCFMIZTMXMFX-SNVBAGLBSA-N 366.512 2.555 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1cc(N2CCC(O)CC2)ncn1 1529186432 ZBISSBSTKOXRDI-UHFFFAOYSA-N 355.417 2.695 0 50 FFAA Cc1cc2nc(N3CCC(C(=O)N[C@H]4CCOC4)CC3)nc(C)c2cc1C 11783982 YMZLYCSLTOTTJS-KRWDZBQOSA-N 368.481 2.677 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 12138656 LONNRNMWQXKIAB-OAHLLOKOSA-N 356.422 2.777 0 50 FFAA Cc1occc1C(=O)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 12431834 KPPMDVMDUPUGAH-FQEVSTJZSA-N 353.422 2.638 0 50 FFAA CCCn1c(C)c(CC(=O)NCc2nnc(C)[nH]2)c2c1CC(C)(C)CC2=O 12472363 YSEVBANVBDEWIZ-UHFFFAOYSA-N 371.485 2.647 0 50 FFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CC(C)(C)C)CC2 14541312 QRHPQMGKMXBISQ-UHFFFAOYSA-N 358.486 2.746 0 50 FFAA CC[C@@H](C)n1nc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1C 329441288 JYRZLARITOELJI-SECBINFHSA-N 367.247 2.876 0 50 FFAA O=C(COc1ccc(F)cc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 219660862 QDHKOPRPQQWZFN-MJGOQNOKSA-N 369.440 2.723 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1sc3ccccc3c1C)C2 247971063 SIFKWNPILZTWMR-CABCVRRESA-N 372.490 2.919 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1CCC2(CC1)CCN(C)CC2 908500071 WBOGJRBQQHLYSF-UHFFFAOYSA-N 371.485 2.768 0 50 FFAA COc1ccc(F)cc1CN1CC[C@H](NC(=O)c2nccc3[nH]ccc23)C1 1875332355 PPMZRFICTJTIKZ-HNNXBMFYSA-N 368.412 2.715 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CC(C)(C)Oc3ccccc32)C1 1875379399 TVKGIUZCBAQZAN-HOTGVXAUSA-N 356.466 2.872 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@]2(CCCN2)C1)c1cnc(-c2ccco2)s1 1875393607 QFOCWINLVYNHQU-VOIUYBSRSA-N 365.480 2.927 0 50 FFAA COCC[C@H]1CCN(C(=O)Cn2cc([C@@H]3CCOC3)cn2)c2ccccc21 1875404515 LHHIAIYENWZCGA-IAGOWNOFSA-N 369.465 2.944 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCCCS3(=O)=O)cc2)c1C 2325780170 LZEHTYZMZUKCEN-KRWDZBQOSA-N 361.467 2.785 0 50 FFAA Cc1cc(Br)cn2c(CNC[C@@H](O)c3ccoc3)cnc12 2325797430 ULXMYSGSWDOGND-CQSZACIVSA-N 350.216 2.821 0 50 FFAA CC(=O)N(C)C[C@H]1CN(C(=O)c2ccc([C@H]3CCC3(C)C)cc2)CCO1 2325848295 CWYJBJZZECKACZ-RBUKOAKNSA-N 358.482 2.910 0 50 FFAA O=C(Cc1ccc(O)nn1)c1ccc(-c2cncc(-n3cccn3)c2)cc1 2325869515 RFRKSYJXWIKXGY-UHFFFAOYSA-N 357.373 2.855 0 50 FFAA O=S1(=O)C[C@@H](CNCc2c[nH]nc2-c2ccccc2F)c2ccccc21 1474156466 AFPPSIFVUIYOQE-CQSZACIVSA-N 371.437 2.877 0 50 FFAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 2356138015 FERMJZRZFFJAQC-ICSRJNTNSA-N 373.474 2.637 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NC2CCC2)C[C@H]1N=c1cc(C)nc(CC)[nH]1 2356139358 PSGFBRAAHGTKHU-CGTJXYLNSA-N 374.529 2.814 0 50 FFAA CO[C@H]1CC[C@H](NC(=O)CNC(=O)c2cc(Cl)ccc2Cl)CC1 2356143952 DHIOIJLYJWKXPO-HAQNSBGRSA-N 359.253 2.797 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3[C@H]4CCC[C@@H]3C[C@H](O)C4)c(O)n2)cc1 2356153957 BUAOXDDBEZWGGN-ZSHCYNCHSA-N 368.433 2.981 0 50 FFAA c1ccc2c3c([nH]c2c1)C1(CCN(CC2COCCOC2)CC1)OCC3 2356158527 NOIRIXRYTHEPKH-UHFFFAOYSA-N 356.466 2.695 0 50 FFAA CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4833667 UTZIPSBCUXIRFO-KRWDZBQOSA-N 362.426 2.683 0 50 FFAA C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(O)ccc1Cl 225474697 HMEIIWIRTHDCLG-HNNXBMFYSA-N 373.884 2.986 0 50 FFAA O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1ccco1 55060278 XFSUHSXPWAPLCG-UHFFFAOYSA-N 367.371 2.737 0 50 FFAA Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(C)n1C1CC1 136358065 IJABLRDJGVVLPK-QGZVFWFLSA-N 353.470 2.971 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCN(CCO)CC1 20909862 RQXWKLPMUZLMRE-FQEVSTJZSA-N 372.896 2.999 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCC(CO)(Cc2ccccc2)CC1 67641843 HETKRYFXBSOFMW-UHFFFAOYSA-N 372.509 2.623 0 50 FFAA Fc1ccccc1Cc1noc(CN2CCN(Cc3cccnc3)CC2)n1 22851618 XVYQSBURUIIYDW-UHFFFAOYSA-N 367.428 2.512 0 50 FFAA CC(=O)Nc1ccc2nc(-c3nccn3[C@@H]3CCCCNC3=O)ccc2c1 67821220 BFIDJQKMQLTLDO-GOSISDBHSA-N 363.421 2.898 0 50 FFAA Cc1cccc(-c2ncc(CN3CCCn4nc(C(=O)O)cc4C3)cn2)c1 65373652 NCOTVIDQALSGCW-UHFFFAOYSA-N 363.421 2.753 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H](C)C2=O)cc1 77391612 GDMXPBGDMJPGTI-INIZCTEOSA-N 354.454 2.646 0 50 FFAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3ncc(Br)s3)C2=O)o1 331500741 CXIDNYVMPVAZMU-CYBMUJFWSA-N 370.228 2.774 0 50 FFAA CC(C)O[C@H](C)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 67805592 LOMHDQMQBKDKPO-GFCCVEGCSA-N 358.394 2.769 0 50 FFAA COc1ccccc1CCC(=O)N1CCCN(Cc2c(C)noc2C)CC1 62615606 NMRBCTNECTUQQG-UHFFFAOYSA-N 371.481 2.967 0 50 FFAA CNc1nc(N2CCN(Cc3ccn(C(C)C)c3)CC2)nc2c1CCC2 67491095 HIFNTZSQTDPXEG-UHFFFAOYSA-N 354.502 2.712 0 50 FFAA COCCN(C)C(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71419118 JUFPHWAZMGOJBW-JOCHJYFZSA-N 366.461 2.638 0 50 FFAA CC(=O)N[C@H](C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1)C(C)C 229764346 LHDJIYBXPDNNKK-FVJLSDCUSA-N 373.541 2.941 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179204 JQBIIYXKEFVGST-YLXGYYMFSA-N 356.466 2.735 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)Cc2cnn(-c3ccccc3)c2)N1 215017587 GZQGLDDMQQZMDX-IBGZPJMESA-N 361.449 2.548 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2ccc(Cl)cn2)C1 72438157 QLUMCQXDELAAOJ-CQSZACIVSA-N 360.893 2.843 0 50 FFAA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)c3ccsc3)C2)c(=O)c1 328604451 JYSQPXKRVABFMO-HNNXBMFYSA-N 360.483 2.627 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC[C@H]2c2cnn(C)c2)n1 328624836 CQQWTPNZHYXAGN-AOIWGVFYSA-N 370.501 3.167 0 50 FFAA Cc1nn(CCO)cc1CN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 215302800 DPVOVRHCGGFPKR-GOSISDBHSA-N 357.433 2.926 0 50 FFAA CN[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 151041817 KIXYUAYMXIYZHP-ZDUSSCGKSA-N 352.360 2.715 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@H]2CCCCN2c2ccccc21 329307497 PPZIXLCPJBHKLZ-JKSUJKDBSA-N 362.495 2.607 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n[nH]1 331850369 QPIGNERMFNGOJP-JTQLQIEISA-N 355.364 2.744 0 50 FFAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(CCCc1ccccc1)C2 219202202 OYOWGSBPVHNHLD-OAQYLSRUSA-N 365.481 2.537 0 50 FFAA Cc1ccnc([C@H](NC(=O)c2cc(C(C)C)n3ncnc3n2)C2CC2)c1 215852244 BTBDQAOGANCDFR-QGZVFWFLSA-N 350.426 2.832 0 50 FFAA O=C(NCc1ccn(C2CCCC2)n1)c1cn(Cc2ccccc2)nn1 156543356 AOEJFGACGKMTBY-UHFFFAOYSA-N 350.426 2.568 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 131126030 KZAPQHYIIDEIFM-ZWKOTPCHSA-N 350.422 2.709 0 50 FFAA Cc1oncc1C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72156117 YWVFROHIFWISCJ-IPMKNSEASA-N 373.403 2.964 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@H]2CC23CCC3)CC1 72462918 QWMNZSQETLWPDK-CQSZACIVSA-N 359.422 2.710 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 262576173 JTKNPSTUCKRZLV-AWEZNQCLSA-N 367.478 2.677 0 50 FFAA Cc1ccc(CNC(=O)c2cccc(C(=O)O)c2)c(O[C@H]2CCOC2)c1 262711969 BUDXEPUNOZLTHD-KRWDZBQOSA-N 355.390 2.791 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@@H]1CC13CCC3)C(=O)N(C1CCCC1)C2 71755412 UHTFUNJICLPVEV-INIZCTEOSA-N 369.465 2.795 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 159015009 BQPDQORTTGIUFX-GXTWGEPZSA-N 374.418 2.674 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N[C@@H](C)c3ccc4[nH]ccc4c3)cc2C1 71776591 MPEROUMEGUBKNZ-ZDUSSCGKSA-N 365.437 2.608 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](CN2C(=O)CN(c3ccccc3)C2=O)C1 282321598 ZPKWOJQHKXXNRK-MRXNPFEDSA-N 363.417 2.618 0 50 FFAA O=C1C[C@H](Cc2ccc(C(=O)Nc3cccc4cccnc34)cc2)C(=O)N1 174167185 SWOPMMALHSMGPQ-INIZCTEOSA-N 359.385 2.692 0 50 FFAA O=C(N[C@H](c1noc([C@H]2CCc3[nH]ncc3C2)n1)C1CC1)c1ccccc1 289248034 YFWDJXNVMPOQBF-YOEHRIQHSA-N 363.421 2.946 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)NCCc2noc(C3CCCC3)n2)cc1 220547000 HVZRUJSSWWEYJR-UHFFFAOYSA-N 370.453 2.514 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)CN1CCCO 82108492 MZTNHNFIEGPZGH-KRWDZBQOSA-N 370.902 2.629 0 50 FFAA Cc1nc([C@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cs1 221294391 KLPRIPIYVXEKFY-LBPRGKRZSA-N 358.467 2.576 0 50 FFAA CN1CC[C@@H](NC(=O)NCc2ccc(CN)cc2)[C@@H](Cc2ccccc2)C1 426438917 RDULQGHQXSHKJE-LEWJYISDSA-N 366.509 2.508 0 50 FFAA CN(C)Cc1cccc(C(=O)Nc2ccccc2CN2CCOCC2)c1 81278536 JCPFTXKSJHXGAU-UHFFFAOYSA-N 353.466 2.833 0 50 FFAA COc1ccccc1N1CCN(Cc2cccc(-n3cccn3)c2)CC1=O 426465522 WYQNKYNWMNGSFL-UHFFFAOYSA-N 362.433 2.730 0 50 FFAA O=C([C@H]1COc2ccccc2C1)N1CCC(OCc2cccnc2)CC1 82145978 VCZQDVFPNJBYKY-GOSISDBHSA-N 352.434 2.841 0 50 FFAA CCC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 19606805 ZQPXSRTZFYHSFB-HXUWFJFHSA-N 368.477 2.841 0 50 FFAA Cc1ccc(OCc2occc2C(=O)NCCc2nnc(N)s2)cc1 222831177 NJRCHKWCQDHRQB-UHFFFAOYSA-N 358.423 2.573 0 50 FFAA COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1OC 82109078 UTNFSOMKDICXDO-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA CSCCCN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91586302 GUNGGCBVOVHCKV-UHFFFAOYSA-N 360.531 2.790 0 50 FFAA Cn1c([C@H]2CCCN(C(=O)NCCN3CCCC3)C2)nc2ccccc21 426683702 CWDCFZCIGMRYOZ-INIZCTEOSA-N 355.486 2.558 0 50 FFAA Cc1cnn(CC2CCN(C(=O)c3cc(C(C)(C)C)nc(O)n3)CC2)c1 426445470 HXEYDDCSKUWVBY-UHFFFAOYSA-N 357.458 2.537 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1ccc(C(N)=O)cc1)CC2 426470465 AGNYYIFOPBMWRO-SVFBPWRDSA-N 358.482 2.724 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)Cn2ncc3ccccc3c2=O)c(C)s1 91746812 UIYNZHMHAOJSJZ-NSHDSACASA-N 356.451 2.689 0 50 FFAA Cc1cccc(=O)n1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 95530193 PHKLDWXIIUMWHB-UHFFFAOYSA-N 367.493 2.963 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91892660 QKQLIVAQFOYZAA-DZGCQCFKSA-N 362.857 2.822 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)cc1C 91624915 XGKHBXDAFSURPA-KRWDZBQOSA-N 360.498 2.589 0 50 FFAA CCN1CCN(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)CC1 96150193 SRKGRYGHSDWWGR-UHFFFAOYSA-N 364.877 2.745 0 50 FFAA CCCc1cc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)on1 95391542 RWRFGWQNMKCBTF-UHFFFAOYSA-N 370.497 2.764 0 50 FFAA CNC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)o1 95385819 DVWWJFJCWSJKAU-FUHWJXTLSA-N 371.456 2.875 0 50 FFAA O=C(O)c1ccc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)s1 97642169 IGDFAEODFACYJK-CQSZACIVSA-N 359.451 2.798 0 50 FFAA COc1cccc(-c2cc(C(=O)NCCn3nc(C)c(Cl)c3C)[nH]n2)c1 91270219 FGBLBUAFMQPWED-UHFFFAOYSA-N 373.844 2.982 0 50 FFAA CCN1C[C@@H](C(=O)N(Cc2ccccc2)Cc2ncccc2C)CC1=O 91830983 UBUQDDLWKFOYOV-SFHVURJKSA-N 351.450 2.787 0 50 FFAA O=C(N[C@@H]1CCc2ccccc2C1)C1CCN(C(=O)c2ccccn2)CC1 244741874 NYGDRIDPXICAEC-LJQANCHMSA-N 363.461 2.608 0 50 FFAA Cc1cc(CN(C)C(=O)c2nc(N3CCCC3)nc3c2CCCC3)no1 244899419 ZJQGKBOFBBZLGD-UHFFFAOYSA-N 355.442 2.524 0 50 FFAA O=C(Cc1noc2ccccc12)N[C@H]1CCCN(Cc2cccnc2)C1 243885602 AATPWSXHEJVCBD-INIZCTEOSA-N 350.422 2.546 0 50 FFAA Cc1ccnc(SCC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1 244853026 VDZAVGKEYNCKEH-GOSISDBHSA-N 371.506 2.719 0 50 FFAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 299712251 UHBMKVNXWBYTFQ-SXLOBPIMSA-N 371.525 2.786 0 50 FFAA CSCC[C@H](C(=O)Nc1ccccc1-c1nnn(C)n1)n1cccc1 263588159 PYDKAARXLLLEQF-OAHLLOKOSA-N 356.455 2.612 0 50 FFAA COc1ccccc1-n1cc([C@H](C)NC(=O)N(C)CC2(C)COC2)cn1 534583425 UPRIRZWUZHOUDC-AWEZNQCLSA-N 358.442 2.620 0 50 FFAA O=C(NCCc1cccs1)c1nnn2c1CO[C@H](c1ccccc1)C2 263615078 ALOOQCOJYANRCJ-INIZCTEOSA-N 354.435 2.584 0 50 FFAA OCCOc1cccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c1 39357098 XCSUTNLAZPCXGM-QFIPXVFZSA-N 355.478 2.875 0 50 FFAA CCc1csc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)n1 823543156 RRGUNDMSDGMBPK-BAUKFBFWSA-N 371.510 2.909 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CN(C)Cc2ccncc2)cc1 823715038 JQBVDJBKMKGZNB-OAHLLOKOSA-N 352.438 2.667 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC(OCc3cccnc3)CC2)n[nH]1 828211770 RFSGRESMWSSZQD-UHFFFAOYSA-N 365.437 2.632 0 50 FFAA CC[C@@H](O)Cn1nc(COC)nc1-c1cccc(-n2nc(C)cc2C)c1 670457304 KLVXZSSVSSGKIC-QGZVFWFLSA-N 355.442 2.665 0 50 FFAA O=C(NCc1noc2cc(F)ccc12)N1CCC([C@@H]2CCCNC2)CC1 1332555744 AKRHVXRLJHLEOM-CQSZACIVSA-N 360.433 2.888 0 50 FFAA CC(C)Oc1ccc(C(=O)O)cc1NS(=O)(=O)c1cnn(C(C)C)c1 267862791 IVUURLQPVZCZJU-UHFFFAOYSA-N 367.427 2.750 0 50 FFAA Cc1cccc(OCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c1 1565507590 KDKJYLWWFRMWTF-MSOLQXFVSA-N 368.481 2.528 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCC(=O)N3)n1 97413299 ABYGQVIQHWDIIB-ZDUSSCGKSA-N 371.397 2.893 0 50 FFAA in-vitro O=C([C@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@@H](c2ccn[nH]2)C1 170676761 POYWEBUAGSNARZ-GDBMZVCRSA-N 372.494 2.872 0 50 FFAA C[C@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)CC[C@@H]1c1ccccc1 741808378 RZZYBGRMACHNSF-PXNSSMCTSA-N 372.509 2.914 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)NC1CCCCC1)CCCCC3 169749863 KACKOYWDYDRQRB-UHFFFAOYSA-N 356.470 2.682 0 50 FFAA CC(C)Oc1ccc(Cl)cc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616080072 ROIJVOWAOHAKFE-KSSFIOAISA-N 361.873 2.953 0 50 FFAA CCCC[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H](C2CC2)O1 1616069503 JCRZMXICPFITAV-WMZOPIPTSA-N 365.495 2.900 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c2cc(Cl)ccc2n1 1704312776 ZGDILBUNANTRPR-HIFRSBDPSA-N 359.857 2.599 0 50 FFAA CCc1cc(N[C@@H](CC(=O)O)c2ccccc2)nc(N2CCOCC2)n1 1704307201 VQGLDXDOHXOZFU-INIZCTEOSA-N 356.426 2.504 0 50 FFAA O=C(CCC1CCN(Cc2c(F)ccc(F)c2F)CC1)N1CCOCC1 12074985 IIPHGXKAEHLUMQ-UHFFFAOYSA-N 370.415 2.955 0 50 FFAA CSc1ncccc1C(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 12315011 YAELYDTVTNRCCY-CYBMUJFWSA-N 359.451 2.679 0 50 FFAA COC[C@H]1CCCN(c2nc3nonc3nc2NCc2cccs2)C1 12439093 MTLCNLRBSABCDK-NSHDSACASA-N 360.443 2.549 0 50 FFAA COc1ccccc1-n1c(=O)n(Cc2ccc(C)cc2)c(=O)c2cccnc21 12447734 DKPWGNYJEGOQBO-UHFFFAOYSA-N 373.412 2.913 0 50 FFAA COc1ccccc1NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl 13571490 WLUZFBCJUFIJHU-JTQLQIEISA-N 370.689 2.814 0 50 FFAA CS(=O)(=O)Nc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 13670495 XBSQZXWVNGOHQC-UHFFFAOYSA-N 350.415 2.560 0 50 FFAA COc1cccc(OCc2cc(C(=O)NCCc3cccc(C)n3)no2)c1 15076629 SSARMLROEPIMTC-UHFFFAOYSA-N 367.405 2.938 0 50 FFAA O=C(c1ccncc1)N1CCN(Cc2ccc(Br)cc2)CC1 19773420 KIMHZEJUOCLQBT-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA OCCOc1ccccc1CN[C@H]1CCCN(Cc2ccccc2F)C1 19788809 ZAHLBBUYJSCJNO-IBGZPJMESA-N 358.457 2.951 0 50 FFAA COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1 1857678086 AYWCNWIHILMKJW-SCWSEQNSSA-N 352.434 2.689 0 50 FFAA COc1ccc(-c2cnc(NC(=O)c3nnc4n3CCCCC4)[nH]2)cc1 1875244961 CYOHZVFFHGIMTB-UHFFFAOYSA-N 352.398 2.656 0 50 FFAA O=C(Cn1ccc2ccccc21)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 220221234 ATUDVXJPCSIEDT-AEFFLSMTSA-N 361.449 2.559 0 50 FFAA CCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O 225484674 IJWNUFTYMLJFEL-ZWKOTPCHSA-N 368.433 2.917 0 50 FFAA CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1coc3ccccc13)CC2 115291472 FFSFXVDMFXNGDO-UHFFFAOYSA-N 370.430 2.886 0 50 FFAA COC[C@@](C)(NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)O 237228586 AENVSXDESCKWHX-OAHLLOKOSA-N 354.815 2.683 0 50 FFAA COc1ccccc1N1CC[C@H](C)N(C(=O)c2n[nH]c3c2CCC3)CC1 364178271 DRGCVVXGKYUZKO-AWEZNQCLSA-N 354.454 2.648 0 50 FFAA Clc1ccc(-c2noc(CCN3CCN(c4cccnn4)CC3)n2)cc1 157763386 PPBPGBGHBKLTDH-UHFFFAOYSA-N 370.844 2.545 0 50 FFAA Cc1cccc2cc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)c(O)nc12 1704299401 PIMAZSYIVCJPDC-WIYYLYMNSA-N 355.482 2.527 0 50 FFAA C[C@@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(O)c1 935116932 FNISWVIFJDDCNL-WBVHZDCISA-N 352.434 2.661 0 50 FFAA COC(=O)/C=C/CCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 1875311764 MTPNXXNSBFSVKQ-GQCTYLIASA-N 356.426 2.739 0 50 FFAA COC1([C@@H](C)NC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCOCC1 884424178 PXHVIXSFHBUNLM-IPYPFGDCSA-N 364.408 2.945 0 50 FFAA CC[C@@]1(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC(OC)CC1 888102149 IKNIRLGMUCOSTK-IBGZPJMESA-N 366.527 2.829 0 50 FFAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Cn1ncc2ncccc21 2325793218 LIZGSZZOUFHUIY-IBGZPJMESA-N 370.428 2.789 0 50 FFAA CC(C)Cc1n[nH]c2ccc(C(=O)N3CCN[C@@H](c4cccnc4)C3)cc12 2325799161 YOGJEWMBWNMVNV-HXUWFJFHSA-N 363.465 2.943 0 50 FFAA C[C@@H](NC(=O)CN1CCn2ccnc2C1)c1ccc(-c2cccnc2)cc1 2325804497 SQIOMCMPHWEOOV-MRXNPFEDSA-N 361.449 2.638 0 50 FFAA CCNS(=O)(=O)c1ccc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)nc1 2325854882 ZYOMJIMGVIPIRX-UKRRQHHQSA-N 363.458 2.901 0 50 FFAA CC[C@H](C)CC(=O)NC[C@@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867167 NDLTVQWPQPTIOA-VQTPCSAVSA-N 351.535 2.554 0 50 FFAA CC1(C(=O)N2CC(NC(=O)c3ccc4c(c3)CCCCN4)C2)CC(F)C1 2325868077 OHKKBHJHIMLHHF-UHFFFAOYSA-N 359.445 2.514 0 50 FFAA COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)NCc1ccccc1 1058615 FGRBIWXDMKEHBA-GOSISDBHSA-N 367.474 2.804 0 50 FFAA Cc1cc(Br)c2c(c1)[C@@](O)(CC(=O)c1ccccn1)C(=O)N2 1127621 DUWMQXNODIJAKV-INIZCTEOSA-N 361.195 2.565 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 1133663 NBLLFOVIOXFHHS-UHFFFAOYSA-N 368.405 2.932 0 50 FFAA O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2545095 VWHKODOUMSMUAF-QGZVFWFLSA-N 371.389 2.890 0 50 FFAA in-vitro COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(O)cc3)cc1)C2 2356160062 BFFSYTBREVDFBR-RXVVDRJESA-N 353.418 2.794 0 50 FFAA CC1=NN(C(=O)CCc2ccc3c(c2)OCO3)[C@](O)(c2ccccc2)C1 4487020 WQLHPWIUEDFOPB-HXUWFJFHSA-N 352.390 2.801 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 4488066 YCNQCZGADFSSKL-SECBINFHSA-N 351.255 2.604 0 50 FFAA C[C@@H](C(=O)NCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 55042006 GRRLCEIYLMTZTA-ZDUSSCGKSA-N 366.870 2.811 0 50 FFAA Cn1c(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)nc2ccccc21 23145605 QOQDPMRVMZPTHK-IBGZPJMESA-N 364.493 2.642 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 54151096 TTXJACUUFKXCDA-LLVKDONJSA-N 356.813 2.924 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)CCO2)c1 112062332 CLFRLBZDIUYVFU-GOSISDBHSA-N 366.465 2.923 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NC(C)(C)C)CC3)CC2)n1 55167800 SJBCRKORKMLTGD-UHFFFAOYSA-N 372.557 2.981 0 50 FFAA CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 100018451 ANMATWQYLIFGOK-UHFFFAOYSA-N 374.374 2.525 0 50 FFAA investigational Cc1cc(CNC(=O)NCCc2ccccc2O)cc(N2CCCC2)n1 462271477 QBPDTAMXEDHYHH-UHFFFAOYSA-N 354.454 2.738 0 50 FFAA CC(C)Cn1c(CN2CCC[C@@H]2c2ccccn2)cnc1S(C)(=O)=O 55109259 LBHVEEMLTMCBPU-QGZVFWFLSA-N 362.499 2.675 0 50 FFAA Cn1nccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20410640 GWSMTGKZEFRFIC-UHFFFAOYSA-N 360.461 2.968 0 50 FFAA CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)Nc2c1ccc(N1CCCC1)c2C 67725421 DETGZHVNSJHVAT-CQSZACIVSA-N 368.437 2.969 0 50 FFAA C[C@@](CO)(CNC(=O)NCCc1ccc2c(c1)CCO2)Cc1ccccc1 252500740 TUUACHNBRRLLSU-QFIPXVFZSA-N 368.477 2.705 0 50 FFAA CN(C)c1ncc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 72150771 JABIUGXKNYYPFJ-OAHLLOKOSA-N 350.470 2.874 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)C2 230135265 IDDBTYZKTAYXMG-JUBNYVGKSA-N 355.482 2.761 0 50 FFAA C[C@@H]1CCc2sc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)cc2C1 72462603 AKNPHVKPPATWPS-GFCCVEGCSA-N 373.478 2.743 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCn2nc(CCC(=O)O)cc2C1)c1cccs1 72469294 WBRZHQNKSJFJQG-IBGZPJMESA-N 373.478 2.672 0 50 FFAA Cc1ccc(-n2cccn2)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 39387725 VJZFBJABFOELGF-OAQYLSRUSA-N 368.525 2.992 0 50 FFAA CCOC(=O)[C@@H](Cc1ccccc1)Sc1nnc(-c2cnccn2)n1C 122936796 YKAYMOTXQWTAKE-OAHLLOKOSA-N 369.450 2.539 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)Cn2cc3ccccc3n2)cc1 219917863 CABZRXYGZAZJEE-UHFFFAOYSA-N 361.405 2.751 0 50 FFAA OC[C@@H]1CCCCN1CCNc1cc(-c2ccc(F)cc2)nc2ccnn12 72479543 FEUFLOFLACUMOO-KRWDZBQOSA-N 369.444 2.794 0 50 FFAA COCCN1C[C@]2(CCCN(c3cc(C)nc(C(C)C)n3)C2)CCC1=O 77524973 IEFFHQYJRRODKW-HXUWFJFHSA-N 360.502 2.764 0 50 FFAA Cn1cc(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)cn1 154385209 UBDXHGOVECGUEG-UHFFFAOYSA-N 373.420 2.569 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cnn(C[C@H]3CCCO3)c2)c1 363998491 IGEIMNLDIFYNDK-SCLBCKFNSA-N 356.426 2.704 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cnn(C[C@@H]3CCCO3)c2)c1 363998485 IGEIMNLDIFYNDK-ACJLOTCBSA-N 356.426 2.704 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 364715332 ZLLYOTIHKRIKJC-PXNSSMCTSA-N 355.486 2.506 0 50 FFAA CC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C[C@H]2C)c(=O)[nH]c1C 77505369 MUMRIJOUWKBCIN-CQSZACIVSA-N 367.449 2.545 0 50 FFAA CN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3F)cn2)CC1 126440004 BSGTWRLRWXOTNW-UHFFFAOYSA-N 362.836 2.556 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 72453507 QCLUQIFNXVUMAD-HNNXBMFYSA-N 359.470 2.939 0 50 FFAA CCCc1nc(CN(Cc2nccn2C)[C@H]2CC23CCNCC3)cs1 262116249 LHQPELUOWLRYEL-INIZCTEOSA-N 359.543 2.973 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1 263105383 RKMWTFYPNMLKOA-GFCCVEGCSA-N 361.369 2.718 0 50 FFAA C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)C[C@H](c2ccsc2)O1 281500910 JNBAUZUAZBTRPB-WOZUBWMWSA-N 356.513 2.521 0 50 FFAA O=C(Cc1ccccc1OCc1ccccc1)N1CCC[C@@](O)(CO)CC1 221245870 BEIAOXALIRTGJB-QFIPXVFZSA-N 369.461 2.544 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)CCc2cn3ccccc3n2)CC1 82145816 OIXQUTMPHTYXQV-UHFFFAOYSA-N 363.465 2.709 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)C2)c1 82087812 FJXBGLKEHQMCMO-KRWDZBQOSA-N 354.381 2.850 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N[C@@H]1CCOC[C@H]1OCC1CC1 223969903 XRYLSKDIQMGJBS-CRAIPNDOSA-N 363.454 2.553 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)c(C)o1 82170498 HLEIQUXSDFPUGH-UHFFFAOYSA-N 370.453 2.555 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(Br)c2)C1 47977043 AATJBQLVTBQZNH-NSHDSACASA-N 354.248 2.781 0 50 FFAA Cc1nc(-c2ccccc2)c(C(=O)NCc2cc3n(n2)CCCNC3)s1 82160736 OYMGGABVJGRXIA-UHFFFAOYSA-N 367.478 2.738 0 50 FFAA COCCCn1cnnc1CNC(=O)c1ccc(-c2cc(C)ccn2)cc1 426690213 BQGKFDOLRGPLBA-UHFFFAOYSA-N 365.437 2.615 0 50 FFAA Cc1ccc(-c2ccccc2CN2CCCN([C@H]3COC[C@@H]3O)CC2)o1 97259355 GJXOWCPPKLQVSD-PMACEKPBSA-N 356.466 2.522 0 50 FFAA C[C@H](CC(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91664382 GCMIDUJSOAERCJ-GOSISDBHSA-N 372.509 2.794 0 50 FFAA COc1ccc(C(C)C)cc1CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91452715 SGVYDWDGLGWHPP-NRFANRHFSA-N 359.514 2.605 0 50 FFAA Cc1cc(NC(=O)N(C)Cc2n[nH]c3c2CCC3)ccc1N1CCCC1=O 96150231 CKLNVLHDHDKAEV-UHFFFAOYSA-N 367.453 2.998 0 50 FFAA COCC1(C(=O)NC[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCC1 97819585 HIFZQLGWEAAVIS-SFHVURJKSA-N 374.481 2.968 0 50 FFAA COc1ccccc1-n1nc(C2CC2)nc1CC[C@H](C)N1CCN(C)CC1 96139128 LUIOWGUYHQSKBK-INIZCTEOSA-N 369.513 2.722 0 50 FFAA CC(C)Oc1cccc(NC(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c1 96163550 SINHGXNVQGIKEN-UHFFFAOYSA-N 368.437 2.986 0 50 FFAA COc1cc(C)c(CN2CCN(c3ccc4nccn4n3)CC2)cc1C 97729660 YLTROBGFYSBPJW-UHFFFAOYSA-N 351.454 2.677 0 50 FFAA CN(C)c1nccnc1N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95377171 HFJJWVNYZCWXPJ-MRXNPFEDSA-N 363.469 2.566 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1 239309512 HQEBYMHZTNXSOO-PXQICXGYSA-N 370.836 2.722 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@H]13)O2 239339155 LTNZXUDWGSHFCN-YXMPFFBPSA-N 373.714 2.730 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccsc1)CC2 95522405 YJIGYLDWROMGQU-UHFFFAOYSA-N 356.495 2.757 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)[C@H](c1cccnc1)N1CCCC1 95355666 KWJUEEGWHPJWKX-FQEVSTJZSA-N 367.449 2.696 0 50 FFAA O=C(CN1C(=O)COc2cccnc21)N1CCC[C@H](c2ccccc2)CC1 95506107 WFLDMCDTBRBFSO-KRWDZBQOSA-N 365.433 2.603 0 50 FFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc2ccccc2c(=O)c1O 253412502 REOZKRLSNDNDPM-CYBMUJFWSA-N 370.357 2.908 0 50 FFAA biogenic COCC1(CNC(=O)c2ccc(-c3ccc(F)c(C(N)=O)c3)cc2)CC1 534576233 QGPHMEAXDYRXNN-UHFFFAOYSA-N 356.397 2.748 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc3cccc(C)c3nc1C)CC2 299783999 HIKUWRPTABTAER-PLMTUMEDSA-N 354.450 2.996 0 50 FFAA CN1C[C@@]2(CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)OC1=O 299786999 RBTYWPWIIRRAFY-QGZVFWFLSA-N 362.817 2.807 0 50 FFAA CNC(=O)c1cc(NC(=O)NC[C@H](C)n2nc(C)cc2C)ccc1Cl 299772372 ZVJUIMWAVLVJHN-LBPRGKRZSA-N 363.849 2.896 0 50 FFAA CSc1ccccc1C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 824944334 LGDCJKGRWCOZPR-BAUKFBFWSA-N 369.494 2.873 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@H]1CC(=O)N(Cc2ccncc2)C1 827763736 PNVCLOJAAIDIDR-ZDUSSCGKSA-N 361.804 2.539 0 50 FFAA COc1cccc(OC2CN(C(=O)NC[C@@H](C(C)C)N3CCCC3)C2)c1 670462212 LQAZVUUVOYKARI-IBGZPJMESA-N 361.486 2.588 0 50 FFAA COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C2CCCC2)C(C)C)c1 170610582 QCUPNDRHNVJKAY-SFHVURJKSA-N 362.470 2.859 0 50 FFAA Cn1c(C(=O)NCC[S@@](C)=O)ccc1-c1ccccc1Br 170629565 XLQBFJXBDIVGHW-OAQYLSRUSA-N 369.284 2.563 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1SCCc2ccccc21 170644375 CDVWCZVCXCSXCG-CQSZACIVSA-N 360.508 2.591 0 50 FFAA C[C@@H](NC(=O)NC1(c2ccc(Br)cc2)CC1)c1nncn1C 195118426 WKMDZYPCDJDSNC-SNVBAGLBSA-N 364.247 2.627 0 50 FFAA CC(C)Cc1nc(C[C@H]2C[C@H](C)NC(=S)N2)n(-c2ccccc2F)n1 209957090 BMGQAXAFWUWECR-QWHCGFSZSA-N 361.490 2.772 0 50 FFAA O=C(Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCOC1 11841936 XLINLPAIKYOBOY-MRXNPFEDSA-N 374.485 2.602 0 50 FFAA CC(C)Oc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)cc1 11902849 LEJSGNGWTSYGRN-UHFFFAOYSA-N 359.451 2.777 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2 11902965 AYZQRGQWPFMPCP-UHFFFAOYSA-N 365.842 2.651 0 50 FFAA Cc1nnc2ccc(SCC(=O)N3CC[C@@H](c4ccc(F)cc4)C3)nn12 11978001 ZEUNLOGHRKOEIY-CQSZACIVSA-N 371.441 2.680 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 12138657 LONNRNMWQXKIAB-HNNXBMFYSA-N 356.422 2.777 0 50 FFAA Cc1ccc(C)c(OCc2cc(C(=O)NCc3cnc(C)cn3)no2)c1 12205125 ZDMOMLJJTIKREP-UHFFFAOYSA-N 352.394 2.899 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1C 13648269 ORHAKAAOTKMOJM-GJZGRUSLSA-N 354.516 2.650 0 50 FFAA O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCCC1 19860673 HMTBQVLQNNWWEF-OAHLLOKOSA-N 370.902 2.504 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCCN(Cc2ccccc2F)CC1 1857670764 BJANJPCKYWJNTP-UHFFFAOYSA-N 357.429 2.886 0 50 FFAA CCCN1CCC(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)CC1 1857676780 SKAIIDSRDDSJQA-NRFANRHFSA-N 357.498 2.610 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)c1 1857687943 MJROAMMFMJJJBW-GOSISDBHSA-N 369.465 2.802 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCC([C@@H](O)CN2CCCCC2)CC1 1857718200 CLWKKHDEGWPXNM-SFHVURJKSA-N 373.522 2.995 0 50 FFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 216762842 HDPSZTOMPOWTED-CJNGLKHVSA-N 367.478 2.756 0 50 FFAA CN(C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 363777374 VVDKZASNXDQLEJ-CVEARBPZSA-N 364.921 2.759 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)c1ccccc1 156870324 SFSWULMRHNVJJP-MSOLQXFVSA-N 354.454 2.958 0 50 FFAA Cc1cc(C(=O)O)cc(C(=O)N[C@H](Cc2cnn[nH]2)c2ccccc2)c1 1875358535 ZGQQDCAPZYFKDC-QGZVFWFLSA-N 350.378 2.525 0 50 FFAA C[C@H]1CCN(c2cnc(F)cn2)C[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 1875333849 NXPYABOORTULBY-BBRMVZONSA-N 367.428 2.989 0 50 FFAA COc1cccc(CCNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1F 1875404619 OYOGJEQENSAXCU-NWDGAFQWSA-N 361.417 2.563 0 50 FFAA Nc1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2-n2cncn2)nn1 886079894 BFOAMOZXKHQBCU-OAHLLOKOSA-N 355.833 2.630 0 50 FFAA CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1 5444093 FIJAKGILZZNRAL-UHFFFAOYSA-N 353.220 2.882 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccn2)C[C@H]1Cc1ccccc1 2325775140 AAJALJZDYXSQSH-BRSBDYLESA-N 350.418 2.587 0 50 FFAA Cc1cc(C(=O)COC(=O)CCc2ccc3c(c2)NC(=O)CO3)c(C)o1 2325807887 CDWUAGHVHDULPQ-UHFFFAOYSA-N 357.362 2.586 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)cc2)c1C 880077352 SITURJKVCIETQO-GJWQZFMSSA-N 373.478 2.783 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)cc2)cc1 708979 FAYANWNONKEVAB-SFHVURJKSA-N 367.405 2.970 0 50 FFAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccccc1 1288533 XBQGNDKCPUFBHD-UHFFFAOYSA-N 353.403 2.669 0 50 FFAA Cc1nc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)nc(C)c1C 2356145334 LTIZJSZKMVALGV-UHFFFAOYSA-N 358.393 2.599 0 50 FFAA CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1=O 10462112 FQJAQWLNSPPLLD-KRWDZBQOSA-N 371.481 2.900 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 110061995 WFSSQFTYXQWVKM-LLVKDONJSA-N 360.483 2.613 0 50 FFAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3cc(C)nn3C)c2n1 20602198 HVSSSHBDYPVSRW-UHFFFAOYSA-N 366.347 2.748 0 50 FFAA CC(C)(C)c1cc([C@@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)n[nH]1 67689005 KGRVAMCTGYPEMH-CYBMUJFWSA-N 353.426 2.711 0 50 FFAA O=c1[nH]nc(CC2CCN(Cc3ccc(O)cc3)CC2)n1-c1ccccc1 67871575 DWBKLSLGKBWHQT-UHFFFAOYSA-N 364.449 2.721 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@H](C(=O)N2CCCC2)C1 67774552 MAHJGWKVLBNGPI-OAHLLOKOSA-N 352.438 2.551 0 50 FFAA Cc1nc(Cc2ccc(-n3cnnn3)cc2)n(-c2cccc3cccnc23)n1 63855597 OFPXBMLHTWIJLR-UHFFFAOYSA-N 368.404 2.690 0 50 FFAA CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O 22016632 WOCOTUDOVSLFOB-UHFFFAOYSA-N 351.403 2.614 0 50 FFAA in-vitro CC1CCN(C[C@H]2CCCN([C@H](C)C(=O)Nc3nccs3)C2)CC1 246220542 ZCLBWUPARFMOSQ-HZPDHXFCSA-N 350.532 2.914 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1c(C)c2cc(F)ccc2n1C)C(=O)O 67650055 PGIHWRJMPHTUAF-OAHLLOKOSA-N 358.373 2.521 0 50 FFAA C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C(=O)O 136510914 IKJKPUGGCUVLLS-ZWNOBZJWSA-N 356.216 2.682 0 50 FFAA Cc1cc(C)n(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(=O)c1 67789550 FIBLUHZMZPYMOL-UHFFFAOYSA-N 350.422 2.711 0 50 FFAA O=C(NCc1ccccc1Cl)c1ccc(=O)n(-c2ccccc2F)n1 119857778 HTUAQPJJFFHFSH-UHFFFAOYSA-N 357.772 2.955 0 50 FFAA COc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1OC 39485949 ZKUZKQZKDSJUIS-LJQANCHMSA-N 362.514 2.905 0 50 FFAA Cc1cc(F)cc(-n2nc(C(=O)N[C@H]3CC[C@H](O)CC3)c3c2CCC3)c1 424757675 APWLBOBQCWUYHC-KOMQPUFPSA-N 357.429 2.842 0 50 FFAA COCc1ncc(CN2CCC[C@@H](Cc3ccc(C(=O)O)cc3)C2)cn1 72138867 QSDVADUYGWGTOB-INIZCTEOSA-N 355.438 2.776 0 50 FFAA O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCCC[C@H]1CCO 12300297 QABFFCFGWLUORF-KRWDZBQOSA-N 352.438 2.790 0 50 FFAA CN(C[C@H](O)Cc1ccccc1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328635605 NMHAEDSLZJEQMM-HZPDHXFCSA-N 367.415 3.000 0 50 FFAA O=C(O)c1cc(C2=CCCCC2)cc(S(=O)(=O)NC[C@H]2CCCO2)c1 71770976 NJKSDPKTGPPKAD-MRXNPFEDSA-N 365.451 2.800 0 50 FFAA Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)COc2ccc(C(N)=O)cc2)C1 121741241 KMXSILCTMJJFDC-RDJZCZTQSA-N 352.434 2.877 0 50 FFAA CCc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@@H]2c2ncon2)CC1=O 123374591 ONGHFRNZYRWSRP-DOTOQJQBSA-N 368.437 2.739 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCCc3nc4ccccc4s3)cnc21 77517885 MTIWCEPPOSPXOC-UHFFFAOYSA-N 366.450 2.616 0 50 FFAA C[C@@H]1CSc2ccccc2CN1Cc1nnnn1CC1CCOCC1 373105566 APLJFXBNCGUQFW-CQSZACIVSA-N 359.499 2.596 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)C(=O)c3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72161602 XZFWNEPOGJRBTF-DFQSSKMNSA-N 364.445 2.860 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)c1OC 426701626 OQAWDODOGURHBE-CYBMUJFWSA-N 370.453 2.615 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1cc(=O)n(-c2ccccc2)[nH]1 220203402 OOGKYAUZNCYJDH-UHFFFAOYSA-N 374.400 2.523 0 50 FFAA CNc1nc(C)cc(N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)n1 426571605 NLQRALYZCHTLIU-QFIPXVFZSA-N 365.525 3.362 0 50 FFAA COc1ccc(C2(CNC(=O)N(C)C[C@H]3CC(=O)N(C)C3)CCCC2)cc1 426701427 NQMLMMRETBXLNK-INIZCTEOSA-N 373.497 2.627 0 50 FFAA CCc1cc(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)nc(N(C)C)n1 426649706 OZFIGHUOUHZXCT-SFHVURJKSA-N 367.497 2.548 0 50 FFAA O=C(CCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)NC1CCCC1 95361092 IRRFFYUGBZQKOX-QGZVFWFLSA-N 372.465 2.930 0 50 FFAA COc1ccc(CN2CCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 95524796 FVXZGNLQPJLARK-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA CCc1nc(C[C@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CCO2)no1 95528283 OVYYZJOXTGOLHW-INIZCTEOSA-N 356.426 2.596 0 50 FFAA Cn1nnc2c1C[C@H](c1nc(-c3ccc(N4CCCCC4)nc3)no1)CC2 290902171 FIGPPSKAIYDFDO-CYBMUJFWSA-N 365.441 2.523 0 50 FFAA Cc1csc2c(N3CCC(N[C@@H](C)Cc4cnccn4)CC3)ncnc12 95515261 MSBUFGZWAWNXRV-AWEZNQCLSA-N 368.510 2.979 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c2n1 97570906 URAJHUHKWJMHRS-HNNXBMFYSA-N 354.458 2.696 0 50 FFAA CC(C)c1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)nc2ncnn12 95367954 RHAAFFWDSZNZOK-AWEZNQCLSA-N 365.437 2.619 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cn1 91665546 GCDVKRFWQULFCT-UHFFFAOYSA-N 367.497 2.759 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)c2ccsc2)C1)c1n[nH]c2ccccc12 95505183 QHSQBULSRXTKOE-ZDUSSCGKSA-N 368.462 2.907 0 50 FFAA COc1ccc(C(=O)CCC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244647108 GVHQUXOIDYAJDR-QYWGDWMGSA-N 368.433 2.682 0 50 FFAA COC[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C 252497518 QJUDOSMFJGUKHP-LJQANCHMSA-N 370.497 2.526 0 50 FFAA COc1cc2c(cc1CNC(=O)c1c(C)oc3c1C(=O)CCC3)OCCO2 252481530 CNOKLJXWJFVTFN-UHFFFAOYSA-N 371.389 2.817 0 50 FFAA Cc1cc(O)c2cccc(C(=O)N3CCCO[C@@H](CN4CCCC4)C3)c2n1 253537297 KVSMHBXGGGNVOH-INIZCTEOSA-N 369.465 2.576 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)Nc1ncn(C2CCCCC2)n1 184601125 YJHIFZPNBJCCOO-UHFFFAOYSA-N 368.485 2.963 0 50 FFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)c(F)c1 263618506 UCYCJSWAJRWGSE-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA CN(C(=O)NCC1(Cn2cccn2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 534650572 XLWBMYHNDLCROD-LJQANCHMSA-N 367.497 2.579 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cccc(-c2ncc(F)c(N3CCCC3)n2)c1 534664679 JNFCYGBULSLHCA-INIZCTEOSA-N 370.428 2.792 0 50 FFAA O=C1NCCN(C(=O)c2cccc3ncsc23)[C@H]1c1cccc(F)c1 1940197652 GCUHCOIOALXJAJ-HNNXBMFYSA-N 355.394 2.749 0 50 FFAA COCCNCC[C@H]1CCC(=O)N1Cc1nc(-c2ccccc2)cs1 299785056 PXEZIBPXWUFMRJ-MRXNPFEDSA-N 359.495 2.927 0 50 FFAA Cc1nnc(SCCCNC(=O)Nc2ccc3c(c2)CC(=O)N3)s1 299791637 DSKPITWLXXVZFR-UHFFFAOYSA-N 363.468 2.645 0 50 FFAA Cc1nccn1[C@H](C)Cc1nc(-c2c[nH]c3ccccc23)nn1CCO 828776921 LUOLUPLELIZERL-CYBMUJFWSA-N 350.426 2.727 0 50 FFAA C[C@@](O)(COC(=O)CCc1ccncn1)c1ccc(Br)cc1 1344861751 ACMUCEBBQUROBZ-MRXNPFEDSA-N 365.227 2.623 0 50 FFAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1C[C@@H](O)[C@H](F)C1 952980009 QEIDJEZFLBSSJW-QZTJIDSGSA-N 369.371 2.833 0 50 FFAA COCCN(Cc1ccccn1)C(=O)c1cccc(Nc2cnccn2)c1 1442105627 MDZRTSQMOXAGNW-UHFFFAOYSA-N 363.421 2.904 0 50 FFAA CCc1cc(NCCCn2ccnc2C(C)C)nc(N2CCOCC2)n1 952966503 JCTIDILOZYICBF-UHFFFAOYSA-N 358.490 2.698 0 50 FFAA O=C(/C=C/c1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565510040 SKDWQFUFVTYQQV-LJFWHQRKSA-N 351.402 2.806 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2c(C)c(C)nc3ccc(C)cc23)[C@H]2CCO[C@H]21 1565528077 FLKSOKUPDXKRNV-MWHZBGGUSA-N 354.450 2.940 0 50 FFAA O=C(Nc1ccc(F)cn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 276025978 QSGDGICRGWFKHN-HNNXBMFYSA-N 371.416 2.901 0 50 FFAA CCC1(CC)CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 170600922 NUEWAESGGHNOBV-QRWLVFNGSA-N 363.502 2.916 0 50 FFAA CNc1ncnc2c1cnn2C[C@@H](O)c1ccc(OC(F)(F)F)cc1 193757176 URMLQFZGWLMEME-GFCCVEGCSA-N 353.304 2.500 0 50 FFAA Cc1cc(C)n2nc(S(=O)(=O)[C@H]3CCc4c(Cl)cccc43)nc2n1 195087056 FYYBKOLJTGQWCF-AWEZNQCLSA-N 362.842 2.856 0 50 FFAA C[C@H]1CC[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)N1 1704348927 HRQGSLZSJPNIPG-KSSFIOAISA-N 353.466 2.699 0 50 FFAA Cc1ccc2c(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)cnn2c1 1772712647 XPIPYPVFFULRJJ-HXUWFJFHSA-N 363.465 2.995 0 50 FFAA CCCOc1ccccc1-c1nnc(NCCN2CCC(CO)CC2)o1 1772710354 PZTKHFDSDRKDCM-UHFFFAOYSA-N 360.458 2.642 0 50 FFAA O=C(NCc1cccn2nccc12)[C@H]1CCCCN1C(=O)c1ccccc1 1772810499 IUFKABKWXWPWSQ-LJQANCHMSA-N 362.433 2.645 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2=O)c1 11662853 VCSKHFBMKSKLJB-OAQYLSRUSA-N 368.433 2.943 0 50 FFAA O=C(CC(F)(F)F)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11879684 LGTUYRLAHTUYSM-JTQLQIEISA-N 368.277 2.875 0 50 FFAA CC[C@H](C)NC(=O)CC[C@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1 12040378 ZYBJHKPHXWNRNJ-VBKZILBWSA-N 362.470 2.590 0 50 FFAA CN(C(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccccc1 13671464 KTASRJJSKSAPFP-UHFFFAOYSA-N 352.843 2.769 0 50 FFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](NCC1CC1)CC2 14542378 DTSLRZDQLGCYCK-KRWDZBQOSA-N 352.482 2.549 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc[n+]([O-])c2)C1 14958170 NPWBBWWNDOZAAS-GOSISDBHSA-N 362.433 2.949 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1=O 14981073 DMIXSQYZBIOOAS-SFHVURJKSA-N 368.836 2.580 0 50 FFAA COc1ccc(OC)c(CN2CCN(C(=O)c3ccccc3F)CC2)c1 19773564 MYSPRFUXOOZDTA-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CC(C(=O)NCCCN1CCOCC1)(c1ccccc1)c1ccccc1 19791448 HUKHMPHUNVLYAN-UHFFFAOYSA-N 352.478 2.831 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C)s1 1857683138 WFKJDAFQHZEEMM-WOSRLPQWSA-N 357.497 2.941 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCO 1857715585 YQZDJFQXHFHGKW-GFCCVEGCSA-N 351.834 2.586 0 50 FFAA CO[C@@H]1CCN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)C1 1857719422 KTFHQDQAEUOPQA-CQSZACIVSA-N 363.845 2.945 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3CCN4[C@@H](C)COC[C@H]4C3)c2)c1 1857721741 DFPKEAXGPUKABT-OXJNMPFZSA-N 366.461 2.907 0 50 FFAA CC(C)[C@H]1CN(Cc2nc(O)c3cnn(C)c3n2)C[C@@H](c2ccccc2)O1 1875241297 UHHZZWDOSPZLIX-SJORKVTESA-N 367.453 2.667 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2)n[nH]1 408513823 SWSNDZJHLOZNPE-OAGGEKHMSA-N 354.410 2.638 0 50 FFAA CCc1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)CC2 114978377 TXJCYHLXTRJGLO-HNNXBMFYSA-N 357.433 2.669 0 50 FFAA COc1ccc2c(c1)OC[C@H](NC(=O)c1cc(Br)cn1C)C2 332206873 YVBFHGCZBIDDGR-GFCCVEGCSA-N 365.227 2.530 0 50 FFAA COCc1cc(=O)[nH]c(-c2ccccc2CN(C)CCc2ccccn2)n1 23505795 ZZIYBSZILVNFBA-UHFFFAOYSA-N 364.449 2.653 0 50 FFAA Cn1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)c(-c2ccccc2Cl)n1 375397273 JLROZLWSAJOYRR-RDJZCZTQSA-N 372.856 2.528 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@]1(CC(=O)O)CCOC1 262962371 MCHUIYCVDQPFCS-RFAUZJTJSA-N 362.209 2.511 0 50 FFAA CN(C)C(=O)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1 264934669 QVIDNEALQULHHF-UHFFFAOYSA-N 371.525 2.663 0 50 FFAA CC[C@@H](C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCC(C)CC1 909986390 IZIWDYAPRZJMCQ-ZBCRRDGASA-N 362.474 2.992 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)c1 864924405 AVATVYQJROZONT-JQFCIGGWSA-N 356.422 2.757 0 50 FFAA O=C(C[C@H]1OCc2ccccc21)NS(=O)(=O)Cc1c(F)cccc1F 1875289350 KXVDHYXCKNWLAX-MRXNPFEDSA-N 367.373 2.572 0 50 FFAA COc1cccc(-c2nc(C)c(C(=O)N3CC[C@H](c4cc[nH]n4)C3)[nH]2)c1 1875285910 GFQZKBVMRNKJBJ-AWEZNQCLSA-N 351.410 2.747 0 50 FFAA O=C(NOCc1ccc(C(F)(F)F)cn1)c1cnn(-c2ccccc2)n1 1875259157 WSGHRRYVSLJKTJ-UHFFFAOYSA-N 363.299 2.543 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCOC(C)(C)C2)C1 1875259799 PLHWRASXXAMLSH-GJZGRUSLSA-N 362.474 2.669 0 50 FFAA C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccccc2CN)C1=O 1875315050 GEPOZELDBGQCBG-LIRRHRJNSA-N 369.440 2.766 0 50 FFAA C[C@]1(CNC(=O)[C@H]2OC(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1875309112 RNLGGCBERFEURQ-SIKLNZKXSA-N 364.445 2.927 0 50 FFAA C=CC(=O)N(CC)CC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F 900048460 GHBBVGPAKDDJHT-NSHDSACASA-N 350.369 2.643 0 50 FFAA CCc1nc([C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)n(CCOC)n1 2100534531 MSVVACLBFNYPBW-MOPGFXCFSA-N 372.469 2.537 0 50 FFAA COc1cc2ccccc2cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1518179 YKDSVJAOPMSGAB-UHFFFAOYSA-N 356.403 2.748 0 50 FFAA CCN1CC[C@H](N(CCNC(=O)C[C@@H]2CCCCC2(C)C)C2CC2)C1=O 2325793713 FFBPTCJQDDKMTQ-WMZOPIPTSA-N 363.546 2.794 0 50 FFAA Cn1nnc2c(CN3CC(Oc4ccc(Br)cc4)C3)cccc21 2325857375 ZJNKHEGNGQPGLQ-UHFFFAOYSA-N 373.254 2.994 0 50 FFAA CS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 117360609 VXSWXJQKMRZBKK-UHFFFAOYSA-N 374.447 2.829 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(Br)c1 647170 HRGRJJCZJSAAOT-LBPRGKRZSA-N 357.179 2.779 0 50 FFAA O=C(Nc1ccccn1)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 794591 YWBYNQIDGROGDX-CVEARBPZSA-N 365.389 2.939 0 50 FFAA COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 796672 GILCNPWRCBPFBD-HNNXBMFYSA-N 374.462 2.735 0 50 FFAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccccc2)NC(=O)N1 844461 ZCODHUILFDVDJC-SFHVURJKSA-N 366.373 2.787 0 50 FFAA COCCNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2916255 CFZKTGOAOXQXBF-UHFFFAOYSA-N 370.356 2.853 0 50 FFAA CC(C)(C)c1ccc(OC[C@H](O)CNC(=O)c2ccccc2C(=O)O)cc1 4122026 SDKHNHXSAASUNH-OAHLLOKOSA-N 371.433 2.852 0 50 FFAA COc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1OC 4511752 LZOUVWZQKZXAJT-UHFFFAOYSA-N 353.407 2.856 0 50 FFAA COc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCCCC1)S(C)(=O)=O 6730062 XATGQZCURCHGPM-LBPRGKRZSA-N 374.890 2.516 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3c(O)n[nH]c3C)cc2)o1 55385307 WLWYCTCXFTUWJO-UHFFFAOYSA-N 354.366 2.759 0 50 FFAA Cc1cc(C(=O)N(C)C/C=C/c2ccccc2)cc(S(N)(=O)=O)c1C 55575811 YAZNSMPFMCKOJR-JXMROGBWSA-N 358.463 2.736 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C/C=C/c1ccccc1)CC(C)C 55054601 KDBJDKKGKDCVDL-OSICKASQSA-N 368.481 2.655 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 246717396 LDAOVOYEGCOGJD-ULQDDVLXSA-N 351.402 2.681 0 50 FFAA O=C(NCCc1ccccn1)c1cc(CN2CCc3ccccc3C2)on1 20256429 QJIZXFNWPSGCDJ-UHFFFAOYSA-N 362.433 2.600 0 50 FFAA CSCC[C@@H](CO)NC(=O)Cn1ccc2cc(Br)ccc21 170622181 NMCXEFZLLYNPST-ZDUSSCGKSA-N 371.300 2.634 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)CCc3cccs3)CC2)c1 29111330 VNBACBNFXZINBH-UHFFFAOYSA-N 358.463 2.674 0 50 FFAA CCn1c([C@@H]2CCCNC2)nn(Cc2csc(-c3ccccc3)n2)c1=O 67908972 GFEXRYGBTYXZNZ-OAHLLOKOSA-N 369.494 2.704 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(COc3ccccc3)[nH]n2)n1 67743532 HWXLECAACOQMKR-AWEZNQCLSA-N 353.426 2.621 0 50 FFAA CCOCCNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67689305 AQIKTYFTCQJNAV-UHFFFAOYSA-N 361.423 2.938 0 50 FFAA CC(=O)N1C(=O)[C@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21 12364174 ZZUKQGAYZFRTEE-GOSISDBHSA-N 356.378 2.652 0 50 FFAA c1cncc([C@@H]2CN(Cc3ccc(OCCn4ccnc4)cc3)CCO2)c1 215143909 ASHODRSSIAQYGQ-NRFANRHFSA-N 364.449 2.931 0 50 FFAA COC(=O)[C@](O)(CC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F 2766914 PZHAHZUTPOBPBA-LLVKDONJSA-N 359.222 2.500 0 50 FFAA COc1cccc(-n2cc(CN(C)Cc3ccc(N(C)C)nc3)cn2)c1 72156181 VDGVUDVHCNIMCT-UHFFFAOYSA-N 351.454 2.974 0 50 FFAA COc1cc(OC)c(C(=O)Nc2nnc(C(F)(F)F)s2)cc1OC 6735493 OPSJQUIZVXZIIY-UHFFFAOYSA-N 363.317 2.835 0 50 FFAA Cn1ncc2c(NCCc3noc([C@@H]4CCCO4)n3)nc(C(C)(C)C)nc21 72161108 YMHAZHUHNOGMRJ-LBPRGKRZSA-N 371.445 2.550 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@H]1CCOC2(CCOCC2)C1 77454405 GMPYHBSXQNMCRV-AWEZNQCLSA-N 363.845 2.754 0 50 FFAA O=C1[C@H](N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CCN1CC(F)(F)F 328656292 ZFUIMXOWFYGVLJ-ZIAGYGMSSA-N 356.392 2.589 0 50 FFAA Cn1c([C@H]2CCCN2Cc2cc(=O)n3ccsc3n2)nc2c1CCCC2 328637479 OQQUWMHHYLLURA-MRXNPFEDSA-N 369.494 2.705 0 50 FFAA COc1ccc(CNC(=O)NCc2ccccc2-n2ccnc2)cc1O 363209269 MLFUZLZAYOBOOU-UHFFFAOYSA-N 352.394 2.586 0 50 FFAA O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 125034433 YUJLZMDWTLXNOU-HNNXBMFYSA-N 353.397 2.600 0 50 FFAA Cc1nc(C(C)C)sc1CNC(=O)CCn1cnc2ccccc2c1=O 219758754 RASXMZZAUWFHFZ-UHFFFAOYSA-N 370.478 2.991 0 50 FFAA CCCc1nc(C(=O)N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1 72133012 VXWYBGUNQGATGN-HNNXBMFYSA-N 369.490 2.594 0 50 FFAA COc1ccnc(N2CCC(C(=O)N(C)c3nc4ccccc4o3)CC2)n1 122853164 LQDFCYWXDAMGML-UHFFFAOYSA-N 367.409 2.506 0 50 FFAA Oc1cccc([C@@H]2CN(Cc3ncccc3F)[C@@H]3C4CCN(CC4)[C@H]23)c1 72170099 FDDMECTWHPIMHZ-IOMROCGXSA-N 353.441 2.989 0 50 FFAA CCc1nnsc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71749621 HDCAMJNNEHBNKY-CGTJXYLNSA-N 368.506 2.803 0 50 FFAA COc1ccc2[nH]c(=O)c(CN(C)Cc3ccc4nonc4c3)cc2c1 216030957 PRYUTEUDORWRMW-UHFFFAOYSA-N 350.378 2.705 0 50 FFAA Cc1nn(C)c2ncc(CN3CCCN(c4ncccc4F)CC3)cc12 372504386 MOMBXSJSXFYWQT-UHFFFAOYSA-N 354.433 2.523 0 50 FFAA Cc1cccc(O[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C(C)C)c1 223220021 VGRZAFBLWOBSIZ-LJQANCHMSA-N 369.465 2.711 0 50 FFAA CCN1CCC[C@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 426658498 QFLGCEIHVPTZGE-SFHVURJKSA-N 364.921 2.652 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)c2)nn1 426589896 BWWIPMOISPGCOV-IBGZPJMESA-N 367.449 2.598 0 50 FFAA C[C@@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1cccn1 20607019 JJJHXMXBRFFRPK-VIFPVBQESA-N 371.388 2.916 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C)cc13)C2 91846769 NMMGRCRKDJVDII-JKSUJKDBSA-N 366.465 2.901 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)CCc3cn[nH]c3)CC2=O)cc1 91830350 QMHSQHGEBPVYSV-QGZVFWFLSA-N 354.454 2.587 0 50 FFAA COc1ccccc1Cc1nc(C2(N3CCOCC3)CCCCC2)n(C)n1 95516943 QOTSLUVUSDEKSI-UHFFFAOYSA-N 370.497 2.906 0 50 FFAA CN1CCN(C)[C@H](CNC(=O)Nc2ccccc2Oc2ccccc2F)C1 97698651 PYXSWDZHRRRMTQ-OAHLLOKOSA-N 372.444 2.985 0 50 FFAA COCCN1CCC(CN(C)C(=O)N[C@@H](C)Cc2cccs2)CC1 426504478 MHGZEEJLGTXYJK-HNNXBMFYSA-N 353.532 2.679 0 50 FFAA CCn1nc(Cn2cncn2)nc1[C@H]1CCCCN1Cc1ccccc1 96153505 YELINUSJGOWFOI-QGZVFWFLSA-N 351.458 2.665 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc(-c2cc[nH]n2)cc1 97619693 CBCAGRUYOOOSGS-UHFFFAOYSA-N 361.449 2.866 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCCO[C@H](CN4CCOCC4)C3)oc2c1 91410417 BZPCSNITJBFCMJ-QGZVFWFLSA-N 372.465 2.613 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N[C@H](c3nccn3C)C(C)C)c(=O)[nH]2)cc1 91859662 UGZWAUQLQJVDRP-INIZCTEOSA-N 365.437 2.606 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)no1 91846472 YVCVPDHOCWBNFR-INIZCTEOSA-N 365.437 2.897 0 50 FFAA Cc1cccc(C(C)C)c1NC(=O)CN1CCC(N2CCOCC2)CC1 244852726 UXNDTFFZGOFLOY-UHFFFAOYSA-N 359.514 2.854 0 50 FFAA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 183679714 FZBGGDWPLFMYOW-INIZCTEOSA-N 355.442 2.602 0 50 FFAA CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cccc1 263586485 UXNKIADCKLQAAW-ZIFCJYIRSA-N 353.466 2.883 0 50 FFAA biogenic CCCCn1nccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccnc1 299800879 SXNCTJVJSPVFSP-GOSISDBHSA-N 365.441 2.981 0 50 FFAA CCNc1nc(C)c(C(=O)NCCn2nc(C(F)(F)F)cc2C)s1 299788002 VLPYKCNZMRZQSJ-UHFFFAOYSA-N 361.393 2.837 0 50 FFAA Cc1oc(-c2ccccc2)nc1Cc1nc(CC(N)=O)nn1C(C)(C)C 826841815 BQSAZOCUCPPEJV-UHFFFAOYSA-N 353.426 2.615 0 50 FFAA O=C([C@H]1CCCC[C@H]1C(=O)N1CC(Oc2ccccc2F)C1)N1CCCC1 1565508167 GZBRAEJOQBUIIY-DLBZAZTESA-N 374.456 2.844 0 50 FFAA O=C(CCc1cccc(OC2CCCC2)c1)NCc1nnnn1CC1CC1 170597985 JNFUABUFRQROBW-UHFFFAOYSA-N 369.469 2.654 0 50 FFAA O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@H]1c1ccn[nH]1 170617855 KEKIRCKWHGMQHX-ZDUSSCGKSA-N 373.356 2.681 0 50 FFAA CN(CCOc1ccc(F)cc1)C(=O)Cc1cccc(N2CCOCC2)c1 170607868 VUDCDPFKGSUWMU-UHFFFAOYSA-N 372.440 2.742 0 50 FFAA COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3nnnn3C3CC3)s2)cc1 191692766 UWKPWKJOUMMBOX-JTQLQIEISA-N 370.438 2.631 0 50 FFAA COc1cc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)ccc1OCC(=O)O 1704313438 NNXRKBQHDZZXOQ-QUCCMNQESA-N 363.454 2.940 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cc[nH]n2)C1 11819082 CGIUYHCZVOBCSF-HXUWFJFHSA-N 357.454 2.806 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)nn1C 12024690 NZQAXGPRAZPRQH-HNNXBMFYSA-N 367.371 2.831 0 50 FFAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 12704874 MTEAYZBDTYUAEZ-LJQANCHMSA-N 373.541 2.638 0 50 FFAA Cc1cc(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)on1 19740863 MRIHSWSTLCFPKC-UHFFFAOYSA-N 373.482 2.950 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCOCC1 238069710 BCNJWUBNIBODFL-CVEARBPZSA-N 351.830 2.926 0 50 FFAA Cc1nc(C[C@@H]2CCCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)no1 249289053 QILPJVVJPOOFFK-HIFRSBDPSA-N 363.483 2.797 0 50 FFAA CCCN(CC)C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 253429482 SKBDATOWUSRFER-DLBZAZTESA-N 366.550 2.587 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704338568 VGRUYZGELHMDGI-LJQANCHMSA-N 372.856 2.841 0 50 FFAA CC[C@H]1CCc2nc(O)c(C(=O)NCc3cn4ccccc4n3)cc2C1 929377873 LUPQDFMPMNWEGX-ZDUSSCGKSA-N 350.422 2.880 0 50 FFAA O=C1CC[C@H](N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)C(=O)N1 1875290058 NWSMFIWDTYFPPM-HKUYNNGSSA-N 359.385 2.518 0 50 FFAA CC(=O)N1CC[C@]2(CCCC[C@@H]2NC(=O)c2cncc3c2CCCC3)C1 1875339050 UUSKHUWKZHFBPT-PZJWPPBQSA-N 355.482 2.871 0 50 FFAA Cn1cccc1C(=O)NC[C@H]1CC2(CCC2)CN1c1ncncc1Cl 1875336119 SLYTZUVPFSFSNR-CYBMUJFWSA-N 359.861 2.648 0 50 FFAA NC[C@H](NC(=O)[C@@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875372687 KVJQCGRRZVKCMO-PMACEKPBSA-N 367.449 2.527 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@@H]1CN(c3ncccn3)C[C@H]21 1875330301 WOWVPCIQMJKRHU-DDBAPUKQSA-N 352.413 2.603 0 50 FFAA COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1c(C2CCC2)cnn1C 888100712 KIEFFJTXRUHEOA-HNNXBMFYSA-N 363.845 2.813 0 50 FFAA COCC[C@@H](C)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 2100540593 MGDIWLXCGDZWGY-OAHLLOKOSA-N 368.481 2.949 0 50 FFAA Cc1nc2ncc3c(=O)n(-c4ccc(OC(F)(F)F)cc4)ccc3n2n1 30875055 PAYGMKOVYDTCKJ-UHFFFAOYSA-N 361.283 2.635 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C3(N)CC4(CCOCC4)C3)cc2)c1C 2325795771 XUXFIRWUGDPBBG-UHFFFAOYSA-N 354.454 2.716 0 50 FFAA O=C(Nc1ccccc1N1CCNCC1)c1ccc(-c2cscn2)nc1 2325859362 XCXQYNVUJSBUFW-UHFFFAOYSA-N 365.462 2.867 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@H]1c1ccc(Br)s1 860773528 OAXLLXCSQUSYJC-JTQLQIEISA-N 357.273 2.819 0 50 FFAA CN1CC[C@H](C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)CC1=O 151627473 IONNSTSOOYYBMD-ROUUACIJSA-N 356.466 2.899 0 50 FFAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCc1ccco1 825517 FWWSTDYYXVJMJV-UHFFFAOYSA-N 366.137 2.882 0 50 FFAA CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1324979 ZPQDWNJRIZGGAY-UHFFFAOYSA-N 374.462 2.522 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2nc3ccccn3c2C)C1=O 2356148171 KHPCNTXEXQABJU-HXUWFJFHSA-N 354.454 2.650 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(F)cc(F)c2)C1=O 2356165600 KXBKSAMTPMAENV-QGZVFWFLSA-N 372.437 2.521 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@H](NC(C)=O)C3)ncnc21 2356169071 UHNKAQSGDJJXTM-HNNXBMFYSA-N 358.490 2.540 0 50 FFAA C[C@H](C(=O)NC[C@@H]1C[C@H]2CC[C@H]1O2)n1c(S)nnc1-c1cccs1 225422088 KPGRAKDSJXMSJB-WRWGMCAJSA-N 364.496 2.540 0 50 FFAA COCCn1c(=O)n(Cc2ccc(Cl)s2)c2cc(C(=O)O)ccc21 55089567 LMTFPZFDNYHQRW-UHFFFAOYSA-N 366.826 2.911 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 13815372 KJYIVXDPWBUJBQ-UHHGALCXSA-N 368.470 2.978 0 50 FFAA in-vitro COc1cc(OC)c(NC(=O)NCCNc2ccc(C)nn2)cc1Cl 65362852 MADHQMZRJGWLSA-UHFFFAOYSA-N 365.821 2.689 0 50 FFAA O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 249061876 QPBXCKHVUSMLJE-SWBPCFCJSA-N 365.481 2.950 0 50 FFAA O=C(Nc1n[nH]c(CCC2CCCC2)n1)[C@H]1CCCN(c2ncccn2)C1 170625120 KBTYMSGCWQDVDX-HNNXBMFYSA-N 369.473 2.573 0 50 FFAA Cc1cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc(C(C)C)n1 67771196 UHVGMXMRAUMQAZ-JKSUJKDBSA-N 355.438 2.992 0 50 FFAA CC(C)OCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 72168462 ANCRKFPSVURBDL-GOSISDBHSA-N 364.461 2.836 0 50 FFAA CC(C)c1cc(C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)on1 72421182 IANBYFDZZOVSKU-UHFFFAOYSA-N 369.425 2.774 0 50 FFAA O=C1C[C@H](NC(=O)c2cn(C3CCCCCC3)nn2)c2ccccc2N1 72159022 FRCFVDYEJKHUFC-INIZCTEOSA-N 353.426 2.987 0 50 FFAA CC(C)(C)OC(=O)N1CCOc2c1ccnc2I 38534152 QVZVDFZAPHWSFX-UHFFFAOYSA-N 362.167 2.820 0 50 FFAA in-vitro O=C1CCCc2occ(C(=O)N3CCC4(CC3)c3ccccc3C[C@H]4O)c21 72167289 GUBBEVWPTXGNDP-LJQANCHMSA-N 365.429 2.890 0 50 FFAA Cn1c(O)ncc(C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1=O 331863526 GAFJKPBKXSTCNT-INIZCTEOSA-N 355.438 2.761 0 50 FFAA CC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C[C@@H]2C)c(=O)[nH]c1C 77505370 MUMRIJOUWKBCIN-AWEZNQCLSA-N 367.449 2.545 0 50 FFAA C[C@H](C(=O)NCCc1noc(C2CCCC2)n1)n1cnc2ccccc21 216946005 LBGVZEBJZCVHMW-CYBMUJFWSA-N 353.426 2.997 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 442734316 FMMZQOGSPVUYJX-ARFHVFGLSA-N 362.470 2.621 0 50 FFAA CC(C)(C)ONC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 156022910 CXSNVUGMDVUCLA-MRXNPFEDSA-N 356.422 2.996 0 50 FFAA Cc1cc(N2CCN(C(=O)CCc3cn4ccccc4n3)CC2)cc(C)n1 77425817 PUTOULVKRVASDE-UHFFFAOYSA-N 363.465 2.628 0 50 FFAA Cn1cc(-c2nc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)cs2)cn1 333759325 VISZFEVGTSXPHI-GXTWGEPZSA-N 372.454 2.519 0 50 FFAA CCn1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 334135023 XPZDAWUHFGYBHE-CQSZACIVSA-N 374.407 2.794 0 50 FFAA O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1CCNC1 237894882 JPYRZZMIDUTPNS-CRAIPNDOSA-N 352.413 2.642 0 50 FFAA CCOc1ncccc1C(=O)N1CCO[C@H](Cc2ccc(OC)cc2)C1 71747517 DHOBJUQFXOHTEH-QGZVFWFLSA-N 356.422 2.573 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F 172845656 NIIWGAAWMBSFPS-HOCLYGCPSA-N 354.360 2.965 0 50 FFAA C[C@@H](O)C(=O)OCCCSc1nnc(-c2ccc(OC(F)F)cc2)o1 241644609 PSECRBIPAGTKBR-SECBINFHSA-N 374.365 2.744 0 50 FFAA Cc1cccc(CN2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1 82138739 BSTTUEYSJRNNMM-UHFFFAOYSA-N 354.502 2.758 0 50 FFAA COCc1nc(C)c(CNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1 223713977 QKLWDYPSKAJLBF-CQSZACIVSA-N 363.483 2.719 0 50 FFAA Cc1noc(C(C)(C)NC(=O)Nc2ccc(Br)c(C)n2)n1 284973815 KCBYUISWJNISEA-UHFFFAOYSA-N 354.208 2.901 0 50 FFAA O=C(CCc1cccs1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 222389380 ZTYLBLGBHOZUOS-QZTJIDSGSA-N 361.463 2.526 0 50 FFAA CC(=O)N1CCC(NC(=O)c2cccc(-c3cccc(CO)c3)c2)CC1 426389228 HPSZGOHBWSRXDX-UHFFFAOYSA-N 352.434 2.587 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)N(C)CCN3CCCCCC3)cc2N(C)C1=O 426395907 FIECXAZWHVRURK-OAHLLOKOSA-N 374.485 2.770 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CCn1cncn1)c1ccccc1 82108735 BHAPGJZWBZWNGE-IBGZPJMESA-N 366.469 2.509 0 50 FFAA O=C(CSc1ccncc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223044740 PBACVEXHKPMWQH-MSOLQXFVSA-N 358.463 2.664 0 50 FFAA Cc1cccc([C@@H](NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C(=O)O)c1 426595122 YJLMJEZDCRZCKG-MRXNPFEDSA-N 358.442 2.983 0 50 FFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N(C)Cc3c(C)noc3C)c2n1 426555875 INLZUVIIWVZVBT-UHFFFAOYSA-N 367.331 2.934 0 50 FFAA Cc1ccn(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91713909 XZWJKJZJMJJYOU-FQEVSTJZSA-N 355.438 2.792 0 50 FFAA CCOCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95374002 NAVOQDWSXORHML-DFQSSKMNSA-N 364.436 2.780 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3ccc(Cl)c(F)c3)C2)n1 426387832 SSNRBYWJBOJKQI-LBPRGKRZSA-N 365.792 2.780 0 50 FFAA COc1ccccc1-c1noc(CCc2nc(-c3ccc(C)nn3)no2)n1 95512639 VYWCBYBTBXKSEE-UHFFFAOYSA-N 364.365 2.679 0 50 FFAA C[C@H](N)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 237482639 GTMCHRDQGSWUQC-DZGCQCFKSA-N 350.894 2.537 0 50 FFAA COCCc1nc(-c2cn3cc(Cl)ccc3n2)n(C2CCN(C)CC2)n1 95357667 KPJYFYKRGAIOOI-UHFFFAOYSA-N 374.876 2.702 0 50 FFAA CCN1CCN(C[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 95369820 JXOZRCSDYRFZIK-NHCUHLMSSA-N 373.585 2.662 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239235511 WCCWKHLFPRICJB-GLOHGQAKSA-N 364.445 2.684 0 50 FFAA O=C(c1ccnc(N2CCN(c3ccc(Cl)cn3)CC2)c1)N1CCCC1 95502699 OKNLWDZMJQKBRJ-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 91441599 GFHPAGQLFLGSAC-QGZVFWFLSA-N 366.465 2.622 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91476496 HHBNSYBOJJAECY-FQEVSTJZSA-N 356.470 2.542 0 50 FFAA CN(C)c1ccc(CN2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)cn1 91617045 UTAZCDCPPYQOFX-OAQYLSRUSA-N 356.514 2.905 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCSC3CCCCC3)nn2)CC1 244741914 NYZPCJIQBOLHKF-OKILXGFUSA-N 351.520 2.516 0 50 FFAA CCc1nccn1CC(=O)NCc1cnc(-c2cccc(OC)c2)s1 244734425 NFFBHYBJXSJKOI-UHFFFAOYSA-N 356.451 2.894 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244748661 OLYSJOWRYGFPGQ-UVFQYZLESA-N 356.397 2.812 0 50 FFAA COc1ccc(-c2noc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)n2)cc1 294297819 WBMRMVTXYPCSOD-BMFZPTHFSA-N 357.410 2.963 0 50 FFAA Cc1n[nH]cc1CNC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 297247553 ZXKUNIDVKXYVSE-UHFFFAOYSA-N 367.497 2.916 0 50 FFAA Cn1nc(-c2cccnc2)cc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 299796687 NYNPGERGJKZYBZ-MRXNPFEDSA-N 367.457 2.915 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)o1 299789184 SSIOZNUANAKXGA-ZDUSSCGKSA-N 361.402 2.849 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cn(C)c4ccccc34)cc2C1 299791821 DIFNCPCSEUOMCZ-UHFFFAOYSA-N 365.481 2.921 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC[C@H](OCc4ccccn4)C3)cnc12 952986606 FFSZCSQSWXPUOF-IBGZPJMESA-N 364.449 2.788 0 50 FFAA OCc1ccc(O[C@H]2CCOC[C@@H]2N=c2cc[nH]c3ccccc23)cc1 1565527957 XYTYLPRPDDIIIR-SFTDATJTSA-N 350.418 2.797 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2cc(C)nc3cc(Cl)ccc23)[C@H]2CCO[C@H]21 1565526649 RVXNKCNGLLJOAJ-HUHSQHJXSA-N 360.841 2.976 0 50 FFAA Cc1nscc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275646428 NZZPIQRLSONCLY-CQSZACIVSA-N 358.467 2.740 0 50 FFAA CC(C)c1noc(CN2C[C@H](C)N(Cc3nc(C(C)C)no3)[C@H](C)C2)n1 170618467 YTOLRKFLGXRQDL-OKILXGFUSA-N 362.478 2.794 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@H](CCSc2nc(N)cc(N)n2)C1 170601451 SMRLASXMZZEPPO-LLVKDONJSA-N 353.492 2.770 0 50 FFAA O=C(Cc1cccnc1)NC[C@H]1CCCN(c2ncc(Cl)cc2F)C1 1506412401 DCYVMBLZYSNGLV-CQSZACIVSA-N 362.836 2.844 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cccc(C(=O)O)c3)C1)CC2 1704305693 QRSFKMGJMOAEHM-NRFANRHFSA-N 366.465 2.721 0 50 FFAA NC(=O)c1ccc(OCCCN2CCC(Cc3ccc(O)nc3)CC2)cc1 1772810757 KYTKZQMGXJXASP-UHFFFAOYSA-N 369.465 2.610 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c(C)c1 12003727 PCESUPXFJIYZRZ-AWEZNQCLSA-N 372.446 2.868 0 50 FFAA Cc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)[C@H]3CCOC3)O2)CC1 12149001 ILEFZXXTNNKXEL-PMACEKPBSA-N 372.509 2.661 0 50 FFAA Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)n[nH]1 12316390 KMMAZGWSWMVUCM-UHFFFAOYSA-N 358.461 2.884 0 50 FFAA O=C1CCN(C(=O)c2cccc(-n3cccn3)c2)CCN1Cc1ccccc1 14984368 QZHOTEYKLSSXOI-UHFFFAOYSA-N 374.444 2.747 0 50 FFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC(F)(F)F)C2 19145819 COEUTNXTJCHTJG-ZDUSSCGKSA-N 372.435 2.784 0 50 FFAA COc1ccccc1CN1CCN(C(=O)c2c(OC)cccc2OC)CC1 19570435 LABNPNFWWVMNMK-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccsc2)cc1S(C)(=O)=O 1857530235 AOHIFKJEUKOXJQ-OLZOCXBDSA-N 351.449 2.902 0 50 FFAA NCCCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857690825 NIDYAQABKAXNIS-HXUWFJFHSA-N 373.541 2.824 0 50 FFAA CN(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3ccc(Cl)cn3)C1)CC2 1857692888 YSRCCPMJSNPLTI-SFHVURJKSA-N 359.861 2.781 0 50 FFAA Cc1c(CN2CCC3(CC2)OCCc2cc(C(=O)O)sc23)cnn1C 1857698952 BPJYZURZAADSTI-UHFFFAOYSA-N 361.467 2.552 0 50 FFAA Cn1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c2ccccc21 213208491 PNZGNBNZOGYVRR-AEFFLSMTSA-N 365.477 2.580 0 50 FFAA Nc1ncc(Br)cc1CNC(=O)C(F)(F)c1ccccc1F 225837721 HEGLVKWAMWOPRT-UHFFFAOYSA-N 374.160 2.974 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](C(=O)O)C1 237637008 BHYUUTHVFAXUDA-VHSXEESVSA-N 374.206 2.679 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1c(C)[nH]c2ccc(F)cc12 247958474 UILDLZWVLIIOOD-ZBFHGGJFSA-N 357.429 2.627 0 50 FFAA COc1cccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1OC 134770602 ZTVLQZHIPHMGOD-LBPRGKRZSA-N 361.829 2.761 0 50 FFAA COC1(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)CCOCC1 370276951 QBCJEZSMHLATQJ-CQSZACIVSA-N 353.846 2.905 0 50 FFAA COC1(C(=O)N2CC[C@@H](c3ncc(C(=O)O)s3)C2)CCCCCC1 907785568 HPOSKEGHMVIYPE-GFCCVEGCSA-N 352.456 2.897 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)[C@@]1(C2CC2)CCCO1 1875330688 YATPVXRRRCHKHH-SBHAEUEKSA-N 357.450 2.869 0 50 FFAA CN(Cc1cccc(OCC(=O)O)c1)C(=O)[C@H]1CCc2ccccc2N1 1875304404 JMERMWVIRBOZGS-GOSISDBHSA-N 354.406 2.535 0 50 FFAA O=C(O)c1coc2c1CN(C(=O)[C@]13CC[C@H]1CN(Cc1ccccc1)C3)C2 1875394207 YRPIXGKVYHLQAM-BTYIYWSLSA-N 366.417 2.732 0 50 FFAA Cc1nc2c(NC[C@@H]3CCN(C(=O)C4C[C@@H]5C[C@H]5C4)C3)ncnc2s1 1875331782 CLLDSKJXEXEAEC-AVGNSLFASA-N 357.483 2.701 0 50 FFAA COC(=O)c1nccc(N2CCC[C@H]([C@@H](C)NC(=O)CC3CCCC3)C2)n1 1875303393 SMBMKQUFBFVAKQ-ZBFHGGJFSA-N 374.485 2.565 0 50 FFAA Cc1ccnc(-c2noc(CC3CCN(Cc4cc(C)nn4C)CC3)n2)c1 880283387 XAIOMEKHMLDFIJ-UHFFFAOYSA-N 366.469 2.937 0 50 FFAA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(N)=O)C1 4894622 IFFHCVHIGTVBEE-XCODYQFDSA-N 350.440 2.577 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCN[C@@H](c4ccccc4C)C3)cc2)n[nH]1 2325760703 ZBCSRSFXRPZHJF-LJQANCHMSA-N 361.449 2.875 0 50 FFAA CCCN(CCNC(=O)CC(C)(C)C)C(=O)[C@@H]1CC[C@H]2CCCCN12 2325793664 CBVRJUKTWSQHHD-SJORKVTESA-N 351.535 2.794 0 50 FFAA O=C(NCc1nc(-c2cccnc2)cs1)[C@@H]1CNCc2ccccc21 2325858384 LDVVDPJVMRKPFA-MRXNPFEDSA-N 350.447 2.708 0 50 FFAA CC(=O)N1CCC[C@H](CCNC(=O)Cc2ccc3cnccc3c2)CC1 2325866930 FGOOBQLRGDJEQB-QGZVFWFLSA-N 353.466 2.932 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1CC[C@@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325867758 FMAQYZJCOLFKTF-RRCSTGOVSA-N 359.470 2.542 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)NCC(=O)N(CC)Cc2ccccc2)cc1 920015517 DHFDUDIORNADQN-UHFFFAOYSA-N 365.433 2.590 0 50 FFAA Cc1ccccc1OCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 1140629 TWTMDBVQZFABRG-SFHVURJKSA-N 368.433 2.921 0 50 FFAA COc1ccccc1N1CCN(C2CCN(Cc3cccnc3)CC2)CC1 1166424 KQXCMHLGUGQIIO-UHFFFAOYSA-N 366.509 2.877 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccc4ccccn34)C1)CC2 2356154625 CLPFSCXDSAHQFX-NRFANRHFSA-N 362.433 2.864 0 50 FFAA COC(=O)[C@H]1CC12CCN(C(=O)c1cnc(C)nc1-c1ccccc1)CC2 2356169317 YWXDZAGRLWCKKZ-QGZVFWFLSA-N 365.433 2.867 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc4ccccn34)[C@H](C)C2=O)c1 2356169816 HTHXDPGYOAZTRT-OAHLLOKOSA-N 363.417 2.825 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)cccc2c1 132674531 LKQIPGSRBTZYAW-QGZVFWFLSA-N 369.446 2.780 0 50 FFAA CCc1c(C)sc(NC(=O)CSc2ncccn2)c1C(=O)OC 6725322 POUQEGIRZUKLBY-UHFFFAOYSA-N 351.453 2.926 0 50 FFAA COc1ccccc1-c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)nn1 102745011 XAFBTDMNJGYJQD-HOTGVXAUSA-N 374.444 2.938 0 50 FFAA Cc1n[nH]c(SCC(=O)N(CCc2ccccc2)Cc2ccccn2)n1 55357734 AYOZBVSYRLWIRM-UHFFFAOYSA-N 367.478 2.872 0 50 FFAA Cc1nccnc1-c1cccc(-c2ccn(CC(=O)Nc3cnccn3)n2)c1 23145853 OQHBTXHLPQNHNE-UHFFFAOYSA-N 371.404 2.744 0 50 FFAA CSc1nnc(CC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n1C 55340854 JVPFRIXYPTVJTO-UHFFFAOYSA-N 373.526 2.950 0 50 FFAA COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c(OC)c1 10314747 HAHAONAZQMFMLH-UHFFFAOYSA-N 364.423 2.636 0 50 FFAA CC[C@@H](C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1)n1cccn1 67947315 MNGCCVBQGLJGNJ-KRWDZBQOSA-N 353.401 2.948 0 50 FFAA Cc1cc(C)nc(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1 65406418 GTXCIAHOFWWYNZ-SFHVURJKSA-N 366.465 2.648 0 50 FFAA CCCc1cc(NC[C@H](c2cccnc2)N2CCOCC2)n2nccc2n1 72408254 YIHZTGSLDMHRBC-GOSISDBHSA-N 366.469 2.562 0 50 FFAA CCc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cccc(OC)c2)c(=O)[nH]1 77407283 MMNCMTPKUKJMGP-SFHVURJKSA-N 369.465 2.946 0 50 FFAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 170810695 QCUYMWSSCYQKMY-GOSISDBHSA-N 368.433 2.609 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c1C 38149269 DIANEZAUVJHURZ-LJQANCHMSA-N 362.543 2.732 0 50 FFAA COc1ccc(CCN(C(=O)c2cn[nH]n2)C2CCCCC2)cc1OC 72147424 LYPVQZTZWSTYQJ-UHFFFAOYSA-N 358.442 2.840 0 50 FFAA Cc1cccc2c(CCC(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)c[nH]c12 155496472 XWAVYBRDCCYRAG-CQSZACIVSA-N 367.371 2.688 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)C3C(C)(C)C3(C)C)CC2=O)cc1 72126393 HPHORJDLNABXBO-OAHLLOKOSA-N 358.482 2.637 0 50 FFAA CCc1cc(N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)n2nc(C)c(C)c2n1 72439594 WSRDFWJHIDTHCZ-OAHLLOKOSA-N 366.469 2.684 0 50 FFAA O=S(=O)(c1ccnc(N2CCCc3ccccc3CC2)c1)N1CCCC1 333680777 LEZRMJDISSXNSF-UHFFFAOYSA-N 371.506 2.861 0 50 FFAA Cc1ccc(C(=O)O)cc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 262192125 UPOBOGSRAPUBBN-UHFFFAOYSA-N 359.426 2.560 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCC[C@@H](c2nnc3ccccn23)C1 334062455 ZLYMZFLSSDPLDC-AEFFLSMTSA-N 362.433 2.829 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3nc(C)c[nH]3)n2)cc1C(=O)O 77516972 PXWIRXPNQLGSJV-UHFFFAOYSA-N 367.409 2.908 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 159350222 OGVLXNKXDPAALA-YWZLYKJASA-N 370.522 2.930 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccncc2)C1 72475695 FNRIMCIJGYIJQR-SFHVURJKSA-N 354.502 2.576 0 50 FFAA CCCn1ncc(C(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1C 77387099 DTAUJLJPVTZQLO-UHFFFAOYSA-N 354.454 2.707 0 50 FFAA COc1ccc([C@@H]2CN(Cc3[nH]cnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72149569 VKFLFHJSMLSBTH-CEWLAPEOSA-N 352.482 2.789 0 50 FFAA CN1CC(=O)N(Cc2nc(C3(c4ccc(F)cc4)CCCCC3)no2)C1=O 284139071 YJYLFQSEZBGQNC-UHFFFAOYSA-N 372.400 2.853 0 50 FFAA COc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1OC 263680042 GZJOMPUUNLBZPA-XHSDSOJGSA-N 361.438 2.881 0 50 FFAA Cc1cccc(N2C[C@H](C)N(C(=O)c3cccc4nccnc34)CC2=O)c1 82115126 MPVLRXNAMHTBSA-HNNXBMFYSA-N 360.417 2.816 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)NCc1ccc(-n2ccnc2C)cc1 222907292 XGWRKEOLRFYWGR-UHFFFAOYSA-N 365.437 2.542 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)CCc1nc2ccccc2[nH]1 82121298 CTWZXNVJEBCKAC-UHFFFAOYSA-N 362.393 2.599 0 50 FFAA CC(=O)c1cc(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)[nH]n1 91594592 KOUDVLUYRVDYAI-INIZCTEOSA-N 361.405 2.877 0 50 FFAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c(F)c1 92028523 KDHMNNHNYYUYCA-CQSZACIVSA-N 368.424 2.690 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2c(C)c(-c3ccccc3)nn2C)n1 96161345 JJLILIJSNGKOFS-UHFFFAOYSA-N 367.457 2.816 0 50 FFAA CC(C)Cc1cc(C(=O)NC2CCN(c3ccc(Cl)nn3)CC2)on1 92046891 QDRVDMFJNAZHTQ-UHFFFAOYSA-N 363.849 2.715 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NCCc3cccnc3)CC2=O)cc1 91915391 LRENBLLPSOQZEC-GOSISDBHSA-N 351.450 2.917 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1F)CC2 91665620 WYHCECQYIYIVCE-UHFFFAOYSA-N 365.468 2.731 0 50 FFAA Cc1nc(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nc2c1CCCC2 426490392 CPOSBEAVDPJDIL-KKSFZXQISA-N 372.513 2.543 0 50 FFAA CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 95521329 BYXMUHXNQSGUIM-MRXNPFEDSA-N 354.491 2.504 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cccc(-n2cnnc2)c1 91635955 MLTZOKGNHPLBHL-UHFFFAOYSA-N 350.407 2.544 0 50 FFAA Cc1ccc(CSc2nc(N)cc(NCC3(CO)CCOCC3)n2)cc1 95352176 RLHAWZASYCEQCT-UHFFFAOYSA-N 374.510 2.861 0 50 FFAA O=C(CC1CCCC1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91254419 IEDOZTNGAFGZBO-UHFFFAOYSA-N 372.513 2.764 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(Cc2cccs2)CC1 97323934 FSOPISBXSCQCJR-HXUWFJFHSA-N 369.534 2.885 0 50 FFAA Cn1nc(C(=O)NCCCN2CCCc3ccccc32)c2c1CCCC2 97479987 JOVNPTUZGUCDCP-UHFFFAOYSA-N 352.482 2.872 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 250810510 DFZZQOHHWGVUOO-DUBDDPSESA-N 374.462 2.577 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)c2nn(C)cc2Br)cs1 294724779 XELBQXJBXYPYDA-LLVKDONJSA-N 355.261 2.925 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 299327658 BNIDNLXXOAFNAI-SZMVWBNQSA-N 353.422 2.789 0 50 FFAA COc1ccc([C@@H](NC(=O)CCc2ccc(C)cc2)[C@H]2C[C@@H](O)C2)cn1 252571536 YCRWRGNPGPDQHL-LVCYWYKZSA-N 354.450 2.960 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)N3CC(N4CCCC[C@H]4C)C3)CC2)n1 534631123 AKBCAAGDYZYSLX-MRXNPFEDSA-N 359.518 2.548 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCCCCC4)c3CO2)cc1 263615756 FBJPZFXXYRQYQI-KRWDZBQOSA-N 356.426 2.574 0 50 FFAA CC[C@@H](CNC(=O)N1CCc2[nH]c3c(C)cccc3c2C1)N1CCOCC1 534575296 QIDCKRMQHAJGOA-INIZCTEOSA-N 370.497 2.655 0 50 FFAA CC(=O)N1CCCN(C(=O)c2ccc(-c3cc(C)c(C)nc3O)cc2)CC1 584897235 OQZJPSWBHBHLGM-UHFFFAOYSA-N 367.449 2.765 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc2ccccc2[nH]1 1565531107 IMABNPYNPOVRJB-QAPCUYQASA-N 374.444 2.940 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1csc2c1CCCC2 1565513434 OYJTWJLMBPDUOV-HOTGVXAUSA-N 358.463 2.988 0 50 FFAA C/C(=C\C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 269048518 UNIBESDVWNKIGB-DPQIITEBSA-N 357.328 2.811 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 272363918 SPOFVLLWPGWRKZ-XYJFISCASA-N 359.514 2.564 0 50 FFAA COc1ccc(C)cc1-n1ccc(C(=O)N(C[C@H]2CCCN2)C2CC2)n1 186502154 LIDNSVZXVMXZFU-OAHLLOKOSA-N 354.454 2.546 0 50 FFAA C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCS(=O)(=O)CC1 187092858 HPLYCQGDPKDLBE-BFUOFWGJSA-N 365.495 2.712 0 50 FFAA Cc1noc(C)c1CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl 170593710 IZRPOYHSQOBVIA-UHFFFAOYSA-N 361.826 2.550 0 50 FFAA C[C@@]1(O)CCCN(C(=O)NC2CCC(Oc3ncccc3Cl)CC2)C1 187498421 JQLTWEBZBOPVJW-WTNGLUPJSA-N 367.877 2.981 0 50 FFAA Cc1noc2ncnc(NC[C@H](C)N3CCN(c4ccccc4)CC3)c12 195508771 DNLMGVFTVQHCDZ-AWEZNQCLSA-N 352.442 2.549 0 50 FFAA O=C(c1cccnc1)N1CCC(NCc2csc(N3CCCC3)n2)CC1 1506418474 IEPGRVYUYRHOSL-UHFFFAOYSA-N 371.510 2.533 0 50 FFAA O=C(COc1cccc(Cl)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 222007902 HUGCPGPWYWRTBZ-ZBFHGGJFSA-N 362.857 2.578 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cnc(C2CC2)nc1 1529162260 YJNJCRMBORIYQA-OXQOHEQNSA-N 374.444 2.890 0 50 FFAA COCCSc1nnc(NC(=O)[C@@H]2CCCN(C3CCCC3)C2)s1 1529109942 HFSOHOFHBYLUGF-GFCCVEGCSA-N 370.544 2.870 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3F)C[C@H]2O)n[nH]1 1704298258 IRGFMIBOZUKJGI-MLGOLLRUSA-N 357.351 2.911 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3c(F)ccc(C)c3Cl)C[C@@H]2O)on1 1704280447 MDYYXASQJCXSJM-RISCZKNCSA-N 352.793 2.760 0 50 FFAA CCCc1nc(N2CCCN(C(=O)c3cccc4cc[nH]c34)CC2)no1 1775980554 ZOZRXTPGKPDSRZ-UHFFFAOYSA-N 353.426 2.856 0 50 FFAA O=c1c2ccccc2cnn1Cc1nnc(S)n1-c1ccccc1Cl 5804704 XHBITWULKPSTLW-UHFFFAOYSA-N 369.837 2.968 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2CC(Cc3ccc(F)cc3)=NO2)cc1 11963090 GIFBEALGZAAICE-IBGZPJMESA-N 356.397 2.881 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)NCc2ccncc2)no1 12299271 MMWYXAIMAADPDH-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA COc1cc(-c2n[nH]cc2CN(C)Cc2ccon2)cc(OC)c1OC 12300748 FNNVNZUFEHOENV-UHFFFAOYSA-N 358.398 2.723 0 50 FFAA CCCO[C@H]1CCCN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 13594713 YYXULWQRXANGTM-INIZCTEOSA-N 359.426 2.914 0 50 FFAA CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCC1)C2 14997166 WVZQHXMTUISHHL-RYUDHWBXSA-N 363.483 2.885 0 50 FFAA O=C(c1cccs1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 15069003 CWVJRCBOQQAEBR-IBGZPJMESA-N 355.463 2.798 0 50 FFAA C[C@@H]1C[C@H](OC[C@@H](O)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 15724415 YVZCQTKERJQJPX-QYZOEREBSA-N 361.530 2.796 0 50 FFAA CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)n[nH]1 19791261 PNWMTESOGKDSLL-FQEVSTJZSA-N 356.514 2.644 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169364095 PDQQQTPWRPKBAS-NDBYEHHHSA-N 354.200 2.574 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)COCc3ccccc3)C[C@H]12 1857700135 OQIMWOJDZQJEOZ-CAIZAGQASA-N 357.450 2.663 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)cc2s1 1857705793 WCNYCKJGVPAVNF-HLLBOEOZSA-N 357.479 2.586 0 50 FFAA Cc1cccn2c(CC(=O)N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)cnc12 1857714608 YOSFMHQURCQCIG-LMMKCTJWSA-N 352.482 2.518 0 50 FFAA O=C1CCOC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1 1857728836 OCJYZEJYCMRZGO-UHFFFAOYSA-N 363.767 2.629 0 50 FFAA CCOc1ccccc1NC(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857732379 NYSZHHMQGQFUIP-DKYLXPRQSA-N 359.470 2.658 0 50 FFAA O=C(Cc1ccccc1)NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3 1857737177 ZZZMDCBANBWYNT-GPQLQYNLSA-N 366.461 2.618 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NC[C@H](C)Oc1cccnc1 1875246030 XQZUPWBEEFUNPD-LBPRGKRZSA-N 369.450 2.755 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N2CCOc3ccc(Cl)cc3C2)CC[C@H]1N 1875250573 NHHWYNUOFYMZMU-FDQGKXFDSA-N 366.889 2.984 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 109621843 OPQICHDTIGXYKW-ZDUSSCGKSA-N 351.830 2.711 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 237641401 FIOWMNUUPCXHRF-KRWDZBQOSA-N 363.801 2.646 0 50 FFAA O=C(O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 238029332 UZDHDNHZFSSDIO-KGLIPLIRSA-N 352.228 2.876 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(Cl)ccc3F)C1)CC2 1704300701 USHWWURMUQWNNS-GOSISDBHSA-N 360.820 2.972 0 50 FFAA Cn1cnnc1C[C@@]1(O)CCCN(c2ccnc3cc(Cl)ccc23)C1 952886947 FEGKETBHMISWSZ-SFHVURJKSA-N 357.845 2.591 0 50 FFAA C[C@H](NC(=O)NCc1ccc(-c2cc[nH]n2)cc1)[C@@H](O)Cc1ccccc1 1875264519 IIJHFCLHQHMTNE-YWZLYKJASA-N 364.449 2.868 0 50 FFAA O=C(c1ccco1)N1CCC[C@@H]2CN(c3ccc4nccnc4n3)CC[C@@H]21 1875280518 QVVZMUTYBNULHI-ZBFHGGJFSA-N 363.421 2.749 0 50 FFAA C[C@@H]1C[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)CCN1C(=O)c1ccncc1F 1875406634 ITLKJTBTADPMHU-RTEYEHBSSA-N 359.445 2.910 0 50 FFAA C[C@@H](c1ccccc1Br)n1cc(CO[C@H]2CCCNC2)nn1 2325772695 RVHVJJBAIGCNAQ-JSGCOSHPSA-N 365.275 2.919 0 50 FFAA O=C1CC[C@H](CN2CCc3ccc(Br)cc3CC2)CCN1 2325779228 PYAJDRQMEAUJFC-ZDUSSCGKSA-N 351.288 2.766 0 50 FFAA Cc1cccc(C[C@H]2NC(=O)[C@H](Cc3ccc(C(F)F)cc3)NC2=O)c1 2325792355 WOSCPNBRQIAULO-DLBZAZTESA-N 358.388 2.701 0 50 FFAA Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H]1CC12CCC2 2325822689 JCKUFASJEIRTOT-CYBMUJFWSA-N 365.389 2.665 0 50 FFAA CC[C@@H](C)C(=O)N(C)[C@H](C)CCNC(=O)c1ccc2c(c1)NC(=O)CC2 2325868950 REQQACLJACPRFA-ZIAGYGMSSA-N 359.470 2.584 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1 917296 QUQBPXUDNLUFHV-UHFFFAOYSA-N 354.457 2.595 0 50 FFAA CCc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1 1147307 LKCGSAMGHNPIDN-UHFFFAOYSA-N 352.500 2.854 0 50 FFAA O=C(O)c1ccc(Cl)c(Nc2ncc(F)c(N3CCOCC3)n2)c1 2356136084 GDMIJPUOJRUTIY-UHFFFAOYSA-N 352.753 2.548 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)[C@@H](C(=O)O)C1 2821382 ZSIOQPWHGGVIDW-NEPJUHHUSA-N 362.451 2.721 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C 4810781 MRIRZWOTQUZGRL-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1CC 6729664 RUDITQYZEKFMJD-UHFFFAOYSA-N 366.483 2.993 0 50 FFAA CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 6742829 HSGDLYALNZIXEV-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA CC1=C[C@@H](c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 100817276 YSDOEPZSVXKKRS-INIZCTEOSA-N 357.373 2.997 0 50 FFAA CC1(C)C[C@@H](C(=O)N(CCCn2ccnc2)Cc2cccnc2)CCO1 102544398 DLUJKFPZTYDXER-SFHVURJKSA-N 356.470 2.902 0 50 FFAA C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 20726855 NNOGGHIZSYFXBN-AWEZNQCLSA-N 355.935 2.574 0 50 FFAA CN(Cc1cccnc1Cl)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23311429 FEQALSIYDCZBSF-MSOLQXFVSA-N 357.885 2.904 0 50 FFAA O=C(c1ccc(NCc2ccncc2)cc1)N1CCC[C@@]2(CCNC2)C1 67675448 QXIBDPBWXQTDCK-NRFANRHFSA-N 350.466 2.909 0 50 FFAA C[C@H](Sc1n[nH]c(-c2ccccn2)n1)c1nc2ccccc2c(=O)[nH]1 117114220 PISPKNZUGSNSCW-JTQLQIEISA-N 350.407 2.957 0 50 FFAA Cc1cnccc1-n1nc(C2CC2)nc1-c1ccc2c(=O)n(C)cnc2c1 65372758 GKUIVQFPCBIKMG-UHFFFAOYSA-N 358.405 2.762 0 50 FFAA C=Cc1cccc(CN2CCN(c3cc(C(=O)NC4CC4)ccn3)CC2)c1 65405573 QOKNWZMBKVKGTE-UHFFFAOYSA-N 362.477 2.939 0 50 FFAA COc1c(F)ccc(C(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)c1F 67726702 JVOYYBRJPJJCFZ-UHFFFAOYSA-N 366.408 2.838 0 50 FFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1ccccc1NCC(=O)O 65403662 BSAYAOHMUCROKO-AWEZNQCLSA-N 356.422 2.895 0 50 FFAA CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 252494461 NWLIWFADOARHTM-UHFFFAOYSA-N 354.472 2.519 0 50 FFAA CN(Cc1cnc2cnccn12)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328655407 YIYOUPBLJRATAM-GFCCVEGCSA-N 364.375 2.639 0 50 FFAA Cc1nc(=O)c2c([nH]1)CCN(Cc1ccc3cccc(Cl)c3n1)CC2 216500447 XSPITAFUBWWCIG-UHFFFAOYSA-N 354.841 2.881 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@H](c2ccccc2Cl)C1 72418768 AYQIGNDSHNBWBB-HNNXBMFYSA-N 372.900 2.979 0 50 FFAA CCc1n[nH]c(C(=O)N2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)c1C 71746247 HXBZJLJLATVGMU-KRWDZBQOSA-N 368.481 2.934 0 50 FFAA Cc1nonc1OCCNc1nncc(-c2cccc(C(F)(F)F)c2)n1 12588473 KZSWZCPCNFKNNI-UHFFFAOYSA-N 366.303 2.740 0 50 FFAA CC(C)(CO)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 152664750 ANWIZKJPLMPXID-MRXNPFEDSA-N 368.433 2.550 0 50 FFAA Cn1c2ccccc2c2cc(CC(=O)N3CCOC[C@H]3CC(=O)O)ccc21 72426311 UWUFSMTXGNCGJA-OAHLLOKOSA-N 366.417 2.576 0 50 FFAA O=C(C1CCCC1)N1CCC(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1 77424300 IHCDFKYOLSXSFL-KRWDZBQOSA-N 358.486 2.545 0 50 FFAA O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)[C@H]1C[C@@H](O)CN1 238008016 VGSGLPDTZVNQPO-CXAGYDPISA-N 365.260 2.999 0 50 FFAA Cc1ncsc1CCN(C)C(=O)CCc1nc(-c2cccnc2)no1 72435652 JMGPOKAONCVTDN-UHFFFAOYSA-N 357.439 2.530 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)CCCOCc1ccccc1)CC2 219712334 OTFLCDICJSAVPI-UHFFFAOYSA-N 358.482 2.892 0 50 FFAA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 367367076 GVKBOABDKXWACE-QFBILLFUSA-N 362.429 2.841 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1 72153892 ULXSQRSPOLBUTI-FQEVSTJZSA-N 362.473 2.730 0 50 FFAA Cc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1 218931518 QHEIYZJCWFALLF-HNNXBMFYSA-N 368.408 2.777 0 50 FFAA C[C@@]12CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@@H]1C2(F)F 333398929 YKXQYNHZSHBETI-CMPLNLGQSA-N 367.320 2.674 0 50 FFAA Cc1cc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)nn1C(C)C 333591769 VEWHUGZYPUCZJJ-QGZVFWFLSA-N 353.470 3.441 0 50 FFAA C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCCc2ccccc2CC1 333659363 GQBAZDCZRFTGFS-MRXNPFEDSA-N 363.461 2.851 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 333803153 DTJXPEZXBYWGMJ-RKTXRCNFSA-N 373.501 2.980 0 50 FFAA c1cncc(-c2nc3c(c(NCCc4cccs4)n2)CCNCC3)c1 72481389 JMXYYFXKQGETPA-UHFFFAOYSA-N 351.479 2.943 0 50 FFAA O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@H]1CCc2[nH]ncc2C1 172216562 JOFZQYLZGBKUNX-AWEZNQCLSA-N 356.813 2.934 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CC[C@H](CO)C1 172446081 KQLNLSIPPPAWGG-VIFPVBQESA-N 356.304 2.602 0 50 FFAA Cn1ccc2ccc(CN3CCC[C@]4(CCC(=O)N(CCCO)C4)C3)cc21 82135177 RFDSLEQYDOYPBU-QFIPXVFZSA-N 369.509 2.765 0 50 FFAA CC1(CC[C@]2(S(=O)(=O)c3ccccc3)C=CC(=O)CC2)OCCO1 45071621 KHOYMUHFOKCVPB-SFHVURJKSA-N 350.436 2.661 0 50 FFAA CC(C)Oc1ccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1 284618911 SINCWWTXNNIOIK-YLJYHZDGSA-N 356.470 2.659 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCN(c2ccccc2Cl)C(=O)C1 82096923 BVEBBZLJEGVNED-UHFFFAOYSA-N 368.220 2.789 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC(c2nnc3ccccn23)CC1 223346602 QVJWZMLMMTUALX-UHFFFAOYSA-N 370.434 2.582 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)CO2 287700015 DHLMATRLBUJQJZ-GUYCJALGSA-N 373.371 2.552 0 50 FFAA C[C@H](C(=O)NCc1ccc(Cn2cccn2)cc1)N1CCc2ccccc21 195032243 BFJVQFBYWHYMCT-QGZVFWFLSA-N 360.461 2.999 0 50 FFAA CCc1noc(C)c1-c1nc(-c2c(C)ncc3c2CCN(C(C)=O)C3)no1 20235691 OPDXAOXTQPIJLO-UHFFFAOYSA-N 367.409 2.870 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 177091330 OFGUYNBZLBPJII-WDSOQIARSA-N 369.509 2.589 0 50 FFAA O=C1COc2cc(C(=O)N3CCC[C@@H](OCc4ccccc4)C3)ccc2N1 97819517 OIGKCWKMCIXPOJ-QGZVFWFLSA-N 366.417 2.839 0 50 FFAA CNc1ccnc(N2CC[C@@]3(CCCN(Cc4cccc(F)c4F)C3)C2)n1 426432097 WVMXEGDYYRLWPK-HXUWFJFHSA-N 373.451 3.289 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 95526693 BDNWCVZDYVPJBL-MRXNPFEDSA-N 360.458 2.746 0 50 FFAA CC[C@@H]1C(=O)N(C)CCN1Cc1ccc(OCc2ccc(C(=O)O)o2)cc1 97745120 QEJRHDUPHCQILK-QGZVFWFLSA-N 372.421 2.609 0 50 FFAA Cc1nccn1CCCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91562687 TTXJJWFGXQBJSM-UHFFFAOYSA-N 372.513 2.613 0 50 FFAA CN1CCC(n2nc(COc3ccccc3)nc2[C@@H]2CCN(C)C2)CC1 95531683 MFWFFWFQTBGXTQ-MRXNPFEDSA-N 355.486 2.543 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1F 91746429 MWAFGIIGLMXQLN-GOSISDBHSA-N 358.392 2.803 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)[nH]c2C)CC1 97492393 PYZRDOPYSPNALU-UHFFFAOYSA-N 356.426 2.736 0 50 FFAA O=C(O)c1oc(CO[C@H]2CCCCO2)cc(=O)c1OCc1ccccc1 145622537 ZVTSAPDSOIRIJF-INIZCTEOSA-N 360.362 2.960 0 50 FFAA COc1cccc(OCC(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1 91650990 RPPCQLCMUMNLKQ-LJQANCHMSA-N 356.422 2.677 0 50 FFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 239125168 KAOLESZIOVMZBK-GWFJUFKTSA-N 357.406 2.636 0 50 FFAA CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cn1 91536989 IDSIZGFBGVGCIK-QFBILLFUSA-N 368.456 2.915 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)Nc2ccc(-c3nncn3C)cc2)n1 96153031 HTKXYELUFPXHBS-CQSZACIVSA-N 353.430 2.678 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)NCCN3CCCC[C@@H]3CO)oc12 97527977 UUYMIKMNIKXPRC-CQSZACIVSA-N 366.845 2.671 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NCCc3ccncc3)CC2=O)cc1 91326614 UYKFZUCAPJODFO-GOSISDBHSA-N 351.450 2.917 0 50 FFAA CCCCc1nc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c[nH]1 22851557 ZGRUDWLMTOMWQT-GOSISDBHSA-N 360.502 2.723 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@H]1c1ncc[nH]1 95521578 HUYGCLASCPVALY-GSTHLXFWSA-N 357.454 2.643 0 50 FFAA Cc1cc(CN2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)ccc1F 91616729 UWHMBUKAJRPQAG-QGZVFWFLSA-N 368.460 2.887 0 50 FFAA CCCOc1cccc(CCNC(=O)c2cnc3cccc(C)n3c2=O)c1 97463503 UGQASTQYONMJPU-UHFFFAOYSA-N 365.433 2.764 0 50 FFAA CCN(CCS(=O)(=O)c1ccc(C)cc1)Cc1cccc(C(=O)O)c1 244724043 MMLFINMFOZUHGU-UHFFFAOYSA-N 361.463 2.989 0 50 FFAA COc1ccc(CN(C)[C@@H](C)C(=O)Nc2nncs2)c2cccnc12 244695588 JPCWFMPTBHLMQN-NSHDSACASA-N 357.439 2.554 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)no1 244852821 UZQOSQGXFLGZRJ-JKIFEVAISA-N 372.473 2.809 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@@H](O)C2)cn1 244678519 IFDSHZLIUNZFQM-FCEWJHQRSA-N 351.406 2.814 0 50 FFAA CC(C)CS(=O)(=O)N1CCC(NCc2cnc(C(C)(C)C)s2)CC1 181118842 ZKYRMUWZQDOKGR-UHFFFAOYSA-N 373.588 2.980 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)c1csc(C)n1)[C@H]1C[C@@H](O)C1 252527555 CWDFKRAOPCIHDN-RSAASHCRSA-N 350.415 2.841 0 50 FFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCOc2cc(F)ccc21 181388833 UFEPKNQXQHJBIM-HOTGVXAUSA-N 363.433 2.738 0 50 FFAA CCn1ccnc1CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 298261071 ZTUHMXMJGNQEPX-SQNIBIBYSA-N 354.454 2.617 0 50 FFAA Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc3c(c1)OCO3)CCC2 182861492 LJZYFDKVXURAJW-ZDUSSCGKSA-N 366.464 2.878 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 299747144 CCHKOIYYXZQFDD-YNEHKIRRSA-N 353.365 2.551 0 50 FFAA CCCCN(C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1COC 299777419 JXGSNONWAOIHOK-UHFFFAOYSA-N 369.425 2.941 0 50 FFAA NCCCOc1ccc(C(=O)N2CC(c3nccs3)C2)cc1Cl 299755803 DZURTGPKGVKRQV-UHFFFAOYSA-N 351.859 2.764 0 50 FFAA Cc1cc(C)c(CC(=O)N2CCC3(CC2)CN(C)CCCN3C)c(C)c1 299780972 CIUWQRHLFGTWPQ-UHFFFAOYSA-N 357.542 2.783 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CCC(c4cc[nH]n4)CC3)c2)nc(N)n1 299798329 QNCDQQHWOPGOQF-UHFFFAOYSA-N 362.437 2.777 0 50 FFAA O=C1C[C@H](C(=O)Nc2ccccc2CN2CCOCC2)C2(CCCCC2)O1 828244577 RIZNDWRSHDPYAY-QGZVFWFLSA-N 372.465 2.723 0 50 FFAA COCCc1nc(-c2cccc3c(C)c(C)[nH]c23)n(C[C@H]2COCCO2)n1 584890237 WKPPZXQSMBZQAQ-HNNXBMFYSA-N 370.453 2.648 0 50 FFAA Cc1nnc(N2CCN(C(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)CC2)s1 1336645923 FMBDXJQESFMQKI-HOTGVXAUSA-N 360.458 2.828 0 50 FFAA COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2cnc(O)cc2C)cc1 762341788 CCPBWROMVMOQBY-XLIONFOSSA-N 356.422 2.617 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1nnc(-c3cccnc3)o1)CC2 1506428935 ZOOTZQJUJADMQB-UHFFFAOYSA-N 352.394 2.707 0 50 FFAA COc1cc(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)ccc1C 1529159296 SDUUHSPOSBQLBX-RTBURBONSA-N 354.450 2.705 0 50 FFAA Cc1nc(CNc2ncccc2C(=O)N2CCCC2)nc2c1CCCC2 1529117889 CJXWDLKNFMWIEV-UHFFFAOYSA-N 351.454 2.907 0 50 FFAA Cc1ocnc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 220135489 WHROKPZDXUUTCJ-ZBFHGGJFSA-N 373.478 2.740 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)cc1 1704299977 WHRLAIYLOPAAAX-IBGZPJMESA-N 353.426 2.579 0 50 FFAA CCN(Cc1nccn1C)C(=O)c1ccc(NCc2ccc(C)o2)nc1 11664362 QLHSYRSRWMGTGF-UHFFFAOYSA-N 353.426 2.991 0 50 FFAA COc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(c3ncccn3)C2)cc1 12301077 VWRVGHSWQNCNJR-KRWDZBQOSA-N 364.453 2.634 0 50 FFAA CC[C@H](C)NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 12448535 BGSLPSTYBJUMIS-KRWDZBQOSA-N 372.557 2.981 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 14748176 WIYILKKRNPZVCV-KRWDZBQOSA-N 370.472 2.925 0 50 FFAA CO[C@H](C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1)c1ccccc1 14882196 GHSWFJVTBPMOKF-FQEVSTJZSA-N 370.424 2.774 0 50 FFAA C[C@H](O)c1cn(CC2CCN(C(=O)c3scc4c3CCCC4)CC2)nn1 19758284 UEKIPZNSKYRNTO-ZDUSSCGKSA-N 374.510 2.824 0 50 FFAA O=C1CCN(c2ccccc2C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)C(=O)N1 1857674337 DMSCGWILAHARSI-ZNMIVQPWSA-N 355.438 2.689 0 50 FFAA CCc1nc(-c2scc3c2CCCC3)n([C@@H]2CCS(=O)(=O)C2)n1 1857676829 MLYVXWBJWRJYSP-GFCCVEGCSA-N 351.497 2.807 0 50 FFAA CCOc1ccccc1N1CCN([C@H]2CCOC3(CCNCC3)C2)CC1 1857677979 HIZXYHMNWOCSKO-SFHVURJKSA-N 359.514 2.509 0 50 FFAA O=C(CCC(F)(F)F)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857683400 RXGKSLRMBSARJK-INIZCTEOSA-N 356.344 2.605 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)o1 1857697250 MBFYFARHTURENS-HUUCEWRRSA-N 350.459 2.852 0 50 FFAA Cc1ccnc(N2CCN(S(=O)(=O)c3cc(C)c(Cl)s3)CC2)c1 408299438 UOGOOHNYFKDPNU-UHFFFAOYSA-N 371.915 2.924 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@@H](Oc2cccnc2)C1 131354517 CRWXMSHWQAWCSV-CQSZACIVSA-N 370.375 2.718 0 50 FFAA Cc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1[C@@H]1COCCN1C 952891956 AZRPHTTUAPLMSK-UYJHFMRCSA-N 362.518 2.540 0 50 FFAA O=C(NC1CN(C(=O)CCc2ccncc2)C1)[C@H]1CCCC2(CCC2)C1 1875338840 NNSHTGDFJCCQBM-KRWDZBQOSA-N 355.482 2.702 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)CC1 1875365811 BELLPTPLVUWOQW-KRWDZBQOSA-N 362.420 2.923 0 50 FFAA NCc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c1 1875315053 GGOTYTITTUSLQB-BLKABHOGSA-N 361.489 2.844 0 50 FFAA COc1cc(Br)cc(N2C(=O)N[C@H](C3C[C@@H]4C[C@H]4C3)C2=O)c1 1875304176 CDFXPDGQDSBEID-UINNMSKDSA-N 365.227 2.929 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@H](c2ccnn2C)C(C)C)cc1 1875373669 KCQXMAQFHZKTNR-KRWDZBQOSA-N 354.454 2.739 0 50 FFAA C=CC(=O)N[C@@H](C)C1CCN(C(=O)[C@H]2CCc3cc(OC)ccc32)CC1 1875385824 CGICRFCSZBGSNN-LIRRHRJNSA-N 356.466 2.654 0 50 FFAA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCO[C@@H]3c3n[nH]c(C)n3)c(C)c2c1 888093731 QBLUFYHABKWZES-GUYCJALGSA-N 353.426 2.719 0 50 FFAA O=C(Nc1ccc(C(=O)C2CCC2)cc1)N[C@H]1CCN(C2CCC2)C1=O 888100320 SUXZWVWIMSPMPT-KRWDZBQOSA-N 355.438 2.944 0 50 FFAA CC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 4473878 VDIZIYFCLMTVGZ-RDJZCZTQSA-N 367.792 2.663 0 50 FFAA CNC(=O)Cc1nc(-c2ccn(C(C)(C)C)c2)n(Cc2ccccc2)n1 2100540051 BCZUPKKAIDWOQX-UHFFFAOYSA-N 351.454 2.838 0 50 FFAA CC[C@H](Oc1ccc(CO)cc1)c1cn(CC[C@H]2CC(C)(C)NC2=O)nn1 2325772831 RZGMYUOPHOMSRC-YJBOKZPZSA-N 372.469 2.605 0 50 FFAA COc1ccc(C(=O)N[C@]2(c3ccccc3)C[C@@H](NC(C)=O)C2)c(F)c1 2325848406 FIXLMYUNVJWYIJ-SGNKCFNYSA-N 356.397 2.758 0 50 FFAA CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCCCCC2)cc1 810136 DCUQOVBGZNMKEZ-UHFFFAOYSA-N 352.500 2.709 0 50 FFAA CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3)n2C)s1 906838 XEMZGKDSSDEOGB-UHFFFAOYSA-N 360.468 2.627 0 50 FFAA CCOC(=O)c1c(C)n(C)c2cc(Br)c3oc(=O)[nH]c3c12 977857 BJFINHSEFCYKHE-UHFFFAOYSA-N 353.172 2.860 0 50 FFAA CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2Cl)C1=O 1214362 JHPRLOSLYKIZRC-IBGZPJMESA-N 370.792 2.907 0 50 FFAA COc1ccc(CN2CC(=O)N(c3ccccc3OC)C2=S)cc1OC 3033713 RXDTXQOLWVFBFO-UHFFFAOYSA-N 372.446 2.846 0 50 FFAA CCOC(=O)c1c(NC(=O)CC)sc2c1CCN(C(=O)OCC)C2 4280988 ABZJBNAWWBEKHS-UHFFFAOYSA-N 354.428 2.788 0 50 FFAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@]12O 6158897 YPNLDFGCFUFMAG-IIDSPLMYSA-N 362.466 2.824 0 50 FFAA CCC[C@H](CC(=O)OCC)NC(=O)CC(=O)Nc1ccccc1OCC 55281790 GQKQZPSYNARVCW-CQSZACIVSA-N 364.442 2.652 0 50 FFAA Cc1ccccc1CN1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 20418570 GXBHMGGFRUXOSH-IBGZPJMESA-N 351.494 2.990 0 50 FFAA COc1ccccc1[C@H](C)N1CCN([C@@H]2COc3ccccc3[C@@H]2O)CC1 225718150 YIZZSMDIJWTOMK-NBCNXNJRSA-N 368.477 2.868 0 50 FFAA Cc1ccc(C)c(OCC(=O)NCCc2nc(-c3ccccn3)no2)c1C 55384758 JZYFBAGKOOIQDP-UHFFFAOYSA-N 366.421 2.795 0 50 FFAA CCOc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc1 104353329 LXUFEQNODLVORB-OAQYLSRUSA-N 369.509 2.858 0 50 FFAA COc1ccccc1-c1nc(CC(=O)N2CCC(C(=O)O)CC2)cs1 20744466 ZBCXZHFTBNJUMT-UHFFFAOYSA-N 360.435 2.684 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N[C@H]1CCCC[C@@H]1C 247996466 PVSUFLPMJMNERZ-ZLSRHUFLSA-N 363.498 2.944 0 50 FFAA NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)cc1F 348679729 WCFCGIVVKSJYCL-HOTGVXAUSA-N 353.353 2.597 0 50 FFAA COc1ccc(Cl)cc1CN1CCC[C@@H](N(CC(=O)O)C(C)=O)CC1 328603753 HBBQKRYWVFQSKW-MRXNPFEDSA-N 368.861 2.636 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@](O)(CN2CCCC2)C1 77298765 DDMILSYNHWKCMO-SFHVURJKSA-N 370.415 2.697 0 50 FFAA COc1ccc(CN(C)Cc2nncn2C(C)C)cc1Cn1cccn1 216349366 LTDDKXXFEOKJFF-UHFFFAOYSA-N 354.458 2.744 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2csc3c2CCCC3)CC1 124849327 MSYAEGYRBTTYGM-QGZVFWFLSA-N 359.495 2.946 0 50 FFAA CN(C(=O)c1ccc2c(O)nc(S)nc2c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 253534974 OMNZWFIPKBSAKB-IACUBPJLSA-N 359.451 2.510 0 50 FFAA O=C(CCc1ccncc1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435571289 TYMOYWMAJRXCPK-INIZCTEOSA-N 356.495 2.642 0 50 FFAA COc1ccc(N[C@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 12433057 OLINAFKJBHQTTQ-SFHVURJKSA-N 373.497 2.891 0 50 FFAA COc1ccccc1-n1nc(-c2ccncc2)nc1[C@@H]1CCCN1C(N)=O 219512482 IWGLJAGGVLEGON-HNNXBMFYSA-N 364.409 2.554 0 50 FFAA Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(N(C)C)n1 152602394 KXNAMMABBSJHIZ-HUUCEWRRSA-N 369.469 2.717 0 50 FFAA O=C(CCCn1cccn1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 77519265 UMMMYGMGYZJFJD-UHFFFAOYSA-N 356.514 2.776 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CCC1=O 77302416 ZJNBAQBYNAXWTL-OAQYLSRUSA-N 372.513 2.789 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)CCC1=O 72421089 LNZIZZLAPCMGHF-OAQYLSRUSA-N 368.481 2.746 0 50 FFAA c1cncc(CN(Cc2noc(-c3ccco3)n2)[C@@H]2CN3CCC2CC3)c1 72154962 UVKHMYIDRATBSH-QGZVFWFLSA-N 365.437 2.821 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)c2c(C)noc2n1 262242884 UNRKYFJADQEAGS-OAHLLOKOSA-N 351.362 2.664 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)CCc3scnc3C)CC2=O)c1 77457366 KWRCPFKOLJLZLK-UHFFFAOYSA-N 371.506 2.872 0 50 FFAA CCCCN1C(=O)CC[C@H]2CN(Cc3c(C)nn(C)c3Cl)CC[C@H]21 72463373 HAVYJMOZTYHMAH-GOEBONIOSA-N 352.910 2.995 0 50 FFAA Cc1cc(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)[nH]n1 72428963 DMXRXVAPUHYDII-LLVKDONJSA-N 362.441 2.808 0 50 FFAA Cn1cnc2cc(C(=O)NCCCSc3ccccc3)ccc2c1=O 216525859 AEVAYIFERNOXFQ-UHFFFAOYSA-N 353.447 2.846 0 50 FFAA Nc1n[nH]c(C(=O)NCc2ccccc2-n2cccn2)c1-c1ccccc1 215878912 YIUABKPYWROMBV-UHFFFAOYSA-N 358.405 2.775 0 50 FFAA Cc1ccc([C@@H](NS(=O)(=O)c2c(C)nn(C)c2C)c2ccccn2)cc1 280281655 PSLCMIKKJVHDTE-GOSISDBHSA-N 370.478 2.808 0 50 FFAA COC(=O)[C@@H](C)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77322749 WWUKBQXPGZTDEE-CQSZACIVSA-N 364.873 2.716 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C(=O)O)c1C 263080629 PTAUFUUHAZYDFV-BLLLJJGKSA-N 368.389 2.579 0 50 FFAA O=C1CC[C@H](NCc2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)N1 282865528 UGEVYBCJBKNIQV-SFHVURJKSA-N 355.482 2.604 0 50 FFAA O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)c(N2CCNC2=O)c1 173290003 KIOCYVVGEZQNIB-UHFFFAOYSA-N 355.785 2.998 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccccc1SC)CC2 426429816 NURXYQPGEPXEQC-UCLAIMLFSA-N 365.495 2.570 0 50 FFAA O=C(CCc1ccccc1Cl)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91848935 VGPFGHYSHSPLGC-QZTJIDSGSA-N 364.917 2.825 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1nc(O)nc3ccccc13)CC2 426701517 YUPIRKBMTDXMSK-UHFFFAOYSA-N 365.389 2.551 0 50 FFAA O=C(O)[C@H](c1ccc2c(c1)OCO2)N1CCC(OCc2cccnc2)CC1 95392970 LLDHMKFKCIGTBQ-IBGZPJMESA-N 370.405 2.617 0 50 FFAA CCc1nc(CN2CC[C@@]3(CCCN(CCCOC)C3=O)C2)cs1 91255139 JNIBRAGMRBYKCV-SFHVURJKSA-N 351.516 2.557 0 50 FFAA CCOc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 92099179 HMECPNGXWZKTHC-QFBILLFUSA-N 370.493 2.877 0 50 FFAA NCCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccccc3F)o1)CC2 91871391 YXTOUJFZGHPBDV-UXHICEINSA-N 374.456 2.776 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(Cc1cc(=O)c3c(C)ccc(C)c3[nH]1)CC2 91595453 GBFPOWQHYDIWPU-MSOLQXFVSA-N 356.466 2.507 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1oc(CC)nc1C)CC2 96164365 RFRZKXQKPUVBOV-UHFFFAOYSA-N 371.485 2.668 0 50 FFAA Cc1ccccc1CN(CCO)C(=O)c1cc(-c2ccccc2O)n[nH]1 91321031 XHCMISPAJDQIPZ-UHFFFAOYSA-N 351.406 2.725 0 50 FFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@H](c1cccnc1)N1CCOCC1 97766875 VNSQLHSLHWMHFD-SFHVURJKSA-N 373.403 2.539 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(O)c1 95527256 RMVFSFKQSPUKRG-KRWDZBQOSA-N 370.497 2.869 0 50 FFAA CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91643728 TUFLFUZECLABMR-JKSUJKDBSA-N 356.495 2.837 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1 91526403 YDSNXTZFPLPQLZ-UHFFFAOYSA-N 356.470 2.661 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@@H](C(=O)O)C2CCCCC2)cc1 240228142 KGQXSAUALZCGMK-KRWDZBQOSA-N 371.437 2.983 0 50 FFAA CCc1cc(O)nc(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 181302093 AQYYASLFCMKFFK-OAHLLOKOSA-N 364.453 2.909 0 50 FFAA COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1 183850791 LAZPHKAERQIZBX-LBPRGKRZSA-N 353.378 2.606 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCCC[C@@H]2c2ncon2)CN1Cc1ccccc1 184177507 CQZQVHTUALKAIW-IAGOWNOFSA-N 368.437 2.562 0 50 FFAA CC[C@@H](COC)NC(=O)c1cccc(-c2ccc3nc(O)nc(O)c3c2)c1 534636213 CRVPSPVDABZTTC-HNNXBMFYSA-N 367.405 2.863 0 50 FFAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN2C(=O)OC[C@H]2C1 374576376 KZBHXEYWZHYFMO-OAHLLOKOSA-N 374.400 2.573 0 50 FFAA COc1ccc2oc(CNC(=O)[C@H](c3cccnc3)N3CCCC3)nc2c1 299761579 LBABAUDNFAJYGA-IBGZPJMESA-N 366.421 2.685 0 50 FFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1N1CCOCC1 823680698 WEEURCIZOBWBJR-NRFANRHFSA-N 367.493 2.898 0 50 FFAA Cc1noc(C)c1CN1CCCn2nc([C@H](O)c3ccccc3)cc2C1 828595601 DNLMLDSOMYYVFL-HXUWFJFHSA-N 352.438 2.976 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)N(C)Cc2cc(-c3cccnc3)no2)n1 584888864 ZQSMKMWALOSAIQ-OAHLLOKOSA-N 368.441 2.953 0 50 FFAA CCc1cccc(OCCN(C)C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c1 584897646 IIFXXFGNNNFUOI-GOSISDBHSA-N 373.497 2.670 0 50 FFAA O=C(NCC1CCN(c2nc(-c3ccccc3)no2)CC1)c1ccco1 952974807 DQOJHHSZAJCHEM-UHFFFAOYSA-N 352.394 2.976 0 50 FFAA O=C(NC[C@H]1CCCN(c2ccncc2)C1)c1ccccc1-c1nc[nH]n1 952967555 BRJRGWHSGHKBCB-OAHLLOKOSA-N 362.437 2.513 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccc(F)cc1Cl 1565527790 DIZMLQZHAAOKLR-IRXDYDNUSA-N 364.804 2.978 0 50 FFAA O=C(O)c1csc(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 274306447 PGHLBIQJJGKUBQ-VIFPVBQESA-N 363.416 2.715 0 50 FFAA COc1cccc(Cl)c1CC(=O)Oc1ccc(O[C@@H](C)C(N)=O)cc1 170596145 CRHFUPGUYPDJAV-NSHDSACASA-N 363.797 2.749 0 50 FFAA COc1ccc(CNc2cc(N3CCSCC3)ncn2)cc1NC(C)=O 170614713 NMDFFRIUEOUXQB-UHFFFAOYSA-N 373.482 2.609 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1CCCO[C@H]1c1ccccc1 170644409 OZIPHKCTUHBDOF-HOTGVXAUSA-N 372.494 2.728 0 50 FFAA CCCC[C@@H](C(=O)Nc1ccc(Cl)c(OC)c1)N1CCCS1(=O)=O 194898505 XVEQIQYUUCSHEI-AWEZNQCLSA-N 374.890 2.881 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)[C@H]1c1ccccc1 1529151868 GKJHGRCOZJEEJJ-JYRKZWEQSA-N 368.477 2.788 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)n[nH]1 213195205 MFSORDDBLFPKRW-HIFRSBDPSA-N 359.499 2.726 0 50 FFAA Cc1ccc(-c2cc(CN3C[C@H](O)[C@H](Cc4cc(C)no4)C3)on2)cc1 1704338482 CIAIKDMLEICXNW-UZLBHIALSA-N 353.422 2.982 0 50 FFAA Cc1ccccc1CNC(=O)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772819879 WMBGYKYRPSRWGI-HNNXBMFYSA-N 371.506 2.709 0 50 FFAA C[C@H](C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)n1cnc2ccccc21 1772708414 BSRKMRGZKNMQHO-OAHLLOKOSA-N 364.449 2.702 0 50 FFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC(=O)C2CCCC2)C1 12056829 FQCMFIVIVUIUCW-QGZVFWFLSA-N 372.513 2.758 0 50 FFAA Cc1cccnc1CN(C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O 12318457 KUNPELAUNUFBLJ-NRFANRHFSA-N 359.514 2.756 0 50 FFAA COc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 12406008 SZNHMGGJWDOPSL-UHFFFAOYSA-N 354.406 2.949 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCO[C@@H](CCc2ccccc2)C1 12586860 HTJABOBVVVTRNY-SFHVURJKSA-N 353.418 2.932 0 50 FFAA O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)C2)CC1 12587497 ANWMFIBFHYSLQR-KRWDZBQOSA-N 354.450 2.509 0 50 FFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)[C@H]2CCCO2)CC1 12593361 WVGMHNBIFUKYAQ-QGZVFWFLSA-N 363.429 2.719 0 50 FFAA CN1CCCC[C@H]1CCNC(=O)c1ccc(NCC2CCOCC2)nc1 12702733 VPQIVBMHSLGCHX-SFHVURJKSA-N 360.502 2.524 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNCc2ccc(Cl)s2)CC1 14956956 AJTJSZJSUCHTLJ-UHFFFAOYSA-N 364.902 2.755 0 50 FFAA COc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1Cl)CCCC2 169755652 MXQOZUNCYDCLPJ-UHFFFAOYSA-N 364.804 2.916 0 50 FFAA Cc1n[nH]cc1-n1ccnc1-c1ccc(OCCCN2CCOCC2)cc1 1857696046 JUMGWICSXZWXIQ-UHFFFAOYSA-N 367.453 2.672 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C3CCCCCC3)C[C@]23CC[C@H]1O3)c1ccon1 1857717863 CASAMGRHCBPJSX-IXIUHKBRSA-N 359.470 2.607 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2ccc(Br)cc2F)C1 237524079 CFACHWHDQSMIBB-OAHLLOKOSA-N 358.207 2.844 0 50 FFAA CN(C(=O)NCCc1cccc(O)c1)[C@@H]1CCCN(c2ccccc2)C1=O 115818365 COMNWWNMYPTHQE-LJQANCHMSA-N 367.449 2.772 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cccc3c2ccn3C)o1 328615421 YHIDCQNQPGMRHC-MRXNPFEDSA-N 354.410 2.898 0 50 FFAA CC(C)N(C)c1cnn([C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)c(=O)c1 328969819 UNYCKBJBWAMNHZ-MRXNPFEDSA-N 368.485 2.597 0 50 FFAA C[C@@H](N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1cc2ccccc2o1 240454740 FYKIRXDCHDIKBX-GDBMZVCRSA-N 352.438 2.846 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(c4ccccc4F)CC3)n[nH]c21 1875395154 NTSPUMNSGBNAMH-KGLIPLIRSA-N 372.444 2.924 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](CC(C)C)C(=O)O 262424439 DBVDQDGGHLUWHK-WMZOPIPTSA-N 358.438 2.814 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)CCO1 263046927 WKCUTVWKQUVJGC-NFAWXSAZSA-N 372.446 2.658 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(-c2ncn[nH]2)c1 162586857 ZCIALFGSCJSXTC-UHFFFAOYSA-N 362.368 2.727 0 50 FFAA O=C(O)CCCN1CCC(NCc2cc(-c3ccc(F)cc3)on2)CC1 1875298609 HKKFMRDVUFXEHI-UHFFFAOYSA-N 361.417 2.900 0 50 FFAA C=CC(=O)NC[C@H]1CN(C(=O)CCCc2cc(C)sc2C)CCCO1 1875383983 IOJSSHJCDXPPDJ-KRWDZBQOSA-N 364.511 2.607 0 50 FFAA CCN(C(=O)c1ncoc1C)[C@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 1875302351 MDTNVSMTHMXHLB-AWEZNQCLSA-N 357.458 2.812 0 50 FFAA CCN(C(=O)c1ccnc2c(C(F)(F)F)cccc12)[C@@H](C)C(=O)NC 1875312996 VQSBEGAXIUFGGT-JTQLQIEISA-N 353.344 2.850 0 50 FFAA O=C([C@H]1CCC2(CCCCC2)NC1)N1C[C@H](Cn2cnnc2)C2(CCC2)C1 1875404275 CCTFXKKDAULMTL-ROUUACIJSA-N 371.529 2.609 0 50 FFAA C[C@H]1C[C@H](NC2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 301513549 BZOXBMJJAITVHC-DOTOQJQBSA-N 369.490 2.778 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N1CCC[C@H]([C@@]23CC[C@@H]2CCN3)C1 2325787773 WHRUSOGXHYLVLV-KGVIQGDOSA-N 368.525 2.753 0 50 FFAA CN(Cc1ccccc1)CC1CCN(C(=O)c2cc3cn[nH]c3cn2)CC1 2325804458 QPTNRWZJBKFLAA-UHFFFAOYSA-N 363.465 2.942 0 50 FFAA CCN(C(=O)[C@@H]1C[C@@H]1C)[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325875905 FKVZTPMKGSBTIQ-JCGIZDLHSA-N 351.450 2.954 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1C 2356151889 FKILKGIIPDXEMG-NRFANRHFSA-N 356.466 2.828 0 50 FFAA Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 3597969 PWTMDMGLSUUGQU-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 7281924 GSQQEHKQKUQSRB-UHFFFAOYSA-N 357.498 2.620 0 50 FFAA CC(C)Nc1cc(N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)ncn1 106944457 FEWFDXRQWBLRHI-SFHVURJKSA-N 373.476 2.509 0 50 FFAA COc1ncc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cn1 67934673 IOWLDBDIFLXQRB-OAHLLOKOSA-N 363.421 2.895 0 50 FFAA Cc1cc(N)n(CC(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n1 67739803 RDECDQCSLSTOPY-GOSISDBHSA-N 355.829 2.728 0 50 FFAA CC(C)c1nc(Cn2cnc3ccsc3c2=O)n(-c2ccccn2)n1 65491492 QNTUQGIXSDFRSB-UHFFFAOYSA-N 352.423 2.605 0 50 FFAA Cn1ccnc1SCCNc1nc(-c2ccccc2)nc2c1CCNC2 67741141 AKZUYZHNMVUHAI-UHFFFAOYSA-N 366.494 2.727 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 65381780 RNIAGEZDRADVFJ-UHFFFAOYSA-N 353.426 2.902 0 50 FFAA OC1(c2cccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1 71419326 QGZDRPSPFCRCNZ-UHFFFAOYSA-N 352.360 2.855 0 50 FFAA COc1ccnc(N2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)n1 215698132 DJQZGEAJFRXBIH-OAHLLOKOSA-N 360.483 2.720 0 50 FFAA O=C1CCCN1c1cccc(OCC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 120274476 HJJLLDVVDSHSHT-KRWDZBQOSA-N 368.437 2.669 0 50 FFAA Cc1cc2nc(CN(C)Cc3cccc(OCC(N)=O)c3)[nH]c2cc1C 214969436 CXPGWGYTHGULPV-UHFFFAOYSA-N 352.438 2.676 0 50 FFAA Cc1noc(C2CCC(N[C@H](c3nccn3C)C3CCOCC3)CC2)n1 366500715 NSMYUIYLYSVKLQ-JCYILVPMSA-N 359.474 2.895 0 50 FFAA Cc1ccc(CCC(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)o1 328629376 OUFVATWFCUQBOD-GOSISDBHSA-N 370.453 2.511 0 50 FFAA COCCc1noc([C@@H]2CCCN(Cc3n[nH]c4cc(OC)ccc34)C2)n1 72148037 DTLKITWZAAUFJR-CYBMUJFWSA-N 371.441 2.523 0 50 FFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC(c2ccn[nH]2)CC1 125386448 RUWGSHXXZIFBPF-MRXNPFEDSA-N 356.451 2.619 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 334128946 RVVNHNMDRCOQJR-VXIBKDFQSA-N 365.857 2.872 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Oc5ccccc5)cc4)C(=O)[C@H]13)O2 217348544 NWJPRZDCURYBDX-WIRSXHRWSA-N 363.369 2.850 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)n[nH]1 331850370 QPIGNERMFNGOJP-SNVBAGLBSA-N 355.364 2.744 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)CCSCc3ccc(F)cc3)C2)OC1=O 219240759 GYNVEXRQIXBLIX-GOSISDBHSA-N 366.458 2.892 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(CC2CC2)[C@@H](CCO)C1 222629690 ONQYTUYOBLMXRZ-KRWDZBQOSA-N 370.415 2.553 0 50 FFAA Cc1cccc(N2CCC(NC(=O)[C@H]3COc4ccccc4C3)CC2)n1 172248642 YREUZOIZVYQYKA-QGZVFWFLSA-N 351.450 2.726 0 50 FFAA CSCc1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)O)C3)CC2)o1 221242376 SABZBIGWASLVMF-ZDUSSCGKSA-N 366.483 2.544 0 50 FFAA CC(C)(O)c1cn(C2CCN(C(=O)Cc3cccc(Cl)c3)CC2)nn1 48302729 HGQUZVQXLOCUJO-UHFFFAOYSA-N 362.861 2.565 0 50 FFAA C[C@H]1CCc2c(sc3[nH]c(=S)n(CCN4CCOCC4)c(=O)c23)C1 17075152 HPCJIISZJDJHQL-NSHDSACASA-N 365.524 2.578 0 50 FFAA CCC1(CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)COC1 456511790 UCUTUUHSEGLYAN-UHFFFAOYSA-N 368.433 2.752 0 50 FFAA C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2NC1=O 132013498 SXNUTERESMUXBC-CQSZACIVSA-N 373.478 2.532 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cc[nH]c1C1CC1 286214752 CHVBFRHRNGBYAX-HNAYVOBHSA-N 355.486 2.781 0 50 FFAA CCCCOCN(C(=O)CS(=O)(=O)O)c1c(CC)cccc1CC 43215007 ZPLBIPFYPKPMFB-UHFFFAOYSA-N 357.472 2.806 0 50 FFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCc3cc[nH]n3)csc2C1 426379757 OTGNYIVAUNETSJ-UHFFFAOYSA-N 371.466 2.564 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc2c(c1)OCO2 222576294 OTUBQHDDJMCUFY-VQIMIIECSA-N 355.390 2.519 0 50 FFAA Cc1cn2cc(C(=O)NCCc3csc(-c4cnccn4)n3)ccc2n1 82156109 ZSUQPLUQDHOBMX-UHFFFAOYSA-N 364.434 2.529 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCCN(c2ccccc2)CC1 195353230 RCWUAHGVNOTIMZ-UHFFFAOYSA-N 365.477 2.876 0 50 FFAA CCc1noc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1 95500551 NOYNIYBRHXZBHH-MAUKXSAKSA-N 352.482 2.696 0 50 FFAA CCN1CC[C@H](CNC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)C1 426489465 BKJGUCBZRWAOJC-CQSZACIVSA-N 356.470 2.586 0 50 FFAA CSCC[C@H](N)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 237310920 YMUALSFQGNXUPN-INIZCTEOSA-N 355.935 2.501 0 50 FFAA O=C(c1nccnc1-c1ncnn1C1Cc2ccccc2C1)N1CCCCC1 91848290 HIHBMLMIHBZVCS-UHFFFAOYSA-N 374.448 2.701 0 50 FFAA C[C@H](c1ccc(F)cc1)N1CCC[C@@H](N2C(=O)[C@H]3CCCCN3C2=O)C1=O 333562170 QTURXXPUWOVLOH-KBRIMQKVSA-N 373.428 2.694 0 50 FFAA O=C(NCCCOc1ccc(CN2CCOCC2)cc1)C1CCCCC1 20911325 NUFMWWKUPHOMNZ-UHFFFAOYSA-N 360.498 2.984 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c(C)o1 91706455 OFDPBPAWCULZFX-DOTOQJQBSA-N 353.422 2.668 0 50 FFAA CCn1ncc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c1C 97655533 ZREXJLZMYWFHOJ-UHFFFAOYSA-N 362.424 2.884 0 50 FFAA COc1ccc(F)cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91643635 GJWREMUIWYNHIH-JKSUJKDBSA-N 361.344 2.914 0 50 FFAA Cc1[nH]nc(CCC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c1C 97713732 OKHDYZIIAJGAAI-LJQANCHMSA-N 354.498 2.955 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 91694248 GOXKUISGRIOZFW-OAHLLOKOSA-N 360.502 2.890 0 50 FFAA O=C(CN1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)NC1CCCCC1 91624718 ANTUVCDRWXSTGU-OAQYLSRUSA-N 361.530 2.550 0 50 FFAA CCn1nc(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)c2ccccc21 95528877 DBDURUVXKITSIQ-OAHLLOKOSA-N 365.433 2.932 0 50 FFAA O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@@H](OCCO)C1 178628107 GNCLXGHVTLIWEZ-GOSISDBHSA-N 365.433 2.639 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCC[C@@](CO)(CC3CC3)C2)CC1 91807184 VXJUMLZHEZCVGY-OAQYLSRUSA-N 357.498 2.561 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(c1nc(-c3ccccc3)no1)CC2 91907069 MKSRAHVKQRGHIW-UHFFFAOYSA-N 364.453 2.833 0 50 FFAA Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-c2ncn(C)n2)cc1 180298853 LXDOSRZMBSDNIF-HNNXBMFYSA-N 350.422 2.988 0 50 FFAA CC(C)n1cnc(S(=O)(=O)NCc2ccccc2N2CCCCC2)c1 183497210 VHTFHGAUVIQTER-UHFFFAOYSA-N 362.499 2.933 0 50 FFAA CC(C)c1nc(CCNC(=O)CCS(=O)(=O)c2ccccc2)cs1 299755496 DOWRLWTZBHCHHB-UHFFFAOYSA-N 366.508 2.789 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCN(C2CCCCC2)CC1 299766384 CXWISYHSOPIJGC-UHFFFAOYSA-N 360.502 2.599 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)n2)c1 299790853 BYJOCZQVMZQDIU-OAHLLOKOSA-N 369.421 2.927 0 50 FFAA CCN(C(=O)c1cccc(-c2cccc(N(C)C)c2)c1)[C@H]1COC[C@@H]1O 299770162 QUVSPLSEMTXONA-PMACEKPBSA-N 354.450 2.641 0 50 FFAA CCCc1cnc(C)nc1NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299776604 AFQMUBHNGAOWIV-UHFFFAOYSA-N 356.474 2.544 0 50 FFAA CCN1CC[C@H](NC(=O)N2CCN(c3cccc4ccccc34)CC2)C1 584885528 QPBHMRBRVDPZFZ-SFHVURJKSA-N 352.482 2.766 0 50 FFAA O=C(NCc1nc(-c2cccnc2)no1)c1cc2ccccc2c(=O)s1 828147313 MZCUQNLGKWMZOQ-UHFFFAOYSA-N 364.386 2.637 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)c(C)c1 952983538 GVAGRAPEYPKXGP-INIZCTEOSA-N 355.438 2.798 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H](c1cccc(C)c1)N(C)C 952973930 HYWSZQLNHVUMOP-IBGZPJMESA-N 365.437 2.826 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1ccc(-n2cccn2)cc1 952970721 VGDOXWNSIGLLBL-UHFFFAOYSA-N 360.377 2.714 0 50 FFAA Cc1c(C(=O)NCC[S@@](=O)c2ccccc2)c(O)nc2ccccc12 170653272 CMBJYNLMJXKNBD-RUZDIDTESA-N 354.431 2.786 0 50 FFAA COc1ccc([C@@H]2[C@@H](C(=O)N3[C@@H](C)CC[C@H]3C)OCC(=O)N2C2CC2)cc1 1529173861 QQAOUNCFCMWACO-ITHTXLDVSA-N 372.465 2.526 0 50 FFAA Cn1cc(Cl)c(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1529146010 TXLIMCNAIRKVLG-CXAGYDPISA-N 370.840 2.609 0 50 FFAA Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)nn1 217080803 CBDCBTSVEKUBSQ-WBVHZDCISA-N 356.495 2.907 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)CCc1nnc(CCc2ccccc2)o1 11843720 NHIQKKNRKYPURY-INIZCTEOSA-N 367.453 2.579 0 50 FFAA CC1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 12199336 MYSMFTLVGFCDFT-IBGZPJMESA-N 352.425 2.550 0 50 FFAA Cc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)CN1CCOCC1 15019520 IZMLFLJRMMOWSY-UHFFFAOYSA-N 371.412 2.657 0 50 FFAA O=C(/C=C/c1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19227761 OYSIKABTKLFMDM-UZYOAWRESA-N 363.672 2.845 0 50 FFAA COc1ccc(OC)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 19418398 XTZKQFHIDTTXAK-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA O=C(c1cccnc1)N1CCN(Cc2ccc(Br)cc2)CC1 19773923 SMHJIGLENKMESU-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA CCOCCOc1ccc2c(c1)CCOC21CCN(c2ncccn2)CC1 1857676670 WHZZLWZPFNGICX-UHFFFAOYSA-N 369.465 2.960 0 50 FFAA CC(C)CN(C)C(=O)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857697447 ANAIAMWCDHVQHU-OAHLLOKOSA-N 372.494 2.596 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1C 1857710958 DDTHHBZNDNOFHC-XHYAQGIWSA-N 373.493 2.715 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875250596 PCFYUESCGVNATM-IRXDYDNUSA-N 373.840 2.582 0 50 FFAA O=C(CN1CCN(C2CC2)CC1)N[C@H](c1ccc(F)cc1)C1CCCC1 125821286 BNVLSWCQKDMYON-NRFANRHFSA-N 359.489 2.953 0 50 FFAA CN(c1ccccc1)c1ccccc1C(=O)N1CCO[C@@H](CC(=O)O)C1 237064331 NKHLRHMDDMQMEJ-INIZCTEOSA-N 354.406 2.770 0 50 FFAA O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1CCCOC1 136692968 RZKGWPLZHWLCDO-OAHLLOKOSA-N 366.889 2.726 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)nc1O 253534400 XJRRLAODCGFQDV-MAZHCROVSA-N 370.405 2.994 0 50 FFAA C[C@@](O)(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2C=CC=NC2=O)no1 903385811 MWQHHKNDYCHFKK-XHDPSFHLSA-N 351.284 2.595 0 50 FFAA COc1cc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@H]32)ccc1OCc1cccnc1 906094190 DLTJHYOLNBDIDV-RYGJVYDSSA-N 366.417 2.511 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cnn(-c3cccc(Cl)c3)c2)C1 1875301202 DJEHDZNWMBQZDR-OAHLLOKOSA-N 372.856 2.567 0 50 FFAA C=CC(=O)NCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncnc2c(C)csc12 1875386110 JECFRFOXJJBWCD-JSGCOSHPSA-N 372.494 2.933 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cc(-c2cc3ccccc3o2)[nH]n1 888102546 XCUWTAKBEWRPJV-LBPRGKRZSA-N 373.434 2.976 0 50 FFAA CO[C@H]1CC[C@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C 889314887 NESULLKAHMNYSM-YPMHNXCESA-N 352.232 2.585 0 50 FFAA CN(C)[C@H](CNC(=O)C[C@H]1CCC2(CCOCC2)CO1)c1cccs1 895463712 BCSVIWAINUXGAU-HZPDHXFCSA-N 366.527 2.833 0 50 FFAA COC(=O)[C@H](CNC(=O)CC/C=C/Br)Cc1ccc(F)cc1 2325771287 XHJYTVZRZYSXBF-FOWFJEMPSA-N 372.234 2.962 0 50 FFAA COc1ccc(-c2cc(N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)ncn2)cc1 2325785584 FIVUDYZDAYHZDW-NIKGAXFTSA-N 365.437 2.600 0 50 FFAA COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Cl)cc1 877905374 IHXQXNGPCYAUAI-HNNXBMFYSA-N 370.877 2.929 0 50 FFAA COc1cc(OC)c(C2=NO[C@H](C(=O)NCc3ccco3)C2)cc1Cl 1062722 QUDFMBJMMFOYMA-INIZCTEOSA-N 364.785 2.760 0 50 FFAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 1088675 JEBKMUZVRUKVCO-JTQLQIEISA-N 366.266 2.957 0 50 FFAA O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1158557 GTVVRZMRZUOEHU-UHFFFAOYSA-N 364.511 2.926 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 1165343 FRESPEPPHPIOMZ-AWEZNQCLSA-N 370.380 2.994 0 50 FFAA O=c1cc(CN2CCC3(CC2)OCCc2sccc23)nc2sccn12 2356154127 IXTOJPZGLXURNV-UHFFFAOYSA-N 373.503 2.882 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356165904 KIFSXBHQOSWMAB-UHFFFAOYSA-N 372.432 2.885 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1 2836935 VOGAAQUVOXQBML-UHFFFAOYSA-N 354.378 2.532 0 50 FFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCc1ccccc1 3006018 VCEWYDYXQCBMMM-UHFFFAOYSA-N 367.836 2.923 0 50 FFAA NC(=O)c1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCCC2 6670005 PZINRTPMPRPOEV-UHFFFAOYSA-N 373.478 2.752 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 6760139 FCNGITDINMGTCP-BXKDBHETSA-N 374.388 2.981 0 50 FFAA CCc1nc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)no1 110966948 NOWGCAWNUUKGTO-LJQANCHMSA-N 350.378 2.752 0 50 FFAA C[C@H](CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C[C@@H](C)O 225474475 QKURYOUFOVUIJQ-VHSXEESVSA-N 357.332 2.892 0 50 FFAA CN1CCN(Cc2csc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 107398748 HYIILYATLWZEBM-HXUWFJFHSA-N 370.522 2.596 0 50 FFAA CCOC(=O)N1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 67675109 QXVDUXDYDFWLQZ-UHFFFAOYSA-N 365.437 2.670 0 50 FFAA CN(Cc1ncc[nH]1)C(=O)c1coc(COc2cccc3cccnc23)n1 67678781 KSNCSXOXXLSPLJ-UHFFFAOYSA-N 363.377 2.797 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 23582234 LEWWSGJFXCPEKP-UHFFFAOYSA-N 362.817 2.843 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N(C)Cc2[nH]nc3c2CCC3)c1 67934222 JYTWKMONNGMIKJ-UHFFFAOYSA-N 351.410 2.569 0 50 FFAA C[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1cnc2ccccc21 175671859 PEFPALHQACDRSJ-MRXNPFEDSA-N 363.465 2.773 0 50 FFAA CCc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc1 20449737 MSOSKTIEKGGDTN-QHCPKHFHSA-N 373.585 2.990 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(N3CCC(Oc4ncccn4)CC3)c12 67847532 VIIVFUXYZPSHCR-UHFFFAOYSA-N 371.422 2.536 0 50 FFAA COc1ccccc1N1CCC(NC(=O)CCc2nc(C(C)C)no2)CC1 138665017 AVZJIRKRDDPTSQ-UHFFFAOYSA-N 372.469 2.919 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCN[C@H]2CCC(=O)N(CC3CC3)CC2)n1 65526879 XOFOFIMYMKSXMF-AWEZNQCLSA-N 370.419 2.727 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 67878458 VSLLIJJXWBEGKX-INIZCTEOSA-N 366.469 2.960 0 50 FFAA CCC1=NO[C@@H](CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1 65506641 RIYJCVJTNYYCRW-MRXNPFEDSA-N 365.861 2.512 0 50 FFAA Cn1c(S)nnc1-c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3052079 YAKDKTSIEBZCKA-UHFFFAOYSA-N 366.368 3.000 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)c[nH]1 77388133 RWPJTNZODZCXMR-NRFANRHFSA-N 373.497 2.574 0 50 FFAA COCc1nc(C2CC(N)C2)cc(N(C)Cc2noc(C3CCCC3)n2)n1 218833913 UBWGAEZIFRFRMW-UHFFFAOYSA-N 372.473 2.505 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](Nc3ccc(OC)cc3)C2)cn1 72158785 WRFVQFFJSKMRPI-INIZCTEOSA-N 355.442 2.634 0 50 FFAA COC(=O)c1ccc(N2CCN([C@H](C)c3cnc(C)cn3)[C@@H](C)C2)cc1 253433093 RVCZLRRJMFBKCR-JKSUJKDBSA-N 354.454 2.843 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCCN1C(N)=O 72477789 UBWDFZCTQREOCH-SFHVURJKSA-N 353.422 2.980 0 50 FFAA CN(CC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1)Cc1ccncc1 72431838 WAKSONJPFVZDNM-SFHVURJKSA-N 367.428 2.893 0 50 FFAA O=C(Cn1ncc2ccccc21)N(Cc1ccccn1)C[C@@H]1CCCO1 219144897 XCBVKAYMWCZXBB-SFHVURJKSA-N 350.422 2.639 0 50 FFAA COC(=O)c1cc(NC(=O)N2CCO[C@@](C)(c3ccccc3)C2)cn1C 361311642 VXQNEQUMQNYDKE-LJQANCHMSA-N 357.410 2.591 0 50 FFAA O=C(CNC(=O)Cc1ccccc1)NCc1ccc(-c2cccnc2)cc1 363274824 PIJZGNVPFZRSAX-UHFFFAOYSA-N 359.429 2.724 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cn2)n1 363408661 SZNNZMZUPFXDHB-KRWDZBQOSA-N 366.425 2.512 0 50 FFAA Cc1csc(SCC(=O)NC[C@H]2CCCN(c3ccccn3)C2)n1 219746225 LYKXRKAQMLGGIM-CQSZACIVSA-N 362.524 2.971 0 50 FFAA NC[C@@H]1CN(C(=O)c2ccc(Br)cc2N)C[C@H]1c1ccccc1 262186774 JHCIAIYUSBAWOT-CJNGLKHVSA-N 374.282 2.846 0 50 FFAA Cn1cnc2c(C(=O)N3CCC4(CC3)OCCc3ccsc34)ccnc21 561620917 UBHLIKMMRGWSGQ-UHFFFAOYSA-N 368.462 2.734 0 50 FFAA Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc(C)nc2C)c1 128745830 YLTPRGZSUJYSSF-UHFFFAOYSA-N 368.480 2.520 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1ccc(CN)o1 237514307 LBLDGTHIRVYPIW-HZPDHXFCSA-N 355.482 2.967 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)cc(C)n1 77392459 JOJUWIPAYNOINR-MRXNPFEDSA-N 351.450 2.984 0 50 FFAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC)C[C@H]1CC 456335779 APLAIEROJSZJJA-MRXNPFEDSA-N 356.470 2.827 0 50 FFAA CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 44901431 RUCHYPYWJLUCLY-LLVKDONJSA-N 366.468 2.692 0 50 FFAA Cc1cc(C)c(CN2CCCC[C@H](N(C)C)C2)cc1CN1CCN(C)CC1 82098786 HJUOUEVTKVDRIQ-QHCPKHFHSA-N 372.601 2.967 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cccnc2)CC1 82160846 DLWRTOMDYHHOSD-UHFFFAOYSA-N 354.502 2.668 0 50 FFAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)n1 223628314 DGJVKOCXCODLNZ-IBGZPJMESA-N 352.482 2.807 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2cc(OC)ccc2OC)cc1 426552145 XFWNYOHHVMCQIB-AWEZNQCLSA-N 370.449 2.967 0 50 FFAA CCc1nc(NC(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)nn1C 48148086 PPGHOXCZVQFOKZ-UHFFFAOYSA-N 371.420 2.641 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 426397647 VPWGQQMXIWJEAI-SFHVURJKSA-N 372.490 2.908 0 50 FFAA COc1cc(OC)nc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 287769176 NQTUPUKIGPNJIB-SECBINFHSA-N 357.336 2.620 0 50 FFAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2c(C(=O)O)cnn2C)c1C 20602686 RFEKWVLOBHCSLT-UHFFFAOYSA-N 367.409 2.541 0 50 FFAA CNC(=O)c1ccc(NC(=O)N[C@@H](CCO)c2ccc(C)cc2)c(C)c1 97729702 WUGDAGVVTMMMMI-SFHVURJKSA-N 355.438 2.908 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 97272360 LAAJJMOYEOAONM-GOSISDBHSA-N 369.509 2.887 0 50 FFAA COc1ccc(F)cc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91594507 YUKDJRBAOQGFLO-FQEVSTJZSA-N 360.429 2.699 0 50 FFAA COc1cccn(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1=O 95524039 OPNWWQPGYJSFLG-CQSZACIVSA-N 369.446 2.830 0 50 FFAA O=C1CCC2(CCN(c3nccc(C4CCCC4)n3)CC2)CN1CCCO 92066583 ORVYEXRFYBHKOR-UHFFFAOYSA-N 372.513 2.726 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 95518774 SRNRUVNUNNLLNY-MRXNPFEDSA-N 357.454 2.828 0 50 FFAA COCCn1cnnc1[C@@H](C)Nc1cc(C)nc(Nc2cccc(O)c2)n1 91433787 WGFMVCRUDLJSMU-CYBMUJFWSA-N 369.429 2.645 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 290267440 AUHUHIGNHHTWSU-HIFRSBDPSA-N 359.861 2.718 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1Cl 267513196 CKYCIIQFPHDEGD-QSYFUGGGSA-N 352.847 2.665 0 50 FFAA CCc1ncc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)cn1 96180458 OUNZDQMEGOIPAZ-UHFFFAOYSA-N 369.375 2.906 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c2ccc(Br)cc2n1 178259015 XSUNORDWGRYGHI-SNVBAGLBSA-N 363.211 2.852 0 50 FFAA O=C1C[C@@H](C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)c2ccccc2N1 23339036 YWBQXEKWPPWJDT-CYBMUJFWSA-N 362.389 2.680 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@H](CN)C2)o1 178556991 DWNLDOYUXMTFCW-OAHLLOKOSA-N 350.422 2.862 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Cl)cc1 239338875 LJFLIQNRTYSBHL-OZINRZGZSA-N 370.836 2.722 0 50 FFAA Cc1[nH]c2c(C(=O)N3CCN(CCN4CCCC4)CC3)cccc2c1C 96132982 PLJDQRXTMWZLRE-UHFFFAOYSA-N 354.498 2.638 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN1CCN(C)[C@H](c2ccccc2)C1 244741991 OAEXESNIENBYKZ-FQEVSTJZSA-N 366.465 2.572 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N(C)C[C@@H]3CCCCO3)CC2)c1 240517179 NWIXBMZMXOWMPF-FQEVSTJZSA-N 359.514 2.535 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCSC(C)C)[C@@H](C)C2=O)cc1 534675253 ANIMKGDGAYRWPF-AWEZNQCLSA-N 365.499 2.584 0 50 FFAA C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 185074382 AXUMHYCHQJFESI-YJYMSZOUSA-N 356.447 2.524 0 50 FFAA O=C(CCCn1cccn1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1940196554 RVANJQRPCFIMJS-XLIONFOSSA-N 364.449 2.585 0 50 FFAA Cn1cc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)c2ccccc21 56235228 OHIDHJYCUWJPFX-UHFFFAOYSA-N 351.406 2.760 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)c3cnc(NC(C)C)nc3)nc2c1C 299797267 PMYFXTMPULSESE-UHFFFAOYSA-N 352.442 2.763 0 50 FFAA CC[C@@H]1C=CCN1C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 299767167 GRALQDCLUPLVRS-QGZVFWFLSA-N 372.465 2.733 0 50 FFAA O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1cccc(C(F)(F)F)c1 390834913 RBLCHTJNQRXRNP-CYBMUJFWSA-N 364.323 2.774 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NC2CCN(C3CCCC3)CC2)no1 584896103 ORBPNYACMIYDLH-UHFFFAOYSA-N 363.506 2.817 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cnnn3)cc2)c(C)c1 822534965 DDZILQGDPJIRFH-UHFFFAOYSA-N 364.409 2.631 0 50 FFAA Cc1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1cnc(N(C)C)nc1)CC3 825206776 AZMJBIFPUIJHAS-FNORWQNLSA-N 361.449 2.930 0 50 FFAA COCCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC(=O)OC12CCCC2 952984786 RVUKBDOBQUTESP-QGZVFWFLSA-N 361.438 2.546 0 50 FFAA CNC(=O)c1ccn([C@@H]2CCCN(CCCOc3ccccc3C)C2)n1 275526290 BWVVOVUMZWRCKB-QGZVFWFLSA-N 356.470 2.657 0 50 FFAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NCC(F)(F)F 170631839 VUFUZVFCCUXMTN-UWVGGRQHSA-N 369.384 2.608 0 50 FFAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCO[C@@H](C(F)F)C1 194140590 YOYKSEAUMHQJBS-GFCCVEGCSA-N 371.771 2.815 0 50 FFAA Cc1ccc(N2CCC[C@@H](NC(=O)c3nc(C)n4ccccc34)C2=O)cc1 742008313 FBFZOMXDIFFPRX-QGZVFWFLSA-N 362.433 2.877 0 50 FFAA CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)c1ccc(F)cc1 1191635227 MCKJMARIRURUBK-MRXNPFEDSA-N 350.415 2.615 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506406031 FBZOWEOSHSZAMH-NRFANRHFSA-N 372.432 2.788 0 50 FFAA CN(C)C(=O)c1cccc(N[C@@H]2CCCN(Cc3cccc(O)c3)C2)n1 1529133193 GCJXAZQUPNLORA-MRXNPFEDSA-N 354.454 2.566 0 50 FFAA CSc1ccccc1NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCOCC2)C1 219876218 ARJDWJAQRFGLCR-KGLIPLIRSA-N 363.483 2.558 0 50 FFAA CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 12023491 VVWOEYSOQSNFRR-OAQYLSRUSA-N 374.431 2.950 0 50 FFAA CC(C)CCN[C@@H]1CCc2c(sc3ncn(CCN(C)C)c(=O)c23)C1 12332043 AWBCWLGPTOLOPJ-CQSZACIVSA-N 362.543 2.513 0 50 FFAA CN1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2ccccn2)nc1 12434751 JURMLVQQLPLOEK-GOSISDBHSA-N 353.470 2.693 0 50 FFAA COCCN1CCC[C@]2(CCN(C/C=C/c3ccc(O)c(OC)c3)C2)C1 12456593 HWCKUZZZFMBWOR-LAEWNIMASA-N 360.498 2.848 0 50 FFAA O=C(NCCc1ccco1)c1coc(COc2ccc3c(c2)OCO3)n1 12576695 SNBVLTWRYQPTFB-UHFFFAOYSA-N 356.334 2.548 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 12716098 ABTPUMVUJGUGBB-OAHLLOKOSA-N 361.417 2.949 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCN(c2ccccc2)C1=O 14960826 IXIVRWDWLKURNU-FQEVSTJZSA-N 374.444 2.601 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 14981622 JSXRKUZKFAGCIA-OAQYLSRUSA-N 356.466 2.836 0 50 FFAA CCN1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 16602290 ONCCUYUTGBYCNM-LBPRGKRZSA-N 355.276 2.817 0 50 FFAA CCN1CCN(Cn2nnc3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 19328727 VVJQHWQANUYNNR-GOSISDBHSA-N 352.398 2.633 0 50 FFAA CC(C)c1noc(-c2cccn3c(CNC(=O)C4CCCC4)nnc23)n1 169780674 YAONCIYGPHLPPG-UHFFFAOYSA-N 354.414 2.709 0 50 FFAA O=C(O)c1n[nH]c2c1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)CC2 1857672617 IGTRWNXQJGOOCZ-UHFFFAOYSA-N 369.812 2.777 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(Cl)cc3F)C[C@]23CC[C@H]1O3 1857718936 AUDXFSHHQAMVJH-BUIAKZPTSA-N 366.864 2.985 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)CC[C@H]1O 1857737291 GKCCXUQQZFLOOQ-CTNGQTDRSA-N 371.481 2.625 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(CCOc1ccccc1)C2 219426670 WEDWFLKPWKKHCU-MSOLQXFVSA-N 369.465 2.793 0 50 FFAA Cc1c(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)nnn1-c1ccn(C)n1 333717304 HLRXMDYYIHTIIN-QGZVFWFLSA-N 356.474 2.740 0 50 FFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC12CCOCC2 238133058 VUTAVUHDOZHDFJ-CQSZACIVSA-N 371.355 2.935 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 12473693 HUXLAAAMFYLARN-OAHLLOKOSA-N 358.467 2.512 0 50 FFAA Cc1cc(Br)cc(C(=O)NCc2nnc(C(C)C)n2C)c1 135374521 VTZUQEMUSWMMLE-UHFFFAOYSA-N 351.248 2.939 0 50 FFAA Cc1nccc(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)n1 363405276 FGYNHLBBZDJGRN-INIZCTEOSA-N 352.482 2.744 0 50 FFAA CO[C@H]1CCCC[C@@H]1NC(=O)NCc1ccnc(OCC(F)(F)F)c1 266451942 CKTCLKOQAWMSGC-STQMWFEESA-N 361.364 2.780 0 50 FFAA Cc1ccc(N2CCN(Cc3nnc([C@@H]4CCCOC4)o3)CC2)cc1C 818691582 FSBFZCUAYWSDPA-QGZVFWFLSA-N 356.470 2.903 0 50 FFAA Cc1cc([C@H](N)CC(=O)NC[C@@H](O)c2ccccc2Cl)cc(Cl)n1 830263229 DRJCVCYLWQPAJX-HUUCEWRRSA-N 368.264 2.937 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@H]2c2nccn2-c2cccc(F)c2)CC1 952892981 QIUMNECGYSCHJQ-OAHLLOKOSA-N 371.412 2.874 0 50 FFAA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1c2ccccc2nn1C 1875262079 BNIMKXYOUUFHQE-CYBMUJFWSA-N 361.405 2.984 0 50 FFAA COC1CC(N(C)S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 1875259992 RAGUVXXUHAZGEQ-UHFFFAOYSA-N 373.434 2.688 0 50 FFAA C[S@@](=O)(=NC(=O)c1nnn2ccccc12)c1cccc2cccnc12 1875332354 PLZONRHMKRPRAY-VWLOTQADSA-N 351.391 2.575 0 50 FFAA O=C(Nc1cnc2c(F)cccc2c1)C(=O)N[C@H](c1ccncc1)C1CC1 1875300240 TUCPNCBSWCUAFK-KRWDZBQOSA-N 364.380 2.975 0 50 FFAA O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cnc2sccn12 1875336991 MUXBWBNKMOOVET-LLVKDONJSA-N 362.405 2.930 0 50 FFAA CC(C)c1c[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@H]2CC23CCC3)[C@@H](C)C1 1875344649 OEUURWBNCREZJQ-IMJJTQAJSA-N 358.486 2.690 0 50 FFAA Cn1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc(O)c3ccccc23)cn1 882681318 OTCKEHISWHPOFA-LQDVMPOASA-N 363.421 2.620 0 50 FFAA C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886096359 CELHQHGBENBXCC-CXAGYDPISA-N 357.458 2.618 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 886088671 HVFLMKXKIMFFFQ-YIYPIFLZSA-N 352.316 2.562 0 50 FFAA O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nn(CC2CC2)c2ccccc12 2100534657 RYLDYJDJNWNALU-UHFFFAOYSA-N 373.420 2.603 0 50 FFAA O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cnc2sccn12 2325769899 OGRYYFKPARSVBT-UHFFFAOYSA-N 356.451 2.605 0 50 FFAA COC(=O)C1CCCC(NC(=O)c2cc3c(s2)CCNC3)CCC1 2325789181 BBWKPIKMFRHHPJ-UHFFFAOYSA-N 350.484 2.636 0 50 FFAA O=C1CC[C@H](CNC[C@H](c2ccc(F)cc2Cl)C(F)(F)F)C(=O)N1 2325802057 DYCKHMAZEXFHAV-LDYMZIIASA-N 366.742 2.767 0 50 FFAA CC(C)CC(=O)N(C)CCCN(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867053 JBQUSFOVYOHMAA-AYHJJNSGSA-N 351.535 2.602 0 50 FFAA O=C1C[C@H](C(=O)NCC2CCN(CC3CCC3)CC2)c2ccccc2N1 2325867866 HXPPQKIIJCEUIF-SFHVURJKSA-N 355.482 2.741 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N[C@@H](C)CC(C)(C)O)C1 458396168 LUXFNAUPDCCQQU-HOCLYGCPSA-N 351.466 2.952 0 50 FFAA COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2OC)cc1 2068361 MMSWSOBYICQCNQ-UHFFFAOYSA-N 371.389 2.849 0 50 FFAA biogenic Cc1ccc(OCC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1 2356144332 SDDOZETXQQQFOQ-NRFANRHFSA-N 351.450 2.979 0 50 FFAA O=C(c1cscn1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356149214 PJTCNSBEVZETTE-FQEVSTJZSA-N 369.490 2.983 0 50 FFAA O=C(COc1ccccc1Cl)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356152713 XPLVRTCJBHKANV-LJQANCHMSA-N 362.857 2.865 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1)N1CCCCC1 6702803 XDINYLPRHSTTFY-UHFFFAOYSA-N 374.466 2.578 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@@H](C(=O)O)C1 6731453 YVSBYFWGAAAUSZ-UXHICEINSA-N 370.493 2.821 0 50 FFAA CCOCCCN1CC[C@H](N2C(=O)CN(Cc3ccccc3)C2=O)[C@H](C)C1 225456971 ZHBJIYXTOGBAOQ-MJGOQNOKSA-N 373.497 2.588 0 50 FFAA O=c1[nH]nc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)c2ccccc12 225557553 QXMLSHRQUBBNKE-UHFFFAOYSA-N 358.317 2.690 0 50 FFAA Cc1[nH]cnc1CN1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 23231644 SOQQYIJSNWMCNH-SFHVURJKSA-N 350.470 2.813 0 50 FFAA O=C(CCC(=O)NC1CCCC1)NCCOc1cccc2cccnc12 55225740 AQEMNBCXLNPLQJ-UHFFFAOYSA-N 355.438 2.569 0 50 FFAA CCOC(=O)c1cn([C@H]2COC[C@@H]2OCC)cc(Oc2ccccc2)c1=O 55154347 VUCSBAYLFVGCOK-WMZOPIPTSA-N 373.405 2.794 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CC1=CSC2=NCCCN12 102391812 YJSOFWPNVXINLG-UHFFFAOYSA-N 367.478 2.871 0 50 FFAA Cc1nc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)c2ccccn12 65381588 HHKMDNOAZKDHLI-OAHLLOKOSA-N 358.405 2.757 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C)c1 248004441 UZHGBZCWIVBBQN-LGEZUQEUSA-N 370.449 2.985 0 50 FFAA COCCCNC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 20543405 ZHTNPYIHMZSJHV-UHFFFAOYSA-N 359.392 2.569 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(OC)nc3OC)nc2)C1 67725959 LVNGHUMUGMIUFM-CQSZACIVSA-N 371.437 2.659 0 50 FFAA COc1ccc([C@@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c(O)c1 65385076 HVZRZBMURIBGGN-ZDUSSCGKSA-N 359.451 2.609 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nnc(C3CCC3)n2C)n1C 328628077 GXYJDWVWLBTLOH-INIZCTEOSA-N 370.501 2.508 0 50 FFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 252488095 IJLMBYANIHFNPS-LLVKDONJSA-N 365.377 2.529 0 50 FFAA C[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1ccc(Cl)cn1 120156828 TVVQDWZNMZLTIU-NSHDSACASA-N 360.863 2.668 0 50 FFAA CC(C)C[C@@H](NS(=O)(=O)c1cccs1)c1nnc2ccccn12 36360495 YPTYYJVOSXZDHD-GFCCVEGCSA-N 350.469 2.857 0 50 FFAA COc1ccc(C(=O)NCC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1OC 230133914 GAWMRTVQJNHOTN-IIAWOOMASA-N 360.454 2.613 0 50 FFAA COc1ccc(CN(C)S(=O)(=O)NCc2ccccc2)c2cccnc12 71745985 TUFMPKXVVREGBO-UHFFFAOYSA-N 371.462 2.710 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@H](NC(C)=O)C3)c(C)o2)c(C)c1C 71638916 XSPMMGZLYAVYSS-INIZCTEOSA-N 357.454 2.986 0 50 FFAA Cc1nccn1[C@H](C)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72427815 INUVUGGHXYCQCD-OQNUJHGRSA-N 356.514 2.866 0 50 FFAA COc1cccc(-c2cc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)n[nH]2)c1 6394493 UETCQSIKVZFGKI-OAHLLOKOSA-N 368.315 2.558 0 50 FFAA Cc1c(C(=O)NCc2ccc(-n3ccnc3)nc2)cnn1Cc1ccccc1 363092934 QQGIYMMLAXKICR-UHFFFAOYSA-N 372.432 2.751 0 50 FFAA COCCc1nc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2o1 12578894 LEFPEFQVBKUYEB-QGZVFWFLSA-N 354.406 2.822 0 50 FFAA O=S(=O)(Nc1cc(-c2nc[nH]n2)ccc1F)c1ccc2c(c1)CCCO2 436474220 DFMOWAFWLRLSPT-UHFFFAOYSA-N 374.397 2.737 0 50 FFAA Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)c(F)cc1F 153495764 OTEFSNHFDVAZSX-UHFFFAOYSA-N 367.377 2.596 0 50 FFAA Cc1cc(N(C)C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)ccn1 330926339 WUJPPTJPFJBSMT-UHFFFAOYSA-N 361.467 2.534 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)Cn3ccc(C)n3)CC2)OC1=O 77380007 KBJQTACGGKMVQD-UHFFFAOYSA-N 362.474 2.585 0 50 FFAA CCOC[C@H]1CCCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C1 331185367 IYOXGFKWWCGXFP-GTPINHCMSA-N 352.519 2.983 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCC4(CCCC4)C3)ccc21 77376800 GDPJGBKDAIVWHE-UHFFFAOYSA-N 357.454 2.772 0 50 FFAA COc1cccc(CN2CC3(CCN(C(=O)C4(C)CC4)CC3)CC2=O)c1 77323495 WYSIYQQKYJXEGE-UHFFFAOYSA-N 356.466 2.836 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)c1C 72164282 DANUJNLNCSOXIW-GOSISDBHSA-N 366.461 2.925 0 50 FFAA C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 128402887 APUXTMVCVQHMOQ-KYJSFNMBSA-N 350.434 2.594 0 50 FFAA Cc1ncnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1C 72425932 AVCSGDSKXWHANI-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA COc1cccc(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 223856076 CTYUDMAIUNIUSA-UXHICEINSA-N 355.434 2.728 0 50 FFAA Cc1cc([C@@H]2CCCN(C(=O)Nc3cc([C@H]4CCCO4)nn3C)C2)[nH]n1 283588953 LOGACGSQYPHKJU-CZUORRHYSA-N 358.446 2.715 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1 426386497 XUIMJHLGRSXZEN-CQSZACIVSA-N 362.437 2.833 0 50 FFAA Cc1ccc(=O)n(CC(=O)N2CCC(Sc3ccccc3C)CC2)n1 82120517 AFYBZNARXROFAW-UHFFFAOYSA-N 357.479 2.643 0 50 FFAA Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1cnc2c(c1)c(C)nn2C 175039352 ZLSSHEBYZYPHQM-LBPRGKRZSA-N 372.450 2.561 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1noc([C@H]2CCCO2)n1 220201222 WJSUCHDZMNZWQF-OAHLLOKOSA-N 368.393 2.743 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC([C@@H]4C[C@@H](N)CCO4)CC3)ccc2n1 333292307 OUZHMQHYMHTXJS-ICSRJNTNSA-N 353.466 2.902 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc(Cl)c1 239309514 HQEBYMHZTNXSOO-WKLICJCCSA-N 370.836 2.722 0 50 FFAA Cc1cccc(SC2CCN(C(=O)N[C@@H](C)Cn3cncn3)CC2)c1 426371981 HLZFGAOBQOOAFF-HNNXBMFYSA-N 359.499 2.941 0 50 FFAA CC(C)Oc1ccccc1[C@H](C(=O)O)N1CCN(c2ccccn2)CC1 95379988 DHQWWAJXVIJZTR-LJQANCHMSA-N 355.438 2.817 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1 91461238 XIPFEMXHMMLOSO-SFHVURJKSA-N 368.481 2.632 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)c2ccsc2)C1)c1n[nH]c2ccccc12 95505184 QHSQBULSRXTKOE-CYBMUJFWSA-N 368.462 2.907 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1c(OC)ccc(F)c1F)C2 91943345 VQADSBNOUUEYBM-LLVKDONJSA-N 363.360 2.963 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCC(N2CCSCC2)CC1 95370750 HVFFOIKAMRJCBI-HNNXBMFYSA-N 350.532 2.607 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 95388265 UNHPELPFJRAAKD-QGZVFWFLSA-N 352.438 2.879 0 50 FFAA CO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccccc1CN(C)C1CCCCC1 96160481 ANXVCNHSAXLJKN-PMACEKPBSA-N 374.529 2.902 0 50 FFAA CN(C)c1nccnc1N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91690236 BQOQAHSCRUUDPB-QGZVFWFLSA-N 363.469 2.566 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91452339 XMKYTFPLMZMURM-GOSISDBHSA-N 370.453 2.558 0 50 FFAA CCn1ccnc1C1CCN(C(=O)[C@@H]2COc3c(cccc3OC)C2)CC1 91858545 NBRBEVMDBGDRBD-KRWDZBQOSA-N 369.465 2.869 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)Nc2cc(-c3ccccn3)nn2C)n1 97757816 MIDDCRCPFPSXLV-GFCCVEGCSA-N 369.429 2.946 0 50 FFAA Cc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91943678 XDQAYQUPMBOMSI-QFBILLFUSA-N 355.482 2.928 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cn1 95372499 NITBVJGHKPGEQF-HNNXBMFYSA-N 354.410 2.626 0 50 FFAA COCCN1CCC[C@]2(CCN(c3ccc4cccc(OC)c4n3)C2)C1=O 95370044 RZBITKXCEBCKPC-OAQYLSRUSA-N 369.465 2.709 0 50 FFAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(C(=O)CCC2CCCC2)C1 91745969 IGISEMCCVKSYND-KRWDZBQOSA-N 370.501 2.736 0 50 FFAA Cc1cc2cc(NC(=O)NCC[C@H]3CCC(=O)N3CCN(C)C)ccc2o1 96166705 DTPJKEKDEROVAU-QGZVFWFLSA-N 372.469 2.805 0 50 FFAA Cc1cc(C(=O)NC[C@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)[nH]c1C 95362988 JLEMRCOMIJTVCG-ZDUSSCGKSA-N 362.813 2.633 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1 95392245 XDFZZVWPCHIGFB-AWEZNQCLSA-N 360.483 2.614 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nccn1C 95501432 JBYWDNYKKXUGFG-SFHVURJKSA-N 372.488 2.976 0 50 FFAA COc1ccc([C@@H]2CN(Cc3cncn3CC(C)C)C[C@H]2NC(C)=O)cc1 91325738 PRHKDUJVTSFDJB-LEWJYISDSA-N 370.497 2.652 0 50 FFAA CCn1ccc2cc(C(=O)N[C@@H](C3CCNCC3)[C@H]3C[C@H](O)C3)ccc21 244873097 WJZLFVIRTJPDCH-BJLQDIEVSA-N 355.482 2.530 0 50 FFAA Cn1cnc(-c2ccc(C(=O)N3CCO[C@@](C)(c4ccccc4)C3)cc2)n1 184190582 IIGJCTXFKLOLKS-OAQYLSRUSA-N 362.433 2.870 0 50 FFAA COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccccc4)ccn3n2)cc1 263615121 APYVYSNNYYFZQV-FQEVSTJZSA-N 361.401 2.905 0 50 FFAA CC(C)Cc1cc(CNC(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)on1 534580372 CWSLLNBBHAAPLP-UHFFFAOYSA-N 351.410 2.673 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)cc2)no1 299794929 LSIFSWAPEXLNJO-MRXNPFEDSA-N 369.421 2.927 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c1 299762377 USQGHLUUBJOTQR-QFIPXVFZSA-N 366.509 2.542 0 50 FFAA CCc1nc(CNC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cs1 823577396 PXMIJPHGMQALFJ-UHFFFAOYSA-N 372.446 2.988 0 50 FFAA CN(CC(=O)N(Cc1ccncc1)Cc1ccco1)Cc1cccnc1 823675057 XXMNRBKIHUTTBK-UHFFFAOYSA-N 350.422 2.730 0 50 FFAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NC1(C(=O)O)CCOCC1 952964721 PGJLVKJFYYUBTH-INIZCTEOSA-N 357.406 2.746 0 50 FFAA Cn1cnc2cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)ccc21 270839305 HRWZTGMDXUOXKN-AWEZNQCLSA-N 350.426 2.589 0 50 FFAA CC1(C)CN(C(=O)Cc2ccnc(O)c2Br)CC(C)(C)O1 278357555 PMJVMWCNAVMATI-UHFFFAOYSA-N 357.248 2.508 0 50 FFAA CC(C)c1c(N[C@@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1ccccc1 192761872 YJXZBUJHAWGQAQ-QGZVFWFLSA-N 364.453 2.947 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)N1CCCN(c2nccc3ccccc23)CC1 1772812088 AHTQBLBKDATRSD-KRWDZBQOSA-N 363.465 2.806 0 50 FFAA OC[C@@H](O)C1CCN(Cc2cnc(-c3cccc4ccccc34)nc2)CC1 1772711352 YAGBPJCNDDQFCL-OAQYLSRUSA-N 363.461 2.862 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1C(F)(F)F 5077570 WKFAEULTCFCEEJ-UHFFFAOYSA-N 358.341 2.914 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(C)[nH]n2)C1 11663915 SUXQCYIVOVYBTI-FQEVSTJZSA-N 373.428 2.885 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cn(CCc2ccccc2)nn1 14951883 GMUBNYCJLAJYRO-HXUWFJFHSA-N 364.449 2.717 0 50 FFAA CN1CCN(c2ncccc2CNc2ncccc2C(F)(F)F)CC1 14970512 CDSCGAWEXGDRTA-UHFFFAOYSA-N 351.376 2.859 0 50 FFAA CC[C@@H]1CCCCN1c1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1 16647752 PRNSYYDUQRPVSI-OAHLLOKOSA-N 360.483 2.868 0 50 FFAA Cc1sc2ccccc2c1CN1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 19300779 MYNOOZGXJBMUHJ-RTBURBONSA-N 360.523 2.602 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)s4)CC3)nn2)n1 169777337 SAXWNDDEQJJYBG-UHFFFAOYSA-N 372.454 2.738 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1ccc(OC)c(OC)c1Cl)C2 1857675769 FCIRLCHKYRGDSW-QGZVFWFLSA-N 354.834 2.774 0 50 FFAA COc1ccc(CN(C)[C@@H]2CCOC3(CCNCC3)C2)c2cccnc12 1857678521 MFEMQOFUYKIZRO-QGZVFWFLSA-N 355.482 2.976 0 50 FFAA Cc1cccc(-n2nc(-c3cccc(F)c3)nc2[C@H]2CC[C@@H](O)[C@H](N)C2)n1 1857735698 HAYWSCRDHFIWDV-USXIJHARSA-N 367.428 2.733 0 50 FFAA CNC(=O)c1ccc(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)o1 1875240982 MLMMJAFELHMCTG-UHFFFAOYSA-N 364.449 2.641 0 50 FFAA CCCOc1c(Cl)cc(C(=O)N2CC[C@](C)(C(N)=O)C2)cc1OCC 225446245 HREOKRIQPWFSJC-SFHVURJKSA-N 368.861 2.865 0 50 FFAA O=C(NCc1ncccn1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 772700502 XMASWHROKIDHTB-GOSISDBHSA-N 359.385 2.861 0 50 FFAA Cc1cc(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)no1 864097614 ZCGJJKUGFYJYNG-LBPRGKRZSA-N 369.874 2.677 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)COc2ccc(C)c(C)c2)C3)o1 952851517 MHFWXAPZPNXVHK-JXFKEZNVSA-N 355.438 2.954 0 50 FFAA O=C(N[C@@H](c1ccc(F)cc1)c1ccccn1)NC12CC(C(=O)O)(C1)C2 1875276817 FVJXTGSXAOMUJK-MNNVXMFVSA-N 355.369 2.617 0 50 FFAA CN1CCN(Cc2nc(C(=O)NCCCCCC3CC3)cs2)CC1 1875356105 FSTBPCYYZFSQFV-UHFFFAOYSA-N 350.532 2.591 0 50 FFAA COc1ccc(Cl)c(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)n1 1875317957 HPNWSTDMXDUBDQ-SNVBAGLBSA-N 354.740 2.755 0 50 FFAA C=CC(=O)NC1(CNC(=O)c2cc3cnn(C)c3s2)CCCCCC1 1875385859 DDRSBWUGEUELSH-UHFFFAOYSA-N 360.483 2.760 0 50 FFAA CN(C)C/C=C/C(=O)N[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875376543 AMUYIJYZKWKZEL-UTDDRVLSSA-N 365.518 2.694 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(C(C)C)cc1O2 1875394274 BWVSSBHAXOQHFM-OAHLLOKOSA-N 358.442 2.591 0 50 FFAA c1ccc(Cc2nnc3n2C[C@H](N[C@@H]2CCOC4(CCC4)C2)CC3)cc1 888102504 BUAYOYJIOMJYJN-QZTJIDSGSA-N 352.482 2.875 0 50 FFAA COCCn1cc(NC(=O)NC(C)(C)COCc2ccccc2)ccc1=O 1321202637 BUISTOMAHZEGLY-UHFFFAOYSA-N 373.453 2.612 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccccc1Cl 20051472 NDGWMQHHAZCRLM-MRXNPFEDSA-N 363.845 2.607 0 50 FFAA COc1cc2c(cc1OC)CN(C[C@H](O)COc1ccccc1OC)CC2 8844739 APGCYLRWPDLFKS-KRWDZBQOSA-N 373.449 2.510 0 50 FFAA COC(=O)C1CCCC(NC(=O)c2ccc3c(c2)CCNCC3)CCC1 2325789391 MQSYIQHAKVGDCX-UHFFFAOYSA-N 358.482 2.617 0 50 FFAA C[C@@H]1[C@H](NC(=O)[C@H]2CC23CCC3)CCN1C(=O)c1cnn(C2CCC2)c1 2325839552 XETFSIDXLJASIC-KBRIMQKVSA-N 356.470 2.518 0 50 FFAA Cn1nnc2c(CNCCN3CCc4c(Cl)cccc4C3)cccc21 2325858205 DDRIMYUYWRKEQD-UHFFFAOYSA-N 355.873 2.770 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 2325889967 JTMLRKQRHVYWDV-HNNXBMFYSA-N 354.410 2.547 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356152731 YHLSPBJUFLATBC-OAQYLSRUSA-N 366.465 2.700 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](OC)c2ccccc2)c1 2851220 JZVRSPPFFAEOKC-MRXNPFEDSA-N 357.362 2.586 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 2873690 CCSMEARPLCFSMN-AWEZNQCLSA-N 374.462 2.991 0 50 FFAA Cc1sc(NC(=O)[C@H]2CCCO2)c(C(=O)NCc2cccnc2)c1C 4749932 VTDDNLUBXGXEOC-CQSZACIVSA-N 359.451 2.807 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 21793617 NFAPYODAUJBQNY-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CCN(CCNS(=O)(=O)c1ccc(OC(C)C)c(C)c1)CC(F)F 225656864 VXQWFZDBLDEJFG-UHFFFAOYSA-N 364.458 2.648 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C 248026071 NSQYFGBSTQTYQQ-RIFZZMRRSA-N 354.450 2.504 0 50 FFAA Cc1cnccc1N1CCCN(Cc2ccc(O[C@H](C)C(=O)O)cc2)CC1 107108505 SORKNUWCAKBBEH-QGZVFWFLSA-N 369.465 2.954 0 50 FFAA COc1ccccc1N1C[C@@H](c2nc(-c3cnn(C)c3)c(C)[nH]2)CC1=O 23337279 CLHZHQGSVADVQV-ZDUSSCGKSA-N 351.410 2.648 0 50 FFAA CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccc(SC)cc1)C1CC1 55227649 HHSGJECBYRVULO-UHFFFAOYSA-N 361.467 2.766 0 50 FFAA C[C@H]1CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[S@@](=O)C1 459541119 YSLOWHDXFNFKCL-OYWLMSRLSA-N 368.352 2.799 0 50 FFAA CN(C(=O)c1n[nH]c(=O)c2ccccc12)[C@@H]1CCCN(c2ccccc2)C1 115458093 KBOWPMFBQTWGEO-MRXNPFEDSA-N 362.433 2.664 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1 214952746 XDWQCLDTQYFORH-QGZVFWFLSA-N 357.483 2.817 0 50 FFAA O=C1CC[C@@H](CC(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)N1 67934439 ZPIWWPBZGMZHRL-INIZCTEOSA-N 370.428 2.591 0 50 FFAA COCc1cc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)ccc1OC 65430872 WBACDZXTKMLQPY-CYBMUJFWSA-N 361.467 2.516 0 50 FFAA CN(C)[C@@H]1CCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1 20453768 BKZSUCPSZQYYLN-MRXNPFEDSA-N 365.437 2.851 0 50 FFAA O=c1cc(C2CCN(Cc3nccs3)CC2)nc(-c2ccccn2)[nH]1 67743214 MITDFANWNQOIMZ-UHFFFAOYSA-N 353.451 2.668 0 50 FFAA C[C@@H](COc1ccccc1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65526486 SPUFBNLFPBXRTC-KRWDZBQOSA-N 374.506 2.897 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC(Cc2ccccc2)=NO1 12053204 RTSICOKOQFFNET-MSOLQXFVSA-N 358.438 2.708 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(Cc2ccccc2)CC1 328644096 RRLSVVZJOKTQEA-PMACEKPBSA-N 354.498 2.987 0 50 FFAA Cc1cccc(N2CC[C@@H](CNC(=O)Cn3c(=O)oc4ccccc43)C2)c1 218964694 ZHYKFILTWHQVFP-INIZCTEOSA-N 365.433 2.546 0 50 FFAA O=C(NC1CC=CC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71753080 CONUXEFMNZQQIC-LJQANCHMSA-N 368.525 2.593 0 50 FFAA Cc1nccn1CCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72453861 JWZHNFGDQCAZIP-UHFFFAOYSA-N 356.514 2.695 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3c[nH]c(C)cc3=O)C2)cc1 72478321 FNZUJHSKZQOMBJ-OAHLLOKOSA-N 356.422 2.623 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CCC[C@H]4CO)nc3)n2)cc1 39448056 NEXPJIATJMVYMU-HNNXBMFYSA-N 352.394 2.768 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)[C@@H](C)C1 72434273 BLIJKJURDQMTFU-ZDUSSCGKSA-N 352.394 2.582 0 50 FFAA Cc1cc(N2CCC(N(C)C(=O)c3cccc(C(=O)O)c3)CC2)nc(C)n1 237290298 HSLSSHWTPKIGOP-UHFFFAOYSA-N 368.437 2.533 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c(OC)c1 218938073 ANEFORVOQAPBQC-ZXNZYJFHSA-N 359.466 2.956 0 50 FFAA Cc1ccccc1-c1nc(C(=O)N(CC(=O)O)C2CCOCC2)cs1 237700895 ZMBJZEQKJPEODC-UHFFFAOYSA-N 360.435 2.824 0 50 FFAA C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C(C)(C)C)cc1 43748530 OIVSWWZEHYLAHK-CQSZACIVSA-N 366.527 2.833 0 50 FFAA CC(C)OC(=O)N1CCn2nc(CN3CCc4ccc(F)cc4C3)cc2C1 72162566 XLINNHYUDJQFBY-UHFFFAOYSA-N 372.444 2.941 0 50 FFAA O=C(c1csc2c1CCCC2)N1CCC(C(=O)O)(n2ccnc2)CC1 72476893 DOLSUJCBTDJHNS-UHFFFAOYSA-N 359.451 2.540 0 50 FFAA CCc1ccc(CC(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 72161359 MRPBKDJJIVNKMX-HXUWFJFHSA-N 368.452 2.890 0 50 FFAA Cc1cccc(C)c1OCCCN(C)c1cc(C2CC(N)C2)nc(N)n1 222697667 PTFKJCBXCBUYHJ-UHFFFAOYSA-N 355.486 2.786 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)[C@H]1c1ccccc1 40284421 ZKIPKPXGNRMWDA-KCQAQPDRSA-N 372.450 2.548 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 44309913 ZBDCCCSDCYZFIE-KRWDZBQOSA-N 364.873 2.513 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)Cc3sc(S)nc3C)CCO2)c1 130779453 REUAGXAPMOULDI-AWEZNQCLSA-N 364.492 2.891 0 50 FFAA CCc1c(C)nn(CC(=O)N2CCCN(c3ccnc(C)c3)CC2)c1C 222680275 CAEWEFNNAAKLPM-UHFFFAOYSA-N 355.486 2.505 0 50 FFAA Cc1cccc(O[C@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C(C)C)c1 223220090 VGRZAFBLWOBSIZ-IBGZPJMESA-N 369.465 2.711 0 50 FFAA CCC[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@H]1NS(C)(=O)=O 82125713 MZWAWBRAWDUEAD-ZIAGYGMSSA-N 366.508 2.691 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)NCCSc1nccn1C 426370912 FWGOPOMIXQWPSN-MRXNPFEDSA-N 373.526 2.680 0 50 FFAA COc1ccc(C(=O)N[C@H](C)c2cc(F)cc(F)c2)c(OCCN)c1 426536265 JUIAJWYMTYUDOE-LLVKDONJSA-N 350.365 2.802 0 50 FFAA CCSCCNC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1Cl 95506800 HMJFPAVNLHFIPL-UHFFFAOYSA-N 371.890 2.687 0 50 FFAA Cc1nc(CCCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 96162051 HHISRXQZGJFTBG-HNNXBMFYSA-N 358.467 2.603 0 50 FFAA Cc1nnc(SCc2nc(-c3ccncc3)nn2C2CCN(C)CC2)o1 96138283 YRNJVDNIUFVDQH-UHFFFAOYSA-N 371.470 2.591 0 50 FFAA COc1cc(OC)cc(S(=O)(=O)N[C@@H](c2ncc(C)s2)C2CC2)c1 178421059 LECVJYPETPGFSR-OAHLLOKOSA-N 368.480 2.898 0 50 FFAA CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 239125170 KAOLESZIOVMZBK-UVLCOCDESA-N 357.406 2.636 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CC4(CNC(=O)N4)C3)c3ccccc3n2)cc1 426652853 HMVRBMPYHOVDQP-UHFFFAOYSA-N 372.428 2.718 0 50 FFAA CC(C)n1nccc1NC(=O)Cn1ccc(-c2nc3ccccc3n2C)n1 20994416 PXFRACBUAJZNCO-UHFFFAOYSA-N 363.425 2.853 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)[nH]n1 91951141 LOYJMVLZLFQYAI-CQSZACIVSA-N 366.425 2.827 0 50 FFAA CC(C)C(=O)N1CCC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1 426361057 CWSGFVYYYQZWQQ-KRWDZBQOSA-N 372.513 2.865 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccc(O)cn3)C2)CCC1=O 95504915 YVGHBDYYZJIRAC-HXUWFJFHSA-N 359.470 2.678 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95358695 XBBDPEFWMJNIGG-INIZCTEOSA-N 367.478 2.732 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1 97495533 ZYSYVMNKWAHSAQ-AWEZNQCLSA-N 354.376 2.780 0 50 FFAA Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 92002145 GTBHIWKEAIQMSJ-AZUAARDMSA-N 370.472 2.844 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2cc(OC)cc3cccnc23)CC1 95523020 DFOFCRWYISUQJO-UHFFFAOYSA-N 358.398 2.549 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCN(c2nccs2)CC1 92097193 PQYJYJQUGQCVDK-UHFFFAOYSA-N 358.442 2.963 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)COc3cccnc3)C2)cc1 244872951 WHKABKNWKUWALU-MRXNPFEDSA-N 356.422 2.787 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N[C@H](c1nccn1C)C1CC1 244866330 VUDJMYCBCFSSHD-SFHVURJKSA-N 365.437 2.572 0 50 FFAA CCc1nnc(NC(=O)CCN(C)C[C@@H]2CCN(c3ccccc3)C2)s1 244884062 YELRDTDPEHQFRV-HNNXBMFYSA-N 373.526 2.887 0 50 FFAA COc1cncc([C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]2C[C@@H](O)C2)c1 252536489 IRSFDHZDPZZQDQ-CRFBAAHOSA-N 360.841 2.915 0 50 FFAA COC(=O)c1cn(-c2ccc(Oc3ccccc3)nc2)cc2c(=O)[nH]nc1-2 253407041 JMHCRSDYTJGMLI-UHFFFAOYSA-N 362.345 2.639 0 50 FFAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 184131189 DXYVJWOROKYBGA-NSHDSACASA-N 367.375 2.981 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 299740536 BKTNEIJLQFMLAD-AWEZNQCLSA-N 369.421 2.520 0 50 FFAA Cn1cnc2cc(C(=O)N3CCC[C@H](Nc4ccc(F)c(F)c4)C3)cnc21 72146374 AALXQNBQDRRPBA-AWEZNQCLSA-N 371.391 2.963 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCc3nc(C(C)(C)C)no3)nc2c1 299770938 SECIGYKHROHVAR-UHFFFAOYSA-N 359.455 2.960 0 50 FFAA COc1cccc2c1NC(=O)C[C@H]2C(=O)Nc1nc(C)c2cc(C)oc2n1 1940195636 UBADOLMMXOBMOU-CYBMUJFWSA-N 366.377 2.913 0 50 FFAA C[C@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccncc2)C1 822355269 YGIQOWHFFXBHLD-MBNYWOFBSA-N 353.426 2.534 0 50 FFAA Cc1nc(C2CCN(C(=O)NCCc3nc4ccccc4s3)CC2)n[nH]1 584890351 BTFNLZJEYPMBGC-UHFFFAOYSA-N 370.482 2.855 0 50 FFAA CNC(=O)C1(NC(=O)NCc2cc(-c3ccc(C)cc3)on2)CCCCC1 584891370 NZVFOIDMCMSCOH-UHFFFAOYSA-N 370.453 2.898 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(-c2cc[nH]n2)cc1 670461079 UBWOFSZGMYDJMF-MRXNPFEDSA-N 364.405 2.704 0 50 FFAA O=C(CCc1cccnc1)NCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 952980026 FAABZPQRUKTAHD-LJQANCHMSA-N 355.482 2.725 0 50 FFAA Cc1ccccc1-c1cc(NC(=O)c2cccc(-n3cncn3)n2)n(C)n1 1457345196 IOBRSYYYNYYOMB-UHFFFAOYSA-N 359.393 2.624 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3noc(-c4ccccc4)n3)C2)N1CC1CCC1 1565510252 YUGGCYZDCBUIFW-SJORKVTESA-N 352.438 2.964 0 50 FFAA O=C(NCc1ccc(Cl)cc1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565515014 IGPQFGFDHICDLX-HOTGVXAUSA-N 361.829 2.771 0 50 FFAA CCC(=O)N1CCC[C@H](C(=O)NC(C)(C)c2nc3ccccc3n2C)C1 186774653 FIUOGYWAWZBPFU-AWEZNQCLSA-N 356.470 2.573 0 50 FFAA Cc1oc2ccccc2c1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 275655403 URHWZTCQOVRVKA-OAHLLOKOSA-N 352.438 2.594 0 50 FFAA Cc1nc(C)n(Cc2cccc(NC(=O)CC3(C(=O)O)CCCC3)c2)n1 170021885 IYYGXGWPEBBJQK-UHFFFAOYSA-N 356.426 2.917 0 50 FFAA CC(C)n1cc(Br)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 188557388 AYHNLBZOTFOTPC-UHFFFAOYSA-N 368.275 2.572 0 50 FFAA CCOc1cc(NC2CCN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CC2)ncn1 189157528 SDKGOGKNLROJPS-JKSUJKDBSA-N 374.485 2.530 0 50 FFAA Cc1cccn2cc(CNS(=O)(=O)c3cccc4c3OC(C)(C)C4)nc12 192647224 MEHXRSMMGTYSLN-UHFFFAOYSA-N 371.462 2.835 0 50 FFAA Cc1ccc(F)cc1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209818895 PYDIHKHSPIMPCR-WBVHZDCISA-N 357.381 2.853 0 50 FFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)c1cccc(-n2cnnc2)n1 1529171897 FRXKPCPJCTVTME-AWEZNQCLSA-N 359.393 2.720 0 50 FFAA CO[C@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@H]1Cc1cc(C)no1 1529144218 UDUAIOZEKIMJII-QAPCUYQASA-N 354.410 2.723 0 50 FFAA Cc1c[nH]c(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c(C)c1=O 1704343737 YJLREEIQPWKDBN-UTKZUKDTSA-N 363.461 2.575 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cc2c1 1704351165 OIGRDKXIQWRWKW-UZLBHIALSA-N 364.449 2.559 0 50 FFAA CCCN1C[C@H]2CN(CC3COCCOC3)C[C@]2(CCc2ccccc2)C1 1772807681 RONRACIMOHEXOZ-GOTSBHOMSA-N 372.553 2.926 0 50 FFAA COc1cccc(CC(=O)NC[C@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11881847 AZPJQJOMFQJLSB-LJQANCHMSA-N 356.397 2.881 0 50 FFAA COc1ccc(-c2n[nH]cc2CN(C[C@@H]2CCC(=O)N2)C(C)C)c(F)c1 12434187 IMAVLOIUNFXFSE-AWEZNQCLSA-N 360.433 2.713 0 50 FFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)CSC)C2)c1 12757818 RLXCPEHYLPTIRM-OAHLLOKOSA-N 364.511 2.693 0 50 FFAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2c[nH]nc2C)CC1 15074614 XZXOZTMOIBSGRA-UHFFFAOYSA-N 370.497 2.753 0 50 FFAA CC1=NS(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2N1CC(C)C 15867723 JDHZMRYKUSOIST-UHFFFAOYSA-N 363.483 2.896 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO 19839189 SPWCWRDODUGSRS-IBGZPJMESA-N 374.504 2.926 0 50 FFAA Cc1ccc(C=CCC(=O)N2CCCC[C@H]2c2n[nH]cc2C(N)=O)cc1 1857529822 GRYIRZBDPDXYIR-KRWDZBQOSA-N 352.438 2.974 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccc(F)cn3)[C@@H](C)C1)OCO2 1857670398 LZJJPTKUPVAHSU-ZDUSSCGKSA-N 359.401 2.669 0 50 FFAA CC(C)Cc1nc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)no1 1857672111 KEDVVJNMHRQREP-HZPDHXFCSA-N 351.491 2.799 0 50 FFAA O[C@@]1(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CCCNC1 1857675122 LJPQOWNGJFAGGM-SFHVURJKSA-N 358.442 2.927 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c2ccc(F)cc2n1 1857690203 WHPFDQLMJHYQNO-INIZCTEOSA-N 372.396 2.636 0 50 FFAA O=C(CCc1cccnc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857717560 YQSZNEXMZXSMCS-HKUYNNGSSA-N 360.841 2.629 0 50 FFAA COc1cccc(N2CCN(c3ccc4nnc(C(C)(C)C)n4n3)CC2)c1 302273965 HNVAPAANEOIINM-UHFFFAOYSA-N 366.469 2.757 0 50 FFAA O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccc(COCC(F)(F)F)cc1 225571686 TUSZUSJKHAGBGA-HNNXBMFYSA-N 372.387 2.831 0 50 FFAA N[C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 333313664 SHSGPIJVEKBINZ-WBVHZDCISA-N 354.853 2.767 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1ccccc1 247793541 BMBBSRMUSUODMD-MOPGFXCFSA-N 363.461 2.777 0 50 FFAA COc1ccc2c(c1)nc([S@](=O)Cc1ncc(C)c(OC)c1C)n2C 33835490 RUGQJBJNYIHOIW-VWLOTQADSA-N 359.451 2.910 0 50 FFAA in-vitro CO[C@H]1C[C@@H](CNc2nc3c(F)cccc3o2)N(c2cc(C)ncn2)C1 952889634 CYQWWMUJHAFWAB-STQMWFEESA-N 357.389 2.771 0 50 FFAA COc1ccccc1-c1cccc(NC(=O)N2CC[C@@H](NCCO)C2)c1 1875283101 GEUAKUSEOHYOFV-QGZVFWFLSA-N 355.438 2.550 0 50 FFAA C=CC(=O)N(CCc1ccccc1F)C[C@@H]1CCO[C@H]1c1cnn(C)c1 1875386037 HTFKZCRYPNFREG-OXJNMPFZSA-N 357.429 2.894 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(C(=O)Nc3ccccc3)cc2)cn1 1875384839 JFOYAJZJIXDODO-CLOONOSVSA-N 362.433 2.936 0 50 FFAA CCN(CCOc1ccccc1OC)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875395252 TUAOAROKGUXVPB-UONOGXRCSA-N 373.453 2.982 0 50 FFAA CC1(C)C[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CCS1 888811527 PPBALTZCQNSOCJ-HUUCEWRRSA-N 364.536 2.992 0 50 FFAA Oc1nc2cc(Br)cc(-c3nc([C@@H]4CCCO4)no3)c2[nH]1 896122810 QGTWQAOIISFGIX-VIFPVBQESA-N 351.160 2.933 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCCCS3(=O)=O)cc2)c1C 2325780171 LZEHTYZMZUKCEN-QGZVFWFLSA-N 361.467 2.785 0 50 FFAA Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21 2325872693 JUDIGWCSUCRCTM-UHFFFAOYSA-N 356.762 2.725 0 50 FFAA O=S(=O)(NCc1ccccc1)c1ccc(-c2cnc3cnccn23)cc1 2356153152 UQNMLSOAEXTUAY-UHFFFAOYSA-N 364.430 2.875 0 50 FFAA O=C(COc1ccccc1-c1ocnc1CC1CC1)NC[C@H]1CCCO1 2356156481 DHYJZPDSWQYPKV-OAHLLOKOSA-N 356.422 2.968 0 50 FFAA CCc1ccc(-n2nnnc2SCC(=O)Nc2cccc(OC)c2)cc1 2883352 FVMJLAVCBDEZBH-UHFFFAOYSA-N 369.450 2.964 0 50 FFAA Cc1nnc(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1 53451900 RUQVUVCOFDTZHB-ZDUSSCGKSA-N 353.444 2.678 0 50 FFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)C12CCCCC2 20737229 LTDOCTYQQCVCKP-SFHVURJKSA-N 356.466 2.854 0 50 FFAA Cc1ccc(C(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c(C)c1 67602199 GQPOQOYBPRHWOQ-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA FC(F)(F)CN1CCOC[C@@H]1c1nc(-c2n[nH]c3ccccc23)no1 351225202 YSUWGZMEJKBQKA-LLVKDONJSA-N 353.304 2.549 0 50 FFAA CCN(Cc1ccccc1C)C(=O)c1cc(CN2CCC(O)CC2)on1 67641827 QVHZDBWLKRZDDD-UHFFFAOYSA-N 357.454 2.602 0 50 FFAA Cc1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)n(Cc2ccccc2)n1 170719224 MEJWYAURZOCIES-GOSISDBHSA-N 353.470 2.942 0 50 FFAA OCCOc1ccccc1CN1CCCN(C2Cc3ccccc3C2)CC1 77342713 FXMWMLPDBCVYDH-UHFFFAOYSA-N 366.505 2.733 0 50 FFAA COC[C@@H](C)n1c(CCCC(=O)N2CCOC(C)(C)C2)nc2cccnc21 77408401 REMFDUYSUDZKSI-OAHLLOKOSA-N 374.485 2.599 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1Cc1cnc(NCc2ccccc2)nc1 77340324 KHVDELRWKJPCRG-HXUWFJFHSA-N 367.497 2.969 0 50 FFAA CCn1c(-c2ccccc2)nn(CC(=O)N[C@@H](C)C2=CCCCC2)c1=O 77438112 FMOBIQICTOSWHU-HNNXBMFYSA-N 354.454 2.737 0 50 FFAA COc1ccc(NC(=O)c2cnc(C3OCCO3)s2)c2cccnc12 253630094 AZIKJVQHFZPJOK-UHFFFAOYSA-N 357.391 2.998 0 50 FFAA CCc1noc(C)c1CN1CCC[C@@H](N(Cc2cncnc2)C(C)=O)CC1 328642077 QUVYKSXPRNKGLT-GOSISDBHSA-N 371.485 2.739 0 50 FFAA O=c1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)[nH]c2ccnn12 363532314 ISFSVVFVKARFKL-LBPRGKRZSA-N 367.384 2.683 0 50 FFAA COc1cccc2ccc(-c3nccn3CC3(CO)CCOCC3)nc12 72434405 XDQIVYCTAIWNFH-UHFFFAOYSA-N 353.422 2.896 0 50 FFAA O=C(O)[C@H]1C[C@H](C(=O)NC2CC2)CN(Cc2ccccc2-c2ccco2)C1 71388616 CRENRKUWFVMZAC-HOTGVXAUSA-N 368.433 2.748 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COCCN1C1CCCC1 329037996 ZKRIFULECBVFKG-JKBKZWBZSA-N 364.530 2.562 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc1 123558729 JPFSWMNLBQUKHG-INIZCTEOSA-N 354.406 2.904 0 50 FFAA COc1cc2c(c(OC)c1OC)[C@H](c1ccc(C(=O)O)cc1)CC(=O)O2 217992814 DUEXSCANESGBAU-LBPRGKRZSA-N 358.346 2.852 0 50 FFAA biogenic O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCN(Cc2cccc(F)c2)CC1 72420321 BRGQLQJQQCBYLY-UHFFFAOYSA-N 365.412 2.569 0 50 FFAA Cc1ccc(F)c(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)c1 72433738 JPBMSRKCQKSXKV-GOSISDBHSA-N 374.456 2.812 0 50 FFAA Cc1cc(Br)ccc1CN(C)C(=O)C(C)(C)S(C)(=O)=O 331216345 PHGGIELDUBAJLM-UHFFFAOYSA-N 362.289 2.539 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2cc(C)cnc12 157059202 GAKXPIGBTCHBJH-CQSZACIVSA-N 371.466 2.511 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1cccc([C@H]2CCCNC2)c1 216275463 VZKZRHIURUYMCN-FQEVSTJZSA-N 353.466 2.837 0 50 FFAA CCc1ocnc1C(=O)N(CC(=O)O)Cc1cccc(Br)c1 263181552 LQKMROHWLMRPIP-UHFFFAOYSA-N 367.199 2.727 0 50 FFAA Cc1ccc([C@@H]2CCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)C2)c(C)c1 332281848 JPVQZMVLNUWXNY-GCJKJVERSA-N 368.477 2.541 0 50 FFAA O=C(O)[C@H]1CC2(CCN(Cc3cccc(F)c3)CC2)CN1C(=O)C1CC1 72410880 DVQMGAGMYDPHRB-QGZVFWFLSA-N 360.429 2.503 0 50 FFAA O=C(Cc1ccsc1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 20256058 MDKQUKHQJFPILN-KRWDZBQOSA-N 356.495 2.846 0 50 FFAA O=C(NCCc1ccc(O)cc1)N1CCCN(Cc2cccc(F)c2)CC1 426535909 PVVMDMMKZBLNME-UHFFFAOYSA-N 371.456 2.991 0 50 FFAA Nc1nc(NCCc2ccccc2C(F)(F)F)cc(C2CC(N)C2)n1 223103419 BOKFQYXUKGRGHS-UHFFFAOYSA-N 351.376 2.937 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(-c2cncnc2)cc1 426503613 UUNHCKLHVRSAPJ-NRFANRHFSA-N 373.460 2.933 0 50 FFAA CCOC1CC2(CCN(C(=O)c3cccc(N4CCCNC4=O)c3)C2)C1 286718669 PJCHNGWSINZYBG-UHFFFAOYSA-N 357.454 2.638 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cn2ccccc2n1 223554636 QTRLDNKLYHGFOA-QZTJIDSGSA-N 357.454 2.523 0 50 FFAA Cc1nc(C)c(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c(=O)[nH]1 223493740 FFXZREVFZPLZNH-UHFFFAOYSA-N 372.812 2.554 0 50 FFAA C[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[S@](=O)C1 285454098 YHGGOYCCTSWVCT-SBKAZYGRSA-N 357.273 2.791 0 50 FFAA Cc1ccc(C(N)=O)cc1-c1cccc(C(=O)NCC(C)(C)N(C)C)c1 426734582 XINQQOXJANKEOG-UHFFFAOYSA-N 353.466 2.831 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nn1 48090863 HHRJYBTWCGQKMC-KRWDZBQOSA-N 370.453 2.579 0 50 FFAA COc1ccccc1N1C[C@H](C)N(C(=O)CCc2ccsc2)CC1=O 82108551 QFYVHKYUWVUPFN-AWEZNQCLSA-N 358.463 2.953 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCC(Cc2ccccc2)CC1 426420087 XRBNDLYRQFMEEL-HXUWFJFHSA-N 366.509 2.831 0 50 FFAA Cc1cccc(Cl)c1CN1CCn2nc(CNc3cnccn3)cc2C1 426658171 FFXGEIUXQWBHDK-UHFFFAOYSA-N 368.872 3.263 0 50 FFAA COc1ccc(Cn2cc(-c3cc(N4CCCC4)nc(N)n3)cn2)cc1 97547757 RBMGPMPUVYJDPS-UHFFFAOYSA-N 350.426 2.579 0 50 FFAA O=C(NCCCN1CCC(O)CC1)N1CCCC[C@@H]1c1cccc(F)c1 426726722 HALAOSXGWWFGLV-LJQANCHMSA-N 363.477 2.909 0 50 FFAA Cc1ccn(Cc2nc(CCc3ccccc3)nn2C2CCN(C)CC2)n1 91288903 UZMZLHZROIMQIY-UHFFFAOYSA-N 364.497 2.883 0 50 FFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@@H](C)c3nc(N)n[nH]3)c2c1 426494377 KLTREAASCRMXEM-LBPRGKRZSA-N 373.420 2.797 0 50 FFAA Cc1nc(C)c(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)s1 91646171 JCKCJXYWGPGKJN-UHFFFAOYSA-N 364.559 2.526 0 50 FFAA COc1cc(Cl)c(CN2C[C@H](C3CC3)[C@@H](NC(C)=O)C2)c(OC)c1 91416701 WHPZFECKDKNUNH-PBHICJAKSA-N 352.862 2.704 0 50 FFAA C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CC[C@@]1(O)C1CC1 91745257 PRQUPGAIJZNXTO-XIKOKIGWSA-N 353.846 2.786 0 50 FFAA COCc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 97766685 KOUCDRLTUKERRB-QGZVFWFLSA-N 357.429 2.762 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1c[nH]nc1-c1cccs1 96153972 LFFFJMHWNINFMS-UHFFFAOYSA-N 355.467 2.989 0 50 FFAA O=C(c1ccc2ncsc2c1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91769368 JDLKNIBRHKICEQ-DZGCQCFKSA-N 365.462 2.827 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)no1 95527979 BNRNNDAIKOYZFX-QGZVFWFLSA-N 366.421 2.872 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1C 95383118 AYSCOYGSPDETEL-QGZVFWFLSA-N 370.501 2.655 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 95370893 UJPIWLHBYWVUMZ-GOSISDBHSA-N 369.513 2.531 0 50 FFAA CCn1nc(C)c(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c1C 95389549 NRCVTRPSTUPUJW-YLJYHZDGSA-N 355.438 2.583 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1ccc(-c2cc[nH]n2)cc1 91645927 ZUBRYWJITCPJFU-UHFFFAOYSA-N 356.455 2.519 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1F)c1cnc(Nc2ccccc2)nc1 97522720 FZBQAIZSXDANOU-QGZVFWFLSA-N 352.369 2.823 0 50 FFAA O=C(O)[C@@]12CN(Cc3ccc(F)c(F)c3F)C[C@@H]1CN(C1CCCC1)C2 96165257 VCLKTXUOXRZTBT-BFUOFWGJSA-N 368.399 2.865 0 50 FFAA COc1cc2c(cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCC2 244701269 KDEOCJYPWDODET-JXXFODFXSA-N 352.434 2.821 0 50 FFAA Cn1cc([C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H]2C[C@@H](O)C2)cn1 244735138 NTKNQZHDLUGMBE-GLQYFDAESA-N 353.344 2.681 0 50 FFAA COc1cc(OC)nc(N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)n1 252536688 JDYBWLZPXHDBCH-ZYSBLVPFSA-N 351.353 2.696 0 50 FFAA COc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1C(=O)O 299745974 UJXHABYGZMRSND-MRXNPFEDSA-N 361.781 2.667 0 50 FFAA O=C(NCCCN1CCC[C@H](O)C1)Nc1cc(F)cc(C(F)(F)F)c1 299755352 HVAUXCWHPBGBAE-AWEZNQCLSA-N 363.355 2.813 0 50 FFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2cnc3c(c2)CCC3)C1(C)C 299755975 FWYQYEMLFLYWAS-IERDGZPVSA-N 357.498 2.765 0 50 FFAA OC[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@H]1O 1529192332 TUUYWUJADNJEOD-CRAIPNDOSA-N 369.490 2.776 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3CCC[C@](CO)(CN(C)C)C3)cc2c1 952977739 OKOXZBZWBMFRIM-NRFANRHFSA-N 357.498 2.693 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccccc1OCc1ccccc1 1565528249 SNANQHLZOQVFDM-ICSRJNTNSA-N 355.434 2.728 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCO1 408513465 SAQVZGVFKOVJPQ-INIZCTEOSA-N 363.316 2.683 0 50 FFAA COc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)c(Cl)c1OC 275530553 LWAFJFYSIRZZEK-WFASDCNBSA-N 351.834 2.711 0 50 FFAA O=S(=O)(CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)c1ccccc1 276119744 XRGZCQQMVKTSHM-GOSISDBHSA-N 359.495 2.899 0 50 FFAA COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 170644338 XAVVBRCJNXXKAX-XJKCOSOUSA-N 357.385 2.688 0 50 FFAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc2c(=O)[nH]cnc2cn1 187182574 QDUZJNTXJYGFMZ-CYBMUJFWSA-N 350.422 2.804 0 50 FFAA COC[C@@H](Cc1ccccc1)N(C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 191653361 KDKMNTUZTMCFTN-OAHLLOKOSA-N 369.469 2.569 0 50 FFAA CC(C)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c(O)n1 1353726668 MANXPLOGVJIROS-GOSISDBHSA-N 363.421 2.817 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)o1 216863850 NKFGCYMARSOPOW-WBVHZDCISA-N 356.422 2.877 0 50 FFAA Cc1nc(N2CCCN(C(=O)c3ccccn3)CC2)c2ccsc2n1 1772812441 LPJMGOLPSACGLZ-UHFFFAOYSA-N 353.451 2.747 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)N(C)Cc1ncon1)C2 1772813076 UXLOVWDKDPZUOT-NSHDSACASA-N 373.438 2.561 0 50 FFAA Cc1cccc(NC(=O)N2CCCN(C(=O)Cc3cccnc3)CC2)c1 1775979337 LDQBTJCETXYBKZ-UHFFFAOYSA-N 352.438 2.699 0 50 FFAA Cc1cnc(CN2CCCN(C(=O)c3sccc3Cl)CC2)cn1 1772814872 SEIYEQOPUSWEMX-UHFFFAOYSA-N 350.875 2.848 0 50 FFAA CSc1ccc(CN2CCCN(C(=O)[C@@H]3CCCCN3C)CC2)cc1 1775979112 FPBKXERKLASJDZ-IBGZPJMESA-N 361.555 2.927 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2OC(c3ccccc3)=N[C@H]12 5669961 NGVNTPCATZLIDL-TZGXILGRSA-N 367.401 2.686 0 50 FFAA CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11661838 WQACRQILFPDXEI-OAQYLSRUSA-N 356.441 2.811 0 50 FFAA COc1ccc(CNCCCSC)cc1OC[C@@H](O)CN(C)C(C)C 11873215 GEIFCVHMWQQGAI-KRWDZBQOSA-N 370.559 2.618 0 50 FFAA O=C(NCCc1ccncc1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12448447 KPMZQZKHZJOELB-FQEVSTJZSA-N 365.477 2.612 0 50 FFAA O=C1C[C@@H](NCc2ccc(-n3cccn3)cc2)CN1Cc1ccc(F)cc1 12706056 PCZSWLJBUGXPDA-LJQANCHMSA-N 364.424 2.902 0 50 FFAA O=C(NCCN1CCOCC1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 13153236 NVXQPDFBBREJCF-MGAZVUHYSA-N 368.521 2.973 0 50 FFAA COCCN1CCN([C@@H](C)Cc2cccc(C(F)(F)F)c2)CCC1=O 14997324 UMFQGTFVYMGAQA-AWEZNQCLSA-N 358.404 2.817 0 50 FFAA CCCN1CCC(NC(=O)COc2ccccc2Br)CC1 16580368 RATWKQRYQPIJHM-UHFFFAOYSA-N 355.276 2.819 0 50 FFAA CC[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16651566 WXROFIYAJQRFCT-INIZCTEOSA-N 350.484 2.876 0 50 FFAA COC(=O)[C@@H](C)Nc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1 19111580 QDJOOCMFDDHXLC-GFCCVEGCSA-N 368.393 2.704 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2occc2[nH]1 1857532742 OPIQIFJJEDHIAB-IAQYHMDHSA-N 355.398 2.691 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2cnsc2)CC[C@@H]1O 1875242980 KEZVIROFWNZMPW-PKOBYXMFSA-N 360.479 2.804 0 50 FFAA COc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)cc1 629071 XANJWJGQROHIQR-HNNXBMFYSA-N 357.387 2.818 0 50 FFAA COc1ccccc1CN1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1 328607781 XCCZKKZDPJYIJM-SFHVURJKSA-N 370.497 2.934 0 50 FFAA C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CCCCS2(=O)=O)C2CC2)o1 242389283 ZVVQZJLWFBTMPH-SRCQZFHVSA-N 351.468 2.861 0 50 FFAA CC(C)(C)c1cnc(CNC(=O)NC2CCN(C(=O)c3ccco3)CC2)o1 266973720 PTTQCWNPNBDSCC-UHFFFAOYSA-N 374.441 2.669 0 50 FFAA CC1(C)C[C@@H](CNC(=O)N2CCn3c(nnc3C(C)(C)C)C2)C(C)(C)O1 927628192 OGEOEYUDEZWBGH-ZDUSSCGKSA-N 363.506 2.695 0 50 FFAA COc1ccccc1NC(=O)Cc1noc(-c2cccc3oc(O)nc23)n1 1875270658 BPCMFTVAXVOMSP-UHFFFAOYSA-N 366.333 2.773 0 50 FFAA CCc1ncoc1C(=O)N[C@H]1C[C@H](C)N(C(=O)CCc2cccs2)C1 1875315102 IOYNGUQEZKXFNW-STQMWFEESA-N 361.467 2.651 0 50 FFAA Cc1nc(C)n([C@H]2CCCN(C(=O)NCCc3cccnc3Cl)C2)n1 1875301206 DMAJSHPMLAOXPK-HNNXBMFYSA-N 362.865 2.533 0 50 FFAA C=CC(=O)N1CCC(C(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)CC1 1875363344 RCPUBRASYXOOHW-UHFFFAOYSA-N 364.858 2.577 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccsc2Br)C1 331762853 BKONUSUAYIXHBK-SECBINFHSA-N 355.261 2.659 0 50 FFAA C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(C(=O)CCc1cn[nH]c1)C2 913085716 UHAXBOQKSMOBQP-OYRHEFFESA-N 352.482 2.713 0 50 FFAA Nn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2)o1 1057087 DNKFUFVUFRFNOY-UHFFFAOYSA-N 364.434 2.925 0 50 FFAA O=C(NCc1ccc(CN2CCNCC2)cc1)c1ccc(C(F)F)cc1 2325795192 OHLUERXKCSDDLT-UHFFFAOYSA-N 359.420 2.959 0 50 FFAA Cc1c(NC(=O)N[C@]23CCC[C@@H]2NCC3)cnn1-c1ccc(F)cc1F 873331872 CRYQSMJMJFJFLO-WMZOPIPTSA-N 361.396 2.865 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356168118 QMDDHLBUWYHRQL-INIZCTEOSA-N 362.433 2.797 0 50 FFAA CC(C)CCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 2851246 AMWDWBXEIQYREQ-UHFFFAOYSA-N 367.298 2.922 0 50 FFAA CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2958446 YBVYCONPMRTRLF-UHFFFAOYSA-N 352.843 2.671 0 50 FFAA CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(F)cc2)nc1C 2982664 UHKUEONIAXEXJL-UHFFFAOYSA-N 367.427 2.894 0 50 FFAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 6730426 YCSVJRKOIGOKBV-IBGZPJMESA-N 368.433 2.955 0 50 FFAA COC(=O)[C@@H]1CN1C(=O)c1cccnc1SC/C=C/c1ccccc1 55370631 JBFLDBASBOGJGD-FIEBAAQASA-N 354.431 2.885 0 50 FFAA CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H](c2cccc(F)c2)C1 225548953 RGZIUYXHDDHLSZ-MRXNPFEDSA-N 370.424 2.970 0 50 FFAA CSCCCN(C)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 225600841 GHCOUVGAYNWEJC-UHFFFAOYSA-N 361.515 2.650 0 50 FFAA CCOc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1 100621284 HQOUXTYTGFDYAC-UHFFFAOYSA-N 350.374 2.914 0 50 FFAA C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(Cl)cc1)S(C)(=O)=O 101471577 ATDPBLHDRVMVRL-LMOYCYGVSA-N 370.902 2.799 0 50 FFAA Cc1cc(C)nc(SCC(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)n1 50897495 MVPJQHBLAONUBP-UHFFFAOYSA-N 354.439 2.918 0 50 FFAA COc1ccccc1NC(=O)CN1CCN(Cc2ccccc2C)CC1 20418603 FDTASDYXTJLDRL-UHFFFAOYSA-N 353.466 2.760 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)n1 64800333 BBCQHHADAFEIDQ-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA CN(Cc1cccc(Cl)c1)C(=O)c1cc(CN2CCC[C@@H](O)C2)on1 67789081 XYRGSYSGAZMMHN-OAHLLOKOSA-N 363.845 2.557 0 50 FFAA CCCc1nc(=NCC2(c3ccc4c(c3)OCO4)CCOCC2)s[nH]1 461781343 SBJODUOFAKPRET-UHFFFAOYSA-N 361.467 2.802 0 50 FFAA O=C(CN1CCC(F)(F)[C@@H](CO)C1)Nc1nc(-c2ccccc2)cs1 463233832 PJVWDKQLDUDOAT-CYBMUJFWSA-N 367.421 2.698 0 50 FFAA O=C(NCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2)c1ccccc1 65427488 KWRLVVIMQLTZTI-UHFFFAOYSA-N 362.389 2.803 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)Nc1cnc2n1CCCC2 67934589 VGDVUKCYUXIGLR-UHFFFAOYSA-N 352.398 2.626 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1noc(C3CCCC3)n1)C2 67723393 IDOGDRPXCBRLKB-CQSZACIVSA-N 357.410 2.603 0 50 FFAA COC[C@@H](O)CNc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 39412780 CSURHLJFBJOWHR-AWEZNQCLSA-N 360.801 2.871 0 50 FFAA Cc1ccc(Cl)cc1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 252570373 WOPQIJHVTRMOSC-UHFFFAOYSA-N 352.768 2.973 0 50 FFAA CNC(=O)CC1CCN(Cc2ccc(O[C@@H](C)C(=O)O)c(Cl)c2)CC1 215790375 HSOLYEJUGYMJFC-LBPRGKRZSA-N 368.861 2.540 0 50 FFAA NC(=O)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1 36366201 OOERNAGPSDPGOP-MRXNPFEDSA-N 362.389 2.860 0 50 FFAA Cc1ccncc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)N(C)C 253433146 SRPZLRWCGNTYCZ-HNNXBMFYSA-N 353.875 2.625 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)c3cn(-c4ccccc4)nn3)cc2)no1 72157801 QBVXPGIKLJOMEP-UHFFFAOYSA-N 360.377 2.556 0 50 FFAA Cc1nc(C(=O)N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)c(C)o1 72438191 LETFUIJKVOFORD-UHFFFAOYSA-N 374.441 2.502 0 50 FFAA C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccn1 131115871 XNPAGPQGCIMMCZ-MAUKXSAKSA-N 352.438 2.633 0 50 FFAA CCC[C@H]1CCc2sc(C(=O)N3CCc4c(nc[nH]c4=O)C3)cc2C1 71415569 IXHVVOKOAOABHF-LBPRGKRZSA-N 357.479 2.935 0 50 FFAA Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72418399 WKFVWVZYULBTSJ-KRWDZBQOSA-N 367.497 2.739 0 50 FFAA C[C@H](C(=O)O)[C@@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 262539600 RAEMYMUTEXOFLF-VBKZILBWSA-N 366.417 2.544 0 50 FFAA C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nc2cccnc2s1 241301037 LPVXNGSRVOTRSF-WDEREUQCSA-N 362.455 2.819 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)cc2n1 214999129 KFYVAAKHWIBMDX-IBGZPJMESA-N 354.450 2.998 0 50 FFAA CCOC(=O)c1cn2ccc(Cl)c(I)c2n1 71788977 IIRCJIUYBPOGBX-UHFFFAOYSA-N 350.543 2.769 0 50 FFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@H]1CC(=O)Nc2ccccc21 237657809 UACSJFQMNOEEFZ-RDJZCZTQSA-N 352.390 2.753 0 50 FFAA C[C@@H](CN(C)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O 262366382 DOTPRDISMKWQND-AWEZNQCLSA-N 363.435 2.607 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(Cl)c1 77353586 YMFFBFLDWFIPLX-CQSZACIVSA-N 358.891 2.718 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3nnc4ccccn34)c2)n1 223575396 XKVWCYWTQIMVMW-UHFFFAOYSA-N 360.421 2.521 0 50 FFAA COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3OC)CC2=O)cc1 82115517 YOBHIJQOVQDSSW-UHFFFAOYSA-N 374.824 2.846 0 50 FFAA COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1 285287926 IUMBQCLJGHKRLY-LKRGOLFISA-N 361.482 2.967 0 50 FFAA CC(C)[C@@H](CO)NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1 426473583 LWXRINOLEMUTHP-GOSISDBHSA-N 361.463 2.504 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=S)N2C[C@@H](C)C[C@@H](C)C2)cc1 17073531 RATRCSPQVNQSAR-BETUJISGSA-N 355.529 2.660 0 50 FFAA Cc1nccn1C[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 82086697 VTCJOTVDEQMKQV-KRWDZBQOSA-N 355.438 2.792 0 50 FFAA CN(Cc1nncn1C)C(=O)Cn1c(C2CCCCC2)nc2ccccc21 288277192 MLOYCDMTPGHCMC-UHFFFAOYSA-N 366.469 2.871 0 50 FFAA COc1cc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)ccc1O 175322837 XOGIGSCNARQXHH-UHFFFAOYSA-N 368.433 2.569 0 50 FFAA CCCOc1c(Cl)cc(C(=O)N(C)Cc2nncn2C)cc1OCC 288406759 PJKLBFJZHGHDPB-UHFFFAOYSA-N 366.849 2.928 0 50 FFAA Cc1oc(-c2ccco2)nc1CS(=O)(=O)c1nnc2n1CCCCC2 160900696 LYENIGKSRUMUEV-UHFFFAOYSA-N 362.411 2.535 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCc1ccnc2ccccc12 426739070 OJDAIEJBRHVCSC-GOSISDBHSA-N 354.454 2.777 0 50 FFAA Cc1c([C@H](C)NC(=O)Cc2cn3ccsc3n2)cnn1-c1ccccn1 92037694 HRHKSHJTLFQAQE-LBPRGKRZSA-N 366.450 2.705 0 50 FFAA COc1cc(Cl)cc(CN2C[C@H](CO)[C@H](CN(C)C)C2)c1OC(C)C 91440427 FMYHBWSKGSVNFW-HZPDHXFCSA-N 370.921 2.738 0 50 FFAA CNc1nc(C)cc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)n1 426571602 NLQRALYZCHTLIU-JOCHJYFZSA-N 365.525 3.362 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@@H](C)c3cn4ncsc4n3)[nH]n2)c1 91876965 WJBKFUBORXHVRU-JTQLQIEISA-N 368.422 2.681 0 50 FFAA O=C(COc1ccccc1O)N[C@@H]1CCCc2c1cnn2-c1ccccn1 91586379 BKDAWBKCDIWVKF-OAHLLOKOSA-N 364.405 2.546 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccsc1)c1cccc(Cn2cccn2)c1 91644318 JTNDADRFUYKAGV-KRWDZBQOSA-N 355.463 2.574 0 50 FFAA CCOc1ccc(NC(=O)N[C@@H](CC(C)C)C(N)=O)cc1-n1cccc1 96141753 XRNITEFQFGNGJC-HNNXBMFYSA-N 358.442 2.898 0 50 FFAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](C(=O)O)C3)c12 178256850 HWDIVHFHNXCJKZ-CYBMUJFWSA-N 370.453 2.919 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)N1CCCC[C@H]1CCn1ccnc1 91441719 FEMJEOJSFVDFMQ-HNNXBMFYSA-N 369.425 2.930 0 50 FFAA CC(=O)c1cc(C(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)cs1 96164265 BPLUPVNNYQMAOI-CQSZACIVSA-N 356.447 2.754 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ccccc2)C1 95391137 PAZNNKUHDNATLT-KRWDZBQOSA-N 372.538 2.943 0 50 FFAA COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 97756770 BDVCRUVZXSAWHF-KRWDZBQOSA-N 371.389 2.588 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 92078216 ZTMKILUMVDJTDP-SFHVURJKSA-N 365.408 2.597 0 50 FFAA O=C(c1ccc(OC2CCN(c3cnccn3)CC2)cc1)N1CCCC1 96180297 YRQIGSDQZNWEBN-UHFFFAOYSA-N 352.438 2.760 0 50 FFAA CCOC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(C)cc1 245255672 KGRQIGXUSXTZIK-BEFAXECRSA-N 371.481 2.898 0 50 FFAA Cc1ccsc1C(=O)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263619096 WWJMKEIWUNOJBI-UHFFFAOYSA-N 365.458 2.860 0 50 FFAA Cc1ccccc1-n1nc(-c2ccncc2)nc1[C@H]1CCCN(C(N)=O)C1 95522956 MRFJKGVXGIUMJU-INIZCTEOSA-N 362.437 2.896 0 50 FFAA C[C@@H](NC(=O)CN(C)Cc1ccc(F)cc1)c1nncn1C1CCCC1 299792697 FOWZGDRLUJMZNS-CQSZACIVSA-N 359.449 2.842 0 50 FFAA COCCn1cnnc1[C@H](C)NC(=O)c1cccc(-c2ccncc2F)c1 299776418 BELACJKATLALPU-ZDUSSCGKSA-N 369.400 2.617 0 50 FFAA CN1CCN2CCN(C(=O)Nc3ccc(Cl)c4ccccc34)C[C@@H]2C1 299796582 OWQLZDMQWNKYNR-AWEZNQCLSA-N 358.873 2.957 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc2c1NCCC2 670439914 XJAGKVQZDSZZTI-OAHLLOKOSA-N 353.422 2.672 0 50 FFAA c1ccc(-c2ccc(C[C@@H]3CC[C@H](CN4CCCOCC4)O3)nn2)cc1 952854526 CNGWDNISFWZZPQ-VQTJNVASSA-N 353.466 2.956 0 50 FFAA Cc1nc(C[C@@H]2CCCN(Cc3cc(-c4cnn(C)c4C)no3)C2)no1 184510838 CZMBGJCUTNDTAJ-AWEZNQCLSA-N 356.430 2.530 0 50 FFAA C[C@](O)(CNC(=O)C(=O)c1ccc(Cl)s1)c1ccc(F)cc1F 760394036 NZDRRTNXTVSLQK-HNNXBMFYSA-N 359.781 2.886 0 50 FFAA CCC[C@]1(CO)CN(c2cc(C)c3c(OC)ccc(OC)c3n2)CC[C@H]1O 1529099541 BAWMBYBLFULWPZ-DYESRHJHSA-N 374.481 2.910 0 50 FFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 1151427 UVXBLZSCQSUNDZ-SOFGYWHQSA-N 354.381 2.916 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1CC1CCNCC1 215220449 SYGATBZQFZKTHL-QUCCMNQESA-N 359.489 2.638 0 50 FFAA CC(=O)N[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@@H]1c1ccc(C)o1 216383973 FREPTWAALFHANK-HOTGVXAUSA-N 352.394 2.747 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCCN(c2ccnc(C)n2)CC1 1772812923 SGKPAEVAFPKIFE-UHFFFAOYSA-N 360.845 2.800 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1onc2ncccc12 1775983706 RTSITZBCISUOMM-MRXNPFEDSA-N 351.410 2.575 0 50 FFAA Cc1cccc(CCN2CCCN(C(=O)c3cc(CC(C)C)[nH]n3)CC2)n1 1772705090 VXIWJTFIYVAHJI-UHFFFAOYSA-N 369.513 2.702 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1C 12003743 CFBSABQYXBQHPJ-CQSZACIVSA-N 372.446 2.868 0 50 FFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 12381273 RFXDDNHHNCUOSM-UHFFFAOYSA-N 364.393 2.780 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(CCc2ccccc2)o1 12576076 NWJTTYNQVFHUQT-KRWDZBQOSA-N 357.454 2.815 0 50 FFAA CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 12612979 CIMPFBJSCNRUPA-OAQYLSRUSA-N 356.441 2.811 0 50 FFAA O=C1CC[C@H](C(=O)N2CCCCO2)CN1Cc1cccc(C(F)(F)F)c1 12712613 UDLHKHHBEWCZNO-AWEZNQCLSA-N 370.371 2.998 0 50 FFAA CCN1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1 19888845 MDWXRFSMYLSSEY-UHFFFAOYSA-N 370.585 2.753 0 50 FFAA COc1cccc2ccn(CCC(=O)N[C@H](C(=O)O)c3ccccc3)c12 206410475 URRIQHWWGFUPHG-SFHVURJKSA-N 352.390 2.982 0 50 FFAA O=C(c1cnc[nH]1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12445150 STQYVLPYSLHCQA-IBGZPJMESA-N 360.408 2.816 0 50 FFAA O=C(c1ccc(F)cc1F)N1CCN(C[C@@H](O)CC2CCCC2)CC1 252491207 LJAMMSHIEKHAAQ-INIZCTEOSA-N 352.425 2.664 0 50 FFAA O=C(NCCc1nc(-c2ccc3c(c2)CCO3)no1)c1ccc(F)cc1F 154913488 BOYYOTXOGOOQFM-UHFFFAOYSA-N 371.343 2.922 0 50 FFAA Cc1cc2ncc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)O)c(C)n2n1 262544431 VPRSZWIAUXAALY-YVEFUNNKSA-N 352.394 2.538 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3)cc2)CCO1 262828146 RTILCCQGDFPWCZ-GOSISDBHSA-N 355.390 2.581 0 50 FFAA NC(=O)c1ccc(N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 163329230 LYJBXNIULAFBLR-JTQLQIEISA-N 353.209 2.540 0 50 FFAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)NCc1cnc(C)n1-c1ccccc1)C[C@@H]3C2 1875258085 OXADSCHPQBALSK-HVXNZKGKSA-N 366.465 2.746 0 50 FFAA Cn1cc(-c2ccccc2)nc1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 1875274645 PJZUZDHKQYMMDM-HNNXBMFYSA-N 370.453 2.826 0 50 FFAA O=C(CC1CSC1)N1CCCC[C@H]1CN=c1ncc2ccccc2[nH]1 1875347550 PPBDZFGNSVSZPU-INIZCTEOSA-N 356.495 2.598 0 50 FFAA O=C(Nc1cnc2c(F)cccc2c1)C(=O)N[C@@H](c1ccncc1)C1CC1 1875300241 TUCPNCBSWCUAFK-QGZVFWFLSA-N 364.380 2.975 0 50 FFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1ncc(Oc2ccccc2)cn1 1875399144 PTMYXLMBNVGUFG-ZTFGCOKTSA-N 351.410 2.717 0 50 FFAA CN1C(=O)Cc2c(C(=O)NCc3ccc(N4CCCCC4)nc3)cccc21 1875326862 POCOFKQRNFCMME-UHFFFAOYSA-N 364.449 2.521 0 50 FFAA COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1O 1026636 JLQOHHXGCYAWPT-KRWDZBQOSA-N 369.446 2.832 0 50 FFAA COc1ccc2c(c1OC)C(C)=N[C@@H](CCOCC(F)(F)F)C(=O)N2 2325775953 OVCBBPWNXAPBCY-NSHDSACASA-N 360.332 2.803 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](C)Cc1ccc2c(c1)C[C@H](C)O2 2325792852 QLSXLQNTMXCSRU-OLZOCXBDSA-N 369.465 2.802 0 50 FFAA FC(F)(F)OC1CN(Cc2cn3ccc(Br)cc3n2)C1 2325867835 HAMVTECFZODWNC-UHFFFAOYSA-N 350.138 2.817 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C 922396617 YRQOIIADEOXTAD-NMIHRBCNSA-N 357.542 2.920 0 50 FFAA CC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 840136 UJGWSTDLKWPIAB-UHFFFAOYSA-N 360.435 2.602 0 50 FFAA CC(C)[C@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583273 LYRGLIQVUMAZJU-MOPGFXCFSA-N 369.417 2.995 0 50 FFAA CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 2873241 MUFQVGCDGCAGIX-INIZCTEOSA-N 371.524 2.542 0 50 FFAA COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl 2992884 AWPTYOIRPZBHKM-NSHDSACASA-N 354.255 2.859 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 3145538 FCMBDUSHHCXOIX-SFHVURJKSA-N 366.373 2.744 0 50 FFAA Cc1cccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1 3646584 QQTFBGYTPRNKGU-INIZCTEOSA-N 363.460 2.501 0 50 FFAA O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2 4195896 QMWUFKNDGQSAKW-UHFFFAOYSA-N 364.492 2.966 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 4973534 IPTLPPDHSDZJQB-HNNXBMFYSA-N 358.413 2.950 0 50 FFAA O=C(c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)N1CCCCC1 101724336 JRCRLEDEDRKABT-UOVPBQLFSA-N 352.434 2.848 0 50 FFAA COCc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)o1 20599937 DKNGOZWNFIXHAO-IBGZPJMESA-N 358.482 2.537 0 50 FFAA C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)cc2)CCO1 246901197 LLGAKGZFWJTQGR-VQIMIIECSA-N 358.486 2.614 0 50 FFAA O=C1NCCN(C(=O)c2ccc(-c3ccn[nH]3)cc2)[C@H]1c1cccc(F)c1 65462484 HWSVQAZWRHWJEF-SFHVURJKSA-N 364.380 2.529 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N[C@@H](C)c1ccc(F)cc1 248378844 KUCDWMBZYORNKV-PLYYQAHHSA-N 362.445 2.809 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC2(CCNCC2)CC1 67908330 ICVIQRUTLMUPIZ-UHFFFAOYSA-N 351.454 2.535 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCc2[nH]nc(C3CCCCC3)c2C1 23543713 XYVPPWHPYYLKJH-UHFFFAOYSA-N 364.471 2.809 0 50 FFAA COc1ccc(-c2nc(CN3CCO[C@@H](CN)C3)c(C)o2)c2ccccc12 67784512 MROHTYWCBNAUCB-HNNXBMFYSA-N 367.449 2.971 0 50 FFAA CCC[C@H]1C[C@H]1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67689232 UVXCCNDMEGAFAA-ZWKOTPCHSA-N 368.481 2.762 0 50 FFAA Cc1nc(CN(c2cccc(F)c2)S(C)(=O)=O)n(-c2ccccc2)n1 65406905 GEUKVLUVIXWAOO-UHFFFAOYSA-N 360.414 2.681 0 50 FFAA CN(Cc1nccs1)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 67850704 PKOAIFOLVWCJDP-MRXNPFEDSA-N 373.526 2.779 0 50 FFAA Cc1nc(CCCNC(=O)CC2=CSC3=NCCCN23)sc1C 219913328 FYGPRLBNKGQSCG-UHFFFAOYSA-N 350.513 2.849 0 50 FFAA CC(=O)c1cn(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc12 77302593 CWQULRIGDPBKPE-HNNXBMFYSA-N 350.422 2.973 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(CCc2c(F)cccc2Cl)CC1 328606109 QMGZZJNCIDGSAH-AWEZNQCLSA-N 370.852 2.809 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3[nH]nc4c3CN(C)CC4)[nH]c2c1 72433707 RMHKTVQZEPOMSF-KRWDZBQOSA-N 364.453 2.560 0 50 FFAA O=C(c1ccc(F)cc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72437017 RGXRQZWCUBMPNF-UHFFFAOYSA-N 369.444 2.568 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Cc3ccc(F)c(C)c3)CC2=O)cc1 77420400 PMMKOFORNYHDCW-UHFFFAOYSA-N 354.425 2.856 0 50 FFAA O[C@@H](CN1CCOC2(CCOCC2)CC1)c1cccc(Br)c1 364247205 XBACIXPJHGZLHY-INIZCTEOSA-N 370.287 2.754 0 50 FFAA c1ccc(COC2CCN(c3cc([C@H]4CCCNC4)ncn3)CC2)nc1 39550894 WNZYXUXEGQBLAQ-INIZCTEOSA-N 353.470 2.524 0 50 FFAA COc1cc2c(cc1CN1CCCN(Cc3cccnc3)CC1)OCCO2 215933773 DDUIDDFCKSXOPE-UHFFFAOYSA-N 369.465 2.569 0 50 FFAA O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@H]1C[C@H]2CC[C@H]1NC2 333254920 HRFWSTGAHNXCHR-BPQIPLTHSA-N 370.493 2.774 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCN[C@@H](c2ccccc2)C1 333722929 ILFOPFCEABSLQI-LJQANCHMSA-N 351.450 2.843 0 50 FFAA COCCN1C[C@]2(CCCN(c3cccc(C(F)(F)F)n3)C2)CCC1=O 77377610 CIDRPQDBHGRQIF-QGZVFWFLSA-N 371.403 2.956 0 50 FFAA Cn1cncc1CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 237943708 ILSFVGVMAKRFFK-MRXNPFEDSA-N 366.387 2.892 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Cn2c(=O)sc3ccccc3c2=O)C1 282194290 LBBYBHMAKULBKU-AWEZNQCLSA-N 366.442 2.586 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1sc(COC)nc1C 222867562 ABWWYIUPSMHNOF-MRXNPFEDSA-N 359.495 2.661 0 50 FFAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 17074928 UPKFUGPJNOVYEC-JTQLQIEISA-N 364.467 2.959 0 50 FFAA CN(C)Cc1ccc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc1 136481995 NTRBJWNNYKYDDF-UHFFFAOYSA-N 358.530 2.908 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc(C(C)=O)s3)c2)C1 426668442 RZFWSSAPTWUSDY-INIZCTEOSA-N 356.447 2.968 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)c3cc4c(s3)CCCC4)cc2C1 85532816 AYOVNVHJILWYMT-UHFFFAOYSA-N 372.494 2.506 0 50 FFAA CCc1nnc(CN(C)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)o1 96132972 NMZOCVGODRHCKN-HNNXBMFYSA-N 360.414 2.854 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)n1 426434126 PASCYNMSGHMQCL-CQSZACIVSA-N 357.483 2.707 0 50 FFAA Cc1ccn(C[C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 20616970 VMGTVIHFKYHRRE-VIFPVBQESA-N 371.388 2.977 0 50 FFAA O=c1cc(CN2CCC(Nc3ncccn3)CC2)[nH]c2c(F)cccc12 91876978 BJNSLEHJBLDLKD-UHFFFAOYSA-N 353.401 2.534 0 50 FFAA CC1(C)CCC[C@H](C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1 179416405 FVLUXDZLCMEFNV-INIZCTEOSA-N 369.469 2.749 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)o1 97505858 WATWVPPFIZDFON-SFHVURJKSA-N 374.481 2.792 0 50 FFAA CCNCC1CCN(C(=O)c2ncccc2OCc2ccncc2)CC1 178282879 VAIBMCKDWIBYQO-UHFFFAOYSA-N 354.454 2.517 0 50 FFAA CC(C)Cc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)no1 95366892 FTLMWDVRWRHDTF-QGZVFWFLSA-N 368.481 2.906 0 50 FFAA O=C(C1CC1)N1CCC(c2nc(-c3ccncc3)nn2-c2ccccn2)CC1 96140070 VIWSABMWOKEUIM-UHFFFAOYSA-N 374.448 2.840 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3F)C(=O)C2)cc1 97547601 JEFWWRPLPHVLJC-UHFFFAOYSA-N 355.413 2.629 0 50 FFAA COc1ccc2nc(NC3CCN(C[C@H]4CCOC4)CC3)c(C)nc2c1 293191720 WLAVCTZDNJBXJF-OAHLLOKOSA-N 356.470 2.860 0 50 FFAA COc1ccc2[nH]c(C(=O)N3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)c(C)c2c1 97601002 IPWKABVWKVXHIS-LSDHHAIUSA-N 355.438 2.568 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC(OCc4cccnc4)CC3)cn2c1 91563298 LFFXFRRTFZMFCT-UHFFFAOYSA-N 350.422 2.859 0 50 FFAA COCC(=O)NCc1cc2n(n1)CCCN(CC[C@@H](C)c1ccccc1)C2 91756312 DXYVGTLNVNLFBP-QGZVFWFLSA-N 370.497 2.545 0 50 FFAA O=C(CCN1CCN([C@H]2CCc3ccccc3C2)CC1)Nc1nccs1 244899369 ZIQMZLYPYDNTCM-SFHVURJKSA-N 370.522 2.647 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 299382508 WVOJKUUBBCVWLX-OLZOCXBDSA-N 361.316 2.786 0 50 FFAA CN1C(=O)C[C@H](C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c2ccccc21 299750016 MKHBBMVXKZFPLJ-JKSUJKDBSA-N 370.380 2.608 0 50 FFAA O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1cccc(C(=O)O)c1 299743573 LKQDEFKWQODCGF-UHFFFAOYSA-N 370.380 2.510 0 50 FFAA CCCc1cc(-c2ccc(C(=O)N[C@@H](C)Cn3cncn3)cc2)nc(C)n1 534670873 FQNDPFBXKSQUGY-AWEZNQCLSA-N 364.453 2.815 0 50 FFAA Cc1nc(C)c(CNC(=O)c2cccc(C3=CCCS3(=O)=O)c2)s1 299762229 MMOWCMLBPALCTB-UHFFFAOYSA-N 362.476 2.849 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)no1 299766735 FDDIWHHHCZYCQS-INIZCTEOSA-N 351.410 2.643 0 50 FFAA Cc1ccc(F)c(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299790466 CGNGAVNWHMSZSK-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA COc1ccc(-c2cc(CNC(=O)N3CCC[C@]4(CCNC4)C3)on2)cc1 659594989 HDIQBKOBPABIBF-HXUWFJFHSA-N 370.453 2.635 0 50 FFAA Cc1cc(C(=O)NCC2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)nc(C)n1 825264569 YDIFSBQMWUFEPC-GOSISDBHSA-N 374.529 2.740 0 50 FFAA COc1cc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)ccc1C 1073312027 USRLAKKAQRDONG-MSOLQXFVSA-N 373.497 2.541 0 50 FFAA CNC(=O)c1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)o1 952969171 AENUXNLXMGLVCP-GOSISDBHSA-N 373.428 2.622 0 50 FFAA CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)cc1Cl 952977327 QCNRLORNRAPQJC-AWEZNQCLSA-N 372.856 2.788 0 50 FFAA Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)cccc1-c1nncn1C 952872880 RBCCVLIMNRAMOO-KRWDZBQOSA-N 350.378 2.569 0 50 FFAA O=C(NCC1CCN(C(=O)c2cc[nH]c2)CC1)[C@@H]1C[C@H]1c1ccccc1 952987829 JWNSQWRCQXHKDM-RBUKOAKNSA-N 351.450 2.787 0 50 FFAA Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c2c(C)noc2n1 952972045 PSNRCLOLPRSKFP-LLVKDONJSA-N 366.377 2.836 0 50 FFAA CCc1nccn1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 952977109 OMEDSDXMGGXRPY-QGZVFWFLSA-N 368.481 2.738 0 50 FFAA COc1cccc(F)c1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565515781 YSARVJOKLGNTTB-WMZOPIPTSA-N 359.397 2.938 0 50 FFAA COc1ccnc(N2CCC3(CC2)C[C@@H]3N(Cc2ccsc2)C(C)=O)n1 275743888 PWPLKNPFTUPJNX-INIZCTEOSA-N 372.494 2.954 0 50 FFAA O=C(NCC1(O)CCCCCC1)c1ccc(Cn2cc(Cl)cn2)o1 169990267 JALPAMDXAAKBFR-UHFFFAOYSA-N 351.834 2.993 0 50 FFAA FC(F)(F)c1cnc([C@@H]2CCCN(Cc3cn4cccnc4n3)C2)[nH]1 277814210 PWEQVCQQTBJPOH-LLVKDONJSA-N 350.348 2.851 0 50 FFAA CNS(=O)(=O)c1csc(-c2nc(-c3ccc(C(C)C)nc3)no2)c1 278104572 ZYTYCVZZSWXJFT-UHFFFAOYSA-N 364.452 2.892 0 50 FFAA Cc1nnc(S)n1CCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 170644581 QJLDZYGTAQZLHG-CHWSQXEVSA-N 370.400 2.814 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)c3cccc4c3CCC4=O)cc2N(C)C1=O 1506409711 ZPUXLNJXGMGPPK-NSHDSACASA-N 350.374 2.812 0 50 FFAA CN1C(=O)[C@](CC(=O)Nc2nccn2C)(Cc2ccccc2)c2ccccc21 1529182596 VLJLDORJAVKRLB-QFIPXVFZSA-N 374.444 2.906 0 50 FFAA CSc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1 1144389 CULMYGAKJGXMMI-DTQAZKPQSA-N 372.446 2.631 0 50 FFAA Cc1nc2cc(C(=O)N3C[C@H](c4ccncc4)[C@@H](C(=O)O)C3)ccc2s1 212052706 GHBWMNQSKIVGBK-CABCVRRESA-N 367.430 2.940 0 50 FFAA F[C@H](OC(F)(F)F)C(F)(F)n1cc(I)cn1 1775956534 LGIFDWPHDHRFKP-SCSAIBSYSA-N 359.995 2.869 0 50 FFAA CC(C)(CC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1)c1ccccc1 1772701056 MFYDDDWLYONWDG-IBGZPJMESA-N 350.462 2.924 0 50 FFAA CC(C)CS(=O)(=O)c1ncc(CN2CCCC2)n1Cc1ccccc1 11664303 QPVLGBAOKUDVJF-UHFFFAOYSA-N 361.511 2.957 0 50 FFAA CC(=O)c1cccc(NC(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 12055418 NVXFMRHCUCDLPO-GOSISDBHSA-N 369.396 2.951 0 50 FFAA O=C(NCCc1cccnc1)c1coc(COc2cccc(F)c2F)n1 12307766 RPIJTNJHMOJLPE-UHFFFAOYSA-N 359.332 2.899 0 50 FFAA COC(=O)CN(C)C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 12456376 RXCUBDDAFJNLHW-UHFFFAOYSA-N 356.353 2.803 0 50 FFAA O=C(c1ccncc1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 19952206 AWNPIEQFQSZQAC-FQEVSTJZSA-N 350.466 2.851 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1 169779701 CYCUFYLIAAETCR-UHFFFAOYSA-N 362.433 2.889 0 50 FFAA CNC(=O)CCc1cccc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1 1857694149 CFSUVCHNDMMFER-UHFFFAOYSA-N 374.448 2.877 0 50 FFAA O=C(NCCc1cn[nH]c1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695813 YYJJZQNXXXQYJB-ZDUSSCGKSA-N 373.844 2.780 0 50 FFAA Cn1nc(C2CC2)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857702030 WWJNKJFEJKIICC-UHFFFAOYSA-N 361.449 2.929 0 50 FFAA Clc1ccc([C@H]2CN3C[C@H](Nc4ncnc5[nH]cnc45)C[C@H]3CO2)cc1 1857704858 IMUKNBWLNQBQKO-QLFBSQMISA-N 370.844 2.633 0 50 FFAA O=C(NC1CCCC1)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857709328 RJPMXFSINJTRMU-AWEZNQCLSA-N 370.478 2.541 0 50 FFAA O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCCN(C(=O)C2CC2)CC1 129981721 JUEAJOQAXFLUKI-LJQANCHMSA-N 355.482 2.662 0 50 FFAA CCCc1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 248158465 FKKDIGKVTSQHQO-SJORKVTESA-N 366.465 2.625 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCc3ccc(F)cc3C2)cc1OC 135705247 AMPLIZMUKIFJPR-UHFFFAOYSA-N 365.426 2.898 0 50 FFAA COc1cc(C(=O)NCc2cccc(-n3ccc(C(=O)O)n3)c2)ccc1F 478930497 BFMSAFAVAQHNBV-UHFFFAOYSA-N 369.352 2.648 0 50 FFAA C[C@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1C(=O)O 263016213 DCPIPYGQTCXXSY-XHDPSFHLSA-N 359.451 2.594 0 50 FFAA CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN(CC)CC1 264047731 SBMBKOKPJQJQLA-UHFFFAOYSA-N 356.470 2.875 0 50 FFAA c1csc(-c2nc(Cc3noc([C@H]4CCCc5nn[nH]c54)n3)co2)c1 952893616 IGJYVEJUYLZBCE-JTQLQIEISA-N 354.395 2.963 0 50 FFAA O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@H]1CCNc2ccccc21 1875292930 WZUCQTXYGLNQPT-HKUYNNGSSA-N 364.449 2.816 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2cc[nH]c3nccc2-3)Oc2ccccc21 1875332213 MNTKEPBGRKVBDZ-AWEZNQCLSA-N 350.422 2.874 0 50 FFAA CCn1cccc1CN(C)C(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875314888 YHHXIEDYUJOYDD-CABCVRRESA-N 374.485 2.645 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3nccn3-c3ccccc3)n[nH]c21 1875395157 NXWMPMNDOLLTCF-OLZOCXBDSA-N 351.410 2.548 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@H]1CN(C(=O)c2cnc(C(C)(C)C)o2)CC2(CC2)C1 1875407204 UXMVXWGNPCUJMV-MGPQQGTHSA-N 359.470 2.739 0 50 FFAA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2c(C)cc(C)nc2O)cn1 886080571 ZROADQPIJUHTME-WMLDXEAASA-N 358.442 2.518 0 50 FFAA C[C@@]1(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCOC2(CCC2)C1 894653357 RVFDQEKLYGAHNT-QWFCFKBJSA-N 359.466 2.999 0 50 FFAA COC(=O)c1nc(N2CCN(c3ccccc3F)CC2)c2sccc2n1 2325802295 XRABHSHAWVVWAI-UHFFFAOYSA-N 372.425 2.944 0 50 FFAA Cc1ncc(C(=O)O)cc1C(=O)N1CCCN(c2ccccc2F)CC1 911679040 MVJCNQJAAADUBY-UHFFFAOYSA-N 357.385 2.580 0 50 FFAA COc1ccc(C(=O)[C@H](C)Sc2nnc(N3CCOCC3)s2)cc1 145280318 AQOAOBWMZQIAQC-NSHDSACASA-N 365.480 2.747 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 826179 FHRKQWRNGTVTOB-UHFFFAOYSA-N 358.419 2.564 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)cc2)cc1 845613 CKDQDBKBPOSDFI-KRWDZBQOSA-N 369.446 2.832 0 50 FFAA O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1 1164968 OLNLHKXJFIURPN-UHFFFAOYSA-N 362.341 2.736 0 50 FFAA aggregator O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1678265 VWHKODOUMSMUAF-KRWDZBQOSA-N 371.389 2.890 0 50 FFAA in-vitro CC(C)N1CCC[C@]2(CCCN2C(=O)c2cnc(O)c3ccccc23)C1=O 2356148784 RQGJQZXSCRRLPN-NRFANRHFSA-N 367.449 2.946 0 50 FFAA C[C@H](c1ccccc1)N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 2879553 OZFMZIOAGPZXNE-RISCZKNCSA-N 356.403 2.761 0 50 FFAA O=C(NCc1ccccn1)c1ccccc1NS(=O)(=O)c1ccccc1 4742486 LMFFGEVBSGMGHG-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6697548 DRAVKFKWNREJFG-UHFFFAOYSA-N 365.842 2.772 0 50 FFAA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ncccn2)CC1 6886277 NRSRRPOLTQZFAN-UHFFFAOYSA-N 351.237 2.675 0 50 FFAA COc1ccc(F)c2[nH]c(C(=O)NCc3ccc(NC(N)=O)cc3)cc12 225413884 XVRYXJADRIUBMF-UHFFFAOYSA-N 356.357 2.736 0 50 FFAA COc1nc(C)cc(C)c1CNCc1cn(CCC(N)=O)c2ccccc12 55342094 PUOLZZPHCFKICN-UHFFFAOYSA-N 366.465 2.827 0 50 FFAA COc1cccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 115157211 XSGBRJFZSIQWFB-NRFANRHFSA-N 368.477 2.871 0 50 FFAA CC(=O)N[C@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)C(C)C 67541023 DJVSCQSGPQDHDI-IBGZPJMESA-N 368.481 2.943 0 50 FFAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67920814 CPWYBPGGCKNFNZ-MSOLQXFVSA-N 363.465 2.721 0 50 FFAA CN1C(=O)CCc2cc(C(=O)Nc3cccc(OCC(F)F)n3)ccc21 133300542 JZXSZAFSPFNOQW-UHFFFAOYSA-N 361.348 2.887 0 50 FFAA CCOc1nc(C)ccc1C(=O)NCc1ccc(-n2ccnc2C)nc1 252493710 NFIWLEQNYOYIGX-UHFFFAOYSA-N 351.410 2.608 0 50 FFAA CCO[C@H]1CN(C(=O)c2ccccc2Cc2ccc(C)c(F)c2)C[C@@H]1O 219433078 MHERCGITAPBARG-PMACEKPBSA-N 357.425 2.947 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCCNC3)no1 72427791 LFXZHTMBKGJOTH-SFHVURJKSA-N 371.485 2.784 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 77285584 ICDBAGAXTNWYRJ-SFHVURJKSA-N 365.481 2.906 0 50 FFAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)C1=Cc2ccccc2OC=C1 72151192 FGBZREVLSQECLI-FQEVSTJZSA-N 374.440 2.936 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@H](OCc4cccnc4)C3)c2n1 215447936 VYNJLAJIGNPQMD-IBGZPJMESA-N 351.454 2.922 0 50 FFAA COc1ccc2[nH]nc(CN3CCC(C(=O)N4CCCCC4)CC3)c2c1 77355694 IKGPIPLHEWPHMS-UHFFFAOYSA-N 356.470 2.796 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(C(=O)C2=CCCCCC2)CC1 328645163 SAYDIXMFNKEFQJ-KRWDZBQOSA-N 357.502 2.762 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)COc1cccnc1 328644624 RXPCVCXZVJOXAD-GJZGRUSLSA-N 363.458 2.593 0 50 FFAA COc1ccc(CCNC(=O)c2cnc(OCC3CC3)cn2)c(Cl)c1 253416576 OQPZYRHEJKWLME-UHFFFAOYSA-N 361.829 2.900 0 50 FFAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 253419048 QVJHJIPFQBNTIR-YRPNKDGESA-N 370.493 2.841 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H]3c3cccnc3)ccc2N1 328888713 PUEZVHDHEOSESZ-SFHVURJKSA-N 371.462 2.882 0 50 FFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)C1 153230776 ACNZSOQUDRAGFD-CXAGYDPISA-N 359.401 2.763 0 50 FFAA CC(C)c1cc(CNC(=O)CCCc2nc(-c3cccnc3)no2)on1 219662088 XERBHGVVQPWNOV-UHFFFAOYSA-N 355.398 2.882 0 50 FFAA CC(C)[C@@H]1CN(C)CCN1C(=O)NCc1nc2cccc(Cl)c2n1C 483309507 SNHAJDVYCLTOJB-HNNXBMFYSA-N 363.893 2.708 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1 237963019 VYDRSUBYBXGVTK-GJZGRUSLSA-N 374.343 2.723 0 50 FFAA COc1cccc([C@@H]2CCCCN2C(=O)CSc2nnc(N)s2)c1 215545386 UMSGOVVOQFTURD-ZDUSSCGKSA-N 364.496 2.975 0 50 FFAA CN1C[C@H](CC(=O)NC2CCCC2)Oc2ccc(C(=O)N3CCCC3)cc21 77524832 DBXNFQQVJVSUPO-KRWDZBQOSA-N 371.481 2.569 0 50 FFAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1csc(O)n1 365311025 WAMFYNKNPDKUQU-SECBINFHSA-N 373.356 2.756 0 50 FFAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CCC1CC1)C2 72128395 HGHFGLCFSCCXAN-UHFFFAOYSA-N 351.454 2.680 0 50 FFAA COc1ccc(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)cc1C(=O)O 71745581 QCMLIINTYMLFBV-KRWDZBQOSA-N 359.397 2.976 0 50 FFAA Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCN)C2)oc2ccccc12 72410754 ARTPSMILLVBCOH-FUHWJXTLSA-N 355.482 2.903 0 50 FFAA O=C(c1snc(O)c1Cl)N1CCCN(c2ccccc2F)CC1 376427642 NWYRJAYZFKXUSA-UHFFFAOYSA-N 355.822 2.994 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)N(C)Cc1ccc(OCC(N)=O)c(Cl)c1 215891835 LGKYTNSRABJWLT-GFCCVEGCSA-N 364.877 2.747 0 50 FFAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 215014592 IOKAHHFLASNPQL-CQSZACIVSA-N 370.474 2.842 0 50 FFAA CCn1cnc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)n1 48307222 JYVKPYUDHWAMPW-UHFFFAOYSA-N 367.413 2.760 0 50 FFAA O=c1n(CCOc2ccccc2)nc([C@@H]2CCCNC2)n1-c1ccccc1 71758994 DIVBIDBXWKYBCM-QGZVFWFLSA-N 364.449 2.580 0 50 FFAA O=C([C@@H]1CC=CCC1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 77406577 AAFYSLNZINLVIT-QGZVFWFLSA-N 374.506 2.712 0 50 FFAA CCOC(=O)N1CCC(N2CCC(CO)(C[C@H]3CCCCO3)CC2)CC1 14948502 OKBNLNAPQUMRNH-GOSISDBHSA-N 368.518 2.641 0 50 FFAA C[C@@H]1COCCN1C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 239869315 CYFJCCQTAADXIE-BRWVUGGUSA-N 374.481 2.716 0 50 FFAA C[C@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 241701819 QLKWMRNLZJZYML-APHBMKBZSA-N 360.841 2.859 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)C[C@@H](C(=O)O)C3)c3c2CCC3)cc1 263369486 UYVGGYKLNQBJMT-LSDHHAIUSA-N 367.449 2.852 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@H](Cn2ccnn2)C1 131514061 WPOCDSZGKZVBGY-DLBZAZTESA-N 361.490 2.582 0 50 FFAA O=C(NCCNc1ncc(Cl)cc1Cl)N1CCOC2(CCC2)C1 131727956 ABYDYBATRYALCO-UHFFFAOYSA-N 359.257 2.765 0 50 FFAA Cc1oncc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82137731 VPVHZZPYCIINSZ-UHFFFAOYSA-N 357.458 2.648 0 50 FFAA CC(=O)c1cn([C@@H](C)C(=O)NCc2noc(C3CC3)n2)c2ccccc12 426370666 UTSMOZBXNMFFON-NSHDSACASA-N 352.394 2.982 0 50 FFAA Cc1cccc2nc([C@H]3CCCN3C(=O)NCCSc3nc[nH]n3)[nH]c12 426376376 NBRRXRYOAAULPZ-CYBMUJFWSA-N 371.470 2.628 0 50 FFAA CN1CC[C@@]2(CCCN(C(=O)c3cccc(-c4ccc(C(N)=O)o4)c3)C2)C1 426575150 SMSJNBJBEFDXLF-NRFANRHFSA-N 367.449 2.603 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccccc2)CC1 82083629 YPRKWJKMEJCCKO-UHFFFAOYSA-N 367.497 2.914 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)cc2)cn1 426640600 YCZNAZHEHCPUJW-OAQYLSRUSA-N 353.466 2.586 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)Nc2ccccc2OC)CC1 91391305 MRNUMJWMNPFAEX-UHFFFAOYSA-N 358.442 2.950 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(CCCC(F)(F)F)CC2)n1C 91965914 CHNFUNZUUIHSHA-UHFFFAOYSA-N 370.423 2.890 0 50 FFAA COc1nccnc1-c1ccc(C(=O)N(C)CCc2c(C)n[nH]c2C)cc1 426465066 CHAIVWHWYLVWIV-UHFFFAOYSA-N 365.437 2.807 0 50 FFAA Cc1ccc([C@H](CCO)NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 91416874 GTETYWWWPNWGDE-INIZCTEOSA-N 351.406 2.944 0 50 FFAA CCCn1cnnc1CN(C)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 96180681 IHDSDZYRNZKCCJ-UHFFFAOYSA-N 374.836 2.586 0 50 FFAA O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cnc(C2CC2)nc1 97773119 IDLXCRWNYSZPDK-AWEZNQCLSA-N 351.328 2.836 0 50 FFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCCN(Cc2cccnc2)CC1 95504014 YSNUHQSNNVOLSE-HXUWFJFHSA-N 365.477 2.757 0 50 FFAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](C(=O)O)C3)c12 178256842 HWDIVHFHNXCJKZ-ZDUSSCGKSA-N 370.453 2.919 0 50 FFAA CCCn1cnnc1[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91562660 UQIUDXCWPDTASZ-GFCCVEGCSA-N 354.414 2.578 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)no1 95522455 YOBNKYKXCYCTQY-INIZCTEOSA-N 351.410 2.643 0 50 FFAA Cc1c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)[nH]c2c(F)cccc12 91445072 RJZHKNJSIHDMRJ-OAHLLOKOSA-N 359.445 2.942 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2n1cc(Cn2c(=O)oc3ccccc32)nn1 91746233 VHABTWOQGJLTHN-CQSZACIVSA-N 367.434 2.925 0 50 FFAA CCCc1nc(C(=O)N2CCN(CCOc3ccccc3)CC2)cs1 91678644 IHKDFGDDCGAIJK-UHFFFAOYSA-N 359.495 2.932 0 50 FFAA Cc1ccc(F)cc1[C@H](C(=O)O)N1CCC(CCN2CCCC2=O)CC1 95375514 OGWKAAVMYYOEQM-LJQANCHMSA-N 362.445 2.984 0 50 FFAA O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H](O)CC1 297170263 ADOBFUUSOAFDKG-NOZJJQNGSA-N 373.222 2.578 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)NC1CCN(C(=O)C2CC2)CC1 534588870 VZJXZURAAJJKJK-UHFFFAOYSA-N 366.465 2.777 0 50 FFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CCOc2ccccc21 299742879 JBHXTLUKQBVRSR-FUHWJXTLSA-N 364.401 2.846 0 50 FFAA COc1cccc(N2CCN(CC(=O)Nc3cccnc3Cl)CC2)c1 55060425 LGAUQUQMSDVMBV-UHFFFAOYSA-N 360.845 2.504 0 50 FFAA CCN1C(=O)COc2ccc(NC(=O)N[C@@H]3COc4ccccc4C3)cc21 299775147 HZLIDTDWDBYDAT-HNNXBMFYSA-N 367.405 2.557 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)Nc3cccc4[nH]nnc34)CC2)n1 299766057 BGZRDUFDKGQKPA-UHFFFAOYSA-N 355.402 2.876 0 50 FFAA COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N)cnc2n1CC(C)C 299755138 CMULZVDQDQUUKC-UHFFFAOYSA-N 356.382 2.906 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCCc2noc(C3CCCC3)n2)C1 584895306 ADNOHBRYNHPSEQ-OAHLLOKOSA-N 350.463 2.870 0 50 FFAA COc1cccc(-c2ncc(Cn3cnc4cnccc4c3=O)s2)c1 670467851 JFZNWNGAWXGDEZ-UHFFFAOYSA-N 350.403 2.972 0 50 FFAA Cc1ccsc1CN(CCO)C(=O)[C@@H](c1cccnc1)N1CCCC1 952861715 IYWLPVWDZOYBBX-GOSISDBHSA-N 359.495 2.610 0 50 FFAA O=C(c1cccc(Cl)c1)N1C[C@@H]2CN(CC3CCC3)C[C@]2(C(=O)O)C1 1565528509 AQNXQJKLOKQLCA-KXBFYZLASA-N 362.857 2.599 0 50 FFAA Cc1oc(CN(C)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1C(=O)O 268924647 DBCCXNPBGACLCF-CQSZACIVSA-N 370.405 2.836 0 50 FFAA COc1ccc2cc(NC(=O)N3CCN(c4cc(C)[nH]n4)CC3)ccc2n1 188086387 JPZCKFPXBNYQNW-UHFFFAOYSA-N 366.425 2.629 0 50 FFAA Cn1cc(CCC(=O)N2CC(O)(c3ccc(F)cc3)C2)c2ccccc21 791166175 DGUHWPMRKMJECE-UHFFFAOYSA-N 352.409 2.980 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704333402 ZOYKFGBTJWXBAY-UHFFFAOYSA-N 358.486 2.774 0 50 FFAA COc1cc(Br)c(F)cc1S(=O)(=O)N1CCCCCO1 408285408 FMKMDKMVTZZFNC-UHFFFAOYSA-N 368.224 2.703 0 50 FFAA CCn1ncnc1CN1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1772814561 HPJIUIBMSVRVDE-UHFFFAOYSA-N 369.513 2.944 0 50 FFAA Cc1cc2cccc(C(=O)N3CCCN(C(=O)Cn4cccc4)CC3)c2o1 1772710337 QFFDJPDZBVYMTD-UHFFFAOYSA-N 365.433 2.917 0 50 FFAA COc1ccc(OC)c(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1 5388019 TYQFNOKMJKVFOC-UHFFFAOYSA-N 371.418 2.628 0 50 FFAA Cc1nn(C)cc1CNc1nc(C)c(-c2ccn([C@H]3CCOC3)n2)s1 12130545 KBCDLCYCSNHKGS-AWEZNQCLSA-N 358.471 2.930 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)nc(C)n1 12314432 GUPXJNAHVGETPW-MRXNPFEDSA-N 368.437 2.581 0 50 FFAA CC[C@]1(CCC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CCC(=O)N1 14992220 DNYPKFBJXZCJHO-SIKLNZKXSA-N 372.509 2.668 0 50 FFAA COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1 19550260 AHUCQQCBIJURQA-UHFFFAOYSA-N 356.466 2.696 0 50 FFAA COC[C@@H](C)N1CCc2[nH]nc(-c3cccc4c3OC(F)(F)O4)c2C1 19791492 JLZYMXDZEUHDNJ-SNVBAGLBSA-N 351.353 2.791 0 50 FFAA CN1CCN([C@H](c2ccccc2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 19850127 QPHQJYMBSDNNLS-IFMALSPDSA-N 363.461 2.700 0 50 FFAA Cc1cc(C)n(-c2cccc(-c3nccn3[C@H]3CCS(=O)(=O)C3)c2)n1 1857690652 JNUMPSKTCHOANR-KRWDZBQOSA-N 356.451 2.712 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccc(C)cc1 236717734 KYGPMXZNLGZWOR-FUHWJXTLSA-N 360.454 2.666 0 50 FFAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCC[C@H]1c1ccccc1 130857412 FKKNMCVIDZEARK-SFHVURJKSA-N 361.467 2.760 0 50 FFAA Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CCCn4nccc43)[nH]nc21 818767030 BXQLMWJGSKVHRP-CYBMUJFWSA-N 361.409 2.676 0 50 FFAA C[C@@H]1CCCN(C(=O)N2CCn3c(CCc4ccccc4)nnc3C2)C1 1875270081 BMJQUFLYVADTJX-MRXNPFEDSA-N 353.470 2.731 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H]2CCC[C@H]21 1875266040 SEXBYAILTNNGON-KFKAGJAMSA-N 361.461 2.783 0 50 FFAA Cc1ccccc1CN(C)C(=O)COC(=O)c1ccc2n[nH]c(C)c2c1 1875267153 OHZLLKYEEUPVNP-UHFFFAOYSA-N 351.406 2.995 0 50 FFAA O=C(OC[C@@H]1CC[C@H](CO)CO1)c1cccc(-c2noc(C3CC3)n2)c1 1875298639 IBIHHIHIKHBXNJ-WBMJQRKESA-N 358.394 2.558 0 50 FFAA O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CCc2c(CO)cccc21 1875312768 UHUTYBNZYOVYGX-QGZVFWFLSA-N 365.351 2.690 0 50 FFAA C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c12)[C@@H]1CCCCN1 1875333821 MUVUODPWAAKIQI-CABZTGNLSA-N 351.248 2.586 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccccc4CO)CC3)n[nH]c21 1875393928 RIZMHZLHLRDDRG-KGLIPLIRSA-N 369.465 2.944 0 50 FFAA Cc1nc(C(=O)N2C[C@H](NC(=O)CC3(C)CC3)[C@@H]3CCCC[C@H]32)c(C)o1 1875408352 UERXGDCSPXGMDT-HRCADAONSA-N 359.470 2.981 0 50 FFAA CN1CCc2c(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cccc21 2325737874 UAIYEMOIAPFJMJ-UHFFFAOYSA-N 366.389 2.928 0 50 FFAA OC/C(F)=C1/CCCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 2325802724 XWAWUXMJAQLOTQ-NTCAYCPXSA-N 357.364 2.747 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@](O)(c3ccccc3F)C2)cc1 2325890170 HYNDFDQFHZMTHG-NRFANRHFSA-N 368.408 2.708 0 50 FFAA O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 786026 KSQGJZYEUNXWIX-HNNXBMFYSA-N 350.484 2.536 0 50 FFAA O=C(Nn1cnnc1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 1073861 IQSCYSPIIGPTOX-UHFFFAOYSA-N 350.769 2.926 0 50 FFAA CCc1ccc(NC(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356157710 NFEKYFRGYJFYPE-FQEVSTJZSA-N 351.454 2.963 0 50 FFAA CCn1ncc(NC(=S)Nc2ccccc2C(F)(F)F)c1C(N)=O 2857554 WGYNYAUPHMLURV-UHFFFAOYSA-N 357.361 2.830 0 50 FFAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1cc(=O)c2cc(F)ccc2[nH]1 2356169842 JAVLRIYXCBPKBT-NRFANRHFSA-N 369.440 2.787 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073185 NSGJNGNQTQMOBX-BTYIYWSLSA-N 371.433 2.634 0 50 FFAA biogenic O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(Cl)c1Cl 9225489 RHTZWMPSUOXWQY-GVXVVHGQSA-N 356.253 2.721 0 50 FFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Cn2cncn2)c1 55060927 VNGOCRTXRDFFNN-LBPRGKRZSA-N 363.849 2.688 0 50 FFAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc2cc(C)ccc2nc1C 55340812 DOMOGJJEGZPZFN-MRXNPFEDSA-N 356.422 2.646 0 50 FFAA Cc1c(NC(=O)c2ccc(=O)[nH]c2)cccc1C(=O)NC1CCCCC1 55166684 BSRBWMSMZGAUFM-UHFFFAOYSA-N 353.422 2.998 0 50 FFAA COCC1(O)CCN(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)CC1 225521114 NJEBEXBVJBTGDG-GFCCVEGCSA-N 354.834 2.521 0 50 FFAA Cn1ccnc1CN1CCN(Cc2cnc(-c3ccccc3)s2)CC1 113254200 SEJFKVQULFWCDB-UHFFFAOYSA-N 353.495 2.861 0 50 FFAA CCSc1nc(CC(=O)NCCc2c(C)nn(CC)c2C)cs1 55153236 NSIUNAZDRHPGQZ-UHFFFAOYSA-N 352.529 2.990 0 50 FFAA CC(C)Nc1ccnc(N2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1 106997377 BIIBKUPFGWTNSS-KRWDZBQOSA-N 373.476 2.509 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccnn2C2CCCC2)CC1=O 69209809 NAPSREMLXIJDGK-AWEZNQCLSA-N 368.437 2.998 0 50 FFAA COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCOCC2)c1 20287478 SENKLYNXEAKKAZ-KDOFPFPSSA-N 360.479 2.949 0 50 FFAA CC(C)N1CCC(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)CC1 65408909 OXPLGLBQALTNKO-IBGZPJMESA-N 355.486 2.646 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cc(C)ccc1C 247882649 RUPLKESTKLRCOP-OAGGEKHMSA-N 351.468 2.798 0 50 FFAA Cc1ccc(Cl)c(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)c1 2800435 MYHMYZPEMYNQCL-UHFFFAOYSA-N 362.861 2.705 0 50 FFAA CC(=O)N[C@H]1C[C@@H](c2cc(N3CCOc4ccc(Cl)cc4C3)ncn2)C1 219695567 FBEZSMRRTBRJLC-SAZUREKKSA-N 372.856 2.911 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c(Cl)c1 379293032 WEELZSLDGLMZNM-BXKDBHETSA-N 356.797 2.691 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 238142250 RFBAPSSIFUKBQD-GDBMZVCRSA-N 356.353 2.584 0 50 FFAA Cc1cccn2cc(C(=O)N3CCN([C@H]4CCc5ccccc5C4)CC3)nc12 72129777 ZPJFTGFWJHAIKX-FQEVSTJZSA-N 374.488 2.958 0 50 FFAA Cc1sccc1CC(=O)N1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1 329890465 GHDQTZJMLYSULK-OAHLLOKOSA-N 362.499 2.838 0 50 FFAA COc1cc2c(cc1CNC(=O)Cc1sc(S)nc1C)O[C@@H](C)C2 126341380 OOWARNBSUGLWTD-VIFPVBQESA-N 364.492 2.931 0 50 FFAA COc1cc2c(cc1C(=O)N1CCC([C@H](C)N3CCOCC3)CC1)CCC2 72435798 BDCXKLWWLHUFBU-INIZCTEOSA-N 372.509 2.757 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)c3cc(N)ccn3)C2)CCC1=O 77341311 QGXNCMPJWIBEJX-FQEVSTJZSA-N 358.486 2.555 0 50 FFAA CN(C)c1ccc(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 215907486 JPASSGGTTUNBFP-KRWDZBQOSA-N 364.453 2.972 0 50 FFAA CCCN1CC2(CCN(C(=O)c3cc(C(C)C)on3)CC2)C[C@@H]1C(=O)O 72421238 AMLVTUXIYXAKTG-OAHLLOKOSA-N 363.458 2.589 0 50 FFAA CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 333581051 ZVBIHUULIJYWQB-WMLDXEAASA-N 354.458 2.694 0 50 FFAA Cc1ccc(CS(=O)(=O)NC[C@@H]2CC(=O)Nc3ccccc32)cc1C 377380683 DPXUBRRXCQTBPA-INIZCTEOSA-N 358.463 2.849 0 50 FFAA O=C(O)c1cnn(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 263114604 GHPQQTXFKHTVQJ-UHFFFAOYSA-N 366.421 2.859 0 50 FFAA O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](c2ccc(F)cc2)C1 77437939 BHRZSOHDEISKIG-HNNXBMFYSA-N 351.381 2.552 0 50 FFAA Cc1nn(C)cc1-c1ccnc(NCCc2nc3ccc(F)cc3[nH]2)n1 48140046 NYPILLWTIFJZHS-UHFFFAOYSA-N 351.389 2.856 0 50 FFAA Cn1cc(-c2ccccc2)c(NC(=O)NCCc2cccc(C(N)=O)c2)n1 240871478 IKVYUKZYPLOKOL-UHFFFAOYSA-N 363.421 2.550 0 50 FFAA O=C1C[C@@]2(CCN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C2)C(=O)N1 82108110 CJTSSFPHZKVNPC-HSZRJFAPSA-N 373.456 2.928 0 50 FFAA COCCn1cncc1CNC(=O)N1CCC(Cc2ccc(F)cc2)CC1 426544709 JIUMCPONMXMNKI-UHFFFAOYSA-N 374.460 2.833 0 50 FFAA Cc1cccc(-c2ncc(C(=O)NCCCCc3ccccn3)c(=O)[nH]2)c1 82138953 LKEDDSKKQRHBIO-UHFFFAOYSA-N 362.433 2.893 0 50 FFAA COc1cccc(CCNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1 426551283 NKPFHQIGPBRYOQ-KRWDZBQOSA-N 373.497 2.670 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2O)CC1=O 82134377 NHCUNPUWIQKECX-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA CCOc1ccc2c(C)c(C(=O)NCCc3cnn[nH]3)oc2c1OCC 426563262 YHGBDZURQNXCKN-UHFFFAOYSA-N 358.398 2.629 0 50 FFAA Cc1cc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c2cccc(C)c2n1 82087319 AHUFLEVYSFCITE-KRWDZBQOSA-N 364.449 2.979 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)COCc1nc2ccccc2[nH]1 426612383 JFDVEPINMSMKSB-UHFFFAOYSA-N 354.410 2.605 0 50 FFAA CCCn1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1 91915023 FIAYOGUWCIENEV-UHFFFAOYSA-N 367.453 2.722 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1CN1CCCC1 426525838 HMJRQMAPXYMORV-MRXNPFEDSA-N 365.905 2.768 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1scc3c1OCCO3)C2 91707979 NSTKXZCTTQOBSM-NSHDSACASA-N 361.419 2.509 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cn1 95372500 NITBVJGHKPGEQF-OAHLLOKOSA-N 354.410 2.626 0 50 FFAA COc1cc(OC)cc([C@@H](O)CNC(=O)Nc2ccc3c(c2)CCC3=O)c1 95525674 PALVNAMDDUHKRG-IBGZPJMESA-N 370.405 2.688 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 91365163 HNSAHEDYRGXQOV-UHFFFAOYSA-N 366.421 2.769 0 50 FFAA Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95359782 VLZDSJGEYHWUJI-SFHVURJKSA-N 355.486 2.984 0 50 FFAA COc1cc(CN2C[C@H](CO)[C@H](CN3CCCC3)C2)ccc1OC(C)C 91594579 UNNRKNFVYCPTGA-RTBURBONSA-N 362.514 2.619 0 50 FFAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 95504612 UTBCKQVCRCBOFJ-INIZCTEOSA-N 372.444 2.988 0 50 FFAA Cn1c(CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)nc2ccccc21 292564869 UPKDGJXPUDGDFP-CYBMUJFWSA-N 358.833 2.580 0 50 FFAA Cc1ncn(CC(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)c1C 92077214 YJXJLBLGTPDFIN-OAQYLSRUSA-N 372.513 2.674 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 291641107 JTIJHRIQPVOGJX-OAQYLSRUSA-N 367.497 2.726 0 50 FFAA Cc1ccc2[nH]c(CN3CCC([C@H](C)N4CCOCC4)CC3)cc(=O)c2c1 91444624 YYTPIWCOJKAEQZ-KRWDZBQOSA-N 369.509 2.769 0 50 FFAA O=C(CCN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1)NCc1cccs1 91986611 DHCWIEVRKOPOOS-DLBZAZTESA-N 358.463 2.555 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 97732866 TZXRHORJPMFINM-KRWDZBQOSA-N 360.841 2.800 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 95374798 QKDWBTYYMQOKLP-CQSZACIVSA-N 357.454 2.926 0 50 FFAA Cc1nn(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c(C)c1C 91626266 JJWFAGIWAJLUNH-ZWKOTPCHSA-N 373.428 2.664 0 50 FFAA O=C(CN1CCC2(CC1)c1ccccc1C[C@H]2O)Nc1ccc(Cl)cn1 240203860 JUIBJZDSXXQAOO-QGZVFWFLSA-N 371.868 2.624 0 50 FFAA CNC(=O)[C@H]1CCCN1Cc1cccc(OCCCN2CCCCC2)c1 244787945 QGURVPQIZAOCPJ-HXUWFJFHSA-N 359.514 2.652 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)c1csc(C)n1)[C@H]1C[C@@H](O)C1 252527554 CWDFKRAOPCIHDN-IETSOEAISA-N 350.415 2.841 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(-c2ccccc2)on1 252550137 SAJXZTGBDUTCSW-BPQIPLTHSA-N 363.417 2.849 0 50 FFAA C[C@H](C(=O)N1CCC[C@H]1c1nc2ccccc2s1)N1CCN(C)CC1 182772141 NAZBVRKULPQVDY-ZBFHGGJFSA-N 358.511 2.596 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1C(F)(F)F 299745838 SUDMBEMKFCFRMQ-VXGBXAGGSA-N 354.284 2.677 0 50 FFAA CN(C(=O)c1coc(-c2ccccc2)n1)c1ccc(N2CCOCC2)nc1 182880845 UURYHVDYWLOFHF-UHFFFAOYSA-N 364.405 2.850 0 50 FFAA c1cc(CN2CCn3nc(CNc4cnccn4)cc3C2)c2cccnc2c1 299774309 BTJVFYJMHVECGW-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA CCn1c(C2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)n[nH]c1=O 65388197 SXZWWLUGGMBDPY-HNNXBMFYSA-N 362.499 2.884 0 50 FFAA Cn1nc(C2CC2)cc1NC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 299799214 VXBSHTJHZKBGSZ-INIZCTEOSA-N 355.442 2.906 0 50 FFAA CC(C)c1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C 299798757 SJHFAXHNSISNSS-UHFFFAOYSA-N 358.442 2.700 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)C[C@H](C)n3ccnc3C)nc2c1 299763041 OHKMWIPZMFSSTK-ZDUSSCGKSA-N 355.442 2.729 0 50 FFAA NCCCOc1ccc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1Cl 299773329 DWPKUBVFCQSWFJ-MRXNPFEDSA-N 373.840 2.881 0 50 FFAA CC[C@H](Cc1ccco1)N1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 822628708 GBSFBYUDCZVIQA-MRXNPFEDSA-N 373.453 2.596 0 50 FFAA COC[C@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)[C@H]2CCO[C@H]21 1074589231 GUDSXNZDEAZDFX-YXYSEUPNSA-N 351.446 2.985 0 50 FFAA Cc1cc2nc(C(=O)N(C)Cc3cc(-c4ccccn4)no3)cc(C)n2n1 952981257 UVZGOMKLYIPAFC-UHFFFAOYSA-N 362.393 2.668 0 50 FFAA Cc1cc(NC(=O)c2cccc(CN(C)C)c2)ccc1NC(=O)CN(C)C 952990319 MDRCBNNPKCIQAK-UHFFFAOYSA-N 368.481 2.809 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 271227927 HUMSDJCPBDFTRA-ZBFHGGJFSA-N 351.516 2.827 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)n2)cc1 170600847 XVZSLEXOFVOXGF-CQSZACIVSA-N 372.469 2.739 0 50 FFAA COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1N1CCNC1=O 170640860 BDWULAINBYHYIG-UHFFFAOYSA-N 358.423 2.811 0 50 FFAA Cc1nc2c3ccccc3nc(NCC[S@](=O)c3ccccc3F)n2n1 170626709 WRXLXKRQXKFIGB-SANMLTNESA-N 369.425 2.945 0 50 FFAA Cc1nc([C@@H](NC(=O)CCC(=O)OC(C)(C)C)c2ccccc2F)no1 192312627 VLYJDPAUARTTML-INIZCTEOSA-N 363.389 2.845 0 50 FFAA COc1cc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 2083103 UZZPBWYFWMABBU-FNORWQNLSA-N 371.389 2.771 0 50 FFAA biogenic CCc1cc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)nc(C)n1 1704345433 XXSJDIGZRCHUOY-FQEVSTJZSA-N 352.486 2.688 0 50 FFAA O=C1CN(c2nnc(CSc3ccncc3)o2)CCN1C1CCCCC1 1772701234 JUDJSKMCHDGHIM-UHFFFAOYSA-N 373.482 2.738 0 50 FFAA CCn1nc(C)c(CNC(=O)c2cn(Cc3cccc(Cl)c3)nn2)c1C 11815001 FQFWSFBMFYSBOV-UHFFFAOYSA-N 372.860 2.743 0 50 FFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCOC2)CC1 12199360 KQVSIPJAXSPACL-GOSISDBHSA-N 359.466 2.828 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)C1CCCC1 12202251 BEALELICDLDPGM-SFHVURJKSA-N 352.438 2.992 0 50 FFAA Cc1cc(C)n(CC(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)n1 12206595 VGWCEMQUTHDHTI-HXUWFJFHSA-N 354.498 2.665 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c1 16606933 PACOAAWCUWOHPG-UHFFFAOYSA-N 364.511 2.763 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 18284592 UBDLRIHNDBCOCC-LJQANCHMSA-N 367.424 2.588 0 50 FFAA O=c1c2c3c(sc2ncn1CCO)C[C@@H](NCCC1=CCCCC1)CC3 19720774 UNTAXIFCVDJOPP-HNNXBMFYSA-N 373.522 2.788 0 50 FFAA Cc1noc(C)c1CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 169751111 DMVRLJYEBUXPHP-UHFFFAOYSA-N 350.422 2.798 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C1(c2ccccc2F)CC1 222495687 PNGCWYSRFUYNFJ-QOKNQOGYSA-N 354.425 2.751 0 50 FFAA O=C(NCc1cccc(C(F)(F)F)c1)c1ncoc1[C@@H]1[C@H]2CN[C@H]1C2 1857531950 MNPAECQRNFBMAW-KGYLQXTDSA-N 351.328 2.699 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)o1 1857668031 NMZYPTLRMWZAQE-FQEVSTJZSA-N 368.437 2.785 0 50 FFAA CCCC(=O)N1CCC2(CC1)CN(Cc1ccc(OC)cc1)C[C@H]2C(=O)O 1857685703 QAEAOVJEBGTKNA-SFHVURJKSA-N 374.481 2.621 0 50 FFAA Cc1ccc2cc(CN3C[C@@H](C(=O)O)C4(CCOCC4)C3)c(O)nc2c1 1857704861 IPEWICCNSXOUQT-INIZCTEOSA-N 356.422 2.562 0 50 FFAA CN1CCO[C@H](Cn2ccnc2-c2cccc(OCc3ccccn3)c2)C1 1857727039 IVFBTFVNOUXBFE-FQEVSTJZSA-N 364.449 2.855 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)C1(c3ccccc3)CCCC1)C2 216528003 YMBOQVHJWBEJQY-MJGOQNOKSA-N 370.493 2.594 0 50 FFAA CSc1nc2nc(C)c(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)n2n1 225350224 IRNMFDHNQOVACF-ATVPRXPUSA-N 373.526 2.946 0 50 FFAA Cc1cc(Br)cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 121178298 UIJBFBUCAQLJPY-CYBMUJFWSA-N 366.215 2.663 0 50 FFAA COc1ccc(CC[C@H](C)N[C@H]2CCCN(c3nccnc3O)C2)cc1 328628870 HRYBCKQYUAPHBD-RDJZCZTQSA-N 356.470 2.771 0 50 FFAA O=C1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CN1CC(F)(F)F 331249425 XTXBZOQSEUOFRX-UHFFFAOYSA-N 357.115 2.503 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1F)NCc1ccccc1-n1ccnc1 127248444 YXRFWYDHMJPXSV-UHFFFAOYSA-N 363.389 2.770 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)COc1ccc2ccccc2c1 247904276 BRWWSUDPTLWNHJ-APWZRJJASA-N 352.434 2.688 0 50 FFAA O=C1NCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 252680169 WVZFCFOQGOGIPQ-NFAWXSAZSA-N 355.463 2.741 0 50 FFAA COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 253425040 OCEOPMAYLIKQNT-UHFFFAOYSA-N 366.464 2.771 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2cccc3cccnc23)CC1 262946963 ODOGMCOZLUTESX-SFHVURJKSA-N 355.438 2.522 0 50 FFAA CCC1(O)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 266163918 PMESPANJAANEDN-GOSISDBHSA-N 358.482 2.611 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1704305438 QLPJGINZURPRMY-FQEVSTJZSA-N 351.406 2.634 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc3c(c2)ncn3C)C1 952888392 XONDQFPIUSKJKM-FUHWJXTLSA-N 352.438 2.637 0 50 FFAA O=C1C[C@H]2[C@H](CCCN2C(=O)[C@H](c2ccccc2)n2cnc3ccccc32)N1 1875297107 CJJGLYWSIPFJRF-CUWPLCDZSA-N 374.444 2.505 0 50 FFAA COc1ccc([C@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)[C@@H](C)O)cc1 1875299095 YOMHORNRQNWBST-BDJLRTHQSA-N 363.845 2.662 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1 1875373998 XGJPVJRJKFQQSY-UHFFFAOYSA-N 351.406 2.916 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)[C@@]23CCCC[C@@H]2C3)CC12CCC2)c1cocn1 1875407915 KBWWHQFAGNYHDT-AKCHCHLHSA-N 357.454 2.756 0 50 FFAA Cc1ccc(NC(=O)N(C)C[C@H](O)COCc2ccc3c(c2)OCO3)cc1 888093108 RZKJFZWDRFRVEO-KRWDZBQOSA-N 372.421 2.765 0 50 FFAA CCN(CC)C(=O)c1ccc(NC(=O)c2cnc3ccnn3c2C)cc1 2325789672 FHLHMBAULYWUOC-UHFFFAOYSA-N 351.410 2.772 0 50 FFAA CN(C(=O)c1cnc(-c2cnc3c(F)cccc3c2)nc1)C1CCNCC1 2325796828 RXBXPVHZBVJRIU-UHFFFAOYSA-N 365.412 2.655 0 50 FFAA Cc1nc(-c2ncc[nH]2)sc1C(=O)N(C)[C@H]1CCN(c2ccncc2)C1 2325798231 YBTVEKZBDKDMKS-AWEZNQCLSA-N 368.466 2.588 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)c2ccc(Br)cc2)CC1 2325885448 SQLADNPTRQVKHW-UHFFFAOYSA-N 351.244 2.837 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 2325888712 SPWMMNVOGDWTCD-XLIONFOSSA-N 374.456 2.522 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O 808355 GLFOYVYJJZWORE-KRWDZBQOSA-N 371.368 2.807 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@]12CCCN(C1CC1)C2=O 2356147941 ZNZYOOHVUHQSAN-IBGZPJMESA-N 357.410 2.567 0 50 FFAA O=C1C[C@H]2[C@H](C[C@@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2CO)O1 4261895 SZJVIFMPKWMGSX-AKHDSKFASA-N 352.386 2.823 0 50 FFAA in-vitro COc1cc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc(OC)c1OC 101748943 QRZACNFXIUSQBK-ZOBUZTSGSA-N 374.481 2.659 0 50 FFAA C[C@@H]1CCCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)C1 10541553 CHQGSAOZOODPLT-LLVKDONJSA-N 362.854 2.504 0 50 FFAA COCCN(C(=O)CCn1c(C)cc2ccccc21)C1CCN(C)CC1 55182690 CCVSTPMBCGAHLU-UHFFFAOYSA-N 357.498 2.909 0 50 FFAA C[C@H](O)Cc1cn(CC2CCN(c3cccc(C(F)(F)F)n3)CC2)nn1 20781582 LDRBEHSKRNJTLB-LBPRGKRZSA-N 369.391 2.532 0 50 FFAA CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608231 NIVAHRPKAQUGLC-UHFFFAOYSA-N 372.918 2.797 0 50 FFAA COc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)cc1C 20452436 ULSYDWDJJXVCQX-IBGZPJMESA-N 364.555 2.768 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)n1 67613859 FBXZFXIMNPJRBN-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA O=C(N1CCN(CCO)CC1)N1c2ccccc2CCc2ccccc21 20790271 XUNPGANLRSEIMG-UHFFFAOYSA-N 351.450 2.653 0 50 FFAA CCO[C@@H]1C[C@](O)(CNC(=O)N[C@H]2CCCc3sccc32)C1(C)C 248876470 FKKMXNBQXLVMEH-JOQOYGCGSA-N 352.500 2.991 0 50 FFAA COc1cc(CN2CCN(C3CCCCC3)C[C@@H]2CCO)cc(OC)c1 23358114 YJPFNELNPVBIRR-IBGZPJMESA-N 362.514 2.905 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1nc2c(s1)CCC2 61718721 DHGBNLJCYVYPGV-UHFFFAOYSA-N 370.409 2.633 0 50 FFAA c1ccc(COC2CCN(c3cc([C@@H]4CCCNC4)ncn3)CC2)nc1 39550892 WNZYXUXEGQBLAQ-MRXNPFEDSA-N 353.470 2.524 0 50 FFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1048483 XVOBINBTLCYECZ-UHFFFAOYSA-N 360.863 2.581 0 50 FFAA Cc1nnc2ccc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nn12 32096091 QFHGHSRXJZCYGX-KRWDZBQOSA-N 368.485 2.656 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@@H]2CCCC[C@@H]2C)o1 328609382 DBBDJIMCZQIWAV-SOUVJXGZSA-N 351.447 2.688 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCc2ccc3c(c2)OCO3)C1 219226988 HFVAAPFIKFPTCT-OAQYLSRUSA-N 353.418 2.776 0 50 FFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 122534834 QEAFYUGVQKTAER-UYAOXDASSA-N 369.509 2.731 0 50 FFAA CCOc1ncccc1C(=O)N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71440441 VXXIHKUWDGMUNO-KRWDZBQOSA-N 359.470 2.589 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 36385668 CWHZYQOZDJWKMX-JOCHJYFZSA-N 352.478 2.958 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCCn2ccnc2C)[C@@H](C)C1 72479888 DHXJOAJSKODPKR-INIZCTEOSA-N 356.470 2.718 0 50 FFAA CO[C@H]1[C@H](NC(=O)COc2ccccc2)c2ccccc2C12CCNCC2 72468890 RBIVLPQBSFORDY-RTWAWAEBSA-N 366.461 2.573 0 50 FFAA O=C(O)[C@@H](CNC(=O)[C@H]1CCCN1Cc1ccccc1)Cc1ccccc1 238179853 BOWUHGKUVUOJLF-WOJBJXKFSA-N 366.461 2.711 0 50 FFAA Cn1nnc2cc(C(=O)N3CCC(c4ccccc4C(=O)O)CC3)ccc21 368927006 ZZHBLPQTYLHVDF-UHFFFAOYSA-N 364.405 2.686 0 50 FFAA N[C@@H](C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)C1CCOCC1 261745325 KTUDKBFXJKNTJB-HXUWFJFHSA-N 364.449 2.777 0 50 FFAA CCN(CC)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(CSC)o1 82120915 HGCHJNILJFMFFR-STQMWFEESA-N 371.478 2.747 0 50 FFAA CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCc3[nH]ncc3C2)cc1F 173750577 QCIALSUBDXACTC-AWEZNQCLSA-N 358.417 2.821 0 50 FFAA CC(C)n1cc([C@]2(O)CCCN(Cc3ccn(C4CCCC4)n3)C2)nn1 284683961 RHWRRDIRHWDAOD-IBGZPJMESA-N 358.490 2.654 0 50 FFAA CC[C@@H](NC(=O)c1ccc2nc(C)cn2c1)c1ccc(S(C)(=O)=O)cc1 82161240 NIXOMTFAQYCHTK-QGZVFWFLSA-N 371.462 2.927 0 50 FFAA COc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)ccc1O 82114867 NMLWOQAXNGXVEI-LBPRGKRZSA-N 374.824 2.932 0 50 FFAA OCCN(CC12CC3CC(CC(C3)C1)C2)c1cc([C@@H]2CCOC2)ncn1 426414701 QRRPCLHTEMIYMY-IGDKPHCXSA-N 357.498 2.996 0 50 FFAA CC(C)CN(Cc1ccco1)C(=O)[C@@H](c1cccnc1)N1CCOCC1 97532861 VEDMPARXCVDDCY-LJQANCHMSA-N 357.454 2.733 0 50 FFAA CC(C)n1ccnc1[C@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 95360536 KBOCKHIYOHZNHF-INIZCTEOSA-N 368.485 2.874 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)o1)CC2 91486221 IADZOFPYIROIIM-UHFFFAOYSA-N 372.469 2.801 0 50 FFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ocnc1C)CC2 97742909 IQCIPPYDVPOERH-UHFFFAOYSA-N 369.469 2.662 0 50 FFAA CC(=O)N1CCC(NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1 426500289 NHNAQKWBEYABLM-UHFFFAOYSA-N 372.494 2.866 0 50 FFAA CC(C)NC(=O)c1ccnc(N2CCC(OCc3cccnc3)CC2)c1 96137442 LBUPDQQWASUVHQ-UHFFFAOYSA-N 354.454 2.800 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC([C@H](C)N(C)C)CC1 95364265 KCIIMKQODYHASS-HNNXBMFYSA-N 353.470 2.649 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc(Cn2cccn2)c1 91536035 FOBPLCHVOQWTJT-UHFFFAOYSA-N 374.404 2.649 0 50 FFAA CCc1nc(CCNC(=O)Nc2cc(-c3nnc(C)o3)ccc2C)no1 96141508 YMTULLVEZZZFDY-UHFFFAOYSA-N 356.386 2.663 0 50 FFAA Cc1cc(=O)c(C(=O)N[C@H]2CN(C3CCCCCC3)C[C@@H]2C2CC2)c[nH]1 91664935 ZGUQUDKGTBPYRT-MOPGFXCFSA-N 357.498 2.846 0 50 FFAA COC(=O)[C@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 95387381 RDPATUKJXAYCSH-IBGZPJMESA-N 358.482 2.871 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)OC1=O 95529425 JSCIWIZOYQZGHR-UHFFFAOYSA-N 371.481 2.729 0 50 FFAA CCOc1cccc(C(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1 244874744 XGNOGIBKMMSJGE-FCEWJHQRSA-N 356.422 2.731 0 50 FFAA CNc1nc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)cs1 252495666 OVIBOKZJKUWNJG-UHFFFAOYSA-N 366.494 2.964 0 50 FFAA COc1ccc(CN(C)c2nccc(-c3cn(C)nc3C)n2)cc1OC 48179591 GDNILBPEJDTZHK-UHFFFAOYSA-N 353.426 2.839 0 50 FFAA Cc1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)ccc1F 299789981 ATBNVMSUOVEERF-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA COc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)c(C)c1 299789272 YPWBWJYOVUZQJJ-UHFFFAOYSA-N 368.481 2.632 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3cnc4ncnn4c3)c2)C1 584890477 XZFMVYHJOWEKLW-GOSISDBHSA-N 365.437 2.823 0 50 FFAA COc1cccc2c1OCCCN(C(=O)[C@H]1CC(=O)OC13CCCC3)C2 824804801 NAJIHZPLGSVEFD-OAHLLOKOSA-N 359.422 2.682 0 50 FFAA COc1ccc(OC[C@@H](O)CNC(=O)NC2(c3cccc(C)c3)CC2)cc1 584887821 LQEHNRKKXARUQB-KRWDZBQOSA-N 370.449 2.732 0 50 FFAA Cn1ccnc1C(=O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1076115359 SORVHFQQDIFRNL-JXXFODFXSA-N 353.422 2.531 0 50 FFAA CCNc1nc(C)c(C(=O)N2CCC(N3CCSCC3)CC2)s1 952966702 WNJVOACECKHOOP-UHFFFAOYSA-N 354.545 2.537 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c(C)c1 952966025 HKTMMSXBEZJTEB-QGZVFWFLSA-N 364.449 2.735 0 50 FFAA CCCn1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c(C)n1 952973801 YEXOPOBALQWRSS-HNNXBMFYSA-N 352.442 2.664 0 50 FFAA O=C(NS(=O)(=O)c1cccc(Cl)c1)c1csc([C@H]2CCCO2)n1 165217011 IEAIYKCBQVQQJG-GFCCVEGCSA-N 372.855 2.767 0 50 FFAA CCOC1CC(CN[C@H](CC)c2ccc3c(c2)CCO3)(N2CCOCC2)C1 193393166 FNRIKTPCPQDYAG-SNCIUUNGSA-N 374.525 2.932 0 50 FFAA CCCC(=O)c1cn(CC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c2ccccc12 1616093465 XEAGBPDXLZSAIM-RDJZCZTQSA-N 367.449 2.560 0 50 FFAA O=C(CCN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1)NCc1cccs1 222047366 DHCWIEVRKOPOOS-SJORKVTESA-N 358.463 2.555 0 50 FFAA Cc1cccc(-n2cc(CN3C[C@H](O)[C@H](Cc4cc(C)no4)C3)cn2)c1 1529191858 GWPZFROBTSUPFE-XLIONFOSSA-N 352.438 2.513 0 50 FFAA Cc1ccccc1CC(=O)N1CCCN(Cc2cccc3nonc23)CC1 1529167694 QHFLLWGKVBDOSJ-UHFFFAOYSA-N 364.449 2.808 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3nccn3C3CC3)C1)CC2 1704310333 RSPWMKBDRBPRQD-FQEVSTJZSA-N 352.486 2.554 0 50 FFAA COc1cc(C)ccc1OCCN1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704299580 RUHXPWJGCALOIW-UZLBHIALSA-N 360.454 2.868 0 50 FFAA OC[C@H](O)C1CCN(Cc2cnc(-c3cccc4ccccc34)nc2)CC1 1772711351 YAGBPJCNDDQFCL-NRFANRHFSA-N 363.461 2.862 0 50 FFAA CCCN1C[C@H]2CN(CC3COCCOC3)C[C@@]2(CCc2ccccc2)C1 1772807683 RONRACIMOHEXOZ-XZOQPEGZSA-N 372.553 2.926 0 50 FFAA CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 5388028 JHMQIZFZCJXJCE-UHFFFAOYSA-N 368.418 2.569 0 50 FFAA CC1(C)C[C@@H](C(=O)NC[C@@H]2Cc3cc(-c4cnccn4)ccc3O2)CCO1 12279146 RZHTXOMHYUYYEG-RDJZCZTQSA-N 367.449 2.769 0 50 FFAA CC1(C)C[C@H](C(=O)NC[C@H]2Cc3cc(-c4cnccn4)ccc3O2)CCO1 12279149 RZHTXOMHYUYYEG-NVXWUHKLSA-N 367.449 2.769 0 50 FFAA COC(=O)[C@]1(C)C[C@H](C(=O)NCC2CC2)[C@H](c2ccccc2Cl)N1C 14969534 YSQKQELHEBMAIH-QOKNQOGYSA-N 364.873 2.791 0 50 FFAA O=C(NCc1ccon1)c1coc(COc2cccc3cccnc23)n1 15064070 CHZICHWNLKWGFS-UHFFFAOYSA-N 350.334 2.720 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Br)c2)n1 18127740 UTQMHYUZQIBDLF-UHFFFAOYSA-N 354.229 2.572 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1ccccc1F 206232640 MYLMVGDBTBDGDI-MRXNPFEDSA-N 353.353 2.635 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1onc3ncccc13)CC2 1857671591 JYWMIYRCFBQAIW-UHFFFAOYSA-N 373.416 2.864 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(Cc3cccc(C(=O)O)c3)C1)CC2 1857694777 XGMNPKRWHDPRFV-HXUWFJFHSA-N 353.422 2.669 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccccc3F)C[C@]23CC[C@H]1O3)c1ccoc1 1857735655 FSPYXKURBKDTSP-GMLUQMLDSA-N 370.424 2.828 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857739519 MNGUDJGTUZZMPM-ZQIUZPCESA-N 367.877 2.968 0 50 FFAA CNC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 237102904 NUYMYFXUWDRFIO-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@]2(CCCNC2=O)[C@H]1C 1875243133 RUCABFBBBLTRIV-VFNWGFHPSA-N 353.466 2.926 0 50 FFAA COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H]3C(=O)OC[C@@H]32)ccc1O 1627658 CAYMSCGTKZIVTN-CKFHNAJUSA-N 356.374 2.592 0 50 FFAA biogenic CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C(=O)O)c1ccccc1 236830058 UYKLCDQLPOXTSE-UYAOXDASSA-N 364.401 2.893 0 50 FFAA CNC[C@@H]1CCCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)C1 237266640 FKCYWTFVVUNKRK-AWEZNQCLSA-N 361.877 2.609 0 50 FFAA COCCC1(C(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)CC1 1875307373 CLXUJDVHEDXGEH-UHFFFAOYSA-N 353.466 2.696 0 50 FFAA C[C@H](C(=O)N1CCc2c(O)nc(O)nc2C1)c1cccc(C(F)(F)F)c1 1875307258 LTGCJFMMBCDQGB-VIFPVBQESA-N 367.327 2.595 0 50 FFAA C=CC(=O)NCC1(NC(=O)c2cc3ccccc3oc2=O)CCCCC1 1875371287 WFEHEBFUOPKBTK-UHFFFAOYSA-N 354.406 2.528 0 50 FFAA O=C(O)[C@@H](CC1CCC1)NCc1cc2ccccc2nc1N1CCOCC1 1875306602 LWGVQPRSSZXZKX-LJQANCHMSA-N 369.465 2.804 0 50 FFAA C[C@@H](C(=O)N1CC(C)(N2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1875354445 WAQOKRGYXRYJKY-CYBMUJFWSA-N 356.388 2.742 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)[C@@]23CCCC[C@H]2C3)CC12CCC2)c1cocn1 1875407918 KBWWHQFAGNYHDT-YYFZDKIDSA-N 357.454 2.756 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cncc(OC)c2)CC[C@H]1C 1875406844 NIOUJPNFSGTXOZ-YBLQJDFOSA-N 359.470 2.636 0 50 FFAA Cc1ccncc1[C@H](C)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 888078285 GLOYUKPJVGGLKL-POZUXBRTSA-N 353.470 2.669 0 50 FFAA COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1cccc(Cl)c1Cl 4786663 LKVZQYSCCKHDHT-MRVPVSSYSA-N 357.193 2.515 0 50 FFAA COC1(CN(C)C)CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 2356147912 XZQZDHGBMLBXGI-UHFFFAOYSA-N 359.495 2.993 0 50 FFAA CCOc1cc(C(=O)NC[C@@H](C)CN(C)C)cc(OCC)c1OCC 2863213 JFTSDXAQGHVGIJ-CQSZACIVSA-N 352.475 2.810 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 3684649 PRUPQCIQHAZBHA-JKSUJKDBSA-N 350.846 2.880 0 50 FFAA O=S(=O)(NCCSc1ccccc1)c1ccc2c(c1)OCCO2 4181130 OBZNAANSAZGDTH-UHFFFAOYSA-N 351.449 2.528 0 50 FFAA O=C(NCc1ccc(Oc2ccccc2)cc1)N[C@@H]1CCc2ncnn2C1 112747541 RNBMDZXQSUCURY-MRXNPFEDSA-N 363.421 2.885 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCOCC2)cc1 57834921 YPFVSTIWVKBIJX-GOSISDBHSA-N 368.477 2.911 0 50 FFAA O=C(CC1=CSC2=NCCN12)N(Cc1ccsc1)C[C@H]1CCCO1 102627899 SMZSIAJKAVNMSY-OAHLLOKOSA-N 363.508 2.906 0 50 FFAA CCN(CC)[C@H](Cn1cnc2sc3c(c2c1=O)CCNC3)c1ccco1 65373591 RVVXHKSLDMZUHG-CQSZACIVSA-N 372.494 2.780 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 117954785 GBFAXGLJLPFCIB-UHFFFAOYSA-N 363.464 2.868 0 50 FFAA Cc1nc(C2(NC(=O)NCc3csc(-c4ccco4)n3)CCC2)no1 121530197 YCZRMMOTZCUGKT-UHFFFAOYSA-N 359.411 2.973 0 50 FFAA Cc1ccc(CN(C)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)nc1 252509757 YUVSSNDFKGIJCN-UHFFFAOYSA-N 368.437 2.526 0 50 FFAA Cc1ccc(S(=O)(=O)CCC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)cc1 219421342 XCPULKURZBRHLK-KRWDZBQOSA-N 374.506 2.952 0 50 FFAA CC(=O)Nc1ccc(-c2nccn2-c2ccc(-n3nnnc3C)cc2)cc1 72473967 IKRMWVGWSPGPRC-UHFFFAOYSA-N 359.393 2.782 0 50 FFAA O=C(Nc1cccc(F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528327 JLWKIZXJWGYNRF-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA C[C@H](COC1CCCC1)CS(=O)(=O)N1CCOC[C@H](C2CCC2)C1 328780948 UQIVSYVMACQOPA-NVXWUHKLSA-N 359.532 2.660 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3nccc4ccccc34)C2)C1 72146624 XRLBWLFMEGNOHN-NRFANRHFSA-N 353.466 2.809 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccn3nnnc3c2)cc1 77380119 IJVGBOGOEWYESI-GOSISDBHSA-N 364.453 2.553 0 50 FFAA C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(F)(F)C3)cn2)C[C@@H](C)O1 331852058 HYSPMESMQOGJCJ-NFAWXSAZSA-N 353.413 2.747 0 50 FFAA CCC[C@H](C)N1CC2(CCN(CC(C)(C)N3CCOCC3)CC2)OC1=O 72462924 BIUOGQNWOICHCR-KRWDZBQOSA-N 367.534 2.573 0 50 FFAA O=C1COc2cc(N[C@@H]3CCN(c4c(F)cccc4F)C3=O)ccc2N1 124290331 KBMXEMHXCPUTEG-CQSZACIVSA-N 359.332 2.513 0 50 FFAA COc1ccc(N[C@H]2CCCN(CC(=O)NCc3cccs3)C2)cc1 72139157 FJFYCDTVYZMDLJ-INIZCTEOSA-N 359.495 2.949 0 50 FFAA CN(Cc1cccc2ncccc12)C(=O)Cc1ccc(N2CCNC2=O)cc1 72418785 HBXLPHRQKRKVKN-UHFFFAOYSA-N 374.444 2.966 0 50 FFAA Cc1cc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c2c(C)noc2n1 360759850 YLFGOBFXTJUGAV-IBGZPJMESA-N 355.369 2.712 0 50 FFAA O=C(CC1=CSC2=NCCCN12)NCCOc1cccc2cccnc12 219233461 IXVBSEFUQHLXGG-UHFFFAOYSA-N 368.462 2.770 0 50 FFAA C[C@@H]1C[C@@H](CSCC(=O)Nc2ccc(C(=O)N(C)C)cc2)CCO1 485598724 KPBGOVDNRYUMRN-KGLIPLIRSA-N 350.484 2.875 0 50 FFAA C[C@@H]1CN(c2ccccc2NC(=O)N[C@H]2CCc3c[nH]nc3C2)C[C@@H](C)O1 332921634 CISLPQGUPBMBLO-FMKPAKJESA-N 369.469 2.702 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 71416197 IQLJJOXKGWIGIL-UHFFFAOYSA-N 352.438 2.734 0 50 FFAA COCC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 77387421 VFLRKLJMYNNQDM-SFHVURJKSA-N 362.445 2.764 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)O)n2)cc1 237510890 JLYBRLYIGVKDOY-CQSZACIVSA-N 357.410 2.740 0 50 FFAA O=C1CC[C@H]2CN(c3nccc4ccccc34)CC[C@H]2N1CCCCO 72475716 YVEFWDPKOKWHIP-PKOBYXMFSA-N 353.466 2.825 0 50 FFAA O=C(O)C1(n2cccn2)CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 72453595 GHHCTWZRWAJDCB-MRXNPFEDSA-N 359.426 2.794 0 50 FFAA CC(=O)N1CCc2c(nc(C)nc2NCC(C)(C)N2CCC(C)CC2)C1 71745364 GBDDDESHYDRQMB-UHFFFAOYSA-N 359.518 2.612 0 50 FFAA Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](CC(N)=O)C3)o2)c(C)c1 377146762 OWLYPPQFXJVIPD-HNNXBMFYSA-N 356.422 2.813 0 50 FFAA COc1cc(OC)cc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)c1 262988930 VBVYCSIWLHIVHF-ROUUACIJSA-N 355.390 2.644 0 50 FFAA Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc4cccnc34)CCO2)n1 131298663 JISHDWWGKBFESD-QGZVFWFLSA-N 368.412 2.728 0 50 FFAA Cc1cc(N2CCN(C(=O)Nc3ncccc3OC(C)C)CC2)nc(C)n1 241173083 KFXCHSHBNXRVJL-UHFFFAOYSA-N 370.457 2.630 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)NCc1nc2ccccc2n1C 426477880 IMVUSUSNSDWCOG-UHFFFAOYSA-N 353.426 2.782 0 50 FFAA CCCc1nc(C(=O)N2CC[C@@H](COCC)C2)nn1-c1ccccc1F 175482364 OYDJRCJEWCEOSV-CQSZACIVSA-N 360.433 2.858 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3ccc(C(F)(F)F)nc3)C2)n1 426421021 BSZNIZHTVNJTTB-ZDUSSCGKSA-N 368.359 2.761 0 50 FFAA O=C(N[C@@H]1CCCCN(C(=O)C2CC2)C1)c1c[nH]nc1C1CCCCC1 82107183 KYZWUHBAVMLIOL-MRXNPFEDSA-N 358.486 2.978 0 50 FFAA COCCNc1nc2cc(C(=O)NCCc3ccc(C)o3)ccc2n1C 223467003 MUYWYWKHYWHRHY-UHFFFAOYSA-N 356.426 2.506 0 50 FFAA O=C(c1onc2c1CCCC2)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426509347 ISFRQACLBKBUQM-GOSISDBHSA-N 365.477 2.869 0 50 FFAA O=C(NCc1cnn2cccnc12)Nc1ccnn1C[C@H]1CC=CCC1 96151618 AVIMFTOJDNBHLH-AWEZNQCLSA-N 351.414 2.604 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)CN1CCCO 91757167 KUSBKEZBEBLBRO-UHFFFAOYSA-N 350.890 2.927 0 50 FFAA C[C@@](O)(CNCc1ncc(C2OCCO2)s1)c1ccccc1Cl 290049336 JOBWATHOPBAFRT-MRXNPFEDSA-N 354.859 2.839 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc3sccc3[nH]1)CC2 95511667 GRBPNKTWXSQERL-UHFFFAOYSA-N 369.494 2.962 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1NC(=O)N(C)C 91943289 VADDFROTNXWABI-JKSUJKDBSA-N 351.516 2.825 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCCC(N)=O)CC2)C1 91693753 HYZIYHZZLHAMCR-LJQANCHMSA-N 371.525 2.760 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95497499 MYRQSVNITLTQNQ-DOTOQJQBSA-N 371.510 2.821 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2[C@H]3CC[C@@H]2CCNC3)c1 91350647 VLZZCYHUZXGROP-MSOLQXFVSA-N 372.465 2.619 0 50 FFAA COc1ccc(C(=O)N2CCC(c3nc([C@H]4CCOC4)no3)CC2)cc1 96153648 UFXUVUQAUZDNTG-HNNXBMFYSA-N 357.410 2.602 0 50 FFAA O=C(NCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91535431 UDMJXUOTXFWNKE-FUHWJXTLSA-N 356.495 2.949 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C1Cc3ccccc3C1)CC2 91460566 KZFLYYIPMGAWJH-UHFFFAOYSA-N 364.493 2.663 0 50 FFAA CC(C)(C)C(=O)Nc1ncccc1CN1CCC[C@H](c2cc(=O)[nH]cn2)C1 23192493 LVPFGBNPGQUOQJ-AWEZNQCLSA-N 369.469 2.529 0 50 FFAA c1ncn(Cc2nc(-c3ccc4c(c3)OCCO4)n(C3CCCCC3)n2)n1 95518452 QINMPUKLBSMTHT-UHFFFAOYSA-N 366.425 2.861 0 50 FFAA C[C@@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1ccc(S(C)(=O)=O)cc1 97654139 DOXCFAZESVWBLM-CYBMUJFWSA-N 369.446 2.971 0 50 FFAA O=C(CCN1CCC[C@@H](OCc2ccccn2)C1)NCc1cccs1 244887888 YQCZOBLJHIYLFW-QGZVFWFLSA-N 359.495 2.831 0 50 FFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccccc1N1CCOCC1 244708019 KMBHRHFQXBCDDZ-UEXGIBASSA-N 366.461 2.765 0 50 FFAA O=C(CCc1cccnc1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252523181 CAAFWALBRKWUKY-LVCYWYKZSA-N 352.434 2.578 0 50 FFAA CCOc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 181326577 XPVMBHIUPUZGPT-LLVKDONJSA-N 352.387 2.596 0 50 FFAA COc1cccc(N2CCN(c3cc([C@H]4C[C@@H](N)C4)ncn3)CC2(C)C)c1 252572415 ZGBPVFMNFKSPNR-IYBDPMFKSA-N 367.497 2.795 0 50 FFAA CCOC(=O)Cc1nc(C(F)(F)F)ccc1I 263622898 BUAYIFZLEYZTDS-UHFFFAOYSA-N 359.085 2.811 0 50 FFAA CN1CCC(C(=O)NC[C@H]2CCN(C(C)(C)C)C2)(c2ccccc2)CC1 299780567 OCOYGECWURCWMB-GOSISDBHSA-N 357.542 2.887 0 50 FFAA COc1ccc(NC(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1C(=O)N(C)C 299796895 OPITUCWFUDQECQ-UGSOOPFHSA-N 371.437 2.641 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(Cl)nc1C 299774055 FPQMIJZAHOCDDZ-LLVKDONJSA-N 352.826 2.554 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 299764237 YPGNGBGUGDAOBU-MOPGFXCFSA-N 352.482 2.692 0 50 FFAA O=C(CCn1cccn1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 299767249 QBUPOCHORUEBPG-UHFFFAOYSA-N 363.465 2.993 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2cc(O)ncn2)cc1 584885463 FCXMSLWISDZBNR-KRWDZBQOSA-N 365.437 2.890 0 50 FFAA CN1CCOC[C@@H](CNC(=O)N(Cc2ccccn2)C2CCCCC2)C1 584895858 OWENSXAWKVLXHB-KRWDZBQOSA-N 360.502 2.504 0 50 FFAA CC[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 670453173 NHXKJNBXRSHBGH-CYBMUJFWSA-N 353.362 2.511 0 50 FFAA COC[C@H](c1ccccn1)N(C)S(=O)(=O)c1cc(C)c(C)cc1OC 952965429 FEULCDHIOFWQPW-MRXNPFEDSA-N 364.467 2.715 0 50 FFAA CC(C)Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)nc(O)n1 952974028 YWWFLMRJJUUTLB-UHFFFAOYSA-N 369.421 2.914 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 952990369 XYYFFUADVTWWDE-AWEZNQCLSA-N 368.441 2.639 0 50 FFAA O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1C[C@@H](O)C[C@H]1CO 185929085 SLJPHZXHFUIRTH-HOTGVXAUSA-N 366.392 2.609 0 50 FFAA CC[C@@]1(CO)CCCN1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 189665256 DNGHCMGLTJRTBO-INIZCTEOSA-N 370.375 2.757 0 50 FFAA CCc1c(C(=O)NCc2nnc(C3CC3)o2)cnn1-c1ccccc1OC 193997428 XAQZSAJSFXETND-UHFFFAOYSA-N 367.409 2.634 0 50 FFAA CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@H]1CCCN(c2cccnn2)C1 195229084 CWFYKFOVLRXDDE-OKZBNKHCSA-N 369.444 2.782 0 50 FFAA Cc1cccc(NS(=O)(=O)c2cccc(C(=O)O[C@@H]3CCOC3)c2)c1 761154956 BPAUFJIVDAHHGD-MRXNPFEDSA-N 361.419 2.742 0 50 FFAA O=C(c1scc2c1OCCO2)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 209920840 QSEMVVPQVIARFM-KGLIPLIRSA-N 363.410 2.649 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529161776 PLEITMQKWDPVPX-SJORKVTESA-N 370.449 2.622 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1615736623 KYXLUFKSNQXYQC-MJGOQNOKSA-N 354.450 2.921 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(C(=O)c2ccc[nH]2)CC1 1772814844 FFSGQJINPKSUFI-UHFFFAOYSA-N 355.438 2.792 0 50 FFAA CC(C)c1ocnc1C(=O)N1CCCN(C(=O)c2ccnn2C(C)C)CC1 1772711750 JVXLGWBGYQEMJN-UHFFFAOYSA-N 373.457 2.564 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1 5050919 LCIDYUGAILZTJK-AWEZNQCLSA-N 362.451 2.618 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccs2)n2ncnc2N1 13127032 YKHYIUKAEVWOSY-INIZCTEOSA-N 351.435 2.945 0 50 FFAA COc1cccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)c1 14962002 CFINMAUFIXOZSL-GOSISDBHSA-N 352.434 2.659 0 50 FFAA COCc1ccc(CN(C)Cc2nnc(SC)n2C[C@@H]2CCCO2)o1 14971913 FJCPILNSXCGYNI-ZDUSSCGKSA-N 366.487 2.550 0 50 FFAA Cc1cc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)oc1C 15072894 ZRNPYFSXISLYRQ-QGZVFWFLSA-N 359.514 2.851 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1 15074175 BNRSTZXCPNODGL-OAQYLSRUSA-N 356.466 2.836 0 50 FFAA COc1cccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c1 19863004 BIOMZRBOOIMBTP-OAHLLOKOSA-N 357.387 2.818 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 4521870 XNRNNGPBEPRNAR-XGZCXCQCSA-N 370.486 2.769 0 50 FFAA endogenous,in-man Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ncccc3Cl)C2)c1C 1857531483 CSOFZZFRWVNTRM-CYBMUJFWSA-N 374.876 2.534 0 50 FFAA CC(C)c1nccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 1857685527 WUILKQSKEXTMMY-ZIFCJYIRSA-N 366.465 2.544 0 50 FFAA CCc1ccc(CN2C[C@@H]3[C@H](CNC(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)s1 1857715250 IVNUDYDYJKEFOV-JRBPQWBISA-N 360.523 2.816 0 50 FFAA CS(=O)(=O)c1ccc(-c2nccn2[C@@H](CO)c2ccc(F)cc2)cc1 1857721721 CLLLWHKFOBEHAK-KRWDZBQOSA-N 360.410 2.674 0 50 FFAA Cc1occc1C(=O)NC[C@H]1[C@H]2CN(C(=O)CCC(C)C)C[C@]23CC[C@H]1O3 1857724480 XWHTYGKKCUHRBJ-XKGFGPFHSA-N 374.481 2.760 0 50 FFAA COc1c(C(=O)O)cc(-c2ccc(-c3nc(C)no3)cn2)c(OC)c1OC 1875241429 ABNNOTUYNOZTCN-UHFFFAOYSA-N 371.349 2.831 0 50 FFAA CCn1nc(C)c(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1C 1875245649 KDGLNWTUAJTENL-TZIWHRDSSA-N 354.498 2.778 0 50 FFAA Cc1ccc([C@H]2CN(Cc3nnc(C4CC4)o3)C[C@@H]2NC(=O)C2CC2)cc1 211943152 CGFAKAJBKJOMRA-MSOLQXFVSA-N 366.465 2.750 0 50 FFAA Cc1c[nH]cc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1=O 332160591 IYBVAJAXOPMRHP-CQSZACIVSA-N 359.857 2.856 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1Br 237188314 ABBASJBPLRZJNW-OCCSQVGLSA-N 369.303 2.976 0 50 FFAA Cc1nnc([C@@H]2CN(C(=O)c3scc(C)c3Br)CCO2)o1 375973325 GXAANTFVSYLBTC-VIFPVBQESA-N 372.244 2.724 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)[C@@H](O)c1ccccc1C(F)(F)F 900274891 YBUIOTTVJRGXLK-INIZCTEOSA-N 356.388 2.729 0 50 FFAA Cc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@H](N4CCCC4)C3)C2)cc1C 802379168 IAASLZMPESGOEU-OALUTQOASA-N 370.497 2.676 0 50 FFAA CC(C)c1ccc([C@@H](NC(=O)N2C[C@]3(CO)C[C@]3(CO)C2)C(C)C)cc1 1875278361 SGADJSTYRCJCQT-SESVDKBCSA-N 360.498 2.893 0 50 FFAA COc1ccc(C)cc1CNC(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 1875255487 OFRFXHMVYSSNMA-QGZVFWFLSA-N 373.497 2.938 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](CO)C23CCOCC3)c2nccc(C)c2c1 1875313231 MKCMNHABGRNVIF-INIZCTEOSA-N 354.450 2.855 0 50 FFAA CNC(=O)C[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC2(F)F)C1)c1ccccc1 1875315958 OXLBYKLFNLFOAB-OAGGEKHMSA-N 365.424 2.941 0 50 FFAA Cc1ccccc1[C@@H](OC[C@H](O)Cn1cncc(F)c1=O)c1ccccc1 1875309547 BVEWWOBBMJVIIO-XLIONFOSSA-N 368.408 2.858 0 50 FFAA COC[C@]1(CN=c2[nH]c(-c3cccnc3)nc3ccccc23)CCCO1 1875332595 AGJKPALIQDJTEF-HXUWFJFHSA-N 350.422 2.721 0 50 FFAA Cc1nc(N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)ccc1Br 1875399218 RTDNQGRQHGWRMT-MRVWCRGKSA-N 351.248 2.601 0 50 FFAA CC(C)(C)c1nc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)co1 878267490 YYJBBSGHBATBKO-UHFFFAOYSA-N 369.425 2.937 0 50 FFAA Cc1cnc(NC[C@]23CCC[C@H]2CN(C(=O)c2c(C)ccnc2O)C3)nc1 888103744 WYGXEDTXMJMXTQ-YWZLYKJASA-N 367.453 2.548 0 50 FFAA CCOc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2)cc1OC 3623033 WYZXESRVSVKNAW-INIZCTEOSA-N 373.405 2.805 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](n2cccn2)C1 2325703916 OMVFTSNRNSQNLN-SFHVURJKSA-N 367.453 2.557 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C[C@H]3COC4(CCNCC4)C3)cc2)c1C 2325795408 DPVMOOLDFNRQPQ-QGZVFWFLSA-N 368.481 2.976 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](F)C3CCCCC3)C2)n[nH]1 2325842961 NWDJUKKIRHGHEG-YOEHRIQHSA-N 364.465 2.782 0 50 FFAA CC(C)c1nc(-c2cnn3c2CCC[C@H]3C)n([C@@H]2CCS(=O)(=O)C2)n1 2325849389 NZNWDABFCDCVGP-CHWSQXEVSA-N 363.487 2.522 0 50 FFAA CN1CCn2nc(NS(=O)(=O)c3cccc(-c4cccs4)c3)cc2C1 2325859327 VNJUEAKJTCJLPD-UHFFFAOYSA-N 374.491 2.858 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@H](O)[C@@]1(O)CCOC1 2325860810 VIYMIGWLPZQDCG-RYQLBKOJSA-N 357.878 2.538 0 50 FFAA O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1Cc2cc(F)ccc2O1 131329575 SUGZYXCFTHRNQX-LJQANCHMSA-N 351.381 2.690 0 50 FFAA NC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 671588 HWTQPJTXKGKVLR-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(Br)cc1 1154296 JRVCBXQHSFLJKZ-UHFFFAOYSA-N 374.190 2.789 0 50 FFAA CC(C)n1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 2057280 UBRGEODVBHYTHJ-UHFFFAOYSA-N 358.467 2.729 0 50 FFAA NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583153 ASLOVDWQFVNFRC-GOSISDBHSA-N 354.406 2.717 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)c(C)c1 2848290 SGCZXEPEPXHJPJ-UHFFFAOYSA-N 361.463 2.930 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)C2(c3ccc(C)cc3)CC2)C1=O 2356168268 WXXALZIDGHNPAG-JOCHJYFZSA-N 370.493 2.657 0 50 FFAA COCC1(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)CCC1 2356168697 BOAVMNFIQKQOHF-JOCHJYFZSA-N 370.493 2.987 0 50 FFAA O=C(O)c1cccc(C(=O)c2ccc3c(c2)C(=O)N(c2cccnc2)C3=O)c1 4713490 BGXPIDORFNMBCC-UHFFFAOYSA-N 372.336 2.811 0 50 FFAA CCCOc1cc(Cl)c([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 4866584 XIDGYNKKPMTUOQ-HNNXBMFYSA-N 368.817 2.938 0 50 FFAA CC1=C(C(=O)O[C@H](C)c2ccoc2)C=C[C@]2(C)[C@@H]1[C@H]1C=C[C@]2(O)C(=O)O1 25540750 QIINWPYOPMCLOJ-VLFYUQFDSA-N 356.374 2.619 0 50 FFAA C[C@H](Cn1cncn1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 55060848 SEUCBRXKIZDZPZ-OAHLLOKOSA-N 355.442 2.569 0 50 FFAA CCN(Cc1nc(COC)no1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 55575327 LAKKGSPSTDNKTR-LLVKDONJSA-N 353.806 2.685 0 50 FFAA CCN(CC)C(=O)c1cn(C2CCN(c3ccc(Cl)cn3)CC2)nn1 67975717 INQLTIACRSLHOM-UHFFFAOYSA-N 362.865 2.650 0 50 FFAA CCC(=O)c1ccc(OCC(=O)N2CCC3(CCNC(=O)CC3)CC2)cc1 67982951 GFUKYGRFDAMHKZ-UHFFFAOYSA-N 372.465 2.567 0 50 FFAA O=C(O)CSc1nnc(Cc2c[nH]c3ccccc23)n1-c1cccnc1 67855649 NBCBRRZRMXIPST-UHFFFAOYSA-N 365.418 2.911 0 50 FFAA COc1ccccc1N1CCC(NC(=O)c2ccc(NC(N)=O)cc2)CC1 138716398 POVGSQFTUMDYMP-UHFFFAOYSA-N 368.437 2.585 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)c3cnccn3)CC2)cc1 11706557 ODGYDGQVHDQRRO-UHFFFAOYSA-N 368.481 2.512 0 50 FFAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CCCOCC3)cc2c1 72453491 RSTFQZMCUIIUHL-IBGZPJMESA-N 355.482 2.727 0 50 FFAA Cc1nc[nH]c1CN1CCCn2nc(CN3CCC(F)(F)CC3)cc2C1 72173801 KJHJXOXJXGLHTI-UHFFFAOYSA-N 364.444 2.552 0 50 FFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccc(Cl)cn1 328646098 SIZCVQGRTSVMJN-LBPRGKRZSA-N 350.875 2.752 0 50 FFAA Cn1ccnc1-c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 363406618 OOYSIUFNDAERCM-UHFFFAOYSA-N 355.419 2.743 0 50 FFAA Cn1ccnc1[C@@H](NCc1ccc(-n2cccn2)cc1)C1CCOCC1 486845662 QGTFBKAIGTXLGQ-IBGZPJMESA-N 351.454 2.863 0 50 FFAA O=C(Cc1cccc(Br)c1)NCc1nncn1-c1ccccc1 124404847 VLMRMJPQZDGIDN-UHFFFAOYSA-N 371.238 2.889 0 50 FFAA CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1 36358455 QLGHLIGTIUWFMF-PMACEKPBSA-N 374.444 2.679 0 50 FFAA NC(=O)c1cc(OC2CCN(c3ncc(Cl)cc3Cl)CC2)ccn1 367429071 FAPBDTHYVMLHPT-UHFFFAOYSA-N 367.236 2.930 0 50 FFAA c1ccc2sc([C@@H]3CCCN(Cc4cc5n(n4)CCNC5)C3)nc2c1 72157410 JCILESXWFOFKSJ-CQSZACIVSA-N 353.495 2.976 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(OCc2ccccc2)cc1 261591211 LTWNVUHOFFMVAX-QGZVFWFLSA-N 355.390 2.581 0 50 FFAA O=C(c1cccs1)N1CCn2nc(CN3CCC(F)(F)CC3)cc2C1 72421641 ANHGPKCNQPQISG-UHFFFAOYSA-N 366.437 2.832 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280158295 UQAYNCATRJOHSM-CULRUXPZSA-N 357.372 2.891 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(-c3ccccc3)n2C)on1 215976658 ANJUZDMFTAJYMG-AEFFLSMTSA-N 365.433 2.976 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccn(C)c2=O)cc1 77436894 ORIKLHMMJHKNMS-IBGZPJMESA-N 353.466 2.814 0 50 FFAA Cc1cccc2nc(C3CCN(C(=O)NCC[C@@H]4CCC(=O)N4)CC3)oc12 377259502 LXWKPBXTAMUXRB-HNNXBMFYSA-N 370.453 2.694 0 50 FFAA Cc1nccn1CCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 216112359 RHVYEYHPCIOIEJ-UHFFFAOYSA-N 352.482 2.631 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)[C@]1(c2ccccc2F)CC1(C)C 216476511 PILGCFYJRBYUBO-HXUWFJFHSA-N 359.445 2.902 0 50 FFAA CN(C)[C@H]1CCCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 82160421 VDLXPDLZMPRZRU-FQEVSTJZSA-N 373.541 2.994 0 50 FFAA Cc1cc(CNC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)n[nH]1 223758199 PCEZUWPQKXJCPJ-UHFFFAOYSA-N 369.446 2.622 0 50 FFAA O=C(Nc1c(F)cccc1Br)c1cccc(-n2cnnn2)c1 175525886 LCHIQBZMQHLPSM-UHFFFAOYSA-N 362.162 2.816 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2=O)cc1 82087833 PEMYGTSTEVQLPO-INIZCTEOSA-N 354.454 2.751 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cnc(Nc2ccccc2)nc1 222346885 KZBTYWLMDGTCAZ-QZTJIDSGSA-N 368.437 2.534 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 237533124 ULZDMPHAJDPTBI-AAEUAGOBSA-N 359.451 2.533 0 50 FFAA COc1ccccc1COc1cccc([C@H](C(=O)O)N2CCOCC2)c1 95362586 LNQRFWIGMZLANE-LJQANCHMSA-N 357.406 2.732 0 50 FFAA CCN(C(=O)CCc1ccc(-c2cccs2)o1)[C@@H]1CCS(=O)(=O)C1 91738046 NIFPOEUJWCNZLU-CYBMUJFWSA-N 367.492 2.976 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1ccc(-n2ccnc2)cc1 97776200 WJBBSWGQNGKLNG-UHFFFAOYSA-N 370.522 2.962 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc(Cn2cccn2)c1 91270594 OFLMGFKQZIUENF-GOSISDBHSA-N 363.417 2.891 0 50 FFAA COC[C@H](NC(=O)c1ccc(-c2nccn2C(C)C)cc1)c1ccnn1C 534659099 VZLDLSQDRRMAFP-KRWDZBQOSA-N 367.453 2.982 0 50 FFAA COC(=O)c1cn([C@@H]2CCCc3c2[nH]c2ccccc32)cc2c(=O)[nH]nc1-2 263587630 JHKNIRAUZSQJRQ-MRXNPFEDSA-N 362.389 2.870 0 50 FFAA O=C(c1ccc2ccccc2c1)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1940195466 FQMZNYJLNDERMS-GHTZIAJQSA-N 353.418 2.918 0 50 FFAA CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccc(O)c1)CCO2 299775773 JLQCIGIXAXLMBW-NRFANRHFSA-N 356.466 2.556 0 50 FFAA Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C)n1 299757940 LLGVSHSJECHKLG-UHFFFAOYSA-N 374.404 2.864 0 50 FFAA CCCc1nnsc1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 299772657 ASNZESKMRYWFGU-JTQLQIEISA-N 364.858 2.679 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc(-n3cccn3)cc2)nc2c1CCC2 299797630 OHWSMSNCSRSNNO-UHFFFAOYSA-N 362.437 2.824 0 50 FFAA COC1CCN(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1 299770366 QMPFMEDAMXMTGT-UHFFFAOYSA-N 353.850 2.819 0 50 FFAA Nc1nc(CCCN[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)cs1 827597777 KGPSVPMUCPMOSM-MRXNPFEDSA-N 358.511 2.829 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)c1ccc(-c3nc(C)n(C)n3)cc1)C2 584899393 REUZIQZXIPHNEB-UHFFFAOYSA-N 362.433 2.998 0 50 FFAA O=C1C[C@@H](C(=O)NCCOc2cccc3cccnc23)c2ccccc2N1 828320508 PRYLBVIRNPNLTC-MRXNPFEDSA-N 361.401 2.856 0 50 FFAA CCc1nc([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c3ccccc23)no1 1328983394 CWKDAJHAPUXVGO-MRXNPFEDSA-N 366.421 2.851 0 50 FFAA CCc1nc(C)c(C(=O)N(CCOC)CCOc2ccccc2F)o1 952988212 CBJGZQUEZQJRIX-UHFFFAOYSA-N 350.390 2.852 0 50 FFAA COc1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1C(=O)N(C)C 952963969 LVFHRMPEHZMRBV-UHFFFAOYSA-N 371.437 2.838 0 50 FFAA Cc1ncnc(N2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)c1C 952985509 BUUNABVDMCXIIB-UHFFFAOYSA-N 363.421 2.711 0 50 FFAA CCOc1cc(C(=O)N[C@H]2CCC[C@@H](SC)C2)ccc1OCC(=O)O 268950098 PQILPCDQLDGXMG-UONOGXRCSA-N 367.467 2.953 0 50 FFAA Cc1nscc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 271284313 CTTBRHKZCKHNGN-UHFFFAOYSA-N 373.434 2.671 0 50 FFAA Cc1nc2c(c(NCc3ccc(N4CCCS4(=O)=O)cc3)n1)CCCC2 274041281 JLDMJOVFHAAWHX-UHFFFAOYSA-N 372.494 2.816 0 50 FFAA CC(C)N(C1CC1)S(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 186338929 NTCGAFBDPKUAGP-UHFFFAOYSA-N 357.447 2.945 0 50 FFAA Cc1ccc(CC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)cn1 187107838 WPUMSNVUEMUCAY-UHFFFAOYSA-N 367.478 2.594 0 50 FFAA Cc1cc(S(=O)(=O)NCC2(Cn3cccn3)CC2)c(Cl)cc1F 1506419344 ZHYOPGLKARRYGI-UHFFFAOYSA-N 357.838 2.743 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N(Cc1noc(C)n1)C(C)C 1506409394 WWJXRXMTMDWBGG-UHFFFAOYSA-N 353.444 2.603 0 50 FFAA Fc1cc(Cl)cnc1N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1506399931 ROYHCOKDUXEDHY-RPLTXICNSA-N 372.875 2.854 0 50 FFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCCN2CCOCC2)c1C 1506428525 PGSKLJAROLUYQA-UHFFFAOYSA-N 368.543 2.602 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CC2CCCC2)cc1OC 1529112629 QGVDDWYYDRTAMX-UYAOXDASSA-N 363.454 2.545 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1C 1704340034 DFAGNNSJDUPIJD-IXDOHACOSA-N 358.482 2.834 0 50 FFAA C[C@@H](CNCc1cccnc1N1CCOCC1)Cc1ccc2c(c1)OCO2 12052755 BXTCTWFDLPJMMC-MRXNPFEDSA-N 369.465 2.615 0 50 FFAA COc1ncccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1 12307812 NYWFIWVSMKYEMU-UHFFFAOYSA-N 350.378 2.911 0 50 FFAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCN2CCCCC2=O)C1 12438833 RNWCOVMPYLXGQF-LJQANCHMSA-N 357.498 2.512 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 15079405 DJTQQRDPBIQDDF-HNNXBMFYSA-N 353.401 2.970 0 50 FFAA O=C(c1nccc2ccccc12)N1CCN(Cc2ccccc2CO)CC1 19741522 VULBRSQQTVGYGA-UHFFFAOYSA-N 361.445 2.685 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772759 PJGQXNJPZGCMLA-ZDUSSCGKSA-N 364.405 2.872 0 50 FFAA COc1ccc(CN(C)C(=O)[C@@H]2CCn3nccc3C2)c2cccnc12 1857720051 BRTQYIHFBVFJNG-CQSZACIVSA-N 350.422 2.661 0 50 FFAA COC[C@@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1 113602436 OHRJHMHBUPKSSM-MRXNPFEDSA-N 364.461 2.942 0 50 FFAA C[C@H](c1nnnn1C1CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 248836119 JVZIZADMHPOTNB-MEBBXXQBSA-N 351.813 2.935 0 50 FFAA O=C(O)C1CCC(NS(=O)(=O)c2ccccc2OC(F)(F)F)CC1 261942505 UZPZIEFGBVMZRQ-UHFFFAOYSA-N 367.345 2.507 0 50 FFAA CCc1cc(N2CCC(NC(=O)NCc3sc(C)nc3C)CC2)ncn1 267243265 YLUINPYBTFAPNW-UHFFFAOYSA-N 374.514 2.581 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)cc1C 952849649 ZFWHRCCCYHXVPD-GVDBMIGSSA-N 355.438 2.848 0 50 FFAA O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1ccc2c(c1)C(=O)NC2=O 1875264744 RJFMUBXVWJFDRW-CYBMUJFWSA-N 354.328 2.811 0 50 FFAA O=C(NC1CC(Nc2cc(O)ncn2)C1)[C@@H]1CCc2c(Cl)cccc21 1875407386 YNYCVNFYCGHGIO-QIMFLAQGSA-N 358.829 2.625 0 50 FFAA O=C(c1cc2c(s1)CCNC2)N1CC[C@@H](n2ncc3ccccc32)C1 888101536 HFXXYBHQHIZHII-OAHLLOKOSA-N 352.463 2.831 0 50 FFAA Cc1cc(C)n(CCC(=O)Nc2n[nH]c(C)c2-c2cccs2)c(=O)n1 2100543534 UHEHWTWYWCFAJT-UHFFFAOYSA-N 357.439 2.649 0 50 FFAA Cc1ccccc1CC(C)(C)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45302447 NWQXBEWHTDRJIP-QGZVFWFLSA-N 370.449 2.676 0 50 FFAA C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)ccc2CN1 2325814021 DUZIRYWWEWOHEG-NWDGAFQWSA-N 351.406 2.693 0 50 FFAA O=C(NCC[C@@H]1CCCN(C(=O)Cc2cc(C3CC3)on2)CC1)C1CC1 2325867985 KWIPTVFGUXEZAP-AWEZNQCLSA-N 359.470 2.640 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCCC[C@@H]3C[C@@H](C)O)ccc21 2325889256 HQVVERQDSPBTHW-CRAIPNDOSA-N 356.466 2.917 0 50 FFAA Cc1cc(NC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)ccc1C(=O)O 901481033 RJFBQZINEQHGHP-HNNXBMFYSA-N 352.390 2.794 0 50 FFAA C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 758782 AKXWJITZFFEMEX-VIFPVBQESA-N 358.419 2.953 0 50 FFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cl)cn2)c1 980413 XKINNVJWDQVSIK-UHFFFAOYSA-N 351.815 2.879 0 50 FFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1ccccc1 990616 LGELCDLEWZYFFS-UHFFFAOYSA-N 374.190 2.789 0 50 FFAA Clc1cc(-n2cnnn2)ccc1-c1ccc(-n2cnnn2)cc1Cl 1261123 UAONVJIIYAEPLS-UHFFFAOYSA-N 359.180 2.612 0 50 FFAA COc1cc(OC)c([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 2469417 DOQGOLXSMIOBGD-JTQLQIEISA-N 357.362 2.915 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ccn(C)c(=O)c3)C2)[C@@H]2CCCCN12 2356159009 IDZIJORWTNXPTN-RDGPPVDQSA-N 357.498 2.500 0 50 FFAA CC(C)Cc1cc(-c2nnc3n2[C@@H](Cc2ccccc2)C(=O)N(C)C3)no1 2356161282 OBRWVWYVMCZDFW-KRWDZBQOSA-N 365.437 2.887 0 50 FFAA CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 2939727 JKPSCSUSMPUBGH-UHFFFAOYSA-N 365.282 2.626 0 50 FFAA COc1ccc(-c2cc(CNC(=O)c3ccc4c(n3)N(C)CC4)no2)cc1 2356168856 FAANAJHDRYYNEN-UHFFFAOYSA-N 364.405 2.668 0 50 FFAA Cn1ccnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 9928129 GTJIXBXQZVALTJ-UHFFFAOYSA-N 366.874 2.641 0 50 FFAA CCCOc1cc(Cl)c(CN[C@@H](C)c2n[nH]c(=O)[nH]2)cc1OCC 55054737 ZUBAEDXGIZDNJO-JTQLQIEISA-N 354.838 2.790 0 50 FFAA CCSc1nc(CC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 55392952 KFYKDMJVWXNFJS-LBPRGKRZSA-N 367.540 2.705 0 50 FFAA O=C(O)CNc1ncc(CN(Cc2ccsc2)Cc2ccco2)cn1 55211711 MLWHSMHPEWTJQA-UHFFFAOYSA-N 358.423 2.830 0 50 FFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)Nc4ncccc4O)c(=O)n1c23 100663048 VJTRPQFKKYYOEQ-SECBINFHSA-N 369.352 2.706 0 50 FFAA COc1ccc2cc(CN3CCC(n4cc(CO)nn4)CC3)ccc2c1 23398626 YDDDNKOYYPCYRY-UHFFFAOYSA-N 352.438 2.769 0 50 FFAA CCn1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(C)n1 23153480 CXYLORUPXFNFEM-QFIPXVFZSA-N 370.541 2.713 0 50 FFAA c1nc(NCc2n[nH]c3c2CCCCC3)c2c3c(sc2n1)CNCC3 67840719 HTHGZFPDYLBJMP-UHFFFAOYSA-N 354.483 2.941 0 50 FFAA COc1cc2cc(CN3CCC[C@@H]3c3nc(C)no3)c(=O)[nH]c2cc1OC 67741184 DMWMGEBOBHXIOQ-OAHLLOKOSA-N 370.409 2.574 0 50 FFAA Cc1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@H]32)c2c(C)noc2n1 215338962 ZPLPCZPIHPXHRU-GOSISDBHSA-N 362.389 2.840 0 50 FFAA Cn1cc(I)c(C(=O)Nc2ccc3c(c2)CCC3)n1 2764461 NDMURDCGBAXLFP-UHFFFAOYSA-N 367.190 2.766 0 50 FFAA Cc1csc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 77521791 WBTGWUGQXQFNTO-CQSZACIVSA-N 356.513 2.612 0 50 FFAA COc1ccnc(CN2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c1OC 71498747 PFPDDDBGVNZWLM-KRWDZBQOSA-N 361.486 2.568 0 50 FFAA CN(C)c1nc2ccc(NC(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2o1 125403777 IPKUMIDEUKDOKJ-LBPRGKRZSA-N 354.414 2.649 0 50 FFAA Cc1nc2c(c(N3CCC([C@@H](O)CCc4ccccc4)CC3)n1)CNC2 72145579 YDSSODSKXLEKPT-FQEVSTJZSA-N 352.482 2.598 0 50 FFAA CC[C@@H](CO)Nc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72417986 HDQBWZODHAKPEB-AWEZNQCLSA-N 360.889 2.982 0 50 FFAA CC(C)C(=O)NCc1ccc(C(=O)N2CCC3(CCOCC3)CC2)cc1 71749962 BBBZBYIBDHCWAZ-UHFFFAOYSA-N 358.482 2.992 0 50 FFAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@@H]1CC=CCC1)C2 71479685 BARXTVSWISKXBQ-OAHLLOKOSA-N 363.465 2.846 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3c(C)nc(N)nc3C)C2)c1 72454553 YGIZNMRXBOAVNC-QGZVFWFLSA-N 368.481 2.844 0 50 FFAA Cc1ncc([C@H](C)NCCC(=O)N2CCOc3ccccc3C2)c(C)n1 370541882 LETXJGWMVPFDGR-AWEZNQCLSA-N 354.454 2.555 0 50 FFAA CC(C)Oc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1 77470590 MERQPEJZBUULJR-OAQYLSRUSA-N 360.498 2.671 0 50 FFAA C[C@@](NC(=O)Cc1ccccc1C(F)(F)F)(C(N)=O)c1ccccc1 171483066 VTSIEHRDVZNFLG-KRWDZBQOSA-N 350.340 2.765 0 50 FFAA Cn1cc(SCC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)c2ccccc21 72129186 BOFKVESAGIJOHG-LJQANCHMSA-N 373.478 2.762 0 50 FFAA CC(C)OC[C@H]1CN(Cc2ccc(OCc3nccn3C)cc2)CCO1 373488326 CONWXCIXWZLXTE-LJQANCHMSA-N 359.470 2.625 0 50 FFAA CCCc1cc(C(=O)N2CCC3(CC2)CN([C@H](C)CCC)C(=O)O3)[nH]n1 72447741 CAOXIEDAYLYPCN-CQSZACIVSA-N 362.474 2.978 0 50 FFAA CCn1cc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c2ccccc21 172378265 YFPBNBBTPXHYHD-INIZCTEOSA-N 355.482 2.892 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2c1ccc(F)cc1 136194444 OCEJGXCUTKQDTA-OKZBNKHCSA-N 369.371 2.500 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc4nccnc4c3)CC2=O)cc1 82121127 OHRJYLPHXMLIEH-HNNXBMFYSA-N 360.417 2.816 0 50 FFAA NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 174282525 WESHFTPLUQJRTJ-HNNXBMFYSA-N 353.422 2.992 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnc3sccn3c2=O)no1 426578714 OGFFTOUDTBFRMC-ZDUSSCGKSA-N 358.423 2.845 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)c1nc2ccccc2n1C 284607491 CACSITOXNZAJFY-CZUORRHYSA-N 353.426 2.530 0 50 FFAA CCOC(=O)c1ccc(-c2cccc(C(=O)N3CCN(C)CC3)c2)s1 426571417 GCESQKGKOQZIKE-UHFFFAOYSA-N 358.463 2.979 0 50 FFAA COc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@H]2C)ccc1O 82114865 NMLWOQAXNGXVEI-GFCCVEGCSA-N 374.824 2.932 0 50 FFAA Cc1cccc(N2C[C@H](C)N(C(=O)Cc3ccc(O)c(F)c3)CC2=O)c1 82108566 VSCRHUWYVKYAMF-AWEZNQCLSA-N 356.397 2.646 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H](c3ccc(F)cc3)N(C)C)CC2=O)cc1 82137003 MKKBOUGRUYQENU-HXUWFJFHSA-N 369.440 2.612 0 50 FFAA CC(C)c1ccc(CCCC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)O)cc1 222574051 QOTMRRZOOODVIF-MSOLQXFVSA-N 363.454 2.508 0 50 FFAA c1ccc(-n2nnnc2Cn2ccnc2-c2ccc(-c3cc[nH]n3)o2)cc1 82133529 IQCFHVRPYNEMCT-UHFFFAOYSA-N 358.365 2.557 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)c(F)cc3O)c2)C1 426503101 GQWNHDWRBHZTQL-ZDUSSCGKSA-N 360.360 2.675 0 50 FFAA CN(CCc1noc(C2CC2)n1)C(=O)Cn1ccnc1-c1ccccc1 95525672 AHPGDKJKFJHHKF-UHFFFAOYSA-N 351.410 2.512 0 50 FFAA Nc1nnc(CNC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)s1 96151321 KMPPRABHSCICAA-UHFFFAOYSA-N 361.427 2.541 0 50 FFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cccc(-n2cnnc2)n1 97660300 HPZPTGUADMTBPK-AWEZNQCLSA-N 373.420 2.886 0 50 FFAA CCCn1ncc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1C 91664014 PJEQQSSDLAZVIN-HXUWFJFHSA-N 353.422 2.852 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)oc2c1 91933348 TXBIQDPLTDOOAI-UHFFFAOYSA-N 367.405 2.676 0 50 FFAA C[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1nncn1C1CCCC1 95385915 UGFOKDXCXSYSEO-ZDUSSCGKSA-N 363.425 2.736 0 50 FFAA CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H](C(=O)O)c1cccnc1 95390883 ZEVRWTXLGIPZJH-LJQANCHMSA-N 367.449 2.965 0 50 FFAA COc1cccc(C(=O)N2CCC(c3nc(-c4cccnn4)no3)CC2)c1 91663749 UEVDAKCZWMMURP-UHFFFAOYSA-N 365.393 2.555 0 50 FFAA O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CS(=O)(=O)c2ccccc21 180882336 NXWDAVYKNUYRCW-KRWDZBQOSA-N 354.431 2.745 0 50 FFAA COc1ccc(OCCNC(=O)COc2cccc3c2ccn3C)cc1 252484624 GBFGQVASOILTJC-UHFFFAOYSA-N 354.406 2.761 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 299749775 LLSFFPFTUUQAQP-OAHLLOKOSA-N 363.316 2.683 0 50 FFAA O=C(NCc1cccnc1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263618513 UDQBNUPCUUFGFY-INIZCTEOSA-N 369.812 2.528 0 50 FFAA CCn1nc(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)c2ccccc21 534648005 LVEALJSCJZZOOR-MRXNPFEDSA-N 366.469 2.875 0 50 FFAA CCN(C(=O)c1ccc(Cl)cc1OCCCN)[C@@H]1CCCC[C@H]1O 299773077 CPAPGBFYCXVYPN-HZPDHXFCSA-N 354.878 2.833 0 50 FFAA Cc1nc(NCc2c(C)nn(C)c2Cl)sc1-c1ccn(CCO)n1 299787858 YFQUSDCOWTWXQC-UHFFFAOYSA-N 366.878 2.615 0 50 FFAA C[C@H](c1nc(Cc2cccs2)nn1-c1ccncc1)N1CCN(C)CC1 823789434 PTFWZJWYLPBLQJ-OAHLLOKOSA-N 368.510 2.623 0 50 FFAA COc1ccc2[nH]c(CNC(=O)C3(N4CCOCC4)CCCCC3)cc2c1 670468936 WRSFGSZAGGVLRM-UHFFFAOYSA-N 371.481 2.828 0 50 FFAA C[C@@H](NC(=O)c1c2c(nn1C)CCCC2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670468144 CDHAIWBDPZSADR-WSACYYNKSA-N 357.498 2.749 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)C(C)(C)NC(=O)c3cccs3)cc2[nH]1 952966424 WMTNJKPPPDBDFC-SNVBAGLBSA-N 372.450 2.825 0 50 FFAA C[C@H](c1ccccc1)N1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 301319613 RDWCDBDMBNLKOF-OAHLLOKOSA-N 369.490 2.951 0 50 FFAA COc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(OC)c3)C2)c1 408525669 PPTJPGSSBFHTFA-GOSISDBHSA-N 360.435 2.815 0 50 FFAA CC(C)(C)O[C@@H](C(=O)NCCNC(=O)c1ccccc1N)c1ccccc1 390832666 JEZZHTQWBRSPIX-GOSISDBHSA-N 369.465 2.671 0 50 FFAA COC(=O)[C@@H](NCc1cc2ccccc2[nH]c1=O)c1ccc(F)c(C)c1 170082324 CSJMXYCXCCVUNW-SFHVURJKSA-N 354.381 2.980 0 50 FFAA CCN(CC)C(=O)CSCc1ccc(OCCOCCOC)cc1 170613020 WKUCDJAGRNCPDS-UHFFFAOYSA-N 355.500 2.830 0 50 FFAA CCc1nn(C)c(CC)c1CC(=O)NC[C@@H](C)N1CCc2sccc2C1 188428588 PNXONXRBUQNCST-CQSZACIVSA-N 374.554 2.712 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 188835454 SJGDVDCHPMOUFM-CYBMUJFWSA-N 362.476 2.662 0 50 FFAA O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCn2c1nc1ccccc12 194118066 RDXUJIATGAKQFK-LBPRGKRZSA-N 352.360 2.657 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)CCc3c(C)nn(C)c3C)C[C@@H]2N(C)C)cc1 216740738 OJAFQJLBLMINIP-RTWAWAEBSA-N 368.525 2.834 0 50 FFAA CSCc1noc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1704343954 HYVBYHVJPHDLGW-RHSMWYFYSA-N 370.478 2.516 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1 11661239 BJGAJSLAFMHIEZ-NRFANRHFSA-N 369.465 2.931 0 50 FFAA COCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12703421 BXUNZFLCQMKXAT-LJQANCHMSA-N 352.425 2.816 0 50 FFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H](NCC(F)(F)F)CC2 14741389 AETMUURYIUUMAV-CYBMUJFWSA-N 372.435 2.832 0 50 FFAA O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)C2CCCCC2)nn1 14995155 FWGNQXRIOYOHKF-KRWDZBQOSA-N 373.501 2.522 0 50 FFAA COc1cccc(C(=O)NC[C@H]2CCCN(CCCSC)C2)c1OC 15074669 JAQYHQGYBMFAOM-OAHLLOKOSA-N 366.527 2.899 0 50 FFAA Cc1ccc2c(Cl)c(C(=O)N3CCN(S(C)(=O)=O)CC3)sc2c1 16603990 WZGDRNLEUGBYQR-UHFFFAOYSA-N 372.899 2.581 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCN(CCc2ccncc2)CC1 19812941 XDMLNCYYLXXVAZ-KRWDZBQOSA-N 370.522 2.568 0 50 FFAA CCCc1noc(-c2cccn3c(CNC(=O)C4CCCCC4)nnc23)n1 169776043 KEXGRMPAPPZAEQ-UHFFFAOYSA-N 368.441 2.928 0 50 FFAA Cn1cc([C@H]2CN(c3nccc4c(Br)cccc34)C[C@@H]2N)cn1 1857530955 GDDCSEXRJLZNKJ-ZBFHGGJFSA-N 372.270 2.662 0 50 FFAA O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCc2ccc(F)cc2C1 121520141 BKQWBFCDRZRPLG-UHFFFAOYSA-N 365.408 2.970 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)CCO2)o1 328613772 UDAZUHYXRPQPGT-ILXRZTDVSA-N 351.447 2.688 0 50 FFAA O=C1[C@@H](NC(=O)C2(O)CCCC2)CCCN1c1ccc(Cl)cc1Cl 331523535 ACTKCNUUMSMSAV-ZDUSSCGKSA-N 371.264 2.910 0 50 FFAA CC[C@@H]1CN(Cc2cccc(OC)c2OCCn2ccnc2)CC[C@]1(C)O 247901496 FUFKXPGQGVTYPB-NQIIRXRSSA-N 373.497 2.954 0 50 FFAA CN1C[C@H](NC(=O)c2cnc(O)cc2C(F)(F)F)Cc2ccccc21 913051723 QXPSBGNMKKJOCR-LLVKDONJSA-N 351.328 2.597 0 50 FFAA CCn1nnc2c1CC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C2 1875254566 ZLKPWZYHRXCFPY-GFCCVEGCSA-N 352.360 2.738 0 50 FFAA CCc1cc(C(=O)N2C[C@H](NC(=O)c3c(C)cccc3Cl)C[C@H]2C)n[nH]1 1875308219 UXHJEYKEDAUUDV-TZMCWYRMSA-N 374.872 2.967 0 50 FFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCC12CCC(CC1)C2 1875393598 QACTWAGCWBHLNN-QXQSWXIBSA-N 357.498 2.894 0 50 FFAA Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2sc(C)nc2C)cc1 887900486 PXNVREMAKUYENW-SFHVURJKSA-N 373.522 2.801 0 50 FFAA COc1ncc(CNC(=O)N2CCC[C@H](OC3CCC3)C2)cc1Cl 888093920 HVXXPZMYJWMRSM-AWEZNQCLSA-N 353.850 2.987 0 50 FFAA O=C(c1cnc(O)c(Cl)c1)N1CCCN(c2nc3ccccc3o2)CC1 2100539593 PEKNVZOMYQBHNV-UHFFFAOYSA-N 372.812 2.934 0 50 FFAA CCc1ccc(/C(C)=C/C(=O)N2CCC[C@H](n3ccc(O)nc3=O)C2)cc1 2325797014 RXMPOTUCUFOMCQ-DUVHGLKDSA-N 367.449 2.778 0 50 FFAA C[S@](=O)(=NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)[C@H]1CC[C@@H](O)C1 2325803452 HUPSMEZAEXTWJS-BLJAJPOJSA-N 365.499 2.590 0 50 FFAA Cc1c(NC(=O)N[C@@]23CCC[C@H]2NCC3)cnn1-c1ccc(F)cc1F 873331871 CRYQSMJMJFJFLO-SJLPKXTDSA-N 361.396 2.865 0 50 FFAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)O1 901776227 OASAILPHQKBNBJ-OLZOCXBDSA-N 366.826 2.958 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)c2ccccc2Cn2cncn2)ccc1F 136585096 XKRVOKAWLHZZFT-UHFFFAOYSA-N 365.368 2.842 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C 1060805 BYTUULORBPZBGP-INIZCTEOSA-N 352.500 2.716 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC(C)=O)cc1 1067010 KUIWEVKTQIIMNA-UHFFFAOYSA-N 373.361 2.668 0 50 FFAA CCCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCOCC2)o1 2832947 FGXKRCTZKHSDNF-UHFFFAOYSA-N 364.467 2.995 0 50 FFAA CCOC(=O)CNC(=S)Nc1ccc(Br)cc1Cl 2855850 GMBBMLNGDVKLOH-UHFFFAOYSA-N 351.653 2.952 0 50 FFAA CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 3017560 FGKUOKOVEJEPGT-UHFFFAOYSA-N 367.405 2.994 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)n3)CC2)cc1 6702240 MJGCIMOVFJTLFW-UHFFFAOYSA-N 373.478 2.738 0 50 FFAA Cc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCCC3=O)c2)c1 55404029 OVHCJJPWJKOEPQ-UHFFFAOYSA-N 351.406 2.808 0 50 FFAA CCOc1cccc(CN(CCO)C(=O)c2[nH]nc3c2C[C@H](C)CC3)c1 55371060 UUMCGTAGKBASCD-CQSZACIVSA-N 357.454 2.568 0 50 FFAA CC(=O)N(C)[C@@H]1CCN(Cc2cccc(C(=O)Nc3cncc(C)c3)c2)C1 67740028 MJFMKUASSSYDCC-HXUWFJFHSA-N 366.465 2.695 0 50 FFAA O=C1[C@H](C2CCOCC2)N=C(O)N1Cc1ccsc1Br 329336005 XXHNWGWCYKYETF-JTQLQIEISA-N 359.245 2.562 0 50 FFAA OCC[C@H]1CN(Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 22932911 RSLPVPHJJMSIAQ-NRFANRHFSA-N 370.468 2.829 0 50 FFAA Cc1cc([C@H]2CCCN(C(=O)Nc3cc([C@@H]4CCCO4)nn3C)C2)[nH]n1 283588940 LOGACGSQYPHKJU-BBRMVZONSA-N 358.446 2.715 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCn3c(C(N)=O)cnc3C2)cc1 67541625 NOQLNDHEFJRLOU-UHFFFAOYSA-N 374.444 2.537 0 50 FFAA COC(=O)C12CN(Cc3ccccc3)CC1CN(Cc1ccccc1)C2 4203532 UCVKDBPNKYUAOE-UHFFFAOYSA-N 350.462 2.794 0 50 FFAA CCn1ncc(-n2c(S)nnc2Cn2nc(C(F)(F)F)cc2C)c1C 8339758 SROPZFPTXAGHMD-UHFFFAOYSA-N 371.392 2.653 0 50 FFAA CN(C(=O)c1cc(N2CCOCC2)ccn1)C1C2CC3CC(C2)CC1C3 129439357 CLIFJQBLPKXUKL-UHFFFAOYSA-N 355.482 2.815 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@](CCCc2ccccc2)(C(=O)O)C1 71750215 SYKMVULXHMYLCO-NRFANRHFSA-N 368.433 2.705 0 50 FFAA CCOc1cc2c(cc1CN1CCN(C(=O)c3ccc[nH]3)CC1)CCC2 216086300 RZHFFCQOTKMEMB-UHFFFAOYSA-N 353.466 2.860 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@@H]1c1ccncc1 219983456 GGXSQVUWSDDYOZ-KRWDZBQOSA-N 356.861 2.902 0 50 FFAA Cc1nccnc1N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72475461 AWMBPJHLYYFHLM-HXUWFJFHSA-N 351.454 2.589 0 50 FFAA C[C@@H](C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CCOCC1 153069677 FRAQZHOGXVAACD-LLVKDONJSA-N 359.405 2.680 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3csc(C(C)=O)c3)C2)CCC1=O 77287667 RXWAHPIRXFNQTD-LJQANCHMSA-N 364.511 2.802 0 50 FFAA O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccnc(C(=O)O)c1 261798151 LOSSWBQOTWCIQU-DLBZAZTESA-N 356.378 2.714 0 50 FFAA COc1ccc2c(c1)N(S(=O)(=O)c1sccc1OC)CCC2=O 375680807 SGIOYYNINNMNHX-UHFFFAOYSA-N 353.421 2.547 0 50 FFAA CCN1CCC(N(C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)CC1 216056020 XFXNBBUJYNNXIW-UHFFFAOYSA-N 372.601 2.967 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c1 72430001 YYVUZAOORYGSSJ-UHFFFAOYSA-N 358.482 2.617 0 50 FFAA COc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)n1 71712047 VJUMMAWOTLCFRS-GFCCVEGCSA-N 355.225 2.952 0 50 FFAA Cc1ncsc1CCC(=O)NCCc1nc(Cc2ccccc2)no1 82137271 MGJCMOLDNCVYCE-UHFFFAOYSA-N 356.451 2.717 0 50 FFAA COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1ccncc1F)CC2 48441248 TWRSQFKKSXGGTN-UHFFFAOYSA-N 352.369 2.818 0 50 FFAA Cc1cccc(CN2CCN(c3cc([C@H]4CCOC4)nc(C)n3)CC2)c1 426370903 DFOSRONUDNUNQJ-IBGZPJMESA-N 352.482 2.920 0 50 FFAA CCC[C@@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C[C@H]1N(C)C 82137533 NSUKAVZGZPQBJS-DNVCBOLYSA-N 356.470 2.888 0 50 FFAA COc1ccc(Cc2cc(C(=O)N[C@H](C)c3cn(C)nc3C)on2)cc1 19836552 NIQBFXGLFNNCMZ-GFCCVEGCSA-N 354.410 2.807 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 426641602 WDWMNGDLNZJRAN-IBGZPJMESA-N 352.482 2.995 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(c2ccc(C(C)=O)cn2)CC1 82121622 DYRHQSKNHODDNB-UHFFFAOYSA-N 370.405 2.795 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1Cc2ccccc2S1 95357110 BHXMUVZPFIOFBJ-HNNXBMFYSA-N 352.419 2.807 0 50 FFAA CCn1cc(CN(CCOC)C(=O)c2c[nH]nc2-c2ccccc2)cn1 97674454 UWTXIOXDOHVMBH-UHFFFAOYSA-N 353.426 2.582 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)N1CCC(N2CCSCC2)CC1 95515433 LMOOMUWSSDFDOH-UHFFFAOYSA-N 371.510 2.917 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCC(c4cc(=O)[nH]cn4)CC3)c(C)c2c1 97117033 BAJSUPPNXOVKPZ-UHFFFAOYSA-N 366.421 2.588 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@]2(CCOC2)C1 91819947 MWZVALRAMYACFU-FQEVSTJZSA-N 355.438 2.600 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCOC)C1 92077431 HXOLMDDUZZRIRQ-MRXNPFEDSA-N 357.454 2.948 0 50 FFAA CCc1nc(C)ccc1OCC(=O)NC[C@@H]1COc2cc(OC)ccc2C1 91351255 SREOQNMADSFLFM-OAHLLOKOSA-N 370.449 2.707 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CC(OCc3ccccc3)C1)C2 91724520 OXEPPFGHANOTFU-QGZVFWFLSA-N 353.418 2.674 0 50 FFAA Cc1ccc([C@@H](CCO)NC(=O)c2cnc(N)nc2-c2ccccc2)cc1 97743582 JULXRVGJTRJXBT-GOSISDBHSA-N 362.433 2.888 0 50 FFAA O=C(c1ccnc2ccccc12)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 92061690 IFELYEAHDDDZQY-FUHWJXTLSA-N 365.477 2.950 0 50 FFAA O=C(c1cncc(Cl)c1)N1CCN(c2ncnc3ccsc23)CC1 295856208 OBXNWURJCQWMJB-UHFFFAOYSA-N 359.842 2.702 0 50 FFAA Cc1c[nH]c(CN2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)n1 92021022 YWZXEKBDYPRMDM-UHFFFAOYSA-N 367.497 2.560 0 50 FFAA O=C(CN1CCc2ccccc21)N1CCC[C@H](OCc2ccccn2)C1 91381960 SGTGWJHOAKVTBU-IBGZPJMESA-N 351.450 2.652 0 50 FFAA COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1 97814864 QWRZSWOXHDDSNG-UHFFFAOYSA-N 357.385 2.772 0 50 FFAA COc1cccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 91713309 GWIIUSZASRJHQK-AZUAARDMSA-N 365.477 2.756 0 50 FFAA CN(CC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)Cc1ccccc1 244787760 QDEGVHYVVRJUHK-DSKINZAPSA-N 356.441 2.886 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 252536529 IURWRFFALMXWQE-OXFYSEKESA-N 362.445 2.547 0 50 FFAA O=C(O)[C@@]1(c2ccccc2)CCN(Cc2cnc(N3CCCCC3)nc2)C1 252489534 JSVKMZAHBHVJBR-NRFANRHFSA-N 366.465 2.695 0 50 FFAA O=S1(=O)CCCN1c1cccc(CNc2ncnc3ccccc23)c1 184841743 ZZJMZBLWVZPMCR-UHFFFAOYSA-N 354.435 2.782 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1cc2n(n1)C[C@H](c1ccc(F)cc1)OC2 263618020 QWXSWKVDSTVZKK-GOSISDBHSA-N 369.400 2.564 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3n[nH]c(COC)n3)cc2)C1 534646728 CUIUUXDKVPRACH-MRXNPFEDSA-N 358.442 2.649 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC=C(C)CC3)CC2)c1 270055898 FQPBMEWKHPAEKJ-UHFFFAOYSA-N 372.465 2.735 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@]3(C)CCCCO3)CC2)c1 67604685 AOLRLXHMYBGYPC-FQEVSTJZSA-N 361.482 2.798 0 50 FFAA CCC[C@H](NC)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67770607 XAYJGTZSIJZXLX-KRWDZBQOSA-N 355.438 2.563 0 50 FFAA COC(=O)c1cc(I)cn1C(=O)OC(C)(C)C 72481742 XDKZDUOPFMNJSD-UHFFFAOYSA-N 351.140 2.663 0 50 FFAA Cc1c(NC(=O)NCCc2noc([C@H]3CCCO3)n2)cc2[nH]cnc2c1C 299792530 FVHDKICNHGCQMU-CQSZACIVSA-N 370.413 2.778 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N[C@@H]1CCNC1=O 299787116 RUYXRSNAQPEBJU-GOSISDBHSA-N 353.422 2.708 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCCCN2CCC[C@@H](C)C2)CC1 584893722 AJBYXWDPOZZJAK-GOSISDBHSA-N 373.545 2.734 0 50 FFAA CN(C)C(=O)c1cc(N2CCC(c3nc(C4CCC4)no3)CC2)ccn1 866202169 ZRLZPPWXSFAQEY-UHFFFAOYSA-N 355.442 2.818 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)Cc3cc(F)c(F)cc3F)C2)o1 952890611 FGSDQVMLOHLIFX-PWSUYJOCSA-N 353.344 2.865 0 50 FFAA C[C@](O)(CNC(=O)CC[C@@H]1Cc2ccccc2CN1)c1ccc(F)cc1F 1875294732 VHKVCJILLITFRU-UTKZUKDTSA-N 374.431 2.783 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)c2[nH]cc3c2CCS3(=O)=O)c1C 1875290605 SFHPTXCDXQJMAX-INIZCTEOSA-N 358.463 2.939 0 50 FFAA N[C@]1(CO)CCCN(C(=O)[C@@H](CCc2ccccc2)Cc2ccccc2)C1 1875276662 MQYUYKGHDLVLEA-JTHBVZDNSA-N 366.505 2.790 0 50 FFAA O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCC(c2cc(O)no2)CC1 1875296264 NHCTUQRGUWABOW-OAHLLOKOSA-N 369.421 2.677 0 50 FFAA Cc1nc(C(=O)N2CCCCC(C)(C)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300017 HNCXOYNIZRCWNK-QGZVFWFLSA-N 373.545 2.886 0 50 FFAA CN(C)C(=O)C[C@@H]1CN(Cc2cccc(Cl)c2C(F)(F)F)C[C@H]1O 1875398376 NNUHDGIWTKLGMC-DGCLKSJQSA-N 364.795 2.630 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(C)c1 952871728 CPAIZUXHIYRRPL-CQSZACIVSA-N 355.369 2.558 0 50 FFAA Cc1ccnc(O)c1C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 886048160 CRCYAATVXQCVHS-CQSZACIVSA-N 372.494 2.679 0 50 FFAA Cc1ccc(C)c(-c2csc3ncn(C[C@H]4CCNC[C@@H]4O)c(=O)c23)c1 1565515238 FKJUMHIEDNSLGY-PBHICJAKSA-N 369.490 2.712 0 50 FFAA Cc1c[nH]c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)c(C)c1=O 1073351102 XCPSJBPKHDHFLI-MOPGFXCFSA-N 365.477 2.615 0 50 FFAA C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cccc(F)c1F 186501734 VQTMGODIKGZHDJ-STQMWFEESA-N 355.429 2.512 0 50 FFAA COCC(=O)N1CCc2cc(NC(=O)Cc3c(F)cccc3F)ccc21 275281520 RVGGAILSUDBYRF-UHFFFAOYSA-N 360.360 2.682 0 50 FFAA O=C1NCCN1c1nc(Cc2nc(-c3cccc(Cl)c3)no2)cs1 225555010 FOTXAFVABDLNEJ-UHFFFAOYSA-N 361.814 2.967 0 50 FFAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CCCN(CC(F)F)CC1 225608830 STGKBOKAHHPZMQ-UHFFFAOYSA-N 369.338 2.552 0 50 FFAA CCc1nn(C)c(Cl)c1CNc1cccc(-n2cnc(N(C)C)n2)c1 225836387 FWWJDMKABMBJPW-UHFFFAOYSA-N 359.865 2.895 0 50 FFAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)c2ccccc21 170633440 RLFLNZDCJRDYSX-VIFPVBQESA-N 373.217 2.766 0 50 FFAA CCOC(COCCNC(=O)c1c(-c2ccccc2)noc1C)OCC 170614324 UEJLMDXHZDLERP-UHFFFAOYSA-N 362.426 2.796 0 50 FFAA O=C(N[C@@H]1CCCOc2ccccc21)[C@H]1CCCN(c2cnccn2)C1 170608406 SMPOQQXJYXBVPX-DOTOQJQBSA-N 352.438 2.723 0 50 FFAA COc1ccccc1N1CC[C@@H](CNc2nc(C)nc3c2cnn3C)C1 194976905 OOHNJHNAZMCSDF-AWEZNQCLSA-N 352.442 2.619 0 50 FFAA Cc1noc(C(F)F)c1C(=O)NCc1ccc(N2CCOC2=O)cc1 783455919 CGHBYUSMCMZYPW-UHFFFAOYSA-N 351.309 2.807 0 50 FFAA COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 12192937 VUMNKRBBEMFNJX-MRXNPFEDSA-N 356.422 2.708 0 50 FFAA Cn1cnc(NC(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccoc3)s2)n1 19956174 JEFKPIKCHWSIPA-LBPRGKRZSA-N 371.422 2.699 0 50 FFAA C[C@H]1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)O[C@@H]1C(=O)O 1857528338 XBFKOUVRRCAGHD-JUKXBJQTSA-N 357.381 2.910 0 50 FFAA COc1ccc(-c2nc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)c(C)o2)cc1 1857669542 NGIPHBJTAWODGQ-MGPUTAFESA-N 372.421 2.582 0 50 FFAA O=C(O)[C@H]1CN(Cc2cnc[nH]2)CC12CCN(CC1CCCCC1)CC2 1857685259 GAUQCLBYSGEBEF-GOSISDBHSA-N 360.502 2.589 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cscn1 1857715686 CSFJWLQAYUUZHK-OFQRWUPVSA-N 363.870 2.741 0 50 FFAA Cc1cccc(CNC(=O)N2CCC[C@]3(CCc4c(O)nc(C)nc43)C2)c1 1857707746 INWSFGUOJOQRAI-NRFANRHFSA-N 366.465 2.989 0 50 FFAA C[C@@H](C(=O)N1CCC[C@@H](N2CCCC2=O)CC1)n1cnc2ccccc21 334015923 YVEWROHVMYRPFZ-JKSUJKDBSA-N 354.454 2.601 0 50 FFAA Cn1cc(N2CC[C@@H](N3CCc4c(Cl)cc(Cl)cc4C3)C2=O)cn1 128753646 YMZWEJUQUCVIAQ-MRXNPFEDSA-N 365.264 2.891 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2cnn(C)c2)C1 133459312 SSXVTUFEMVKEHW-IAGOWNOFSA-N 369.469 2.554 0 50 FFAA CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cnn2ncccc12 463317398 UEVLSBNVKPBRNU-UHFFFAOYSA-N 350.300 2.900 0 50 FFAA C[C@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccc2c(c1)CC(=O)N2C 772022109 KSHWERCVHAYRRX-JTQLQIEISA-N 361.348 2.693 0 50 FFAA C[C@H]1OCC[C@]12CN(C(=O)NCC1(c3ccc(F)cc3F)CC1)CCO2 366319577 SQRMUEIZRLUNGN-YJYMSZOUSA-N 366.408 2.586 0 50 FFAA O=C1CC[C@@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C2(CCC2)N1 374653952 FLYAXEXVKLDYIL-GOSISDBHSA-N 365.433 2.592 0 50 FFAA O=C(Nc1cccc(N2CCCC2)c1)N1CCC[C@H](Cn2ccnn2)C1 162930209 OQFFMDGRVVYNAL-INIZCTEOSA-N 354.458 2.822 0 50 FFAA COCCN1CC[C@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 265317087 HABLHGDBYYRZMR-ZDUSSCGKSA-N 367.375 2.690 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)c2)o1 804660844 MMCDDNHQQLZADH-INIZCTEOSA-N 372.425 2.738 0 50 FFAA Cc1cccc(C)c1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704315607 LWVUSDLUQZSDLJ-PGRDOPGGSA-N 367.445 2.824 0 50 FFAA O=C(/C=c1/nc(O)/c(=C\c2cnc(C3CCC3)s2)s1)c1ccco1 2325739401 DGHDPXXVIGSXET-GOBHWCIESA-N 358.444 2.658 0 50 FFAA O=C(O)[C@@H](NCc1cnn(CC(F)(F)F)c1C1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 2325806816 ICKLTZHIMGZWTL-OPDFLTKYSA-N 357.376 2.912 0 50 FFAA CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 1062054 MTALZSIYUHUFAS-UHFFFAOYSA-N 350.415 2.783 0 50 FFAA COc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1152330 JIECTQNWMOWYBD-MSOLQXFVSA-N 372.446 2.616 0 50 FFAA O=C(CN1C(=O)C(=O)c2ccccc21)OCc1cccc(Br)c1 2751091 QJZMPIPGONYSRE-UHFFFAOYSA-N 374.190 2.722 0 50 FFAA O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCCC1 2856024 YLQIDDZQQGSXLS-UHFFFAOYSA-N 365.480 2.551 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 6743991 YGPSRGNGJVUVFK-GFCCVEGCSA-N 359.879 2.515 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 115009309 JTWFXGOVIRRFMT-UHFFFAOYSA-N 370.434 2.853 0 50 FFAA CCC(=O)Nc1cccc(C(=O)N2CCC(Oc3ncccn3)CC2)c1 55099093 QLPNUKQGQRFISS-UHFFFAOYSA-N 354.410 2.509 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)CSc2ccncc2)c1C 55271430 MTHNWODMYVUTOR-UHFFFAOYSA-N 362.499 2.682 0 50 FFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1 55069602 YPZFRVSXRRWJSH-UHFFFAOYSA-N 361.848 2.918 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C2CC2)s1 9143721 QFFORUZCGWUPDG-UHFFFAOYSA-N 362.440 2.764 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)[nH]n1 67513767 JHIKTUFRUCJJBB-UHFFFAOYSA-N 372.517 2.817 0 50 FFAA C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc(NC(=N)O)cc1 328592966 KDSIKAOJQZEMGF-CHWSQXEVSA-N 360.458 2.699 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)c2)n[nH]1 65578500 CYILZBNZYLNYHL-AWEZNQCLSA-N 353.426 2.510 0 50 FFAA Cn1ncc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c(Br)c1=O 329730350 HVGACOXSFNCOGE-GXTWGEPZSA-N 364.243 2.875 0 50 FFAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1CCS(C)(=O)=O 65420545 SUSWZLLSKYSBAN-UHFFFAOYSA-N 358.467 2.868 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1n[nH]c2c1CCCCC2 67643509 YECXXQYQXJLEMW-CQSZACIVSA-N 351.454 2.567 0 50 FFAA Cc1noc([C@@H](C)N(C)C(=O)c2cc(COc3cccc(F)c3)[nH]n2)n1 67675271 IBKKZIGAXQQWNH-SNVBAGLBSA-N 359.361 2.652 0 50 FFAA O=c1n(Cc2ccc(Cl)nc2)nc([C@H]2CCCNC2)n1-c1ccccc1 67872103 KUPOSWDRURSDLQ-HNNXBMFYSA-N 369.856 2.598 0 50 FFAA Cn1ccnc1C(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 12316949 OIYDSDWYSULZIE-FQEVSTJZSA-N 356.445 2.688 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2cnn(C)c2)cc1 72152822 RCCIQZVDCMDEQQ-IBGZPJMESA-N 355.486 2.647 0 50 FFAA CCNC(=O)c1cccnc1N1CCN(c2nc3ccccc3s2)CC1 32565265 CBCQHDIORNUORJ-UHFFFAOYSA-N 367.478 2.768 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC[C@@H]2CN)cs1 237737999 SSDXIOACUYWYLQ-KBOKABMXSA-N 357.479 2.993 0 50 FFAA O=C(O)COc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77470925 XDENZOSLNLVRKX-NRFANRHFSA-N 372.465 2.517 0 50 FFAA CCc1cc(NCCc2csc(-c3cnccn3)n2)n2nccc2n1 72454322 MMFHNXBMDCBIJB-UHFFFAOYSA-N 351.439 2.860 0 50 FFAA CN(C(=O)c1ccc2[nH]nnc2c1)[C@H]1CCCN(CCc2ccccc2)C1 72135487 KJOJJHGDTCOZAA-SFHVURJKSA-N 363.465 2.737 0 50 FFAA CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2ccnc2)nc1 363414904 AZALJXJYHMALDR-KRWDZBQOSA-N 350.426 2.955 0 50 FFAA O=C(NCCc1cc2ccccc2[nH]1)NCc1ccnc(-n2ccnc2)c1 363718323 JNKRFMNCKZZTBY-UHFFFAOYSA-N 360.421 2.791 0 50 FFAA O=C(NCc1cnn2ccccc12)N[C@H]1CCN(c2ccccc2F)C1 368063670 LVCPCLDWKDFYRY-HNNXBMFYSA-N 353.401 2.552 0 50 FFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccoc1C1CC1 369065125 NTEGFPKYBGDBLR-OAQYLSRUSA-N 354.450 2.866 0 50 FFAA C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cnn(Cc2ccccc2)c1 460958400 OMNVZCRDORFIMQ-CQSZACIVSA-N 364.396 2.670 0 50 FFAA c1ccc(Nc2ccc(-n3ccnc3-c3cc4n(n3)CCNC4)cn2)cc1 72479794 RDWIQEYXRYDUKB-UHFFFAOYSA-N 357.421 2.978 0 50 FFAA CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 30361392 BCZPJAHIMCUMIJ-UHFFFAOYSA-N 352.843 2.520 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1 72421358 MOJQQQDMVFGBLR-UHFFFAOYSA-N 365.433 2.557 0 50 FFAA CCNc1nc(C(=O)N2CCN(C(=O)c3ccc(C)s3)CC2)cs1 177096299 RDORHUZEHQBNNQ-UHFFFAOYSA-N 364.496 2.543 0 50 FFAA Cc1cc2nc(CNC(=O)CC3=CSC4=NCCCN34)[nH]c2cc1C 215783017 APMBHUJRVDORSN-UHFFFAOYSA-N 355.467 2.836 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)n[nH]3)cc2)CC1 175796900 BFVKUUQIECMNTA-PBHICJAKSA-N 353.470 2.927 0 50 FFAA COc1ccccc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 223905181 VUFBRHKPYBASSZ-UHFFFAOYSA-N 353.470 2.656 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2CCc2nccn2C)n(C)n1 82107822 RLQGAAPHUIERSO-QGZVFWFLSA-N 357.502 2.980 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 82098023 SZUPKYQYVFXHRM-UHFFFAOYSA-N 354.454 2.709 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)NCC[C@H]1CCCN1C 426485698 PABPRUNYJBRWEO-MRXNPFEDSA-N 353.894 2.982 0 50 FFAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3ccc(O)cc3F)cc2)C1 426647852 BAJVKZUJQZKUPX-NRFANRHFSA-N 372.440 2.727 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239235512 WCCWKHLFPRICJB-KXMCNQHHSA-N 364.445 2.684 0 50 FFAA CCOc1ccccc1[C@H](C(=O)O)N1CCC(O)(c2cccnc2)CC1 95365971 HMBCIBVCIHZYJH-GOSISDBHSA-N 356.422 2.590 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(Cc1c(C)nn(C)c1C)C1CC1)C2 91907996 XLACZGCTEXZAJR-MRXNPFEDSA-N 369.465 2.788 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(C)Cc1cc(-c2ccncc2)no1 426393103 XULGESNSWOKUNQ-LBPRGKRZSA-N 368.441 2.990 0 50 FFAA Cc1cccc2cc(C(=O)N3CCN(CC(C)C)[C@H](CCO)C3)n(C)c12 95505874 VVYKYWDAQLKPCC-GOSISDBHSA-N 357.498 2.652 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cnc(-c4cccs4)nc3O)C2)n1 91381884 RPVKNCFBZDKGNK-CYBMUJFWSA-N 369.450 2.811 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1CCO[C@H](CCO)C1 97797404 ZPRMSZFRSWPWIL-HXUWFJFHSA-N 357.450 2.857 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 95358014 ITHDOBRNYAUADU-NRFANRHFSA-N 360.417 2.581 0 50 FFAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cnc(C2CC2)nc1 97425242 PVTSDHBWMVDDJH-UHFFFAOYSA-N 365.437 2.780 0 50 FFAA CCc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc(=O)[nH]1 97675502 AHSGADITSOIPEJ-UHFFFAOYSA-N 359.857 2.549 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccccc1-n1cnnc1 97813598 PLWRCZBDVQDUDC-UHFFFAOYSA-N 350.407 2.544 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)NC1CCN(C[C@H]2CCCO2)CC1 95530822 JZVPDEPVETULCG-QGZVFWFLSA-N 369.469 2.637 0 50 FFAA CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)c2ccc(Cl)cc2)n1 98211181 CVURUNZPRIWJDA-UHFFFAOYSA-N 364.785 2.773 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 244874536 XCYMIJOMIOSIDX-OALUTQOASA-N 359.445 2.527 0 50 FFAA CN(C)C(=O)COc1ccccc1CNc1cccc2c1OCC[C@@H]2O 184072661 IRHYOACIKLVXNU-KRWDZBQOSA-N 356.422 2.582 0 50 FFAA Cn1cc([C@H](NC(=O)Cc2ccc(F)c(Cl)c2F)[C@H]2C[C@H](O)C2)cn1 252518175 AFNLMNLUFQFHFC-ILMHXZGMSA-N 369.799 2.523 0 50 FFAA CSCC[C@@H](CO)NC(=O)Cc1c(C)n[nH]c1-c1ccc(Cl)cc1 252500861 TWUBKXPHIFOPHT-AWEZNQCLSA-N 367.902 2.811 0 50 FFAA CC(C)(C)c1cc(C(=O)NC[C@H]2CCCN(C3CCCC3)C2)nc(O)n1 299790804 BNIMQULCKKLHPS-CQSZACIVSA-N 360.502 2.864 0 50 FFAA CN(CCOc1ccccc1)C(=O)c1cccc(-c2n[nH]c(N(C)C)n2)c1 299769726 RNWVSGCCKOOEBZ-UHFFFAOYSA-N 365.437 2.689 0 50 FFAA O=C(Nc1cccc2cn[nH]c12)N1CCC([C@H](O)c2ccccn2)CC1 299755122 CEDLACNNJPCKCL-SFHVURJKSA-N 351.410 2.935 0 50 FFAA Cc1cccc2oc(CNC(=O)[C@@H]3CCCN(C4CCOCC4)C3)nc12 299783846 VGESCZKBFZBTKB-OAHLLOKOSA-N 357.454 2.643 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cs2)c1 299772283 VAZSRRPOEMSGDM-OAHLLOKOSA-N 357.479 2.992 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3C)C2)cc1OCCCN 299788392 OXHOVGWCBNOVBH-QFIPXVFZSA-N 368.477 2.765 0 50 FFAA O=C(N[C@H]1CCCN(C2CCCC2)C1)N1CCN(c2ccccc2O)CC1 584890504 UAKREXDNYGXYSM-KRWDZBQOSA-N 372.513 2.631 0 50 FFAA Cn1c(CNc2nnc(CCO)s2)c(Br)c2ccccc21 871073166 SAHPOJJUYZMHJQ-UHFFFAOYSA-N 367.272 2.939 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cccc(Cl)c1 1565507062 BIJUEWOTUWBUGC-GJZGRUSLSA-N 352.843 2.901 0 50 FFAA C[C@H](CC(=O)N1CCN(c2nc3cnccc3n2C)CC1)c1ccccc1 1875269047 UQLCIXLMPNOBKZ-MRXNPFEDSA-N 363.465 2.811 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)c1nnc(O)c2ccccc12 952873148 HAMYRKWXNHGQEN-UHFFFAOYSA-N 355.369 2.763 0 50 FFAA O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CCCN(Cc2ccco2)C1 952989076 HBFBFSYYHOJURV-QGZVFWFLSA-N 366.421 2.858 0 50 FFAA CCC[C@@H]1CN(c2ncnc3cc(F)c(OC)cc23)CCN1CCOC 186276899 DVSYDAMAUGJXDG-CQSZACIVSA-N 362.449 2.715 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)[nH]n1 275689689 MSTLVBNVOWACQO-OAHLLOKOSA-N 359.499 2.555 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1c[nH]c(C)n1)CC2 275832942 WYXXNQINDBKFGB-QGZVFWFLSA-N 372.494 2.823 0 50 FFAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(C2CC2)ns1 301599871 UQZHZYJDUKBHBK-LLVKDONJSA-N 371.466 2.616 0 50 FFAA O=C1CCCN1[C@@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 276835969 RVPSQURZOVSLDO-LJQANCHMSA-N 351.450 2.857 0 50 FFAA CCCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)O 170592112 QOZOFHGPWOJWST-IRXDYDNUSA-N 360.454 2.689 0 50 FFAA CCOCCCN1CC[C@@H](N2C(=O)CN(Cc3ccccc3)C2=O)[C@H](C)C1 225457003 ZHBJIYXTOGBAOQ-IEBWSBKVSA-N 373.497 2.588 0 50 FFAA C[C@@H](O)CN1CCN(Cc2ccc(-n3cnc4ccccc43)cc2)CC1 188733984 HDWQFRNNVODLIT-QGZVFWFLSA-N 350.466 2.524 0 50 FFAA CC1(C)CCN(C(=O)c2ccc(Cl)c3cccnc23)CCS1(=O)=O 194212682 IWCBGPMFDGGZRZ-UHFFFAOYSA-N 366.870 2.928 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1nc(O)nc2ccccc12)C(C)C 1506401249 INNABJXIRWSNSX-UHFFFAOYSA-N 353.426 2.737 0 50 FFAA CO[C@H]1CN(C(=O)COc2cccc(C)c2C)C[C@H]1Cc1cc(C)no1 1704350192 MNUHUQPQZVITPE-APWZRJJASA-N 358.438 2.695 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(Cl)cn3C)C1)CC2 1704344175 OVAQDAHOBMAHOH-LJQANCHMSA-N 373.888 2.655 0 50 FFAA CC(C)(C)OC(=O)CN1CCN(c2ccc(Br)cc2)CC1 200641849 QMPIVGFJSQMRIH-UHFFFAOYSA-N 355.276 2.913 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)CCCc3ccc(F)cc3)C2)CC1 12055503 FYWVOYYWXLTEGC-IBGZPJMESA-N 361.505 2.823 0 50 FFAA Cc1ccc(OCCN(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)cc1 12317569 PJJWHVFNEDITAW-UHFFFAOYSA-N 367.453 2.731 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNC1CCCCC1 12759370 LFUIODNQJWRAFN-IBGZPJMESA-N 352.425 2.741 0 50 FFAA CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H](NCC(C)C)C2 14742539 WXMLFCFTXUVBCJ-HNNXBMFYSA-N 358.486 2.871 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccncc3)CC2)C1=O 14747006 DYDFTPOAMXICMK-UHFFFAOYSA-N 364.449 2.510 0 50 FFAA COc1ccc(OCc2cc(C(=O)NCC(F)(F)F)n[nH]2)c(Cl)c1 15068917 HAIKVLIMRZYBMU-UHFFFAOYSA-N 363.723 2.943 0 50 FFAA OC[C@]12COCC[C@H]1CN(C1CCN(c3cccc(Cl)c3)CC1)C2 1857668902 JNPSEUJHICBGPG-HNAYVOBHSA-N 350.890 2.640 0 50 FFAA COc1ccnc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c1 1857698018 DOGGRAWRGMHSKU-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(Cl)cn2C)[C@H]1c1ccccc1 1857723122 UMTMEDLRPDGJOG-ROUUACIJSA-N 361.873 2.822 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 951522 PBSVVCOMYVLJBI-UHFFFAOYSA-N 358.781 2.892 0 50 FFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3c(c2)OCO3)c1 213009649 TXHAYCATESSSAB-MOPGFXCFSA-N 351.450 2.907 0 50 FFAA Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(C(C)(C)C)cc1 1517794 KMCKPRMPSMMCRV-UHFFFAOYSA-N 374.510 2.731 0 50 FFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)N=c1cc[nH]cc1F 328619377 FVOCAXHTVNJASU-JTQLQIEISA-N 371.338 2.584 0 50 FFAA Cc1ccc(-c2nc(C(=O)N(CC(=O)O)C3CCOCC3)cs2)cc1 237744842 QYGKGXDDSQWLQJ-UHFFFAOYSA-N 360.435 2.824 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(c1ccc(-c3nc(C)no3)cn1)C2 248230328 AATFJKQPASXBQN-SJORKVTESA-N 367.453 2.833 0 50 FFAA FC(F)(F)CN1CC[C@@H](c2nc(Cn3cnc4ccccc43)no2)C1 350260593 MAGDACCCFWBAEU-LLVKDONJSA-N 351.332 2.819 0 50 FFAA Cc1cc(-c2cccc(F)c2)nnc1N1CCN(c2cnccn2)CC1 266466357 ZJQKSQQEKRKCSM-UHFFFAOYSA-N 350.401 2.708 0 50 FFAA CC1(C)C[C@H](CNC(=O)N2CCn3c(nnc3C(C)(C)C)C2)C(C)(C)O1 927628191 OGEOEYUDEZWBGH-CYBMUJFWSA-N 363.506 2.695 0 50 FFAA O=C(NCc1c(F)cc(F)cc1F)N1CCC[C@H](N2CCCC2=O)CC1 840379976 QUFWPCALYMVPTQ-ZDUSSCGKSA-N 369.387 2.790 0 50 FFAA C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1csc(C2CC2)n1 2325734420 LMQGEKNDPNVJGP-JTQLQIEISA-N 362.480 2.693 0 50 FFAA CCS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCCC3)c(N)c1 2325771214 GAVMQIPPRNHJRV-UHFFFAOYSA-N 360.435 2.640 0 50 FFAA CC[C@H](CNC(=O)Cc1ccc(F)cn1)NC(=O)C[C@H](C)c1ccco1 2325794327 YSZMBPGEUGRATF-DZGCQCFKSA-N 361.417 2.561 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C3CCCCC3)C2)n[nH]1 2325843130 WFHNGXFVYDSGDE-YOEHRIQHSA-N 364.465 2.782 0 50 FFAA NCc1ccccc1CNC(=O)c1c[nH]c2nccc(Br)c12 2325855995 YEWHXEKPCQKCFV-UHFFFAOYSA-N 359.227 2.714 0 50 FFAA O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc(Nc2ncccn2)cc1 2325870194 MOMCKEYNCGUTDR-UHFFFAOYSA-N 358.365 2.653 0 50 FFAA CCN(CC)CCC[C@@H](C)Nc1ccc2nnc(Br)n2n1 881741263 CRSNFNCFDXACEE-LLVKDONJSA-N 355.284 2.809 0 50 FFAA O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(CO)cc1 1446276222 QETXFKWDMUTAKR-CYBMUJFWSA-N 362.788 2.507 0 50 FFAA COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 810478 PPMHAFZOUWHQPL-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA COc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(OC)c1 1114312 XOTJCGJKIVUKDO-UHFFFAOYSA-N 370.457 2.833 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(N)=O 1216060 MSZIAWQMRBRNDI-UHFFFAOYSA-N 369.240 2.657 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1=O 2356167528 REMHWVYRAFPBHM-NRFANRHFSA-N 372.465 2.740 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 2739287 JOYNFTZYFAUFHS-HZPDHXFCSA-N 360.454 2.625 0 50 FFAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 6742983 OYBZCMIMIOJUSX-UHFFFAOYSA-N 359.879 2.515 0 50 FFAA C[C@H]1CN(C(=O)c2ccc(-c3cncnc3)cc2F)CC2(CCOCC2)O1 279299885 ZBBRFUCUHRHUKS-AWEZNQCLSA-N 371.412 2.693 0 50 FFAA Cc1cccc(-c2noc(CN(C)C(=O)c3c(C)cc(C)n(C)c3=O)n2)c1 55153194 OHASOEULVQJZEC-UHFFFAOYSA-N 366.421 2.633 0 50 FFAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 414013905 JACRNBFCVSCJCH-CQSZACIVSA-N 360.845 2.859 0 50 FFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3CCC3)C2)CC1 55053825 QBPAZJLCMADGJH-SFHVURJKSA-N 357.498 2.608 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 54377235 CKRDTVDBSMTKRW-UHFFFAOYSA-N 366.421 2.811 0 50 FFAA Cc1nc(-c2c(C)ncc3c2CCN(C(=O)C2(C(F)(F)F)CC2)C3)no1 20780880 RCJGXJQSYGJOPU-UHFFFAOYSA-N 366.343 2.976 0 50 FFAA COc1ccc2c(C)nc(N3CCCO[C@@H](CN4CCCC4)C3)nc2c1 67982805 NWTGHQZZOHEPGL-KRWDZBQOSA-N 356.470 2.638 0 50 FFAA COc1ccccc1-n1c(SCC(=O)O)nnc1-c1oc(C)nc1C 67434702 VDSPZJGASHVBQZ-UHFFFAOYSA-N 360.395 2.724 0 50 FFAA CCn1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCCc2ccc(F)cc2)cn1 20994573 UXENOPAKBRFEKB-RBUKOAKNSA-N 372.444 2.680 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 12447583 QRJRYJOOZXVOOE-CQSZACIVSA-N 372.425 2.553 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H](c2ccsc2)O1 329408928 BCJKMPANPMLFAQ-ZBEGNZNMSA-N 367.448 2.628 0 50 FFAA COc1ccccc1CNC(=O)C[C@H]1COCCN1C(=O)C1CCCCC1 72473348 SDPXENROGUQZPU-SFHVURJKSA-N 374.481 2.509 0 50 FFAA C[C@H](NC(=O)CCn1cnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 31497817 OPTBWBABCUFVFS-AWEZNQCLSA-N 371.462 2.707 0 50 FFAA C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2)C1=O 252679466 MWLSUPKCLNSTPG-BHYGNILZSA-N 350.418 2.863 0 50 FFAA OC[C@H]1CCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C[C@H]1O 72157817 NHGJGTPEWGZSBK-DVCJTLJCSA-N 362.539 2.786 0 50 FFAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 329917235 QTDOJSAQHYIPQS-AZSHCRGASA-N 356.422 2.724 0 50 FFAA Cn1c(=O)oc2c(C(=O)N[C@@H]3CCCN(c4ccccc4)C3)cccc21 121570562 ZTQYFNWILWDAGC-CQSZACIVSA-N 351.406 2.530 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cs1 72430808 MSDHNCIIPBAVOB-OAHLLOKOSA-N 373.526 2.801 0 50 FFAA COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccnc2S)C1 151461816 YZORJWITXSTOQB-HUUCEWRRSA-N 356.447 2.789 0 50 FFAA CCc1cc(NCCc2nc(-c3cccnc3)n[nH]2)n2nc(C)c(C)c2n1 72419469 HNWPAMKBYZFIJG-UHFFFAOYSA-N 362.441 2.743 0 50 FFAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)OCc1ccccc12 363702325 BLDRAHNMKGGUKV-WIYYLYMNSA-N 356.466 2.826 0 50 FFAA CSc1nc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)cs1 215468641 NBYDYCPYBQUSLF-UHFFFAOYSA-N 357.464 2.849 0 50 FFAA CN(CC(C)(C)O)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 375551332 DSJYEFHTDDAXKG-HUUCEWRRSA-N 358.404 2.526 0 50 FFAA CC(C)(C)CCCNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 72425346 ZPZVOLGQUBJWQV-CYBMUJFWSA-N 354.520 2.585 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N(C)Cc2cccc3ncccc23)CC1 77487412 PALFEROWNINOFX-UHFFFAOYSA-N 354.454 2.587 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)cc1 72128296 IKYYIPMECMVECI-HNNXBMFYSA-N 372.494 2.889 0 50 FFAA O=C([C@H](O)c1ccc(F)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 72439206 WHQAZBUOYKWRIT-LJQANCHMSA-N 360.404 2.733 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(=O)n(C)c3ccccc23)C1 216058019 PPXXOHVAAQDALJ-HNNXBMFYSA-N 364.449 2.775 0 50 FFAA O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CCCN1C(=O)Cc1ccccc1 159320615 PTUOMLLRUZXORV-RBUKOAKNSA-N 370.493 2.828 0 50 FFAA O=C1C[C@H](c2cccs2)Cc2[nH]c(=O)c(C(=O)NCc3ccco3)cc21 71385108 FPDNZNVHCGQKIL-LLVKDONJSA-N 368.414 2.872 0 50 FFAA Cc1cccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72411162 ISSJCNDZBNHMPC-UHFFFAOYSA-N 352.394 2.927 0 50 FFAA O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cc(C2CC2)on1 172467288 MWUSXAMSLLJSSQ-UHFFFAOYSA-N 353.422 2.834 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82097360 XMDUVKVFOOVLHO-KRWDZBQOSA-N 362.433 2.640 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3c(Br)cccc32)C1 40282905 XJKDOSBLMYYJCT-NSHDSACASA-N 365.227 2.727 0 50 FFAA O=C(C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1)c1ccco1 220444698 FBHUFVBNAHEQMG-CQSZACIVSA-N 351.362 2.919 0 50 FFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc3ccccc23)CN1C(C)C 20448854 YBLWHHVVSRGKCP-CTNGQTDRSA-N 369.509 2.543 0 50 FFAA Cc1c(F)cccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 223634942 BREZCVJMCYDSMU-HZPDHXFCSA-N 350.415 2.695 0 50 FFAA CCOc1ncccc1C(=O)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 221295354 OJPGHHOZNLUQLF-GOSISDBHSA-N 370.453 2.556 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)NCc2cnn(-c3ccccc3)c2)n1 426369873 FXDFTJKXQXQHAW-UHFFFAOYSA-N 368.441 2.795 0 50 FFAA CCCCc1cn(C[C@H]2CCCN(C(=O)c3[nH]nc(CC)c3C)C2)nn1 48482799 QVYTYBAPLQXGPN-HNNXBMFYSA-N 358.490 2.767 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCCn1ncc2ccccc2c1=O 91713305 TZUNQCZTEPTKEY-UHFFFAOYSA-N 356.451 2.715 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1C 91493598 MGMPBFDAUFBFBQ-OAQYLSRUSA-N 371.481 2.699 0 50 FFAA Cc1cc(C)c2c(N(C)C[C@@H]3CC(=O)N(C4CCCC4)C3)ncnc2n1 95370585 MEGCJAIBFNPVIC-HNNXBMFYSA-N 353.470 2.869 0 50 FFAA O=C(NCc1cccc(-n2cccn2)c1)C1CCN(Cc2ccco2)CC1 95357633 LFBUZHNBDVUUQM-UHFFFAOYSA-N 364.449 2.994 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2cccc(-n3cccn3)c2)C1 426497357 OHGCTURNORHDJP-MRXNPFEDSA-N 353.470 2.641 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 97745218 LXHOXADFGGSLJI-ZDUSSCGKSA-N 367.409 2.939 0 50 FFAA C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 426488574 YXNGUILHWCHHMP-LLVKDONJSA-N 363.339 2.728 0 50 FFAA CCN(C(=O)c1c(-c2ccccc2)ccnc1C)[C@@H]1CCS(=O)(=O)C1 95369741 TWJYASHSESVPAR-MRXNPFEDSA-N 358.463 2.706 0 50 FFAA Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN([C@H]2CCNC2)CC1 290056078 VJQYBXHNGFZYQL-KRWDZBQOSA-N 358.530 2.573 0 50 FFAA CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 91411436 GUUGSPQLIWLPKS-MAUKXSAKSA-N 356.466 2.948 0 50 FFAA CCc1cnc(C)nc1N1CCC(NCc2nc3ccccc3n2C)CC1 95519790 FFXOCHBDQRIFRK-UHFFFAOYSA-N 364.497 2.993 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)c2cc(Br)ccc2n1 178257227 DJXMOGBYTCOEOY-SNVBAGLBSA-N 363.211 2.852 0 50 FFAA CC[C@H](NC(=O)c1cn2ccsc2n1)c1ccc(S(C)(=O)=O)cc1 97492374 MASRZHPHNGQDTK-ZDUSSCGKSA-N 363.464 2.680 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(CCCc2ccccc2)CC1 91320649 LTJSFJXYCBOCPM-UHFFFAOYSA-N 364.497 2.872 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 179020014 YTYJCOCFEZVIOJ-LBPRGKRZSA-N 352.360 2.573 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)N[C@H]2CCc3ccccc3C2)CC1 534658803 LAUFNVDWYJTQMU-FQEVSTJZSA-N 369.509 2.978 0 50 FFAA CCc1ccccc1OC1CN(C(=O)Nc2ccc(OC)nc2OC)C1 299776789 CWUABEHYYHPSMS-UHFFFAOYSA-N 357.410 2.956 0 50 FFAA COc1ccccc1N1C[C@H](NC(=O)c2cnc3c(c2)CCCC3)CC1=O 299799641 TVLJCGIRWBAUGT-MRXNPFEDSA-N 365.433 2.504 0 50 FFAA CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC(C)C)C2 299777346 OIHQESQPNGWERD-QWRGUYRKSA-N 351.472 2.788 0 50 FFAA CCc1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc(O)n1 299795033 LFLWYGUTQXOHLH-UHFFFAOYSA-N 358.413 2.967 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 299765140 WWPXTYLRBMOKDK-UHFFFAOYSA-N 368.393 2.714 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3cccc(Cn4cccn4)c3)CC2)n1 299801480 ZFJSRGNJLXPUDZ-UHFFFAOYSA-N 365.437 2.718 0 50 FFAA CN1CCN(CCC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)CC1 299785170 KDMJKMVIVDWMTK-UHFFFAOYSA-N 361.873 2.854 0 50 FFAA Cc1nc(CNC(=O)c2ccccc2N2CCCC2=O)ccc1[C@@H](C)O 1325092366 XULIEYVHFDHVRA-CQSZACIVSA-N 353.422 2.500 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)NCCCc1csc(N)n1 670460389 CWVXNPADXJDVLT-UHFFFAOYSA-N 357.483 2.777 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 952980698 XUIFUDLPZOBARO-INIZCTEOSA-N 364.442 2.899 0 50 FFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCO[C@H](c2ccc(F)cc2)C1 71775569 CYIFRPABBDKSOW-SFHVURJKSA-N 367.380 2.518 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](Cc1nc(Cn2cncn2)no1)c1ccccc1 274071104 UAEWLIBQLNNXNT-AWEZNQCLSA-N 370.413 2.518 0 50 FFAA COc1ccc2sc(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)c(C)c2c1 274198930 RDXHUFHKQBKFCB-ZDUSSCGKSA-N 367.492 2.868 0 50 FFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1CCCCS1(=O)=O 275504012 YPMYHZJZKSBIMZ-UHOFOFEASA-N 371.886 2.596 0 50 FFAA Oc1nccnc1N1CCC[C@H](NCc2ccccc2C(F)(F)F)C1 275591664 PSWHLNAMMMYIGB-ZDUSSCGKSA-N 352.360 2.960 0 50 FFAA Cc1ccnc(-n2nccc2NC(=O)N(C)CC[C@@H]2CCCCN2C)c1 189817916 KSNHHRIQIZREIY-INIZCTEOSA-N 356.474 2.914 0 50 FFAA Cc1noc2ncnc(NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c12 193381163 ARPIVSGFDJQWIY-HNNXBMFYSA-N 357.389 2.551 0 50 FFAA CCC[C@H]1CN(Cc2nc(N)nc(Nc3cccc(C)c3)n2)C[C@@H]1N(C)C 219903170 HXLUQYXIENRKQJ-RDJZCZTQSA-N 369.517 2.668 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C(=O)Cc3ccsc3)CC2)on1 1704297869 AAAWRXMQLSHGIN-UHFFFAOYSA-N 361.467 2.777 0 50 FFAA CC(C)CC(=O)N1CCC(Nc2nnc([C@H](N)c3ccccc3)o2)CC1 1772710982 VFHMDMIUDLZLLR-QGZVFWFLSA-N 357.458 2.567 0 50 FFAA Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N(C)C)N(Cc3ccccc3F)C2)n1 11910274 KXZWTFDAHHZCMC-WBVHZDCISA-N 374.485 2.748 0 50 FFAA O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCOCC1 13153106 WSXCIECFBMTIQD-UHFFFAOYSA-N 362.227 2.933 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(F)cc3)C2)nn1 14957416 JZBMAMWJTMUWBH-KRWDZBQOSA-N 359.449 2.736 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3ccco3)CC2)cc(C(F)(F)F)n1 169772423 YMCWQGBZMUOHAO-UHFFFAOYSA-N 354.332 2.796 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(CN3CCCCC3)s1)C2 1857669327 FUDINEFTGYATEK-HNAYVOBHSA-N 364.511 2.657 0 50 FFAA O=S1(=O)CCC(N2CCC(n3ccnc3[C@H]3CC=CCC3)CC2)CC1 1857701560 NYPOUMIMZSBJPE-INIZCTEOSA-N 363.527 2.921 0 50 FFAA O=C(NCc1ccccc1OCc1ccccc1)[C@@H]1CCc2ncnn2C1 1857706053 IITUZYMHJAJOPB-GOSISDBHSA-N 362.433 2.736 0 50 FFAA CC[C@@H](OC)C(=O)N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 1857718923 AEKRFLHAOKJHNE-CQSZACIVSA-N 361.486 2.711 0 50 FFAA O=C(CCC(F)(F)F)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857737168 ZPVWETOQXRRQMO-VBQJREDUSA-N 368.355 2.630 0 50 FFAA Cc1nc(C(=O)N[C@H]2CCCc3nn(C)cc32)c(Br)s1 333839785 NFDGWEKKMKHZBJ-VIFPVBQESA-N 355.261 2.755 0 50 FFAA O=C(NCCc1cscn1)c1cc(COc2c(F)cccc2F)on1 23191556 PGQXKSVMTLVBBX-UHFFFAOYSA-N 365.361 2.961 0 50 FFAA O=C(Cc1noc2ccccc12)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 154632123 SSYCDCKWHJSBHZ-OAHLLOKOSA-N 369.808 2.945 0 50 FFAA O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 370639940 MCSRHFBBMHEYDS-OIISXLGYSA-N 360.841 2.890 0 50 FFAA C[C@]1(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)CC1(F)F 263099505 CRMILMWIBTWBRQ-SUMWQHHRSA-N 366.364 2.750 0 50 FFAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cccc(C2CC2)n1 498164816 DZBSECSTWTXULH-UHFFFAOYSA-N 354.801 2.905 0 50 FFAA Cc1nc2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)NC3CC3)cc2[nH]1 1875266816 IHQNUNIDMROAAD-HXUWFJFHSA-N 374.444 2.717 0 50 FFAA CCS(=O)(=O)c1ccc(CN=c2cc(-c3ccccn3)nc(C)[nH]2)s1 1875262502 ZOXRXSDQOYVEAU-UHFFFAOYSA-N 374.491 2.736 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cc(C(C)C)no2)C1 1875383069 FMSJSUMSFMXDNB-NBEIKUQISA-N 367.449 2.930 0 50 FFAA Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2CN=c2[nH]c3ccccc3o2)co1 1875326394 ABAMVSNRDYSGEC-KGLIPLIRSA-N 354.410 2.947 0 50 FFAA Cc1oc(CNC(=O)CCc2ccc3c(c2)OCCCO3)cc1C(=O)O 888092619 KDJPVPBUYPAKGH-UHFFFAOYSA-N 359.378 2.697 0 50 FFAA CC(C)(C)c1cc2c(N3CCC[C@H](NC4CCOCC4)C3)nccn2n1 895122575 GAINIJJUSRQSCZ-INIZCTEOSA-N 357.502 2.764 0 50 FFAA O=C(CC1CCC1)N[C@H]1C[C@H]2C[C@@H](NC(=O)Cc3cncs3)C[C@H]2C1 2325854499 HBQCXXDHIDFVHO-GEEKYZPCSA-N 361.511 2.665 0 50 FFAA O[C@@H](C[C@@H](O)CNCc1ccccc1CN1CCCC1)c1ccccc1 905027709 QQEBWLKTVLSIHT-YADHBBJMSA-N 354.494 2.857 0 50 FFAA O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 6507673 DKWRPRUCPUNKSK-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA COc1ccc(CNC[C@H](O)c2cccc(O)c2)cc1Br 57354891 DMMYCBJHILDHHL-HNNXBMFYSA-N 352.228 2.987 0 50 FFAA Cn1nccc1CNC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 112440625 VBZWZFXOLDSOHM-INIZCTEOSA-N 366.425 2.907 0 50 FFAA Cc1n[nH]c(CCC(=O)Nc2ccccc2C(=O)n2cnc3ccccc32)n1 55224576 NGGIJHPMDYZOTA-UHFFFAOYSA-N 374.404 2.723 0 50 FFAA CC[C@H](NC(=O)c1cnn2cc(CN(CC)CC)cnc12)c1cccnc1 67457932 IKCWDVLCPZGLNJ-SFHVURJKSA-N 366.469 2.847 0 50 FFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3ccc(CO)cc3)[nH]c2C1 65418151 PMRLRTBMPZUYMK-OAHLLOKOSA-N 363.417 2.647 0 50 FFAA C[C@@H](Cn1cncn1)Nc1ccc(-c2nc(Cc3ccccc3)no2)cn1 20538813 BIEWDQCYYRWJCY-AWEZNQCLSA-N 361.409 2.815 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3cccc(C)n3)C2)cc1 11821136 DWNUKPBAVWKBPU-IBGZPJMESA-N 367.493 2.970 0 50 FFAA Cc1cnc2c(C(=O)N3CCc4onc(-c5ccccc5)c4C3)cnn2c1 67603686 MZYPIMAUCWHHQO-UHFFFAOYSA-N 359.389 2.891 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)[C@H](C)CN2CCCC2)cn1 67894435 YJPZFZQLSGFXCO-OAHLLOKOSA-N 354.454 2.925 0 50 FFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCC3(CO)CC3)cnc21 77436349 FRRYIXZVKZYMMN-UHFFFAOYSA-N 370.840 2.791 0 50 FFAA CCn1ncc(CNc2nc(C3CCCC3)nc3c2CCNCC3)c1C 72453688 HPHUFZAVLQXVPE-UHFFFAOYSA-N 354.502 2.959 0 50 FFAA O=C(OC[C@H]1CCCCN1c1cnccn1)c1ccc(-n2cccn2)cc1 252496938 PVSLUMIGIPJDNM-GOSISDBHSA-N 363.421 2.878 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 238014164 UYWQRDVXUKKWFN-OCCSQVGLSA-N 351.830 2.995 0 50 FFAA O=C1N[C@H](C2CCOCC2)C(=O)N1CCCOc1ccc2ccccc2c1 432025165 NSLXUBQLSSLHHH-LJQANCHMSA-N 368.433 2.956 0 50 FFAA CC(C)(C)c1nc(=NC(=O)N2CCCN(C3CCCC3)CC2)s[nH]1 329861813 YBQKSEZJNMPIOX-UHFFFAOYSA-N 351.520 2.740 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)c(F)cc1F 239672536 BTSGLZKRJRHZGX-OAHLLOKOSA-N 355.410 2.923 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCN[C@@H](C)C3)c2C)cc1 155180774 UEUWDGSGIMRDHT-INIZCTEOSA-N 354.498 2.610 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Cc3ccc(F)cc3C)CC2=O)cc1 77298797 CZDZLENDKFFKPC-UHFFFAOYSA-N 354.425 2.856 0 50 FFAA COC[C@H](CN1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1 71767216 IDLJHLCNZCDOQP-FQEVSTJZSA-N 354.450 2.681 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(Cc3ccc(O)cc3)CC2)C1)N1CCCC1 71749587 DIOQEGKIHSALII-LJQANCHMSA-N 371.525 2.691 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@H](CCc3ccccc3C)C2)c(=O)[nH]1 71755423 VDSCISVDWOSKMY-QGZVFWFLSA-N 353.466 2.801 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 77486866 BSKOJOQOAQDTHZ-IBGZPJMESA-N 374.444 2.931 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3cccc4cccnc34)CC2)c1 72447425 DBYKBTGWCNQAOB-UHFFFAOYSA-N 350.422 2.816 0 50 FFAA CN1CCN(CCC[C@]2(O)c3ccccc3COc3ccccc32)CC1 71769477 ZNVHPPNLQFFXAX-QFIPXVFZSA-N 352.478 2.843 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)NC(C)(C)C)CC1 77288197 QEHQAJBVNPTPCT-UHFFFAOYSA-N 362.522 2.581 0 50 FFAA O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc2nccn2c1 172553021 RFWQQDQVMPKXKQ-UHFFFAOYSA-N 362.433 2.617 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCOC[C@H]1C[C@H](O)c1ccco1 159014882 BQPDQORTTGIUFX-OCCSQVGLSA-N 374.418 2.674 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)ncc1Br 284509496 HWLJSHXVWONZLQ-XNRPHZJLSA-N 355.276 2.909 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O)c1cccc(F)c1F 284803618 AQUNXFFTAYUHDV-WRUATKAJSA-N 368.424 2.987 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)C(=O)CCc3ccccc3)CC2=O)cc1 82099487 GRLLXXPDPAIPSG-KRWDZBQOSA-N 364.445 2.761 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 285580709 KMLSMVQGTQUFME-CABCVRRESA-N 352.312 2.754 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(CCOc3ccccc3)CC2)c1C 82096821 YQQUBYLRDCIBDE-UHFFFAOYSA-N 369.465 2.671 0 50 FFAA COc1cccc(CSc2sc3c(O)cc(=O)[nH]c3c2C(N)=O)c1 40286945 RUVRDAYSJQHBSO-UHFFFAOYSA-N 362.432 2.695 0 50 FFAA COc1ccnc(N2CCC(C(=O)N3c4ccccc4OC[C@@H]3C)CC2)n1 175368400 MKISZUKBVFXKGS-AWEZNQCLSA-N 368.437 2.516 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCCc1ncnn1C 426428120 QMNJRWFZZKAUIV-UHFFFAOYSA-N 370.457 2.616 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2cccc(-n3cccn3)c2)C1 426497356 OHGCTURNORHDJP-INIZCTEOSA-N 353.470 2.641 0 50 FFAA CCOc1cccc(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1 178188706 LDSOVMNOHFTRSD-UHFFFAOYSA-N 354.454 2.891 0 50 FFAA CCc1cccc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1 91595529 FCRWLGFJRIGJSR-UHFFFAOYSA-N 373.453 2.570 0 50 FFAA O=C(CC[C@@H]1CCCN(Cc2ncon2)C1)NCc1ccc(F)c(F)c1 95502939 LCLBZUTZVHMXDT-ZDUSSCGKSA-N 364.396 2.656 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 91664832 BJTQXIUMHMFOTM-CQSZACIVSA-N 351.447 2.919 0 50 FFAA CCc1noc(-c2cccc(NC(=O)NCc3nc(CSC)no3)c2)n1 96147809 XDABGVSHHGZSTI-UHFFFAOYSA-N 374.426 2.867 0 50 FFAA CC(=O)c1cccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 91943025 SIXOBQWODCVZJU-OAQYLSRUSA-N 354.450 2.754 0 50 FFAA Cc1nc(-c2ncc(C(=O)N(C)CCC[C@@H]3CCCO3)c(O)n2)cs1 91551733 CHGVOOZTSBUIBU-GFCCVEGCSA-N 362.455 2.645 0 50 FFAA Cc1cccc2cc(C(=O)NCCc3nc(-c4ccccn4)no3)n(C)c12 95370209 VCYIHLCIOCLYBE-UHFFFAOYSA-N 361.405 2.904 0 50 FFAA Cc1ccccc1CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96140233 XLLBKZRSQGMLBP-UHFFFAOYSA-N 370.453 2.596 0 50 FFAA COc1nccnc1N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91966466 LDRSYIQILHYRBR-MRXNPFEDSA-N 350.426 2.509 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2O)c1 179402767 WHWDZEPWZLRNOJ-MRXNPFEDSA-N 352.394 2.660 0 50 FFAA CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nnc(N)s2)cc1C 244595054 DNVJVCHAWQUWSV-NSHDSACASA-N 362.455 2.668 0 50 FFAA C[C@@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3c[nH]nc3c2)c1 534673050 NVGJXOGYZXWFLX-HNNXBMFYSA-N 364.449 2.680 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)cc1 299757846 CIPOSNHJKFTNKS-UHFFFAOYSA-N 372.490 2.816 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3cn(C)nc3CC)c2)CC1 299781825 RZBFSDWPFBMIMQ-UHFFFAOYSA-N 370.453 2.564 0 50 FFAA COc1ccc(NC(=O)c2cc3ccc(OC)c(OC)c3c(=O)s2)cn1 824748069 XOILYCQMFJNQOU-UHFFFAOYSA-N 372.402 2.935 0 50 FFAA COC[C@H](C)N(Cc1cccc(OC)c1)S(=O)(=O)N1CCC(C)CC1 824339235 WGVATNHJLTUFQF-INIZCTEOSA-N 370.515 2.509 0 50 FFAA CCc1c(C)nc(C)nc1-c1cccc(C(=O)N[C@H](C(N)=O)C(C)C)c1 584903276 MNMFWPYUOPQKOD-KRWDZBQOSA-N 354.454 2.563 0 50 FFAA CCCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 95644698 XSWKENUNVGFSCU-UHFFFAOYSA-N 361.305 2.556 0 50 FFAA in-vitro O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(-c2ncn[nH]2)cc1 184489187 BBUUDGQUEQVYRC-UHFFFAOYSA-N 363.356 2.572 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 184406535 VWOYMJUKEIFAOU-LLVKDONJSA-N 374.807 2.922 0 50 FFAA CCOC1CC(CNc2ncnc3c(C)cccc23)(N2CCOCC2)C1 302800590 CCYWPNYCBFNQNU-UHFFFAOYSA-N 356.470 2.620 0 50 FFAA C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCO1 273576477 OUTGPIUTYVUXGB-BHIYHBOVSA-N 358.482 2.542 0 50 FFAA O=S(=O)(C[C@H]1CCCO1)NC1CCC(Oc2ncccc2Cl)CC1 188615233 MINYKTGLCXPFLR-JXQTWKCFSA-N 374.890 2.523 0 50 FFAA CC1(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCC1 191610487 JXPGITUCQTWDRR-HNNXBMFYSA-N 351.397 2.698 0 50 FFAA Cc1nc([C@H](NC(=O)CCC(=O)OC(C)(C)C)c2ccccc2F)no1 192312622 VLYJDPAUARTTML-MRXNPFEDSA-N 363.389 2.845 0 50 FFAA CN1N=C(C(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)CCC1=O 1506402293 VWAQBEPKESAFKK-UHFFFAOYSA-N 353.426 2.852 0 50 FFAA CC(C)CN1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1529192145 OSADRDDAJRLYBS-QFIPXVFZSA-N 359.558 2.941 0 50 FFAA COc1cccc2c1C1(CCN(C3CCN(C(C)=O)CC3)CC1)OCC2 1704339733 KDAAGTSRPICMAI-UHFFFAOYSA-N 358.482 2.570 0 50 FFAA COc1cc2c(cc1CN1CCC(c3ccn(C)c(=O)c3)CC1)OCCO2 1772807884 VDTIKKSOVHRAOM-UHFFFAOYSA-N 370.449 2.545 0 50 FFAA Cc1cnnn1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 11690571 GOTUNHRTMGQTLC-HNNXBMFYSA-N 361.405 2.567 0 50 FFAA CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCCN(CCCc2ccccc2)C1 12003220 QIDUIXAEXFXYNC-JNCYCUAHSA-N 366.509 2.989 0 50 FFAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)CCNC(C)=O 12443201 KUUYPUHAZQQBIM-UHFFFAOYSA-N 373.541 2.624 0 50 FFAA CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NC1CCCC1)CC2 14748240 TYTZZBXTNWEJLR-KRWDZBQOSA-N 352.482 2.681 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCC[C@@H](C)C2)c1 14996056 HGTHHQLUZHXRHF-OAHLLOKOSA-N 361.486 2.515 0 50 FFAA O[C@H](CN1CCC(Oc2cccc(C(F)(F)F)c2)CC1)C1CCNCC1 1857674032 YIPZIAQGECOTPR-GOSISDBHSA-N 372.431 2.909 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)no1 1857717506 WIQFDBBLDKUOOR-YQQAZPJKSA-N 361.829 2.581 0 50 FFAA O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(CN2CCOCC2)on1 206456937 NZYGKWQZTFDSJR-MOPGFXCFSA-N 369.465 2.963 0 50 FFAA Cc1nc(CCC(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n[nH]1 209997664 SZTZIFKRBYHVIW-MOPGFXCFSA-N 364.449 2.576 0 50 FFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccncc1F 328616780 CAGNAVALTGSMFY-JTQLQIEISA-N 356.323 2.771 0 50 FFAA O=C(NC1CCCC1)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241368042 MJOXEARKQDTSGG-LBTBCDHLSA-N 368.433 2.820 0 50 FFAA COCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@@H]3CCOC(C)(C)C3)cc2)n1 23215088 BZEFBNHTNJATDT-GOSISDBHSA-N 371.481 2.973 0 50 FFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c(c2)OCCO3)N1 34792484 PFHXTNFFMKIEPW-APWZRJJASA-N 364.401 2.716 0 50 FFAA in-vitro CO[C@H](C)C(=O)OCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 919594956 ACZPCEBDQAEAHO-LLVKDONJSA-N 359.344 2.775 0 50 FFAA COc1cc(NC(=O)C(=O)N2CCSc3ccccc3C2)cc(OC)c1 1875263416 NYECNFFXZROZJU-UHFFFAOYSA-N 372.446 2.777 0 50 FFAA C[C@@H]1c2cnccc2CCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 1875297871 GQBCTWQDFDZMMG-OAHLLOKOSA-N 368.462 2.634 0 50 FFAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC[C@@H](n2ccnn2)CC1 1875311311 UITPWIUIAHCUKD-LLVKDONJSA-N 368.363 2.696 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCCc3nc(C)ncc32)cc1 1875373498 CRLNBBHEKJBVJI-SFHVURJKSA-N 350.422 2.741 0 50 FFAA O=C(NC[C@]12CCCC[C@@H]1N(c1nnc(C(F)F)o1)CC2)[C@H]1C[C@@H]1F 1875405107 QXVLTPUJFCQQAS-ZGNZKYAMSA-N 358.364 2.621 0 50 FFAA Cc1nc(=NC2[C@H](C)CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)s[nH]1 1875406528 GPQNSVRTEMJVQI-NXEZZACHSA-N 358.458 2.599 0 50 FFAA CC(=O)c1c(C)cc(NC(=O)C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1C 890056279 TZUVIMVICZVMCR-WBVHZDCISA-N 360.454 2.764 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1C 12203188 WFJHWSMIRBTMPP-DNVCBOLYSA-N 350.418 2.562 0 50 FFAA O=C(c1cccc(O)c1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2100540061 BNJHDXNJAXEFJG-NRFANRHFSA-N 365.433 2.585 0 50 FFAA NC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(F)c(F)c2)cc1 9341628 DAAALDLMNWIICE-UHFFFAOYSA-N 366.331 2.936 0 50 FFAA Cn1cc(CNCCc2c[nH]c3c(Br)cccc23)ccc1=O 2325856485 RHTGVRVIRQVZBE-UHFFFAOYSA-N 360.255 2.961 0 50 FFAA CCCCn1nnnc1N1CCc2ccc(Br)cc2CC1 2325867078 KBRQKSOAZVJPJK-UHFFFAOYSA-N 350.264 2.841 0 50 FFAA O=C(COC(=O)c1ccc2cccnc2c1)NC[C@@H]1Cc2ccccc2O1 2325868898 PPQVVZILYJEWPX-KRWDZBQOSA-N 362.385 2.512 0 50 FFAA COC(=O)c1cnc(N2CCC([C@H]3CCCCCN3C(C)=O)CC2)s1 892438709 MHXGOWCSUOEMFB-OAHLLOKOSA-N 365.499 2.937 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CCCN(C(C)(C)C)C1=O)CC2 897508052 BGVYGKUJKOYSLR-GOSISDBHSA-N 358.482 2.660 0 50 FFAA CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccccc1Cl 843929 BTPILFQREXYLPY-CYBMUJFWSA-N 361.781 2.859 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 1148379 AZRSAOPZLOSRKP-UHFFFAOYSA-N 353.371 2.568 0 50 FFAA CCn1cc(-c2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)c(C)n1 2356157855 UOIFMYYJBBXAIS-CQSZACIVSA-N 350.426 2.573 0 50 FFAA COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 2852618 RTLSWZAAVYYDQB-NSHDSACASA-N 368.842 2.654 0 50 FFAA CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3557650 BNWCASURPSHBKL-UHFFFAOYSA-N 374.462 2.522 0 50 FFAA CCOc1ccccc1NC(=O)CSc1n[nH]c(=O)n1-c1ccccc1 4842524 HFYQXVXNIFCCPY-UHFFFAOYSA-N 370.434 2.690 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)CC1 6742237 PMDQKGUKRVSLDM-ZYKFHVCXSA-N 370.493 2.776 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CO2 10682564 CKQJSOCGGAMVOX-UHFFFAOYSA-N 350.296 2.776 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100797032 WXARGYIITZDDHS-JNTOWMKISA-N 368.477 2.591 0 50 FFAA CCNC(=O)[C@H](C)N1C(=O)C2(CCN([C@H](C)CC)CC2)Nc2ccccc21 55165864 LCQRYHYEIFYBSZ-CVEARBPZSA-N 372.513 2.603 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1CN1CCOCC1 55816358 OCYCOPSWUHAERL-UHFFFAOYSA-N 364.449 2.966 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)NCCn3c(C)cc(C)nc3=O)c(C)c2c1 67850892 WJLMTAJWVDUEFA-UHFFFAOYSA-N 352.438 2.697 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67654447 IQSCIBONHIDGAZ-OAHLLOKOSA-N 354.454 2.688 0 50 FFAA CC(C)(C)c1cn(C2CCN(S(=O)(=O)c3cccs3)CC2)nn1 63872516 NPDRELAOECLIME-UHFFFAOYSA-N 354.501 2.663 0 50 FFAA Cc1nc(CNC(=O)c2ccc([C@H]3CCCN3CC(=O)O)s2)cs1 20512405 NAWQYPHVXVEQDN-GFCCVEGCSA-N 365.480 2.665 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 36056672 ZPZXBSYRQXXUMN-MNEFBYGVSA-N 369.465 2.932 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2)[C@@H](c2cccnc2)C1 252478588 APYQPAIMTHHPHX-QGZVFWFLSA-N 368.437 2.911 0 50 FFAA O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 4978620 QEPWHIXHJNNGLU-QGZVFWFLSA-N 369.373 2.843 0 50 FFAA biogenic CN(Cc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCOC(C)(C)C1 216240969 OZZUEEUOSRURAO-LJQANCHMSA-N 362.514 2.787 0 50 FFAA O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@@H](Nc2ccccc2)C1 330116574 VQUZTSQPBJNOKU-HXUWFJFHSA-N 371.506 2.866 0 50 FFAA COCCCN1C[C@@]2(CCCN(C(=O)c3cccc(C)c3O)C2)CCC1=O 77407295 AMTXEZIDQADLMX-OAQYLSRUSA-N 374.481 2.582 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCn3cncc3C1)O2 72121649 MTSCBBRPHNHBNG-HXUWFJFHSA-N 355.438 2.640 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCOC[C@H](CO)C2)cc1F 77470278 XOVYLWQMJIANPG-KRWDZBQOSA-N 357.425 2.806 0 50 FFAA COc1cccc(C2(C(=O)N3CCC[C@H](N4CCNC4=O)C3)CCCC2)c1 363506936 PRISGOBIXFBKJP-KRWDZBQOSA-N 371.481 2.523 0 50 FFAA CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N2CCOCC2)cc1 72437081 LULKNXYGNCAACZ-LJQANCHMSA-N 359.514 2.908 0 50 FFAA O=C(Nc1ccccc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72117528 MCWLIXAIZFWCCT-UHFFFAOYSA-N 366.469 2.821 0 50 FFAA Cc1ccc(C2(C(=O)N[C@H](Cc3ccccc3)C(=O)O)CCOCC2)cc1 262092790 IDANMJSHXFUYIL-LJQANCHMSA-N 367.445 2.855 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCOC4(CCOCC4)CC3)c12 372201395 NGVWZMXYLALQNQ-UHFFFAOYSA-N 371.437 2.820 0 50 FFAA CC(C)n1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)n1 280675928 FJBLFVZOTIHNKG-UHFFFAOYSA-N 359.405 2.593 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2 223768002 XHFCXTNRDIAUNE-GOSISDBHSA-N 370.428 2.713 0 50 FFAA Cc1nc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)c(C)o1 82172125 LGISZHHVARNGHY-UHFFFAOYSA-N 371.485 2.956 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)CCc3cccc(Cl)c3)cc2C1 82098743 XIIGGDRXQDDGBF-UHFFFAOYSA-N 374.872 2.538 0 50 FFAA CCCN1CCC[C@@H](CNC(=O)N2CCCN(c3ccnc(C)c3)CC2)C1 426536555 TUGNNNDEHCCFAW-IBGZPJMESA-N 373.545 2.734 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 175887896 OOVBQDVDIBXDIT-WBVHZDCISA-N 357.433 2.835 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(Oc2ccccc2C)CC1 82115407 RGXWFDPHPNTOSP-QGZVFWFLSA-N 360.454 2.986 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)n1C1CC1 82096232 LZXCEAJLZRSDTK-UHFFFAOYSA-N 367.497 2.623 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 91860804 TXERJAYFGJGPJX-LBPRGKRZSA-N 369.368 2.919 0 50 FFAA COc1cc(OC)cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 95356419 GOJYIPHVAVPKRV-WMLDXEAASA-N 372.465 2.567 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3cc(CN4CCCC4)cs3)C2)n1 426504399 BELHUBMXPJEKIP-GOSISDBHSA-N 374.554 2.912 0 50 FFAA O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(Br)cc1Cl 239432976 XAOXJXJVFDBOOJ-LBPRGKRZSA-N 372.694 2.821 0 50 FFAA CC(C)(C)c1ncc(C(=O)N2CCC(Oc3ccncc3)CC2)c(O)n1 91997183 HOZJTFHVXSKIKJ-UHFFFAOYSA-N 356.426 2.558 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cscn1)CC2 91416501 TVJGAWPYDLWUOH-UHFFFAOYSA-N 359.499 2.656 0 50 FFAA O=C(CC[C@H]1CCCN(Cc2ncon2)C1)NCc1ccc(F)c(F)c1 95502940 LCLBZUTZVHMXDT-CYBMUJFWSA-N 364.396 2.656 0 50 FFAA CC[C@H](NC(=O)CCc1n[nH]c(C)c1C)c1ccc(S(C)(=O)=O)cc1 97642022 MIWBIHRSENNDOF-INIZCTEOSA-N 363.483 2.630 0 50 FFAA COc1ncccc1NC(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 244633620 GGBMCTMPZDKWPL-SFHVURJKSA-N 366.465 2.623 0 50 FFAA O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1Cc1ccc(CO)cc1 180045072 QOXKAJBFPZQJLL-UHFFFAOYSA-N 364.401 2.612 0 50 FFAA CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@@H](COc2ccccc2)O1 297165060 SDDKCRINODYJJE-KRWDZBQOSA-N 355.438 2.528 0 50 FFAA COC(=O)c1cn(CCOc2cccc3ccccc23)cc2c(=O)[nH]nc1-2 263587585 IRFILWGEKOMDCK-UHFFFAOYSA-N 363.373 2.695 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2ccccc2F)CNC3=O)c1 263619218 XMZNOHAKVUPLCS-IBGZPJMESA-N 366.396 2.730 0 50 FFAA O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1COc2ccc(F)cc2C1 1324625992 VZFNWUSPIMTFKU-AEFFLSMTSA-N 371.408 2.969 0 50 FFAA CNS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C 299785032 PWLOIXOXIRMCGW-UHFFFAOYSA-N 369.531 2.952 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(-c2cnccn2)c1 299783325 ZHGQAOIPQOSLKS-FQEVSTJZSA-N 373.460 2.933 0 50 FFAA C[C@@H](CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1 299798033 PSIRSRHSQSPDET-INIZCTEOSA-N 363.933 2.904 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1)N1CCN(C2CCCC2)C(=O)C1 299784480 PISPGGWDMDHXIP-UHFFFAOYSA-N 367.453 2.550 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)c(C)cc1Cl 827926852 DHMZJNKJGGKHBE-AWEZNQCLSA-N 372.918 2.882 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1ccc(CN3CCCC3)o1)C2 824805023 ZLDXNWMIPOBYGT-OAHLLOKOSA-N 356.422 2.618 0 50 FFAA COc1ccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c(OC)c1 824576917 CAOPSXJJODIWFU-UHFFFAOYSA-N 359.455 2.679 0 50 FFAA CC(C)c1nc(CN(C)C(=O)NCc2nnnn2-c2ccccc2)cs1 584899403 BTNXEODQMPDEMQ-UHFFFAOYSA-N 371.470 2.584 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)N(Cc1ccncc1)C1CCCCC1 584896225 SJVARQZRJOYLNP-OALUTQOASA-N 360.502 2.645 0 50 FFAA CC(=O)N[C@H]1C[C@@H](c2cccc(O)c2)O[C@@H](c2ccc3c(c2)nnn3C)C1 1565526239 YJGUPQGGQMVLIF-RYGJVYDSSA-N 366.421 2.771 0 50 FFAA O=C(CN1CCN(c2ncc(C(F)(F)F)s2)CC1)Nc1ccccc1 302756281 IQYJHNZEACNVIY-UHFFFAOYSA-N 370.400 2.923 0 50 FFAA CCCCOc1ccccc1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 275709250 YDNAJECIVVZQOK-GOSISDBHSA-N 370.497 2.718 0 50 FFAA CN(C)C(=O)c1cccc(CN2CCC[C@H](Oc3ncccc3F)C2)c1 278819273 IHHXIKSRQSKXOV-KRWDZBQOSA-N 357.429 2.966 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1Br 101209038 JRVCVQJAFKBAPN-OUJBWJOFSA-N 360.273 2.925 0 50 FFAA Cc1cc(S(=O)(=O)NCc2noc(CC(C)C)n2)c(Cl)cc1F 1506419448 CDPNIFJMCYWBGT-UHFFFAOYSA-N 361.826 2.848 0 50 FFAA Cc1ccccc1OCC(=O)N1CCCN(Cc2nnc(C(C)C)o2)CC1 1529114108 KWRGAVAJAKZRTL-UHFFFAOYSA-N 372.469 2.615 0 50 FFAA Nc1nc(NC[C@@H](c2ccccc2)N2CCCCCC2)c2ncnc-2[nH]1 1529111401 XGVOBIUOMPEMQR-HNNXBMFYSA-N 351.458 2.916 0 50 FFAA Nc1ncccc1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 211909564 FUZYQWZSRJZMHP-QAPCUYQASA-N 370.522 2.781 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704299516 SRORUCGUQAHGRX-YLJYHZDGSA-N 364.449 2.655 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(OCc3ccccn3)cc1)C2 1772712067 GTKKOGOVKBUGFQ-UTKZUKDTSA-N 368.433 2.584 0 50 FFAA CC(C)c1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1 5045647 MFTZLAHFGMDSEL-UHFFFAOYSA-N 365.433 2.733 0 50 FFAA CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccncc1 5118787 KBFHCZJPNUIIQY-UHFFFAOYSA-N 364.434 2.889 0 50 FFAA Cc1cc(C)c(C(=O)N2CC[C@]3(CCCN(Cc4cccnc4)C3=O)C2)o1 11665294 FNPRKONOIAHRLY-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA Cc1c([C@H](C)NC(=O)c2coc(COc3cccc(F)c3)n2)cnn1C 11843361 IAOHAADAMKPOHQ-NSHDSACASA-N 358.373 2.926 0 50 FFAA O=C(CN1CCCCCC1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 12438529 IPKXRICFKLPYCR-SFHVURJKSA-N 365.481 2.908 0 50 FFAA CCCCc1nc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)c[nH]1 12445738 CVKUXRQFGAKLJD-INIZCTEOSA-N 355.486 2.789 0 50 FFAA COCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12703426 BXUNZFLCQMKXAT-IBGZPJMESA-N 352.425 2.816 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 16381927 HGCKUGSVCARJJT-BETUJISGSA-N 358.891 2.750 0 50 FFAA CC(C)c1c(C(=O)N2CCOCC2)nnn1-c1cccc(C(F)(F)F)c1 16647479 BHUCQRDLJAALGA-UHFFFAOYSA-N 368.359 2.882 0 50 FFAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC1CCCCC1 16652234 OXQGLOZWCPPEGT-OAHLLOKOSA-N 352.438 2.957 0 50 FFAA CC(C)c1ccc(-n2cc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)cn2)cc1 1857669431 WDBRFOQSVXPWBP-GHTZIAJQSA-N 369.465 2.919 0 50 FFAA CC[C@H](OC)C(=O)N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 1857718922 AEKRFLHAOKJHNE-AWEZNQCLSA-N 361.486 2.711 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1n[nH]c2ccccc12 1857735051 FGEMKQAKSKIOTG-JTDSTZFVSA-N 362.433 2.507 0 50 FFAA Cc1cccc2c(CCC(=O)N(CCC(=O)O)C3CCOCC3)c[nH]c12 237759799 VGLYBTQHUBJONE-UHFFFAOYSA-N 358.438 2.891 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1=O)c1cccc(CN2CCCC2)c1 129008243 FTLSGIWZYOIYQP-SFHVURJKSA-N 350.418 2.656 0 50 FFAA Cc1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 369307410 NLMICKOCPAFRRI-AWEZNQCLSA-N 358.417 2.789 0 50 FFAA C[C@H]1CC[C@H](CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)O1 369794990 QANTZXBBZVGASW-DOTOQJQBSA-N 354.454 2.559 0 50 FFAA C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 1875252736 MZYSLKKKMFKCAC-ZOBORPQBSA-N 364.877 2.521 0 50 FFAA C[C@H]1CCc2nc(Cn3cc(C(N)=O)c(=O)c4ccccc43)sc2C1 1875281022 LJVAZUWVEBRRTE-NSHDSACASA-N 353.447 2.730 0 50 FFAA O=C([C@H]1CC(c2ccncc2)=NO1)N1CC[C@@H](C(F)(F)F)C(F)(F)C1 1875396499 JTJRREKGWMAPGD-VXGBXAGGSA-N 363.286 2.621 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N3CC[C@H](CO)[C@@H](c4ccccc4)C3)c2C1 1875308686 RUELCFHRBINUDE-QGPMSJSTSA-N 353.466 2.773 0 50 FFAA C[C@@H]1CCN(c2cnc(F)cn2)C[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 1875333850 NXPYABOORTULBY-CJNGLKHVSA-N 367.428 2.989 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@H](NC(=O)[C@@](C)(F)C(C)(C)F)C2)o1 1875359862 RKLOLXLAVVTQBQ-YVEFUNNKSA-N 357.401 2.570 0 50 FFAA CC[C@@H](CNC(=O)C1(C(C)(C)C)CCC1)NC(=O)[C@@H]1CCCC[C@H]1O 1875332716 GJLFQULRPJEMAU-ARFHVFGLSA-N 352.519 2.765 0 50 FFAA CO[C@@H]1CCCCN(CC(=O)Nc2ncccc2-c2ccccc2)C1=O 886074556 CDPRJHUZQSAAQN-QGZVFWFLSA-N 353.422 2.715 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C(F)(F)F 886038068 CUALVSUFEYXACC-GWCFXTLKSA-N 350.287 2.636 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 897730033 IWZLNPIFCWXPLP-FQEVSTJZSA-N 362.437 2.846 0 50 FFAA CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3 38191709 IQUGPRHKZNCHGC-HLAWJBBLSA-N 367.401 2.505 0 50 FFAA biogenic Cc1cccc(N2CCN(CCCCNC(=O)N3CC[C@H]3CF)CC2)c1 2325803405 FICSDLCNDBAWCF-IBGZPJMESA-N 362.493 2.651 0 50 FFAA Cc1cccnc1CN(C)[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 2325839065 HSZVFUAUDJNVKN-INIZCTEOSA-N 353.470 2.727 0 50 FFAA O=S(=O)(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 640091 ISLGMFCNZJGDTA-UHFFFAOYSA-N 366.247 2.661 0 50 FFAA O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 717956 XZDAWXYZDBMQMI-UHFFFAOYSA-N 363.410 2.633 0 50 FFAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2nccs2)CC1=O 1072275 CTCCWXPIQXHPKF-VIFPVBQESA-N 351.815 2.797 0 50 FFAA Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1150777 MIYONXGBJVBBRD-CQSZACIVSA-N 365.385 2.714 0 50 FFAA CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 2309141 CYRUTUNJXWLGRB-UHFFFAOYSA-N 361.401 2.993 0 50 FFAA O=C(NCc1nc(O)n[nH]1)c1cccc(-c2cnc3cc(F)ccc3c2)c1 2356169678 GYKNWSMABRFVBY-UHFFFAOYSA-N 363.352 2.795 0 50 FFAA C[C@@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1ncccc1O 55224720 BUFFDFVGGRSSBG-GFCCVEGCSA-N 354.410 2.517 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21 230231758 IHORXHJGKQCJPP-HDMKZQKVSA-N 356.495 2.612 0 50 FFAA CSc1ncc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)cn1 104294195 KNYLDDGDGRPFDN-LJQANCHMSA-N 372.538 2.576 0 50 FFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1 20166380 GVIZWIYETLNLHI-UHFFFAOYSA-N 363.845 2.756 0 50 FFAA Cc1ccc2nc(CCNC(=O)[C@@]34CC[C@@](C)(OC3=O)C4(C)C)[nH]c2c1 67981653 VSAUMKXDQFFEEP-UXHICEINSA-N 355.438 2.652 0 50 FFAA CCN(CC)c1ccc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1 67460420 UVFABYUKWPGTSM-UHFFFAOYSA-N 372.557 2.775 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)N[C@H]3CCCC3(C)C)CC2)n1 121271608 DMQAPGGMGKJUNC-HNNXBMFYSA-N 361.490 2.676 0 50 FFAA O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 248909028 MNBRFFVZJXLARV-OLMNPRSZSA-N 365.905 2.937 0 50 FFAA Cc1cc(NC(=O)CNCCc2nc(-c3cccnc3)n[nH]2)ccc1Cl 65371299 DJLPJXYWUGYLKR-UHFFFAOYSA-N 370.844 2.599 0 50 FFAA CSc1cccc(CN(C)Cc2cc3n(n2)CCN(C(=O)N(C)C)C3)c1 72420060 FRRUHNAIJWMFGK-UHFFFAOYSA-N 373.526 2.734 0 50 FFAA Cc1c(S(=O)(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)cnn1C 72133222 HIEXUGNTEMOLJB-MRXNPFEDSA-N 363.483 2.610 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237563938 KOKLVSYDACKESU-NSHDSACASA-N 360.332 2.505 0 50 FFAA CCn1cccc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1=O 333942283 PTIUBOZUJQAPKY-INIZCTEOSA-N 352.438 2.537 0 50 FFAA COc1ccc(N2CCN(Cc3ccc(CC(=O)O)cc3)[C@H](C)C2=O)cc1 77407305 RFKCYCLDFSFORK-OAHLLOKOSA-N 368.433 2.560 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)on1 72159316 KLQHBTFDIQGVHN-INIZCTEOSA-N 359.401 2.543 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)c2csc(C(C)=O)c2)CC1 77298979 ZZSVIMFLZIRJRF-UHFFFAOYSA-N 372.446 2.558 0 50 FFAA CNc1cc(-n2nc(C)cc2NC(=O)Cc2c(F)cccc2Cl)ncn1 253428974 RPRDFYGPWKNFBV-UHFFFAOYSA-N 374.807 2.986 0 50 FFAA CC[C@@H](O)CNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72463430 AANUUEJQMQDMJB-CQSZACIVSA-N 360.889 2.982 0 50 FFAA CC1(C)C[C@@H](NC(=O)Cc2ccccc2C(N)=O)c2ccc(F)cc2O1 364614599 FITVGKOCVYQNFP-MRXNPFEDSA-N 356.397 2.886 0 50 FFAA Cc1cccc2c(CCC(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)c[nH]c12 155496586 XWAVYBRDCCYRAG-AWEZNQCLSA-N 367.371 2.688 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 72435409 SRPGMAAUTJXFHD-ZWKOTPCHSA-N 370.474 2.595 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCCc3cc(C)no3)C2)c1 375923389 ULUWOVICBBDTGP-QGZVFWFLSA-N 369.465 2.811 0 50 FFAA O=c1n(Cc2ccc(F)cc2)nc([C@@H]2CCCNC2)n1-c1ccccc1 71721491 DFHVSDGDJWTTCB-MRXNPFEDSA-N 352.413 2.688 0 50 FFAA COc1ccc(OC(F)F)c(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)c1 263347568 OZVPOYTZARLIKS-PWSUYJOCSA-N 372.368 2.549 0 50 FFAA COCc1ncc(CN2CCC[C@H](COc3ccc(OC)cc3)C2)cn1 72165206 YVGXELVJPQBNKK-INIZCTEOSA-N 357.454 2.923 0 50 FFAA O=C(O)c1ccnc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1 263415978 NXHMPMNEOLFBSQ-UHFFFAOYSA-N 354.406 2.849 0 50 FFAA O=C1N[C@]2(C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccccc21 40266378 ZUSSRYJUWOSWTE-GOSISDBHSA-N 355.781 2.545 0 50 FFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]2C=C[C@H]1C2 222424995 LYURIHUNSUUWJM-UOVPBQLFSA-N 374.868 2.507 0 50 FFAA CCCNC(=O)CCC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 291283349 SCTJHSVWTIBMMN-LJQANCHMSA-N 359.514 2.711 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1ccc2ccccc2c1=O 95502103 QPJANFDTBQZADK-UHFFFAOYSA-N 368.437 2.632 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(Cl)c1)CC2 91289631 RFCKBEWYJMCFGE-UHFFFAOYSA-N 368.836 2.768 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3csc(N4CCCC4)n3)[nH]n2)o1 97495115 NGGLPZNKAKBJPQ-UHFFFAOYSA-N 357.439 2.965 0 50 FFAA O=C1C[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)Oc2ccccc21 91473924 VFGBOHBVDVVNRN-GOSISDBHSA-N 353.403 2.646 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(=O)n2cc(Cl)ccc2n1 294286813 UOXUIWZYEWZQQW-GLQYFDAESA-N 361.829 2.566 0 50 FFAA CCCN1CCC[C@@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O 91526420 MNOXELVWYKEIBP-QFIPXVFZSA-N 371.525 2.748 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O 92019306 MOHHAQLNDGJHHU-QFIPXVFZSA-N 371.525 2.746 0 50 FFAA O=C(CN1C(=O)C[C@]2(CCc3ccccc32)C1=O)NCCC1=CCCCC1 180687635 OBIGIXVVHXNTPO-QFIPXVFZSA-N 366.461 2.636 0 50 FFAA CCN(CC)CCN1C(=O)c2ccccc2[C@@H]1S(=O)(=O)c1ccccc1 96027025 GIXBXIKPFQMZDI-FQEVSTJZSA-N 372.490 2.957 0 50 FFAA O=C1NCCC[C@@]12CCN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 91575546 XZHBMEXCGQVQTA-IBGZPJMESA-N 356.857 2.899 0 50 FFAA CC1(C)SC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)NC1=O 97551490 XJCOZLAMCKYEIG-MRXNPFEDSA-N 358.507 2.503 0 50 FFAA O=C(Cc1cccnc1)N1CCC(c2nccn2Cc2ccccn2)CC1 91645073 TXVQXYGFMUXXKA-UHFFFAOYSA-N 361.449 2.670 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CC3CCCC3)C[C@H]2C(=O)O)c1OC 91974408 VEAOXIPAEOLPKO-JKSUJKDBSA-N 361.438 2.911 0 50 FFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(OCc3ccccc3)c2)C1 95503515 TYUXBWNUFRBQGO-MOPGFXCFSA-N 369.465 2.794 0 50 FFAA Cc1cccc([C@H](c2nc(CC(N)=O)nn2C2CCCCC2)N(C)C)c1 96136739 SCTOAITUISCDLI-LJQANCHMSA-N 355.486 2.771 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCCN(C)C2(CCNCC2)C1 243901794 BDZZQURRMQOOKN-GOSISDBHSA-N 373.541 2.865 0 50 FFAA O=S(=O)(CCc1cc(Cl)c2c(c1)OCCCO2)c1ccccn1 183508553 DITWEDHNBITHSW-UHFFFAOYSA-N 353.827 2.913 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1nc(O)nc2ccccc12 253534788 CXZIYHXVSXXAFN-JRPNMDOOSA-N 355.419 2.639 0 50 FFAA O=C(CSCCN1CCCC1)NCc1cc(-c2cccc(F)c2)no1 252488371 IQPJBYREYMCIEF-UHFFFAOYSA-N 363.458 2.926 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)c1C 48441267 JDTLLANRRBJKAN-MRXNPFEDSA-N 355.486 2.641 0 50 FFAA Cc1ccc(C(=O)N[C@H]2COC3(CCCCC3)C2)cc1N1CCNC1=O 299792128 GOPUDVLKKYEZEX-MRXNPFEDSA-N 357.454 2.746 0 50 FFAA COc1cc2cc(CNCCO)c(=O)n(CC3CCCCC3)c2cc1OC 299785566 MDMWEKYBKFNZSU-UHFFFAOYSA-N 374.481 2.681 0 50 FFAA CC(C)Oc1cccc(-c2cccc(C(=O)N3CC[C@](O)(CO)C3)c2)c1 299784518 PLKONDLWPURFSW-OAQYLSRUSA-N 355.434 2.710 0 50 FFAA CCc1csc(CNS(=O)(=O)c2ccc(-c3ccno3)s2)n1 823543021 QBKRULRHSFQCJY-UHFFFAOYSA-N 355.466 2.901 0 50 FFAA O=C(Nc1ccc([C@@H]2CNCCO2)cc1)NC1([C@H]2CCCCO2)CCC1 868171813 UPPGPQHXOKPNGW-ZWKOTPCHSA-N 359.470 2.961 0 50 FFAA COC(=O)[C@H]1CN(C(=O)c2ccccc2CN(C)C)Cc2ccccc21 1875268778 PHWJIZFZRLSUPC-IBGZPJMESA-N 352.434 2.661 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@@H]2C[C@H](O)C(F)(F)F)c2c(C)n[nH]c2n1 1875313849 YVSXUQDSYOTEGQ-YPMHNXCESA-N 370.375 2.883 0 50 FFAA C[C@H]1[C@H](N=c2nc(C3CC3)[nH]s2)CCCN1C(=O)CCc1ccoc1 1875303233 GBGSAKDIWIIUHJ-SWLSCSKDSA-N 360.483 2.855 0 50 FFAA COCc1csc(C(=O)N[C@]2(C)CCN(Cc3cncc(C)c3)C2)c1 1875406507 GCOFYXDBMTVQTI-LJQANCHMSA-N 359.495 2.992 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(OCc2cccc(F)c2)c1 1565514853 OIKWFAHBSKMHEX-OALUTQOASA-N 359.397 2.938 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N[C@H]1CCNC[C@@H]1O 1565509519 HGZZQXMTDNVKOG-HKUYNNGSSA-N 369.465 2.543 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccn(-c3ccc(F)cc3F)n2)C1 888079128 BJUADVVDIHKRKS-RHSMWYFYSA-N 359.380 2.836 0 50 FFAA Cc1nc(C)n(C[C@H]2CN(Cc3csc(C(F)(F)F)c3)CCO2)n1 888100624 VONYRIFSUVPJRO-CYBMUJFWSA-N 360.405 2.876 0 50 FFAA CC(C)N(C)Cc1cccc(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)c1 275566507 QGXQAAIOUOYVNC-GOSISDBHSA-N 370.497 2.694 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c(Cl)c2)[C@H]2CCO[C@H]21 1074577079 RQTFUBOGEZCVFM-IDCJVQTKSA-N 364.873 2.720 0 50 FFAA O=C(O)c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 170612871 SPSFLPCKOGUNSO-UHFFFAOYSA-N 365.389 2.836 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCN(c2cccnn2)CC1 172974928 OKLJLQNVWOACGA-UHFFFAOYSA-N 357.483 2.862 0 50 FFAA CC[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)CCN1Cc1ccccc1 190232396 WTOWOTAERNIOBS-QGZVFWFLSA-N 355.486 2.770 0 50 FFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCCc1ccc2nc(O)[nH]c2c1 734798928 JUJGTJGPCRLYEK-INIZCTEOSA-N 365.437 2.883 0 50 FFAA CCCN1CC[C@H](NS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)C1 1506396040 MISJAJBRHLQCFX-ZDUSSCGKSA-N 369.512 2.783 0 50 FFAA Cc1cnc([C@H](C)NS(=O)(=O)c2ccc(-c3onc(C)c3C)o2)[nH]1 1506418018 NMDQMYCIPVWWJB-NSHDSACASA-N 350.400 2.622 0 50 FFAA CC1=CC2(CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)OCC1 1704316548 UKCJOKGBNGUBPJ-SFHVURJKSA-N 358.486 2.769 0 50 FFAA Cn1cncc1CN(CCO)C(=O)C[C@@H](c1ccccc1)c1ccco1 1704337728 YRCJVIJMAXDVRG-SFHVURJKSA-N 353.422 2.556 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cccs3)CC2)nc(N2CCCC2)n1 1772812401 HZYVLLXISQVNBX-UHFFFAOYSA-N 371.510 2.799 0 50 FFAA CN(C[C@@H]1CCCCO1)c1nc2nonc2nc1NCc1ccccc1 11841929 IKGARZHDMRXQEQ-AWEZNQCLSA-N 354.414 2.630 0 50 FFAA CC(C)(CO)CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 11997750 VDWCCXBCZXYTMA-UHFFFAOYSA-N 358.438 2.881 0 50 FFAA Cc1ccc(CN2C[C@@H]3C[C@@H](c4cnn(C)c4C)N4CCC[C@@]34C2=O)o1 12199295 FLRZFTWRUUUZRM-QSFXBCCZSA-N 354.454 2.568 0 50 FFAA O=C(CN1CCCCCC1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12438528 IPKXRICFKLPYCR-GOSISDBHSA-N 365.481 2.908 0 50 FFAA CCn1ccnc1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 13594671 ZEKOWAMOXCBCDT-UHFFFAOYSA-N 362.336 2.678 0 50 FFAA Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)c1 13679972 KGOGMPDRTLLELW-INIZCTEOSA-N 352.500 2.861 0 50 FFAA CNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 16626159 TURIQNYWQRJIDZ-UHFFFAOYSA-N 358.463 2.507 0 50 FFAA CCN(CC)CCc1nnc(NC(=O)NCCc2ccc(C)o2)s1 19111442 SNGDKAQJKOIMMD-UHFFFAOYSA-N 351.476 2.688 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)CCc1nc3ccccc3s1)C2 1857689202 ISJMTIUDVJCMBQ-GOSISDBHSA-N 359.451 2.672 0 50 FFAA O=C([C@H](O)C1CCCCC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857709885 WLKVUQONNQNRPF-HXUWFJFHSA-N 353.466 2.945 0 50 FFAA Nc1cccc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)n1 1857726802 CWZTWAUKCHFWCU-SJLPKXTDSA-N 367.449 2.551 0 50 FFAA CC(C)(C)NC(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875244707 ZZNOKFVJRVWBDN-OXQOHEQNSA-N 362.470 2.655 0 50 FFAA Cc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cc1 216297128 HNZGRIAULNQSGQ-AEFFLSMTSA-N 369.490 2.644 0 50 FFAA C[C@H]1CCN(C(=O)c2cn(C3CCNCC3)nn2)[C@H]1c1cccc(F)c1 237705207 TXZQVJUJCDOSKW-SCLBCKFNSA-N 357.433 2.565 0 50 FFAA CC(C)N1CCC(NC(=O)CN2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 239722401 CCRPLLYLWWNIJH-HNNXBMFYSA-N 363.468 2.886 0 50 FFAA O=C(C1CCCC1)N1CC[C@H](Nc2nc(C(F)(F)F)nc3[nH]cnc23)C1 240321585 FANXWQDFTGNQGM-JTQLQIEISA-N 368.363 2.575 0 50 FFAA Cc1cc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)ccc1F 131784211 VEUDWEZTWXDYCI-AWEZNQCLSA-N 356.405 2.688 0 50 FFAA C[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1nnnn1C1CC1 252490325 KPNXBRNVVQGXHY-LBPRGKRZSA-N 350.382 2.686 0 50 FFAA C[C@@H](O)CCN(C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 151984700 KVXOCIPTHRPFQV-OAHLLOKOSA-N 367.921 2.964 0 50 FFAA O=C(CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1)NCc1ccccc1F 375684337 FHDWISXCZLCJDZ-MOPGFXCFSA-N 356.441 2.540 0 50 FFAA CCC[C@@H]1CCCN1C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 912464236 QTTLYUVTDSYZQM-LJQANCHMSA-N 372.513 2.829 0 50 FFAA Cc1cc(S(=O)(=O)NCc2ccncc2)c(C)cc1Br 6023435 OIELQPQJJUTQRQ-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA Cc1ccc([C@H](C)[C@@H](O)C(=O)NC[C@@H](C(=O)O)c2cccc(C)c2)cc1 2325851817 KRPHKIDTLCBTFY-KFKAGJAMSA-N 355.434 2.752 0 50 FFAA O=C1CN(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc(Br)cc1 100900292 WHTIWLXHQBMAPL-OAHLLOKOSA-N 373.206 2.620 0 50 FFAA CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CC[C@@H](C)C4)c1N 628626 RTWZQWCXHBMYHE-SECBINFHSA-N 357.439 2.761 0 50 FFAA NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1155027 CWWDIJYWYOUWTQ-UHFFFAOYSA-N 373.261 2.670 0 50 FFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2nc(C(F)(F)F)[nH]c2c1 2356159134 NITYYNQPFWEUJB-CZMCAQCFSA-N 355.316 2.955 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 4066264 AYAVTELKONNURK-GOSISDBHSA-N 352.390 2.937 0 50 FFAA O=C(NCCc1nc(C2CCCCC2)cs1)[C@H]1CCc2[nH]nnc2C1 283227291 YQNLOLUJHUYPPU-ZDUSSCGKSA-N 359.499 2.773 0 50 FFAA CN(Cc1ccc2nonc2c1)Cc1nc(Cc2ccccc2F)no1 55255137 UHTXOPKNABBXEH-UHFFFAOYSA-N 353.357 2.968 0 50 FFAA Cc1ccc(C)c(CC(=O)N(Cc2cncnc2)[C@@H]2CCCNCC2)c1 328628426 HFNKGZCLBHLLMC-HXUWFJFHSA-N 352.482 2.807 0 50 FFAA COC(=O)c1ccc(-c2nc3c([nH]2)C[C@H](c2ccccc2)CNC3=O)cc1 65460353 OALHUVXCAHFKJL-INIZCTEOSA-N 361.401 2.933 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)CC1 67804611 RGQSMPLPUJOHTH-MRXNPFEDSA-N 370.428 2.943 0 50 FFAA O=C1[C@H](N2CCN(c3cnc4ccccc4n3)CC2)CCN1c1ccccc1 329260247 YXRDUUXEUDVHTL-HXUWFJFHSA-N 373.460 2.557 0 50 FFAA C[C@H](Cn1cncn1)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67691713 IQXRUUKAEPMYJZ-OAHLLOKOSA-N 364.453 2.711 0 50 FFAA CN(C)[C@@H](C(=O)NCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 65396183 YILWCAHBKGUMMD-QGZVFWFLSA-N 354.385 2.795 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 329859329 ORWSFDXPKRPUAF-FNFWKMNBSA-N 350.484 2.813 0 50 FFAA Cc1cc(C)c2[nH]c(=O)c([C@@H]3CC(=O)NCc4nc5ccccn5c43)cc2c1 67983301 QVDVDTKHCUOBLY-HNNXBMFYSA-N 372.428 2.944 0 50 FFAA CCn1c([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)nn(C)c1=O 67856737 SOBFWCIEDCAJJI-INIZCTEOSA-N 351.454 2.530 0 50 FFAA O=C(CCc1cn[nH]c1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 12195384 QNCSGGFLYNQQQA-NRFANRHFSA-N 370.472 2.996 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCc2ccccc2O1 333171003 PUIGPBLPKNMBDN-LJQANCHMSA-N 371.458 2.763 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O 77297869 FIMTZWXWCDLXDE-HNNXBMFYSA-N 362.474 2.502 0 50 FFAA CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccc1OC1CCCC1)CC2 216232192 OUSGOSSHVDKNBV-UHFFFAOYSA-N 368.481 2.991 0 50 FFAA O=C1OC2(CCN(C(=O)c3cscn3)CC2)CN1CCc1ccccc1 77427396 FDZDGXAVECHKIS-UHFFFAOYSA-N 371.462 2.813 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@H]1CCCO1 71748105 SJKBOQPNFZDHPU-MRXNPFEDSA-N 358.486 2.817 0 50 FFAA CCN(C)S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 216283363 FXZBEZHUENBPRN-CYBMUJFWSA-N 353.271 2.563 0 50 FFAA CCCc1ccc([C@@H](C)NC(=O)CN2CCC3(CC2)CN(C)C(=O)O3)cc1 77485684 LNWPALZIPPFWMF-MRXNPFEDSA-N 373.497 2.733 0 50 FFAA C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(NC(N)=O)cc1 363349519 PLGNWTOWUNERQA-MRXNPFEDSA-N 366.465 2.914 0 50 FFAA CCN(C)C(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77437342 BLNUBHPJPGDXKN-UHFFFAOYSA-N 370.840 2.833 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 156870784 WCXBRQCGSTUYCO-GDBMZVCRSA-N 368.437 2.504 0 50 FFAA CCC(CC)(CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 262035013 BSKVESPKFRATAU-QGZVFWFLSA-N 374.481 2.617 0 50 FFAA Cc1nn(CCCNc2nccc(-c3cc(C(=O)O)ccn3)n2)c(C)c1C 77407466 RTNGYACRRQEVFB-UHFFFAOYSA-N 366.425 2.861 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1CC[C@H]1NC1Cc2ccccc2C1 72481326 QDLQRQAJYJIYLV-UXHICEINSA-N 353.466 2.628 0 50 FFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC(Oc2ccccc2Cl)CC1 77538757 BYPGYRMEEWDIAT-ZDUSSCGKSA-N 369.870 2.658 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)[C@H](C)c3cc4ccccc4o3)CCO2)c1 176367537 XEANSOBRDUSBOW-WBVHZDCISA-N 353.422 2.969 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82136962 GGMYDCXOWFQWJM-SFHVURJKSA-N 362.433 2.640 0 50 FFAA CCc1nc(C)sc1CNC(=O)Nc1ccc(F)c(C(=O)NC)c1 426475444 OVQBLYJHKSCJGG-UHFFFAOYSA-N 350.419 2.834 0 50 FFAA COc1ccc(S(=O)(=O)N(C)Cc2nn(C)c(Cl)c2Cl)cc1 20602164 MJOHXDMFPMNPLK-UHFFFAOYSA-N 364.254 2.556 0 50 FFAA CN1CCN(C)[C@H](CC(=O)NCCc2cccc(Oc3ccccc3)c2)C1 97819663 ZOSRMUCMBSHVQX-LJQANCHMSA-N 367.493 2.774 0 50 FFAA O=C([C@H]1CCCCn2nnnc21)N(Cc1cccnc1)Cc1ccsc1 97744650 UXIPYFJMOXDMLO-INIZCTEOSA-N 368.466 2.626 0 50 FFAA Cc1nonc1OCCNC(=O)c1ccc2nc(-c3ccccc3)cn2c1 95373303 KULSDCQKZGZHJH-UHFFFAOYSA-N 363.377 2.502 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCOCc2ccccc2)C1(C)C 92037213 CXCPWSFPFPLRTF-LAUBAEHRSA-N 360.498 2.850 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1C 95356569 HZOGQAMOCJFSIK-DOTOQJQBSA-N 371.481 2.697 0 50 FFAA Cc1nc(C2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)cc(=O)[nH]1 91846369 XMVFKRYHTMVWCU-UHFFFAOYSA-N 369.469 2.869 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCCSCc3ccccc3)nn2)CC1 247704890 CPZQNWXRGUQTKE-CALCHBBNSA-N 373.526 2.774 0 50 FFAA Cc1ccccc1CN(CCO)C(=O)N[C@H](C)c1nc(CC(C)C)no1 534639521 ARIRRBREJGNRFD-OAHLLOKOSA-N 360.458 2.842 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)C[C@@H]2CCCCO2)c1 299799742 ZRVXTODIRGJFJF-ZDUSSCGKSA-N 369.849 2.958 0 50 FFAA CCCn1cc(C(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)c(C)n1 823031278 FREOYMLSRTZGHM-CQSZACIVSA-N 365.861 2.733 0 50 FFAA C/C(=C\C(=O)N(C)C[C@H]1OCC[C@H]1c1n[nH]c(C)n1)c1ccccc1C 952889255 VQHAEVHDYCMVTA-ZBEVKASSSA-N 354.454 2.856 0 50 FFAA C=CC(=O)N[C@@H](CCN(C)C(=O)c1nn(C)c2ccc(F)cc12)C(C)C 1875386117 JFCDLRSNOSXVSP-HNNXBMFYSA-N 360.433 2.501 0 50 FFAA Cn1cc(NC(=O)c2cc3c(F)cc(F)cc3[nH]2)c(-c2ccnn2C)n1 1875344511 GFVAMSWUMRWHLK-UHFFFAOYSA-N 356.336 2.832 0 50 FFAA Cc1ncccc1C(=O)NC[C@H]1CC2(CC2)CN1c1ncncc1Cl 1875335633 AMWWPXHDYVRVFV-CYBMUJFWSA-N 357.845 2.622 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC4(CCC(O)CC4)CC3)nn(C)c21 1875404080 TYLFPLATZNJAOL-KGLIPLIRSA-N 361.486 2.600 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1coc2ccccc12 1565527763 NPGGZDWYGXQIQO-RDJZCZTQSA-N 358.419 2.993 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N2Cc3ccccc3C2)c1 1565516323 PMPPAKUVLHWYQJ-PMACEKPBSA-N 352.434 2.741 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCN[C@H]2CCN(c3ccccc3)C2)cc1 952970400 RPKBJMYMGYUDNB-SFHVURJKSA-N 373.522 2.532 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(C(=O)O)c2)C1 887557442 NVGDSTIPQRSYQI-AWEZNQCLSA-N 373.478 2.744 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(C(=O)c3ccc4c(c3)CCC=C4)C2)n1 886096473 IWNHNKYAGJPNRL-FQEVSTJZSA-N 353.422 2.547 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nnc(C3CC3)n2C2CC2)C1 886082468 DCGVZOXBEFUFDU-KSZLIROESA-N 359.518 2.564 0 50 FFAA O=S(=O)(c1sccc1F)N1CCOC[C@@H]1c1cc(F)cc(F)c1 888093009 XEXBJZWVVVLROH-CYBMUJFWSA-N 363.382 2.928 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)c1scnc1C1CCCC1 274774585 JJDPLRSFTYQNKE-UHFFFAOYSA-N 372.494 2.962 0 50 FFAA O[C@@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F 170942084 PSJQMQALLPOPKQ-KRWDZBQOSA-N 359.376 2.962 0 50 FFAA CCn1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)cn1 280083930 QKMUXMTWNWUULH-IUODEOHRSA-N 353.344 2.870 0 50 FFAA Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 171462952 KPFGEHIUIJGUOB-WOJBJXKFSA-N 367.497 2.931 0 50 FFAA C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2c(c1)OCO2 172532860 CZDCPMHDZBSJLK-ZDUSSCGKSA-N 356.426 2.799 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)cn1 195317248 AQGFNSLCXYAXAJ-SNVBAGLBSA-N 354.815 2.720 0 50 FFAA CC(C)n1cccc1C(=O)NS(=O)(=O)c1ccc(Br)cc1 764558022 ISARQOGPUDZGKY-UHFFFAOYSA-N 371.256 2.950 0 50 FFAA O=C(c1ccc(Cl)cc1F)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216743761 NPNMDTQKSYVOOU-OCCSQVGLSA-N 350.821 2.952 0 50 FFAA CSc1ncc(C(=O)O)c(N2CCC(c3nc(C(C)C)no3)CC2)n1 1529188740 AYAMWXUMLHVVDH-UHFFFAOYSA-N 363.443 2.787 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)s1 1529125699 XEZJMFXZWRHEPO-MSOLQXFVSA-N 358.463 2.580 0 50 FFAA Cc1nc(C)c(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)s1 1704312970 JWDIYJOKWUHKFL-PKOBYXMFSA-N 360.479 2.640 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2ncc(F)c(N(C)C)n2)n1 1772703001 WJTCSVYYVLCBAD-VIFPVBQESA-N 360.359 2.954 0 50 FFAA O=C(O)COc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 5045080 DYSYCBHUHMPAMY-UHFFFAOYSA-N 356.403 2.994 0 50 FFAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cnn(C)c3)N3CCC[C@@]23C1=O 11879630 ZBBAWJBDQVMGAM-ZJOUEHCJSA-N 350.466 2.667 0 50 FFAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CCc1cn[nH]c1 12057779 JUHRREXLXKNUIO-UHFFFAOYSA-N 372.488 2.895 0 50 FFAA CCN(CC)Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC 12300015 HRBUIPGKPHJZIF-UHFFFAOYSA-N 371.547 2.868 0 50 FFAA Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)nnn1-c1ccccc1 13723482 WRZUHNLAXINIHO-UHFFFAOYSA-N 363.421 2.665 0 50 FFAA CCCN1CCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)CCC1=O 14996998 VNQQVROZBLYNMO-UHFFFAOYSA-N 358.482 2.978 0 50 FFAA CCCCC(=O)N[C@@](Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F 19831442 JEFSNYCLVVWYEK-HNNXBMFYSA-N 361.364 2.930 0 50 FFAA Cc1cc(CN(C)c2ccc(C(=O)NCC[C@@H]3CCCCN3C)cn2)on1 19148888 YFMOXWIADDHKOZ-KRWDZBQOSA-N 371.485 2.619 0 50 FFAA COc1ccc(C2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)nc1 1857529768 ISCNEPGWOMLRAI-OLZOCXBDSA-N 370.453 2.855 0 50 FFAA O=C([C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCC(O)CC1 1857673157 KHHXWWNLVKHVDL-LBPRGKRZSA-N 363.845 2.681 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c2cccc(C)c2n1 1857694943 MCKZNTVEHYOAQS-QGZVFWFLSA-N 368.433 2.805 0 50 FFAA CC1=C(C(N)=O)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1 956675 BOIVTWFOXRKSRX-QGZVFWFLSA-N 353.447 2.544 0 50 FFAA C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 329002016 HCAWJRKALZMTTO-HZSPNIEDSA-N 353.459 2.875 0 50 FFAA C[C@H](NC(=O)c1noc2c1CCCC2)c1ncc(Br)cn1 329129389 VYGRZONFAGWTKU-QMMMGPOBSA-N 351.204 2.597 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@]12CCOC2 329757891 ZQNRQPDDAJNKKO-YFVAEKQCSA-N 358.482 2.632 0 50 FFAA CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1 331063903 WIEFSEIFSMATBR-HOCLYGCPSA-N 353.484 2.610 0 50 FFAA O=C(NCC1(CCO)CCCCC1)c1cccc(CN2CCCC2=O)c1 137264975 UVMLGNNCISETRF-UHFFFAOYSA-N 358.482 2.872 0 50 FFAA CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 252370409 XVDHUAQPQHZAMF-MJGOQNOKSA-N 370.472 2.708 0 50 FFAA C=CC(=O)N1CCC(c2noc([C@H](OC(C)=O)c3ccccc3)n2)CC1 820436951 UJLQNWSHAICNKN-QGZVFWFLSA-N 355.394 2.614 0 50 FFAA COc1ccc2c(c1C)CC[C@@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O 854541 WVAPPHWKUCYWNX-IIBYNOLFSA-N 351.402 2.613 0 50 FFAA COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccncc1 6198949 SDZGXDHZGOJJBG-UHFFFAOYSA-N 371.256 2.640 0 50 FFAA Cc1ccc([C@@]23C[C@@H]2CN(Cc2nc(Br)cnc2N)C3)cc1 2325802610 PXSKDTMGWGLGDL-DYVFJYSZSA-N 359.271 2.903 0 50 FFAA O=C1CC[C@@H](/C=C/CN=c2cc(OC3CCC3)c(Br)c[nH]2)O1 2325806085 SBSSCXKZVZXWTK-ROLFPQFPSA-N 367.243 2.871 0 50 FFAA Cc1cc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1C(C)C 946943 KNHMTAZGLUDWTM-UHFFFAOYSA-N 362.451 2.783 0 50 FFAA COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccco1 1070693 YFGPFRSXHMKZLU-UHFFFAOYSA-N 360.229 2.838 0 50 FFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 1118338 GVAYEKFDSIMNFZ-UHFFFAOYSA-N 368.499 2.591 0 50 FFAA COc1ccc(Cc2nnc(SCC(N)=O)n2Cc2ccccc2)cc1 2866927 YZECKSQOYBORGM-UHFFFAOYSA-N 368.462 2.503 0 50 FFAA C[C@H](NC(=O)CSc1nnc(-c2ccccn2)n1C)c1ccccc1 6732004 JBOZXSGBFINOOC-ZDUSSCGKSA-N 353.451 2.847 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3[nH]nc4c3CCCC4)CC2)oc1C 111154616 XDXGIHFZXJGRRW-UHFFFAOYSA-N 371.485 2.535 0 50 FFAA COC[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCO1 225714492 MDQLCVZPGMZQTN-OLZOCXBDSA-N 353.362 2.586 0 50 FFAA Cc1ccc(OCCc2nnc(NC(=O)CN3CCCCC3)s2)cc1 55227641 IXIQGGLGQWNITD-UHFFFAOYSA-N 360.483 2.892 0 50 FFAA COc1cc(CNC(=O)[C@H]2CCCN2C(=O)C2CCCCC2)ccc1O 55310349 QQRHQPCRKTVAAO-MRXNPFEDSA-N 360.454 2.588 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCC(N3CCCC3=O)CC2)c1 116753075 PLNDTPWETRUMTM-UHFFFAOYSA-N 355.482 2.822 0 50 FFAA COc1ccc(C(=O)N2N=C(c3ccccn3)C[C@@]2(O)C(F)(F)F)cc1 22170784 HCVSUGNUFNEYLP-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n[nH]1 177897384 KVERSLPXQQWRJA-RCMYXZNBSA-N 367.497 2.690 0 50 FFAA COc1ccc(S(=O)(=O)NC(=O)c2csc(C3CC3)n2)c(C)c1C 117539534 JXZGXCMUIWRFLR-UHFFFAOYSA-N 366.464 2.765 0 50 FFAA Cc1cccc2c(C(=O)N(C)[C@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc12 63832816 SUCAIJLBKSIAOD-INIZCTEOSA-N 363.465 2.720 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2c(C)noc2C)[C@H](C)C1 20906241 YSKXNUXHDFQXKN-CQSZACIVSA-N 357.454 2.970 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)on1 67587340 KSLSEAQFOPVAQA-CYBMUJFWSA-N 362.393 2.696 0 50 FFAA Cn1c(-c2nc(-c3cccnc3-n3cccn3)no2)cc2ccccc2c1=O 350037683 GULMXRCZFNLQGH-UHFFFAOYSA-N 370.372 2.836 0 50 FFAA Cc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1C 33088123 VUBQONVGSCCJPZ-OAHLLOKOSA-N 373.420 2.709 0 50 FFAA NC(=O)[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 252515616 MEUHAJOIPRFJQM-YWPYICTPSA-N 372.248 2.921 0 50 FFAA CCN1CCN([C@H]2CCN(C(=O)Nc3cccc(-n4cccc4)c3)C2)CC1 252549101 QURULSBPCDWADC-FQEVSTJZSA-N 367.497 2.721 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)CCN3c4ccccc4CC[C@H]3C)CCO2)no1 329546657 OJSNJMLIZMIZFZ-KDOFPFPSSA-N 370.453 2.509 0 50 FFAA O=C(NCc1cccc(F)c1)N1CCc2nc(-c3cccnc3)[nH]c2C1 215426411 FYMNRGFYXUHADM-UHFFFAOYSA-N 351.385 2.879 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)cc1 218805945 OSEHEOYAAOTDGK-OAQYLSRUSA-N 366.509 2.939 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCCN(Cc2cscn2)CC1 171145924 UXJLJOZLHKKNQZ-UHFFFAOYSA-N 360.439 2.612 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)CCC2CC2)C1 72472968 QHYJEAZTHYHTGE-QGZVFWFLSA-N 359.518 2.697 0 50 FFAA C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]2(C)[C@@]1(O)C(=O)CO 32071087 ZYTXTXAMMDTYDQ-HRTXDMNKSA-N 356.462 2.753 0 50 FFAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H](C)n3cnc4ccccc43)C2)no1 171485785 KGEAXOLFCLGBEW-DZGCQCFKSA-N 353.426 2.770 0 50 FFAA Cc1c(CNC(=O)c2nnn(C3CCNCC3)c2C)oc2ccc(F)cc12 153474800 PHCHOVDFYBAZNT-UHFFFAOYSA-N 371.416 2.635 0 50 FFAA c1cc(C2CCCC2)sc1CN1CCN(CCN2CCOCC2)CC1 215532106 JAFJPSSMTKUVSN-UHFFFAOYSA-N 363.571 2.856 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc(O)nc2)C1 490929618 PCXPBUOCPGHYLF-NSHDSACASA-N 354.332 2.559 0 50 FFAA O=C(NCc1nnc(C2CC2)s1)N1CCCN2c3ccccc3C[C@@H]2C1 333950423 YDWBBDZRNCLDPZ-OAHLLOKOSA-N 369.494 2.762 0 50 FFAA C[C@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 334127676 QRGQGLWPBABFQS-LPHOPBHVSA-N 367.497 2.541 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2ncnn2-c2ccccc2)C1 375623995 JJKODWWWHNYISJ-KRWDZBQOSA-N 353.426 2.663 0 50 FFAA Cc1cc2oc(=O)cc(COC(=O)[C@@H](O)c3cnn(C)c3)c2cc1C(C)C 241409079 NEKWOZSTQIUGAR-IBGZPJMESA-N 370.405 2.735 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@@H](CN2CCCCC2)C1 131173415 UXNNFXYUSGPEAW-HNNXBMFYSA-N 374.451 2.977 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CC1 263277641 NRHNGSRFJGJIIK-UHFFFAOYSA-N 358.394 2.964 0 50 FFAA NC1CC(c2cc(NC3CCN(C(=O)NC4CCCCC4)CC3)ncn2)C1 223917851 PFKYPOHMJMGRDA-UHFFFAOYSA-N 372.517 2.600 0 50 FFAA COCCc1ccnc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 286314909 PTHRMPASBYLSBD-FQEVSTJZSA-N 367.449 2.963 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccccc3)C2)CN1CCc1c[nH]cn1 82121025 FPUXJIHAIIRBJE-OAQYLSRUSA-N 352.482 2.857 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)c1 95389332 RHQNFLHPKXJJOO-LJQANCHMSA-N 356.470 2.770 0 50 FFAA COCC[C@H]1CCCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 95386956 HWTNBAGBXKEAHI-HXUWFJFHSA-N 373.541 2.925 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](NC(C)=O)C3)cn2)c1 96139107 XLORRIYEZYVVPV-OAHLLOKOSA-N 370.409 2.625 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(Cc1cnn(C)c1)CC(C)C)C2 91468666 BARMLGXODMSVEL-QGZVFWFLSA-N 357.454 2.665 0 50 FFAA CSCCCN1C[C@H](C(C)C)[C@@H](NC(=O)c2nn(C)cc2Cl)C1 91706769 XSUASNHXYOZSNK-OCCSQVGLSA-N 358.939 2.513 0 50 FFAA C[C@H](CN(C)C(=O)c1cccc(-c2ccc(F)cn2)c1)N1CCOCC1 426546302 YLSFPYSNSALLID-OAHLLOKOSA-N 357.429 2.680 0 50 FFAA O=C(NC[C@@H]1CNCCOC1)Nc1ccc(-c2nc3ccccc3o2)cc1 96140079 RLJJHQAZHYIZDW-AWEZNQCLSA-N 366.421 2.852 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCCO[C@H](Cn4cccn4)C3)oc2c1 92028171 VWHQLGQTGSBGQN-INIZCTEOSA-N 369.421 2.878 0 50 FFAA O=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1C/C=C/c1ccccc1 91586278 ZIJMNMLFMFCVKI-QPJJXVBHSA-N 350.466 2.938 0 50 FFAA CCNC(=O)CCN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 95372339 ZKBXFUUHVAPFIO-IBGZPJMESA-N 371.525 2.631 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)cs1 95365910 PPXZYIWNYYILNK-UHFFFAOYSA-N 367.478 2.800 0 50 FFAA Cn1ncc2ccc(NC(=O)N3CCCN(Cc4ccncc4)CC3)cc21 96153266 KZIMOHBGSSSLTJ-UHFFFAOYSA-N 364.453 2.708 0 50 FFAA Cc1n[nH]c(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 95387368 QCHNBPNIYUOODU-UHFFFAOYSA-N 358.405 2.696 0 50 FFAA COCc1noc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)n1 95501781 SXIZHPNJRYPDAT-KRWDZBQOSA-N 356.470 2.670 0 50 FFAA Cc1nc2c(c(N3CCC[C@H](CCC(N)=O)C3)n1)Cc1ccccc1OC2 96153292 BXTIPONJJVKBDM-OAHLLOKOSA-N 366.465 2.750 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1Cl 245227597 KPNMDLILISIXJP-MCKLEBTQSA-N 370.836 2.704 0 50 FFAA CC1(C)C[C@@](CCNC(=O)c2cnc(O)cn2)(c2ccccc2)CCO1 244626679 FQMOKRYVGHUZHI-FQEVSTJZSA-N 355.438 2.829 0 50 FFAA O=C(O)c1ccccc1OCCN1CCN(C(=O)CC2CCCCC2)CC1 183920185 MJZIVAZYLYHYRK-UHFFFAOYSA-N 374.481 2.878 0 50 FFAA NCCOc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 183245864 PSNPGFVYAARPCI-OAHLLOKOSA-N 353.422 2.554 0 50 FFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CC(=O)O)C2CCOCC2)c1 299752685 VATKGQRQTIBATM-LBPRGKRZSA-N 355.818 2.508 0 50 FFAA Cc1nn(C(F)F)cc1-c1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1 534664038 UPRLPRTUXADGCI-NSHDSACASA-N 360.368 2.664 0 50 FFAA COc1ncccc1NC(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 65461085 GGBMCTMPZDKWPL-GOSISDBHSA-N 366.465 2.623 0 50 FFAA c1ccc(N2CCN(Cc3cccc(OC4CCNCC4)c3)CC2)nc1 299767126 FKIMSSRGDOKDIM-UHFFFAOYSA-N 352.482 2.535 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)cc1 299797441 OGJXKJABNMJQEZ-JOCHJYFZSA-N 366.461 2.682 0 50 FFAA COc1ccc(C(=O)N(C)Cc2noc3c2CCCC3)cc1OCCCN 299770469 SOVUVMHZHGAEDP-UHFFFAOYSA-N 373.453 2.562 0 50 FFAA Cc1nc(C)c(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)[nH]1 584901443 PFKQVBIFHOPJCP-LJQANCHMSA-N 370.497 2.876 0 50 FFAA O=C(Cc1ccc(NC(=O)c2ccccc2-c2nc[nH]n2)cc1)NC1CC1 952986620 FHBCKSLRBGRUSV-UHFFFAOYSA-N 361.405 2.545 0 50 FFAA C[C@@H](c1nccs1)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 185664089 YBDCGLHFXYRSQM-AWEZNQCLSA-N 373.478 2.823 0 50 FFAA Cc1c(NCc2nnc(C(C)C)n2C)nn2c(C(F)(F)F)nnc2c1C 273269012 BNQCXXBJPOFUQE-UHFFFAOYSA-N 368.367 2.624 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1Cc1nc2ccccc2c(=O)n1C 191626117 TZPQWMYKBXEHCX-HNNXBMFYSA-N 366.440 2.783 0 50 FFAA COc1cccc(OC2CN(C(=O)CCc3ccc(N(C)C)cc3)C2)c1 1506425249 FCKOJQCMFZZMHG-UHFFFAOYSA-N 354.450 2.984 0 50 FFAA O=C1CC[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]2N1CCCCO 215385403 VXFBWHKMPDTTMJ-AEFFLSMTSA-N 350.890 2.925 0 50 FFAA Cc1ccnn1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529151133 FOPLRIHANOEYDE-YLJYHZDGSA-N 364.449 2.504 0 50 FFAA O=C(C1CCNCC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704298887 KXPOWWYAOYWAJT-UHFFFAOYSA-N 353.466 2.558 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC(Cc3ccc(O)nc3)CC2)C2(CCCCC2)O1 1772705884 CMXJWSWWAWPCDQ-KRWDZBQOSA-N 372.465 2.834 0 50 FFAA Cc1cccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)c1 12299632 DSEJFAHYCAPUHN-NRFANRHFSA-N 374.431 2.917 0 50 FFAA O=C1NCCN(CCCc2ccccc2)[C@@H]1CC(=O)N1CCCCCCC1 12301384 TWPLGOKIWNNYKC-HXUWFJFHSA-N 371.525 2.602 0 50 FFAA COc1cc(N2CC[C@@]3(CCCN(Cc4cccc(C)c4)C3=O)C2)ncn1 12751842 VFQILCLMXNPFHG-NRFANRHFSA-N 366.465 2.813 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 13328618 DWLDLRZXLDAVRY-AWEZNQCLSA-N 360.845 2.555 0 50 FFAA Cc1cccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)n1 15679172 AUYCZDNVEUBIPV-UHFFFAOYSA-N 367.361 2.929 0 50 FFAA O=C(Cc1cccnc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225404458 UGVJWQMTFALFDP-BBRMVZONSA-N 350.340 2.977 0 50 FFAA Cc1nc(N[C@H]2CCCN(c3nccnc3O)C2)c2c(C)csc2n1 328622234 IHQVNOVIZUWXDL-LBPRGKRZSA-N 356.455 2.885 0 50 FFAA Cc1cc(S(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)sc1C(=O)O 333239475 WBKQVNHPXMYCBV-ZDEQEGDKSA-N 353.465 2.587 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCO1 238196730 FTHODCZSPUCXTO-YUSALJHKSA-N 358.221 2.799 0 50 FFAA Cc1cnc([C@@]2(NC(=O)c3cc(C(F)(F)F)ccc3F)CCOC2)[nH]1 818672912 ZQXXHMSTBSBHJO-OAHLLOKOSA-N 357.307 2.922 0 50 FFAA Cc1cc(Oc2ccccc2)nc(N2C[C@@H](CO)[C@H](c3cncn3C)C2)n1 1875275921 OYDMSVAJYAASHG-DOTOQJQBSA-N 365.437 2.523 0 50 FFAA CC(C)(CNC(=O)NCC1(C(=O)O)CCCC1)N1CCc2ccccc2C1 1875267232 AFHABHUTUQGSIP-UHFFFAOYSA-N 373.497 2.768 0 50 FFAA CC(C)c1ccc([C@H](NC(=O)N2C[C@]3(CO)C[C@]3(CO)C2)C(C)C)cc1 1875278360 SGADJSTYRCJCQT-NRSPTQNISA-N 360.498 2.893 0 50 FFAA CN[C@@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1 1875390347 YENPALNNBVYNAF-AWEZNQCLSA-N 363.465 2.695 0 50 FFAA C=CC(=O)NC1CCC(N(C)C(=O)[C@@H]2CCOc3c(F)cccc32)CC1 1875386759 YCLUOWDEMBPTGD-ZBCRRDGASA-N 360.429 2.764 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC=C(c2cccnc2)C1 1875314796 TWGWQYNFXBIIAT-KGLIPLIRSA-N 352.438 2.767 0 50 FFAA CC(C)C(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 888102375 RBHTWUFCMHHBFG-DOMZBBRYSA-N 352.456 2.613 0 50 FFAA NC(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 877535 XUDHMGJQPULXQK-UHFFFAOYSA-N 363.446 2.800 0 50 FFAA C[C@H](C(=O)N[C@H]1CC[C@H](C(=O)O)CC1)N1C(=O)c2cccc3cccc1c23 2100545576 XOSGLKLVRBMMOA-BPLDGKMQSA-N 366.417 2.948 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 2325738786 HXNXJPUMVQBLIA-JKSUJKDBSA-N 355.438 2.600 0 50 FFAA CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H](C)c1nn[nH]n1 2325811601 CXMHMBMQOXWOSM-SECBINFHSA-N 354.245 2.780 0 50 FFAA COC(=O)c1cc(N)cc(-c2ccc(Cn3cc(CO)cn3)cc2)c1C 2325844056 XOSSLPFNEZBUJA-UHFFFAOYSA-N 351.406 2.768 0 50 FFAA CC(=O)NCc1ccc(CNC(=O)c2ccc3ccncc3c2)cc1F 2325867138 MCNDHXISHFYLKS-UHFFFAOYSA-N 351.381 2.940 0 50 FFAA CCOc1cc(C(=O)N[C@H]2CCSC2=O)cc(OCC)c1OCC 869733 VZQVTEWWISIBJV-LBPRGKRZSA-N 353.440 2.645 0 50 FFAA CCc1ccccc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccccc1 1173247 JRFIXRZCGOYSIW-UHFFFAOYSA-N 358.463 2.723 0 50 FFAA Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 1452063 HAMUOSFWAUBMMU-UHFFFAOYSA-N 361.467 2.753 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 2865343 SNNQEAKCEAKGQD-HNNXBMFYSA-N 351.406 2.945 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@H]3CCO)cc2)C[C@@H](C)O1 248739807 AJILTCAKKNUJJW-HLIPFELVSA-N 360.498 2.673 0 50 FFAA COc1ccc(-n2nnnc2S[C@H](C)C(=O)NC2CCCCC2)cc1 10861351 SCAGZXQCSVKMRX-GFCCVEGCSA-N 361.471 2.600 0 50 FFAA COC(=O)c1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1C 20363441 SFZKZADIEKZOIO-UHFFFAOYSA-N 368.433 2.866 0 50 FFAA O=C(NCc1cccc(F)c1)c1c(O)c2cccc3c2n(c1=O)CCC3 100613718 CTSWZSXOQBXOAY-UHFFFAOYSA-N 352.365 2.722 0 50 FFAA Cc1cccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)n1 67640901 YAFZDLVCZKLGDS-UHFFFAOYSA-N 354.797 2.906 0 50 FFAA CNC(=O)[C@@H]1C[C@H](NCc2ccccc2)CN1Cc1cccc(Cl)c1 22917047 DLRQIRXBECXSAX-OALUTQOASA-N 357.885 2.819 0 50 FFAA Cn1nc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c2ccccc2c1=O 248063548 VNVWJQNQTXFMMO-OWCLPIDISA-N 353.466 2.951 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)C[C@@H](C)O1 229687816 WDLKKBFNWBKTFB-BFYDXBDKSA-N 370.449 2.507 0 50 FFAA Cc1cnn(CC2CCN(C(=O)c3ccccc3[C@H]3CCNC3)CC2)c1 72152133 HFDCCIIDHFPXCG-SFHVURJKSA-N 352.482 2.821 0 50 FFAA C[C@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)O1 328632183 RRZYTQWRCPYVPI-JSFADZTLSA-N 362.518 2.609 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CC[C@@H]1CCOC1)CC2 328628451 HGWFXFKZBLZCFB-CVEARBPZSA-N 363.527 2.773 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3ncccc3O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72172810 USJQUUNEIGBRDY-IOMROCGXSA-N 363.461 2.798 0 50 FFAA Cc1ccc([C@@H]2CCCCN2C(=O)c2cn(C3CCNCC3)nn2)cc1 237982729 OSTYKAFETJKMCP-IBGZPJMESA-N 353.470 2.878 0 50 FFAA CN1C[C@@H](CC(=O)N2CCCCC2)Oc2ccc(C(=O)N3CCCC3)cc21 77520348 MZULBTSQLJYARA-QGZVFWFLSA-N 371.481 2.522 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 364015539 VTDGCXHHMHSIAA-OAHLLOKOSA-N 351.410 2.717 0 50 FFAA Cn1c([C@H]2CCCN2S(=O)(=O)N2CCCCCC2)nc2ccccc21 77320706 RGMZMCUITZEYTI-QGZVFWFLSA-N 362.499 2.831 0 50 FFAA C[C@@H]1COc2ccccc2CN1C(=O)c1ccc(N2CCNC2=O)cc1 374663191 MDOYTXOMCNRMLK-CQSZACIVSA-N 351.406 2.640 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccccc2N2CCOCC2)C1 219897075 WQLUKIRWPIILCX-JOCHJYFZSA-N 366.461 2.565 0 50 FFAA CC(C)[C@H](C(=O)Nc1nnc(C(C)(C)C)s1)N1C[C@H](C)O[C@H](C)C1 330655364 KRRSFKCOSVMTCP-FRRDWIJNSA-N 354.520 2.908 0 50 FFAA O=C(c1ccc(N2CCC[C@@](CC3CC3)(C(=O)O)C2)nc1)N1CCCC1 219610579 ARWPKHURDUFHNN-FQEVSTJZSA-N 357.454 2.789 0 50 FFAA Cc1nc(CCNC(=O)Cc2ccc(O)c(Cl)c2)nc2c1CCCC2 215291123 UJUNUFPJCOYHAZ-UHFFFAOYSA-N 359.857 2.924 0 50 FFAA CCc1cccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 72437292 NNCGIAGIIKLDIM-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA CCC1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCN(C(=O)c2ccccc2)CC1 378586985 ZKZIMMAKAMEPAA-OALUTQOASA-N 372.509 2.986 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3c(C)nc4ncccn34)C2)c1 77489989 UJMPQQCGKAAGAG-AWEZNQCLSA-N 366.421 2.685 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(CC(C)(C)N3CCOCC3)CC2)OC1=O 72462923 BIUOGQNWOICHCR-QGZVFWFLSA-N 367.534 2.573 0 50 FFAA COCc1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 239359524 AELAYCVXYRLHQU-UHFFFAOYSA-N 371.412 2.962 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@@H](Cn3cc(C4CCCC4)nn3)C2)cn1 48175430 AKWADZIKHLWHER-OAHLLOKOSA-N 354.458 2.587 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)NCc1ccc2nc(O)[nH]c2c1 426689101 FBJWLWGSCPTZJG-UHFFFAOYSA-N 370.413 2.651 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCC(n4cnnc4)CC3)oc2c1OC 426399111 XSPRSUYEUNMKMG-UHFFFAOYSA-N 370.409 2.827 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)NCCc2nc(-c3ccccn3)no2)on1 426372458 ZVYZRSJAGJSCGU-CQSZACIVSA-N 368.397 2.517 0 50 FFAA CCn1cnnc1NC(=O)c1cc(I)cc(C)c1C 285725594 IQBYNFTVQRZMHJ-UHFFFAOYSA-N 370.194 2.772 0 50 FFAA COc1ccccc1C[C@H](C)N(C)C(=O)NCCc1nncn1C(C)C 426477987 JMYYWAWQBHKAEG-HNNXBMFYSA-N 359.474 2.683 0 50 FFAA COc1ccccc1O[C@@H]1CCCN(c2cncc(-n3cccn3)n2)C1 286706052 ZYKCEXSCHARQKI-OAHLLOKOSA-N 351.410 2.719 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c1 426563508 SAVFAUQJXPHNQW-INIZCTEOSA-N 355.438 2.533 0 50 FFAA CN(C)c1ccccc1-c1cccc(C(=O)NC2CCN(CCO)CC2)c1 426690492 ASDWTILZUDOWKL-UHFFFAOYSA-N 367.493 2.606 0 50 FFAA c1ccc(-c2nc3c(c(N4CCC[C@H](C5OCCO5)C4)n2)CCC3)nc1 265363327 XTNUFEAQMQDCMT-AWEZNQCLSA-N 352.438 2.617 0 50 FFAA CCCN1CCCN(C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)CC1 426465243 OAINARYFRDJTAF-UHFFFAOYSA-N 359.449 2.843 0 50 FFAA CN(C)C1(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CCCCC1 513396765 RDLIYVXMINPQMF-ZWKOTPCHSA-N 363.546 2.796 0 50 FFAA CCOc1cccc(C(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)c1 91876824 OXNQHZWNDPPLBK-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)c1coc(CN2CCOCC2)c1 97743570 NEFFLHAKQNVZLW-UHFFFAOYSA-N 354.450 2.921 0 50 FFAA CCN(C)C[C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 177849016 HRGFPKITRKXFCP-HXUWFJFHSA-N 372.557 2.677 0 50 FFAA O=C(O)c1ccc(Cn2cc(-c3cnc(-c4ccccn4)nc3)nn2)s1 95380030 JQRZXCUDJCXHRN-UHFFFAOYSA-N 364.390 2.605 0 50 FFAA O=C(Nc1cccc(O)c1)c1ccc(S(=O)(=O)NCc2ccoc2)cc1 92037817 MAYGHGGIYMIHDB-UHFFFAOYSA-N 372.402 2.716 0 50 FFAA CC(C)N1CCC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)C1 95511556 MOMMOANVAOIUIN-QGZVFWFLSA-N 369.509 2.644 0 50 FFAA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccco2)C1 95522368 LHERMBBXEXYOBS-INIZCTEOSA-N 356.422 2.579 0 50 FFAA CC(C)OC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 91650838 NPNPDHYSUWHJHX-UHFFFAOYSA-N 363.506 2.916 0 50 FFAA COc1ccccc1[C@@H](NC(=O)c1cc(CN(C)C)on1)c1ccco1 1324348950 STYXFMXCCAAVSP-GOSISDBHSA-N 355.394 2.857 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)N1CCC(O)(CN2CCCC2)CC1 534670403 RGLBWWUWDBIPIK-GOSISDBHSA-N 359.514 2.640 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 369381579 MFBUOVPTFFZLHJ-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA O=C(Nc1ccnn1C1CCCCC1)N[C@H]1CCCN(c2cnccn2)C1 299773232 AZYKKUHGWUWPSP-HNNXBMFYSA-N 369.473 2.969 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@H](c2cccnc2)N2CCCC2)C1 299780525 BOOXCWCIMNUKEU-NRFANRHFSA-N 365.477 2.955 0 50 FFAA COc1ccc(C(=O)Nc2ccc(NC(=O)CN(C)C)c(C)c2)c(F)c1 824630563 GZSDDBAUJYTNHM-UHFFFAOYSA-N 359.401 2.895 0 50 FFAA Cc1nc(-c2cccc(C(=O)NCCc3ccc(N(C)C)cc3)c2)n(C)n1 584888702 RFIOPNUAZTZULI-UHFFFAOYSA-N 363.465 2.829 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)N1CCC[C@H](Cn2ccnc2)C1 584888160 FGAJYDVRNJDLSH-OAHLLOKOSA-N 373.526 2.883 0 50 FFAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cc2ccccc2o1 670439928 SIMMCZIDKPUBOS-KRWDZBQOSA-N 351.406 2.631 0 50 FFAA COc1ccc(/C=C/CN(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cc1 952979842 PCKSPCAEXYIPFR-PHXNAMCJSA-N 351.450 2.884 0 50 FFAA CC[C@H](C)C(=O)Nc1cccc(NC(=O)CN2CCN(CC)CC2)c1C 952975911 PLWXXTFSFUSIHL-HNNXBMFYSA-N 360.502 2.556 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3sccc3C)C[C@@H]2NC(C)=O)cc1 1565515619 NEKUZSVNNKRORN-SJORKVTESA-N 358.463 2.809 0 50 FFAA Cc1ccc(C(C)C)c(OCC(=O)N(CCC(=O)O)C2CCOCC2)c1 408513283 LMLUOQKSZAPUQR-UHFFFAOYSA-N 363.454 2.980 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1OCCc2ccccc21 268951230 QKKHGQNSRYDBHG-RBUKOAKNSA-N 351.402 2.729 0 50 FFAA O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1cnn(Cc2ccccc2)c1 271479282 ABYRHHMGKOYZBQ-QGZVFWFLSA-N 356.426 2.739 0 50 FFAA O=C1[C@@H](N2CCc3[nH]ncc3C2)CCN1c1ccc(Cl)cc1Cl 276463776 XDSYBNLGECZQCJ-HNNXBMFYSA-N 351.237 2.880 0 50 FFAA Cc1ccc2nc(SCC(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)cc(C)c2c1 1616116138 BAZZAIJVLURKJU-HOCLYGCPSA-N 369.490 2.880 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C(C)C)CC2)OCC(=O)N1C 1529161400 HRWUBEZTYNIFDN-UXHICEINSA-N 358.482 2.788 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2sc(C)nc2C)C[C@@H]1C(=O)O 213331828 GOJBPVVOEKYSMZ-KGLIPLIRSA-N 360.435 2.709 0 50 FFAA COc1ccccc1-c1nc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)c(C)o1 1772708881 KSECUKLAXNKTQN-VLIAUNLRSA-N 372.421 2.582 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772706435 ZLAXTHQYLIZMBT-NZQKXSOJSA-N 362.473 2.916 0 50 FFAA CCN(CC)CC(=O)N[C@H]1c2ccccc2CS(=O)(=O)c2ccccc21 5591566 FSQJFCZVACUULT-FQEVSTJZSA-N 372.490 2.521 0 50 FFAA Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)n1 11665096 SWXIBQJRDZUMPQ-NRFANRHFSA-N 372.432 2.637 0 50 FFAA CC(C)(C)NC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12302643 WISCZMXBDBZBKL-SFHVURJKSA-N 358.530 2.673 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2Cl)nn1 12373740 BRUPUJLQMDZLMB-UHFFFAOYSA-N 370.796 2.639 0 50 FFAA O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCCC[C@H]1CCO 12481417 BSBSTDCSTNDVRN-SFHVURJKSA-N 371.481 2.941 0 50 FFAA COc1cc(C(=O)NCCCN2CCC(C)CC2)cc(OC)c1OC 13632411 JWCOTVJQCKBGBW-UHFFFAOYSA-N 350.459 2.564 0 50 FFAA COc1ccccc1NC(=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1 17945570 OCMMRCINZWRSPM-UHFFFAOYSA-N 365.389 2.569 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@]3(CN(CC=C(C)C)CC[C@H]3O)C2)cc1 1857690264 YYKDNBRJOJUYBY-IFMALSPDSA-N 372.509 2.950 0 50 FFAA CCc1csc(-n2cc(C(=O)N3CCN(C)CC34CCCCC4)cn2)n1 328909402 MSPHSDUHRUCAPC-UHFFFAOYSA-N 373.526 2.982 0 50 FFAA CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC2(CCN(C)C2=O)CC1 462328402 TZHUANWJYZIWAF-UHFFFAOYSA-N 374.872 2.635 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccccc3CN(C)C)CCO2)c1 365855910 LWWKPNFOLXCTRM-HXUWFJFHSA-N 354.450 2.971 0 50 FFAA C[C@@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1C(=O)O 263016210 DCPIPYGQTCXXSY-ABAIWWIYSA-N 359.451 2.594 0 50 FFAA CN1CCC[C@]2(CO)CCN(c3ncnc4sc5c(c34)CCCC5)C[C@@H]12 1704325648 KWHMRLSBLXDACJ-OXQOHEQNSA-N 372.538 2.853 0 50 FFAA CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@H]1CCCc2nn(C)cc21 831425358 DGIDASJNWGNZQT-AWEZNQCLSA-N 362.380 2.664 0 50 FFAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC[C@@]2(c3cccnc3)C[C@@H]2C1 1875329345 RLXVEKSVGKUFHC-MJOWXHMXSA-N 361.445 2.749 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 1875366223 QQBHTRWWJSFTRW-UHFFFAOYSA-N 373.453 2.957 0 50 FFAA Cc1cc(=N[C@@H]2CCC[C@H](NC(=O)[C@H]3CC34CC4)C2)[nH]c(CC2CC2)n1 1875405489 HGMWVXQDQVKSPU-IXDOHACOSA-N 354.498 2.799 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ccoc1 1875402605 IPIGLZJVUIKJJT-BMGDILEWSA-N 351.406 2.713 0 50 FFAA C[C@H]1CN(C(=O)Nc2ccc(Cl)c3ccoc23)CCN1S(C)(=O)=O 2325725863 PZBHXJDYNRACGK-JTQLQIEISA-N 371.846 2.584 0 50 FFAA O=C(Cc1cccc(N2CCOCC2)c1)Nc1cnoc1C1CCOCC1 2325796920 CMOIVDRWNLPIKZ-UHFFFAOYSA-N 371.437 2.586 0 50 FFAA COCCc1nc(-c2cnn3c2CCC[C@@H]3C)n([C@@H]2CCOC2(C)C)n1 2325849242 JJGUZKKCUSRLFN-XJKSGUPXSA-N 359.474 2.968 0 50 FFAA O=C(N[C@@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(F)cc2)s1 2325857018 MFHSZRCZDNZJTR-CYBMUJFWSA-N 372.425 2.778 0 50 FFAA O=C(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1nc(O)nc(O)c1F 2325865554 HERYRNVKANPORU-BIIVOSGPSA-N 350.375 2.639 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 2325884129 HXLSHGZEILKCBJ-UHFFFAOYSA-N 352.438 2.852 0 50 FFAA COCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1891401 ZWQCZPJPBFSYCI-UHFFFAOYSA-N 367.357 2.849 0 50 FFAA biogenic N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)Cc2c(F)cccc2Cl)C1 2356146518 JPULKOIIWQQCKB-IBGZPJMESA-N 374.847 2.731 0 50 FFAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 2868934 ZYDJNRLIJSBGMO-UHFFFAOYSA-N 362.451 2.563 0 50 FFAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1 2873707 FCHLCYOBKCUZQN-UHFFFAOYSA-N 362.451 2.699 0 50 FFAA O=C(NCCOc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2995261 YLDOPLFFHXYAKU-AWEZNQCLSA-N 358.825 2.888 0 50 FFAA Cn1[nH]c(-c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)nc1=O 2356165116 UDSFNUTWBHRWRK-UHFFFAOYSA-N 360.417 2.705 0 50 FFAA CSc1ccc2c(C)cc(-n3ncnc3C[C@H]3CCC(=O)N3)nc2c1 2356168068 OEKJQWFWDRKIII-GFCCVEGCSA-N 353.451 2.667 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cc(Cl)cc(Cl)c1 4702828 OEGVZAKOXURUOV-MJBXVCDLSA-N 356.253 2.721 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccncc2)C[C@H]1CCO 106731989 RVDPHGVKEIBUKK-HXUWFJFHSA-N 355.482 2.549 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCCc1nc(-c2ccccc2C)no1 55325027 APGSNBLJFNMAFN-INIZCTEOSA-N 356.470 2.968 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CC=C(c2ccccc2)CC1 67674451 LPUUMOQQGDWPPC-UHFFFAOYSA-N 367.449 2.561 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)c1c[nH]c(=O)c(Cl)c1 55452228 DXNYELKPMXEZJE-UHFFFAOYSA-N 364.804 2.646 0 50 FFAA CCn1c(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 65929339 UVMILLVPJJWWQI-HNNXBMFYSA-N 368.481 2.506 0 50 FFAA COCCN(C(=O)c1cccc(CCC(C)(C)O)c1)C1CCN(C)CC1 72433140 YGKJHGSXUAGECV-UHFFFAOYSA-N 362.514 2.573 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 124305634 ASEQMRUWVBGTBY-MAPUTHEBSA-N 366.527 2.688 0 50 FFAA O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCc2cn[nH]c2C1 252523269 CFLUWGMZVXJJLW-SFHVURJKSA-N 360.417 2.689 0 50 FFAA CN1C[C@@]2(CCN(Cc3cnc(SCc4ccccc4)nc3)C2)OC1=O 215214785 NKZDOAGMNJAFAE-LJQANCHMSA-N 370.478 2.795 0 50 FFAA Fc1ccccc1[C@@H](CNc1ncnc2c1CCNCC2)N1CCCC1 72469454 CILKAICKQTXQEM-LJQANCHMSA-N 355.461 2.553 0 50 FFAA Cn1nnnc1CN1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 433289767 QONGQTBCYRYDBQ-CYBMUJFWSA-N 355.364 2.581 0 50 FFAA O=C(NCC1(Cc2ccccc2)CCC1)c1sccc1-n1cnnn1 152745511 PBAIEXPPQDRTAV-UHFFFAOYSA-N 353.451 2.867 0 50 FFAA O=C(c1cocn1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72149234 OEHMVDDHXGRMTJ-KBAYOESNSA-N 359.376 2.655 0 50 FFAA CN(CC[C@H](O)c1ccccc1)c1nc(C2CC2)nc2c1CCNCC2 72447543 MFLGKRMYLOINMK-IBGZPJMESA-N 352.482 2.602 0 50 FFAA CCCOc1ccc(C(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1OCC 363545563 LIDUOYZQWNZVPQ-OAHLLOKOSA-N 358.442 2.519 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1cnn(C[C@H]3CCCO3)c1)C2 363692646 WMXAFNUAAOTPGW-MRXNPFEDSA-N 356.426 2.661 0 50 FFAA CCn1cc(S(=O)(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c(C)n1 72167450 RJMQKAGTVLCWKN-MRXNPFEDSA-N 368.547 2.677 0 50 FFAA CC[C@@H]1CN(C(=O)COc2cccnc2)CCC(=O)N1Cc1ccccc1 71754320 GBJZTSFEORDLGI-GOSISDBHSA-N 367.449 2.500 0 50 FFAA c1coc(-c2nc3c(c(N[C@H]4COC5(CCCC5)C4)n2)CCNCC3)c1 72431063 BMISPLXQPCFSFF-CQSZACIVSA-N 354.454 2.938 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3ccc(CO)cc3)C2)c1 77540636 FQQWJSCEBMGTEK-QGZVFWFLSA-N 355.434 2.755 0 50 FFAA COCc1noc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 280228074 AVYITSZBMQSVSH-ZWNOBZJWSA-N 357.332 2.543 0 50 FFAA O=C(CCc1cn2ccccc2n1)N1CCC(OCc2cccnc2)CC1 82099333 JZRCRTWFSXZVAU-UHFFFAOYSA-N 364.449 2.870 0 50 FFAA CC(C)[C@@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)c1ncon1 263580558 WCAVSHYAGGNNFW-LLVKDONJSA-N 368.187 2.657 0 50 FFAA CN1C(=O)CC[C@@H](NCc2cc(F)cc(Cl)c2)[C@@H]1c1ccnn1C 284571783 OYSMSORZSPNAEH-RHSMWYFYSA-N 350.825 2.664 0 50 FFAA CC(=O)N1CC2(CCN(c3nccc4ccccc34)CC2)C[C@H]1C(=O)O 82115787 AQOOSOYOAPGSFN-KRWDZBQOSA-N 353.422 2.527 0 50 FFAA CCc1noc(CNC(=O)N2CCC[C@H](COc3cccc(F)c3)C2)n1 426486062 HPWVECXLCUIGNV-ZDUSSCGKSA-N 362.405 2.772 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286180437 JENALWMFDCJRHB-UONOGXRCSA-N 358.398 2.698 0 50 FFAA Cc1csc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 45912129 SDQPNDSMQQMXFS-LBPRGKRZSA-N 363.870 2.817 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2)C1 426727053 ZCNXZGCYHGMKIF-JOCHJYFZSA-N 371.525 2.661 0 50 FFAA OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1 20996764 OFXXBNQORFRNFR-INIZCTEOSA-N 366.889 2.880 0 50 FFAA Cc1csc([C@@H]2COCCN2Cc2cn(-c3ccccc3C)nn2)n1 289888810 WYZKGOQRQRFZPG-KRWDZBQOSA-N 355.467 2.914 0 50 FFAA O=C1OCc2ccc(NC(=O)N3CCC[C@H](OCc4cccnc4)C3)cc21 96162744 NMVPOUVQXNEGIY-KRWDZBQOSA-N 367.405 2.965 0 50 FFAA O=C(O)c1ccc(N2CCCCC2)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 239415393 UIXOIIZNZCFWQM-RPLLJCPNSA-N 366.417 2.687 0 50 FFAA CCOc1cc(F)cc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c1 95386920 MPKMOVUJYAMYGV-IBGZPJMESA-N 373.428 2.563 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC([C@@H](C)N(C)C)CC1 95364264 KCIIMKQODYHASS-OAHLLOKOSA-N 353.470 2.649 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1cc(F)ccc1C)CC2 92045542 JDMXKGSMONSUPB-UHFFFAOYSA-N 362.445 2.625 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)s1 95378826 JJWMRVACLFMXCF-HNNXBMFYSA-N 361.515 2.538 0 50 FFAA CCSc1ncc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cn1 91808796 XVOJPDGDQOVTFM-CRAIPNDOSA-N 362.543 2.664 0 50 FFAA CC(C)c1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)nc(N)n1 244673823 HWHWFRAZHVSBFB-UHFFFAOYSA-N 367.497 2.792 0 50 FFAA CCN(C(=O)c1csc(Nc2cc(F)cc(F)c2)n1)[C@@H]1CCNC1=O 296447545 WWUUEZGUZNIHRG-CYBMUJFWSA-N 366.393 2.516 0 50 FFAA COCc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccc(Cl)s3)C2)n1 253535278 OAEDNEFPRGJMOG-KYZUINATSA-N 353.831 2.720 0 50 FFAA O=C(c1ccco1)N1CCN(C(=O)c2scnc2C2CCCC2)CC1 183660027 SCOSYFQMXHSREB-UHFFFAOYSA-N 359.451 2.992 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)NCCc2nc3ccc(F)cc3[nH]2)n1 534592842 QGZBGYQTIJZPDB-UHFFFAOYSA-N 374.420 2.668 0 50 FFAA C[C@H](CCNC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)N(C)C 534588403 UFYLKNDXIKKNSF-CQSZACIVSA-N 353.894 2.673 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 65454293 RTQISVGPRXEAJH-SFHVURJKSA-N 352.434 2.821 0 50 FFAA O=C(Nc1ccncn1)c1ccccc1S(=O)(=O)Cc1ccccc1 1940195242 QLTKAKAHIVAGFX-UHFFFAOYSA-N 353.403 2.703 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)ccc1Cl 1940197402 NXVMAULZYYMDHK-CRAIPNDOSA-N 351.830 2.726 0 50 FFAA O=C(O)[C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)C1CCCCC1 299781111 VKNMGPUCGJVZJI-LJQANCHMSA-N 372.465 2.706 0 50 FFAA CCn1c(C)cc(C)c(C(=O)Nc2ccccc2CN2CCOCC2)c1=O 823580557 UMKREPURHHDLOX-UHFFFAOYSA-N 369.465 2.570 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)N(C)Cc2nnc(-c3ccccc3)o2)n1 584898939 FOEWKRUQHABYNV-OAHLLOKOSA-N 368.441 2.953 0 50 FFAA CCc1nnc(CNC(=O)c2cccc(-c3sc(NC)nc3C)c2)s1 584894995 CQGOIEXLVCSMAD-UHFFFAOYSA-N 373.507 3.504 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1F 952981821 NZIKJBADEAMJHW-SFHVURJKSA-N 372.425 2.589 0 50 FFAA O=C(/C=C/c1nc2ccccc2s1)NC[C@@H](O)CN1CCCCCC1 952970679 LPBFYRHZXFBTSW-BOLDSZDNSA-N 359.495 2.663 0 50 FFAA Clc1ccc2nc(CN3CCN(c4nnc(C5CC5)o4)CC3)cn2c1 278504619 XPWPSNRVWYWYIQ-UHFFFAOYSA-N 358.833 2.570 0 50 FFAA O=C(C[C@@H]1OCCc2ccccc21)NC1CCC(Oc2cnccn2)CC1 188271545 XOMFUXYOYFFLAK-TVPLGVNVSA-N 367.449 2.987 0 50 FFAA COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCCc2cccnc21 193878679 GMAIOAZPJDRAKI-OAHLLOKOSA-N 356.422 2.844 0 50 FFAA NC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 194942391 OVJKTGNXGDMVQS-MRXNPFEDSA-N 355.413 2.775 0 50 FFAA Cc1cc(C[C@H]2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@@H]2O)on1 1616085094 YEBMHFSUDQKSSZ-LRDDRELGSA-N 369.248 2.894 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc4ccc(Cl)cc4nc3O)C[C@H]2O)n[nH]1 1529167989 SVGHASKSRITQMU-FZKQIMNGSA-N 372.856 2.661 0 50 FFAA O=C(NC[C@@H]1CCCO1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 824952 SRHPCYJVKVELMI-AMRJIULGSA-N 368.408 2.892 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(N2CCCC2)CCCCC1 1704353140 SBYDDKCLJIVIKE-RTBURBONSA-N 357.498 2.554 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC[C@@H](C)OC)cc1 1704309583 XRASLBQISMOPPZ-CYBMUJFWSA-N 359.426 2.715 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1704330960 INQOPTZIABLHAM-IBGZPJMESA-N 351.450 2.728 0 50 FFAA Cc1nc(-c2nccn2-c2ccc3c(c2)nc([C@@H](C)O)n3C)n(C)c1C 1775981354 QZISUXVKAJCKCC-CYBMUJFWSA-N 350.426 2.830 0 50 FFAA CCN1CCC[C@@H]1CN1CCCN(C(=O)c2ccc3ncccc3c2)CC1 1772813844 WMGIDACTCLTLMB-HXUWFJFHSA-N 366.509 2.867 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCC(C3(O)CC3)CC2)c(C)c1C 1772813137 XCSKVOLMPCCOSB-UHFFFAOYSA-N 353.484 2.546 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 11782410 ADYXZUSATSCJTG-UZLBHIALSA-N 362.470 2.669 0 50 FFAA O=C(NCCC1=CCCCC1)[C@H]1CC12CCN(C(=O)c1cn[nH]c1)CC2 11966438 CHYPNYCHVVGNJZ-QGZVFWFLSA-N 356.470 2.659 0 50 FFAA C[C@@H](Cc1cnccn1)NC(=O)c1coc(COc2ccc(F)cc2)n1 12091948 FEELNHOFPNVYOV-LBPRGKRZSA-N 356.357 2.544 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 13041547 VNCXBVWPMHNVBC-HDICACEKSA-N 356.447 2.916 0 50 FFAA CCOC(=O)N1CCC(N2CCO[C@H](Cc3ccc(F)cc3)C2)CC1 15069439 KICRCDGDRWPYPH-GOSISDBHSA-N 350.434 2.690 0 50 FFAA CCc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760160 UEMPIXGKLUMVSJ-UHFFFAOYSA-N 364.449 2.966 0 50 FFAA CC(=O)NC1CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccc(Cl)cc23)CC1 1857530182 DTABMNWOJILTGT-QFBILLFUSA-N 362.857 2.507 0 50 FFAA CCc1nccn1CCC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857671124 NRPKTCPYFADPDE-UHFFFAOYSA-N 363.465 2.853 0 50 FFAA O=C(COCc1ccccc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857714765 KVNZOZCGJDSJDV-QHAWAJNXSA-N 366.461 2.534 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(Cc3cc[nH]c(=N)c3)C1)CC2 1857730621 SRELDYVVQOYZNZ-NRFANRHFSA-N 367.497 2.767 0 50 FFAA O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2 4195740 GPOJSKQHJASXNG-JISUQADQSA-N 368.433 2.606 0 50 FFAA CCn1nc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1C1CC1 908319467 SYNNGBHWFOPTOE-KRWDZBQOSA-N 354.454 2.599 0 50 FFAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccn2nncc2c1 1875295491 ZRSKVRBQHAZRSQ-CYBMUJFWSA-N 365.393 2.519 0 50 FFAA CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC([C@@H]3CCCN3)CC2)cc1 1875257991 LHKBOLZYYLIXOX-SFHVURJKSA-N 357.498 2.819 0 50 FFAA COC1(C(=O)N2CCc3ccccc3[C@@H](NC(=O)CC3(C)CC3)C2)CC1 1875407806 HZMSKYVSCNVQGJ-KRWDZBQOSA-N 356.466 2.598 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCc2cn(C)c3ccccc23)C1 888077821 XDCPCPWIBYCRQJ-CRAIPNDOSA-N 352.438 2.823 0 50 FFAA COCc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)c1 888103108 HAADTKLFCPAQFK-MSOLQXFVSA-N 357.454 2.704 0 50 FFAA CC(C)N(C(=O)c1ccccc1-c1nc(N2CCOCC2)n[nH]1)C(C)C 2100483821 OTOYYURNHVLJBR-UHFFFAOYSA-N 357.458 2.567 0 50 FFAA C[C@H](c1ccccc1)[C@@H]1NC(=O)[C@@H](Cc2ccc(C(F)F)cc2)NC1=O 2325787677 PJDKRKYMYFHRIS-JLZZUVOBSA-N 358.388 2.954 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(c3nc(C)nc(O)c3C)CC2)cc1 2325802209 PZJJWZGHVSLHJL-UHFFFAOYSA-N 354.454 2.640 0 50 FFAA O=C(Nc1cnn(C2CCNCC2)c1)c1cc2ccc(Cl)cc2c(O)n1 2325857258 VJFMQAFGMQVSOA-UHFFFAOYSA-N 371.828 2.967 0 50 FFAA Cc1cccc(CN(C)CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 2325866990 HDXMXKZRLLPLAI-SFHVURJKSA-N 351.450 2.669 0 50 FFAA CC[C@H](C)CC(=O)NC[C@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867166 NDLTVQWPQPTIOA-DUQJVZAFSA-N 351.535 2.554 0 50 FFAA O=C(NCc1cc2ccc(F)cc2nc1O)N1CC(O)(c2ccsc2)C1 2325878319 KYEKZWXTLSFEHF-UHFFFAOYSA-N 373.409 2.554 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2ncccc2C)cc(OC)c1OC 881665 PUQAALNBVAOSFO-UHFFFAOYSA-N 361.423 2.543 0 50 FFAA COc1cc(CN2CCC(C(=O)N3CCCC3)CC2)cc(OC)c1OC 1179490 NWJJGQCJVILTMO-UHFFFAOYSA-N 362.470 2.547 0 50 FFAA COc1ccc(CN2CCC[C@@]23CCCN(CCO)C3=O)c2ccccc12 2356137920 AQUQIFHQASLGEZ-JOCHJYFZSA-N 368.477 2.798 0 50 FFAA CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1 4258637 ZNPUJTXPEZRZAK-UHFFFAOYSA-N 353.371 2.504 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2OC)c1 6697561 JKXPXEAZEOQRRO-UHFFFAOYSA-N 370.405 2.571 0 50 FFAA CCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 7347408 SSRHZIOIWSFZRI-UHFFFAOYSA-N 362.430 2.731 0 50 FFAA CCN(C(C)C)S(=O)(=O)c1cc2c(cc1Br)OCCO2 225534690 PFLLZGBGHOSCIO-UHFFFAOYSA-N 364.261 2.639 0 50 FFAA COc1cccc(OC)c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 20201372 IIHUEOOJGLLJDR-KRWDZBQOSA-N 350.503 2.619 0 50 FFAA CC[C@@H]1CN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)CCN1 67895319 WSNDEEWSTVHOHY-GFCCVEGCSA-N 367.808 2.870 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCc1ccc(CO)cc1 67726293 PAMWDDHHIMIGLD-QFIPXVFZSA-N 374.525 2.592 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 328646947 SXQZOMMEWLVIEH-WBVHZDCISA-N 354.516 2.538 0 50 FFAA COc1c(F)cc(CN2CCC(N3CCC[C@@H](O)C3)CC2)cc1Cl 72438617 FEQGIALCWLSXBX-OAHLLOKOSA-N 356.869 2.909 0 50 FFAA O=C(NC[C@H]1CN(c2ccccc2)CCO1)c1cccc(-n2cccn2)c1 77555985 HRETVCNPOBAZCY-FQEVSTJZSA-N 362.433 2.508 0 50 FFAA CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1 151178452 ZCRRQRHPNFTFOK-OAHLLOKOSA-N 366.421 2.531 0 50 FFAA CN1CCC(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)CC1 215609314 OIJTWEXZFURDMD-UHFFFAOYSA-N 357.420 2.797 0 50 FFAA O=C(c1cc(-c2cccnc2)on1)N1CC[C@@](O)(c2ccc(F)cc2)C1 360759049 LYQNCCQWGHFXDI-IBGZPJMESA-N 353.353 2.609 0 50 FFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2OC)on1 33270445 FFCTWNNDYSXFDY-AWEZNQCLSA-N 366.439 2.780 0 50 FFAA COc1cc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1OCC(F)(F)F 153680709 JGOMSCQKYJMLPO-STQMWFEESA-N 374.403 2.778 0 50 FFAA Cn1cc(C[C@H]2CCN(C(=O)NCC3(c4cccc(F)c4)CC3)C2)cn1 363322126 AAHZXZITCATZBM-OAHLLOKOSA-N 356.445 2.865 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 374414037 FWOCYGIWUBCAFI-IAGOWNOFSA-N 373.412 2.677 0 50 FFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(C2CCCC2)C(=O)C1 223628236 CSBBNBWVCDGCJZ-LBPRGKRZSA-N 368.836 2.860 0 50 FFAA CCn1cnc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 48121656 VXMRJUMLSMVISL-CQSZACIVSA-N 367.413 2.760 0 50 FFAA O=C([C@H]1CCCN1C(=O)c1ccccc1)N1CCOC2(CCCCC2)C1 174452572 YGGUMPDEZIXFFK-GOSISDBHSA-N 356.466 2.853 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(c2ccccc2)CC1 426361147 JFCJWOCRJKNERF-IBGZPJMESA-N 352.482 2.756 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@@H]1Cn1cccn1 426531883 XZSSAYBRKGXCOP-LJQANCHMSA-N 368.481 2.806 0 50 FFAA OCC1(CN2CCCC2)CCN(Cc2cccc(Cn3cccn3)c2)CC1 223661764 ACLKZKJVVQITTR-UHFFFAOYSA-N 368.525 2.602 0 50 FFAA O=C(Cc1ccc(F)cc1F)N1CCN(C2Cc3ccccc3C2)CC1 220749181 HDVVBUOJMNXQTB-UHFFFAOYSA-N 356.416 2.819 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2cnc(Nc3ccccc3)nc2)CC1 97601131 ZFZLUYUTJOJQAE-UHFFFAOYSA-N 362.437 2.935 0 50 FFAA O=C(c1c[nH]nc1-c1ccccc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91595877 OOSFTWCNNCENBT-DOTOQJQBSA-N 374.448 2.608 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cnc3sccn3c2=O)no1 426578712 OGFFTOUDTBFRMC-CYBMUJFWSA-N 358.423 2.845 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4ccoc4)C3)CCC2=O)cn1 91707197 GUWOHQICMPTPDB-HXUWFJFHSA-N 354.454 2.783 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95365423 KMVBJZRNYZLXFY-FUHWJXTLSA-N 374.529 2.742 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)nc(C)n1 91894596 FCHKTJMPWTVUEZ-NRFANRHFSA-N 370.497 2.881 0 50 FFAA CCOc1ccc2ccccc2c1[C@H](C(=O)O)N1CCN(CCOC)CC1 95376454 IFKUVVVLIKFMOR-HXUWFJFHSA-N 372.465 2.628 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cccc(-n2cnnc2)c1 91616991 RVWLSRROKOSMEW-UHFFFAOYSA-N 350.426 2.532 0 50 FFAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1cccnc1=O 97446893 FVLOMWLQVWZJDQ-LJQANCHMSA-N 350.422 2.507 0 50 FFAA CC(C)(C)NC(=O)COc1ccc(CN2CC[C@](C)(O)C(C)(C)C2)cc1 91603720 KVCOJFOSIGWIFO-NRFANRHFSA-N 362.514 2.963 0 50 FFAA Cc1cc(NC(=O)CN2CCC[C@H](c3nc(-c4ccccc4)no3)C2)no1 244601800 DRZSWQREBFALQW-HNNXBMFYSA-N 367.409 2.851 0 50 FFAA Cc1ccc(C)c(OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 240825202 QOAXYXAHLCLESO-WWTWNBORSA-N 365.429 2.650 0 50 FFAA Cc1ccc(-c2csc(NC(=O)c3cn(CC4(C)COC4)nn3)n2)cc1 183708077 XJDWVZUNAUMYGG-UHFFFAOYSA-N 369.450 2.999 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 299747487 DDWJTYIOFWIFJL-INIZCTEOSA-N 363.316 2.683 0 50 FFAA CCN1CCC(CNC(=O)N2CCC[C@H](c3ccccc3)C2)(N(C)C)CC1 534644134 SULDLYIPARRAEF-FQEVSTJZSA-N 372.557 2.992 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)Nc1ccc3c(c1)N(C)C(=O)CO3)C2 534658744 YACJWTAUNPWWAE-UHFFFAOYSA-N 367.405 2.641 0 50 FFAA O=C(Nc1ccc(F)nc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 299766881 GPIXURPEOMVGAE-SFHVURJKSA-N 354.429 2.928 0 50 FFAA O=C(Cn1ccc2ccc(F)cc21)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 67640905 MHFMQZJHQPJFDZ-ZBFHGGJFSA-N 365.408 2.588 0 50 FFAA biogenic Cc1nnc(SCC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)s1 299755621 GFYUDSMCCJLJNW-HNNXBMFYSA-N 362.524 2.577 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCCc1nc3ccccc3n1C)C(=O)CCC2 299755445 DAYDVTCYOZUTDU-UHFFFAOYSA-N 350.422 2.701 0 50 FFAA COc1ccc2cc(C(=O)NCc3cccnc3)sc(=O)c2c1OC 824519556 ZWUPRZDAUJDKKX-UHFFFAOYSA-N 356.403 2.604 0 50 FFAA CC1(C)CC(CC(=O)NCc2nc(O)c3ccccc3n2)CC(C)(C)N1 827801780 HFQUMWKXYJCTNP-UHFFFAOYSA-N 356.470 2.899 0 50 FFAA CCc1ncc(S(=O)(=O)N(C)CC2(N3CCCCC3)CCCCC2)[nH]1 952972446 FMXXGOVSVXZTFH-UHFFFAOYSA-N 368.547 2.781 0 50 FFAA C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)C1 278426033 CGYOGYNJIBXGDZ-CYBMUJFWSA-N 363.421 2.822 0 50 FFAA CO[C@](C)(C(=O)N1CCO[C@@H](c2nccs2)C1)c1ccccc1F 192093344 FJDDJGSLECIOKG-PBHICJAKSA-N 350.415 2.744 0 50 FFAA CCCCC[C@](C)(CC)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 780733990 DRTLWDGOMUWRKA-IBGZPJMESA-N 364.490 2.677 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)NCc2cc(COc3ccccc3)cs2)C1 1506419529 RSZJKXYUHBWKRZ-HNNXBMFYSA-N 373.478 2.734 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccccc3OC(F)F)CCN12 1529126078 WIOZYVJSXFPFSZ-UONOGXRCSA-N 354.397 2.613 0 50 FFAA CCOc1ccccc1-c1nnc(NC(=O)CCN2CCCCCC2=O)o1 1529191455 YYUIGIZAILEORL-UHFFFAOYSA-N 372.425 2.867 0 50 FFAA CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1Cl 1704353861 UMNMMKOXXIRIIW-RHSMWYFYSA-N 360.841 2.809 0 50 FFAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1 5388083 KWOGVZKQKIUVIY-UHFFFAOYSA-N 353.403 2.813 0 50 FFAA COCC[C@H]1CCCCN1C(=O)c1cn(CCCc2ccccc2)nn1 11872997 QFDRQRXNNZVYRM-GOSISDBHSA-N 356.470 2.942 0 50 FFAA CCc1ccc(-c2cn3c(C(=O)N[C@H](C(N)=O)C(C)C)csc3n2)cc1 11936155 WHAUHYVFDXCRQO-INIZCTEOSA-N 370.478 2.865 0 50 FFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2nccs2)cc1 11973280 SIZRJLPSVMTVFD-INIZCTEOSA-N 373.478 2.601 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)c2cc(CN(C)Cc3ccccc3)on2)n1 12306370 RPRZIDVCVAQGKA-UHFFFAOYSA-N 353.426 2.610 0 50 FFAA O=C1CC[C@](CCC(=O)N2CCOc3ccccc3C2)(Cc2ccco2)N1 15005699 UMCDRBUNJHQCJM-NRFANRHFSA-N 368.433 2.672 0 50 FFAA COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCC(N)=O 19871796 SEZCLDNYSGVVME-UHFFFAOYSA-N 366.820 2.684 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N(C)CCOc1ccccc1F 1857528442 SNZDPFYZDOSPRS-OLZOCXBDSA-N 361.417 2.732 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(n4cc(Cl)cn4)CC3)n[nH]c21 1857531432 TYKNKNRBBNZFCW-MNOVXSKESA-N 363.849 2.759 0 50 FFAA CCCCS(=O)(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857678650 JEJOGTPRJDDRMS-LZLYRXPVSA-N 351.468 2.667 0 50 FFAA CCCO[C@H]1C[C@@H](C(=O)NC2CCC2)CC[C@@H]1Nc1ncc(OC)cn1 1857692293 XUGQBCDVYGWRMK-JQFCIGGWSA-N 362.474 2.530 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCCOCc1ccccc1)C[C@@H]2O 1857721425 OGOMZPLESVIJCE-KAOXLYBCSA-N 367.489 2.662 0 50 FFAA COc1cccc(-c2cnc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)[nH]2)c1 1875244962 CZBKVWJKYRTDBF-INIZCTEOSA-N 362.389 2.899 0 50 FFAA O=C1O[C@H]2CN(C34CC5CC(CC(C5)C3)C4)C[C@H]2N1CCN1CCCCC1 206571384 VVDUJWOCJMYLFP-CHAHAOGTSA-N 373.541 2.946 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)no1 219611719 NYNXCKOBZPLZMY-QAPCUYQASA-N 351.450 2.687 0 50 FFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1scnc1C1CCCC1 333698342 CZQWCTUYDYATFM-CYBMUJFWSA-N 356.513 2.840 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N(C[C@H](C)C(=O)O)C3CC3)cc2)n1 237470473 KHEWCNYLVJCASD-ZDUSSCGKSA-N 355.438 2.874 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@](C)(C(=O)O)C1 237676657 VYEQTOFVQRVMEL-BONVTDFDSA-N 356.216 2.540 0 50 FFAA COc1cccc(CNS(=O)(=O)c2cnc3ccccc3c2)c1OC 242263315 XYAHIFAJSNCGDU-UHFFFAOYSA-N 358.419 2.731 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)n(C)n1 242324321 ZACNDISXBUFHTO-INIZCTEOSA-N 356.474 2.804 0 50 FFAA CC(C)(C)OC(=O)N1C[C@H]2CCN(c3cc(Cl)nc(O)n3)CC[C@H]2C1 858554573 JWAJJZJKPWXHLK-TXEJJXNPSA-N 368.865 2.919 0 50 FFAA C[C@@H](Cc1coc2ccccc12)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 952890544 VZGQROZGEDHQLM-OIPACUDHSA-N 354.454 2.637 0 50 FFAA C=CC(=O)N[C@@H](CCN(C)C(=O)c1cccc2c1OCCCO2)C(C)C 1875386484 RLLJJWZNNCNJNV-INIZCTEOSA-N 360.454 2.637 0 50 FFAA COC(=O)[C@H]1C[C@H](C)CN(C(=O)NCCc2ccc3ncccc3c2)C1 1875301019 AHYMOAIGEYBLQS-YOEHRIQHSA-N 355.438 2.618 0 50 FFAA O=C([C@H]1CC=Cc2ccccc21)N1CCN(c2ncnc3[nH]ccc23)CC1 1875321063 SMFIXPKDEFPFFH-KRWDZBQOSA-N 359.433 2.807 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C12CCC(C(=O)O)(C1)C2 1875326284 OQLMOJRXNDGDIG-UHFFFAOYSA-N 353.422 2.750 0 50 FFAA CNS(=O)(=O)c1cccc(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 888094320 HSBBQVINEPIARX-MRXNPFEDSA-N 363.483 2.803 0 50 FFAA O=C(c1cc2c(s1)CCNC2)N1CC[C@H](n2ncc3ccccc32)C1 888101535 HFXXYBHQHIZHII-HNNXBMFYSA-N 352.463 2.831 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC1=NS(=O)(=O)c2ccccc21 301508068 DKUKMJYPMOQTQL-QAPCUYQASA-N 369.490 2.636 0 50 FFAA Cc1cccc(C)c1-n1nnnc1SCC(=O)N1C[C@@H](C)C[C@@H](C)C1 18084850 KIJXSSTZZCLSEO-BETUJISGSA-N 359.499 2.876 0 50 FFAA Cn1cc([C@@H](CO)NC(=O)c2cccc(Oc3ccc(Cl)cc3)n2)cn1 2325727438 FPIUFSAGKRWSPR-MRXNPFEDSA-N 372.812 2.724 0 50 FFAA Cn1ccnc1CNC(=O)N1CCN(c2cccc3sccc23)CC1 2325776059 CSCMCJZNGPSHFS-UHFFFAOYSA-N 355.467 2.667 0 50 FFAA CN(C)[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3O[C@]3(CCOC3)C2)CC1 2325783304 MQEOHNOUFDYYFD-PLMTUMEDSA-N 358.482 2.687 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)CCCN1C(=O)c1ccon1 2325871521 OTRRULHBLBKWJJ-CQSZACIVSA-N 364.405 2.600 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-n3nc(C)cc3C)c2)C1 2325888731 VNRJRIHRCYIJEA-INIZCTEOSA-N 352.438 2.852 0 50 FFAA C=CC(=O)N(C)CC(=O)N1Cc2cccc(Br)c2C[C@H]1CC 861362752 YRVQOGWMMPLCFW-CYBMUJFWSA-N 365.271 2.757 0 50 FFAA COc1cc2c(cc1OC)CN(C(=S)NC(=O)c1ccccc1)CC2 780362 VHRQSVFBNQBDQC-UHFFFAOYSA-N 356.447 2.777 0 50 FFAA O=C1C[C@@H](Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F 1109773 AGNULNVDXZEHSS-LLVKDONJSA-N 353.325 2.920 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356168455 DXVPEBUSBMLHTP-NRFANRHFSA-N 372.465 2.514 0 50 FFAA COc1cc(CNCCO)cc(Br)c1OCc1cccnc1 4841773 VNZZWIXZKSDDLV-UHFFFAOYSA-N 367.243 2.514 0 50 FFAA CC(C)N1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1CCO 104367931 MOIKBLKKCAKJBH-LJQANCHMSA-N 362.905 2.803 0 50 FFAA Cc1ccc(C(=O)Nc2cc(NC(=O)C3=NNC(=O)CC3)ccc2C)cc1 55383758 KLMXIABOYAPUGB-UHFFFAOYSA-N 364.405 2.760 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 33820498 OYPPJMLKAYYWHH-VTCFNUOASA-N 368.470 2.545 0 50 FFAA in-vitro O=C(C[C@@H]1CCc2ccccc21)N1CCN(C(=O)c2cccc(O)c2)CC1 115711715 VELDAPIMPZWXHY-KRWDZBQOSA-N 364.445 2.797 0 50 FFAA CC(C)c1cc(C2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)[nH]n1 67757199 CBQAECRXGWKTBC-UHFFFAOYSA-N 365.437 2.789 0 50 FFAA CC(C)Cc1n[nH]c(NC(=O)NCc2ccccc2Cn2cccn2)n1 23214355 FZJHAECEKSCBMG-UHFFFAOYSA-N 353.430 2.570 0 50 FFAA CCOC(=O)N1CCC2(CCC(N3C[C@H](O)[C@@H](OC(C)C)C3)CC2)CC1 67818106 VQXQXVFMCAIDDC-ROUUACIJSA-N 368.518 2.638 0 50 FFAA CC(C)c1nnc2sc(C[C@H]3CN(Cc4ccccc4)CCO3)nn12 71712195 YZGAPLHAZOUXIW-HNNXBMFYSA-N 357.483 2.753 0 50 FFAA Cc1nc(CCNc2nncc(-c3ccc4c(c3)OCO4)n2)sc1C 12072875 ZQDVBTQLAKFNOS-UHFFFAOYSA-N 355.423 2.995 0 50 FFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cn2)on1 329697011 CCLQTZHWYFXVNN-LLVKDONJSA-N 372.244 2.666 0 50 FFAA COCCN1C(=O)C[C@@H](CN[C@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cnn(C)c1 328631021 QLTYQAOPQCEZPT-QRKMNUTDSA-N 374.529 2.515 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCc2ncc(C)s2)n1C 328625910 LCKVTQFRWOQXES-OAHLLOKOSA-N 360.483 2.794 0 50 FFAA Cc1nc(CN2CCCN(c3cncc(OCC(C)C)n3)CC2)cs1 153289476 DKJOOWVKTPVNPC-UHFFFAOYSA-N 361.515 2.989 0 50 FFAA CCOc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 153473687 MBXRIALILMLEJX-QGZVFWFLSA-N 371.481 2.894 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)NOCC(F)(F)F 363784874 QQXNBTQELBBLKD-JTQLQIEISA-N 351.756 2.959 0 50 FFAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[nH]c2c1c(-c1ccccc1)nn2C 280157954 ODKPJYYGMRJPEC-WCQYABFASA-N 351.410 2.907 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](CO)Cc3ccccc3)c12 72419926 VFFFPYDCLLIJIS-QGZVFWFLSA-N 374.448 2.749 0 50 FFAA Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 156209726 ABNLXPWDHKLYOH-VQTJNVASSA-N 366.461 2.840 0 50 FFAA Cc1ccsc1CN1C[C@H](O)[C@@H](N(C)CCc2scnc2C)C1 72473880 JCOBYQYJVXZBPF-GJZGRUSLSA-N 351.541 2.541 0 50 FFAA CC(C)c1cc(N2CCC([C@@H](O)c3nccn3C)CC2)n2nccc2n1 72157270 IJUDKPFHKHBOBQ-GOSISDBHSA-N 354.458 2.536 0 50 FFAA CC1CCN(CCNS(=O)(=O)c2cc(C(=O)O)ccc2C(C)C)CC1 236706012 ADPNVLRDGCDULD-UHFFFAOYSA-N 368.499 2.518 0 50 FFAA Fc1ccc2onc(C3CCN(Cc4cc5n(n4)CCNC5)CC3)c2c1 72126642 HDJIRJAJUQCVFZ-UHFFFAOYSA-N 355.417 2.646 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)O)C2)cc1Cl 262565572 LFFLTZPPTKWCSK-QWRGUYRKSA-N 352.818 2.871 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCC1(O)CCOCC1 237608388 RAECEAUUJSZIDU-UHFFFAOYSA-N 367.852 2.663 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 215171611 JDXACKOWQHCLKX-CQSZACIVSA-N 364.873 2.720 0 50 FFAA COc1ccc(CN(C(=O)[C@H]2CC23CCOCC3)[C@H](CO)C(C)C)cc1 376611710 SEBSFHNQMOLZCI-RTBURBONSA-N 361.482 2.857 0 50 FFAA C[S@](=O)C[C@@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1ccccc1 130074298 IUSYBLXNUNBFGH-WGDIFIGCSA-N 369.450 2.509 0 50 FFAA Cc1cc(C)nc(CCNC(=O)CN2CCC(c3ccccc3)CC2)n1 223156859 UAZNKAVEYUEPMJ-UHFFFAOYSA-N 352.482 2.632 0 50 FFAA C[C@@H](C(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1cccnc1 173369890 OADFZFXPDPDGEO-CQSZACIVSA-N 351.406 2.727 0 50 FFAA CC(=O)c1ccc(NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)nc1 131326279 KFTDRBXFXUKLJY-KRWDZBQOSA-N 366.483 2.995 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc2c(c1)CCO2 223165096 WKVKEKSSEAJLMP-QUCCMNQESA-N 353.418 2.726 0 50 FFAA Cc1ncc(CN(C)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)s1 241884887 SYNWCOGWZXJDQA-RHSMWYFYSA-N 355.504 2.644 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc2ncccc2c1 223827120 GJJJEPSCJVVABA-UHFFFAOYSA-N 352.438 2.645 0 50 FFAA Cc1cccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 82230224 NJJFBVDBXNSZPP-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1)N1CCOCC1 82166233 AZCVDLCQKCQNPB-MRXNPFEDSA-N 364.461 2.554 0 50 FFAA CC(C)N1C[C@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)CCC1=O 82137662 RXIOWBHSTZKPIM-GOSISDBHSA-N 368.474 2.627 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccc(C(=O)O)cc3F)CCO2)c1 263550237 WBFJVOCPHCYYHR-KRWDZBQOSA-N 359.353 2.746 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2nccn2CC2CC2)CC1 82147790 LUHXNQAMVLHRFI-UHFFFAOYSA-N 367.449 2.971 0 50 FFAA O=C(CCCc1ccc(F)cc1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91845944 QKXQJGZFSBPWRP-RTBURBONSA-N 362.489 2.701 0 50 FFAA Cc1ccc(N2CCC(C(=O)Nc3cccc(-n4ccnn4)c3)CC2)nc1 178241218 BRLVDEWYZLNVQK-UHFFFAOYSA-N 362.437 2.826 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CC(=O)OC12CCCCC2 97547478 VORCISAWCQINEV-ZDUSSCGKSA-N 359.451 2.916 0 50 FFAA CNc1nc(N2CCC(c3nccn3Cc3ccncc3)CC2)ncc1F 91849074 NCSXCOVYMHPECT-UHFFFAOYSA-N 367.432 2.681 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3ccccc3F)C2)n1C 95364271 LVZIBSZNDDRXCC-QGZVFWFLSA-N 368.460 2.887 0 50 FFAA Cc1nnnn1-c1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1 95512354 FCRQLWKBSZZFPH-UHFFFAOYSA-N 363.425 2.777 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1c(=O)c(C)nc2ccccc21 95515238 CNENHVWPXXEMPG-KRWDZBQOSA-N 366.421 2.673 0 50 FFAA CCCCCOc1ccc(NC(=O)N2CCN([C@H]3CCNC3)CC2)cc1 97681669 YGGPCQXVKIGTQX-SFHVURJKSA-N 360.502 2.767 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1C[C@H](CO)[C@H](CN2CCCCC2)C1 91493911 AVDUICDOTGWBTN-NHCUHLMSSA-N 368.525 2.707 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccc(=O)[nH]c1 92107331 HHXZYZYAYSABNG-CYBMUJFWSA-N 369.469 2.733 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 91327100 LEHDJWAHEDPOFY-CYBMUJFWSA-N 364.405 2.808 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3nc(C)cc3[nH]2)C1 95356055 CRATWQDWKJMLPS-MRXNPFEDSA-N 368.485 2.707 0 50 FFAA O=C1C[C@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1Cc1ccccn1 91987527 WJYNPKPNRBSXOC-HNNXBMFYSA-N 369.852 2.668 0 50 FFAA Cc1ccn2c(F)c(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)nc2c1 92077296 XLZRAMXCYBSMSW-FQEVSTJZSA-N 372.444 2.645 0 50 FFAA Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244716174 LJWBKFZIQAUQBD-SVMVAKDDSA-N 367.445 2.937 0 50 FFAA O=C(CN1CCC([C@@H](O)c2ccccn2)CC1)Nc1ccc(Cl)cn1 252506895 WCTJILPALZZAIX-GOSISDBHSA-N 360.845 2.514 0 50 FFAA O=C(c1cnn2cccnc12)N1CCC(Oc2ccc(F)cc2F)CC1 298711885 JMCNBCCLLKDBRC-UHFFFAOYSA-N 358.348 2.691 0 50 FFAA C[C@@H](CCNC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)N(C)C 534588402 UFYLKNDXIKKNSF-AWEZNQCLSA-N 353.894 2.673 0 50 FFAA O=C(CN1Cc2ccccc2C1)NC1CCN(CCc2ccccc2)CC1 299762568 NSSSLWKEUACHQO-UHFFFAOYSA-N 363.505 2.826 0 50 FFAA O=C(c1nnc2n1CCCCC2)N1CCO[C@H](c2ccc(Cl)cc2)C1 299792647 GIWGNOZTLKOAOM-HNNXBMFYSA-N 360.845 2.872 0 50 FFAA O=C(CCc1cnccn1)N1CCCN(c2nc3ccccc3s2)CC1 299766558 FGBYOZRRXMCKMI-UHFFFAOYSA-N 367.478 2.758 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2nnn(C)n2)cc1)c1nc(C)c(C)s1 822668795 GEYLZYTXHOAJBA-AWEZNQCLSA-N 356.455 2.832 0 50 FFAA CCOCCc1nc(-c2ccc(Cl)cc2)nn1C[C@@H]1COCCO1 584899153 BRBGJTMFZNQAJF-OAHLLOKOSA-N 351.834 2.593 0 50 FFAA COc1ccccc1CN(Cc1cccnc1)C(=O)N[C@@H](C(=O)O)C(C)C 670433913 BBZRCYBDZWVBRL-GOSISDBHSA-N 371.437 2.911 0 50 FFAA C[C@H]1CCN(c2nnc(CN3C(=O)Cc4ccccc43)n2C)CC12CCC2 1340035983 PTZSSLWCTWONQU-HNNXBMFYSA-N 365.481 2.921 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)s1 952983825 WGSCPRXZJWPTKY-ZDUSSCGKSA-N 364.492 2.989 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2cccc3c2CCC3=O)n1 952981363 WGBMUVXQFOBOJF-MRXNPFEDSA-N 369.421 2.755 0 50 FFAA O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nccs1 952963318 OQDQNMQBSIAIDZ-UHFFFAOYSA-N 357.435 2.677 0 50 FFAA C[C@H]1CN(Cc2csc(NC(=O)N3CCC=C(F)C3)n2)C[C@@H](C)O1 274116764 ZPIWACDNAXJFCZ-TXEJJXNPSA-N 354.451 2.843 0 50 FFAA CC1([C@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)CCCCC1 170595692 ORTBXTNBFSFZPE-HNNXBMFYSA-N 365.380 2.794 0 50 FFAA Cc1nnc(S)n1CCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 170644587 QJLDZYGTAQZLHG-STQMWFEESA-N 370.400 2.814 0 50 FFAA COc1cccc2c1CCN(C(=O)c1cnn(-c3ccccn3)c1C)CC2 193772748 PSGUTMRAXPNJLJ-UHFFFAOYSA-N 362.433 2.825 0 50 FFAA COc1ccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1O 1615738237 UQVWVXYNIUYRKW-OALUTQOASA-N 354.450 2.659 0 50 FFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2nnc3n2CCC3)c1C 1506421431 PMNFHCBEQSNTBM-UHFFFAOYSA-N 362.499 2.617 0 50 FFAA O=C(Cc1nc2ccccc2o1)N(Cc1ccccn1)C[C@@H]1CCCO1 1506420002 PTVLNBWXZIXFLQ-INIZCTEOSA-N 351.406 2.973 0 50 FFAA CCc1cc(CNS(=O)(=O)c2ccc(-c3onc(C)c3C)o2)on1 1506403958 QBLGDAATDHAQSE-UHFFFAOYSA-N 351.384 2.580 0 50 FFAA Cc1cccc(CCNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)c1 1529161788 PZAKMOVHHGAPIE-RTWAWAEBSA-N 366.461 2.561 0 50 FFAA COc1cc(-c2onc(N3CC[C@H](CN(C)C)C3)c2C(=O)O)ccc1F 1704324989 BFVQJWVQCCSTQD-LLVKDONJSA-N 363.389 2.575 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@H](C)c2cnn(C)c2)co1 11932878 LFZCMSAJWQXRPV-CYBMUJFWSA-N 370.409 2.795 0 50 FFAA O=C(NCCc1cccnc1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11937953 MPXSTPYQNZUTQB-HXUWFJFHSA-N 365.477 2.612 0 50 FFAA CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1 13583238 SKSSDCVVPUGGEV-UHFFFAOYSA-N 360.435 2.700 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O)c1cc2cc(Cl)ccc2[nH]1 13780535 FFEPTJHAPRPKOB-DOTOQJQBSA-N 372.808 2.608 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(OC)c1)C2 14541781 NCYBQYHCRSERRS-MRXNPFEDSA-N 370.497 2.651 0 50 FFAA c1cnc(Oc2ccc(CN[C@@H]3CCCN(c4ncccn4)C3)cc2)nc1 15074500 GFUIHSDMNJEKOZ-QGZVFWFLSA-N 362.437 2.818 0 50 FFAA Cc1c(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cnn1C 19792637 USDOAXDTMLDKQQ-IBGZPJMESA-N 371.504 2.654 0 50 FFAA CC(C)CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3 19962247 DCQNMIFXTJMHMG-GFCCVEGCSA-N 367.405 2.637 0 50 FFAA CCc1ccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc1 169752705 QWFDDJGYUIGFDE-UHFFFAOYSA-N 363.421 2.518 0 50 FFAA O=C(CCc1ccncc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857678250 KDGUQCPJOBCACI-VWPQPMDRSA-N 350.462 2.999 0 50 FFAA CC(C)CN1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875242723 YUGALCXMVHKPNV-LJQANCHMSA-N 359.514 2.535 0 50 FFAA CN(Cc1ccc(Br)c(F)c1)C(=O)[C@@H]1CCCN1C(=N)O 331218003 WVVGHTPQHKOLPC-LBPRGKRZSA-N 358.211 2.504 0 50 FFAA Fc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1F 129168457 OZJBTWIPGWVIEH-CQSZACIVSA-N 363.408 2.774 0 50 FFAA Cc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 247904942 JOWQNTZDYGHCIA-CJNGLKHVSA-N 373.453 2.854 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2cc[nH]c2c1 248041693 PDVHYUAWCBUYRO-QAPCUYQASA-N 363.465 2.936 0 50 FFAA Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1nncn1C 253420081 SHKHEJLVIIHBPB-NSHDSACASA-N 366.263 2.518 0 50 FFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@H](O)C=C[C@@]31CCN(C)C2 149848993 CWBPWEDEZGRSDD-VMDBXTETSA-N 366.255 2.613 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 262205376 VXMHLZPVHRKDTC-JYJNAYRXSA-N 359.422 2.807 0 50 FFAA COC(=O)N1CCC(CNC(=O)c2cc3cc(OC)ccc3nc2C)CC1 803567772 MQGZOLNJCXRLRB-UHFFFAOYSA-N 371.437 2.760 0 50 FFAA CCCOc1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)cc1 1704301376 WUMBWKXPWUEXPI-OAQYLSRUSA-N 366.465 2.968 0 50 FFAA O=C(c1n[nH]c2c1COCC2)N1CCC[C@@H](c2c[nH]c3ccccc23)C1 1875316029 RJEFLQVTYYVNSJ-CYBMUJFWSA-N 350.422 2.984 0 50 FFAA CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1(CO)CCC1 1875312719 RLGIGVWTAOSBKA-UHFFFAOYSA-N 364.243 2.826 0 50 FFAA C[C@@H](NC(=O)NC[C@@]1(CO)CC12CCOCC2)c1cccc2cc[nH]c12 1875324749 LOLKUAGAYCVEDM-JLTOFOAXSA-N 357.454 2.707 0 50 FFAA C[C@H]1C[C@H]1C(=O)NC1CC2(CC(CN=c3[nH]nc(C(F)F)s3)C2)C1 1875406584 HRRGEXONBZPXPJ-WRCLSMMLSA-N 356.442 2.641 0 50 FFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccnn3-c3ccccc3)[C@H]2C)o1 886084794 HPBBZYHQAHBTKC-BBRMVZONSA-N 351.410 2.972 0 50 FFAA O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cn2c(n1)COCC2 888092902 OWCRUJBBPYUICK-ZDUSSCGKSA-N 353.344 2.564 0 50 FFAA CN(C)[C@@H](CNC(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1cccs1 895463711 BCSVIWAINUXGAU-HOTGVXAUSA-N 366.527 2.833 0 50 FFAA CCC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1062932 GVMWTGLMLKEKAB-SFHVURJKSA-N 368.408 2.939 0 50 FFAA CN(CC1CC(C(F)(F)F)C1)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 2325778396 XGXBIFJKHBGYNS-UAOKOLBASA-N 362.415 2.853 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCC4(CCOCC4)NC3)cc2)c1C 2325840927 XRYUZTTVHJOEKE-QGZVFWFLSA-N 368.481 2.976 0 50 FFAA CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCc2cccc3[nH]ncc23)C1 2325858001 XJOROVSCRJRYSJ-SFHVURJKSA-N 363.465 2.979 0 50 FFAA COc1ccc(CCNC(=O)CC[C@H]2COc3ccccc3O2)cc1OC 1079673 FLKQPSOYSALBKJ-INIZCTEOSA-N 371.433 2.983 0 50 FFAA COc1cc(CO)ccc1OCC(=O)Nc1ccc(Br)cc1 1126468 JGAAZCPTQGEIFF-UHFFFAOYSA-N 366.211 2.968 0 50 FFAA Cc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1C 1167833 GXTBLGCHRHULPI-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21 1302269 ABMYNZIMQPLIFB-UHFFFAOYSA-N 352.390 2.966 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2Cl)cc1 2142324 APKFKBCBFRKIRG-UHFFFAOYSA-N 353.783 2.879 0 50 FFAA COc1ccc2[nH]c(SCC(=O)Nc3ccc(O)c(C(=O)O)c3)nc2c1 2753285 KPGNACCOMWZKTJ-UHFFFAOYSA-N 373.390 2.706 0 50 FFAA CCCN(C/C=C/c1ccccc1)C(=O)c1cc2ncc(CCO)cn2n1 55169146 OMOAZAXORHWYJU-RMKNXTFCSA-N 364.449 2.830 0 50 FFAA CC(C)CN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccncc2)C1=O 101764343 XBUSUPPPKXYREC-OKZBNKHCSA-N 351.406 2.584 0 50 FFAA Cn1cnnc1CC1CCN(Cc2cccc(Oc3ncccn3)c2)CC1 55228136 UVMJTKWFLRGNCL-UHFFFAOYSA-N 364.453 2.852 0 50 FFAA CC(C)Cc1nc([C@@H](C)NS(C)(=O)=O)n(-c2cccc(Cl)c2F)n1 65394982 VEMZPIMMEBFOMR-SNVBAGLBSA-N 374.869 2.869 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 67742977 DSOBDZBYHXVOKR-CQSZACIVSA-N 350.426 2.777 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2nc(C)ncc2Cl)[C@H](C)C1 72432997 CPWLVSBTWXIQJI-GFCCVEGCSA-N 360.845 2.798 0 50 FFAA CC[C@@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccccc1F)S(C)(=O)=O 67612678 NRDPCIJTOIDLAM-HIFRSBDPSA-N 356.463 2.629 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1 77379220 BDVPJMARVOFROD-UHFFFAOYSA-N 362.437 2.528 0 50 FFAA CCOc1cc(S(=O)(=O)N2CCCn3cncc3C2)ccc1Cl 72127423 XZFHSAINTPWYPQ-UHFFFAOYSA-N 355.847 2.530 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1)c1ccc(-n2cnnc2)nc1 67472817 OESUMPMQIBXHOQ-UHFFFAOYSA-N 372.388 2.780 0 50 FFAA OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1ccsc1 23145769 YISVGGTYNGOTST-SFHVURJKSA-N 374.506 2.588 0 50 FFAA CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1ccc(OC)cc1OC 1135025 COAKYVPCUHWGRU-OAHLLOKOSA-N 350.440 2.904 0 50 FFAA CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c(C)n1 2780832 AIXTVPPXXMLDAZ-GFCCVEGCSA-N 357.380 2.955 0 50 FFAA Cc1nc(Cl)cc(N2CCOC[C@H]2c2ncnn2-c2ccccc2)n1 253419221 BDMILCYBPAVKAJ-AWEZNQCLSA-N 356.817 2.597 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC[C@@H]1CCOC1)CC2 328628453 HGWFXFKZBLZCFB-HZPDHXFCSA-N 363.527 2.773 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(c4ccc5nnc(-c6ccccc6F)n5n4)[C@@H]1[C@H]3C2 253418318 OEDPIDONVMRUAO-WKHVUYTFSA-N 365.412 2.790 0 50 FFAA COc1ccc2oc(CN[C@@H]3CCN(C(=O)c4ccncc4)C3)cc2c1 362402710 QRIOAWMFBYSPNS-MRXNPFEDSA-N 351.406 2.841 0 50 FFAA O=C1NC(c2ccccc2)=N[C@]1(Nc1ccc(Cl)cn1)C(F)(F)F 4718008 NLTIAFOPZHZEPC-AWEZNQCLSA-N 354.719 2.982 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 120885310 NQTJLQMDWSLZPS-HNNXBMFYSA-N 355.373 2.515 0 50 FFAA Cc1cc(O)c(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)cn1 261899896 DRAIDTOSIPLUPM-KRWDZBQOSA-N 357.479 2.942 0 50 FFAA COc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 72157998 PUUJEJDDDJETBH-VAMGGRTRSA-N 368.456 2.687 0 50 FFAA CC(C)[C@@H]1CN(Cc2cnn(C)c2)CCC(=O)N1Cc1ccc(F)cc1 71757286 AYHAVNAHKJRKSS-IBGZPJMESA-N 358.461 2.818 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@](Cc2ccccc2)(C(=O)O)C1 71756817 RBTHZCASVCXSNS-NRFANRHFSA-N 369.465 2.895 0 50 FFAA Cc1sc2nc(CN3[C@H](C(N)=O)C[C@H]4CCCC[C@H]43)nc(O)c2c1C 372834118 BBFNEOWNVQNJSR-UPJWGTAASA-N 360.483 2.632 0 50 FFAA Cc1nc(C)c(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)o1 77470733 BUIDHSHUZIHYCX-UHFFFAOYSA-N 357.458 2.566 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 72410735 ITHADBHEFZACMS-HNNXBMFYSA-N 363.417 2.545 0 50 FFAA Cc1cc(N2CCCN(Cc3cnn4c(C)cc(C)nc34)CC2)ccn1 215505717 AASODSISWQXHCU-UHFFFAOYSA-N 350.470 2.762 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(O)(c3cccnc3)CC2)c1 72431769 ICIABAJGVLPOBY-UHFFFAOYSA-N 368.477 2.909 0 50 FFAA COc1cc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)ccn1 72428547 LQUNVTDHMQVHCE-UHFFFAOYSA-N 367.453 2.500 0 50 FFAA Cc1cc(C)cc([C@@H](NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)C(=O)O)c1 263133997 TUBKFXGMUHRRQK-MLGOLLRUSA-N 368.389 2.579 0 50 FFAA COc1cc(CCC(=O)N2CCC[C@H]2CN)ccc1OCC(F)(F)F 237316003 SHLLVGJBZNKOCD-ZDUSSCGKSA-N 360.376 2.519 0 50 FFAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCc1ccc2[nH]ccc2c1 282234254 IQBUOHOGJLEMOD-MRXNPFEDSA-N 370.497 2.605 0 50 FFAA O=C(NCCc1csc(-c2ccncc2)n1)[C@H]1Cc2ccccc2O1 223632565 MPJQKUJVGAUMQF-QGZVFWFLSA-N 351.431 2.868 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc4c(c3)OCO4)CC2=O)cc1 82107058 VKPNGFXJYKJSMM-CQSZACIVSA-N 352.390 2.601 0 50 FFAA CCn1cnnc1CCNC(=O)Nc1ccc(Cn2nc(C)cc2C)cc1 426389587 IBSVOAUCUAXCAD-UHFFFAOYSA-N 367.457 2.524 0 50 FFAA O=C(c1ncccc1O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 95521685 DOEKXADGVPPCQI-RBUKOAKNSA-N 365.477 2.956 0 50 FFAA c1coc(-c2ncc(-c3cn(CCc4cnc5ccccn45)nn3)cn2)c1 91326366 GMVMFSQWIAQOBT-UHFFFAOYSA-N 357.377 2.886 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)on1 95371220 WFMCEUBDJDIBKT-BHIYHBOVSA-N 373.403 2.964 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCN(Cc4ccccn4)CC3)c2)nn1 426538479 VYJWJFVOCBXYLW-UHFFFAOYSA-N 373.460 2.805 0 50 FFAA c1cnn(Cc2nnc(C3CCN(Cc4cscn4)CC3)n2C2CC2)c1 91873061 GALWBZYYQIOTKJ-UHFFFAOYSA-N 369.498 2.694 0 50 FFAA Cc1nc2c(c(NCCSc3cnn[nH]3)n1)Cc1ccccc1OC2 95525265 DQBPDOCPWHUXCP-UHFFFAOYSA-N 354.439 2.591 0 50 FFAA CCCn1ncc(C(=O)NCCc2nc(Cc3ccccc3)no2)c1C 91664738 ABABZDYZJBMYKG-UHFFFAOYSA-N 353.426 2.548 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95508815 LQPRPPRYDJWRSR-OAHLLOKOSA-N 365.437 2.897 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 95386134 GETSTFOCDOLLCL-SFHVURJKSA-N 369.513 2.531 0 50 FFAA CSc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1 91325582 YZGIOCPOBVZECS-DLBZAZTESA-N 358.507 2.810 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCC(CCn2cccn2)CC1 95365647 ZDOBCLSOXYKPDF-UHFFFAOYSA-N 362.437 2.678 0 50 FFAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)Nc1cccc(-c3cscn3)c1)C2 96130935 VKZTWAVVBNRGKQ-HIFRSBDPSA-N 356.451 2.943 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1nc3ccc(F)cc3[nH]1)C2 91586039 NFXHQJMVEFFBFB-CYBMUJFWSA-N 369.396 2.920 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cccc(N2CCNC2=O)c1 244866681 WANXJVRVWMSJSR-UKPHBRMFSA-N 371.462 2.520 0 50 FFAA Cc1n[nH]c(C2CCN(CC(=O)Nc3ccc(Cl)cc3F)CC2)n1 244795625 RKECYPACJGMLCP-UHFFFAOYSA-N 351.813 2.724 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 245226833 NQQTUEFYXYDZMJ-PAUSBUDFSA-N 351.402 2.845 0 50 FFAA Cc1ccc([C@](O)(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C(F)(F)F)o1 180424749 PCVUCVDAXNIMQQ-IAOVAPTHSA-N 369.339 2.503 0 50 FFAA COCCn1c(COc2c(F)ccc(Cl)c2F)nnc1[C@H]1C[C@@H](N)C1 253378412 FCNVJYFFHYTFLK-AOOOYVTPSA-N 372.803 2.640 0 50 FFAA O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@@H](n2cncn2)C1 181112091 LXMGKBNRQBOPQV-LLVKDONJSA-N 361.356 2.961 0 50 FFAA COCc1nnc(NC(=O)CN2CC=C(c3ccc(F)cc3)CC2)s1 252488577 IUYBAIXOCFGMNF-UHFFFAOYSA-N 362.430 2.551 0 50 FFAA O=C1NC[C@H](NCc2ccccc2F)n2nc(-c3ccc(F)cc3)cc21 263616780 KMNBBYCZLOFDMU-GOSISDBHSA-N 354.360 2.860 0 50 FFAA COc1ccc2oc(CNC(=O)N3CCCC[C@@H]3c3nc(C)no3)nc2c1 534645967 IYSQJIRZBPKOSE-CQSZACIVSA-N 371.397 2.965 0 50 FFAA Cc1nccn1CCCNC(=O)c1ccc(-c2cc(CO)ccn2)cc1 534652487 LAYVKQHSRKMJPJ-UHFFFAOYSA-N 350.422 2.566 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)C2)no1 299793062 JDCPXYJCUOZHHF-OAHLLOKOSA-N 367.409 2.767 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)c3cnc4cnn(C)c4c3)C2)c1OC 1940196477 NXWHIKYBDDDRAH-ZDUSSCGKSA-N 366.421 2.615 0 50 FFAA CCc1nn(C)c(NC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)c1C 299755837 FORYNWSFNPFNPS-UHFFFAOYSA-N 370.379 2.772 0 50 FFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c2ccccc12 299770093 ZIALEWFRCYGJLH-XWRIVVANSA-N 355.434 2.993 0 50 FFAA COCCN(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299802746 WRQSOIMQUAXPMT-KSZLIROESA-N 356.470 2.841 0 50 FFAA O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCC(c2ccncn2)CC1 298736372 XRUTWDIPWUSKQR-MSOLQXFVSA-N 370.497 2.611 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 299763171 PHRYDWJGPYYFJU-ZDUSSCGKSA-N 363.870 2.878 0 50 FFAA CO[C@@]1(c2nnc(COc3cccc(F)c3Br)o2)CCOC1 888100512 BALOMVRLZUQAPB-AWEZNQCLSA-N 373.178 2.812 0 50 FFAA CCCc1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565515227 VVHNEDBJNVSLDV-WBVHZDCISA-N 366.465 2.739 0 50 FFAA O=C(c1cncc(F)c1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565508501 OLQYXNKVOGFVPU-QRWLVFNGSA-N 365.452 2.925 0 50 FFAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1cc2ccccc2s1 1565510285 CHHBWLFALXPLQG-GJZGRUSLSA-N 373.503 2.723 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1cc(-c3cnn(C)c3)no1)CC2 184977669 PINOTKFUVHHXHA-UHFFFAOYSA-N 354.410 2.651 0 50 FFAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cn1 276270158 ONWDGZJBPBTJEJ-UKRRQHHQSA-N 357.841 2.961 0 50 FFAA COc1ccc(NC(=O)N[C@H]2CCCn3nc(C)nc32)c(C(F)(F)F)n1 170600022 PTDVHOAZXCBIQX-JTQLQIEISA-N 370.335 2.666 0 50 FFAA COCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 170616482 OAEKYFYDXSMETA-UHFFFAOYSA-N 359.875 2.579 0 50 FFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CSC(C)(C)C 170601435 SPDSVIYURYVPOQ-LJQANCHMSA-N 350.528 2.614 0 50 FFAA O=C(NC1(C(=O)NCC2CC2)CCCC1)c1ccc2nc(S)oc2c1 170653336 DGDYYVSECMCFEJ-UHFFFAOYSA-N 359.451 2.685 0 50 FFAA CC(C)CN1CCC(NC(=O)NCCc2nn(C)c3ccccc23)CC1 187471366 IXEHQYFKAWSIOY-UHFFFAOYSA-N 357.502 2.535 0 50 FFAA CON(C)C(=O)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 729250732 ZYMSEWNSDGGFMN-QGZVFWFLSA-N 353.378 2.776 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCOC[C@H]1c1ccc(C)o1 195263852 XASHDBJKHVOYLG-AWEZNQCLSA-N 351.424 2.667 0 50 FFAA Cn1cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c(C(F)(F)F)n1 750734860 OMCDQZNEZRWJEP-UHFFFAOYSA-N 363.343 2.597 0 50 FFAA COc1cc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)ccc1F 1615739142 GDKCRBGAZIDTSC-HKUYNNGSSA-N 370.424 2.732 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3n[nH]c4c3CCC4)CC1)OCC2 1704340382 HXNPUXRUWAXLBV-UHFFFAOYSA-N 367.449 2.611 0 50 FFAA Cc1nc(N2CCCN(C(=O)Cc3cccnc3)CC2)c2ccsc2n1 1772807842 CHJBFAINNDTRLE-UHFFFAOYSA-N 367.478 2.676 0 50 FFAA CCCOc1c(CN2CCOC[C@H](C(=O)O)C2)cc(Cl)cc1OC 1772809848 GEFMVSPCPNYVTK-CYBMUJFWSA-N 357.834 2.670 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C2CCN(C(C)=O)CC2)C1 11952683 ATHRHOSELLORDP-JOCHJYFZSA-N 372.509 2.885 0 50 FFAA COc1ccc(CCN2C[C@@H](C(=O)NCc3ccccc3)CCC2=O)cc1 12073173 BYJRHNVCMUMHIS-IBGZPJMESA-N 366.461 2.793 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)C1 12075969 IFMBEWPBIJYKTQ-GFCCVEGCSA-N 366.824 2.618 0 50 FFAA CC(C)(CO)NC(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12185690 FNDZMVUOLKFWOK-QFIPXVFZSA-N 368.477 2.698 0 50 FFAA CCCCn1c(C)c(CC(=O)N2CC[C@@H](N(C)C)C2)c2c1CCCC2=O 12373133 WISORGYTIPBWQX-MRXNPFEDSA-N 359.514 2.821 0 50 FFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2ccco2)c1 12387134 QIKCFVMLOZXCKP-UHFFFAOYSA-N 372.421 2.608 0 50 FFAA Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1ccccn1 15070691 RKMZMMGVDLCJDA-UHFFFAOYSA-N 371.441 2.614 0 50 FFAA COCCc1ncc(CN[C@H]2CCCN(CCCc3ccccc3)C2)cn1 19790980 WMGCDLZTMHCMBM-NRFANRHFSA-N 368.525 2.852 0 50 FFAA CCS(=O)(=O)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 19889740 DARNIYWTOPIPCN-UHFFFAOYSA-N 360.479 2.946 0 50 FFAA O=C(NCCc1sccc1Br)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 1857530149 CXDWVAXOLAMBFA-AYGWYOGXSA-N 373.316 2.759 0 50 FFAA O=C(c1cc(O)nc2cc(F)ccc12)N1CCc2[nH]nc(C3CC3)c2CC1 1857673662 XGADJHYHWQSGMK-UHFFFAOYSA-N 366.396 2.921 0 50 FFAA CNC(=O)Cc1nc(-c2cnc(C)cc2C)n(-c2ccc(F)cc2F)n1 1857674815 ZBXXYRDQTLQRPN-UHFFFAOYSA-N 357.364 2.513 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCCc1cccnc1 1857729274 CPIISLURMBMNBL-INIZCTEOSA-N 365.437 2.583 0 50 FFAA CCCS(=O)(=O)N1CCC(C2CCN(Cc3cc(C)no3)CC2)CC1 1857739220 NGFWCOUIJDBFFD-UHFFFAOYSA-N 369.531 2.647 0 50 FFAA CN([C@@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccs1 111353524 XSOJYWHHUFZRDV-CYBMUJFWSA-N 370.883 2.828 0 50 FFAA CCCc1cc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 328616212 BLWLCCWYYZYFRA-MRXNPFEDSA-N 369.469 2.651 0 50 FFAA N[C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 333313658 SHSGPIJVEKBINZ-NVXWUHKLSA-N 354.853 2.767 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 237650374 QZYCNZYTEKGAQQ-WWGRRREGSA-N 352.228 2.876 0 50 FFAA COC(=O)Nc1cc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)ccc1F 932125285 MSDHYMKAZRFNEC-CQSZACIVSA-N 360.389 2.986 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC(C2CCC2)C1 1875278610 PMHLUYADSGLAFU-MKJPBZQASA-N 353.466 2.910 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)c1c(C)noc1C 1875383370 RAXWXMRILZSFKO-VQIMIIECSA-N 367.449 2.653 0 50 FFAA C=CC(=O)N(Cc1nccn1C)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1875367386 YBTRVTNZIMXJJO-OAHLLOKOSA-N 374.485 2.724 0 50 FFAA CCc1cc(C)cc(CC)c1-c1c(NC(C)=O)n2n(c1=O)CCOCC2 1875340308 VKHJLULFFAGXTQ-UHFFFAOYSA-N 357.454 2.739 0 50 FFAA C=CC(=O)NCCC1CCN(C(=O)[C@H]2COc3cc(C)c(C)cc32)CC1 1875386136 JSJPVBOFWJWQHB-SFHVURJKSA-N 356.466 2.710 0 50 FFAA O=C(N[C@@H](CO)Cc1cccc(F)c1)c1c[nH]nc1-c1ccccc1F 1875348824 DFMPOMMDFMMQGX-CQSZACIVSA-N 357.360 2.688 0 50 FFAA CC(C)Cn1ncc2cc(C(=O)N3CCO[C@H](c4ccoc4)C3)cnc21 1875321128 VQJAKKRYHYJHLF-KRWDZBQOSA-N 354.410 2.894 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)CC1 1875365778 YFJIKVQMPFDYAG-VQIMIIECSA-N 356.466 2.708 0 50 FFAA Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)N(C(C)C)C(C)C)n(C)c2n1 888090921 SRZVBLOJUPHKAT-UHFFFAOYSA-N 372.391 2.708 0 50 FFAA CC(C)(C)n1nc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)cc1C1CC1 888076906 XALHAFNXAICSCM-OAHLLOKOSA-N 354.458 2.865 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC(N)CC1 237466017 CSADVWJBTVWNSR-SECBINFHSA-N 361.667 2.820 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(F)cc(OC)c3)C2)CC1 2325888068 ZDDYSYXJYMANLV-MRXNPFEDSA-N 374.456 2.965 0 50 FFAA Cc1ccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)cc1Cl 824545 WJIPBNLNTLTEMK-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2cccc(C)c2)S(C)(=O)=O)cc1 835362 RQPZMQMGECVZLU-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O 882556 XLBVNIARSHKXCO-UHFFFAOYSA-N 358.891 2.673 0 50 FFAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 915130 NUGZBAGKZYUTEJ-FQEVSTJZSA-N 355.390 2.531 0 50 FFAA Cc1ccc(C)c(C(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1150778 MIYONXGBJVBBRD-AWEZNQCLSA-N 365.385 2.714 0 50 FFAA CC(C)(C)c1ccc(OCC(=O)OCCNC(=O)c2cccnc2)cc1 2679822 YKFZVXNUWMFQNR-UHFFFAOYSA-N 356.422 2.731 0 50 FFAA Cn1c(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cnc1-c1ccccc1 2356159934 WNILTOHKMGCKIB-NRFANRHFSA-N 361.449 2.930 0 50 FFAA CC(C)[C@H]1CC(=O)c2nc(NC(=O)c3cnc4cnn(C)c4c3)oc2C1 2356169743 YBWITBHKTBDCNT-JTQLQIEISA-N 353.382 2.610 0 50 FFAA Cc1cccc(N2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c1C 8025727 YPRBJKBEIQLGPJ-UHFFFAOYSA-N 365.477 2.772 0 50 FFAA COCCN1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@@H]1C 412121614 MGKOSZWCBUTDTO-AWEZNQCLSA-N 351.516 2.984 0 50 FFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@H](C)N1CCN(C)CC1 55119574 XMYSPJALLIZTEC-HNNXBMFYSA-N 373.526 2.752 0 50 FFAA COC(=O)c1cccc(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)c1 225441956 UTNUSTKTXDAMTQ-QGZVFWFLSA-N 365.389 2.878 0 50 FFAA O=C(NCc1ccccc1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 55393264 BIDYQGSOPVTGMM-UHFFFAOYSA-N 362.437 2.887 0 50 FFAA O=C1NCCN(C(=O)c2cn[nH]c2-c2cccs2)[C@@H]1c1ccc(F)cc1 20453972 QJOGUZTZHVLCNX-MRXNPFEDSA-N 370.409 2.591 0 50 FFAA C[C@@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCOCC1 20454221 JESGIRNSRWKZPE-INIZCTEOSA-N 356.470 2.669 0 50 FFAA Cc1ccccc1-n1cc([C@H]2CC(=O)Nc3cc4c(cc32)NC(=O)CO4)cn1 65372624 YVCZXVHPBOZFKF-CQSZACIVSA-N 374.400 2.986 0 50 FFAA COc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)ccc1O 67654346 VPDTVYMLSIEZLK-LAUBAEHRSA-N 355.434 2.857 0 50 FFAA CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)Cc1ccco1)[C@@H]2O 20859155 NBBITXVEZPJOBI-UXHICEINSA-N 354.450 2.707 0 50 FFAA CN(CCCn1cccn1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67855081 ZIOMXBGBEJFTGB-UHFFFAOYSA-N 362.437 2.772 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 65501617 GMLWCSHOGRYIGS-UHFFFAOYSA-N 362.481 2.855 0 50 FFAA CC(C)(C)c1nnc(NC(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)s1 65405331 MVEWVHGUVHRAGR-NSHDSACASA-N 365.503 2.748 0 50 FFAA CCCO[C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 71765445 WSMZVPUWOPSRTI-MRXNPFEDSA-N 353.470 2.580 0 50 FFAA Cc1ccc(C2(c3noc(CN4CCC[C@@H](C(N)=O)C4)n3)CCCC2)cc1 11840560 RCVPNUKCVVIPCX-MRXNPFEDSA-N 368.481 2.935 0 50 FFAA CN(C[C@H]1CCCO1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 122685650 PZJRNSQWJQSSKV-CYBMUJFWSA-N 361.392 2.890 0 50 FFAA O=C(O)CN(C(=O)/C=C/c1ccccc1OC(F)(F)F)C1CCOCC1 328594828 CONYHIPARYZPBB-AATRIKPKSA-N 373.327 2.691 0 50 FFAA Cc1noc([C@@H](Nc2cnc3cc(F)c(F)cc3n2)C2CCOCC2)n1 328609011 BXMKAMLTMKFEFK-INIZCTEOSA-N 361.352 3.179 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2cnc(C)s2)CC1 328629096 HXZHYHQVLMXADV-KRWDZBQOSA-N 359.499 2.645 0 50 FFAA Cc1ccc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1C(=O)N(C)C 363429385 LTJKKAFQHKZUJN-MRXNPFEDSA-N 371.441 2.716 0 50 FFAA O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H](F)C[C@H]1CO 364629032 JSHBGRLHNHYYAX-UWVGGRQHSA-N 355.316 2.773 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1 366381747 QTWPUQFQSOSBOA-FKICDVMDSA-N 370.493 2.855 0 50 FFAA CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C1 330792495 URDHXWOPMWTQMB-QWHCGFSZSA-N 358.360 2.962 0 50 FFAA C[C@H](C1CCN(Cc2ccccc2Cn2cccn2)CC1)N1CCOCC1 72478901 AEURASMOHLUJOK-LJQANCHMSA-N 368.525 2.864 0 50 FFAA Fc1nc(F)c(I)cc1I 218266373 IECQVDGWAMQGFP-UHFFFAOYSA-N 366.874 2.569 0 50 FFAA Cn1nc(CN2CCNC(=O)[C@@H]2Cc2ccccc2)c2c(Cl)cccc21 215469171 URNVOFYKUBSOET-SFHVURJKSA-N 368.868 2.770 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2cc3ccccc3n2)n1 219941729 LXWOCHJRQZNZHT-UHFFFAOYSA-N 363.343 2.512 0 50 FFAA CN(Cc1nccs1)Cc1c(C(=O)N2CCCC2)nc2sccn12 71763321 USCQSHBZAFLPIB-UHFFFAOYSA-N 361.496 2.720 0 50 FFAA Cc1c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C(=O)O)oc2ccc(F)cc12 332210614 GHSVIASTMJPJAL-YMTOWFKASA-N 355.387 2.754 0 50 FFAA CCCc1cc(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)[nH]n1 72473751 LDIGQSHLMHVVEY-UHFFFAOYSA-N 353.426 2.829 0 50 FFAA O=C(NC1CCN(C(=O)C2CC2)CC1)N1CCCc2ccccc2CC1 333811418 ICUPAUIUFISXGJ-UHFFFAOYSA-N 355.482 2.588 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1 72458939 BSZBHORNPWGKKP-SFHVURJKSA-N 369.513 2.524 0 50 FFAA CO[C@H]1C[C@H](CC(=O)O)N(C(=O)COc2ccccc2-c2ccccc2)C1 263163419 VQLDLUGLOHVUPD-SJORKVTESA-N 369.417 2.823 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)Cc1ccc(O)c(Cl)c1 222313729 DCOQGJIPHDHTPK-UHFFFAOYSA-N 361.751 2.928 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)CC1CCOCC1 173004386 SOBGYXMOQYKRDO-UHFFFAOYSA-N 351.390 2.894 0 50 FFAA O=S(=O)(Nc1ccc(Br)c(C(F)(F)F)c1)N1CCC1 241277605 LHMKJICTRPNYIC-UHFFFAOYSA-N 359.167 2.830 0 50 FFAA CSc1cccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1 82146531 DVZXDOANSZLLPK-FQEVSTJZSA-N 362.539 2.996 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)s1 17074935 FXFNZVXJGPCMNV-TWZWYRAHSA-N 364.467 2.875 0 50 FFAA Cc1nc(CSc2nnc(C3CCNCC3)n2C[C@@H]2CCCO2)co1 426490511 PREIXWHVQMSHEW-HNNXBMFYSA-N 363.487 2.513 0 50 FFAA CC(C)c1noc(CNC(=O)N(C)Cc2cc(-c3ccncc3)no2)n1 426477437 SEPHUEWPOQAVGT-UHFFFAOYSA-N 356.386 2.585 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CN)cc2)cc1 426726741 JBLFCCLCUBWLAS-SFHVURJKSA-N 372.490 2.711 0 50 FFAA O=C(CCCC(=O)N1CCCN(c2ncccn2)CC1)c1ccccc1 220298747 RTCYZEUXNAFSJZ-UHFFFAOYSA-N 352.438 2.569 0 50 FFAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc([C@@H]1CCOC1)n2C(C)C 82087776 YSKWOFMABQLPNH-CYBMUJFWSA-N 351.472 2.808 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C(=O)O 91585581 QMAKDZOYCIZECJ-LSDHHAIUSA-N 362.813 2.896 0 50 FFAA O=C(C1CCC1)N1CCC(C(=O)N2CCCN(c3ccccc3)CC2)CC1 91679094 WINCWMXFHGFJDA-UHFFFAOYSA-N 369.509 2.764 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccccc2Cl)C1 91876688 GFCSNKPKBBXCRD-CYBMUJFWSA-N 369.918 2.870 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CCC[C@H](CS(C)(=O)=O)C3)coc2c1 426503054 QTUWOSQFMDGAQZ-HNNXBMFYSA-N 363.479 2.875 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)c(C)c2c1 96131245 WDUSDNGXMYPKRS-ACJLOTCBSA-N 369.421 2.769 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)c2cc(-c3ccccc3O)n[nH]2)n1 91997098 DTVVSPVGSOHBJV-HNNXBMFYSA-N 353.382 2.841 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)no1 95361526 PHCWBVXNJSQREK-OAHLLOKOSA-N 359.474 2.576 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)N[C@H](C)c1ccccc1)CC2 92045582 FKCBPDVODKDCFH-QGZVFWFLSA-N 373.497 2.808 0 50 FFAA c1cc(Cn2ccnc2[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)ccn1 91452302 GIYZZLLGJRXHCY-MRXNPFEDSA-N 359.437 2.982 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95375180 FDPRWEYUCGOKEL-QGZVFWFLSA-N 365.458 2.961 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@@H]3Cc4ccccc4CN3C)cc2)no1 95388928 PJOWHASDIRTREC-IBGZPJMESA-N 362.433 2.718 0 50 FFAA CCN1C[C@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CC1=O 91782289 MWOIUOMCEGXNPH-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239426036 VQDUNHPSQQLHTQ-RDXDGJJNSA-N 370.836 2.640 0 50 FFAA CC(C)Cc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)no1 95366893 FTLMWDVRWRHDTF-KRWDZBQOSA-N 368.481 2.906 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NC1CCN(Cc2ccccn2)CC1 95378227 FFDJNLXAJUHLHV-INIZCTEOSA-N 355.486 2.743 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)s1 91713330 XVFIHOXCFMDWCK-LSDHHAIUSA-N 372.494 2.719 0 50 FFAA CCCn1cc(C(=O)NC2CCN(C3CCSCC3)CC2)c(C)n1 91755914 XVEDEZPEESDKIB-UHFFFAOYSA-N 350.532 2.691 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1nc(-c2ccccc2)no1)c1ccccc1F 95353723 ZYHAJVWGSSMUSS-GOSISDBHSA-N 368.412 2.837 0 50 FFAA O=C1NC2(CCN(C(=O)CCc3cccnc3)CC2)C[C@H]1c1ccccc1 95387420 MZTVBIVIJHSHOG-IBGZPJMESA-N 363.461 2.679 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCCO1)c1cccc(Br)c1 238128112 KXSSFYQDWFKMQP-QWHCGFSZSA-N 356.216 2.650 0 50 FFAA COc1cccc(N2CCN(Cc3cn4ccc(C)cc4n3)CC2=O)c1 91914597 VTRSRQKUFRUHPZ-UHFFFAOYSA-N 350.422 2.500 0 50 FFAA CCc1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 95355908 LNPPGEVCTLOTPR-AWEZNQCLSA-N 364.409 2.504 0 50 FFAA CN(C)c1ccc(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cn1 91550880 UAFYWPBWVSWGGB-NRFANRHFSA-N 356.514 2.762 0 50 FFAA Cc1cccnc1CN(CC(=O)Nc1nc(C)c(C(=O)O)s1)C(C)C 244882856 YALDTBHGELBDQN-UHFFFAOYSA-N 362.455 2.702 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccccn2)n[nH]1 253412436 QZTWLOGIGSSVKD-HNAYVOBHSA-N 353.470 2.808 0 50 FFAA biogenic COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccccc4)c3CO2)cc1 263616415 INHLKKYPUCMEIV-QGZVFWFLSA-N 350.378 2.811 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C(C)=O)cn2)cc1 534631088 MJJXCIWPEYHKOW-ZDUSSCGKSA-N 353.422 2.548 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3c(F)cccc3OC)cc2C1 299784150 WROFPGWAOAYFCO-UHFFFAOYSA-N 360.433 2.577 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)c1nc(-c2ccccc2)[nH]c1C)C1CC1 299792904 HFZDCLWAGXOHOR-INIZCTEOSA-N 350.426 2.878 0 50 FFAA CN(CC(=O)NC[C@@H]1CCN(c2cccc(Cl)c2)C1)Cc1cccnc1 299755233 BVXAOKDZWLJCMO-KRWDZBQOSA-N 372.900 2.810 0 50 FFAA Cc1cc(C)n(CCNC(=O)Cc2coc3c(C)c(C)cc(C)c23)c(=O)n1 827855716 YYTMWDWFIWHIEP-UHFFFAOYSA-N 367.449 2.891 0 50 FFAA CCOC(=O)c1cc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)c(C)[nH]1 584888750 LBPLSXIPLDUEFF-QGZVFWFLSA-N 369.465 2.943 0 50 FFAA CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NC)cc1C 952976774 UQLINHALNXDJJV-CVEARBPZSA-N 359.470 2.626 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 186117866 DCVFSKSJYYITLC-HNNXBMFYSA-N 364.461 2.527 0 50 FFAA Cn1nc2n(c1=O)CCN(CCCCc1ccc(Cl)c(Cl)c1)C2 170607095 DMOUHCIDKYQOQS-UHFFFAOYSA-N 355.269 2.727 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](N)C2)cnn1-c1cccc(C(F)(F)F)c1 191337187 SMSJRWFCLQXQMQ-CYBMUJFWSA-N 352.360 2.763 0 50 FFAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(F)cc(Br)c2)C1(C)C 191766489 IPJLNDFFLFPHBM-CJNGLKHVSA-N 374.250 2.884 0 50 FFAA CC(=O)c1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)ccc1C 193850098 FMEXEXODQVCSBT-UHFFFAOYSA-N 351.450 2.987 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)CN2CCCN(C(=O)c3ccoc3)CC2)cc1 1506402371 QSSQRLOALDVZGO-QGZVFWFLSA-N 369.465 2.613 0 50 FFAA O=C(NCc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216169527 DHAOKNFRQOKTNT-AEFFLSMTSA-N 359.445 2.758 0 50 FFAA Cc1ccc(C)c(OCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1C 1529197956 ZYUQLSHYJLLFGE-FGTMMUONSA-N 358.482 2.706 0 50 FFAA O=C(c1ccc(N2CCCC2)cc1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529186937 MUUAUGABPBMYHE-NHCUHLMSSA-N 366.461 2.861 0 50 FFAA CCCCOc1ccccc1C(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1704348904 XTYSEOGTUKMLBC-CRAIPNDOSA-N 357.454 2.573 0 50 FFAA COc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)c(OC)c1OC 1775979713 LRNJZDFEYLICKF-UHFFFAOYSA-N 372.465 2.791 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3ccccc3C)CC2=O)cc1 11954187 HEEFBCJIBPQJRS-KRWDZBQOSA-N 352.434 2.577 0 50 FFAA CC1(C)C[C@H](C(=O)NC[C@@H]2Cc3cc(-c4cnccn4)ccc3O2)CCO1 12279147 RZHTXOMHYUYYEG-WBVHZDCISA-N 367.449 2.769 0 50 FFAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)c1 12404307 QLASHPIVZGTEEY-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)NC2CCCCC2)CC1 12836290 YRXAXZKDFIVOLN-UHFFFAOYSA-N 374.481 2.765 0 50 FFAA C[C@@H](CNC(=O)C1CCC1)Oc1cccc(CN(C)Cc2cnccn2)c1 14879780 VJPRQAJDFWSUGD-INIZCTEOSA-N 368.481 2.792 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)CC3=CCCCC3)CC2=O)cc1 14963284 IVVQWRZPGQLKTL-GOSISDBHSA-N 356.466 2.845 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CNC3Cc4ccccc4C3)C2=O)c1 14979735 WXHTWPBQGRQNDZ-HSZRJFAPSA-N 364.489 2.606 0 50 FFAA CC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16626708 JRVYYJVTFKEXAQ-GFCCVEGCSA-N 356.513 2.721 0 50 FFAA CSc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C)CC1 16652081 HLKVIROLFBMQQS-UHFFFAOYSA-N 356.513 2.531 0 50 FFAA O=C(NCc1ccco1)C1CCN(C(=O)c2c[nH]c3ccccc23)CC1 19146492 HFSXLMXZFBLBPJ-UHFFFAOYSA-N 351.406 2.930 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 19794561 YABHOXHNRYMFGR-UHFFFAOYSA-N 354.406 2.558 0 50 FFAA CC(C)=CC[C@@]1(C(=O)NCCCn2c(C)cccc2=O)C[C@@H]2CC[C@H]1N2 1857680699 SLMGLETXGHTQSF-WAOWUJCRSA-N 357.498 2.530 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)n[nH]1 1857696912 QIOJLNNLSJWZAD-HXUWFJFHSA-N 369.469 2.631 0 50 FFAA O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857697784 MNZWPIPEINLILF-CQSZACIVSA-N 351.431 2.966 0 50 FFAA Cc1cccc(CNC(=O)c2cc3c(s2)CCOC32CCN(C)CC2)n1 1857705378 FGJJVDMYVZJGIR-UHFFFAOYSA-N 371.506 2.875 0 50 FFAA OCC[C@H]1CN2C[C@H](n3ccnc3-c3ccc(Cl)cc3F)C[C@H]2CO1 1857737659 XWOUUDCPYTWVML-ILXRZTDVSA-N 365.836 2.739 0 50 FFAA Cc1cccc2cc(C(=O)N3CC[C@H](O)[C@](CC4CC4)(C(=O)O)C3)oc12 1875243558 MEDBUGULZJOMIW-OXJNMPFZSA-N 357.406 2.819 0 50 FFAA O=C(Cc1cc(F)cc(Cl)c1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875244309 GSHFTEHIQBZMFY-HKUYNNGSSA-N 363.816 2.983 0 50 FFAA Cc1ccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)c2cccnc12 263741679 FFEMNIMBHDDOQH-UHFFFAOYSA-N 356.451 2.555 0 50 FFAA CC(C)NC(=O)OC1CN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 807804582 FZVYHTWCTOSSRO-UHFFFAOYSA-N 361.442 2.752 0 50 FFAA C[S@@](=O)(=NS(=O)(=O)Nc1ccc2c(c1)CCCO2)c1ccccc1 872347739 VPFWNDZHFGSSCK-QHCPKHFHSA-N 366.464 2.825 0 50 FFAA CCN(CCNC(=O)[C@H]1CC12CCCC2)c1cc(C)nc2cc(C)nn12 1875336326 WULLAAJLLWVYTG-MRXNPFEDSA-N 355.486 2.869 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H](Cc2ccsc2)NC=O)CC[C@@H](c2ccccc2)O1 1875321724 SOMJXFFQMAWQNN-LZQZEXGQSA-N 372.490 2.784 0 50 FFAA Cc1cc(=N[C@@H]2CCC[C@H](NC(=O)[C@@H]3CC34CC4)C2)[nH]c(CC2CC2)n1 1875405488 HGMWVXQDQVKSPU-IKGGRYGDSA-N 354.498 2.799 0 50 FFAA Cc1nc(Cl)nc(N2C[C@H](C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@@H]2C)c1F 1875407665 FQSBWWYWJYFJTK-BLFANLJRSA-N 354.857 2.907 0 50 FFAA C[C@@H](CCc1ccccc1F)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886085653 ZXTJLKTUFNPAAP-POZUXBRTSA-N 358.461 2.832 0 50 FFAA C[C@H](NC(=O)c1nc(Br)cs1)c1cc2n(n1)CCCC2 898394829 KKTCJPLTFOHENG-QMMMGPOBSA-N 355.261 2.929 0 50 FFAA C[C@H](CNC(=O)Cc1c[nH]c2c(Br)cccc12)CC(=O)O 2325792337 VOFHYEHFYHAVDY-VIFPVBQESA-N 353.216 2.700 0 50 FFAA Cn1nc(CCNCc2cc3cnn(C)c3nc2Cl)c2ccccc21 2325794883 VCTNTAUTCFWOQY-UHFFFAOYSA-N 354.845 2.841 0 50 FFAA COc1ccc(C[C@@H](C)C(=O)Nc2cc3c(cc2O)OCCO3)cc1OC 2325810537 QDSDPRFSVGJLLY-GFCCVEGCSA-N 373.405 2.998 0 50 FFAA O=C1CCc2cc(C(=O)NC[C@@H]3CCN3CCCC3CCC3)ccc2N1 2325867612 ADTAVQNJVNUZBH-SFHVURJKSA-N 355.482 2.956 0 50 FFAA COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1072359 DVEXQJOLPQHNEJ-ZDUSSCGKSA-N 356.353 2.604 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H](C)C3)C2)cc1 1128090 GYROYZVYGSDGNF-IRXDYDNUSA-N 364.511 2.654 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCN(C4CCCC4)C(=O)C3)n2)cc1 2356134434 MQBHKQOIIVOMBX-UHFFFAOYSA-N 365.481 2.801 0 50 FFAA C[C@@H](C(=O)NCc1cccc2ncnn12)N1C(=O)c2cccc3cccc1c23 2356160032 ZTKCJRXPLICQFO-ZDUSSCGKSA-N 371.400 2.548 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)Nc1ccccc1 4809478 UBIXGNPNIBETIR-QGZVFWFLSA-N 374.462 2.705 0 50 FFAA Cc1nc2ccc(NC(=O)N3CCN(Cc4nccn4C)CC3)cc2s1 106316787 QBCFFAIFINSTRR-UHFFFAOYSA-N 370.482 2.688 0 50 FFAA CN(Cc1ccccc1NC(=O)NC[C@H]1COCCO1)C1CCCCC1 56550362 IIHAPRLOMAPXLN-SFHVURJKSA-N 361.486 2.988 0 50 FFAA O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCCCC1 9236811 SSAGGZCDSYEHPU-LBPRGKRZSA-N 351.244 2.815 0 50 FFAA Cc1nc2cc(C(=O)N[C@H]3CCC(=O)N(C)C3)ccc2n1-c1ccccc1 134121825 XGLOSBVVFZQJGJ-INIZCTEOSA-N 362.433 2.685 0 50 FFAA Cc1ccc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)oc2c1 23127125 SAYQOQIMQXWQGS-WBVHZDCISA-N 362.429 2.882 0 50 FFAA biogenic COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1Cc1nnn[nH]1 65419077 QBMHHHXGYWDGGV-UHFFFAOYSA-N 350.357 2.926 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)c1cccc(Cn2cccn2)c1 65527981 IAZFILQXEYOZSH-UHFFFAOYSA-N 352.463 2.849 0 50 FFAA CC(C)(N)c1cn(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)nn1 23192982 YUFPKPITTODNLP-UHFFFAOYSA-N 360.437 2.555 0 50 FFAA COC(=O)c1ccc(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)cc1 77456937 YVSJMTGBLWADSY-UHFFFAOYSA-N 374.387 2.643 0 50 FFAA Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 20271290 DPNRUCBFLPFFPF-OAHLLOKOSA-N 356.405 2.543 0 50 FFAA Cc1cccc(-n2cc(CN3CCN(c4ncc(Cl)cn4)CC3)cn2)c1 65432497 YVHFWGYSTCYUTR-UHFFFAOYSA-N 368.872 2.946 0 50 FFAA COc1ccc(C2=NO[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 4904119 QIHKRAXUPHWAAE-FQEVSTJZSA-N 365.433 2.537 0 50 FFAA O=C(NCCCOc1cccnc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12304316 WLKSGQWHYMYUIF-SFHVURJKSA-N 373.497 2.786 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCO[C@H](Cc2ccccc2)C1 12386947 QFXVZBIQEYYZGN-OAQYLSRUSA-N 368.477 2.962 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 253429851 OOZZEPXVXHPFCI-YVSFHVDLSA-N 367.534 2.726 0 50 FFAA Cc1cccc(O[C@@H](C(=O)N2CCc3c(ncnc3N(C)C)C2)C(C)C)c1 71735599 TZYREWOIZYSWAO-LJQANCHMSA-N 368.481 2.839 0 50 FFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCC[C@H](c2ncc[nH]2)C1 77394084 SWBSWCLDPSMNTD-NSHDSACASA-N 356.813 2.924 0 50 FFAA CN(Cc1cccc(N(C)C)c1)C(=O)c1cc2c([nH]c1=O)CCCCC2 126052764 YZGLEMNXHITCHK-UHFFFAOYSA-N 353.466 2.982 0 50 FFAA Cc1ccc(-c2cncc(C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)c2)cc1 363949948 OJQGUPKSSDOSMI-SFTDATJTSA-N 365.477 2.728 0 50 FFAA COCCc1noc(-c2cn(Cc3cccc(C(F)(F)F)c3)nn2)n1 72151228 IUWRQPHFWBRIHY-UHFFFAOYSA-N 353.304 2.584 0 50 FFAA CC(C)S(=O)(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 15075839 LBOZUFNNOKFAIK-SFHVURJKSA-N 356.532 2.619 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccccc1-c1nccnc1N1CCCC1 215667521 HRQAEELDDNMLTF-UHFFFAOYSA-N 360.483 2.821 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2CCn2cccn2)c1 77539726 OFFQRGMWEPJPFK-KRWDZBQOSA-N 357.454 2.914 0 50 FFAA C=CC(=O)NCCC(=O)Nc1c(C)cnn1[C@@H]1CCCc2ccccc21 156775570 RCSZLOGFSSBOKF-QGZVFWFLSA-N 352.438 2.748 0 50 FFAA O=C(Nc1cccc(CCO)c1)c1ccc(CN2CCC(CO)CC2)cc1 456911099 HGFLETKQHKCCBI-UHFFFAOYSA-N 368.477 2.678 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 77505481 OOMWAWPWGLJJLK-LJQANCHMSA-N 374.868 2.726 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2cnc(N(C)C)nc2C)[C@@H](C)C1 77284970 AQOIQQYJAPGOTH-HNNXBMFYSA-N 353.470 2.510 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)Nc1ccccc1CN1CCNC1=O 241338589 MCBKGODOPSRSKS-UHFFFAOYSA-N 356.426 2.959 0 50 FFAA COc1ccc(N2CCN(Cc3snnc3C(C)C)[C@H](C)C2=O)cc1 77437848 UTCADITXUWCLBV-CYBMUJFWSA-N 360.483 2.907 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 44276573 RPGCGDZPKTZRNL-UHFFFAOYSA-N 374.485 2.979 0 50 FFAA CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC)C[C@@H]1CC 456335776 APLAIEROJSZJJA-INIZCTEOSA-N 356.470 2.827 0 50 FFAA Cn1ccnc1[C@H](NCc1cn2cc(Cl)ccc2n1)C1CCOCC1 284715475 LBQJBIRWQBGLAQ-QGZVFWFLSA-N 359.861 2.979 0 50 FFAA CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 42816929 YQFDOLPEJCYXDA-UHFFFAOYSA-N 352.500 2.533 0 50 FFAA CCOc1ccc(NC(=O)N(C)C[C@H]2CC(=O)N(C)C2)cc1-n1cccc1 426661350 QBGKEMRKUQEUSJ-HNNXBMFYSA-N 370.453 2.818 0 50 FFAA OCCn1nc(-c2ccccc2)cc1NCc1cccc2c1OCCO2 238205941 QLGLQVHXUBTQRQ-UHFFFAOYSA-N 351.406 2.926 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc(Cl)c(C)c1)CC2 426412852 YQTCHWPILGZCND-VDZJLULYSA-N 367.873 2.810 0 50 FFAA COCc1ccc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)s1 97447111 QEVJZLJHVQGOAU-AWEZNQCLSA-N 358.463 2.698 0 50 FFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2 95384461 VOZGKLMMWZAOGE-CQSZACIVSA-N 370.371 2.603 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)c(C)n1C 91445230 ODUBANOEAXFNGT-OAQYLSRUSA-N 357.498 2.897 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3ccccc3[nH]1)C2 92078908 IMABNPYNPOVRJB-MAUKXSAKSA-N 374.444 2.940 0 50 FFAA Cc1nnc(SCCNC(=O)N(C)Cc2cc(C3CC3)on2)s1 426361463 YOTWVLFLPQWUTA-UHFFFAOYSA-N 353.473 2.646 0 50 FFAA CCc1nnc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)s1 95519936 KBHNXMXSLLYVHH-UHFFFAOYSA-N 374.426 2.789 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)c2)n1 91452241 OPJSZDLGISPVLD-AZUAARDMSA-N 352.482 2.714 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cncn2Cc2ccccc2)CC1 244633661 GHEURXLTYPMBEC-FQEVSTJZSA-N 365.481 2.611 0 50 FFAA C[C@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCN(C)CC1 244852743 UXUASMKVLWOEGI-OAHLLOKOSA-N 374.460 2.513 0 50 FFAA Oc1nc(CN2CCC([C@H](O)c3ccccn3)CC2)nc2ccsc12 253536687 KQKPDQQXYWLNCI-INIZCTEOSA-N 356.451 2.738 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 299745547 QZYCNZYTEKGAQQ-XEZPLFJOSA-N 352.228 2.876 0 50 FFAA Cc1ccc([C@H]2C[C@@H]2C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 102003181 GUEZMMUCPGOLSC-CABCVRRESA-N 351.431 2.867 0 50 FFAA O=C(COC[C@@H]1CCCO1)NCc1cc(-c2ccccc2Cl)no1 299795439 LIJUNYHRNPYTQX-LBPRGKRZSA-N 350.802 2.807 0 50 FFAA CCOc1ccc(NC(=O)N2CCC[C@](CO)(CN(C)C)C2)cc1Cl 299781575 LZMUTSMIOQGFIF-SFHVURJKSA-N 369.893 2.907 0 50 FFAA CCCN1CCOC2(CCN(C(=O)c3cccc4c3NCCC4)CC2)C1 822921653 RHNOOCUWVPRWMB-UHFFFAOYSA-N 357.498 2.762 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NCCN2CCC[C@H](CO)C2)cc1 828711197 PPUMEHJBNYCDNG-KRWDZBQOSA-N 368.477 2.796 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCCc2c(C)noc2C)cn1 824835218 XRWUOYNBPCGTSE-UHFFFAOYSA-N 354.410 2.848 0 50 FFAA CN1CCc2c(sc3ncn(Cc4cc(-c5ccco5)on4)c(=O)c23)C1 584889498 WXVYMXKEZAKWEX-UHFFFAOYSA-N 368.418 2.742 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cc(-c2ccccn2)[nH]n1 670441072 RYBBGSKAUBOXHC-LJQANCHMSA-N 358.405 2.840 0 50 FFAA O=C(c1cccnc1)N1C[C@H]2CC[C@@H](C1)N(CCC(F)(F)C(F)F)C2 1073315769 SLFTXJNJTRSKCU-JSGCOSHPSA-N 359.367 2.909 0 50 FFAA COc1cccc(CNCc2ccc3nsnc3c2)c1O[C@H](C)C(=O)O 952965329 DTBYFIQXYXVNLK-LLVKDONJSA-N 373.434 2.842 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 952860160 GPGAFUVSPULZHI-LJQANCHMSA-N 365.477 2.962 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)cn1 1565526762 ZLENGEWYDFPXMD-AEFFLSMTSA-N 354.429 2.661 0 50 FFAA CNC(=O)c1ccn([C@@H]2CCCN([C@H](C)c3nc4ccccc4o3)C2)n1 276043036 SHNLLCYNLZYTHA-ZIAGYGMSSA-N 353.426 2.782 0 50 FFAA CCc1nnc(S)n1CCNC(=O)c1c(C)oc2ccc(OC)cc12 170641483 CSSAZIITIRRUJG-UHFFFAOYSA-N 360.439 2.622 0 50 FFAA COc1ccccc1-c1nc(C2CCN(C(=O)c3cnsn3)CC2)no1 190198809 BNHGAJHPXCSHTB-UHFFFAOYSA-N 371.422 2.617 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)c3cccc4c3CCC4=O)cc2N(C)C1=O 1506409694 ZPUXLNJXGMGPPK-LLVKDONJSA-N 350.374 2.812 0 50 FFAA COc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c(OC)c1 216415059 BJWHYPDZAHGQLP-MSOLQXFVSA-N 369.417 2.573 0 50 FFAA COc1ccc2c(c1)nc([S@@](=O)Cc1ncc(C)c(OC)c1C)n2C 33835491 RUGQJBJNYIHOIW-RUZDIDTESA-N 359.451 2.910 0 50 FFAA in-vitro Cc1cccc(CN(C(=O)c2cnc(C(N)=O)cn2)C2CCCCC2)c1 1772712800 ZCONDLDKLCKXCP-UHFFFAOYSA-N 352.438 2.859 0 50 FFAA C[C@@H](C(=O)N1CCC(C2(O)CC2)CC1)N1C(=O)c2cccc3cccc1c23 1772817365 CQQIVVXIOWWWJY-AWEZNQCLSA-N 364.445 2.952 0 50 FFAA O=C(CN1CCCCC1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 11816514 HSCAPUYLASODAS-QGZVFWFLSA-N 351.454 2.518 0 50 FFAA COC[C@H]1CCCCN1C(=O)c1cc(COc2cccc(C(C)=O)c2)[nH]n1 12437426 AFUKMKILRCLIDN-QGZVFWFLSA-N 371.437 2.832 0 50 FFAA COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccccc2)cc1 16578699 FUYPUEJCUZOXBW-QGZVFWFLSA-N 362.393 2.609 0 50 FFAA Cc1cccc(CN2CCC3(CC2)CN(Cc2ncc[nH]2)C[C@H]3C(=O)O)c1 1857681214 CJZYENYMKOTRRF-SFHVURJKSA-N 368.481 2.517 0 50 FFAA CCc1nccn1CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212398521 RJYPIAGNWDINBD-UXHICEINSA-N 363.461 2.976 0 50 FFAA O=C1c2ccccc2C(=O)N1CCCc1nc2c3ccccc3ncn2n1 225401255 NDNSVCZTMCGMCU-UHFFFAOYSA-N 357.373 2.506 0 50 FFAA CSCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)o1 248063008 WARYISZMHZJBET-CABCVRRESA-N 374.510 2.911 0 50 FFAA CCc1oc(C(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)cc1C(=O)O 375027400 NXRXWBHXWACFCG-AWEZNQCLSA-N 356.378 2.768 0 50 FFAA c1csc(-c2noc([C@@H]3COCCN3Cc3nc(C4CC4)no3)n2)c1 376001955 XSCYHLNDCZTCKE-NSHDSACASA-N 359.411 2.632 0 50 FFAA O=C(Cn1cc(Cl)cn1)N[C@@H]1CCCN(c2ccccc2Cl)C1 498917478 HDTSSTBTBZBTSD-CYBMUJFWSA-N 353.253 2.975 0 50 FFAA Cc1ncc(CNC(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)o1 854911014 KGSPWKZPNPNNFQ-YLJYHZDGSA-N 369.421 2.648 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@H]2c2nccn2Cc2ccccc2)CC1 952890743 HYVMGEADUNAOIK-MRXNPFEDSA-N 367.449 2.794 0 50 FFAA Cc1nc2ccccc2c(N2CCC([C@H](O)C(=O)NC3CC3)CC2)c1C 952846966 RXJYXFGEKUNVOH-FQEVSTJZSA-N 353.466 2.708 0 50 FFAA C[C@H](NC(=O)C(=O)N[C@H](C)c1cccnc1)c1ccc(C(F)(F)F)nc1 875003683 COCZKGJNLDENSU-MNOVXSKESA-N 366.343 2.550 0 50 FFAA C[C@@H]1c2sccc2CCN1C(=O)C[C@H](c1ccccc1)n1cnnn1 1875296111 ZNSCPZKRQFMOTO-CZUORRHYSA-N 353.451 2.860 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC1 1875365563 AQFIYLHRMXYZPJ-CYBMUJFWSA-N 350.846 2.648 0 50 FFAA COc1cccc(-n2nc(-c3ccncc3)nc2-c2cn(C)nc2OC)c1 1875348435 QMIDCDKLRYGZMW-UHFFFAOYSA-N 362.393 2.747 0 50 FFAA O=C(Nc1nccc2nc(O)[nH]c12)[C@]1(Cc2ccc(F)cc2)CCCO1 1875405552 JLJVLPHIGJNSJM-GOSISDBHSA-N 356.357 2.533 0 50 FFAA Cc1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 626134 XYEFUSIUQLPQHR-GOSISDBHSA-N 352.390 2.667 0 50 FFAA O=C(Cc1cc2ccccc2nc1O)NC[C@H]1NCCc2sccc21 2325810240 DOBQKNPNLUELAJ-MRXNPFEDSA-N 353.447 2.548 0 50 FFAA CN1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@H]1CF 2325867891 INRWOAZLSDOQAG-SECBINFHSA-N 356.161 2.953 0 50 FFAA COc1cccc(C(=O)N2CCCN(C(=O)c3cccc(OC)c3)CC2)c1 1456985 JTWVIBFQSPONSX-UHFFFAOYSA-N 368.433 2.692 0 50 FFAA CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)O1 1686824 ZHFVGOMEUGAIJX-MZBWOGCUSA-N 350.411 2.600 0 50 FFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cccc(C)c1 1774485 XECPEWZDHQTIJY-LJQANCHMSA-N 366.417 2.756 0 50 FFAA O=C(NCc1nnc2n1CCC2)c1ccc(-c2nccc3ncccc23)cc1 2356134890 HCHYENMXKINDBX-UHFFFAOYSA-N 370.416 2.765 0 50 FFAA COc1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2)no1 4943657 URNIGPOXWYOZAH-UHFFFAOYSA-N 353.378 2.783 0 50 FFAA Cc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCCCC1 6244624 GFXCMMJIYPRUTK-UHFFFAOYSA-N 359.451 2.817 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1cccc(NCc2ccc(F)cc2)c1 55061029 MZOZVIBXZBSBTM-GOSISDBHSA-N 372.396 2.754 0 50 FFAA CN(C(=O)c1ccc(I)cc1)[C@@H]1CCCC[C@H]1O 10543149 NXEWJYOJPNYPON-CHWSQXEVSA-N 359.207 2.667 0 50 FFAA COc1cccc(N2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)c1 55062611 YAHMBNGOWFHNIZ-UHFFFAOYSA-N 361.392 2.734 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)cc1 104337456 WDIIBYLVNQYYER-LJQANCHMSA-N 366.465 2.600 0 50 FFAA Cc1ncccc1O[C@H]1CCN(S(=O)(=O)Cc2noc3ccccc23)C1 328637954 WDPZSELSIWBPPR-AWEZNQCLSA-N 373.434 2.514 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccc(F)c2)n1 67601938 MTQOVHZBCUJCEU-UHFFFAOYSA-N 357.433 2.756 0 50 FFAA CCOC(=O)c1c(NC(=O)/C=C/c2cnn(C)c2)sc(C(C)=O)c1C 656721 PGLZTPOBPQFRHV-VOTSOKGWSA-N 361.423 2.821 0 50 FFAA Cc1ccc(C[C@@H](CO)CNC(=O)NCc2cccc(N(C)C)c2)cc1 252494439 NVXITYIRVYSUHF-LJQANCHMSA-N 355.482 2.711 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4ccncc4F)C3)CCC2=O)cn1 77538277 BCIFBIBMYHNAPP-HXUWFJFHSA-N 369.444 2.728 0 50 FFAA O=C(CN1CCCC1)N1CCC[C@@](Cc2cccc(Cl)c2)(C(=O)O)C1 71762056 MNNFLGXVFLBYIH-IBGZPJMESA-N 364.873 2.672 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 328625159 CUWIRZBVVWWXCV-QHAWAJNXSA-N 354.498 2.894 0 50 FFAA CN(C(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 124317317 KTTDHMSIPPIBGN-MCIONIFRSA-N 359.451 2.911 0 50 FFAA CN(C)C1(CNC(=O)c2ccn(C3CCCC3)n2)Cc2ccccc2C1 330044594 CWRPYMLQFDILIB-UHFFFAOYSA-N 352.482 2.827 0 50 FFAA CC(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)OC(C)(C)C 152889751 GVWBHLRUAAQQKR-CJNGLKHVSA-N 364.417 2.734 0 50 FFAA O=C(N[C@H](C(=O)NOCc1cccnc1)c1ccccc1)c1ccccc1 153266031 FOXWHESPZQHFII-IBGZPJMESA-N 361.401 2.801 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)cc1 72421762 SXAMWPWTBLAJOZ-UHFFFAOYSA-N 374.525 2.765 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@@H](C)n3cccn3)CC2)OC1=O 77379242 APJBVMXVNBZTNN-MRXNPFEDSA-N 362.474 2.838 0 50 FFAA COc1ccc(-c2nccn2[C@@H]2C=CS(=O)(=O)C2)cc1CN1CCCC1 72145680 CBHUSGZVLQMTOP-QGZVFWFLSA-N 373.478 2.638 0 50 FFAA Cc1cccnc1C1(CNc2cc(N3CCC[C@H](CO)C3)ncn2)CC1 366133843 KDCZHTPQBKDRSY-INIZCTEOSA-N 353.470 2.532 0 50 FFAA COc1cccc(CN2CC3(CCN(c4cnccn4)CC3)CC2=O)c1 77453136 QWPCWGDGSHGHLR-UHFFFAOYSA-N 352.438 2.504 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)C2CCOCC2)CC1 215718586 RDMDJHFUTURACB-UHFFFAOYSA-N 366.889 2.598 0 50 FFAA CCOC(=O)CNC(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 13331637 WCJHKSQLCUDPNV-UHFFFAOYSA-N 364.833 2.886 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)ccn1 333329771 CKEYSMLXPUEBOL-QGZVFWFLSA-N 372.469 2.596 0 50 FFAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 215926405 WTIDRUXZCJODEO-FQEVSTJZSA-N 363.461 2.666 0 50 FFAA CN1CCC[C@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1 215037809 WSJFHMUALAPAOV-AWEZNQCLSA-N 358.873 2.957 0 50 FFAA Cc1ncc2c(c1CNC(=O)Cc1ccccc1C(F)(F)F)CCNC2 72439215 WNEYEKPAYVYNBH-UHFFFAOYSA-N 363.383 2.913 0 50 FFAA O=C(N1CC[C@@H](OCc2ccncc2)C1)C1(c2ccccc2)CCOCC1 172252211 SQUMMGUELYMNSW-HXUWFJFHSA-N 366.461 2.948 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)NC[C@H]3CN(C)C(=O)CO3)cc2)cc1 221213044 MRUBJANVGVPXMD-FQEVSTJZSA-N 366.461 2.893 0 50 FFAA Cc1cnccc1-c1ccc(C(=O)NCC[C@H](C)N2CCN(C)CC2)cc1 426712537 ABRQVAIKBVXEFY-SFHVURJKSA-N 366.509 2.813 0 50 FFAA NC(=O)C1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1 41151081 OJJKMZCIJHDHJS-UHFFFAOYSA-N 361.449 2.944 0 50 FFAA O=C(Cc1ccc(Cl)cc1)NCCNc1cc(N2CCCC2)ncn1 82230344 BJICVKNGUCCECF-UHFFFAOYSA-N 359.861 2.501 0 50 FFAA CSCc1ccc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)o1 223860893 VOUAJDAYPWZJCQ-UHFFFAOYSA-N 373.390 2.851 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)c3onc4c3CCCC4)C2)c1 426701778 YDKMOHJSYGGQSI-AWEZNQCLSA-N 354.406 2.956 0 50 FFAA CCc1ccc(NC(=O)N[C@@H]2CN(C)S(=O)(=O)c3ccsc32)cc1 97076286 IBMPEFWCLNHQLA-CYBMUJFWSA-N 365.480 2.807 0 50 FFAA COc1cccc(F)c1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95511540 TYUXTCMKNKQJBX-OAHLLOKOSA-N 374.460 2.612 0 50 FFAA CCCN1CCC[C@@]2(CCN(C(=O)COc3ccc(F)cc3F)C2)C1=O 91656110 RATNFUABRURKJF-IBGZPJMESA-N 366.408 2.595 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccccc1-c1nccn1C 91858180 JEAFFSUCDDUNBA-UHFFFAOYSA-N 374.404 2.804 0 50 FFAA Cc1ccc(CCC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)s1 290245520 ACEPNPLNYRSWGX-OAHLLOKOSA-N 360.483 2.765 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@H]1C(=O)O 91644420 RXAAXNGLSFRBLL-DLBZAZTESA-N 353.374 2.634 0 50 FFAA Cc1nn(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c1Cl 92080669 NAADXJUPXUEVOL-JKSUJKDBSA-N 373.888 2.514 0 50 FFAA CN(Cc1cccnc1)[C@@H](C(=O)O)c1ccc(NC(=O)N2CCCC2)cc1 95358691 ISRZKCMKKCHUSF-GOSISDBHSA-N 368.437 2.967 0 50 FFAA O=S1(=O)CC[C@H](Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1 96165259 BIVVHTWBXAQWJK-MRXNPFEDSA-N 371.462 2.758 0 50 FFAA CCCc1cc(C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)O)n(C)n1 95391622 ZJMBHMSMMGFEOG-SFHVURJKSA-N 366.421 2.506 0 50 FFAA CCCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91680866 GNHLXBPPWZFDAR-KRWDZBQOSA-N 373.497 2.628 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)c(C)c1 239173931 OXYVJYPQGBZNLG-IPJCAIGPSA-N 364.445 2.667 0 50 FFAA O=C(NCCCn1nnc2ccccc21)c1cc(-c2ccc(F)cc2)n[nH]1 91536302 FKDFONCOTYAKOQ-UHFFFAOYSA-N 364.384 2.781 0 50 FFAA CSCc1noc(CN2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)n1 95364155 QTHRPPLIKMXQLD-UHFFFAOYSA-N 364.515 2.713 0 50 FFAA N[C@H]1C[C@@H](c2cc(N3CCN(c4nc5ccccc5s4)CC3)ncn2)C1 244748465 OHYHAGOVRWXVHJ-OKILXGFUSA-N 366.494 2.618 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ncc(C)s3)CC2)c1 180414239 PQBJXLBBQUZLDC-UHFFFAOYSA-N 365.524 2.575 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@@]2(CCCO2)[C@@]12CCCO2 257358160 RZAWMJIEWNGUAL-YVJBSZDSSA-N 365.429 2.706 0 50 FFAA O=C(c1ccc(Cl)c(F)c1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940196681 ZLGBKOZTJSIWOW-RHSMWYFYSA-N 355.793 2.557 0 50 FFAA COC(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)nn1CC(C)(C)O 824156052 URJHGHYGTOWLTQ-SNVBAGLBSA-N 352.822 2.786 0 50 FFAA CN(CC1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 584887767 WTKYAAWQKWAEDW-GOSISDBHSA-N 363.477 2.858 0 50 FFAA COc1ccc(Br)cc1CNC(=O)N[C@H](C)c1noc(C)n1 1346168658 NQBKMAUYUXLUCH-MRVPVSSYSA-N 369.219 2.710 0 50 FFAA CC(C)c1ccc(C(=O)OC[C@]2(c3ccccc3)CNC(=O)C2)c(O)n1 1348598847 XYTVZAOWVUCHNB-HXUWFJFHSA-N 354.406 2.525 0 50 FFAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)CCCn1cncn1 952991237 VHHAFQQGCAESQD-OAHLLOKOSA-N 355.442 2.712 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCCN1CCCCC1=O 952976027 UGGOCQCSHKGXFX-UHFFFAOYSA-N 371.481 2.962 0 50 FFAA Cc1nc2cc(CNCc3cnc(NC[C@H]4CCCO4)nc3)ccc2n1C 952974423 IQTGCDFHRRHGRV-QGZVFWFLSA-N 366.469 2.552 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)NCCCc2nnc3ccccn23)c1 952964566 OBSKWPNWEPODEQ-UHFFFAOYSA-N 365.437 2.686 0 50 FFAA Cc1ccc(Br)c(C(=O)Nc2ccccc2-c2nn[nH]n2)n1 1454407502 KYRDAPRIVGGNNQ-UHFFFAOYSA-N 359.187 2.585 0 50 FFAA CN1CC[C@@](C)(CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)C1 952979718 RHMNLPKAZLHPAF-CQSZACIVSA-N 350.406 2.668 0 50 FFAA COc1ccccc1C1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 952873228 XKQZLVIURCNGOS-UHFFFAOYSA-N 363.417 2.723 0 50 FFAA C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCN(C(=O)c2ccccc2)C1 184606546 FNWNRSVNTJJMJP-HXUWFJFHSA-N 367.453 2.953 0 50 FFAA Cc1cc(C)cc([C@@H]2CCN(S(=O)(=O)c3c(Cl)cnn3C)C2)c1 408381893 ANBGTSHDJLSXNG-CYBMUJFWSA-N 353.875 2.869 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)O 185317185 NKEILEYWIPSLQD-RKVPGOIHSA-N 362.470 2.525 0 50 FFAA C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(N2CCCS2(=O)=O)cc1 185834351 ZMLSUUSYUUDZHP-LLVKDONJSA-N 367.858 2.699 0 50 FFAA CCN1C[C@@H](c2nc(-c3cc(Br)ccc3OC)no2)CC1=O 273999237 UPRLRITZNJEVMM-VIFPVBQESA-N 366.215 2.844 0 50 FFAA CC(C)(C)OC(=O)N[C@H](Cc1nc(Cn2cncn2)no1)c1ccccc1 274071105 UAEWLIBQLNNXNT-CQSZACIVSA-N 370.413 2.518 0 50 FFAA CC[C@]1(CO)CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1 187162147 IHPJMFXYJWIIGS-FQEVSTJZSA-N 356.470 2.779 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@]1(CO)CC(C)C 191480514 DFQQZXAHMHZQNP-GOSISDBHSA-N 360.483 2.922 0 50 FFAA Cc1ccc([C@H](C)NC(=O)CN2CCCN(C(=O)c3ccoc3)CC2)cc1 1506402366 QSSQRLOALDVZGO-KRWDZBQOSA-N 369.465 2.613 0 50 FFAA CCc1nc(C)c(C(=O)N2CCCN(Cc3ccc4c(c3)CCO4)CC2)o1 1529173078 MEFVRKHFESEJTN-UHFFFAOYSA-N 369.465 2.828 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(Cc2cncs2)CC1 1529181306 RBTMWVFTUUVRIG-UHFFFAOYSA-N 357.479 2.816 0 50 FFAA CCc1cc(NCc2noc([C@H]3CCCO3)n2)nc(N2CCCCC2)n1 1704354240 YDFPPJHWJLPQOE-CQSZACIVSA-N 358.446 2.876 0 50 FFAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775979761 YMPZQRMEHSTRHO-NRFANRHFSA-N 361.449 2.930 0 50 FFAA CN1CCC[C@H](C(=O)N2CCCN(c3ccnc4ccccc34)CC2)C1 1772819611 XCIWUNMVWCPRSK-KRWDZBQOSA-N 352.482 2.615 0 50 FFAA CN(Cc1cccnc1)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 12307906 AYHORXQUQFSYTN-LJQANCHMSA-N 367.497 2.717 0 50 FFAA COCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 12581713 JAWOJAMBDZDXML-OAQYLSRUSA-N 358.482 2.798 0 50 FFAA CC[C@H](COC)NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 12707552 NXWWWAQVVYLFLW-CQSZACIVSA-N 356.426 2.616 0 50 FFAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 14749638 LOWKRRYIBZIHHG-UHFFFAOYSA-N 358.467 2.545 0 50 FFAA COc1ccc(CNC(=O)c2cn(Cc3ccccc3Cl)nn2)cc1 14950568 OLDZLGSCRLXFGW-UHFFFAOYSA-N 356.813 2.918 0 50 FFAA CC(C)OCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15065789 PAZLUJJWEKQTCN-MRXNPFEDSA-N 366.889 2.662 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)c1 15070297 HRTXGMCNYTVSDK-INIZCTEOSA-N 364.461 2.685 0 50 FFAA CSc1cccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)c1 169760059 OCUFZKKIAPYMMT-UHFFFAOYSA-N 368.462 2.735 0 50 FFAA Cc1nccn1CC[C@@H](NC(=O)c1nc(Cl)n(C)n1)c1ccccc1 1857690841 NXRPYJRILXQMNV-CQSZACIVSA-N 358.833 2.535 0 50 FFAA CC(C)=CCN1CCC2(CC1)CN(C(=O)Cc1ccccc1)C[C@H]2C(=O)O 1857693088 HOLVJPINUFCUSE-IBGZPJMESA-N 370.493 2.821 0 50 FFAA CCCCCc1nc(-c2cccc(N3CCCC3=O)c2)n(CC(=O)O)n1 1857714520 WUWNBOHHFSZHCW-UHFFFAOYSA-N 356.426 2.889 0 50 FFAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 237428108 SVYQSNJWQFIFPF-UWVGGRQHSA-N 354.369 2.592 0 50 FFAA Cc1ccsc1CN1CCC[C@H](n2cc(C(=O)NCC(C)C)nn2)C1 12155673 QPSAYINMRVADFG-HNNXBMFYSA-N 361.515 2.871 0 50 FFAA CC(C)n1ncc2cc(C(=O)NC[C@@H](C(=O)O)c3ccccc3)cnc21 262463361 IRDUIMFTALBYPR-MRXNPFEDSA-N 352.394 2.610 0 50 FFAA CNc1cc(N2CCC[C@@H]2CNc2cccc(Br)n2)ncn1 809352953 KGYNTBBVTOAKSZ-LLVKDONJSA-N 363.263 2.757 0 50 FFAA O=C(C=C1CCC1)N[C@H]1CCC[C@H]1Cn1cc(C2(O)CCCCC2)nn1 952890094 RWUQWHGLQHHNAN-IRXDYDNUSA-N 358.486 2.825 0 50 FFAA CO[C@@]1(CO)CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 1875299771 VIRQGBZBXDZKPA-INIZCTEOSA-N 355.360 2.679 0 50 FFAA COC(=O)/C=C/CNC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1 1875312154 USNBQTWUSMQEMX-NSCUHMNNSA-N 372.248 2.887 0 50 FFAA CO[C@H]1Cc2ccccc2N(C(=O)c2cc(Cn3cccn3)on2)[C@H]1C 886084629 RVMJIEWOMGUDAU-UGSOOPFHSA-N 352.394 2.526 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C)s1)OCO2 902354 KHTCIJIPWGMLEV-UHFFFAOYSA-N 351.409 2.509 0 50 FFAA O=C(NCCNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1 2325700446 OCDGKKNINODZSG-UHFFFAOYSA-N 350.426 2.534 0 50 FFAA CC(C)(C)c1ccc([C@H]2CNCCN2C(=O)c2ccn3nccc3n2)cc1 2325857982 WTKDLISXVWNMKW-GOSISDBHSA-N 363.465 2.814 0 50 FFAA Cc1c(C(=O)OCc2coc(C3CC3)n2)sc2nc3n(c(=O)c12)CCC3 869317649 BUQSATGHFGVFNE-UHFFFAOYSA-N 371.418 2.935 0 50 FFAA CC[C@](CNCc1c[nH]nc1-c1cccnc1)(C(=O)O)c1ccccc1 901901171 PPGZFMKRMKNJHR-HXUWFJFHSA-N 350.422 2.994 0 50 FFAA COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 662118 ZQHZIUSVRPMQQI-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 670753 AHLCBUQKOJFUBK-UHFFFAOYSA-N 362.451 2.735 0 50 FFAA O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCOCC1 815229 OJTAENFZDSBKNM-UHFFFAOYSA-N 358.348 2.806 0 50 FFAA O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1057407 MMBHLMFJROZIDS-CQSZACIVSA-N 362.426 2.865 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NC[C@H](CCC(=O)O)C(F)(F)F)c(C)c1 1802377 NXVBIDWCYZNJET-LBPRGKRZSA-N 367.389 2.933 0 50 FFAA CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccncc1 4511419 XXZQRZDSHYUWLH-UHFFFAOYSA-N 355.423 2.796 0 50 FFAA O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 4833553 RVEBSWGAEROPSE-LJQANCHMSA-N 373.474 2.710 0 50 FFAA CC1=C[C@H](c2ccccc2)n2nc(N3C(=O)c4ccccc4C3=O)nc2N1 100817271 YSDOEPZSVXKKRS-MRXNPFEDSA-N 357.373 2.997 0 50 FFAA COCc1ncc(CN2CCc3onc(-c4cccc(OC)c4)c3C2)cn1 67966958 IFWSMDWRHSLKEJ-UHFFFAOYSA-N 366.421 2.845 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@]2(CCCNC2)C1 66323455 ZJJGLQVTFKLEIK-GOSISDBHSA-N 355.479 2.596 0 50 FFAA Cc1noc(C)c1CN1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 67869200 FNHOPTWOBSEQHC-UHFFFAOYSA-N 353.426 2.545 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NCC2(O)CCCCC2)no1 67819918 ZFIBPRFUEFHFRL-UHFFFAOYSA-N 357.454 2.732 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)cc(=O)[nH]1 23506973 BJBARQRBMAAKQX-ZDUSSCGKSA-N 372.856 2.635 0 50 FFAA O=C(c1scc2c1OCCO2)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65385185 QSEMVVPQVIARFM-UONOGXRCSA-N 363.410 2.649 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1Cc2cnc(CC)nc2C1 67723133 RLXCPIMRNRKMFH-CVEARBPZSA-N 358.486 2.604 0 50 FFAA O=C(NCC[C@@H]1CCOC1)c1cc(COc2c(F)cccc2F)on1 67820358 XZWOYDHJXNWZGE-LLVKDONJSA-N 352.337 2.688 0 50 FFAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)CCc2ccc(C)o2)c(C)[nH]1 252539440 NZEWUDNBERPQMZ-HXUWFJFHSA-N 373.497 2.825 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1-n1cnnn1 120391762 KUWFTLILIJROCW-MRXNPFEDSA-N 363.421 2.823 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](NCc2nc3cc(Cl)ccc3n2C)CCO1 328625733 DLPDCCDLROXJNM-SUMWQHHRSA-N 359.861 2.970 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)Cn2ccc3ccccc32)o1 328613993 UUNHYNSEMVSYHT-MRXNPFEDSA-N 354.410 2.748 0 50 FFAA CCCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71754752 NTVQJYUVTSKPHM-LJQANCHMSA-N 358.530 2.626 0 50 FFAA CC(C)C[C@@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 72153999 MSRWIJPSWLGOFA-GOSISDBHSA-N 368.481 2.501 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1C[C@H]2CCCCN2c2ccccc21 329307495 PPZIXLCPJBHKLZ-HZPDHXFCSA-N 362.495 2.607 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)NCc1coc(-c2ccccc2)n1 363286461 KBJDPXRAPNTHTJ-UHFFFAOYSA-N 374.404 2.922 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(Cc3ccccn3)CC(C)C)cnc21 77380102 DCDSALGFZNOTHQ-UHFFFAOYSA-N 352.442 2.727 0 50 FFAA COc1cccc2c1OCCCN(C(=O)c1n[nH]c3c1C[C@@H](C)CC3)C2 216211560 PKQPNGBOYTYOLZ-ZDUSSCGKSA-N 355.438 2.968 0 50 FFAA CC(C)(C)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71479513 ULKGLQNVVWTVNG-LJQANCHMSA-N 372.557 2.920 0 50 FFAA COc1ccccc1N1CC[C@H](Nc2nccn3c(C(C)C)nnc23)C1 489654055 AGITUMKYNJLURW-AWEZNQCLSA-N 352.442 2.947 0 50 FFAA Cc1ncc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3F)C2)s1 369542787 XOUGFDYZEKYNDF-AWEZNQCLSA-N 370.471 2.961 0 50 FFAA O=C1OC2(CCN(CC[C@@H]3CCOC3)CC2)CN1CCc1ccccc1 77438416 PNJZZLREHBAUSB-LJQANCHMSA-N 358.482 2.943 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2CCn2cccn2)c1 77539723 OFFQRGMWEPJPFK-QGZVFWFLSA-N 357.454 2.914 0 50 FFAA NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(C(=O)O)cc2)c1 262349647 YQUHXROCJHEPHZ-UHFFFAOYSA-N 367.405 2.726 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1CCCc2c(F)c(F)cc(F)c21 333330822 OGPJRAXOUOAFIQ-SNVBAGLBSA-N 361.385 2.598 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)c1ccc(-c2nnn(C)n2)cc1 215306119 RFAVKAHUJSQMOL-UHFFFAOYSA-N 360.421 2.604 0 50 FFAA COc1cccc([C@H](O)C(=O)N2CCC3(CC2)OCc2ccccc23)c1 378319954 WYBHSGCUECJWNW-IBGZPJMESA-N 353.418 2.777 0 50 FFAA Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc(C)n(-c2ccccc2)n1 131010900 LKYXBORWNBAOAB-UHFFFAOYSA-N 352.369 2.979 0 50 FFAA CN(c1cccc2ncccc12)S(=O)(=O)c1cnn(C2CCOCC2)c1 131608353 GKJVOKNXJDWNSQ-UHFFFAOYSA-N 372.450 2.608 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@H]1c1cccn1C)C2=O 173571369 IUUGHKDYJSPKSM-SFHVURJKSA-N 365.433 2.683 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)NCC3(COC)CCCC3)c2)n1 426518788 MFVFLBIZEZITDS-UHFFFAOYSA-N 358.446 2.688 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)Cn2ccc(-c3ccccn3)n2)o1 48488810 RFECZGVQOBLQKQ-UHFFFAOYSA-N 362.393 2.730 0 50 FFAA CC(C)(C(=O)N[C@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2 194941379 QNEMWXYCUHWVSW-MRXNPFEDSA-N 353.418 2.855 0 50 FFAA COc1ccc(F)cc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82126231 YQKVAZHBOMUCDV-UHFFFAOYSA-N 374.460 2.823 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCN(c2nsc3ccccc23)CC1 223767449 ROZFUKLEDAIYEQ-UHFFFAOYSA-N 360.389 2.932 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](C)c2nc(-c3cccnc3)no2)n(C)n1 82087677 UGIOCWXDWXXPJM-GFCCVEGCSA-N 354.414 2.555 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1 82147241 DLFLSTCOCHUJEU-LJQANCHMSA-N 369.465 2.741 0 50 FFAA O=C(CN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1)NC1CC1 426379661 JJJKDTVHHXJGBP-HXUWFJFHSA-N 363.452 2.531 0 50 FFAA CCc1nccn1CC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96151364 QCXJFOGAXMOCIA-UHFFFAOYSA-N 371.391 2.699 0 50 FFAA CN1CC2(CCN(C(=O)c3cccn3C)CC2)C[C@@H](c2ccccc2)C1=O 95362527 DSIGIOVIHJRXTG-SFHVURJKSA-N 365.477 2.893 0 50 FFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cc(=O)[nH]c2ccccc12 92107304 PRRMPVVOVQBKGE-LJQANCHMSA-N 358.401 2.896 0 50 FFAA CCn1ccnc1C1CCN(C(=O)[C@H]2COc3c(cccc3OC)C2)CC1 91858542 NBRBEVMDBGDRBD-QGZVFWFLSA-N 369.465 2.869 0 50 FFAA O=C1CC2(CCN(C3CCNCC3)CC2)CN1Cc1cc(F)cc(F)c1 91988239 FBXJVRAQRWITDZ-UHFFFAOYSA-N 363.452 2.531 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@@H](n4nc(C)cc4C)C3)c2c1 91459592 FMOVGNKTZAGVLT-MRXNPFEDSA-N 368.437 2.580 0 50 FFAA O=C(CCCc1cn[nH]c1)NC1CCN(Cc2cc(F)cc(F)c2)CC1 96138825 WTEUSNHNENPDBP-UHFFFAOYSA-N 362.424 2.791 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)c1cnc(-c2ccncc2)nc1 95375324 IPYYTRUZQWNXDJ-UHFFFAOYSA-N 370.416 2.963 0 50 FFAA O=C1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCC2)O1 97475633 FKFOFRLTTWKONR-GOSISDBHSA-N 356.466 2.643 0 50 FFAA COCCCN1CC2(CCN(C(=O)CCCc3ccccc3)CC2)CC1=O 95374835 KYWZCFNMJGRRDO-UHFFFAOYSA-N 372.509 2.887 0 50 FFAA CCc1noc(-c2ccccc2NC(=O)N2CCC(n3cnnc3)CC2)n1 97694783 WGQKWNAWZXIRNZ-UHFFFAOYSA-N 367.413 2.760 0 50 FFAA CN(CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1)Cc1ccc(F)cc1 91637128 CFOYXAHIVOGGQR-FQEVSTJZSA-N 370.468 2.841 0 50 FFAA CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 91416864 AJAPSIJWNOGXTI-UHFFFAOYSA-N 371.525 2.655 0 50 FFAA CC(=O)N[C@@H](C)c1nc(C2CCOCC2)nn1-c1ccc2c(c1)CCC2 96151157 ZCANEYGTSJEUQE-ZDUSSCGKSA-N 354.454 2.847 0 50 FFAA O=C(Nc1ccc(-c2ccc(C(=O)N3CCOCC3)o2)cc1)NC1CC1 96166695 ITHUUWCYESGETJ-UHFFFAOYSA-N 355.394 2.703 0 50 FFAA COc1ccccc1Cc1nc(-c2ccnn2C)n(C2CCN(C)CC2)n1 95511887 KDKYXSFSOLBJIP-UHFFFAOYSA-N 366.469 2.545 0 50 FFAA Cc1nn(CC(=O)N[C@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)cc1Cl 244673894 HXPUVFCOKUTOME-BFCNOCSMSA-N 369.799 2.752 0 50 FFAA CN1C[C@]2(CCCN(Cc3ccc4c5c(cccc35)C(=O)OC4)C2)OC1=O 244794837 QUXIOHCEUPMTKU-NRFANRHFSA-N 366.417 2.927 0 50 FFAA O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@H](c2cccc(O)c2)C1 179318734 LUAKVMLSVVJYPE-HNNXBMFYSA-N 364.348 2.645 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 526056000 QEWDHUROGRRNBG-INIZCTEOSA-N 364.442 2.764 0 50 FFAA CC(C)Oc1ccccc1OCCN1CCCN(C)C2(CCNCC2)C1 244734736 NKZMELZSBCEMAE-UHFFFAOYSA-N 361.530 2.612 0 50 FFAA Cc1cc[nH]c1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 299740189 WSONOZPVURDCDY-GXTWGEPZSA-N 350.216 2.741 0 50 FFAA Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCOC[C@@H]1C(=O)O 299750560 NWOAEPNMAPIYFA-GFCCVEGCSA-N 366.826 2.698 0 50 FFAA COc1ccc(C[C@H](C)C(=O)NCc2nnc(C3CCC3)n2C)cc1F 184254121 GNWMIPMSNLTCQH-LBPRGKRZSA-N 360.433 2.725 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCCc2noc(C(C)C)n2)c(C)c1 299797730 OBOUIJUCNQEGKZ-UHFFFAOYSA-N 359.430 2.615 0 50 FFAA Cc1cc(C)c(NC(=O)N(CCC(N)=O)CCc2ccccc2)c(C)n1 299758843 QVJIGRKMFMWFQB-UHFFFAOYSA-N 354.454 2.959 0 50 FFAA C[C@H](NC(=O)c1c2c(nn1C)CCCC2)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670468143 CDHAIWBDPZSADR-AHQQAOBSSA-N 357.498 2.749 0 50 FFAA C[C@H]1CN(C(=O)Cc2csc(COc3ccccc3)n2)CC[C@@H]1CN 1341879738 SYZZLZJIYNMBIN-LSDHHAIUSA-N 359.495 2.708 0 50 FFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)c1nc(N)nc2c1CCCC2 952987420 JMHGZRPOMMUKTQ-UHFFFAOYSA-N 362.437 2.600 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cn2C)cc1OC 952988113 NKYGPLYCUDWAJQ-UHFFFAOYSA-N 351.790 2.524 0 50 FFAA COc1ccccc1CCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565528765 DBAUXAXMCHGKQA-APWZRJJASA-N 370.493 2.877 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)cc1 278481021 APXZLWATMAERRF-DNVCBOLYSA-N 372.490 2.802 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N(C)C)CC1 1506398787 UKMUMUXJISUFKX-CYBMUJFWSA-N 369.512 2.816 0 50 FFAA COc1cccc(C(=O)N2CCC(C(=O)Nc3cnn(C(C)C)c3)CC2)c1 1506419433 PQTWMZQUTQYUKN-UHFFFAOYSA-N 370.453 2.964 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 1506421336 OPZANWATKFCODE-UHFFFAOYSA-N 367.453 2.529 0 50 FFAA COCCN(Cc1cccnc1)S(=O)(=O)Cc1ccc(Cl)cc1F 1506430241 YEVPXNWDJMJEPP-UHFFFAOYSA-N 372.849 2.853 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnc(-c4cccs4)nc3)C[C@@H]2O)on1 1529159582 SQEQZEDVAUURHU-ZBFHGGJFSA-N 356.451 2.537 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@H]2O)n[nH]1 1529114282 OVAZNNNQKAXXHK-CZUORRHYSA-N 355.360 2.652 0 50 FFAA Cc1cc(C(=O)Nc2c(N3CCCC3)nn(C)c2C)c2c(C)noc2n1 1529144048 FITBWKMWPHCPNS-UHFFFAOYSA-N 354.414 2.734 0 50 FFAA COc1ccnc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)c1 1704298761 NDOLJGOITAMOCO-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA Cc1cc(C(N)=O)c(NCc2ccccc2CN2CCCC2=O)nc1C 1704299014 LRIXJIMORZPPDN-UHFFFAOYSA-N 352.438 2.532 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704352033 WBXIWWJPZOPVPB-OXQOHEQNSA-N 374.444 2.578 0 50 FFAA Cc1ccc([C@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@@H]2N(C)C)cc1 213237749 RJEONGRQBFDZSL-UXHICEINSA-N 358.507 2.854 0 50 FFAA O=C1CN(C2CCN(c3ccc(F)cc3)CC2)C[C@H](Cc2ccccc2)N1 1772706875 NSMLHATUQGXBRA-IBGZPJMESA-N 367.468 2.838 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 12055474 APIWMMGAWHVZPK-LLVKDONJSA-N 352.337 2.783 0 50 FFAA COc1cccc(C(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1 169781424 NWJLJNISLZJUQR-UHFFFAOYSA-N 359.389 2.730 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(c2ncc(Cl)cn2)C1 1857668417 MCJUBYFWXDTRIZ-GOSISDBHSA-N 357.845 2.987 0 50 FFAA COc1ccc(N2CCN(C(=O)c3cnoc3-c3ccccc3)CC2)cn1 1857673450 IXGNRXSQURKAJO-UHFFFAOYSA-N 364.405 2.708 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3C[C@H](C(=O)O)C4(CCOCC4)C3)c2)n1 1857687554 YKJFONRXBNNCAU-LJQANCHMSA-N 369.465 2.802 0 50 FFAA CCC(CC)C(=O)NC[C@H]1[C@H]2CN(Cc3c(C)n[nH]c3C)C[C@]23CC[C@H]1O3 1857719309 JMKFQICGWASFHW-HKJQZYRSSA-N 374.529 2.558 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4cccc(C)c4[nH]3)CC2)C[C@H]1N 1857727634 VWSCIJHYXHKGIL-LZLYRXPVSA-N 370.497 2.720 0 50 FFAA O[C@@]1(Cn2ccnc2-c2ccc(OCCc3ccccc3)cc2)CCNC1 1857733481 MAAMWDCMLBFSHT-QFIPXVFZSA-N 363.461 2.896 0 50 FFAA Cc1nn(CC(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]2C)c(C)c1Cl 408114951 GVFXOHCRIXZMNF-RYUDHWBXSA-N 368.909 2.647 0 50 FFAA CNC1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 237082482 UXIXWFGPCLKQER-LBPRGKRZSA-N 355.276 2.735 0 50 FFAA N[C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 237924696 IMPCRKADTMWIAI-GFCCVEGCSA-N 362.227 2.810 0 50 FFAA Cc1nccn1CCCN(C)C(=O)c1ccc2c(c1)nc(O)n2CC1CC1 935013419 UJAKAUBXYHBBQO-UHFFFAOYSA-N 367.453 2.819 0 50 FFAA COCC[C@H]1COCCN1c1nc(-c2ccccn2)nc2sccc12 858551825 AFXLPKUYOZQTCL-ZDUSSCGKSA-N 356.451 2.995 0 50 FFAA CCOc1ccc(CNC(=O)NCc2nc(C)c3ccccc3n2)cn1 1875276922 NOJVHJVEDCCQMN-UHFFFAOYSA-N 351.410 2.731 0 50 FFAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2nc3cnccc3s2)C1 1875395303 AEIHKKZRPHPKQY-VOIUYBSRSA-N 364.496 2.558 0 50 FFAA CS(=O)(=O)NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 1875390166 JXEBDPDZYHPWHT-CQSZACIVSA-N 357.790 2.675 0 50 FFAA CC[C@@H](C)NC1(C(=O)NCCN(C)C2CCCC2)Cc2ccccc2C1 1875349452 XMYHBGPWORTJCG-QGZVFWFLSA-N 357.542 2.903 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)c2ccnn2C(C)(C)C)c(F)c1 1875386581 UNWZOKQBBXRCKB-UHFFFAOYSA-N 358.417 2.509 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)N1CCCc2ccccc21 1875398719 CASUPRTYEQQENN-MZMPZRCHSA-N 374.872 2.838 0 50 FFAA CC(C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 888102376 RBHTWUFCMHHBFG-IUODEOHRSA-N 352.456 2.613 0 50 FFAA CC1(C)C[C@H](Nc2nc(-c3cccnc3)nc3c2CCC3)CCS1(=O)=O 896997859 FVBBDYFDUYRTNW-CQSZACIVSA-N 372.494 2.795 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CO[C@@H](Cn4cccn4)C3)cc2)c1C 2325784946 VSPSYGYTOYEFKM-QFBILLFUSA-N 365.437 2.729 0 50 FFAA C/C(=C\C(=O)N1CCC[C@H](n2ccc(O)nc2=O)C1)c1ccccc1C 2325792683 DKDRSNDGQHUTKL-STTHAQSSSA-N 353.422 2.524 0 50 FFAA C[S@](=O)(=NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)[C@H]1CC[C@H](O)C1 2325803455 HUPSMEZAEXTWJS-VJXDDXKRSA-N 365.499 2.590 0 50 FFAA O=C(NC[C@H]1CCCN1C(=O)c1ccc2cccnc2c1)c1ccncc1 2325870679 KIHQUJOMSLSSCL-GOSISDBHSA-N 360.417 2.664 0 50 FFAA Cc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 2325870759 NNVJHXRUWYMLJT-QGZVFWFLSA-N 360.417 2.583 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C1 2325889340 LIVOTNAVXZKRST-CYBMUJFWSA-N 358.829 2.889 0 50 FFAA CN1CC[C@@H](C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)CC1=O 151627546 IONNSTSOOYYBMD-MSOLQXFVSA-N 356.466 2.899 0 50 FFAA CN(c1cccc(NC(=O)COc2ccc(Cl)cc2)c1)S(C)(=O)=O 1148773 RGYLQNWUKUXJFZ-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COc1c(C)cnc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1C 2356142643 AWQRFTIPFLMUGV-YLJYHZDGSA-N 364.486 2.781 0 50 FFAA O[C@@H](CNC1CCCC1)COCCOc1ccc(Br)cc1 3105161 HXKPHRBXPODOET-HNNXBMFYSA-N 358.276 2.738 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1 4712195 IFVMYAUNAFDYBR-UHFFFAOYSA-N 370.405 2.571 0 50 FFAA O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1ccccc1Br 4978274 ZKHOKALYEIGHCA-ZDUSSCGKSA-N 367.199 2.614 0 50 FFAA O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccccc2F)CC1 6709654 NQNFLDKZTDETHI-INIZCTEOSA-N 367.424 2.527 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6727044 BEYAEIJMMUGRIU-VHZYLWGESA-N 374.456 2.607 0 50 FFAA C[C@@H](OC(=O)[C@H]1SCCc2ccccc21)C(=O)NCCc1ccncc1 225857721 HCCKDICDOOCFBS-KDOFPFPSSA-N 370.474 2.703 0 50 FFAA C[C@@H](CO)CCNC(=O)c1cc(COc2cccc3cccnc23)on1 67490881 JNAMCLOQUFDSKH-CYBMUJFWSA-N 355.394 2.550 0 50 FFAA O=C(CCc1cc(O)no1)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 67879713 LWPRDRXGPALDBU-INIZCTEOSA-N 364.405 2.786 0 50 FFAA COCC[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 67713463 FNZDPTCTBWWYSF-GOSISDBHSA-N 352.438 2.634 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(Cc4ccccn4)C[C@@H]32)cc1 63857526 HFBHPTNUYZVHJA-VQTJNVASSA-N 367.449 2.728 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 123503294 KAUCDYGCBFUBLB-GJZGRUSLSA-N 353.344 2.870 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)[C@@]3(C)CCCCO3)CC2)OC1=O 77357789 NBJUNSMKJPSYKW-GOSISDBHSA-N 352.475 2.805 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)Cc1csc(C)n1 72428135 NXCLGDWHLVOJTF-UHFFFAOYSA-N 358.467 2.970 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)CCc2ccccn2)[C@@H]1c1cnn(C)c1 328631249 QRIQOTJPFLKYJO-LAUBAEHRSA-N 369.513 2.679 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)CSc1nncn1C 72419984 RLNOPZBBMIGLLH-UHFFFAOYSA-N 359.480 2.689 0 50 FFAA CCC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 455542917 NSMRHDFRTKLKPO-CVEARBPZSA-N 367.515 2.740 0 50 FFAA CCCN(C(=O)[C@@H]1CO[C@@H](C)C1)C1CCN(c2cc(C)nc(C)n2)CC1 332134992 LUEFOBCWYMOHHT-RDJZCZTQSA-N 360.502 2.726 0 50 FFAA CN[C@H](C(=O)N1CCc2cc(-c3ccccc3)oc2C1)c1cnn(C)c1 367647826 CMXDDEPAXXKMRO-IBGZPJMESA-N 350.422 2.526 0 50 FFAA CCOC(=O)CCNC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C 13331485 BFHHDHRLZYIOJN-UHFFFAOYSA-N 358.442 2.931 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(C(F)(F)F)n1C 239302621 FMQMXAVVJOLGSI-KXUCPTDWSA-N 350.410 2.867 0 50 FFAA O=C1C[C@]2(CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)C2)Oc2ccccc21 334027962 ITLTXIRBOOXPQV-GXLIZGDTSA-N 370.449 2.764 0 50 FFAA C[C@@H](c1ccccc1)c1nccn1CCc1ccc(S(N)(=O)=O)cc1 71763761 LJFGGMHSPUWREW-HNNXBMFYSA-N 355.463 2.925 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)n1 72147359 ZDZFETLNZCDDNK-ZDUSSCGKSA-N 364.396 2.552 0 50 FFAA Cc1nc2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)cn2n1 280762837 MDMVGHMLWOAFJJ-QGZVFWFLSA-N 352.394 2.848 0 50 FFAA CC(=O)N1C[C@H](C)CN(Cc2ccc(C(=O)N(C)C)[nH]2)c2ccccc21 377840564 SYPXUIAWOSFGFU-CQSZACIVSA-N 354.454 2.726 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)NCC1CCCCC1 220030706 SHPXIGPXSGNHIT-MSOLQXFVSA-N 365.474 2.845 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)c1cccc(F)c1F 284803615 AQUNXFFTAYUHDV-UETVFIHBSA-N 368.424 2.987 0 50 FFAA CCCn1nccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 82107658 BKHPFEGIBQYZHH-UHFFFAOYSA-N 352.482 2.608 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CSCC2CC2)C3)cn1 220144635 LOGFAZUXVBLCCE-UHFFFAOYSA-N 358.467 2.508 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2ccc(-c3cccc(OC)c3)o2)[C@@H]2CCO[C@@H]21 220587808 YTPUQRUPAXPXBC-LNMJFAINSA-N 357.406 2.735 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H](C)c1nnc(C(C)C)o1 426615218 WKZTYYXJJUCQBQ-GFCCVEGCSA-N 352.398 2.844 0 50 FFAA O=C(CCSCc1ccc(F)cc1)N1CCC(N2CCOCC2)CC1 221350502 VLIHOIJGVCNURA-UHFFFAOYSA-N 366.502 2.772 0 50 FFAA C[C@@H](CCN1CCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1 82108200 CDIYOWOBIWCXMD-INIZCTEOSA-N 355.486 2.664 0 50 FFAA CC1(C)CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CCN1 175436271 BCZLJKFFZIUQCZ-UHFFFAOYSA-N 369.387 2.656 0 50 FFAA CCSCC(=O)N1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 426544901 OIVXWELSZVXKFH-RVKKMQEKSA-N 350.484 2.752 0 50 FFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCc2sccc21 292161498 CUJMNVKTCUFUHX-GZBFAFLISA-N 356.513 2.781 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cnc2ccccc2n1 177128708 NKYAXNLFTKJHGP-QGZVFWFLSA-N 374.444 2.593 0 50 FFAA CC[C@]1(C(N)=O)CCCN(C(=O)c2ccc(-c3ccccc3CO)cc2)C1 426581042 VEMAHEZTBRKTJO-QFIPXVFZSA-N 366.461 2.964 0 50 FFAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@@H]23)[C@H]1C(=O)OCC(=O)c1ccccc1 239425941 VMTVUERGNJQNRB-UPHDCGPKSA-N 354.402 2.660 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1csc(N2CCCC2)n1 97475611 BUJVHLQZSSAPBA-UHFFFAOYSA-N 359.499 2.594 0 50 FFAA CCn1nc(-c2csc(C)n2)nc1C[C@H](N)c1ccc(OC)c(OC)c1 96163687 MPCRYCAYPCCIRM-ZDUSSCGKSA-N 373.482 2.990 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CC(Oc3ccccc3F)C1)C2 92037161 YDYQKQOARRTSIB-CQSZACIVSA-N 357.381 2.675 0 50 FFAA O=C(NCCOCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 91416784 QMCGYJKAICGQNK-OAHLLOKOSA-N 364.873 2.764 0 50 FFAA Cn1cnnc1CCNC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 95508228 CJOAMTURQRXNAL-UHFFFAOYSA-N 365.368 2.735 0 50 FFAA O=S(=O)(NC[C@H]1CCOc2ccccc2C1)c1ccc(-c2ccn[nH]2)o1 97527345 KZGJCEKXILJYKW-ZDUSSCGKSA-N 373.434 2.589 0 50 FFAA COc1ccc(NC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(OC)n1 96132393 VDTVPPQPMXNQMB-OAHLLOKOSA-N 372.425 2.707 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(Cc1cc(C(C)(C)C)[nH]n1)C2 95362734 FMOOVAHBBOOFGH-DOTOQJQBSA-N 356.518 2.835 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95503408 SAVWCVBUKCNSBB-MRXNPFEDSA-N 365.437 2.897 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2c1 244900067 ZVLGSROPPPTNBS-PJIJBLCYSA-N 351.406 2.814 0 50 FFAA Cc1cc(NC(=O)N2CCN(CC3CC3)CC2)nn1-c1cccc(F)c1 180738241 PFSFBQVZNAVXCX-UHFFFAOYSA-N 357.433 2.879 0 50 FFAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)Cn3cccc(C)c3=O)nc2c1 180988968 KUWFFJDXUGMDBX-QGZVFWFLSA-N 350.422 2.705 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc23)no1)C(=O)O 252552897 VEWGJRXPIOULQD-PIGZYNQJSA-N 370.409 2.766 0 50 FFAA Cc1csc(C2(NC(=O)c3cc(S(C)(=O)=O)ccc3C)CCC2)n1 265297392 LTETWODFCHZHJN-UHFFFAOYSA-N 364.492 2.973 0 50 FFAA O=C(NCC[C@H]1CCOC1)c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1 534629407 ZULMOLCJYOWNFG-AWEZNQCLSA-N 365.433 2.879 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(C)nc4onc(C)c34)[C@H]2C1 299787868 YIUKKRQWLANGPF-ZUEVXXBESA-N 359.426 2.638 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)cc1 299797450 OGJXKJABNMJQEZ-QFIPXVFZSA-N 366.461 2.682 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CCC(Oc3ccncc3)CC2)cc1 299788900 WZNOIFIPIQSMET-UHFFFAOYSA-N 367.449 2.580 0 50 FFAA CCn1nc(C)cc1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 823599089 QZBQSZFGDBWYOE-UHFFFAOYSA-N 369.469 2.888 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccco1)N1CCN(c2cnccn2)CC1 827957147 SIPYACXYEUTVJG-GOSISDBHSA-N 362.433 2.940 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 823118457 GJBNAOHZYIYUDH-IBGZPJMESA-N 366.461 2.911 0 50 FFAA CCNC(=O)c1ccc(NC(=O)CCN2CCCCCC2=O)cc1Cl 952977837 RLTUXBOUIMOWOP-UHFFFAOYSA-N 365.861 2.821 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCOC[C@@H]1NC(=O)c1cc2ccccc2[nH]1 1565525697 NGDBNGOIXIBZBA-OALUTQOASA-N 369.421 2.877 0 50 FFAA COc1cccc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)c1OC 1565517193 OQBLCQALNSJSDS-KKSFZXQISA-N 369.417 2.767 0 50 FFAA CCOc1cc(C(=O)N[C@H]2CCc3ccccc32)ccc1OCC(=O)O 268933947 ZSUVFUHRPNNEKU-INIZCTEOSA-N 355.390 2.966 0 50 FFAA CC1(C)C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)C(C)(C)O1 185296753 PGGYFYCJSSMDQP-INIZCTEOSA-N 352.500 2.662 0 50 FFAA NC(=O)c1cnn2c1C[C@H](CNCc1cc(Cl)cc3cccnc13)CC2 275724992 ZIZDIGCMLREHIV-GFCCVEGCSA-N 369.856 2.536 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 190532265 XPBCFZRKHIMRFR-GOEBONIOSA-N 358.511 2.931 0 50 FFAA CC(C)c1nnc2n1C[C@H](NC(=O)c1ccncc1C(F)(F)F)CC2 193071727 BSKJQIFXHCUDAV-SNVBAGLBSA-N 353.348 2.560 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)N[C@H]2COc3ccccc3C2)c1C 195146930 UCSYXCGDQUULIF-MRXNPFEDSA-N 355.438 2.852 0 50 FFAA O=C(c1nnc(O)c2ccccc12)N1CCn2cccc2[C@H]1c1ccccn1 1506407437 VVFMDNDUYYJFGH-LJQANCHMSA-N 371.400 2.777 0 50 FFAA CO[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1Cc1cc(C)no1 1529155451 SOYWXSBDMSKLAX-KDOFPFPSSA-N 368.437 2.508 0 50 FFAA COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2=O)cc1 213190706 RQDWITCQMGJANE-MOPGFXCFSA-N 350.418 2.674 0 50 FFAA O=C(O)[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC12CCOCC2 1775980635 FXUQGTGOKMIQAR-CQSZACIVSA-N 371.355 2.588 0 50 FFAA O=C(C1CC1)N1CCC(CNc2nnc(CSc3ccncc3)o2)CC1 1772706705 UVILGLYPAKXGEV-UHFFFAOYSA-N 373.482 2.817 0 50 FFAA CC1=C(CN2C[C@H]3CN(c4nncs4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772809554 ADBKETCUXAESST-HNAYVOBHSA-N 362.543 2.795 0 50 FFAA CCOc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1CO 1772818494 GQDRRNXYJUKQQX-UHFFFAOYSA-N 364.405 2.799 0 50 FFAA CN(CC(=O)N1CCC(c2ccnc(O)c2)CC1)Cc1ccc(F)cc1 1772809183 OHNPHIPHCSKQMQ-UHFFFAOYSA-N 357.429 2.764 0 50 FFAA COc1ccc(CCNC(=O)[C@@H](OC(C)=O)c2ccccc2)cc1OC 5495594 AWSWCDNSSJHDOQ-IBGZPJMESA-N 357.406 2.667 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)n(C)n1 11771025 OKDHSCFRXFSCER-CQSZACIVSA-N 373.428 2.865 0 50 FFAA O=C1CCN(C2Cc3ccccc3C2)CCN1CCOc1ccc(F)cc1 12213286 CHCPGCXQWRGGMS-UHFFFAOYSA-N 368.452 2.906 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3ccccc3C)n2)cc1OC 12653843 ULBPYQZVKUHSRU-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2=O)c1 12712840 XILYZOZQHOFTRX-NRFANRHFSA-N 368.433 2.943 0 50 FFAA CC1(C)C[C@@H](NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCO1 12719118 DUSNEUYWGNCLGS-LBPRGKRZSA-N 374.393 2.670 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 16603978 BWPWLNPPKASDSE-UHFFFAOYSA-N 363.439 2.800 0 50 FFAA CS(=O)(=O)N1CC[C@@H](CN2CC3(CCCC3)c3cccc(F)c32)C1 801551534 NIXTZWLEYHYYBN-AWEZNQCLSA-N 352.475 2.739 0 50 FFAA CC1(C)OCC[C@@H]1n1nc(-c2nccs2)nc1[C@@H]1CCc2c[nH]nc21 1875348778 CHSGIWFPWOYAQN-NEPJUHHUSA-N 356.455 2.943 0 50 FFAA CC(C)C[N@@]1C[C@H]1COc1ccc(-c2noc(-c3cnn(C)c3)n2)cc1 1875385310 QTEBOMCOFYFURV-FYSMJZIKSA-N 353.426 2.856 0 50 FFAA COC1(C(F)(F)F)CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875395048 IIFMRJZPXQKNDB-VHSXEESVSA-N 361.364 2.615 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H](C)CN(C(=O)C3(C4CC4)CC3)C[C@H]2C)[nH]1 1875405080 PACARMLHORSWFU-QWHCGFSZSA-N 358.486 2.526 0 50 FFAA Cc1c(Br)cccc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886093928 KLQKCJYIYUQZQE-OAHLLOKOSA-N 350.216 2.526 0 50 FFAA CCOc1ccc(C(OC(C)=O)(OC(C)=O)c2ncccn2)cc1OCC 12412130 PPMKIFWJOHDMDC-UHFFFAOYSA-N 374.393 2.601 0 50 FFAA O=C(OCC(=O)[C@H]1CCOC1)c1cc(Br)c2occc2c1 2325781143 PCWRHVDMEQFKNR-JTQLQIEISA-N 353.168 2.958 0 50 FFAA CC[C@@]1(C)C[C@H]1C(=O)NC1(CNC(=O)C(C)(C)C2CCOCC2)CC1 2325793067 DMNURDBUAUOTDI-KXBFYZLASA-N 350.503 2.640 0 50 FFAA C[C@H](NC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(C(=O)O)cc1 2325793538 ZFMGQNDYTQIJII-NSHDSACASA-N 358.360 2.836 0 50 FFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCCc1cncnc1 2325799672 OOJHPVLYAPTLKH-UHFFFAOYSA-N 363.483 2.694 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3cncs3)C2)cc1C 2325855515 DMPSYIUXRAUWPK-KGLIPLIRSA-N 359.451 2.541 0 50 FFAA COc1ccccc1CC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 113191421 OTQRQVSEEBVJLV-UHFFFAOYSA-N 367.449 2.966 0 50 FFAA O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 1884654 QVAURIZCXYLCEN-ZDUSSCGKSA-N 356.300 2.870 0 50 FFAA O=C(c1csc(-c2ncccn2)n1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356150069 KARQKLADABISJZ-GOEBONIOSA-N 366.446 2.591 0 50 FFAA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC 2357343 UFULELRRCLMTAE-NOZJJQNGSA-N 370.331 2.660 0 50 FFAA O[C@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)CC[C@]1(O)c1ccccc1 2356162412 BHFUZYCTUZKFJM-OALUTQOASA-N 355.463 2.593 0 50 FFAA COC(=O)c1cc(C)sc1NC(=S)NCCn1cc(Cl)cn1 2858180 GFGZEKQRKDCWNC-UHFFFAOYSA-N 358.876 2.680 0 50 FFAA O=C(COc1ccccc1)NC(=S)Nc1ccc2oc(=O)ccc2c1 2861120 UCJJCIQIMIHZQR-UHFFFAOYSA-N 354.387 2.685 0 50 FFAA CCNC(=S)NCC12CC3CC(C1)CC(CNC(=S)NCC)(C3)C2 3900405 IBSWXFXRWQANBH-UHFFFAOYSA-N 368.616 2.541 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2C)c1 4412470 DNKATICVSVZURA-UHFFFAOYSA-N 367.449 2.786 0 50 FFAA Cc1nc(S)sc1CC(=O)N1CCO[C@H](c2cccc(O)c2)C1 135464418 NADVIQHDZFLCCH-ZDUSSCGKSA-N 350.465 2.588 0 50 FFAA COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)O)cc3s2)cc1 8992968 NAMGURZUPAOOGA-UHFFFAOYSA-N 364.404 2.804 0 50 FFAA CCCc1cc(CN(C)C(=O)CCCc2nc(-c3ccco3)no2)n[nH]1 55099768 BPIPBXVMCUFBGJ-UHFFFAOYSA-N 357.414 2.987 0 50 FFAA CC(C)(C)OC(=O)N[C@H](C(=O)N1CCc2ccccc21)C1CCOCC1 225764014 RRAMGHUULKQNGR-KRWDZBQOSA-N 360.454 2.896 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67804871 XYHMHZLYHPPACP-UHFFFAOYSA-N 368.481 2.575 0 50 FFAA C/C=C(\C)CN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 12308352 BYRFULJYFCRXRU-VUGVYLIFSA-N 370.541 2.840 0 50 FFAA CC[C@@]1(O)CCCN(C(=O)c2coc(COc3cccc(OC)c3)n2)C1 67432512 KDAINWWNNYQJFR-LJQANCHMSA-N 360.410 2.639 0 50 FFAA COc1cccc(Cc2nnc(NC(=O)Cc3ncccc3F)s2)c1 472098154 QNCYJGPODUMTMK-UHFFFAOYSA-N 358.398 2.853 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1 72408596 MSWOEUFHGMDUSV-QGZVFWFLSA-N 359.447 2.779 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2c3c(nn2C)CCCC3)[C@@H](C)C1 72412452 VCONGJOTNIPZMP-HNNXBMFYSA-N 368.481 2.658 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cccn1C1CC1 328628115 NIFBXISIJYBVEC-HNAYVOBHSA-N 355.486 2.712 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N2Cc3ccccc3C2)C1 71761441 ZDOCMYLKADQJJC-UHFFFAOYSA-N 371.444 2.963 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)Cc1ccoc1 328607103 UNCNZUWYKFODRP-GJZGRUSLSA-N 351.447 2.658 0 50 FFAA CC(C)COC[C@H](O)CNc1ccc(S(C)(=O)=O)cc1C(F)(F)F 253419196 FIKVEKXCBZALFI-LLVKDONJSA-N 369.405 2.554 0 50 FFAA COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2cccnc2S)C1 151461893 YZORJWITXSTOQB-CABCVRRESA-N 356.447 2.789 0 50 FFAA CNc1cc([C@H]2C[C@H](NC(=O)c3ccccc3N3CCCC3)C2)ncn1 219765139 RYCXBZYVIYODRG-GASCZTMLSA-N 351.454 2.795 0 50 FFAA CN1CCN(S(=O)(=O)c2ccc(Br)c3ccccc23)CC1 35993544 IUNVXMRUYJERKH-UHFFFAOYSA-N 369.284 2.538 0 50 FFAA O=C(NCCOc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 72437658 SQQLMHAHSOGAFM-UHFFFAOYSA-N 360.841 2.985 0 50 FFAA CCn1cnnc1CCNc1cc(-c2ccccc2F)nc2ccnn12 72422046 WEIHWPHHPQOTBC-UHFFFAOYSA-N 351.389 2.801 0 50 FFAA O=C(CCc1cc2n(n1)CCNC2)Nc1ccc(Oc2cccnc2)cc1 72475710 UUBLNJHLXZXUHS-UHFFFAOYSA-N 363.421 2.745 0 50 FFAA CS(=O)(=O)c1csc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 158759363 ROZLRZQLJOBPLR-AWEZNQCLSA-N 364.492 2.868 0 50 FFAA Cc1ccsc1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1=O 77286534 YNMCZUIPDNIQEA-CQSZACIVSA-N 356.513 2.612 0 50 FFAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(C(=O)NC2CCCCC2)C3)cc1 218970901 CNJAOOWXEKFNDC-UHFFFAOYSA-N 367.453 2.576 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)CCC1=O 77540560 APUIMFNMVBKBCU-FQEVSTJZSA-N 372.469 2.521 0 50 FFAA Cc1noc(C)c1C(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 128688877 RREGCJNNUABEQS-LBPRGKRZSA-N 354.815 2.545 0 50 FFAA CCCN1C[C@@H](Nc2cc(-c3ccccc3F)nc3ccnn23)CC1=O 72122404 QZPVERWGQSJUMY-ZDUSSCGKSA-N 353.401 2.958 0 50 FFAA Cc1ccc(NC(=O)N2CCCO[C@@H](C(C)C)C2)cc1S(C)(=O)=O 455027786 WKUJUIXEBIOFBJ-OAHLLOKOSA-N 354.472 2.677 0 50 FFAA Cn1ccnc1[C@@H](NCc1cn2cc(Cl)ccc2n1)C1CCOCC1 284715472 LBQJBIRWQBGLAQ-KRWDZBQOSA-N 359.861 2.979 0 50 FFAA Cc1c(O)cccc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 82145831 NZMNCIYMLLNFAD-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA CC(C)CNC(=O)CN1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82114370 JTTRWCBCAAOQNL-LJQANCHMSA-N 354.498 2.883 0 50 FFAA O=C(Cn1cc(Cl)cn1)N1CCc2c(ncn2CCc2ccccc2)C1 288676491 YOXLVIPWHQUYKI-UHFFFAOYSA-N 369.856 2.561 0 50 FFAA Cc1ncc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c(-c2ccccc2)n1 426661981 HPQHTANOVCCSNJ-KRWDZBQOSA-N 374.448 2.641 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1 426698461 QHMKHJZAZBJQOC-GOSISDBHSA-N 362.433 2.971 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)NCc3cnc(C)cn3)ccc21 96138445 JEUQDRKBLDCXIO-UHFFFAOYSA-N 355.398 2.626 0 50 FFAA CN(C)CCN1C[C@@H](C(=O)NC(C)(C)c2cccc3ccccc23)CC1=O 95381860 FRIBAINQBNVJTF-KRWDZBQOSA-N 367.493 2.601 0 50 FFAA COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1cc(C)ccc1C 239222093 UIZSNGWYNLFTHM-UXLLHSPISA-N 361.438 2.915 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)c3cc(-c4ccccc4O)n[nH]3)CC2)n1 91860527 VMUYGYSYGVLNDW-UHFFFAOYSA-N 365.437 2.806 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(c1cc(C)c3ccc(F)cc3n1)C2 91452618 IPMNDGLEVPLJCL-GOEBONIOSA-N 357.429 2.756 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 97568990 KMIPHHKQOHONMQ-UHFFFAOYSA-N 353.401 2.683 0 50 FFAA Cc1ccc(CN2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)o1 91616748 VYXIUNJADVUQMO-UHFFFAOYSA-N 354.458 2.649 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cn2c1 91808127 QRBYZIKCFOHMBJ-KRWDZBQOSA-N 350.422 2.859 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCn1nc(C)c(Cl)c1C)C2 91997106 UIOUGMDPRCLINU-CQSZACIVSA-N 363.845 2.529 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1c(C)[nH]c3c1C(=O)CCC3)C2 95364136 DGTOPNDLKNSPGG-ZDUSSCGKSA-N 368.433 2.832 0 50 FFAA CN(CC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)Cc1ccccn1 95386754 UJIGNSVBTUZORO-GOSISDBHSA-N 367.449 2.618 0 50 FFAA CCCCC(=O)N1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1 91664710 UZPNLEMQTUWAID-UHFFFAOYSA-N 358.490 2.747 0 50 FFAA O=C(Cc1ccccn1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91459375 GAOGWXKBPFTKNX-KRWDZBQOSA-N 361.449 2.670 0 50 FFAA CSc1nc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cs1 91877025 GIETYNYMLJFWBQ-KRWDZBQOSA-N 365.524 2.730 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 178995005 IOUXTAXPQYWZMY-INIZCTEOSA-N 364.449 2.595 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)cc2c1 237897704 UGMPHTRQAMDHEF-INIZCTEOSA-N 356.422 2.948 0 50 FFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)n1cc(-c2ccc(C(=O)O)cc2)nn1 95377899 BMMYWYKXWZKCRH-LBPRGKRZSA-N 371.418 2.656 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)N1CCCC[C@@H]1c1cn[nH]c1 182301808 JZBSRRDLCWAXIT-LJQANCHMSA-N 368.485 2.706 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 299746271 WGLAKHHJBKONIC-XEZPLFJOSA-N 352.228 2.876 0 50 FFAA COc1ccc(C(C)(C)CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 183392443 NMGXIMDOOCLWMQ-SFHVURJKSA-N 370.449 2.966 0 50 FFAA CN1CCN([C@H]2CCN(C(=O)NCc3cc(Cl)ccc3Cl)C2)CC1 534587782 JSXCQOUNKZXXSE-HNNXBMFYSA-N 371.312 2.525 0 50 FFAA CCN1CCC(CNC(=O)N2CCC[C@@H](c3ccccc3)C2)(N(C)C)CC1 534644135 SULDLYIPARRAEF-HXUWFJFHSA-N 372.557 2.992 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(CCn1ccnc1C)CC2 299770728 QQNCMKUCBXXDTJ-WSTZPKSXSA-N 356.470 2.678 0 50 FFAA CN(C)C(=O)CCc1ccccc1NC(=O)N1CCC[C@H](c2cc[nH]n2)C1 299779367 RMPWXZGBATZXAB-INIZCTEOSA-N 369.469 2.842 0 50 FFAA Cn1nc2cccc(S(=O)(=O)N[C@@H](CC(C)(C)C)c3cccnc3)c2n1 825651808 FUVRKVPYVXDUIQ-HNNXBMFYSA-N 373.482 2.819 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@@H](Cc3cnc[nH]3)n3cccc3)c2)n[nH]1 827654536 PQYDCUGMADALPC-QGZVFWFLSA-N 361.409 2.727 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)NCCCSc1ccc(Cl)cc1 584885242 WJATWWKITXDSKT-CQSZACIVSA-N 355.891 2.742 0 50 FFAA COc1ccc2nc(CNC(=O)c3cnn(Cc4ccccc4)c3)[nH]c2c1 670460417 KOSUXBAGBPAREK-UHFFFAOYSA-N 361.405 2.746 0 50 FFAA O=C(Cc1cccs1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275515143 DOEKPKGZFUDHSG-HNNXBMFYSA-N 357.479 2.966 0 50 FFAA Cc1noc(C)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275757912 WPUQLNFINOGBRW-HNNXBMFYSA-N 356.426 2.580 0 50 FFAA COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2C2CC2)N2CCCC2)cc1 170615861 SHONEQSPXYKUKV-PMACEKPBSA-N 357.498 2.575 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1CCCO[C@H]1c1ccccc1 170644405 OZIPHKCTUHBDOF-CVEARBPZSA-N 372.494 2.728 0 50 FFAA CN1CCC(n2nccc2NC(=O)[C@@H](c2cccc(F)c2)N(C)C)CC1 1506431502 NAFGNKXDHXSZIT-GOSISDBHSA-N 359.449 2.530 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(C(=O)c3occc3C)CC[C@@H]21 215413495 PPFDTWPKBHITSH-CABCVRRESA-N 350.484 2.794 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529099230 UUZQPNXHFSACRU-CRAIPNDOSA-N 359.857 2.515 0 50 FFAA O=C(O)Cc1ccc(CN2CCCN(C(=O)CC3CCCC3)CC2)cc1 1772708558 DXORPGSCVIHDOI-UHFFFAOYSA-N 358.482 2.928 0 50 FFAA NC(=O)c1cnc(C(=O)N(Cc2ccccc2)CC2CCCCC2)cn1 1772709758 NDBSKRWMYPHRNU-UHFFFAOYSA-N 352.438 2.798 0 50 FFAA CCc1ccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5069377 MIMLSMAFVOWVRR-QZTJIDSGSA-N 356.447 2.861 0 50 FFAA CC(C)N(Cc1cnn(C)c1)C(=O)c1cn(CCCc2ccccc2)nn1 11998450 AOOOHZNSPCLULK-UHFFFAOYSA-N 366.469 2.695 0 50 FFAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2cnccn2)C1 12072312 HPPLUGQVWWBXBU-OAQYLSRUSA-N 367.449 2.895 0 50 FFAA CCOc1ccc(-n2nnnc2SCCC(=O)NC2CCCC2)cc1 12274095 XBAGZYNYXMWOEG-UHFFFAOYSA-N 361.471 2.602 0 50 FFAA CCOC(=O)N1CCC(NC(=O)CCn2ccc3ccc(F)cc32)CC1 12324717 YQJWATVFGHSQDZ-UHFFFAOYSA-N 361.417 2.908 0 50 FFAA CC(C)N1CCC(N2CCC[C@H](C(=O)NCCOc3ccccc3)C2)CC1 14957893 KJHXBBSDCFPZFQ-IBGZPJMESA-N 373.541 2.766 0 50 FFAA CN1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 15005797 DAGWTJCEQLEESV-PKOBYXMFSA-N 351.450 2.653 0 50 FFAA Cc1ccc(C(=O)N[C@H](N2CCOCC2)C(Cl)(Cl)Cl)cc1 19300958 LUPQCTMSBYQREX-CYBMUJFWSA-N 351.661 2.753 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3ncc(C(=O)O)cc3Cl)C1)CC2 1857709024 ZZFFUAFMQMVXAS-SFHVURJKSA-N 374.828 2.722 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)c2)s1 1857727851 CGPBRGRKYFOQBK-APHBMKBZSA-N 358.467 2.609 0 50 FFAA CC(C)N1C[C@@H](C)[C@@H](NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 155619462 KTWYUEOSYVOJKO-ABAIWWIYSA-N 372.296 2.568 0 50 FFAA O=C(N1CC[C@@H](n2cncn2)C1)C1(c2ccccc2Br)CC1 372749255 HTFHYIQWHDPADG-GFCCVEGCSA-N 361.243 2.546 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3C(=O)O)sc2C)cc1 263158819 OMDDJRANLOWIPH-OAHLLOKOSA-N 361.419 2.658 0 50 FFAA C=CC(=O)N1CCC[C@@H](c2nn(-c3ccccc3)cc2C(=O)NCC)C1 823128847 SBYVKEHUWOOOBI-OAHLLOKOSA-N 352.438 2.514 0 50 FFAA COC(=O)[C@@H]1C[C@@H](C)CN(C(=O)NCCc2ccc3ncccc3c2)C1 1875301017 AHYMOAIGEYBLQS-RHSMWYFYSA-N 355.438 2.618 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cc1 1875373569 GHPQXSUAOXIMTH-OAHLLOKOSA-N 358.344 2.977 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@H]1C(F)(F)F 886036563 VCRUERUBVKTRPA-DOMZBBRYSA-N 353.344 2.840 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N[C@@H]3CCC[C@H](OC(F)F)C3)cc2=O)cc1 888092752 ZIKCQLJSMSFYDV-OCCSQVGLSA-N 365.380 2.754 0 50 FFAA CC1(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCCC1 893915922 AUQCMSVEIULXRL-NRFANRHFSA-N 356.466 2.597 0 50 FFAA Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c(C)n1Cc1ccccc1 896580355 HJXQMWRQGFIOQO-DYESRHJHSA-N 368.525 2.517 0 50 FFAA COc1ccc2c(c1C)CC[C@@H]([C@]1(O)C(=O)N(C)c3ccccc31)C2=O 854539 WVAPPHWKUCYWNX-IERDGZPVSA-N 351.402 2.613 0 50 FFAA Cc1nc(CN)sc1C(=O)N1CCC(n2ncc3ccccc32)CC1 2325774882 BMPYWOVJUMTLNL-UHFFFAOYSA-N 355.467 2.737 0 50 FFAA Cc1cncc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)c3ncccc3C)C2)c1 2325786963 NZKHFLSCOMPRJA-DLBZAZTESA-N 366.465 2.764 0 50 FFAA Cc1ccccc1[C@@H](CN(C)C)NC(=O)c1ncoc1[C@@H]1CCCCN1 2325801838 YBQCLFNVRQPQEM-DLBZAZTESA-N 356.470 2.830 0 50 FFAA Cc1ccc(C(=O)N2CCN(CCN(C)C(=O)CC(C)C)CC2)c(C)c1 2325867411 VIWNSNSIURCKCO-UHFFFAOYSA-N 359.514 2.566 0 50 FFAA COc1ccc(-n2nc(CCCO)nc2[C@@H]2CCc3n[nH]cc3[C@@H]2C)cc1 2325872085 HGTCKDIZBWGMDN-CZUORRHYSA-N 367.453 2.757 0 50 FFAA O=C(NCc1[nH]nc2ncccc12)c1ccc(-c2cnc3cnccn23)cc1 2356162341 ICXGTAWIKJHLIZ-UHFFFAOYSA-N 369.388 2.598 0 50 FFAA COc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2C)cc1 3567654 NKCYAPPDMPCWRH-UHFFFAOYSA-N 360.483 2.841 0 50 FFAA CCOc1ccc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)cc1 4856730 MGLFJAOXYJPNDX-UHFFFAOYSA-N 369.830 2.575 0 50 FFAA Cc1cccc2nc(CCNC(=O)[C@@H]3[C@H]4CN(C5CCCC5)C[C@H]43)[nH]c12 102771834 ZKTFTQOGEQLXGS-MNZLEMJZSA-N 352.482 2.650 0 50 FFAA O=S(=O)(Nc1nncn1Cc1ccccc1)c1cc(F)ccc1Cl 225397873 XDGJWGFFPGZIIW-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 55108444 LWUVENDGVVQZTM-LJQANCHMSA-N 358.482 2.844 0 50 FFAA CC[C@H](C(=O)NCc1nnc2n1CCC2)n1cc(C(C)=O)c2ccccc21 55131625 YNERDPFBQDKYGK-MRXNPFEDSA-N 365.437 2.649 0 50 FFAA CCC1=NO[C@@H](Cn2c(=O)n(C(CC)CC)c3ncc(C(=O)O)cc32)C1 55182979 CJQGGBFLCPVCPA-CQSZACIVSA-N 360.414 2.812 0 50 FFAA CCCN1CCC(N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)CC1 67690895 JXSTWJLSPFNKSB-UHFFFAOYSA-N 369.513 2.614 0 50 FFAA COc1ccc([C@H]2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1 22184912 SJURKIUWAWPVGA-HNNXBMFYSA-N 359.403 2.597 0 50 FFAA O=C1CC[C@H](C(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)CN1 67641624 LXIKNJMKEFGYLD-HNNXBMFYSA-N 374.444 2.641 0 50 FFAA CCOC(=O)N1CCC(N2CCN(c3ccccc3OCC)CC2)CC1 757095 XZKIXJCMDUFTLE-UHFFFAOYSA-N 361.486 2.828 0 50 FFAA COC(=O)[C@](O)(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2764720 YNPLACAHMXLMFE-LLVKDONJSA-N 360.115 2.788 0 50 FFAA Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1C 4165659 JRKGTFRQHNVRBR-UHFFFAOYSA-N 373.416 2.838 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)CC(C)C)cc1 72156681 YSSMYEKUPFIJJC-FQEVSTJZSA-N 373.541 2.826 0 50 FFAA CCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 72408542 RKIGLQJFWBHYCT-DLBZAZTESA-N 354.516 2.540 0 50 FFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2c(Cl)nc3sccn23)on1 320750856 AWLBUCSZSZCWME-SECBINFHSA-N 372.859 2.871 0 50 FFAA Cc1noc(C)c1CC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328637563 WAODKEVOLHYHOK-GFCCVEGCSA-N 370.375 2.770 0 50 FFAA NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](Nc3ccccc3)C2)cc1 155052980 JYMZCHZUAQWGGU-LJQANCHMSA-N 366.465 2.691 0 50 FFAA C[C@@H](NC(=O)CN(Cc1cccnc1)C1CCN(C)CC1)c1ccccc1 72122329 KLKRQDRCZWTKMD-GOSISDBHSA-N 366.509 2.855 0 50 FFAA CC(C)CCNC(=O)[C@@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 32072332 ZVQXPNACYOMFNA-OAHLLOKOSA-N 358.490 2.626 0 50 FFAA O=C(CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1)NC1CC1 72438060 UWOXLZRJXXTWSO-JOCHJYFZSA-N 369.509 2.560 0 50 FFAA CC(C)[S@@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 236696295 LBCDLKXXRPZFQB-LFPIHBKWSA-N 351.468 2.920 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCO[C@]2(CCO[C@H]2C)C1 280577779 VWPZQDFHGHPJGC-SUNYJGFJSA-N 352.862 2.855 0 50 FFAA COc1ccc(O)cc1CN1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O 72148444 QLRRGSJGVVGZOW-RTWAWAEBSA-N 369.461 2.997 0 50 FFAA C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[C@H](CNc2ccccn2)C1 171644315 VBYUEWHEBQZZGO-NVXWUHKLSA-N 356.445 2.659 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cc(C)nn3CC)CC2)OC1=O 77457106 XYHKUTRMCUUCDX-HNNXBMFYSA-N 362.474 2.827 0 50 FFAA Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H](N)C1 237644044 BJYYWCIIXQVMJI-GFCCVEGCSA-N 351.859 2.857 0 50 FFAA CNC(=O)[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 47896640 XHNYWXSULYUPMR-HXUWFJFHSA-N 365.477 2.890 0 50 FFAA C[C@H]1COc2ccccc2N1C(=O)CCn1c(=O)n(C)c2ccccc21 175354248 YZJZALDWEOAQCP-AWEZNQCLSA-N 351.406 2.544 0 50 FFAA O=C(CC1CCOCC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 175323842 PCIRFAHPJLDFEO-UHFFFAOYSA-N 361.833 2.948 0 50 FFAA CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2cnc(N)cn2)cc1 426734268 JCLABYUNZKIEAV-UHFFFAOYSA-N 353.470 2.672 0 50 FFAA C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(Cl)cc1)S(C)(=O)=O 239274850 ATDPBLHDRVMVRL-QCQGSNGOSA-N 370.902 2.799 0 50 FFAA COc1nccnc1N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91626313 OJHVZFFKCJXJEC-INIZCTEOSA-N 350.426 2.509 0 50 FFAA CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@H](O)CN2CCCC2)cc1 426667318 FRTPJBSXGBFTDO-IBGZPJMESA-N 366.461 2.743 0 50 FFAA O=C(c1cc2ccccc2cc1O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91526384 ANRGAEUFJKTNFE-RTBURBONSA-N 368.477 2.712 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)NCc2cccc(F)c2)C1 91974207 ZZXLODOOIVORAI-INIZCTEOSA-N 360.433 2.758 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1OC)C2 91645791 CVZIQLLHXZSCHH-GXTWGEPZSA-N 350.846 2.822 0 50 FFAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)o1 91894180 HGOWZQSQEQIGFD-KRWDZBQOSA-N 374.481 2.920 0 50 FFAA Cc1nc([C@H](C)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n[nH]1 95360004 MYKKTDDKLVLZMG-JTQLQIEISA-N 354.380 2.847 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 92038117 MLIRMPDXNAVGQC-MRXNPFEDSA-N 365.437 2.897 0 50 FFAA Cc1cc2c(cc1NC(=O)N1CCC[C@@H](c3ccncn3)C1)OCCO2 96152606 NVZIRIZESNGSBN-CQSZACIVSA-N 354.410 2.968 0 50 FFAA CCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 91604391 VVVJXCHYRRGQMJ-HNNXBMFYSA-N 363.483 2.788 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)cc1F 97532486 FUFGXHVFXKZJJS-NSHDSACASA-N 355.373 2.896 0 50 FFAA Cc1ncsc1CCC(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 97681777 OELXCHNFDUZLTK-HNNXBMFYSA-N 357.479 2.574 0 50 FFAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2)c1 245297216 QKUSLTJRZAQGFN-SLFFLAALSA-N 361.445 2.839 0 50 FFAA COc1ccc(-c2ccc(C(=O)N[C@]3(CO)CCOC3)c(F)c2)c(F)c1 182858694 WITGVESORIOCRR-IBGZPJMESA-N 363.360 2.522 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCc1ccc2nc(O)[nH]c2c1 827792067 CTOMHMFJZYZYBF-UHFFFAOYSA-N 372.812 2.875 0 50 FFAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cnc3ncnn3c2)c1 584890383 HZJMTJIMKJVZEK-GOSISDBHSA-N 365.437 2.823 0 50 FFAA CN(Cc1ccc2nsnc2c1)S(=O)(=O)c1c(F)cccc1F 952964160 MURZSBGEFXBPEN-UHFFFAOYSA-N 355.391 2.790 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3ncnc4sccc34)[C@@H](O)C2)cs1 1565511175 BHHHUNLECZVOAS-KBPBESRZSA-N 361.496 2.504 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCC(Nc2ccncc2Cl)CC1 301531433 RYQXTIRBQPGFOJ-GOSISDBHSA-N 373.840 2.978 0 50 FFAA CCCOc1ccc(CN[C@H](CCOC(C)C)C(=O)OC)cc1OC 170616007 FAOCTPXLDDDFIK-MRXNPFEDSA-N 353.459 2.930 0 50 FFAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)CC2CC(O)C2)cs1 190156661 QPABWJXMTJTDLB-UHFFFAOYSA-N 371.506 2.710 0 50 FFAA CCCOc1ccc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)c(C)c1 191750214 GUQBLBBMBUBLPC-UHFFFAOYSA-N 361.486 2.936 0 50 FFAA O=C(Nc1ncccc1O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 192735351 VZSOHQAOTAVACO-HIHZZFLASA-N 369.465 2.933 0 50 FFAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)CC(c1ccccc1)c1ccccc1 210230927 HHWIZJGDRAIFQO-MJGOQNOKSA-N 353.418 2.645 0 50 FFAA O=C(C1CCN(c2ncnc3cc[nH]c23)CC1)N1CCc2ccccc2C1 1772812569 NLPNXTVKPCOPAP-UHFFFAOYSA-N 361.449 2.759 0 50 FFAA CCCC(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12191185 QSMIPWOOOXFEDK-MRXNPFEDSA-N 373.474 2.977 0 50 FFAA COc1ccc(OC)c(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 12197590 MQJFIQULZRZYKU-KRWDZBQOSA-N 358.413 2.734 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1 12383059 XVRNITYYUQHHJS-UHFFFAOYSA-N 352.500 2.689 0 50 FFAA O=C1C[C@H](C(=O)N2CCCCC2)Cc2nc(NC(=O)C3CCC3)sc21 15068515 LLUGLWWWGRCBLZ-GFCCVEGCSA-N 361.467 2.639 0 50 FFAA COc1ccc2c(c1)C[C@@H](N1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2 19224240 VDZDFEQJOUBWQY-SFHVURJKSA-N 369.513 2.675 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NC[C@@H]3CCCOC3)nc2)n1 19229521 GPUJGTPINYFESY-ZDUSSCGKSA-N 360.483 2.869 0 50 FFAA O=C(CN1CCN(CCO)CC1)c1ccc(Sc2ccccc2)cc1 19369634 WLZJNZWVKSSQML-UHFFFAOYSA-N 356.491 2.630 0 50 FFAA O=C(Cc1ccccc1)N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19832564 IOXWBMLEUDAWKM-TZMCWYRMSA-N 365.688 2.810 0 50 FFAA CCN1CCC[C@@H]1Cn1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857702908 IDFQKDBYOBHIJI-OAHLLOKOSA-N 352.438 2.885 0 50 FFAA CCCc1nnc(N2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)s1 1857710785 PNTUMEKDIRHFBE-HNNXBMFYSA-N 372.494 2.593 0 50 FFAA CCc1ccccc1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857730258 OMHHYEBCPFYJMV-GPQLQYNLSA-N 354.494 2.868 0 50 FFAA O=C(Cc1cccs1)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857734993 BQLWBDHONYILCS-JRBPQWBISA-N 360.523 2.829 0 50 FFAA Cc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)c(C)cc1Br 330908996 UHYYOACUOADGSZ-INIZCTEOSA-N 370.287 2.973 0 50 FFAA O=S(=O)(c1ccc(Br)o1)N1CCCC[C@H]1c1ncc[nH]1 408214666 OMUYUSZRYBAYAI-VIFPVBQESA-N 360.233 2.681 0 50 FFAA O=C1CCc2cc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)ccc2N1 126586384 DFOPVEQFQFBZAS-UHFFFAOYSA-N 370.840 2.582 0 50 FFAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCc2nc[nH]c2C1 378108021 AYTWIILSKPMHQF-ZDUSSCGKSA-N 357.845 2.944 0 50 FFAA COc1cc(Cl)cc(C(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)c1 1704326755 MGEURFPHGKFSKR-KRWDZBQOSA-N 353.846 2.885 0 50 FFAA CCOc1ccc2nc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)ccc2c1 1704337748 YXEMNEIWZNPGID-FGZHOGPDSA-N 369.509 2.912 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCOC2)cc1 1875287575 PIUQPWTXBQBKSP-PZJWPPBQSA-N 366.461 2.690 0 50 FFAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCCN(Cc4cscn4)[C@H]3C2(C)C)n[nH]1 1875405026 LJPGUYZZSMTCGD-NUEKZKHPSA-N 359.499 2.594 0 50 FFAA COC1(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)c3ccc4ccoc4c3)C2)CC1 1875406247 ACCSXPGDZPUSAN-CZUORRHYSA-N 356.422 2.721 0 50 FFAA O=C1CCN(C(=O)c2cc3ccccc3n2CC(F)(F)F)[C@H]2CCCN12 888166889 YKWFYPGIUBKZRL-HNNXBMFYSA-N 365.355 2.998 0 50 FFAA CC(C)c1ccc(-n2cc(CN3CCC(N4CC(O)C4)CC3)cn2)cc1 2100480647 MHACOADIJHTFDI-UHFFFAOYSA-N 354.498 2.637 0 50 FFAA Cc1cc(CN2CC[C@H](C(=O)O)[C@H](c3ccccc3)C2)nc(N(C)C)n1 2325796565 YQYWJVSFOBUPJY-ROUUACIJSA-N 354.454 2.541 0 50 FFAA O=C1OCC[C@H]1N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325802718 XHTSJCAJBFCKMK-QGZVFWFLSA-N 363.417 2.804 0 50 FFAA O=C(Cc1cc(C2CC2)on1)N[C@H]1CCC[C@@H](NC(=O)CC2CCC2)C1 2325868228 SSFGCZDNHCZVTC-CVEARBPZSA-N 359.470 2.828 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(F)cc3)C2)ccc1O 2325872072 GUXGPCRELCHNBZ-QGZVFWFLSA-N 356.397 2.826 0 50 FFAA N[C@]1(CO)CCCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)C1 900374723 MEQZTMAKYYPVLO-CQSZACIVSA-N 359.282 2.802 0 50 FFAA Cc1nc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)co1 2356138625 NRZBXUGHPWVHAR-JTQLQIEISA-N 357.801 2.998 0 50 FFAA COc1ccccc1-n1cc(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cn1 2356152973 KMYCQKJKAAWYHM-KSZLIROESA-N 368.481 2.570 0 50 FFAA Cc1nc([C@H]2CCCN(C3CCOCC3)C2)n(-c2ncccc2Cl)n1 2356159036 JFPJOCSLZAJOJF-AWEZNQCLSA-N 361.877 2.983 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2c(F)cc(OC)cc2F)C1=O 2356164814 HYZKKCGUEKPWLF-IBGZPJMESA-N 366.408 2.981 0 50 FFAA CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2 100636518 WJJPBZZNOSQQEI-INIZCTEOSA-N 367.434 2.706 0 50 FFAA CCc1nnc(-c2nc3c([nH]2)C[C@H](c2ccccc2OC)CNC3=O)s1 65374960 OZLGBELCWNNMDP-JTQLQIEISA-N 369.450 2.569 0 50 FFAA O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(Cc2ccccc2)CC1 22298710 LDJFPJRSADPBMC-JOCHJYFZSA-N 366.505 2.733 0 50 FFAA CCn1ncc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c1C 65396514 UQSBFPUWKMBYNK-UHFFFAOYSA-N 359.817 2.887 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2ccc(F)cc2n1 63689722 DOMGJYGSFHSEDQ-IBGZPJMESA-N 363.392 2.735 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CC[C@@](O)(c2ccccc2)C1 65493579 PKPOYJVKSUOKNT-NRFANRHFSA-N 354.450 2.612 0 50 FFAA CN(Cc1[nH]nc2c1CCC2)C(=O)c1c(Cl)c(C(F)(F)F)nn1C 67867137 LZRFLXXMLAJWEM-UHFFFAOYSA-N 361.755 2.576 0 50 FFAA COc1ccnc(N(C)C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 425614275 ZIEURRVEKAIIOY-APWZRJJASA-N 353.422 2.663 0 50 FFAA CCn1ncc(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)c1C 2780491 VHQRKFDDTCRKQO-UHFFFAOYSA-N 371.466 2.554 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279630691 DAWOAQMFEJGSSA-ZWNOBZJWSA-N 352.312 2.754 0 50 FFAA Cc1cc2occ(CC(=O)NCCN3CCCC[C@H]3CO)c2cc1Cl 216533125 IHFTYSLMDQJDTD-HNNXBMFYSA-N 364.873 2.900 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 72419306 ZHNIIVJSXRQGHC-KRWDZBQOSA-N 367.474 2.549 0 50 FFAA Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 374225191 NDNZPZIUINSANF-KRWDZBQOSA-N 367.449 2.667 0 50 FFAA CC(C)(C)c1nnc2ccc(N3CC[C@@]4(C3)C(=O)Nc3ccccc34)nn12 369019670 ZIPMKWPTADXTIS-FQEVSTJZSA-N 362.437 2.522 0 50 FFAA Cc1cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)cc(=O)[nH]1 215535411 IDJODGFGSIKDTP-UHFFFAOYSA-N 354.385 2.555 0 50 FFAA CC(=O)N[C@H](C(=O)O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 236712870 IZMBOVSILJLAHP-AWEZNQCLSA-N 355.316 2.770 0 50 FFAA O=C(CCc1nc(-c2cccs2)no1)N1CCC(c2cnc[nH]2)CC1 378089154 SDILIUAHINFFTQ-UHFFFAOYSA-N 357.439 2.860 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CCCC[C@@H]1CCn1cccn1 222283319 KKQRJZVRCVQAQJ-HXUWFJFHSA-N 352.482 2.713 0 50 FFAA CC[C@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1 175003209 DNNZDJZVQAYUQX-IRXDYDNUSA-N 354.454 2.534 0 50 FFAA O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccccc1 136067355 QKYDIAVKOQRKIA-RCCFBDPRSA-N 367.836 2.876 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)n1 48436047 DVKQYVBUPGAVPJ-HNNXBMFYSA-N 368.485 2.697 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)N1CCN(Cc2cccnc2)CC1 42928253 SIAFKDKEURYQJN-SFHVURJKSA-N 352.482 2.930 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCCc2nnc(C)s2)cc1Cl 426674108 DZEHTQGNBSHZBD-UHFFFAOYSA-N 367.862 2.614 0 50 FFAA Cc1ccccc1CC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82099622 RUZYCRAWFNCKMY-UHFFFAOYSA-N 354.498 2.912 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2ccccc2CO)cc1 426573003 DKBZKLAAODJCOP-CQSZACIVSA-N 350.422 2.948 0 50 FFAA Cc1c(Br)c(-c2nn3c(C(F)(F)F)nnc3s2)nn1C 20606020 CYACXRYFOGGRRQ-UHFFFAOYSA-N 367.154 2.676 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCCn2cncn2)C1 91650830 DWAJCFXLPNQLPS-HXUWFJFHSA-N 370.453 2.658 0 50 FFAA Cc1noc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 91724802 UAPQEUJYWJDRLA-OAHLLOKOSA-N 356.426 2.513 0 50 FFAA CSCc1noc(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)n1 91645021 VBKHYYZYVRCSRY-SFHVURJKSA-N 364.515 2.547 0 50 FFAA CC(C)C(=O)Nc1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)ccn1 293559110 PPULYOXDEGBOMQ-GOSISDBHSA-N 367.449 2.920 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1csc(N3CCCC3)n1)CO2 91487025 LFQSIZGEEQGUFI-CQSZACIVSA-N 373.478 2.619 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(Cc2cc3cc(C)ccc3[nH]c2=O)C1 91563520 OZHOMDJCJBORSY-OAQYLSRUSA-N 372.465 2.930 0 50 FFAA Cc1ccc(C)c(OC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 240825205 QOAXYXAHLCLESO-ZWRLCHQNSA-N 365.429 2.650 0 50 FFAA O=C(CCN1CCCCCCC1)NCc1csc(-c2ncccn2)n1 244685608 ITHQAMGUCRSQDZ-UHFFFAOYSA-N 359.499 2.873 0 50 FFAA COCCN1Cc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2OCC1=O 263619277 XWQBVAXMYRYSGR-HNNXBMFYSA-N 368.433 2.545 0 50 FFAA CSCC[C@H](C(=O)N1CCN(CCc2ccncc2)CC1)n1cccc1 263587167 CYNJRWOFXFVALQ-LJQANCHMSA-N 372.538 2.564 0 50 FFAA C[C@@H](NC(=O)N(CCO)Cc1nccn1C)c1ccc2c(c1)CCCC2 534631081 CCPPQVRKNUVFSJ-OAHLLOKOSA-N 356.470 2.564 0 50 FFAA O[C@H](CN1CCC(Nc2cccnn2)CC1)c1ccc(F)cc1Cl 185000351 GRKJWCCHTXMLSB-MRXNPFEDSA-N 350.825 2.879 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67604220 SZYCAAKCYKYHGD-UHFFFAOYSA-N 367.384 2.731 0 50 FFAA Cn1ccc2cc(CN3CCn4nc(CNc5ncccn5)cc4C3)ccc21 299762451 VNMBWWFSBGPELV-UHFFFAOYSA-N 373.464 2.793 0 50 FFAA CN1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)C[C@H]1CCO 299757771 BDPQSPLIGYHIHN-HXUWFJFHSA-N 363.461 2.974 0 50 FFAA O=C(NC1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 299778508 PFPWURRNPPUSRS-UHFFFAOYSA-N 356.397 2.996 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)CCc1n[nH]c3c1CCCC3)C2 299797485 NZUXCMSMQUKXRL-UHFFFAOYSA-N 353.470 2.851 0 50 FFAA CCCn1cc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3C)c2)cn1 952979028 GQHSCDYZSDUZGV-UHFFFAOYSA-N 373.482 2.608 0 50 FFAA Cn1ccc2c(C(=O)N[C@H]3CCOC[C@@H]3OCc3cscn3)cccc21 1565509075 RIFFOSPBJOGNKI-WMZOPIPTSA-N 371.462 2.739 0 50 FFAA CN(C)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 185370365 NIDCALUQFVIFBI-MRXNPFEDSA-N 373.375 2.795 0 50 FFAA Cc1nnc2n1C[C@H](CNc1nc(-c3cccnc3)nc3c1CCC3)CC2 269041807 MVOIWRKYCJRITD-AWEZNQCLSA-N 361.453 2.602 0 50 FFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)c2csc([C@H]3CCCO3)n2)c1 167012873 QYLAKXMMTGRQBO-CYBMUJFWSA-N 370.427 2.561 0 50 FFAA C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC[C@@H](CO)CC1CCCCC1 170611739 TUPXCNTYOSRMNP-VZIBSNAFSA-N 372.509 2.900 0 50 FFAA COC(=O)[C@H](CCOC(C)C)NC(=O)c1ccccc1OC(F)(F)F 170605778 DEBNOSOZRXMHOM-LBPRGKRZSA-N 363.332 2.672 0 50 FFAA CC(C)c1nnc2n1C[C@@H](NC(=O)c1ccncc1C(F)(F)F)CC2 193071744 BSKJQIFXHCUDAV-JTQLQIEISA-N 353.348 2.560 0 50 FFAA COc1ccc(OC[C@H](O)Cn2nc(C(F)(F)F)c3cnccc32)cc1 193005040 SZJUVNWNZDCFQU-LLVKDONJSA-N 367.327 2.899 0 50 FFAA O[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H]1Cc1ccccn1 1616080485 RATVORHKUHLSMH-REWPJTCUSA-N 365.521 2.624 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1=O 1506425487 FYFHLYKOVIMIMO-AWEZNQCLSA-N 363.889 2.881 0 50 FFAA CCc1nc(C)c(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)[nH]1 1529118898 PSRJQCVBXYUEGC-OXQOHEQNSA-N 350.466 2.864 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c2cc(F)ccc2n1 1800414316 MYKNKFKVNYGIRW-INIZCTEOSA-N 372.396 2.636 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2cc(C)ccn2)cc(OC)c1OC 908390 ONQJREUNKRICEN-UHFFFAOYSA-N 361.423 2.543 0 50 FFAA O=C(c1ccc2[nH]ccc2c1)N1CCCN(CCCn2ccnc2)CC1 1772709100 MFBUMAPAPGXGIS-UHFFFAOYSA-N 351.454 2.603 0 50 FFAA CC1=C(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)OCCO1 12749873 VXJOGTPLNLUACB-QFIPXVFZSA-N 370.493 2.822 0 50 FFAA COc1ccc(-c2n[nH]cc2[C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 13132433 KMCLMNZOPNBQFB-QGZVFWFLSA-N 359.393 2.531 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cc(F)cc(F)c1)CCCC3 169778397 RIDPVSATPJHIRK-UHFFFAOYSA-N 372.375 2.760 0 50 FFAA Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(C(=O)C3CCC3)C[C@]23CC[C@H]1O3 1857710309 QAUVKTGQEBIEBP-QCBUCWTNSA-N 374.506 2.592 0 50 FFAA COCC1(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)CCC1 1857729945 KBDCWKXHBWRUFS-HNNXBMFYSA-N 372.469 2.762 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc1 1857741597 ZZJQVCSHSTXARW-LNLFQRSKSA-N 358.482 2.520 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1C 1875249875 HHWAYVSAVBADOO-MOPGFXCFSA-N 360.498 2.505 0 50 FFAA O=C(COc1cccc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)C(=O)O 216619425 VILLYLRIUBMZMS-OAHLLOKOSA-N 367.323 2.896 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 126120037 GZJAXVPBUVJCCQ-IBGZPJMESA-N 357.498 2.984 0 50 FFAA COc1ccc(F)c(CN2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c1 248071462 YMOXYNBUELBXGW-WBVHZDCISA-N 358.461 2.962 0 50 FFAA CC(C)(C)c1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)n[nH]1 248200058 UXFFBXLJVJPZPE-CABCVRRESA-N 371.437 2.736 0 50 FFAA CCOC(=O)c1cnc2c(Cl)cccc2c1NCCN1CCOCC1 19791739 HIOBZLAZCVYGTN-UHFFFAOYSA-N 363.845 2.809 0 50 FFAA COC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 363436084 JQTWLEDJRHCLEX-HZMBPMFUSA-N 359.253 2.749 0 50 FFAA Cc1cc(C(=O)N[C@@H](CC(F)F)C(=O)O)c(C)cc1Br 262926856 GQCGYYGVVRZZFX-JTQLQIEISA-N 350.159 2.904 0 50 FFAA CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 901860667 NPOQGVQCWILAGB-UHFFFAOYSA-N 374.437 2.950 0 50 FFAA CCn1c(CN2CCC(c3cn[nH]c3)CC2)nc2cc(C(=O)O)ccc21 846238932 GASMYJXLJKIPEX-UHFFFAOYSA-N 353.426 2.857 0 50 FFAA Cc1ccnn1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCC2 862224135 UVRDWRFYWYPSTK-LJQANCHMSA-N 352.482 2.610 0 50 FFAA O=C(c1ccc2c3c(cccc13)CC2)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1875270422 KLZVNNYWHHRNFR-CQSZACIVSA-N 361.401 2.769 0 50 FFAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cc3ccccc3c(O)n2)C1 1875395632 HELKUAMACBBWIZ-SIBVEZHUSA-N 373.478 2.807 0 50 FFAA Cn1cc([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[C@H](OC(C)(C)C)C2(C)C)cn1 1875396670 QLWWITAPNVLIOX-NCOADZHNSA-N 363.502 2.844 0 50 FFAA C[C@H]1CCN(c2cnc(F)cn2)C[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 1875333852 NXPYABOORTULBY-XJKSGUPXSA-N 367.428 2.989 0 50 FFAA CCn1cccc1C(=O)N[C@@H]1COC2(C1)CN(CC1CCC(C)CC1)C2 1875406616 IJHJGKHQHVZOMB-ABHNRTSZSA-N 359.514 2.907 0 50 FFAA O=C1CC(CC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC(=O)N1 2325780323 YCYGVJDIYILUNL-LJQANCHMSA-N 364.392 2.518 0 50 FFAA Cc1[nH]c(-c2ccccc2)cc1C(=O)N1C[C@H](C(=O)O)Cc2c1cnn2C 2325803198 WXXWYJPUSYEPIZ-CQSZACIVSA-N 364.405 2.627 0 50 FFAA COC(=O)c1c(N)n(-c2ccc(C(=O)O)cc2)c2nc3ccccc3nc12 636262 ZCHXWRCUBRKXLO-UHFFFAOYSA-N 362.345 2.641 0 50 FFAA NC(=O)c1ccccc1NC(=O)c1cccc(I)c1 1217851 LPZRRPJGAWJANZ-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA COc1ccc(CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1OC 4512613 XZZXBRDFZWXCES-UHFFFAOYSA-N 367.405 2.921 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cccc(OC(C)=O)c2)CC1 4843127 FUWGJBRYJDRYHZ-UHFFFAOYSA-N 354.406 2.583 0 50 FFAA CC(C)CN1CC(=O)N(C2CCN(c3ccc(N(C)C)cc3)CC2)C1=O 225558478 HIVSHTUSGSGNJD-UHFFFAOYSA-N 358.486 2.642 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 101320232 PHMRRVDNMRMVEH-WDQYXFPCSA-N 367.232 2.963 0 50 FFAA NCc1cn(C[C@@H]2CCCN(C/C=C/C=C/c3ccc(F)cc3)C2)nn1 23581050 MGJITHODMKRYGR-LTGKMHJSSA-N 355.461 2.858 0 50 FFAA CCOC(=O)C1(CCOC)CCN([C@@H](C)Cn2nc(C)cc2C)CC1 12387668 NTZMAHIYEPIFRT-KRWDZBQOSA-N 351.491 2.570 0 50 FFAA COc1ccc(OCc2cc(C(=O)N3CCCCO3)n[nH]2)c(Cl)c1 11935644 MCSXYOVNSYCMRX-UHFFFAOYSA-N 351.790 2.818 0 50 FFAA Cn1nc(CC2CCN(Cc3ccoc3)CC2)n(-c2ccccc2)c1=O 67871358 VZZCUWVGJOTVHV-UHFFFAOYSA-N 352.438 2.619 0 50 FFAA Cn1c([C@@H]2CCCN2[C@H]2CCN(CC(F)(F)F)C2=O)nc2c1CCCC2 328631150 KCUVGJGEQGKSEB-GJZGRUSLSA-N 370.419 2.599 0 50 FFAA Clc1ccccc1C1(c2ccnc(NC3CCNCC3)n2)CCNCC1 72475920 BUTRUBDVQYWFIY-UHFFFAOYSA-N 371.916 2.963 0 50 FFAA Cc1cc2c(NC[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)ncnc2s1 328610955 JSBYTARSNQXFAC-BLLLJJGKSA-N 370.482 2.673 0 50 FFAA COCCn1cc([C@H]2[C@H](CNCC(C)(C)C)CC(=O)N2C(C)(C)C)cn1 328605745 OYTGLPGSDFPFMA-MAUKXSAKSA-N 364.534 2.853 0 50 FFAA C[C@@H]1C[C@H]1COC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 230143984 TWHPKNPPMRVAII-CKNLXJGOSA-N 356.422 2.575 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)cc1F 72411565 UFHTWRRHBPWGSD-GOSISDBHSA-N 374.456 2.812 0 50 FFAA Cc1nc(CN2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)no1 72431513 VDLWWQZPGMTOJY-HXUWFJFHSA-N 354.454 2.783 0 50 FFAA COC(=O)c1cc(NC(=O)N2CCO[C@](C)(c3ccccc3)C2)cn1C 361311641 VXQNEQUMQNYDKE-IBGZPJMESA-N 357.410 2.591 0 50 FFAA CCn1c(SCCC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)nc2ccccc21 77566295 JZMAAGLPJLLHPU-WMLDXEAASA-N 358.511 2.701 0 50 FFAA Cc1csc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)n1 71279497 TYXSEJPGPMVLRL-UHFFFAOYSA-N 360.826 2.967 0 50 FFAA Cn1ccnc1[C@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)C1CC1 77375597 PLKBSVYWDBBELS-OAHLLOKOSA-N 350.382 2.534 0 50 FFAA O=C(COc1ncnc2ccccc12)N1CCCN(C2CCCCC2)CC1 219836363 JULYUKQNGCNSGB-UHFFFAOYSA-N 368.481 2.876 0 50 FFAA Cc1cc(C(=O)N2CCNC[C@H]2C(F)F)ccc1NC(=O)CC(C)C 367286484 LFNADVQOGRPVRV-HNNXBMFYSA-N 353.413 2.659 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)cn1 72410082 CZQOHCLAZLNFBM-UHFFFAOYSA-N 370.453 2.600 0 50 FFAA C[C@@H](Oc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1)C(=O)O 215301301 GKYBFZLBDKNKLB-QGZVFWFLSA-N 369.465 2.641 0 50 FFAA CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)O 236957127 MYPVEBJGBHGHMN-VHSXEESVSA-N 368.377 2.606 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CC2(CCC2)[C@@H]1C1CCOCC1 333437644 VUIOGQUCAMWBPJ-SFHVURJKSA-N 363.479 2.591 0 50 FFAA Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](CCC(=O)O)C3)C2=O)cc1C 237639273 XUDIVKFQVCOTQN-SJLPKXTDSA-N 372.465 2.760 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)C1 237965432 SQMFFWBQRWCGBI-ZBZNSMLMSA-N 370.449 2.930 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@@](C)(COC)C(=O)O)c1 262934833 KNTJIBIFOGVINE-FQEVSTJZSA-N 357.406 2.972 0 50 FFAA COc1cc(CNC(=O)[C@@H](C)NC(=O)c2cccs2)c2ccccc2n1 172854904 CUPUEWWRSKFAAA-GFCCVEGCSA-N 369.446 2.740 0 50 FFAA CCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cn1 240407352 FLNVOXMKUFOHPY-UHFFFAOYSA-N 353.419 2.876 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(Cc2cccnc2)CC1 82108571 RJZJSFVPPJZXKL-SFHVURJKSA-N 356.470 2.790 0 50 FFAA O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 195376279 FUQXPFOIRWTINH-AWEZNQCLSA-N 356.401 2.599 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 44908936 AQKNIOOKVBOJPT-UHFFFAOYSA-N 354.450 2.636 0 50 FFAA CCc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1S(N)(=O)=O 288696806 YFNMOLSOYGUXOZ-CQSZACIVSA-N 367.496 2.817 0 50 FFAA CCOc1cc(C)c(CN2CCn3nc([C@H](O)CO)cc3C2)cc1C(C)C 221160617 JFDLHHFYIMUHAX-HXUWFJFHSA-N 373.497 2.755 0 50 FFAA Cc1nnc(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)s1 220530101 IUYLDSTZXAMQCX-UHFFFAOYSA-N 359.430 2.761 0 50 FFAA O=C(CCn1ccnn1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 175622898 YLLQATXFCVHFIX-UHFFFAOYSA-N 367.497 2.716 0 50 FFAA O=C(NC[C@H](O)CN1CCCCC1)c1ccc(-c2cccc(F)c2O)cc1 426504157 YDNNUORGGJUXFI-KRWDZBQOSA-N 372.440 2.775 0 50 FFAA COc1cccc(CNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1 426642851 DJWRWZBYSPULAL-INIZCTEOSA-N 359.470 2.628 0 50 FFAA O=C(O)Cn1cnc(-c2ccccc2)c1-c1cnc(N2CCOCC2)s1 91626126 KONWFTAZRAAWFS-UHFFFAOYSA-N 370.434 2.595 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)o1 91655812 IROSINNBAFEQCS-QGZVFWFLSA-N 365.437 2.951 0 50 FFAA C[C@@H]1CN(C)CCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97635002 HHDJORADBKQHPP-MRXNPFEDSA-N 369.465 2.738 0 50 FFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3onc4c3CCCC4)CC[C@H]21 426383398 VUFAUXQSGLPUMY-WMLDXEAASA-N 359.470 2.807 0 50 FFAA Cc1ccc2oc(=O)cc(CN3CCN(CCc4ccncc4)CC3)c2c1 20720033 QXQSBNCROCQPGX-UHFFFAOYSA-N 363.461 2.857 0 50 FFAA biogenic CCNc1ncc(C(=O)N[C@H](CCn2ccnc2C)c2ccccc2)cn1 91473977 DIUCWMBNEATLIW-GOSISDBHSA-N 364.453 2.975 0 50 FFAA CCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 91486671 VVYFRBTYZOGYLY-UHFFFAOYSA-N 351.397 2.509 0 50 FFAA O=C1CCC2(CCN(C(=O)[C@H](O)c3ccc(F)cc3)CC2)CN1CC1CC1 91494149 XFRWPFYROGZFHT-LJQANCHMSA-N 374.456 2.500 0 50 FFAA COc1ncc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cn1 92045625 YVGFQBKMPZADLB-CYBMUJFWSA-N 351.410 2.779 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1csc(N3CCCC3)n1)C2 91736967 OEFOJBPREFIGJE-AWEZNQCLSA-N 373.478 2.619 0 50 FFAA c1cncc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)c1 92062497 YYLHQCYORPRKBI-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA COc1cc(CN2CCN3CCC[C@@H]3[C@H]2C)cc(Br)c1O 22575728 ARODFCGKXNCSMI-BXUZGUMPSA-N 355.276 2.832 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)n[nH]2)cc1 91706363 ZLSFEXSNJCUAIL-HNNXBMFYSA-N 365.437 2.834 0 50 FFAA O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1cccc2ccccc12 239425776 VFTCQLINGWUEGR-QJKRXZCLSA-N 365.385 2.519 0 50 FFAA COCc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)s1 91876825 INYVERAJESYTGF-LSDHHAIUSA-N 363.410 2.974 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccn3)CC2)no1 244719020 LVFBOIKRBBLDFV-SFHVURJKSA-N 368.437 2.594 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc([C@H]2C[C@@H](O)C2)ncn1 244633720 GIJRUCRNZFRAKY-AKAXFMLLSA-N 353.401 2.881 0 50 FFAA CN1CCC(CNC(=O)c2ccc3c(c2)OCO3)(c2ccccc2)CC1 252484858 GJPMAXDHUONZMI-UHFFFAOYSA-N 352.434 2.809 0 50 FFAA Cc1nccc(N2CCN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)CC2)n1 297532815 YCVFGNICEGXRGB-SAABIXHNSA-N 369.444 2.702 0 50 FFAA COC(=O)c1cccc(N)c1CN1CCN(c2c(C)cccc2C)CC1 52521446 IBBWSQHOBDVPGV-UHFFFAOYSA-N 353.466 2.994 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)COc1ccc2c(c1)OCO2 299754347 BZQIXJMPVGVZMR-RDJZCZTQSA-N 360.454 2.517 0 50 FFAA biogenic O=C(NCCC(=O)N1CC[C@@H](Oc2ccccc2)C1)c1ccccc1F 299788244 RGYLYVJXOYSLFK-MRXNPFEDSA-N 356.397 2.626 0 50 FFAA CCNC(=O)c1cccc(NC(=O)NCC[C@@H]2COc3ccccc3O2)c1 299777633 NFFJRXSEOXYQLW-MRXNPFEDSA-N 369.421 2.788 0 50 FFAA O=C(c1cccc(-c2ncccn2)c1)N1CCCN(Cc2cccnc2)CC1 299771121 ZYKOAWWACMRMSH-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c1C 823836605 WVUKSRCPZLWCOP-CQSZACIVSA-N 355.369 2.558 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCCc2nc(-c3ccccc3)no2)C1 886075691 XJYTZGCAIAIOPR-KSZLIROESA-N 356.470 2.511 0 50 FFAA C[C@H](NCc1ccc(OCC(=O)N2CCOCC2)cc1)C1=CCCCC1 952981153 CNJAQWOWSAGBKO-KRWDZBQOSA-N 358.482 2.903 0 50 FFAA CCCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc1Cl 952991048 ZJUQSHZVWWYEFI-HNNXBMFYSA-N 367.877 2.666 0 50 FFAA CC(C)[C@H]1CN(CCCOc2ccc(F)cc2)C[C@@H]1NC(=O)N(C)C 1565506549 HMPSPVSOUBMSAE-MSOLQXFVSA-N 351.466 2.822 0 50 FFAA COCCC(=O)N1CCC(Nc2ccc(Br)c(C)n2)CC1 273402418 WJBDOOMXCLPUCF-UHFFFAOYSA-N 356.264 2.592 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)o1 275419316 QZGBWIPXAWUSEL-OAHLLOKOSA-N 352.394 2.955 0 50 FFAA Cn1cc([C@H](O)C[C@H]2CCCN2CCCOc2ccc3c(c2)OCO3)cn1 170591258 WBAZDTMGZCQTLE-SJLPKXTDSA-N 373.453 2.506 0 50 FFAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)NCC(F)(F)F 170631837 VUFUZVFCCUXMTN-ZJUUUORDSA-N 369.384 2.608 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)CC(=O)Nc3cn(C)nc3C)c2)n1 1506418344 WXXDFJBWZFSCIF-UHFFFAOYSA-N 366.469 2.602 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCCN(Cc2ccsc2)CC1 1529194652 BGNCTGPLFLDSLC-UHFFFAOYSA-N 358.463 2.867 0 50 FFAA O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 1059296 JPFPIKVARSCUCV-MRXNPFEDSA-N 354.362 2.755 0 50 FFAA O=C(c1cnc(C2CC2)nc1O)N1CCC2(CC1)OCCc1sccc12 1704324832 FNAUEULXWBUXSR-UHFFFAOYSA-N 371.462 2.825 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1OC)NCC2 3127866 DDOOFRMJKAZGJS-HXUWFJFHSA-N 359.422 2.965 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC12CCOCC2 1775980634 FXUQGTGOKMIQAR-AWEZNQCLSA-N 371.355 2.588 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 11879531 LYLFKMWLQIBHOK-HNNXBMFYSA-N 368.481 2.787 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3cccc(F)c3)CC2)C1 12430346 GAYIABVHINHIKH-QGZVFWFLSA-N 359.489 2.781 0 50 FFAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 14959647 CREJPOFPELLSMK-GOSISDBHSA-N 355.486 2.560 0 50 FFAA CN(CC(=O)N[C@@H]1CCCN(CC2CCCCC2)C1)Cc1cccnc1 15066195 WYBAKPHWLQAMOP-HXUWFJFHSA-N 358.530 2.674 0 50 FFAA c1ccc(Cc2noc(-c3ccc(NC[C@H]4COCCO4)nc3)n2)cc1 19745255 YIONYVGOYVYLGQ-INIZCTEOSA-N 352.394 2.550 0 50 FFAA O=C(Cc1ccsc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772342 NTWAVUUTWKUWHV-UHFFFAOYSA-N 370.400 2.885 0 50 FFAA CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2904234 MDJBQVLOIZDMEV-UHFFFAOYSA-N 366.870 2.667 0 50 FFAA CNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 4750581 AYWULCAOLWFUSF-UHFFFAOYSA-N 371.418 2.810 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(N)=O 4840172 LQCAPJVZABYCLK-UHFFFAOYSA-N 372.490 2.737 0 50 FFAA COC(=O)c1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(C)n1 4858033 KEWBLYCEGCSAHH-UHFFFAOYSA-N 350.374 2.944 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O 1857529644 XZFFSKKIFLHQGM-KCXAZCMYSA-N 367.371 2.780 0 50 FFAA CCCOc1c(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc(Cl)cc1OC 1857669310 YVMUJHPPODACPS-HNAYVOBHSA-N 369.889 2.968 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@H]12 1857725687 IJSWEILKYAHINI-UHXUCMFUSA-N 364.829 2.514 0 50 FFAA CC(C)(C)OC(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)O 4534254 QYYCZJUFHDLLOJ-CQSZACIVSA-N 366.414 2.671 0 50 FFAA biogenic,in-vitro C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@](C)(C(=O)O)C1 237498437 QEQGPSIJJJPDES-BMIGLBTASA-N 356.216 2.540 0 50 FFAA Cn1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c(-c2ccccc2Cl)n1 375397272 JLROZLWSAJOYRR-NVXWUHKLSA-N 372.856 2.528 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)N(C)Cc1ccc(CN(C)C)cc1 843785317 OPXMVAMFQJONIA-KGENOOAVSA-N 365.477 2.884 0 50 FFAA Cc1nccn1-c1ccc([C@H](C)NCc2cnn3c2CN(C)CC3)cc1 952889437 CYOUZMWXQYADGG-HNNXBMFYSA-N 350.470 2.673 0 50 FFAA Cc1ccc2c(ccn2CCC(=O)N2CCC[C@@H](COCC(=O)O)C2)c1 1875286479 VGMBDOXIYDALEQ-MRXNPFEDSA-N 358.438 2.680 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCO[C@@H]3C(F)(F)F)ccc21 1875371728 KIJAPSAIYLXBDK-MRXNPFEDSA-N 354.328 2.513 0 50 FFAA C=CC(=O)NC[C@H]1CC[C@H](NC(=O)c2c(C)nc(C3CC3)nc2C)CC1 1875383064 FHIAKBIVAXCGGY-KOMQPUFPSA-N 356.470 2.562 0 50 FFAA CN1CCC[C@@H](CNc2ncnc3ccc(F)cc23)[C@@H]1c1cncn1C 886041333 KNZKQWGGXYMERO-SCLBCKFNSA-N 354.433 2.997 0 50 FFAA Cc1[nH]c2c(C(=O)NCc3nnc([C@H]4CCCOC4)o3)cccc2c1C 886095475 XPXZXFOXUCDAQV-ZDUSSCGKSA-N 354.410 2.992 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CCO[C@H](c2cccc(F)c2)C1 888076386 DCFNUJQNHUFUPY-KRWDZBQOSA-N 359.401 2.657 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCC(=O)N(C4CC4)C3)cc2)c1C 2325780331 ZBEQVITURBDOSW-HNNXBMFYSA-N 352.438 2.829 0 50 FFAA CCn1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccc1=O 2325782315 NFRNBBSQIOPBHN-UHFFFAOYSA-N 361.829 2.600 0 50 FFAA Cn1ccc([C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)c2ccccc2)n1 2325786427 KCQOEJMGZICUSK-GOSISDBHSA-N 364.453 2.822 0 50 FFAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cccc(-c3nc[nH]n3)c1)C2 2325803036 KEYBRERTHBOXKP-UHFFFAOYSA-N 361.449 2.732 0 50 FFAA Cc1c(CC(=O)N[C@H]2CCNC2=O)c(-c2ccccc2)nc2ccccc12 2325829678 PNCVNVKXFWBLIL-IBGZPJMESA-N 359.429 2.757 0 50 FFAA COc1cccc(Cl)c1C(=O)N1CC[C@@H](C2CC(NC(C)=O)C2)C1 2325849246 JJSJOMDWPUKIQE-IYXRBSQSSA-N 350.846 2.725 0 50 FFAA C[C@H]1CCCc2c(-c3nc(C4CCOCC4)nn3[C@H]3CCOC3)cnn21 2325849421 OZBKMHYAZTYXRH-ZFWWWQNUSA-N 357.458 2.894 0 50 FFAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 1049488 NJFYFUVXDNKJBB-SECBINFHSA-N 365.282 2.719 0 50 FFAA O=C(COc1ccccc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 1211782 GDHRMDVCGYHIQK-KRWDZBQOSA-N 364.323 2.953 0 50 FFAA Cc1ccc(C(=O)NCCCc2ccccc2)cc1N(C)S(C)(=O)=O 65363149 BKDMFCVDHVRIJZ-UHFFFAOYSA-N 360.479 2.753 0 50 FFAA CCCCOCC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67955811 QPSHVFOGDWWSNI-UHFFFAOYSA-N 356.422 2.992 0 50 FFAA Cc1cc(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(C)n1C1CC1 136358103 IJABLRDJGVVLPK-KRWDZBQOSA-N 353.470 2.971 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(F)c1 20998991 OVIKKSALAFRZGC-IBGZPJMESA-N 358.457 2.903 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1C 22932781 WEHZKLJHVGFHLK-IBGZPJMESA-N 360.502 2.572 0 50 FFAA CCOC(=O)COc1cccc2c(C)c(CCN(CC)CC)c(=O)oc12 22016634 ACOKGCWYTZVKIN-UHFFFAOYSA-N 361.438 2.928 0 50 FFAA NC(=O)c1ccnc(NCc2cccnc2N2CCc3ccccc3C2)c1 67867237 FPJCJFQLBSZCPF-UHFFFAOYSA-N 359.433 2.750 0 50 FFAA COc1ccc(-c2cc(C(=O)N(Cc3nccn3C)C(C)C)n[nH]2)cc1 67690492 YZYIJUXPRRVNKQ-UHFFFAOYSA-N 353.426 2.870 0 50 FFAA CC(C)=CCN1C[C@H](C2CC2)[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 219578404 IWHJKONHYANSFM-UXHICEINSA-N 358.530 2.762 0 50 FFAA CCn1cc(C(=O)Nc2ccc3c(c2F)CCNC3)c(C(F)(F)F)n1 423653139 OMJZLGNVAFMHGV-UHFFFAOYSA-N 356.323 2.959 0 50 FFAA Cc1ccc(Cl)c(OCn2ccc(C(=O)N(C)Cc3ccnn3C)n2)c1 2802654 PTTKUNQGKWPPJN-UHFFFAOYSA-N 373.844 2.887 0 50 FFAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 12448173 BKOOKNCYGRLVNV-GOSISDBHSA-N 356.470 2.742 0 50 FFAA Cn1ncc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1-c1ccccc1 362485772 LOFXKDJFBACENN-MRXNPFEDSA-N 360.417 2.943 0 50 FFAA C[C@@H](Cc1ccccc1)NN1CCN(N[C@H](C)Cc2ccccc2)CC1 71767067 SWRHIIJIZJJYGU-BGYRXZFFSA-N 352.526 2.876 0 50 FFAA c1nc([C@@H]2CCCO2)sc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 329649888 FMWMKUSZRGGFQF-FRRDWIJNSA-N 362.455 2.970 0 50 FFAA CN(C)CCC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 363536295 LNBFIUZSCAGTSF-FQEVSTJZSA-N 371.525 2.872 0 50 FFAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)N1CCCCC1)C2 72140416 ZJNKETKLOIIEPC-UHFFFAOYSA-N 366.469 2.569 0 50 FFAA CCCOc1cc(F)ccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 125643180 NTWWEXCCEZPCBI-HNNXBMFYSA-N 362.405 2.744 0 50 FFAA Nc1nccc(N2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)n1 77408272 KKIJFQPGLQXQLY-UHFFFAOYSA-N 371.872 2.731 0 50 FFAA Cc1csc([C@@H]2COCCN2C(=O)c2cc3ccccc3c(=O)o2)n1 369178510 LAQWHONLDQRDBE-AWEZNQCLSA-N 356.403 2.772 0 50 FFAA Cc1ccc2c(C(=O)N[C@H]3CCCC[C@H]3NS(C)(=O)=O)csc2c1 332286834 IQUCBPCRQPFMPS-LSDHHAIUSA-N 366.508 2.800 0 50 FFAA Cc1cc(C2CCC2)nc(NC[C@@H](c2cccnc2)N2CCOCC2)n1 71756879 RPIYUDVBYDKIFW-IBGZPJMESA-N 353.470 2.933 0 50 FFAA O=C(CN1CC[C@H](n2cc3ccccc3n2)C1)N1CCc2sccc2C1 371654096 FJPJOMNBOWZANZ-KRWDZBQOSA-N 366.490 2.930 0 50 FFAA COc1cc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ncn1 71738597 GXBOSKYTJKCIJQ-QGZVFWFLSA-N 372.444 2.888 0 50 FFAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)c2ccc3ccccc3c2)CC1 284460298 CPKGZDXIPWOKSO-RBUKOAKNSA-N 352.434 2.582 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)c1 284479803 AJXAVCGNQMFMKB-HXUWFJFHSA-N 356.470 2.529 0 50 FFAA Cc1cc(NS(=O)(=O)c2cn(C)nc2C)cnc1N1CCCC[C@H]1C 288513993 FWQVBHJGDITNRC-CYBMUJFWSA-N 363.487 2.612 0 50 FFAA CC(=O)c1ccccc1-c1ccc(C(=O)NC[C@@H](O)CN2CCCC2)cc1 426667319 FRTPJBSXGBFTDO-LJQANCHMSA-N 366.461 2.743 0 50 FFAA COc1ccc(CCNC(=O)N2CCC(c3cc[nH]n3)CC2)c(OC)c1 426538484 XGKMMTVCKIEOSC-UHFFFAOYSA-N 358.442 2.559 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2ccccc2C(=O)OC)c1 426424386 RBNBRKGTYHQYEZ-CQSZACIVSA-N 368.433 2.737 0 50 FFAA CC1(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CCNCC1 220021077 NWOBHKIVJYDNED-GXOAENINSA-N 353.466 2.553 0 50 FFAA O=C(NCC1CCN(CCc2ccccc2)CC1)NCC1(O)CCCCC1 426562803 BRUKWPTVJLIAEX-UHFFFAOYSA-N 373.541 2.936 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3onc4c3CCCC4)CCO2)cc1 426534128 XALYGUAHNKTJNS-MRXNPFEDSA-N 356.422 2.646 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C12CCC2 160541414 OROIFRRWOUFPOM-LSDHHAIUSA-N 373.478 2.632 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)NCCSc1nccn1C 426370911 FWGOPOMIXQWPSN-INIZCTEOSA-N 373.526 2.680 0 50 FFAA CNC(=O)C(C)(C)NC(=O)c1ccc(-c2cc(OC)ccc2OC)cc1 426575020 NLWYIZPNBVCMEK-UHFFFAOYSA-N 356.422 2.625 0 50 FFAA CCc1nc(C)sc1CN1CCN(C)[C@]2(CCC(=O)N(CC)CC2)C1 91440340 LZYWAALOILWUOZ-IBGZPJMESA-N 364.559 2.533 0 50 FFAA Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239433757 YKLKQIKUUSJQGC-GYYKNPCSSA-N 365.429 2.652 0 50 FFAA OC[C@H]1CN(CCc2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 97797607 VCSCPCTWFYPFSI-HXUWFJFHSA-N 368.525 2.549 0 50 FFAA COc1ccccc1OC[C@@H](C)NC(=O)c1cn(C)c2ccccc2c1=O 97601174 FUDVCZOVJZPXPT-CQSZACIVSA-N 366.417 2.744 0 50 FFAA Cc1cc(CC(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)on1 95522815 YOVFZIGMARQRCZ-IBGZPJMESA-N 355.482 2.939 0 50 FFAA CCn1cc(CN(C)C(=O)c2ccc(-c3c[nH]c(C(=O)OC)c3)cc2)cn1 426435026 VFLQQKMQGCUUEN-UHFFFAOYSA-N 366.421 2.957 0 50 FFAA COc1cccc(-c2ccccc2NC(=O)N2CCOC[C@H](CO)C2)c1 96133316 DLDZLZZYBCHQBB-HNNXBMFYSA-N 356.422 2.835 0 50 FFAA COc1cccc(CCNC(=O)C2CCN(Cc3ccco3)CC2)c1OC 95373920 IAWIEHVTNDVWQM-UHFFFAOYSA-N 372.465 2.868 0 50 FFAA O=C(NCc1cc(-c2ccccn2)no1)[C@H]1CCCN(Cc2ccco2)C1 95355442 DNUMIPOUWWHOSZ-HNNXBMFYSA-N 366.421 2.858 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)Cn3nc(C)c(C)c3C)CC2)CC1=O 91997119 OHCUEKYXPKUCOZ-UHFFFAOYSA-N 372.513 2.616 0 50 FFAA O=C1C[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)C2(CCCC2)O1 97547809 DUDMHQNMCYWYFP-HNNXBMFYSA-N 357.406 2.782 0 50 FFAA CN1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 95372600 MNAPATNOJRMKAS-KRWDZBQOSA-N 364.921 2.644 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(CCC(F)(F)C(F)F)C2 91769206 XEWDJKKMPINFSQ-CHWSQXEVSA-N 359.367 2.909 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2CCCCCC2)CC1 91585952 GYSXGAKCUJCJOZ-UHFFFAOYSA-N 370.501 2.736 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2cc(C(F)(F)F)nn2C)N(C)C)cc1 97495531 ZYSYVMNKWAHSAQ-CQSZACIVSA-N 354.376 2.780 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCc2nc3ccccc3[nH]2)c1 97506129 YGCANDWXAWQLNY-UHFFFAOYSA-N 361.405 2.934 0 50 FFAA CN1CC[C@@H](N(C)CCC(=O)N2CCC(CCc3ccccc3)CC2)C1 91426462 BSWYGFAQEJGVPH-OAQYLSRUSA-N 357.542 2.884 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cccc(F)c1)C2 91998189 CFBOGLQZYZSUPN-PKOBYXMFSA-N 370.472 2.913 0 50 FFAA CN(CCCOc1ccccc1Cl)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244601846 DSTVBDNJCCTGHW-OKILXGFUSA-N 363.893 2.574 0 50 FFAA CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cc(=O)[nH]1 182154888 KNMITJQDNJSOGM-SFHVURJKSA-N 366.417 2.906 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)Nc1ccccc1OC[C@H]1CCCO1 299767088 CHYLTUDXHLJHSS-CQSZACIVSA-N 374.466 2.868 0 50 FFAA Cc1cnc(-c2cccc(C(=O)N(C)Cc3cc[nH]n3)c2)nc1N(C)C 299769567 YEONOBFHFWQRGB-UHFFFAOYSA-N 350.426 2.513 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCN(C(=O)c2cccs2)CC1 828166480 MUTGPJOWIGJWGH-UHFFFAOYSA-N 373.478 2.535 0 50 FFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1C1(O)CCN(C)CC1 822888887 RKVOCNZQZALLJO-UHFFFAOYSA-N 358.486 2.591 0 50 FFAA Cc1ccc(CN(C)Cc2ccccc2OCCN2CCN(C)CC2)o1 952982281 YLWZNXXWHNNAFD-UHFFFAOYSA-N 357.498 2.846 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cn1 1565527975 VZCRXWDTSDSTHG-CTNGQTDRSA-N 364.493 2.954 0 50 FFAA O=C(C1CCC1)N1CC[C@@]2(O)CCN(Cc3cccc(F)c3F)C[C@H]2C1 1565508362 AHZIELNBTCHJLW-JXFKEZNVSA-N 364.436 2.550 0 50 FFAA COc1ccc(F)cc1CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 274978612 LXVPLVMUGQYAJV-UHFFFAOYSA-N 366.433 2.893 0 50 FFAA Cc1nc(-c2cccnc2)nc(N[C@H](C)C(=O)NCc2ccco2)c1C 170652839 QUYIQOCPLPFUCY-CQSZACIVSA-N 351.410 2.865 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)NCc2noc(-c3cccc(F)c3)n2)c1 170619798 NGCBTVBFQIUPMZ-UHFFFAOYSA-N 365.361 2.802 0 50 FFAA O=c1ccc(-c2ccccc2)nn1CCN[C@H]1CCN(c2ccccc2)C1 1506420568 JKYSYEOEPCNCBC-IBGZPJMESA-N 360.461 2.779 0 50 FFAA O=C1O[C@H]2CN(Cc3c(F)ccc(F)c3F)C[C@H]2N1Cc1ccccn1 206178632 FAXNEPHLGSKBKF-CVEARBPZSA-N 363.339 2.704 0 50 FFAA Cc1nn[nH]c1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339542 LMNMJMLIQRVCDV-NRFANRHFSA-N 374.448 2.690 0 50 FFAA Cc1ccc(C(F)(F)F)cc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704336698 KGILFGJWSORFIS-RHSMWYFYSA-N 351.372 2.839 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4ccccc43)C2=O)cc1 1109292 VASGOFNAGZNLGG-GOSISDBHSA-N 364.401 2.558 0 50 FFAA CCc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 1129166 CKYQUZSEGANOPB-AWEZNQCLSA-N 356.403 2.766 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CN(Cc3nc4ccccc4[nH]3)CC[C@@H]21 1775980850 CUTOTEPHZHBWAN-KXBFYZLASA-N 351.454 2.874 0 50 FFAA Cc1nc(CN(C)C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)no1 1772811564 ZDVZBBYBRGRSHV-ZDUSSCGKSA-N 369.450 2.660 0 50 FFAA Nc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)c(Cl)c1 11690544 KTSCVFSVSYMGAM-UHFFFAOYSA-N 352.181 2.679 0 50 FFAA O=C(NCCCc1ccccn1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11938639 BWAXATSVGRJUOU-SFHVURJKSA-N 357.498 2.949 0 50 FFAA COc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 5049745 BAWQBCUHBNBPHS-UHFFFAOYSA-N 363.211 2.826 0 50 FFAA COCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 6088605 WOPPPJWMLAEISX-UHFFFAOYSA-N 369.826 2.944 0 50 FFAA CCOc1cccc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 4301551 OZOLXIGQXLGJDO-HNNXBMFYSA-N 363.435 2.508 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CC(=O)N(c2nccs2)C1 1857670287 FWSYRVJHEWZEBT-LBPRGKRZSA-N 372.425 2.775 0 50 FFAA CC(C)(CO)NC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696634 JWDFFWXXQVCRLV-LLVKDONJSA-N 351.834 2.585 0 50 FFAA COc1ccc2cc(-c3nccn3[C@H]3CC(=O)N(C(C)C)C3)c(O)nc2c1 1857704173 GWAQESGMCWQQPZ-AWEZNQCLSA-N 366.421 2.994 0 50 FFAA CCCNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1cncnc1 1857716989 HSCSAXLVMYOMFL-TUNNFDKTSA-N 364.493 2.969 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCCn1c(C)cccc1=O 1857729633 FGLKWPRWNGLARB-UHFFFAOYSA-N 350.422 2.675 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(N(C)C)nc1 377108786 SHHCQTSJBHNITA-CYBMUJFWSA-N 354.458 2.614 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ncccc2OC(C)C)C3)o1 952851313 IDLNGSNOQLGZHS-LIRRHRJNSA-N 356.426 2.754 0 50 FFAA CC[C@H](NS(=O)(=O)c1cn(CC)nc1C1CC1)c1c(C)nn(C)c1C 1875289795 PENLQNZXUXYBSD-AWEZNQCLSA-N 365.503 2.560 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2)C1 1875371277 VUKQVDOWAZZGTH-IRXDYDNUSA-N 373.472 2.644 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)C24CC(CN)(C2)OC42CCC2)C3)cc1 1875405603 KMFMYRYKSOKQLS-RCKXYERXSA-N 352.478 2.526 0 50 FFAA O=C(NC[C@]1(CN=c2cnc(F)c[nH]2)CC12CCC2)[C@@H]1CCC[C@H]2C[C@H]21 1875408423 WHKXETUXLKMRLW-LYKCQVCGSA-N 358.461 2.562 0 50 FFAA O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@H]1C[C@H]2CC[C@H]1NC2 886093898 KAQISRMGMHQJAU-SCDSUCTJSA-N 365.359 2.613 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc3n(n2)CCCO3)C(F)F)cc1F 888092647 OFKZJUNEIGRQDR-CQSZACIVSA-N 355.316 2.550 0 50 FFAA CC[C@@H](SC)C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccco2)C1 2325794137 RPGJNXQTVFOSLF-IXYNUQLISA-N 352.500 2.926 0 50 FFAA CC1(C)C[C@@H](CC(N)=O)N(c2ncnc3cc(Br)sc23)C1 2325854492 GRQOHXKIENQTBM-MRVPVSSYSA-N 369.288 2.934 0 50 FFAA O=C(Cc1cc(C2CC2)on1)N[C@H]1CCC[C@H](NC(=O)CC2CCC2)C1 2325868229 SSFGCZDNHCZVTC-HOTGVXAUSA-N 359.470 2.828 0 50 FFAA CCN(C(=O)[C@@H]1C[C@H]1C)[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325875906 FKVZTPMKGSBTIQ-ZTFGCOKTSA-N 351.450 2.954 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)C1 2325889453 RCSHEFHRPJMVJJ-GHTZIAJQSA-N 370.493 2.692 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc(C)nc4c3c(C)nn4C)C[C@H]21 2356165686 GFKUQYRSHJGFHF-NBQZKYEYSA-N 356.470 2.598 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c(OC)c1 6701413 ZISQBLAMJKERJB-UHFFFAOYSA-N 355.438 2.708 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 101357960 ZMXYCMLPIJUOQE-UXOAXIEHSA-N 357.793 2.828 0 50 FFAA O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1 8670574 NOGNUSXEEBWYGM-INIZCTEOSA-N 352.390 2.943 0 50 FFAA Cc1cc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC[C@@H]2C)on1 55224949 IEZMTENGXBFVPL-ZDUSSCGKSA-N 356.426 2.642 0 50 FFAA CCC(CC)CN1CCN(CC(=O)Nc2cccc3nsnc23)CC1 22752184 SNJIDJUFKSDSKU-UHFFFAOYSA-N 361.515 2.684 0 50 FFAA O=C(Cc1nc2ccccc2o1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 20294759 JHVMQKFBBPOPDW-FQEVSTJZSA-N 359.389 2.663 0 50 FFAA Cc1cc(C)n(C)c(=O)c1-c1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 67714101 BPEQYSAFHMOOQQ-FQEVSTJZSA-N 369.396 2.898 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(C)ccc2C)C1 106231776 KWDPPVUELUZPKF-CVEARBPZSA-N 352.500 2.542 0 50 FFAA COc1cc(OC)c(OC)cc1CN[C@@H]1CCCN(Cc2ccccn2)C1 20994613 VSDOSLBSQWVDPZ-GOSISDBHSA-N 371.481 2.862 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccccc1F 67434576 HAXWRQWBRZDSOC-JOCHJYFZSA-N 370.468 2.902 0 50 FFAA Cc1ccc(Sc2ccc(CN3CCC4(CC3)NCCNC4=O)o2)cc1 67934438 XCONVKTZSHWIQT-UHFFFAOYSA-N 371.506 2.793 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 12053206 RTSICOKOQFFNET-ZWKOTPCHSA-N 358.438 2.708 0 50 FFAA Cn1nc([C@H]2CCCN(CCc3ccccc3)C2)n(-c2ccccc2)c1=O 67896152 KMEQJDHUKCBECA-IBGZPJMESA-N 362.477 2.993 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 229687905 CRXJZOMHCBQMMP-SOLBZPMBSA-N 355.482 2.811 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)n(C)n1 252505071 VNQROMCARHUZRL-HNNXBMFYSA-N 374.464 2.943 0 50 FFAA Cc1c(Br)cnn1[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 2802177 QCFAJDDMHFUJOZ-JTQLQIEISA-N 366.215 2.925 0 50 FFAA Cc1cc(N)n(CC(=O)NCc2cc(COc3ccccc3)cs2)n1 216298373 AOPKUCSCHWLWQD-UHFFFAOYSA-N 356.451 2.731 0 50 FFAA O=C(CCn1cnc2ccccc21)NC[C@@H](c1ccco1)N1CCCC1 72853746 MNTNQQGPNALHNK-SFHVURJKSA-N 352.438 2.973 0 50 FFAA CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@H]1CCC[C@H]1S(C)(=O)=O 252667367 CWOCPPNULIOJQU-ZWKOTPCHSA-N 374.591 2.805 0 50 FFAA CCc1n[nH]c(C(=O)N2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)c1C 71746246 HXBZJLJLATVGMU-QGZVFWFLSA-N 368.481 2.934 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCCO[C@@H](CN2CCCC2)C1 215240554 IRXIFXRBEPQUCZ-KRWDZBQOSA-N 370.415 2.961 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 72437954 BPSJBVJNXPVUHQ-UHFFFAOYSA-N 364.384 2.993 0 50 FFAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccco2)CC1 35624683 AJZCDOFWZQMANM-UHFFFAOYSA-N 356.447 2.939 0 50 FFAA CN(CC[C@H]1CCCCO1)c1nc(-c2ccncc2)nc2c1cnn2C 72145293 PDEXNVHXGUDQRC-OAHLLOKOSA-N 352.442 2.821 0 50 FFAA Cc1ccsc1-c1nc(CN2CCc3c(c(CO)nn3C)C2)c(C)o1 71760311 AVOKZXSMRPLDOG-UHFFFAOYSA-N 358.467 2.804 0 50 FFAA COc1cccc([C@H]2CCCCN2C(=O)CSc2nnc(N)s2)c1 215545434 UMSGOVVOQFTURD-CYBMUJFWSA-N 364.496 2.975 0 50 FFAA Cc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)cs1 328649377 VBRNYHWAPIUPIZ-OAHLLOKOSA-N 373.526 2.948 0 50 FFAA O=C(C1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)N1CCCC1 77457776 AWVXEQRLNRXNLI-UHFFFAOYSA-N 356.445 2.846 0 50 FFAA C[C@@H](NC(=O)c1cccnc1S)[C@H](O)c1ccc(Br)cc1 154130160 OZOANJQUIQLCCD-RNCFNFMXSA-N 367.268 2.985 0 50 FFAA CN1CCN(CCOc2ccccc2CN(C)C2CCSCC2)CC1 216053515 DUPNJFLORTTZAC-UHFFFAOYSA-N 363.571 2.640 0 50 FFAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2cnc(N)nc2)C1 15079240 UNFJXHPFZBSSEH-GOSISDBHSA-N 353.514 2.754 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2)OC1=O 77341559 OQMVLLMLIAHYJZ-SJORKVTESA-N 365.518 2.898 0 50 FFAA COCCn1cc2c(n1)[C@@H](NC(=O)Cc1c[nH]c3ccccc13)CCC2 374763318 RPMUZTJHBJWSLJ-SFHVURJKSA-N 352.438 2.747 0 50 FFAA O=C(c1cncc(Br)c1)N1CCNC[C@H]1c1cccc(F)c1 261718748 FAJHCYMNEBXKEP-HNNXBMFYSA-N 364.218 2.770 0 50 FFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2nsnc2c1 13324508 CIXKUPSNBHBFND-UHFFFAOYSA-N 371.441 2.591 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cn(C[C@@H]2CCCNC2)nn1 215689909 RKDMFPCBHTUJMH-CQSZACIVSA-N 373.888 2.740 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C2CC2)nc2ccccc12 219927414 ZWTSSOFOJJKWDF-NBPAUJCUSA-N 352.434 2.892 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNCC1(O)CCOCC1 237772484 XEWQBZXEPJGFIZ-UHFFFAOYSA-N 353.825 2.604 0 50 FFAA Cn1ncc2c(N[C@@H]3CCN(c4ccccc4Br)C3)ncnc21 171944779 DBKXQQSZQZXXCK-LLVKDONJSA-N 373.258 2.817 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CCCC4(CCNCC4)CC3)n2)c1 72406856 OWEJJVILLPGJQH-UHFFFAOYSA-N 367.453 2.597 0 50 FFAA CNc1cc(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)ccn1 48214403 ZUAQHMNGAVSTDT-UHFFFAOYSA-N 363.421 2.624 0 50 FFAA CC[C@@H]1CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 173612094 UHVAXTFEYOPGRG-OAHLLOKOSA-N 374.462 2.706 0 50 FFAA CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccccc2F)ccc1=O 40287098 OZSQMACFLRBROQ-UHFFFAOYSA-N 351.381 2.708 0 50 FFAA CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225788696 VWFCAVRTTGYKGQ-MQYQWHSLSA-N 366.211 2.604 0 50 FFAA CCNC(=O)C[C@H]1CCCCN1Cc1noc(-c2ccc(F)cc2F)n1 284874607 SQVBRTKLVPVZIV-CYBMUJFWSA-N 364.396 2.896 0 50 FFAA O=C(NCc1nc2c(s1)CCCC2)N1CCOc2ccc(CO)cc2C1 426479617 BUNZDCJCEKVFRF-UHFFFAOYSA-N 373.478 2.618 0 50 FFAA COc1ccccc1N1C[C@@H](C)N(C(=O)CCc2ccsc2)CC1=O 82108550 QFYVHKYUWVUPFN-CQSZACIVSA-N 358.463 2.953 0 50 FFAA Cc1ccc([C@@H](NC(=O)CN(C)C2CCN(C)CC2)c2ccncc2)cc1 221327382 GTNLZHVMSIYLGN-JOCHJYFZSA-N 366.509 2.622 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(F)ccc1OCCN 426722416 JBZUYXNSDQDUHY-UHFFFAOYSA-N 368.412 2.587 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2cccc([C@H](C)O)c2)cc1 426488024 OCCWAOXERCAMIL-AWEZNQCLSA-N 361.463 2.571 0 50 FFAA O=C(NCC[C@H]1CCCCN1)NCC1CCN(CCc2ccccc2)CC1 426485527 BINVICOCIIYAIO-OAQYLSRUSA-N 372.557 2.773 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)c2cnc3ccnn3c2C)s1 97173152 NNIXFJUGMOZWSP-UHFFFAOYSA-N 357.483 2.612 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1cccc([C@H]2CCCNC2)c1 95380711 VDIIZAXDKMWBFV-SFHVURJKSA-N 363.465 2.559 0 50 FFAA OCCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 95511640 CKXXCIBYPHMFLA-QHCPKHFHSA-N 372.553 2.729 0 50 FFAA COc1nccnc1N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95361404 QOAMNIARXBEKPQ-CYBMUJFWSA-N 356.455 2.571 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95390419 MPOVOFOEWHOMPO-FUHWJXTLSA-N 365.433 2.547 0 50 FFAA O=C(NCC(F)(F)F)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95522042 TZZUMZALFLZBBS-UHFFFAOYSA-N 370.371 2.759 0 50 FFAA O=C(NCCOc1ccccc1Cl)c1cnc(-c2cccnc2)nc1O 91550926 AJVADWOOBRNNEV-UHFFFAOYSA-N 370.796 2.706 0 50 FFAA COc1nc2c(cc1C(=O)NCc1nncn1C1CCCCC1)CCC2 91987995 NPVNYGQBQUCYPW-UHFFFAOYSA-N 355.442 2.606 0 50 FFAA CN1CCC[C@H](CCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)C1 95390380 JEZAOJISJQKWFY-QGZVFWFLSA-N 369.509 2.645 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)c1cc(C(=O)NC2CC2)ccn1 95377874 UZGACHPZNPTJTN-UHFFFAOYSA-N 365.412 2.935 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C(=O)O 91643581 DOIMNMRXLGTORE-ZWKOTPCHSA-N 356.422 2.859 0 50 FFAA Cc1nc(C(=O)NC(C)(C)c2ccccc2Br)c(=O)[nH]c1C 180751091 JISQRPGNGSYKTL-UHFFFAOYSA-N 364.243 2.814 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(F)F)CC2(CCOCC2)O1 296744393 LYLOICSTJSXOGA-UKRRQHHQSA-N 354.397 2.972 0 50 FFAA O=C(Nc1ccncc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 253388001 GINCQSBPFPNGBI-WKILWMFISA-N 373.478 2.805 0 50 FFAA Clc1cc(CN2CCN(Cc3cccnc3)CC2)cc2c1OCCO2 183667245 BCVWIOBRSYQTNN-UHFFFAOYSA-N 359.857 2.824 0 50 FFAA CCOc1ccc(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)nn1 534661199 YUVODEFHNCEYAA-UHFFFAOYSA-N 351.410 2.548 0 50 FFAA Cn1ncc2ncc(C(=O)NCCCc3nc4ccc(Cl)cc4[nH]3)cc21 1940197953 DJKAIBXZWDBTDZ-UHFFFAOYSA-N 368.828 2.861 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)CCc3c(C)noc3C)n2)cc1 299799236 QBCIZKUZYYOQRJ-UHFFFAOYSA-N 354.410 2.941 0 50 FFAA O=c1c2cc(-c3ccccc3)sc2ncn1C1CCN(CCO)CC1 584897847 CHFNGNSBOJDEMY-UHFFFAOYSA-N 355.463 2.754 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N(Cc1ccccn1)C[C@@H]1CCCO1 952978481 ZYSUCXLYAIDPTN-SFHVURJKSA-N 363.421 2.688 0 50 FFAA CCNC(=O)N1CCC(NC(=O)COc2ccccc2[C@@H](C)CC)CC1 952872003 GOKVIBSFHNTLGO-HNNXBMFYSA-N 361.486 2.889 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)Cc1nccn1CC(F)(F)F 270733578 VHHZOHCEGXYQCN-SNVBAGLBSA-N 357.380 2.938 0 50 FFAA CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(F)cc(Br)c2)C1(C)C 191766535 IPJLNDFFLFPHBM-XJKSGUPXSA-N 374.250 2.884 0 50 FFAA COc1ccnc(N2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)n1 194832952 YAEPMWYWKTTWGM-UHFFFAOYSA-N 351.410 2.822 0 50 FFAA CC1(C)[C@@H](OC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@@H]2CCCO[C@H]21 741751910 IPNCSJKRPZRPSZ-ZMYBRWDISA-N 359.422 2.697 0 50 FFAA Cc1ccc(N2CCC(N[C@@H](Cc3cnc[nH]3)C(=O)O)CC2)cc1Cl 1506428277 OOBWCHLQXOLLHF-KRWDZBQOSA-N 362.861 2.626 0 50 FFAA Cc1ccc(O)cc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529133675 VNQHUEYCHMVOSB-YLJYHZDGSA-N 352.434 2.599 0 50 FFAA CN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704300621 ZUJGNPNFTOUKTL-VNHYZAJKSA-N 372.856 2.717 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]12 1704299658 PEUOCRKUPXIOGK-PBHICJAKSA-N 370.371 2.717 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(C)=C\c2ccccc2)cc1 1128415 GSHFFUIOCLWODO-SEYXRHQNSA-N 358.419 2.553 0 50 FFAA COc1ccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)cc1OC 798790 ZKSNPMGYZLVTRC-ZDUSSCGKSA-N 366.464 2.876 0 50 FFAA CCOC(=O)[C@@H](C(=O)c1ccncc1)[C@@H](C(=O)OCC)c1ccccc1 3130212 MGKGXPHYXFHGHM-DLBZAZTESA-N 355.390 2.791 0 50 FFAA CCCc1nc(N2CCCN(C(=O)CCc3ccccc3OC)CC2)no1 1772805202 JMOIETWZMXYQBG-UHFFFAOYSA-N 372.469 2.702 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)C1 11879943 CAHDFANXIIROTH-OAHLLOKOSA-N 372.421 2.955 0 50 FFAA Cc1ccc(F)c(CNC(=O)c2cn(Cc3ccccc3F)nn2)c1F 14954141 OPHOXEHJOFYFAJ-UHFFFAOYSA-N 360.339 2.982 0 50 FFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccncc4)n3n2)cc1C 169778603 DIYABVBJSOYDMK-UHFFFAOYSA-N 358.405 2.733 0 50 FFAA CCOC(=O)C1CCN(C(=S)Nc2cc(OC)ccc2OC)CC1 986448 RYQUMDRJODVDEY-UHFFFAOYSA-N 352.456 2.676 0 50 FFAA Cc1nc(NC(=O)c2ccc(-n3cnnc3)cc2)ccc1Br 6702708 NAMUFTGQHYJYLS-UHFFFAOYSA-N 358.199 2.986 0 50 FFAA Cc1nc2ccccc2n1CCNC(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1857527238 PMVNZRRHRWUWHL-OLZOCXBDSA-N 367.453 2.530 0 50 FFAA Cc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)nc(C)n1 1857675843 GFSPZYSBNCUIPB-DSKINZAPSA-N 351.450 2.692 0 50 FFAA O=C([C@H]1CCn2nccc2C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1857711262 QNNZFSXFOYWLLA-AWEZNQCLSA-N 367.428 2.867 0 50 FFAA Cc1cnn(CC(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)c1 253599836 YDHXHNWTWJAHIS-RTWAWAEBSA-N 366.509 2.747 0 50 FFAA CNC(=O)c1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 365832169 VIQVFAWJYLFSAR-JOCHJYFZSA-N 352.478 2.863 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccncc2F)C1 491454883 BZWFSDLGIIXXHW-JTQLQIEISA-N 356.323 2.993 0 50 FFAA CCC1(O)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 266163919 PMESPANJAANEDN-SFHVURJKSA-N 358.482 2.611 0 50 FFAA Cc1cc(F)cc2[nH]c(C(=O)N[C@H](C)c3ccc(OCC(N)=O)cc3)cc12 1875260442 FUQYFQUFJCAPDT-GFCCVEGCSA-N 369.396 2.971 0 50 FFAA COC(=O)[C@@H](C1COC1)N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 1875302077 YZHLDMZOJGNKQF-MEDUHNTESA-N 373.371 2.845 0 50 FFAA O=C(Cc1cccc(C2CC2)c1)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402259 DBIVDSLXAAEMFU-GDIGMMSISA-N 373.884 2.912 0 50 FFAA CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncncc1OC 1875405699 MKSMZGXSGHRTSI-ULQDDVLXSA-N 358.486 2.881 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cccc3cccnc23)C1 886077759 FKUDGPFKQIPYKY-OTWHNJEPSA-N 353.466 2.535 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nncn2-c2ccccc2)C1 888102648 CYIKSQZTGSPUGO-SJORKVTESA-N 352.442 2.569 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(O)=Nc2nc3ccccc3n21 9016160 MEGOGTOLMYHVST-AWEZNQCLSA-N 364.361 2.979 0 50 FFAA NS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 1510324 LJADMHJAWQCZPP-UHFFFAOYSA-N 367.839 2.849 0 50 FFAA CN(C)[C@@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccc(Cl)cc1 2325728777 XKOAPHZCWDQASV-INIZCTEOSA-N 357.845 2.654 0 50 FFAA C[C@@H]1C[C@H]1c1noc(CC2CCN(Cc3nc4ccncc4n3C)CC2)n1 2325809263 VVVICALPWKWJFT-UKRRQHHQSA-N 366.469 2.929 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc4cccnc4c3)C2)ccn1 2325870911 ULBNEIHUXYSJMY-GOSISDBHSA-N 360.417 2.583 0 50 FFAA Oc1ncnc2ncc(NCc3cc(Br)ccc3F)nc12 2325879220 MZBBOUTVTRSNKQ-UHFFFAOYSA-N 350.151 2.639 0 50 FFAA CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 827586 MNFLSUZGQQQKDC-UHFFFAOYSA-N 363.435 2.762 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 1144258 VEIRPZLOIVNHIX-UHFFFAOYSA-N 354.834 2.990 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cn(-c3ccccc3)nc2C)CC[C@H]1O 2356156336 WOFXABKZLMWILF-UYAOXDASSA-N 357.454 2.618 0 50 FFAA COc1ccc(C(=O)Nc2ccc(I)cn2)cc1 4843224 GHLCAJHQSBWPGO-UHFFFAOYSA-N 354.147 2.947 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 248377177 FVGNVHWZPYYLBR-KXBFYZLASA-N 367.449 2.542 0 50 FFAA CCc1oc(C(=O)N2CC[C@@H](N(CC)C(C)=O)C2)cc1CN(CC)CC 55211702 SEFSNJGDHTYVNL-QGZVFWFLSA-N 363.502 2.767 0 50 FFAA Cn1c([C@@H]2CCCN2C(=O)CC2=CSC3=NCCN23)nc2ccccc21 102457686 WCWWFNFJWVAXMB-INIZCTEOSA-N 367.478 2.887 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(NCCc3cnccn3)n2)cn1 55383314 FMOMOXSMJYMPAT-UHFFFAOYSA-N 373.420 2.783 0 50 FFAA Cc1ccc(C[C@H](C)NC(=O)NCc2ccccc2S(C)(=O)=O)s1 413306926 ZRUQQYDOVJGRFJ-LBPRGKRZSA-N 366.508 2.890 0 50 FFAA c1coc(CN(CCN2CCOCC2)Cc2nc3c(s2)CCCC3)c1 55325867 BIBONVUSAKSGTB-UHFFFAOYSA-N 361.511 2.949 0 50 FFAA COc1ccc(CCn2c(C)c(C)c3c2ncn2ncnc32)cc1OC 9341469 VVWAMWBHZJOEEO-UHFFFAOYSA-N 351.410 2.956 0 50 FFAA CC(C)N1CCC(N2CCN(C/C=C/c3ccccc3)C[C@@H]2CCO)CC1 22932819 OSXYHEPJAQKDCX-CJHOVAGGSA-N 371.569 2.941 0 50 FFAA CCCOc1cccc(CCNS(=O)(=O)c2c[nH]c3ncccc23)c1 135542626 QHDRKHXBZNQSNH-UHFFFAOYSA-N 359.451 2.873 0 50 FFAA CC(C)NC(=O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 20427171 WATVZHLQRHPIFU-UHFFFAOYSA-N 361.417 2.978 0 50 FFAA CCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1)C(C)C 72157783 ZTCZRUVDRGADQR-IBGZPJMESA-N 359.514 2.723 0 50 FFAA Cc1ccc(CN2CCNCC2)cc1NC(=O)CNc1ccc(F)c(F)c1 22454014 GRUWKTIRBBPZSD-UHFFFAOYSA-N 374.435 2.729 0 50 FFAA in-vitro CCNc1cc(C)nc(NCCNC(=O)c2ccc(F)cc2Cl)n1 67620548 HSJBEEXZORSRNX-UHFFFAOYSA-N 351.813 2.851 0 50 FFAA COCCN1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C[C@@H]1C 229814229 CKMVCDHJYHDTJQ-PXNSSMCTSA-N 360.498 2.866 0 50 FFAA Cc1cc(C)n2nc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)nc2n1 970383 ALQZQWQUEINUQC-UHFFFAOYSA-N 372.237 2.849 0 50 FFAA CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccc(Cl)cn3)C2)no1 331475564 SIVNBIPMPRSLHP-ZDUSSCGKSA-N 363.849 2.588 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3ccc4cccnc4c3O)C2)CCC1=O 72409252 QBWTYNXYVMXUHK-OAQYLSRUSA-N 367.449 2.805 0 50 FFAA Cn1cc(C(=O)NCc2cccc3c2OCCCO3)c2ccccc2c1=O 428511328 AITMTCKTQJUTJF-UHFFFAOYSA-N 364.401 2.630 0 50 FFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)CCc2ccoc2)CC1 328624263 CIXLGVNPHXYDPF-QGZVFWFLSA-N 360.458 2.807 0 50 FFAA FC(F)(F)Oc1ccccc1Cn1ccnc1-c1cc2n(n1)CCNC2 72428730 ZECKMYZOWPWYRN-UHFFFAOYSA-N 363.343 2.797 0 50 FFAA CCCN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71767656 FBERKQTWMHZLGS-IBGZPJMESA-N 358.530 2.626 0 50 FFAA NC[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 158006001 WZRSDGJCMKNYIZ-BBRMVZONSA-N 367.478 2.853 0 50 FFAA CC(C)N1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 363485195 LXUOZUFQUUJXOO-LJQANCHMSA-N 357.498 2.670 0 50 FFAA CCC[C@@]1(CO)CCN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C1 365626681 XWVIPQYXAQZKSV-LJQANCHMSA-N 354.491 2.502 0 50 FFAA O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1n[nH]c2ccc(Cl)cc12 332375035 ZGCYCLRRIKEGCO-SNVBAGLBSA-N 360.767 2.973 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(-n2cnnc2)nc1 72432773 OKKVAKCAFDELQS-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)OC1=O 77338696 IQWXRFUCHARFBM-UHFFFAOYSA-N 360.458 2.792 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)c2cn(C3CCNCC3)nn2)c1C 237872946 CCPBPKBCJWPSHG-LJQANCHMSA-N 353.470 2.797 0 50 FFAA CN(C(=O)Nc1cccc(C(N)=O)c1)[C@H]1CCCN(Cc2ccccc2)C1 173560636 DXORTNJBTKXUOZ-IBGZPJMESA-N 366.465 2.914 0 50 FFAA O=C([C@H](O)c1ccccc1Cl)N1CCCN(Cc2cccnc2)CC1 72470386 ZDWGVJGZUCDQLU-GOSISDBHSA-N 359.857 2.503 0 50 FFAA CN(C)C1CCN(CCNC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 378558048 KUKFOEXRJBPTAD-RQWLHQTBSA-N 370.541 2.900 0 50 FFAA COC[C@@H]1CN(C(=O)Nc2ccc(OC)c3ncccc23)CC(C)(C)O1 284595005 JHWURNOGLHEFLG-ZDUSSCGKSA-N 359.426 2.901 0 50 FFAA COc1ncccc1CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 176891225 RPHLWHMXDADEGG-FQEVSTJZSA-N 351.406 2.764 0 50 FFAA O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCO[C@@H](Cn2cccn2)C1 221176044 PSGAFIWUJPBXSQ-QGZVFWFLSA-N 373.840 2.630 0 50 FFAA CCc1nnc(CNC(=O)c2cccc(-c3n[nH]c(C(C)C)n3)c2)s1 426628812 SMVGMMDYWDBNIN-UHFFFAOYSA-N 356.455 2.939 0 50 FFAA CCN(Cc1ccc(C)o1)C(=O)NC[C@H](c1ccccn1)N1CCOCC1 426387203 CUACBISKMLHWRG-LJQANCHMSA-N 372.469 2.588 0 50 FFAA C[C@@]1(NC(=O)c2cc(N3CCCCC3)ccc2Cl)CCS(=O)(=O)C1 221371288 URGNOZQEDKDDGR-QGZVFWFLSA-N 370.902 2.637 0 50 FFAA CN1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)CC1 426479085 YBFHSUBBWSOTNO-HXUWFJFHSA-N 358.530 2.951 0 50 FFAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 178134013 RJUADQBVNDSLMR-LBPRGKRZSA-N 368.437 2.527 0 50 FFAA CN(C)C1(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CCCC1 95500623 DGBXLOMDEJKGJH-UHFFFAOYSA-N 354.454 2.539 0 50 FFAA O=C1C[C@H](C(=O)NCc2csc(N3CCCC3)n2)c2ccc(F)cc2N1 97137899 AFNLNPCBIZEUEA-AWEZNQCLSA-N 374.441 2.625 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)C(C)(C)C)CC1 91575534 NPZJRMNOGRJPFE-UHFFFAOYSA-N 358.490 2.603 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1c[nH]nc1C1CCCCC1 91830528 RJBUCGPKURBUQN-UHFFFAOYSA-N 352.442 2.863 0 50 FFAA O=C1CCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CN1CCCO 91595436 ZJGVUDVLGUKKLO-HNQUOIGGSA-N 360.473 2.926 0 50 FFAA Cc1ccc(-c2ncc(C(=O)NCCCN(C)C3CCCC3)c(=O)[nH]2)cc1 91656202 VBWCIUIPVNOQQC-UHFFFAOYSA-N 368.481 2.740 0 50 FFAA O=C(CCc1cn2ccccc2n1)N1CCN(Cc2cccs2)CC1 97514408 QONSSLGRVLHPAT-UHFFFAOYSA-N 354.479 2.673 0 50 FFAA Cc1nccn1CCCC(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1 92099121 YWQIHLFCXDPFKJ-UHFFFAOYSA-N 360.502 2.611 0 50 FFAA CC[C@H]1CN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)CCO1 97655518 NCNUHLXTMHEUKW-SFHVURJKSA-N 356.422 2.823 0 50 FFAA Nc1nnc(C2(NC(=O)[C@@H]3COc4ccccc4C3)CCCCC2)s1 244763947 OYHZAUHITQVRLH-ZDUSSCGKSA-N 358.467 2.647 0 50 FFAA C[C@H](NC(=O)N1CCOc2ccc(Cl)cc2C1)C1CCN(C)CC1 534658878 KLCXBUWOTJPWAM-ZDUSSCGKSA-N 351.878 2.974 0 50 FFAA c1ccc2[nH]c(CCNc3nc(-c4ccncc4)nc4c3CCNC4)nc2c1 67772947 YGUAFRAOMOPXJP-UHFFFAOYSA-N 371.448 2.715 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(COc2ccccc2)cc1 299772209 SGHHDUUSFUWSEU-LJQANCHMSA-N 368.477 2.700 0 50 FFAA COc1ccc(OC)c(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 299760208 STHCACWMDYNRBQ-AWEZNQCLSA-N 371.441 2.532 0 50 FFAA Cn1nc(C(=O)NC2CCN(C3CCSCC3)CC2)c2ccccc21 299783731 XXWMLKGSOSITHK-UHFFFAOYSA-N 358.511 2.663 0 50 FFAA CCN(C(=O)Cc1coc2cc(C)c(Cl)c(C)c12)[C@H]1COC[C@@H]1O 299797070 PKLDQCRGKMWAGS-KBPBESRZSA-N 351.830 2.854 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659777474 YDZQBQGSVKLHSD-XMSQKQJNSA-N 365.429 2.768 0 50 FFAA CC[C@H](NC(=O)N(C)Cc1c(C)nn(C(C)C)c1C)c1ncnn1CC 584895975 HHUJAROCMBFDBE-INIZCTEOSA-N 361.494 2.985 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCN(C4CCCC4)C(=O)C1)(C3)C2 952987929 HKQMBYRVTNKKEH-IDZYALCFSA-N 374.525 2.711 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@](C)(O)c2ccc(C)o2)cc1 185550436 QYAYQMAADYQSDR-KDOFPFPSSA-N 351.468 2.556 0 50 FFAA CC(C)C[C@H](CN)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170048376 RZWNCPKYKGANIJ-GFCCVEGCSA-N 356.348 2.859 0 50 FFAA O=C(NCc1ccc2c(n1)CCCC2)C1CCN(C(=O)N2CCCC2)CC1 278465382 SNFOFYWKNXOTEW-UHFFFAOYSA-N 370.497 2.504 0 50 FFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 170640421 JVHRBPARPKDHIS-GWCFXTLKSA-N 372.494 2.831 0 50 FFAA CCOc1ccc(CN2CCN(C(=O)c3[nH]nc4c3CCCC4)CC2)cc1 192774657 UPDVYDAOLKETHZ-UHFFFAOYSA-N 368.481 2.645 0 50 FFAA CC[C@@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1cn2cccnc2n1 1506408107 UZKIQWNFQHLDKD-CQSZACIVSA-N 352.442 2.531 0 50 FFAA Cc1[nH]nc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1Cl 1529125720 ZLNJKNSNXQNCOO-KDOFPFPSSA-N 356.857 2.955 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc(F)cc4C)CC3)C[C@@H]2O)on1 1529146344 MVQASVYHYKWDER-IERDGZPVSA-N 373.472 2.935 0 50 FFAA COc1cc(Cl)cc(CN(CCN(C)C)Cc2[nH]cnc2C)c1OC 1704325855 UWBZLCUQHFYURW-UHFFFAOYSA-N 366.893 2.953 0 50 FFAA Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 1072723 XLKOVHIIMVBZTQ-CYBMUJFWSA-N 350.415 2.748 0 50 FFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 1148663 MJBPQYYLKNMBKI-UHFFFAOYSA-N 356.806 2.705 0 50 FFAA O=C(C1CCCCC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697913 PPLIZSLKGCJRAD-UHFFFAOYSA-N 366.469 2.844 0 50 FFAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)n1 12301787 WOXJSOADXKXCCS-INIZCTEOSA-N 355.413 2.584 0 50 FFAA CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H](NCC1CC1)C2 14534228 PWBBAKGWABSLMC-MRXNPFEDSA-N 356.470 2.625 0 50 FFAA CN(C(=O)CCc1cnccn1)[C@H]1CCCN(Cc2ccccc2F)C1 14970481 QPNGAOJVOGYWBZ-SFHVURJKSA-N 356.445 2.671 0 50 FFAA CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 15622951 MFEQYMHOGVUQLO-UHFFFAOYSA-N 369.240 2.610 0 50 FFAA OCCOc1ccccc1CN[C@@H]1CCCN(Cc2ccccc2F)C1 19788807 ZAHLBBUYJSCJNO-LJQANCHMSA-N 358.457 2.951 0 50 FFAA Cc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 169779731 CTEJPCPWZYQAMT-UHFFFAOYSA-N 362.433 2.889 0 50 FFAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 954851 SFSOXZMQIWLCDB-HUUCEWRRSA-N 350.484 2.589 0 50 FFAA Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 2898132 BYODBSVPJWZTLZ-UHFFFAOYSA-N 359.476 2.771 0 50 FFAA CCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1 2994073 AZAMWZKGXJQCBZ-UHFFFAOYSA-N 358.419 2.983 0 50 FFAA CCn1nc(C)cc1C(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857675304 RYXDUSVWRWNBFR-YRISNDGFSA-N 367.449 2.902 0 50 FFAA CN(C)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857677680 MEECAPHRYUBCCA-KPLVRAHFSA-N 365.477 2.746 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C3CCN(c4ccccc4F)CC3)CCN12 1875246094 IENMNXABGALNMS-RBUKOAKNSA-N 361.505 2.980 0 50 FFAA COc1cc2c(cc1OC)-c1cc3ccc4c(c3c(=O)n1CC2)OCO4 14619285 PJTYPIGQKDTERS-UHFFFAOYSA-N 351.358 2.971 0 50 FFAA biogenic,in-vitro O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@H]1C[C@H]2CC[C@H]1O2 250978263 VKKMZBUFVIQWNX-CQJJVWNLSA-N 369.387 2.903 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@@H](N2CCCC2)C1 153323454 ZFLMXHMKUNHICH-OAHLLOKOSA-N 357.483 2.585 0 50 FFAA CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 163222131 FLTMXRNGXISUIR-PWSUYJOCSA-N 369.792 2.837 0 50 FFAA N[C@@H]1CCc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2NC1=O 912332608 CMEOFOSAEAPSDV-MRXNPFEDSA-N 355.463 2.765 0 50 FFAA CC[C@@H](NC(=O)NCC1(c2ccccc2)CCN(C)CC1)c1ncccn1 1875295748 PNSCBGVALGQLIV-GOSISDBHSA-N 367.497 2.891 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 1875369327 IKAGRHAFMBBQCF-UHFFFAOYSA-N 369.465 2.594 0 50 FFAA Cn1cc([C@@H]2OCC[C@H]2C(=O)NC[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cn1 1875396671 QLWWITAPNVLIOX-VQHPVUNQSA-N 363.502 2.844 0 50 FFAA CC(C)[C@H](NC(=O)/C=C/CN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1875378685 JBAXWWJIAQICQK-BLGFXRMMSA-N 367.534 2.892 0 50 FFAA C=CC(=O)N(Cc1cn(-c2ccc(F)cc2)nn1)Cc1cnc(CC)o1 1875386312 MKUFMCDYYBJFAL-UHFFFAOYSA-N 355.373 2.672 0 50 FFAA CCN1C(=O)C[C@@H](CNC(=O)c2ccc(F)cc2C)[C@@H]1c1cccnc1 886031699 MDZCVWOJIZDQLN-KXBFYZLASA-N 355.413 2.869 0 50 FFAA COc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)cc1C 4578138 SOKHPVDBDCCOSC-UHFFFAOYSA-N 354.516 2.900 0 50 FFAA COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Cl)cc1O 15240469 HRZMLLSAPITXRB-CHHVJCJISA-N 358.806 2.825 0 50 FFAA Cc1ccc2c(c1)[C@H](C(=O)O[C@@H](C)C(=O)c1ccc3c(c1)NC(=O)CO3)C2 2325760343 WGNZBONQWDXTDQ-BLLLJJGKSA-N 365.385 2.780 0 50 FFAA CN1CC[C@H](n2cc(C(=O)Nc3ncc(-c4cccc(F)c4)s3)nn2)C1 2325764255 DZJIRBQNCVXBRV-ZDUSSCGKSA-N 372.429 2.670 0 50 FFAA Cc1cc(NC(=O)Cn2ccc3c(N)cccc32)n(C2CCN(C)CC2)n1 2325773412 VGOGGVSJLDXNHU-UHFFFAOYSA-N 366.469 2.634 0 50 FFAA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@H](C)[C@@H](C)[C@H]2C(=O)O)n1 2325815719 IGEZMAPORDGCKC-KJWYOANISA-N 355.438 2.708 0 50 FFAA CN1CCN(C(=O)c2ccc3nc(N(C)C)sc3c2)c2ncccc2C1 2325821201 SNWRJWNIIFYTMB-UHFFFAOYSA-N 367.478 2.850 0 50 FFAA C[C@]1(NC(=O)c2ccncc2)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871012 YSKYYEFHNSMCSD-NRFANRHFSA-N 360.417 2.664 0 50 FFAA COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 654233 PAUSLPDCOGGPEZ-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA O=C(c1ccc(C(=O)n2nnc3ccccc32)cc1)n1nnc2ccccc21 676888 PNENGEFVBQPWCZ-UHFFFAOYSA-N 368.356 2.553 0 50 FFAA Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 1125594 MPHGAIFSWHRUGZ-UHFFFAOYSA-N 369.446 2.802 0 50 FFAA OC1CCN(c2nccn3c(-c4ccc(-c5cc[nH]n5)cc4)cnc23)CC1 2356146007 NISBTRAYGIZQES-UHFFFAOYSA-N 360.421 2.748 0 50 FFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCCC(F)(F)C1 2356154154 JUEFYRLHKNJYMC-UHFFFAOYSA-N 356.438 2.771 0 50 FFAA CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 4271793 INFQZPMKCSYTFB-UHFFFAOYSA-N 373.434 2.519 0 50 FFAA CCOc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1C 4841701 QGKAATPIKNSENI-UHFFFAOYSA-N 363.435 2.669 0 50 FFAA COc1cccc2ccc(CN3CCN(CC(C)C)[C@H](CCO)C3)nc12 104415243 SWCVHGGKKZTHJE-LJQANCHMSA-N 357.498 2.768 0 50 FFAA CCc1nccn1CCC(=O)Nc1sc2c(c1C(=O)NC)CCCC2 55166023 SKSORXZVVDCVAZ-UHFFFAOYSA-N 360.483 2.774 0 50 FFAA O=C(C(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1)c1cccnc1 67690859 MKYPPISMSVQICX-UHFFFAOYSA-N 374.444 2.984 0 50 FFAA O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCCC1 24610409 UMIXNSCZXZLYAI-UHFFFAOYSA-N 370.902 2.504 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)no2)CC1 67678027 CZFSDKASHPCJCU-LJQANCHMSA-N 372.444 2.538 0 50 FFAA Cc1ccc(OCCCCN2CCNCC2)c(I)c1 20272210 NBVMCBIJTSVIBG-UHFFFAOYSA-N 374.266 2.664 0 50 FFAA CCn1nc(C(=O)O)c2c1CCN(C(=O)CCc1c[nH]c3ccccc13)C2 67842647 QCDJJYUXAWXEMO-UHFFFAOYSA-N 366.421 2.600 0 50 FFAA CCCN1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 249782276 QHAGNWWPVPLOEK-DLBZAZTESA-N 362.493 2.683 0 50 FFAA C[C@H]1CN(CCC(=O)NCCN2CCCC2)Cc2cc(Cl)ccc2O1 11841069 HZLOZEVEMYPNFR-HNNXBMFYSA-N 365.905 2.525 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3snnc3C)c2)n1 67920482 NDISEIINJLRVJH-UHFFFAOYSA-N 355.467 2.980 0 50 FFAA Cc1c(C)c2ccc(O[C@H](C)C(=O)N(C)Cc3ncc[nH]3)cc2oc1=O 67804116 JORALUDNDBXUHT-CYBMUJFWSA-N 355.394 2.559 0 50 FFAA CCn1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 123503073 KAUCDYGCBFUBLB-CABCVRRESA-N 353.344 2.870 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)c3cc4cc(Cl)ccc4oc3=O)C2)C1=O 71315366 QUWYAFSULHVBLG-LJQANCHMSA-N 374.824 2.531 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 71754613 VOEUOFCUZWYCQQ-AWEZNQCLSA-N 371.391 2.888 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc2c(c1)nnn2C 72481087 QCIXRJMAIGWFPZ-UHFFFAOYSA-N 370.501 2.624 0 50 FFAA CCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77374975 JRQBLUVSVZRPKI-HXUWFJFHSA-N 358.486 2.706 0 50 FFAA Cc1cccn2cc(C(=O)N3CCN([C@@H]4CCc5ccccc5C4)CC3)nc12 72129776 ZPJFTGFWJHAIKX-HXUWFJFHSA-N 374.488 2.958 0 50 FFAA O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 36360658 IWSSQQFCVMLQCS-CYBMUJFWSA-N 374.238 2.513 0 50 FFAA COCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1 253370965 YUPGQICQNIALBS-XKAJCMQQSA-N 356.466 2.622 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cccc(O)c3C)CC2=O)cc1C 72436394 QCAGNOHXVSSWOR-UHFFFAOYSA-N 352.434 2.802 0 50 FFAA CCN(CCn1ccnc1-c1cc2n(n1)CCNC2)c1cccc(C)c1 72476986 NHRWJMNUIWAQRT-UHFFFAOYSA-N 350.470 2.685 0 50 FFAA O=C(Cn1cccnc1=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 77505417 IVHXWBKJBLNUBT-UHFFFAOYSA-N 364.449 2.700 0 50 FFAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)COC[C@H]1CCCCO1 77356896 PIRKUDRAEOEQOI-OAQYLSRUSA-N 374.525 2.943 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3nc(Cl)n[nH]3)[nH]c2c1 77518031 CUTPWTVPIVMRMD-ZDUSSCGKSA-N 358.833 2.939 0 50 FFAA CC[C@@H](C)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71763134 WVDSVYAIPBKEHO-CQSZACIVSA-N 354.454 2.572 0 50 FFAA O=C(NC[C@H]1CCCN(c2ccccn2)C1)c1scc2c1OCCO2 219338227 QITCOAODVYEDGG-CYBMUJFWSA-N 359.451 2.561 0 50 FFAA Cc1cc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc(C(N)=O)c1 456155079 BLEAKUULEQTAQC-UHFFFAOYSA-N 374.466 2.716 0 50 FFAA COCCc1cc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)n(C)n1 127703558 UNXVUKRLZPPREC-KRWDZBQOSA-N 360.433 2.987 0 50 FFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1CCn1cccn1 219448786 QSGQLMKJLVNIPX-FQEVSTJZSA-N 368.481 2.805 0 50 FFAA CCOc1ncccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC(C)C)C1 72438138 XICKNTCUSZDBHU-DOTOQJQBSA-N 359.470 2.589 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NC2CCN(c3cnccn3)CC2)cc1 72419658 NTJNEFGXAAHGHJ-UHFFFAOYSA-N 368.481 2.579 0 50 FFAA COc1cc(C(=O)N2CCCN(C(=O)C3CC3)CC2)ccc1OCC(C)C 158442994 VVZQRWCJIURLRG-UHFFFAOYSA-N 374.481 2.815 0 50 FFAA CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1 44901429 RUCHYPYWJLUCLY-NSHDSACASA-N 366.468 2.692 0 50 FFAA O[C@@H](CN1CCN(CC2CCOCC2)CC1)c1ccccc1C(F)(F)F 172423159 RXBXBHHBYNCUOT-SFHVURJKSA-N 372.431 2.783 0 50 FFAA Cc1cccc(-n2nnnc2SC[C@H](O)CNc2ccc(F)cc2)c1 43191091 QCUKVWTUYMPWDL-MRXNPFEDSA-N 359.430 2.675 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1CC(=O)c1cccs1 176203027 REVMNXBTKZCRLV-STQMWFEESA-N 350.484 2.863 0 50 FFAA Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 176281300 GKOAGLKQYXZSCT-MFKMUULPSA-N 362.396 2.500 0 50 FFAA CN(C)CCn1ccc(NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)n1 173916622 KAPGJBNSKAYOGG-SFHVURJKSA-N 370.501 2.577 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccn(C3CCCC3)n2)C1 284481062 AUSOOIPISOFMFI-SJORKVTESA-N 356.474 2.956 0 50 FFAA CCN1CCO[C@H](C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 174507103 TWHDQNUPVALCNP-SFHVURJKSA-N 368.437 2.990 0 50 FFAA C[C@@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1cnn(C)c1 82121240 HNMYFTRNZHGJJE-MRXNPFEDSA-N 374.444 2.965 0 50 FFAA Cc1ncn(CC(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)c1C 223557793 CMGRQZYHOBXFRO-IBGZPJMESA-N 351.454 2.953 0 50 FFAA Cc1nnc(SCCNC(=O)c2cccc(Cn3cccn3)c2)s1 91526683 RXUNRDKZZYQAJA-UHFFFAOYSA-N 359.480 2.613 0 50 FFAA c1ccc(Cn2ccnc2C2CCN(c3ncnc4[nH]ccc34)CC2)nc1 91547868 YBFFUHINKMVGMR-UHFFFAOYSA-N 359.437 2.982 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1ccc(C)cc1C 95370498 IJEPMYAMSMYPDH-UXHICEINSA-N 371.525 2.689 0 50 FFAA CC[C@H](O)Cn1nc(-c2ccco2)nc1-c1ccccc1-n1cncn1 96133170 BUQDTXUERKWMME-ZDUSSCGKSA-N 350.382 2.557 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(O)c1)C2 91691107 HRNOMYPUUNGPEH-PKOBYXMFSA-N 364.445 2.698 0 50 FFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4c(c2)OCO4)C3)c1 91625398 TXHAYCATESSSAB-RBUKOAKNSA-N 351.450 2.907 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCN(c3cccc(O)c3)CC2)N(C)C)cc1 95369768 NZWZAFFTHBSMNZ-HXUWFJFHSA-N 353.466 2.652 0 50 FFAA CCN(CCCCO)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91794472 MUXCURKMBQMCMC-MRXNPFEDSA-N 366.889 2.700 0 50 FFAA CCOc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1CO 95357630 XCDFKIVWLRJCPT-YLJYHZDGSA-N 372.509 2.801 0 50 FFAA COCCN1CCC[C@@]2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O 91434222 DDXHLELXUJHUKK-INIZCTEOSA-N 357.376 2.566 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnc(-c3ccccn3)nc2O)c1 91625205 HGANGKBRYCAXBV-AWEZNQCLSA-N 363.421 2.651 0 50 FFAA CC(C)OCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95377102 LCEUIQADDZYEIG-MISYRCLQSA-N 364.436 2.778 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91943109 RYICYSBLIIRULW-JKSUJKDBSA-N 367.424 2.847 0 50 FFAA Cc1cc(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc2sc(N)nc12 95378479 UVPIIBXGIJLGMM-ZDUSSCGKSA-N 366.446 2.722 0 50 FFAA CCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91746950 MMVFIFLBSGARFL-RBUKOAKNSA-N 350.466 2.975 0 50 FFAA O=C(c1cnc(N2CCOCC2)nc1)N1CCCCC[C@H]1c1ccco1 95375556 XVJLWCCDOUOARZ-INIZCTEOSA-N 356.426 2.664 0 50 FFAA O=C([C@@H]1CCCN1Cc1cc(=O)c2cc(F)ccc2[nH]1)N1CCCCC1 91462271 YAWJNBDSBQNMAU-SFHVURJKSA-N 357.429 2.644 0 50 FFAA CS[C@@H]1CCC[C@H](NC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1 247634180 TYXLPFSIDSPIJB-BSDSXHPESA-N 369.575 2.728 0 50 FFAA CCc1nnc(CNC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)s1 244708310 KRKFLMFVIIBPMZ-LLVKDONJSA-N 366.446 2.919 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 253487603 MNSBETXPDYZQDN-CWFSZBLJSA-N 371.525 2.681 0 50 FFAA COCC(=O)N1CCc2c(NC(=O)C[C@H](C)c3c(C)noc3C)cccc21 181975046 JZJHTWNPHPWMFX-LBPRGKRZSA-N 371.437 2.959 0 50 FFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)O)C1CCOCC1 299751669 RGIFUOMPMBSQQG-NSHDSACASA-N 373.808 2.729 0 50 FFAA COCC(=O)Nc1cc(C(=O)O)c2c(c1)ncn2Cc1ccc(F)cc1 299793726 HWQGTGGUZYYSLZ-UHFFFAOYSA-N 357.341 2.507 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)N2CCN(c3cccnc3)CC2)c1 299791189 CTKXDKYHWYLZJZ-UHFFFAOYSA-N 354.410 2.531 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cccn4cnnc34)C2)c1 299789562 ZONGUWMROFAPPG-OAHLLOKOSA-N 366.421 2.669 0 50 FFAA COc1cccc(-c2cccc(C(=O)NC3CCN(CC(=O)O)CC3)c2)c1 299769071 MIWVTNCZUBBUFI-UHFFFAOYSA-N 368.433 2.641 0 50 FFAA C[C@H](c1nc(Cc2cccs2)nn1-c1cccnc1)N1CCOCC1 822276821 QEJRMNKBTCOIGC-CQSZACIVSA-N 355.467 2.708 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3cc(C)c4nccn4c3)c2)C1 584894314 GLWWMLLLXHYCLU-IBGZPJMESA-N 362.433 2.660 0 50 FFAA O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1CCc1ccccn1 952968577 KLNYPUJKPFYEMR-QGZVFWFLSA-N 362.433 2.717 0 50 FFAA CN(C)[C@@H](C(=O)N(CCCO)Cc1cccs1)c1ccccc1F 952988129 MNUXIURJTYRYDS-QGZVFWFLSA-N 350.459 2.901 0 50 FFAA CCc1nn(C)c(Cl)c1CN[C@H]1CCCN(C(=O)c2ccco2)C1 952970305 LYLWLOKQHINLNS-LBPRGKRZSA-N 350.850 2.623 0 50 FFAA CC(C)N1CCC(O)(CNC(=O)c2ccc3ccc(Cl)cc3n2)CC1 268518653 ZMPXPZLOWKWLNV-UHFFFAOYSA-N 361.873 2.853 0 50 FFAA CCO[C@@H]1C[C@](NC(=O)Cc2c[nH]c3c(C)cccc23)(C(=O)O)C1(C)C 193050695 YRSHCWJFLMKTIB-QRWLVFNGSA-N 358.438 2.793 0 50 FFAA Cc1ccc([C@@H](CNc2ncnc3onc(C)c23)N2CCOCC2)cc1 195510115 XAOABWSVNIISNQ-MRXNPFEDSA-N 353.426 2.720 0 50 FFAA Cc1nc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n(C)c1C 1529094002 FTIIBICTVACLFJ-YLJYHZDGSA-N 350.466 2.621 0 50 FFAA CCNC(=O)c1ccc(N[C@@H]2CCCN(C(=O)c3cccs3)C2)nc1 1529196441 ZTFSAHOQILHFGU-CQSZACIVSA-N 358.467 2.610 0 50 FFAA CC(C)N1C(=O)/C(=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 1118554 CRXIFCWXFPLHCX-WUKNDPDISA-N 361.426 2.582 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2c(Cl)ccc3ncccc23)CC12CCOCC2 1800414579 UXWYVUCHLAMIPM-ZDUSSCGKSA-N 374.824 2.842 0 50 FFAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 1848443966 RJBQQSGLYKCWQT-OJAHFUOMSA-N 359.381 2.849 0 50 FFAA O=C(Cc1ccc(Cl)cc1)N1CCCN(C[C@H]2CCCCO2)CC1 1772806478 YOEVZFYBVRGFCK-GOSISDBHSA-N 350.890 2.986 0 50 FFAA CCn1ccc(-c2nc(-c3ccc(F)c(F)c3)nn2-c2cnn(C)c2)n1 1775979167 GGVYOUWNBQQIQA-UHFFFAOYSA-N 355.352 2.829 0 50 FFAA O=C(c1ccco1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 12318327 IMSBBRSMYBKBIJ-INIZCTEOSA-N 357.429 2.846 0 50 FFAA COc1ncccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 12387534 SVRLUDPSUWZNRG-INIZCTEOSA-N 357.429 2.966 0 50 FFAA Cc1ccccc1OC1CCN(C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 12702465 AEVHIWAZXMEOBM-JOCHJYFZSA-N 372.509 2.602 0 50 FFAA COCCN1CCC(CN(Cc2cccc(O)c2)C[C@@H]2CCCO2)CC1 12702757 WIWDNEQYNXIYAV-NRFANRHFSA-N 362.514 2.732 0 50 FFAA COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 18137605 OFOOEXYYRKFGSE-KRWDZBQOSA-N 358.825 2.813 0 50 FFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 19790233 MDRCRKLXIAPLNE-UHFFFAOYSA-N 374.506 2.900 0 50 FFAA O=C(c1ccoc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 169764091 BMMAGPLSQPUROY-UHFFFAOYSA-N 360.801 2.600 0 50 FFAA O=C(CSc1ncn[nH]1)Nc1nsc(-c2ccc(Cl)cc2)n1 5997169 GKUMWTRTLJPVQU-UHFFFAOYSA-N 352.832 2.707 0 50 FFAA COc1ccc2c(c1)CN(CC(=O)Nc1ccc3c(c1)OCCCO3)C2 1857527382 AAVMNHUZKDLKRL-UHFFFAOYSA-N 354.406 2.811 0 50 FFAA C/C=C(\C)CN1C[C@@H](C(=O)O)C2(CCN(C(=O)CSC(C)C)CC2)C1 1857686729 FJPDFSXBTGPZSZ-UZPPOTPCSA-N 368.543 2.719 0 50 FFAA Cc1nsnc1C(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857728082 MTFKOUFBSQEEBG-JKSUJKDBSA-N 373.478 2.734 0 50 FFAA O=C(c1ccn2nccc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 1857739176 LIODEDCTOIONDB-UHFFFAOYSA-N 360.461 2.650 0 50 FFAA Cc1nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c2c(C)csc2n1 328615775 ZEQKWMDOKPGUKX-BLLLJJGKSA-N 370.482 2.673 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 238075004 PFBVTORVJDDNAD-VIFPVBQESA-N 351.200 2.867 0 50 FFAA COc1ccc([C@@H](CCO)NC(=O)c2cnc(O)c3ccccc23)cc1 240897249 IRNONBZKSGXKIB-GOSISDBHSA-N 352.390 2.803 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 368205204 ZKBIPYNZOSXYAS-HNNXBMFYSA-N 374.347 2.773 0 50 FFAA COc1cc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)ccc1C 156088681 VGOLHCCUQIFQOW-OAHLLOKOSA-N 368.441 2.557 0 50 FFAA Cc1ccccc1CS(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 156654145 AGGKBXKPKIVLTL-OAHLLOKOSA-N 366.433 2.972 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@]1(CC(=O)O)CCOC1 262962373 MCHUIYCVDQPFCS-VFZGTOFNSA-N 362.209 2.511 0 50 FFAA COc1ccccc1C[C@@H]1CCC[C@@H]1NCc1cnn2c1CN(C)CC2 952889677 JNCPYZUMHLNNBH-LPHOPBHVSA-N 354.498 2.838 0 50 FFAA Cc1ccc2nnc(CNC(=O)N3Cc4ccccc4O[C@H](C)C3)n2c1 1875306084 RWWXDARCHDFTQR-CQSZACIVSA-N 351.410 2.530 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1cc2c(s1)CCOC2)C1CCCCC1 1875371161 RCKSOININUZRKB-HNNXBMFYSA-N 362.495 2.802 0 50 FFAA CCn1nccc1/C=C/c1nnc([C@@H]2CCCO[C@H]2c2cnn(C)c2)o1 886095064 LJNCXUGLQGESRF-TYGQBZDHSA-N 354.414 2.825 0 50 FFAA O=C(CN1CCCc2ccccc2C1)Nc1nnc([C@@H]2CCCO2)s1 2100537741 SZSIYBXYYINTCE-HNNXBMFYSA-N 358.467 2.777 0 50 FFAA O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@H]1CCC[C@H](OC(F)F)C1 2325766447 UCUUPTVREZQZBN-YTDWTQRBSA-N 366.364 2.697 0 50 FFAA Cc1ncc(-c2cn(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)nn2)n1C 2325772770 CKNCFCJQARRONV-CQSZACIVSA-N 356.817 2.834 0 50 FFAA O=C(NC1(c2ccc3c(c2)OCCO3)CC1)c1cccc(C2(F)CNC2)c1 2325800897 LTGSRDXEDMNRMC-UHFFFAOYSA-N 368.408 2.645 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc4ccccn34)[C@@H](C)C2=O)c1 2356169815 HTHXDPGYOAZTRT-HNNXBMFYSA-N 363.417 2.825 0 50 FFAA CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2cccs2)c1 6680447 XRAZXHGDAUXLTR-UHFFFAOYSA-N 358.510 2.770 0 50 FFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 6743476 PYCHMFKNXBFJSR-MRXNPFEDSA-N 350.484 2.566 0 50 FFAA Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(=O)n(-c2ccccc2)n1C 117559047 CDGYLPJMSJXNTN-ORAYPTAESA-N 363.417 2.988 0 50 FFAA O=C(c1cccnc1-c1cccc(CN2CCOCC2)c1)N1CCCC1 67966862 XZKLHZZNBYTQAJ-UHFFFAOYSA-N 351.450 2.817 0 50 FFAA O=C(Cc1ccccc1)NCCC(=O)OCC(=O)c1ccc(Cl)cc1 21858891 XWXTVVPKPNHBHC-UHFFFAOYSA-N 359.809 2.815 0 50 FFAA Cc1n[nH]c(C)c1CNc1ccc(C(=O)NCCCc2ccccn2)cn1 67743158 IYQOGLVGCZHPNH-UHFFFAOYSA-N 364.453 2.791 0 50 FFAA O=S(=O)(c1ccccc1)N1CCc2[nH]nc(Cc3cccs3)c2C1 23379677 OQBXZTDKSLNPIU-UHFFFAOYSA-N 359.476 2.809 0 50 FFAA CN1CCN(CCCNC(=O)CCSc2ccc(Cl)cc2)CC1 20818772 VAHXCHIZNWIPJP-UHFFFAOYSA-N 355.935 2.576 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2c2nccc(C(F)(F)F)n2)n1C 328629641 PBIJYFBTQXTAPX-LBPRGKRZSA-N 367.375 2.925 0 50 FFAA Cc1cccc(CN(C(=O)c2cc(CN3CCC(O)CC3)on2)C(C)C)c1 67804257 PWZHYBWGQQDBBI-UHFFFAOYSA-N 371.481 2.991 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCCOC2CCCCCC2)CC(=O)N1C 328627161 MMFLDJYAJDXGIL-YLJYHZDGSA-N 362.518 2.638 0 50 FFAA O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1ccc2c(c1)CCO2 439248284 PLBFETVALPPQSM-UHFFFAOYSA-N 359.432 2.941 0 50 FFAA Cc1cc(C)n(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)c(=O)n1 72474612 BWLLDDOJOXPYSK-UHFFFAOYSA-N 368.462 2.642 0 50 FFAA O=C(NCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)c1cccc(F)c1 125942836 IVTKLODRTXLXQG-MOPGFXCFSA-N 370.424 2.670 0 50 FFAA COc1ccc2c(c1NC(=O)N[C@H]1CCCN(c3cnn(C)c3)C1)CCC2 240244181 DKRDDNZIXOLPHA-HNNXBMFYSA-N 369.469 2.708 0 50 FFAA CN1C(=O)C[C@@H](C(=O)Nc2ncccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 364665335 VYKZFRWEDQVORQ-YGRLFVJLSA-N 365.220 2.942 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77287094 UZAPYBQHLISAJS-AWEZNQCLSA-N 358.398 2.536 0 50 FFAA Cc1noc([C@H]2CCN(C(=O)N[C@H]3CCCOc4c(F)cccc43)C2)n1 332789291 KELMWMIDPWGHCS-WFASDCNBSA-N 360.389 2.930 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)Cc1ccc(N2CCCC2=O)cc1 237036242 GVGOKCZTHITHHL-UHFFFAOYSA-N 366.417 2.713 0 50 FFAA COCc1cccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 377831500 NHHPQERQXRVLOH-SFHVURJKSA-N 356.470 2.848 0 50 FFAA CC(=O)c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c1 195543824 FKPQHDORXZXHJN-YQQAZPJKSA-N 361.467 2.554 0 50 FFAA Cc1cc(NC(=O)c2ccc3c(c2)CCO3)cc(N2CCN(C)CC2)c1 240900782 ITWBKBIEDPVTKK-UHFFFAOYSA-N 351.450 2.934 0 50 FFAA Cc1ccc(N2CCCC2=O)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 174306076 YEAUZBJTJWSFKJ-HNNXBMFYSA-N 352.438 2.865 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc1 82138726 BYDOWAKQFXNFDM-HXUWFJFHSA-N 364.445 2.710 0 50 FFAA CC1(C)CC(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)CC(C)(C)N1 223476068 CBIDEZZRKXGIAA-SJORKVTESA-N 352.519 2.634 0 50 FFAA CC(C)Oc1ccc(C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 17073460 DNSAGRVFWPWMNJ-UHFFFAOYSA-N 355.419 2.856 0 50 FFAA CC(C)(C)N1C[C@@H](NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1=O 174509414 UINWRNKOCBDSGZ-HNNXBMFYSA-N 368.437 2.743 0 50 FFAA Cc1ccc2ncnc(N[C@H](C)C(=O)NCc3cn4ccsc4n3)c2c1 426503641 YVADUZXLGFAFJI-GFCCVEGCSA-N 366.450 2.764 0 50 FFAA C[C@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cnn(C)c1 426370356 IQFIMQHEVQNWOL-NADMHLTPSA-N 353.470 2.522 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC2(CC1)CNC(=O)O2 223833775 YQOIKBJTOSXRRW-UHFFFAOYSA-N 370.405 2.882 0 50 FFAA COC(=O)c1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)nc1 426486051 HMRHPRNZNYCKNI-QGZVFWFLSA-N 365.433 2.511 0 50 FFAA Cc1cccc(OC2CN(C(=O)NCC3CCN(C(=O)C(C)C)CC3)C2)c1 426377847 BYYJNOPVSYQCEA-UHFFFAOYSA-N 373.497 2.662 0 50 FFAA Cc1c[nH]c(CN(C)[C@H](C(=O)O)c2ccc(NC(=O)N3CCCC3)cc2)n1 95376916 VHTMSWGPHBRGQM-KRWDZBQOSA-N 371.441 2.604 0 50 FFAA Cc1cc(C)cc(-n2nc(C3CCOCC3)nc2-c2c[nH]c(=O)cn2)c1 96180594 OIFIXMIRESRSAA-UHFFFAOYSA-N 351.410 2.528 0 50 FFAA COc1ccc(-n2nc(C(=O)N3CC[C@@H](O)C3)cc2-c2ccccc2)cc1 97547503 UHBKYTPXPVZBGP-QGZVFWFLSA-N 363.417 2.755 0 50 FFAA CCN1CCC(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20607239 KPJLAWXVHVQRDK-UHFFFAOYSA-N 360.405 2.868 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3nnc(-c4ccccc4)o3)C2)no1 426495859 TXADOBJFOWLZLK-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)c2cc(Br)ccc2n1 178257212 DJXMOGBYTCOEOY-JTQLQIEISA-N 363.211 2.852 0 50 FFAA CCCN1CCC[C@]2(CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1=O 91562983 KPNZJTHITXCHDL-OAQYLSRUSA-N 368.433 2.658 0 50 FFAA CCN1CCC(CC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 95506556 MDKJYUKLVQJQRW-NRFANRHFSA-N 356.466 2.745 0 50 FFAA C[C@@H](C1CCN(C(=O)Nc2cccc(N(C)C)c2)CC1)N1CCN(C)CC1 96150497 WSFQJTTUWNHGNL-KRWDZBQOSA-N 373.545 2.632 0 50 FFAA C[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2ncsc2n1 95391756 OIMDUTWOOPMGOH-AWEZNQCLSA-N 369.494 2.848 0 50 FFAA COc1ccc(NC(=O)NCc2ccc3c(c2)OCCCO3)c(OC)n1 96138021 KYBRTVBADIWIRC-UHFFFAOYSA-N 359.382 2.582 0 50 FFAA NC(=O)CN1CCC(c2nc(-c3ccncc3)nn2C2CCCCC2)CC1 96132209 WXHLJAPYEJPSLX-UHFFFAOYSA-N 368.485 2.510 0 50 FFAA Cc1c(-c2cc(C(=O)N3CCC[C@@H]3c3nc(C(C)C)no3)no2)cnn1C 91625284 VJWFWAYCOWKOCS-CQSZACIVSA-N 370.413 2.867 0 50 FFAA O=C(NCCCSCc1ccc(F)cc1)c1ccnc(-n2cnnc2)c1 97642433 GBVCNSHZXKZPEC-UHFFFAOYSA-N 371.441 2.855 0 50 FFAA O=C(c1ccccc1OC(F)F)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91931736 HJHLECHGNQNKPN-UONOGXRCSA-N 364.392 2.761 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 91434498 VJQKHTXNHHUYGJ-HXUWFJFHSA-N 363.421 2.562 0 50 FFAA O=C(c1cccnc1)N1CCC(N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 244700988 JXVCLBBYDMAOAK-HHXXYDBFSA-N 371.506 2.850 0 50 FFAA Cc1csc(C(=O)N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)c1 296901090 DQUSBMRBWRYKIY-MRXNPFEDSA-N 368.462 2.910 0 50 FFAA O=S1(=O)CCC[C@@H](NCc2cccc(Cn3cnc4ccccc43)c2)C1 182669019 VUYUDPDLFWCEPO-GOSISDBHSA-N 369.490 2.751 0 50 FFAA COCc1cc(CNC(=O)c2cccc(-c3cnc(OC)cc3C)c2)[nH]n1 824475182 JXLCTASCYFOSTM-UHFFFAOYSA-N 366.421 2.865 0 50 FFAA COc1cccc([C@@H](C)NC(=O)N2CCN(Cc3ncccc3C)CC2)c1 584903902 DCUUIKHYUAJMSW-QGZVFWFLSA-N 368.481 2.987 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)NCCCn1nc(C)cc1C 670468293 XICBKUKPLOEJKS-UHFFFAOYSA-N 367.453 2.591 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)CC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)C2 590561096 UMQMHBFFOLWGQR-PYHYNLKWSA-N 371.477 2.836 0 50 FFAA O=C(N[C@@H](CO)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)o1 1348832648 VFDNRQCJFHMBLR-NSHDSACASA-N 365.254 2.962 0 50 FFAA CCCCCc1nc(CN2CCOCC2)n(-c2ccc(C(=O)O)cc2)n1 952863608 UZVLNUNKMKOXJW-UHFFFAOYSA-N 358.442 2.530 0 50 FFAA CCCn1cc(C(=O)NCC2CCN(C(=O)c3ccoc3C)CC2)c(C)n1 952966435 JNSATWBWFYACHN-UHFFFAOYSA-N 372.469 2.785 0 50 FFAA COc1cccc(-c2ncc(CNCCN3CCCC[C@@H]3CO)s2)c1 952988517 QGIVDLLXOMFRQP-MRXNPFEDSA-N 361.511 2.755 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)cc1 1565515782 AIUKPPSSKXJHGR-UTKZUKDTSA-N 364.493 2.884 0 50 FFAA C[C@@H](c1cnccn1)S(=O)(=O)Cc1nn(-c2ccccc2)c2c1CCC2 185197461 HLAWBVUZILIWKT-AWEZNQCLSA-N 368.462 2.827 0 50 FFAA COC(=O)[C@]1(C)CCN(C(=O)c2ccccc2C(=O)c2ccc(O)cc2)C1 408525746 GOPMLEGZIODINF-OAQYLSRUSA-N 367.401 2.648 0 50 FFAA Cc1cnc(NC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 187223799 DYSLBVJDNXJTJD-GOSISDBHSA-N 360.483 2.552 0 50 FFAA OCc1nc(SCc2ccc(Br)c3cccnc23)n[nH]1 170090255 LWDZKJDQPWWFEE-UHFFFAOYSA-N 351.229 2.900 0 50 FFAA CCCNC(=O)c1cccc(C(=O)NCc2nc3cc(C)ccc3[nH]2)c1 170646606 RACANJFYEBQDLL-UHFFFAOYSA-N 350.422 2.941 0 50 FFAA CCn1c(S)nnc1CNC(=O)Cc1coc2cc3c(cc12)CCC3 170621470 SBBATRXXILTIIL-UHFFFAOYSA-N 356.451 2.681 0 50 FFAA O=C(NCc1cccc(OC(F)F)c1)[C@H]1COCCN1C1CCCC1 170610281 SEBUGOICVXTNOO-MRXNPFEDSA-N 354.397 2.548 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC(O)(c3ccccn3)CC2)c1 1506398199 AFKOMUYKUNHYGE-GOSISDBHSA-N 367.493 2.859 0 50 FFAA COc1c2occc2c(OC)c2c(=O)cc(C(=O)Nc3nccn3C)oc12 1506427631 YCDVTKOBCPOWCV-UHFFFAOYSA-N 369.333 2.542 0 50 FFAA CNc1nc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cs1 1506420374 ASVKWAJIYFJMRV-HNNXBMFYSA-N 361.467 2.885 0 50 FFAA COc1ccc(F)cc1C(=O)N1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 213125097 GJWREMUIWYNHIH-CVEARBPZSA-N 361.344 2.914 0 50 FFAA CCC[C@H]1CN(C2CCN(c3ccccc3OC)CC2)C[C@@H]1NC(C)=O 219359692 ATZPRANUFOFVSH-HKUYNNGSSA-N 359.514 2.901 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1529167994 UZWZNOSCHIHTSK-OXQOHEQNSA-N 363.465 2.519 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc(CN4CCCCC4)cs3)C[C@H]2O)n[nH]1 1529161798 QHAPWCIATPPMRM-YLJYHZDGSA-N 374.554 2.801 0 50 FFAA Cc1cc2ccccc2n1CCNc1nccc(N2CCC[C@@H](O)C2)n1 1529198969 QXSBJOLULKNRLM-QGZVFWFLSA-N 351.454 2.813 0 50 FFAA Cc1cc(C)n(-c2ccccc2CN2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704337048 RJWZSNLSZDDZMS-IRLDBZIGSA-N 362.477 2.920 0 50 FFAA O=C(c1ccc2nn[nH]c2c1)N1CCC2(CC1)OCCc1sccc12 1704299985 WPZQAJWPICGEIZ-UHFFFAOYSA-N 354.435 2.724 0 50 FFAA NC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 815148 RFGGOOZDXRSKCF-UHFFFAOYSA-N 368.220 2.986 0 50 FFAA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc3c(c1)OCO3)C(=O)N2 916933 KJACBIFCQKZCDY-OAHLLOKOSA-N 353.378 2.794 0 50 FFAA Cc1ccc(N2CCC(N3CCC([C@H](O)CO)CC3)CC2)cc1Cl 1772708787 JRVGKQZXZBCLDO-LJQANCHMSA-N 352.906 2.682 0 50 FFAA COCc1ccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 12027515 WGPWBDKJGNEWLO-ZDUSSCGKSA-N 350.484 2.948 0 50 FFAA CO[C@H](C(=O)N1CCC(=O)N(Cc2ccccc2F)CC1)c1ccccc1 12279485 SVDJJDAUYSVYKO-FQEVSTJZSA-N 370.424 2.774 0 50 FFAA COCc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1 12466432 VOGVLEPVZBCGNU-AWEZNQCLSA-N 374.412 2.847 0 50 FFAA COC(=O)[C@H](CCSC)NC(=O)c1ccc2oc(C(C)C)nc2c1 12581443 ZBSONGULUNYAFW-LBPRGKRZSA-N 350.440 2.976 0 50 FFAA O=C(O)CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 2877407 YTKJGFPTLKSXPR-UHFFFAOYSA-N 370.361 2.831 0 50 FFAA CCO[C@H](NC(=O)c1ccccc1)[C@@H](NC(=O)c1ccccc1)OCC 2900565 SSESRMHURAXLED-PMACEKPBSA-N 356.422 2.572 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccc(F)cn4)CC3)nn(C)c21 1857528562 BDGIASNZSPDGRP-OLZOCXBDSA-N 372.444 2.996 0 50 FFAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc3ccccc3n2)o1 1857528899 YZJFHODXNGBAPI-XOBRGWDASA-N 364.405 2.916 0 50 FFAA O=C(NCc1cc(-c2ccccc2Cl)on1)c1ccn2ncnc2c1 1857680213 IEZBYYWQRXMOCI-UHFFFAOYSA-N 353.769 2.968 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)C[C@H]1CCCOC1)CC2 1857695625 RKIDJWQAVUWPOP-MRXNPFEDSA-N 353.466 2.831 0 50 FFAA Cc1ccc(OCCC(=O)N2CC[C@@H](N)C[C@H]2C)c(Br)c1 237386379 FBHHQFGYKDFUBM-CHWSQXEVSA-N 355.276 2.865 0 50 FFAA NC1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CC1 237853826 AJJNUKKKBVLUCG-UHFFFAOYSA-N 373.766 2.503 0 50 FFAA N[C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)C1 237983725 HNSRBQKLRIQHBY-LLVKDONJSA-N 365.264 2.841 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 238069090 NOZDHAGARZLPEM-LSDHHAIUSA-N 351.830 2.926 0 50 FFAA C[C@@H]1CCC[C@H](CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 131663280 JPMLQWYIXZSRPW-OLZOCXBDSA-N 350.488 2.932 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1875395278 VFUHTQZAQWAIQR-KGLIPLIRSA-N 370.453 2.819 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](OCC(F)(F)F)C2)cc1 919985778 XQTLEPJTTMHHDH-HNNXBMFYSA-N 370.371 2.672 0 50 FFAA Cn1c(-c2cn[nH]c2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 858872031 OUPXGRTZLKFLHO-MRXNPFEDSA-N 372.860 2.809 0 50 FFAA O=C(O)CCc1cccc(CO)c1-c1cccc([C@H](O)C(F)(F)F)n1 1875279214 DUUCGCZIJAVOCW-INIZCTEOSA-N 355.312 2.854 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1N=c1ccc(Cl)c(C(F)(F)F)[nH]1 1875399167 QQWRTXFHHOJFMM-MVWJERBFSA-N 360.767 2.624 0 50 FFAA Cc1ncc(C)c(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@]4(C3)CC4(F)F)C2)n1 1875408124 PABJAPBWMXDWDW-WSMBLCCSSA-N 350.413 2.978 0 50 FFAA O=C(Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3)c1ccccc1 1425820 ZCFGKXBRAYTGAM-UHFFFAOYSA-N 364.430 2.867 0 50 FFAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC[C@H]1CCCO1 4492490 LNBRMIJBDMTZQS-KDOFPFPSSA-N 374.437 2.826 0 50 FFAA Cn1cncc1CN1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 2100539287 BAJDYKNOTLNBGC-UHFFFAOYSA-N 355.486 2.693 0 50 FFAA C[C@H](Cc1coc2ccccc12)NC[C@@]1(N2CCOCC2)CCCOC1 2325750490 QOQIMRSZBZSGMV-UTKZUKDTSA-N 358.482 2.835 0 50 FFAA O=C(Cc1ccc(Br)cc1O)N[C@@H]1CCC[C@@H]1n1cccn1 2325770213 XOIRWTOQPFAASZ-KGLIPLIRSA-N 364.243 2.804 0 50 FFAA CN1CCC(Oc2ncc(-c3cc(N)ccc3CC(C)(C)O)cn2)CC1 2325773062 NNVYQHQFADWGDW-UHFFFAOYSA-N 356.470 2.512 0 50 FFAA CCC[C@@](O)(CN1CCC(c2nc(C)c(C(=O)O)[nH]2)CC1)C(F)(F)F 2325790266 AUDZCVLVVGWNKG-OAHLLOKOSA-N 363.380 2.689 0 50 FFAA C[C@H]1C[C@H](c2ccccc2)CN1c1ccc(C(=O)N2CCNCC2)cn1 2325798648 MMABHZSABCTEDK-LPHOPBHVSA-N 350.466 2.509 0 50 FFAA CC(C)[C@@H](NC(=O)C(=O)Nc1cnn2cccnc12)c1ccc(Cl)cc1 2325818566 KNIMCEBBKSLOLZ-OAHLLOKOSA-N 371.828 2.835 0 50 FFAA CCc1cc(SCc2cnc3nc(=N)[nH]c(N)c3n2)c(C)cc1OC 2325865690 MHGDXOVOEXGHSO-UHFFFAOYSA-N 356.455 2.586 0 50 FFAA O=C(COC(=O)c1ccc2cccnc2c1)NC[C@H]1Cc2ccccc2O1 2325868899 PPQVVZILYJEWPX-QGZVFWFLSA-N 362.385 2.512 0 50 FFAA COc1ccc(C2C(C(=O)O)C(c3ccc(OC)cc3)C2C(=O)O)cc1 754193 PCQGFNFDLGXLPB-UHFFFAOYSA-N 356.374 2.986 0 50 FFAA COc1ccc(-c2c(C)oc3cc(OCC(N)=O)ccc3c2=O)cc1OC 1128546 NLAYNJIYHUNEPF-UHFFFAOYSA-N 369.373 2.650 0 50 FFAA biogenic COc1c(F)cccc1C(=O)N1CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356154877 NVKLGFUABMFYFF-HNAYVOBHSA-N 367.417 2.548 0 50 FFAA COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C 2749774 KEAAKMHFBQPBEK-UHFFFAOYSA-N 352.437 2.859 0 50 FFAA Cc1n(C)c2cc(Cl)c(Cl)cc2[n+]1CCCCS(=O)(=O)O 3127923 KEUFYLFINMOARV-UHFFFAOYSA-O 352.263 2.749 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1 133651777 UTIMEIIEKIEURW-GIVPXCGWSA-N 366.461 2.665 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCn1cncn1)CCO2 67982933 DUMUDMORBFJTBB-UHFFFAOYSA-N 350.422 2.854 0 50 FFAA COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 3953891 BLGXFZZNTVWLAY-VNILZJCRSA-N 354.450 2.647 0 50 FFAA in-vitro O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2cc(F)ccc2C1 463534223 GSVHTILITRYIDX-MRXNPFEDSA-N 371.387 2.838 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([C@@H]2CCCN2)s1 20999647 OMBIWJXHIJCCQF-ZDUSSCGKSA-N 353.451 2.888 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1CCOC1 67934680 ICVUBXYSQNHWKS-CQSZACIVSA-N 366.396 2.931 0 50 FFAA Cc1sc2ncc(-c3nc(C4CC4)nn3-c3ccccn3)c(=O)n2c1C 65525909 GVVBJADOXDXVQM-UHFFFAOYSA-N 364.434 2.893 0 50 FFAA OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1Cc1ccsc1 23128545 MWEKLXCIPCMJKW-INIZCTEOSA-N 374.535 2.822 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)cc1 65363579 COZLQLSMBFMKTP-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 72458574 ILPPVVFEBQQQCP-CQSZACIVSA-N 366.421 2.898 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1Cc1ccccc1 32587030 FTXYJDFRESWDLT-FPOVZHCZSA-N 367.493 2.564 0 50 FFAA CCO[C@H]1C[C@](O)(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1(C)C 436994398 MPQKXNBTQVRALE-LRDDRELGSA-N 362.253 2.995 0 50 FFAA O=C(Cc1ccccc1O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77518027 XTCKVOLVLIZCNX-OAQYLSRUSA-N 356.466 2.576 0 50 FFAA Cc1cc(O)ncc1C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 328629456 IGELPYYGVYUBTG-OAHLLOKOSA-N 372.494 2.679 0 50 FFAA C[C@@H](C(=O)N1CCN[C@@H](c2cccc(F)c2)C1)n1cnc2ccccc21 328658618 RJTACLZPXBAVTN-KBXCAEBGSA-N 352.413 2.910 0 50 FFAA COc1ccc2oc(CN[C@H]3CCN(C(=O)c4ccncc4)C3)cc2c1 362402709 QRIOAWMFBYSPNS-INIZCTEOSA-N 351.406 2.841 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1ccc(N2CCN(C)CC2)cc1 215880693 SMDSQJDJFCILNE-UHFFFAOYSA-N 358.511 2.518 0 50 FFAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 241846681 SMTXZJPHXDMYAD-XIRDDKMYSA-N 350.484 2.665 0 50 FFAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H](C)n3cnc4ccccc43)C2)no1 171485782 KGEAXOLFCLGBEW-ZFWWWQNUSA-N 353.426 2.770 0 50 FFAA COc1ccccc1[C@@H]1CN(c2nc(CO)cs2)[C@@H]2C3CCN(CC3)[C@H]12 72149681 SOYFQPCQRWMFBS-QXAKKESOSA-N 371.506 2.711 0 50 FFAA Cc1ccc(NCCCNC(=O)CN2CC[C@H](c3ccccc3)C2)nc1 219918819 YWNXMVULBFIVMZ-IBGZPJMESA-N 352.482 2.798 0 50 FFAA COc1cc(OC)cc([C@@]2(F)CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)c1 368479398 SXUBKFZHMSKUPF-RNODOKPDSA-N 373.428 2.629 0 50 FFAA Cc1ccc(NC(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)cc1C(=O)N1CCCCC1 333346832 QSYZKXCVHKSLBR-KFKAGJAMSA-N 370.497 2.822 0 50 FFAA O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(n2cnnc2O)CC1 370460918 OYJDRMQMWIKUHZ-UHFFFAOYSA-N 371.319 2.593 0 50 FFAA O=C(N1CCC(OCc2ccccn2)CC1)C1(N2CCCC2)CCCC1 219530558 NJJGVAPLDVNGFL-UHFFFAOYSA-N 357.498 2.998 0 50 FFAA CC[C@@H]1C[C@H](CC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)CCO1 333756218 OHEADEVPWWOCKO-KZNAEPCWSA-N 350.503 2.879 0 50 FFAA Cc1c(C(=O)NC[C@@H](N)C2CC2)nnn1-c1ccc(-c2ccccc2)cc1 237799848 MWLABXLVNTXVAG-LJQANCHMSA-N 361.449 2.710 0 50 FFAA O=C(O)CS(=O)(=O)CCN1CCC(c2cccc3ccccc23)CC1 262345176 ZQFILLPBQJAMLP-UHFFFAOYSA-N 361.463 2.519 0 50 FFAA CC(C)c1cc(C(=O)NCCCc2nc3ccccc3o2)nc2ncnn12 215709053 KEGWOGMDKYGNGA-UHFFFAOYSA-N 364.409 2.752 0 50 FFAA Cc1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 172772742 QUMJAQJZNSENSY-INIZCTEOSA-N 357.454 2.648 0 50 FFAA CCn1nccc1-c1cc(C(=O)OC)n2nc3nc(C)cc(C)c3c2n1 13645330 UJDGJWGKUAFFJP-UHFFFAOYSA-N 350.382 2.564 0 50 FFAA Cc1c(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n[nH]c1-c1ccc(Cl)cc1 72147245 JUGOQVQMJYQFHK-GOSISDBHSA-N 374.828 2.705 0 50 FFAA O=C(CCNC(=O)N1CCC(Cc2cccnc2)CC1)N1CCCCCC1 378432039 XNDHJHOPKMTKDP-UHFFFAOYSA-N 372.513 2.838 0 50 FFAA COc1nc2c(cc1CNC(=O)c1ccco1)C(=O)N(C1CCCC1)C2 71715333 AQEUUUFCBDDGOV-UHFFFAOYSA-N 355.394 2.512 0 50 FFAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 77555655 OKDORGNOYXEUIW-HNNXBMFYSA-N 354.458 2.518 0 50 FFAA CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3F)cc21 174254855 RJRFDOZNPBOPIN-UHFFFAOYSA-N 363.414 2.719 0 50 FFAA O=C(Nc1cccc(-n2cnnc2)c1)N1CCCC[C@@H]1CN1CCCC1 426414664 PCKBBOWCBZRBHX-GOSISDBHSA-N 354.458 2.750 0 50 FFAA Cc1ccc(C(=O)NCCc2nc(C)c(Cl)s2)cc1OCCN 426641404 QZXCQQGZLRXVAF-UHFFFAOYSA-N 353.875 2.723 0 50 FFAA Cn1cc(SCC(=O)NC[C@H](CO)Cc2ccco2)c2ccccc21 426503596 SFCJVRSENYVHQU-CQSZACIVSA-N 358.463 2.831 0 50 FFAA Cc1cc(C(=O)NCc2noc([C@@H]3CCCO3)n2)c2ccc(F)cc2n1 82083554 GXPZCPSWFVAWEP-HNNXBMFYSA-N 356.357 2.847 0 50 FFAA CN(C)C(=O)CCc1ccc(NC(=O)N2CCC[C@H]2Cn2cccn2)cc1 426584194 YXBMCKZIXSKCLA-SFHVURJKSA-N 369.469 2.600 0 50 FFAA O=C(NCc1ncc[nH]1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 426552418 YHSXYEOPHFLBAT-OAQYLSRUSA-N 367.497 2.998 0 50 FFAA O=C(NCc1ccc2nonc2c1)N1CCC[C@H](OCc2ccccn2)C1 426641519 YWDIYGVCTOYRKS-INIZCTEOSA-N 367.409 2.509 0 50 FFAA Cc1cc(-n2cccn2)ccc1-c1cn([C@@H](Cc2ccncc2)C(=O)O)nn1 95354666 HMOJYMNOPWNHMK-IBGZPJMESA-N 374.404 2.703 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 91906569 NXAGIRMBBHTSOT-MRXNPFEDSA-N 362.437 2.775 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)N2CCN(c3cccnc3)CC2)c1C 426555483 JERPOUIEOFXNHO-CQSZACIVSA-N 356.474 2.508 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)NCCCSCc2ccccc2Cl)C1 91876689 GFCSNKPKBBXCRD-ZDUSSCGKSA-N 369.918 2.870 0 50 FFAA COc1ccc(C(=O)NCc2ccc(C)c3ncccc23)cc1OCCN 426740414 IKOCKJMOJKBFMN-UHFFFAOYSA-N 365.433 2.819 0 50 FFAA Cc1cccc(-c2ncc(-c3cn(CCCN4CCCC4=O)nn3)cn2)c1 91649991 LXHGUXPANFIVFF-UHFFFAOYSA-N 362.437 2.723 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@]4(CCCN(C)C4=O)C3)cc2)n1 91476053 LHVIKIFZSHMXNY-NRFANRHFSA-N 366.465 2.574 0 50 FFAA O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N[C@@H]1CCOC1 179152261 PATOQCDQHRHQKF-QGZVFWFLSA-N 350.422 2.673 0 50 FFAA CCOc1ccccc1CC(=O)N1CCC2(CCC(=O)N(CC)C2)CC1 92046228 LEZYGYGFQGFLPD-UHFFFAOYSA-N 358.482 2.879 0 50 FFAA O=C(c1ccc2[nH]cnc2c1)N1CCC2(CC1)Nc1ccccc1NC2=O 91416539 AYLNLWUDJZFRFC-UHFFFAOYSA-N 361.405 2.602 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 253378520 PSLYZUDHNWBKBF-JTDSTZFVSA-N 356.422 2.649 0 50 FFAA Cc1cc(C2CCC2)nc(-c2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2)n1 534577623 AYECRNHQPZFCPS-QGZVFWFLSA-N 364.449 2.728 0 50 FFAA NC(=O)C1CCN(C(=O)Nc2ccccc2CCc2ccccn2)CC1 299782855 XHTUUYDVOGHRIX-UHFFFAOYSA-N 352.438 2.596 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2F)C12CCOCC2 185078013 FTJDYQQMRHRQJT-IAGOWNOFSA-N 351.418 2.685 0 50 FFAA CC[C@@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(C)c(C)s1 822668765 DQILYQRTCMEVMP-CYBMUJFWSA-N 359.451 2.996 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1-c1nccn1C 952972781 WIFBAIUZNMJSIV-UHFFFAOYSA-N 374.404 2.929 0 50 FFAA COc1cccc(C[C@H]2CN(C(=O)Cc3cc(C)ccc3F)CCN2)c1 1454344440 JPQCCTHECMGUQO-SFHVURJKSA-N 356.441 2.728 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)cc1F 1565513287 KFLOQULEXOSAHV-QAPCUYQASA-N 367.424 2.906 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N[C@H]1CCNC[C@@H]1O 1565510033 LCXGGBGJTMPUCK-PMACEKPBSA-N 369.465 2.543 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(Cc1cnc3cnccn13)CC2 275635902 JYDPHAROYXKKSM-INIZCTEOSA-N 368.510 2.672 0 50 FFAA COCCC(=O)N1CCC(NC(=O)N2C[C@@H](C(C)C)c3ccccc32)CC1 278890164 PPSLFLXEOMIFAZ-SFHVURJKSA-N 373.497 2.983 0 50 FFAA Cc1cccn2c(CC(=O)N(C)Cc3ccc4nsnc4c3)cnc12 1506421831 MLNCDPXLOBHNDS-UHFFFAOYSA-N 351.435 2.849 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)[C@H]2CC(C(C)C)=NO2)CC1 1506405510 FGHDFAJRVXQJDZ-HXUWFJFHSA-N 372.513 2.738 0 50 FFAA O=C(N1CCCC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 215418528 XAUGMHWKEPWXBJ-MOPGFXCFSA-N 355.482 2.758 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(F)c2)cc1OC 1529098515 HKQNMMAYZQDYKA-WOJBJXKFSA-N 361.413 2.777 0 50 FFAA COc1ncccc1CN1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1529162449 ZTDRVJDWKZUPLQ-HXUWFJFHSA-N 365.477 2.855 0 50 FFAA CCc1cc(S(=O)(=O)N2C[C@H]3CCC[C@](O)(CC)[C@H]3C2)ccc1OC 1704333672 CQEGEGCCEUSOOT-HHXXYDBFSA-N 367.511 2.819 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 818576 LIUGOEIITPOKAD-UHFFFAOYSA-N 372.402 2.758 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)nc2cc(F)ccc12 1775982171 ROKPCHLUYOUNSW-SFHVURJKSA-N 357.429 2.900 0 50 FFAA CN(C)c1cc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)ncn1 12436317 HJXYJPBKKBHHGE-IBGZPJMESA-N 366.513 2.676 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)cc1OC 12975425 ZGZGWXWLWOWRCP-CQSZACIVSA-N 352.412 2.526 0 50 FFAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1CCc1ccncc1 15008247 AEOWTLJZISZCCB-LJQANCHMSA-N 371.456 2.813 0 50 FFAA COC(=O)c1cc(NC(=O)COc2ccccc2C)cc(C(=O)OC)c1 5102476 YSAUFVAZCGXSGN-UHFFFAOYSA-N 357.362 2.586 0 50 FFAA C[C@H](C(=O)N1CCCCC1)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857672502 DPKVPUDHXXPJTD-QGZVFWFLSA-N 366.509 2.889 0 50 FFAA O=C(c1ccc(N2CCc3[nH]nc(C4CC4)c3CC2)nc1)N1CCCCC1 1857676377 RSOZEUUYVPZRQW-UHFFFAOYSA-N 365.481 2.913 0 50 FFAA C[C@@H](O)c1nc(CCCCc2nc3ccccc3s2)n(CCCO)n1 1857726805 CZRUIZWGWIRTIL-CYBMUJFWSA-N 360.483 2.889 0 50 FFAA CN(C)c1ccc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)cn1 113094580 NJDPWMBNUCASGP-UHFFFAOYSA-N 352.482 2.884 0 50 FFAA O=C(Nc1ccc([C@H]2CNCCO2)cc1)NC1([C@@H]2CCCCO2)CCC1 868171810 UPPGPQHXOKPNGW-MSOLQXFVSA-N 359.470 2.961 0 50 FFAA Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1Cc1cnon1 952893614 IFEYNLGCCCKOQD-QGZVFWFLSA-N 357.389 2.585 0 50 FFAA Cc1ncccc1CC(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848540 OQUDRODWCYOMNX-SJORKVTESA-N 351.454 2.580 0 50 FFAA COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C(C)(C)Oc1cccc(C(C)C)c1 1875269615 MNYPCBDQGOHACW-NVXWUHKLSA-N 363.454 2.662 0 50 FFAA CN(CCNC(=O)NCCn1ncc2ccccc21)Cc1ccc(F)cc1 1875354199 CRTARPOQFFKBIS-UHFFFAOYSA-N 369.444 2.607 0 50 FFAA O=C(NCc1ccccc1)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 891418346 LQBZEOYBGPYWAK-GOSISDBHSA-N 358.463 2.758 0 50 FFAA Cc1ncc2c(n1)CC[C@H](C(=O)OCc1nc(-c3ccccc3C)no1)C2 2325780745 MSSXOTNWGXLNJT-AWEZNQCLSA-N 364.405 2.992 0 50 FFAA Cc1cc(C)c2c(C)c(C(=O)N3CC[C@@]34CCCS(=O)(=O)C4)[nH]c2c1 2325783270 JRFCCRKYXZRYLK-LJQANCHMSA-N 360.479 2.886 0 50 FFAA CC(C)(C)c1nccc(CCCNC(=O)NCc2ccc3nccn3c2)n1 2325810863 KVZRCSFSQUTTJH-UHFFFAOYSA-N 366.469 2.854 0 50 FFAA CN1C(=O)N(Cc2ccncc2C(F)F)S(=O)(=O)c2ccccc21 2325866793 ABFNPXMFZMZYJS-UHFFFAOYSA-N 353.350 2.780 0 50 FFAA CC(C)N(C)Cc1cccc(CNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c1 1443647824 TYSQADOCNBXULX-FQEVSTJZSA-N 369.513 2.947 0 50 FFAA O=C(NCC(c1ccccc1)c1ccccc1)C12C3C4C1C1C2C3C41CO 2332239237 UAZUXKKVWUEZKI-UHFFFAOYSA-N 357.453 2.665 0 50 FFAA Cc1cccc(C)c1CNc1cc(C(=O)NCCO)cn2c(C)c(C)nc12 1547156 GHVIMBCFLRTFHI-UHFFFAOYSA-N 366.465 2.902 0 50 FFAA in-man CCC[C@@]1(C(=O)O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC[C@@H]1O 2356168490 GGNKZKGAHJMEQC-XJKSGUPXSA-N 359.344 2.783 0 50 FFAA COC(=O)c1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1 6743507 NECRFYDSRIYUDL-UHFFFAOYSA-N 355.325 2.592 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)c(C)o1 222215073 KMXXLTKQQBSPTE-AMKSKSKJSA-N 360.435 2.778 0 50 FFAA Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCn1ccc2ccccc21 55237808 SOBGCVDLWABLRZ-UHFFFAOYSA-N 366.874 2.705 0 50 FFAA CCOc1ccccc1OCCN(C)C(=O)c1cnn2cc(C)cnc12 55370461 BCVYDEASQDUJTC-UHFFFAOYSA-N 354.410 2.587 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)NCc1cccnc1OCC 65492655 AJDBNOKDDPNQGK-UHFFFAOYSA-N 357.410 2.524 0 50 FFAA O=C(NCCSCc1ccccc1)N1CCN(c2ccccn2)CC1 54103643 RPBSZWPBEOWLHX-UHFFFAOYSA-N 356.495 2.847 0 50 FFAA CCC(=O)c1ccc(OCC(=O)N2CCCN(c3ccncc3)CC2)cc1 55253624 HNSRDEWVERMZDB-UHFFFAOYSA-N 367.449 2.792 0 50 FFAA Cc1ccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)nn1 65460163 CAKPNQIWFJCRCI-UHFFFAOYSA-N 364.405 2.836 0 50 FFAA CCNc1ncc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cn1 65369741 WNVAAQACMYHJAE-KRWDZBQOSA-N 351.385 2.962 0 50 FFAA CCc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2cc(OCC(=O)O)ccc21 65371324 HTVSNWLVQCJVRW-NSHDSACASA-N 363.801 2.573 0 50 FFAA COC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc(C(N)=O)c1C 648305 BPNXLEYGFNKKIA-UHFFFAOYSA-N 366.826 2.777 0 50 FFAA O=C1CCCCCN1C(=O)c1cccc(C(=O)N2CCCCCC2=O)c1 826900 HXZRLUTUNSQNCG-UHFFFAOYSA-N 356.422 2.772 0 50 FFAA O=C(C[C@@H]1CCCCO1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 252484966 GLCLUEYMDRFVCO-INIZCTEOSA-N 366.483 2.805 0 50 FFAA CCn1cc(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cn1 2780411 BZVDXKTXCUXUMQ-UHFFFAOYSA-N 363.771 2.739 0 50 FFAA COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=S 2789619 SFBYJLNXIZQAQI-INIZCTEOSA-N 352.415 2.532 0 50 FFAA CCN1CCCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1=O 252533219 GGXTYMFGQZMNFL-UHFFFAOYSA-N 362.861 2.628 0 50 FFAA O[C@H]1Cc2ccccc2C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 72153347 IBRICEGHLISIEV-NRFANRHFSA-N 372.472 2.989 0 50 FFAA CO[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 6417432 YPMRNXCFHLOPNW-SFHVURJKSA-N 351.406 2.811 0 50 FFAA Cn1nccc1C(=O)Nc1sccc1C(=O)NCCc1ccccc1 6827579 VHQVUZLSMZRORB-UHFFFAOYSA-N 354.435 2.706 0 50 FFAA C[C@@H]1CCCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 229707549 QGJBKLDOKGHNEB-XYPHTWIQSA-N 364.486 2.617 0 50 FFAA O=C(O)[C@]1(Cc2ccc(F)cc2F)CCCN(c2ncnc3[nH]cnc23)C1 71750640 SUJJACXPMSWFLD-SFHVURJKSA-N 373.363 2.545 0 50 FFAA CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)N1CCCC1 77516201 QXBJZNYPSACPGJ-QGZVFWFLSA-N 365.518 2.720 0 50 FFAA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)c(=O)c1 328608577 ZTRDUBFYEKLCCN-MRXNPFEDSA-N 374.510 2.556 0 50 FFAA CN(C)[C@H]1CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 72163217 QBUVRXWFBDCIRY-XGNNGGHXSA-N 371.529 2.516 0 50 FFAA O[C@]1(CN2CCCC2)COCCN(c2nc3ccc(Cl)cc3s2)C1 77565091 GFGNLZMZWKMQPU-KRWDZBQOSA-N 367.902 2.613 0 50 FFAA CCN(CC(C)(C)O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 363970749 MNKGPZUCMSWLSD-ZDUSSCGKSA-N 355.429 2.594 0 50 FFAA Cn1ncc2c(N3CCN[C@@H](c4ccccc4)C3)nc(-c3ccncc3)nc21 72476901 IUABAPJJQSMFBC-GOSISDBHSA-N 371.448 2.576 0 50 FFAA OC1(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)CCOCC1 238158144 COZQLQZYPYFXKF-UHFFFAOYSA-N 364.449 2.565 0 50 FFAA CC(C)CN1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NC2CCCC2)C1 14995989 UANZZGJCVBVIPD-AZUAARDMSA-N 365.562 2.504 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccccc2)C(C)C)C1 72437714 XPRAHMPATQEPKG-DLBZAZTESA-N 352.500 2.562 0 50 FFAA C[C@H](CN1CCOCC1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 77460064 OUCIYDJWZHOYGV-OAHLLOKOSA-N 366.889 2.678 0 50 FFAA Cc1c(O)cccc1C(=O)N1CCC[C@@]2(C1)C(=O)N(C)c1ccccc12 72154444 YBFSNQBBPAIARK-NRFANRHFSA-N 350.418 2.851 0 50 FFAA C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 333956115 GTIJXAVYRGTXEQ-LBPRGKRZSA-N 369.387 2.528 0 50 FFAA C[C@@H](Cc1cn(C)c2ccc(F)cc12)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 333914648 MKSMAGHBOGJALL-XEZPLFJOSA-N 365.474 2.567 0 50 FFAA O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CC=CCC1 71760845 CZVXRKGHEGNDAJ-FQEVSTJZSA-N 368.525 2.547 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCC[C@@H]1CCC(=O)O 237733308 GVSFPNGKCJHEAF-CYBMUJFWSA-N 362.455 2.712 0 50 FFAA CN(Cc1ncc[nH]1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 221164757 ROPYQIBNZIRMHN-UHFFFAOYSA-N 367.375 2.699 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(C)nn3C)C2)c1 283842291 BAMZYFZJXHAXEA-QGZVFWFLSA-N 368.481 2.514 0 50 FFAA C[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1)n1cc(Cl)cn1 82126777 VZCJAXLDZZWUTO-NSHDSACASA-N 367.236 2.626 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)c2cnc3cc(C)ccn3c2=O)ccc1F 176732648 AYSFPUTWVXRNOO-UHFFFAOYSA-N 366.352 2.519 0 50 FFAA Cc1nnc(SCCCNC(=O)N(C)Cc2c(C)noc2C)s1 426715828 FQLZKKFZRTYZKI-UHFFFAOYSA-N 355.489 2.775 0 50 FFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NCc1cccc2cccnc12 286680959 HGYNPLWMNAJKLR-GUDVDZBRSA-N 369.465 2.960 0 50 FFAA Nc1nc(C2CC(N)C2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 223236506 IVTFXZAGWRYRGA-UHFFFAOYSA-N 373.888 2.965 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)CCCn3nc(C)cc3C)C2)CCC1=O 85533958 ZRIZIYHKYYMBPZ-HXUWFJFHSA-N 360.502 2.531 0 50 FFAA Cc1sc2nc(CNC(=O)c3cnc(-c4ccncc4)nc3)cn2c1C 95392037 CTDRHLVMYXDBLC-UHFFFAOYSA-N 364.434 2.795 0 50 FFAA O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)CO)CC1 95500238 GMTIXFOANOWGDP-UHFFFAOYSA-N 372.396 2.787 0 50 FFAA Cn1cncc1CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91694603 REPIRWLOJNZJMI-UHFFFAOYSA-N 374.435 2.713 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccc(-n2cccn2)cc1)c1ccccc1F 95383051 GNUWIMRPYGJFLB-IBGZPJMESA-N 352.413 2.931 0 50 FFAA Cn1c(Cn2cncn2)nnc1C1CCN(C2CCCCCCC2)CC1 91725852 YCIGUZBPAVBTEX-UHFFFAOYSA-N 357.506 2.747 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)C3(Cn4cccn4)CC3)C2)cc1 95358542 NTUBCENFAWKPSH-QGZVFWFLSA-N 353.422 2.768 0 50 FFAA CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)cc1 426496954 PYHJDXJGIOLYQN-HNNXBMFYSA-N 352.434 2.964 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc2o1 91452691 PSSBHAHDMPAEOU-MAUKXSAKSA-N 369.465 2.852 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1cc(C)cc(C)n1)CC(=O)N2 91474568 WQBNWPGDERQHNK-KRWDZBQOSA-N 353.422 2.791 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)c[nH]1 91452375 DSVUHKUNZXJKSM-OAQYLSRUSA-N 368.433 2.897 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CN(C)Cc1ccc(F)cc1)C2 91680717 FOFJDPJUJHXNPI-INIZCTEOSA-N 372.440 2.634 0 50 FFAA NC[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)C1 178529601 HEUMCXAVYFDHJU-JTQLQIEISA-N 361.667 2.679 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2snnc2-c2ccccc2)n1 95520861 AAJDMGIZSWLZEK-UHFFFAOYSA-N 357.443 2.625 0 50 FFAA O=C(O)[C@@H](c1ccc2c(c1)OCO2)N1CCC(OCc2cccnc2)CC1 95392971 LLDHMKFKCIGTBQ-LJQANCHMSA-N 370.405 2.617 0 50 FFAA O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1Cc1ccc(F)c(F)c1 91626082 VUYYVTCHNBMUKQ-UHFFFAOYSA-N 360.408 2.703 0 50 FFAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@@H](CO)c2ccccc2)cc1 252500753 TVAKQNADXZNOEX-IBGZPJMESA-N 365.433 2.786 0 50 FFAA CCOC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccc(O)nc1 184367459 UYIFHZZPHIJXMW-SFHVURJKSA-N 364.401 2.845 0 50 FFAA NCCCOc1ccc(C(=O)N[C@H]2CC(=O)Nc3ccccc32)cc1Cl 299773328 DWPKUBVFCQSWFJ-INIZCTEOSA-N 373.840 2.881 0 50 FFAA CN1CCN([C@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)CC1 299774330 GNQSBWODMXCWBV-ZDUSSCGKSA-N 356.392 2.559 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(Cc2ccncc2)C1 827763731 PNVCLOJAAIDIDR-CYBMUJFWSA-N 361.804 2.539 0 50 FFAA COc1cc(-c2cc(-c3c(C)nn(C)c3C)nc(N)n2)cc(OC)c1OC 824519500 SYHBKYUWZGWMOP-UHFFFAOYSA-N 369.425 2.769 0 50 FFAA C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCN1CC(C)(C)O 170086749 CLPXAACSFNPPTH-MRXNPFEDSA-N 362.489 2.941 0 50 FFAA Cc1ccc(OCC(=O)NC2CCC(Oc3cnccn3)CC2)c(C)c1 188262595 IJKGLAAOXTXMFQ-UHFFFAOYSA-N 355.438 2.979 0 50 FFAA CN(CC[C@H]1CCS(=O)(=O)C1)CC1(N2CCCCC2)CCCCC1 1529119596 KFJFVDVLOBHJJJ-SFHVURJKSA-N 356.576 2.932 0 50 FFAA CCCN1CCC(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1529126376 HWPNNJPHSCUHIO-XMSQKQJNSA-N 353.510 2.944 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(c2ncccc2F)CC1 1772813300 ZMOBDMCXYSXNMJ-UHFFFAOYSA-N 355.413 2.898 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)c2cc(C)nc(C)n2)CC3)c1 12316815 DUUGQLHWDGEYBB-UHFFFAOYSA-N 363.421 2.691 0 50 FFAA COc1ccc(F)c(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)c1 15070299 HRTXGMCNYTVSDK-MRXNPFEDSA-N 364.461 2.685 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)C1 19225843 LPZJSBURANZELJ-KRWDZBQOSA-N 368.481 2.938 0 50 FFAA COC(=O)c1c(NC(=O)C(=O)NC2CCC(C)CC2)sc2c1CCC2 4839754 JHMTXKIGHAPIEB-UHFFFAOYSA-N 364.467 2.657 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 2735184 MWOGXFFMSWEFLR-QGZVFWFLSA-N 360.435 2.913 0 50 FFAA CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2ccccc2Cl)c1=O 6755895 LHQVUHPIYHALRS-UHFFFAOYSA-N 374.824 2.902 0 50 FFAA O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 2465349 AMKDDDPVTMYZSU-UHFFFAOYSA-N 368.455 2.927 0 50 FFAA Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NC[C@@H]1CCCO1 2497583 RTSDQUCWNJCTPL-LBPRGKRZSA-N 368.355 2.990 0 50 FFAA O=C(NCc1cccnc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 4759150 LVIQERJIUJSRKE-UHFFFAOYSA-N 371.396 2.808 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCCc1c(C)n[nH]c1C 1857668054 WTLNMOSFQRZSEA-UHFFFAOYSA-N 370.482 2.865 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC(C2CCNCC2)CC1 1857677337 WVVDGCFDESYKRT-UHFFFAOYSA-N 367.493 2.548 0 50 FFAA COCCn1ccnc1CN1CCc2nn(C)c(-c3ccccc3)c2CC1 1857695726 VRGRUHDYQPJTSD-UHFFFAOYSA-N 365.481 2.531 0 50 FFAA O=C(CCc1cccnc1)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857712615 RWBRUVMESYUJOV-GPQLQYNLSA-N 369.509 2.552 0 50 FFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc(Cl)c(N)c2Cl)n1 408066346 XKGWPBBREZDNBX-UHLUBPPHSA-N 371.224 2.869 0 50 FFAA CC(C)COc1ccc(C(C)(C)NC(=O)C2CCS(=O)(=O)CC2)cc1 330691831 BMWBHIKNINQPCK-UHFFFAOYSA-N 367.511 2.898 0 50 FFAA COc1ccc(Br)c(C(=O)N(C[C@H](C)C(=O)O)C2CC2)c1 237316275 BRCXSIAUWOPUFA-VIFPVBQESA-N 356.216 2.783 0 50 FFAA Cn1c(O)ncc(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)c1=O 333782371 VONHAJUTDVYCPM-MRXNPFEDSA-N 353.422 2.634 0 50 FFAA C[C@]12CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@]2(O)C(=O)O1 11612571 AALLCALQGXXWNA-JJBJBUIQSA-N 358.390 2.533 0 50 FFAA endogenous,in-man CCCOc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cn1 264460407 RVIOEZUMTVTKIW-INIZCTEOSA-N 371.437 2.775 0 50 FFAA CCc1cnc2ccccc2c1C(=O)NC[C@@H](C[C@H]1CCOC1)C(=O)O 1875277808 GULIUVJOYFBMMS-UKRRQHHQSA-N 356.422 2.654 0 50 FFAA Cc1c([C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[C@H]3C3CC3)CC(=O)N2C)cnn1C 1875274171 PLGNLDGHHNSRIE-YLAKUSLOSA-N 372.513 2.581 0 50 FFAA CN1CCC[C@@H](c2cccc(C(=O)NCc3nc(-c4ccco4)n[nH]3)c2)C1 1875268317 SAPGAJBNTSQYPE-MRXNPFEDSA-N 365.437 2.804 0 50 FFAA O=C(N[C@@H]1CC[C@@H]2CNCC[C@H]2C1)c1ccn(-c2ccc(F)cc2F)n1 1875292398 HHCUUYYFPLXHDQ-GZBFAFLISA-N 360.408 2.659 0 50 FFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2c([nH]1)CCC2 1875268720 VRXOJOQZVNDPJB-CQSZACIVSA-N 361.804 2.831 0 50 FFAA C[C@H](c1nnc2ccccn12)N1C(=O)N[C@@](C)(CC2=CCCCC2)C1=O 1875304542 NHZBHLFLLFXKEI-YJYMSZOUSA-N 353.426 2.991 0 50 FFAA O=C([C@@H]1CC=Cc2ccccc21)N1CCN(c2ncnc3[nH]ccc23)CC1 1875321064 SMFIXPKDEFPFFH-QGZVFWFLSA-N 359.433 2.807 0 50 FFAA CN1CCc2cc(C(=O)N3CCCSC[C@@H]3c3cnn(C)c3)ccc21 888888397 KFNALNOXTIHJDP-GOSISDBHSA-N 356.495 2.733 0 50 FFAA Cc1ccc([C@@]23C[C@H]2CN(C(=O)[C@H]2CN(C)C[C@@H]2c2cccnc2)C3)cc1 2325783920 KXOQARWYQVAADR-KGSLCBSSSA-N 361.489 2.835 0 50 FFAA O=C(NCc1cc(CO)n[nH]1)c1ccc(Oc2ccc(F)cc2F)cc1 2325821215 VSWDYISBPBTQHE-UHFFFAOYSA-N 359.332 2.903 0 50 FFAA COc1cccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)c1 871943 PPOPPNOXEONRJV-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA Cc1nc2cc(-c3cnc4c(N5CC[C@@H](O)C5)nccn34)ccc2s1 2356156566 IIXLNVISPDVERQ-CYBMUJFWSA-N 351.435 2.885 0 50 FFAA O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC(=O)NC1CCCCC1 225519889 SLRKJCSCQFDPJA-KSZLIROESA-N 365.518 2.551 0 50 FFAA CCc1cccc2c(CCNC(=O)CNC(=O)c3ccsc3)c[nH]c12 111646801 GLHUQAKZZQFCKH-UHFFFAOYSA-N 355.463 2.881 0 50 FFAA CN(Cc1ccoc1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67654110 RAARBSCZRHTHDM-OAQYLSRUSA-N 356.466 2.698 0 50 FFAA COc1ccc(S(N)(=O)=O)cc1-c1nc(C(C)C)nn1-c1ccccc1 65366122 QBKVFIPYRLXBLK-UHFFFAOYSA-N 372.450 2.714 0 50 FFAA COc1ccccc1N1CCC[C@H](Nc2ccc(C)c(C(N)=O)c2)C1=O 117377300 FPGSDRRUYLQRKJ-INIZCTEOSA-N 353.422 2.710 0 50 FFAA Cc1c(C(=O)NCc2nccn2Cc2ccccc2)cnn1-c1ccccn1 65404452 GWKYVNGXZDGCGI-UHFFFAOYSA-N 372.432 2.751 0 50 FFAA CCn1c(C2CCN(Cc3cc(C)cc(C)c3OC)CC2)nn(C)c1=O 67713263 NBGJRPOMHNYVIC-UHFFFAOYSA-N 358.486 2.607 0 50 FFAA COc1ccc(NC(=O)N2CCN(c3ccc(C)nn3)CC2)cc1Cl 65364215 OETNWUCUDJBPRD-UHFFFAOYSA-N 361.833 2.801 0 50 FFAA Cn1cc(C2=CCN(CCC(=O)N3CCCc4ccccc43)CC2)cn1 65404555 XRUAVLDLVJGHGX-UHFFFAOYSA-N 350.466 2.879 0 50 FFAA Cc1nn(C)cc1-c1nc2c([nH]1)C[C@@H](c1ccc(Cl)cc1)CNC2=O 65453128 XHSGDECIWZZXGP-GFCCVEGCSA-N 355.829 2.842 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)C[C@H]3CCCN3C)nc2)n1 20540961 WKZVJFAPOBGEJZ-MRXNPFEDSA-N 373.526 2.561 0 50 FFAA O=C(c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2)c1)N1CCCC1 67877213 BLAWZLZTSNQFQW-RBUKOAKNSA-N 370.474 2.757 0 50 FFAA CC(C)c1cc(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)on1 67784480 LSRIIPMOGCODSE-OAHLLOKOSA-N 367.453 2.661 0 50 FFAA CN(C(=O)c1cccnc1S)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 119521796 PIZRYMOJUYBLFY-GFCCVEGCSA-N 368.867 2.624 0 50 FFAA O=C(O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 12336763 QZLGYHOJUHNZKB-KXBFYZLASA-N 353.374 2.980 0 50 FFAA COc1ccc2nc(N3CCC(N4CCCN=C4O)CC3)c(C)nc2c1 328713804 SCVQLIZLOUCTRO-UHFFFAOYSA-N 355.442 2.535 0 50 FFAA CCOc1cc(CN2CCN(CC)C(C)(C)C2)ccc1O[C@@H](C)C(=O)O 216438218 WJCBKAVGUWINSJ-HNNXBMFYSA-N 364.486 2.853 0 50 FFAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1cc(F)ccc1Cl 328641371 XVGAJTZZKDNUFT-LLVKDONJSA-N 357.838 2.559 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(CC)nn3C)C2)CCC1=O 77299705 IAVWROJLDRJGOC-FQEVSTJZSA-N 360.502 2.627 0 50 FFAA COC[C@@H](O)CN(C)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 72411180 RBNGNJIPYAWFQH-HNNXBMFYSA-N 374.828 2.896 0 50 FFAA Cn1c(SCc2ccc(Br)cc2F)nc2c(=O)[nH]cnc21 12427873 ZSHVWDWUURRQHO-UHFFFAOYSA-N 369.219 2.851 0 50 FFAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(C)C)CC1 171162747 ZJLUXEQTQICGRA-SFHVURJKSA-N 363.477 2.569 0 50 FFAA O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc2[nH]cnc12 157918832 RVWOTJJLWHVUNU-AWEZNQCLSA-N 354.797 2.752 0 50 FFAA O=C(NCCc1nc2cc(F)ccc2[nH]1)c1csc([C@H]2CCCO2)n1 154397996 HNIRFGAOOKGRDU-CQSZACIVSA-N 360.414 2.983 0 50 FFAA COc1ccc([C@H](C)NC(=O)c2cc(C(C)C)n3ncnc3n2)cc1F 216017029 WHLIQHQRFJTQOB-NSHDSACASA-N 357.389 2.886 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccc(OC)cc3)CC[C@H]21 72457331 RSDROFNTRFCTBE-PKOBYXMFSA-N 358.482 2.877 0 50 FFAA COCCOc1cc(C)ccc1CNC(=O)N1C[C@H](C)OC(C)(C)C1 129729942 MXNSJBRLVCWXDY-HNNXBMFYSA-N 350.459 2.729 0 50 FFAA CCN1Cc2nc(OC)c(CN[C@@H](C)Cc3ccc(F)cc3)cc2C1=O 71774876 YKCIHQPXMLRPRD-ZDUSSCGKSA-N 357.429 2.926 0 50 FFAA CN(Cc1nc(C2CC2)no1)C(=O)c1cccc(CC2CCNCC2)c1 72163948 QWMIXFPBHMXXFR-UHFFFAOYSA-N 354.454 2.761 0 50 FFAA COCCCN(Cc1ccc(F)cc1)C(=O)c1c(C)cc(C)n(C)c1=O 216147549 FBJDUCUUORURLG-UHFFFAOYSA-N 360.429 2.820 0 50 FFAA C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCN1C[C@@H](C)O 331816933 LJBDLHKDJLRALL-NWDGAFQWSA-N 367.902 2.924 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)cc1 375712616 XYOFMHKRUWZQOQ-INIZCTEOSA-N 370.434 2.966 0 50 FFAA COc1cccc([C@H]2CN(Cc3nnc(C)s3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72149299 VTWGNAJJOCPPJK-MISYRCLQSA-N 370.522 2.917 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(-n2cnnc2)cc1 72475867 QBDJFYTZHQTNTQ-UHFFFAOYSA-N 358.405 2.725 0 50 FFAA CN1Cc2ccccc2[C@H](NC(=O)N(C)Cc2ccc3c(c2)OCO3)C1 378281315 RAYDSEVEIKZQDM-QGZVFWFLSA-N 353.422 2.743 0 50 FFAA COc1cccc(CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)c1 72126422 KZIPMHWJAOAHPH-KRWDZBQOSA-N 360.479 2.638 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 43847808 WFDYINGJEUVXKP-UHFFFAOYSA-N 374.441 2.556 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 176180247 XIZCICCJIVLPCW-HZPDHXFCSA-N 373.432 2.598 0 50 FFAA CC(C)(C)c1ccc(CN2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1 426535406 FTBIFZOQLHOXKW-LJQANCHMSA-N 359.514 2.990 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc2c(c1)CCC2 220282408 YDYKTVYWIUDFBE-WOJBJXKFSA-N 352.434 2.674 0 50 FFAA O=C(CCCOCc1ccccc1)N1CCOc2ccc(CO)cc2C1 221154163 JTAJEVDKXDXDIF-UHFFFAOYSA-N 355.434 2.897 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(Cl)c1Cl)C2 82087429 FQNKWPUTCIPRBX-UHFFFAOYSA-N 353.253 2.842 0 50 FFAA CC(=O)NCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 91537013 PSTWJEJUIINLAD-ZDUSSCGKSA-N 350.422 2.647 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3onc4c3CCCC4)CCO2)cc1 426534127 XALYGUAHNKTJNS-INIZCTEOSA-N 356.422 2.646 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCC(=O)Nc2ccccc2)c1 96140893 BKSDQRARQLWLCZ-UHFFFAOYSA-N 364.405 2.844 0 50 FFAA Oc1cc(CN2CCC(O)(Cn3ccnc3)CC2)nc2c(Cl)cccc12 91546978 IAYVRXDPFOICSJ-UHFFFAOYSA-N 372.856 2.817 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1C(=O)O 91643538 GRSDCQBSKABEAH-LSDHHAIUSA-N 374.462 2.720 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1F 91575155 DUWFKIKPAVSAQZ-FUHWJXTLSA-N 369.440 2.966 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCN(Cc3ccsc3)CC1)C2 95391847 JELHUUFIQTYLJN-KRWDZBQOSA-N 372.490 2.652 0 50 FFAA COc1ccc(F)c([C@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c1 95379974 IWJOPBCIHJMKTM-LJQANCHMSA-N 373.428 2.563 0 50 FFAA CCc1oc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)OC)nn2)cc1C 163089097 ZWIFFKCGZQMKEZ-UKRRQHHQSA-N 361.398 2.869 0 50 FFAA COc1ccc2oc(CNC(=O)CCc3n[nH]c4c3CCCC4)nc2c1 244858541 VNBCRJWPHAKFQL-UHFFFAOYSA-N 354.410 2.687 0 50 FFAA CNC[C@H]1CCCN1C(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 299739014 JMKPAHSWAGLZOJ-MRXNPFEDSA-N 357.502 2.772 0 50 FFAA C[C@H]1CN(C(=O)NCc2ncc(C(F)(F)F)cn2)Cc2ccccc2O1 297551596 PIDIYILKSUFVIO-NSHDSACASA-N 366.343 2.988 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)C(C)(C)NC(=O)c2cccs2)c1C 299777033 HUKOHMGBPAEOQQ-LLVKDONJSA-N 362.499 2.967 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)c1cccc(-c2ccncc2F)c1 299760018 TWAVLSJJGJQWBC-UHFFFAOYSA-N 368.412 2.910 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(C[C@H]2CCCCO2)CCO3)nc1 825195314 LKBUVWXOBIAGBI-HXUWFJFHSA-N 359.514 2.626 0 50 FFAA Cc1ccc([C@H](CC(=O)O)NC(=O)Cn2c(C)nc3ccccc32)cc1 1334138033 YVXBILQAGAVIEA-KRWDZBQOSA-N 351.406 2.985 0 50 FFAA Cc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)c(F)c1F 952874002 SPGDPRFAXBBDDO-JTQLQIEISA-N 359.332 2.970 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@H](CC(C)C)NC(C)=O 952973410 SLTQKCPFOPWZFX-HNNXBMFYSA-N 360.414 2.543 0 50 FFAA CC(=O)N[C@H]1CN(c2ncnc(Oc3cccnc3C)c2C)C[C@@H]1C(C)C 1565507698 LSKWGLFCGWBMBM-SJORKVTESA-N 369.469 2.878 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565530350 MPOVOFOEWHOMPO-AEFFLSMTSA-N 365.433 2.547 0 50 FFAA CC(C)(CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2)N1CCOCC1 1565506237 AMXIFSHVLDKSHW-RTWAWAEBSA-N 357.542 2.694 0 50 FFAA CC(C)n1ncc2cc(CN[C@H]3CCCO[C@@H]3c3nccn3C)cnc21 275416099 DIKLJPYMFGTGIG-IRXDYDNUSA-N 354.458 2.756 0 50 FFAA Cn1ccnc1SCc1ccc(C(=O)NCCCNc2ccncc2)o1 170607481 JDHCMKRAQQCEFE-UHFFFAOYSA-N 371.466 2.932 0 50 FFAA O=S(=O)(NC1CCN(CC(F)(F)F)CC1)c1cccc2cnccc12 195239093 SKIJNLXBPCUCPT-UHFFFAOYSA-N 373.400 2.540 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccc(C)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1062874 VNCXBVWPMHNVBC-ROUUACIJSA-N 356.447 2.916 0 50 FFAA CC1CCN(C(=O)COc2ccccc2CN2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1 1800410484 UPVLVOXBRAVFMZ-ACDBMABISA-N 372.509 2.527 0 50 FFAA COc1cc2c(cc1CNc1nccc(N3CCC[C@H](O)C3)n1)CCC2 1704300201 QAQNLIGTKBOQDF-KRWDZBQOSA-N 354.454 2.547 0 50 FFAA COc1cc(-c2onc(NC[C@@H]3CCCN(C)C3)c2C(=O)O)ccc1F 1704325559 PQVAUDICOUEAQC-NSHDSACASA-N 363.389 2.941 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 789061 DDYHLKYPJPFCHI-UHFFFAOYSA-N 364.442 2.735 0 50 FFAA CNC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1 792647 VXWITXKPRZRGBS-UHFFFAOYSA-N 364.837 2.564 0 50 FFAA COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 1169731 BYYKPTNNPHLXTI-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA O=C(Cc1ccsc1)N1CCCN(Cc2cn3ccccc3n2)CC1 1772708152 CXUWEHQLEIQMBL-UHFFFAOYSA-N 354.479 2.673 0 50 FFAA Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1 11818766 WQRNYJFFXIWWLD-QGZVFWFLSA-N 352.417 2.560 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 11838981 HMSVGKORLOGFDN-INIZCTEOSA-N 364.873 2.513 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3cccnc3SC)CCO2)cc1 12055663 KRUBGZUMKRZDIH-INIZCTEOSA-N 358.463 2.896 0 50 FFAA CC(C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12304368 XWEHMIDAJHURHN-UHFFFAOYSA-N 358.530 2.530 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)cc1 12313947 DEVFZILUJNPUFD-SFHVURJKSA-N 357.381 2.696 0 50 FFAA CN(C(=O)CCc1cnn(C)c1)[C@H]1CCCN(CCCc2ccccc2)C1 12385139 KMOFSOKNXBXJCG-NRFANRHFSA-N 368.525 2.908 0 50 FFAA Cc1cccnc1CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12448257 WDVPWNGZMDREMV-QGZVFWFLSA-N 369.440 2.627 0 50 FFAA CNC(=O)c1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 13630744 XDWXNECKNOLNPL-SFHVURJKSA-N 354.406 2.856 0 50 FFAA CCCCN(C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1 14750582 BIPKZQZUWIWIAA-KRWDZBQOSA-N 369.513 2.817 0 50 FFAA Nc1c(C(=O)NCc2ccccc2)nnn1-c1cccc(Br)c1 16652318 LZOKHEQXRCWREA-UHFFFAOYSA-N 372.226 2.542 0 50 FFAA COc1ccc(NC(=O)c2nnn(-c3ccc(Cl)c(OC)c3)c2N)cc1 16661388 DDFIJDUXQZHDAV-UHFFFAOYSA-N 373.800 2.772 0 50 FFAA O=c1[nH]c(CN2CCOCC2)nc2c1C1(CCCC1)Cc1ccccc1-2 19535558 VURFOUBUXOZEIC-UHFFFAOYSA-N 351.450 2.637 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 4867651 YAUDPXCUHWKDSH-INIZCTEOSA-N 358.463 2.519 0 50 FFAA COc1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 5399275 YLEJJBHFJSRRIH-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CNc1ncccc1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857667645 RYQUNEOQCBXIJB-UHFFFAOYSA-N 361.449 2.765 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H](O)C1CCCCC1)CC2 1857698303 KRMIMLUYYIFJIN-OAQYLSRUSA-N 367.493 2.956 0 50 FFAA O=C(c1ccco1)N1CCC(n2ccnc2-c2cnn3cccnc23)CC1 1857705691 QZYWPNBHYQEGOH-UHFFFAOYSA-N 362.393 2.663 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)c1C 1857736016 LYFHGGYQPKVQBR-ZACQAIPSSA-N 373.497 2.755 0 50 FFAA CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CO)CC1 334160621 ITLCVOOZAVDUID-WQUXRXDGSA-N 374.525 2.673 0 50 FFAA O=C(Cn1cccn1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302960 FSBUKCGUUKHEHV-QFIPXVFZSA-N 373.460 2.847 0 50 FFAA C[C@@H](c1ccccc1F)S(=O)(=O)NC(=O)C[C@H]1OCc2ccccc21 873564332 QRCGTXHWLICXII-YVEFUNNKSA-N 363.410 2.994 0 50 FFAA O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[C@H]2CCC[C@H]21)c1ccccc1 1875293597 WIELYGSOPOLZFQ-MISYRCLQSA-N 363.461 2.824 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@@H]2C[C@@H](O)C(F)(F)F)c2c(C)n[nH]c2n1 1875313847 YVSXUQDSYOTEGQ-DGCLKSJQSA-N 370.375 2.883 0 50 FFAA Cn1ncc(NC(=O)N2CCC(C3(O)CC3)CC2)c1Cc1ccccc1 1875322987 QTBCDWWGADXUQQ-UHFFFAOYSA-N 354.454 2.780 0 50 FFAA C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)[C@@H]1[C@H]2CC[C@@]1(c1cccnc1)C2 1875392281 CIZBIJMNPSSKAU-WUGWMSQLSA-N 354.372 2.928 0 50 FFAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ncc1C(N)=O 2325782356 RUGJOIKJPXMTKQ-UHFFFAOYSA-N 373.840 2.826 0 50 FFAA CC12CCC(CS(=O)(=O)N[C@H]3CCCc4cnccc43)(CC1)OC2 2325803995 OAJSSHFMUDBODQ-AOCRQIFASA-N 350.484 2.728 0 50 FFAA CC(C)C(=O)NC[C@]1(C)CN(c2cc(Cl)nc(C(C)C)n2)CCO1 2325867191 NSOIOGXIVCVTMG-QGZVFWFLSA-N 354.882 2.621 0 50 FFAA O=C(O)C[C@@H](NC(=O)C(F)(F)c1ccncc1)c1ccc(F)cc1F 2325875964 HFKHGDKEYMKWEL-CYBMUJFWSA-N 356.275 2.784 0 50 FFAA COc1ccc(Nc2nc(N)nc(COc3ccccc3C=O)n2)cc1 1070757 IOIOEKLHMCCTND-UHFFFAOYSA-N 351.366 2.598 0 50 FFAA CC(=O)c1ccc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)nc1 2356144240 OPIVVWWZIZNCSX-HXUWFJFHSA-N 351.454 2.625 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc3ccccc3n2)C1=O 2356152765 ZWMYZLFHDOQSPQ-OAQYLSRUSA-N 353.466 2.838 0 50 FFAA O=C(CCCc1nc2ccccc2s1)NC[C@H](O)c1cccc(O)n1 2356159317 VOOZAGFOBRAEFE-AWEZNQCLSA-N 357.435 2.569 0 50 FFAA CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 59745532 JCADZQUKMPNKHJ-GHMZBOCLSA-N 371.532 2.761 0 50 FFAA C[C@@H](Cn1cccn1)NC(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 55099817 JAJSIFKFNHPVHC-NSHDSACASA-N 352.797 2.599 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@H]4CCC[C@H](C3)C(=O)N4)c2c1 102460578 FMPZLDFLRIVTGO-HZPDHXFCSA-N 351.450 2.901 0 50 FFAA c1cnn(-c2ccc(N3CCC(NCc4n[nH]c5c4CCC5)CC3)cc2)c1 23192782 SPXSCNZAKXMGQJ-UHFFFAOYSA-N 362.481 2.843 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67872739 AZDFBAOTZJRGSU-CYBMUJFWSA-N 367.384 2.731 0 50 FFAA COCc1cc([C@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OC 65492840 VXCIHBBMYNOKHE-OAHLLOKOSA-N 351.406 2.641 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cccc(-n2cccn2)c1 65382722 RFKZGMAZWBNXLE-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA CN1CCC2(CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 67872638 ZTEZYHQZLNEQAZ-UHFFFAOYSA-N 350.528 2.788 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN(C)Cc3nc(-c4ccccn4)no3)cc2c1 67434692 DJQFXDVBUJQZNJ-UHFFFAOYSA-N 361.405 2.914 0 50 FFAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(F)cc2Cl)n1 72117744 QJKVRVYONHJSBZ-UHFFFAOYSA-N 351.813 2.851 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72456810 OMAFZONTTJIYKM-MRXNPFEDSA-N 368.416 2.597 0 50 FFAA Cc1c(CCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c2cccc3c2n1CCC3 72424257 DHBUTBCSYSAEKH-KRWDZBQOSA-N 367.493 2.812 0 50 FFAA COc1cc(C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)ccc1OC(F)F 6394499 WZPBSOUQSPOJFH-CYBMUJFWSA-N 368.258 2.769 0 50 FFAA CC[C@H](Cn1ccnc1-c1c(OC)ccc(F)c1F)N1CCOCC1 72428041 UWPDOZKZKVBUPD-CYBMUJFWSA-N 351.397 2.948 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cccnn2)CCC(=O)N1Cc1ccc(F)cc1 71750666 IOKPRWKJGSMMFX-SFHVURJKSA-N 370.428 2.515 0 50 FFAA CN1Cc2cc(-c3csc(CCN4CCOC4=O)n3)ccc2NC1=O 366810306 NTTGZIYLKOSMMD-UHFFFAOYSA-N 358.423 2.782 0 50 FFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc[nH]c1C1CC1 367598940 SNEBDUODDYPALP-OAQYLSRUSA-N 353.466 2.601 0 50 FFAA CCn1c([C@H]2CCCN2C(=O)c2ccoc2CC(N)=O)nc2ccccc21 367554215 SHEWKDFVDLXJOW-MRXNPFEDSA-N 366.421 2.654 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 156467154 VXRCNJGKRGVSFT-CQSZACIVSA-N 361.829 2.960 0 50 FFAA O=C(CCN1CCO[C@H](C(F)(F)F)C1)NCc1cccc(Cl)c1 71754348 MNRCEKHBEHXSED-ZDUSSCGKSA-N 350.768 2.609 0 50 FFAA Cc1nc[nH]c1CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72171384 BMJYSXVFYAGMGW-MAODMQOUSA-N 366.465 2.509 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)CCCCc2nc3ccccc3s2)CCO1 238195425 WLYXLJOEUNYPJU-CYBMUJFWSA-N 362.451 2.711 0 50 FFAA Cc1csc([C@H](NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)C(F)(F)F)n1 333631010 HOHAFUSEHJMIQU-OOCWMUITSA-N 359.373 2.650 0 50 FFAA O=C(NC[C@@H]1CCCNC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 333882536 WMPXBLAUZPUYGU-WBMJQRKESA-N 355.841 2.562 0 50 FFAA Cc1ccc(N2CCC(NC(=O)[C@H]3COc4ccccc4C3)CC2)nc1 172871459 KBVLXZKFAYTHLR-QGZVFWFLSA-N 351.450 2.726 0 50 FFAA O=C(Nc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1)c1cccnc1 131042130 RHFLCQZASDHRJE-UXHICEINSA-N 373.412 2.722 0 50 FFAA C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1c(F)cccc1Cl 176155547 XLTNVMANJWSTHH-GFCCVEGCSA-N 363.824 2.862 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)n2)cc1 222242992 HJKFNKOXHROWOI-KBXIAJHMSA-N 356.403 2.711 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)Cn2c(C(C)C)nc3ccccc32)n[nH]1 426439037 UJLGOCNCDFOAHW-INIZCTEOSA-N 352.442 2.950 0 50 FFAA OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CCN1C1CCCC1 20537317 AASHXIOVVUXEFN-OAQYLSRUSA-N 354.498 2.684 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)C(C)(C)Oc1ccccc1OC)C1CC1 426505605 CFYHNNGRDHRLMM-INIZCTEOSA-N 358.442 2.732 0 50 FFAA Cn1nccc1CCC(=O)N1CCCN(c2nc3ccccc3s2)CC1 426501721 FZBLEFRBVJXAIA-UHFFFAOYSA-N 369.494 2.701 0 50 FFAA O=C(c1ccnc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1)N1C[C@H]2CCC[C@H]2C1 177020896 NNRNEYVOCUIYPF-USTZCAOPSA-N 353.466 2.826 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(CN2CCCC2)c1 95381998 OEQAICHETZXPKI-QFIPXVFZSA-N 363.505 2.955 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239308854 HAKQLDKCMJHDHN-TXFQPVFDSA-N 363.435 2.949 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cccc([C@@H]2CCCNC2)c1 95382969 WUSCYUITSXZCBS-QGZVFWFLSA-N 373.526 2.596 0 50 FFAA CCOC(=O)CN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95355465 XBCDFLZRVRPELV-RMKNXTFCSA-N 356.466 2.577 0 50 FFAA CN1CCC(C(=O)NC[C@@H](O)c2cccc(Oc3ccccc3)c2)CC1 97619682 RRGZYCZMDQFGPA-HXUWFJFHSA-N 354.450 2.970 0 50 FFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)NCCSc1cnn[nH]1 426369139 GZNLGYVBDPCBMK-GFCCVEGCSA-N 358.471 2.576 0 50 FFAA Cn1cnc2cc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)ccc21 97463483 QETABOAXZHBPHQ-HXUWFJFHSA-N 363.465 2.925 0 50 FFAA Cc1nc2ccc(-n3ncnc3[C@@H]3CSC(C)(C)C(=O)N3)cc2s1 91829777 RHMKZFUWOLABID-LBPRGKRZSA-N 359.480 2.868 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)[nH]c12 92061552 RAZZOTPOBXKDLM-IRXDYDNUSA-N 355.482 2.764 0 50 FFAA Cn1nccc1CCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91848816 NGHCRYIWDRHWIR-NRFANRHFSA-N 372.513 2.527 0 50 FFAA Cc1c(C(=O)N[C@H](C)c2c(F)cccc2Cl)nnn1C1CCNCC1 237371637 BFSOEDQTVANAQL-SNVBAGLBSA-N 365.840 2.795 0 50 FFAA COc1cccc([C@@H]2CCCCN2C(=O)CN2C(=O)OC(C)(C)C2=O)c1 95508358 FFCVOCYWRDPPDT-HNNXBMFYSA-N 360.410 2.506 0 50 FFAA CN(CCC[C@H]1CCCO1)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 95502612 JKOCSCIWSBIMGB-KRWDZBQOSA-N 360.458 2.981 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 96149914 LIWYDQIZZKJSGC-ZDUSSCGKSA-N 353.430 2.857 0 50 FFAA CCn1nc(C)c(-c2nc(C3(c4ccccc4)CC3)nn2CCO)c1C 96130627 JWVCNJWIHIFTMK-UHFFFAOYSA-N 351.454 2.851 0 50 FFAA Cc1ccc2nc(C(=O)N[C@H](CCn3cncn3)c3ccccc3)cn2c1 91651388 AMGPXSJNKISSHF-QGZVFWFLSA-N 360.421 2.796 0 50 FFAA CN(C)[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 179365735 ZJVUSVOTOKKCTM-SJORKVTESA-N 353.470 2.691 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1scc2c1OCCO2 244873018 WIQKFAGPMLCOAD-CWSCBRNRSA-N 351.449 2.823 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 244899936 ZTGMGWOJQQJMHE-MRXNPFEDSA-N 369.465 2.892 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2csc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)cn1 244900210 ZYCCZGHNGKQBAK-KHYOSLBOSA-N 374.462 2.525 0 50 FFAA Cc1cccnc1CCNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 297644710 VIFBNKGVZDPYFN-OAHLLOKOSA-N 368.485 2.968 0 50 FFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)[C@H]1CC[C@@H](O)CC1)CC2 248010405 DOWFQUQUYFFMOL-CEXWTWQISA-N 370.493 2.545 0 50 FFAA COC[C@H](O)CN1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 180209374 ZYYMMWSMXOCOFW-MOPGFXCFSA-N 352.906 2.852 0 50 FFAA COC(=O)c1cn(-c2ccc(N3CCCCCC3)cc2)cc2c(=O)[nH]nc1-2 253409792 MKUURYDHPUGHPE-UHFFFAOYSA-N 366.421 2.832 0 50 FFAA NC(=O)c1csc(N2CCN(Cc3cccc4ccccc34)CC2)n1 432312632 PCSCUJOVUFPNPV-UHFFFAOYSA-N 352.463 2.717 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)nn1C 534661937 JMWKDSFALQCFHF-SFHVURJKSA-N 350.422 2.596 0 50 FFAA Cc1ccsc1CN(CCN(C)C)C(=O)NCCC1(O)CCCC1 534589552 BTWRHBNOBZENKZ-UHFFFAOYSA-N 353.532 2.825 0 50 FFAA O=C(O)CN(Cc1ccccc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 299741799 GEKLDZHCQYWCME-INIZCTEOSA-N 370.430 2.603 0 50 FFAA CCOc1cccc(N2CCN(C(=O)c3cn(C(C)(C)C)nc3C)CC2)n1 184275855 HTPHKIFXPFDCBH-UHFFFAOYSA-N 371.485 2.703 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N1CC[C@H](O)[C@@H](O)C1 299772299 XRAUFGYPYSCMSO-OALUTQOASA-N 370.449 2.658 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 299761147 VJYHGCWPAFXOMT-LBPRGKRZSA-N 357.439 2.753 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(CN2CCCC2)o1 299781449 DNGLNCWBCPJTQP-UHFFFAOYSA-N 370.375 2.829 0 50 FFAA Cc1cc(C(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c2cc(F)ccc2n1 299756122 CDOVPZSUVBLCKA-QGZVFWFLSA-N 371.456 2.601 0 50 FFAA COc1nc(-c2cccc(C(=O)N3CCC[C@@H]3c3cc(C)on3)c2)nn1C 299770857 NNSYHWUPVJXUNM-MRXNPFEDSA-N 367.409 2.764 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1c(Cl)c(C(F)(F)F)nn1C 299756794 FVZOMHQKHDFOEE-UHFFFAOYSA-N 363.771 2.747 0 50 FFAA Cc1csc(CCNC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)n1 584897369 ZEGBFCVOJSBWOS-OAHLLOKOSA-N 364.515 2.571 0 50 FFAA CNC(=O)CCC(C)(C)NC(=O)N1CCN(c2ccccc2C)C[C@@H]1C 584896143 YMLCCZHXTFOWGY-INIZCTEOSA-N 360.502 2.520 0 50 FFAA C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCN[C@H]([C@H]3CCCO3)C2)n1 1343303714 XKINKXNGKJABIL-OQIJWPOYSA-N 368.481 2.978 0 50 FFAA C/C=C(\C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)c2ccccc12 996389467 NHCGFRGMDJZHNI-QTUFHDACSA-N 365.433 2.768 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccnc(C)n3)CC2)c1 184958314 QAVNJQNHCHEMFK-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)CCCN3CCCCC3=O)cc2)CC1 952966176 FFEMHCXFJPECOI-UHFFFAOYSA-N 373.497 2.891 0 50 FFAA CCCCc1ncc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)[nH]1 1565513750 DYCCFYBKBICFMW-JXFKEZNVSA-N 355.438 2.815 0 50 FFAA C[C@@H]1CCc2c(C(=O)N3CCC[C@H](N(C)CC(=O)O)CC3)csc2C1 186663314 BCLQKTOCJLRREF-KGLIPLIRSA-N 364.511 2.884 0 50 FFAA CCN(C)c1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 191219789 TYMXKQXJEXXTRB-UHFFFAOYSA-N 356.445 2.635 0 50 FFAA COC(=O)N[C@H](C(=O)Nc1cc(CCc2ccccc2C)n[nH]1)C(C)C 191306584 JUILAFODDUGUBE-KRWDZBQOSA-N 358.442 2.822 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2C[C@@H](C)OCC2(C)C)cc1 191653030 YDQZUSCJJMNWTP-GFCCVEGCSA-N 357.410 2.518 0 50 FFAA CN1CC[C@H](O)[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 206692359 NLJZXKUGBFALSU-QYZOEREBSA-N 358.869 2.858 0 50 FFAA COc1ccc(OC)c(NC(=O)CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1 210314908 IORMPZYANVODGT-DZKIICNBSA-N 370.449 2.751 0 50 FFAA COc1ccc(OC)c([C@@H](C)Nc2cncc(C(=O)N3CCCC3)n2)c1 1704278386 WPMRUBJDXCINSO-CYBMUJFWSA-N 356.426 2.903 0 50 FFAA O=C(CC[C@@H]1COc2ccccc2O1)NC[C@H]1COc2ccccc2O1 1060899 PNFVIPPDXIFZQI-CABCVRRESA-N 355.390 2.563 0 50 FFAA O=C(CNC(=O)c1ccc(Br)cc1)Nc1ccc(F)cc1 738172 NUWPKIVMHVPFRX-UHFFFAOYSA-N 351.175 2.957 0 50 FFAA Cc1cccc(-c2nc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)c(C)o2)c1 1772710024 UIIRYADBZDIBFE-UZLBHIALSA-N 356.422 2.882 0 50 FFAA COc1ccccc1NC(=O)CSC1=NC(=O)C[C@@H](c2ccccc2)N1 5433221 ZMXVWDFOZLNUEI-HNNXBMFYSA-N 369.446 2.984 0 50 FFAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1ccco1 12054722 DKNWHBILKPLUIJ-UHFFFAOYSA-N 370.434 2.523 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CC[C@@H](C2CCN(CC(C)C)CC2)C1 12305943 BLHDKLWYEMVHFI-GOSISDBHSA-N 369.513 2.868 0 50 FFAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1)C1CC1 12459059 JMWRKORJPBKLTI-UHFFFAOYSA-N 370.428 2.777 0 50 FFAA CCOC(=O)CN(C)C(=O)CCc1nnc(CCCCc2ccccc2)o1 12573961 PJDKIOATVRVHIR-UHFFFAOYSA-N 373.453 2.589 0 50 FFAA O=C(CCC(F)(F)F)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12718256 VOVRXWLVPFBTCS-AWEZNQCLSA-N 356.392 2.884 0 50 FFAA COC(=O)CCCC(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 15062940 GPZBIMOZOXFQJX-GOSISDBHSA-N 355.434 2.953 0 50 FFAA O=S(=O)(Cc1ccccc1)C[C@H](O)COCc1ccc(Cl)cc1 16513497 AYEOGRIHRBGMHB-QGZVFWFLSA-N 354.855 2.833 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1 169760105 WAZGRSRDWTWWPW-CQSZACIVSA-N 350.422 2.568 0 50 FFAA CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899716 BLUVXLDLVFLBOU-UHFFFAOYSA-N 360.479 2.719 0 50 FFAA C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1nccs1 4519821 ACJUPLXWXQIEIE-LLVKDONJSA-N 359.480 2.982 0 50 FFAA O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1 6703822 XWYMRWOKXQPBRH-UHFFFAOYSA-N 358.825 2.994 0 50 FFAA O=C(Cc1ccc(-n2ccnc2-c2cnn3cccnc23)cc1)N1CCCC1 1857691280 CSZBLMWHGRBNDT-UHFFFAOYSA-N 372.432 2.747 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)cc1Cl 1857722467 JHEWWMPAYSKWNT-MPGHIAIKSA-N 366.889 2.966 0 50 FFAA O=C(c1ccc(Cl)cc1)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857724965 HEMQTWNMMCNEKG-SOAMZJECSA-N 357.837 2.549 0 50 FFAA Cc1cc(C(F)(F)F)cc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1 1857734245 GJZNYQUUGTVKSM-KLZNWCGWSA-N 355.404 2.954 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2nc3ccccc3s2)C[C@H]1N 1857734632 XLQOBXUHSQAUFD-SQWLQELKSA-N 361.511 2.878 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1ccccc1F 328630571 JNPANLRWIDPCOK-STQMWFEESA-N 351.422 2.967 0 50 FFAA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@@H]2CO2)cc1 5357680 NBLIPZBCGXIEFO-FXAWDEMLSA-N 358.434 2.522 0 50 FFAA biogenic,in-vitro Cn1ncc(C2CCC2)c1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 829263031 IGRWKBYKJXWOTO-QGZVFWFLSA-N 367.371 2.868 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)C(=O)N[C@H](c1ccncc1)C1CC1 1875288759 BTKYKGWTINIPGQ-HNNXBMFYSA-N 367.434 2.601 0 50 FFAA O=C(N=c1ccn(-c2ncccc2Cl)[nH]1)c1cccc(OC(F)F)n1 1875318696 MAZHAVYLKHSDEU-UHFFFAOYSA-N 365.727 2.591 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3C[C@H](Nc4nc5ccc(F)cc5o4)[C@H]3C2)o1 1875332476 UGFUTGRQXWKMTN-JKOKRWQUSA-N 356.357 2.836 0 50 FFAA CO[C@]1(CN)C[C@H](C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1 1875321433 IFNNRRKNUNXERF-GSXCWMCISA-N 350.422 2.694 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc3sc(C)nc3cc2OC)C1 1875371044 MUFZSKDJXPTIMA-LBPRGKRZSA-N 359.451 2.976 0 50 FFAA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 1782171 OKXFFMHIJWGAJX-LJQANCHMSA-N 366.417 2.837 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccc(OC)c(Cl)c2)C1=O 2100483789 PERRXYPPLZXPMG-IBGZPJMESA-N 366.889 2.952 0 50 FFAA C[C@H](CCN=c1[nH]c2ccc(Br)cc2o1)NC(=O)CCF 2325867263 PQHZEABMWZRFIB-SECBINFHSA-N 358.211 2.679 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cccc(O)c3F)C2)CC1 2325888010 MAZMLBAMKOKZHT-HNNXBMFYSA-N 360.429 2.662 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)C1 2325889294 JAVAYDRBXFWWPX-ZDUSSCGKSA-N 356.422 2.794 0 50 FFAA Cc1cccc2c(CC(=O)N3CCC[C@H](CN4CCOCC4)C3)c[nH]c12 133417780 OAPPXDJUHYPDIM-QGZVFWFLSA-N 355.482 2.590 0 50 FFAA Cc1nc2ccnn2c(N2CCc3nc(Cc4ccccc4)nn3CC2)c1C 2356155520 GMEIXPROBCETIN-UHFFFAOYSA-N 373.464 2.591 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1 2858837 MJUCYGLIFVUGIX-UHFFFAOYSA-N 361.423 2.831 0 50 FFAA Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C)n1 4736156 IVHHKMJMEPHVLG-SNVBAGLBSA-N 360.468 2.761 0 50 FFAA CCc1c(O)nc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[nH]c1=O 10059410 PJQUSERPDJDJRU-MRVPVSSYSA-N 353.831 2.811 0 50 FFAA CCCn1c(=O)c2[nH]c([C@]34C[C@@H]5C[C@H]3C[C@@H](C5)C4)nc2n(CCC)c1=O 100377625 PJBFVWGQFLYWCB-OYEQCZOJSA-N 356.470 2.784 0 50 FFAA in-man C[C@H](NC(=O)CCN1CCCCCCC1)c1nc(-c2ccncc2)no1 55269726 JKJBMAOFLNKFCO-HNNXBMFYSA-N 357.458 2.965 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)CSc1nnc(C)s1 55242350 COUSYUONSXTZRC-UHFFFAOYSA-N 353.473 2.638 0 50 FFAA CCOc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)cc1 22932581 VEVXVDRRMKSWQQ-IBGZPJMESA-N 364.555 2.850 0 50 FFAA Cc1nn(CCN2CCOCC2)cc1CN[C@H](C)c1cc(F)cc(F)c1 65408622 XROBRGOMQPASOS-CQSZACIVSA-N 364.440 2.653 0 50 FFAA CCCN1CCC(N2CCC(Cn3cc(-c4cccnc4)nn3)CC2)CC1 63868716 LOQXCDVJQMALEO-UHFFFAOYSA-N 368.529 2.927 0 50 FFAA O=C(c1ccco1)N1CCC(N[C@@H]2CCN(Cc3ccccc3)C2)CC1 67946309 MVERFZUUWQPQEC-LJQANCHMSA-N 353.466 2.748 0 50 FFAA CCn1c(C2CCNCC2)nn(Cc2c(F)ccc(C)c2Cl)c1=O 65403306 OKPMAEQPPBJNBP-UHFFFAOYSA-N 352.841 2.681 0 50 FFAA O=C(CCCn1cncn1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65533049 VHLFBVJBOFDVNT-VQTJNVASSA-N 364.449 2.589 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71730593 UULYZFQYPMQZSD-LJQANCHMSA-N 358.530 2.626 0 50 FFAA c1ccc(CCCN2CCCN(Cc3cc4n(n3)CCCNC4)CC2)cc1 72158283 SOUFEEGXHRPHCD-UHFFFAOYSA-N 367.541 2.517 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c1C 38149258 DQHDJRTXPNVCDY-GOSISDBHSA-N 362.543 2.650 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC2(CCCO2)CC1 71760917 CICWDRSVZGNRCK-UHFFFAOYSA-N 351.830 2.825 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc(Br)c2)CC1 14007303 PPPSYWHMMPGYHY-UHFFFAOYSA-N 370.247 2.537 0 50 FFAA in-vitro COC(=O)c1cc(F)c(C)c(NC(=O)c2cnn(-c3ccccc3)n2)c1 157901373 VBMDERUVTKAGTM-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H]1CCCN1Cc1ccccn1 365700205 HOSDRUACJFSSKN-QGZVFWFLSA-N 355.486 2.725 0 50 FFAA c1cc(Cn2ccnc2-c2ccc3c(c2)OCCO3)cc(-c2nnn[nH]2)c1 77407371 RPLMJOPJMPEESC-UHFFFAOYSA-N 360.377 2.550 0 50 FFAA Cc1cccc(N2CCC(n3ccnc3-c3cc4n(n3)CCNC4)CC2)c1 72423531 KIEYLPILWYPDHU-UHFFFAOYSA-N 362.481 3.000 0 50 FFAA Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)c3cc[nH]n3)CC2=O)cc1 77407601 INHJZCMLMNIJPU-LJQANCHMSA-N 374.444 2.818 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3c[nH]nc3-c3nccs3)CC2)n1 333710265 MBLYQYCUFYBBQB-UHFFFAOYSA-N 359.415 2.636 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72429816 ZUUKQWVWEZAIIO-INIZCTEOSA-N 350.357 2.951 0 50 FFAA CCC1(CC)[C@H](NC(=O)c2ccoc2C2(O)CCOCC2)[C@@H](C)[C@H]1OC 373941713 AJQYYNSYIQGSPU-FVQBIDKESA-N 365.470 2.847 0 50 FFAA Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1 43207291 AUMDBEHGJRZSOO-UHFFFAOYSA-N 359.817 2.992 0 50 FFAA in-vitro Cc1ccc(N2CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2=O)cc1 82092999 MIVAABQHKSEXBK-UHFFFAOYSA-N 360.417 2.874 0 50 FFAA Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 174842161 MVPPUEUNAAZQMM-NSHDSACASA-N 374.466 2.837 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)C(=O)CN2CCOc3ccccc3C2)c1 223678806 QJMLUPJDBLTZOS-KRWDZBQOSA-N 353.466 2.674 0 50 FFAA COCC1(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)CC1 426414226 CVVWTMKNICBDKX-HXUWFJFHSA-N 374.456 2.593 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc(F)c(Cl)c1)CC2 426661966 GCYRKTPUUKMCJN-QANKJYHBSA-N 371.836 2.640 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)NCc1ccc2nonc2c1 426392662 BXMITJOEXGTWDX-INIZCTEOSA-N 368.441 2.882 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCCn3nc(CO)cc3C2)c1 220717262 JAOZNTBAMHUKFP-UHFFFAOYSA-N 351.454 2.788 0 50 FFAA COCC[C@H]1CN(C(=O)c2ccc(-c3cncc(OC)c3)cc2)CCO1 426519050 ZQKUQXHPHAWSJJ-SFHVURJKSA-N 356.422 2.635 0 50 FFAA COc1ccc([C@H](NC(=O)CSc2ccccc2)C2CC(O)C2)cn1 222785291 VHCWKSFXNQVGPS-ZOJXTTQQSA-N 358.463 2.811 0 50 FFAA C[C@@H](O)c1cccc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)c1 426519010 RFJYHTZPOWDTGJ-QGZVFWFLSA-N 368.477 2.859 0 50 FFAA C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)NCCc3c[nH]cn3)cc2)C1 97594913 FFFDYECBVFTTMR-CQSZACIVSA-N 355.442 2.646 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2cnc(Nc3ccccc3)nc2)CC1 91656272 LAWUPBIRJTZNSD-UHFFFAOYSA-N 369.425 2.571 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2ccsc2C(C)=O)cc1 426377992 MQKJDNUBZZAYSZ-UHFFFAOYSA-N 365.476 2.782 0 50 FFAA COCC(=O)N1CCCN(C(=O)Nc2cccc(-c3ccco3)c2)CC1 95522271 HNBHNZMGJKQPEW-UHFFFAOYSA-N 357.410 2.659 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1csc(-c3ccccc3)n1)C2 91746828 CVLUFDHQPVBYBY-MAUKXSAKSA-N 369.490 2.822 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cncs3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95497173 TVJCQADSKAPJLI-QXAKKESOSA-N 369.490 2.854 0 50 FFAA CCNc1ncc(C(=O)NCCc2ccccc2OC(F)(F)F)cn1 91907364 JCDDWLMEUYRCLL-UHFFFAOYSA-N 354.332 2.780 0 50 FFAA CSc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1 91757346 ZBRHGHDRDFAVIR-QZTJIDSGSA-N 362.539 2.504 0 50 FFAA O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@@H]1c1nccs1 95497325 BYHLEXJECORAKR-LLVKDONJSA-N 357.357 2.687 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(CCOc1ccccc1)C2 91416749 PXGMYLCYRAANIR-OAQYLSRUSA-N 358.482 2.559 0 50 FFAA CC(C)CN1CC2(CCN(c3cc(N4CCCC4)cnn3)CC2)CC1=O 91736683 WIEQUZHZTDCNQN-UHFFFAOYSA-N 357.502 2.552 0 50 FFAA O=C(CCN1CCC([C@H](O)c2cccs2)CC1)Nc1nccs1 244633242 FZLYDSORMYILSE-HNNXBMFYSA-N 351.497 2.979 0 50 FFAA COc1ccc([C@H](NC(=O)c2c(C)cccc2OC)[C@H]2C[C@@H](O)C2)cn1 244748798 OOOMTBJEEFXNGK-KHYOSLBOSA-N 356.422 2.649 0 50 FFAA Cc1cc(NC(=O)CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)on1 181299069 VKWYQYDUJCCBDP-OAHLLOKOSA-N 366.425 2.586 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)cs1 181675011 KPFRRVUVIZRANU-JTQLQIEISA-N 362.245 2.607 0 50 FFAA Cc1nc(CN(C)CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cs1 252509064 YBYBVJSZJZVKQB-UHFFFAOYSA-N 353.831 2.874 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(C)cc2OC)[C@H]2C[C@@H](O)C2)cn1 252551861 UIDKDBYZHPKGKE-ZRGWGRIASA-N 356.422 2.649 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@H](NCCc2cccs2)CNC3=O)cc1 263616523 JFHPADWBDZFZPU-SFHVURJKSA-N 368.462 2.695 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)nn1C 534644806 VSULASYHCDXHOG-IBGZPJMESA-N 364.449 2.986 0 50 FFAA c1nc(N2CCC(Cn3cc(-c4ccsc4)nn3)CC2)c2nc[nH]c2n1 67673555 YNTUOZKMVHMPBW-UHFFFAOYSA-N 366.454 2.590 0 50 FFAA CN1[C@@H](c2ccccc2)[C@@H](C(=O)NCc2ccc(O)cc2)C[C@@]1(C)C(=O)O 67983125 ADOOACZGKNJXBT-WFXMLNOXSA-N 368.433 2.545 0 50 FFAA Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 299756939 IVHOHNLQECIWSS-LBPRGKRZSA-N 356.451 2.570 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)n(C)n1 584884217 NFRISBBRPKQBAH-UHFFFAOYSA-N 354.454 2.823 0 50 FFAA CN1CC[C@@H]2CN(C(=O)Cc3ccccc3OCc3ccccc3)C[C@@H]21 1076107685 XBNBVLMJYZJZAU-UXHICEINSA-N 350.462 2.971 0 50 FFAA COCC(=O)Nc1ccc(OC)cc1NC(=O)c1ccc(OC)cc1F 952965110 FOSZPDNIJCEMBH-UHFFFAOYSA-N 362.357 2.680 0 50 FFAA Fc1cccc2c(N3CCN(Cc4cn5ccccc5n4)CC3)ncnc12 302677882 NOUXUKKHNXELBY-UHFFFAOYSA-N 362.412 2.739 0 50 FFAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1cc(Cl)ccc1Cl 275344044 SFZPXZCZBKUMOH-JTQLQIEISA-N 360.266 2.731 0 50 FFAA CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cc2)n1 170608481 NUPAHEGXSGPOLU-HUUCEWRRSA-N 369.425 2.602 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)NCCn1c(C)nnc1S 170641426 JYMAUCDDFHCGMF-AWEZNQCLSA-N 360.483 2.510 0 50 FFAA CCc1ccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1050929 MIMLSMAFVOWVRR-ROUUACIJSA-N 356.447 2.861 0 50 FFAA CSc1ncccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 216555177 OVGWXDDIABVIKC-CABCVRRESA-N 360.410 2.883 0 50 FFAA COCCn1cnnc1SCc1cc(OC)ccc1Br 225793948 RKTXIWYHDAJXPX-UHFFFAOYSA-N 358.261 2.988 0 50 FFAA Cc1ncc(CN(CCO)C(=O)C[C@H](c2ccccc2)c2ccco2)[nH]1 1704316091 VLVYWHHTQCFJFM-GOSISDBHSA-N 353.422 2.854 0 50 FFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(OC)c(C)cc3C)C[C@@H]21 1704333693 DRSZPDWJZSPIJS-JTDSTZFVSA-N 367.511 2.874 0 50 FFAA CCCc1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n[nH]1 1704341509 VJLBNLHTRCFQTF-QRWLVFNGSA-N 364.449 2.586 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cc(C)n1 1704304077 KMYHJEBGYKSRNQ-OAQYLSRUSA-N 365.481 2.675 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cnc4ccccc4n3)C1)CC2 1704299828 TXLNKJMFJDSLCJ-OAQYLSRUSA-N 360.465 2.970 0 50 FFAA Cc1c(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)cnn1C 1772709895 RSTACNSZBOHXEB-UHFFFAOYSA-N 352.438 2.823 0 50 FFAA Cc1ccn(CC(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1 11754183 BIQAOTANCFAGOP-UHFFFAOYSA-N 358.348 2.710 0 50 FFAA Cc1ccccc1CN1CCC2(CC[C@H](CNC(=O)[C@@H]3CCOC3)O2)CC1 12149000 ILEFZXXTNNKXEL-WOJBJXKFSA-N 372.509 2.661 0 50 FFAA CC(C)NC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12386455 SQHBGTMLYBDMEJ-IBGZPJMESA-N 365.424 2.897 0 50 FFAA Cc1ocnc1C(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12455339 QJHZLEJFELHTEU-HXUWFJFHSA-N 371.412 2.777 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 13153919 UYCQSPPQIKEXDZ-GASCZTMLSA-N 366.889 2.819 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCCCCC1 15067594 MESUDDDTXQRCRZ-LJQANCHMSA-N 352.425 2.694 0 50 FFAA O=C(N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1ccccc1 19800053 FDSUBHNXZLKPLY-AAEUAGOBSA-N 351.661 2.881 0 50 FFAA Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccnc1 6741785 OJEDOWWKUYFVLH-UHFFFAOYSA-N 373.869 2.939 0 50 FFAA Cc1cc(CO)oc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857531925 AKPCMPGYIUAOHJ-ORAYPTAESA-N 357.410 2.535 0 50 FFAA COc1ccc(O)cc1-c1nccn1-c1c(N2CCCC2)nn(C)c1C 1857686121 IXWMAIHQALFRHA-UHFFFAOYSA-N 353.426 2.896 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)no1 1857709078 DACWKWHPRWNUDV-SJLPKXTDSA-N 356.422 2.870 0 50 FFAA CSCC(=O)NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3 1857732152 FCEPINRGRWLZAN-RSEJSRIYSA-N 372.534 2.658 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1noc2ccc(F)cc12 1875245996 WNQYIXAAMYBIFN-UHFFFAOYSA-N 354.345 2.593 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 222354935 MRTJXHCJGIBMGM-CJNGLKHVSA-N 371.462 2.608 0 50 FFAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n(C)n1 331497741 DNIOGPGJGXUCJX-RISCZKNCSA-N 353.344 2.695 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@H]2CCC[C@@H]2N)CCOCC1 237267854 IUEBFMSBFBQVAD-HOCLYGCPSA-N 366.889 2.640 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)NC(C)(C)CCC(=O)O)cc2)C[C@H](C)O1 237675917 WYIGWZOGMRCHRH-GJZGRUSLSA-N 362.470 2.669 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)c3cnn(-c4ccccc4C)c3)C2)n1 264720395 AZKGGJPCFVDUKI-HNNXBMFYSA-N 351.410 2.892 0 50 FFAA Cn1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2-c2cccc(F)c2)nc1O 952892997 QPKHYRXEBYEELF-OAHLLOKOSA-N 369.400 2.674 0 50 FFAA O=S(=O)(Oc1cncc(Cc2ccncc2)c1)[C@@H]1CC[C@H]2CC[C@H]1OC2 1875297820 DZNHKXLOFUEJBT-ATZDWAIDSA-N 374.462 2.734 0 50 FFAA NCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1F 1875356193 IRIVMNWBYFUHJE-UHFFFAOYSA-N 351.381 2.920 0 50 FFAA Cc1nc(C(=O)N2CCC([C@H](CN)c3ccccc3)CC2)c2ccnc-2[nH]1 1875301329 FSIITEURZDNCOT-GOSISDBHSA-N 363.465 2.813 0 50 FFAA COc1cc(C(=O)NC[C@@H]2CCO[C@@H]2c2nc(C)no2)ccc1Cl 886086024 PHBSZEKQNNCKRI-FZMZJTMJSA-N 351.790 2.548 0 50 FFAA CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@H]1CCN(Cc2ccccc2)C1 72868495 PNJACHRUFWHMLT-MRXNPFEDSA-N 368.506 2.939 0 50 FFAA CN(C(=O)c1c[nH]nc1[C@@H]1CCCNC1)c1nnc(-c2ccccc2)s1 2325753303 YMEBXFYPZVYPMY-CYBMUJFWSA-N 368.466 2.672 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)NCCCN2CCCO[C@@H](C)C2)C3)cc1 2325776124 PGPLTDSPTWAYJT-RCZSKKKRSA-N 371.525 2.779 0 50 FFAA CN(C)c1ccc(-c2noc(CCc3ccc4c(n3)NCCC4)n2)cn1 2325787106 BKTSOBHXHRZDAM-UHFFFAOYSA-N 350.426 2.736 0 50 FFAA Cn1c(CCCNC(=O)C(F)(F)C[C@H]2CCCO2)nc2ccccc21 2325792587 VOWPEKPEUFXOGD-CYBMUJFWSA-N 351.397 2.827 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cnn3c2CCC[C@H]3C)C1 2325792810 NWSYGLHCVVJILP-DOMZBBRYSA-N 358.442 2.817 0 50 FFAA CO[C@@H]1CN(C(=O)c2cnc(C3CCN(C)CC3)[nH]2)CCc2ccccc21 2325797024 SYZSDEAZDCROMV-LJQANCHMSA-N 368.481 2.605 0 50 FFAA C[C@@H](Cc1cnn(C)c1)NCc1cnc2sc(Br)cn12 2325801616 PTHYRNRUAPHIRJ-VIFPVBQESA-N 354.277 2.613 0 50 FFAA COCCOc1cnc(-c2noc(-c3ccc4c(c3)CCC[C@@H]4N)n2)cn1 2325821914 MBJQSQDXAXXVCC-HNNXBMFYSA-N 367.409 2.555 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1O 2356139482 YORVOYKQVCHUJL-QFBILLFUSA-N 361.417 2.654 0 50 FFAA O=C(COc1ccc2c(c1)OCO2)N1CCN(c2cccc(Cl)c2)CC1 8990952 MKBUJAPAFHAUPC-UHFFFAOYSA-N 374.824 2.796 0 50 FFAA Cc1ccccc1CN(CCN(C)C)C(=O)CCc1c(C)nn(C)c1C 55212042 SYLBXGRAVHFIMS-UHFFFAOYSA-N 356.514 2.868 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)[C@@](C)(OC)c2ccccc2)C[C@H]1c1ccccc1 225598891 LOGKVDZOJCUHSZ-JQVVWYNYSA-N 367.445 2.963 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)N(Cc2cnn(C)c2)CC(C)C)n1 55393158 CCBFUJNATLIOGG-OAHLLOKOSA-N 361.515 2.992 0 50 FFAA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1c[nH]cn1 55073138 XYBISWLLDSDRKP-IBGZPJMESA-N 359.437 2.915 0 50 FFAA COc1ccc(Oc2ccc(C(=O)NC[C@@H](O)c3nccn3C)cc2)cc1 55284816 FUWHZPNQGRKCNE-GOSISDBHSA-N 367.405 2.684 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)on1 465111052 KOJZORIZCGQESE-INIZCTEOSA-N 355.438 2.762 0 50 FFAA C[C@@H]1CCCN1c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67723429 FMVUMFFKTGDHOQ-MRXNPFEDSA-N 370.497 2.545 0 50 FFAA COC(=O)c1n[nH]c2c1[C@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 65432914 OMSIVXIDLGTSDR-NSHDSACASA-N 359.769 2.752 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3cnc(N4CCCC4)s3)C2)C1 23340423 RMDOIZOCPLIULA-IBGZPJMESA-N 364.559 2.678 0 50 FFAA CCCCC(=O)N[C@](Nc1nccs1)(C(=O)OCC)C(F)(F)F 2307333 XHXMYOURADNFBN-LBPRGKRZSA-N 353.366 2.683 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)c2c(C)nc3ncccn23)CC1 72428418 SAUCSKNKZZVYNR-UHFFFAOYSA-N 362.433 2.801 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)cc1C 72472980 JSIZHZAUHMUKPS-IBGZPJMESA-N 370.493 2.981 0 50 FFAA CCc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1 35476247 RXKKQIPEDXVEHO-HNNXBMFYSA-N 373.420 2.655 0 50 FFAA Cc1c([C@H]2[C@H](CNCc3ncc(C(C)C)s3)CC(=O)N2C)cnn1C 328620588 HBMKGNTVXQGZBS-SCLBCKFNSA-N 361.515 2.618 0 50 FFAA CC(C)N1CCC(N2CCC[C@@H](C(=O)NCCc3cccs3)C2)CC1 11998620 QNTRBBROEOHCOX-QGZVFWFLSA-N 363.571 2.992 0 50 FFAA O=C(N[C@H]1CC(=O)N(CCCc2ccccc2)C1)c1cccc2nccnc12 72133706 GVAAKMJYQPNFCE-KRWDZBQOSA-N 374.444 2.593 0 50 FFAA CC[C@]1(O)CCN(Cc2cnn(-c3ccc(Br)cc3)c2)C1 428441335 VQSREHMCFFDBLL-INIZCTEOSA-N 350.260 2.982 0 50 FFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1cccnc1 72132115 RZDDEAJVXWSGMH-HOTGVXAUSA-N 360.421 2.697 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](Cc3ccncc3)C2)nnn1CC1CCCC1 366155608 DPULLZZPRHUCTE-SFHVURJKSA-N 353.470 2.877 0 50 FFAA COc1cccc(NC2CCN(S(=O)(=O)c3ccc(C)o3)CC2)c1 330651992 KYWYNOIEIZXGQI-UHFFFAOYSA-N 350.440 2.862 0 50 FFAA O=C(CCNc1nccc(-c2cc(C(=O)O)ccn2)n1)Nc1ccccc1 77538469 SYWYSEGOJSQSFZ-UHFFFAOYSA-N 363.377 2.678 0 50 FFAA COC[C@@H](C)OC[C@@H](O)CN1CCC(c2cccc3cnccc23)CC1 373895615 AMYDJAQHYFMWJV-APWZRJJASA-N 358.482 2.827 0 50 FFAA Cc1nc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)co1 72426631 YAXCHERFHIPJFL-UHFFFAOYSA-N 356.382 2.515 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CO)C3CCSCC3)cc2)n1 77374955 HVCWXGAJQAPYOJ-GOSISDBHSA-N 359.495 2.723 0 50 FFAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N3CCCN23)cc1 138545306 GFFYEDNZBYQDOK-IPMKNSEASA-N 365.408 2.670 0 50 FFAA COc1cccc2c1OCCCN(C(=O)[C@@H]1CC(=O)Nc3ccccc31)C2 426661266 OAHUBWSTNVRRRW-MRXNPFEDSA-N 366.417 2.932 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCc2c(C)nn(C)c2C)C1 175031243 AHUSWHIUUHVECS-KRWDZBQOSA-N 373.476 2.953 0 50 FFAA Cc1cccc(OC2CN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 82087326 CHUPQIKRTATRCF-UHFFFAOYSA-N 352.434 2.735 0 50 FFAA Nc1nc([C@H]2CCOC2)cc(N2CCC(c3nc4ccccc4o3)CC2)n1 426479142 UVFWAMLUJULRSV-AWEZNQCLSA-N 365.437 3.088 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)NCc1ccc2c(c1)OCCCO2 426530742 DNKQJSWQPDEBQJ-UHFFFAOYSA-N 374.412 2.645 0 50 FFAA CCCCNC(=O)Nc1ccc([C@H](C(=O)O)N2CCSCC2)cc1 95375440 PORIBIAJOIOCNI-OAHLLOKOSA-N 351.472 2.783 0 50 FFAA COc1ccc(CCN2C[C@H](c3nc(CSC)no3)CCC2=O)cc1 91444482 CAYBSOZZAPJEHK-CQSZACIVSA-N 361.467 2.890 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)CCc3cccnc3)CC2)CC1=O 91526340 CQNROJCPDXAGPP-UHFFFAOYSA-N 355.482 2.822 0 50 FFAA O=C(c1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91846358 BBSDEYLTQTWHEL-XJKSGUPXSA-N 371.387 2.623 0 50 FFAA Cc1ccccc1[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)O 91493085 SAEOHBQHSMINJS-RBUKOAKNSA-N 373.474 2.699 0 50 FFAA COC[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1ccnn1C 97822967 JWKFCXGVTZFALR-GFCCVEGCSA-N 358.320 2.828 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1csc(CSC)n1)CO2 91706335 MGGNKAOTNLVJSO-GFCCVEGCSA-N 364.492 2.882 0 50 FFAA O=C(CCOc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91780103 KVKAWGCCUZVGMM-VQTJNVASSA-N 365.477 2.974 0 50 FFAA Cc1cnc(CN2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)[nH]1 91665433 GWHGFSAOHGJYPU-UHFFFAOYSA-N 367.497 2.560 0 50 FFAA Cc1nc2sccn2c1C(=O)NC1CCN(C2CCSCC2)CC1 97436784 OIOKYOHMNCGQMN-UHFFFAOYSA-N 364.540 2.794 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2ccc3nc(C)oc3c2)CC1 92022527 AEFAGRAHMBPFFN-UHFFFAOYSA-N 368.437 2.999 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)C1 239159646 MOAACRFRNIIRHU-GMTAPVOTSA-N 362.451 2.577 0 50 FFAA O=C(NCc1ccccc1F)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91848689 XZCAUJXYSKCLTI-UHFFFAOYSA-N 359.445 2.902 0 50 FFAA C[C@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1ccc(S(C)(=O)=O)cc1 97654138 DOXCFAZESVWBLM-ZDUSSCGKSA-N 369.446 2.971 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O 91626004 NJIYRWFPIATXNW-LBPRGKRZSA-N 350.846 2.577 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1 91302732 FSQZWFRWAZIXCK-UHFFFAOYSA-N 374.203 2.795 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc32)c1C 244858641 VPGWMHOOISKDDD-INIZCTEOSA-N 353.422 2.540 0 50 FFAA Cc1nccn1CC1CCN(CCC(=O)Nc2nnc(C3CC3)s2)CC1 244601743 DRFWDLICDLFBIX-UHFFFAOYSA-N 374.514 2.661 0 50 FFAA CCOc1ccc(N[C@@H](C)c2c(C)nn(CCS(C)(=O)=O)c2C)cn1 183199494 BTKNDLAIHYWPJM-LBPRGKRZSA-N 366.487 2.511 0 50 FFAA O=C(NCc1ccccc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263618796 VPMCXWZEEBJHNQ-UHFFFAOYSA-N 374.444 2.560 0 50 FFAA Cc1nc(-c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)n[nH]1 364487553 XJRXZWXNDXNLNY-UHFFFAOYSA-N 374.404 2.519 0 50 FFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)NCCN1CCCOC1=O 299780904 AHCCIYSMQPULRJ-OAHLLOKOSA-N 355.438 2.855 0 50 FFAA CCNC(=O)c1ccc(NC(=O)N2CCC3(CCN(C)CC3)C2)c(C)c1 299791286 DQFIRPPCYOJKDC-UHFFFAOYSA-N 358.486 2.694 0 50 FFAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1COC2(CCCCC2)C1 299760123 HHJVSRCBSWJFJD-CQSZACIVSA-N 356.430 2.584 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)N(C)C[C@H]1CCCCO1 299785762 LZPLCYJGUZUCBU-MRXNPFEDSA-N 358.442 2.973 0 50 FFAA O=C(NC[C@H]1CCCN(C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 584889442 GMELXMGMHMVJGU-MRXNPFEDSA-N 359.518 2.953 0 50 FFAA O=C(CCCN1CCOCC1)NC[C@@H](c1ccccc1)N1CCCCCC1 670452496 GNOWSVCDGMSQIA-NRFANRHFSA-N 373.541 2.832 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)N(C)CCn1ccc2ccccc21 952973450 CSPBMYCBHPNYAT-IBGZPJMESA-N 352.434 2.848 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@H]2NCc2cccc4cc[nH]c24)C3)cc1 952868563 AHZVEYDGYMWPJJ-SDPJGKNGSA-N 372.516 2.825 0 50 FFAA COc1cccc2c1CCC[C@H](NC(=O)NC[C@H](O)c1ccccc1)C2 1479562864 NTUHKRSQMJODEH-HKUYNNGSSA-N 354.450 2.975 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)s1 1565513090 SFIGCOYOJYBSOT-HOTGVXAUSA-N 367.492 2.709 0 50 FFAA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nc(C2CC2)ns1 301599872 UQZHZYJDUKBHBK-NSHDSACASA-N 371.466 2.616 0 50 FFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)c1 188232983 LZVKNOZVVDIFKU-UHFFFAOYSA-N 360.443 2.575 0 50 FFAA CN(CC1CCOCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189800887 XLXLHOKGRVIXTD-SFHVURJKSA-N 352.425 2.814 0 50 FFAA CN(C(=O)CCN1CCCS1(=O)=O)c1ccccc1Oc1ccccc1 195339943 PPWJAMPSCZSXCT-UHFFFAOYSA-N 374.462 2.867 0 50 FFAA CCCC[C@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H](C2CC2)O1 1616079478 HQSWJUOXVRFAKB-WMZOPIPTSA-N 365.495 2.900 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[C@@H](N)CC2)cc1Cl 1506424232 ZOBCDTCWNVOTIV-DTORHVGOSA-N 353.271 2.550 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCN(CC(F)(F)F)CC1)(C3)C2 1506413827 LQXKOXSAGOVSLT-BZZMCLGOSA-N 374.447 2.804 0 50 FFAA Cc1ccsc1CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C1CC1 1529181873 QWMYKPUIVQNHKF-MOPGFXCFSA-N 370.474 2.804 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccc(Cl)c3)C1)CC2 1704298220 HHCDNSKMUVPDOO-LJQANCHMSA-N 356.857 2.761 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1 11662228 WJROPYLYJCGDAO-FQEVSTJZSA-N 354.498 2.713 0 50 FFAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCC(O)CC1 11814663 GYUSORWWGPDQLA-UHFFFAOYSA-N 354.765 2.643 0 50 FFAA CN1N=C(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CCC1=O 12385306 GYPAENJLHOPSAC-CQSZACIVSA-N 363.408 2.744 0 50 FFAA O=C(c1cccnc1)N1CCN(Cc2cccc(Br)c2)CC1 19773566 BMBJRLGGSKOAPR-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA CN(C)c1ncc(CN2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)cn1 19774309 NFBJKHYCGWYMDI-UHFFFAOYSA-N 352.417 2.630 0 50 FFAA O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 6698654 FVDRXCIMJYZYCE-CQSZACIVSA-N 372.252 2.849 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]12 1857732035 ZBQHHANUWJUCBD-MNXVOIDGSA-N 355.360 2.933 0 50 FFAA COCCn1cc(NC(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)cn1 331760024 DLOOWZATOMKZNF-QGZVFWFLSA-N 363.506 2.505 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2C[C@H](N)CCO2)CC1 333224260 AQAADDNNEZPWDZ-PBHICJAKSA-N 352.862 2.707 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CC1CCCCC1 247892316 YTWYMXRVEUKNFI-SJORKVTESA-N 356.470 2.510 0 50 FFAA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253589912 AKYKYHKJUHUACD-LDXTZLFUSA-N 350.499 2.681 0 50 FFAA CCc1ccc(CN2C[C@@H]3CN(Cc4ccsc4)C[C@]3(C(=O)O)C2)nc1 253608466 GYANNZIOGBEONV-PXNSSMCTSA-N 371.506 2.724 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(C(C)C)n(C)n2)C(=O)O)cc1Cl 263079402 PPPJFSGZVIBTLN-HNNXBMFYSA-N 365.817 2.761 0 50 FFAA O=C(N[C@H]1CCc2c(O)cccc21)[C@@H]1CCN(c2ccc(F)cc2)C1=O 264930368 NPAJAOIBKQYLKD-IRXDYDNUSA-N 354.381 2.688 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)O)cc1 1875292099 WMQPDCVQBHUFMV-AAEUAGOBSA-N 360.439 2.656 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc(C(C)C)n(-c5ccncc5)n4)[C@H]1[C@H]3C2 1875256635 LOLTWIFAAXHVKF-XIPNHXGNSA-N 366.465 2.886 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1cc2c(s1)CCOC2)C1CCCCC1 1875371162 RCKSOININUZRKB-OAHLLOKOSA-N 362.495 2.802 0 50 FFAA CC(C)[C@@H](O)C1(CNC(=O)Nc2ccc(N=S(C)(C)=O)cc2)CC1 888239718 SCSLZEIAQZEUCN-OAHLLOKOSA-N 353.488 2.964 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)c2ccccc12 4908566 XXTLRZDGQVEYRB-UHFFFAOYSA-N 359.451 2.804 0 50 FFAA O=C1CC(c2ccc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cc2)C1 2325780780 OREVQKAROMNALO-LJQANCHMSA-N 365.385 2.966 0 50 FFAA Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 2325842576 AXEWTOXZXSHIIT-UHFFFAOYSA-N 364.453 2.999 0 50 FFAA COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1[C@H](C(=O)OC)CC2 622565 QMSVQYZNCHDRAP-GFCCVEGCSA-N 373.430 2.919 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2cnc(-c3cccc(C)c3)nc2)C[C@@H]1O 2356142840 KDROHEYTSTUNHL-RXVVDRJESA-N 369.465 2.890 0 50 FFAA COCCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 2880322 GWTJWWWNINHFBR-XMHGGMMESA-N 368.433 2.537 0 50 FFAA COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2)c1 4868351 WKIMEPNLJWJEKT-UHFFFAOYSA-N 373.434 2.874 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OC 10008769 ZRDCZQIIGWAHQH-UHFFFAOYSA-N 354.815 2.509 0 50 FFAA COc1ccc(C(=O)CSc2nc(O)cc(=O)n2-c2ccccc2)cc1 9193510 ZHKBWVOIEGAFHZ-UHFFFAOYSA-N 368.414 2.922 0 50 FFAA CC(=O)c1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)nc1 65456352 SIBBNVYAAHLCGX-UHFFFAOYSA-N 361.449 2.792 0 50 FFAA C[C@H](O)CNc1nc2ccccc2n1CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248377608 HFLKBANDAROBHA-QUSNUVHPSA-N 370.497 2.770 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCCN4CCC[C@H]4C3)n2)c1 67868655 AQIWBJXYSHSUGV-KRWDZBQOSA-N 354.454 2.674 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cc(-c2cccn2C)n[nH]1 67805969 QLYSQUWHDCZMBQ-UHFFFAOYSA-N 362.393 2.737 0 50 FFAA CCc1ccc(N([C@@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 65362481 GGDMNAAHKVIFMC-HNNXBMFYSA-N 352.500 2.662 0 50 FFAA CN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1nc2c(s1)CCCC2 65387887 QJSHFGOZBRCWEM-LLVKDONJSA-N 369.446 2.851 0 50 FFAA Cc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 21726238 MHGLYVMJIOUONC-OAHLLOKOSA-N 373.420 2.709 0 50 FFAA OCCOc1cccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)c1 23231938 OQPUSRHOUHBJSQ-IBGZPJMESA-N 358.457 2.951 0 50 FFAA COC(=O)c1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cc1 22851156 RQCLKZXUMUEKHI-OAQYLSRUSA-N 374.525 2.922 0 50 FFAA Cc1ncc(C)c(N2CCN(Cc3ccc(OC(C)C)c(CO)c3)CC2)n1 65405338 ZPHDHRULCQVRPA-UHFFFAOYSA-N 370.497 2.695 0 50 FFAA Cc1cc(=O)[nH]c(-c2ccc(CN(CCO)Cc3cccs3)cc2)n1 20149461 RWTPOCZNZYKFCT-UHFFFAOYSA-N 355.463 2.801 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)cc1C 67757582 OXUKEUFTALLMPT-QHCPKHFHSA-N 366.505 2.989 0 50 FFAA CCOCc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)ccc1OC 39380756 VVCKBPSRNDEGHD-LJQANCHMSA-N 350.503 2.509 0 50 FFAA CN(c1ccc2ccc(F)cc2n1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 328595559 YFEKUNOIOPQAMR-HOTGVXAUSA-N 361.417 2.790 0 50 FFAA CC(C)[C@@H]1CN(C2CCN(C)CC2)CCC(=O)N1Cc1ccc(F)cc1 71551923 LUPXPTSBZAODKV-FQEVSTJZSA-N 361.505 2.979 0 50 FFAA Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1=O 77455189 LJUVFMPNTHPSMZ-MRXNPFEDSA-N 368.474 2.690 0 50 FFAA CN(C[C@@H](O)CCc1ccccc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328625454 DEAQGEHLPCDTEL-ILWGZMRPSA-N 370.541 2.729 0 50 FFAA Cc1ccc([C@H](NS(=O)(=O)c2cncc(F)c2)c2ccccn2)cc1 480630420 JTXUVABWCDSGEW-SFHVURJKSA-N 357.410 2.992 0 50 FFAA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccccc2NC(=O)N2CCCC2)cn1 363019344 YPZCVDHXVQPWPA-LSDHHAIUSA-N 353.426 2.790 0 50 FFAA Cc1occc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72167229 CDQLDWDLAMCGOQ-XUVXKRRUSA-N 352.434 2.996 0 50 FFAA CN1CCN(c2nccc(C3(c4ccccc4Cl)CCNCC3)n2)CC1 72447960 UBMLJHDEMACCHR-UHFFFAOYSA-N 371.916 2.551 0 50 FFAA O=C(Nc1cccnc1-n1cncn1)N1CC(Cc2ccc(F)c(F)c2)C1 438599075 QRLHOUUDBKKAPH-UHFFFAOYSA-N 370.363 2.647 0 50 FFAA COc1ccc(NC(=O)N(C)C2CCN(c3cnccn3)CC2)cc1OC 378188500 DGSOFCAPCNENDX-UHFFFAOYSA-N 371.441 2.627 0 50 FFAA Cc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1NC(=O)c1ccccc1F 237540197 KRPFPLQHSWMAQQ-AWEZNQCLSA-N 355.413 2.820 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccnn3CCC)CC2)OC1=O 77504398 DTOPHIXKVFGVSF-OAHLLOKOSA-N 362.474 2.909 0 50 FFAA C[C@@H](CNC(=O)c1ccc2nccnc2c1)c1ccc(S(C)(=O)=O)cc1 1438573886 MQQBMKUWZNJPGE-ZDUSSCGKSA-N 369.446 2.567 0 50 FFAA CC(C)CN1C[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 45889493 VOTXXRXMGSBNTQ-SFHVURJKSA-N 358.482 2.699 0 50 FFAA COCc1nc([C@H]2CCOC2)cc(N2CCN(Cc3cccs3)CC2)n1 426419767 MRQLIAWXISBIEW-HNNXBMFYSA-N 374.510 2.511 0 50 FFAA COC[C@@H](NC(=O)N1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 175661354 IFYKYYUYIRPNGN-CQSZACIVSA-N 364.471 2.572 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cnc(-c2ccccc2)c1 19147467 FSFQKJXPLRGMKV-UHFFFAOYSA-N 358.405 2.984 0 50 FFAA NC(=O)c1cc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1F 426359627 MZJASSOOFQRCMR-CQSZACIVSA-N 359.405 2.598 0 50 FFAA CC[C@@H](C(=O)N[C@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2 20607678 QFPZIGBTPFNKJJ-MFKMUULPSA-N 369.391 2.953 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1cccc(-c2cncc(OC)c2)c1 426550668 RMCNPHIUEDTQPS-ZDUSSCGKSA-N 351.410 2.860 0 50 FFAA CCc1cc(N2CCC(NCc3ccon3)CC2)nc(N2CCCCC2)n1 95506147 QLMMTBAJIZAJIV-UHFFFAOYSA-N 370.501 2.776 0 50 FFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccccc1N1CCCC1)CC2 91847339 AMOFGPBMQFLIHO-MOPGFXCFSA-N 358.482 2.679 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 91536925 WQVPHEGOBGEGQZ-UHFFFAOYSA-N 369.513 2.531 0 50 FFAA COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2=O 91817873 LTWBPYZJRYRCPS-ZWKOTPCHSA-N 356.466 2.653 0 50 FFAA CCCCSc1nc(N)cc(N2CCC[C@H](C(=O)c3nccn3C)C2)n1 95378064 AAJIQJWNOYLEEO-ZDUSSCGKSA-N 374.514 2.784 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCN(c3cccc(F)c3)C[C@@H]2C)cs1 292224823 AVZDSNODMVJPCQ-NSHDSACASA-N 362.430 2.592 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)cc(=O)[nH]1 91935246 QRDJYZYAUZHFOQ-GOSISDBHSA-N 351.450 2.589 0 50 FFAA COCC[C@@]1(CO)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 91663409 DWAJWCMGSDVOJS-KRWDZBQOSA-N 359.388 2.886 0 50 FFAA O=C(c1ccco1)N1CCC(N[C@H](c2nnc[nH]2)C2CCCCC2)CC1 292904991 DTNUZTKFIZIMMP-KRWDZBQOSA-N 357.458 2.914 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3cc4c(cc3Cl)OCO4)C2)N1CC1CC1 95386916 LBOONAIQCCQSRR-DZGCQCFKSA-N 362.857 2.902 0 50 FFAA Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cnc(C2CC2)[nH]c1=O 97635060 OZVVEJPOSFEFSJ-KRWDZBQOSA-N 367.449 2.777 0 50 FFAA Cc1coc(-c2ccc(C)c(NC(=O)c3cn(C4CCNCC4)nn3)c2)n1 237937038 UBWXXOCLYFZKSS-UHFFFAOYSA-N 366.425 2.727 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1scc2c1OCCO2 244641199 GLDAEGJQLHGNIA-KKUMJFAQSA-N 359.447 2.631 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@H]2CCOc3ccccc32)c(C)c1F 181677888 SCSVNIGXEXRSKY-CYBMUJFWSA-N 365.426 2.987 0 50 FFAA O=C(N[C@@H]1CN2CCC1CC2)c1cccc(-c2cnn(CC3CC3)c2)c1 534676018 URFCJPHEBGSDBE-HXUWFJFHSA-N 350.466 2.784 0 50 FFAA Cc1nonc1CC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 299788341 RWTVTJSEGNZZPK-UHFFFAOYSA-N 355.398 2.584 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)C2)cc1N1CCNC1=O 299766661 KJOAQLKKEKIUGC-SFHVURJKSA-N 365.433 2.818 0 50 FFAA O=C(NCc1nc2ccccc2s1)c1coc(CN2CCOCC2)c1 299777678 FMNRIXBJSYRSBC-UHFFFAOYSA-N 357.435 2.652 0 50 FFAA COCCN1C[C@H](CN(C)Cc2csc(-c3ccccc3)n2)CC1=O 299780458 JWBHBTLETIMIRV-HNNXBMFYSA-N 359.495 2.737 0 50 FFAA Cc1nonc1CC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 299764841 NDYCXRAAUXRVDD-AWEZNQCLSA-N 356.209 2.827 0 50 FFAA Cc1ccc(C)c(CC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)c1 299791595 DTPQTUWINYZXPU-IBGZPJMESA-N 351.450 2.548 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)c(C)c1 952971391 JZBWIPFEQYVUMP-INIZCTEOSA-N 352.438 2.605 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)CN1CCOc2ccccc2C1)N(C)C 952983169 STNZBNBWGOHPGB-KRWDZBQOSA-N 373.522 2.670 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565509766 OCKRWPYKGLSTNT-WOSNLTMFSA-N 361.445 2.799 0 50 FFAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565513863 TUFLFUZECLABMR-CVEARBPZSA-N 356.495 2.837 0 50 FFAA C[C@H](NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1cccc(F)c1F 186501718 VQTMGODIKGZHDJ-OLZOCXBDSA-N 355.429 2.512 0 50 FFAA CS[C@@H](C)CNC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275537019 GLZLKHNDTKYYJU-LSDHHAIUSA-N 364.515 2.596 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1=O 170603600 QICOTIWSMMOCRG-MRVPVSSYSA-N 355.765 2.958 0 50 FFAA O=C(Nc1ccc2c(c1)C[C@@H](O)C2)c1ccc(OC[C@H]2CCCO2)cc1 170618098 CHZVIFJYCAMOQO-AZUAARDMSA-N 353.418 2.956 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2cncc3ccccc23)CC1 190851520 BHRMNQHCIPBWQZ-UHFFFAOYSA-N 371.437 2.885 0 50 FFAA CC(C)Cn1cc(C(=O)NS(=O)(=O)Cc2ccccn2)c2ccccc21 793311769 LYLASGPUDOZFKA-UHFFFAOYSA-N 371.462 2.952 0 50 FFAA Cn1ccnc1NC(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 1529098594 IZGCPFVXIUUNTO-UHFFFAOYSA-N 355.419 2.646 0 50 FFAA CNc1nc(C(N)=O)c(NC(=O)c2cc(C)nc3cc(C)ccc23)s1 1529119390 GMJWWWVJOQWZDZ-UHFFFAOYSA-N 355.423 2.701 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(CCOc3ccccc3)C2)N1Cc1cscn1 212647231 SSOHTUHYDSLWDU-WBVHZDCISA-N 357.479 2.645 0 50 FFAA CC[C@@H](C(=O)N(CCO)Cc1ncc[nH]1)n1cc(C(C)=O)c2ccccc21 1704303638 MXUUNCNBUQELJG-KRWDZBQOSA-N 368.437 2.539 0 50 FFAA O[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1Cc1cnccn1 1704298883 KPBKJKOFFQMDAK-MLGOLLRUSA-N 355.335 2.670 0 50 FFAA Cc1nc(C)c(CN2CCCN(C(=O)c3ncc(F)cc3F)CC2)s1 1772817034 FOQZDCIQYJZMJP-UHFFFAOYSA-N 366.437 2.781 0 50 FFAA O=C([C@H]1CCc2sc(N3CCOCC3)nc2C1)N1C[C@H]2CC=CC[C@H]2C1 1772818150 NJVZHTPWYQDDED-HRCADAONSA-N 373.522 2.509 0 50 FFAA CC[C@@H](C)NC(=O)CC[C@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1 12040375 ZYBJHKPHXWNRNJ-JLTOFOAXSA-N 362.470 2.590 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(CN(C)Cc3ccccc3)on2)on1 12206211 KKEPOIISNZPOEQ-UHFFFAOYSA-N 354.410 2.875 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCO[C@@H](Cc2cccc(F)c2)C1 12303418 XTBRMNCXCABWQT-KRWDZBQOSA-N 357.381 2.681 0 50 FFAA COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1OC 13669288 YHQOWPQKHQPNGB-UHFFFAOYSA-N 353.415 2.754 0 50 FFAA CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O 13711060 FQKCOUCZVNOFEX-QGZVFWFLSA-N 362.451 2.879 0 50 FFAA O=C(NCc1ccncc1)c1cnc2scc(-c3ccccc3)n2c1=O 16626567 CPKHSADWURMVAZ-UHFFFAOYSA-N 362.414 2.748 0 50 FFAA CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC(F)(F)F)C2 19145822 COEUTNXTJCHTJG-CYBMUJFWSA-N 372.435 2.784 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO 19607707 NUDLPRNCSSPQRJ-NRFANRHFSA-N 356.514 2.787 0 50 FFAA N=c1cc(-c2nccn2Cc2noc(-c3c(F)cccc3F)n2)cc[nH]1 1857678005 QGSUSWZGTPFURK-UHFFFAOYSA-N 354.320 2.734 0 50 FFAA O=C(Cc1ccccc1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857710207 MABKFIWCVGUCEC-KNKQGSTJSA-N 362.429 2.530 0 50 FFAA Cc1ccnc(CN2CCOC[C@H]2c2c(C)nn(CC(F)(F)F)c2C)n1 329371201 IXRVFTOWXKNCQZ-AWEZNQCLSA-N 369.391 2.734 0 50 FFAA O=C(Nc1c[nH]nc1[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1)C1CCCC1 331492546 GPAVNDNGTFVOOW-GXTWGEPZSA-N 374.407 2.641 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 331954811 PPBPKFPLNHJZQP-HZPDHXFCSA-N 365.426 2.639 0 50 FFAA C[C@@H](NCc1cnn(C)c1)c1cc2c(cc1Br)OCCO2 237366351 WSSKXOUDOHATOG-SNVBAGLBSA-N 352.232 2.805 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 237647245 QZYCNZYTEKGAQQ-IOASZLSFSA-N 352.228 2.876 0 50 FFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)NC2CCCCCC2)c1=O 14995982 SMPLQJWDSHWSSU-UHFFFAOYSA-N 361.486 2.707 0 50 FFAA C[C@@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)Oc1ccc(Cl)cc1 155627668 FQEQQCUMDKATFO-KBXCAEBGSA-N 366.889 2.867 0 50 FFAA C[C@@H](CC1CCOCC1)N[C@@H](C(N)=O)c1cccc(Br)c1 488408504 AXAHLMIBVMAABW-XHDPSFHLSA-N 355.276 2.770 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 377651011 MJFTWVDCVLLMGC-OAHLLOKOSA-N 365.499 2.745 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3ccc(F)cc3Cl)C1)CC2 1704338672 WVBGDHURBHRCER-IBGZPJMESA-N 374.847 2.900 0 50 FFAA CC(=O)N1C[C@H](NC(=O)CCOc2ccccc2)CC[C@H]1C(F)(F)F 886044840 AVVZZWIYPWCOHS-HIFRSBDPSA-N 358.360 2.514 0 50 FFAA CC1(C)[C@@H](CN)CCN1C(=O)CSCC(=O)c1ccc(Cl)cc1 2325786337 CVIUQJYNPAUBDC-CYBMUJFWSA-N 354.903 2.842 0 50 FFAA CC[C@@H](CC(=O)NCCc1cc(C2CC2)on1)NC(=O)OC(C)(C)C 2325792785 LUWLIWXGDKXLKL-ZDUSSCGKSA-N 351.447 2.904 0 50 FFAA N[C@H]1CCCN(C(=O)c2cnc(Sc3nc4ccccc4s3)cn2)C1 2325796586 ZRBSSWOESUIWMM-NSHDSACASA-N 371.491 2.801 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCC(C)(C)OC(F)F)CC1=O 2325819689 NBACJJMRLPZSNK-GXTWGEPZSA-N 354.397 2.730 0 50 FFAA O=C(O)[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 136522484 PSTMXDYTLQLCMF-AWEZNQCLSA-N 374.828 2.877 0 50 FFAA CCOC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(C)(C)C)C1 885740 QSRBNXQAMGSJDM-QGZVFWFLSA-N 352.818 2.840 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 1054159 DMJGPASMZSNEAZ-UHFFFAOYSA-N 352.390 2.580 0 50 FFAA in-vitro Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1C 1141626 GBKDNWXIZLCNLR-UHFFFAOYSA-N 352.843 2.637 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2ccccc2Cl)cc1OC 2864553 BFUSZWQBBKYDSX-UHFFFAOYSA-N 362.813 2.655 0 50 FFAA CCOP(=O)(OCC)[C@@]1(O)C(=O)Nc2ccc(Br)cc21 2939877 JAKUQHVGXURMGL-GFCCVEGCSA-N 364.132 2.812 0 50 FFAA COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1OC 2982434 MNJSRNFSPSLRRT-UHFFFAOYSA-N 353.465 2.774 0 50 FFAA Cn1cc(NC(=O)CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)cn1 2356159855 SUOLFNPEFMSBTM-ZWKOTPCHSA-N 356.470 2.847 0 50 FFAA CCOc1ccccc1-c1noc(CCC(=O)NCc2cccnc2)n1 4413212 GYIHWICTKSFLEZ-UHFFFAOYSA-N 352.394 2.779 0 50 FFAA CCCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 4815669 ROFSQRUIGGUYFQ-UHFFFAOYSA-N 372.494 2.764 0 50 FFAA O=C(CCNC(=O)c1ccc(F)cc1)NCc1c[nH]nc1-c1ccccc1 55385981 BQEVJKGXZLTUFX-UHFFFAOYSA-N 366.396 2.652 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)cc21 245923152 YHALQRYQGFRIRQ-MZMPZRCHSA-N 362.495 2.937 0 50 FFAA C[C@H]1CN(C(=O)c2cc(COc3cccc4cnccc34)on2)CCN1C 55244588 LQXZLCMQJSRSCL-AWEZNQCLSA-N 366.421 2.578 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCN(Cc2ccccn2)CC1 20539943 XIDFECRGHBOZRV-MRXNPFEDSA-N 356.495 2.526 0 50 FFAA CCCCS(=O)(=O)N1CCc2[nH]nc(-c3c(F)cccc3F)c2C1 23581367 BOQSAEHWIWQJNH-UHFFFAOYSA-N 355.410 2.843 0 50 FFAA O=C(O)c1ccc(-c2noc(CN3CCC[C@H](Cn4ccnc4)C3)n2)cc1 67674781 HCGANWRZGCZHHR-AWEZNQCLSA-N 367.409 2.544 0 50 FFAA CCOCc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)ccc1OC 20453344 VVCKBPSRNDEGHD-IBGZPJMESA-N 350.503 2.509 0 50 FFAA CC1CCN(Cc2ccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)o2)CC1 67842061 AEXQNMZEHOZKDU-OAQYLSRUSA-N 373.497 2.596 0 50 FFAA COc1cccc(-c2c[nH]nc2C2CCN(c3nccc(N)n3)CC2)c1 67947404 DRWRFVGYNGKVLV-UHFFFAOYSA-N 350.426 2.842 0 50 FFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CC2(CCNCC2)CN1 72167341 JSRYUAHOWSDNGJ-OAHLLOKOSA-N 356.297 2.650 0 50 FFAA CCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCC(C)C)n1 2795432 DOEKNGPHJAXJFY-UHFFFAOYSA-N 350.369 2.819 0 50 FFAA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc2c(c1)OCO2 2800663 VMEUIFCULFFLAT-UHFFFAOYSA-N 356.769 2.961 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCCC[C@@H]1C(=O)O 120177508 WSDKWZWWRFFBHV-RYUDHWBXSA-N 360.439 2.672 0 50 FFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@@H](Oc2ccncc2)C1 120548472 FCJACEDDGRWPTO-OAHLLOKOSA-N 353.378 2.860 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cc1 72431622 IGLKSVXZTJRGFH-FQEVSTJZSA-N 367.445 2.878 0 50 FFAA CN1CCN(C[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 77450112 WPSAKPNLFTWYEK-OAHLLOKOSA-N 369.431 2.805 0 50 FFAA COc1nc2c(cc1CNC(=O)C1CCCC1)C(=O)N(C1CCCC1)C2 71615228 ATNYGQHTVHNRAF-UHFFFAOYSA-N 357.454 2.795 0 50 FFAA Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc3c(=O)[nH]cnc3cc1F)C2 151909654 LRZPWJZXHAGUSZ-QGZVFWFLSA-N 353.353 2.621 0 50 FFAA CCCc1nn(-c2cccc(C)c2)c(=O)n1CC(=O)NCc1ccc(C)o1 77354169 UPAZWAMHDZAAFH-UHFFFAOYSA-N 368.437 2.513 0 50 FFAA CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(=O)O 236705469 FFGZJERAAXSKJV-HNNXBMFYSA-N 357.410 2.596 0 50 FFAA Cn1cc([C@@H]2CCN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)cn1 157039480 YIGUEHXBOJINHF-MRXNPFEDSA-N 372.432 2.784 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)cnn1-c1cccc(C(F)(F)F)c1 237749274 PXANDBHKTJCBCI-CQSZACIVSA-N 367.327 2.889 0 50 FFAA O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccco1 239366936 AGVGQFTXANLEKB-NWANDNLSSA-N 369.339 2.958 0 50 FFAA CN1Cc2ccccc2[C@@H](NC(=O)N(C)Cc2ccc3c(c2)OCO3)C1 378281314 RAYDSEVEIKZQDM-KRWDZBQOSA-N 353.422 2.743 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc4[nH]c(C)nc4c3)CC2=O)cc1 40283687 KRZAZOYWBVELIC-ZDUSSCGKSA-N 364.405 2.872 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2cccc(C)c2n1 82139019 GTDGPYIWTKUHQW-IBGZPJMESA-N 359.429 2.904 0 50 FFAA CCCc1cncnc1N1CCC(Oc2ccccc2OC)(C(=O)O)CC1 82092061 UIHQEWVYNXSREG-UHFFFAOYSA-N 371.437 2.940 0 50 FFAA COc1ccccc1C1CCN(C(=O)CN(C)Cc2ccncc2)CC1 223283209 URHVPYUDPHOEET-UHFFFAOYSA-N 353.466 2.928 0 50 FFAA C[C@H](O)c1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1 426379628 FICSDWNXNRRDPN-INIZCTEOSA-N 368.477 2.593 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3cccc4cnccc34)C2)n1 426574830 GSZZKOIMIIDCIT-KRWDZBQOSA-N 350.422 2.896 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82108973 YORYSPALFOUPCI-MRXNPFEDSA-N 368.433 2.646 0 50 FFAA O=C1CC2(CCN(C(=O)NCc3cccc(C(F)(F)F)c3F)CC2)CN1 426421842 LBVPBNODIHMYTF-UHFFFAOYSA-N 373.350 2.656 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(CC)cc4)C(=O)[C@H]13)O2 239038707 DSFJYNNUZMGTJH-WIRSXHRWSA-N 355.434 2.879 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2nccs2)CC1 91950789 NQYJBMDZVHTZBT-UHFFFAOYSA-N 371.514 2.687 0 50 FFAA CCc1n[nH]c(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1C 97288831 ZTIBCSCHQYFRRS-UHFFFAOYSA-N 361.490 2.517 0 50 FFAA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@@H](CO)c2ccccc2)[nH]n1 230215694 RBABHBDZCQCZRC-SFHVURJKSA-N 367.453 2.934 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)C1CCN(Cc2ccco2)CC1 95369658 FHLXSRMGHVKWKE-UHFFFAOYSA-N 372.469 2.891 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)c2ccnnc2)C1)c1cccc2ccccc12 95519355 WQZQLUWIDIUIHD-INIZCTEOSA-N 374.444 2.912 0 50 FFAA CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CC(C)(C)OC1(C)C 178747254 QUTLPNCLZMHLQA-QGZVFWFLSA-N 368.543 2.950 0 50 FFAA CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@H]1N(C)C 95369884 WGOGTTKVXFRXOB-VQTJNVASSA-N 357.542 2.695 0 50 FFAA COc1cccn(CC(=O)N(C)Cc2ccccc2C(F)(F)F)c1=O 95509621 GMMVPRVJNJQSMF-UHFFFAOYSA-N 354.328 2.534 0 50 FFAA O=C(Cn1ccccc1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 97528082 HTYYHHPBHMTPMO-IBGZPJMESA-N 353.466 2.582 0 50 FFAA COc1cccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c1 91493943 VZCQGRUBZLXANR-ZWKOTPCHSA-N 357.381 2.704 0 50 FFAA COc1ccc(CCNC2CCN(c3nc(C)cc(C)n3)CC2)cc1OC 95361836 PIJANPBCVVLGME-UHFFFAOYSA-N 370.497 2.912 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)[C@@H]1CCCCCN1C 97213294 AWDUFNRYCRDARN-SFHVURJKSA-N 358.486 2.837 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CN(C)C2CCCC2)C3)cc1 96165713 YGGJWUVZJXDLJJ-UHFFFAOYSA-N 368.481 2.844 0 50 FFAA COc1ccc([C@@H](NC(=O)CCc2ccccc2OC)[C@H]2C[C@@H](O)C2)cn1 244647005 GTHSSSVQDIBYGF-LLGFUMIMSA-N 370.449 2.660 0 50 FFAA CC[C@H](C(=O)N[C@H]1CCCN(c2cccnn2)C1)c1ccc(OC)cc1 180865181 FNMDBSLJTLIFFJ-WMZOPIPTSA-N 354.454 2.764 0 50 FFAA Cc1cc(NC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)n(C(C)C)n1 299770225 QCJZMIDVHWJBBM-KRWDZBQOSA-N 363.506 2.881 0 50 FFAA O=C(CCN1CCCCC1=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 828057224 XBXNUDVHNCVVPE-SFHVURJKSA-N 360.454 2.976 0 50 FFAA CCCO[C@@H](C)CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 584896269 ASCTYSYTDOPIDS-HNNXBMFYSA-N 353.894 2.982 0 50 FFAA CCCN1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc(C)o2)CC1=O 822919197 OHGFKXICJOIEOH-CQSZACIVSA-N 369.421 2.581 0 50 FFAA CCN(CCn1cccn1)C(=O)c1cccc(-c2ncc(F)c(OC)n2)c1 584900123 GVLZBGBDYXWGPG-UHFFFAOYSA-N 369.400 2.650 0 50 FFAA CCc1cc(CN(C)C(=O)NCc2nc(Cc3cccs3)no2)on1 584903593 PVNVYBPINXGTGA-UHFFFAOYSA-N 361.427 2.614 0 50 FFAA O=C(NCc1nc(O)n[nH]1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 584902870 YTCVOZMODACNER-CYBMUJFWSA-N 357.414 2.536 0 50 FFAA COC[C@@H]1CCCN1S(=O)(=O)NCc1sc2ccccc2c1Cl 670460968 RBTFATFTRJQJLZ-NSHDSACASA-N 374.915 3.000 0 50 FFAA Cc1ccnc(Oc2ccc(NC(=O)N[C@@H]3CCc4[nH]ncc4C3)cc2)n1 164226138 ZTQIXAZEQCRPFE-OAHLLOKOSA-N 364.409 2.979 0 50 FFAA CC1(C)CN(C(=O)c2ccn(CC(F)F)n2)CCN1Cc1ccccc1 194048116 WBEWVUBQJLLGSF-UHFFFAOYSA-N 362.424 2.885 0 50 FFAA Cc1cccc(C(=O)NS(=O)(=O)c2ccc(F)c3ncccc23)c1F 761119220 KNKPBTRGROVQGR-UHFFFAOYSA-N 362.357 2.940 0 50 FFAA O=C1CC[C@H](NC2CCN(C3CCSCC3)CC2)CCN1CC1CC1 1506423354 WFPOVLRSOHVMDY-KRWDZBQOSA-N 365.587 2.727 0 50 FFAA Cc1nc(N2CCCC2)nc(N2CCC(c3ccn(C)c(=O)c3)CC2)c1C 1772817876 YWPSMWHXQKATRV-UHFFFAOYSA-N 367.497 2.776 0 50 FFAA Cc1cccc(CCN2CCCN(C(=O)Cc3ccc(F)cc3F)CC2)n1 1772808672 XTIMOWDKJHZPKI-UHFFFAOYSA-N 373.447 2.988 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)c1coc(COc2ccc(F)cc2)n1 12200632 CNLIJCURPZZKCC-UHFFFAOYSA-N 358.373 2.707 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1cccs1)N1CCOCC1 15017224 ZCBLFLABFHEDIL-HKUYNNGSSA-N 356.447 2.847 0 50 FFAA COc1cccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c1OC 19789922 JHOVGAQFVDVTOR-UHFFFAOYSA-N 354.450 2.591 0 50 FFAA CCc1noc(-c2cccn3c(CNC(=O)CC4CCCCC4)nnc23)n1 169775996 CDNKECODJPMIRS-UHFFFAOYSA-N 368.441 2.928 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2C[C@@H]2CN(C)CCO2)n1 1857677441 BVSUXHQOFGIYHK-KRWDZBQOSA-N 369.444 2.822 0 50 FFAA Fc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2-c2ccco2)CO3)cc1F 1857706732 OUZRNECYBTVPLY-LJQANCHMSA-N 372.375 2.991 0 50 FFAA O=C1CCO[C@H]2CN(Cc3ccncc3Cl)C[C@@H]2N1Cc1ccccc1 1857720515 XRGLONLCSJCLII-OALUTQOASA-N 371.868 2.737 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)nn1C(C)C 1857722626 KLYMHMFQJRWPQX-PMACEKPBSA-N 370.497 2.916 0 50 FFAA CCOc1ncccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857738518 LKYJSJACNDEFRN-OALUTQOASA-N 369.465 2.624 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H]([C@H](C)N)C1 247126217 NBWWRZWJCOEFLI-RWMBFGLXSA-N 355.276 2.802 0 50 FFAA COc1ccccc1OCC(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 247927319 QOWFHOUASICRPF-ROUUACIJSA-N 358.482 2.797 0 50 FFAA CCOC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1 252490726 KZRVVJXKDFJGOK-LBPRGKRZSA-N 363.458 2.922 0 50 FFAA CN1CCCN(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)CC1=O 252532965 FOVMSNBRGRJKNL-UHFFFAOYSA-N 373.482 2.560 0 50 FFAA COc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)cc1 19765475 XANJWJGQROHIQR-OAHLLOKOSA-N 357.387 2.818 0 50 FFAA NC(=O)c1cccc(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 363491456 VGPGRUHWDSSBBF-GOSISDBHSA-N 351.450 2.950 0 50 FFAA CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 798258362 WLVNTHPRCHNYJH-UHFFFAOYSA-N 354.457 2.640 0 50 FFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1Cc1cncc(Br)c1 495161017 FKKLXMUICRXWDC-XHSDSOJGSA-N 355.276 2.596 0 50 FFAA O=C1CC[C@@H](N2Cc3c(cccc3-c3cccc4cc[nH]c34)C2=O)C(=O)N1 1875357137 ZSBQSPSMZZPRTA-QGZVFWFLSA-N 359.385 2.596 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CC[C@](C(=O)O)(C2CCC2)C1 1875300617 KMKPVAKHMFHKLU-HXUWFJFHSA-N 358.438 2.773 0 50 FFAA O=C(Cc1csc(C(=O)O)c1)NC[C@H]1C[C@]12CCOc1ccccc12 1875306252 YMFBSCPQCNZIJQ-BFUOFWGJSA-N 357.431 2.845 0 50 FFAA CCn1cc(Cl)cc1C(=O)N1CCC2(C1)CN(c1nccc(C)n1)C2 1875405309 CJTZLDQVHMZRRM-UHFFFAOYSA-N 359.861 2.612 0 50 FFAA O=C(N[C@H]1CCCc2c(O)cccc21)N1CCC(Oc2cnccn2)CC1 888102477 RWUWBQCDEGGPFQ-KRWDZBQOSA-N 368.437 2.813 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1n1cccn1)CCC2 888102456 GCLYFIWTMWRGLA-CEXWTWQISA-N 374.510 2.681 0 50 FFAA O=C(N[C@@H]1CC12CC(O)C2)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 888951268 MQOBMTZSOVKZNB-AUCMRZJMSA-N 369.383 2.684 0 50 FFAA O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@H]1CCC[C@@H](O)C1 2325722028 UIGSRDNYXMOVNV-PKOBYXMFSA-N 352.434 2.753 0 50 FFAA O=S(=O)(c1ccc(N[C@H]2CCNCCC2(F)F)cc1)C(F)(F)F 2325766158 JPYDNLXBBDYKME-NSHDSACASA-N 358.332 2.779 0 50 FFAA C[C@H](CCNC(=O)Cc1cncc2ccccc12)NC(=O)CC1CCC1 2325867682 CEXHTEJIKNUWGG-OAHLLOKOSA-N 353.466 2.979 0 50 FFAA CC(C)CC(=O)NCC[C@@H](C)N(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868012 LTMQTRJPLMKVAO-CSNJMZFVSA-N 351.535 2.649 0 50 FFAA CCN(Cc1c(CO)cnc(C)c1O)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 910539562 QPYMBDSULWRRJO-CQSZACIVSA-N 372.469 2.726 0 50 FFAA COc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC 729752 QSDPBLCMFCTFEO-UHFFFAOYSA-N 358.394 2.947 0 50 FFAA COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O 754307 SDMYZAFOXJKZSN-RHSMWYFYSA-N 368.389 2.579 0 50 FFAA biogenic COCCN1CCC[C@]2(CCCN2CCCOCc2ccccc2)C1=O 2356135866 WTPBLGNAMWYPRU-NRFANRHFSA-N 360.498 2.697 0 50 FFAA Cn1cc(CC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)c2ccccc21 2356157189 DJKNSEGQICRSJQ-FQEVSTJZSA-N 356.466 2.643 0 50 FFAA CCn1c(CNC(=O)c2ccco2)nnc1SCCOc1ccccc1 4816130 AOHWMAAUPMSKIM-UHFFFAOYSA-N 372.450 2.992 0 50 FFAA O=C(CCn1c(S)nc2ccccc2c1=O)NC[C@H]1C[C@H]2CC[C@H]1C2 225404211 BACUHWRQHCGOCA-MELADBBJSA-N 357.479 2.628 0 50 FFAA Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1cccc(Cl)c1 102615762 HHVMWCYLUWFMHO-JHNDHUHGSA-N 371.824 2.560 0 50 FFAA CCCc1cn(CC(=O)Nc2c3c(nn2C)CCC3)nc1-c1cccnc1 20919504 HVDFWDIQQMCUHU-UHFFFAOYSA-N 364.453 2.759 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1C 65470588 YIPCCMCCMBOKPK-OAHLLOKOSA-N 353.422 2.678 0 50 FFAA CC[C@@H](C(=O)NC1CCCCC1)N(C)Cc1nc(-c2ccccn2)no1 65489839 QIOVGARYURATKV-INIZCTEOSA-N 357.458 2.791 0 50 FFAA Cc1cccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1 67982992 GXLBIIHSDVEAOO-QFIPXVFZSA-N 352.478 2.681 0 50 FFAA CCCc1nc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cs1 65422713 CWZSWBZUUXWWGR-UHFFFAOYSA-N 357.357 2.881 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38833509 PPIOVTPJAOBRNS-QGZVFWFLSA-N 374.462 2.859 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(CCCc2ccccc2)CC1 35415900 JQWMTUVATNGNEH-UHFFFAOYSA-N 362.470 2.765 0 50 FFAA COCc1noc([C@H](C)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328648066 UJFDTVYJUNCEIN-IHRRRGAJSA-N 368.478 2.883 0 50 FFAA CCCNc1ncc(CN2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77523154 JXCQIQFFKDLGKO-OAQYLSRUSA-N 371.529 2.913 0 50 FFAA O=C(O)CCCCCC[C@@H]1C(=O)NC(=O)N1CC[C@H](O)C1CCCCC1 4257978 ZIDQIOZJEJFMOH-CVEARBPZSA-N 368.474 2.663 0 50 FFAA biogenic,in-vitro COc1ccnc(N2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)n1 215711130 IIZJKOGJXJEXGV-INIZCTEOSA-N 358.442 2.642 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc(-n2cccn2)cc1 77517045 LXERVXKEYKGEHH-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)oc12 72152447 DKLNFBNQJHVOAJ-KRWDZBQOSA-N 364.785 2.762 0 50 FFAA CC1=NN(C(=O)[C@@H](C)n2nc(C)c(Cl)c2C)[C@](O)(C(F)(F)F)C1 6526579 BQLZOIDOZHVFDT-BXKDBHETSA-N 352.744 2.573 0 50 FFAA O=C([C@@H]1CCCN1C(=O)C1CCCCC1)N1CCC(c2ncc[nH]2)CC1 72469320 YZEZARGUZBAXBC-KRWDZBQOSA-N 358.486 2.687 0 50 FFAA Cc1nc2c(c(N3CCC(c4nc5c(C)cccc5[nH]4)CC3)n1)CCNC2 71747111 WZAMOYFRUIINHI-UHFFFAOYSA-N 362.481 2.999 0 50 FFAA CCCOCC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 72144889 KCBYRICBWCZNSM-IBGZPJMESA-N 359.514 2.535 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@H](N3CCCC3)C2)[C@H]1c1ccccc1 363531723 XLYWLSTWADSYPV-IRFCIJBXSA-N 369.509 2.683 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cn4ccccc4n3)CC2)OC1=O 77407858 ILFYXFJWKZZEAQ-HNNXBMFYSA-N 370.453 2.950 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCOCC2)c(C)s1 77319544 QJLXAWCCQNWJLT-MRXNPFEDSA-N 372.556 2.630 0 50 FFAA COc1ccc(CCCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 72476902 WNYQZUXYHYBYHO-SFHVURJKSA-N 374.525 2.977 0 50 FFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1 156130664 ZJLIUILYKHDZIJ-INIZCTEOSA-N 350.426 2.595 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1CCOCC(F)F 372748190 XDRGDRCTVKSFFM-LBPRGKRZSA-N 371.350 2.717 0 50 FFAA COc1ccc(Nc2nc(C(=O)N3CC[C@](C)(C(=O)O)C3)cs2)cc1 449143997 IILBGBRHEHOGAM-KRWDZBQOSA-N 361.423 2.832 0 50 FFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@@H](Cn2ccnn2)C1 131514235 WPOCDSZGKZVBGY-SJORKVTESA-N 361.490 2.582 0 50 FFAA Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCc2nn(C)c(=O)cc2C1 176895178 MJEKBVJRPONLAN-UHFFFAOYSA-N 368.481 2.745 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)cc1=O 82133945 SOKWBYITDBIWDD-SFHVURJKSA-N 352.434 2.532 0 50 FFAA CC(C)Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)on1 426618074 DZJZTDDRBDMFKZ-HXUWFJFHSA-N 359.470 2.738 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]2C[C@@H](O)C2)c1 223118896 LRTNLQRFGAUJLH-YVWKXTFCSA-N 352.434 2.821 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)NCc1cccc(CN2CCCC2)c1 222356947 RXQSYQLNGOZVSM-UHFFFAOYSA-N 368.481 2.644 0 50 FFAA O=C1OCCCN1CCNC(=O)N(Cc1cccnc1)C1CCCCC1 426428800 ANYPJXATUUQMJM-UHFFFAOYSA-N 360.458 2.768 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(CSC)o1)CC2 91914635 DTRULVBMRXOYFE-UHFFFAOYSA-N 374.510 2.875 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H](C)Oc1ccc3ccccc3c1)C2 91782457 QXYMZQINWHTIMW-CYBMUJFWSA-N 363.417 2.552 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cnc(-c2cccnc2)nc1 95356417 PLTSFTJMVNNLGL-MRXNPFEDSA-N 350.426 2.580 0 50 FFAA COCCN1CC[C@@H](CNC(=O)c2ccc(-c3ccncc3F)cc2)C1 426442869 HYNUSKRYWFGMRS-HNNXBMFYSA-N 357.429 2.586 0 50 FFAA O=C(O)c1cccc(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 92064943 GXTRKMYJXZWSKB-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)[C@@H]1COc2ccccc2C1 97797385 RGDNQFZXTMQXRZ-ZDUSSCGKSA-N 355.419 2.589 0 50 FFAA Cc1nc(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cs1 95384240 DPILXVFILDLHLA-OAHLLOKOSA-N 361.515 2.620 0 50 FFAA CN1CCC[C@H](CCC(=O)NCCc2nccc(-c3ccccc3)n2)C1 95373747 CYDQJNKDKWVTSY-QGZVFWFLSA-N 352.482 2.924 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)Nc1ccnn1C1CCCC1 96164083 DCVSZISGZRPFPP-UHFFFAOYSA-N 366.425 2.530 0 50 FFAA CSc1cccc(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c1 91974202 KULGIWLCRAOMBS-FQEVSTJZSA-N 364.555 2.704 0 50 FFAA Cn1c(CCCNC2CCN(c3ncccn3)CC2)nc2ccccc21 95530028 KGVCNTRIPIHIHW-UHFFFAOYSA-N 350.470 2.555 0 50 FFAA CCn1ccc(C(=O)N[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)n1 92097483 YLQONTHENPQULN-CYBMUJFWSA-N 353.426 2.897 0 50 FFAA Cn1nc(CN2CCn3nc([C@H](O)C4CC4)cc3C2)c2c(Cl)cccc21 230541158 AAYGNISOYZGCFL-LJQANCHMSA-N 371.872 2.882 0 50 FFAA CC[C@]1(CO)CCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 91325658 BXDYLAYPRXGIFR-SFHVURJKSA-N 353.846 2.665 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CC[C@@]2(CCCN(C)C2=O)C1 91270308 PSUHITFAMDYKGQ-IBGZPJMESA-N 364.511 2.870 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)s1 95390259 PJTYBEDOVBHKIR-LSDHHAIUSA-N 359.499 2.528 0 50 FFAA Cc1ccc2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)cn2c1 95385422 GWNPDHBVVYKKFG-INIZCTEOSA-N 352.438 2.764 0 50 FFAA Cc1ccsc1CN[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 257372179 AYCNPSMFOVSCSB-OTVXOJSOSA-N 359.499 2.814 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)c1ccc(-c2nccnc2NC)cc1 534635601 OIMXIZIIYYALJN-UHFFFAOYSA-N 352.398 2.539 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c1 534670118 KXZFNKPOIYGRGA-SFHVURJKSA-N 368.481 2.966 0 50 FFAA CN1C(=O)C[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)c2ccccc21 361066851 BMQADJNBIFRIDT-LJQANCHMSA-N 374.444 2.681 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccccc2-n2cccn2)C2(CCCCC2)O1 299802175 XUDCBWQTGWUORD-MRXNPFEDSA-N 353.422 2.755 0 50 FFAA CCS(=O)(=O)Nc1cc(C(=O)O)c2c(c1)nc(-c1ccccc1)n2C 299794638 KYVGPKZURMCYOE-UHFFFAOYSA-N 359.407 2.700 0 50 FFAA CCC[C@H](NC(=O)c1cnc(-c2cccnc2)nc1C)c1nccn1C 299776852 DPSUJAUNTOEONZ-INIZCTEOSA-N 350.426 2.852 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)c3noc4c3CCCC4)n2)cc1 299781273 CLMJRALVXJPRCT-UHFFFAOYSA-N 352.394 2.884 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4nc(C)n(C)n4)c3)C2)no1 299778810 HPBIFMPBUSIUEM-MRXNPFEDSA-N 366.425 2.502 0 50 FFAA CC1(C)SC[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)NC1=O 299795931 MHZAUGZAFCQDEI-CQSZACIVSA-N 373.478 2.544 0 50 FFAA COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C 575448880 RBUYFHLQNPJMQM-UHFFFAOYSA-N 353.422 2.679 0 50 FFAA in-vitro CC1(C)CCN(S(=O)(=O)NC2CCN(Cc3cccs3)CC2)CC1 822299661 RAUXYQGUDMKIFK-UHFFFAOYSA-N 371.572 2.669 0 50 FFAA CCCn1ncnc1-c1ccc(C(=O)NCc2nnc(CC)s2)cc1 584889825 MJQIFGORWWENEP-UHFFFAOYSA-N 356.455 2.699 0 50 FFAA O=c1c2c(Cl)cccc2ncn1C[C@H](c1cccnc1)N1CCOCC1 584896887 XPOSONLEXSJNOB-QGZVFWFLSA-N 370.840 2.518 0 50 FFAA CNC(=O)[C@H]1CCCN1C(=O)NCc1cc(COc2ccccc2)cs1 670471841 APBHDUFPYXPNLI-QGZVFWFLSA-N 373.478 2.747 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CC(=O)OC23CCCC3)ccc1N1CCCC1=O 952874132 WZZNVTYNWZUYKN-HNNXBMFYSA-N 356.422 2.936 0 50 FFAA Cc1oc(Br)cc1C(=O)NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 408500977 PMTHHOISFZTYON-YWVKMMECSA-N 362.245 2.599 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)Cc1ccccc1 271888407 BOWUHGKUVUOJLF-PMACEKPBSA-N 366.461 2.711 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 186637957 FHAALPRAMROIDF-UHFFFAOYSA-N 373.428 2.693 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275799164 UPWHFOBNGODCPR-INIZCTEOSA-N 356.495 2.744 0 50 FFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)cc1 278481022 APXZLWATMAERRF-HNAYVOBHSA-N 372.490 2.802 0 50 FFAA C[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1CO 191184982 XVKPLSOUHPOWPI-MLGOLLRUSA-N 350.260 2.838 0 50 FFAA CN(C)[C@H](C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 195328864 CZBZPIKSDBMBRF-FQEVSTJZSA-N 371.525 2.977 0 50 FFAA COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2cnc(O)cc2C)cc1 762341783 CCPBWROMVMOQBY-PXNSSMCTSA-N 356.422 2.617 0 50 FFAA COc1cc2c(cc1CNC1CCN(C(=O)c3cccnc3)CC1)CCC2 1506400758 CEQNHGQCNPVFRQ-UHFFFAOYSA-N 365.477 2.973 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1506418930 VAJTZLNXJJMKLP-OAHLLOKOSA-N 367.453 2.689 0 50 FFAA Cc1nc(C)c(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 1529190962 QKRJKCBRWVIVPC-IAGOWNOFSA-N 357.479 2.658 0 50 FFAA CC(C)CCN1C(=O)CC[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)CC[C@@H]21 219280477 CBRFVFXIFDYZRC-HIFRSBDPSA-N 368.428 2.777 0 50 FFAA CN(C)CCN(Cc1ccccc1)C(=O)c1cn(C2CCCCC2)nn1 11933498 KCBDFOUYBANTAM-UHFFFAOYSA-N 355.486 2.987 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@H]3C(=O)NCc2ccccc2)cnn1C 11971983 BGRDPZNZFLPVDC-IBGZPJMESA-N 352.482 2.647 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cnn(C)c2)C1 12000090 RHRFWZJUTOJPCR-NRFANRHFSA-N 371.481 2.817 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccnc2)CC1 12305640 MAIYGYKMLQNKSG-FQEVSTJZSA-N 358.530 2.674 0 50 FFAA CN(C)CCSc1nnc(CNC(=O)c2cccc3ccccc23)n1C 12456890 HIWIXPSUSHYAIX-UHFFFAOYSA-N 369.494 2.552 0 50 FFAA CC(C)NCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 12749594 JHYZNVASBYJPNO-OAQYLSRUSA-N 354.494 2.983 0 50 FFAA CSc1nnc(CNC(=O)Cc2cccs2)n1Cc1ccccc1 14991926 USFPZLHAPSSVNV-UHFFFAOYSA-N 358.492 2.969 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCCC1 16622958 XSYRPZPMOQOQDO-UHFFFAOYSA-N 366.483 2.542 0 50 FFAA C[C@@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1c1ccc(F)cn1 1857674265 AILNRUAUTMZYGH-MRXNPFEDSA-N 358.461 2.989 0 50 FFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCC2(C)CC2)cn1 1857719871 WFEVVXFLHKXWKQ-ICSRJNTNSA-N 374.529 2.755 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1875241080 OFWCFKFGHUQAEY-QRWLVFNGSA-N 367.424 2.615 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(=O)[C@H](C)C1 225422862 QNWODMMDPVHEAQ-CJNGLKHVSA-N 354.454 2.727 0 50 FFAA Cc1cccn2c(CNc3ccc(C(=O)NCCO)c(Cl)c3)cnc12 225430451 TVLXKKUPEJJGAA-UHFFFAOYSA-N 358.829 2.630 0 50 FFAA COc1cccc([C@H](CNC(=O)Nc2ccc(OC(C)C)nn2)N(C)C)c1 225609455 JGTZDDIOUAQNSA-INIZCTEOSA-N 373.457 2.697 0 50 FFAA O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc2c(c1)OCCO2 116367121 CMWBTUDBOBWKIY-UHFFFAOYSA-N 366.464 2.662 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(=O)O)s1 391880967 JIHYHXPRPWVDTH-CQSZACIVSA-N 351.449 2.738 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3ccc4c(c3)OCO4)C1)CC2 1704300843 XVZNIPNBEQYSJZ-NRFANRHFSA-N 365.433 2.563 0 50 FFAA N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CC(Cc2ccccc2)Cc2ccccc2)C1 1875287356 GSICKMOUNFBNED-BHIFYINESA-N 366.505 2.693 0 50 FFAA COCCn1nc2c(c1C(=O)NCc1c(C)coc1C)C[C@H](C)O[C@@H]2C 1875314669 LKRSEHDVXSHWSI-GXTWGEPZSA-N 361.442 2.692 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](C(=O)OC)CC23CCCC3)cc1 1875380249 JQUNRDVRULRWIR-HNNXBMFYSA-N 356.422 2.759 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)CC1 1875365564 AQFIYLHRMXYZPJ-ZDUSSCGKSA-N 350.846 2.648 0 50 FFAA C=CC(=O)N[C@@H](C)[C@H]1CN(C(=O)CCc2ccc(C(C)C)cc2)CCO1 1875386239 LMWKCKOUULDWLP-QFBILLFUSA-N 358.482 2.661 0 50 FFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCCC[C@H]1c1cc[nH]n1 1875317138 OPHGPBAVQDVHNN-YOEHRIQHSA-N 354.410 2.598 0 50 FFAA Cc1cccc(C(C)(C)C(=O)NCc2nnnn2-c2ccc(F)cc2)c1 1875317481 YQLGWSRKCOWWEP-UHFFFAOYSA-N 353.401 2.704 0 50 FFAA Cc1nn(Cc2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)cc1-c1ccccc1 888076705 LOGMJEPTIQALSF-CXAGYDPISA-N 353.426 2.681 0 50 FFAA CN(C)c1ncnc2c1CN(C(=O)c1cscc1C(F)(F)F)CC2 888100813 WKVAGIGZOBMNMW-UHFFFAOYSA-N 356.373 2.821 0 50 FFAA C[C@@H]1Cn2nc(C(=O)Nc3cccc(NCC(F)(F)F)c3)cc2CN1 2325795589 OKCWYGWEXTZVOZ-SNVBAGLBSA-N 353.348 2.601 0 50 FFAA CC1(C)C[C@H](C(F)F)CN1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 2325807378 WAOCGHHFFCADLZ-UWVGGRQHSA-N 371.350 2.615 0 50 FFAA O=C([C@H]1CCCN(C2=NCCN2Cc2ccccc2)C1)N1C[C@H]2CC[C@H]1C2 2325842270 SUKVSZPHOARZJJ-UFYCRDLUSA-N 366.509 2.581 0 50 FFAA Cc1c(O)cccc1C(=O)N1CC[C@@H]2[C@@H](NC(=O)[C@H]3C[C@H]4[C@@H](C3)C4(C)C)[C@@H]21 2325872283 QEGMYYGUVSPDJN-ZXRSWKFCSA-N 368.477 2.712 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1Cl)NCc1ccccc1 1071665 UWKUOKTWCFZKAL-UHFFFAOYSA-N 359.842 2.724 0 50 FFAA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccccc1F 1074224 ALOCRQOBFCAERQ-UHFFFAOYSA-N 357.790 2.501 0 50 FFAA Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 1234918 UWZSTOPPNKCPOJ-INIZCTEOSA-N 363.460 2.501 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 2858636 JADILTJPKLJQCH-CYBMUJFWSA-N 363.508 2.998 0 50 FFAA O=C1C[C@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1Cc1ccccc1 100788972 UXOMCKBUZWTLOF-ZWKOTPCHSA-N 354.450 2.578 0 50 FFAA CCN(CC)[C@@H](CNC(=O)Nc1cc(N(C)C)ncn1)c1ccsc1 225849834 MTFKXZXFRFUTFU-AWEZNQCLSA-N 362.503 2.809 0 50 FFAA COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@]12c1ccc(Cl)cc1 100891168 GKDAJZXSLMHDJA-DOXZYTNZSA-N 355.777 2.570 0 50 FFAA C[C@H](O)c1cn(C2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)nn1 23337668 FOQPAKOLHGGFSC-HNNXBMFYSA-N 366.469 2.569 0 50 FFAA C[C@@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 63844995 WHZQGVOMOIOJGN-OAHLLOKOSA-N 363.465 2.802 0 50 FFAA Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccccc1NCC(=O)O 65383254 WATJIICYBDWCEX-HNNXBMFYSA-N 356.422 2.997 0 50 FFAA COc1cc(OC)c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)cc1OC 67490947 ARCMTLZMQMIOBV-UHFFFAOYSA-N 371.437 2.857 0 50 FFAA CCN(CC)c1ncccc1CNc1cncc(C(=O)N2CCCC2)n1 67696552 OZMOYJYRHYVASM-UHFFFAOYSA-N 354.458 2.566 0 50 FFAA O=C(c1cccs1)N1CCC(Cn2cc(-c3ccccn3)nn2)CC1 20201810 HJCFGOPSXRJUCK-UHFFFAOYSA-N 353.451 2.954 0 50 FFAA O=C(CCN1CCC[C@@H]1Cn1cccn1)Nc1nc2ccccc2s1 65372083 KKDOPTDMNJSPBJ-CQSZACIVSA-N 355.467 2.986 0 50 FFAA CCOc1ccccc1CN1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 12306923 IPRYPIDFJKEZSL-NHCUHLMSSA-N 369.509 2.590 0 50 FFAA Cc1cccn2c(=O)c(CN(C)Cc3nc(C4CC4)no3)c(Cl)nc12 67604624 RZHHLKZAIJCNJM-UHFFFAOYSA-N 359.817 2.549 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CNCCc3ccccc3C)C2=O)c1 67908126 RXVMGPPLKZJNKD-QHCPKHFHSA-N 366.505 2.989 0 50 FFAA CCn1cc(SCC(=O)N2CCC3(CC2)CNC(=O)C3)c2ccccc21 65405451 WNHKIOWIRFYAJY-UHFFFAOYSA-N 371.506 2.882 0 50 FFAA Cc1cccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1 67800046 IWOBBDTUBYBPCZ-UHFFFAOYSA-N 371.280 2.501 0 50 FFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CNC[C@H]1COc2ccccc2O1 252444542 ZSXGNGNMCAKDJZ-ZSYWTGECSA-N 373.493 2.786 0 50 FFAA CC(=O)N(C[C@H]1CCCN1C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 252482952 DRBMWJGUDAXDQG-GHTZIAJQSA-N 369.509 2.624 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1 1176547 LBKXNUKNFWIIIQ-UHFFFAOYSA-N 352.843 2.908 0 50 FFAA Cc1cnn(CCc2nnc(S)n2-c2cnn(Cc3ccccc3)c2)c1 2808764 XCCUSGACTZXOTD-UHFFFAOYSA-N 365.466 2.548 0 50 FFAA Clc1ccccc1C1(c2ccnc(N3CCOCC3)n2)CCNCC1 72427810 BLLQHFHMXLRPSQ-UHFFFAOYSA-N 358.873 2.636 0 50 FFAA O=C(CN[C@@H]1CCCc2ccc(O)cc21)N[C@@H]1CCOc2ccccc21 253416023 MHXCJNOHSHSJDC-RTBURBONSA-N 352.434 2.999 0 50 FFAA Cn1ccnc1CN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72157821 WDZAQSXKBJZMJP-MISYRCLQSA-N 358.436 2.761 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@H]2CCS(=O)(=O)C2)cn1 71748431 KUKDNYSLPXZXPK-OAHLLOKOSA-N 368.462 2.750 0 50 FFAA CCn1c(O)nc2cc(C(=O)N3CC[C@@H](C)C4(CCC4)C3)ccc2c1=O 329099850 DIQJOEMKQXNCQU-CYBMUJFWSA-N 355.438 2.774 0 50 FFAA O=C(CCO)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 71749459 YFFHENBLWLNQOW-UHFFFAOYSA-N 361.445 2.857 0 50 FFAA O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc2ccccc2c1O 155595828 HNQPRRLGEJAMCY-AWEZNQCLSA-N 366.339 2.829 0 50 FFAA Cc1cccc(N2CCN(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)c1 156150996 ZATJTETUKVYEOO-LJQANCHMSA-N 369.469 2.725 0 50 FFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(Cl)c2)c1 71416391 KJWDZYZJYBDJTH-UHFFFAOYSA-N 369.826 2.630 0 50 FFAA Cc1c(C(=O)N2CCC(OCc3ccccc3)CC2)cnc2ccnn12 77301676 GZZYBOIIHBYOJW-UHFFFAOYSA-N 350.422 2.859 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cccc1Cl 77556375 KLUOZZSKLJBWIU-CQSZACIVSA-N 358.891 2.718 0 50 FFAA COc1ccc(CCCC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)cc1 77287966 JGKVZMVDYYOVDX-QGZVFWFLSA-N 369.465 2.873 0 50 FFAA CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3ccc(C)n3)cc2)(C(=O)O)C1(C)C 262837738 SVOFYEKXNSZSPW-OXQOHEQNSA-N 371.437 2.569 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(C(=O)O)o1 236825203 VRDSQEYBNQQJHJ-INIZCTEOSA-N 354.362 2.558 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)n1 171827677 PLVHLPGYVQEBSC-UHFFFAOYSA-N 363.820 2.841 0 50 FFAA CCn1c(-c2cnc(C3CCCC3)s2)nc2c1c(=O)[nH]c(=O)n2CC 128439490 UJUVYHAPNDZRNJ-UHFFFAOYSA-N 359.455 2.707 0 50 FFAA C[C@@H]1CN(CCCCNCc2c(Cl)nc3ccccn23)C[C@@H](C)O1 237402960 NAYRYFUOPYNRMS-HUUCEWRRSA-N 350.894 2.967 0 50 FFAA O=C([C@H]1COc2ccccc2C1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48179333 DWTATMQDWOVQDJ-GOSISDBHSA-N 366.465 2.645 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)C[C@@H]1CCc3ccccc31)C2 72429845 QJFVVUCIJHABRG-INIZCTEOSA-N 367.449 2.753 0 50 FFAA CCn1cccc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1=O 333942284 PTIUBOZUJQAPKY-MRXNPFEDSA-N 352.438 2.537 0 50 FFAA O=C(CCCn1cncn1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 223910977 UISACIXYQPNIHH-INIZCTEOSA-N 366.425 2.515 0 50 FFAA COc1ccccc1OCc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)o1 453041321 UGIMLTWHZZUQOA-GOEBONIOSA-N 356.422 2.643 0 50 FFAA CCc1c(C)nn(CC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)c1C 223549810 XAJLDDJPTRATHU-UHFFFAOYSA-N 369.391 2.538 0 50 FFAA CC(C)[C@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(C2CC2)no1 285215812 DXPFYLRPRWZRFK-HNNXBMFYSA-N 369.425 2.818 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCc3nnc4n3CCCCC4)nc2c1 222277985 ULXNZDKEVHIYDR-UHFFFAOYSA-N 370.482 2.598 0 50 FFAA CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cc(C)cc(F)c2)C1 175236862 VLTWNARLJYZHLV-CABCVRRESA-N 370.490 2.840 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2nc3ccccc3n2C)cc1OCCCN 426361654 GJEBGTXYQMUZBG-UHFFFAOYSA-N 366.465 2.882 0 50 FFAA CCCN1CCCn2nc(CNc3nccc(C(F)(F)F)n3)cc2C1 82098648 MQIYSEKIPFFXAY-UHFFFAOYSA-N 354.380 2.920 0 50 FFAA Cc1cc(C(F)(F)F)cc(N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)n1 230194899 NITWHFSPHBJYLG-QGZVFWFLSA-N 370.419 2.542 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCC[C@@](CCCOC)(C(=O)O)C1 92098673 ANHAPRILPFTGMK-KRWDZBQOSA-N 357.882 2.729 0 50 FFAA Cc1nc2c(NC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cccn2n1 97805651 RPIXEVCLRNHGHN-MRXNPFEDSA-N 366.425 2.646 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)C1 178259152 LVXLBESCMHUHGJ-LBPRGKRZSA-N 370.243 2.931 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)N1CC[C@H](N2CCCCC2)C1 426358311 MDAUSJBMHJBEAJ-SFHVURJKSA-N 371.460 2.986 0 50 FFAA Cc1ccc([C@@H](C(=O)O)N2CCC(CCN3CCCC3=O)CC2)c(F)c1 95383849 DMXYWGPHVHYWPV-IBGZPJMESA-N 362.445 2.984 0 50 FFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 95387804 RRMHSHLCHRLIQH-AWEZNQCLSA-N 370.371 2.603 0 50 FFAA O=C1CCC2(CCN(C[C@@H]3CCCCO3)CC2)CN1Cc1ccccn1 91468869 XHFRZPSRIVZSPM-IBGZPJMESA-N 357.498 2.855 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)cc(C)n1 95388733 YUPJUXUSPGDHMJ-QGZVFWFLSA-N 355.486 2.928 0 50 FFAA CC(C)Cc1nc(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)no1 92046197 PBGCLBPAMYBMTH-FQEVSTJZSA-N 360.502 2.883 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C 92019497 DMINLDUCXQIXDK-UHFFFAOYSA-N 372.509 2.839 0 50 FFAA COCCCN(Cc1ccc(C)cc1)C(=O)c1cnc(N(C)C)nc1C 95390958 CKEMQOYKELGWLW-UHFFFAOYSA-N 356.470 2.838 0 50 FFAA CCNC(=O)N1CCC(NC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)CC1 91305025 ISFMQGUOMPXXFJ-UHFFFAOYSA-N 370.497 2.946 0 50 FFAA O=C(CCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)NC1CCCC1 95507410 WLHMKRZHGRSHRT-UHFFFAOYSA-N 366.465 2.800 0 50 FFAA CC[C@H]1CCC[C@H]1NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1 162588039 ICJGQTDJONMMIN-SWLSCSKDSA-N 360.483 2.937 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N(C/C=C/c1ccccc1)CCO 97468272 LAIBPCWUCDXPKB-RMKNXTFCSA-N 374.444 2.995 0 50 FFAA COCCc1noc([C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91326717 POSHATMKSKSGKX-AWEZNQCLSA-N 363.845 2.861 0 50 FFAA COc1ccc(CC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)cc1OC 95373039 QYKJIVCKZCYZIS-IBGZPJMESA-N 369.461 2.830 0 50 FFAA CCc1ccc(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)cc1 244724048 MMMNEXJVVMCCJL-GOSISDBHSA-N 357.498 2.912 0 50 FFAA CS(=O)(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2F)c(F)c1 606241661 RIRGECISYIIKIA-UHFFFAOYSA-N 362.375 2.564 0 50 FFAA Cc1cc(O)c2cccc(C(=O)N3CCCC[C@H]3CN3CCOCC3)c2n1 253537109 XTCQEKMRTQVNAY-INIZCTEOSA-N 369.465 2.576 0 50 FFAA CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 183679764 STDMMVMKKPNGEQ-UHFFFAOYSA-N 353.357 2.832 0 50 FFAA COc1ccc([C@@H]2Cn3cnc(C(=O)NCCCOC(C)C)c3CO2)cc1 263617046 LVLJNLUZAASAOU-SFHVURJKSA-N 373.453 2.708 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CCN(C)C(=O)[C@H]3C)c2)nc(C)c1C 299797336 NJFCVCQMRULTCB-MRXNPFEDSA-N 351.450 2.977 0 50 FFAA CCCC[C@@H](NC(=O)Cc1ccc(-n2nnnc2C)cc1)c1cccnc1 822830925 RLDLSVDEPHCYEW-LJQANCHMSA-N 364.453 2.956 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)NCc3nncn3C(C)C)C2)c1 670452545 ROPDIPISEONSPO-AWEZNQCLSA-N 373.457 2.575 0 50 FFAA CCOc1ccccc1N1CCN([C@H]2CCC(=O)N(CC3CC3)CC2)CC1 952974762 KFTCPOUEIOXCNM-IBGZPJMESA-N 371.525 2.998 0 50 FFAA Cc1noc(C)c1CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952982108 JURGHZHVYSOLHB-UHFFFAOYSA-N 355.398 2.655 0 50 FFAA Cc1cc(C)n(CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)c(=O)n1 952976096 UYZRSLPYMDIHOT-UHFFFAOYSA-N 367.375 2.660 0 50 FFAA Cc1n[nH]c(C)c1CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 271050296 VMKXZOGAUWMWDA-UHFFFAOYSA-N 364.396 2.586 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)CCO1 275563500 NZZNMFMWLOLCSA-BBRMVZONSA-N 363.845 2.855 0 50 FFAA O=C(Cc1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 220271181 YKWLTWNFKQXZND-WBVHZDCISA-N 362.420 2.757 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)Nc1c2c(nn1C)CSC2 1529113054 BEPXZHXYBFNURL-UHFFFAOYSA-N 352.423 2.580 0 50 FFAA Cc1nn(C)c(C)c1CN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529199029 TZAHRLHPVBNGPA-DYESRHJHSA-N 350.466 2.621 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)c2c(C)noc2n1 1775977877 KLMSTQFCXNGVRZ-IBGZPJMESA-N 351.410 2.683 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)o1 1775982982 FUONPKSCCFWSBW-SFHVURJKSA-N 370.482 2.762 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccccn1 11821330 MLAXWTSZLCMSEV-MRXNPFEDSA-N 369.490 2.509 0 50 FFAA CS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 11838365 HELIDEFPWPYMAD-MRXNPFEDSA-N 372.490 2.755 0 50 FFAA COc1cccc(CN2CCC[C@H](NC(=O)c3cnn(C(C)C)c3)C2)c1 12076243 SCHVTZTXEKRWKE-SFHVURJKSA-N 356.470 2.867 0 50 FFAA c1ccc(COC2CCN(Cc3nc(-c4ccccn4)no3)CC2)nc1 12298242 TZOYBPKWGMPWHY-UHFFFAOYSA-N 351.410 2.708 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 14978449 VWFIARUSONOXPC-BETUJISGSA-N 360.483 2.644 0 50 FFAA O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1ccc(F)c(Cl)c1 169760053 CIFPCXORCGOSSR-UHFFFAOYSA-N 374.803 2.806 0 50 FFAA CCOCCC(=O)N1CCC[C@@]2(CN(CC3CCCCC3)CC[C@H]2O)C1 1857690689 OSXYEOBMVPPWCZ-TZIWHRDSSA-N 366.546 2.669 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C(=O)C3CCC3)C[C@]23CC[C@H]1O3)C1CCCCCC1 1857734347 PUDOFHXOQYGWMO-JZJXAQOMSA-N 374.525 2.879 0 50 FFAA C[C@@H](C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 333964951 PMVGCLDXWGSDKQ-IAQYHMDHSA-N 361.916 2.932 0 50 FFAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(OCCCN)CC1 237751673 GCLVAUPORVGMMP-UHFFFAOYSA-N 355.482 2.751 0 50 FFAA O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2ccncn2)C1 12027856 LBIFKHFNTAYKRB-OAHLLOKOSA-N 354.435 2.593 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1ccncc1 247803314 HGOMMRXZVMZBNW-QUCCMNQESA-N 363.461 2.777 0 50 FFAA CCn1ccnc1CN(C(=O)Cc1ccccc1F)[C@@H]1CC12CCNCC2 261835626 LEFBTAOHNJXGGL-GOSISDBHSA-N 370.472 2.756 0 50 FFAA C[C@]1(C(=O)N2CCCc3c(OC(F)F)cccc32)CCCS1(=O)=O 905825511 RNCRHDQGYSWONX-MRXNPFEDSA-N 359.394 2.535 0 50 FFAA COCC(=O)NCCCN[C@@H](C)c1cc(Cl)ccc1OC(F)F 1875292108 WROXNGTXDRKXAN-JTQLQIEISA-N 350.793 2.745 0 50 FFAA C[C@@H](CC(=O)N1CCN(c2nc3cnccc3n2C)CC1)c1ccccc1 1875269046 UQLCIXLMPNOBKZ-INIZCTEOSA-N 363.465 2.811 0 50 FFAA CN(C)[C@@H](C(=O)Nc1ccc(Oc2cccnn2)cc1)c1cscn1 1875321211 YTOOWXUSGCZJCQ-MRXNPFEDSA-N 355.423 2.967 0 50 FFAA CC(=O)N1CCC2(CCc3ccc(OC[C@@H]4C[N@]4CC4CC4)cc3O2)CC1 1875385037 LKBVPCVMLYEBCZ-CYFREDJKSA-N 370.493 2.866 0 50 FFAA CCCc1nc(CN2CC[C@@H](Oc3ccnc(CNC(C)=O)c3)C2)cs1 886071890 GZLVOVRUDOXNRW-GOSISDBHSA-N 374.510 2.780 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888094760 BMRYYNCZVYESRP-CRFBAAHOSA-N 356.422 2.551 0 50 FFAA O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)C1CC2(C1)CC(c1nn[nH]n1)C2 2325807718 OECZVODZUCIHKJ-UNQVCFILSA-N 369.391 2.734 0 50 FFAA Brc1csc2ncnc(Sc3nnc(C4CNC4)o3)c12 2325809895 YEVIZNZTZMMVNH-UHFFFAOYSA-N 370.257 2.675 0 50 FFAA O=C(O)CN(C(=O)c1cc(Br)c2n[nH]cc2c1)C1CCCC1 2325851782 JGPYZRJLTWTELB-UHFFFAOYSA-N 366.215 2.795 0 50 FFAA N[C@]1(c2ccccc2)CCN(C(=O)N=c2cc(-c3cccc(F)c3)o[nH]2)C1 2325859924 PXKUJZKZRGIIMU-HXUWFJFHSA-N 366.396 2.994 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC(F)(F)[C@@]3(CCOC3)C2)c1 2325885787 VJAOSZPSQDAORU-KRWDZBQOSA-N 350.365 2.699 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 1175027 NYWDQKGMBYDCFL-UHFFFAOYSA-N 352.843 2.908 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cc3ccc(C)cc3nc2O)CC[C@@H]1O 2356140288 CMJZWEWPZOXTBL-FXAWDEMLSA-N 358.438 2.687 0 50 FFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](O)c3cc(F)ccc32)C1 222259202 OWXJDGDFRHIMKO-IIYDPXPESA-N 356.463 2.682 0 50 FFAA COc1ccccc1CNC(=O)c1c(O)c2cccc3c2n(c1=O)[C@@H](C)C3 170624696 CUSZYVLZUUIPEX-LBPRGKRZSA-N 364.401 2.763 0 50 FFAA CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 67339100 KEVVSFIBBCTSFB-UHFFFAOYSA-N 352.843 2.833 0 50 FFAA CCc1ccc(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 67868270 ZEBOUXLPLOUNSD-QGZVFWFLSA-N 363.465 2.898 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)CCc1[nH]nc2c1CCCC2 65419379 AXCMFBKQQYGNTP-UHFFFAOYSA-N 357.458 2.920 0 50 FFAA Cc1ccc(-c2cnn(CC(=O)Nc3cc(-c4ccccc4)nn3C)c2)nn1 63856739 OXUKKKDVHCWFLJ-UHFFFAOYSA-N 373.420 2.688 0 50 FFAA CCN(C[C@H]1CCN(C)C1)C(=O)c1coc(COc2ccccc2F)n1 67673631 WKAIWZXAFNOTEJ-AWEZNQCLSA-N 361.417 2.807 0 50 FFAA COc1cccc2c1OCCCN(C(=O)c1cc(C(C)C)nc(N)n1)C2 67886629 CJAHLLLZYZMKQX-UHFFFAOYSA-N 356.426 2.616 0 50 FFAA CCOc1ccc(CNC(=O)c2cnn(CC(F)(F)F)c2)cc1OC 252571022 XOQVAVHCMWYVAT-UHFFFAOYSA-N 357.332 2.783 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)NCc1csc(N2CCOCC2)n1 219270478 PSKOXMVHZMNTEQ-UHFFFAOYSA-N 370.478 2.710 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)N2CCC(c3ccnn3C)CC2)c1 152155858 HRFNQCMGTDKHAP-UHFFFAOYSA-N 369.469 2.890 0 50 FFAA CN1CC2(CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)CC2)OC1=O 77301537 SLJMUDIZJJVHKZ-UHFFFAOYSA-N 374.828 2.583 0 50 FFAA CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](O)c4ccccc4C3)ccc21 374818702 LMIOWNBXYFHASA-HXUWFJFHSA-N 350.418 2.675 0 50 FFAA CSCCCN1C[C@H]2CN(Cc3cccc4[nH]ccc34)C[C@@]2(C(=O)O)C1 216379530 ZUVMDYKLVBBMFZ-JXFKEZNVSA-N 373.522 2.739 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)c1cc(C2CC(N)C2)nc(N)n1 219342318 POOWYZHWHHFFRG-UHFFFAOYSA-N 351.376 2.919 0 50 FFAA CC(C)c1nc(CN(C)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)cs1 77518179 AFJBJGGPBOWOJP-UHFFFAOYSA-N 372.450 2.595 0 50 FFAA CCOc1ccc2oc(C)c(C(=O)N3CCc4c(nc(C)[nH]c4=O)C3)c2c1 71750218 ZNBAPWYINKZKME-UHFFFAOYSA-N 367.405 2.730 0 50 FFAA Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCC[C@H](C(=O)O)C1 128510631 KAPFZQFGXWMJLW-AWEZNQCLSA-N 361.829 2.830 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 72479041 UIXAFWZSTJHJAV-UHFFFAOYSA-N 365.437 2.696 0 50 FFAA C[C@@H](C1CCN(Cc2ccccc2Cn2cccn2)CC1)N1CCOCC1 72478900 AEURASMOHLUJOK-IBGZPJMESA-N 368.525 2.864 0 50 FFAA CCCS(=O)(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72133905 LFFWCJWCLRXTST-RCCFBDPRSA-N 370.465 2.567 0 50 FFAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3[nH]nc4c3CN(C)CC4)[nH]c2c1 72433708 RMHKTVQZEPOMSF-QGZVFWFLSA-N 364.453 2.560 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)C[C@H]2CCCCO2)cc1 240900773 ITTXUFQABSPMCG-OTWHNJEPSA-N 367.511 2.951 0 50 FFAA COc1ccc(C[C@H](N)C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cc1 221409945 SOMFNTAEHCFZMB-IBGZPJMESA-N 364.449 2.614 0 50 FFAA COc1ccccc1-c1nc(CN2CC[C@@H](N3CCOCC3)C2)cs1 173986433 JNCGHKKYMTZWFV-MRXNPFEDSA-N 359.495 2.725 0 50 FFAA Cn1c(=O)n(C)c2cc(CNC(=O)N(Cc3ccsc3)C3CC3)ccc21 426489934 ANHKDAQUXZGHJR-UHFFFAOYSA-N 370.478 2.813 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccnc1SCCc1ccccc1 223897142 NCDBKQOGHOQSKH-QZTJIDSGSA-N 372.490 2.950 0 50 FFAA Cn1cnnc1CC1CCN(Cc2cccc(Cn3cccn3)c2)CC1 82126503 OWABZJPYEGGESE-UHFFFAOYSA-N 350.470 2.515 0 50 FFAA CC(C)CN1C(=O)[C@H]2[C@@H](c3ccncc3)N(c3ccccc3)O[C@H]2C1=O 229985121 XBUSUPPPKXYREC-RCCFBDPRSA-N 351.406 2.584 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)c1cnc(CN2CCCC2)s1 97610165 QSICAXYVRKHDFV-UHFFFAOYSA-N 357.439 2.547 0 50 FFAA C[C@H](NC(=O)N1CCCN(C)C2(CCNCC2)C1)c1ccccc1Cl 426412144 DOGWLSIFIMRJCF-HNNXBMFYSA-N 364.921 2.870 0 50 FFAA O=C(C[C@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91365056 DMKGMZAUAIZYFB-NRFANRHFSA-N 364.489 2.974 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCCN(Cc2ccncc2)CC1 91860683 QYOCQWBUGBMTNM-UHFFFAOYSA-N 369.513 2.845 0 50 FFAA O=C(NCc1cc(-c2cccc(F)c2)no1)[C@@H]1CC(=O)N(C2CCCC2)C1 92066220 DLTZOVQUFWUTHQ-CQSZACIVSA-N 371.412 2.888 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)N1CCN(Cc2cc(F)cc(F)c2)CC1 97635056 UXAIIYWNKQZOIT-UHFFFAOYSA-N 360.408 2.832 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3ccccc23)on1 96139456 ACSCUOFCQLFCLT-KUHUBIRLSA-N 353.422 2.689 0 50 FFAA Cc1cc2c(cc1NC(=O)N1CCC[C@H](c3ccncn3)C1)OCCO2 96152605 NVZIRIZESNGSBN-AWEZNQCLSA-N 354.410 2.968 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)cs1 97679980 KUELIAVBFYXXLL-LJQANCHMSA-N 369.486 2.971 0 50 FFAA CC(C)C[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ncnn1C 96130323 VOHTZPDXUDFNMQ-OAHLLOKOSA-N 372.429 2.681 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N(C)Cc1cc(C2CC2)[nH]n1 243892381 AHGQFJNVUVQRTR-UHFFFAOYSA-N 365.437 2.830 0 50 FFAA O=C(c1ccco1)N1CCCN(C[C@H]2CC(c3ccccc3)=NO2)CC1 244701288 KDIMPCVFPRGAJA-QGZVFWFLSA-N 353.422 2.621 0 50 FFAA O=C(NCC1CCS(=O)(=O)CC1)[C@H]1CCCc2c1[nH]c1ccccc21 244764126 PBUZEBHWOMHNHQ-INIZCTEOSA-N 360.479 2.529 0 50 FFAA CCc1cc(-c2cccc(C(=O)N3CCOCC3)c2)nc(N2CCCC2)n1 244774079 PNKIVCPBEMORTQ-UHFFFAOYSA-N 366.465 2.779 0 50 FFAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(SC)[C@H]5[C@H]4[C@H]1[C@H]1CC[C@H]([C@@H]15)[C@]32O 247854221 SQCIWXCDMLADBM-ANIYDELFSA-N 372.530 2.816 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2ccnn2-c2ccccc2)CC1 369615829 NDBMABREALZDMF-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)NC1CCN(c2cnccn2)CC1 299782557 XWPWHQQNYCUJTH-UHFFFAOYSA-N 360.845 2.602 0 50 FFAA Cc1cc(O)nc(S[C@H](C)C(=O)NC2CCN(c3ccccc3)CC2)n1 299797972 UASVAHAJJDNOMZ-CQSZACIVSA-N 372.494 2.756 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cncs1)CC2 299761936 ZLSKWRMSCRSFON-DHSIGJKJSA-N 359.451 2.769 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)NCc1ccc(Cl)cc1)C2 1073341024 PNEVOUHYWRJNKS-RDJZCZTQSA-N 351.878 2.592 0 50 FFAA Cc1nnc(N2CCN(C(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)s1 1336645920 FMBDXJQESFMQKI-CVEARBPZSA-N 360.458 2.828 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 952982649 ZURALFJIBMLVEF-AWEZNQCLSA-N 374.466 2.811 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@@H]2NC(C)=O)cc1 1565507125 XPWVRZIAMYBQPR-QUCCMNQESA-N 370.424 2.887 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C12CCOCC2 170597958 WJPGCNSWGBHSCZ-GBESFXJTSA-N 359.466 2.697 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN[C@H](c2ccccc2)C1 1239092840 BRTCOQZQLXXFGI-KRWDZBQOSA-N 360.479 2.647 0 50 FFAA COc1cccc(F)c1C(=O)N1CCCN(Cc2c(C)noc2C)CC1 1529099674 DRCCKMBLFOAREW-UHFFFAOYSA-N 361.417 2.787 0 50 FFAA COc1c(C)cc([C@@H](C(=O)O)N2CCN(CC(F)(F)F)CC2)cc1C 1529142882 UUCMBGOZLWQWFV-AWEZNQCLSA-N 360.376 2.618 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(c3noc(C(C)C)n3)CC[C@@H]21 216961242 GOBMTNOHURXURD-KGLIPLIRSA-N 352.504 2.763 0 50 FFAA Cc1cc(C)c(C(=O)N2CC[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)o1 11665295 FNPRKONOIAHRLY-NRFANRHFSA-N 367.449 2.946 0 50 FFAA O=C(Nc1ccnn1C1CCN(Cc2ccncc2)CC1)c1cccnc1 11817754 YDLLLVJTDJZHJK-UHFFFAOYSA-N 362.437 2.763 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C/C=C/c3ccco3)CC2)C1 14965854 QJBDIZMIZXLDLC-WAUBUAMCSA-N 357.498 2.748 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N1CCN(c2ccc(Cl)cn2)CC1 19782136 QXNRKRJDLVGOBT-UHFFFAOYSA-N 374.876 2.794 0 50 FFAA C/C=C(\C)CN1C[C@@H](C(=O)O)C2(CCN(Cc3ccnc(CC)n3)CC2)C1 1857682513 LUWXEWPBUPJSOZ-XPLYLKDSSA-N 372.513 2.604 0 50 FFAA Cc1cccc(CC(=O)N[C@H]2CC[C@@H](NC(=O)CCc3cccnc3)C2)c1 1857703159 WSTQSOPPLHEEII-UXHICEINSA-N 365.477 2.719 0 50 FFAA CN1C(=O)CCO[C@H]2CN(C(=O)Nc3ccccc3-c3ccccc3)C[C@@H]21 1857711422 YSRDWCPNPMBEOI-OALUTQOASA-N 365.433 2.817 0 50 FFAA CCOc1ccc(Cl)cc1CCNC(=O)N[C@@H]1CCc2[nH]ncc2C1 128112749 MQJVBFQNJZOVQE-OAHLLOKOSA-N 362.861 2.861 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn(C3CCNCC3)nn2)[C@H]1c1cccc(F)c1 237532094 TXZQVJUJCDOSKW-FZKQIMNGSA-N 357.433 2.565 0 50 FFAA Cc1ccc(CN2CCC[C@@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)cc1 12028468 JROHLRBYEITVSH-LJQANCHMSA-N 367.497 2.735 0 50 FFAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[C@H](N)C1 150797823 QJRCFHHIEAUGDY-QWRGUYRKSA-N 358.269 2.908 0 50 FFAA C[C@@]1(c2noc(C[C@@H]3NC(=O)c4ccccc43)n2)COc2ccccc2O1 906142007 PIHJKHNZLINSHP-XOBRGWDASA-N 363.373 2.783 0 50 FFAA O=C1OC[C@@H](COC(=O)c2cc3cncc(Br)c3s2)O1 1875295548 JKOVASSLVQMZEX-SSDOTTSWSA-N 358.169 2.751 0 50 FFAA Cc1ccc2c(c1)[C@@H](NC(=O)CCCn1cnc3c(N)ncnc31)[C@@H](C)C2 1875278259 MDZFONOMOKTTRP-GUYCJALGSA-N 364.453 2.547 0 50 FFAA C[C@@H](O)[C@H](N)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1875392328 VWIDEPSMIDAOHY-YFROIQMUSA-N 371.868 2.778 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 1875365812 BELLPTPLVUWOQW-QGZVFWFLSA-N 362.420 2.923 0 50 FFAA CO[C@H](C(=O)N[C@@](C)(CC(=O)O)c1cccnc1)c1ccccc1Cl 1875315716 FEAZMDCVDKMNOI-WMZOPIPTSA-N 362.813 2.929 0 50 FFAA C[C@H]1C[C@H](CO)N1C(=O)N=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)s1 1875301663 ORQMEHBUAVYELN-GZMMTYOYSA-N 372.372 2.633 0 50 FFAA O=C(CCc1nc(-c2ccncc2)no1)Nc1noc2ccc(F)cc12 2100542904 JSOUYKAFOCMVMM-UHFFFAOYSA-N 353.313 2.983 0 50 FFAA O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCN([C@@H]2CCOC2)CC1 2325784865 PSAONTCXOJWGSC-GFCCVEGCSA-N 351.809 2.507 0 50 FFAA CO[C@H](C)[C@@H](CO)NCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 2325788479 IURHYBPCSWEEIE-IUODEOHRSA-N 370.515 2.527 0 50 FFAA CCC1(C(=O)N[C@H]2CC[C@@H](N(C)C(=O)c3ncccc3O)CC2)CCC1 2325821112 DVYFMJPDLOOXPC-GASCZTMLSA-N 359.470 2.867 0 50 FFAA CN(CCNC(=O)c1ccc(-c2ncon2)cc1)Cc1cccc(F)c1 2325867477 XCPSGTXSPYGWBE-UHFFFAOYSA-N 354.385 2.738 0 50 FFAA COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)[C@H](O)C(C)(C)O)c1 907324695 TVUSDSOUUNOFAX-AQNXPRMDSA-N 369.461 2.884 0 50 FFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1Cl 657216 INMOAYLOWZZRMG-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)ccc3C)cc2C1=O 1120434 AOISTMVNOWYWOQ-UHFFFAOYSA-N 352.346 2.561 0 50 FFAA Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 1317773 WCMCMAMJWUQJSI-GOSISDBHSA-N 369.446 2.821 0 50 FFAA CCOC(=O)C(=Cc1cc(Br)c(O)c(OC)c1)C(=O)OCC 2776515 FKCLOFPHUALOIO-UHFFFAOYSA-N 373.199 2.673 0 50 FFAA O=C(COC[C@@H]1CCOC1)Nc1ncc(Cc2ccccc2F)s1 117614109 IXVDPKAAFAKQGS-GFCCVEGCSA-N 350.415 2.865 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101463899 ZDEHPXBDYSHUEV-IYVPYFHTSA-N 358.825 2.784 0 50 FFAA CC(C)=CCN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO 104415675 RXOLWAYPEDWKBX-OAQYLSRUSA-N 372.488 2.846 0 50 FFAA COC(=O)C[C@@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O 55225379 UMTNULCGSVHDJY-ZDUSSCGKSA-N 361.423 2.519 0 50 FFAA O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1c(F)cccc1F 112337731 HZHILQARDANYOO-INIZCTEOSA-N 358.392 2.921 0 50 FFAA CC(=O)Oc1ccc(/C=C2/N[C@@H](c3ccccc3)OC2=O)cc1OC(C)=O 25691520 UZONXTCKKGCSPR-OUQXZNHLSA-N 367.357 2.723 0 50 FFAA Cn1c(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc2ccccc21 20745236 ALAAJZBEIOCMFR-UHFFFAOYSA-N 353.447 2.838 0 50 FFAA Cc1c(C(=O)Nc2c(F)cccc2F)cccc1N(C)S(C)(=O)=O 67602216 QUYDRFJLQZNDLE-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cccn3Cc3cccnc3)C2)cc(=O)[nH]1 23429313 GMWXOTSWYVRHDV-SFHVURJKSA-N 363.465 2.703 0 50 FFAA COc1ccccc1N1CC[C@H](N(C)Cc2ccc([S@](C)=O)cc2)C1=O 247532062 ZZFJWLKHTDWXFK-QYBDOPJKSA-N 372.490 2.670 0 50 FFAA CS(=O)(=O)c1ccc(-c2noc(Cc3ccc4c[nH]nc4c3)n2)cc1 349977062 XTZRLEGULXZYJA-UHFFFAOYSA-N 354.391 2.607 0 50 FFAA CCCn1ncc(-c2ccnc(NC[C@@H]3CCCN(C(C)=O)C3)n2)c1C 63856506 XSPWLPQHESPFDK-INIZCTEOSA-N 356.474 2.729 0 50 FFAA CC(C)N(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 64015322 GDUMPPMIYCKMNR-UHFFFAOYSA-N 360.433 2.616 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@H]1CCOC1 67934681 ICVUBXYSQNHWKS-AWEZNQCLSA-N 366.396 2.931 0 50 FFAA CC(C)(C)OC(=O)N[C@H](CO)CCCCNC(=O)OCc1ccccc1 32098784 MLAPMZGXJGUYNO-INIZCTEOSA-N 366.458 2.969 0 50 FFAA Cc1ccc(=O)n(CC(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)n1 71589448 COCFIIHWVPENRV-QGZVFWFLSA-N 357.429 2.562 0 50 FFAA CO[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 230219361 NSPGMTOIQNDSOV-GRYCIOLGSA-N 366.512 2.930 0 50 FFAA O=C1CN(c2cc(-c3ccccc3)nc3ccnn23)CCN1C1CCCC1 72127424 NWHQRKWFYPJEPH-UHFFFAOYSA-N 361.449 2.988 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72148557 HQLGKKIUEVPWKQ-INIZCTEOSA-N 360.841 2.738 0 50 FFAA COc1ccc(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)cc1 6490683 GYVYVKJZPBUAMQ-UHFFFAOYSA-N 371.418 2.915 0 50 FFAA CN(C)c1ncc(-c2nccn2Cc2nn(C)c3cccc(Cl)c23)cn1 77438466 FXHXYDCIKHSQQA-UHFFFAOYSA-N 367.844 2.995 0 50 FFAA CCCc1noc(-c2cccc(CNC(=O)COCC(F)(F)F)c2)n1 363325684 JBKIZXGAPCSTIS-UHFFFAOYSA-N 357.332 2.884 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)o3)C[C@H]2CCO)cc(OC)c1 39461478 IINVQBISJCKUFA-GOSISDBHSA-N 374.481 2.674 0 50 FFAA C[C@@]1(CNC(=O)c2cc(C(N)=O)cs2)CCCN1Cc1ccccc1 154828398 QPVHOWCIHBJAFB-IBGZPJMESA-N 357.479 2.632 0 50 FFAA Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCCC[C@H]1CN 131038256 TWTNYQLJNWTPPK-INIZCTEOSA-N 357.502 2.901 0 50 FFAA COC(=O)c1cc2c(=O)n(Cc3ccc(OC)c(OC)c3)ccc2nc1C 36369917 VGGYCCBDGLYMHM-UHFFFAOYSA-N 368.389 2.557 0 50 FFAA biogenic O=C(c1ccc2nc(O)[nH]c2c1)N1CCN[C@@H](c2ccccc2Cl)C1 374874916 KQQJWHIQOAIQCE-MRXNPFEDSA-N 356.813 2.709 0 50 FFAA Cc1ccc2cc(CN3CCC(Cc4noc(C)n4)CC3)c(=O)[nH]c2c1 215303661 CIYLOLCNZLLCHI-UHFFFAOYSA-N 352.438 2.983 0 50 FFAA Cc1cc2c(N3CCN(C(=O)N4CCC(C)CC4)CC3)ncnc2s1 443224493 QIXFPCJPUKDQLO-UHFFFAOYSA-N 359.499 2.974 0 50 FFAA CCn1ccnc1CN(C(=O)c1cc(C)oc1C)[C@@H]1CC12CCNCC2 261897961 WFVMJSZUYHQTJY-QGZVFWFLSA-N 356.470 2.897 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCCN1CC1CC1 71749152 YDXDMNWSYRILMQ-MRXNPFEDSA-N 351.878 2.611 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC2(CC1)C(=O)Nc1ccccc12 72133104 XKXPCSOPNNMZBL-UHFFFAOYSA-N 373.416 2.598 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2c[nH]nc2-c2cccnc2)C1 370728940 FSSWVRHJLFEWIA-QGZVFWFLSA-N 353.426 2.868 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 236626346 YNWOZNCOWPQLRG-LJQANCHMSA-N 369.465 2.737 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77540603 DOUKDHWNBHZQPB-CQSZACIVSA-N 354.385 2.800 0 50 FFAA CC[C@@H](CO)N(Cc1ccncc1)C(=O)c1nc2cc(C)ccn2c1F 216107916 HQWUYAFHKISWQY-HNNXBMFYSA-N 356.401 2.590 0 50 FFAA CC(C)c1nnc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)s1 49544237 NQAMOYUVAHNRNZ-UHFFFAOYSA-N 373.413 2.663 0 50 FFAA CC(C)c1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)n(C)n1 241719775 QPLASNBNIJCNAZ-KKSFZXQISA-N 371.481 2.726 0 50 FFAA Cn1cc([C@@H](NC(=O)c2ccc3cccc(Cl)c3n2)C2CC(O)C2)cn1 222884761 MKNRVFOEFNBVOJ-AJUCZRQESA-N 370.840 2.864 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc2sccc2[nH]1 222274184 DQXPDFUVVHLUCL-BXUZGUMPSA-N 363.464 2.790 0 50 FFAA O=C(NCc1csc(N2CCOCC2)n1)c1scc2c1CCCC2 223686385 JBQSTXNQQKHOJO-UHFFFAOYSA-N 363.508 2.850 0 50 FFAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1c(F)cccc1Cl)C2 220042937 RLNIUGYVUSTWEL-SFHVURJKSA-N 366.868 2.677 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2cccc(O)c2)CC1 82120466 SVSNOQITDDLHNZ-UHFFFAOYSA-N 357.406 2.899 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CN2CCOc3ccccc3C2)c1 223678747 QJMLUPJDBLTZOS-QGZVFWFLSA-N 353.466 2.674 0 50 FFAA COC[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(C)o1 288084615 KEDXEOLQHWFVHS-SNVBAGLBSA-N 364.345 2.668 0 50 FFAA CCc1cc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)nc(N(C)C)n1 426722662 QKUDVRPPGNJTHV-IYARVYRRSA-N 368.481 2.805 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCc1c[nH]c2ccccc12 40312939 UZHVYDYZWAORSX-UHFFFAOYSA-N 372.428 2.751 0 50 FFAA biogenic CCOc1cccc(CN(CCO)C(=O)c2c[nH]c(=O)c3ccccc23)c1 97521996 KHZASUPTJGCYLF-UHFFFAOYSA-N 366.417 2.562 0 50 FFAA Cc1[nH]c2c(c1C(=O)N(C)C[C@@H]1Cc3ccccc3CN1C)C(=O)CCC2 77339556 FBRRTLKJZYCXMW-KRWDZBQOSA-N 365.477 2.971 0 50 FFAA CC(C)c1cc(C(=O)NCCCN(C)c2ccccc2)nc2ncnn12 91808679 QDNNCICOYHCMMJ-UHFFFAOYSA-N 352.442 2.504 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)NCc2cc(F)c(F)c(F)c2)no1 426677871 WFEQIYDIQWDRLA-UHFFFAOYSA-N 356.348 2.994 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 97619710 QKUORUNUBGFJPQ-LBPRGKRZSA-N 353.430 2.614 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H](O)c2ccccc2)C1 162924762 XDAANCDUUHVXCV-QAPCUYQASA-N 360.841 2.777 0 50 FFAA CCn1ncnc1[C@H](C)NC1CCN(c2ncnc3ccsc23)CC1 96161398 MFTIRMJKLQIJSL-LBPRGKRZSA-N 357.487 2.622 0 50 FFAA O=C(CSc1ncccn1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95497450 CDIPFCCOFXVFHD-UHFFFAOYSA-N 351.435 2.544 0 50 FFAA CN(C)[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1CCCO 91433937 JTFQIAKDCGVIGW-WBVHZDCISA-N 372.431 2.799 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239433552 XZESUBFBZKJUNK-NBYUQASBSA-N 374.396 2.604 0 50 FFAA CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)n1 91425284 HTIQSLRUSVAZCF-UHFFFAOYSA-N 374.529 2.983 0 50 FFAA Fc1cccnc1O[C@@H]1CCCN(Cc2cnnn2Cc2ccccc2)C1 292890121 YWKVNUILJHPHFS-GOSISDBHSA-N 367.428 2.904 0 50 FFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 237543579 ULZMIHVMFPFTQD-IPMKNSEASA-N 351.402 2.837 0 50 FFAA Cc1cc(NC(=O)N2CCC(n3cnnc3)CC2)ccc1N1CCCC1=O 97823434 KCBHWUZFVNYCHA-UHFFFAOYSA-N 368.441 2.582 0 50 FFAA CNc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)s1 91997689 DMPNNYADYOZESU-JKSUJKDBSA-N 371.510 2.625 0 50 FFAA COc1ccc([C@@H]2CN(c3ncnc4sccc34)C[C@H]2NC(C)=O)cc1 91894445 RMRFZHOBVDNDMN-DLBZAZTESA-N 368.462 2.808 0 50 FFAA COCC(=O)Nc1cc(NC(=O)NCc2cnc(C)cc2C)ccc1OC 96149266 BUAUYXCXBORYGJ-UHFFFAOYSA-N 372.425 2.614 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N(C)CCc1noc(C)n1 95385896 YYESBUUKGNDKKR-OAHLLOKOSA-N 355.442 2.942 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3C)no1 95357024 AIVGVBFNGIWZQG-KRWDZBQOSA-N 367.449 2.858 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3ccccc3-n3cncn3)[nH]n2)s1 91425084 YLQORAKAEYPCRU-UHFFFAOYSA-N 364.434 2.957 0 50 FFAA O=C(CCCOc1ccccc1)N1CCCN(Cc2ccccn2)CC1 244787989 QHKCDCZPUBEHMY-UHFFFAOYSA-N 353.466 2.975 0 50 FFAA Cc1ccnn1-c1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 299053146 SVHCCQYNHKRUAS-CQSZACIVSA-N 366.387 2.795 0 50 FFAA Cc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)cc(O)n1 181018220 ODQAZMOAZVZWAX-UHFFFAOYSA-N 362.433 2.733 0 50 FFAA COc1cc(NC(=O)N(C)C2CCN(Cc3ccccc3)CC2)ncn1 182132302 KSESFTOHBALYHW-UHFFFAOYSA-N 355.442 2.614 0 50 FFAA CC[C@H](NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)O 297418866 YGYAULFUMXBJFV-ZDUSSCGKSA-N 366.849 2.781 0 50 FFAA C[C@H](O)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 184756731 FUIRSEORAMWLNQ-GOEBONIOSA-N 365.905 2.717 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@@H](c1nccn1C)C1CC1 534577291 BQQHWBAHEDVKGF-MRXNPFEDSA-N 356.405 2.728 0 50 FFAA CN1C(=O)COc2ccc(NC(=O)NCCCOC3CCCCC3)cc21 266472824 RVIAYBWJIPGGOK-UHFFFAOYSA-N 361.442 2.903 0 50 FFAA CSCc1noc(CNC(=O)N2CCc3ccc(F)cc3[C@H]2C)n1 534654380 AEQXTDNCCVNSCP-SNVBAGLBSA-N 350.419 2.901 0 50 FFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)NCCc2c[nH]cn2)c1 299801666 ZTZIFWIPPZOTCV-UHFFFAOYSA-N 363.849 2.909 0 50 FFAA CCOC(=O)c1cc(NC(=O)N(C)[C@H](C)CC(=O)NC)ccc1Cl 299787951 UHTDKZSELWGWOE-SNVBAGLBSA-N 355.822 2.505 0 50 FFAA CN(Cc1sc2ccccc2c1Cl)C(=O)CN1CCC[C@@H](O)C1 299795508 MEXADSUTJKDFHY-GFCCVEGCSA-N 352.887 2.970 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)[C@H]2C1 299781499 DQZGWEYQHMOKQY-CMKODMSKSA-N 355.438 2.875 0 50 FFAA CCCOc1ccc(CCNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 584890174 XCHYTSYLVXEAEW-UHFFFAOYSA-N 373.497 2.672 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 952972547 KGHQBOYFNPPGMO-IBGZPJMESA-N 350.422 2.786 0 50 FFAA CCn1ncc(S(=O)(=O)N(C)CCCOc2ccc(Cl)cc2)c1C 952980048 HAYUKXSOPUUSSM-UHFFFAOYSA-N 371.890 2.954 0 50 FFAA CC(C)c1cc(C(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)nc(N)n1 952868165 CFNSJRNQOZPYSK-QGZVFWFLSA-N 367.497 2.824 0 50 FFAA O=C(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc21 744113830 GONQDXGFAQLTMZ-GFCCVEGCSA-N 373.327 2.989 0 50 FFAA O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)NCCC(F)(F)F 170645242 NMGOIEMNSALADX-UHFFFAOYSA-N 364.780 2.956 0 50 FFAA COc1cc2c(N3CCC[C@H](c4ccnc(N)n4)C3)ncnc2cc1F 192754412 SRKZVLIUMZYRTK-NSHDSACASA-N 354.389 2.534 0 50 FFAA O=S(=O)(N1CCC(N[C@@H]2CCCc3occc32)CC1)C(F)(F)F 192949248 IOWMCNHNTLHHBF-GFCCVEGCSA-N 352.378 2.561 0 50 FFAA O=C(O)C[C@H]1CCCN(C(=O)c2sc(N3CCCC3)nc2Cl)C1 769528843 WNYNRKCJKYNRSL-SNVBAGLBSA-N 357.863 2.724 0 50 FFAA Cc1cc(C)cc(N2CCC(N3C[C@@H](O)[C@H](Cc4cnccn4)C3)CC2)c1 1529168836 NMORWSLXGWCMMT-XMSQKQJNSA-N 366.509 2.598 0 50 FFAA O=C(c1sccc1Cl)N1CCCN(CCCn2ccnc2)CC1 1772817684 HNBLVBMLWCPWKW-UHFFFAOYSA-N 352.891 2.836 0 50 FFAA Cc1c[nH]c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1 11664269 ZUTHBRSQUMSZLG-HXUWFJFHSA-N 370.428 2.512 0 50 FFAA CCc1c(C(=O)NCc2cccnc2)c(=O)cc(C)n1Cc1ccc(C)o1 12217346 NSELWFQLEUACFD-UHFFFAOYSA-N 365.433 2.994 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 15068662 WAMOBUAVPPUMTQ-MJGOQNOKSA-N 366.465 2.794 0 50 FFAA CN1CCN([C@@H](c2ccccc2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 19850128 QPHQJYMBSDNNLS-RBBKRZOGSA-N 363.461 2.700 0 50 FFAA C[C@@H](NC(=O)[C@H]1C[C@]12CCOc1ccc(F)cc12)c1nnc2n1CCCC2 1857532294 QYSMCIIFMRZBDP-URFZZILJSA-N 370.428 2.671 0 50 FFAA CCOc1cc(C)c(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1C(C)C 1857683132 CWKKFMZZHMKMHH-RBBKRZOGSA-N 374.525 2.980 0 50 FFAA CC(C)[C@H]1CN2C[C@H](NC(=O)C3(c4ccc(Cl)cc4)CC3)C[C@H]2CO1 1857712670 LITFZKDQXVUOFA-FGTMMUONSA-N 362.901 2.986 0 50 FFAA COc1ncccc1CN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(N)=O)C2 1857720416 SYHWVMQQAZFENC-WAOWUJCRSA-N 351.450 2.541 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nc3ccccc3s1)C[C@H]2O 1857726500 URQOQANVSKDCCV-ZQYQINFJSA-N 366.486 2.865 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1COc2ccccc2C1 1857727822 BBFKNEUDHFARIJ-ZDUSSCGKSA-N 366.446 2.896 0 50 FFAA Cn1cc(N2CCC[C@H](N3CCC(COc4ccccc4)CC3)C2=O)cn1 119875202 LQFXQSLNDKGUGG-FQEVSTJZSA-N 368.481 2.707 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c2ccccc2n1C 328875792 ZOBGTSAXLDZQNM-RBUKOAKNSA-N 360.479 2.819 0 50 FFAA C[C@H](NC(=O)[C@@H]1CC[C@@H](N)C1)c1cc2c(cc1Br)OCCO2 237458932 OJVDCXZWIZJCLM-HBNTYKKESA-N 369.259 2.525 0 50 FFAA O=C(O)C1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 238102231 OPVYMWZODUIHFH-UHFFFAOYSA-N 358.207 2.844 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C)cc3)C2)nn1 12245724 URZZOSFVHIYBTP-GOSISDBHSA-N 355.486 2.906 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H](C1)CN2CC1CCC1)NCc1cccs1 247794658 QPZHFMQEFKCGCK-MSOLQXFVSA-N 361.555 2.951 0 50 FFAA CC(C)Oc1cccnc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 153226710 SPXNVMNMJYIGIJ-OAHLLOKOSA-N 371.412 2.933 0 50 FFAA C[C@@H](c1nnnn1-c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1 158824012 FEIMDXKFVQKFAK-HRAATJIYSA-N 361.449 2.897 0 50 FFAA Cc1csc(N2CCC(C(=O)N[C@H](C(=O)O)c3ccsc3)CC2)n1 1875271020 PZIPAWZMCLRVGN-ZDUSSCGKSA-N 365.480 2.672 0 50 FFAA COC(=O)[C@]1(F)CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@H]1C1CC1 1875379598 ZARDULLPXDTIPR-BONVTDFDSA-N 361.200 2.752 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N3CC[C@@H](CO)[C@H](c4ccccc4)C3)c2C1 1875308684 RUELCFHRBINUDE-HFTRVMKXSA-N 353.466 2.773 0 50 FFAA CCc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@H]1[C@H]2CNC(=O)C1(C)CCC1 1875406733 KZIXMNORHKTEPK-YCPHGPKFSA-N 358.486 2.519 0 50 FFAA O=C(C[C@@H]1OCCc2ccsc21)N[C@@H](Cc1cccc(F)c1)C(=O)O 2325762982 HURZJFRUHDWFIJ-GJZGRUSLSA-N 363.410 2.703 0 50 FFAA CCN1CC[C@H](N(CCNC(=O)C[C@H]2CCCCC2(C)C)C2CC2)C1=O 2325793710 FFBPTCJQDDKMTQ-AEFFLSMTSA-N 363.546 2.794 0 50 FFAA CN(C)[C@@H]1CCC[C@H](C(=O)NCCc2csc(N3CCCC3)n2)C1 2325797334 BGDLOPCBTKEMGK-GOEBONIOSA-N 350.532 2.522 0 50 FFAA O=S1(=O)CC[C@H]2CN(C3=Nc4ccccc4Oc4ccccc43)CCN21 2325805080 NUISPNYJMFALQF-AWEZNQCLSA-N 369.446 2.590 0 50 FFAA Cc1ccc([C@H](C)[C@H](O)C(=O)NC[C@@H](C(=O)O)c2cccc(C)c2)cc1 2325851816 KRPHKIDTLCBTFY-IPELMVKDSA-N 355.434 2.752 0 50 FFAA COC(=O)c1c(C)oc2cc(Br)c(OS(C)(=O)=O)cc12 2577138 KNNZZVAYRWYIJU-UHFFFAOYSA-N 363.185 2.629 0 50 FFAA Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)sc3nc12 2722931 CTSJNHVSGCWWAS-UHFFFAOYSA-N 350.403 2.543 0 50 FFAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)OCCc2cc(OC)ccc23)C1 2356146847 XPWULOHXHBJFFO-QGZVFWFLSA-N 374.481 2.790 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)Nc1cccc2nn(C)nc12 2356165442 IPQHSCFIJAFISC-UHFFFAOYSA-N 355.423 2.658 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCC[C@H]3COCCN3)ncnc21 2356169536 TXBAPJNCHCHEDL-HNNXBMFYSA-N 360.506 2.615 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3)CC2=O)c(OC)c1 8217691 ZLUNUCGLBACGLK-INIZCTEOSA-N 368.433 2.715 0 50 FFAA CCc1ncc(CN[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cn1 55271651 NGSWNVZRCRGISY-KRWDZBQOSA-N 358.873 2.626 0 50 FFAA O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@H](C(=O)O)C1 136145331 ZPNBSORIHXXCEK-AWEZNQCLSA-N 355.365 2.994 0 50 FFAA COc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)ccc1O 105903354 VGYUPMHYHHNVNC-IBGZPJMESA-N 362.514 2.850 0 50 FFAA CCCCN(Cc1cccc(OC)c1)C(=O)Cn1nc(Cl)ccc1=O 55401218 QUOXLMAGJXRRGV-UHFFFAOYSA-N 363.845 2.734 0 50 FFAA COc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cc1O 23374941 PKJLJAQZAUJFFI-IBGZPJMESA-N 362.514 2.850 0 50 FFAA COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c(OC)c1 67630912 MDQIEIUNSVEHEN-UHFFFAOYSA-N 370.405 2.800 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2cc(COc3ccccc3)[nH]n2)[nH]n1 67909700 BCNQLXYNIFTIJX-UHFFFAOYSA-N 353.426 2.939 0 50 FFAA Cc1nc(NCC(=O)Nc2ccc(F)cc2C)cc(C2CCNCC2)n1 67757159 TYTFVSLSPFXBBL-UHFFFAOYSA-N 357.433 2.750 0 50 FFAA Cc1csc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)n1 170804238 ZRWUWRLMOBFDJL-TZMCWYRMSA-N 359.451 2.639 0 50 FFAA CNC(=O)c1ccc(CNC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)o1 65508155 QBLMQDJOMYGGCZ-UHFFFAOYSA-N 353.422 2.905 0 50 FFAA COc1cc(C(F)(F)F)ncc1NC(=O)NCCc1ccc(CO)cc1 252486253 HKFBFNMQBLIMAS-UHFFFAOYSA-N 369.343 2.966 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179535 JLTLXEFNRIBPCX-YLXGYYMFSA-N 354.450 2.511 0 50 FFAA CCc1cc(C(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)ccn1 77407936 NCCBWJMDKHHODC-UHFFFAOYSA-N 351.450 2.745 0 50 FFAA CCc1[nH]c2c(CNS(=O)(=O)c3cnn(CC)c3)cc(F)cc2c1C 71760014 ZDGIUDQNEZWTMF-UHFFFAOYSA-N 364.446 2.873 0 50 FFAA O=C(c1ccnc(O)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280014718 MXIYSNCHFYRPOF-SMDDNHRTSA-N 352.312 2.754 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cn1 152068903 OSTWVWUINOEZHS-WMZOPIPTSA-N 370.501 2.917 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1 366766194 CSRNRUARAOGKHP-TWOQFEAHSA-N 370.453 2.981 0 50 FFAA Cc1occc1-c1cc(NC(=O)N2CCC(O)(C(F)(F)F)CC2)no1 332011815 ZMYYXJNGZCVKQY-UHFFFAOYSA-N 359.304 3.164 0 50 FFAA COCc1cccc(CC(=O)N2CCN(CCc3cccs3)CC2)c1 490287277 OEFYYJVVJMIZFD-UHFFFAOYSA-N 358.507 2.824 0 50 FFAA CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2NS(C)(=O)=O)C1(C)C 332484812 VXDHSAITLQXOKN-HUUCEWRRSA-N 372.462 2.519 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)nc1 77406097 LGEPVFFDPGOSHH-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1csc(CN)n1 237538419 DCAUZRNRNKDNLB-YGRLFVJLSA-N 351.859 2.857 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3N)cc2)n1 77407849 REJUYDWHPYJDEK-SFTDATJTSA-N 360.461 2.903 0 50 FFAA Cc1cc2c(cc1C(=O)NCc1csc(-c3ncccn3)n1)OCCO2 222808753 DJGICSBCQWDCHJ-UHFFFAOYSA-N 368.418 2.610 0 50 FFAA CC(=O)Nc1cccc(NC(=O)CN2CCC[C@H](c3ccncc3)C2)c1 242048151 VTHVWCQVBYPRAD-KRWDZBQOSA-N 352.438 2.858 0 50 FFAA O=C(CSc1ccccn1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223122880 CGUVHWDGJBUFIF-IAGOWNOFSA-N 358.463 2.664 0 50 FFAA CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 137061064 ZCLDGTLOGGRLSD-PMACEKPBSA-N 368.477 2.831 0 50 FFAA Cc1ccc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cc1O 82106957 IZOOEZCEWTZYAC-UHFFFAOYSA-N 368.481 2.975 0 50 FFAA O=C(NCCCN1Cc2ccccc2C1)c1cnc(-c2cccnc2)nc1 95374026 JTHYXLNYBCVPGI-UHFFFAOYSA-N 359.433 2.674 0 50 FFAA O=C(CCc1cnccn1)NC1CCN(Cc2ccccc2Cl)CC1 426526459 QKAUXOIOGGMAHD-UHFFFAOYSA-N 358.873 2.843 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 95390951 VVMLXSWKABMGOO-UHFFFAOYSA-N 373.884 2.545 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1C(=O)O 91914759 PZUBLJFEJVNBEK-LSDHHAIUSA-N 361.467 2.518 0 50 FFAA Cc1ccc2ncccc2c1CNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 95512819 JCEMKJFFSDLPOO-OAHLLOKOSA-N 354.454 2.553 0 50 FFAA CNC(=O)[C@H](NC(=O)Nc1cc(C)nn1C1CCCC1)c1ccccc1 96147889 VOGLHVMPQNHJFU-QGZVFWFLSA-N 355.442 2.915 0 50 FFAA O=C(c1cc(-c2ccccc2O)n[nH]1)N(CCO)Cc1ccccc1F 91908065 FJDITYNSBWEXCJ-UHFFFAOYSA-N 355.369 2.556 0 50 FFAA NC(=O)c1cc(NC(=O)N2CCC(OCc3ccccn3)CC2)ccc1F 97117401 GUBDWGRBZBRCJX-UHFFFAOYSA-N 372.400 2.533 0 50 FFAA NC[C@H]1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2O)C1 92080824 QNCOTQRJALPXTI-SECBINFHSA-N 367.236 2.577 0 50 FFAA Cc1ccc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)O)C2)cc1 96163041 GHRVGKPUXPRROU-RXVVDRJESA-N 356.466 2.530 0 50 FFAA Cc1cccc(OC2CN(C(=O)CN3C(=O)CCc4ccccc43)C2)c1 95503514 LTHIDKDOEQGUAE-UHFFFAOYSA-N 350.418 2.564 0 50 FFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCOC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 91574660 NRTBWHGXQDCVKL-OFKTZDNKSA-N 374.529 2.908 0 50 FFAA Cc1cncc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 179332066 YGKVXIIZSHBLCJ-UHFFFAOYSA-N 351.410 2.563 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)c1ccccc1-c1nnn[nH]1 97172898 SCGDTJONHCKULE-UHFFFAOYSA-N 357.439 2.525 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 95507858 BCZOLYPJSJBEFT-SFHVURJKSA-N 374.529 2.894 0 50 FFAA O=C1C[C@H](C(=O)O)C2(CCN(Cc3ccc(-c4ccccc4F)o3)CC2)N1 95384530 FILCYKHSCDEMFG-OAHLLOKOSA-N 372.396 2.641 0 50 FFAA CC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1nccs1 243892619 AJSIKRMQRKLOFE-HNNXBMFYSA-N 358.467 2.658 0 50 FFAA CCc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)o1 294973595 NENPLOBEFNBKPO-OAHLLOKOSA-N 373.453 2.567 0 50 FFAA CC1CCN(CCNC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CC1 534661631 UJNQFXGXQUUDEU-NRFANRHFSA-N 373.541 2.744 0 50 FFAA CSCc1noc(CNC(=O)N2CCc3ccc(F)cc3[C@@H]2C)n1 534654379 AEQXTDNCCVNSCP-JTQLQIEISA-N 350.419 2.901 0 50 FFAA CN(CCCn1cccn1)C(=O)NCC1(c2cccc(F)c2)CCOCC1 534666921 SQHFUZBNNFPBQV-UHFFFAOYSA-N 374.460 2.802 0 50 FFAA Cc1ccccc1Cn1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 102023665 CDDMGOFJLGDXKI-USJZOSNVSA-N 351.406 2.701 0 50 FFAA CCn1nc(C)c(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1C 299777384 GZWXEHUOVBKMNL-UHFFFAOYSA-N 368.481 2.929 0 50 FFAA Cc1nncn1CCN1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299780838 CEJCHDMYAOPETA-BJLQDIEVSA-N 354.454 2.557 0 50 FFAA Cn1cccc1-c1cc(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)n[nH]1 952972053 NSCVHCFQAIZWJF-OAHLLOKOSA-N 367.453 2.650 0 50 FFAA CCn1c(C)cc2cc(NC(=O)C[C@H]3C(=O)NCCN3C(C)C)ccc21 952964769 DKHAREOEMVLDKM-SFHVURJKSA-N 356.470 2.507 0 50 FFAA Cc1csc(S(=O)(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1 1565511374 ZTFDGSHIWDTMHB-HOTGVXAUSA-N 367.492 2.709 0 50 FFAA Cc1ccc2ncc(C(=O)N3CCC(c4nc(C)no4)CC3)c(O)c2c1 273280123 WMNVYOAHVJAQHD-UHFFFAOYSA-N 352.394 2.960 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2=O)[C@]12CCCO2 273684825 KUYFXRMIQFCRNQ-MBOZVWFJSA-N 373.453 2.662 0 50 FFAA CC1(C)Cc2cc(CN[C@H]3CCCN(c4nccnc4O)C3)ccc2O1 275363055 BHXSGDBLNVIHRV-INIZCTEOSA-N 354.454 2.654 0 50 FFAA O=C(c1cc(Cl)c[nH]1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275624415 MNRDQXXPSGCXAB-AWEZNQCLSA-N 360.845 2.957 0 50 FFAA CC(=O)N1CCC(NC(=O)c2cc(C)n(Cc3ccccc3)c2C)CC1 170086278 SGYYKUCWHZVXDG-UHFFFAOYSA-N 353.466 2.894 0 50 FFAA O=C(N1CCO[C@@H](C(F)F)C1)C1(c2ccc(Cl)cc2)CCOCC1 194110376 HCSOUZMNXCIDKA-CQSZACIVSA-N 359.800 2.881 0 50 FFAA CC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCCCCC1 1529161786 PSKCHBOXBWZMKS-MOPGFXCFSA-N 371.481 2.742 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1F)N1CCC[C@]2(CCC[C@H]2O)C1 1704337172 SARWTCLAALWMLW-HZPDHXFCSA-N 361.866 2.936 0 50 FFAA CNC(=O)c1cccnc1NC[C@H](C)Cn1nc(C)cc1C(F)(F)F 1704339110 OCURCHWZBKZDKY-JTQLQIEISA-N 355.364 2.713 0 50 FFAA COc1cc(CN2C[C@H]3CN(Cc4ccc(C)o4)C[C@]3(CO)C2)ccc1F 1772707959 ZIAYOFTVBUPCDH-UWJYYQICSA-N 374.456 2.662 0 50 FFAA CCN1CCC[C@H]1CN1CCCN(C(=O)c2ccc3ncccc3c2)CC1 1772813843 WMGIDACTCLTLMB-FQEVSTJZSA-N 366.509 2.867 0 50 FFAA C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NC1CCCC1 5014600 WPSQHORIQFMOMA-SNVBAGLBSA-N 351.863 2.855 0 50 FFAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCC(F)(F)F 11842095 RTFUVVGORXCSER-UHFFFAOYSA-N 366.343 2.947 0 50 FFAA O=C(Cc1ccccc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169749783 WADZDEQVBVDSPX-UHFFFAOYSA-N 362.433 2.509 0 50 FFAA O[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1NCc1cccc2c1NCCC2 1857531445 VZYVBGHSJUALFA-BVGQSLNGSA-N 360.889 2.824 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(Cc3nccs3)CC1)OCC2 1857683823 ZNPUHTQCBVSPHY-UHFFFAOYSA-N 350.465 2.967 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1cc(Cl)no1)C2 219713544 AIVIWVHRLCWDAE-KGLIPLIRSA-N 365.861 2.676 0 50 FFAA Cc1sc([C@H](C)N)nc1C(=O)NCc1nc2c(s1)C[C@H](C)CC2 1875287722 XLSBZGKYMRIVFP-BDAKNGLRSA-N 350.513 2.983 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 1875376078 YPQLVIKEHSGRGX-HQPKTYMTSA-N 353.507 2.646 0 50 FFAA CC(C)(C(=O)N1CCC[C@H](c2nn[nH]n2)C1)c1ccc(C(F)(F)F)cc1 879263955 VTLBYIVYJAVLOB-NSHDSACASA-N 367.375 2.902 0 50 FFAA CN1C(=O)CC[C@H](CN[C@H]2CCc3c(F)cccc32)[C@H]1c1cnn(C)c1 886026756 XMKUJXAPJGQBPW-MJWYBRSISA-N 356.445 2.746 0 50 FFAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1F 870596 JMSNVUTXNCLSSL-UHFFFAOYSA-N 370.319 2.585 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)c(OC)cc1Cl 2856081 GFUBLHHOMZSCNI-UHFFFAOYSA-N 371.798 2.856 0 50 FFAA NC[C@@H]1CCCc2ccc(C(=O)Nc3nccn3Cc3ccncc3)cc21 2325779028 BTDQNXUBMRSOOK-SFHVURJKSA-N 361.449 2.957 0 50 FFAA CC(C)(C)c1ccc([C@@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)c(F)c2)cc1 2325791136 XXPDDARXEUTQPK-ZWKOTPCHSA-N 374.456 2.548 0 50 FFAA Cn1c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc2cc(Cl)ccc21 2325797135 OPUIUIBCEKHBBV-WBHUJUFNSA-N 372.856 2.598 0 50 FFAA O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@H]1CNC2(CC2)CO1 2325799352 PPFLBLLIFICUOD-WOJBJXKFSA-N 366.461 2.812 0 50 FFAA N[C@H](CCNC(=O)NC1CC(OCc2ccccc2)C1)Cc1ccccc1 2325866438 KZNISJVFJKMTQM-QNGMFEMESA-N 367.493 2.994 0 50 FFAA Cc1c(Br)cccc1C(=O)Nc1cc(OCCN)ccn1 2325868775 KCCWPVYTAWQSIN-UHFFFAOYSA-N 350.216 2.742 0 50 FFAA CN1C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2C1=O 678736 VQFXZNFVNXELGG-UHFFFAOYSA-N 359.179 2.927 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cccc(-n3cccn3)c2)C1=O 2356148454 YBGXMBZQNMJXPP-NRFANRHFSA-N 366.465 2.878 0 50 FFAA Cc1nc2ccc(CC(=O)N3CCC[C@]34CCCN(C(C)C)C4=O)cc2[nH]1 2356152664 URNYJWQXUISNTN-NRFANRHFSA-N 368.481 2.806 0 50 FFAA Cc1ccccc1-c1ncc(CN(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)cn1 2356157651 PMOGXAGHIOGFJC-KSZLIROESA-N 350.466 2.799 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC 3077572 FFCREVYRHWHYCJ-MLGOLLRUSA-N 358.394 2.849 0 50 FFAA Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)CC1=O 4975570 MHHAXBRMYCOOSM-SECBINFHSA-N 370.356 2.857 0 50 FFAA CCN(Cc1ccccc1)S(=O)(=O)N1Cc2ccc(C(C)=O)cc2C1 416583269 HAPMFCONEWCLJS-UHFFFAOYSA-N 358.463 2.972 0 50 FFAA C/C=C\C[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)OCC 463387134 DJTRKGNKOGQVLS-HSBHDXMMSA-N 363.439 2.745 0 50 FFAA COc1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)cc1OC 23339249 SMRQSRAAIHZZND-UHFFFAOYSA-N 358.398 2.991 0 50 FFAA COc1ccc(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c(OC)c1 67688831 YTUWQJAVICGZMX-UHFFFAOYSA-N 355.438 2.876 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c1 65363770 JABOZAISZKTRGD-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@@H](NC(C)=O)C3)c(C)o2)c(OC)c1C 67678738 LVUUPBFKLKEVBJ-OAHLLOKOSA-N 373.453 2.686 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)NCCCCc1ccccn1 65490403 PDOAKBWTXSKGGC-UHFFFAOYSA-N 355.438 2.948 0 50 FFAA CCn1c(CC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nn(C)c1=O 65385547 VQCOVTFFANVWSJ-ROUUACIJSA-N 358.530 2.849 0 50 FFAA O=S(=O)(NCCOc1ccccc1)c1cc(C(F)(F)F)ccc1O 253430413 QOXOCDLCWVGDBB-UHFFFAOYSA-N 361.341 2.768 0 50 FFAA CNC[C@@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)C1 328595821 FOQJMZJMNXKCIB-FDMDGMSGSA-N 356.445 2.709 0 50 FFAA CCN(CC)Cc1ccccc1CNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 152358848 ZMQFLIGUORHOLF-UHFFFAOYSA-N 366.465 2.638 0 50 FFAA CC(C)NC(=O)CCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72439713 KWNCZXLTUYYMMN-JOCHJYFZSA-N 371.525 2.806 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 154021694 SUTJZTPPRFPBIK-STQMWFEESA-N 352.312 2.754 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cnn(CC(C)C)c2)n1C 328627661 GLDBCDLMRDYNRO-SFHVURJKSA-N 357.502 2.964 0 50 FFAA Cn1ccnc1[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333531056 QARCMOVFACELTQ-WMLDXEAASA-N 355.442 2.736 0 50 FFAA C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCCN([C@H](C)CO)CC1 375486073 RTUOKCHTMYLXMS-OLZOCXBDSA-N 374.312 2.709 0 50 FFAA Cc1ccc(CN(C)CC(=O)NC[C@@H]2CC(=O)N(C)c3ccccc32)cc1 218855271 KUKUULFDTAWJDI-SFHVURJKSA-N 365.477 2.693 0 50 FFAA O=C(O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cccc(O)c2)C1 71439931 CGTAKJKMWADTNC-CABCVRRESA-N 372.396 2.693 0 50 FFAA Cc1cc(C)c(CN2CCC[C@]3(C2)CN(C)C(=O)O3)c(-n2cccn2)c1 72478298 MTSTVKCWNVOCSQ-HXUWFJFHSA-N 354.454 2.906 0 50 FFAA Cc1ccnc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)c1 72408319 PBBUAUNCWGRGNU-UHFFFAOYSA-N 352.394 2.927 0 50 FFAA O=C(Nc1ccn(Cc2ccc(F)cc2)n1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226409150 OXMOWTFCOMYZRL-MGBSGCIJSA-N 355.369 2.532 0 50 FFAA CC(C)Oc1ncccc1NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 176881667 XLHMZNBSIDKWHU-GFCCVEGCSA-N 360.380 2.969 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc12 174501868 AHOLPNGXBGIWHG-LLVKDONJSA-N 362.499 2.887 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NC2CCN(c3ccccc3F)CC2)c1C 220501031 UKOFFABZYRDIBW-UHFFFAOYSA-N 372.444 2.627 0 50 FFAA O=c1[nH]c(SCc2ccccc2)ncc1S(=O)(=O)c1ccccc1 18204421 RFMYKGSDCMAGEZ-UHFFFAOYSA-N 358.444 2.895 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC(OCc3cccnc3)CC2)c2ccccc2N1 82166916 VDVBMONFQBYKBO-GOSISDBHSA-N 365.433 2.715 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82106785 JMAKPFCIMATKBL-UHFFFAOYSA-N 354.454 2.824 0 50 FFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)NCCSc1nncn1C 426669031 MJVGBAFEPIYFKR-CYBMUJFWSA-N 372.498 2.587 0 50 FFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O 239619628 BFXMGPGCBITYFC-ARGWCVDVSA-N 356.422 2.596 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NC[C@H](CO)Cc1cccs1 95531435 ALYAZXMRJJRHBG-QGZVFWFLSA-N 372.534 2.895 0 50 FFAA Cc1nc(CN(C)CC2CCN(CCc3ccccc3F)CC2)n(C)n1 95499405 UOQLEFIZRGORJI-UHFFFAOYSA-N 359.493 2.649 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc3c(c2)CC(=O)N3)nc2c1CCCC2 95499893 QXDMRLZEQOKYBO-UHFFFAOYSA-N 365.437 2.523 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3ccccc3)C2)n1C 95366643 OVMICNSOGJBBAK-SFHVURJKSA-N 350.470 2.748 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cn3c(C)cccc3n2)C1 91305078 DOKYNTIEDGFSMK-MRXNPFEDSA-N 367.453 2.505 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCCN(C(=O)[C@@H]4CCCO4)CC3)c(C)c2c1 91846371 JWYVTZCYQNWPRL-SFHVURJKSA-N 369.465 2.638 0 50 FFAA CC(C)Cc1ccc([C@H](C)C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 179293912 QLRQTASQVJCHHG-HNNXBMFYSA-N 353.466 2.667 0 50 FFAA Fc1cccnc1O[C@H]1CCCN(Cc2cnnn2Cc2ccccc2)C1 292890122 YWKVNUILJHPHFS-SFHVURJKSA-N 367.428 2.904 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCCO[C@@H](CN2CCCC2)C1 91664764 MILXSXJMHNMQHW-INIZCTEOSA-N 357.429 2.701 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)cc1)CC2 91444620 AYIMCZSGKZOSSW-UHFFFAOYSA-N 366.465 2.644 0 50 FFAA COCc1nnc(NC(=O)CN2CC[C@@H](c3ccccc3Cl)C2)s1 244633205 FZDKLSJDBIZPRM-LLVKDONJSA-N 366.874 2.766 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)Cc2noc(C3CCCC3)n2)c1C 243901489 BBWMDIYGFPHXTC-UHFFFAOYSA-N 360.462 2.631 0 50 FFAA CCOc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1 299747152 CDJVCIRWLPQQBS-CQSZACIVSA-N 361.419 2.739 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N(C)C(=O)c1ccc(CN)o1 299739140 LBLDGTHIRVYPIW-IGOJGBNBSA-N 355.482 2.967 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](Oc2cccc(F)c2)C1 183248193 JUMROGYVADANLG-MRXNPFEDSA-N 363.410 2.603 0 50 FFAA COc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 263618310 SEYGFKCNOKXHDA-IBGZPJMESA-N 366.396 2.730 0 50 FFAA O=C(c1cnc(CN2CCCC2)s1)N1CCCC2(CCNCC2)CC1 67856413 UWEWUUFCCMUUFV-UHFFFAOYSA-N 362.543 2.735 0 50 FFAA O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@H](c2cc[nH]n2)C1 906842938 IKLUPPZSKXHFPS-JTQLQIEISA-N 365.846 2.508 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1 584899198 OKVLBKXYPZFCAF-FPOVZHCZSA-N 366.461 2.737 0 50 FFAA Cc1cccc([C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)N(C)C)c1 952978979 LVKIRESCYRCORR-MRXNPFEDSA-N 352.398 2.542 0 50 FFAA CC[C@@H]1C(=O)N([C@H]2CCOc3c(Br)cccc32)C(=O)N1C 408517021 QOFUHZBQYDSNOG-NEPJUHHUSA-N 353.216 2.945 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)o1 275319318 IWZLVMFFKPDRID-AWEZNQCLSA-N 351.353 2.614 0 50 FFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2c(c1)CCCO2 275531631 NEJMEWMHLWAATL-KBXCAEBGSA-N 356.426 2.644 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275799170 UPWHFOBNGODCPR-MRXNPFEDSA-N 356.495 2.744 0 50 FFAA O=C(NC1CCC(O)CC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 187222363 PAIDDUCRGNZTRD-ROKHWSDSSA-N 371.403 2.887 0 50 FFAA C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(CC4CCCC4)o3)ccc2O1 194901629 UXWIIWNZBTYLNX-NSHDSACASA-N 363.439 2.927 0 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O[C@H](c1ccccc1)c1cn(CC2CCN(Cc3ccoc3)CC2)nn1 19112986 FCURZRIVSWRNMK-HXUWFJFHSA-N 352.438 2.865 0 50 FFAA Cc1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(C(=O)c2ccc[nH]2)CC1 1857688456 KPJYUBUAXLEISF-UHFFFAOYSA-N 365.481 2.834 0 50 FFAA Cc1ccc2nc(O)c(CN3C[C@@H](C(=O)O)C4(CCOCC4)C3)cc2c1 1857703906 WACNTYXUYNADMA-INIZCTEOSA-N 356.422 2.562 0 50 FFAA O=C(C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1)c1cccnc1 209782271 QGKZQMICIWUYFH-UXHICEINSA-N 360.413 2.795 0 50 FFAA CCOc1ccc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 210003675 YNGJHNGJFJQJQL-MSOLQXFVSA-N 369.417 2.805 0 50 FFAA CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1 791329 RCEQZOJLFPGJIV-UHFFFAOYSA-N 359.426 2.562 0 50 FFAA aggregator O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1Cc1cc(F)ccc1F 416262516 WREQPDHQLRURKB-QGZVFWFLSA-N 369.375 2.788 0 50 FFAA Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@H]1CCN(C)C1=O 120223676 OQQMASNQNIGBEE-LBPRGKRZSA-N 368.220 2.917 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)ccc2O1 328864885 WFYJHYURISLDSG-IEBWSBKVSA-N 363.479 2.732 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1 331604660 LVPWSYOYLVMXDE-SECBINFHSA-N 355.192 2.542 0 50 FFAA CC(C)(CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C(=O)O 236794981 JIPUVQBDXRFVLA-LLVKDONJSA-N 369.259 2.645 0 50 FFAA C[C@@H](C(=O)N1CCC[C@H](N2CCCC2=O)CC1)n1cnc2ccccc21 334015921 YVEWROHVMYRPFZ-HOTGVXAUSA-N 354.454 2.601 0 50 FFAA CC[C@H](CNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)Oc1ccccc1Cl 247301450 IIERSRLHVINNQK-MELADBBJSA-N 358.891 2.816 0 50 FFAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC[C@@H](N)C1 150797866 QJRCFHHIEAUGDY-WDEREUQCSA-N 358.269 2.908 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl 162629710 YOOSYVVWPFFRRY-ZETCQYMHSA-N 367.283 2.709 0 50 FFAA COC1(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)CCCCC1 952848441 MYGWBHBEPXITQG-CVEARBPZSA-N 358.486 2.983 0 50 FFAA Cc1csc2c(N3CCC4(CC3)C[C@@H]4NC(=O)C(F)F)ncnc12 952894136 MIWGZTYYQFTQNV-JTQLQIEISA-N 352.410 2.740 0 50 FFAA CN(CCc1ccccc1O)C(=O)NC[C@H]1C(F)(F)C12CCOCC2 1875301423 JZKXLXQFCWCTNS-OAHLLOKOSA-N 354.397 2.638 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)c1 1875395593 GFOMQIZEIPQARG-HOYKHHGWSA-N 350.484 2.830 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCC12CCC2 1875405061 OMVPTEHVEXZISW-SPYBWZPUSA-N 358.486 2.595 0 50 FFAA O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(O)nc3nc4ccccc4n3c2N1 4624509 UHRLDTMDDHQPIV-NSHDSACASA-N 374.356 2.791 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC(N2CC(O)C2)CC1 2100555552 WKXXUECLSVXVND-UHFFFAOYSA-N 352.434 2.760 0 50 FFAA Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccoc3)s2)CC1 2325704052 CQDFIGWFMOXBEV-UHFFFAOYSA-N 357.439 2.535 0 50 FFAA Cc1cccc2c1c(CCNS(=O)(=O)C1C[C@@H]3[C@@H](C1)C3(F)F)cn2C 2325782876 LJZJVCWPRVBALP-HUUCEWRRSA-N 368.449 2.992 0 50 FFAA CCn1nc(C(=O)N(C)CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@@H]23)cc1C1CC1 2325794449 CBRUEBWVEHZDDA-YESZJQIVSA-N 372.513 2.747 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C[C@@H]3CNC4(CCOCC4)C3)cc2)c1C 2325795772 XXQACQSWJNGRDC-KRWDZBQOSA-N 368.481 2.976 0 50 FFAA COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)NCC[C@H](N)Cc1ccccc1 2325866514 NVFRPIHTHGUDFD-XJABCFGWSA-N 367.493 2.985 0 50 FFAA Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(C[C@@H]2CCNC2)nn1 881099135 ZVJRDEVMOBPSOK-AWEZNQCLSA-N 356.861 2.626 0 50 FFAA CCOC(=O)c1cnn(-c2nc(CC)nc3sc4c(c23)CCC4)c1N 628698 SHXVQARHNNROBZ-UHFFFAOYSA-N 357.439 2.687 0 50 FFAA CCCOC(=O)[C@H](CC)n1cnc2sc(C(=O)OCC)c(C)c2c1=O 1778412 PHFPYXDCTCSROQ-NSHDSACASA-N 366.439 2.847 0 50 FFAA C[C@@H]1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[C@@H](C)C2)C1 2753917 MTWNAIPUXJTKCG-VXGBXAGGSA-N 352.372 2.774 0 50 FFAA CCOc1ccc(NC(=O)CSc2nnc(NC(C)=O)s2)cc1 2997885 HWLXFEJQGJVRCR-UHFFFAOYSA-N 352.441 2.626 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCC[C@]4(C3)C(=O)Nc3ccccc34)nc21 2356168026 MMOFRINJBPYEFH-OAQYLSRUSA-N 360.417 2.699 0 50 FFAA COc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)c(OC)c1 4316322 QJERMIAKBKWVHG-UHFFFAOYSA-N 356.357 2.984 0 50 FFAA COc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(OC)cc1C 4488134 LSIFGKPYMVPJPC-UHFFFAOYSA-N 370.515 2.600 0 50 FFAA COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1OC 4993776 ZRKXMGHFBXZIGX-UHFFFAOYSA-N 371.466 2.561 0 50 FFAA Cc1cc2n(n1)CCCN(C[C@H]1[C@@H]3CN(C(=O)c4ccccc4C)C[C@H]13)C2 102533997 SHKJUTNOZJFIME-MZADTFQBSA-N 364.493 2.724 0 50 FFAA COc1cccc(NC(=O)c2ccc(NC(=O)CCN3CCCO3)cc2)c1 55403092 XAZVNQLYMUOKOJ-UHFFFAOYSA-N 369.421 2.913 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H]1CCNC1)CCO2 67675964 ZZZPCNCESYTLJP-OAHLLOKOSA-N 352.434 2.698 0 50 FFAA CCn1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c(C)n1 23358104 SUNFDWOLEZAEIP-NRFANRHFSA-N 356.514 2.589 0 50 FFAA COc1ccc(-c2nc(CN3CCO[C@H](CN)C3)c(C)o2)c2ccccc12 67784511 MROHTYWCBNAUCB-OAHLLOKOSA-N 367.449 2.971 0 50 FFAA COCc1nnc(NC(=O)CN2CCC[C@H]2c2cc(C(C)C)on2)s1 65394860 MRYSDILTUQJMQY-LBPRGKRZSA-N 365.459 2.572 0 50 FFAA Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)no1 2780640 BUYDHQBERJZKFP-UHFFFAOYSA-N 367.125 2.908 0 50 FFAA Cc1ccc(OCn2ccc(C(=O)NCc3c(C)nn(C)c3C)n2)c(C)c1 2800393 NSAVGWVIACFKMQ-UHFFFAOYSA-N 367.453 2.817 0 50 FFAA CC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCC(=O)N1Cc1ccccc1 71750978 HXNCZQRCJRZFAP-QGZVFWFLSA-N 366.465 2.940 0 50 FFAA O=C(c1cccs1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72428019 VHMJULXYAYXWGP-UHFFFAOYSA-N 355.419 2.814 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)c2c1 72422987 VLWNGUVSVBLJHG-JKSUJKDBSA-N 351.450 2.798 0 50 FFAA CN(C)[C@@H]1CCCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 72163216 QBUVRXWFBDCIRY-GMWOYJHMSA-N 371.529 2.516 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCc2nc[nH]c2[C@H]1C(=O)O 72428607 BSVODFXCSGOWLF-SFHVURJKSA-N 362.389 2.604 0 50 FFAA C[C@@H](Sc1ccccn1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 77486229 RVDFUHGRXTWCKY-CYBMUJFWSA-N 362.886 2.959 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 153117447 HIFMFGKIJQSMGY-IBGZPJMESA-N 366.465 2.555 0 50 FFAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O 363404220 KDBUKYYMXDZTIG-MSOLQXFVSA-N 356.470 2.904 0 50 FFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(c2ncc[nH]2)CC1 72420473 FZJQRQAKPQPQQG-UHFFFAOYSA-N 366.425 2.584 0 50 FFAA CNC(=O)C1(NC(=O)c2cc(-n3cccn3)ccc2Cl)CCCCC1 216331102 MKXKOLWFDDZQJJ-UHFFFAOYSA-N 360.845 2.704 0 50 FFAA CO[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3C(=O)O)CC2)[C@H]1O 72152138 PJLZWGQIEAUBGJ-UXHICEINSA-N 367.445 2.981 0 50 FFAA Cc1cccc(OC2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c1 77490021 HTSVDKUKSTTZEJ-FQEVSTJZSA-N 354.450 2.640 0 50 FFAA CC[C@H](C)Sc1ncc(CN2CCN(C(=O)c3ccc[nH]3)CC2)cn1 215442663 DTSSIDUGEFBHJR-AWEZNQCLSA-N 359.499 2.653 0 50 FFAA COc1ccc(N2C(=S)N[C@@H]3N2C(=S)N[C@@]3(C)c2ccccc2)cc1 13571644 VYVXBEFYZHTMSX-QAPCUYQASA-N 370.503 2.736 0 50 FFAA O=C([C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC1 71748333 WUVURMBNYSZFIA-FQEVSTJZSA-N 370.541 2.771 0 50 FFAA C[C@H]1CCc2sc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)cc2C1 72462604 AKNPHVKPPATWPS-LBPRGKRZSA-N 373.478 2.743 0 50 FFAA COc1nc(C)c(C(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)s1 77436713 IBRNNGSMXQNMLA-UHFFFAOYSA-N 359.451 2.566 0 50 FFAA COc1c(C(=O)N2CCC(C(=O)O)CC2)sc(C)c1Br 237276735 TXHFSNZEEKINKH-UHFFFAOYSA-N 362.245 2.764 0 50 FFAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 378272576 YMCMMOVNXJSUCU-MOPGFXCFSA-N 367.497 2.756 0 50 FFAA COc1ccc(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cc1OC 240534554 GOMBXHHWUHPURM-INIZCTEOSA-N 359.470 2.926 0 50 FFAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cc(=O)c2ccccc2o1 223313223 AQBVARQGKCUHIW-QGZVFWFLSA-N 374.400 2.946 0 50 FFAA O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)c1ccncc1 82108291 YOEWJLGZOSVGPQ-UHFFFAOYSA-N 353.470 2.747 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 239173909 OWYHFPWAXLRJLO-WKRCXCSHSA-N 355.434 2.620 0 50 FFAA Cc1cc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)ncn1 91656189 LKTDUSNMNLNGGC-UHFFFAOYSA-N 351.454 2.589 0 50 FFAA CCN1C[C@H](C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)CC1=O 91848914 LZPGAQNGWQQBBS-GOSISDBHSA-N 351.450 2.787 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)NCCNc3cccnc3)cc2)CC1 96165744 YJJKXRUXSPGWBM-UHFFFAOYSA-N 369.469 2.788 0 50 FFAA O=C1OCc2cc(NC(=O)N3CCC([C@@H](O)c4ccccn4)CC3)ccc21 95529979 MLXGZBYMKYPSOB-GOSISDBHSA-N 367.405 2.730 0 50 FFAA O=C(NCCO)c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1 95519535 FWBJNPDROOSUQU-UHFFFAOYSA-N 366.889 2.848 0 50 FFAA CCCn1nc(C)c(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)c1C 95519786 RZSCMQFUDWZVCW-UHFFFAOYSA-N 357.414 2.677 0 50 FFAA O=C(COc1cccc(F)c1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 92099295 FHDJUAPHIYQPGQ-NRFANRHFSA-N 374.456 2.846 0 50 FFAA O=C(c1c[nH]nc1-c1ccccc1F)N1CCC(O)(c2ccccn2)CC1 426535620 OJZIXOGKVWWAKT-UHFFFAOYSA-N 366.396 2.735 0 50 FFAA NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 91411678 TXERJAYFGJGPJX-GFCCVEGCSA-N 369.368 2.919 0 50 FFAA CCCc1nc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cs1 96131680 OJYDKRNSBBOUQJ-AUUYWEPGSA-N 358.463 2.706 0 50 FFAA Cn1nnc2cc(NC(=O)NCCN3CCCc4ccccc43)ccc21 97742877 AKAAAPNXODTJCQ-UHFFFAOYSA-N 350.426 2.543 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCC[C@@H](OCc2ccccn2)C1 91605009 JGALVHWNTRJPHQ-MRXNPFEDSA-N 362.376 2.946 0 50 FFAA CSCCc1nc([C@H](C)Cn2cncn2)n(C2Cc3ccccc3C2)n1 96131952 ZXRACHHLQAFNSS-CQSZACIVSA-N 368.510 2.919 0 50 FFAA C[C@H](CNC(=O)Nc1ccccc1CN1CCOCC1)Oc1cccnc1 95512453 VOAZEYNPOBVXMA-MRXNPFEDSA-N 370.453 2.503 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 95364273 MOESTWQBXQKBHL-DFQSSKMNSA-N 366.440 2.627 0 50 FFAA OCCOCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95375223 JOYQQZZIGIKBJB-HXUWFJFHSA-N 358.526 2.729 0 50 FFAA Cc1nn(C)c2nc(NCC3(N4CCN(C)CC4)CCCCC3)sc12 95528773 SXRPMLRGGWJWSF-UHFFFAOYSA-N 362.547 2.700 0 50 FFAA CCOC(=O)c1[nH]c2ncc(Cl)cc2c1I 91693042 BKPNKKZRBYXENB-UHFFFAOYSA-N 350.543 2.998 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCC(N3CCSCC3)CC2)cc1 95528057 PTFFMRMRTQWJAJ-UHFFFAOYSA-N 363.483 2.518 0 50 FFAA Cc1ccnc(SCC(=O)NC2CCN(CCc3ccccc3)CC2)n1 244626747 FRWCAGMLWNIYGL-UHFFFAOYSA-N 370.522 2.700 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCCOCC1 180032438 HPNYGNIDUUGFIH-ZDUSSCGKSA-N 356.451 2.845 0 50 FFAA CCc1c(C(=O)Nc2ccsc2C(=O)OC)nnn1-c1ccccc1 252480840 CEQUXTIMQGJQQS-UHFFFAOYSA-N 356.407 2.930 0 50 FFAA O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCC[C@@H](O)CC1 294982214 UFOJMJOJBFVJQB-DLBZAZTESA-N 352.434 2.566 0 50 FFAA C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]2(C)[C@@]1(O)C(=O)CO 253498125 OEUSFHQPBGKUNR-HOIMRQEASA-N 364.526 2.929 0 50 FFAA CCCn1ccnc1CNC(=O)N1CCC(OCc2cccnc2)CC1 534636904 CRDOAOKGBQMHRK-UHFFFAOYSA-N 357.458 2.579 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 614031174 SBAAUWPUUZQLAA-HXUWFJFHSA-N 370.424 2.620 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)Nc1cc(=O)n(C)c(=O)n1C 1940193616 OPEGSYAHNROAHY-UHFFFAOYSA-N 373.796 2.558 0 50 FFAA Cc1cc(-c2cccc(C(=O)N(C)Cc3nc(C4CC4)no3)c2)nc(N)n1 299789834 ABMXBRACKYVYMZ-UHFFFAOYSA-N 364.409 2.567 0 50 FFAA O=C(c1cccc(Cl)c1Cl)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299770779 MNPTZTFOWKAJJT-STQMWFEESA-N 353.209 2.571 0 50 FFAA Cc1nc(NC(=O)CN2CCCC[C@@H]2c2ccccn2)sc1C(=O)O 299767291 FWKMBVLHFYMECQ-CYBMUJFWSA-N 360.439 2.710 0 50 FFAA Cc1ccc(NCCCN[C@@H]2CCC(=O)N(Cc3ccccc3)C2)nc1 825195218 FRTPNBZRICJJCF-LJQANCHMSA-N 352.482 2.973 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565513936 IZMKKIZKYLWLEG-IRXDYDNUSA-N 364.442 2.705 0 50 FFAA NCCc1cccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)c1 1565512954 VLWAQEFDMSBBHJ-UNMCSNQZSA-N 363.505 2.924 0 50 FFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 268935939 HKNIJECRIHRKRW-ATLSCFEFSA-N 370.449 2.822 0 50 FFAA O=C(CCn1cc(Cl)cn1)N[C@H](CO)c1cccc(Br)c1 271286569 HIOYMOZANOUNCC-CYBMUJFWSA-N 372.650 2.539 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 276065331 UHWQGHVTEJEZTM-PMACEKPBSA-N 353.466 2.628 0 50 FFAA O=C(NO[C@H]1CCCCO1)c1ccc(Cn2nnc3ccccc32)cc1 170608046 CDWLDNIWJQDIJS-SFHVURJKSA-N 352.394 2.668 0 50 FFAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(Cl)cn2)C1 189726889 FZEKCMWUFLXCPT-UONOGXRCSA-N 366.893 2.990 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)c1ccccc1OC[C@@H]1CCCO1 194240037 DDOAXICVPIGUAN-SFHVURJKSA-N 358.482 2.849 0 50 FFAA CN(C(=O)Nc1cnns1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 194328446 PUAGGURRWYZLOO-JQWIXIFHSA-N 359.238 2.967 0 50 FFAA C[C@@H](OC(=O)c1nnc(O)c2ccccc12)C(=O)N(C)Cc1ccccc1 746346748 PWODAUBLXHCQSE-CYBMUJFWSA-N 365.389 2.539 0 50 FFAA CCCc1cc(CN(C)S(=O)(=O)c2cc(C)c(C)cc2OC)n[nH]1 1506422108 ONXYNYQDJWHSHN-UHFFFAOYSA-N 351.472 2.808 0 50 FFAA CCc1ccccc1CN1C[C@H]2CN(c3cccc(C)n3)C[C@@]2(CO)C1 1772807529 OMFVXYXXWSSHDY-RBBKRZOGSA-N 351.494 2.883 0 50 FFAA Cc1noc(CN(C)C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)n1 1772814527 DSZMBKDDASOABA-CYBMUJFWSA-N 369.450 2.660 0 50 FFAA CCOC(=O)C1=CS[C@@H]2S/C(=C\c3cccc(OC)c3O)C(=O)N12 5672552 MGBFAEYVSBZLNU-JQPKSGMCSA-N 365.432 2.752 0 50 FFAA O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCO1 11820516 YKFRGEXJCVCVRP-UHFFFAOYSA-N 367.449 2.903 0 50 FFAA COc1ccc2ccccc2c1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)C1 11841555 DZVWFXDNICUHPD-OAHLLOKOSA-N 352.434 2.866 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 11946504 CLTKWEBNRRFYME-CYBMUJFWSA-N 352.381 2.588 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 12138279 HQCRXRQGCOZIME-LJQANCHMSA-N 368.433 2.921 0 50 FFAA CCCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 12298215 PXRHIGHQHVTHMU-FQEVSTJZSA-N 359.470 2.629 0 50 FFAA COc1ccc(-c2nc3ncc4c(=O)n(Cc5ccco5)ccc4n3n2)cc1 13732703 RUJZZFQCHWIEKU-UHFFFAOYSA-N 373.372 2.756 0 50 FFAA O=C(Nc1ccnn1C1CCN(C(=O)c2c(F)cccc2F)CC1)C1CC1 15072193 SEOPPIOBNRIXGI-UHFFFAOYSA-N 374.391 2.987 0 50 FFAA OCCN1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 19831821 DTUMEHJKOVWCPD-UHFFFAOYSA-N 356.495 2.737 0 50 FFAA Oc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816402 KKZUDLYBZQAOKQ-UHFFFAOYSA-N 352.509 2.770 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1nc(-c3ccc(F)cc3)cs1)C2 1857669849 OEGQOEYNPJCEQG-SCLBCKFNSA-N 362.426 2.872 0 50 FFAA CCc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)N3CCCCC3)C[C@@H]2O)s1 1857687421 XALXHKLNMRQQDX-BPUTZDHNSA-N 364.511 2.582 0 50 FFAA Cc1ncnc(C)c1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857698917 NQPHBRWXPWEUGO-UEXGIBASSA-N 351.450 2.692 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)[C@H]1CC[C@H](c2ccccc2)N1 1857718505 XFWBPCGKMJGGSF-QZTJIDSGSA-N 353.470 2.893 0 50 FFAA Cc1nnc(CCCS(=O)(=O)Cc2cccc(Br)c2C)o1 225665904 AMPOWSORNVQYEE-UHFFFAOYSA-N 373.272 2.997 0 50 FFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C[C@@H]1CCCCO1 328623473 JFBADNAHNFQNBB-STQMWFEESA-N 359.392 2.882 0 50 FFAA Cc1c(CC(=O)N2CCC3(CCOCC3)[C@H]2C)nnn1-c1ccccc1 374958856 BFUDNPCQKMQEPF-MRXNPFEDSA-N 354.454 2.536 0 50 FFAA O=C1CC[C@H](c2ccccc2NC(=O)c2ccnn2CC(F)(F)F)N1 913236753 LKINMFBUIDOQLJ-GFCCVEGCSA-N 352.316 2.649 0 50 FFAA CCc1cc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)oc1CC 952887331 NWALSGORTPTFHJ-LSDHHAIUSA-N 358.442 2.502 0 50 FFAA Cc1cc(C)c2cccnc2c1S(=O)(=O)N1C[C@H](CN)CC12CCC2 1875337340 RZVXERZDEXEGAK-HNNXBMFYSA-N 359.495 2.744 0 50 FFAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2nc3cnccc3s2)C1 1875395301 AEIHKKZRPHPKQY-GYCJOSAFSA-N 364.496 2.558 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(c4cnc5ccccc5n4)C3)n[nH]c21 1875395056 IRTDTKNYVZEWDQ-NEPJUHHUSA-N 363.421 2.615 0 50 FFAA Cn1cccc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@]13CCCC[C@H]1C3)CC2 1875406394 COIJCLKLNDTLPA-WLKXKRCBSA-N 355.482 2.859 0 50 FFAA CCN1C[C@@H](COC(=O)c2cnc(-c3ccccc3Cl)nc2)CC1=O 845473364 DOBXDKRMNMRICL-LBPRGKRZSA-N 359.813 2.822 0 50 FFAA C[C@H]1C[C@@H](c2ccccc2)CN1c1ccc(C(=O)N2CCNCC2)cn1 2325798649 MMABHZSABCTEDK-QFBILLFUSA-N 350.466 2.509 0 50 FFAA CC(C)CCN1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 2325868449 ZNMMLIGLKQQLES-INIZCTEOSA-N 359.470 2.648 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2sccc2Br)C1 2325888453 UPGLSIHWMWUBGK-SNVBAGLBSA-N 357.273 2.551 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)cc1 2325889980 LPMRTPRMBXXVMB-GOSISDBHSA-N 352.438 2.855 0 50 FFAA O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 893081 KWNQBVHOFOPGNY-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC(N3CCCCCC3)CC2)cc1 1165884 HCEPTPQIRITPEC-UHFFFAOYSA-N 352.500 2.724 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(C)(=O)=O 1173693 SQNVLSWNDDJCKS-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COc1ccc2cc3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2 1604019 ZHYQCBCBTQWPLC-UHFFFAOYSA-N 351.358 2.971 0 50 FFAA biogenic,in-vitro COc1cc([C@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1608025 IZBPVUYUOQFKQB-CWTRNNRKSA-N 360.362 2.761 0 50 FFAA CCCCc1nc(CN2CC[C@](CCC)(C(=O)O)[C@@H](O)C2)c(Cl)[nH]1 2356162107 XUKXLFOFUWGJLK-GUYCJALGSA-N 357.882 2.843 0 50 FFAA O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CC(=O)N(c2ccccc2)C1 4841533 IJQHCBKYYGRUIH-HNNXBMFYSA-N 363.373 2.833 0 50 FFAA Cc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 104466671 GFLJZZHFVLCSMG-GOSISDBHSA-N 374.554 2.586 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(NCc3noc([C@H]4CCCO4)n3)c12 67654150 AQLCZZLKZXVMFN-MRVPVSSYSA-N 361.383 2.545 0 50 FFAA Cn1cnnc1C1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 24694586 ARPWLMYIEGTGBN-UHFFFAOYSA-N 367.478 2.882 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=S)NCCCn2ccnc2)s1 6564786 QRCNKVHXVZTIRO-UHFFFAOYSA-N 352.485 2.670 0 50 FFAA O=C(O)CSc1nnc(-c2cn[nH]c2)n1-c1ccccc1C(F)(F)F 67855084 FVAHYSMTEKJIMH-UHFFFAOYSA-N 369.328 2.853 0 50 FFAA NC(=O)Nc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 138292594 WHMVVENGWXGQFN-UHFFFAOYSA-N 366.465 2.706 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2C(=O)c2ccoc2)s1)N1CCOCC1 20867353 KRAONXGFAWWQEQ-AWEZNQCLSA-N 360.435 2.791 0 50 FFAA COC1(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)CCC1 252508391 XMMXJNFIMMLXNO-UHFFFAOYSA-N 366.483 2.805 0 50 FFAA Cn1c(=O)sc2cc(S(=O)(=O)Nc3cnc4ccccc4c3)ccc21 1424660 CVUFUVNDBOOHII-UHFFFAOYSA-N 371.443 2.949 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2=O)c1 72138977 YYXYCRRVOYPVOD-UHFFFAOYSA-N 366.421 2.523 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(CCC(=O)N2)CC1 219888680 ABLOILRUCJFXLN-MRXNPFEDSA-N 368.481 2.821 0 50 FFAA CCOC(=O)c1sc2ncn3nc(-c4cc(C)nn4C)nc3c2c1C 2790812 NFCKIYYHLGWDOO-UHFFFAOYSA-N 356.411 2.533 0 50 FFAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCC(OCc2cccnc2)CC1 77472622 HVNGDWTUVJXIEI-SFHVURJKSA-N 360.841 2.976 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[nH]1 72146078 KYIDRQDAGXULIE-OAHLLOKOSA-N 351.410 2.508 0 50 FFAA COCCc1noc([C@@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)n1 215816326 QCRNRSAONWOYKD-OAHLLOKOSA-N 369.425 2.688 0 50 FFAA Cc1cccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)c1F 72407140 ILAGBVNDPANADY-QGZVFWFLSA-N 374.456 2.812 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3nccn3C)cc2)n1 77356128 DOUAEQLWWFRIIA-UHFFFAOYSA-N 351.454 2.927 0 50 FFAA Cc1c(C(=O)N2CC3(CCC3)c3c(F)cccc32)nnn1-c1ccn(C)n1 328855603 JXWBVVFXNOOKOB-UHFFFAOYSA-N 366.400 2.530 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1F)C1CCN(Cc2ccccc2)CC1 363351289 DUTBVJSTNMCJTD-HXUWFJFHSA-N 356.441 2.888 0 50 FFAA COc1cccc(-c2noc(-c3ccc(N[C@H]4CCNC4)nc3)n2)c1OC 72125338 RKLQYSPHDFQQAI-ZDUSSCGKSA-N 367.409 2.590 0 50 FFAA C[C@H]1CCCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)[C@H]1CN 237737644 XWDGTODBGPJCOX-WFASDCNBSA-N 373.478 2.781 0 50 FFAA Cc1ccn(CCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)n1 219330527 UCPXJRRLICDDMH-UHFFFAOYSA-N 354.454 2.524 0 50 FFAA COc1nc2c(cc1CNC(=O)c1cc(C)c[nH]1)C(=O)N(C1CCCC1)C2 71712212 DZKRQSMNUVSUNP-UHFFFAOYSA-N 368.437 2.555 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(O)nc2cc(F)ccc12 262342566 GHMIKGPMGGVJMS-GTTSAUCSSA-N 358.369 2.937 0 50 FFAA O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CCCN1C(=O)Cc1ccccc1 159320754 PTUOMLLRUZXORV-OALUTQOASA-N 370.493 2.828 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cnc(C)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72144511 ZCHJBWOFPYKNNR-CEWLAPEOSA-N 362.477 2.796 0 50 FFAA CC(C)n1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccc(F)cc2)cn1 19836503 BEVMWAQLTBKAQL-RBUKOAKNSA-N 372.444 2.851 0 50 FFAA Cc1nc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)sc1C 44890570 CELWAORAWQBYON-UHFFFAOYSA-N 358.398 2.761 0 50 FFAA O=C(Nc1cc(-n2cnnc2)ccc1F)N1CCC[C@H](Cn2ccnc2)C1 426477291 WIGXWLCWNWGCJX-CQSZACIVSA-N 369.404 2.547 0 50 FFAA COc1cccc(N2CCN(C(=O)NC[C@@H]3CCCN(C)C3)CC2(C)C)c1 426489370 MQIRMDRFQIVMCD-KRWDZBQOSA-N 374.529 2.647 0 50 FFAA Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCOc2ccccc21 176175064 YRFKKUVDIKPCJE-DLBZAZTESA-N 354.454 2.932 0 50 FFAA CC(C)c1nnc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CC3)o1 426597168 DBTIVGLKJBDBLN-LLVKDONJSA-N 352.394 2.555 0 50 FFAA CCCNC(=O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 41128131 NCRWRHLIRXTDLC-UHFFFAOYSA-N 361.417 2.979 0 50 FFAA CCCCn1c(=O)c(=O)n(CC(=O)Nc2ccc(C)cc2)c2ccccc21 45221920 OWGZIZPPNWYAFF-UHFFFAOYSA-N 365.433 2.910 0 50 FFAA CCc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(C)=O)cc1 239309762 HVLUCVHXAILUOJ-GFLQDLJJSA-N 364.445 2.613 0 50 FFAA O=C(O)[C@@H](Cc1nc2ccccc2[nH]1)Nc1nccc(-c2cccnc2)n1 97551361 XEVVRZJQJABVCP-MRXNPFEDSA-N 360.377 2.523 0 50 FFAA CC(C)c1ccccc1NC(=O)NCC[C@H]1CCC(=O)N1CCN(C)C 96132941 YZQZSXUPDZHZLL-MRXNPFEDSA-N 360.502 2.874 0 50 FFAA CCn1c(=O)n(CC)c2cc(NC(=O)NCc3cnc(C)cn3)c(C)cc21 96142099 ZTRXKSCWGWDZLW-UHFFFAOYSA-N 368.441 2.571 0 50 FFAA CC(C)c1csc(CCNCc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)n1 95363978 WFUYQQZDMPEHJA-UHFFFAOYSA-N 370.478 2.539 0 50 FFAA O=C(C1CCC1)N1CCC(C(=O)N2CCCC[C@H]2CCn2cccn2)CC1 91664340 YRABKZLEBRGQBP-IBGZPJMESA-N 372.513 2.693 0 50 FFAA Cc1ncc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 97360133 VYJAHYHVRWJBLT-UHFFFAOYSA-N 364.371 2.762 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1 91587450 BNNMXQYFWHRPLU-OAQYLSRUSA-N 368.481 2.594 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91289120 RMDJNYLNVIKJMM-OAQYLSRUSA-N 368.481 2.527 0 50 FFAA O=C(COC[C@@H]1CCCCO1)N1CCC(O)(c2ccc(Cl)cc2)CC1 244853057 VEKMBXIXYVDJBX-KRWDZBQOSA-N 367.873 2.736 0 50 FFAA CC[C@H](C)[C@H](NC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1)C(=O)O 252552023 ULUVSAUIWNKOPX-GTNSWQLSSA-N 370.409 2.766 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CC(n3cccn3)C1)O2 252502594 URIFQQOFBCJQPR-HXUWFJFHSA-N 355.438 2.681 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1 534663480 XSBTYHYGVWEZIJ-QGZVFWFLSA-N 369.440 2.806 0 50 FFAA Cc1cc(C)n2nc(C(=O)N(Cc3ccsc3)C[C@H]3CCCO3)nc2n1 55385737 ANTAPDDTMTXINC-OAHLLOKOSA-N 371.466 2.624 0 50 FFAA Cn1ccn2ncc(C(=O)N3CCC[C@H](COc4ccc(F)cc4)C3)c12 299756523 DIDLGSFUEXOCKJ-AWEZNQCLSA-N 356.401 2.743 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)CCc1nc(-c3ccco3)no1)C2 299792037 GKPGSMYIRHNCHF-UHFFFAOYSA-N 367.409 2.892 0 50 FFAA CCCCN1CCn2nc(CNC(=O)Cn3ccc4ccccc43)cc2C1 299782955 UMCMUHVPRNXYKE-UHFFFAOYSA-N 365.481 2.770 0 50 FFAA Cc1ccc2ncccc2c1CNC(=O)CC[C@H](C)N1CCN(C)CC1 299791208 CSKVEABFAXYJLX-KRWDZBQOSA-N 354.498 2.576 0 50 FFAA CCc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 299761130 RXZGHOWOWMYULQ-UHFFFAOYSA-N 352.482 2.878 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccc3c(ccn3C)c1)CC2 299800438 SKRAQFAWSOLIBL-SESVDKBCSA-N 358.482 2.699 0 50 FFAA Cc1nc2cc(CNC(=O)[C@@H]3CCCN(c4ccccn4)C3)ccc2n1C 827736378 GPRVEDVECOPELP-QGZVFWFLSA-N 363.465 2.810 0 50 FFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCCn3cnc(C)c3C)c2)o1 825281707 VXPDVYLBSRKYRG-UHFFFAOYSA-N 374.466 2.750 0 50 FFAA Cc1ccc(C(N)=O)c(N2CCC(n3cc(-c4ccccc4)nn3)CC2)n1 55402608 KPLKFCOQWRSWHQ-UHFFFAOYSA-N 362.437 2.589 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N(Cc1cocn1)Cc1cocn1 952866865 GRWHQEFRBVNOAD-HNNXBMFYSA-N 370.409 2.697 0 50 FFAA O=C(Cc1cccs1)NC[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 952868583 AZGDMQOOWWAHRE-AWEZNQCLSA-N 366.918 2.669 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCN(c3ccncc3C)CC2)c(C)s1 952986963 CHRFZTIFIZDRGT-UHFFFAOYSA-N 365.524 2.969 0 50 FFAA Cc1cc2nc(C(=O)Nc3ccc4nc([C@H](C)O)[nH]c4c3)cc(C)n2n1 952991475 SICIGAARMFYPOU-NSHDSACASA-N 350.382 2.528 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 272030888 PFBVTORVJDDNAD-SECBINFHSA-N 351.200 2.867 0 50 FFAA CCc1nc(N[C@H]2CCCN(c3nccnc3O)C2)c2ccsc2n1 275410568 DCIZMUSRLIONDR-NSHDSACASA-N 356.455 2.830 0 50 FFAA CCc1noc(C2CCC(N[C@@H]3CCO[C@@H](c4cncn4C)C3)CC2)n1 275604978 QQPWQZANQSBCMO-OCUYMYNFSA-N 359.474 2.902 0 50 FFAA CC(=O)Nc1ccc(C)c(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c1 188608471 YGALBDTZYVXZBY-CYBMUJFWSA-N 357.376 2.567 0 50 FFAA COc1cccc([C@@H](O)C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 764850399 DUJPQYKPYIGHJH-GOSISDBHSA-N 369.421 2.995 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@H]2Cc3ccccc3C(=O)N2)c1 1529187535 URFBTCMVYFQBGO-LJQANCHMSA-N 374.444 2.841 0 50 FFAA Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC3=CCCCC3)C2)cn1 211924411 QZRXQUHIENPVEA-MJGOQNOKSA-N 370.497 2.764 0 50 FFAA O=C(c1ccncc1)N1CC[C@@H]2N(Cc3cccs3)CCC[C@@]2(CO)C1 215263554 JCQKOFIGOPZXGW-ICSRJNTNSA-N 371.506 2.632 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)N)C2)sc1Br 227649280 BTQURROBNXOYNH-UWVGGRQHSA-N 367.334 2.567 0 50 FFAA O=C(c1ccccn1)N1CCCN([C@@H]2CCN(c3ccccc3)C2)CC1 1772808352 NTXBSSNXPHEDBW-LJQANCHMSA-N 350.466 2.508 0 50 FFAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1CCCCC12CC2 1772804528 QJKCAXPXTNRYBQ-CQSZACIVSA-N 361.511 2.630 0 50 FFAA CCOCCN1C[C@@H]2CN(Cc3cnc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772815982 CAUMRKRSMGOWLR-IFMALSPDSA-N 368.525 2.813 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1 11661240 BJGAJSLAFMHIEZ-OAQYLSRUSA-N 369.465 2.931 0 50 FFAA Cc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 11690358 KRBVELWMWOPQQW-UHFFFAOYSA-N 359.393 2.717 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 12478707 GTGOUEBIPYIHSP-ZDUSSCGKSA-N 365.817 2.943 0 50 FFAA O=c1c(CN2CCN(c3ncccn3)CC2)coc2ccc(Cl)cc12 16662738 IBEAYMLKQREFMQ-UHFFFAOYSA-N 356.813 2.559 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169364094 PDQQQTPWRPKBAS-LPWJVIDDSA-N 354.200 2.574 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857730720 ZJMWENMUMGTICZ-FCEWJHQRSA-N 362.857 2.846 0 50 FFAA CC(=O)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2555093 HSGIKRPBGCJRDB-SFHVURJKSA-N 369.373 2.541 0 50 FFAA in-vitro O=C(O)c1ccc(CCC(=O)N2CCC(CN3CCCCC3=O)CC2)cc1 238059814 NOLXLVFAOPGCCN-UHFFFAOYSA-N 372.465 2.569 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 263061054 XGLQXTFNLFDJJB-UPJWGTAASA-N 351.365 2.599 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)coc2c1 1704298959 MPZJIXUQEPIECF-DENIHFKCSA-N 370.493 2.897 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(O)ccc3F)C1)CC2 1704312681 IITRHGFRXAGMNS-FQEVSTJZSA-N 370.428 2.508 0 50 FFAA COc1ccc([C@H](CC(=O)N[C@H](C)[C@H](O)c2ccccc2)NC(C)=O)cc1 809214520 FGEUJGKUIWKUOU-RFVSGWPVSA-N 370.449 2.501 0 50 FFAA Cc1nn(CC(F)F)cc1C(=O)NCCc1cccc(C(F)(F)F)n1 820500637 JEUDSLOQCLNJSE-UHFFFAOYSA-N 362.302 2.843 0 50 FFAA CN1CCC[C@@H]1CCNC(=O)N1CCC(c2ccccc2C(=O)O)CC1 952852398 JVKHVLOBOHYSMO-MRXNPFEDSA-N 359.470 2.758 0 50 FFAA Cc1ccc(N2C[C@@H](c3nc(-c4n[nH]c(C5CC5)n4)no3)CC2=O)c(F)c1 1875265734 BKXXKKDAPSLKNB-NSHDSACASA-N 368.372 2.700 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCCc2nc(-c3ccccc3)no2)C1 886075692 XJYTZGCAIAIOPR-KURKYZTESA-N 356.470 2.511 0 50 FFAA COc1cc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)ccc1Cl 888097420 ISDFOHVYTFBFOX-FPAYPSAMSA-N 352.906 2.918 0 50 FFAA Cc1nccn1CC(=O)N1CC2(CCOCC2)[C@H]1c1cnn(C(C)(C)C)c1 888101124 GTFFLPDLQKVRJW-GOSISDBHSA-N 371.485 2.523 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)C1CCN(c3ccncn3)CC1)[C@H]2C 2325766845 NUWUWCMVPFQCAE-HNNXBMFYSA-N 366.465 2.848 0 50 FFAA Cc1cc([C@H]2CCCN2c2cc(O)nc(=O)n2C)ccc1Br 2325780396 AVDBYWNNZGQZBQ-CYBMUJFWSA-N 364.243 2.898 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCN[C@@H]([C@@H]4CCCO4)C3)cc2)c1C 2325795338 AUDUJZFNXIWKJB-AHRSYUTCSA-N 368.481 2.975 0 50 FFAA FC(F)c1nnc2ccc(=NCc3cc(C(F)(F)F)sn3)[nH]n12 2325796326 JDEYQWRZGPRFQD-UHFFFAOYSA-N 350.276 2.571 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCSC[C@@H]2c2cccs2)C1 2325888655 NNLIRQBWJAPHPX-ZIAGYGMSSA-N 350.509 2.789 0 50 FFAA CCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1 811950 YCWAJADYBSNMAU-UHFFFAOYSA-N 352.481 2.658 0 50 FFAA Cc1cccc(C)c1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 824249 MPCLJOUSRHHBLW-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 882088 AKOMHZKUFPWVAS-UHFFFAOYSA-N 358.419 2.999 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1O 1064155 SSFHIUBNJMCBMJ-UHFFFAOYSA-N 361.814 2.752 0 50 FFAA O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCOCC1 1452053 WTLLHIJKDXFCPS-UHFFFAOYSA-N 360.460 2.984 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2c[nH]c3ccccc23)CC[C@@H]1O 2356151184 WBSCPBQUYNOIIB-FXAWDEMLSA-N 358.438 2.882 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2c(C)nc3sccn23)C1=O 2356167153 JCEJSSOPAKISPW-SFHVURJKSA-N 360.483 2.711 0 50 FFAA CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 2817517 OPXGLBGCSHWPEF-UVTDQMKNSA-N 356.378 2.696 0 50 FFAA COC(=O)c1c(NC(=S)Nc2ccn(C)n2)sc2c1CCCC2 2853466 UUJJKLQCRBEOHO-UHFFFAOYSA-N 350.469 2.956 0 50 FFAA COC(=O)c1cc(NCc2ccccc2OC)ccc1N1CCOCC1 4386324 LBKXDYJWAGLOOS-UHFFFAOYSA-N 356.422 2.931 0 50 FFAA CCOC(=O)c1cn(CCCC(=O)N(C)C)cc(Oc2ccccc2)c1=O 55072217 NZBOTASDXKVVAI-UHFFFAOYSA-N 372.421 2.686 0 50 FFAA CCCCC[C@@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 43772106 WLQWTLGHSFPOQC-SJQORLFUSA-N 372.502 2.670 0 50 FFAA in-vitro CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)C1 67895523 JQWSDTDUMJIJCZ-INIZCTEOSA-N 354.454 2.950 0 50 FFAA CC(C)C[C@H](C(=O)NCc1cccs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248251494 JAZZKOADHPSODB-BZUAXINKSA-N 360.479 2.730 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1nnc(-c2ccccc2)o1 65375428 SIDGXOUQYKZZGB-CQSZACIVSA-N 361.405 2.625 0 50 FFAA Cc1nc2c(C(=O)N3CCC4(CCC(=O)N(C)CC4)CC3)cccc2[nH]1 67834112 AISOLCLNYQIYCM-UHFFFAOYSA-N 354.454 2.736 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCCO[C@H](C)C3)nc2)n1 67790788 VRUPOLFSPMMJBQ-CYBMUJFWSA-N 360.483 2.646 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)c2ccccc2-n2cncn2)CC1 67675094 WBZVYQIFXWDRHU-UHFFFAOYSA-N 350.426 2.573 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(-c3cccc(CO)c3)nc2)no1 67907991 MNONJYVUFGVPDD-UHFFFAOYSA-N 352.394 2.677 0 50 FFAA CC[C@@H](NC(=O)Cc1nc2nc(C)cc(C)n2n1)c1nc(C)c(C)s1 65490376 QRJULZXVGWOYBC-CYBMUJFWSA-N 358.471 2.624 0 50 FFAA CC[C@@H]1CN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1O 252476883 DEFNHUZYJQIROX-JFIYKMOQSA-N 356.470 2.519 0 50 FFAA COc1cc(CN2CCN(CC(=O)Nc3ccccc3)CC2)ccc1C 252485188 GOVNLBOPCYYGJG-UHFFFAOYSA-N 353.466 2.760 0 50 FFAA C[C@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252457455 KNSTXVBEHUQNDA-GGOFEBJYSA-N 373.453 2.663 0 50 FFAA CC[C@H](C)n1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1C 252485030 GMSNFDFYTOTJFV-HNNXBMFYSA-N 355.486 2.952 0 50 FFAA C[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 72481379 ZFKFYKINEVBTBX-AWEZNQCLSA-N 370.415 3.000 0 50 FFAA CC(=O)N[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1c1ccc(C)cc1 77555397 GXVHBGALWOOIPN-LSDHHAIUSA-N 364.371 2.912 0 50 FFAA O=C(c1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)cc1)N1CCOCC1 71767480 JUJZGKPRMYHFFS-BIUPVWIKSA-N 368.477 2.667 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCN(c2nc3ccccc3s2)CC1 72479701 WLSSMQVANVCBBV-UHFFFAOYSA-N 360.389 2.932 0 50 FFAA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCC1(C)C 328604596 KGGBOKPFCVBZTF-KSSFIOAISA-N 355.438 2.969 0 50 FFAA O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 329084124 FOCNZHHVSRCNAP-SFHVURJKSA-N 374.444 2.577 0 50 FFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)CC1 153163022 XGPCPNAHMXSYJA-MRXNPFEDSA-N 353.422 2.785 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCn1c(=O)[nH]c2ccccc21 216463480 VDDLHUFLQNKLEV-ZDUSSCGKSA-N 356.451 2.678 0 50 FFAA COC(=O)c1ccccc1CC[S@@](=O)Cc1c(C)cc(C)nc1OC 488861578 DRQYVHXNMBCYAC-RUZDIDTESA-N 361.463 2.985 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)Cc2cnn(C)c2)C1 14966252 UVGJAODQGQTBMG-GOSISDBHSA-N 356.514 2.815 0 50 FFAA O=C(c1cccc(OCc2cccnc2)c1)N1CC[C@@H]2CNC[C@@H]2CC1 261759564 JPMHVWZYYKAUEB-KDURUIRLSA-N 351.450 2.732 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 77341445 QPHFPSLLSYGEOG-GFCCVEGCSA-N 369.450 2.607 0 50 FFAA COc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1OC 33089041 CHZGJHVQOKJXRS-UHFFFAOYSA-N 350.374 2.827 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72143094 PSKKKDXWFHINKI-HNNXBMFYSA-N 359.209 2.669 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccccc1Cl 72119107 UGIQMNLYUPMGSV-UHFFFAOYSA-N 360.849 2.964 0 50 FFAA Cc1n[nH]cc1C1CCN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 375912668 COGQQBHXAWDSJY-SFHVURJKSA-N 355.438 2.906 0 50 FFAA O=C(c1cnc2n(c1=O)CCS2)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 376075441 WRDQJXRRFZXUNN-USXIJHARSA-N 367.474 2.757 0 50 FFAA COc1cccc(C2(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)CC2)c1 376138705 DRUFWKKLZISEPC-OAQYLSRUSA-N 355.409 2.986 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)cn1 77303295 DYLHIDIRUAUITM-QGZVFWFLSA-N 366.465 2.963 0 50 FFAA COc1ccc(N2C(=S)N[C@@H]3N2C(=S)N[C@]3(C)c2ccccc2)cc1 13571639 VYVXBEFYZHTMSX-CRAIPNDOSA-N 370.503 2.736 0 50 FFAA CC[C@H]1CN(c2ncnc3onc(C)c23)CCC(=O)N1Cc1ccccc1 71763359 FGGNUONOGDUFBA-INIZCTEOSA-N 365.437 2.944 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1 222562710 URKYRFVHPLPQMI-UHFFFAOYSA-N 366.509 2.733 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC2(CCCCCC2)C1 173375521 WPJOHVPQTPSBFV-UHFFFAOYSA-N 355.438 2.793 0 50 FFAA O=C(c1ccc(Cl)s1)N1CCn2nc(CNc3ncccn3)cc2C1 426440429 XZNLJVVULOWCEI-UHFFFAOYSA-N 374.857 2.656 0 50 FFAA O=C(c1ccc[nH]1)N1CCC2(CCN(Cc3ccccc3)CC2)[C@H](CO)C1 97594746 BANOHIMKGCVSFG-IBGZPJMESA-N 367.493 2.752 0 50 FFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCC(c2ncc[nH]2)CC1 95526214 IKNOVXJLLNKURU-UHFFFAOYSA-N 356.813 2.924 0 50 FFAA O=C(NCCCNc1cccnc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91616926 OKTARWPWMZQRRX-SFHVURJKSA-N 372.513 2.819 0 50 FFAA Cc1nc(CN(C)C(=O)Nc2cc(NS(C)(=O)=O)ccc2C)cs1 96152003 HDENVRAADDSALW-UHFFFAOYSA-N 368.484 2.795 0 50 FFAA CCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91547414 ARNIJCLUNKDMIG-UHFFFAOYSA-N 351.397 2.509 0 50 FFAA O=C(NCc1nc2c(s1)CCCC2)N(Cc1cocn1)Cc1cocn1 426548644 XWKAFLVZQBXVDD-UHFFFAOYSA-N 373.438 2.910 0 50 FFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3csc(C)n3)[nH]c2C1 95391521 RRETWXNMEAUNLR-LLVKDONJSA-N 354.435 2.920 0 50 FFAA Cc1nnnn1Cc1ccc(-c2nc(C3CC3)nn2CC(F)(F)F)cc1 96138978 IAFXVLYZVAARRH-UHFFFAOYSA-N 363.347 2.728 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)NC[C@H](c2sccc2C)N(C)C)c1 97610196 XYMQRWDHAUQYMI-MRXNPFEDSA-N 374.510 2.769 0 50 FFAA CCCCc1nc(-c2cc(C(C)=O)n[nH]2)n(-c2ccc3c(c2)OCCO3)n1 96151670 WFQDYLGTJYCCGB-UHFFFAOYSA-N 367.409 2.974 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)c[nH]1 91452374 DSVUHKUNZXJKSM-NRFANRHFSA-N 368.433 2.897 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(c2ccnc(C)c2)CC1 91664629 WTASGTRGCBPMLF-UHFFFAOYSA-N 351.458 2.630 0 50 FFAA O=C1COc2cccnc2N1CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 95530620 FCCKSFVDVRFCKI-MRXNPFEDSA-N 369.396 2.700 0 50 FFAA Cc1c(N2CCC[C@@](CO)(C(C)C)C2)nn2c(C(F)(F)F)nnc2c1C 293969655 HRIOBFDSNVTUBB-MRXNPFEDSA-N 371.407 2.995 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)NCC3(Cn4cccn4)CC3)[nH]c12 534583369 AXOQFEHSBORYDR-UHFFFAOYSA-N 366.469 2.732 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NCc2ccon2)Cc2ccccc2C1 39478614 DZOBCAZTRCMSLS-UHFFFAOYSA-N 361.445 2.960 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)NCCNc2cccnc2)cc1 299755258 DRZMFGCXXRVKPD-CQSZACIVSA-N 353.426 2.831 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)cc1 299790606 CMLDDEWBWYDCQO-CQSZACIVSA-N 351.410 2.899 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)C(C)(C)NC(=O)c2cccs2)c1C 299777035 HUKOHMGBPAEOQQ-NSHDSACASA-N 362.499 2.967 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCCc2nc3c(s2)CCC3)cc1 299780206 BSNNPEAAGJYZQE-UHFFFAOYSA-N 358.467 2.746 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CC[C@@H](CO)[C@@H](O)C3)cc(C)c2c1 1565516123 ASALARWYXDZEOK-YJBOKZPZSA-N 374.506 2.536 0 50 FFAA CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 277936574 USPJQOVSOQDPEZ-TZMCWYRMSA-N 374.890 2.734 0 50 FFAA O=C(NCCCc1c[nH]c2ccccc12)[C@@H]1CCCN1C(=O)C(F)(F)F 170600683 UWJSBSCFNMFELT-HNNXBMFYSA-N 367.371 2.770 0 50 FFAA Cc1ccc(-c2cnc(CCC(=O)N(CCO)C3CCOCC3)o2)cc1 170602633 WMFHAMLNTQAINC-UHFFFAOYSA-N 358.438 2.583 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190035530 IVRTVJJYYCCKNG-SFHVURJKSA-N 367.453 2.889 0 50 FFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1nnc(C2CCCC2)o1 760546447 VVUPBRYSKUQOFD-INIZCTEOSA-N 355.442 2.952 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(c2ncccc2C(=O)N2CCCC2)C1 1704300082 UBACCPNWEQXDPZ-NRFANRHFSA-N 351.450 2.724 0 50 FFAA COc1ccc(C2(CNC(=O)[C@@H]3CC[C@H](O)[C@H](OC)C3)CCCC2)cc1 1704332107 WTWSFHBRQYFVID-AYOQOUSVSA-N 361.482 2.799 0 50 FFAA Cn1cnc(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 1704300757 ZDLLPMNIGYLGNW-JOCHJYFZSA-N 373.460 2.997 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H]3CCOC3)CC2)nc2ccc(F)cc12 1772807908 VZPAMXLTNBWMDG-OAHLLOKOSA-N 357.429 2.758 0 50 FFAA C=CC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 5494962 FDMHQFIKKCRCPC-SNVBAGLBSA-N 352.674 2.972 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCN1CCOC1=O 11767447 JJJPXGZKQXQEJJ-QGZVFWFLSA-N 356.397 2.916 0 50 FFAA CCc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1 12003788 LBECBHWGUFYICQ-ZDUSSCGKSA-N 372.446 2.814 0 50 FFAA CCOC(=O)c1ccc(CN2C(=O)CC[C@H]2CCNCc2cccnc2)o1 12167118 DMQUJFPXHPRZJH-INIZCTEOSA-N 371.437 2.522 0 50 FFAA CO[C@H]1CCCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)C1 12299987 QJZPQDMXHSAUDD-AWEZNQCLSA-N 354.410 2.632 0 50 FFAA CSCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12300090 WPGLWLXQQCWJMN-GFCCVEGCSA-N 360.401 2.676 0 50 FFAA c1csc(CNc2nc3nonc3nc2NCCc2cscn2)c1 12373613 CSSILGKHGRHGSZ-UHFFFAOYSA-N 359.440 2.798 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNCc2cc3ccccc3o2)CC1 12432362 BPBLNKBOEWYSBZ-UHFFFAOYSA-N 364.449 2.786 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccccc1C(F)(F)F 12750475 NALULMMRAMKJBV-QGZVFWFLSA-N 356.388 2.559 0 50 FFAA CCOc1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 14632525 GVWFEWSPHMSSBL-GJZGRUSLSA-N 351.399 2.927 0 50 FFAA O=S(=O)(Cc1ccccc1)c1ncc(CO)n1CCc1ccccc1 16577869 LZPBFRNLBXFKRE-UHFFFAOYSA-N 356.447 2.592 0 50 FFAA O=C(NCCc1cscn1)c1coc(CN2CCc3ccccc3C2)n1 19301172 OHIZNWBDXNRXFM-UHFFFAOYSA-N 368.462 2.662 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 19851869 VZUPHQYHIURMHI-UHFFFAOYSA-N 364.898 2.988 0 50 FFAA CCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169762656 VLBDKSVIOGFPBC-UHFFFAOYSA-N 350.422 2.576 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857724981 HTPLDPHWLDRVDN-HXUWFJFHSA-N 368.437 2.785 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1Cl 1857720250 LCYQQWLTEXZREZ-XWESNNAXSA-N 364.873 2.530 0 50 FFAA COCCC(=O)N1CCC(NC(=O)[C@H](C)c2ccc(Cl)s2)CC1 158423943 DOQIIYJKIYGTQX-LLVKDONJSA-N 358.891 2.649 0 50 FFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2ccc(C(N)=O)cc2)cc1 818024966 VYXRGURZXJDVME-TZIWHRDSSA-N 354.450 2.666 0 50 FFAA CN(C)C1CCN(c2ccc(NC(=O)c3ccc(N)nc3)cc2F)CC1 876752711 WZWBPHLMAGITSR-UHFFFAOYSA-N 357.433 2.586 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1cc(C)nn1C)c1ccc2ccccc2c1 1875370932 JCYYNYBFZIUYOZ-SFHVURJKSA-N 362.433 2.655 0 50 FFAA COc1ccc(-c2ccnc(N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)n2)cc1 1875399038 MIESRCUNYBHDQH-GDIGMMSISA-N 365.437 2.600 0 50 FFAA CCc1nc(O)ccc1C(=O)N[C@@H](CCn1cncn1)c1ccccc1 2100543867 ZRVWFHUPNPBPKR-KRWDZBQOSA-N 351.410 2.503 0 50 FFAA COc1cccc2cc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(=O)oc12 720392 FNSNZCZSMPVBHD-UHFFFAOYSA-N 358.438 2.841 0 50 FFAA CCn1c2ccccc2c2cc(NC(=O)C(=O)N3CCOCC3)ccc21 2825662 SKODPDCGZKIONS-UHFFFAOYSA-N 351.406 2.612 0 50 FFAA O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 4841729 BNTDWOGKMWDPLH-OAHLLOKOSA-N 350.374 2.714 0 50 FFAA COc1cccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1 10327391 YWLOEVILEBLUHP-UHFFFAOYSA-N 355.419 2.896 0 50 FFAA CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 459165064 RGMBRILULZZXOZ-HZPDHXFCSA-N 366.893 2.914 0 50 FFAA CC(C)Nc1cc(N2CCN(Cc3ccccc3F)[C@@H](CCO)C2)ncn1 107015865 NVPUOXBLVKQTCM-KRWDZBQOSA-N 373.476 2.509 0 50 FFAA CCc1cccc(OCCN(C)C(=O)c2ccccc2NCC(=O)O)c1 55413089 WETPFSVYLIAALK-UHFFFAOYSA-N 356.422 2.897 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)on1 53401586 WLQATOXEAPHTHX-LBPRGKRZSA-N 355.316 2.527 0 50 FFAA c1csc(CN2CCCN([C@H]3CCOC4(CCOCC4)C3)CC2)c1 107115741 PNRLQOGNPFARAW-KRWDZBQOSA-N 350.528 2.984 0 50 FFAA CCN1CCN(CCCOc2ccc(I)cc2)CC1 20406433 HWHRKOHTBBIBKS-UHFFFAOYSA-N 374.266 2.698 0 50 FFAA C[C@H](Cn1cc(Br)cn1)NCC[C@@H]1C(=O)Nc2ccccc21 133982353 CMHAWNIPIBWTDA-RISCZKNCSA-N 363.259 2.750 0 50 FFAA C[C@H]1CNC(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 67654969 WURKGNMQJVNJHA-INIZCTEOSA-N 361.449 2.645 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H]3CCC(=O)N(C)C3)ccc2n1-c1ccccc1 134121617 XGLOSBVVFZQJGJ-MRXNPFEDSA-N 362.433 2.685 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 117747205 XCWJFHHMYVFRPD-WMLDXEAASA-N 354.406 2.984 0 50 FFAA COC(=O)Cc1c(C)n(Cc2ccc(S(C)(=O)=O)cc2)c2ncccc12 117593106 OWVNNRJDIHJRRC-UHFFFAOYSA-N 372.446 2.512 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 65362922 GVNINBPMAVLOLT-NSHDSACASA-N 364.389 2.706 0 50 FFAA CCc1nn(C)c(NC(=O)c2cccc(CN3CCCN(C)CC3)c2)c1C 65532338 OXRIUOZQRNUTTQ-UHFFFAOYSA-N 369.513 2.681 0 50 FFAA CC1CCN(C(=O)[C@@H](C)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 229423349 YLRWSHMVUMTODS-HZPDHXFCSA-N 353.507 2.575 0 50 FFAA Cc1[nH]n(-c2nc(O)cc(C(F)(F)F)n2)c(=O)c1Cc1ccccc1 4024776 BQCBWERCLSTCQQ-UHFFFAOYSA-N 350.300 2.579 0 50 FFAA COc1ccc(C2=NO[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC 4035084 AQCIVZDKBXCLRQ-SFHVURJKSA-N 358.369 2.652 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 252512256 ONJOZNHRXKSZKX-IAAVTCLWSA-N 356.466 2.648 0 50 FFAA COc1cc(F)c(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)cc1OC 72166674 OPMDHXMREVTOCN-UHFFFAOYSA-N 372.440 2.996 0 50 FFAA O=C(c1cnc2sccn2c1=O)N1CCC(OCc2ccccc2)CC1 77356381 SHTWAQMNIFSPMY-UHFFFAOYSA-N 369.446 2.577 0 50 FFAA CC(C)[C@@H]1CN(CCn2cccn2)CCC(=O)N1Cc1ccc(F)cc1 71738718 MIJLFUMHZFXYCX-IBGZPJMESA-N 358.461 2.781 0 50 FFAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 365140940 XTIFGFGWHZDKFF-KBPBESRZSA-N 368.437 2.585 0 50 FFAA O=C(Nc1cccc(-c2cnco2)c1)C(=O)N1CCC[C@@H]1C1CCOCC1 442411908 XWNYNBFYVUUFIG-QGZVFWFLSA-N 369.421 2.698 0 50 FFAA O=C(c1csc(C(F)(F)F)n1)N1CC[C@H](OCc2ccncc2)C1 366369223 HVAHDSIIQTZAKG-NSHDSACASA-N 357.357 2.988 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCNC1 236589702 VMTCVHDPKVLUBO-WMLDXEAASA-N 365.905 2.600 0 50 FFAA O=C(NCc1nc(-c2ccccc2F)no1)c1cccc(-n2cccn2)c1 77286476 GCDTWHWKUCULPB-UHFFFAOYSA-N 363.352 2.991 0 50 FFAA Cc1oc2c(c1C(=O)N1CCC[C@H](C(=O)c3nccn3C)C1)C(=O)CCC2 77376142 IQGSRLXZZFSRAS-ZDUSSCGKSA-N 369.421 2.576 0 50 FFAA O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@@H]1CCNC1 237903901 JPYRZZMIDUTPNS-QAPCUYQASA-N 352.413 2.642 0 50 FFAA O=C(CCC(F)(F)F)N1CCC[C@H](Cn2cc(-c3cccnc3)nn2)C1 48179367 ZIJRTRGOSGKIMG-ZDUSSCGKSA-N 367.375 2.921 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CC[C@H](c2ccco2)C1 377611997 RDTAEHRQSZWOOX-AWEZNQCLSA-N 354.410 2.593 0 50 FFAA CC1CCN(Cc2ccc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)o2)CC1 71767954 OKJGUXPHWNODNX-OAHLLOKOSA-N 360.376 2.915 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCCC3)n2)cc1 44893460 WYDUYOMNHYUEGK-UHFFFAOYSA-N 355.438 2.758 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1ccc(N(C)C)cc1 222872242 COLOFVHHULJDNN-UXHICEINSA-N 360.498 2.942 0 50 FFAA CCc1nc(CN(C)C(=O)NCCN2CC[C@H](c3ccccc3C)C2)no1 426474419 VADNMVHAUYQHQI-INIZCTEOSA-N 371.485 2.571 0 50 FFAA Cc1cccc(-n2cc(CN(C)C(=O)CCN3CCCCCC3=O)cn2)c1 220348697 OCZTZGOJIZHXHE-UHFFFAOYSA-N 368.481 2.932 0 50 FFAA O=C(O)COc1ccc(Cl)cc1CN1CCN(c2ccccc2)C(=O)C1 82134193 QSMDEHBNODATIP-UHFFFAOYSA-N 374.824 2.652 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)Nc3cc(F)ccc3F)C2)n1 426513771 WBIWMFCIRHRZPI-LLVKDONJSA-N 364.352 2.657 0 50 FFAA COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c(OC)c1 82106971 VWMFWWBRYVCPGQ-UHFFFAOYSA-N 374.824 2.846 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)n3C)C2)c1 426477595 QULAUAXNCIIXKW-INIZCTEOSA-N 370.449 2.634 0 50 FFAA COc1cc(F)c(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c(F)c1 92028524 KDHMNNHNYYUYCA-AWEZNQCLSA-N 368.424 2.690 0 50 FFAA CCc1ccccc1OC1CN(C(=O)NCc2cn3c(n2)SCC3)C1 426397676 YZZWELATTUIIPC-UHFFFAOYSA-N 358.467 2.524 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 95508405 ZRBJWNYGDIDSDH-HNNXBMFYSA-N 373.526 2.975 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2 96151312 CIOZXADZYQBYBB-SFHVURJKSA-N 355.438 2.673 0 50 FFAA CNC(=O)[C@@H]1CCCN(c2cc(N)nc(SCc3ccc(C)cc3)n2)C1 95352765 TWQGLVUECJMZIG-OAHLLOKOSA-N 371.510 2.622 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)on1 92062274 RLQJIWSFZICTOI-HNNXBMFYSA-N 365.437 2.897 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@H]2NC(C)=O)cc1 91656678 GAWWHEQTDLRJMP-FUHWJXTLSA-N 371.437 2.551 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1cc(C(F)(F)F)[nH]n1 97823117 SSTQUQGFQAOWGC-UHFFFAOYSA-N 362.421 2.518 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1ccc(-n2cccn2)cc1 96139146 DOSWCUCVWCBMER-LJQANCHMSA-N 351.406 2.774 0 50 FFAA CCCN1CCC[C@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O 91526419 MNOXELVWYKEIBP-JOCHJYFZSA-N 371.525 2.748 0 50 FFAA O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ncc(Cl)cc1Cl 179906551 DPONSIIBUPKUJP-UHFFFAOYSA-N 373.203 2.727 0 50 FFAA CO[C@@H]1O[C@H]2CC[C@@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@@H]6[C@@H]7CC[C@H]8O[C@@H](OC)[C@@]([C@H]34)([C@H]5[C@@H]78)[C@@]612 247823614 FAGBTYMPISAHPZ-JOUQPKGQSA-N 356.462 2.519 0 50 FFAA O=S1(=O)CCC[C@H](NCc2cccc(Cn3cnc4ccccc43)c2)C1 182669034 VUYUDPDLFWCEPO-SFHVURJKSA-N 369.490 2.751 0 50 FFAA O=C(O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 299745946 UFKDTKSPSRUQJR-HOTGVXAUSA-N 353.374 2.576 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1C 39448025 DLNCQTVLRRVEQR-HXUWFJFHSA-N 356.514 2.589 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1[nH]c3ccccc3c1C)CC2 299776413 KNNCTDGEYKCBAF-ORYQWCPZSA-N 358.482 2.997 0 50 FFAA O=C1OCc2cc(NC(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)ccc21 299763548 WSRLGDAQGNCGAT-KRWDZBQOSA-N 367.405 2.965 0 50 FFAA CCCCc1ncc(CN2CCC(CNC(=O)c3cscn3)CC2)[nH]1 822884290 IPRUHGCPBPRLKE-UHFFFAOYSA-N 361.515 2.851 0 50 FFAA CCN1CCC(CNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CC1 584898479 QMVJVGOETKPBEL-OAQYLSRUSA-N 373.541 2.744 0 50 FFAA CC(C)CCOc1cccc(CCNC(=O)N2CCC(=O)NC[C@H]2C)c1 584895706 BFIUFPUCFCXDEE-MRXNPFEDSA-N 361.486 2.574 0 50 FFAA COc1nn(C)cc1C(=O)Nc1ccc(Sc2ncccn2)cc1C 1357171261 QDGFGARSNGPOJD-UHFFFAOYSA-N 355.423 2.931 0 50 FFAA Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc2n(n1)C[C@H](C)NC2 1353237122 JGXCJHHAFAZDHT-ZDUSSCGKSA-N 364.409 2.518 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N(Cc1ccccn1)C[C@@H]1CCCO1 952980386 KJMXZNVSKIPXJC-INIZCTEOSA-N 363.421 2.688 0 50 FFAA O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)c1cnc2ccccn2c1=O 952982632 QBHNBVFEMASCRZ-YJBOKZPZSA-N 365.408 2.975 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(OC)c1 1565511821 IQUJDYSDOYQDDY-ICSRJNTNSA-N 371.433 2.808 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCCO)c1 1565527778 FDJANNZHYMHMNT-PMACEKPBSA-N 355.434 2.558 0 50 FFAA CCc1nsc(N2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)n1 270554972 IBQVKZNCCFDKGE-INIZCTEOSA-N 372.494 2.567 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(C3CCCCC3)C2)C12CCOCC2 186465255 GLZUDJWDILUNBO-NZSAHSFTSA-N 364.530 2.731 0 50 FFAA Cc1cccc(OCCCCC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c1 170615521 AOVFQOZUYYWVSQ-UHFFFAOYSA-N 367.511 2.970 0 50 FFAA C[C@H](Cc1cccs1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 187340867 QZVVJZWFADZNGE-CYBMUJFWSA-N 364.492 2.678 0 50 FFAA N[C@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)C1CCCCC1 1506396493 UMSJYLFLGFGDJL-KRWDZBQOSA-N 357.458 2.715 0 50 FFAA CCc1nn(C)cc1NS(=O)(=O)c1cc(Br)sc1C 222860158 LHMUKUXPLLLKIO-UHFFFAOYSA-N 364.290 2.916 0 50 FFAA c1ccc(CC[C@]23CNC[C@@H]2CN(Cc2nc(-c4ccco4)no2)C3)cc1 1772709759 NFYRIYZZTRITOL-DYESRHJHSA-N 364.449 2.984 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN(C(=O)/C=C/c2ccccc2)CC1 1772708260 HBMROJNHRNFZTO-MDZDMXLPSA-N 367.449 2.608 0 50 FFAA CC(C)c1nnc(N2CCCN(C(=O)C[C@H]3CCCOC3)CC2)s1 1772814783 BHNWYGCUCGVCGY-CQSZACIVSA-N 352.504 2.517 0 50 FFAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 12005301 QUSXVEMDOQFVDZ-QGZVFWFLSA-N 374.444 2.651 0 50 FFAA COc1cccc(N2C(=O)CN(C(=O)COc3ccc(C)cc3)C[C@@H]2C)c1 12278447 ZEACXOMVZSJBIW-INIZCTEOSA-N 368.433 2.646 0 50 FFAA O=C1CCN(Cc2ccc3c(c2)CCO3)CCN1Cc1ccccc1F 14995184 IMCHATDYDGTFPO-UHFFFAOYSA-N 354.425 2.995 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 19939917 JPQGYNJVURIMNL-UHFFFAOYSA-N 368.433 2.866 0 50 FFAA O=C(Cc1cc(F)cc(F)c1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857712444 BAHYTPOMMQUSNU-HSALFYBXSA-N 372.415 2.838 0 50 FFAA O=C(c1ccncc1F)N1CCC(C2CCN([C@H]3CCOC3)CC2)CC1 1857718648 YRGSXBMERIBNHJ-KRWDZBQOSA-N 361.461 2.574 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@@H](N)C1CCCCC1)CC2 1857727428 QSZZUOZEUCAPNI-FQEVSTJZSA-N 366.509 2.922 0 50 FFAA COc1cc(-c2nccn2[C@H]2CCNC[C@@H]2O)c(Cl)cc1OC(C)C 1857736766 UWJSHPOEQJDELI-GJZGRUSLSA-N 365.861 2.895 0 50 FFAA CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1cccc2cccnc12 125457890 WPDPVZRCDQTYPO-SFHVURJKSA-N 370.478 2.808 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccc(C)cc1 236716898 OLKCOEHOGZWTKF-QZTJIDSGSA-N 360.454 2.808 0 50 FFAA O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(C(=O)O)cc1 238108079 BKYCXODIDXQSEZ-INIZCTEOSA-N 352.390 2.592 0 50 FFAA Cc1ccc2nc3c(cc(C(=O)N4C[C@@H](C)C[C@H](C)C4)n3C)c(=O)n2c1 12421555 CSSOAFINMPTMBM-KBPBESRZSA-N 352.438 2.613 0 50 FFAA CCOc1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1CO 253385560 TUGYOMNWXRYLRL-MOPGFXCFSA-N 355.434 2.878 0 50 FFAA CCOc1c(Br)cc(C(=O)N2CCC[C@@H]2C(=O)O)cc1OC 263296881 MNEUDQLXZDAMPT-LLVKDONJSA-N 372.215 2.546 0 50 FFAA CC[C@@H](NC(=O)c1cc(O)nc(C2CC2)n1)[C@H](O)c1c(F)cccc1F 847593314 ALZFYXQQHRXZRB-WBMJQRKESA-N 363.364 2.580 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCN2)c1 870148068 MIFQUKITRPRXQR-HNNXBMFYSA-N 365.355 2.896 0 50 FFAA C=CC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc3nc(C)sc3c2)C12CCC2 1875386057 IAZZRCVNPTWTKA-HZPDHXFCSA-N 355.463 2.948 0 50 FFAA Cc1ccccc1[C@H](OC[C@H](O)Cn1cncc(F)c1=O)c1ccccc1 1875309548 BVEWWOBBMJVIIO-YLJYHZDGSA-N 368.408 2.858 0 50 FFAA O=C(O)c1ccc(F)c2c1CCN(C(=O)C13C[C@@H]4CC(C[C@H](C4)C1)O3)C2 1875300655 MIEFXTRTTVVYNC-TWABTFKJSA-N 359.397 2.756 0 50 FFAA Cc1[nH]c2c(C(=O)NCc3nnc([C@@H]4CCCOC4)o3)cccc2c1C 886095474 XPXZXFOXUCDAQV-CYBMUJFWSA-N 354.410 2.992 0 50 FFAA CN1CCC[C@@H](CNc2ncnc3cccc(F)c23)[C@@H]1c1cncn1C 886041401 QQRRCYXVJCXDRS-SCLBCKFNSA-N 354.433 2.997 0 50 FFAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC[C@H]1CCCO1 4492488 LNBRMIJBDMTZQS-RDTXWAMCSA-N 374.437 2.826 0 50 FFAA CC(C)c1nc(CN(C)C(=O)CCC[C@@H]2NC[C@@H]3CNC[C@H]2C3)cs1 2100540578 MBHJQUURWULPBY-UXLLHSPISA-N 364.559 2.593 0 50 FFAA COc1ccc([C@@H]2CCN(CCC(=O)N3CCc4sccc4C3)C2)cn1 2325751758 CQUBQGKXFYLVPR-MRXNPFEDSA-N 371.506 2.916 0 50 FFAA Cc1ccccc1[C@H](CN(C)C)NC(=O)c1ncoc1[C@@H]1CCCCN1 2325801840 YBQCLFNVRQPQEM-IRXDYDNUSA-N 356.470 2.830 0 50 FFAA Cc1ccccc1Oc1ncc(S(N)(=O)=O)c(C)c1Br 2325841410 SVVILDWJDHJWTE-UHFFFAOYSA-N 357.229 2.901 0 50 FFAA Cc1cccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)c1O 871865 FOUFSJVHYLOXQS-INIZCTEOSA-N 365.311 2.597 0 50 FFAA O=C1C[C@@H](C(=O)Nc2ccccc2)N=C(Nc2nc3ccccc3s2)N1 1178895 ZJROFLNPYQHUQA-ZDUSSCGKSA-N 365.418 2.591 0 50 FFAA O=C(CCCc1nc2ccccc2s1)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356154930 PZKBPALRSPCUIK-URYASSDKSA-N 372.490 2.617 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)C(C)(C)Oc1cc(C)ccc1Cl)C2 2356168039 NBCOGPOMYABOLI-LIRRHRJNSA-N 367.873 2.927 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)CC1 6742235 PMDQKGUKRVSLDM-WXDAQCLHSA-N 370.493 2.776 0 50 FFAA O=C(O)COc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 55413989 XBLUINGJMCYSJD-SFHVURJKSA-N 356.422 2.726 0 50 FFAA CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1 9873457 ICRBBJNRCFSFEO-DOTOQJQBSA-N 352.500 2.701 0 50 FFAA COc1ccc(C(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1 67613439 OJWQCVQJJQCKFP-UHFFFAOYSA-N 369.469 2.626 0 50 FFAA COc1ccccc1CN1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 20256222 FZLZLSBGPROVOM-FQEVSTJZSA-N 358.457 2.903 0 50 FFAA Cc1c(-c2nnc(SCC(=O)O)n2[C@H](C)c2ccccc2)cnn1C 67675631 HHHICFQLVOUQAY-LLVKDONJSA-N 357.439 2.773 0 50 FFAA COc1ccc(S(=O)(=O)NC(=O)/C=C/c2cnc(C)s2)c(C)c1C 117539592 XJKXMZFGHPFJSD-VMPITWQZSA-N 366.464 2.595 0 50 FFAA C[C@@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1cn2ncsc2n1 67739623 KDQHVNGORGMHQX-LLVKDONJSA-N 368.422 2.584 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H](C1)C2=O 306356023 CZTAMWNCYHUMJO-IYBDPMFKSA-N 374.437 2.691 0 50 FFAA O=C(O)c1nn2cc(-c3ccccc3CN3CCOCC3)cnc2c1Cl 67956243 CZIBNHDCBPRQRB-UHFFFAOYSA-N 372.812 2.580 0 50 FFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NCc3ccco3)nc2)C1 67787607 PKOOKWOMZKSEML-INIZCTEOSA-N 356.470 2.994 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)c(O)c1 72166856 UOQYUZVQVLINQX-QGZVFWFLSA-N 366.465 2.869 0 50 FFAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1ccc4nnc(-c5ccccc5F)n4n1)C[C@@H]3C2 253418305 OEDPIDONVMRUAO-BCGVMYJISA-N 365.412 2.790 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCO1 238198664 NPERHMOJDHGNRJ-OAHLLOKOSA-N 361.344 2.948 0 50 FFAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3ccn(C(F)F)n3)CC[C@H]21 72406801 CBRFVFXIFDYZRC-DZGCQCFKSA-N 368.428 2.777 0 50 FFAA Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NCCc1ccc2c(c1)OCCO2 363923230 SIJQZSSXGRIHBY-KRWDZBQOSA-N 370.453 2.589 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 124753589 XDWMFKBEHUZJHN-QGZVFWFLSA-N 365.836 2.727 0 50 FFAA C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)c1ccc(Br)s1 331282204 VNGRSTQEZKSQFE-RKDXNWHRSA-N 354.291 2.670 0 50 FFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)CCn1c(C)csc1=O 331595698 VBKLZPVQICFWPB-LLVKDONJSA-N 374.388 2.654 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71681685 ACFHOROEBIJULP-IOMROCGXSA-N 373.460 2.660 0 50 FFAA CC(=O)c1cc(CN2CCN(C(=O)COc3ccccc3)CC2)cs1 219328375 OMRKQFFNPJLMFH-UHFFFAOYSA-N 358.463 2.674 0 50 FFAA Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cnn(-c2ccccc2)c1C 126966742 ALLLBJFRZWDPKM-UHFFFAOYSA-N 352.369 2.979 0 50 FFAA COc1cccc([C@H]2CN(CCCn3ccnc3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72167270 QPGICYKULJODGP-YPAWHYETSA-N 366.509 2.844 0 50 FFAA c1cn2c(n1)CC[C@H](NCc1csc(-c3ccc4c(c3)OCO4)n1)C2 371573334 SRECKLKAQJGCAI-ZDUSSCGKSA-N 354.435 2.840 0 50 FFAA CC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)[nH]n1 72428873 NLUTVRHYYOWODJ-GFCCVEGCSA-N 369.450 2.621 0 50 FFAA C[C@@H]1CCCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)[C@H]1CN 237521101 XWDGTODBGPJCOX-DOMZBBRYSA-N 373.478 2.781 0 50 FFAA COc1ccc(/C=C/CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1 77287536 MSEFWDLLOANCLR-AATRIKPKSA-N 369.513 2.778 0 50 FFAA Cc1ccc(Cn2c(CN3CCC[C@@](O)(CO)C3)nc3ccccc32)cc1 72409411 BQKAJAHXLNWIOY-QFIPXVFZSA-N 365.477 2.712 0 50 FFAA CCc1nnc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)s1 72480681 MEIQQISSYYCNEO-IBGZPJMESA-N 371.510 2.905 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 238016458 PTKKUIDMXRPKQS-XAVKZTDYSA-N 353.422 2.989 0 50 FFAA CC(C)OCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 82115422 AXEODIBJPJXSSA-JOCHJYFZSA-N 372.509 2.885 0 50 FFAA CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC2CCC(C)(C)CC2)c1 174652320 KZXISCBBMMMGFB-ZDUSSCGKSA-N 367.515 2.924 0 50 FFAA C[C@H](NC(=O)c1ccccc1OCCN(C)C)c1nc(C(C)(C)C)no1 174672016 VCIZIZZQLFZNMN-ZDUSSCGKSA-N 360.458 2.799 0 50 FFAA CNC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CCNCC4)C3)cc2)o1 426615025 DBWFYYAHQSSZLM-UHFFFAOYSA-N 367.449 2.522 0 50 FFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 221526163 HWTUKDWYHZKAKP-ZTCHHREXSA-N 371.746 2.912 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)s1 82091739 BLBKUAQNNBPJKD-HNNXBMFYSA-N 350.484 2.668 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cnc(-c2ccncc2)nc1 95358055 PLWPRLOIPFIGSH-LJQANCHMSA-N 370.416 2.906 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)c2coc(CN3CCOCC3)c2)no1 95374216 DFYCWRSOIMERME-SFHVURJKSA-N 359.426 2.776 0 50 FFAA NC(=O)Cn1ccnc1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 95504279 AVHVPHDYMCGRQY-UHFFFAOYSA-N 366.387 2.767 0 50 FFAA Cn1ccnc1C[C@@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 178266821 CNBJKXDORMFQNR-KRWDZBQOSA-N 363.465 2.630 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)[nH]n2)cc1 91476037 XBOUWKZQDRJQBO-ZDUSSCGKSA-N 353.426 2.717 0 50 FFAA O=C(c1ccc2nccn2c1)N1CCN(Cc2ccccc2Cl)CC1 178311004 LHCUNEZWFDXXMI-UHFFFAOYSA-N 354.841 2.946 0 50 FFAA CCc1cnc(C)nc1N1C[C@@H](C(=O)O)[C@H](c2cccc(OC)c2OC)C1 91255388 RGAAKOZRRJLNOY-JKSUJKDBSA-N 371.437 2.669 0 50 FFAA Cc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)c2cccnc12 91847480 XFLYOSKKOMOZCE-UHFFFAOYSA-N 367.493 2.740 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)CN2CCN(c3ccccc3C)C(=O)C2)cc1 91574215 JYTICJPMYCRTMK-GOSISDBHSA-N 365.477 2.829 0 50 FFAA COc1cccc2c1OCC(CN1CCC[C@@]3(CC1)CN(C)C(=O)O3)=C2 97742735 XDKASIVARLDNII-HXUWFJFHSA-N 358.438 2.778 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ncnn1C 91486733 AAJNNKLNEATYOY-KRWDZBQOSA-N 365.437 2.688 0 50 FFAA O=C([C@H]1CCOc2ccccc2C1)N1CCCN(Cc2cccnc2)CC1 95504015 YSNUHQSNNVOLSE-FQEVSTJZSA-N 365.477 2.757 0 50 FFAA CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(C)o2)c1 95366963 BFSKRPSMOFUUBZ-CYBMUJFWSA-N 364.467 2.637 0 50 FFAA CCCc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)cs1 92078748 ZMXCMUOKPMCHII-LSDHHAIUSA-N 373.526 2.864 0 50 FFAA Cc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc(C)n1 253378360 CIWRWKCTJPLALI-IMFGXOCKSA-N 352.434 2.875 0 50 FFAA Cn1c(C(=O)N2CC[C@@H](CN)C2)ccc1-c1cccc(Br)c1 299739581 QIAOIUOEZXAGFY-LBPRGKRZSA-N 362.271 2.875 0 50 FFAA CCOc1cc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1OC 265184382 XEULZHMINFMIPK-KRWDZBQOSA-N 361.486 2.864 0 50 FFAA Cc1ccccc1[C@@]1(CC(=O)N2CCNC(=O)CC2)CCOC(C)(C)C1 299779592 SFUISCUEZDVJCZ-OAQYLSRUSA-N 358.482 2.560 0 50 FFAA Cc1cc(C(=O)NCc2noc(-c3cccs3)n2)c2c(C)noc2n1 560372485 YEJDZZRXOWYNEY-UHFFFAOYSA-N 355.379 2.881 0 50 FFAA CCCn1ncnc1-c1ccc(C(=O)NCc2cnc(SC)n2C)cc1 584888569 QPVPRFYJGLSQNY-UHFFFAOYSA-N 370.482 2.741 0 50 FFAA CC(C)n1ncnc1-c1ccc(C(=O)N(CCO)Cc2nccs2)cc1 584897219 SVTLNNNIRUXGQP-UHFFFAOYSA-N 371.466 2.617 0 50 FFAA CC(C)(O)c1cncc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1 584903169 NLNHIUSVMJUCDZ-UHFFFAOYSA-N 353.466 2.802 0 50 FFAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1074607404 ZANUPBFIRYLRLZ-RRFJBIMHSA-N 369.387 2.610 0 50 FFAA Cc1nc(-c2ccc(NC(=O)c3cnc(-c4ccncc4)nc3)cc2)n[nH]1 952872204 KQGMRYNHHHKCFG-UHFFFAOYSA-N 357.377 2.884 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 952973581 OJZNVSCMBCTJSA-GFCCVEGCSA-N 365.389 2.785 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 952981933 DVEAXIUCQOZEFL-ZDUSSCGKSA-N 372.918 2.916 0 50 FFAA CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2ncncc2Br)C1 269016570 OUVAACUOESLMGH-NWDGAFQWSA-N 355.280 2.760 0 50 FFAA Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2ncnn2CC(F)F)s1 278387587 AFYBLQKJUPBSKJ-SNVBAGLBSA-N 357.430 2.686 0 50 FFAA COc1ccc2c(c1NC(=O)N1CCN(c3ccccn3)CC1)CCC2 191352956 IGIKDDBKONYXGU-UHFFFAOYSA-N 352.438 2.933 0 50 FFAA COc1ccc(CN(C)Cc2ccc3nsnc3c2)cc1OCC(=O)O 1506405792 HQMXLDZLITZDLP-UHFFFAOYSA-N 373.434 2.795 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 1291755891 FVJMKJZDWZWEJX-UHFFFAOYSA-N 360.723 2.554 0 50 FFAA O[C@@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)C[C@H]1Cc1cnccn1 1529186526 GYHHLBQWUMEVOW-FOIQADDNSA-N 372.900 2.634 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)C(C)(C)OC)CC1)OCC2 1704360432 YEYLKUMBPKFDND-UHFFFAOYSA-N 363.454 2.519 0 50 FFAA CNC(=O)CC[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1704307605 BZWOCGMNUOLMCM-CYBMUJFWSA-N 357.410 2.782 0 50 FFAA Cc1ncc(CNS(=O)(=O)Cc2cccc(Br)c2)s1 225834620 QXTFOZRIDVJVEA-UHFFFAOYSA-N 361.286 2.834 0 50 FFAA CN(C)c1nc(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)ncc1F 1772707545 WLYKIQVDZUDWJC-CQSZACIVSA-N 362.449 2.831 0 50 FFAA CC(C)N1C[C@H](CN2CCCN(Cc3cccc(F)c3)CC2)CCC1=O 1772815616 WURLRTJHEIWEOG-IBGZPJMESA-N 361.505 2.980 0 50 FFAA CCCC[C@@H]1CN(CCC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 11972777 WEBQYONKXAEYAY-LJQANCHMSA-N 370.497 2.912 0 50 FFAA O=C1CCCCN1c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 12002243 XZNWZPJMBLHGQF-UHFFFAOYSA-N 370.474 2.951 0 50 FFAA O=C(NCc1cccs1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12444452 XRHQORWPXRHNMY-UHFFFAOYSA-N 357.391 2.709 0 50 FFAA COc1ccc([C@@H]2C[C@@H](c3cc(OC)ccc3OC)n3nnnc3N2)cc1 13123448 JXTCSMVOHMBOSO-IRXDYDNUSA-N 367.409 2.845 0 50 FFAA Cc1ccc(-c2csc3ncc(C(=O)NC[C@@H]4CCCO4)c(=O)n23)cc1 16651819 RQLCLZWPWKWCPP-AWEZNQCLSA-N 369.446 2.640 0 50 FFAA CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 18250260 PECFOMDQSAZYEZ-UHFFFAOYSA-N 368.437 2.762 0 50 FFAA C[C@@H](c1ccccc1)N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 19880972 OZFMZIOAGPZXNE-SMDDNHRTSA-N 356.403 2.761 0 50 FFAA Cc1cn2nc(C(=O)NCc3ccc(F)cc3)cc2c(N2CCCC2)n1 169768717 NHYCCSHJOREERL-UHFFFAOYSA-N 353.401 2.707 0 50 FFAA Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)cc1C 1857527652 ZWJSWLZDNVVRMZ-BBWFWOEESA-N 368.437 2.560 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H]2CCn3nccc3C2)s1 1857710965 DSYIGZQQCIQNRO-CYBMUJFWSA-N 368.462 2.894 0 50 FFAA COc1c(C(=O)O)cc(-c2ccc(Cn3ccnc3)cn2)c(OC)c1OC 1875244278 PVSFTVXJOXZJOT-UHFFFAOYSA-N 369.377 2.717 0 50 FFAA O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1CCCCC1 5093180 LUZPBTOGGXRUOT-UHFFFAOYSA-N 363.508 2.968 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@H]2CC[C@@H](N)C2)CCOCC1 237267949 QQSXLLFWAKFIQD-DZGCQCFKSA-N 366.889 2.640 0 50 FFAA CCCN(CC)C[C@H](C)NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 253429486 SKBDATOWUSRFER-IRXDYDNUSA-N 366.550 2.587 0 50 FFAA CC(C)CC(=O)N1CCC(NC(=O)NCc2ncc(C(C)(C)C)o2)CC1 267006077 ZTVXSOQLTJBTQN-UHFFFAOYSA-N 364.490 2.808 0 50 FFAA CCc1nc(N)cc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1 952887529 RBPYBZFRNKMBIY-ZDUSSCGKSA-N 358.515 2.569 0 50 FFAA Cc1ccc(-c2noc(C[C@](O)(c3nccn3C)C(F)(F)F)n2)cc1F 1875339927 CSQARADEKUQJBI-HNNXBMFYSA-N 370.306 2.910 0 50 FFAA Cc1nc([C@H]2OCC[C@H]2CNCc2c(F)cccc2N2CCCC2)n[nH]1 888094491 VKXAHVPJPABIIZ-KSSFIOAISA-N 359.449 2.720 0 50 FFAA CCOC(=O)Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 1080860 LDXCWBDMNAFFQD-UHFFFAOYSA-N 356.357 2.621 0 50 FFAA CO[C@@H](C(=O)NC1CC(N(C)C(=O)C2(C)CC(F)(F)C2)C1)C1CCCC1 2325794904 WECVRZZESYGHET-YMAMQOFZSA-N 372.456 2.733 0 50 FFAA O=C(CC1CCC1)N[C@H]1CCC[C@@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325868231 SSFGCZDNHCZVTC-JKSUJKDBSA-N 359.470 2.828 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCOCC1 1028997 CXEGDLZFQDTDTR-UHFFFAOYSA-N 358.369 2.701 0 50 FFAA CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(N)=O 2311928 FEBUOIYLPGUNSJ-GFCCVEGCSA-N 363.738 2.539 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cnccn3)C2=O)cc1 2356150319 WWGZJHBVPCRNBE-FQEVSTJZSA-N 350.422 2.587 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cn1 2356169614 DZNMWENRXFYUOK-NRFANRHFSA-N 364.449 2.582 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2C(=O)c2ccccc2)C1 4035506 LOHCDRGRUVWSLV-QGZVFWFLSA-N 368.433 2.521 0 50 FFAA CCc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 7278758 QNRPSVNYXPORPR-UHFFFAOYSA-N 350.469 2.653 0 50 FFAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2ccc3c(c2)OCO3)C1(C)C 55308129 GUTQPYHMUKXDHP-VLIAUNLRSA-N 360.454 2.610 0 50 FFAA CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 55053304 WDKWHFJZLIWNGV-NRFANRHFSA-N 358.457 2.989 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(NCc3ccccn3)nc2)no1 67834276 NTHVNDVQQGBFJG-UHFFFAOYSA-N 352.398 2.525 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCO[C@@H](CCO)C3)c(C)o2)cc1C 67787304 JUGRXZGQZMZRBI-INIZCTEOSA-N 360.454 2.859 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)c2ccc([C@@H]3CCCN3)s2)CC1 20210403 WYFUPJMBRSSIGA-AWEZNQCLSA-N 373.478 2.754 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cc3n(n2)CCCN(C)C3)no1 65535511 CYWLBRSFLPQGEM-KRWDZBQOSA-N 357.458 2.807 0 50 FFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nnn[nH]1 65456767 RVPWKBHIGXSVBA-OAHLLOKOSA-N 352.398 2.705 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)no1 363086762 HSAIAYODJMALCD-MRXNPFEDSA-N 354.414 2.701 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@H]2CCCCC[C@H]2C(=O)O)CC1=O 252515786 NMCNKJXDSDPABR-DDBAPUKQSA-N 372.465 2.746 0 50 FFAA CN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328622005 AWEQGAXFLUHHIU-FXAWDEMLSA-N 352.486 2.811 0 50 FFAA O=C(NCC1CCC(C(F)(F)F)CC1)N1CCC[C@H](n2ccnn2)C1 425677382 FBEKEPHJAHGSSV-RUXDESIVSA-N 359.396 2.993 0 50 FFAA CCCN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71754753 NTVQJYUVTSKPHM-IBGZPJMESA-N 358.530 2.626 0 50 FFAA COCCc1noc(CN(C)C(=O)Nc2cc(Cl)cc3c2OCC3)n1 120769418 ODCGAWIFABCKAA-UHFFFAOYSA-N 366.805 2.511 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)NCc1ccc2nsnc2c1 77523903 TWKHZHSEHWTLLS-UHFFFAOYSA-N 365.418 2.990 0 50 FFAA O=S(=O)(NCc1nccnc1Cl)c1ccccc1C(F)(F)F 253431917 YLSVTJRFVHZCAN-UHFFFAOYSA-N 351.737 2.627 0 50 FFAA CC[C@@H](C)N(CC(=O)O)C(=O)c1csc(I)c1 123377824 USKRXDZLBUYIPD-SSDOTTSWSA-N 367.208 2.678 0 50 FFAA COc1ccc([C@H](NC(=O)CN2CCCCCC2=O)c2ccncc2)cc1 218935661 QCLXTPJQIVCXCD-NRFANRHFSA-N 367.449 2.698 0 50 FFAA Cc1oc(-c2ccccc2)nc1CN1CCN([C@H]2CCCN(C)C2)CC1 369352268 CTFIFCJFNJKHPM-IBGZPJMESA-N 354.498 2.862 0 50 FFAA CCOC(=O)c1cccc(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)n1 77300593 GDQYKHFUYZSUJS-OAQYLSRUSA-N 371.481 2.877 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccccc3Cl)CC[C@H]2N1CCCCO 72457321 HFUUTYKNQSVQSJ-FUHWJXTLSA-N 350.890 2.925 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1 238104365 OUAFEDIYTWENKY-UONOGXRCSA-N 371.355 2.901 0 50 FFAA Cc1ncsc1CCCNC(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 215413916 LRFFQUDNIMRRTR-LLVKDONJSA-N 356.451 2.541 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)c1 72421326 QSSBCYZORUSZQN-SFHVURJKSA-N 358.482 2.521 0 50 FFAA CCCO[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1 72171118 JLCOLEWLFQFCIP-HNNXBMFYSA-N 352.442 2.821 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@@H](C(N)=O)C(=S)N1 85376198 VYAIJMODADYJEZ-HNNXBMFYSA-N 357.479 2.882 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1NS(C)(=O)=O 173450432 OXBGUZKRSDUTRP-UHFFFAOYSA-N 364.389 2.781 0 50 FFAA O=C(c1ccccc1O)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 174612319 ZRYWPNZMKGTXRB-UHFFFAOYSA-N 362.433 2.536 0 50 FFAA C[C@@H](Cc1cccs1)NC(=O)N1CCC(N2CCSCC2)CC1 426584125 UFSBIECMVFYNNS-AWEZNQCLSA-N 353.557 2.902 0 50 FFAA C[C@@H](C[S@](C)=O)NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 288054215 FUVLDFZXOFLQMI-VDBVYFBLSA-N 365.474 2.963 0 50 FFAA O=C(NCC(c1ccccc1)c1ccccc1)NC[C@@H](O)CN1CCCC1 426491044 MFYSSJHBJFXZJS-HXUWFJFHSA-N 367.493 2.574 0 50 FFAA O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(-c2ccccc2)[nH]n1 177413998 OHBCXUCRYJAPNE-UHFFFAOYSA-N 352.438 2.646 0 50 FFAA O=C(NCCc1nc2ccccc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1 91594538 HPYFHYPLWNADDX-CYBMUJFWSA-N 357.479 2.746 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(C)c1C 239274939 AYZQVILEIMQFPH-FKAIMOKRSA-N 364.445 2.667 0 50 FFAA O=C1CCCCCN1CC(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 97797482 FATDYMVMEPRYRJ-UHFFFAOYSA-N 370.428 2.503 0 50 FFAA O=C(Nc1ccc(-n2ccnc2)cc1)NC1CCN(C[C@H]2CCCO2)CC1 96131713 DHUOHRZIUPYAOM-LJQANCHMSA-N 369.469 2.637 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 91663358 UBWMAQAOVFEQPD-UHFFFAOYSA-N 356.470 2.615 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCOc2ccccc2C1 95499903 VYTYZEGAISFDBV-LJQANCHMSA-N 372.509 2.779 0 50 FFAA O=C(c1ccccc1Cl)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 96135822 MGECZPNHLPSDBN-DJJJIMSYSA-N 362.857 2.741 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1cc(C)cc(C)n1)CC(=O)N2 91474565 WQBNWPGDERQHNK-QGZVFWFLSA-N 353.422 2.791 0 50 FFAA CN(C)[C@@H](C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1 95378883 DBNMBEIRUBRROE-MRXNPFEDSA-N 362.474 2.802 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 91625700 OTOIVZNWPLNJFF-OAQYLSRUSA-N 353.466 2.900 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(CCC(=O)Nc3cccnc3)C2)n1 244741835 NXVHZEGNCQMWQL-HNNXBMFYSA-N 357.458 2.871 0 50 FFAA COc1ccccc1CNC(=O)CCN1CCC(c2ccnc(C)n2)CC1 244659865 HKBNQMQPULNHRP-UHFFFAOYSA-N 368.481 2.680 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCSc2ccccc21 294276501 SQTHSLBUFZWVEO-FMKPAKJESA-N 360.479 2.843 0 50 FFAA O=C(c1ncoc1C1CC1)N1CCOC[C@H]1c1nc(-c2cccs2)no1 294648786 KSFVPTFZOREHIR-NSHDSACASA-N 372.406 2.877 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)N(C)CC3CCOCC3)n2)cc1 534581642 YOUDNENXIFROMB-ZDUSSCGKSA-N 374.441 2.874 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1cc2n(n1)C[C@@H](c1ccc(F)cc1)OC2 263618021 QWXSWKVDSTVZKK-SFHVURJKSA-N 369.400 2.564 0 50 FFAA C[C@H](NC(=O)c1cc(F)ccc1OCCCN)c1nc2ccccc2n1C 299791982 HFESMZAZBMJALO-ZDUSSCGKSA-N 370.428 2.931 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 828075363 MNRCGJQLQSZUEU-INIZCTEOSA-N 356.422 2.743 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)c1cnc(-c2ccccn2)nc1 828199712 OWUWCHHZZJQURD-UHFFFAOYSA-N 363.425 2.565 0 50 FFAA CSCCN1CCN(C(=O)NCc2cccc(OC(C)C)c2)CC1 584894999 QWRNSWYYTGTFQQ-UHFFFAOYSA-N 351.516 2.664 0 50 FFAA COC[C@@H]1[C@H](NC(=O)COc2ccc(Cl)cc2Cl)[C@H]2CCO[C@@H]12 1074567147 NDTPRFBNSRVIRB-HOJOPBEUSA-N 360.237 2.538 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(C3CCOCC3)C2)c1 952976551 MYHVGALOKWYJRX-KRWDZBQOSA-N 373.497 2.574 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2=CCCCC2)no1 275799147 UPQYIEZHLQQZID-HOTGVXAUSA-N 350.438 2.639 0 50 FFAA Cc1nn(C)c2ncc(CN3CCC(NC(=O)c4ccccc4)CC3)cc12 194025964 HAXRULXTRDJFIE-UHFFFAOYSA-N 363.465 2.671 0 50 FFAA COc1ccc(C)cc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615950760 ZPPZRVSRAUEIQD-ICSRJNTNSA-N 366.461 2.902 0 50 FFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccccc1 1159546 UYUBLBJIJZMCAU-JXMROGBWSA-N 356.403 2.920 0 50 FFAA Cc1nn(C)c(NS(=O)(=O)c2cc(Br)sc2C)c1C 128161543 MAIVYQOEWFGCMW-UHFFFAOYSA-N 364.290 2.970 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1c[nH]c2ccccc12 1704326403 CFBHCUYCQVNLLN-UHFFFAOYSA-N 353.470 2.722 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704297519 BOFXUGUUTIKJJY-MSOLQXFVSA-N 353.484 2.973 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3nc(-c4ccco4)no3)C1)CC2 1704298306 GPBCNUGERXCQPS-IBGZPJMESA-N 351.410 2.908 0 50 FFAA Cc1cnc(CN2CCCN(C(=O)COc3ccc(C)c(C)c3)CC2)cn1 1772709571 LDRNTVZLWDDAKW-UHFFFAOYSA-N 368.481 2.515 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)c2c1 1775983334 VVVCISCAJMPMPL-KRWDZBQOSA-N 368.433 2.805 0 50 FFAA CC(C)c1cc(NCCNS(=O)(=O)c2ccc(Cl)cc2)ncn1 1772702372 BJZNOEBLTGCICZ-UHFFFAOYSA-N 354.863 2.644 0 50 FFAA CCc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 5127376 IMFLGKWEMKLGLH-UHFFFAOYSA-N 360.479 2.674 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)CN2CCCCC2=O)C1 12194425 FUCNTJATPSEBPD-OAHLLOKOSA-N 372.513 2.916 0 50 FFAA CCOC(=O)N1CCC(N2C(=O)CC[C@H]2CCNCc2ccccc2)CC1 12218942 UPEIMYPWVQQICW-SFHVURJKSA-N 373.497 2.778 0 50 FFAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)c3cnsn3)C2)cc1 12440252 NEGQVQZZATYPKR-MRXNPFEDSA-N 374.510 2.573 0 50 FFAA CCc1ccccc1NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 13119403 QWJZBGURQRFJGO-UHFFFAOYSA-N 361.448 2.983 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCN1CCOCC1 19301015 HOLNUEFRVFDMRG-IBGZPJMESA-N 356.441 2.796 0 50 FFAA COc1ccc(CN2CC(=O)N(Cc3ccccc3)C[C@@H](OC)C2)c(F)c1 19850907 HQQDUQGNIHQVEZ-IBGZPJMESA-N 372.440 2.694 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)COc2cc(C)ccc2C(C)C)CC1 19867759 PLSWHJDULMKPBA-KRWDZBQOSA-N 364.486 2.632 0 50 FFAA CCCOc1cc(Cl)c(CN2C[C@@H]3CC(=O)N[C@@H]3C2)cc1OCC 1857672717 XZQSNFNUPKUUEV-DZGCQCFKSA-N 352.862 2.848 0 50 FFAA CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)[C@@H]1CCC(=O)NC1 332260616 DNKXDGNSLACYHN-BMIGLBTASA-N 365.271 2.715 0 50 FFAA O=C(N[C@H]1CCCc2occc21)[C@H](c1cccc(F)c1)N1CCOCC1 332869571 VGVPXMZSHBWJAI-HKUYNNGSSA-N 358.413 2.986 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cc1C(=O)O 237323208 PKWSVAODHWVNAX-GOSISDBHSA-N 368.433 2.674 0 50 FFAA O=S(=O)(NC1CCN(c2ccncc2Cl)CC1)c1ccc(F)cc1 267326996 BCHCNIHKWMOCHL-UHFFFAOYSA-N 369.849 2.821 0 50 FFAA O=C(c1conc1C1CC1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848534 OOMQIOOLHJWYDO-KGLIPLIRSA-N 353.426 2.813 0 50 FFAA CC1CCN(Cc2ccccc2CN=c2ccc(-n3ccnc3)n[nH]2)CC1 1875257471 MTTCBMJJCXLIQJ-UHFFFAOYSA-N 362.481 2.928 0 50 FFAA NC[C@@H](C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1)c1ccccc1Cl 1875291230 RWVVKRCNSICFSO-DOTOQJQBSA-N 374.868 2.975 0 50 FFAA Cc1nccc(N2CC[C@H](CCNC(=O)c3cccc4c3CCC4)C2)n1 1875303082 UXFDAVDCUIRCBS-INIZCTEOSA-N 350.466 2.920 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@H](O)C(F)(F)F)cc2)CC1 1875366902 WNSOGCDPXMZVQO-HNNXBMFYSA-N 356.344 2.645 0 50 FFAA CNC(=O)C1(NC(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(F)F)CC1 1875301690 PXJXPRDMNUVPJS-JTQLQIEISA-N 365.302 2.589 0 50 FFAA COc1nc(C)cc(N2CC[C@]3(CCCC[C@H]3NC(=O)[C@@H]3C[C@H]3C)C2)n1 1875408253 ROHCSPHPLSWRGH-KHTYJDQRSA-N 358.486 2.705 0 50 FFAA CC1(c2cc(C(=O)N[C@@]34CCC[C@@H]3N(C(=O)C3CC3)CCC4)no2)CC1 1875404997 IXABHSUSGOFJBQ-MGPUTAFESA-N 357.454 2.780 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 886088668 HVFLMKXKIMFFFQ-AAVRWANBSA-N 352.316 2.562 0 50 FFAA COc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 2325785971 WKMBHMUIHDFZTL-GDIGMMSISA-N 365.433 2.614 0 50 FFAA CC(C)c1occc1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1(C2CC2)CC1 2325794675 MOUXEDLJNHSIAH-JKSUJKDBSA-N 360.454 2.597 0 50 FFAA N[C@@H](Cc1ccoc1)C(=O)Nc1ccc2c(c1)ncn2CC(F)(F)F 2325808318 QGFAHQAROLWQCS-LBPRGKRZSA-N 352.316 2.700 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1 2325883629 UTNSYVIAESCDTA-UHFFFAOYSA-N 354.387 2.821 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(n3ccc(C)n3)CC2)cc1 2325890061 ZJRIPWFKFXINLB-UHFFFAOYSA-N 352.438 2.818 0 50 FFAA O=C(CNc1ccc(O)cc1)OCC(=O)c1ccc(Br)cc1 823761 PFXATLACIVJIPQ-UHFFFAOYSA-N 364.195 2.993 0 50 FFAA CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 1170957 IDTJBFFJYQWZDC-UHFFFAOYSA-N 357.841 2.980 0 50 FFAA COc1cccc(C2=NN(C(=O)c3ccccn3)[C@@](O)(C(F)(F)F)C2)c1 1214363 KRNLNANHHTXJDF-INIZCTEOSA-N 365.311 2.591 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)nc1 2356148285 PAFBTYUFFRFUDG-UHFFFAOYSA-N 372.446 2.634 0 50 FFAA COc1ccc(CCNS(=O)(=O)c2ccc(SC)cc2)cc1OC 3016958 CUVWYLYZGIFSMJ-UHFFFAOYSA-N 367.492 2.947 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 4019128 MAVGXAKPWNROPG-GHMZBOCLSA-N 362.451 2.721 0 50 FFAA COCC1(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CCC1 225720547 CAKWDICRDIVXFI-UHFFFAOYSA-N 362.514 2.642 0 50 FFAA CC(=O)Nc1cccc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 55154685 FBOAMZPCFKBCBU-LJQANCHMSA-N 353.422 2.861 0 50 FFAA CSc1ncc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)cn1 55254155 YJXVYTXCYXUKRW-HNNXBMFYSA-N 352.467 2.946 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)on1 53401588 WLQATOXEAPHTHX-GFCCVEGCSA-N 355.316 2.527 0 50 FFAA Cc1ccc(-c2cnn3c(NCCN4CCOCC4)cc(C)nc23)cc1 20533562 TTXRFTWSQJSQCD-UHFFFAOYSA-N 351.454 2.757 0 50 FFAA O=c1cc(C2CCN(Cc3cccn3-c3ccc(Cl)cn3)CC2)nc[nH]1 23619947 ZVGJJXXTJQRSHN-UHFFFAOYSA-N 369.856 2.989 0 50 FFAA O=C(Cn1ccc2ccc(F)cc21)N1CCN(CCc2ccccn2)CC1 20727683 GXPHVYYAFVQGOS-UHFFFAOYSA-N 366.440 2.562 0 50 FFAA O=C1C[C@@H](COCc2ccccc2)c2ccc(N3CCNC3=O)cc2N1 65388215 CRTNCOYNQQXKOY-HNNXBMFYSA-N 351.406 2.859 0 50 FFAA Cc1ccc(NCCCNC(=O)c2n[nH]c(N)c2-c2ccccc2)nc1 219065282 JXFJJRLLNAXJBF-UHFFFAOYSA-N 350.426 2.594 0 50 FFAA Cc1nnc([C@@H]2COCCN2C(=O)Cc2cccc(Cl)c2Cl)o1 279768188 PZKULWPNMFDADY-LBPRGKRZSA-N 356.209 2.827 0 50 FFAA c1ccc(OC2CN(Cc3cccc(OCCN4CCOCC4)c3)C2)cc1 215397711 HCSINBCRSNZKGS-UHFFFAOYSA-N 368.477 2.661 0 50 FFAA CCOc1cc(CNC(=O)N[C@@H]2CCN(c3ccccn3)C2)ccc1OC 120831736 HEXRDXGAMGZUGX-MRXNPFEDSA-N 370.453 2.567 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]3NCCC[C@]3(CO)C2)c(-c2ccccc2)o1 72134313 SULMCTPTQAPSOB-WIYYLYMNSA-N 354.450 2.832 0 50 FFAA O=C(Nc1ccccc1N1CCCC1)NC1(CO)Cc2ccccc2C1 363314573 YKMOVCSYZIQKQP-UHFFFAOYSA-N 351.450 2.938 0 50 FFAA COc1ccc(Cc2noc(-c3ccc(N4CCCNCC4)nc3)n2)cc1 72167078 HWOIHOXOGWDJFD-UHFFFAOYSA-N 365.437 2.531 0 50 FFAA CC[C@@H]1CN(Cc2nnc(C3CC3)o2)CCC(=O)N1Cc1ccccc1 71575641 PMYMGVYCASEECT-QGZVFWFLSA-N 354.454 2.960 0 50 FFAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCC(C)CC2)n1 39383643 LRATXRQSBGURDW-UHFFFAOYSA-N 368.485 2.762 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)cs1 77356512 JNJGWXUCINYJTF-UHFFFAOYSA-N 372.494 2.715 0 50 FFAA COc1ccccc1/C=C/C(=O)N(C)[C@H]1CS(=O)(=O)c2ccccc21 370937016 RHBGAEJQXFSVRZ-PCUGXKRQSA-N 357.431 2.695 0 50 FFAA Cn1cc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 72158930 PLSHJXPFMHNUHN-XUVXKRRUSA-N 358.436 2.761 0 50 FFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(c3cnccn3)CC2)n1 77521536 QGZKUSFSHRJNDM-UHFFFAOYSA-N 352.364 2.735 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3nc(C)nc(C)c3C)C2)o1 378170492 XBKPZMJJHVPKPU-INIZCTEOSA-N 357.458 2.580 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)Cc1cccc(O)c1 77504730 JBCYRCOCQZVNQM-ZDUSSCGKSA-N 358.825 2.852 0 50 FFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 71662824 WPHAIGUXIVDENY-ZDUSSCGKSA-N 362.376 2.844 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccsc3)ccc21 77425298 UZIOKIKLKBETLG-UHFFFAOYSA-N 359.451 2.700 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CCCCCN3C)CC2)OC1=O 77407761 YXGPNZLKSSKEQM-KRWDZBQOSA-N 365.518 2.720 0 50 FFAA COCCn1cncc1CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 72170236 VMDIUDQOWVQZTO-HNNXBMFYSA-N 350.413 2.884 0 50 FFAA CC[C@@H]1CN(CC(=O)N2CCCCC2)CCC(=O)N1Cc1ccccc1 71761438 OMMZUKVTCOLRDR-LJQANCHMSA-N 357.498 2.512 0 50 FFAA CCCN1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CC1 240551399 GTKZVRGCQBUGFU-UHFFFAOYSA-N 362.499 2.567 0 50 FFAA Cc1cc2occ(CC(=O)N3CCC(c4nc(N)n[nH]4)CC3)c2cc1Cl 426361258 JZAHZUDQCYPMDE-UHFFFAOYSA-N 373.844 3.044 0 50 FFAA CCNc1ccnc(-c2cccc(C(=O)NCCCc3ccco3)c2)n1 426573321 UCFZZAXERZVRIU-UHFFFAOYSA-N 350.422 3.531 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nccn2C(C)C)C1 95373169 HFCXSFJJFHCSNJ-AWEZNQCLSA-N 352.460 2.637 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)COCc2nc3ccccc3[nH]2)n1 91738121 XDWVQVNOZFYOPW-HNNXBMFYSA-N 369.425 2.950 0 50 FFAA c1cc2c(cc1CN1C[C@H]3CC[C@@H]1CN(C1CCOCC1)C3)OCCO2 95362184 PBWUREQOZFFPBI-IEBWSBKVSA-N 358.482 2.533 0 50 FFAA COc1ccc(NC(=O)NC[C@@H](c2ccccc2C)N(C)C)cc1C(N)=O 426746350 VDYMBLMLNCOPIR-KRWDZBQOSA-N 370.453 2.527 0 50 FFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)c3ccc(C)s3)C[C@H]21 95378189 OCOZZDYCBNVAQZ-AUUYWEPGSA-N 373.430 2.768 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCCc1cn[nH]c1 91547899 PGPMVMBZIBPWSK-CYBMUJFWSA-N 350.426 2.770 0 50 FFAA O=C(CCc1cn2ccccc2n1)NCCN1CC[C@@H](c2ccccc2)C1 97098988 PTKREEKTPAQKRV-LJQANCHMSA-N 362.477 2.873 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cc2c1 91624899 AYXBDUMLXINCMR-ZHRRBRCNSA-N 370.493 2.836 0 50 FFAA CC1(C)C(=O)Nc2cc(C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)ccc21 293758924 JVFXRSAYZJPVAJ-LLVKDONJSA-N 369.387 2.530 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC(c3nccn3CCCN(C)C)CC2)n1 95528534 UKPLIZAYGRTECE-UHFFFAOYSA-N 371.485 2.620 0 50 FFAA COc1cccn(CC(=O)N2CCC(CCc3ccccc3)CC2)c1=O 95513369 IKGOSLXFYPWHOE-UHFFFAOYSA-N 354.450 2.728 0 50 FFAA CN1C[C@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)Oc2ccccc21 97529053 URMBVTRHQZTHDB-LJQANCHMSA-N 370.424 2.533 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)Cc1ccc2nsnc2c1 244773995 PKIRBLYMZIPUFK-UHFFFAOYSA-N 374.495 2.881 0 50 FFAA O=C(C[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCc1ccccn1 252537404 LBKJTTSOPMWVEA-QGZVFWFLSA-N 374.400 2.571 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccccc4F)c3CO2)cc1 263619582 ZJEXGAJQINDCTF-QGZVFWFLSA-N 368.368 2.950 0 50 FFAA C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2n[nH]c(N(C)C)n2)c1 299760515 VGCHRBHQDSZSLL-ZDUSSCGKSA-N 350.426 2.766 0 50 FFAA Cc1nc2cc(CC(=O)N3CCC4(CCC(=O)N(C)CC4)CC3)ccc2[nH]1 299773108 AMRBBAJHVMSUMD-UHFFFAOYSA-N 368.481 2.665 0 50 FFAA CCc1cc(N2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)ncn1 299801851 YBHPPKROZMWDHN-UHFFFAOYSA-N 368.485 2.772 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 584889056 WNQIZFBLTLHVDV-OAHLLOKOSA-N 371.460 2.983 0 50 FFAA COc1ncnc(C)c1-c1ccc(C(=O)NCCc2nnc(C)s2)cc1 584900868 OSKUUSLMPQCHOK-UHFFFAOYSA-N 369.450 2.593 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1C 827758113 KFYLGQZOCDBICE-UHFFFAOYSA-N 371.437 2.596 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2ccc(O)nc2)cc1 1073339499 PQXQJFOEGPLCAD-AEFFLSMTSA-N 367.449 2.532 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCN(c2ccccn2)C1 670471245 YUJWHEHPPKONOD-HNNXBMFYSA-N 353.470 2.606 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)C[C@@H](C)n2cccn2)c1 952863699 VWCKFVGCXIEOLR-LLVKDONJSA-N 350.806 2.711 0 50 FFAA Cc1nc2cc(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)ccc2s1 1565516694 OIOMLPIKPKRBAI-HOCLYGCPSA-N 369.446 2.966 0 50 FFAA CCCOc1c(CN2CCS(=O)(=O)C[C@@H](C)C2)cccc1OCC 192068319 SXWOIHUBOIJAMO-HNNXBMFYSA-N 355.500 2.741 0 50 FFAA Cc1ccc(S(=O)(=O)n2ccc3nc(Br)cnc32)cc1 40448943 UMZKBENCNNDLRF-UHFFFAOYSA-N 352.213 2.739 0 50 FFAA in-vitro Cc1ccccc1N1CC[C@@H](CNc2cc(N3CCC(O)CC3)ncn2)C1 1529182259 ZTQIIJFMCGOBNP-KRWDZBQOSA-N 367.497 2.685 0 50 FFAA Cc1cc(N2C[C@H]3[C@@H](C2)C3(CO)CO)c2cc(C(F)(F)F)ccc2n1 1772806474 YNFCIIZUZULWEL-OKILXGFUSA-N 352.356 2.599 0 50 FFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@@H]1CC(=O)N1CCCCCC1 16651221 CWEUUDIXDHWEOL-INIZCTEOSA-N 352.438 2.911 0 50 FFAA COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 19551565 IRRCLDKLZHGWIK-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA Cc1noc(C)c1CCCNC(=O)c1ccc(N2CCSCC2)nc1 19837208 BYEXQNSDXDANCN-UHFFFAOYSA-N 360.483 2.602 0 50 FFAA CCOc1cc(=O)n2c(c1C(=O)Nc1cc(OC)cc(OC)c1)CCCC2 169752942 HUJQGKFHUBWFQF-UHFFFAOYSA-N 372.421 2.853 0 50 FFAA Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cs1 1857678384 XATALLTVWTZOLY-NSHGMRRFSA-N 356.491 2.979 0 50 FFAA CCCc1nc(C)cc(=N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)[nH]1 1857718711 PSENVBYOYHWBPQ-GBESFXJTSA-N 352.482 2.786 0 50 FFAA COCCn1nnc([C@H]2CN(CCC3=C(C)CCCC3(C)C)CCO2)n1 1857736602 NVEMKPKJHOTILF-QGZVFWFLSA-N 363.506 2.610 0 50 FFAA O=C(NC[C@@H]1Cc2ccccc2O1)c1[nH]nc(C2CC2)c1Br 115942017 AQBXSALSVPAICH-NSHDSACASA-N 362.227 2.783 0 50 FFAA O=C(NC1CC1)c1ccc(C(=O)N2CCOc3ccc(F)cc3C2)cc1 330262752 VNSIEZRZFAZGKW-UHFFFAOYSA-N 354.381 2.753 0 50 FFAA O=C(c1cc2nccnc2cc1F)N1CCC(OC[C@H]2CCCO2)CC1 366341611 MCEMFAAKEIPRDO-CQSZACIVSA-N 359.401 2.569 0 50 FFAA CN(c1cc(C(F)(F)F)nc(-c2ccncc2)n1)[C@H]1C[C@@H](C(=O)O)C1 910475423 JRBYFVKKHKYJAX-PHIMTYICSA-N 352.316 2.857 0 50 FFAA CCn1nnc(C)c1C(=O)NCCc1cccc(Br)c1C 830556875 LPFTYBYUGQHDQC-UHFFFAOYSA-N 351.248 2.650 0 50 FFAA CN1CCN(c2ncc(C(=O)Nc3c(Cl)cccc3Cl)cn2)CC1 242973152 HOEWPWBTZOKTTK-UHFFFAOYSA-N 366.252 2.788 0 50 FFAA O=C(CC1CCCCC1)NCC(=O)N1CCC[C@H]2c3[nH]cnc3CC[C@H]21 2325781304 BQGDYLYOBLIGJB-NVXWUHKLSA-N 358.486 2.517 0 50 FFAA O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@@H]1CNC2(CC2)CO1 2325799349 PPFLBLLIFICUOD-PMACEKPBSA-N 366.461 2.812 0 50 FFAA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)NC1(Cc2ccc(F)cc2)CCCC1 2325828237 BRHMNOAVRQDXPT-MRXNPFEDSA-N 359.445 2.744 0 50 FFAA O=C(CN1CCCCC1)Nc1ccc(NC(=O)CN2CCCCC2)cc1 1029687 ZLXGFRQWXRBMBI-UHFFFAOYSA-N 358.486 2.535 0 50 FFAA CS(=O)(=O)N1N=C(c2ccc3nccnc3c2)C[C@H]1c1ccccc1 1077295 AXTNHNGAQXHFER-SFHVURJKSA-N 352.419 2.741 0 50 FFAA CCc1ccc(N2C(=O)c3ccc(C(=O)OCC(C)=O)cc3C2=O)cc1 1118796 AKHKFZXIBWYBKA-UHFFFAOYSA-N 351.358 2.795 0 50 FFAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1OC 1159251 CBYYBVGXYUFMMH-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA CC(=O)c1c(N2CCN(C)CC2)nc(=S)n(Cc2ccccc2)c1C 1186461 PEUKTWMUIUNJCN-UHFFFAOYSA-N 356.495 2.924 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)Cc2ccccc2F)C1=O 2356147880 VIHRFJZRCBMHTH-SFHVURJKSA-N 368.474 2.523 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356147942 ZNZYOOHVUHQSAN-LJQANCHMSA-N 357.410 2.567 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cncc(N)n2)cc1 2356163294 WVYQBSCISDTQLF-UHFFFAOYSA-N 364.453 2.866 0 50 FFAA COc1ccc(Cc2nnc(SCC(=O)Nc3ccccn3)o2)cc1 7455682 LASDSXQSNNNBMU-UHFFFAOYSA-N 356.407 2.795 0 50 FFAA O=C(NS(=O)(=O)c1cccnc1)c1ccc(OC2CCC2)cc1Cl 136052589 FDHSWXNEGPLIIO-UHFFFAOYSA-N 366.826 2.785 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1)C2 102920801 IWSSJEMQIFXBES-INIZCTEOSA-N 357.381 2.917 0 50 FFAA COc1ccc(OC[C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 10543652 HBFRFPGEACMKKJ-ZDUSSCGKSA-N 353.415 2.721 0 50 FFAA O=C(CSc1ncn[nH]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708449 DFIYJZJKOPIVNX-LBPRGKRZSA-N 373.265 2.804 0 50 FFAA CNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 67675956 DSMZRSKNUOFFQF-OAHLLOKOSA-N 357.454 2.843 0 50 FFAA COC(=O)c1n[nH]c2c1[C@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 65526249 SXMROGOCGJULGM-ZDUSSCGKSA-N 364.361 2.858 0 50 FFAA Cc1c(-c2nccn2[C@H](C)c2ccncn2)c(=O)n(-c2ccccc2)n1C 67921870 SBRBPKZEEZQEQC-CQSZACIVSA-N 360.421 2.747 0 50 FFAA C[C@@H]1Cc2cc(CNC(=O)C(C)(C)NC(=O)c3cccs3)ccc2O1 65373263 GHAQYUFANXXPMZ-GFCCVEGCSA-N 358.463 2.896 0 50 FFAA O=C(c1cccc2nn[nH]c12)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 119127464 MBYRWVMUEHDURC-CQSZACIVSA-N 373.420 2.763 0 50 FFAA CC(C)c1csc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)n1 67820555 MEIUJFAQOXQFQD-UHFFFAOYSA-N 350.532 2.509 0 50 FFAA CCOc1nc(C)ccc1C(=O)Nc1ccc(N2CCOCC2)nc1C 252484518 FYOKHWSABRYNIS-UHFFFAOYSA-N 356.426 2.581 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c(C)[nH]1 77427809 FDCZOMJCUUMETN-IBGZPJMESA-N 368.477 2.838 0 50 FFAA CCN1Cc2nc(OC)c(CNc3nc(C)nc4sccc34)cc2C1=O 71681317 ZGQRLIYJHMICCI-UHFFFAOYSA-N 369.450 2.991 0 50 FFAA CCCCCN(C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71707883 HVSAIVRHZJBEQD-INIZCTEOSA-N 361.486 2.624 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccccc3SC)CC2=O)c1 77541279 DCRYJRKUZMHBDA-UHFFFAOYSA-N 370.474 2.902 0 50 FFAA Cc1csc([C@H]2CCCCN2C(=O)Cn2cnc3sccc3c2=O)n1 328812106 BFIZGJPRQHNPKO-CYBMUJFWSA-N 374.491 2.977 0 50 FFAA O=C(CCCc1cn[nH]c1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71762619 UMNVCVPSARWRMA-CEMLEFRQSA-N 364.493 2.821 0 50 FFAA CCNCc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 123382854 JPUMSBDFRSLIKT-UHFFFAOYSA-N 367.449 2.940 0 50 FFAA COc1ccc(OCCN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77426181 YXBQDDJOAKUHNV-OAQYLSRUSA-N 358.482 2.941 0 50 FFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc[nH]c1C1CC1 367598939 SNEBDUODDYPALP-NRFANRHFSA-N 353.466 2.601 0 50 FFAA COc1ccc2cc([C@H](C)C(=O)NCCSc3ncn[nH]3)ccc2c1 218830328 QSVZTINCHQVFPI-LBPRGKRZSA-N 356.451 2.979 0 50 FFAA Cc1nc2c(c(NC3CCN(Cc4ccccc4)CC3)n1)CCNCC2 72428927 GXGCLTUMXFPDAF-UHFFFAOYSA-N 351.498 2.550 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)o1 72436071 CLZRFQVXMXUVET-UHFFFAOYSA-N 358.394 2.684 0 50 FFAA OC1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 72428519 NMWPKVXLDZXFMU-UHFFFAOYSA-N 362.311 2.998 0 50 FFAA O=C(Nc1ccc(F)c(C2CC2)c1)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 374184606 ALSOLMBKFFJBEY-ZDUSSCGKSA-N 356.401 2.771 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)c2c(F)cccc2Cl)ncn1 72434290 LLMVEFRVGRDIBB-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 238077693 GMKRLBXAPQTTLA-HKMNZKMDSA-N 352.390 2.749 0 50 FFAA Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncnn3C(C)(C)C)c12 282827910 BMOJBXJBHPZXAK-UHFFFAOYSA-N 353.430 2.753 0 50 FFAA Cc1c(NC(=O)N2CCC(c3cc[nH]n3)CC2)cccc1-c1nncn1C 426470932 RAOMFTNOUMVCDI-UHFFFAOYSA-N 365.441 2.925 0 50 FFAA O=C(NCc1noc(-c2ccccc2)n1)N1CCC[C@H](Cn2ccnc2)C1 426387328 TXSAJJUCVGGUBL-OAHLLOKOSA-N 366.425 2.555 0 50 FFAA Cc1nc([C@@H](C)NC(=O)N(C)CCCOc2ccc(Cl)cc2)n[nH]1 426414657 OJYWBHVXWOFTDH-LLVKDONJSA-N 351.838 2.938 0 50 FFAA NC[C@@H]1CN(C(=O)c2cccnc2SC/C=C/c2ccccc2)CCO1 223114519 MLZUVXBILAZPQT-ZGRWHYIRSA-N 369.490 2.687 0 50 FFAA COCc1cc(N[C@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)ncn1 95375835 KKUWMAOQICTAGC-LLVKDONJSA-N 371.397 2.863 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n1 95354744 WVNGNUDKQLFWGY-ZTFGCOKTSA-N 372.419 2.699 0 50 FFAA Cc1ccccc1CNC(=O)CN1CCN(c2cccc(Cl)c2)C(=O)C1 91892539 CGGLKQGLVVAHRL-UHFFFAOYSA-N 371.868 2.613 0 50 FFAA CCNC(=O)COc1ccc(CN[C@@H]2CCOc3ccccc32)cc1OC 236910461 PJIYHUOKMQNZPK-QGZVFWFLSA-N 370.449 2.824 0 50 FFAA CC(C)CN1CCCC[C@H]1CCNC(=O)N1CCN(c2cccnc2)CC1 426551394 XDZHVJYOADPYLR-IBGZPJMESA-N 373.545 2.814 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1n[nH]c3c1CCCCC3)CO2 91860393 ROMYSTOSBFJYQZ-HNNXBMFYSA-N 369.465 2.897 0 50 FFAA COc1cccc(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)c1 95355889 IHALVBFRMMFJSJ-UHFFFAOYSA-N 370.434 2.891 0 50 FFAA COc1cccc([C@@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2C(=O)O)c1 91326105 YDTWXGGOVGAQKS-ZWKOTPCHSA-N 369.417 2.767 0 50 FFAA O=C(NCCCN1CCc2ccccc21)[C@H](c1cccnc1)N1CCCC1 95386856 IZHIBMVNWOMUDY-NRFANRHFSA-N 364.493 2.788 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91593191 HHTPYUVXAKUOEO-XJKSGUPXSA-N 359.426 2.545 0 50 FFAA CC1(C)CNC(=O)c2nc(C[C@@H]3CCN(Cc4ccccc4)C3)[nH]c2C1 95381930 ULUCMGWPBNPXSJ-INIZCTEOSA-N 352.482 2.786 0 50 FFAA COc1ccnc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)c1OC 230521850 QJHOXWXERQUDOM-LJQANCHMSA-N 372.469 2.535 0 50 FFAA C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cn2ncsc2n1 91724598 GBIAAXWMBBDQRB-LLVKDONJSA-N 365.418 2.637 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)Nc1cc2c(cc1F)NC(=O)CC2 163120571 CNYDZSUAZQGZBQ-UHFFFAOYSA-N 370.340 2.925 0 50 FFAA O=C(CCc1ccncc1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244900275 ZZAGYWURLSMPQN-LVCYWYKZSA-N 352.434 2.578 0 50 FFAA O=C(CCn1c(CO)nc2ccccc21)NCc1nc2c(s1)CCCC2 252482196 DAJUTKBRQZAAAA-UHFFFAOYSA-N 370.478 2.570 0 50 FFAA C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)[C@H]1CCCOC1 295772381 BUWLEZVGPXAGNO-GWCFXTLKSA-N 365.373 2.626 0 50 FFAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1OC 298164968 YEKDNADVLJYQPA-OAHLLOKOSA-N 356.378 2.774 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)NCC3(CO)CCCC3)cn2)c1 534666515 ARJSFTITRXMQCX-UHFFFAOYSA-N 372.469 2.575 0 50 FFAA O=C(c1cccc(-c2ccc(NCCO)nn2)c1)N1CCCCCCC1 534649354 KFBKTQMVYHXQSI-UHFFFAOYSA-N 354.454 2.954 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(c4ncon4)CC3)c2)n1 299755679 CSSKLMZCHSPIRN-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA CC(C)n1cnnc1CCNC(=O)CCC(=O)NC1CCCCCCC1 299802200 YCBDVZVUKMRNEG-UHFFFAOYSA-N 363.506 2.527 0 50 FFAA CCc1cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)cc(O)n1 299762020 UNMJGUJJELENPP-UHFFFAOYSA-N 356.426 2.705 0 50 FFAA Cc1c(NC(=O)N[C@H]2COC[C@@H]2N2CCCC2)cccc1N1CCCC1 299767020 ALZSIZVVAMABSW-HKUYNNGSSA-N 358.486 2.580 0 50 FFAA Cc1ncsc1CN1CCC2(CC1)CN([C@H]1CCSC1)CCO2 825284753 GILDWPJBNLTHQU-HNNXBMFYSA-N 353.557 2.624 0 50 FFAA CCc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)cn1 1565511118 IDSIZGFBGVGCIK-APWZRJJASA-N 368.456 2.915 0 50 FFAA CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2 1565527838 ULTODYBZZBZMLC-GUYCJALGSA-N 352.438 2.780 0 50 FFAA CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](SC)C2)ccc1OCC(=O)O 268950099 PQILPCDQLDGXMG-ZIAGYGMSSA-N 367.467 2.953 0 50 FFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H]1COc3c1ccc(C)c3C)CC2 274958802 QZONSOLNBUZJTF-RCCFBDPRSA-N 374.481 2.698 0 50 FFAA Cc1nscc1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 275246077 GPAWOYPDWLWXLD-ZDUSSCGKSA-N 350.444 2.856 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@H](c3cnn(C)c3)C2)ncn1 275508815 BNFHGPBWDPWUCS-MDYRTPRTSA-N 370.501 2.820 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1[C@@H](CN[C@@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 170089083 GNTBGPAULDJTDJ-ZACQAIPSSA-N 364.530 2.981 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190035547 IVRTVJJYYCCKNG-GOSISDBHSA-N 367.453 2.889 0 50 FFAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(C)(C(C)C)CC1 190335974 QKBOWUOWFDMOFN-UHFFFAOYSA-N 368.481 2.968 0 50 FFAA COCCN(C)c1ccc(CN2CCOC[C@@H]2c2nc(C)cs2)cn1 191536737 NZCNUZCWZPMXLI-MRXNPFEDSA-N 362.499 2.503 0 50 FFAA Cc1ccc(COc2ccccc2CN2CC[C@H](O)[C@H](C(=O)O)C2)cc1 1616073337 PFBOZOJRALMULI-MOPGFXCFSA-N 355.434 2.841 0 50 FFAA CN1CCC(n2nccc2NC(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 1506431503 NAFGNKXDHXSZIT-SFHVURJKSA-N 359.449 2.530 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1ccc2c(c1)OCC(=O)N2 1506423819 WYXWZHKKDPPXSZ-UHFFFAOYSA-N 353.353 2.910 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)o1 1529090369 HPPBBVQHLDOEPQ-CRAIPNDOSA-N 365.433 2.769 0 50 FFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H]1CC12CCNCC2 1529118231 HALKXHSOBFLVEW-HNNXBMFYSA-N 354.454 2.732 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3nc4c(s3)CCCC4)C1)CC2 1704343173 UJPDVJXCGRIEQJ-LJQANCHMSA-N 369.494 2.514 0 50 FFAA CSCCC(=O)N1CC[C@@H]2CN(c3nccc(C4CCCC4)n3)C[C@@H]21 219900903 AWORLXULZDEIFL-WBVHZDCISA-N 360.527 2.924 0 50 FFAA CC(C)Nc1cc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)ncn1 1704311302 DRUMPLGTAXHDEX-HXUWFJFHSA-N 367.501 2.637 0 50 FFAA Cc1cc(N[C@H]2COC[C@H]2Cc2ccncc2)nc(N2CCCCC2)n1 1704300668 YJWLNKXOGACEQX-MSOLQXFVSA-N 353.470 2.840 0 50 FFAA COCCNC(=O)C1CCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 11783205 QDHRACRJCBAARH-UHFFFAOYSA-N 356.470 2.534 0 50 FFAA CN1CCC(N(C)C(=O)CC[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 12456328 RIENIWYMKZNSQX-QGZVFWFLSA-N 363.546 2.748 0 50 FFAA Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccnc1)S(C)(=O)=O 13678191 ALRPHHQXNYNZPA-LBPRGKRZSA-N 367.858 2.837 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 15073207 UHHPNHPNTDUIJX-MRXNPFEDSA-N 358.461 2.884 0 50 FFAA O=C1C[C@@H](Nc2nc(O)c3ccccc3n2)CN1c1c(F)cccc1F 301974894 LAVJVDLVLIWDQI-SNVBAGLBSA-N 356.332 2.831 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)ccc1O 212544472 LNRMFCJATXZFQQ-MJGOQNOKSA-N 351.450 2.832 0 50 FFAA CCO[C@H](C)c1nc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)cs1 236918689 TUOXSMAGIRQADX-CHWSQXEVSA-N 354.472 2.887 0 50 FFAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)NC1CCN(CCOC)CC1 242140810 WPKOMSNCYNOADQ-UHFFFAOYSA-N 358.486 2.810 0 50 FFAA Cc1noc(C)c1CCC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 373714693 MGJUVPNORNSCST-JXFKEZNVSA-N 355.438 2.560 0 50 FFAA COCCn1nnc2c1C[C@@H](c1nc(-c3cccc4[nH]ccc34)no1)CC2 952895015 QIKDMMDIHUKULQ-LBPRGKRZSA-N 364.409 2.728 0 50 FFAA O=S(=O)(c1cccc2ccncc12)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 1875271072 KSOGLZQNKWUSLW-URLQWDBASA-N 358.463 2.815 0 50 FFAA C[C@@H](C(=O)N1CCC[C@]2(C(=O)O)COC[C@@H]12)c1ccccc1C(F)(F)F 1875307016 UCZQMCOTMOWLEO-ZLENFMNRSA-N 371.355 2.901 0 50 FFAA CC1(CC(=O)N[C@@H]2CCN(C(=O)c3cnc(C4CC4)[nH]3)CC2(C)C)CC1 1875407314 XEFIEPCOKGTIIC-OAHLLOKOSA-N 358.486 2.834 0 50 FFAA O=C(c1cncc(-c2ccoc2)c1)N1C[C@H]2C[C@H]1C[C@@]2(O)C(F)(F)F 1875404747 SXHIYKMALYJQME-YCPHGPKFSA-N 352.312 2.869 0 50 FFAA COc1c(F)cc(NC(=O)N2CCC[C@@H]3[C@H](O)C(C)(C)[C@@H]32)c(OC)c1F 879790616 DCNCSXMBYQFOCL-OBPXBXINSA-N 370.396 2.995 0 50 FFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC(c3cc(CO)on3)C2)c1 886086073 QBRUEHRHYJCAPU-AWEZNQCLSA-N 358.438 2.992 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nnc(C3CC3)n2C2CC2)C1 886082469 DCGVZOXBEFUFDU-KURKYZTESA-N 359.518 2.564 0 50 FFAA Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c(C)n1Cc1ccccc1 896580358 HJXQMWRQGFIOQO-UWJYYQICSA-N 368.525 2.517 0 50 FFAA CCn1nc(C2CCOCC2)nc1-c1ccc2nnc([C@@H](O)C(C)C)n2c1 2100473511 OHFYFPVUVHZSRR-INIZCTEOSA-N 370.457 2.591 0 50 FFAA CC(C)(C)c1nccc(CCCNC(=O)c2cc3c(s2)CCNC3)n1 2325795562 NAEOXZNXPBINBB-UHFFFAOYSA-N 358.511 2.844 0 50 FFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1 784757 LSLCMNWJMJLMKT-LBPRGKRZSA-N 358.369 2.835 0 50 FFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NC1CCCC1 885070 XOQNVNISWOVLQS-UHFFFAOYSA-N 372.490 2.936 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1C 2356137465 ZETBSEQDFRDWPX-LJQANCHMSA-N 362.495 2.612 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc(OC)c(OC)c2)C1=O 2356170125 WESCRVXWXRAASM-FQEVSTJZSA-N 360.454 2.711 0 50 FFAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc(C(=O)O)c1 4843062 XRBMXJYGYVYVDP-UHFFFAOYSA-N 354.391 2.696 0 50 FFAA O=C(NCCc1ccccc1)c1cnc2sc3c(n2c1=O)CCCC3 10327257 CKBITVFERVILDP-UHFFFAOYSA-N 353.447 2.607 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 59739798 LYXZBCCTEHBVHH-QGZVFWFLSA-N 357.498 2.620 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)c2ccc([C@@H]3CCCN3)s2)CC1 23312333 DZBMQBBMXCAQSN-HNNXBMFYSA-N 373.478 2.754 0 50 FFAA CCc1ccc(CN(CCOC)C(=O)c2nnc3nc(C)cc(C)n23)cc1 55133347 KFSCTVXVCKWIGW-UHFFFAOYSA-N 367.453 2.592 0 50 FFAA COc1ccccc1N1CC[C@@H](CNC(=O)C[C@@H](O)c2cccc(F)c2)C1 245646413 UAGMJOFJVKEHBJ-HNAYVOBHSA-N 372.440 2.901 0 50 FFAA CC(=O)c1cc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cs1 104468163 GJOSIVSIZWYCFK-QGZVFWFLSA-N 362.495 2.921 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@H]1CCC(=O)N1 67975365 KFEFVLMQVDYUOX-MRXNPFEDSA-N 353.422 2.776 0 50 FFAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCCCC2)n1 22607775 WTXCOHCTDFMRNU-UHFFFAOYSA-N 354.458 2.516 0 50 FFAA CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)N2CCCCC2)[C@H](c2cccnc2)N1C 67982227 USVMIPWFLDPCGA-WFXMLNOXSA-N 373.497 2.956 0 50 FFAA CCn1c(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)nc2ccccc21 68309609 UVMILLVPJJWWQI-OAHLLOKOSA-N 368.481 2.506 0 50 FFAA O=C(NCc1nc[nH]n1)c1csc2nc(-c3cccc(Cl)c3)cn12 67966841 HRKHSJQAZKPCDO-UHFFFAOYSA-N 358.814 2.764 0 50 FFAA Cc1cnc(NC[C@@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C 20785029 XTULGIWGMLOYEG-SFHVURJKSA-N 363.469 2.830 0 50 FFAA Cc1cc(C)n(CC[C@H]2CC(=O)Nc3c2c(-c2cccnc2)nn3C)n1 65395484 YHYYMLSOUVJHOD-AWEZNQCLSA-N 350.426 2.812 0 50 FFAA COc1cc(CN2CCC3(CC2)CN(C)CCN3C)ccc1OC(C)C 67974028 JWGVPHFQVCKYGK-UHFFFAOYSA-N 361.530 2.694 0 50 FFAA COc1ccc(Cl)c(CN2CCN(c3nccnc3C)CC2)c1F 67688317 LJTGWFDOSBWCEI-UHFFFAOYSA-N 350.825 2.908 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCCO[C@@H](Cn2cccn2)C1 216135424 BKBXPYBJDVQIQV-QGZVFWFLSA-N 352.438 2.615 0 50 FFAA C[C@H](NC(=O)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)C1CC1 252482021 CWUWKQDBWSVHMM-LBPRGKRZSA-N 351.472 2.828 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(c3nc4ccccc4o3)CC2)CN1C(=O)C1CC1 72438738 USRPMRFUCPVMPF-HNNXBMFYSA-N 369.421 2.510 0 50 FFAA COC(=O)c1sccc1-n1cc(C(=O)[C@@H](C)Oc2ccccc2)nn1 5748037 WDBZJLVQXKSZFZ-LLVKDONJSA-N 357.391 2.766 0 50 FFAA CCc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@H]2c2ncon2)CC1=O 123375012 ONGHFRNZYRWSRP-RDJZCZTQSA-N 368.437 2.739 0 50 FFAA COc1ccc2cc([C@@H]3CN(C(=O)CN4CCCC4)CCO3)ccc2c1 71415616 ULWGGQCBOAYYDP-FQEVSTJZSA-N 354.450 2.844 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)n1 33326763 QQTBKGGXQCKIML-UHFFFAOYSA-N 372.448 2.653 0 50 FFAA C[C@H](c1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1)N1CCCC1 216470563 AIDSHVXCJYFIHV-MRXNPFEDSA-N 366.513 2.634 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 332105373 DNFLVELVGHRXMZ-AWEZNQCLSA-N 368.842 2.667 0 50 FFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 452976939 OXUVUZOQIPAWKH-BEFAXECRSA-N 357.360 2.642 0 50 FFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 262102904 HPWYIHGBRBUANL-HZSPNIEDSA-N 357.328 2.686 0 50 FFAA CCc1nc(C2(NS(=O)(=O)C[C@@H]3CCCC3(F)F)CCCC2)no1 333384125 FZXOJOCQZIOBRH-NSHDSACASA-N 363.430 2.756 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cc2)n1 72150489 VYXJGEMQFKHGEJ-SFHVURJKSA-N 362.437 2.594 0 50 FFAA Cc1cc(C(=O)N2CCN(CC(F)(F)F)C[C@H](C)C2)c2n[nH]cc2c1 333953557 DLFPAMMFDQGJRE-LBPRGKRZSA-N 354.376 2.828 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)[C@]3(C)CCCCO3)CC2)OC1=O 77357787 NBJUNSMKJPSYKW-SFHVURJKSA-N 352.475 2.805 0 50 FFAA CCN(CC)[C@@H](CNc1nc(C)nc2c1CCN(C(C)=O)C2)c1ccco1 71774836 GFFMDTRTTBPCJG-SFHVURJKSA-N 371.485 2.778 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N(CCC(=O)O)C2CCOCC2)c1C 237735915 JXUKABJLCCUDQG-UHFFFAOYSA-N 371.437 2.585 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 72150847 IEUOWOVFXYNBMC-OAHLLOKOSA-N 355.504 2.757 0 50 FFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CC2(CCNCC2)CN1 72167340 JSRYUAHOWSDNGJ-HNNXBMFYSA-N 356.297 2.650 0 50 FFAA Cc1c(C(=O)N[C@@H](CN)C2CC2)nnn1-c1ccc(-c2ccccc2)cc1 237823611 XGBFMCMIGGMMCP-IBGZPJMESA-N 361.449 2.710 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CCOCC1 238068812 PEMYCTQANMGCPC-LSDHHAIUSA-N 353.365 2.551 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)CC(=O)N2 17889410 BFIWEUWCNSTERP-SECBINFHSA-N 366.240 2.728 0 50 FFAA CCCN(Cc1ccccc1F)C(=O)Cn1nccc1[C@@H]1CCCNC1 426473607 MWSXFCMEMRVRGH-MRXNPFEDSA-N 358.461 2.928 0 50 FFAA COc1ccc(-n2c(CCN)nnc2SCC[C@H]2CC2(F)F)cc1 426633724 BMMPRNXGTLHBBT-NSHDSACASA-N 354.426 2.915 0 50 FFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCN1CCCOC1=O 426730248 BBMXAQWFMJJSLH-AWEZNQCLSA-N 358.442 2.508 0 50 FFAA O=C(NCCNC(=O)c1ccc([C@H]2CCCO2)s1)c1ccc(F)cc1 91594340 ZWHUNJFTHNGQPT-CQSZACIVSA-N 362.426 2.899 0 50 FFAA O=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ccc(Cl)cc2F)cc1 426545183 SJVCRJPDUGSAAH-LJQANCHMSA-N 362.832 2.990 0 50 FFAA CN1CCC(n2nc(-c3ccccn3)nc2CSc2ncccn2)CC1 95520615 BSEZUYBOQJRXBH-UHFFFAOYSA-N 367.482 2.689 0 50 FFAA CCc1nnc(CN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C(C)C)o1 97679938 QBVMSGXGYBLDMW-ZDUSSCGKSA-N 360.389 2.634 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)ccn1 95369010 SGNRPTIBMVLRNM-LJQANCHMSA-N 363.461 2.923 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccccc2F)CC[C@@]1(O)C1CCOCC1 91270581 UGOLCBYBLINKKW-KUHUBIRLSA-N 350.434 2.535 0 50 FFAA Cc1nc(CCCNC(=O)c2cnc(-c3ccncc3)nc2)sc1C 95359522 WOAWJLLWCFMEPR-UHFFFAOYSA-N 353.451 2.975 0 50 FFAA CNC[C@@H]1CCN(C(=O)CCOc2ccc(C)cc2Br)C1 179016979 QYIDLCGSQJWYEI-ZDUSSCGKSA-N 355.276 2.594 0 50 FFAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 91713369 HWLSMFLOSHTLQI-BPQIPLTHSA-N 374.506 2.803 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 91757457 SKAARMYHQYPGNL-UHFFFAOYSA-N 366.509 2.952 0 50 FFAA CC(C)Cc1cc(C(=O)NCc2nc(-c3ccccc3F)no2)n(C)n1 91656269 AKKQFYFOXMCDEZ-UHFFFAOYSA-N 357.389 2.738 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)OCc1ccccc1)C2 91255288 IISFPFIHLWVFNJ-PKOBYXMFSA-N 365.433 2.955 0 50 FFAA COc1ccc(-n2ccnc2-c2cn([C@@H]3c4ccccc4C[C@@H]3O)nn2)cc1 91964938 LUICEDVCMFFCSG-VQTJNVASSA-N 373.416 2.646 0 50 FFAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)C2c3ccccc3-c3ccccc32)C1 91526708 BAZREQLDJRXOHL-IAGOWNOFSA-N 364.489 2.818 0 50 FFAA CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC 245312594 WFJGUFDWNHQOKC-DZFGPLHGSA-N 360.498 2.890 0 50 FFAA COc1ccc(-c2noc(CN(C)Cc3nc(CSC)no3)n2)cc1 244723822 MHXWFDCIDVWAEU-UHFFFAOYSA-N 361.427 2.623 0 50 FFAA CC(C)(C)c1oc(C(N)=O)cc1CN(Cc1cocn1)Cc1cocn1 244724457 MUMVYUBBEIDEEM-UHFFFAOYSA-N 358.398 2.854 0 50 FFAA Cc1cc2n(n1)CCN(C(=O)[C@@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2 252495860 PDBMPKDZRYEFTE-OAQYLSRUSA-N 369.465 2.948 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(CNC(C)=O)cn3)c2)C1 299774013 DPAPHVCHNYJPMC-LJQANCHMSA-N 367.449 2.636 0 50 FFAA O=C(NCCN1CCC(CO)CC1)c1cccc(-c2cccc(F)c2)c1 299755439 CYMBECZHVUTCRS-UHFFFAOYSA-N 356.441 2.927 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)N[C@H](C(=O)O)C(C)(C)C 823633825 SBEVHNNMFGZUQP-OAHLLOKOSA-N 362.405 2.857 0 50 FFAA Cc1cccc(CC2(NC(=O)N3CCN(CC(F)(F)F)CC3)CC2)c1 584894273 DVGMWSTVTCXKGG-UHFFFAOYSA-N 355.404 2.960 0 50 FFAA COCCN(CCOc1ccc(Cl)cc1)Cc1nccn1CCOC 824405447 IVZDZLQHLWWUJD-UHFFFAOYSA-N 367.877 2.710 0 50 FFAA Cc1nc(-c2cccc(C(=O)N(C)CC[C@H](O)c3ccccc3)c2)n(C)n1 584902903 KGUNVCTUJBVXRF-IBGZPJMESA-N 364.449 2.986 0 50 FFAA Cc1nc(C(C)(C)NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 272192558 LFOVWZQODBBCRA-MRVPVSSYSA-N 373.379 2.909 0 50 FFAA CCn1cc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cn1 275221131 BWPWPNIHFOYTQM-INIZCTEOSA-N 370.457 2.583 0 50 FFAA CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 186038358 SIOITUVLOFIVMK-SFHVURJKSA-N 372.490 2.928 0 50 FFAA COc1cc(F)cc(CNC(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 187749252 UEHRFPZHINGWRJ-YOEHRIQHSA-N 364.442 2.813 0 50 FFAA Cc1nn(C)c(C)c1CN1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615733464 TZAHRLHPVBNGPA-UWJYYQICSA-N 350.466 2.621 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)C[C@@H]1O 212560650 SLKNZXKHADESGC-HOTGVXAUSA-N 368.462 2.832 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)on1 220153747 CMFQIBWNBBLJOR-ZBFHGGJFSA-N 373.478 2.740 0 50 FFAA CNc1ncccc1C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12 1704340106 UYPBQYFYDPCWTI-UHFFFAOYSA-N 367.449 2.836 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)N)C2)ccc1Br 227187588 RIAOUBNWESUQLX-RYUDHWBXSA-N 361.305 2.505 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2CCC([C@H](O)CO)CC2)c1 1772710160 OZWCOMVQLYIUAT-LJQANCHMSA-N 355.434 2.568 0 50 FFAA O=C(CCOc1ccccc1)N1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 1772700726 DRVYIJOAZUWQFP-SFHVURJKSA-N 356.466 2.707 0 50 FFAA C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 5433349 DXEFUZJKOAJWMG-RISCZKNCSA-N 351.244 2.813 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2)c1 12317265 MECPFWQXEMOYDK-NRFANRHFSA-N 368.481 2.855 0 50 FFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccc2nccnc2c1 12442943 RJQQZCVCFTWMKS-LJQANCHMSA-N 372.472 2.991 0 50 FFAA CCN(C)C(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12718857 RCMAONOGZHIYJA-FQEVSTJZSA-N 357.542 2.884 0 50 FFAA c1ccc(CN2CCC(NCc3cccnc3N3CCOCC3)CC2)cc1 14964036 WUUCYEUHEXBSMN-UHFFFAOYSA-N 366.509 2.672 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(C)c1)C2 19228228 NVXSVJTUCVOXCK-KRWDZBQOSA-N 354.498 2.950 0 50 FFAA C/C=C(\C)CN1C[C@H](C(=O)O)C2(CCN(C(=O)c3ccn(C)c3C)CC2)C1 1857686815 JAXWJZYKVICCDQ-LUFMRPCYSA-N 373.497 2.539 0 50 FFAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccc([C@H](C)N(C)C)cc1 1857706188 DBYMPXBRAAEPOO-HNNXBMFYSA-N 353.470 2.968 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1CCn2nccc2C1 1857710215 MJTNIMCREXPGQZ-HNNXBMFYSA-N 367.428 2.704 0 50 FFAA Cc1ccc(C(=O)O)c(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)n1 219535968 WSDSKTLINSUKDF-SJORKVTESA-N 365.433 2.716 0 50 FFAA Cc1cc(N2CCC[C@H](NC(=O)c3ccc(OC(C)(C)C)cn3)C2)n(C)n1 332480824 YSKJWKXVTZKVCW-HNNXBMFYSA-N 371.485 2.700 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1Br 237187784 ABBASJBPLRZJNW-GXTWGEPZSA-N 369.303 2.976 0 50 FFAA Cc1nc(CC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c(C)s1 129660052 GONNGSKQKYEZLR-UHFFFAOYSA-N 351.815 2.925 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Br)cn1 249917763 TXNDPVMTFHCJFB-BIMULSAOSA-N 353.216 2.702 0 50 FFAA CN1CC[C@@H](CNC(=O)c2cc(F)cc3nc[nH]c23)[C@@H]1c1cccnc1 364539183 RKDKUOJSUJRNSY-UGSOOPFHSA-N 353.401 2.520 0 50 FFAA COc1ccccc1N1CCN(c2ncccc2-c2nc(C)no2)CC1 266089618 DHPCRRMBIGFFCY-UHFFFAOYSA-N 351.410 2.775 0 50 FFAA Cc1ncnc2c1C[C@H](C(=O)N1CCCN3c4ccccc4C[C@H]3C1)CC2 1875294948 YZDMOKPYDOIUJJ-MSOLQXFVSA-N 362.477 2.554 0 50 FFAA O=C(NC[C@H]1CC12CCC(O)CC2)[C@@H](O)c1cccc(Br)c1 1875298770 MZHMHCWLMIHPIR-RDAFDQFTSA-N 368.271 2.540 0 50 FFAA CC12CC(NC(=O)c3cccc(NCc4ccccn4)c3)(C1)C1(COC1)O2 1875298573 GFDGORRUQKXGQT-UHFFFAOYSA-N 365.433 2.514 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@@](CC)(C(F)(F)F)C2)c1 1875366806 CCNAOOSWXZQCSY-MRXNPFEDSA-N 356.344 2.995 0 50 FFAA COc1ccc([C@@H]2C[C@H]2CC(=O)N2C[C@]3(C(F)(F)F)C[C@]3(CO)C2)cc1 1875392248 KOZBADOXJZDNGX-OXXUSNJHSA-N 369.383 2.962 0 50 FFAA CN=c1[nH]c(N2CCN(c3ccc(C(F)(F)F)cc3)[C@H](C)C2)ncc1F 1875356226 LDSWBMIXKGASKI-LLVKDONJSA-N 369.366 2.813 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3csc(C(C)C)n3)C2)ccn1 886059734 YYMVBOXNNVVOSD-SFHVURJKSA-N 374.510 2.951 0 50 FFAA Cn1nc(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)c2c1CCCC2 886074547 MLJUJWIIOSBBCQ-MRXNPFEDSA-N 358.873 2.739 0 50 FFAA C[C@@H]1CN(C)C[C@H](c2nnc(CCOc3ccc(F)cc3Cl)o2)O1 888078891 GWCHLMGCONAUTA-QMTHXVAHSA-N 355.797 2.875 0 50 FFAA COc1ccc([C@H](C)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(F)c1 888098953 NYPLACAPVVOCEF-OBHGLWADSA-N 350.478 2.965 0 50 FFAA Cc1nc(CN2CCN(C(=O)NC3(c4ccccc4)CC3)CC2)cs1 20494436 ALNINXKXGPVKMS-UHFFFAOYSA-N 356.495 2.968 0 50 FFAA O=C1CC(c2ccc(COC(=O)c3cccc4c3NC(=O)CO4)cc2)C1 2325780932 ZKRPOIUFAWQHNP-UHFFFAOYSA-N 351.358 2.821 0 50 FFAA Cc1cccc(N2CCN(CCCCNC(=O)N3CC[C@@H]3CF)CC2)c1 2325803406 FICSDLCNDBAWCF-LJQANCHMSA-N 362.493 2.651 0 50 FFAA O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1Cc2cccc(O)c2C1 2325807322 RKJRPGXGRYBFHS-CQSZACIVSA-N 371.380 2.998 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](F)C3CCCCC3)C2)n[nH]1 2325843129 WFHNGXFVYDSGDE-WMLDXEAASA-N 364.465 2.782 0 50 FFAA CCS(=O)(=O)NCCCS[C@H]1CCCN(c2ccc(C)cc2)C1=O 152393374 JHILSZTYGQWIHW-INIZCTEOSA-N 370.540 2.553 0 50 FFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1 1163331 UUCJCTJUOMRJQO-UHFFFAOYSA-N 368.474 2.772 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1 1195723 FWAXLEDHMBAFGM-UHFFFAOYSA-N 373.361 2.529 0 50 FFAA O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 2890017 JDGVQOHDZACWIF-MRXNPFEDSA-N 356.403 2.535 0 50 FFAA COc1cc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 2994869 UHNKIPDBLYFLBF-XIKOKIGWSA-N 373.405 2.671 0 50 FFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCc2[nH]ncc21 133192450 AAGMPIFQXCZSHW-KRWDZBQOSA-N 356.445 2.750 0 50 FFAA CC(=O)Oc1c(C)cc(CNCc2cccc(-c3nnn[nH]3)c2)cc1C 55061133 MATTWJJQNHFRLI-UHFFFAOYSA-N 351.410 2.699 0 50 FFAA COc1ccc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 20313990 KONABRXISPGSJZ-UHFFFAOYSA-N 356.422 2.545 0 50 FFAA Cc1cccc(-c2ncc([C@@H]3CC(=O)NCc4nc(N)sc43)cn2)c1 65470464 BBDAJNXIYYVRQE-ZDUSSCGKSA-N 351.435 2.643 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1cc(COc2ccccc2F)[nH]n1 67770798 QRAATLCTDMDNGH-QGZVFWFLSA-N 355.369 2.591 0 50 FFAA CC(C)=CCN1CCN(Cc2nc3ccccc3nc2C)C[C@@H]1CCO 20784335 AZNIAVFSLVNGDQ-SFHVURJKSA-N 354.498 2.773 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C)n3nc(C)cc3n2)C1 67885170 AECMGHNEWOLHQU-OAHLLOKOSA-N 352.442 2.651 0 50 FFAA Cc1c(C(=O)N[C@H](C)c2cn3ccsc3n2)cnn1-c1ccccn1 65406269 MQWGOLATPQDINA-LLVKDONJSA-N 352.423 2.776 0 50 FFAA CN(CCc1ccncc1)C(=O)c1cc(COc2ccccc2F)[nH]n1 67560557 HXNZLPWEAWEITJ-UHFFFAOYSA-N 354.385 2.838 0 50 FFAA Cn1ccnc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12446309 ZKNMJZGYKBGMEV-FQEVSTJZSA-N 356.445 2.574 0 50 FFAA Cc1ccc(N2CCC3(CCCN3Cc3cnc(N(C)C)s3)CC2)nn1 72447074 OSMGIBZANJBBEC-UHFFFAOYSA-N 372.542 2.943 0 50 FFAA Cc1nn(CC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)c(C)c1C 215599823 NHYIXAAIKKUWHK-HXUWFJFHSA-N 354.498 2.804 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](NCc2nc3cc(Cl)ccc3n2C)CCO1 328625731 DLPDCCDLROXJNM-GUYCJALGSA-N 359.861 2.970 0 50 FFAA Cc1cc(N2C(=O)[C@H](C3CCOCC3)N=C2O)cnc1N1CCCC[C@H]1C 329284321 LLKYPUVQPBZWSI-PBHICJAKSA-N 372.469 2.825 0 50 FFAA C[C@H]1CN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)CCCO1 215728111 YJGXSRNXKWBOPQ-HNNXBMFYSA-N 356.422 2.823 0 50 FFAA Cc1oc(C(C)C)cc1C(=O)N1CCC(C(=O)O)(n2ccnc2C)CC1 72423776 WSNAXHQJDVYYRZ-UHFFFAOYSA-N 359.426 2.932 0 50 FFAA COc1cccc(OC[C@@H](O)CNC(=O)c2[nH]c3ccc(C)cc3c2C)c1 72448075 ILAFSSZGUKYWQT-HNNXBMFYSA-N 368.433 2.963 0 50 FFAA CN(CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)Cc1ccncc1 77393716 XODABIONKZFQCT-SFHVURJKSA-N 371.456 2.970 0 50 FFAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 36360951 VICSJIFSDVCYPD-UHFFFAOYSA-N 356.407 2.632 0 50 FFAA C[C@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1ccnc1 77452123 UWRBAMNWBCKOPW-QGZVFWFLSA-N 352.482 2.536 0 50 FFAA CCC(=O)OC1(c2ccccc2)CCN(CC[C@@H]2CN(C)C(=O)O2)CC1 71769283 AEVSRSRNYPRNHS-QGZVFWFLSA-N 360.454 2.772 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2cc(C)cnc12 157059029 GAKXPIGBTCHBJH-AWEZNQCLSA-N 371.466 2.511 0 50 FFAA CC1(C(=O)N2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)CC1 77342886 ROEOXGYTPSDIOC-UHFFFAOYSA-N 358.438 2.679 0 50 FFAA Nc1nc(CCC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)cs1 77287547 HPGOXGTZRXUKHN-GOSISDBHSA-N 373.522 2.890 0 50 FFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 376046966 WHMSYGUANJMIQT-CQSZACIVSA-N 350.422 3.062 0 50 FFAA CCc1nnc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)o1 72479650 YDIVACJEXDZXSP-GOEBONIOSA-N 374.510 2.749 0 50 FFAA CCS(=O)(=O)Cc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1 450951974 ZKTOOFSLQDPSIC-UHFFFAOYSA-N 357.439 2.840 0 50 FFAA COc1cc(C(=O)NCCc2noc(C3CCC3)n2)nc2ccccc12 219952649 OWNLERKWJWRLFH-UHFFFAOYSA-N 352.394 2.866 0 50 FFAA O=C(CSc1ccccc1)N[C@H]1CCCCN(C(=O)c2ccncc2)C1 82097720 BWWNQYDBXRSQRD-KRWDZBQOSA-N 369.490 2.985 0 50 FFAA CCC[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1NC(C)=O 82109350 IQDHACIZDNNXKP-IFMALSPDSA-N 357.542 2.930 0 50 FFAA Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 174804622 HCSXNEYFYSAGRV-LBPRGKRZSA-N 367.327 2.543 0 50 FFAA COc1nccnc1-c1ccc(C(=O)NC[C@@H](C)n2nc(C)cc2C)cc1 426724033 SWYADAZPRIYLKE-OAHLLOKOSA-N 365.437 2.957 0 50 FFAA C[C@]1(C(=O)O)CCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 263500061 YTAFHSDUXHQGNY-HXUWFJFHSA-N 352.390 2.763 0 50 FFAA CNC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)ccc1Cl 426421085 HAZFNQRYCPZCTP-MRXNPFEDSA-N 372.852 2.964 0 50 FFAA CN(C)c1ccc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1 223202141 OAIKGDGYRBVDIA-FQEVSTJZSA-N 353.466 2.898 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@H]3CCc4ccccc43)CC2=O)c1 82109361 KWTGHLKGIUHSIU-FQEVSTJZSA-N 364.445 2.596 0 50 FFAA CCc1cc(Cl)ccc1NC(=O)NCCCN1CCC(C(N)=O)CC1 426621558 FDSACMGHHCUVJP-UHFFFAOYSA-N 366.893 2.611 0 50 FFAA COCC1(NC(=O)c2ccc(-c3cncc(C(N)=O)c3)cc2)CCCC1 426627875 XYIZDFVUTUPPBH-UHFFFAOYSA-N 353.422 2.537 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC(CCn3cccn3)CC1)CCC2 91624875 RGTFFEUBKFVLQZ-UHFFFAOYSA-N 354.454 2.718 0 50 FFAA COc1ccccc1-n1nc([C@@H]2CCOC2)nc1CCN1CCCCC1 96132967 FDVHMVLOAHMZLH-MRXNPFEDSA-N 356.470 2.808 0 50 FFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239402770 RCRAITACSFJJLA-ZHTNZKAISA-N 370.836 2.720 0 50 FFAA OCc1csc(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 91769794 NANDNDYXZPLHOZ-UHFFFAOYSA-N 355.467 2.659 0 50 FFAA CNC(=O)C1CCN(C(=O)c2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 179015462 YJGNBPXONONVEW-UHFFFAOYSA-N 372.856 2.704 0 50 FFAA COc1ccc2cc(CN3CCn4nc(CNC(C)=O)cc4C3)ccc2c1 91860603 VIGZSKPBVRMWHN-UHFFFAOYSA-N 364.449 2.697 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)N(C)C)cc1 95370471 CTRISZIWSIWAKN-LJQANCHMSA-N 353.466 2.503 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)NCc1csc(Cc2ccccc2)n1 95385813 DYDDCDDMHKCUFB-UHFFFAOYSA-N 367.478 2.828 0 50 FFAA CNC(=O)c1ccccc1NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 179636943 RBHBAXOGMUKOFV-UHFFFAOYSA-N 368.359 2.603 0 50 FFAA Cc1ccc2nc(C(=O)N[C@@H]3CCCN(C(=O)c4cccs4)C3)cn2c1 97660444 YCBVMSKTFBRWCH-CQSZACIVSA-N 368.462 2.739 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)on1 91746695 BOULJHPEUAJGDN-UHFFFAOYSA-N 365.437 2.779 0 50 FFAA O=C(CCc1cc2n(n1)CCN(CCc1ccccc1)C2)NC1CCCC1 91604353 SVRNIIWYDANFPQ-UHFFFAOYSA-N 366.509 2.933 0 50 FFAA CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@@H](C(=O)O)C3)c12 299745201 WONGVGOGWOLZHI-LLVKDONJSA-N 369.377 2.982 0 50 FFAA Cc1ccc(SCCNC(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)cc1 534635268 WUJPOGTWSJEPDH-GOSISDBHSA-N 363.483 2.761 0 50 FFAA CCOc1ccc(-c2ccc(C(=O)NCC3(O)CCCCC3)cc2)nn1 534658957 WKYBQQVPTKLFHZ-UHFFFAOYSA-N 355.438 2.967 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)NCCn1ncc2ccccc2c1=O 65371174 YUPWBFGXWPBKOA-UHFFFAOYSA-N 360.417 2.627 0 50 FFAA CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(-c2nc(C)cnc2C)c1 299779325 VALVQVHVCXMGSN-QGZVFWFLSA-N 352.438 2.501 0 50 FFAA COc1nc2c(cc1C(=O)N1CC=C(C)CC1)C(=O)N(C1CCCC1)C2 299794268 JEROPFLIXCGQON-UHFFFAOYSA-N 355.438 2.781 0 50 FFAA O=C(NCc1cnn(-c2ccccc2)c1)c1cnc(CN2CCCC2)s1 299793066 JFFIZYICEHGDBN-UHFFFAOYSA-N 367.478 2.855 0 50 FFAA Cc1ccc([C@@H](NC(=O)CCC2=NNC(=O)CC2)c2cccnc2)cc1C 670462580 ZQNBKONHSALOIJ-OAQYLSRUSA-N 364.449 2.950 0 50 FFAA COC[C@H](C)N(Cc1cccc(OC)c1)C(=O)c1ccn(C(F)F)n1 952965482 UNVGGAFVEYDUSB-LBPRGKRZSA-N 353.369 2.964 0 50 FFAA O=C(Cc1cn2ccsc2n1)N(Cc1ccccn1)C[C@@H]1CCCO1 952988741 OZVCRMUPTIJQDK-INIZCTEOSA-N 356.451 2.541 0 50 FFAA Cc1cc(C)cc([C@H]2CCN(S(=O)(=O)c3c(Cl)cnn3C)C2)c1 408381896 ANBGTSHDJLSXNG-ZDUSSCGKSA-N 353.875 2.869 0 50 FFAA CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2ccncc2)c1 170617177 AVLAUWAWTQEFGJ-KRWDZBQOSA-N 353.422 2.611 0 50 FFAA O=C(NC1CCOCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 187536891 UGULUSDZHFHVNI-CYBMUJFWSA-N 357.376 2.762 0 50 FFAA Cc1nc(C[C@H]2CCCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)no1 187677303 QILPJVVJPOOFFK-DZGCQCFKSA-N 363.483 2.797 0 50 FFAA CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(OC)c2F)cc1 192672757 QIJGLYAKSVWSRA-LBPRGKRZSA-N 352.431 2.593 0 50 FFAA O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccon1 195391346 DQBASICUXPXEPB-UHFFFAOYSA-N 351.200 2.873 0 50 FFAA O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 770594074 TYNJTSZKZKSGFT-AWEZNQCLSA-N 365.393 2.555 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@@H](C)Oc2cccnc2)c(Cl)cc1F 1506427555 KWOFHOOUEPZDCW-LLVKDONJSA-N 358.822 2.928 0 50 FFAA Cc1ccccc1CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)C[C@@H]1CCCO1 1506407616 PMHBBQIVVRUCAW-NSHGMRRFSA-N 360.498 2.612 0 50 FFAA COc1ccc([C@@H]2[C@@H](C(=O)N3CCCCCC3)OCC(=O)N2C2CC2)cc1 1529106142 LSPIZFOIABIGIN-UXHICEINSA-N 372.465 2.529 0 50 FFAA Cn1ccnc1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 216923750 BYWXIJUTWIWWMW-WBVHZDCISA-N 358.511 2.537 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)n[nH]1 11935632 WLHBTFNVVYACOJ-HXUWFJFHSA-N 358.486 2.753 0 50 FFAA O=C(N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccccc1 19800055 FDSUBHNXZLKPLY-YPMHNXCESA-N 351.661 2.881 0 50 FFAA Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)sc1C 169772902 PNQOLQORCXXDMW-SNVBAGLBSA-N 373.413 2.767 0 50 FFAA CCn1cncc1CNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2C(=O)CC(C)C 1857668675 VRCSKBWKHGWDLR-XAUMDUMWSA-N 360.502 2.725 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2C[C@H]2CC(=O)N(C)C2)n1 1857677641 LAJUWKSMUNQLJY-HNNXBMFYSA-N 367.428 2.970 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857715272 JSPHJPYXMHRYES-WUVMUJNQSA-N 362.514 2.507 0 50 FFAA Cc1cc(N2CCC3(CC2)CNC(=O)CCO3)nc2cc3c(cc12)CCC3 1857729857 UWXNVZLPRCRZPF-UHFFFAOYSA-N 365.477 2.907 0 50 FFAA Cc1nn(CC(=O)Nc2noc3ccc(F)cc23)c(=O)c2ccccc12 1875244091 LXFDZAJAGLWFTL-UHFFFAOYSA-N 352.325 2.624 0 50 FFAA CC(C)(C)C1CCC(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 225414627 PXWVYXQFYDRWSD-UQGLQJOZSA-N 372.509 2.762 0 50 FFAA CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 157193505 JHWWTFOBJUFMBP-LBPRGKRZSA-N 353.362 2.509 0 50 FFAA Oc1nc2cc(Br)cc(-c3nc(-c4cnccn4)no3)c2[nH]1 904651584 DMOPBOAROXWCCF-UHFFFAOYSA-N 359.143 2.538 0 50 FFAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2ccc3nc(C)ccc3c2)cn1 818231939 XOQWJZRIQMLRLX-VQTJNVASSA-N 352.438 2.696 0 50 FFAA COc1cc(Cl)c(F)c(C(=O)N[C@@]2(c3ncc(C)[nH]3)CCOC2)c1 818665236 DHHRNBVDEBAYDJ-INIZCTEOSA-N 353.781 2.565 0 50 FFAA CC(C)CC(=O)N1CCN(C2CN(CC[C@H]3CCCC3(F)F)C2)CC1 1875362232 WZLOUFHQPFDDJW-MRXNPFEDSA-N 357.489 2.686 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOc3ccccc3[C@@H]2C(F)F)CC1 1875381703 FDRVHQPGBAZQIA-QGZVFWFLSA-N 364.392 2.638 0 50 FFAA O=C(NCC12CCC(CO)(CC1)CO2)N[C@H](c1ccccc1)c1ccoc1 1875392394 NLAQCUQTRIODGD-KMFTYDHNSA-N 370.449 2.990 0 50 FFAA COc1ccccc1[C@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccc1 1323156697 ZFDQRWVAOIDNEY-LJQANCHMSA-N 352.434 2.951 0 50 FFAA CC[C@@H](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)C1(C)C(C)(C)C1(C)C 2325794084 PWUGJQUVQMCYOM-CABCVRRESA-N 354.535 2.773 0 50 FFAA CC[C@@H](CC(=O)NC1CC(N(C)C(=O)CCc2cncnc2)C1)C(C)(C)C 2325794822 SLGNSACEHYBMBA-AOCRQIFASA-N 374.529 2.977 0 50 FFAA C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1n[nH]c2c1CN(C)CC2 2325810864 KXNVOJWZWQBUSA-LLVKDONJSA-N 355.467 2.841 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C(=O)O)C1 894861 HQKSZMPYLDTIRF-MOPGFXCFSA-N 356.466 2.778 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)no1 1115048 ZPAOVVJJAFLQBQ-UHFFFAOYSA-N 361.379 2.938 0 50 FFAA Nc1ccc(C(=O)Nc2ccc(N)cc2NC(=O)c2ccc(N)cc2)cc1 1229194 BBNPBUMDWHFXOZ-UHFFFAOYSA-N 361.405 2.938 0 50 FFAA COCCCNC(=S)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 2855600 ZWGZWNOTJBYQFS-JTQLQIEISA-N 356.513 2.982 0 50 FFAA COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 2998064 ILONPKDOIHJETK-UHFFFAOYSA-N 374.462 2.735 0 50 FFAA COc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CCN(C)C2 3625052 UPVHXJLLLOXXCE-UHFFFAOYSA-N 359.451 2.955 0 50 FFAA COc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 4866592 UJJGWVAECHQZKN-LBPRGKRZSA-N 366.414 2.628 0 50 FFAA CCOc1ccc(NC(=O)CSc2n[nH]c(=O)n2-c2ccccc2)cc1 6492219 ACASNWVLBIXOMT-UHFFFAOYSA-N 370.434 2.690 0 50 FFAA COc1ccc(OC)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1 104432780 QGJADOMSLJGAKR-QGZVFWFLSA-N 350.503 2.619 0 50 FFAA COC[C@H](C)NC(=O)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 55054302 IAUIMYFCIQVOAV-AWEZNQCLSA-N 374.460 2.579 0 50 FFAA CC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1CCO 104639601 CDMMRHXWIHNPHL-HSZRJFAPSA-N 371.569 2.921 0 50 FFAA COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100632684 OJUKMBGNBORINC-CABCVRRESA-N 362.813 2.542 0 50 FFAA CCCCc1nc2c3c(C)c(C)n(CCCN4CCOCC4)c3ncn2n1 20624275 PYDCYUPVYZJTQF-UHFFFAOYSA-N 370.501 2.761 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)c1ccc(CSc2ncccn2)o1 65398473 IKRKHBRVAFKELC-UHFFFAOYSA-N 372.454 2.807 0 50 FFAA Cc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)o1 20600199 CHXUKAZFJOXBPL-INIZCTEOSA-N 374.510 2.674 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)N1CCC2(C=Cc3ccccc32)CC1 20535654 XYYQJKVHCIGIHV-UHFFFAOYSA-N 371.440 2.984 0 50 FFAA CCn1ccc2ccc(CN3CCC(C(=O)N4CCOCC4)CC3)cc21 67847073 XFECBYOALDKIGG-UHFFFAOYSA-N 355.482 2.732 0 50 FFAA CC(C)N1C[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)[C@H](C)C1 247515227 YRHCADKNYGSEBC-CRAIPNDOSA-N 359.514 2.807 0 50 FFAA C[C@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 64857887 HNLDBJMVKYEERT-SEFVSHJNSA-N 372.502 2.670 0 50 FFAA in-vitro CCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)s1 65407539 IBUKPPIFHZNSBE-LBPRGKRZSA-N 359.480 2.967 0 50 FFAA CC[C@H](C(=O)NCc1cccnc1Oc1ccccc1)N1CCOCC1 67919755 NACCWGUJZLTCHW-GOSISDBHSA-N 355.438 2.601 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)C2=Cc3ccccc3CC2)cn1 328627701 MYRLAKGIYXSBTA-RBUKOAKNSA-N 373.478 2.547 0 50 FFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CNC[C@H]1COc2ccccc2O1 252444541 ZSXGNGNMCAKDJZ-CADBVGFASA-N 373.493 2.786 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@H]2CCN(c3ccccc3)C2)c(F)c1 252500288 SRICLJOHLSAOOY-CQSZACIVSA-N 364.442 2.639 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CCc1nc2c3cnn(C)c3ncn2n1 2802427 CQVZJGJULOXPEJ-UHFFFAOYSA-N 372.436 2.599 0 50 FFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCCC[C@H]1CCn1cccn1 215560193 SMRHFZCJRSYFOC-INIZCTEOSA-N 350.422 2.810 0 50 FFAA CCOc1ccc(-c2ccnc(NCc3cnn(C)c3C)n2)cc1C(=O)O 77320260 XHRYQLPYHLDKDH-UHFFFAOYSA-N 367.409 2.895 0 50 FFAA O=c1oc2ccccc2n1C[C@H]1c2nc[nH]c2CCN1Cc1ccco1 72431505 JNYRNQZIIXJBHV-INIZCTEOSA-N 350.378 2.710 0 50 FFAA Cc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2nc1C 6473729 IHJZDPCGKGQTPI-UHFFFAOYSA-N 362.437 2.996 0 50 FFAA O=C(NCCCc1ccc(O)cc1)N1CCN(Cc2cccc(F)c2)CC1 504805180 JCSBIDKQVDLDSM-UHFFFAOYSA-N 371.456 2.991 0 50 FFAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)cc1Br 124300118 GQSIXRHLAXEFCS-JVXZTZIISA-N 361.186 2.501 0 50 FFAA CN1C[C@]2(CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)OC1=O 215777726 VTMQLQRHBMHJCP-NRFANRHFSA-N 373.497 2.578 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 363659297 IBZWVBFIOLSFPN-KBPBESRZSA-N 365.905 2.833 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)c(F)c1F 77485111 GRIMAQXYBOSTMI-UHFFFAOYSA-N 374.387 2.766 0 50 FFAA CC[C@@H](Cn1ccnc1-c1c(OC)ccc(F)c1F)N1CCOCC1 72428040 UWPDOZKZKVBUPD-ZDUSSCGKSA-N 351.397 2.948 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCC(OCc2ccccc2F)CC1 375656702 RPCXVPSSSQCEGC-FQEVSTJZSA-N 357.425 2.937 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@H](C)n3cccn3)CC2)OC1=O 77379246 APJBVMXVNBZTNN-INIZCTEOSA-N 362.474 2.838 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 371465212 BCIHAZNALVDOHT-KRWDZBQOSA-N 354.385 2.683 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(Cc3cnc(-c4ccco4)nc3)CC[C@H]21 72410144 TXOYJUMXCCWBMX-DLBZAZTESA-N 354.454 2.960 0 50 FFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 216042437 XIWWLJNSTCITCR-UHFFFAOYSA-N 373.416 2.828 0 50 FFAA CC1(C(=O)NC[C@@H](CO)c2cccnc2)CCN(Cc2ccccc2)CC1 377150181 ODEQJGBQFXOICA-FQEVSTJZSA-N 367.493 2.576 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)Nc2nc3ccccc3n2CC)n(C)n1 13640643 OMNYWKYZRYPTKF-UHFFFAOYSA-N 368.441 2.524 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1nc3ccccc3s1)C2 72478410 UQPPCUJXSGCDQJ-UHFFFAOYSA-N 356.451 2.916 0 50 FFAA CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCc1ccccc1 43936949 XNDRFJMBZVXYNJ-CQSZACIVSA-N 354.472 2.881 0 50 FFAA Cn1c(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)nc2cc(F)ccc21 175400669 BSKQXGPSNMHJRY-HNNXBMFYSA-N 370.384 2.939 0 50 FFAA NC1CCC(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 131900307 IUCBTYOTJHZKRK-UHFFFAOYSA-N 367.478 2.996 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F 172845660 NIIWGAAWMBSFPS-ZBFHGGJFSA-N 354.360 2.965 0 50 FFAA CCCc1ccc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)o1 222934205 OHAASSMCOMPNML-HXUWFJFHSA-N 369.469 2.650 0 50 FFAA CS(=O)(=O)Cc1ccccc1CNC(=O)NCc1cc2ccccc2o1 175890443 KZYHTPNXPBNIOM-UHFFFAOYSA-N 372.446 2.977 0 50 FFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1nc2ccccc2o1 426387358 XQEFCYSJDJFOPB-CQSZACIVSA-N 370.453 2.760 0 50 FFAA CC(C)(C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91644545 YRQBYQMNNSNVPU-UHFFFAOYSA-N 372.509 2.578 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 91645474 CDALTLCEIPBDHB-QGZVFWFLSA-N 353.470 2.865 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)NCCCn2ncc3ccccc32)n1 426690318 PFGFCJWHWRJYAX-INIZCTEOSA-N 354.414 2.665 0 50 FFAA CC(=O)NC[C@H]1CCC2(CCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)O1 96160764 HKOGKMKANFUQGM-QGZVFWFLSA-N 370.453 2.850 0 50 FFAA CC(C)Cc1cc(CN2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)n[nH]1 91713308 LCSIEWRMDGFSJV-NRFANRHFSA-N 374.529 2.602 0 50 FFAA Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 91915029 VZCRXWDTSDSTHG-PZJWPPBQSA-N 364.493 2.954 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 91950732 YJKDFRYRQDQQRE-KRWDZBQOSA-N 364.453 2.563 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)CCCC2)cc1 91747046 FANJRVBJTZNXEE-OAQYLSRUSA-N 370.493 2.978 0 50 FFAA CCCCn1nc(C2CC2)nc1-c1cccc(N2CCS(=O)(=O)CC2)c1 96180175 HTFTUXPMARDUMC-UHFFFAOYSA-N 374.510 2.857 0 50 FFAA CC[C@H](C(=O)NCc1cccc(-n2cccn2)c1)N1Cc2ccccc2C1=O 97745033 NODXZQXDXAHUOX-HXUWFJFHSA-N 374.444 2.923 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCCC[C@H]1CCn1ccnc1 91643255 UBJXPOAYQCHQTC-SFHVURJKSA-N 368.481 2.805 0 50 FFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nnc2n1CCCC2 92021432 CCMHQKPAMQMHAZ-CQSZACIVSA-N 350.422 2.851 0 50 FFAA Cc1cc(S(=O)(=O)Nc2ccccc2-c2nnnn2C(C)C)c(C)o1 181797553 BKAAQVFZPZZAGT-UHFFFAOYSA-N 361.427 2.932 0 50 FFAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCOc2ccccc21 299742880 JBHXTLUKQBVRSR-SJLPKXTDSA-N 364.401 2.846 0 50 FFAA O=C(Nc1ccccc1OCc1ccccn1)N1CCN2CCC[C@@H]2C1 299792587 GETJULIRWREQBN-QGZVFWFLSA-N 352.438 2.973 0 50 FFAA Cc1cnc(C)c(N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc3c(c2)CCO3)n1 1940195093 LPMNYHHJGKUNPQ-ROUUACIJSA-N 364.449 2.522 0 50 FFAA CCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccncc3)CC2)c1 299774848 ISRBRDPCFRNHKC-UHFFFAOYSA-N 368.437 2.907 0 50 FFAA O=C(CCN1CCCCCCC1)N[C@H]1CCCN(Cc2cccnc2)C1 299793297 IGSSQOPGVWKFCI-FQEVSTJZSA-N 358.530 2.818 0 50 FFAA CN1CCC(O)(CNC(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 299785241 KGKGPMLCYNIHHS-CMDGGOBGSA-N 366.465 2.830 0 50 FFAA O=C(c1ccc(N2CCCC2)cc1)N1CCC(O)(c2ccccn2)CC1 299758250 QHKYUGPBXYGCLX-UHFFFAOYSA-N 351.450 2.806 0 50 FFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1ccccc1N1CCOCC1 823680699 WEEURCIZOBWBJR-OAQYLSRUSA-N 367.493 2.898 0 50 FFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCCCc1ccc(O)cc1 584888537 WBKFSEXLNMZBRV-QGZVFWFLSA-N 373.497 2.757 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(Cn2cnnn2)cc1 952972802 WJQNVQZZLSBFHS-UHFFFAOYSA-N 358.405 2.542 0 50 FFAA O=C(c1cncc(NCCN2CC[C@@H](c3ccccc3)C2)n1)N1CCCC1 952990266 UKYFYUKNKOFGRU-GOSISDBHSA-N 365.481 2.614 0 50 FFAA Cc1ccc(NC(=O)Cn2c(=O)cc(C(N)=O)c3ccccc32)cc1Cl 408516865 ZRJIJSWURAYSRE-UHFFFAOYSA-N 369.808 2.701 0 50 FFAA Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(-n2cccc2)c1 170620122 FUZFAQAISMALRX-UHFFFAOYSA-N 350.831 2.973 0 50 FFAA CC[C@@]1(CO)CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 190298111 ZMJQEGMONUTPCU-HXUWFJFHSA-N 360.498 2.929 0 50 FFAA C[C@H](NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[C@H](O)c1cccc(F)c1 771732272 JEECLSFYEAVUFM-SJCJKPOMSA-N 374.387 2.922 0 50 FFAA COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)C1 772931105 SEPOANLTLXHUOE-HZPDHXFCSA-N 370.453 2.777 0 50 FFAA O[C@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1Cc1cnccn1 1615734632 GYHHLBQWUMEVOW-YWZLYKJASA-N 372.900 2.634 0 50 FFAA CN(C)c1ccc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cn1 1615937329 PWQFMTFFRWPRIA-RXVVDRJESA-N 362.477 2.731 0 50 FFAA CC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506411333 IPERZUUJBIWWPN-INIZCTEOSA-N 352.500 2.500 0 50 FFAA Cc1cccc(Nc2nc(N)nc(CN(C)Cc3nc(C)cs3)n2)c1 1529133584 QBUZGCMUBRLDJA-UHFFFAOYSA-N 355.471 2.903 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 11662070 UGSZCUWOMXMTLT-CYBMUJFWSA-N 356.405 2.639 0 50 FFAA Cc1ccccc1N1CCN(c2ncccc2CNCc2ncc[nH]2)CC1 11664212 XKFKIUZSRIWICQ-UHFFFAOYSA-N 362.481 2.730 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3ccc[n+]([O-])c3)C2)cc1 12049746 GCTRYGALPIDUJX-NRFANRHFSA-N 367.493 2.913 0 50 FFAA CC1(C)C[C@H](CN2CCC(CCC(=O)N3CCOCC3)CC2)CCO1 12050785 AQIGWSDSFWVOAY-GOSISDBHSA-N 352.519 2.543 0 50 FFAA O=C(CS[C@H]1CCc2ccccc2NC1=O)NC[C@@H](O)c1ccccc1 12406728 VCQCHTGPZIDAIP-MSOLQXFVSA-N 370.474 2.523 0 50 FFAA Cn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCc1ccccn1 15070550 PWGRDFHGIKIZQR-UHFFFAOYSA-N 371.441 2.614 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)C[C@@H]2CCO)cc1 19742584 YWZSSJWJVKLBGT-QFIPXVFZSA-N 359.558 2.736 0 50 FFAA COc1ccccc1-n1nnc(C(=O)Nc2ccccn2)c1-c1ccncc1 206647368 PVZGICVCPYFSFH-UHFFFAOYSA-N 372.388 2.985 0 50 FFAA Cc1nc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)cs1 1875248083 XIFMDEKBHVFDEL-IBGZPJMESA-N 370.478 2.945 0 50 FFAA COc1cc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)ccc1Cl 333293313 OXECXEHDHNKISR-ZBFHGGJFSA-N 352.862 2.707 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2cc(CN3CCOCC3)ccc2C)s1 127328109 CXYMLSRCCPTGEV-UHFFFAOYSA-N 366.508 2.998 0 50 FFAA CCN(C(=O)COC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1nc2ccccc2s1 909564364 UNGGEZMLIOOXHL-CJYCNLPLSA-N 372.446 2.616 0 50 FFAA O=C(N[C@H](Cc1ccccc1)c1nc(O)n[nH]1)[C@H]1CCc2cc(F)ccc21 913560773 GFNFOHNBOXGABU-DLBZAZTESA-N 366.396 2.779 0 50 FFAA O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc2oc(O)nc2n1 816952887 USTBPALVTCAEBR-UHFFFAOYSA-N 353.256 2.809 0 50 FFAA O=S1(=O)CCN(Cc2ccc(-c3cccc4nsnc34)cc2)CC1 952882365 QBLRMKAONFMAPB-UHFFFAOYSA-N 359.476 2.589 0 50 FFAA Cc1cccc2nc(CNC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)n(C)c12 1875393834 MRLIIXHKCIHDLR-NEPJUHHUSA-N 353.426 2.557 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)[C@@]1(C2CC2)CCCO1 1875330687 YATPVXRRRCHKHH-DYXWJJEUSA-N 357.450 2.869 0 50 FFAA COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(CO)c(C(=O)O)c1)C2 1875313800 VIIVWSBVNIQELJ-CQSZACIVSA-N 355.390 2.629 0 50 FFAA O=C(C1CN(c2ncc(F)cn2)C1)N1CC2(CCCC2)[C@H]1c1ccco1 1875404228 ADNQKPNWVMCZJP-MRXNPFEDSA-N 356.401 2.789 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 886088670 HVFLMKXKIMFFFQ-SYQHCUMBSA-N 352.316 2.562 0 50 FFAA Cc1c(CC(=O)N[C@@H]2CNC(=O)C2)c(-c2ccccc2)nc2ccccc12 2325734819 DJRYZGGHIKAWFP-INIZCTEOSA-N 359.429 2.757 0 50 FFAA COc1cccc2c1CCN(C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)CC2 2325762188 UEMDBDQOZDYFHX-KRWDZBQOSA-N 358.482 2.660 0 50 FFAA O=c1nc(O)ccn1CCCNc1ncnc2sc3ccccc3c12 2325852431 FPMNTJKREWYHHA-UHFFFAOYSA-N 353.407 2.609 0 50 FFAA CC(=O)N[C@H]1C[C@H]2C[C@@H](NC(=O)c3cc(F)cc4cnccc34)C[C@H]2C1 2325855149 KBJNZYZSZUKIRB-AZQPONJRSA-N 355.413 2.797 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)C1 2325889454 RCSHEFHRPJMVJJ-NQIIRXRSSA-N 370.493 2.692 0 50 FFAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 804776 CEGZDFAUDMSJAG-FZKQIMNGSA-N 354.406 2.993 0 50 FFAA Cc1cc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)no1 814942 PFLFEOGTUVXNCI-GFCCVEGCSA-N 350.172 2.877 0 50 FFAA Cc1cccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c1C 1146044 IIHWVKJMEVOKLC-UHFFFAOYSA-N 352.500 2.908 0 50 FFAA Cc1nc2ccnn2c(N2CCC3(CC2)C(=O)N(C)c2ccccc23)c1C 2356167038 GMCZWKLRRZZOOZ-UHFFFAOYSA-N 361.449 2.861 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 4756766 QDIJTPUGGCTKBI-HNNXBMFYSA-N 374.462 2.705 0 50 FFAA CCO/C(C)=C\c1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)O 4948319 BPBCWOYOESHQJU-BENRWUELSA-O 372.488 2.873 0 50 FFAA CN(C)C(=O)[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 222007119 HZLVNEYSWYPEEP-DKLHHVSNSA-N 357.450 2.690 0 50 FFAA COc1cc(CN2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc(OC)c1O 100610122 MSURZBNKYVTSRB-RYQLBKOJSA-N 358.482 2.739 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)Cn1ccnc1)CCO2 67785726 FBHGIBLRUADEOF-UHFFFAOYSA-N 363.417 2.985 0 50 FFAA O=c1n(CCCc2cccnc2)nc([C@@H]2CCCNC2)n1-c1ccccc1 67935063 HYXMMNLVRNKLKZ-GOSISDBHSA-N 363.465 2.529 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@H]1Cn1cccn1 65425826 RUJABUJNYJFMNY-VIFPVBQESA-N 361.755 2.594 0 50 FFAA Cn1ccnc(N2CCC[C@H](N[C@@H]3CCC[C@H]3c3ccc(F)cc3)C2)c1=O 328633749 MGNGRGVNTUIXEJ-GBESFXJTSA-N 370.472 2.814 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CCC(O)(c2ccc(F)cc2)CC1 65396299 ALJPKHMFTTZGSK-UHFFFAOYSA-N 366.396 2.530 0 50 FFAA Cn1cc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)cn1 12053151 RPHCGRMSVSKQDJ-HXUWFJFHSA-N 356.445 2.574 0 50 FFAA CC[C@H]1c2cccn2CCN1C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 11664561 JDCVRCKFZMDYNM-KRWDZBQOSA-N 352.442 2.680 0 50 FFAA CC(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1390165 VXVRDWPMOGCSKD-UHFFFAOYSA-N 360.863 2.628 0 50 FFAA Cc1c(Br)c(C(=O)NCc2ccc(-n3cccn3)cc2)nn1C 2756170 ACVUYLBYYDMISA-UHFFFAOYSA-N 374.242 2.607 0 50 FFAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 34587029 AWCMBJJPVSUPSS-YJYMSZOUSA-N 367.401 2.544 0 50 FFAA Cc1cccc(C[C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C(=O)O)c1 123806202 ZUGOMWKBGGVHHO-QGZVFWFLSA-N 366.417 2.553 0 50 FFAA CCn1cnnc1C1CCN(CC(=O)N(c2ccccc2)C(C)C)CC1 152191966 IUQGVYBVRBWVES-UHFFFAOYSA-N 355.486 2.919 0 50 FFAA COC1(c2ccccc2)CN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 367572862 BPPQKPVXODNZSB-VWLOTQADSA-N 362.426 2.953 0 50 FFAA CNC(=O)c1noc(Cn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)n1 77486476 YJPPGWCMUMGNLC-UHFFFAOYSA-N 371.400 2.912 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCC[C@@H](C)C2)C1 71750176 XUDNPOBAKQVVLX-CQSZACIVSA-N 351.454 2.680 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl 72151937 XDLRPUUZZQRCIR-SECBINFHSA-N 351.708 2.675 0 50 FFAA CC(C)[C@H]1CN(Cc2nccn2C)CCC(=O)N1Cc1ccc(F)cc1 71730581 OHYYMWKOAATGPU-GOSISDBHSA-N 358.461 2.818 0 50 FFAA CN(C(=O)C1CCS(=O)(=O)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 377112338 OWRUFKGLMOYISX-IAGOWNOFSA-N 365.495 2.516 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237632150 IQPLODITMDJLMJ-DZGCQCFKSA-N 367.478 2.948 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[C@@H](C(=O)O)C1 237669516 NKXCACOJJKYVMU-CQSZACIVSA-N 361.829 2.748 0 50 FFAA O=C(Oc1ccc2cn[nH]c2c1)[C@@H]1CCCCN1C(=O)c1cccnc1 131993836 JMBKXNOVJRSFHW-KRWDZBQOSA-N 350.378 2.558 0 50 FFAA COc1ccccc1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 192213231 NWHPJKPHSCANJO-FQEVSTJZSA-N 368.477 2.645 0 50 FFAA Cc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccncc3)CC2)cs1 221294331 KLPRIPIYVXEKFY-GFCCVEGCSA-N 358.467 2.576 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)c1c[nH]nc1C1CCCCC1)CC2 426740361 DSBVNVIBPIPMRV-UHFFFAOYSA-N 355.442 2.502 0 50 FFAA CN(CCc1cnn(C)c1)C(=O)NCC1(N2CCCCC2)CCCCC1 426647856 BKFJLHDNIKSBQW-UHFFFAOYSA-N 361.534 2.793 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-c2nccn2C)c1 426403469 GYVMXQHQBVOIQF-GOSISDBHSA-N 350.422 2.942 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ccncc1Cl 220753171 QGGRGVNUSFECCS-JRSKDTKFSA-N 358.825 2.912 0 50 FFAA CC(C)(NS(=O)(=O)c1cccc2c1OCCO2)c1ccc(F)c(F)c1 175898253 QAXJPUWNCPEIST-UHFFFAOYSA-N 369.389 2.950 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)n1 426734172 VIPYUPKECHMMIL-QGZVFWFLSA-N 355.486 2.810 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c1C 82162230 IQXTWTXUWSOCAO-KRWDZBQOSA-N 361.486 2.551 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cn(C)nc1C)CC2 426661150 BALRLPURNRXDCG-WSTZPKSXSA-N 356.470 2.715 0 50 FFAA CCN1CCC(CC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 95506557 MDKJYUKLVQJQRW-OAQYLSRUSA-N 356.466 2.745 0 50 FFAA CCN1C[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CC1=O 91782295 MWOIUOMCEGXNPH-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)n[nH]1 426477406 OBTDHTGCDGSSLQ-MRXNPFEDSA-N 350.426 2.704 0 50 FFAA CC[C@@]1(CO)CCCN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 291929221 OFIFPYNIYQGQSX-HXUWFJFHSA-N 360.502 2.684 0 50 FFAA O[C@@H]1CN(Cc2ccccc2)CCN(c2nnc(-c3ccccc3)s2)C1 95506085 QTNIEKJNCZPRDE-GOSISDBHSA-N 366.490 2.888 0 50 FFAA COCc1cccc(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)n1 97604140 SWRTXBCVLVLFNZ-SFHVURJKSA-N 350.422 2.986 0 50 FFAA CNC(=O)CCN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95365807 GICHOXMTPHUVQU-LJQANCHMSA-N 355.526 2.857 0 50 FFAA CO[C@](C)(C(=O)Nc1ccc(I)c(C)n1)C1CC1 293480056 XOHRZIQVXBLUBL-ZDUSSCGKSA-N 360.195 2.748 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 179965797 LBLIQCMEZHABOP-KBPBESRZSA-N 352.312 2.754 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N(CCC(=O)O)C1CCOCC1 299748703 HXDXAAZVYYSRKS-UHFFFAOYSA-N 355.818 2.510 0 50 FFAA CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H](CN)C1 299739666 RFGFPVNTRPKHEJ-DOMZBBRYSA-N 355.276 2.660 0 50 FFAA CCOc1ccc2cc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)[nH]c2c1 299749335 JZEUXTHADDHCJZ-HNNXBMFYSA-N 360.410 2.663 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnn(CCO)c3)cc2)cn1 534581045 GHELRTZZECFEOT-OAHLLOKOSA-N 350.422 2.737 0 50 FFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100332238 HWTUKDWYHZKAKP-OSTYVCCYSA-N 371.746 2.912 0 50 FFAA C[C@@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1nncn1C1CCCC1 299758634 LLKGVRVXUWWMJZ-GFCCVEGCSA-N 366.425 2.980 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2ccc3cccnc3c2)CC1 299786140 MWYABJYTNAUUQO-GOSISDBHSA-N 365.437 2.946 0 50 FFAA O[C@@H]1CN(Cc2cscn2)CC[C@H]1Nc1ccc(C(F)(F)F)cn1 299798239 WULBGUVKTZDRFM-CHWSQXEVSA-N 358.389 2.604 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cs1 299792229 FMXUNDONCPZBCR-HNNXBMFYSA-N 368.462 2.942 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)N(C)Cc2cc(C(C)C)on2)c1 299792453 GOZKLTNMKLUBNL-UHFFFAOYSA-N 355.402 2.746 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc(OCc2ccccn2)cc1 299779537 RYVCJIZAACVNJB-OALUTQOASA-N 370.453 2.501 0 50 FFAA COc1ccccc1OCc1nc(C2(C)COC2)n(-c2cccnc2)n1 824827595 OIGOMMHGFBXYGQ-UHFFFAOYSA-N 352.394 2.538 0 50 FFAA COc1ccc(F)c(F)c1C(=O)NCc1nncn1CCc1ccccc1 824641474 QWMACKIWJZHNLT-UHFFFAOYSA-N 372.375 2.738 0 50 FFAA O=C1C[C@@H](CNS(=O)(=O)Cc2cccc(Cl)c2)CN1C1CCCC1 670437950 WOLQNVMGPODWHV-AWEZNQCLSA-N 370.902 2.551 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c(Br)c1 269946634 NJWDBDAOWMISLA-ZDUSSCGKSA-N 363.259 2.901 0 50 FFAA Cn1ccnc1CN(Cc1cc(F)c(F)c(F)c1)[C@@H]1CC12CCNCC2 275511666 BRZPWQCBOAUFRK-MRXNPFEDSA-N 364.415 2.982 0 50 FFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(Oc2cnccn2)cc1 275613929 REJIZUYEABXCGO-WMZOPIPTSA-N 351.410 2.622 0 50 FFAA Cc1cc2ncn(C[C@H](O)COc3ccc4c(c3)NC(=O)CC4)c2cc1C 187351578 JSKCFFNRGWCMMG-INIZCTEOSA-N 365.433 2.978 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@H]1CC(c2cc(F)ccc2F)=NO1 170625920 OOTVEQYBZLWMRD-SCLBCKFNSA-N 358.344 2.578 0 50 FFAA Cc1cc(-c2cc(C(=O)NC3(C(=O)O)CC3)c3c(C)noc3n2)c(C)o1 191075304 RQOZTFVQBNNPJB-UHFFFAOYSA-N 355.350 2.755 0 50 FFAA Cc1ccc2oc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2n1 192211103 DMNHULKBAFZDRR-OAHLLOKOSA-N 367.380 2.806 0 50 FFAA C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1F)Oc1cccnc1 1506404472 UOKNRAHCOOPYJQ-LLVKDONJSA-N 358.822 2.761 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1C 1506397629 AYXKOQOXDAWRPP-UHFFFAOYSA-N 352.394 2.719 0 50 FFAA NCCN1C(=O)CC[C@@H]2CN(Cc3ccc(-c4ccco4)cc3)CC[C@@H]21 217002453 LKAFIILSYIANAK-MOPGFXCFSA-N 353.466 2.718 0 50 FFAA CC(=O)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5613544 RSJMCKIGRKYPGT-UHFFFAOYSA-N 355.781 2.891 0 50 FFAA O=C(CCC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCOCC1 12454881 IACGWOBWNDNWLG-UHFFFAOYSA-N 352.425 2.816 0 50 FFAA CC1(C)C[C@H](NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CCO1 12719119 DUSNEUYWGNCLGS-GFCCVEGCSA-N 374.393 2.670 0 50 FFAA CC[C@H](C(=O)Nc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712257 RTTOVIOXAHHAQZ-OAHLLOKOSA-N 367.858 2.918 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCc3csc(C)n3)nc2)C1 15065857 KKWFCAQIYNWEDB-AWEZNQCLSA-N 360.483 2.957 0 50 FFAA O=C(NCc1ccco1)c1cnc2scc(-c3ccccc3)n2c1=O 16649826 KFXRVYPZQCTEMV-UHFFFAOYSA-N 351.387 2.946 0 50 FFAA O[C@@]1(c2ccc3c(c2)OCCO3)C[N+]2=C(SCCC2)N1c1ccccc1 17179599 GEAKLJKMRKXCFE-HXUWFJFHSA-N 369.466 2.629 0 50 FFAA CC1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 18250439 QIKKPSGTXXAHGI-AWEZNQCLSA-N 351.244 2.813 0 50 FFAA CCOC(=O)[C@H]1OC2(O[C@H]1C(=O)OCC)c1ccccc1-c1ccccc12 169454012 UPMROZOSXABACL-HDICACEKSA-N 368.385 2.778 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cn3)[C@H](C)C2)c2c(C)noc2n1 1857710692 KLBXCRRYSRPQRP-GFCCVEGCSA-N 369.400 2.725 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3)C1CCC1 1857717889 DEUHFAVJYQXBRW-GPQLQYNLSA-N 354.494 2.625 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@]34CC[C@H]2O4)s1 1857722205 FLLDXOZLAGFYSU-QCBUCWTNSA-N 374.506 2.592 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(CC(F)(F)F)CC2)cn1 328631170 KDUGMWMNEAHZBX-JKSUJKDBSA-N 360.424 2.739 0 50 FFAA Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(OC(C)(C)C)cn3)C2)n(C)n1 332480896 YSKJWKXVTZKVCW-OAHLLOKOSA-N 371.485 2.700 0 50 FFAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)c3cc(C)oc3C)C[C@@H]21 248257710 UBMGWCSDKBJELF-YWZLYKJASA-N 371.389 2.608 0 50 FFAA Cc1nnc(CNC(=O)C(F)(F)c2ncc(C(F)(F)F)cc2Cl)o1 902807718 OAOGNRXKMWYODY-UHFFFAOYSA-N 370.665 2.853 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(OC(F)F)cc3)C1)CC2 1704336212 HAQDTTHAYNJDFG-LJQANCHMSA-N 374.391 2.780 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1nccc(OCc2ccccc2)n1 1875398357 MSVOLKFKGDTXSG-KZNAEPCWSA-N 365.437 2.504 0 50 FFAA O=C(Cc1cnn(-c2ccccc2)n1)NCc1cc(C(F)(F)F)ccn1 1875313710 XUJMNQVGFVPNAC-UHFFFAOYSA-N 361.327 2.540 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nnc(C)o3)[C@H]2C)cc1 1875366950 BZQTYTWIWXAFBL-MLGOLLRUSA-N 354.410 2.911 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cccc4c3OC(C)(C)C4)C2)n1 886096674 IMZDWNLMRPGRGA-FQEVSTJZSA-N 357.454 2.661 0 50 FFAA Cc1csc(C[C@@H]2CCN(C(=O)Cc3nnc(O)c4ccccc34)C2)n1 886239733 DWMNPMGIDWEIDL-ZDUSSCGKSA-N 368.462 2.734 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(Oc2cccnc2)cc1 887021219 ZHYVOFSMNKSKAC-QZTJIDSGSA-N 354.406 2.534 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@@H]1CC=CC[C@@H]1C(F)(F)F 888093012 XKZGCTNKNGWLCS-QWHCGFSZSA-N 368.359 2.608 0 50 FFAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Cl)c1)C2 888095501 ZVTAUTSBKNTSEE-XLMAVXFVSA-N 354.853 2.689 0 50 FFAA OC1(C(F)(F)F)CC(CNc2cncc3ncnn23)(c2ccccc2)C1 897351185 VUDPNTVHNFSICQ-UHFFFAOYSA-N 363.343 2.561 0 50 FFAA CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 2325794551 HBPTYEGAGYQKQG-AEFFLSMTSA-N 374.481 2.694 0 50 FFAA C[C@@]1(Cc2nc(CCO)nn2-c2ccc(C(F)(F)F)cc2)CCCO1 2325849605 VIORZGFCMHPYMX-INIZCTEOSA-N 355.360 2.933 0 50 FFAA COc1cc(C(=O)Nc2ccc(Cl)cc2)c(-n2cnnn2)cc1OC 924366 PKOHGPBTZAZIIN-UHFFFAOYSA-N 359.773 2.585 0 50 FFAA NC(=O)C1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 1115792 SEAOFCMQDKGKNU-UHFFFAOYSA-N 365.644 2.750 0 50 FFAA O=C(CCn1c(CO)nc2ccccc21)NCc1cccc2ncsc12 2356135021 MNUASECURPVYBC-UHFFFAOYSA-N 366.446 2.845 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCC(Cc4ccc(O)nc4)CC3)nc21 2356135111 PVCHFZQQARUBDV-UHFFFAOYSA-N 350.422 2.769 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356137569 QANOHDMTABKXPG-CRAIPNDOSA-N 371.909 2.710 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCCC[C@@H]1CCN1CCCC1 102845873 GSGLNWVCGKDPOQ-MRXNPFEDSA-N 362.543 2.893 0 50 FFAA COc1cc(CC(=O)NCC2(N3CCCCC3)CCOCC2)ccc1C 109982176 LMBJRHSTZKEVBI-UHFFFAOYSA-N 360.498 2.697 0 50 FFAA COC(=O)c1cccc(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)c1 225441999 UTNUSTKTXDAMTQ-KRWDZBQOSA-N 365.389 2.878 0 50 FFAA O=c1cc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)[nH]c2ncnn12 102815469 FTJCVQCCLYFIMM-ZDUSSCGKSA-N 373.407 2.541 0 50 FFAA CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1C 65363188 QKIAXFFZNMWQEB-DOTOQJQBSA-N 352.500 2.542 0 50 FFAA CC(C)CC1(NC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 67690468 LWHOXNKQOWTJLU-HXUWFJFHSA-N 366.452 2.987 0 50 FFAA COC[C@@H](NC(=O)c1sc(C)nc1-c1ccccc1)c1ccnn1C 65493497 LRYIEKWAQRCMNO-CQSZACIVSA-N 356.451 2.970 0 50 FFAA NC(=O)COc1ccc(Cl)cc1CN1CCc2[nH]nc(C3CCC3)c2C1 23367295 VAXJHEJOKSOFND-UHFFFAOYSA-N 374.872 2.753 0 50 FFAA Cc1nc(NCC[C@H]2COc3ccccc3O2)cc(C2CCNCC2)n1 67983020 MGTQATRCHGXWFN-INIZCTEOSA-N 354.454 2.894 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 65363887 QNAHKLGZVZBQQO-UHFFFAOYSA-N 373.888 2.762 0 50 FFAA O=C(NCc1csc(-c2ncccn2)n1)C1(N2CCCC2)CCCC1 65459900 BLHAXWIJIAIAFK-UHFFFAOYSA-N 357.483 2.625 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3nccs3)cnn2c1 67921255 BXYLGDQJAJAMLY-LBPRGKRZSA-N 358.471 2.519 0 50 FFAA CCc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc1 39372044 MSOSKTIEKGGDTN-HSZRJFAPSA-N 373.585 2.990 0 50 FFAA CCCc1ncncc1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 216053187 GFVLMBYECCNBKB-LJQANCHMSA-N 353.470 2.781 0 50 FFAA O=C(c1n[nH]cc1Cl)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71388780 WWNDIGPSASRLOA-ZTFGCOKTSA-N 356.857 2.766 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@H]2CCCC[C@H]2C)o1 328609379 DBBDJIMCZQIWAV-ILXRZTDVSA-N 351.447 2.688 0 50 FFAA COc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)O)o3)c2)cc1 431518200 KMOIYBSCXAUZDC-UHFFFAOYSA-N 352.346 2.978 0 50 FFAA CN(C)Cc1nc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cs1 72410159 BTKQPEFHGQNGKL-UHFFFAOYSA-N 355.467 2.663 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 154397259 PPUOKIOWIBWFRF-MRXNPFEDSA-N 367.428 2.815 0 50 FFAA Cc1ccnc(C2CCN(C(=O)CCc3nc(-c4ccoc4)no3)CC2)n1 363822229 JXWNQXAKHXPYCF-UHFFFAOYSA-N 367.409 2.767 0 50 FFAA COc1ccc(Cn2cc(-c3nc(-c4cn5ccccc5n4)no3)nn2)cc1 72122616 KGEXUMPBFHAVHM-UHFFFAOYSA-N 373.376 2.700 0 50 FFAA O=C(Nc1cccnc1N1CCCC1)N1CC[C@H](Oc2cccnc2)C1 127886136 HDXHUQCHDRVUJR-INIZCTEOSA-N 353.426 2.762 0 50 FFAA Cc1ccc(CNC(=O)c2ccc(C(=O)O)cc2F)c(O[C@@H]2CCOC2)c1 262776203 LTLVMJDPINTTOK-OAHLLOKOSA-N 373.380 2.930 0 50 FFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(N(C)c2ccccc2)CC1 130260695 QOMJBZCLNPUVCQ-IBGZPJMESA-N 372.513 2.696 0 50 FFAA O=C(c1cc(F)cc2cccnc12)N1CCC[C@@H](CN2CCOCC2)C1 131905490 XNPDNTRLKUGURX-HNNXBMFYSA-N 357.429 2.558 0 50 FFAA CC(C)(O)c1cn(C2CCN(C(=O)c3cccc(Cl)c3F)CC2)nn1 48482761 RQEKANRBICGZHC-UHFFFAOYSA-N 366.824 2.775 0 50 FFAA C[C@H](O)Cc1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48218415 KLNRSDFXFJMDJW-INIZCTEOSA-N 362.518 2.801 0 50 FFAA O=C(NCCCN1CCC(O)CC1)N1CCCC[C@H]1c1cccc(F)c1 426726721 HALAOSXGWWFGLV-IBGZPJMESA-N 363.477 2.909 0 50 FFAA O=C1CCCN1Cc1ccccc1CN[C@H]1CCOC2(CCOCC2)C1 82137890 IAZCSTISYKFBAF-IBGZPJMESA-N 358.482 2.627 0 50 FFAA COc1cccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c1O 82139193 STRZTAIHEJBWPM-CQSZACIVSA-N 354.406 2.587 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)NC1CCN(c2ccccc2F)CC1 220587898 BQFKLLGQWWCFBL-UHFFFAOYSA-N 372.444 2.656 0 50 FFAA Cc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc(=O)[nH]1 82092753 WMOOOHORQAISFQ-UHFFFAOYSA-N 364.449 2.898 0 50 FFAA COc1cccc2c1OC[C@H](Cc1ccc(N3CCSCC3)nn1)C2 95359070 VJIYDNHQUNCWFA-AWEZNQCLSA-N 357.479 2.832 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)c1cnnc(-c2ccccc2)c1 290673412 JMXOLZGTUPWMLV-UHFFFAOYSA-N 360.421 2.877 0 50 FFAA COCc1ccc(C(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)s1 97447110 QEVJZLJHVQGOAU-CQSZACIVSA-N 358.463 2.698 0 50 FFAA CC1(C)SC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)NC1=O 95376003 MWCGZTYMVMGGCE-QGZVFWFLSA-N 360.523 2.868 0 50 FFAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]2C=C[C@H]1O2 239159528 MHACSZDDSGFEPR-DDHJBXDOSA-N 359.712 2.534 0 50 FFAA CC(C)N1C[C@H](CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 426489979 FXALVWCKLVXULJ-SFHVURJKSA-N 373.497 2.634 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccnnc2)C1 95496992 DSBQLUOUPZONAH-KRWDZBQOSA-N 368.481 2.512 0 50 FFAA O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239173973 PALHJXZCKYUWFS-YXUGBTPSSA-N 374.396 2.956 0 50 FFAA CN(C)c1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cc1 91475474 KNFSHOPMWTVFOC-QGZVFWFLSA-N 357.498 2.593 0 50 FFAA CN1CC2(CCN(C(=O)c3cccn3C)CC2)C[C@H](c2ccccc2)C1=O 95362526 DSIGIOVIHJRXTG-GOSISDBHSA-N 365.477 2.893 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F 95352558 AHOORDZJDZYARN-IBGZPJMESA-N 352.413 2.931 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccc3c(c1)OCCCO3)C2 91973717 JXVDXXLKEYSDKY-MRXNPFEDSA-N 369.417 2.724 0 50 FFAA COCC[C@]1(O)CCN(C2CCN(c3cccc(F)c3)CC2)C[C@H]1C 91547092 MUQSPHVAZOKBHT-OXQOHEQNSA-N 350.478 2.904 0 50 FFAA CC[C@@H](O)Cn1nc(CCOC)nc1-c1ccc(N2CCCCC2)cc1 91757164 HGQSBOMBPJDSKX-GOSISDBHSA-N 358.486 2.895 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95507848 YJITYLAMAFWOKO-CVEARBPZSA-N 366.465 2.514 0 50 FFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N1CCC(O)(c2cccnc2)CC1 95353626 VSCSMUXNAFBIRA-AZUAARDMSA-N 371.525 2.936 0 50 FFAA Cc1cc(C)c2c(N(C)C[C@H]3CC(=O)N(C4CCCC4)C3)ncnc2n1 95370586 MEGCJAIBFNPVIC-OAHLLOKOSA-N 353.470 2.869 0 50 FFAA Cc1ccn2c(=O)cc(CN(C)Cc3ccc4nsnc4c3)nc2c1 244817191 SVVKZIKLSVXDNI-UHFFFAOYSA-N 351.435 2.640 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)NCCc2nc3ccccc3o2)c1C 252505504 VSAQJHZHGFPRKD-UHFFFAOYSA-N 354.410 2.593 0 50 FFAA CCc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc(O)n1 253535299 QJPQKQGWYGVINL-NQYLQCIDSA-N 368.433 2.527 0 50 FFAA O=C(CCc1nc(O)c2ccccc2n1)Nc1ccc2c(c1)OCC(O)=N2 252499848 SGHXXDNBPPJMKR-UHFFFAOYSA-N 364.361 2.887 0 50 FFAA COCCn1ccc2c(OCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)cccc21 263588932 ZZWYXYFCTKHNNF-YESZJQIVSA-N 354.450 2.995 0 50 FFAA O=C1C[C@@H](C(=O)NCCCc2nc3ccccc3[nH]2)C2(CCCCC2)O1 299782680 SYHPWKBGEIRGSU-AWEZNQCLSA-N 355.438 2.878 0 50 FFAA Fc1ccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1C(F)(F)F 299765927 ZXPXKGBRWQMLMH-GJZGRUSLSA-N 356.323 2.782 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 1073315768 RVQAAPQNGPFFIJ-OCCSQVGLSA-N 367.396 2.506 0 50 FFAA C[C@@H](NC(=O)N1CCCN(c2ncccn2)CC1)c1ccc(F)cc1F 584892035 MPBXSUHUCZSUFH-CYBMUJFWSA-N 361.396 2.738 0 50 FFAA COc1cccc(-n2cc(-c3ccnc(N4CCSCC4)n3)cn2)c1 48351487 CEGRCOPATJCJGF-UHFFFAOYSA-N 353.451 2.891 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1CCC(=O)NC 952965822 AOZHBHKZTZILPM-HXUWFJFHSA-N 365.477 2.751 0 50 FFAA COCCN1CC[C@@H](CNCc2c(OC)ccc3ccc(OC)cc23)C1 952973666 HUSLVMSGDIVYST-INIZCTEOSA-N 358.482 2.915 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CCc1n[nH]c2c1CCCC2 952989525 VXFPGNVSFQWUNN-UHFFFAOYSA-N 355.486 2.872 0 50 FFAA CC[C@@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)n1cccn1 952978765 FFYWOVCWMJKNHS-HNNXBMFYSA-N 354.414 2.655 0 50 FFAA O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CCC[C@@H](O)C1 187493767 RBFGFUHSYWSGAO-ROKHWSDSSA-N 353.850 2.591 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN(c2ncc(Cl)cc2F)CC1 1772818614 IBGRJVPRMAAKBS-UHFFFAOYSA-N 366.824 2.760 0 50 FFAA CCSCc1nc(COc2ccccc2OC)nn1-c1ccnn1C 1772819678 ZFASEXDPWXYYMB-UHFFFAOYSA-N 359.455 2.842 0 50 FFAA CC(C)(C)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 12302786 ACHUOHJFFTWAHC-GOSISDBHSA-N 372.557 2.920 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)CCCn2cncn2)C1 12710121 CSMAAHHANVVECW-HNNXBMFYSA-N 370.501 2.976 0 50 FFAA Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3cccs3)ccc21 13135625 REFYIWYZWWUTEB-UHFFFAOYSA-N 370.478 2.762 0 50 FFAA CCOC(=O)N1CCC(N2CCC[C@H](CCC(=O)N3CCCC3)C2)CC1 15066322 IKHLRULBABKYGW-QGZVFWFLSA-N 365.518 2.722 0 50 FFAA Cc1ccccc1CS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 16577636 GILYFCDNSVWULH-UHFFFAOYSA-N 371.462 2.735 0 50 FFAA Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2 169779859 QWAYYPHHPSVIHH-UHFFFAOYSA-N 374.441 2.862 0 50 FFAA COc1cnc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)nc1 1857668543 JMMHWSHHXPBUDX-SJLPKXTDSA-N 355.438 2.737 0 50 FFAA CSCC(=O)NC[C@H]1[C@H]2CN(CCCc3ccccc3)C[C@]23CC[C@H]1O3 1857710664 JLNNJMZWTNSGBT-QEUVDIPISA-N 374.550 2.578 0 50 FFAA O=S1(=O)CCC(n2ccnc2-c2ccccc2Cn2cccn2)CC1 1857729218 AJXRBEOCRFYSBQ-UHFFFAOYSA-N 356.451 2.545 0 50 FFAA Cc1nc(C)c(C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)o1 1857729626 DZWBZGILBCFZTG-UHFFFAOYSA-N 350.422 2.933 0 50 FFAA Cc1ccc(CNC(=O)c2cnn3cccnc23)c(OCC(F)(F)F)c1 446333673 UNZODRDWXFGCQO-UHFFFAOYSA-N 364.327 2.909 0 50 FFAA Cc1ccsc1CN1CCC[C@@H](n2cc(C(=O)NCC(C)C)nn2)C1 12155668 QPSAYINMRVADFG-OAHLLOKOSA-N 361.515 2.871 0 50 FFAA COc1cc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)ccc1Cl 263068792 REWKKJJMVRWWPN-ZDUSSCGKSA-N 351.708 2.828 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC3(C=C(C)CCO3)CC2)c1 1704338591 VWQPYKRXKWCKDK-UHFFFAOYSA-N 367.467 2.594 0 50 FFAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1c[nH]c3cc(F)ccc13)C2 828859627 NOBDSQSXXUOVOU-XSYGEPLQSA-N 359.445 2.517 0 50 FFAA CCn1ncc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@H]2CCCOC2)n1 856260293 QWNSOKNTHXUCKV-NSHDSACASA-N 362.817 2.813 0 50 FFAA C[C@H](C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1)c1cnn(C)c1 874510987 KCPXYZVOHMGIPO-NBHGPNQESA-N 352.482 2.504 0 50 FFAA O=C(O)c1cc2ncc(-c3cc(F)ccc3OC[C@@H]3CCOC3)cn2n1 874970556 RYNCVWPDYXZDHI-LLVKDONJSA-N 357.341 2.649 0 50 FFAA CC1CCC(Oc2nccc(N3CCC(Cn4cnnc4)CC3)n2)CC1 1875275742 FIROEKGMDHNZQD-UHFFFAOYSA-N 356.474 2.942 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)CC1 1875371252 VDXDNYVWESIFGG-CRAIPNDOSA-N 356.466 2.824 0 50 FFAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC[C@]2(c3cccnc3)C[C@@H]2C1 1875329346 RLXVEKSVGKUFHC-NTWZHAPSSA-N 361.445 2.749 0 50 FFAA CC(C)C(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1ccc2n[nH]cc2c1 1875361305 RJYFEERQLRRYFM-INIZCTEOSA-N 354.454 2.577 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1Cl)C1CCN(CC(F)F)CC1 1875339992 HDJINBGTDXIVMI-AWEZNQCLSA-N 360.788 2.559 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc3cc(Cl)cc(OC)c3o1)C2 2100534761 XOBNTEKUOPYAMV-SGTLLEGYSA-N 365.813 2.830 0 50 FFAA COc1ccc(-c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)cc1OC 15110174 BFGWRRPEDMTYKJ-UHFFFAOYSA-N 352.394 2.603 0 50 FFAA O=C(NCC1CCN(Cc2ccccc2)CC1)c1cccc2c1C(=O)NC2 2325887311 FTMXZYDRWINJAS-UHFFFAOYSA-N 363.461 2.572 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)C1 2325888332 IPMJBQDGKXTKQT-RDJZCZTQSA-N 360.429 2.922 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(N)(=O)=O 1159078 ZNZANODJWQKRPK-UHFFFAOYSA-N 369.240 2.657 0 50 FFAA Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 2814067 SRWXYRQCHVVJQW-QGZVFWFLSA-N 352.434 2.852 0 50 FFAA COc1ccc(CC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 4851072 QKJJXKVSGQOUCD-UHFFFAOYSA-N 353.378 2.613 0 50 FFAA biogenic CC(C)c1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 101755304 GYSVFIKIJITNBD-ZVZYQTTQSA-N 364.511 2.881 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)n1 55061201 UQTGPTXLPDSYML-CYBMUJFWSA-N 356.455 2.754 0 50 FFAA C[C@@]1(C(=O)Nc2cccc(NC(N)=O)c2)CCCN1C(=O)c1ccccc1 116720468 OWPYHXOUPRLSPY-FQEVSTJZSA-N 366.421 2.811 0 50 FFAA CN1CCC(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 67613791 CNJQXWLVAJTCFT-UHFFFAOYSA-N 367.896 2.902 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)CCCCN)CC2)c1 67785550 HRJOPTSXTCTWEY-UHFFFAOYSA-N 356.470 2.920 0 50 FFAA O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCN1C(=O)OCC(F)(F)F 170809281 ZXILQPLSVDKFBP-GFCCVEGCSA-N 358.316 2.723 0 50 FFAA c1ccc(-c2ncc(CN3CCN(C4CCSCC4)CC3)cn2)nc1 215670522 LBGYGDFSZUPAOQ-UHFFFAOYSA-N 355.511 2.552 0 50 FFAA COc1ccc(OC)c(-c2nc(CN3CCC(NC(C)=O)CC3)c(C)o2)c1 71639565 HCNCUKAKXYMYOF-UHFFFAOYSA-N 373.453 2.768 0 50 FFAA O=C(c1ncoc1C1CC1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 219890357 ACNGXLZCHISKFU-QGZVFWFLSA-N 356.426 2.628 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]12CCN(CCc1cn[nH]c1)C2 72152274 JAUZWRPPRVQXBT-JOCHJYFZSA-N 366.509 2.900 0 50 FFAA Cn1cccc(C(=O)NC[C@H](O)c2cccc(Oc3ccccc3)c2)c1=O 215391000 ZKIIMIGWMZLVGE-IBGZPJMESA-N 364.401 2.641 0 50 FFAA C[C@H](NC(=O)N1CC[C@@H](C)[S@](=O)CC1)c1nc(C2CCCCC2)no1 253424775 KJXQIAUAUDSTGW-UXGGDIESSA-N 368.503 2.731 0 50 FFAA Cc1noc(C)c1CNCc1ccccc1S(=O)(=O)NC(C)(C)C 237622177 QPAANMFOBMPPBA-UHFFFAOYSA-N 351.472 2.658 0 50 FFAA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1C[C@@H]1C(=O)O 262454393 WYNQANYIVKKMPV-OLZOCXBDSA-N 352.228 2.660 0 50 FFAA O=C(NC1CCN(c2cccc(F)c2)CC1)c1nnc(O)c2ccccc12 363132455 BWTQTMBLAFOUAY-UHFFFAOYSA-N 366.396 2.873 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CCN(C)[C@@H](C)C4)nc3)n2)cc1 39387670 KUGUUUCTULWXIU-AWEZNQCLSA-N 365.437 2.948 0 50 FFAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Br 124300359 GQSIXRHLAXEFCS-MADCSZMMSA-N 361.186 2.501 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2nc(C)nc3c2CCCC3)C1 374756377 ZJOHXSVAEJEMIQ-AWEZNQCLSA-N 354.458 2.729 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cc(C)nn3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72409563 RSHVTVMSBXRNQE-HMXCVIKNSA-N 364.493 2.739 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N3CCC([C@@H]4CCCOC4)CC3)cc2=O)cc1 370147465 CXUPEOLYOJQTIZ-QGZVFWFLSA-N 369.465 2.753 0 50 FFAA Cc1c(NC(=O)c2ccco2)cccc1C(=O)N1CCn2cncc2C1 72148267 XUBMSQGVASLMIK-UHFFFAOYSA-N 350.378 2.693 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)Cc2ccccc2C)C[C@H]1c1ccc(C)cc1 77523825 OCULRWVUJVOVGF-LEWJYISDSA-N 350.462 2.977 0 50 FFAA Cc1cc2ncc(C(=O)N3CC(Cc4ccc(F)c(F)c4)C3)c(C)n2n1 333097537 DXLALXZFXFAMFO-UHFFFAOYSA-N 356.376 2.939 0 50 FFAA Cn1nccc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 377627759 SDDOIZGJWGMTDG-CQSZACIVSA-N 355.373 2.510 0 50 FFAA CC1(C)CN(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)C[C@H](C(F)(F)F)O1 333685867 BJDJXDJUSGFDKS-FDYHWXHSSA-N 350.381 2.695 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CC[C@](C)(C(=O)O)C3)o2)cc1 237443112 MLZJEMNUYQAREM-IBGZPJMESA-N 358.394 2.606 0 50 FFAA Cn1nnc2c(C(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)ccnc21 283253840 QMNITOKUXXBARE-ZFWWWQNUSA-N 355.442 2.507 0 50 FFAA Cn1c([C@H]2COCCO2)nnc1N1C[C@@H](c2ccccc2)C2(CCC2)C1 333949788 XOPOTDXYCBZMTM-DLBZAZTESA-N 354.454 2.677 0 50 FFAA CC[C@H](NS(=O)(=O)c1ccc(-c2c(C)noc2C)s1)C1CC(O)C1 222911445 ITNZHRYCQFBIMT-BPCQOVAHSA-N 370.496 2.848 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12 263368898 XFNMOHUPBMVESX-AVRDEDQJSA-N 365.429 2.956 0 50 FFAA COc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1OC 223538254 BPHVGDVUGNNUHO-IEBWSBKVSA-N 371.433 2.808 0 50 FFAA COc1cccc(-n2cc(-c3ccnc(N(C)Cc4cnccn4)n3)cn2)c1 48080974 IXVGWLPFGIACIA-UHFFFAOYSA-N 373.420 2.764 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 82157510 JSCKROZYSGNPPL-OAQYLSRUSA-N 366.465 2.763 0 50 FFAA COc1cc(F)c(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)cc1F 426397412 MYTJLTHLQWIPGT-AWEZNQCLSA-N 374.387 2.991 0 50 FFAA Cc1cc(N2CCCN(C(=O)C3(N4CCCC4)CCCC3)CC2)ccn1 82091857 PRTJZGVBFQTBKA-UHFFFAOYSA-N 356.514 2.837 0 50 FFAA COc1ccc(-c2ncc(CN3CCC[C@H]3c3nc(C)n[nH]3)cn2)cc1 97463538 UXTWTOMEAGJTHC-KRWDZBQOSA-N 350.426 2.916 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3nn(C)c4c3CCCC4)c2n1 97402591 NTEHJKHMPXUXNM-UHFFFAOYSA-N 364.449 2.964 0 50 FFAA Cc1nc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)n(C)n1 91425756 OGIBCHDQVUPIEB-UHFFFAOYSA-N 367.497 2.528 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)o1 91586468 VROGYSTZILPYNY-KRWDZBQOSA-N 365.437 2.951 0 50 FFAA CCn1ccnc1C1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1 91494072 PQTPIYMFLWTQIA-UHFFFAOYSA-N 367.446 2.619 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCN(c2nc3ccccc3s2)CC1 91951628 YVPKEWTWXBMVCC-UHFFFAOYSA-N 369.475 2.968 0 50 FFAA Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426726909 PVDJKXGWBYCPMM-FIKGOQFSSA-N 367.449 2.839 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1C[C@H](c2ccc(OC)cc2)[C@@H](N)C1 91626285 ZSDRHJWFEYUWHY-SJORKVTESA-N 356.470 2.602 0 50 FFAA O=C(Nc1ccc(Oc2ccccc2F)cc1)N1C[C@@H](CO)[C@H](CO)C1 97323933 FVZIDKCXSBEBEN-KBPBESRZSA-N 360.385 2.683 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)s1 95506069 CBIZMZRVLATTPS-LSDHHAIUSA-N 373.478 2.925 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)CCc2cccc(OC)c2)C1 95501411 HYBJMLKXSDZHDY-SFHVURJKSA-N 371.481 2.877 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)c(F)c1)CC2 91808949 SBSDQMNLOFNXEX-UHFFFAOYSA-N 374.435 2.974 0 50 FFAA CCCc1ccc(C(=O)N2CC[C@@]3(CCCN(CCOC)C3=O)C2)cc1 91943476 LBMUOFWMXVAKCY-NRFANRHFSA-N 358.482 2.740 0 50 FFAA Cc1ccnc([C@H](NC(=O)c2coc(CN3CCOCC3)c2)C2CC2)c1 97619574 HHPCWTKUUGCSCB-LJQANCHMSA-N 355.438 2.696 0 50 FFAA CC(C)c1nnc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)n1C 293451561 KMNUSIFCKCIIOA-UHFFFAOYSA-N 374.460 2.733 0 50 FFAA Cc1cc(C)c(CN2CCOC[C@@H]2C(=O)O)cc1CN1CCC(C)CC1 244794929 QWNYZTNCGKUWDY-HXUWFJFHSA-N 360.498 2.821 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244691591 JFMKXIRCOTXKGM-GQIGUUNPSA-N 372.490 2.571 0 50 FFAA COCCn1cc(C(=O)N2CCC[C@H]2CN2CCCC2)c2ccccc21 299258763 ASVIKXLRNZUQDP-KRWDZBQOSA-N 355.482 2.988 0 50 FFAA COc1ccccc1CC1CCN(C(=O)CC(=O)NCC(F)(F)F)CC1 181959897 JOPNYDAWAGCIRY-UHFFFAOYSA-N 372.387 2.545 0 50 FFAA C[C@]12C(=O)O[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC(=O)[C@@]5(C)[C@H]1[C@@H]32 253596359 QKTJEGVAGWMOHM-XFFGMITFSA-N 354.446 2.654 0 50 FFAA CN1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)C1 534584990 ALHWFERVYCBBKI-INIZCTEOSA-N 371.868 2.882 0 50 FFAA COc1nc(-c2cccc(C(=O)NCCCC[C@H]3CCCO3)c2)nn1C 299799644 TXGFAWPJQJXYPL-INIZCTEOSA-N 358.442 2.570 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cnc2cnn(C)c2c1 1940196487 OHZNLAPRNCJWDH-GFCCVEGCSA-N 352.394 2.573 0 50 FFAA Cc1ccc(-n2ncc(-c3ccccc3)c2NC(=O)[C@H]2CNC(=O)C2)cc1 1940198197 UCJALMFSQRVFHT-MRXNPFEDSA-N 360.417 2.922 0 50 FFAA O=C(Nc1ccccc1OC(F)(F)F)N1CCC(N2CCOCC2)CC1 299762242 MYUCBMIBFNNIGT-UHFFFAOYSA-N 373.375 2.914 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(S(=O)(=O)c3cc(C)sc3C)[C@H]2C1 299776704 KODPKHLEODFGCT-CWRNSKLLSA-N 359.513 2.712 0 50 FFAA Cc1ccc(-c2cc(CN3CC[C@@H]4OCc5cnnn5[C@H]4C3)on2)cc1 299786659 NQRWTSCYXQVFNH-OALUTQOASA-N 351.410 2.587 0 50 FFAA CCc1ccc(CN2CCn3nc(CNC(=O)C4CCCC4)cc3C2)nc1 299767901 XWXGULQOKRUGHY-UHFFFAOYSA-N 367.497 2.663 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(Cc1cc3ccccc3nc1O)CCO2 822529672 OVIBBHWBFWLREG-UHFFFAOYSA-N 369.465 2.544 0 50 FFAA O=S(=O)(NCCCc1nc2ccc(Cl)cc2[nH]1)N1CCCCCC1 670459802 DPFRZNLLICDYNE-UHFFFAOYSA-N 370.906 2.859 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 168187196 PDQQQTPWRPKBAS-FDYHWXHSSA-N 354.200 2.574 0 50 FFAA CC(C)c1cc(C(=O)NCc2nn(C)c3cccc(Cl)c23)nc(N)n1 952872309 NZYWHUHIWDLGNU-UHFFFAOYSA-N 358.833 2.652 0 50 FFAA Nc1nc2c(c(C(=O)NCCCc3nc4ccccc4s3)n1)CCCC2 952984900 CEYQCCNLHQKAJU-UHFFFAOYSA-N 367.478 2.910 0 50 FFAA COCCN1CCC(CN(C)C(=O)c2ccc(N3CCCC3)cc2)CC1 952977728 BUFKIKSHLTWFQL-UHFFFAOYSA-N 359.514 2.717 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@H]2Nc2ncnc4ccccc24)C3)cc1 952969245 SSGXHAQBRJPMCL-VSZUSUSQSA-N 371.488 2.609 0 50 FFAA CSc1ccc2cc(CN(C)C[C@H](C)N3CCOCC3)c(O)nc2c1 952991911 XJAKRNIBMPLEES-AWEZNQCLSA-N 361.511 2.815 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cnc(O)c(Cl)c2)C[C@@H]1C(=O)O 1565529282 DEBKGMIIORVEOA-KGLIPLIRSA-N 360.797 2.689 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 268989652 RYTLKJHCMGTIKU-KMOQFTEPSA-N 363.719 2.684 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)[C@@H]1C[C@H]1C1CCC1 408503539 VZCSBNXLRGSXLA-VHSXEESVSA-N 364.286 2.752 0 50 FFAA CCN(CC)CCOc1ccc(CN2C(=O)[C@H]3CCCCN3C2=O)cc1 170592470 IJGMPILKJFJYKA-GOSISDBHSA-N 359.470 2.724 0 50 FFAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 193056912 IBVOPEVPIVTUME-IAGOWNOFSA-N 364.873 2.597 0 50 FFAA CN[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 194737381 RFBTUTWZYHPFLJ-JTQLQIEISA-N 356.797 2.731 0 50 FFAA COc1cc2c(cc1CNC1CCN(C(=O)c3ccncc3)CC1)CCC2 1506419487 QMOGTWQMJMBXKU-UHFFFAOYSA-N 365.477 2.973 0 50 FFAA CNc1nc(C(N)=O)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 1529186847 LDBNKCYBVFVUOT-MRVPVSSYSA-N 368.846 2.652 0 50 FFAA CO[C@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1Cc1cc(C)no1 1704355310 QGOJFVQWAGPAFP-APWZRJJASA-N 355.438 2.587 0 50 FFAA COc1cc(-c2onc(NCC3(CO)CCC3)c2C(=O)O)ccc1F 1704309991 VHCZRBRNWJZASD-UHFFFAOYSA-N 350.346 2.762 0 50 FFAA CC(C)C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11971621 IRYQNVDFLFWBSH-KRWDZBQOSA-N 373.474 2.833 0 50 FFAA CSc1ncccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 12479954 VIKPGPVDZCLBJY-LJQANCHMSA-N 359.495 2.668 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12713342 IIVFNULQKYCCCY-CYBMUJFWSA-N 352.818 2.507 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNc2ccc3ccccc3n2)CC1 12715459 GBFFCMXSOURHPG-UHFFFAOYSA-N 361.449 2.910 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1C 13331570 PJVZEIKKMCXONY-UHFFFAOYSA-N 352.500 2.573 0 50 FFAA OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NCc2cccc(F)c2)CC1 14972583 HNDXGMOSBGPKJI-IBGZPJMESA-N 370.472 2.992 0 50 FFAA Cc1c(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cnn1C 19732954 PGPQZIUPIYKXPO-OAQYLSRUSA-N 371.504 2.654 0 50 FFAA O=S(=O)(c1cccc(Cl)c1)N1CCc2[nH]nc(C3CC3)c2CC1 1857667917 SBMRAFSNPYXARJ-UHFFFAOYSA-N 351.859 2.730 0 50 FFAA CCCCCc1nc(-c2ccn3nccc3c2)n([C@@H]2CCS(=O)(=O)C2)n1 1857676264 NAMJYKNXMLEBHD-MRXNPFEDSA-N 373.482 2.685 0 50 FFAA CC(C)c1cc(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)no1 1857709567 GCZMVZPZOWQCES-HXUWFJFHSA-N 369.421 2.688 0 50 FFAA C[C@@H]1CN2C[C@@H](NC(=O)c3cccc4c5c([nH]c34)CCCC5)C[C@H]2CO1 1857734060 CBAHVISOSFUGEU-ILXRZTDVSA-N 353.466 2.638 0 50 FFAA Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CCNCC2 328651866 WCLSPODVZWJWSN-IPMKNSEASA-N 364.493 2.695 0 50 FFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CC[C@@H](c2ccco2)C1 732131477 WGKDQQWFANDLEP-GFCCVEGCSA-N 360.797 2.675 0 50 FFAA Cc1cnc2c(c1)N(C(=O)c1nn(-c3cccc(Cl)c3)nc1C)CCO2 127314850 AOWJAZUUKQPVOQ-UHFFFAOYSA-N 369.812 2.972 0 50 FFAA C[C@H](NCc1cnn(C)c1)c1cc2c(cc1Br)OCCO2 237520978 WSSKXOUDOHATOG-JTQLQIEISA-N 352.232 2.805 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CCOCC1 238069918 NOZDHAGARZLPEM-CABCVRRESA-N 351.830 2.926 0 50 FFAA COc1cc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)ccc1C 156088545 VGOLHCCUQIFQOW-HNNXBMFYSA-N 368.441 2.557 0 50 FFAA CCN(C)C(=O)[C@@H](C)NC(=O)C(F)(F)c1ccc(Br)cc1 834309987 FVSHJMYCOVOINA-SECBINFHSA-N 363.202 2.524 0 50 FFAA Cc1ncc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)c(C)n1 952848116 BHFZHNBMUKTUDE-CVEARBPZSA-N 354.458 2.601 0 50 FFAA CC(C)(C)[C@@H]1CC(C(=O)N2CCc3cc(O)ccc3[C@H]2C2CC(=O)C2)=NO1 1875320896 YXZVWBCUVVWDDU-RBUKOAKNSA-N 370.449 2.988 0 50 FFAA O=C([C@@H]1CC[C@@H](C2CC2)N1)N1CCC2(CCc3ccccc3C2=O)CC1 888094028 XHFSGXJZGYWTIQ-OALUTQOASA-N 352.478 2.955 0 50 FFAA OCCn1cc(CNC2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 2325773899 UPRPTFJKXPZWQM-UHFFFAOYSA-N 368.403 2.653 0 50 FFAA CN1CCc2[nH]nc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2C1 2325811215 CVQUHXVGJJZKIS-UHFFFAOYSA-N 374.872 2.735 0 50 FFAA O=C(NCC[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1cc(Cl)c[nH]1 923146013 FCGRFZZTDKQLPN-SNVBAGLBSA-N 369.252 2.932 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(Cl)c1 1110667 DZKIXFRSNPMLHV-UHFFFAOYSA-N 362.854 2.694 0 50 FFAA Cn1c(=O)c2c(nc(SCc3ccc(C(C)(C)C)cc3)n2C)n(C)c1=O 1178704 FYEJVTQXEJVZNR-UHFFFAOYSA-N 372.494 2.561 0 50 FFAA CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2cccc(Cl)c2)C1=O 1216351 CVIJAXUUHVXWDD-LJQANCHMSA-N 370.792 2.907 0 50 FFAA O=C1COC2(CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)CN1 2356149994 HIJJNDNIIPQPKP-UHFFFAOYSA-N 368.408 2.614 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccnc3ccccc23)C1=O 2356150149 OABWDKFWTPDMNH-OAQYLSRUSA-N 353.466 2.838 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2ccccc2-n2cccn2)CC[C@H]1O 2356153452 HXSSHPJDHQGOPE-TZIWHRDSSA-N 371.481 2.946 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 2870098 ZCSAYKDKWAXPCW-UHFFFAOYSA-N 366.295 2.689 0 50 FFAA COc1ccc(-c2noc(CNC(=O)Cc3ccccc3OC)n2)cc1 4850669 DLYJFLSFQWALEA-UHFFFAOYSA-N 353.378 2.613 0 50 FFAA biogenic CCOc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@H]2CCO)cc1 104384814 VJSOGXGRXMKSLU-HXUWFJFHSA-N 370.493 2.860 0 50 FFAA C[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1nc(Cc2ccccc2)no1 246306217 CQJJNKFCWBBENB-QMCVQRASSA-N 370.453 2.978 0 50 FFAA CC(C)c1ccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c(=O)n1C 67690491 DLHQAYYHNISZHF-UHFFFAOYSA-N 354.454 2.752 0 50 FFAA COC(=O)N1CCC[C@]2(CCN(Cc3cccc(-n4cccn4)c3)C2)C1 67691139 JYMAIIYBVDIXDH-HXUWFJFHSA-N 354.454 2.927 0 50 FFAA CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1ccc(C)c(C)c1 20917607 FFYDZKNJFMTPLY-SFHVURJKSA-N 357.454 2.848 0 50 FFAA O=C1NC[C@H](c2ccccc2)Cc2[nH]c(-c3nc(-c4cccnc4)no3)nc21 65372182 GRXXBMZVTAPDRF-CQSZACIVSA-N 372.388 2.591 0 50 FFAA CCN1CCC[C@@H]1CNC1CCN(c2cccc(N3CCCC3=O)c2)CC1 63848142 SDSFSQVXIAUTMG-OAQYLSRUSA-N 370.541 2.856 0 50 FFAA Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](OCc2cccnc2)C1 67773842 QRNCRGCFPVCSMZ-KRWDZBQOSA-N 353.422 2.536 0 50 FFAA Cc1csc(S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)CC2)c1 63884668 LNROBYANAOBDOZ-UHFFFAOYSA-N 352.485 2.551 0 50 FFAA CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC 2021799 GUJRSXAPGDDABA-NSHDSACASA-N 371.275 2.680 0 50 FFAA biogenic,world Cc1cc(C)c(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1 11813445 BPPZHLLQBYXNEQ-IBGZPJMESA-N 367.493 2.819 0 50 FFAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cn[nH]c3C(=O)O)C2)cc1C 71681321 WMOFFBKLAROOFI-AWEZNQCLSA-N 371.437 2.828 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3coc(C(C)C)n3)CC2)cc1 216169054 WOAFXQSLFWRSQJ-UHFFFAOYSA-N 363.483 2.613 0 50 FFAA CCc1nccn1CCC(=O)N1CCC(C(C)=O)(c2ccccc2)CC1 72463331 QIUZPSMHINYWNW-UHFFFAOYSA-N 353.466 2.985 0 50 FFAA O=S(=O)(N[C@H]1CCCN(c2nc3ccccc3s2)C1)c1cccnc1 72148998 GPFMYHQGFFUHSI-ZDUSSCGKSA-N 374.491 2.639 0 50 FFAA O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1nccn1-c1ccccc1 253426441 VARAHHSORDKREG-QFIPXVFZSA-N 372.428 2.852 0 50 FFAA O=C(NC[C@@H](O)c1cc2ccccc2s1)N[C@H]1CCc2[nH]ncc2C1 154477603 HNIZNZOKHSURLD-DZGCQCFKSA-N 356.451 2.515 0 50 FFAA O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(c2ncnc3[nH]cnc23)C1 71776907 ZOQZNTOVFJLKAW-GOSISDBHSA-N 371.828 2.920 0 50 FFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)COC[C@H]1CCCCO1 215083179 UMIZRPUFEBRKKW-CQSZACIVSA-N 366.408 2.999 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)CCn3nc(C)cc3C)n2)cc1 218959332 XUJDAGIAUYYIJP-CQSZACIVSA-N 369.425 2.826 0 50 FFAA Cc1nn(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2ccccc2)c(C)c1C 219897216 GKMNEDFAWPTHAX-MOPGFXCFSA-N 357.454 2.551 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)cn1 333363202 HTMAKEXMJRWJPA-SFHVURJKSA-N 372.469 2.877 0 50 FFAA CC[C@H]1CN(C(=O)c2ccnc(OC)c2)CCC(=O)N1Cc1ccccc1 71730584 MEQHVPVCZFVCQZ-SFHVURJKSA-N 367.449 2.744 0 50 FFAA COc1cc(CCC(=O)N2CCC[C@@H]2CN)ccc1OCC(F)(F)F 237315572 SHLLVGJBZNKOCD-CYBMUJFWSA-N 360.376 2.519 0 50 FFAA CC[C@@](NC(=O)c1cccc(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1 262834668 YJGHWYOMUKLKGT-FQEVSTJZSA-N 354.406 2.508 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](C)Cn2nc(C)nc2C)CC1 72409763 RQTHHHNDNDPAQK-HNNXBMFYSA-N 368.481 2.680 0 50 FFAA CCCc1nc(C)cc(N2CCC(c3nnc(CN(C)C)n3CC)CC2)n1 77522267 PPAOQUBPKVUWPM-UHFFFAOYSA-N 371.533 2.795 0 50 FFAA CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccc2[nH]ccc2c1 241126035 JJBKAXUPCCSNHV-UHFFFAOYSA-N 365.389 2.680 0 50 FFAA COc1ccc(OCC2CCN(c3cc(C4CC(N)C4)ncn3)CC2)cc1 223185518 YDQPOTKVENCVPB-UHFFFAOYSA-N 368.481 2.985 0 50 FFAA Cc1cc(O)c(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cn1 283009905 XXJSHVMIDKNXAG-UHFFFAOYSA-N 355.413 2.902 0 50 FFAA CSCc1ccc(C(=O)N2CCN(Cc3ccccc3F)C(=O)C2)o1 82115464 KNHJCLLIHDYZFV-UHFFFAOYSA-N 362.426 2.766 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CC(=O)Nc2ccccc21 222252363 JQIBDCZYMAAGKE-KRWDZBQOSA-N 361.401 2.510 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 225714284 MHACSZDDSGFEPR-WYUUTHIRSA-N 359.712 2.534 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccc([C@H]3CCCCO3)s1)C2 82106680 RRIYYPCGLSWCKM-GOSISDBHSA-N 374.510 2.838 0 50 FFAA O=C(NCCCN1CCOCC1)c1ccc(-c2ccc3nc[nH]c3c2)cc1 426716843 IMVDTOWXVPTLNM-UHFFFAOYSA-N 364.449 2.682 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 91519128 FZZNCFDESGPOSW-LLVKDONJSA-N 351.344 2.526 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 178266881 ICEWSQYTOONLKD-YVARQFDVSA-N 356.353 2.959 0 50 FFAA Cc1cc(NC(=O)COCC2CC2)c(C(=O)NCC(F)(F)F)cc1F 291414856 JOAVJKQMSWUHSN-UHFFFAOYSA-N 362.323 2.791 0 50 FFAA CN(CCCc1nccn1C)C(=O)Nc1c(-c2ccccc2)cnn1C 96139513 BRSDUTWSNXGIBN-UHFFFAOYSA-N 352.442 2.917 0 50 FFAA O=C(c1sc2cccc(F)c2c1Cl)N1C[C@H](O)[C@@H](N2CCCC2)C1 91416537 UQFFLPVCHLUMJE-RYUDHWBXSA-N 368.861 2.975 0 50 FFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC2)c1 95503307 JMDKZMMDQAOBPO-UHFFFAOYSA-N 372.465 2.711 0 50 FFAA Cc1nnc(N(C)C(=O)[C@@H]2COc3ccc(Br)cc32)s1 291793785 AFYGLAUKYFGLHW-SNVBAGLBSA-N 354.229 2.748 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1CCc2[nH]c(-c3ccccc3)nc2C1 95512265 SVFANEHMAVKJIW-UHFFFAOYSA-N 371.334 2.878 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)cs1 96150428 AZAYLSDVSFDJBL-QGZVFWFLSA-N 371.506 2.737 0 50 FFAA COc1ccc(C(=O)N[C@@H](CO)c2ccccc2)cc1-n1nc(C)cc1C 230214613 SSRRHSVUDILMJG-SFHVURJKSA-N 365.433 2.961 0 50 FFAA Cc1nn(C)c2nc(N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)sc12 96150242 KGPCDDJXOFEFLF-GOSISDBHSA-N 354.435 2.953 0 50 FFAA CCOc1c(Br)cc(C(=O)N(CC(=O)O)C2CC2)cc1OC 299744013 NHMYYRVTKZVSQJ-UHFFFAOYSA-N 372.215 2.546 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC(CCn4cccn4)CC3)c2n1 299786757 NHNAZNFWPWNTIP-UHFFFAOYSA-N 366.469 2.794 0 50 FFAA CCc1nnc(CN(C)C(=O)c2cccc(-c3cccc(OC)n3)c2)o1 299799270 QIVPGVXIRBPVFT-UHFFFAOYSA-N 352.394 2.975 0 50 FFAA CC(=O)N1CCCC[C@@H]1C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 299766073 BOYCABFUTPHEPD-MRXNPFEDSA-N 362.861 2.666 0 50 FFAA O=C(CSc1ccccc1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 299773938 GXZBJPOTVYNYKC-DLBZAZTESA-N 371.458 2.884 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1ccc(-c2ncon2)cc1 299800723 VDOPVHGDCCSOOM-UHFFFAOYSA-N 351.410 2.588 0 50 FFAA Cc1cc(C2CCC2)nc(N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1 299761001 SUISRJLXPGYHJQ-SJLPKXTDSA-N 373.526 2.865 0 50 FFAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)C(C)(C)C)c(C)o2)c1 299765560 IESKUGDGMVKJRG-UHFFFAOYSA-N 359.426 2.897 0 50 FFAA Cc1cc2nc(C(=O)N3Cc4cnc(C(C)(C)C)nc4C3)cc(C)n2n1 299797525 OIGZJCVMVCFINC-UHFFFAOYSA-N 350.426 2.590 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2c(C)nc3ncccn23)C1 670462630 ZHGITEXOTWMYAY-KRWDZBQOSA-N 363.465 2.565 0 50 FFAA CCN(Cc1nc(-c2ccc(C)cc2)no1)Cc1c(CO)cnc(C)c1O 952869275 GTJRKTYVYNBQAO-UHFFFAOYSA-N 368.437 2.968 0 50 FFAA Nc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)ccn1 1565510488 SMFFLIUAISYXON-QAPCUYQASA-N 354.429 2.540 0 50 FFAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 1565507831 QSPCRPAKQIIVAG-PMACEKPBSA-N 370.449 2.884 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3nc(-c4ccccc4)no3)[C@@H](O)C2)cs1 1565508839 VQYVSVJZRXVZJG-HOTGVXAUSA-N 371.466 2.549 0 50 FFAA NCC1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 269189585 PKCGERIMUWCWGJ-UHFFFAOYSA-N 370.350 2.841 0 50 FFAA Cn1nnc2cc(C(=O)N(CC3CCCCC3)c3ccccn3)cnc21 185131098 JZAYQUDZVKTFDV-UHFFFAOYSA-N 350.426 2.985 0 50 FFAA COc1cc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)cc1F 186077724 MDJPKTMGSMXSLG-INIZCTEOSA-N 357.385 2.781 0 50 FFAA Cc1ccc(CN2CC[C@@H](Nc3ccc4nnc(C(F)F)n4n3)C2=O)cc1 276829264 OLPWKKBRIGNFRX-CYBMUJFWSA-N 372.379 2.583 0 50 FFAA COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(C)nc2Cl)cc1 170597244 ZSDPVLAEBNDCCS-UHFFFAOYSA-N 355.799 2.527 0 50 FFAA C[C@@H](SCc1nc(C(F)(F)F)cc(=O)[nH]1)C(=O)NC1CCCCC1 170620295 SVIGJABVFBNOMO-SECBINFHSA-N 363.405 2.859 0 50 FFAA C[C@]1(c2ccco2)NC(=O)N(Cc2ccn(-c3ccc(F)cc3F)n2)C1=O 192137665 SXGZXFWHOVVABU-GOSISDBHSA-N 372.331 2.711 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2Nc2nnc(Cc3ccc(F)cc3)s2)cn1 192921879 HZWWFDAOBBOMEQ-GOEBONIOSA-N 359.430 2.944 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2cc(-c3ccncc3)no2)CC1 1506429739 UMHMOPFNHKQHTF-UHFFFAOYSA-N 352.394 2.678 0 50 FFAA COc1cccc2c1OCCCN(c1cncc(C(=O)N3CCCC3)n1)C2 1529172041 DSGMJXRXHAAZGW-UHFFFAOYSA-N 368.437 2.510 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3cccc4[nH]c(C)nc34)CC[C@@H]21 215559695 PKDSJTPHQCKYJL-PBHICJAKSA-N 354.454 2.734 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)Cc3cc(=O)c4cc(Cl)ccc4[nH]3)C[C@@H]2CC1=O 1704297131 CVKCSMTZACEAGC-DVOMOZLQSA-N 373.884 2.870 0 50 FFAA Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 11844544 HKIOAWITZIOJNP-CQSZACIVSA-N 363.870 2.678 0 50 FFAA COC[C@@H]1CCCCN1C(=O)c1cc(COc2cccc(C(C)=O)c2)[nH]n1 12437425 AFUKMKILRCLIDN-KRWDZBQOSA-N 371.437 2.832 0 50 FFAA COc1ccc(CCc2nnc(CCC(=O)NCCCSC)o2)cc1 14981266 YQFKIZROBXBFMG-UHFFFAOYSA-N 363.483 2.665 0 50 FFAA O=C(C1CCOCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 15062026 YWBMXBCERREDLK-NRFANRHFSA-N 362.514 2.834 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)Cn2ccc(-c3ccco3)n2)o1 19791301 GAGUUYZNQFCYRE-UHFFFAOYSA-N 351.366 2.928 0 50 FFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(Cl)c4)C3)nn2)n1 169778119 CQAREPKEHVYKBJ-ZDUSSCGKSA-N 372.816 2.631 0 50 FFAA Cc1ccc(CCC(=O)N[C@H]2C[C@H](Cn3ccnc3)C[C@@H]2O)cc1Cl 1857531258 XGNBFEUDRAWYLP-SZMVWBNQSA-N 361.873 2.733 0 50 FFAA CN(C)C(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(Cl)cs1)C2 1857531729 VICNEUCAXVDMDS-XRNSZHNASA-N 365.842 2.719 0 50 FFAA CN1CCn2nc(C(=O)N3CCCCC[C@H]3c3cccc(F)c3)cc2C1=O 1857670060 NUEUTSLVJYXHMP-KRWDZBQOSA-N 370.428 2.865 0 50 FFAA Cc1cnnc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1C 1857670801 ZTCJCGOLNVOGQK-UHFFFAOYSA-N 350.466 2.895 0 50 FFAA CCOC(=O)c1coc(N2CCc3nn(C)c(-c4ccccc4)c3CC2)n1 1857673625 PVVBEYDNNDMULY-UHFFFAOYSA-N 366.421 2.857 0 50 FFAA COc1cc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)ccn1 1857676561 QNLMNZSZKXZHDG-UEXGIBASSA-N 352.434 2.689 0 50 FFAA C[C@@]1(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC12CCNCC2 1857687509 VBEKBMCJHMCWGE-FQEVSTJZSA-N 370.497 2.579 0 50 FFAA Cc1ccccc1-c1ncc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cn1 1857693817 NYDXTYMCDBRJCF-GOSISDBHSA-N 367.449 2.765 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)O1 1857699973 GWFWOZDDBBFERS-CVEARBPZSA-N 371.481 2.807 0 50 FFAA CNC[C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 237213459 VXSSRGVYPUKISC-VIFPVBQESA-N 356.797 2.589 0 50 FFAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccc(F)cc1F 372143691 RZFPDXFKPZGCAY-SFHVURJKSA-N 358.388 2.597 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@@H]1C[C@H]1c1ccc3c(c1)OCCO3)C2 266287127 BETGMSQATJGBSY-XLAORIBOSA-N 356.466 2.693 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 869311040 BMMOXOYEJDLIOJ-SFHVURJKSA-N 371.481 2.527 0 50 FFAA O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)NC12CC(C(=O)O)(C1)C2 1875277013 WGFXOFSEJMXNLT-YCMKEVRSSA-N 358.442 2.682 0 50 FFAA O=C(NCCc1nnc(-c2ccccc2)o1)c1ccnc(C(F)(F)F)n1 1875316348 KUYKCEWRTVYIHN-UHFFFAOYSA-N 363.299 2.518 0 50 FFAA O=C(NCc1ccncc1O[C@H]1CCNC1)c1cccc(-c2ccncc2)c1 1875349835 OVRIPYILUUSPGV-FQEVSTJZSA-N 374.444 2.814 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccnc(OC4CCC4)c3)nn(C)c21 1875402430 GLJBTIJNPLVYDJ-OLZOCXBDSA-N 370.453 2.699 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 888076813 HXNXMYWNVLHZRQ-IBGZPJMESA-N 354.410 2.603 0 50 FFAA Cn1ncc2c1CCCN(C(=O)NC[C@@H]1C[C@H]1c1c(F)cccc1F)C2 888102581 FIDGDEHPROIGKQ-GXTWGEPZSA-N 360.408 2.960 0 50 FFAA COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)c1 2440438 IMCGMDJFYXNBOW-CQSZACIVSA-N 366.377 2.517 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(O)cc2)NC(=O)N1 4491350 UTNQSEXTGNYWIG-SFHVURJKSA-N 368.389 2.642 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCN(C4CC4)C[C@H]3C)n2)c1 2100483631 CNRPVOWLWPELMU-OAHLLOKOSA-N 354.454 2.673 0 50 FFAA O=C(Nc1ccc2cnccc2c1)c1nnn([C@H]2CCNC2)c1C(F)F 2325780033 BLPMZCVDWZJAIA-ZDUSSCGKSA-N 358.352 2.551 0 50 FFAA C[C@H](Cc1cncc2ccccc12)C(=O)N[C@H](C(=O)O)C1(O)CCCCC1 2325803164 UPDSWHGQSBHEJO-RDTXWAMCSA-N 370.449 2.678 0 50 FFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc(Br)ccc1OC 758724 OMOCRJQFEWZFOD-LLVKDONJSA-N 354.200 2.508 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O 877150 GSDGAOMUXFHAQL-UHFFFAOYSA-N 358.891 2.817 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(-n3cccn3)ccc2Cl)C1=O 2356167319 XCDBIXUYSIWXDY-LJQANCHMSA-N 372.856 2.753 0 50 FFAA CC(C)Oc1ccc([C@H]2CC(=O)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 4907062 USSUOTMWDBLJDL-OAHLLOKOSA-N 369.373 2.925 0 50 FFAA COc1ccccc1CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NC1Cc2ccccc2C1 102757597 FEOUZBJZLSBNJE-XVAYZXCPSA-N 362.473 2.657 0 50 FFAA COc1cc(NC(=O)N[C@H](CN)C2CCCCC2)cc(-n2cccn2)c1 415639142 CJQIOWJLSOSBRW-GOSISDBHSA-N 357.458 2.910 0 50 FFAA Cc1ncsc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 115157100 CUVAJSKCMRNYEU-KRWDZBQOSA-N 359.495 2.627 0 50 FFAA CC[C@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cc(C)ccn1 67843210 KEWOXEBSLUIDST-INIZCTEOSA-N 351.406 2.925 0 50 FFAA CCC1(CC)CN([C@@H]2CCc3c(c(C(=O)O)nn3CC(C)C)C2)CCO1 67489905 ZVXNFCZGSYTWCZ-OAHLLOKOSA-N 363.502 2.986 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2cccc(-n3cccn3)c2)CC1 65427334 YYBFNEKIFMFWEJ-UHFFFAOYSA-N 361.449 2.928 0 50 FFAA CC(=O)Nc1ccc2nc(-c3nccn3[C@H]3CCCCNC3=O)ccc2c1 67821222 BFIDJQKMQLTLDO-SFHVURJKSA-N 363.421 2.898 0 50 FFAA CN(C)c1ncccc1O[C@@H]1CCN(c2nnc(C(F)(F)F)s2)C1 328679431 BPIXOYDAKBBRKQ-SECBINFHSA-N 359.377 2.676 0 50 FFAA Cc1ccccc1-c1noc(CNCCc2nc(-c3cccnc3)n[nH]2)n1 65452257 SQXROBXWFWVDTN-UHFFFAOYSA-N 361.409 2.557 0 50 FFAA Cc1ccncc1C(=O)NCc1cccnc1N(C)CCc1ccccn1 67714871 FTIZDEYAHRNRQL-UHFFFAOYSA-N 361.449 2.789 0 50 FFAA CCc1cc(C(=O)N[C@H](C)c2cnc(-c3ccncc3)nc2C)n(C)n1 12074607 YJUHGOPRWVSMLH-CYBMUJFWSA-N 350.426 2.634 0 50 FFAA CCOC(=O)CCNC(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72151715 UNAJDSUSKPRWEI-OAHLLOKOSA-N 362.405 2.892 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CN[C@@H]2CCc3ccccc3C2)CC(=O)N1C 328624468 JYGWJPKXFRYJLQ-NNMXDRDESA-N 366.509 2.703 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1nnc2n1CCC2 71759768 DBTNWYQJLXTHGV-ZDUSSCGKSA-N 351.410 2.544 0 50 FFAA C1Cc2nc(CCNc3nc(C4CC4)nc4c3CCNCC4)sc2C1 72481082 FBVFVVYUOSKQAT-UHFFFAOYSA-N 355.511 2.642 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O 329817812 FKTCHBKVAYCWCU-VXNCWWDNSA-N 351.487 2.959 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NC[C@]2(O)CCCNCC2)cc1 72164524 SOEQETQMYVFWLF-NRFANRHFSA-N 354.450 2.597 0 50 FFAA CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 330907301 NWFBBDGPKHSXDV-HZPDHXFCSA-N 371.474 2.797 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CC=CCC1 71760847 CZVXRKGHEGNDAJ-HXUWFJFHSA-N 368.525 2.547 0 50 FFAA Cc1ccc(CN(C)CC(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)cc1 218855361 KUKUULFDTAWJDI-GOSISDBHSA-N 365.477 2.693 0 50 FFAA CCC1(NC(=O)[C@H]2CCCN(C3CCN(Cc4cccnc4)CC3)C2)CC1 71753349 LZXLCIONNXGYMI-IBGZPJMESA-N 370.541 2.817 0 50 FFAA Cc1ccc(C(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)n2)cc1 72442443 MLSKHYXRWUHZTO-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cnn2c1OCCC2 333198326 URUQSBBZSPMPHW-GFCCVEGCSA-N 361.423 2.794 0 50 FFAA Cn1ncc(C(=O)NCC(=O)Nc2ccc(F)cc2)c1Cc1ccccc1 445194291 UJXPHAIZUJCMAP-UHFFFAOYSA-N 366.396 2.519 0 50 FFAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NCCn1cccn1 13594617 RNRNFMNYICAGDP-UHFFFAOYSA-N 367.453 2.581 0 50 FFAA Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 173024499 WFHGCUZXQDBDDF-VFNWGFHPSA-N 368.481 2.848 0 50 FFAA COc1coc(C(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)cc1=O 281630976 OHCYUGRWEMANIW-UHFFFAOYSA-N 371.389 2.619 0 50 FFAA Cc1ccc(N2CCC(NC(=O)[C@@H]3COc4ccccc4C3)CC2)nc1 172871465 KBVLXZKFAYTHLR-KRWDZBQOSA-N 351.450 2.726 0 50 FFAA COC[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)c1ccnn1C 82121166 UDKBTNDIYAYWEX-CQSZACIVSA-N 356.451 2.585 0 50 FFAA Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 174804614 HCSXNEYFYSAGRV-GFCCVEGCSA-N 367.327 2.543 0 50 FFAA COc1ccc(N2C[C@@H](C)N(C(=O)CCc3cccs3)CC2=O)cc1 82098362 RDUAURLUCFBSLF-CQSZACIVSA-N 358.463 2.953 0 50 FFAA CNCc1nnc(SCc2nc(-c3ccccc3Cl)no2)n1C 426545455 ZIKWEJLTNYCTGH-UHFFFAOYSA-N 350.835 2.530 0 50 FFAA CC(C)Oc1ccc([C@H](CNC(=O)N(C)CCn2cccn2)N(C)C)cc1 287839435 BITFUYREMWFEAC-IBGZPJMESA-N 373.501 2.615 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NC1CCN(Cc2cccnc2)CC1 220191020 OMNGAZHXXBHXMU-INIZCTEOSA-N 355.486 2.743 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 91677357 WRMDKTOYKIWHAI-UHFFFAOYSA-N 356.397 2.825 0 50 FFAA CCCC[C@H](CC(=O)O)NC(=O)N1CCN(Cc2cccc(F)c2)CC1 426583956 GZAWSJNWDLDUKK-QGZVFWFLSA-N 365.449 2.686 0 50 FFAA Cc1ccc(N2C[C@H](C)N(CCC(=O)NC3CCCCC3)CC2=O)cc1 91769227 RMSPRWVHSMPWKJ-KRWDZBQOSA-N 357.498 2.871 0 50 FFAA CCNc1ncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)cn1 92077012 JDZZQTNXFHMKHV-RBUKOAKNSA-N 365.481 2.531 0 50 FFAA CC(=O)N1CC2(CCN(C/C(C)=C/c3ccccc3)CC2)C[C@@H]1C(=O)O 91914921 KAIWBUYJSDTJPY-APEZIOSESA-N 356.466 2.878 0 50 FFAA COC1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)CC1 97600985 VWSMHWDBVVHQTN-UHFFFAOYSA-N 356.422 2.823 0 50 FFAA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c1C(N)=O 239121116 JIBYHEMELBEHAL-XRRVDJEJSA-N 362.451 2.569 0 50 FFAA CCC[C@H]1CN(Cc2csc(C)n2)C[C@@H]1NC(=O)C1CCOCC1 91985585 WVYUJUJZJINVPI-RDJZCZTQSA-N 351.516 2.595 0 50 FFAA Cc1c(CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 91487119 UQZPJSUCHVWYGY-QFIPXVFZSA-N 371.525 2.772 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCO[C@H](Cn4cccn4)C3)[nH]n2)s1 91644285 NEINJFXOXDCWJK-AWEZNQCLSA-N 371.466 2.574 0 50 FFAA COc1ccc(-n2ncc([C@H](C)NC(=O)c3ccc(CO)o3)c2C)cc1 91320148 KIFKJRYLZPUKCI-LBPRGKRZSA-N 355.394 2.766 0 50 FFAA CC(C)n1cnnc1CCn1cc(-c2cc3c(cc2Cl)OCO3)nn1 91468765 UTWBIYFGRQKPSE-UHFFFAOYSA-N 360.805 2.742 0 50 FFAA CSCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)o1 95385521 WARYISZMHZJBET-LSDHHAIUSA-N 374.510 2.911 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)CC[C@@]1(O)C1CCOCC1 91550827 PFGFAMMNTAOHGH-VFNWGFHPSA-N 358.482 2.684 0 50 FFAA Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3CCN3CCCC3=O)nc2c1 91849110 HRTOSCFSTVYASV-HNNXBMFYSA-N 372.444 2.789 0 50 FFAA CN(CC(=O)N1CCC[C@H](OCc2ccccn2)C1)Cc1ccccc1F 230486903 VWPWEPQEHOYFAF-IBGZPJMESA-N 371.456 2.860 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)ccc1O 95513152 PVKGYHOVBDHMCJ-SFHVURJKSA-N 370.497 2.869 0 50 FFAA CC(C)c1ccc(C(=O)NC2CCN(C3CCSCC3)CC2)c(=O)[nH]1 97547705 OIEGDBNLCGVSOU-UHFFFAOYSA-N 363.527 2.588 0 50 FFAA Cc1cccnc1CNC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 182707820 OGLZZXRAAUNZHP-INIZCTEOSA-N 354.458 2.755 0 50 FFAA O=C1CSc2ccc(C(=O)N3C[C@@H](C(=O)O)c4ccccc43)cc2N1 299741577 GNXKCBOKVMTBBT-GFCCVEGCSA-N 354.387 2.559 0 50 FFAA COC(=O)[C@]12[C@H]3[C@@H]4CC5(SCCS5)[C@]5(Br)[C@@H]3[C@@H]1[C@@H]5[C@@H]42 252428131 QXEYKUYDOGJKCT-RXIGQQLVSA-N 359.310 2.611 0 50 FFAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cc4c(s3)CCCCC4)C2)n1 253535570 FLYVZLACQMZYRD-TXEJJXNPSA-N 358.467 2.771 0 50 FFAA c1ccc(CO[C@@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)nc1 72154324 WKIAQDXQYPJWJG-LJQANCHMSA-N 353.470 2.653 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OC2CCN(C)CC2)[nH]n1 299795400 OJORFTKRVLYIKY-CQSZACIVSA-N 371.485 2.944 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)CN(C)Cc3ccncc3)cc2)CC1 823715111 OUGGDSYJRIAATD-UHFFFAOYSA-N 368.481 2.625 0 50 FFAA CCC[C@@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1cccs1 584888297 FQKWWZIIXBKXRK-OAHLLOKOSA-N 361.515 2.850 0 50 FFAA Cc1nccn1CC(=O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565511453 JOMUJQHAQCQOEG-DBXWQHBBSA-N 367.449 2.689 0 50 FFAA C[C@H]1CCCN(c2cc(C(=O)NS(=O)(=O)C3CCCCC3)ccn2)C1 408481596 YQMRNQQOKUJVGD-AWEZNQCLSA-N 365.499 2.710 0 50 FFAA O=S(=O)(/C=C/c1ccccc1Cl)NC[C@@H]1CCc2nccn2C1 275246940 GHSGZTUKFIRHTR-RSPDNQDQSA-N 351.859 2.689 0 50 FFAA Cc1c(C(=O)N2CCCC2)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 170619291 UTCXOPQOMMHXDQ-USJZOSNVSA-N 350.418 2.543 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(=O)c2ccccc2o1)C1CC1 1506400722 FWYMLENKJYWENY-UHFFFAOYSA-N 351.406 2.948 0 50 FFAA Cc1cc2nc(CNc3cncc(C(=O)N4CCCC4)n3)[nH]c2cc1C 1529091862 RPPSXRLGEXBNSC-UHFFFAOYSA-N 350.426 2.818 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704345221 XLCGOBVAMMGQTM-OWCLPIDISA-N 353.422 2.637 0 50 FFAA O=C(C1CCOCC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704301062 IIPHXFWISRIXMT-UHFFFAOYSA-N 354.450 2.985 0 50 FFAA CCCCCCNC(=O)N1CCCN(C(=O)c2cncc(F)c2)CC1 1775978427 NULJMZSGXRNQNA-UHFFFAOYSA-N 350.438 2.659 0 50 FFAA COC(=O)c1ccc(CNC(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)cc1 12053292 INVHELWZSCXIMR-GOSISDBHSA-N 370.380 2.616 0 50 FFAA Cc1ccc(OCc2cc(C(=O)NCc3cn(C)nc3C)no2)cc1C 12576069 WUBOTQVIXDTFTL-UHFFFAOYSA-N 354.410 2.842 0 50 FFAA COc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCc2ccco2)cc1O 15001168 SBUBNKAHIWCECW-QGZVFWFLSA-N 370.449 2.912 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cccc(Cn4cccn4)c3)n1)CCNC2 19535312 UGKSDAUPILXPLO-UHFFFAOYSA-N 372.432 2.998 0 50 FFAA c1ccc(-c2nc(CCn3ccnc3-c3cnn4cccnc34)no2)cc1 1857680560 PMEZDFWTZHNBIZ-UHFFFAOYSA-N 357.377 2.886 0 50 FFAA O=C(c1ccccc1)N1CCC[C@]2(C1)CN(c1ccncc1F)CC[C@H]2O 1857687269 NTKNIZDBQYPLCX-TZIWHRDSSA-N 369.440 2.714 0 50 FFAA Cc1ccc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c(Cl)c1 1857727513 VBZAYCWDSREGLG-JYJNAYRXSA-N 361.873 2.909 0 50 FFAA O=C(O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)s1 238034177 GYHQONGKSNTFOY-SNVBAGLBSA-N 364.810 2.635 0 50 FFAA CCCCc1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c[nH]1 248192815 MQCYMUKECLHEAK-PBHICJAKSA-N 373.526 2.832 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@]2(CO)CCN(C)C[C@@H]12 1704325432 JQNAKUIYBVTMDA-FGZHOGPDSA-N 368.525 2.768 0 50 FFAA COC(=O)[C@H](C1COC1)N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 1875302078 YZHLDMZOJGNKQF-ZBEGNZNMSA-N 373.371 2.845 0 50 FFAA CN(C(=O)Cc1cccc2c1[nH]c1c(Cl)cccc12)[C@H]1CCNC1=O 1875306373 CHHYTKHRVWPCEE-HNNXBMFYSA-N 355.825 2.864 0 50 FFAA C[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 1875344872 PWOCLGKLMBGXOA-XJKSGUPXSA-N 358.486 2.834 0 50 FFAA CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3cocn3)nc2)CC1 276940023 AKGHKQQHGCSSLR-UHFFFAOYSA-N 359.430 2.739 0 50 FFAA C[C@@H]1C[C@@H](c2ccccc2)CN1c1ccc(C(=O)N2CCNCC2)cn1 2325798650 MMABHZSABCTEDK-VQIMIIECSA-N 350.466 2.509 0 50 FFAA C[C@@H]1CN(C(=O)c2cnc3ncnc(O)c3c2)CC[C@H](c2ccccc2)O1 2325800890 LJZVTMIVIQLASG-CXAGYDPISA-N 364.405 2.723 0 50 FFAA CC[C@H](CC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1)CN(C)C 2325868343 WXWQQKCZDDYNLD-GOSISDBHSA-N 359.514 2.566 0 50 FFAA O=C(COc1ccc2ccccc2c1Br)N1CCOCC1 671144 SDBAPUKSRFYWLK-UHFFFAOYSA-N 350.212 2.840 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 1003542 NBEWWOWQLQMQSS-UHFFFAOYSA-N 367.814 2.809 0 50 FFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cc1 1146173 BRFHKSONZGMPNR-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA Cc1cccc(C(=O)OCC(C)(C)NC2=NS(=O)(=O)c3ccccc32)c1 1461775 DIUXBRIPIJQNAR-UHFFFAOYSA-N 372.446 2.669 0 50 FFAA O=C(NCCCCCCNC(=O)c1ccccc1O)c1ccccc1O 2023953 RCZUFIIUHYDLDD-UHFFFAOYSA-N 356.422 2.818 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(F)c(F)c3)C1)CC2 2356145156 DGPZFUCNFUVGSN-HXUWFJFHSA-N 372.419 2.941 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356147747 NACHHQFYOATEDW-NRFANRHFSA-N 366.465 2.642 0 50 FFAA CN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(Cl)cc1 2470862 YWGLXXUNDUYRRT-UHFFFAOYSA-N 373.887 2.836 0 50 FFAA O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccccc2C1 2884307 PPFVMPKRZPPZFQ-UHFFFAOYSA-N 357.211 2.690 0 50 FFAA CCOC(=O)[C@H](c1ccccc1)[C@@H](C(=O)OCC)C(=O)c1cccnc1 3130201 HOUUXJLVTPCYJH-IAGOWNOFSA-N 355.390 2.791 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C(=O)O)C1 6699447 BIWKGQZHLMGLGB-MOPGFXCFSA-N 374.456 2.917 0 50 FFAA CC[C@@H](C(=O)N1CCCCCC1)N(c1ccccc1F)S(C)(=O)=O 67603416 QJAQGGFUGLJXOJ-HNNXBMFYSA-N 356.463 2.773 0 50 FFAA CSc1ccc(CN(CCO)Cc2cccn2-c2ncccn2)cc1 55359157 ZDPMHHDCVSIGLW-UHFFFAOYSA-N 354.479 2.984 0 50 FFAA COc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)cc1Cl 246982950 OXZOIKIAWIJBPW-GDBMZVCRSA-N 351.878 2.974 0 50 FFAA C[C@H](NC(=O)[C@H]1CS[C@]2(C)CSCC(=O)N12)c1ccc(Cl)cc1 248232410 CGDJXHXEVYSZJS-OWRWGESLSA-N 370.927 2.924 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CO[C@H]1CCCC[C@H]1CC)CC2 248708830 IMYVQZWZGLSUOA-VSZNYVQBSA-N 353.503 2.750 0 50 FFAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1cccc(F)c1 65361878 FBCPRMHHPQQMGZ-UHFFFAOYSA-N 351.384 2.560 0 50 FFAA Cc1ccc(C2(CN(C)C[C@@H]3COc4ccccc4O3)CCNCC2)nc1 65385664 LLHVIEHUGUMYME-GOSISDBHSA-N 367.493 2.783 0 50 FFAA COc1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)c(OC(C)C)c1 252490283 KNXVWDLYCURZPT-UHFFFAOYSA-N 369.421 2.555 0 50 FFAA COc1cc(CN[C@@H]2CCO[C@H](c3cncn3C)C2)c2c(c1)C[C@H](C)O2 328641654 QRLSNVOGNPRCMA-CRFBAAHOSA-N 357.454 2.762 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 328648407 ULWDWGXAAQVZBV-UFYCRDLUSA-N 354.498 2.987 0 50 FFAA c1ccc(-c2cc(NCc3cccnc3-n3cncn3)n3nccc3n2)cc1 72478026 AVLAHYPOORGSQV-UHFFFAOYSA-N 368.404 2.984 0 50 FFAA NC(=O)COc1cccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 72410296 MRYJMLNQQQBPMZ-IBGZPJMESA-N 366.461 2.575 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC([C@@H](O)c2ccccn2)CC1 219077874 PLUYRCKNKMKRMA-OAQYLSRUSA-N 364.449 2.863 0 50 FFAA CCOC(=O)[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C(=O)OCC 4334620 AAFNHLREYMRPAL-STQMWFEESA-N 373.327 2.632 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3nccn3C(C)C)CC2)n1 72419489 RYBYSJFGDRQLSM-UHFFFAOYSA-N 359.474 2.860 0 50 FFAA O=C(NCc1cscn1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 123082822 DFHAJWGQANJKJK-UHFFFAOYSA-N 363.398 2.874 0 50 FFAA COc1cc(=O)c(C(=O)N(C)c2ccc(C)cc2)nn1-c1ccc(F)cc1 253405191 IFXMMAHASQMRPV-UHFFFAOYSA-N 367.380 2.965 0 50 FFAA Cc1ccncc1S(=O)(=O)NC[C@H](c1ccccc1Cl)N(C)C 253433147 SRPZLRWCGNTYCZ-OAHLLOKOSA-N 353.875 2.625 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(Cc2cccnc2)CC1 328643040 RGUXLTQRFKUQCH-GHTZIAJQSA-N 369.513 2.630 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280158301 UQAYNCATRJOHSM-GAWYNMALSA-N 357.372 2.891 0 50 FFAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 329917238 QTDOJSAQHYIPQS-DWJZYCCASA-N 356.422 2.724 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)CCC2CC2)CC1 77343659 YAJGSILXANJQTG-UHFFFAOYSA-N 359.518 2.697 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC([C@@H](C)N2CCOCC2)CC1 72457133 DAXQDNYPESDKHO-CQSZACIVSA-N 366.889 2.922 0 50 FFAA CN1CC2(CCN(c3cc(-c4ccccc4)nc4ccnn34)CC2)OC1=O 72419038 HXMLHPRCUREQSX-UHFFFAOYSA-N 363.421 2.817 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 13324373 GUFWLJPJIYBSNJ-UHFFFAOYSA-N 368.437 2.608 0 50 FFAA Cc1nn(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c(=O)c2ccccc12 77437171 JYTDDMGDXWGSEY-INIZCTEOSA-N 365.408 2.860 0 50 FFAA O=C(CCn1cnnc1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 72431515 RLHQPCWZNFEYOK-OAQYLSRUSA-N 367.497 2.573 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(Oc2cccc(F)c2)CC1 72417888 GKTLBHFJQKOGFT-UHFFFAOYSA-N 350.777 2.851 0 50 FFAA C[C@H]1CN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)CCO1 333578573 QZRUNUQIVQUQQW-ZFWWWQNUSA-N 357.479 3.554 0 50 FFAA COCCOc1ncccc1NC(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 157824475 QVJOYTCCRWTIBO-YJBOKZPZSA-N 374.485 2.587 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CC[C@@H](N)C[C@@H]1C 237613072 RHMWNDXDNJBSNM-YTDHAIJISA-N 356.445 2.980 0 50 FFAA COCCCN1C[C@]2(CCCN(Cc3nccn3C(C)C)C2)CCC1=O 77378472 RDELLIAVQYKDOR-HXUWFJFHSA-N 362.518 2.705 0 50 FFAA O=C(CC1(C(=O)O)CCCCCC1)N[C@H]1CCN(c2ncccc2F)C1 237914806 SHOAPUFNTIAQPG-AWEZNQCLSA-N 363.433 2.731 0 50 FFAA O=C(O)c1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1 41148866 MBJXKKJCTJLRDV-UHFFFAOYSA-N 350.378 2.908 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CCO1 378558186 GJGDEQTWSDWKLK-KBMXLJTQSA-N 355.442 2.886 0 50 FFAA C[C@H](NC(=O)CN(C)Cc1nc(O)c2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1C2 241262000 LALSKNZIEFIGLM-QBYUYEEZSA-N 368.481 2.708 0 50 FFAA COc1cccc(CCC(=O)N2CCCC[C@H]2CCN2CCOCC2)c1 82126380 QIYIHGNEJIKDAR-IBGZPJMESA-N 360.498 2.731 0 50 FFAA CCc1nccn1CCC(=O)N1CCC[C@@H](c2nccn2CC2CC2)C1 82120676 DPLJNNDDVJADFA-QGZVFWFLSA-N 355.486 2.848 0 50 FFAA CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(O)c(F)c(F)c2)cc1 426544629 CZOCGVXXAAMRJS-GOSISDBHSA-N 374.387 2.934 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)NCCc1nc(C)c(C)s1 426589901 CFBUTYFJGOWJMO-UHFFFAOYSA-N 360.483 2.803 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 222723415 PTBUQJHEYSVQCR-YHELAOLJSA-N 354.450 2.986 0 50 FFAA Cc1nonc1CSc1nnc([C@H](C)N)n1-c1cccc(Cl)c1 426534480 PLVWKEJCUFVOEZ-QMMMGPOBSA-N 350.835 2.924 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCc2nnn(C)c2C1 289743571 JTJCBTZGKGNKIC-LLVKDONJSA-N 352.360 2.597 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCCO3)N2CCOCC2)o1 426360163 MTEFLDVQMHFJQL-SFHVURJKSA-N 370.449 2.716 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)N[C@H](C)c2nncn2C(C)C)CC1 426477191 JPBGIHWIINCBLU-MRXNPFEDSA-N 371.489 2.545 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccc3nsnc3c1)C2 95516593 HORWQRILRXLOCP-CQSZACIVSA-N 369.446 2.910 0 50 FFAA C[C@@H]1CN(Cc2cccc(CNS(=O)(=O)CC3CCCC3)c2)CCO1 178314539 MDHJREFTWQSSGK-MRXNPFEDSA-N 366.527 2.517 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(C(=O)C3CCCCC3)CC2)n1C 92037954 BEILCYMPLNUAFX-UHFFFAOYSA-N 370.501 2.655 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1cc(C(F)(F)F)[nH]n1 97757828 DFIJYFNRRZTNGM-AWEZNQCLSA-N 367.375 2.781 0 50 FFAA CSc1ccc([C@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)cc1 95353689 DKRQXYXBNITHMG-QGZVFWFLSA-N 374.462 2.975 0 50 FFAA NC(=O)Cn1ccnc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 96139035 PGOSYBMTZSVQNZ-UHFFFAOYSA-N 368.462 2.603 0 50 FFAA O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCC[C@@H]1Cn1ccnc1 180692470 CLKABFJIZBCVTE-GFCCVEGCSA-N 374.807 2.561 0 50 FFAA Cc1oc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C(=O)O 299747195 CIRNKABTOYUWDM-SECBINFHSA-N 360.391 2.649 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1 299767716 NJZQMCUXTZNLDJ-IMFGXOCKSA-N 357.454 2.590 0 50 FFAA CC[C@H](C)n1nc(C)cc1NC(=O)NCCn1ncc2ccccc2c1=O 299756683 HIGJNGPDRIPTPS-AWEZNQCLSA-N 368.441 2.694 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@H]3CC(=O)N(C4CC4)C3)cs2)c1 299777748 LQQRWCNVSNFCFV-AWEZNQCLSA-N 355.463 2.746 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2CC(Cc3cccc(F)c3)=NO2)c(OC)c1 299764339 ZSVGRDJWLHWXIR-IBGZPJMESA-N 372.396 2.847 0 50 FFAA O=C(CCSCc1ccccc1)NC1CCN(c2cnccn2)CC1 299785203 KLCBKNPWUMPFPB-UHFFFAOYSA-N 356.495 2.885 0 50 FFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cnn3ccn(C)c23)C1 299787692 ZPGMHYRLXMRNEO-INIZCTEOSA-N 352.438 2.912 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)c2ccc(CN3CCCC3)o2)c1 828066205 KZIJDTPOCAQKGI-UHFFFAOYSA-N 355.438 2.942 0 50 FFAA COCCn1cncc1CNC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 824466090 FTJRPQBQXAPNKV-LJQANCHMSA-N 374.460 2.512 0 50 FFAA CNC(=O)[C@@H](NC(=O)NCC1(N2CCCC2)CCCCC1)c1ccccc1 584898452 BCBWGVYYRMADJA-SFHVURJKSA-N 372.513 2.572 0 50 FFAA Cc1ncccc1Oc1ncnc(N2CCN(C(=O)C3CCC3)CC2)c1C 670467411 HBYDMGNCYJYECG-UHFFFAOYSA-N 367.453 2.729 0 50 FFAA C[C@@H](NC(=O)Nc1csnc1-c1ccccc1)C(=O)NCC(F)(F)F 1331303878 PDSKBSTTYHYDFP-SECBINFHSA-N 372.372 2.999 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)CCn1c(=O)oc2ccc(C)cc21 952976265 NLGJXKCZWLQANQ-QGZVFWFLSA-N 369.421 2.534 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccc2ncsc2c1 1565529287 UKVLDMHHKWLBMA-NBMRYCAZSA-N 357.479 2.668 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1c[nH]c(C)n1)CC2 275832938 WYXXNQINDBKFGB-KRWDZBQOSA-N 372.494 2.823 0 50 FFAA CO[C@@H](CNC(=O)N1CCc2ccnc(O)c2C1)c1ccc(Cl)cc1 277134660 UFVIHRXIEGLPRF-INIZCTEOSA-N 361.829 2.896 0 50 FFAA Cc1csc2c(=O)n(CC(=O)N3CCC[C@H](C(F)(F)F)C3)cnc12 195412566 LOELNYHIJOMGBW-JTQLQIEISA-N 359.373 2.567 0 50 FFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1nc(C2CCCC2)no1 762177565 GSYVQIVXOCHQEY-INIZCTEOSA-N 355.442 2.952 0 50 FFAA CC1=C(C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)OCCO1 1506406949 KXVKDNVXIZSAPR-UHFFFAOYSA-N 367.449 2.985 0 50 FFAA O=C(CC1CCN(Cc2ccccc2)CC1)Nc1cnn2c1NCCC2 1529188773 CIRPZRRCNIUHAO-UHFFFAOYSA-N 353.470 2.940 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2ccccc2)[C@H]1c1ccccc1 1529182234 YLYWDFQOZLQSFN-RTWAWAEBSA-N 366.461 2.722 0 50 FFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(Cl)cc1Cl 1134257 YYNMRSKGQUKJTL-WZUFQYTHSA-N 359.234 2.566 0 50 FFAA CCc1nc(C)c(C(=O)N2CCCN(C(=O)Cc3cccs3)CC2)o1 1704338684 WZRUYGYGBHXILY-UHFFFAOYSA-N 361.467 2.524 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772706436 ZLAXTHQYLIZMBT-OFNKIYASSA-N 362.473 2.916 0 50 FFAA COC[C@H]1CCN(Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 11663227 HVBIIBWSZGCVDZ-KRWDZBQOSA-N 370.497 2.737 0 50 FFAA CCOC(=O)CNC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 11817373 QHJVVEUFMAVCHM-UHFFFAOYSA-N 363.801 2.626 0 50 FFAA CC(=O)C(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 12315510 FPIALPDIKLVXCR-LJQANCHMSA-N 363.546 2.545 0 50 FFAA O=C(C1CCOCC1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12438838 GBXVJAJEPLZCKY-OAQYLSRUSA-N 374.456 2.593 0 50 FFAA CCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2cccc(F)c2)c1=O 14879315 QJNMFVTXTWQXJH-ZDUSSCGKSA-N 373.428 2.638 0 50 FFAA CCn1ncc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccc(F)cc2)c1C 19337407 RPQXMDBKKAYAAL-RBUKOAKNSA-N 372.444 2.598 0 50 FFAA COC(=O)COc1ccccc1CN1CCC[C@H]1c1ccc(C(N)=O)s1 19639515 YYOYUHQBGAETKQ-AWEZNQCLSA-N 374.462 2.736 0 50 FFAA COc1cc(C)c(CN2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C 19742676 UBQWQVJHILFCEW-QGZVFWFLSA-N 356.470 2.813 0 50 FFAA OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccc(F)cc1 19770733 DXNJPEDOASSKIB-LJQANCHMSA-N 372.440 2.623 0 50 FFAA Cc1ncccc1CN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCCC3)C2)C1 1857687817 GOEIQAQNGQUAJP-IFMALSPDSA-N 371.525 2.756 0 50 FFAA CC(C)N1C[C@H](CN2CCN(c3nc4ccccc4o3)CC2)CCC1=O 1857693499 ZMZRQJSOYCTZBY-INIZCTEOSA-N 356.470 2.597 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857722790 OBXCEADWJKBGOA-TWOQFEAHSA-N 355.482 2.633 0 50 FFAA CCn1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)cn1 1857722971 RWVNREYEXVWATN-OKZBNKHCSA-N 374.872 2.501 0 50 FFAA Cc1cccc(Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 629083 RNZCQTSUMPXBQM-UHFFFAOYSA-N 367.453 2.525 0 50 FFAA CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCC(c2ccn[nH]2)CC1 125500927 BKGXYUUDFXMUPT-SFHVURJKSA-N 372.444 2.709 0 50 FFAA Cc1cn(C)nc1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 331723958 LYYJNMUDULWFFS-ZFWWWQNUSA-N 354.237 2.766 0 50 FFAA Cn1cc(CNCC2(N3CCCCC3)CCOCC2)c(-c2ccncc2)n1 237753186 LUJITHFNVGRVNG-UHFFFAOYSA-N 369.513 2.607 0 50 FFAA COc1ccc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)cc1Br 153507013 BSDWRPINMAZJFL-RYUDHWBXSA-N 355.276 2.599 0 50 FFAA O=C(Cn1cc(C2CC2)nn1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 153667570 DHQURQUDDFPTOX-INIZCTEOSA-N 364.808 2.548 0 50 FFAA Cc1ccccc1-n1nc(C)c2cc(C(=O)N[C@H]3CCN(C)C3=O)sc21 155182519 KJZLSCZDXQKUTK-AWEZNQCLSA-N 368.462 2.664 0 50 FFAA COCc1nsc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 267364719 ISJXJZIZEHPTPA-UHFFFAOYSA-N 360.270 2.713 0 50 FFAA CCC[C@H]1CCCN1C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 912464234 QTTLYUVTDSYZQM-IBGZPJMESA-N 372.513 2.829 0 50 FFAA Brc1ccccc1-n1nncc1-c1nc(-c2cnccn2)no1 904652254 RVLIHZSXRGMXSE-UHFFFAOYSA-N 370.170 2.537 0 50 FFAA C[C@@H]1CC[C@H](CO)N1C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2 922015228 NIHKMUJLCPQJII-DGCLKSJQSA-N 361.392 2.625 0 50 FFAA Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1nc2c(s1)COCC2 1875292673 PDYJXAGREYIWFN-UHFFFAOYSA-N 372.494 2.528 0 50 FFAA Cc1cc(CCC(=O)N[C@]2(C)CCCN(C(=O)C3CC4(CC4)C3)C2)on1 1875408369 UMFHRVVYPSXKLA-LJQANCHMSA-N 359.470 2.603 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 781574 NAKNYUUBLNQKMS-UHFFFAOYSA-N 371.462 2.902 0 50 FFAA Cc1c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)sc2cncn12 2325789642 AVKKHGPCJYFFFF-UHFFFAOYSA-N 369.494 2.704 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C[C@H](O)COc2cccc(C(=O)O)c2)C3)cc1 2325803017 JGEWJLQOQWMEAN-CNNODRBYSA-N 367.445 2.706 0 50 FFAA Cc1ccc(C)n1CC(=O)NCCN(C)C(=O)c1cc(Cl)cs1 2325870858 RZWPXQOXERVNKP-UHFFFAOYSA-N 353.875 2.708 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(OC)cc1Cl 684812 BEEMDJLYJGUJAI-HNNXBMFYSA-N 368.817 2.938 0 50 FFAA CCc1nc(C)c(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)[nH]1 2356137375 LKCWVUFUWQHNFQ-CBGDNZLLSA-N 374.529 2.541 0 50 FFAA COc1ccc(CCNC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1OC 2291124 LNSYHTUJWZZIST-QGZVFWFLSA-N 371.433 2.696 0 50 FFAA biogenic C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 248069118 FTRQXIFUSHIUAY-ZSYWTGECSA-N 371.529 2.557 0 50 FFAA CC(C)C(NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C 24606343 BWQQFBGZQCWFSC-UHFFFAOYSA-N 372.556 2.946 0 50 FFAA C[C@H](c1ccccc1)N(CCC(=O)O)C(=O)CCC(=O)NC1CCCC1 55404143 OKLWFZAWZWVBED-OAHLLOKOSA-N 360.454 2.890 0 50 FFAA CSc1ncc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 55254154 YJXVYTXCYXUKRW-OAHLLOKOSA-N 352.467 2.946 0 50 FFAA COCCN(Cc1ccc(C)cc1)C(=O)C1CCN(c2ncccn2)CC1 55269987 OTQRDZQEUDGRLT-UHFFFAOYSA-N 368.481 2.677 0 50 FFAA CCCC[C@H](c1cccnc1)N(C)C(=O)CSc1nnc(N)s1 55073238 HVSLXPVRJBFAGM-GFCCVEGCSA-N 351.501 2.997 0 50 FFAA Cc1cc(OCC(=O)NC2CCN(C)CC2)cc(C)c1Br 65363607 RQWMCXIKOGIEML-UHFFFAOYSA-N 355.276 2.655 0 50 FFAA COC1(OC)[C@@]2(Cl)C[C@@H](OC(C)=O)[C@@]1(Cl)C(Cl)=C2Cl 100760665 FFSXDNVDSRAIPV-BDODKLCJSA-N 350.025 2.969 0 50 FFAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1coc(COc2ccccc2F)n1 67673628 WKAIWZXAFNOTEJ-CQSZACIVSA-N 361.417 2.807 0 50 FFAA Cn1ccnc1-c1cccc(-c2ccn(CC(=O)NCc3ccco3)n2)c1 20995822 DNXBNGOUPANWPP-UHFFFAOYSA-N 361.405 2.860 0 50 FFAA O=C(O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1 846291 MBKIFDZRLANKGM-CQSZACIVSA-N 374.245 2.968 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 71757273 HVQFDDGRXHJAIT-GOSISDBHSA-N 369.509 2.590 0 50 FFAA CO[C@H]1[C@H](NC(=O)c2ccc(C)c(O)c2)c2ccccc2C12CCNCC2 72424742 CRSMGBWMFBVMQH-UXHICEINSA-N 366.461 2.822 0 50 FFAA O[C@H](Cn1ccnc1-c1cc2n(n1)CCNC2)c1cc2ccccc2s1 72426883 BDKPMNFVBCETQS-MRXNPFEDSA-N 365.462 2.798 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CC[C@H](N4CCCC4)C3)n2)n1 171449892 YILPIFDECORPMW-HNNXBMFYSA-N 373.888 2.848 0 50 FFAA Cc1cccc(O[C@H](C)C(=O)N(C)c2ncc(Br)cn2)c1 253428181 CESLQYCGPHITCL-LLVKDONJSA-N 350.216 2.978 0 50 FFAA CC(C)NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2c2ncon2)c1 122690827 RKHCIUPZEMNGDM-OAHLLOKOSA-N 357.414 2.967 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@H](O)c2ccccc2F)n1C 328632568 LKVQZGOAEWXMBI-MJGOQNOKSA-N 359.445 2.784 0 50 FFAA CN(Cc1nnc(C2CC2)n1C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328638155 OYZCSRZNCGAONV-GJZGRUSLSA-N 363.506 2.798 0 50 FFAA CC(C)Cc1noc(CSCC(=O)NC[C@H]2Cc3ccccc3O2)n1 154646978 IBZZCHZFTJBDEV-CQSZACIVSA-N 361.467 2.621 0 50 FFAA CCc1c(C)cc(C(=O)N(CCOC)Cc2ccccc2F)c(=O)n1C 216258750 YVULTZISFYBKEN-UHFFFAOYSA-N 360.429 2.684 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc12 72146637 YXDWARXMDVGMMU-INIZCTEOSA-N 364.497 2.941 0 50 FFAA CCc1nnsc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71775539 KWKSJDCBAJZBNS-OAHLLOKOSA-N 372.494 2.754 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3ncsc3c2)[C@H]2C[C@@H](O)C2)cn1 218986225 CORMLOJBJQJCFH-HBUWYVDXSA-N 369.446 2.942 0 50 FFAA Cc1cncc(C(=O)N2CCc3c(nc(-c4cccnc4)nc3N(C)C)C2)c1 72151770 WKAWITMLOIRQNB-UHFFFAOYSA-N 374.448 2.507 0 50 FFAA O=C(Cn1nc2ccccc2n1)N[C@@H](c1ccncc1)c1ccc(F)cc1 219639482 VGKHSZPGVNQPDQ-HXUWFJFHSA-N 361.380 2.871 0 50 FFAA Cc1nc2c(c(NC3CCCC3)n1)CCN(C(=O)[C@H]1CCCCO1)CC2 72430851 YOOHCLXVLKMWQX-GOSISDBHSA-N 358.486 2.636 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3cc4ccccc4n3C)C2)n1C 72431522 ONMZHABEXFCJEA-QGZVFWFLSA-N 366.513 2.748 0 50 FFAA Cc1nc(N2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)sc1C 126618836 HBXWPQPZHOVNNZ-OAHLLOKOSA-N 370.478 2.535 0 50 FFAA Cc1cc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 72171637 NKRUJPJYDSUVPE-QXAKKESOSA-N 371.435 2.712 0 50 FFAA Cc1noc([C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C2CCOCC2)n1 332776234 UGCDSNLNWDZEJX-QGHHPUGFSA-N 362.430 2.761 0 50 FFAA CSc1ccccc1C(=O)NC[C@@H](c1ccncc1)N1CCOCC1 216085419 CHEYWAYMMLLVKV-KRWDZBQOSA-N 357.479 2.607 0 50 FFAA Cc1nc(=O)cc([C@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)[nH]1 216303527 LZGUODDTPJCCGF-ZDUSSCGKSA-N 371.872 2.998 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccco2)[C@@H]2C3CCN(CC3)[C@H]12 72152046 JYXZPXNOLXLOSL-PWIZWCRZSA-N 352.434 2.991 0 50 FFAA Cc1ccc2nc(SCC(=O)N3CCN(c4cccnc4)CC3)[nH]c2c1 82146382 XGZYOBNIKXOBOO-UHFFFAOYSA-N 367.478 2.707 0 50 FFAA Cc1nc2ccc(CNC(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)cc2[nH]1 220384029 WMWQQNAXRHUHTE-DLBZAZTESA-N 368.481 2.916 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82108974 YORYSPALFOUPCI-INIZCTEOSA-N 368.433 2.646 0 50 FFAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCOC2(CCCCCC2)C1 160481535 NPVVFXDGSWYNON-UHFFFAOYSA-N 373.478 2.777 0 50 FFAA O=C(NCc1ccccc1)C1CCN([C@@H]2CCOC3(CCOCC3)C2)CC1 82120235 VRCYMNSKGRKQMC-HXUWFJFHSA-N 372.509 2.743 0 50 FFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1coc(CN2CCOCC2)c1 97772722 TYZVPJKRYSGMSP-HNNXBMFYSA-N 369.343 2.540 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3)C[C@H]2N(C)C)cc1 91602913 ZJDYLTXZHQQOIV-RBUKOAKNSA-N 354.450 2.879 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cc([C@H]2CCOC2)ncn1 426691194 NCTDNSCGVRXUIJ-HNNXBMFYSA-N 367.428 3.534 0 50 FFAA O=C(NC1CCN(Cc2cccs2)CC1)c1cc(=O)[nH]c2ccccc12 91655848 BUOJDYIVFWNBTF-UHFFFAOYSA-N 367.474 2.984 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCc2csc(N(C)C)n2)c1 92099398 AQVBQEXQNRGIQU-UHFFFAOYSA-N 357.439 2.538 0 50 FFAA CC(C)OC(=O)c1cc(NC(=O)N2CCC(=O)NC[C@@H]2C)ccc1Cl 96153789 JAQRBNPIIJWCHB-NSHDSACASA-N 367.833 2.648 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCCCc1nc(C)cs1)CC(=O)N2 91519312 GTQBZYCXORCWDV-AWEZNQCLSA-N 359.451 2.635 0 50 FFAA Cc1[nH]c2c(CN3CCN(C)[C@]4(CCC(=O)N(C)CC4)C3)cccc2c1C 95359880 UWTFPVXLJWAXSS-QFIPXVFZSA-N 368.525 2.913 0 50 FFAA COc1ccc2nc(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)[nH]c2c1 95355644 JGKXWPBNOMOHAJ-CQSZACIVSA-N 368.437 2.693 0 50 FFAA CCn1c(C)cc(C)c(C(=O)NC[C@H]2CCOc3ccccc3C2)c1=O 97492389 GKTRJNNKEWZKQM-INIZCTEOSA-N 354.450 2.856 0 50 FFAA CC(C)c1cncnc1N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 91468470 APUMXNBEAUWSSU-NRFANRHFSA-N 371.529 2.513 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCCn1ncc3ccccc31)C2 91563359 YJRWEJCBALBKGH-KRWDZBQOSA-N 365.433 2.803 0 50 FFAA CC(C)[C@@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@H]1NC(=O)N(C)C 91462298 GAFGSSPDEQVOGQ-ZWKOTPCHSA-N 369.465 2.730 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(=O)[nH]1 92097979 AHCRYDITYLNNJW-UHFFFAOYSA-N 371.481 2.506 0 50 FFAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 90454714 AGHMAGPUUYKTIX-GOSISDBHSA-N 369.852 2.794 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 95381347 XXWHZDGEVPGVKT-CQSZACIVSA-N 358.405 2.707 0 50 FFAA O=C(CCCN1Cc2ccccc2C1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244874396 XAPUDESCQVYZLJ-IPJJNNNSSA-N 365.477 2.806 0 50 FFAA COc1ccccc1CNC(=O)CCN1CCN(c2ccc(F)cc2)CC1 243441368 NBZHJTCHFHQZLA-UHFFFAOYSA-N 371.456 2.663 0 50 FFAA CC[C@@H]1C=CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 243902149 BHCMOFYUKJQARV-BZUAXINKSA-N 355.438 2.596 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCOc2ccccc21 299742878 JBHXTLUKQBVRSR-AEFFLSMTSA-N 364.401 2.846 0 50 FFAA Cn1cnc(-c2ccc(NC(=O)N3CCC[C@H]3CN3CCCC3)cc2)n1 184651266 WYNRISYXEDRXKK-KRWDZBQOSA-N 354.458 2.574 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3ncccc3c2)[C@H]2C[C@@H](O)C2)c1 252522966 BNNGVZDQFLUYNG-VPWXQRGCSA-N 363.417 2.880 0 50 FFAA C[C@@]12CC3CC(OCCNC(=O)CCCn4cncn4)(C1)C[C@](C)(C3)C2 828025710 JVZXHCVBWJFRNF-JUNHRQJPSA-N 360.502 2.940 0 50 FFAA Cc1c[nH]ccc1=NCCNC(=O)c1ccc(N2CCCC2)c(Cl)c1 828152514 MZPFZPCVFYFYJJ-UHFFFAOYSA-N 358.873 2.907 0 50 FFAA Cc1ncnc(N2CCN(C(=O)NCCSc3ccccc3)CC2)c1C 827952967 PKQNWBRFCUPXEV-UHFFFAOYSA-N 371.510 2.717 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)N(C)CC2(CO)CCOCC2)cc1F 584897344 FDQATWYVZKYCFW-CQSZACIVSA-N 368.449 2.716 0 50 FFAA Cc1cc(C)n(CCNc2ncnc3sc4c(c23)CCCC4)c(=O)n1 952962262 DAOLTCCNSCGRET-UHFFFAOYSA-N 355.467 2.856 0 50 FFAA CCCSc1ncc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)cn1 75918674 ITCLBSVSXFXDDK-YPMHNXCESA-N 352.467 2.844 0 50 FFAA C[C@@H]1CCCN(c2cc(C(=O)NS(=O)(=O)C3CCCCC3)ccn2)C1 408481597 YQMRNQQOKUJVGD-CQSZACIVSA-N 365.499 2.710 0 50 FFAA CCCc1ncc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)s1 275371453 NXUTZOCQXLNRJQ-NSHDSACASA-N 350.444 2.816 0 50 FFAA Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3ccccc3)cc1)CC2 170737454 NUHRAGUPZICJTD-KRWDZBQOSA-N 368.462 2.547 0 50 FFAA CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cn(C)c(=O)c2ccccc12 758106871 VIEDZGABEJELLR-UHFFFAOYSA-N 372.428 2.996 0 50 FFAA C[C@@H](C(=O)Nc1ccnn1C1CCCC1)n1cnc2ccccc2c1=O 1506420370 ALEONQNBUIXTFI-ZDUSSCGKSA-N 351.410 2.908 0 50 FFAA Cc1cc(C[C@@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]2O)on1 1529106903 TXDRSXHDBPMICT-QAPCUYQASA-N 360.841 2.948 0 50 FFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCSC)ccc1F 1704328363 MWIUPGKRRUTHNL-UHFFFAOYSA-N 353.419 2.648 0 50 FFAA Cc1cnc(C(=O)N2CCCN(CC3CCC(F)(F)CC3)CC2)cn1 1772806246 AGDBYOSECWCGPG-UHFFFAOYSA-N 352.429 2.758 0 50 FFAA COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC 5732527 TUGWPJJTQNLKCL-UHFFFAOYSA-N 360.318 2.603 0 50 FFAA biogenic,in-vitro C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCC1 11692477 MCFPJRJZAZXNRR-AWEZNQCLSA-N 366.421 2.743 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCCO2)nc1 12210643 OBSGTUAHLPUKMX-MRXNPFEDSA-N 369.421 2.573 0 50 FFAA O=C(NC1CCCCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 169768903 BLWHNNSAAVINEY-UHFFFAOYSA-N 351.410 2.537 0 50 FFAA Cc1nc(CCNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)sc1C 151425354 YTIROMDMWHGQCE-SFHVURJKSA-N 373.522 2.710 0 50 FFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)COc1ccccc1 1857671149 QCZVQNDRLZSDMG-LRXVAGHRSA-N 364.445 2.543 0 50 FFAA Cc1ccccc1-n1cc(CN(C)[C@@H]2CCOC3(CCNCC3)C2)cn1 1857682781 RZBCVWWFQTXWHT-LJQANCHMSA-N 354.498 2.914 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3)c1ccoc1 1857717766 XMGUWLZGZCPGQE-GPQLQYNLSA-N 366.461 2.732 0 50 FFAA Cc1ccnc(N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 119921535 FANWOHGLYSQBFO-UHFFFAOYSA-N 369.856 2.602 0 50 FFAA Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC12CCNCC2 328651870 WCLSPODVZWJWSN-QRVBRYPASA-N 364.493 2.695 0 50 FFAA CC(=O)N1CCCN(C(=O)NCc2cc(C)ccc2Br)CC1 332312965 JAJJDPXJBINAAK-UHFFFAOYSA-N 368.275 2.521 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CCCCS2(=O)=O)C2CC2)o1 242389282 ZVVQZJLWFBTMPH-ISTRZQFTSA-N 351.468 2.861 0 50 FFAA CC(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)n1nnc(-c2ccccc2)n1 151357560 SXSXBJHUKZELRE-QGZVFWFLSA-N 369.469 2.709 0 50 FFAA COC(=O)CCCc1csc(NC(=O)C(F)(F)c2ccccn2)n1 156348755 OLDBFCHRVWDJSE-UHFFFAOYSA-N 355.366 2.764 0 50 FFAA C[C@H]1CCCN(Cc2ccc(CNC(=O)c3cccc(C(=O)O)n3)cc2)C1 911179308 CMZBVTUYNJACPC-HNNXBMFYSA-N 367.449 2.942 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 861335597 ILEMAJYKBDSCNI-UHFFFAOYSA-N 366.286 2.932 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(CC(F)F)C1 868224782 HMMABPMZEIENBY-MKSNKDDYSA-N 358.473 2.896 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCN2)cc1 870137609 YJSAATVYZURBNA-HNNXBMFYSA-N 365.355 2.896 0 50 FFAA Cc1ccc(-c2cnc(CNC(=O)c3ncoc3[C@H]3[C@H]4CN[C@H]3C4)o2)cc1 1875394166 ZSPGJAOMXUTSHM-KEYYUXOJSA-N 364.405 2.643 0 50 FFAA CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2CCC2)c1C 1875333056 YBKIHXIQOZEIMQ-KRWDZBQOSA-N 371.481 2.817 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc(C2CC2)[nH]c1C1CC1 1875401040 RHPALKKAVMNGAC-JBBXEZCESA-N 354.454 2.536 0 50 FFAA COc1ccc2c(NC[C@@H]3CCO[C@@H]3c3nc(C)no3)ncnc2c1F 888078621 CBHWLBKRCWQDES-BONVTDFDSA-N 359.361 2.659 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)ccc21 2325889789 WACHXYZOJLBYFR-ZDUSSCGKSA-N 352.438 2.685 0 50 FFAA C=CC(=O)Nc1ccc(CCC(=O)Nc2ccnn2[C@@H]2CCOC2)cc1 2325894318 PEBSBJYFLJFWCX-MRXNPFEDSA-N 354.410 2.540 0 50 FFAA CCOC(=O)C1=NNC(c2ccccc2)(c2ccccc2)[C@H]1C(=O)OCC 706771 UFBGIOJISDMOII-QGZVFWFLSA-N 366.417 2.632 0 50 FFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C)cc1C 780872 WCESROKRQLADDG-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2ccccc2F)cc(OC)c1OC 881788 SKAAUFAGUOISBW-UHFFFAOYSA-N 364.398 2.978 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1F 950257 LUECRQZKWDPXON-UHFFFAOYSA-N 352.406 2.784 0 50 FFAA O=C(O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 952356 OYGYCAINVYZWQY-UHFFFAOYSA-N 365.208 2.972 0 50 FFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1 971086 VGPWHIKJIOXKKH-SFHVURJKSA-N 367.405 2.970 0 50 FFAA O=C(c1ccnc(N2CC[C@@H](c3ccccc3)[C@H](O)C2)c1)N1CCCC1 2356148512 BYJNINSBQQELAI-RBUKOAKNSA-N 351.450 2.672 0 50 FFAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1O 4641418 FWQFAURLMDTDCV-UHFFFAOYSA-N 372.196 2.654 0 50 FFAA O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)c2ccccc2)cc1 6702720 GEQBZKJGOJFMSL-QGZVFWFLSA-N 359.447 2.569 0 50 FFAA CC[C@H](CO)N(Cc1ccsc1)Cc1cn(CC(N)=O)c2ccccc12 55344201 LDEFQKQGXFLEBY-QGZVFWFLSA-N 371.506 2.961 0 50 FFAA O=C1C[C@H](Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F 100120808 AGNULNVDXZEHSS-NSHDSACASA-N 353.325 2.920 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)C1 112251796 WTPFBGFZSLJVJF-YJBOKZPZSA-N 364.461 2.994 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 101678724 PUTVOMDECRKGMB-PVFTVIPPSA-N 367.232 2.963 0 50 FFAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CCCc2ccccc21 245266594 KFIKGKHYQVISNC-KURKYZTESA-N 354.450 2.746 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CC(c2ccccc2F)C1 463009316 KIETWDSOPXARIZ-CYBMUJFWSA-N 356.372 2.944 0 50 FFAA COc1ccc(Cc2n[nH]c3c2CN(Cc2ccc(CO)o2)CC3)cc1 23159335 YQSHCAJHPNWKJY-UHFFFAOYSA-N 353.422 2.653 0 50 FFAA COc1ccc(O[C@@H](C)C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 248161043 XNCNAUIGJNOGKD-JXFKEZNVSA-N 354.450 2.978 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(Cn2ccnc2C(C)C)n[nH]1 67954757 TWSQXVFIQFMENZ-CQSZACIVSA-N 369.473 2.951 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)N2CCCN(C3CCCC3)CC2)c1 172463695 QNFAUDUKIBYWBH-UHFFFAOYSA-N 374.485 2.537 0 50 FFAA Cc1n[nH]c(C(C)C)c1C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 137390064 SNCGBGGDVLJFFD-UHFFFAOYSA-N 350.463 2.925 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)c1ccccc1N1CCOCC1 66548733 QBTRJUXTBSMCTH-UHFFFAOYSA-N 368.433 2.615 0 50 FFAA CCn1c(CC2CCNCC2)nn(Cc2cc(C3CCCCC3)no2)c1=O 65403274 UBNQLADNZRYXPU-UHFFFAOYSA-N 373.501 2.691 0 50 FFAA C[C@@]1(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CCCO1 123116030 ZNILYACICHWHSP-FQEVSTJZSA-N 350.422 2.779 0 50 FFAA O=C([C@@H]1CCc2nncn2C1)N1CCCC[C@@H]1c1nc2ccccc2o1 328950882 XBYSXVCHAHPUJE-UKRRQHHQSA-N 351.410 2.736 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 72463237 KQNZQHZSNXYZNY-LJQANCHMSA-N 372.509 2.865 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 124753809 XDWMFKBEHUZJHN-KRWDZBQOSA-N 365.836 2.727 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)CC3 217705832 KWJLEWZQVOGMTC-CQSZACIVSA-N 369.465 2.566 0 50 FFAA biogenic FC(F)(F)c1ccnc(NCCN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 121902030 QLHOJJKRPADIAJ-BNOWGMLFSA-N 356.392 2.845 0 50 FFAA O=C1[C@@H](N2CCN(c3cnc4ccccc4n3)CC2)CCN1c1ccccc1 329260246 YXRDUUXEUDVHTL-FQEVSTJZSA-N 373.460 2.557 0 50 FFAA Cc1cccc(C(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)c1 72434302 WCAKLAKKEDUHJV-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA Cc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 72151299 XPQUVOKCUIMPKN-QGZVFWFLSA-N 363.417 2.976 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2-n2ccnc2)c1 363291725 QQDXPCLQQIOWKO-UHFFFAOYSA-N 362.433 2.535 0 50 FFAA Cc1noc(-c2cccnc2N2CCC3(CC2)C[C@H]3c2nnc(C)o2)n1 363263442 VNSJJIGGPZKRPY-AWEZNQCLSA-N 352.398 2.906 0 50 FFAA COc1cccc(CCC(=O)N2CCCN(Cc3cccnc3)CC2)c1 77522108 XLEMDUXFKXUESN-UHFFFAOYSA-N 353.466 2.757 0 50 FFAA CCOc1ccc2cc(C(=O)N3CC(C)(C)O[C@]4(CCOC4)C3)[nH]c2c1 366563422 FVKVCQIYMVDAPO-HXUWFJFHSA-N 358.438 2.977 0 50 FFAA O=C(c1cncc(N2CCO[C@H](c3ccc(F)cc3)C2)n1)N1CCCCC1 71738651 XYUXDALYLGBOJJ-SFHVURJKSA-N 370.428 2.820 0 50 FFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)Cc1ccc2c(c1)OCO2 219272404 DXGPVEKAWIZTIQ-IBGZPJMESA-N 366.461 2.938 0 50 FFAA Cc1nn2cc(CCn3ccnc3-c3ccc4c(c3)OCO4)nc2s1 71758848 UISWQRJNLMZICW-UHFFFAOYSA-N 353.407 2.934 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)c1=O 77472601 HLCPGXCBJKULQJ-UHFFFAOYSA-N 364.449 2.943 0 50 FFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1c1ccccc1)CC2 332924127 XXCCWFWAPDWOJS-RDJZCZTQSA-N 353.470 2.502 0 50 FFAA COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@](C)(C(=O)O)C3)ccc21 237133784 MCHGIQCSSSCPEO-HXUWFJFHSA-N 358.438 2.841 0 50 FFAA COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@H]1CN1CCCC1 171745156 HWRYQAZASKSEEK-KRWDZBQOSA-N 365.905 2.525 0 50 FFAA Cc1cnc(C)c(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)n1 72418740 PDNNSSMGVOGOCD-UHFFFAOYSA-N 351.410 2.523 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cnn1Cc1ccccc1 237746515 QCJYBBVNZKBWPB-KRWDZBQOSA-N 355.438 2.957 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)NCc3cccc(C)c3)cnn2c1 71314961 RYOSVMJNMHWWLD-UHFFFAOYSA-N 351.454 2.810 0 50 FFAA CC(C)(C)c1cn(C[C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)nn1 48368522 MREBUWKPZKHEBQ-HNNXBMFYSA-N 366.469 2.776 0 50 FFAA O=C(NC[C@H]1CCCS1(=O)=O)Nc1ccc(COC2CCCC2)cc1 130789215 PIMJHUCUFNIKBX-QGZVFWFLSA-N 366.483 2.845 0 50 FFAA Cc1cc(NC(=O)Cn2nc(C)c(-c3ccc4c(c3)OCO4)c2C)n(C)n1 48212337 CDEXNPDJJSJAKE-UHFFFAOYSA-N 367.409 2.576 0 50 FFAA COCCN1CCN(C(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CC1 240333462 FDKBQXHQLNYLDK-KRWDZBQOSA-N 371.485 2.597 0 50 FFAA Cc1noc(C)c1CN1CCc2c(C(=O)NCc3ncc[nH]3)csc2C1 426691170 JHHRDNIYFBROQN-UHFFFAOYSA-N 371.466 2.564 0 50 FFAA CCc1ccc2occ(CC(=O)NCc3cc4n(n3)CCCNC4)c2c1 82108303 ADCZYZMUGVARGU-UHFFFAOYSA-N 352.438 2.544 0 50 FFAA CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cc(C)n[nH]1 82114373 IARMMUMAYDTHRQ-OAHLLOKOSA-N 370.453 2.775 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91830263 LBPPHQQPBOQMFP-PKOBYXMFSA-N 370.472 2.913 0 50 FFAA Cc1n[nH]cc1CN(C)C(=O)NCCN1CCC[C@H](c2ccccc2)C1 426440351 SAZZLMXKGINMIK-SFHVURJKSA-N 355.486 2.739 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1csc(N3CCCC3)n1)CO2 91487024 LFQSIZGEEQGUFI-AWEZNQCLSA-N 373.478 2.619 0 50 FFAA COc1cc(C)ccc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91691591 JRNOKWVRNNLPBP-MRXNPFEDSA-N 374.481 2.681 0 50 FFAA Cn1nnc2ccc(C(=O)NC[C@@]3(C)CCCN3Cc3ccccc3)cc21 162339332 WJTDZCYLSKRUFB-OAQYLSRUSA-N 363.465 2.753 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[C@@]1(O)C1CCOCC1 91966532 BHESINKIDQQBKI-VFNWGFHPSA-N 369.465 2.716 0 50 FFAA Cc1c(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)oc2ccccc12 95518482 RIYZCUJMZUJCTG-HNNXBMFYSA-N 363.417 2.801 0 50 FFAA COc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 91603400 ZLJYVDWCHFROST-ZWKOTPCHSA-N 369.465 2.923 0 50 FFAA COc1ccc(NC(=O)CCN2CC(N3CCCC[C@H]3C)C2)c(OC)c1 244602082 DXEAVBRTOJZCFU-OAHLLOKOSA-N 361.486 2.591 0 50 FFAA O=C(c1cccc(-c2nccnc2N2CCCC2)c1)N1CCc2n[nH]cc2C1 299767149 FYAWSUVDGNNPMN-UHFFFAOYSA-N 374.448 2.665 0 50 FFAA O=C(NCCN1CCCC1)Nc1ccccc1OCCc1ccccn1 299758912 LPHQNCCPMSRXMR-UHFFFAOYSA-N 354.454 2.920 0 50 FFAA CN1CCN(C(=O)Nc2cccc(OCc3ccccc3)c2)CCC1=O 299773226 AXPFPZYFALPKEJ-UHFFFAOYSA-N 353.422 2.962 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1c(C)nc(C)nc1O 299779416 RSSKHHGJLOGSJW-INIZCTEOSA-N 371.437 2.769 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)c1nc(N)nc2c1CCCC2 952966574 XEVHOEXQJYJZOD-UHFFFAOYSA-N 360.483 2.596 0 50 FFAA Cc1c(C(=O)Nc2ccccc2C[S@@](C)=O)cnn1-c1ccccn1 185930672 QJZJKJUCWXPUGO-RUZDIDTESA-N 354.435 2.707 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cnn1 276391946 RNEMEFBTOZYUPR-AWEZNQCLSA-N 367.384 2.994 0 50 FFAA COc1ccc([C@@H](C)NC(=O)[C@H]2COCCN2C2CCCC2)cc1F 188461677 BZTGRKOSMMELSI-CXAGYDPISA-N 350.434 2.655 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)NCC(=O)N1CCc2ccccc21 188738984 FPVYUUKUNUYAPV-UHFFFAOYSA-N 355.463 2.723 0 50 FFAA Cc1ccn(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)c(=O)c1 192455581 XOJWBWHXBHEXHZ-UHFFFAOYSA-N 356.813 2.943 0 50 FFAA CCc1ncnc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1F 193379809 ODTMGDADPINMPS-UHFFFAOYSA-N 374.445 2.612 0 50 FFAA O=S1(=O)CCCC[C@H]1CNc1nn2cc(-c3ccccc3)nc2s1 784177443 YJPGJQXGGQDYRW-ZDUSSCGKSA-N 362.480 2.837 0 50 FFAA COc1cc(CCC(=O)N(CCN(C)C)Cc2[nH]cnc2C)ccc1C 1704325872 VOVGWDJQPLMIPY-UHFFFAOYSA-N 358.486 2.558 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775980449 AXLZABWZXPDBBI-NRFANRHFSA-N 364.449 2.657 0 50 FFAA Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2nc(-c3ccccc3)cn12 11758019 DGIXQOUHXRNKNJ-UHFFFAOYSA-N 368.462 2.709 0 50 FFAA O=C(NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1[nH]nc2c1CCCC2 11963218 KWYJBWBWBJTLCD-OAHLLOKOSA-N 356.401 2.545 0 50 FFAA CCc1cc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)n(C)n1 12209660 MRYCCABWZGVHSB-FQEVSTJZSA-N 359.445 2.579 0 50 FFAA O=C(/C=C/c1ccncc1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12438773 ZXFMBLDGUGWBAQ-HNSSHINMSA-N 365.433 2.969 0 50 FFAA COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(C)CC3)C2=O)c1 14732583 LDYLKTSEWODQMG-UHFFFAOYSA-N 373.497 2.970 0 50 FFAA COc1ccccc1CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 14974923 ZVRDVMCWUGQLIJ-MRXNPFEDSA-N 372.852 2.808 0 50 FFAA COc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cc1 15062057 DIGWUADNARYNSW-NRFANRHFSA-N 356.466 2.950 0 50 FFAA Cc1nn(C)c(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)c1C 1857700738 GUNIIFZAFRMIBI-HZPDHXFCSA-N 363.502 2.598 0 50 FFAA O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857727517 VFRWCRXJGWMJBB-KNQAVFIVSA-N 362.429 2.917 0 50 FFAA Cn1cc(Cl)cc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857736987 YHAOICXNCRPBHA-SOLBZPMBSA-N 359.857 2.623 0 50 FFAA CCCc1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 5924979 ZFTCIAAKXUPVOF-IBGZPJMESA-N 355.482 2.596 0 50 FFAA O=C(NC1CCCCC1)NC1CCN(C(=O)Cc2ccc(O)cc2)CC1 133396977 FVHXXSOMFUOIQP-UHFFFAOYSA-N 359.470 2.558 0 50 FFAA CCc1oc(C(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1C(=O)O 261597498 AFIVQLWXFDZSAZ-UHFFFAOYSA-N 359.382 3.000 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2cnc3c(C)cccn23)C1 952888230 OZRXWRZFBBRKEN-QFBILLFUSA-N 352.438 2.706 0 50 FFAA O=C1N[C@@H]([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1c1cncc(Br)c1 1875291007 LFJLANWCCAIOJT-NGERZBJRSA-N 350.216 2.705 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCNC2)c2c(C)nn(C(C)(C)C)c2n1 1875277735 BSLSHQCCALDWGK-OAHLLOKOSA-N 357.502 2.875 0 50 FFAA COc1ccc([C@@H](O)CNC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 1875259858 UVBJFCBGXJWMMG-INIZCTEOSA-N 373.409 2.517 0 50 FFAA Cc1cn(C)nc1C(=O)N(C)Cc1cn(-c2ccc(C(C)C)cc2)nn1 1875353994 NHWHAJQOXFTKKY-UHFFFAOYSA-N 352.442 2.705 0 50 FFAA O=C(Cc1ccc2ccccc2c1)NC1(CNC(=O)c2ccncc2)CC1 1875338867 OIYLPTVOICGPAV-UHFFFAOYSA-N 359.429 2.856 0 50 FFAA Cn1cnnc1[C@H]1CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)C1 1875332133 GTMAMKDMIHNAQT-KRWDZBQOSA-N 372.432 2.988 0 50 FFAA CCn1cc(C(=O)NC[C@@H](O)c2cccc(C)c2)c(C2CCOCC2)n1 888075940 CCTCNJQOXCQNOO-GOSISDBHSA-N 357.454 2.569 0 50 FFAA CCC(CC)C1=NO[C@@H]2[C@@H](C(=O)OC)C[C@@H](NC(=O)OC(C)(C)C)[C@H]12 38986725 WYUYCGDXMIJIAZ-KYEXWDHISA-N 354.447 2.880 0 50 FFAA in-vitro CC(C)(C)n1cc(S(=O)(=O)Nc2cc(C(=O)O)c3cc[nH]c3c2)cn1 2325841048 BHHOUGRPVMMKMP-UHFFFAOYSA-N 362.411 2.618 0 50 FFAA CN1CCC2(CC1)CCN2c1ccc2nnc(-c3cccc(F)c3)n2n1 897133232 HXVSRYMMQCZHRB-UHFFFAOYSA-N 352.417 2.605 0 50 FFAA C[C@@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)c1ccc2c(c1)OCO2 116155007 DOYRLUWGSWLOOE-GFCCVEGCSA-N 363.373 2.657 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(N)cc1 694125 NZCMKFZNXMMLKN-UHFFFAOYSA-N 357.414 2.934 0 50 FFAA O=C(O)CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 711294 BWVXIKFLTDGBIN-HNNXBMFYSA-N 369.402 2.957 0 50 FFAA O=C(Cc1ccc(F)cc1)Oc1ccc(C(=S)N2CCOCC2)cc1 1137139 OVOHVRVIDLQING-UHFFFAOYSA-N 359.422 2.982 0 50 FFAA NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 1220696 YZLSYXOCNZSAOC-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc3sc(=N)[nH]c3c2)C1=O 2356136948 NHVKGHPVGLRQOP-IBGZPJMESA-N 372.494 2.716 0 50 FFAA COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1 2372992 AFYXJCAGXDHZIF-UHFFFAOYSA-N 353.378 2.788 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccnc1 2415372 QOEWRWLNGCHHMM-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA CCC[C@@H](C)c1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1 4436699 CAIDCDCQDVQVGS-LLVKDONJSA-N 353.469 2.854 0 50 FFAA COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)ccc1O 55310345 QQRHQPCRKTVAAO-INIZCTEOSA-N 360.454 2.588 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)cc2c1 55393686 HDULZBGQNYDFCR-IBGZPJMESA-N 364.401 2.983 0 50 FFAA O=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC[C@H](c2ccn[nH]2)C1 114905307 MKBYSFLDFIWACC-AWEZNQCLSA-N 373.432 2.797 0 50 FFAA Cc1cccc2[nH]c(CCNC(=O)c3cnc(-c4cccnc4)nc3)nc12 67982768 WQUDAIPDHKKSHX-UHFFFAOYSA-N 358.405 2.696 0 50 FFAA Cc1noc(C)c1NC(=O)c1ccc(CN(C)Cc2cnc(N)nc2)cc1 65425192 IXZLANHMVABKJT-UHFFFAOYSA-N 366.425 2.548 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)[C@H](c1ccc(C(=O)O)s1)CC(=O)N3 65417565 WUTUOMLDHVRENC-SNVBAGLBSA-N 372.402 2.666 0 50 FFAA Cn1ccnc1CN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C1CC1 65406548 QSJVFHFJVDEPIC-UHFFFAOYSA-N 361.755 2.631 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 248231840 ASFSRLMXUXZSRA-MAZHCROVSA-N 352.862 2.780 0 50 FFAA O=C([C@@H]1C=CCN1)N1CCC(c2cc(-c3ccccc3Cl)[nH]n2)CC1 67695597 YUDNJWBLWJUFBR-INIZCTEOSA-N 356.857 2.964 0 50 FFAA C[C@@H](C(=O)NCc1nc(Cc2ccccc2)no1)n1cnc2ccccc21 115989466 HXRWBSGCQVBNSB-AWEZNQCLSA-N 361.405 2.888 0 50 FFAA c1ccc(-c2cnn3cc(CN4CCN(c5ncccn5)CC4)cnc23)cc1 67847622 UZUCMEGPNCLXEB-UHFFFAOYSA-N 371.448 2.509 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1C 67850419 GNEROQQTHYDVAS-QGZVFWFLSA-N 360.841 2.869 0 50 FFAA C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3N3CCCC3)c(=O)[nH]c2C1 67630770 ARWOFMQBOJSHHW-ZDUSSCGKSA-N 365.433 2.992 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 229703899 RWESWTILJDMCSG-GQIGUUNPSA-N 353.470 2.980 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C2CCCC2)C1 230187412 MPWIYTCQMRQNBL-ZBFHGGJFSA-N 370.540 2.767 0 50 FFAA COc1cc(CN[C@@H]2CCO[C@@H](c3cncn3C)C2)c2c(c1)C[C@@H](C)O2 328641660 QRLSNVOGNPRCMA-VVFCZOMOSA-N 357.454 2.762 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)CC2)no1 328656731 ZPYMFURMJHEZQI-GOSISDBHSA-N 356.470 2.799 0 50 FFAA CSc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1 328603559 GNRGEKXIFVLYOB-AWEZNQCLSA-N 372.494 2.853 0 50 FFAA CCOc1ccc(CN2CCN(C(=O)CC[C@@H]3CCCCN3C)CC2)cc1 477692934 NPSBOEWZOMGHJV-FQEVSTJZSA-N 373.541 2.994 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)C4CCCC4)C3)CCC2=O)cn1 77455909 HVZXKZQVWAZLQH-NRFANRHFSA-N 370.497 2.706 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)c1C 72145323 DRGHBVQZFCFTQM-NRFANRHFSA-N 366.465 2.752 0 50 FFAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 280335889 PLZOFSDHXLEUKZ-LNLFQRSKSA-N 370.472 2.569 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(C)[C@H](CO)C1 72468468 OXKNVAYQOUBDEL-HNNXBMFYSA-N 369.387 2.777 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(C)nc(C)n3)C2)CCC1=O 77485588 KXFCFDZPIHYZSW-HXUWFJFHSA-N 358.486 2.738 0 50 FFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)on1 33270413 PWHOXMACZGGUQK-INIZCTEOSA-N 363.439 2.721 0 50 FFAA O=C(c1cc(=O)c2ccccc2o1)N1CCc2nc(-c3cccnc3)[nH]c2C1 216082457 YYAHGTPWBGIVBH-UHFFFAOYSA-N 372.384 2.777 0 50 FFAA CCCOc1ccc(CN2CCCN(CC(=O)N(C)C)CC2)cc1Cl 216382122 KDSCWBDZANMISF-UHFFFAOYSA-N 367.921 2.725 0 50 FFAA O=C(NCc1nncn1CCc1ccccc1)[C@H](O)c1ccc(Cl)cc1 219850426 UJCWYLGVMCPSHX-GOSISDBHSA-N 370.840 2.524 0 50 FFAA CCc1ncc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 72145855 DJCMXVGQOCRTRR-GOSISDBHSA-N 374.444 2.723 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 215139157 BNBULNYMSMXYST-HXUWFJFHSA-N 365.481 2.611 0 50 FFAA COc1ccc2cc([C@@H]3CN(c4cc(C(N)=O)ccn4)CCO3)ccc2c1 71403985 WVQKSGXWVHKJGL-IBGZPJMESA-N 363.417 2.920 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3)s2)CC1 77505474 TVKOLAQUFSLCEO-UHFFFAOYSA-N 350.509 2.929 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 237929577 IEPYCVGHRVHJDX-INIZCTEOSA-N 359.401 2.800 0 50 FFAA CCN1CCN(C(=O)/C=C\c2ccc(OC)c(Br)c2)CC1 13882209 CZRVKLMLIMSNJO-ALCCZGGFSA-N 353.260 2.635 0 50 FFAA COc1cc([C@H](C)NCCC2(O)CCC2)ccc1S(=O)(=O)C(F)F 284508614 YDRSEWZLRBDVBO-NSHDSACASA-N 363.426 2.647 0 50 FFAA Cc1ccc2[nH]c(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)c(C)c2c1 223424102 DYLOAUOEARNCLF-TYJKZOGGSA-N 352.438 2.760 0 50 FFAA O=C(c1cnn2ccccc12)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 82096617 LKSTUJQQUNIAIY-MRXNPFEDSA-N 360.377 2.757 0 50 FFAA CSc1ncccc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 223352437 STISWTLDGSVPSN-UHFFFAOYSA-N 353.491 2.729 0 50 FFAA Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)s1 85532947 NVRMQIKZYFMMRV-UHFFFAOYSA-N 372.494 2.715 0 50 FFAA CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CCn2cccn2)N(C)C)cc1 287839442 BITFUYREMWFEAC-LJQANCHMSA-N 373.501 2.615 0 50 FFAA CCN(Cc1nccn1C)C(=O)NCC1(c2ccccc2)CCOCC1 426381447 MBUJIAZJCCHMPW-UHFFFAOYSA-N 356.470 2.700 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccccc3Cl)C2)CN1CCCO 82115720 YTECSDZSZUAUJO-LJQANCHMSA-N 350.890 2.927 0 50 FFAA CCCOC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)CCCCC1 177394401 SWDQGBDMOWRUSL-SFHVURJKSA-N 373.497 2.932 0 50 FFAA Cc1ccc(C(=O)NC2CCN(C3CCCC3)CC2)cc1S(C)(=O)=O 177409092 XKSJIHNWULWHGA-UHFFFAOYSA-N 364.511 2.535 0 50 FFAA Cc1cc(C)nc(CNC(=O)c2cccc(-c3ccc(N(C)C)nn3)c2)n1 426488132 FUBRCCBZOIEKTD-UHFFFAOYSA-N 362.437 2.546 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@@H]1CCn1cccn1 95353231 SZDCMQQSFHRQAP-GOSISDBHSA-N 362.437 2.820 0 50 FFAA Cc1ccc(C(=O)CCCN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1 230194889 XDGOSNYIWFDHOY-JOCHJYFZSA-N 371.525 2.586 0 50 FFAA O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(c2cccnc2)CC1 95358842 PODOLOYYKMPJFW-UHFFFAOYSA-N 355.825 2.860 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cccnc2SC)C1 92020524 UHHNYRRWLOLKIY-AWEZNQCLSA-N 360.483 2.666 0 50 FFAA CSc1ccc([C@@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)cc1 95353688 DKRQXYXBNITHMG-KRWDZBQOSA-N 374.462 2.975 0 50 FFAA CN1CCN(C)[C@H](CC(=O)NCCCSCc2ccccc2Cl)C1 97610244 XZBSVYLIWLOWDF-MRXNPFEDSA-N 369.962 2.715 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)cc1 239433554 XZESUBFBZKJUNK-RNQOJCNYSA-N 374.396 2.604 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)CCc3cnn(C)c3)CC2=O)cc1 91689911 NHMSJNNFZVULAI-GOSISDBHSA-N 368.481 2.598 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1sc(C)nc1C)CC2 95498355 WTDZVPGCUKGKKT-UHFFFAOYSA-N 373.526 2.883 0 50 FFAA Cc1ccsc1CN(CCO)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95380028 VPWUPVHCTXHWQB-QGZVFWFLSA-N 350.459 2.819 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCCCCC2=O)c1 95500370 BXKYMGQJOMFVNM-IBGZPJMESA-N 358.482 2.905 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCC[C@](CO)(CC3CC3)C2)CC1 91807181 VXJUMLZHEZCVGY-NRFANRHFSA-N 357.498 2.561 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N1CCN[C@@H](c2ccccc2)C1 95529370 SXPRYJGAVUZART-GOSISDBHSA-N 368.437 2.832 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCc2ccncc2)C3)cc1 96141352 MCSBPBKQUZPDKR-UHFFFAOYSA-N 362.433 2.998 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1c[nH]nc1C1CCCCC1 92019453 LOJAVZWHSCCNIA-UHFFFAOYSA-N 360.502 2.832 0 50 FFAA COc1ccccc1OC1CN(CCN2CCN(c3ccccc3)CC2)C1 244594043 DFMQUUQZFQBOKF-UHFFFAOYSA-N 367.493 2.580 0 50 FFAA O=S(=O)(NCc1ccn(C2CCCC2)n1)c1ccc(C(F)(F)F)nc1 182141254 XNNCDDWWINWDQX-UHFFFAOYSA-N 374.388 2.891 0 50 FFAA Cc1ccc2cc(CN3CCC[C@H]3C)c(N3CCN(CCO)CC3)nc2c1 252479825 BNHLQGHDLDQBSL-GOSISDBHSA-N 368.525 2.642 0 50 FFAA CCc1ccccc1NC(=O)CCN1CCN(c2nc(C)cnc2C)CC1 252489269 JNHSCNIFDJHYLH-UHFFFAOYSA-N 367.497 2.807 0 50 FFAA CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)c1cnc2c(cnn2C)c1OC 183302566 OYVXZLTUUOSYSO-XZJROXQQSA-N 360.458 2.546 0 50 FFAA Cn1cc(CN(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C2CC2)cn1 534671732 ZFBOGQMDHCKPSQ-UHFFFAOYSA-N 370.432 2.742 0 50 FFAA O=C(NCc1ccc(CN2CCCC2)cc1)N[C@@H](CO)c1ccc(F)cc1 265325050 VXKFPGDBHHQAND-FQEVSTJZSA-N 371.456 2.954 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)CC1CCN(Cc2ccccc2)CC1 299779572 ADGZPUGNUOSEFC-UHFFFAOYSA-N 374.525 2.536 0 50 FFAA Cc1nn(CC(=O)N[C@H](C)c2nncn2C2CCCC2)c(C)c1Cl 299757061 LUQDQLUGOMZKJD-LLVKDONJSA-N 350.854 2.737 0 50 FFAA CCn1c(CNC(=O)[C@H]2CC(=O)OC23CCCCC3)nc2ccccc21 299787225 SDOUZFQXKMOCCT-CQSZACIVSA-N 355.438 2.938 0 50 FFAA CCc1nc(CCNC(=O)N2CCC[C@@H](COc3ccccc3C)C2)no1 584901449 BNBBATNWFQLQDD-MRXNPFEDSA-N 372.469 2.984 0 50 FFAA COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1F 1565507422 WOEJSYJUYAVJIE-WMZOPIPTSA-N 359.397 2.938 0 50 FFAA CC(C)(C)C1CCC(CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 164683860 IVXANSDJLRTDCA-UHFFFAOYSA-N 374.547 2.512 0 50 FFAA CO[C@@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 269932609 LQGZGHWXPOBBSP-OAQYLSRUSA-N 367.493 2.935 0 50 FFAA COC(=O)C[C@](C)(NC(=O)c1coc(Br)c1)c1ccccn1 170600768 OIIBWPJZQWZGRW-HNNXBMFYSA-N 367.199 2.645 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1C[C@]12CCCc1ccccc12 170644197 AYCIHESYUKHPHY-BEFAXECRSA-N 354.479 2.812 0 50 FFAA CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)O)c1 170672173 OXJDSSVUJVMFHX-KRWDZBQOSA-N 372.396 2.990 0 50 FFAA O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1nc2cccnc2s1 193887187 WMXPSJPSWRIYDX-HNNXBMFYSA-N 366.446 2.785 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccn(CC(F)F)n1 194181367 FZEDQGJUBHQHDB-OAHLLOKOSA-N 362.424 2.885 0 50 FFAA Cc1cc(OC[C@@H](O)CNc2ncc(C)c(N(C)C)n2)ccc1Cl 1529113700 HVKYHWMKJVLNMQ-ZDUSSCGKSA-N 350.850 2.665 0 50 FFAA O[C@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccncc1 1529173855 QORYBYJAMNQDSI-QUCCMNQESA-N 357.523 2.774 0 50 FFAA O=C(CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1)NC1CCCCC1 1704338151 NIXSQJBMUGCSHT-DYESRHJHSA-N 367.493 2.519 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H](C)n1cncn1 12308274 HZTXNLXSLWZPFP-HNNXBMFYSA-N 351.410 2.960 0 50 FFAA C[C@@H](O)CCN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 12314054 GRJVFOGRDMYJBA-QGZVFWFLSA-N 360.498 2.927 0 50 FFAA C/C(Cl)=C/Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 13471231 XXTPJXYYTPGKMM-WQLSENKSSA-N 373.844 2.628 0 50 FFAA C[C@H](Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1)C1CC1 15078216 SUSSTINVZVEOSD-HNNXBMFYSA-N 370.497 2.767 0 50 FFAA Cc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1 17945701 RRFDDPLCCVYHPB-UHFFFAOYSA-N 367.430 2.977 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)CCn1cnc3ccccc31)C2 1857671051 NJFREGZATPAWRA-MRXNPFEDSA-N 365.433 2.755 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857715376 OUBUZAXMWNFZOU-FGTMMUONSA-N 369.465 2.878 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCCc3cn[nH]c3)CC2)O1 1857728657 KZWUDTPLCVRCMM-IAGOWNOFSA-N 363.502 2.680 0 50 FFAA CC(C)n1cncc1CN1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857733312 DURRTWIEPCPPIO-SBHAEUEKSA-N 366.465 2.738 0 50 FFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1CCOCC1 238125899 JHLCKOBCOCIXHZ-UHFFFAOYSA-N 359.344 2.935 0 50 FFAA COc1ccc(C2(C(=O)NC[C@]3(O)CCO[C@@H]3C)CC3(CCC3)C2)cc1 367675893 QVZFFDOAKGBIKC-QVKFZJNVSA-N 359.466 2.553 0 50 FFAA C[C@H](C(=O)N1Cc2cc(C(=O)O)nn2C[C@H]1C)c1cn(C)c2ccccc12 908440577 UWJBCCGSNFFWRC-OLZOCXBDSA-N 366.421 2.607 0 50 FFAA Cn1nccc1[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccnc1 1875342484 UBUAEMIDJDLTAT-LJQANCHMSA-N 358.405 2.725 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1OC 1875385790 BLNVZNSWDIMCFE-MSOLQXFVSA-N 368.408 2.634 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnccc1Oc1ccccc1 886999178 MHTKOPCVOWDGPL-QZTJIDSGSA-N 354.406 2.534 0 50 FFAA Cn1nc(C2CC2)nc1CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 2325766875 YWNRVSNWWJPDBI-UHFFFAOYSA-N 362.437 2.686 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cnn3c2CCC[C@H]3C)C1 2325792811 NWSYGLHCVVJILP-IUODEOHRSA-N 358.442 2.817 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CNC4(CCOCC4)C3)cc2)c1C 2325795328 AAUAZZNOCBCZKR-MRXNPFEDSA-N 354.454 2.586 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC(F)(F)[C@]3(CCOC3)C2)c1 2325885788 VJAOSZPSQDAORU-QGZVFWFLSA-N 350.365 2.699 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 1144419 NVDLVJDVAMDHNY-UHFFFAOYSA-N 360.797 2.885 0 50 FFAA CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2cc(Cl)ccc21 2884807 MPZHNUVOJZHDSB-IBGZPJMESA-N 373.792 2.548 0 50 FFAA CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)CC1 101888291 MUOAMTUYGRKATG-ILRDRHFLSA-N 364.445 2.870 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(C)[C@H](C)c3ccncn3)n2)cc1 55343689 WESWYVZJYDMAIS-GFCCVEGCSA-N 353.382 2.506 0 50 FFAA C[C@](O)(CNC(=O)c1ccccc1-n1cccn1)c1ccc(F)cc1F 114553112 PXBGWBUQGFVONV-IBGZPJMESA-N 357.360 2.788 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H]1C=CCN1)CCO2 67833765 GPOBSKVNBPUKHI-GOSISDBHSA-N 350.418 2.617 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@@H]3c1cccc2c1OCO2 65489308 QTBGRDKBTFYKDB-GFCCVEGCSA-N 366.373 2.635 0 50 FFAA CCC1(CC)[C@H](NC(=O)c2cnc3c(cnn3C)c2OC)[C@@H](C)[C@H]1OC 248374253 OYVXZLTUUOSYSO-HFBAOOFYSA-N 360.458 2.546 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67562480 BXIVDAGQLBHOPM-AWEZNQCLSA-N 359.253 2.762 0 50 FFAA C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1-c1cccn1-c1ncccn1 65403247 HHNZOPLCYWEASY-CQSZACIVSA-N 358.405 2.844 0 50 FFAA CC(C)n1ccnc1CN1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67688328 HMMRQOKSGAJRKJ-INIZCTEOSA-N 366.469 2.718 0 50 FFAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(CCn1cncn1)C2 67894563 SLGLQYJCCYINCN-UHFFFAOYSA-N 371.828 2.594 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cnc(C(C)C)nc3C)CC2)nc1 67514420 NVRKJIAQWZDZEV-UHFFFAOYSA-N 354.454 2.736 0 50 FFAA O=C1C[C@@H](c2cc(F)ccc2-n2cccn2)c2c(nc3sccn23)CN1 65406844 FFDASPTVEMKIKH-ZDUSSCGKSA-N 367.409 2.872 0 50 FFAA C[C@H](c1cccc(CN2CCC(CO)(CN3CCCC3)CC2)c1)N(C)C 219540562 SDBAGASPZAEPFY-LJQANCHMSA-N 359.558 2.980 0 50 FFAA COCCN1CC[C@H](CNc2cc(-c3ccccc3)nc3ccnn23)C1 72420979 WIFZETRVKHLDDN-MRXNPFEDSA-N 351.454 2.777 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@@H](C)c2ccccn2)n1C 328628528 NULLQZYRDOFGLK-KBXCAEBGSA-N 354.454 2.985 0 50 FFAA COCc1cc(N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)n2ncnc2n1 253427255 ONBZWNAHBCAKBM-DLBZAZTESA-N 367.453 2.953 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2ccc(CSc3ccccc3)o2)C[C@H]1O 72457839 LFYMFPPWCSXXMJ-IEBWSBKVSA-N 361.463 2.920 0 50 FFAA CC[C@@H]1CN(C(=O)c2cc(C)nn2CC)CCC(=O)N1Cc1ccccc1 71759166 XIUQBVPGGJZVRY-GOSISDBHSA-N 368.481 2.865 0 50 FFAA Cc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)cc1O 72153045 YQCRPIFEFZYRBX-UHFFFAOYSA-N 361.401 2.649 0 50 FFAA O=C(C[C@@H]1COCCN1)Nc1ccc(SCCc2ccccn2)cc1 72134386 WDLMYZWPGNEYTJ-QGZVFWFLSA-N 357.479 2.733 0 50 FFAA COc1ccc(N2CCN(Cc3snnc3C(C)C)[C@@H](C)C2=O)cc1 77437851 UTCADITXUWCLBV-ZDUSSCGKSA-N 360.483 2.907 0 50 FFAA CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1C 154908817 KVJGYZAQZXLEGL-UHFFFAOYSA-N 370.453 2.954 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 14423502 UTKBGVTWAPEKHZ-IAGOWNOFSA-N 354.450 2.840 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](OCc2cccnc2)C1 77437288 SNFCUPAXYRNVIN-MRXNPFEDSA-N 363.417 2.745 0 50 FFAA O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCC(Oc2ccc(F)cc2)CC1 369658559 YCGLSKHHPXZUOW-CYBMUJFWSA-N 359.401 2.736 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(C)c2)C[C@H]1C(C)C 77354966 YFGBXSXSUDCAFK-ZWKOTPCHSA-N 354.454 2.618 0 50 FFAA CC(C)Cc1ccc(CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)cc1 39421434 KIGNOTOFDGJEOI-HSZRJFAPSA-N 373.585 2.848 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NC[C@@]2(O)CCCNCC2)cc1 72164525 SOEQETQMYVFWLF-OAQYLSRUSA-N 354.450 2.597 0 50 FFAA Cn1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)c(-c2cccs2)n1 333237336 DGHCLJRRJSGXRG-YJBOKZPZSA-N 374.510 2.507 0 50 FFAA CN(C)C(=O)c1ccnc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c1 333351259 FLIJSCUJHLCFNP-KRWDZBQOSA-N 372.469 2.596 0 50 FFAA O=C(c1cccc(-n2cncn2)c1)N1CC[C@@]2(CCc3ccccc3O2)C1 378018380 NOLFXVWCNQMMMJ-NRFANRHFSA-N 360.417 2.877 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 237634822 IRDAJTAXLNNSLZ-WCBMZHEXSA-N 356.797 2.859 0 50 FFAA OCc1ccc(O[C@@H]2CCOC[C@H]2Nc2ncnc3ccccc23)cc1 222947268 NPXFWVIOCMHAHX-RTBURBONSA-N 351.406 2.771 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)C(c1ccccc1)c1ccccc1 82087340 IXGIWFRJHDNLIR-UHFFFAOYSA-N 360.461 2.825 0 50 FFAA O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccc(O)nc2)c2ccccc21 175438770 QNWVUYRJLVCBMB-OAHLLOKOSA-N 351.406 2.544 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1CN1CCCC1 426525837 HMJRQMAPXYMORV-INIZCTEOSA-N 365.905 2.768 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 175887929 OOVBQDVDIBXDIT-RDJZCZTQSA-N 357.433 2.835 0 50 FFAA CC[C@@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)Oc1ccccc1C 176902036 KGEVKGPOHSBPIM-SFHVURJKSA-N 361.486 2.805 0 50 FFAA CCOC(=O)c1ccc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc1 82137643 QPFJEODMKKEUCG-UHFFFAOYSA-N 366.421 2.662 0 50 FFAA CC(C)N1CCCC[C@@H]1CCNC(=O)N(CCO)Cc1ccc(F)cc1 426589921 DNQMWCXWOBTUIO-LJQANCHMSA-N 365.493 2.983 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCN(Cc1cnn(-c3ccccc3OC)c1)C2 222952814 VRJFOKBYXWJJSZ-IBGZPJMESA-N 367.453 2.537 0 50 FFAA CSc1ncccc1C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82120009 QSMQVFMIHSAYPO-UHFFFAOYSA-N 361.854 2.946 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1ccccn1)CC2 426691134 DWJGPIFZHSAADT-OXFYSEKESA-N 353.422 2.708 0 50 FFAA CC[C@H](COC)NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 426477404 NXHGTERWSDOXAT-MRXNPFEDSA-N 373.419 2.958 0 50 FFAA Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2cccs2)n1 20602082 OOIFBRNABGYCKR-UHFFFAOYSA-N 361.492 2.915 0 50 FFAA O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCCC1 91656902 MXDSHLRERIZLTO-UHFFFAOYSA-N 352.221 2.904 0 50 FFAA O=C(NCCc1nc2ccccc2[nH]1)C1CCN(Cc2ccco2)CC1 95367260 USCGEXVUPHKEDN-UHFFFAOYSA-N 352.438 2.727 0 50 FFAA Cc1ccccc1-n1nc(Cc2cccs2)nc1CCn1nnnc1C 96154014 JWCLYUHBYAZMMI-UHFFFAOYSA-N 365.466 2.766 0 50 FFAA CNC(=O)[C@H]1CCN(C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 95523597 SVMQSTGHJVPMMV-AWEZNQCLSA-N 367.380 2.842 0 50 FFAA CCn1nc(C)c(CN2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)c1C 91964520 VYPCZTWKNRRXDT-RBUKOAKNSA-N 357.454 2.829 0 50 FFAA Cc1cc(N2CCN(c3nccs3)CC2)nc(-c2ccccc2O)n1 91713867 VNKZNGLTVJJGBJ-UHFFFAOYSA-N 353.451 2.941 0 50 FFAA CC(C)Cc1cc(CNC(=O)Nc2cccc(NS(C)(=O)=O)c2)on1 96136727 NONNNPVJSDQIEW-UHFFFAOYSA-N 366.443 2.566 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 95528160 NCCNAWUOTOBJPN-KRWDZBQOSA-N 356.470 2.560 0 50 FFAA Oc1cc([C@H]2C[C@@H](NC3Cc4ccccc4C3)C2)nc(N2CCCC2)n1 253535340 UIJSEFIVGJCPFV-MAEOIBBWSA-N 350.466 2.785 0 50 FFAA C[C@@]12C(=O)O[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC(=O)[C@]5(C)[C@H]1[C@@H]32 253596355 QKTJEGVAGWMOHM-GSXKDEIPSA-N 354.446 2.654 0 50 FFAA COC(=O)c1ccc2c(c1)N(C(C)=O)C(=O)/C2=C(/OC)c1ccccc1 95079958 IAELOHNWFVWCNO-ISLYRVAYSA-N 351.358 2.881 0 50 FFAA in-vitro CCn1c(C)cc(C)c(C(=O)NCc2nncn2C2CCCCC2)c1=O 299782494 SYOPZYOZPXYRON-UHFFFAOYSA-N 357.458 2.512 0 50 FFAA CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 299786533 MXINUORRUYXYHL-QGZVFWFLSA-N 360.458 2.981 0 50 FFAA Cc1cc(F)cc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1 1940198202 UNULQGOUXIZTKJ-WIYYLYMNSA-N 371.408 2.655 0 50 FFAA Cc1ccc(-c2nc(CN3CCC(O)(c4ccccn4)CC3)no2)cc1 670449468 KOEJGIRFINZIFL-UHFFFAOYSA-N 350.422 2.924 0 50 FFAA COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cc(C)c(Cl)s1)CC2 277011844 YCHXFBNIJSXEGK-SNVBAGLBSA-N 363.888 2.674 0 50 FFAA COc1c(F)cc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1F 170611941 XGAZNQFSPFYERS-HNNXBMFYSA-N 368.424 2.577 0 50 FFAA O=C(Cc1cnc2ccccc2c1)N1CCN(c2cccs2)C(=O)C1 190780716 LKTFWGCYBSSZPZ-UHFFFAOYSA-N 351.431 2.714 0 50 FFAA COc1ccc(Cl)cc1CN(C)c1nccc(N2CCC[C@H](O)C2)n1 1529101831 NQIPYSFFSGOPNR-HNNXBMFYSA-N 362.861 2.736 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772703437 NEQJNYPSCXRBOU-SZNDQCEHSA-N 366.417 2.676 0 50 FFAA O=C(CCC1CCN(C(=O)Cc2c(F)cccc2F)CC1)NC1CC1 11814511 SGYIWGHHFNNVCM-UHFFFAOYSA-N 350.409 2.805 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)cc3Cl)C2)CC1 12438886 WIZSFDJQZNPZSB-CQSZACIVSA-N 353.869 2.768 0 50 FFAA COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(C)o3)CCC2=O)cc1 12706960 OJIPPKNGHVXDLN-QGZVFWFLSA-N 370.449 2.694 0 50 FFAA CC[C@H]1CN(C(=O)c2ccc(N3CCSCC3)nc2)CCN1C(C)C 12707760 YZCBXSOKXFIEKM-KRWDZBQOSA-N 362.543 2.580 0 50 FFAA O=C1NC(=O)/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)N1 13544862 DMBRLVRHQXWDMG-RIYZIHGNSA-N 372.764 2.798 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2CCCN(Cc3ccncc3)C2)cc1 15072806 ATKAHYYAWUDIMT-LJQANCHMSA-N 353.466 2.661 0 50 FFAA COc1ccc([C@@H]2CC(=O)c3cn4nc(SC)nc4nc3C2)c(OC)c1 19816898 SKJGJVBXMJSGOZ-JTQLQIEISA-N 370.434 2.776 0 50 FFAA COc1cccc(C(=O)N2CCC3(CC2)NC(c2ccc(C)cc2)=NO3)c1 169754998 CHNIZOMOHHFMRY-UHFFFAOYSA-N 365.433 2.918 0 50 FFAA COc1ccc(N2CCN(c3nnc(-c4ccccc4)s3)CC2)cn1 1857677366 YNSUDZXKUJJCCU-UHFFFAOYSA-N 353.451 2.935 0 50 FFAA N=c1[nH]c2cc(C(=O)NCc3nncn3C3CCCCC3)ccc2s1 1857715039 YNRLZVQTDBTJJZ-UHFFFAOYSA-N 356.455 2.736 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@@H](c2cc[nH]n2)C1 1857731543 UUQIPBAWURZDNK-LLVKDONJSA-N 354.439 2.515 0 50 FFAA CCn1ccnc1CN(C(=O)c1oc(C)cc1C)[C@H]1CC12CCNCC2 328627869 GRIANQONVLJXAE-INIZCTEOSA-N 356.470 2.897 0 50 FFAA CCCNC(=O)[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 241942326 ULPBVGQYEYPYAF-AWEZNQCLSA-N 362.424 2.889 0 50 FFAA O=C(c1ccc2ncccc2c1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247434725 VNLHHFQAQXSOBL-JTSKRJEESA-N 374.396 2.938 0 50 FFAA O=C(OC[C@H]1CCCN1)c1cccc(NC(=O)c2cc3cccnc3[nH]2)c1 1875294551 IPZBNJJAHUELJX-MRXNPFEDSA-N 364.405 2.724 0 50 FFAA C[C@H]1CN(C(=O)c2ncsc2Nc2ccccc2)C[C@H](CC(=O)O)O1 1875312067 HBPDLEKEPDGMKR-AAEUAGOBSA-N 361.423 2.591 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)C1 1875374295 JGBYKQBWNZMIFW-RYQLBKOJSA-N 356.466 2.824 0 50 FFAA O=C(c1ccc(=O)n(CC(F)(F)F)c1)N1CCCCC[C@@H]1c1ncon1 1875317161 QBHPOWIHRAVAGG-GFCCVEGCSA-N 370.331 2.551 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3ncc(Cl)cc3Cl)C2)n1 886080002 PHZMHFVIMYBLIQ-HNNXBMFYSA-N 357.241 2.649 0 50 FFAA C[C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C[C@H](c2ccccc2)O1 895876286 PMNKHHVFBBQXJO-MDASCCDHSA-N 354.454 2.779 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)oc2c(F)cccc12 898237302 IKKBHNQGQFTQBV-SNVBAGLBSA-N 357.341 2.711 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 800611 MHQHXQFQPPBAGK-CQSZACIVSA-N 367.405 2.645 0 50 FFAA O=C(N[C@H]1CCNc2ncccc21)[C@H]1[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 2325799587 JWHYOEBMJVRWRE-KVPLUYHFSA-N 362.477 2.823 0 50 FFAA CN(c1ccccc1)c1cc(N2CCN(c3ccc(O)nc3)CC2)ncn1 2325802625 QSTRENGCQMBSCG-UHFFFAOYSA-N 362.437 2.672 0 50 FFAA CC[C@]1(F)CCN(c2nnnn2CCc2ccc(OC(F)F)cc2)C1 2325860919 ZAOSIUAZMQNBFH-INIZCTEOSA-N 355.364 2.846 0 50 FFAA O=C1CCc2ccc(C(=O)NCc3cccc(-c4ccccn4)n3)cc2N1 2325866805 AIKUWLCZDKMYDR-UHFFFAOYSA-N 358.401 2.958 0 50 FFAA CCCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325866872 CNIFEJOSFWBNHE-KGLIPLIRSA-N 358.442 2.940 0 50 FFAA Cc1ccoc1-c1nc([C@H](O)Cn2cncn2)n([C@@H]2CCC(C)(C)C2)n1 2325876148 LOULBQCRIMZGNL-ZIAGYGMSSA-N 356.430 2.923 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)c(Cl)c1 1072636 HSUYKASDNIXIIU-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)OCO3)c1 1118186 LBESEAJDCNHUMQ-UHFFFAOYSA-N 372.333 2.633 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 1146788 OXCNZWFCKDGGRX-SFHVURJKSA-N 358.825 2.829 0 50 FFAA COc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 1150088 WXAAMQWGWWWLKP-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CC(C)(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 2905074 QOSNNYUNIVVPEX-UHFFFAOYSA-N 360.479 2.792 0 50 FFAA CCCCCc1nc(-c2ccc3cc[nH]c3n2)n([C@H]2CCS(=O)(=O)C2)n1 2356166141 PKMABZGFSQUKOM-AWEZNQCLSA-N 373.482 2.914 0 50 FFAA COC(=O)c1ccc(OC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 4043314 YDUGWNHWWKVTCC-UHFFFAOYSA-N 371.776 2.871 0 50 FFAA O=C(CSc1nnc(-c2ccncc2)o1)c1ccc2c(c1)OCCO2 4134983 ICIGPLYZFJJTKD-UHFFFAOYSA-N 355.375 2.878 0 50 FFAA Cn1nc(CC(=O)Nc2cccc(Br)c2)c2ccccc2c1=O 4858312 QMNGSKABIHJDQX-UHFFFAOYSA-N 372.222 2.877 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2Cc3ccccc3C2)C1=O 132864228 HALBNZAYPQGNRG-INIZCTEOSA-N 351.406 2.526 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 55357790 KNPHZDHBQBIDJT-HNNXBMFYSA-N 364.804 2.989 0 50 FFAA O=C(NCc1ccc(Cl)cc1)c1c(O)c2cccc3c2n(c1=O)CC3 100621227 MYNNLRZPNHJOKP-UHFFFAOYSA-N 354.793 2.847 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)CC1=CSC3=NCCCN13)CC2 101906084 QJTWRVFSYOIZRU-UHFFFAOYSA-N 357.479 2.662 0 50 FFAA CN(C)c1ccc(NS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cn1 225753165 YWLPNAKJQXGXIF-UHFFFAOYSA-N 365.842 2.731 0 50 FFAA O=C1C[C@H](Cn2c(=O)oc3ccccc32)c2cnn(-c3ccccc3)c2N1 65371408 GSVPUAAVJWMCKW-CYBMUJFWSA-N 360.373 2.906 0 50 FFAA COc1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2cccc(F)c2)cn1 65397253 ZNFUWTZJQUVHTL-OAHLLOKOSA-N 352.369 2.948 0 50 FFAA COCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc3cc(C)ccc3[nH]2)C1 23379881 NBPZKKPGFULADX-BEFAXECRSA-N 369.465 2.576 0 50 FFAA CC[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 65362531 FVTDSRIQMWHXFZ-SJORKVTESA-N 352.500 2.542 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 229687894 CRXJZOMHCBQMMP-JFIYKMOQSA-N 355.482 2.811 0 50 FFAA CCNC(=O)[C@@H]1CCCN1Cc1cccc(OCCN2CCCCC2)c1 219210198 MHMYXDQEIUBYMK-FQEVSTJZSA-N 359.514 2.652 0 50 FFAA O=C(O)Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1 121160335 KVTWAHKFEBEYMG-UHFFFAOYSA-N 360.313 2.528 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)CO[C@H]2CCC[C@@H](C)C2)o1 328613682 TULXHJKFUAXPFF-QLFBSQMISA-N 351.447 2.688 0 50 FFAA Cn1c(=O)n(C)c2cc(CNc3nccc(CCC(F)(F)F)n3)ccc21 71764055 UBQSBHPCXHZNRA-UHFFFAOYSA-N 365.359 2.774 0 50 FFAA CN(Cc1ccccc1)c1ncnc2c1CCN(C(=O)C1CCC1)CC2 72411704 RJZBVPLBDKXDLT-UHFFFAOYSA-N 350.466 2.840 0 50 FFAA CN(C)C(=O)CN1CCCN(Cc2ccccc2OC2CCCC2)CC1 129349037 JMFKMMZKJWHFIV-UHFFFAOYSA-N 359.514 2.604 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1C[C@@H]1c1c(F)cccc1F 363539766 OQNCFHORAUTQAD-UONOGXRCSA-N 354.360 2.965 0 50 FFAA O=C1C[C@@H](NC(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2N1 77505927 CTVSNWXEZFVXMV-MRXNPFEDSA-N 362.389 2.869 0 50 FFAA CCc1nc(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cs1 488953443 VBASIRVFVDYCOL-JTQLQIEISA-N 351.394 2.957 0 50 FFAA CS(=O)(=O)c1cnc(-c2ccc(Cl)cc2)nc1[C@H]1CCCNC1 71760743 BSZRZQHLKJMISY-LBPRGKRZSA-N 351.859 2.668 0 50 FFAA CN(C(=O)c1ccc(Cl)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 281025180 OSBHATZXJZKLDK-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 32682663 MYOFMKXCHBHBBE-UHFFFAOYSA-N 354.454 2.625 0 50 FFAA COC[C@@H]1CCCN1Cc1ccc(OCC(=O)N2CCC(C)CC2)cc1 215133094 IQWHFBMUCHWQMC-IBGZPJMESA-N 360.498 2.935 0 50 FFAA CS(=O)(=O)C1(C(=O)N2CCC[C@@]3(CCCCc4ccccc43)C2)CC1 372955302 WDSGATCWMTUISR-IBGZPJMESA-N 361.507 2.850 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccon2)CCC(=O)N1Cc1ccc(F)cc1 71712002 USBNHHCOYYDQKQ-QGZVFWFLSA-N 359.401 2.713 0 50 FFAA CN(C(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C1(C(N)=O)CCCC1 378497843 RTLKDFWUEDOUHR-INIZCTEOSA-N 372.513 2.750 0 50 FFAA COc1ccc(F)c(C(=O)NC2CCN(Cc3ccccn3)CC2)c1OC 242183921 XDAMMNWCNUSTPC-UHFFFAOYSA-N 373.428 2.632 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(-c2cccc(OC)c2)no1 223821496 MNIDPOKSEUJSCZ-QGZVFWFLSA-N 373.409 2.587 0 50 FFAA CN(C(=O)C1(NC(N)=O)CC1)c1nc2c(s1)C[C@H](c1ccccc1)CC2 132162654 VDZUKEIDCLXXLC-CYBMUJFWSA-N 370.478 2.579 0 50 FFAA CNc1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cn1 285248235 AISQSJSULJMRNO-CYBMUJFWSA-N 362.474 2.889 0 50 FFAA O=C1CCCN1c1ccc(CNC(=O)C2(N3CCCC3)CCCC2)cc1 222998808 UEHCLSXLFQMJPX-UHFFFAOYSA-N 355.482 2.838 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)n[nH]3)cc2)CC1 175796854 BFVKUUQIECMNTA-YOEHRIQHSA-N 353.470 2.927 0 50 FFAA CC(C)c1cncnc1NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82137670 JUGLCRZBEZFNAA-UHFFFAOYSA-N 368.485 2.941 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1)C2 82087134 KQMNOVZKEPVSBC-SJBKTWHCSA-N 372.509 2.666 0 50 FFAA CC(C)(CNC(=O)c1cccc(-c2ccccc2CO)c1)N1CCOCC1 426372225 LKMPRTYTNBFAOS-UHFFFAOYSA-N 368.477 2.687 0 50 FFAA COCCN(C(=O)c1ccc(-c2ccc(OC)c(C(N)=O)c2)cc1)C(C)C 426477416 OSVJMKXTTIVFFL-UHFFFAOYSA-N 370.449 2.958 0 50 FFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 20602002 WERZSMPIYXBGNG-GOSISDBHSA-N 353.378 2.785 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc2c1OCO2 194594993 TUCHBYGKCXERFZ-GOSISDBHSA-N 364.401 2.996 0 50 FFAA CC[C@H](NC(=O)c1cccc2nccnc12)c1ccc(S(C)(=O)=O)cc1 97259372 LZGLEVIDNAHVRG-INIZCTEOSA-N 369.446 2.914 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 91441355 YMQMQUQSCJAHTJ-ZDUSSCGKSA-N 363.845 2.908 0 50 FFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)cc3)N2C1=S 22204793 VGOUBOHLRURATQ-AEFFLSMTSA-N 363.442 2.947 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)c1cc(-c2ccc(O)cc2)n[nH]1 92022819 NMKOAGAQCRHNPO-UHFFFAOYSA-N 367.409 2.795 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccc(-n3cccn3)cc2)c2cc(F)ccc2N1 91876823 YODJJOWKGJYYPT-KRWDZBQOSA-N 364.380 2.754 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)cn1 95359237 VETHRBWPHJBQHZ-HNNXBMFYSA-N 354.410 2.626 0 50 FFAA O=C1CCC2(CCN(C(=O)[C@@H](O)c3ccc(F)cc3)CC2)CN1CC1CC1 91494148 XFRWPFYROGZFHT-IBGZPJMESA-N 374.456 2.500 0 50 FFAA COc1ccc(CN2CCC2)c(OC[C@@H](O)CN2CCCCCCC2)c1 95497733 MBFVMVADENDLFW-IBGZPJMESA-N 362.514 2.907 0 50 FFAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)C1 91505840 QBNMQGDKDVXODG-GOSISDBHSA-N 365.477 2.717 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccccc2C)C(C)C)C1 230102090 XOXQCJPPUIFYGJ-WMZOPIPTSA-N 366.527 2.870 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCc1noc(-c3ccco3)n1)n2C 91587201 MTLGGAJAPXTHMG-UHFFFAOYSA-N 352.350 2.760 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)C2CCN(Cc3ccco3)CC2)n1 95381381 ZQKVXOFZCGNJOR-UHFFFAOYSA-N 360.458 2.732 0 50 FFAA C[C@@H](NC(=O)c1cnc2c(cnn2C)c1O)c1cccc(N2CCCC2)c1 179718628 GZBGSZWETVKGII-CYBMUJFWSA-N 365.437 2.765 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1 534663494 JWJYXBNCXUVWJC-OAHLLOKOSA-N 364.453 2.615 0 50 FFAA COc1ccccc1CCC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299739733 AKIGBKOOKCGAHL-KRWDZBQOSA-N 354.454 2.788 0 50 FFAA CN1C(=O)C[C@H](C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c2ccccc21 299750014 MKHBBMVXKZFPLJ-HOTGVXAUSA-N 370.380 2.608 0 50 FFAA CCCc1noc(CN(C)C(=O)NC[C@H](c2sccc2C)N(C)C)n1 534670836 DEDUSOHHJNBRIN-CYBMUJFWSA-N 365.503 2.836 0 50 FFAA Cn1ccnc1[C@H](NC(=O)N1CCCN(c2ccc(F)cc2)CC1)C1CC1 534661919 MAAMTZSIJSTAHL-GOSISDBHSA-N 371.460 2.932 0 50 FFAA CN1C[C@]2(CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)OC1=O 299801470 YZMJWDVFRWEMBF-SFHVURJKSA-N 355.398 2.525 0 50 FFAA Cc1ccccc1NC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299791127 DGXBXKACYLOKIJ-UHFFFAOYSA-N 367.453 2.656 0 50 FFAA CC(C)c1ccc(-c2cccc(C(=O)NCCc3nnc(N)s3)c2)nn1 299772746 BUSASQIVQQLQDA-UHFFFAOYSA-N 368.466 2.673 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(C2CCCCC2)n[nH]1 185083272 BVHAZZDLIWZHNU-MRXNPFEDSA-N 367.453 2.778 0 50 FFAA COc1cc(C(=O)NC[C@@H]2CCCN(Cc3cccc(F)c3)C2)ccn1 824852241 YJRQDNDOTRCJMM-INIZCTEOSA-N 357.429 2.871 0 50 FFAA Cc1c(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)cc2nc[nH]c2c1C 827654452 MVKPEIJVTHTDCR-LJQANCHMSA-N 365.437 2.587 0 50 FFAA COC[C@H](NC(=O)c1ccc(-c2[nH]c(C)nc2C)cc1)c1ccnn1C 584895542 AKRJVNZKQZTIFC-INIZCTEOSA-N 353.426 2.545 0 50 FFAA Cn1ccnc1CCN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 952980490 ZWVSGJGGOJLEFI-UHFFFAOYSA-N 360.889 2.758 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CCO1 268942531 FTHODCZSPUCXTO-ADEWGFFLSA-N 358.221 2.799 0 50 FFAA COc1cc(CC(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)ccc1C 275465684 UJZIVBVYWUHYBH-OAHLLOKOSA-N 359.426 2.653 0 50 FFAA COCc1c(C(=O)NCCn2c(C)nnc2S)sc2ccccc12 170644508 UGYPUTMVDPJHCA-UHFFFAOYSA-N 362.480 2.666 0 50 FFAA O=S(=O)(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccco1 188577883 GJHXOCRYKWYBSD-UHFFFAOYSA-N 363.435 2.841 0 50 FFAA Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCNC(=O)[C@H]4C)ccc32)c1 191816589 MDFZADUZGVOROV-OAHLLOKOSA-N 362.433 2.603 0 50 FFAA COc1cc(CNc2nccc(N3CCOCC3)n2)ccc1OC(C)C 770443291 KBTGWLONTKZVCZ-UHFFFAOYSA-N 358.442 2.721 0 50 FFAA CC1CCN(CC(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)CC1 1615737895 XCJZGNXNUOMRFH-RXVVDRJESA-N 367.493 2.640 0 50 FFAA Cc1csc(SCC(=O)NC2CCN(Cc3ccco3)CC2)n1 1506411778 KYOFWQZKTYOJCO-UHFFFAOYSA-N 351.497 2.917 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c(C)o1 213091833 NZSGRZHDCSMNEQ-HIFRSBDPSA-N 359.451 2.616 0 50 FFAA CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N(C)C(C)C)C2 11880146 KNMPXMFQXUJMFH-GHMZBOCLSA-N 351.472 2.740 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C2CCSCC2)CC1 12203552 MRAPKIWZCQUQTM-IBGZPJMESA-N 367.603 2.975 0 50 FFAA CCc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)o1 14968803 KVWIUYGAPZPIJO-MRXNPFEDSA-N 355.438 2.509 0 50 FFAA c1ccc(-c2nc(CNCc3cccnc3N3CCOCC3)co2)cc1 15064153 NFTRXNLGXDMHHV-UHFFFAOYSA-N 350.422 2.863 0 50 FFAA COc1ccc(NC(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 15072992 ZMCGKAUTLNXQGJ-INIZCTEOSA-N 357.385 2.757 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ncc(F)cc1F 223279347 DNUVKGMVZRMLDA-SUYBPPKGSA-N 360.360 2.537 0 50 FFAA Cc1cccc2cc(-c3nccn3C[C@H](O)CN3CCCC3)c(O)nc12 1857678858 SRBQDJIBPHHHJX-MRXNPFEDSA-N 352.438 2.569 0 50 FFAA CC(C)Cc1nc(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)no1 1857693210 MZFRWCQVVXDCPC-FQEVSTJZSA-N 370.453 2.517 0 50 FFAA CC[C@@H](CNS(=O)(=O)N1C[C@H]2CC[C@H]1C2)Oc1ccccc1Cl 247301434 IIERSRLHVINNQK-IHRRRGAJSA-N 358.891 2.816 0 50 FFAA Cc1ccc(OCCC(=O)N2CC[C@H](N)C[C@H]2C)c(Br)c1 237471163 FBHHQFGYKDFUBM-OLZOCXBDSA-N 355.276 2.865 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nc(-c3ccccc3)[nH]c1C)C2 248025268 KFAXNGFFUIPJCQ-SJORKVTESA-N 366.465 2.858 0 50 FFAA O=C(Nc1cccnc1N1CCOCC1)c1ccnc(NC2CCC2)c1 900333256 ITKXFPJJWBOEBM-UHFFFAOYSA-N 353.426 2.530 0 50 FFAA O=C(OC[C@H]1CC[C@H](CO)CO1)c1cccc(-c2noc(C3CC3)n2)c1 1875298638 IBIHHIHIKHBXNJ-MLGOLLRUSA-N 358.394 2.558 0 50 FFAA C[C@@H](NC(=O)CN=c1ccn(-c2ccccc2C(F)(F)F)[nH]1)C1CC1 1875266164 FIIIQQRMCRARLO-LLVKDONJSA-N 352.360 2.640 0 50 FFAA CCOC(=O)c1sc2[nH]c(Cc3cnn4ccccc34)nc(=O)c2c1C 1875340319 VNKOPXOTYHMCQE-UHFFFAOYSA-N 368.418 2.708 0 50 FFAA COc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 1875317137 OPHGPBAVQDVHNN-WMLDXEAASA-N 354.410 2.598 0 50 FFAA CC(C)n1cnc(C(=O)N2CC[C@H]3CC[C@@H](NC(=O)C4(C)CC4)[C@H]2C3)c1 1875405190 YFLKNUGNCNKSNU-BFYDXBDKSA-N 358.486 2.764 0 50 FFAA Cc1cnccc1OC1CCN(C[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1 888076177 DQFDXGGPKBVUOY-UZLBHIALSA-N 356.470 2.745 0 50 FFAA COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3F)[nH]n2)c1O 2325748048 IQUGDFWLMKTZAA-UHFFFAOYSA-N 355.325 2.960 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C1 2325754293 YYQJMBQROASBHY-GHYUWROASA-N 358.570 2.986 0 50 FFAA O=C(Nc1nnc(-c2ccncc2)s1)c1csc([C@H]2CCCNC2)n1 2325768463 GZTPMNFNLIFRDI-NSHDSACASA-N 372.479 2.776 0 50 FFAA CN1CCN(CCN=c2[nH]c3c(F)cccc3n2C)[C@@H](c2ccccc2)C1 2325859434 ZGFUQQCNJYVCDN-LJQANCHMSA-N 367.472 2.535 0 50 FFAA Cc1ccc(CN(C)CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 2325867979 KPGPUDQBAONECW-SFHVURJKSA-N 351.450 2.669 0 50 FFAA C=Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3cnc(C)[nH]3)C[C@@H]2C)cc1 2325870338 SWNJNRMADVAOEE-UONOGXRCSA-N 352.438 2.736 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 687770 NBWDEJVYMHJBGH-UHFFFAOYSA-N 374.509 2.579 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)cc1 1125293 SEUZBBBXRVVHDY-UHFFFAOYSA-N 352.415 2.838 0 50 FFAA O=C(CSc1nnnn1-c1ccc(Cl)cc1)NC1CCCCC1 1165357 RVYMSUCPCVBNEO-UHFFFAOYSA-N 351.863 2.857 0 50 FFAA O=C(O)c1ccc(Nc2ncc(F)c(N3CCOCC3)n2)c(Cl)c1 2356153071 PRRGEWAWQSTWNY-UHFFFAOYSA-N 352.753 2.548 0 50 FFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356158652 UAFMZHFFXVWJBJ-SFHVURJKSA-N 373.819 2.970 0 50 FFAA CCc1nccn1S(=O)(=O)c1cc(Br)c(C)cc1OC 4744764 DWYCJRKUTSIAKC-UHFFFAOYSA-N 359.245 2.762 0 50 FFAA CC1CCC(N2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)CC2)CC1 115255105 WGAUVTLEQPLPJX-HTWSVDAQSA-N 355.482 2.835 0 50 FFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(COc2ccccc2F)[nH]n1 67841556 OLJUQFXEFZIBRK-PKOBYXMFSA-N 367.380 2.516 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(NCc3cccnc3)nc2)no1 67868251 SVOPJZOLQLHJJL-UHFFFAOYSA-N 352.398 2.525 0 50 FFAA Cc1cc(-n2nc(C3CC3)nc2[C@H](Cc2ccccc2)n2cnnn2)ccn1 65406389 AUHRMTNAVCIZNQ-SFHVURJKSA-N 372.436 2.667 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(Oc2ccc(C)c(C)c2)cc1 67881650 MJEKEOYEFIKKDH-XLIONFOSSA-N 353.466 2.743 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nc3c(s1)CCC3)C2 65430161 FCENHRAHWDKJEE-ZDUSSCGKSA-N 358.463 2.550 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2scnc2C)CC1 328627287 GAHBVUVUVAANLB-KRWDZBQOSA-N 359.499 2.645 0 50 FFAA Cc1nnsc1CN(C)C(=O)CCSc1ccc2c(c1)OCCO2 65506648 NTSDBFXYYRORHI-UHFFFAOYSA-N 365.480 2.759 0 50 FFAA CC(C)(O)[C@@H]1CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67472965 MZFSJCIDAUQTHX-CYBMUJFWSA-N 361.417 2.751 0 50 FFAA Ic1ccc2ncnc(NC[C@H]3CCCO3)c2c1 955132 OFQHMANPGXASJM-SNVBAGLBSA-N 355.179 2.825 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)NCC1(N2CCOCC2)CCCCC1 32683038 IHFFHCHHTJMBIQ-UHFFFAOYSA-N 362.518 2.791 0 50 FFAA COc1ccc(CCNC(=O)c2cn(C)c3ccccc3c2=O)cc1OC 4721472 KBKOCGCZZMXFQK-UHFFFAOYSA-N 366.417 2.528 0 50 FFAA CCN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 121765980 FMXQDKPVJMTVEH-MRXNPFEDSA-N 351.466 2.905 0 50 FFAA C[Si](C)(C)c1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2F)cc1 253425075 OMXUWNANBFNMKG-UHFFFAOYSA-N 359.477 2.792 0 50 FFAA COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)c1F 253429595 HRLNOZUQGSWZTC-UHFFFAOYSA-N 368.311 2.829 0 50 FFAA CC[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 328589553 LJADEDROBJSJQO-CSDRPOHMSA-N 354.560 2.853 0 50 FFAA CN1CC[C@@H](CNc2ncnc3cc(F)c(F)cc23)[C@@H]1c1cccnc1 328644406 ZHBYBDGLTLPZBP-UGSOOPFHSA-N 355.392 3.408 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)CCc3ccccc3)CC2)no1 328641592 QPXYWSRQQUKYEZ-SFHVURJKSA-N 356.470 2.824 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 153117336 HIFMFGKIJQSMGY-LJQANCHMSA-N 366.465 2.555 0 50 FFAA O=C1NCCN1c1ccc(CC(=O)N2CCC[C@@H]2c2ccccn2)cc1 72417912 BPWAHUHROMQEDI-GOSISDBHSA-N 350.422 2.517 0 50 FFAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2CCCO 77343870 BARFDXXSRDWSKJ-HKUYNNGSSA-N 352.434 2.534 0 50 FFAA CCCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)c2cnn(C)c2n1 72480479 FXAHPCJMLFSJCO-UHFFFAOYSA-N 366.400 2.909 0 50 FFAA Nc1nc(C2CCCC2)ncc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 332843318 MZNUZBPSIGEUEJ-FVQBIDKESA-N 356.470 2.794 0 50 FFAA Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Cc1cccc(C(=O)O)c1 262110367 FJMQTIRDJRROAG-UHFFFAOYSA-N 352.390 2.767 0 50 FFAA Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 71735882 AJRIIOUCXFFKJL-LJQANCHMSA-N 370.541 2.689 0 50 FFAA CCC1(CNC(=O)N[C@H](C)c2nc[nH]n2)CCN(Cc2ccccc2)CC1 378527811 XJNXTIIWKPPGFR-MRXNPFEDSA-N 370.501 2.857 0 50 FFAA CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 241371347 MMVPMSVFWSYTIK-FCIDVOKBSA-N 362.813 2.551 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1cccc(N2CCOC2=O)c1 426445427 BOGLQLYSXUVKEK-UHFFFAOYSA-N 357.414 2.817 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1 82139210 NGJQKFQSCLKSLS-UHFFFAOYSA-N 354.435 2.502 0 50 FFAA CN(C)Cc1nnc(C2CCN(Cc3cccc(O)c3)CC2)n1C1CC1 82097581 DIGPOLSXONYPPM-UHFFFAOYSA-N 355.486 2.760 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2nc(-c3ccccc3)no2)C1 426551755 GAOWOTFEUAXSRR-CQSZACIVSA-N 355.442 2.505 0 50 FFAA O=S(=O)(CCC1CCC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 289930001 RHCIXWWIPMRORU-GOSISDBHSA-N 355.475 2.573 0 50 FFAA COCc1c(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)noc1C 426652183 ZYAHKLCAQUAFPA-UHFFFAOYSA-N 369.465 2.792 0 50 FFAA CNCC1CCN(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)CC1 237343871 YZKMSUVPQORVMW-SNAWJCMRSA-N 352.862 2.828 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 95528008 XEYAHABWVKPLMS-GOSISDBHSA-N 355.486 2.534 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1noc(-c3ccccc3)n1)C2 91626277 LRWDFGMWFPZYHT-OAHLLOKOSA-N 365.389 2.613 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(Cc3cccnc3)CC2)CC1=O 95390627 UJQNFAVNVAYZQC-UHFFFAOYSA-N 354.454 2.701 0 50 FFAA COc1cccc(CN(Cc2cccnc2)C(=O)c2ccon2)c1OC 97259161 KMMFXPFRTVDGEV-UHFFFAOYSA-N 353.378 2.929 0 50 FFAA CC(C)(CN[C@@H]1CCCN(CC2CCCCC2)C1)CN1CCOCC1 22916483 CKMMINOZVAQDPB-HXUWFJFHSA-N 351.579 2.979 0 50 FFAA Cc1cc2cccc(NC(=O)N3CCC[C@H](c4nnc(CO)n4C)C3)c2o1 95512570 QOCZUZHPKDPAIW-AWEZNQCLSA-N 369.425 2.774 0 50 FFAA CN(C)[C@H](C(=O)NCc1nncn1C1CCCCC1)c1cccc(F)c1 95382757 OAQCAXHVZOVLCW-SFHVURJKSA-N 359.449 2.842 0 50 FFAA CN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccccc1Cl)CCN2C 91595682 NJLCNZMGQUZESP-SFHVURJKSA-N 364.877 2.500 0 50 FFAA Cc1cnc(N2CCC[C@@H](CS(C)(=O)=O)C2)nc1-c1ccccc1F 293120072 QXJOMZCGKVFROX-CQSZACIVSA-N 363.458 2.852 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3n1)CC2 91952373 PUSSDNFMXSTYSM-UHFFFAOYSA-N 367.449 2.524 0 50 FFAA OC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CN1CCCCCC1 91364776 KDNFIIDNLMRFTH-NHCUHLMSSA-N 368.525 2.993 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](c3cc(=O)[nH]c(C)n3)C1)n2C 95388149 NTVJDVIUMQOUEE-OAHLLOKOSA-N 364.449 2.898 0 50 FFAA COc1cccc([C@H]2[C@@H](NC(=O)c3nnc(C)s3)CCN2C2CC2)c1 248597562 IKTUUSFTJVIGOL-HOTGVXAUSA-N 358.467 2.563 0 50 FFAA Cc1cc(N)n(CC(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)n1 244716244 LLNUTZCVPWLCLN-OAQYLSRUSA-N 370.497 2.807 0 50 FFAA CNc1cc(C(=O)N[C@@H](c2cc(F)ccc2OC)[C@H]2C[C@@H](O)C2)ccn1 244700890 JVWAIBHPRMIMEN-UVBSCNOISA-N 359.401 2.513 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1=O)c1ccc(N2CCCC2)c(F)c1 181600833 NPXVBNNTWNXZKD-MRXNPFEDSA-N 354.381 2.800 0 50 FFAA CCOc1ccccc1CCCNC(=O)N1CCC(c2ncon2)CC1 534585040 HTEOCGVOJUMHSL-UHFFFAOYSA-N 358.442 2.990 0 50 FFAA CCCn1cnnc1[C@@H](C)NC(=O)N(C)Cc1cc(-c2ccccn2)no1 534647238 JUEQWHYLTXHGNY-CYBMUJFWSA-N 369.429 2.641 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(C)no2)cc1Cl 285528149 SEZLLFJKNUCJFJ-ZDUSSCGKSA-N 371.846 2.956 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)NCCc2cccc(OC)c2)c1 299773131 AZZMLKTVDHPMCC-UHFFFAOYSA-N 371.437 2.953 0 50 FFAA CCCN1C[C@@H](NC(=O)Nc2ccccc2OCc2ccccn2)CC1=O 299756352 HOIBKHXQZQREKL-INIZCTEOSA-N 368.437 2.793 0 50 FFAA NC(=O)[C@@H]1CCCN(CCCNC(=O)Nc2cccc(-c3ccco3)c2)C1 299765133 WRXVHMDADSJALX-MRXNPFEDSA-N 370.453 2.656 0 50 FFAA O=C(NCCc1c[nH]cn1)Nc1cccc(C(=O)N2CCCCCC2)c1 299777777 ONEDHLJODIGEBU-UHFFFAOYSA-N 355.442 2.790 0 50 FFAA COc1cc(F)c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c(F)c1 299777671 NZBTVIXHOQOSKH-CQSZACIVSA-N 361.392 2.763 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 299759489 SHHXDPFBTQGABO-LBPRGKRZSA-N 358.829 2.784 0 50 FFAA CCOc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299800322 VMNPNKNLOYNVNC-UHFFFAOYSA-N 364.453 2.700 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC2(CCN(C)CC2)C1 649132510 CSAXGLZZGCGKKJ-CYBMUJFWSA-N 370.852 2.570 0 50 FFAA COCCn1cncc1CNC(=O)c1ccc(-c2ccc(OC)cc2)o1 824466111 IOTRXOBYIHOWHQ-UHFFFAOYSA-N 355.394 2.728 0 50 FFAA Cc1c(NC(=O)C[C@H]2NC(=O)c3ccccc32)cccc1-c1nncn1C 827811831 YWHKUBAWAKBOQD-QGZVFWFLSA-N 361.405 2.604 0 50 FFAA Cc1ccc([C@H](NC(=O)CCC2=NNC(=O)CC2)c2cccnc2)cc1C 670462579 ZQNBKONHSALOIJ-NRFANRHFSA-N 364.449 2.950 0 50 FFAA CC1(C)C[C@]1(CNC(=O)CCC(=O)Nc1nncs1)c1ccccc1 670441742 DWCPCINCRPQAMB-SFHVURJKSA-N 358.467 2.741 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)cc1 952987282 JTCWTFXMGBFQGQ-IBGZPJMESA-N 353.466 2.936 0 50 FFAA CN(C)[C@@H](C(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccc(F)cc1 952982123 VKCDJBVOHXHQTK-HXUWFJFHSA-N 369.440 2.888 0 50 FFAA COc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)c(OC)cc1C 952962336 DQFWRVANCWNKGM-AWEZNQCLSA-N 357.472 2.592 0 50 FFAA c1cc2cc(c1)[C@H]1NCCc3cc(ccc31)OCc1cn(nn1)CCCO2 952857268 CDFZLQSOQURIDO-OAQYLSRUSA-N 362.433 2.875 0 50 FFAA Cc1noc(-c2ccccc2C(=O)N2CCCN(c3ccccn3)CC2)n1 186458952 CQOMUVFMSDHBPE-UHFFFAOYSA-N 363.421 2.793 0 50 FFAA O=C(Cc1c[nH]c2ncccc12)N(Cc1ccccn1)[C@H]1CCCNCC1 186574913 UPOPTYGETZQEFA-SFHVURJKSA-N 363.465 2.671 0 50 FFAA O=C([C@@H]1CC=CC[C@@H]1c1nc(Cc2cccc(F)c2)no1)N1CCOCC1 278986374 KOOZOAQTIKEUQV-DLBZAZTESA-N 371.412 2.708 0 50 FFAA C[C@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nncn1C 170606136 JZVFMRCQPRYMCO-CQSZACIVSA-N 363.421 2.601 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 1506430152 XXRSYTROBURMDG-GFCCVEGCSA-N 360.845 2.936 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)o1 1704344537 SFSYWZANPXIBJP-HXUWFJFHSA-N 369.469 2.522 0 50 FFAA CC[C@@H](C)NC(=O)N1CCCN(C(=O)Cc2cn(C)c3ccccc23)CC1 1775982601 ASOONJYXJJUJHO-MRXNPFEDSA-N 370.497 2.763 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccccc3N3CCCC3)C2)CC1 11820597 SUHVPGOJRTWCND-GOSISDBHSA-N 370.541 2.575 0 50 FFAA O=C1NCCN(CCCc2ccccc2)[C@H]1CC(=O)N1CCCCCCC1 12301382 TWPLGOKIWNNYKC-FQEVSTJZSA-N 371.525 2.602 0 50 FFAA Cc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)n1C 12302510 TVCFJLAJZJKWIW-NRFANRHFSA-N 370.472 2.882 0 50 FFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCCC2=O)c1C 12469268 SABNNJVOMAITFW-KRWDZBQOSA-N 366.465 2.605 0 50 FFAA Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)s1 12865709 RZOMUENTQHCPGJ-MRVPVSSYSA-N 354.794 2.631 0 50 FFAA COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1 19360267 AMMBFVPCVMHCQU-UHFFFAOYSA-N 370.449 2.750 0 50 FFAA CCOC(=O)C[C@@H]1COCCN1Cc1c[nH]nc1-c1cc2ccccc2o1 19798685 FDYSVOAEQKWPSE-MRXNPFEDSA-N 369.421 2.977 0 50 FFAA CCn1nc2c(c1C(=O)NC1CCC(O)(C(C)C)CC1)C[C@@H](C)O[C@H]2C 1857528474 NAFJRQFBJBNRAS-LDJSJTNNSA-N 363.502 2.985 0 50 FFAA C[C@@H]1CCCN(CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)C1 1857672723 YEMQCRDHVFGJDJ-QGZVFWFLSA-N 366.509 2.746 0 50 FFAA Cc1ccc2nc(O)c(CN3C[C@H](C(=O)O)C4(CCOCC4)C3)cc2c1 1857703907 WACNTYXUYNADMA-MRXNPFEDSA-N 356.422 2.562 0 50 FFAA CC[C@@]1(C(=O)NCCc2ccncc2)C[C@@H]2CC[C@H]1N2Cc1[nH]cnc1C 1857716262 DWIHNJAEDTWPHP-FBBABVLZSA-N 367.497 2.605 0 50 FFAA O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857717464 UOTWGVSQACUHGG-APWZRJJASA-N 354.431 2.588 0 50 FFAA CCn1nc([C@H](C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857733451 LIZSEUCCFCOBOO-LBPRGKRZSA-N 356.430 2.580 0 50 FFAA COc1ccc(CC[C@@H](C)N[C@@H]2CCCN(c3nccnc3O)C2)cc1 328628869 HRYBCKQYUAPHBD-NVXWUHKLSA-N 356.470 2.771 0 50 FFAA CCc1nsc(N2CCCN(C(=O)Nc3cc(C(C)C)on3)CC2)n1 266382886 LJVIYFQAMRVACQ-UHFFFAOYSA-N 364.475 2.956 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3cccc(Cn4cccn4)c3)C1)CC2 1704314337 PAFPALSGDNWAMO-JOCHJYFZSA-N 374.492 2.784 0 50 FFAA CCc1c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)oc2ccccc12 952888813 NQFSLOUGPOMIMJ-GDBMZVCRSA-N 354.410 2.758 0 50 FFAA c1csc(-c2nc(Cc3noc([C@@H]4CCCc5nn[nH]c54)n3)co2)c1 952893628 IGJYVEJUYLZBCE-SNVBAGLBSA-N 354.395 2.963 0 50 FFAA COc1ccccc1C[C@@H]1CCC[C@H]1NCc1cnn2c1CN(C)CC2 952889678 JNCPYZUMHLNNBH-QFBILLFUSA-N 354.498 2.838 0 50 FFAA COc1ncc(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)cc1Cl 952890819 JMYYMZKIZMKPRH-PWSUYJOCSA-N 350.806 2.576 0 50 FFAA C[C@H](NC(=O)N1C[C@@H](F)C[C@H]1C(=O)O)c1ncc(-c2ccc(F)cc2)o1 1875298599 GYRATYOJCUNYCW-XDTLVQLUSA-N 365.336 2.748 0 50 FFAA C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)C[C@@H](C)N1Cc1ccccc1 1875296475 YWXTZBVJIAEJJE-OGWHTMIXSA-N 357.498 2.603 0 50 FFAA Cn1cc(C[C@@H]2CCC[C@@H]2NS(=O)(=O)c2ccc3cnccc3c2)cn1 1875312559 OQFVFZZKBYLEFL-LPHOPBHVSA-N 370.478 2.658 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400459 AMSZTCLCWLEDNB-GDIGMMSISA-N 364.449 2.563 0 50 FFAA C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2nc(C3CCC3)no2)C1 1875407229 VMUNPOQWXVAYOA-XBVQOTNRSA-N 358.486 2.949 0 50 FFAA Cc1cn(C)cc1C(=O)NC1CC2(CCN(C(=O)[C@@H]3CC34CC4)CC2)C1 1875407724 GQMFPQZJHNCBKK-KRWDZBQOSA-N 355.482 2.635 0 50 FFAA COc1ccc([C@H](C)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(F)c1 888098962 NYPLACAPVVOCEF-XGBLFZJKSA-N 350.478 2.965 0 50 FFAA CC(C)(C)n1nnc(CCN2CC[C@@]3(c4ccccc4)[C@H](C2)C3(F)F)n1 2325756518 FYHIAIKIGGKFOM-MAUKXSAKSA-N 361.440 2.879 0 50 FFAA CCOCC(=O)N1C[C@H](CNC(=O)C(C2CCC2)C2CCC2)C[C@H]1C 2325793881 KOCYJUMVXBTIHY-CABCVRRESA-N 350.503 2.593 0 50 FFAA Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 2325854491 GPJDYLIYSJQZGR-OJLVUWQFSA-N 360.502 2.805 0 50 FFAA CCc1nccn1CCNC(=O)c1n[nH]c2ccc(C(F)(F)F)cc12 2325856994 LKOGPYJLQXIIJU-UHFFFAOYSA-N 351.332 2.771 0 50 FFAA CCCC1(C(=O)NC[C@]2(C)CN(C(=O)c3ccc(C)c(N)c3)CCO2)CC1 2325878973 CUOQPURNWXSZIN-HXUWFJFHSA-N 373.497 2.505 0 50 FFAA Cc1c(NC(=O)N[C@]23CCC[C@H]2NCC3)cnn1-c1ccc(F)cc1F 873331869 CRYQSMJMJFJFLO-AEFFLSMTSA-N 361.396 2.865 0 50 FFAA Cc1cc(Br)c2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 1127619 DUWMQXNODIJAKV-MRXNPFEDSA-N 361.195 2.565 0 50 FFAA O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(-c2cncc3nc[nH]c23)cc1 2356163385 AUKRBDYFQHKENT-HNNXBMFYSA-N 358.405 2.635 0 50 FFAA C[C@@H](NC(=O)CSc1nnnn1-c1ccc(F)cc1)c1ccccc1 2849329 NQPSYLVJIUZQIU-GFCCVEGCSA-N 357.414 2.771 0 50 FFAA C[C@H](c1nnnn1C1CC1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 248819913 FKEFJJFZRJMDHO-UKRRQHHQSA-N 364.457 2.734 0 50 FFAA CN(C[C@H]1CCCO1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 109401445 YCAOJZHVXRIMKX-CQSZACIVSA-N 364.833 2.753 0 50 FFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2cccnc12 109326098 ISJBTOLMJROPHY-QGZVFWFLSA-N 374.400 2.704 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CNCCc3ccccc3C)C2=O)c1 67908128 RXVMGPPLKZJNKD-HSZRJFAPSA-N 366.505 2.989 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NC[C@H](O)c2ccccc2)no1 67694677 WGDSQCNLEYWMHL-FQEVSTJZSA-N 365.433 2.770 0 50 FFAA CC1(C)OC[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)O1 25664729 ZHFVGOMEUGAIJX-SMLCLMEVSA-N 350.411 2.600 0 50 FFAA O=C1CCCN1CCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67643754 NOPALMJORPNSSB-OAHLLOKOSA-N 371.264 2.906 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H](N)Cc1ccc(O)cc1 67872458 PAMRQECVNYUMFP-KRWDZBQOSA-N 366.465 2.538 0 50 FFAA CCOc1cc(CNc2nc(C)nc3c2CCN(C)CC3)ccc1OC 65526194 ODEKWWVXNKRTJV-UHFFFAOYSA-N 356.470 2.835 0 50 FFAA O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc2c(s1)CCCCC2 61718107 KHFWVOUBEGHCNC-UHFFFAOYSA-N 370.434 2.867 0 50 FFAA CCN(Cc1cc(Cl)ccc1OC)C(=O)C[C@@H]1C=CS(=O)(=O)C1 65526524 FAMUEZLOJNTUFY-LBPRGKRZSA-N 357.859 2.646 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1 77459560 GJZHPWQOSBXHBK-UHFFFAOYSA-N 364.873 2.839 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71479385 DXLPNPVVRJHDQK-DUXKGJEZSA-N 362.477 2.990 0 50 FFAA CCCc1cc(N2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)nc(C)n1 77470896 VTECRDVTFHPYBR-HXUWFJFHSA-N 360.502 2.593 0 50 FFAA COc1ccnc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1 328629952 IVNARKOHZGMZKT-ZFWWWQNUSA-N 350.463 2.591 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)c1cnc(-c2ccco2)s1 171534817 HBLLXWNSGPVGMD-UHFFFAOYSA-N 351.391 2.914 0 50 FFAA CCOC(=O)c1cccc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)n1 77388575 QTOYYIWXOUNQBT-HXUWFJFHSA-N 357.454 2.630 0 50 FFAA O=C1CN(Cc2cnc(-c3ccco3)nc2)CCN1CCc1ccccc1 216440546 HFGKCGJDDVCMSX-UHFFFAOYSA-N 362.433 2.624 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)CCCOc2ccccc2)CC1 72475739 GYNVSVYVMSFFIR-UHFFFAOYSA-N 353.466 2.893 0 50 FFAA CCOc1cc(Cl)ccc1NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 155165241 RGSSGHRGPUBIJD-UHFFFAOYSA-N 359.769 2.521 0 50 FFAA CCCc1nnc(NC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 367094068 WPJCHYSAAAPWAP-CYBMUJFWSA-N 374.514 3.435 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1 332280403 LASCYMJZRYYRTO-LBPRGKRZSA-N 360.433 2.745 0 50 FFAA Cn1ccnc1CN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72172771 BRUMHQWEHKMTPS-CWFSZBLJSA-N 358.436 2.761 0 50 FFAA CCN1CC2(CCN(C(=O)c3ncoc3-c3ccccc3)CC2)CC1=O 72424733 VBICUQKUNVESJP-UHFFFAOYSA-N 353.422 2.816 0 50 FFAA Cc1ccc2ncc(C(=O)NC[C@@H](N)c3ccc(C(C)C)cc3)c(=O)n2c1 236839924 OBNUHFFLSHGSPD-GOSISDBHSA-N 364.449 2.556 0 50 FFAA CC[C@@H]1CN(Cc2ccc(OCC(N)=O)c(Cl)c2)CCN1C(C)C 72145153 CHZCNZOWLKVPTD-OAHLLOKOSA-N 353.894 2.509 0 50 FFAA Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@H](C(=O)O)C3)cc2)cs1 237743212 PDKXSKGBKVXXAB-SZTZYQKNSA-N 372.446 2.977 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N(C)CC1(N2CCCCC2)CCCCC1 72419357 IPYDUDTWFLXECS-UHFFFAOYSA-N 373.545 2.865 0 50 FFAA Cn1ccc2ccc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)cc21 222498499 NMYVSANLIADBMQ-SJLPKXTDSA-N 351.406 2.540 0 50 FFAA Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 131717070 RYTRDURJILYRBV-CYBMUJFWSA-N 355.438 2.834 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3c(F)cccc3F)C2)CCC1=O 82120819 DBSQLRDXBSDBIL-LJQANCHMSA-N 352.425 2.816 0 50 FFAA O=C(CCCC(=O)N1CCCO[C@@H](CN2CCCC2)C1)c1ccccc1 221431915 GAXZYJYLXVOUAM-IBGZPJMESA-N 358.482 2.753 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cn3cc(C)ccc3n2)c1C 221309106 GOHINJFFMUOLBV-ZDUSSCGKSA-N 367.453 2.926 0 50 FFAA CCCCOC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82097911 RNZTVOXFLQTFKD-IBGZPJMESA-N 362.474 2.594 0 50 FFAA O=C(NCc1cccc(CN2CCCC2)c1)N1CC[C@H](CN2CCCC2)C1 174153133 FCOYEGFJFBBLAC-OAQYLSRUSA-N 370.541 2.910 0 50 FFAA CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(C(=O)O)c(C)n1 263336622 NSGSXCZINIYLAV-UHFFFAOYSA-N 369.421 2.806 0 50 FFAA Cc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(C)c1F 82134688 PMWHULHVEFXELB-UHFFFAOYSA-N 373.476 2.816 0 50 FFAA Cc1[nH]c2c(C(=O)N3CC[C@H]4[C@@H](C3)NC(=O)N4C(C)C)cccc2c1C 286368183 PTRVHSJJVWTAIV-SJORKVTESA-N 354.454 2.801 0 50 FFAA O=C(CN1CCCCCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 223918529 YKGVCAQNACGNKH-OBFZPWGMSA-N 372.509 2.816 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(C)nc3C)CC2)c1 176710481 SGUISJPRPIJUQS-UHFFFAOYSA-N 368.437 2.697 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCC(c2nc(N)n[nH]2)CC1 426514517 BDQOZBIAQAUANS-UHFFFAOYSA-N 366.469 2.742 0 50 FFAA C[C@H](C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)N1CCOCC1 19535283 XMUSWQDKACOTNO-OAHLLOKOSA-N 371.460 2.615 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cccc(C)n2)CC1 82097376 VDJBGLFBAYYKEO-UHFFFAOYSA-N 368.529 2.977 0 50 FFAA CCN(C)C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 177849006 HRGFPKITRKXFCP-FQEVSTJZSA-N 372.557 2.677 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC(O)(Cn4ccnc4)CC3)[nH]c12 91620508 QZMOKWYMWOJMSG-UHFFFAOYSA-N 366.465 2.957 0 50 FFAA CN(C)[C@H]1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@H]1CCC(=O)O 91806991 HQNFQYJLONPTBP-AEFFLSMTSA-N 362.518 2.759 0 50 FFAA Cc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1 20606398 XCAROMLUNNSIAQ-GDBMZVCRSA-N 358.492 2.785 0 50 FFAA Cc1c(Cl)cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)cc1Cl 95496584 QMWGUSQJWMDRLS-ZDUSSCGKSA-N 354.193 2.677 0 50 FFAA CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91987532 XVDHUAQPQHZAMF-PKOBYXMFSA-N 370.472 2.708 0 50 FFAA Cc1csc(CNC(=O)N2CCC[C@H]2c2nc(-c3ccncc3)no2)n1 426641342 HXGYSCXFSXFXPA-ZDUSSCGKSA-N 370.438 2.943 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccc(C)o1 92077753 USDNHOFTTWUMPK-WOJBJXKFSA-N 364.449 2.878 0 50 FFAA CN1CCN(C[C@H](O)CN2c3ccccc3Sc3ccccc32)CC1 22478490 LXIDZRUVWLFBAZ-INIZCTEOSA-N 355.507 2.898 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H]1c1ccc(C(=O)O)s1 95505983 PTAYTZUIVNYCNU-LBPRGKRZSA-N 360.439 2.588 0 50 FFAA CCc1ccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)nc1 23478776 GTIJTEXBBMXTHN-RTWAWAEBSA-N 351.494 2.813 0 50 FFAA C[C@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)[C@@H]1OCCc2sccc21 294041131 FQRODOBQJGESPI-YEWDVWPNSA-N 374.462 2.743 0 50 FFAA Cc1oc2c(c1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C(=O)CCC2 244724752 NABICMAUPUOFAE-VNQPRFMTSA-N 368.433 2.614 0 50 FFAA CN(CC(=O)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1)Cc1ccccc1F 244633637 GGOMFLAFLYMDRH-DBXWQHBBSA-N 356.441 2.886 0 50 FFAA Cn1cnc(-c2cccc(NC(=O)[C@H]3CCCN(CC(F)(F)F)C3)c2)n1 183719081 AKTXACYTAKUZSA-ZDUSSCGKSA-N 367.375 2.695 0 50 FFAA CCOc1cccc2c1OC[C@@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C2 299748354 HBJHSIZAKPSSFP-AWEZNQCLSA-N 373.405 2.895 0 50 FFAA O=C(N1CC[C@H](Oc2ccccc2)C1)C1(c2ccccc2)CCNCC1 299768617 YLTQTMOOFZFWRV-FQEVSTJZSA-N 350.462 2.988 0 50 FFAA O=C1C[C@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C2(CCCC2)O1 299782293 VIUWWBWVDQMSFQ-MRXNPFEDSA-N 363.417 2.862 0 50 FFAA O=C(C1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC=C(c2ccccc2)CC1 299797191 MOZPEDAUPDDMNY-FQEVSTJZSA-N 368.477 2.720 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 299754421 LIBLOKVUZGFOSR-NSHGMRRFSA-N 369.509 2.762 0 50 FFAA biogenic C[C@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 670451111 PRUQJKRVHMSVHZ-KRWDZBQOSA-N 362.493 2.527 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)c(C)c1 952968467 CHYSJRJVBGMEQP-UHFFFAOYSA-N 364.405 2.692 0 50 FFAA O=S(=O)(c1cccc(F)c1)N1CCCN(c2ccc(F)cc2)CC1 952987448 LBUYPALVEXWCSS-UHFFFAOYSA-N 352.406 2.866 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)N(C)CCCOc1ccccc1Cl 952967095 IOWGEZIVHSTGCY-UHFFFAOYSA-N 357.863 2.770 0 50 FFAA Cc1cccn2c(CC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cnc12 952980305 VYVHQHBRBSPDRR-LJQANCHMSA-N 364.449 2.788 0 50 FFAA CCOc1ccc(NC(=O)CN[C@H](C(=O)OC)c2ccc(F)c(C)c2)cc1 170597040 GTJMLOJIDGMWHZ-IBGZPJMESA-N 374.412 2.975 0 50 FFAA C[C@]1(O)CCCN(C(=O)NC2CCC(Oc3ncccc3Cl)CC2)C1 187498401 JQLTWEBZBOPVJW-JRSKDTKFSA-N 367.877 2.981 0 50 FFAA CCCn1c(C)c(C(=O)N2CCOC[C@]23CCOC3)c2cc(OC)ccc21 194401502 XOISWCNIFVMTSU-OAQYLSRUSA-N 372.465 3.000 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(-c4ccccc4)on3)CCN21 1616070654 CRTVJSAEJXWTOZ-SJORKVTESA-N 355.438 2.667 0 50 FFAA Fc1ccc(N2CCC(N3CCCN(c4ncccn4)CC3)CC2)cc1F 1506414411 YTHNRVNGCOJGBC-UHFFFAOYSA-N 373.451 2.936 0 50 FFAA CCn1c(NCc2nc3ccc(OC)cc3[nH]2)nc2cc(C(=O)O)cnc21 1506413603 JBXJAOKOFKOYQH-UHFFFAOYSA-N 366.381 2.646 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529191430 XXDVSCBLBFLQJE-NVXWUHKLSA-N 364.367 2.705 0 50 FFAA CCN(Cc1ccc(C)o1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529100173 PEAWCBPFWKAOET-UXHICEINSA-N 370.449 2.843 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2ccccc2OCCc2ccccc2)C[C@@H]1O 222021000 MZCSOHWBNJLNOF-UNMCSNQZSA-N 369.461 2.656 0 50 FFAA CC1=CC2(CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)OCC1 1704339877 PIFHQGUIGSLZGP-UHFFFAOYSA-N 367.449 2.514 0 50 FFAA CC(C)CNc1ccccc1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772702309 FTGMOXQKNFAYBV-SFHVURJKSA-N 365.477 2.938 0 50 FFAA Cc1nnc(CN2CCCN(C(=O)c3cc4ccccc4cn3)CC2)s1 1772704351 IDNLGHBODGIZLN-UHFFFAOYSA-N 367.478 2.743 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCCN2CCC[C@@H]12 1772806844 KWDRGXRGYXZEEO-PMACEKPBSA-N 352.482 2.775 0 50 FFAA Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H](C)CS2(=O)=O)c1 12003676 CUPIWOQEKPQDRX-CYBMUJFWSA-N 358.419 2.560 0 50 FFAA CCOc1ccccc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12138500 PMTDGKHNWVSLDY-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@H]2CCOC2)CC1 12199365 KQVSIPJAXSPACL-SFHVURJKSA-N 359.466 2.828 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1ccccc1-c1ncc[nH]1 12300480 DLYFVMDKMGKLIK-MRXNPFEDSA-N 366.465 2.988 0 50 FFAA COCCC(=O)N(CCOC)CC1CCN(Cc2ccccc2F)CC1 12587897 IBABOZDKLCUYAF-UHFFFAOYSA-N 366.477 2.549 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)nn1C 12718348 UCOIDZIYWWXMGB-NRFANRHFSA-N 370.472 2.996 0 50 FFAA CCc1ccc(-c2ccc(N3CCC[C@H](C)C3)nn2)cc1S(=O)(=O)NC 16626381 RQRSKDPDYOPZRM-AWEZNQCLSA-N 374.510 2.850 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CCOCC1 19849895 CFARFXUMTWQPCG-FPOVZHCZSA-N 350.418 2.785 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cn3ccccc3n1)CC2 1857666237 MDRLIKBREYHHFX-UHFFFAOYSA-N 371.444 2.976 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cnc(-c2cccnc2)nc1C 1857679792 VPQHWFZFBNXTTB-YYFZDKIDSA-N 366.421 2.705 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)c2nc(Cl)n(C)n2)c2cccnc2)c1 1857682407 KDOIDYPFVFLRTQ-HNNXBMFYSA-N 355.829 3.000 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@]3(CN(CCC=C(C)C)CC[C@H]3O)C2)cn1 1857683929 RMEWZFINMNMSES-TZIWHRDSSA-N 374.529 2.548 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CCCc1cn[nH]c1)CC2 1857697718 JSMBJSUVBSUVQE-UHFFFAOYSA-N 363.465 2.760 0 50 FFAA COCCn1ccnc1-c1nccn1C[C@@H]1COc2c(cccc2OC)C1 1857708232 WTWBJTNETCQYLD-OAHLLOKOSA-N 368.437 2.653 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1CC[C@@H](O)CC1)CC2 1857709170 IVALQEROWDLAKZ-CALCHBBNSA-N 353.466 2.565 0 50 FFAA COCCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@H]1CC[C@H](C)C1 331147187 ZSBQPCBIEREXEB-ZFWWWQNUSA-N 353.484 2.676 0 50 FFAA Cc1c(NS(=O)(=O)c2cccc(Cl)c2O)cnn1C1CCOCC1 451065404 AEHLQSVANVRWIN-UHFFFAOYSA-N 371.846 2.703 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1C 253382385 HZOGQAMOCJFSIK-WBVHZDCISA-N 371.481 2.697 0 50 FFAA CCc1nc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n[nH]1 157759327 OIGQYHMPKGFXMJ-UHFFFAOYSA-N 368.268 2.632 0 50 FFAA CCCn1nccc1C1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 377196695 LDWNPHYABNHTOU-UHFFFAOYSA-N 368.472 2.976 0 50 FFAA CCOC(=O)Cc1ccccc1NC(=O)Cc1cnc2c(C)cccn12 1875272054 CMKKAIGLDPCEEF-UHFFFAOYSA-N 351.406 2.930 0 50 FFAA O=C(N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2c1CCC2 1875255567 DWWWGBGVIRGPQS-HXUWFJFHSA-N 364.445 2.505 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 1875370719 ALDXRLFZDNVGQU-MRXNPFEDSA-N 356.466 2.874 0 50 FFAA COc1ccc2c(CC(=O)N3C[C@H](N)CC[C@@H]3C(F)(F)F)coc2c1 886033214 SNWUFUXQBYYGCZ-IAQYHMDHSA-N 356.344 2.865 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC1=NS(=O)(=O)c2ccccc21 301508067 DKUKMJYPMOQTQL-MAUKXSAKSA-N 369.490 2.636 0 50 FFAA O=C(C[C@H]1OCCc2ccsc21)N[C@H](Cc1cccc(F)c1)C(=O)O 2325762983 HURZJFRUHDWFIJ-HUUCEWRRSA-N 363.410 2.703 0 50 FFAA CC(C)NS(=O)(=O)c1cccc(-c2nc([C@H](C)c3cccnc3)no2)c1 2325788818 JCPRWAKPUGGRHK-CYBMUJFWSA-N 372.450 2.970 0 50 FFAA COC(=O)[C@@H](C)Oc1ccc(NC(=O)c2cc[nH]c3nccc2-3)cc1F 2325822221 KCWTWLSBOWPDAU-SNVBAGLBSA-N 357.341 2.846 0 50 FFAA CC[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1)C(C)(F)F 2325842699 FXXVTMCRYRGCIR-RYUDHWBXSA-N 356.417 2.545 0 50 FFAA O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 786023 KSQGJZYEUNXWIX-OAHLLOKOSA-N 350.484 2.536 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1 882021 YXOFUVDTTYGLSD-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1F 1051771 VAAQTVOCEFSSJO-OAHLLOKOSA-N 358.394 2.830 0 50 FFAA COc1ccc(C(=O)CSc2cc(C)nc3nc(C)nn23)cc1OC 1058588 BAGNOPUENPAVSE-UHFFFAOYSA-N 358.423 2.733 0 50 FFAA S=C(Nc1ccc(Br)cc1Cl)NN1CCOCC1 1117586 QORYARGEYJUQDO-UHFFFAOYSA-N 350.669 2.636 0 50 FFAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 1177047 MMHSDLXZTSWAIF-UHFFFAOYSA-N 352.390 2.885 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cccc(-c2cncc(N)n2)c1 2356148179 KSKQASQEBHQOOQ-QGZVFWFLSA-N 360.417 2.802 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1O 2356150357 YGLYCQWHRPPRMX-OAQYLSRUSA-N 374.481 2.725 0 50 FFAA CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C 4760610 SPAQWPZGFYWELB-HOTGVXAUSA-N 364.442 2.697 0 50 FFAA CCCCN1C[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1=O 7452875 FWFSAJDLAQXMSC-GOSISDBHSA-N 357.498 2.601 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)O2 416016155 HIWVCXMWYWKUBF-INIZCTEOSA-N 363.410 2.870 0 50 FFAA COc1cccc(CN2CCC[C@H](NCc3cnc(SC)nc3)C2)c1 20601099 RZNZZQRLDTWHDM-KRWDZBQOSA-N 358.511 2.961 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)s2)C1 59741058 VCPSKOJCJHLASU-MRVPVSSYSA-N 364.393 2.780 0 50 FFAA COc1ccccc1-n1cc([C@@H](C)Nc2nc(C)nc3c2CCNC3)cn1 67774189 RNVAFAVYTZCDKJ-CYBMUJFWSA-N 364.453 2.798 0 50 FFAA CCN1C[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)CC1=O 63760686 QCLRCTWUJOYOMI-GOSISDBHSA-N 352.434 2.750 0 50 FFAA COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1C 248877304 WDOQCISRVZCTPF-QEORTHHSSA-N 350.846 2.860 0 50 FFAA O=c1c2nnc3ncnn3c2ccn1-c1ccc(Oc2ccccc2)cc1 67630540 FMYMXQKTADMRPJ-UHFFFAOYSA-N 356.345 2.616 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C2CCOCC2)CCO3)n1 67833982 AXASYZVIHLPLCC-UHFFFAOYSA-N 355.438 2.839 0 50 FFAA COc1ccc(-c2nc(CN3CCC[C@H](C(N)=O)C3)c(C)o2)c(OC)c1C 67641791 NFDVUYRDSSVPMT-AWEZNQCLSA-N 373.453 2.673 0 50 FFAA CC[C@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC[C@@]1(C)O 67743393 QKKXHZXJSIISSL-LHOQKQOUSA-N 372.513 2.583 0 50 FFAA O=S(=O)(N1CCCCC1)N(Cc1ccccc1)CC1(O)CCCC1 119971995 ZEQIFVOWRLJSDB-UHFFFAOYSA-N 352.500 2.524 0 50 FFAA Cn1ncc(Br)c1CNC(=O)c1cc(-c2cccs2)on1 2802708 OTMNNQVPYGCODM-UHFFFAOYSA-N 367.228 2.829 0 50 FFAA COc1ccc(CN2C(=O)C(=O)N(Cc3ccccc3C)C2=O)cc1OC 4013384 LCUBRWAOZIUUGZ-UHFFFAOYSA-N 368.389 2.503 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@](O)(CN2CCCC2)C1 77298766 DDMILSYNHWKCMO-GOSISDBHSA-N 370.415 2.697 0 50 FFAA O=C(CCc1cccnc1)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 219232873 ITJKVFXPGPZPGF-KRWDZBQOSA-N 363.421 2.865 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77303324 OQBXOUWRBULGNC-OAHLLOKOSA-N 370.428 2.544 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 6970756 XSHZIQDTFDBJOY-UHFFFAOYSA-N 359.835 2.935 0 50 FFAA COC(=O)c1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 36385634 RUZGXZYPKSIOKL-HXUWFJFHSA-N 360.498 2.675 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 72479334 PQQACEZQXYMFKW-UHFFFAOYSA-N 358.482 2.617 0 50 FFAA Cc1cccc2nc(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cn12 72157131 SCXXZECMWQLJOK-GOSISDBHSA-N 368.481 2.752 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(C)CCOc3cccc(Cl)c3)cnc21 77438137 JQDQTXKFQIISTM-UHFFFAOYSA-N 373.844 2.838 0 50 FFAA OC[C@@H]1CCCN1c1ccc(-c2nc(CCc3ccccc3)no2)cn1 39363297 PMAMELSYKJVTMY-KRWDZBQOSA-N 350.422 2.878 0 50 FFAA CCc1cc(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)cs1 77470349 GCBBCCBQSSYGLC-UHFFFAOYSA-N 358.463 2.804 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cnn(CC)c3C)C2)CCC1=O 77375730 OQFCFDAJNZALSS-FQEVSTJZSA-N 360.502 2.856 0 50 FFAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 182020419 FORVAAFMMKAGMD-ZDUSSCGKSA-N 369.387 2.858 0 50 FFAA O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 219341913 FRKDDRSYCPJGKM-UXHICEINSA-N 363.461 2.664 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc[nH]c2C2CC2)n1C 366088154 OEFQKIDZNLJIQB-INIZCTEOSA-N 354.454 2.958 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)c1 366771772 ZFTQCQMJHUHPBJ-KGLIPLIRSA-N 355.438 2.548 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](OCc2cccnc2)C1 77437286 SNFCUPAXYRNVIN-INIZCTEOSA-N 363.417 2.745 0 50 FFAA O=C(c1cc(Cl)c2c(c1)OCO2)N1CCNC[C@@H]1c1cccc(F)c1 261999580 PTBLBSRDNZNAEK-OAHLLOKOSA-N 362.788 2.995 0 50 FFAA CCN1C(=O)NC(=O)C12CCN(Cc1cccc(-c3ccccn3)c1)CC2 72169277 HUTMUHLHEJUXJC-UHFFFAOYSA-N 364.449 2.655 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1C[C@@H](O)C2(CC2)C1 376049883 HJFLJOOOCHCPMW-OAHLLOKOSA-N 354.372 2.903 0 50 FFAA COc1ccccc1S(=O)(=O)N1CC[C@H](c2ccccc2C(=O)O)C1 72145311 LREQPABZTUUMON-ZDUSSCGKSA-N 361.419 2.572 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333980093 BXZZJQSECIOMCO-AEFFLSMTSA-N 361.507 2.998 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3ccc(OC(F)F)cc3)CC2)OC1=O 72152020 QBSDOYQVHKMTDI-QGZVFWFLSA-N 354.353 2.735 0 50 FFAA COc1ccc(C(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)cc1C 72144662 RUXIYQXQXVQHCC-MRXNPFEDSA-N 352.434 2.807 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 289204981 VVNYHVXVMPCNPC-OAHLLOKOSA-N 358.442 2.701 0 50 FFAA COc1coc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)cc1=O 82127798 LMCWIQRHKDVAGW-HNNXBMFYSA-N 374.412 2.572 0 50 FFAA Nc1nc(C2CC(O)C2)cc(N2CCC(Oc3ccccc3Cl)CC2)n1 223038949 PTXNWUUJVOOVAU-UHFFFAOYSA-N 374.872 2.998 0 50 FFAA Cc1cc(CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(C)n1 20606853 BBULGFCTNPLMMA-UHFFFAOYSA-N 357.361 2.626 0 50 FFAA CC(C)c1noc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1 95381969 KDNIEPHHLVSRMW-KRWDZBQOSA-N 356.470 2.731 0 50 FFAA COC(=O)c1cnc2c(c1)n(Cc1nccs1)c(=O)n2C1CCCCC1 95371640 FADJFISBKIJYKE-UHFFFAOYSA-N 372.450 2.995 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@H](C(=O)O)c3ccc(F)cc3)[nH]n2)cc1 95524449 KIXOMVJNBVBSGU-KRWDZBQOSA-N 369.352 2.780 0 50 FFAA Cc1ccc2nc(C(=O)NCCc3nc(C)cc(C(F)(F)F)n3)cn2c1 91695357 XFLBCSYUQPIXSR-UHFFFAOYSA-N 363.343 2.732 0 50 FFAA COCc1nc(NCCOc2ccc(C)c(C)c2)cc([C@H]2CCOC2)n1 426698526 ZCZPZSRCLNZSEY-INIZCTEOSA-N 357.454 3.235 0 50 FFAA CSc1cccc(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c1 91974203 KULGIWLCRAOMBS-HXUWFJFHSA-N 364.555 2.704 0 50 FFAA CN(C)Cc1ccc(CSCCN2C[C@@]3(CCOC3)CCC2=O)o1 91665329 PNKKDFKJVNBLRP-SFHVURJKSA-N 352.500 2.604 0 50 FFAA O=C(Nc1cccc(Oc2ccccn2)c1)c1cn(C2CCNCC2)nn1 238087646 WTIDWFVJEBSIAL-UHFFFAOYSA-N 364.409 2.642 0 50 FFAA O=C(c1coc(CN2CCOCC2)c1)N1CCCC[C@@H]1c1cccnc1 95381243 UVFZDBLPXAJQEV-LJQANCHMSA-N 355.438 2.874 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCOC[C@@H](O)C3)cc2)c1 95516565 YTVBUAHELMWOSI-HNNXBMFYSA-N 358.394 2.713 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 239121149 JJPOBFQKVTVHJJ-DRMAHVMPSA-N 361.825 2.970 0 50 FFAA CC(C)(NC(=O)[C@@H]1CCCN(C2CCCCC2)C1)c1nnc(N)s1 97742963 ASIBSVVXVCHKPV-GFCCVEGCSA-N 351.520 2.516 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)Nc1cc(C)nn1-c1ccc(OC)cc1 96179703 NLNHAQDDLZIYLD-HNNXBMFYSA-N 368.441 2.986 0 50 FFAA C[C@H](CNC(=O)c1ccc(-c2ncn(C)n2)cc1)Oc1ccccc1F 180301445 VLCXORDERNJZPB-CYBMUJFWSA-N 354.385 2.819 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 243956921 CEJPPCJELMZXSQ-JQVVWYNYSA-N 366.461 2.509 0 50 FFAA COc1ccc2cccc(CC(=O)NC3(c4ncon4)CCOCC3)c2c1 184049035 TWGJQWSVKXZBBZ-UHFFFAOYSA-N 367.405 2.596 0 50 FFAA O=C(O[C@@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@@H]([C@H]%11[C@H]9[C@H]([C@H]85)[C@H]4[C@H]%111)[C@H]2[C@H]([C@@H]63)[C@H]7%10)C(F)(F)F 257358704 VWEHEQAELOIJAO-BHEMGCFDSA-N 372.386 2.688 0 50 FFAA CC[C@H](COC)NC(=O)c1cccc(-c2ccc3nc(O)nc(O)c3c2)c1 534636214 CRVPSPVDABZTTC-OAHLLOKOSA-N 367.405 2.863 0 50 FFAA O=C(N[C@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1ccoc1 263615300 BRIRTVRHIIQILY-KRWDZBQOSA-N 373.416 2.998 0 50 FFAA O=C(Nc1nonc1N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1Cl 100210575 JGMUGAYJAJXKSQ-AOOOYVTPSA-N 374.784 2.655 0 50 FFAA Cc1cccc(CNC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 299781895 OYZARQRTNNLPIN-SFHVURJKSA-N 368.437 2.621 0 50 FFAA CCn1ncnc1[C@H](NC(=O)Nc1cccc(-c2ccn[nH]2)c1)C1CC1 299797670 OLNXBJVWOSZPQN-MRXNPFEDSA-N 351.414 2.961 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2cccc(-c3cnc[nH]3)c2)on1 299773159 CCOZIFLBQXFUEE-KDOFPFPSSA-N 367.409 2.752 0 50 FFAA CC(C)C[C@@H](NC(=O)Nc1cc(-c2cccnc2)nn1C)c1ncnn1C 299794111 KXDXIXDWIWQAQS-OAHLLOKOSA-N 368.445 2.520 0 50 FFAA O=C(CC1CCCCC1)Nc1ccc(OCC(=O)N2CCOCC2)cc1 828057204 PHCMXFQFWZAABE-UHFFFAOYSA-N 360.454 2.833 0 50 FFAA CC[C@@H](C(=O)NCc1ccccc1-n1ccnc1)N1Cc2ccccc2C1=O 822628993 SCTULONUAWJYBS-IBGZPJMESA-N 374.444 2.923 0 50 FFAA O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1N1CCCC1=O 1325239168 CVRIGWCWARUGOA-CQSZACIVSA-N 358.344 2.955 0 50 FFAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 1565512778 SUSNWSALSUQJDJ-LRDDRELGSA-N 365.836 2.973 0 50 FFAA Cc1nc(C2CCN(c3nn4cc(-c5cccnc5)nc4s3)CC2)n[nH]1 302107459 SJYFJGUWPNLNIY-UHFFFAOYSA-N 366.454 2.663 0 50 FFAA Cc1nc(C(C)(C)NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)no1 272192559 LFOVWZQODBBCRA-QMMMGPOBSA-N 373.379 2.909 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCO[C@@H](COCC2CC2)C1 170600908 LGAVCMMCKGQVCB-MRXNPFEDSA-N 357.372 2.902 0 50 FFAA COCCN(C)c1ccc(CN2C[C@@H](C)Oc3ccc(OC)cc32)cn1 191511974 OEKRKOXSGDTBCM-OAHLLOKOSA-N 357.454 2.960 0 50 FFAA CCCN1CCC(N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)CC1 1616085536 YDSHRLWYAPBBFX-AVRDEDQJSA-N 353.510 2.944 0 50 FFAA O=C(Cc1cccs1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529182770 ZSYFEHQDWSQSLO-DNVCBOLYSA-N 352.459 2.901 0 50 FFAA O=C(Cc1cccc2ccccc12)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529185365 LQUQPXWHEAZOPD-TZIWHRDSSA-N 350.462 2.704 0 50 FFAA O=C(O)[C@@H]1COCCN(Cc2ccc(OCCc3ccccc3)cc2)C1 1772808885 DKTAMXYZFQMILU-IBGZPJMESA-N 355.434 2.841 0 50 FFAA CN1CCOC2(CCN(C(=O)c3c(Cl)ccc4ncccc34)CC2)C1 1775984394 RSPOIDASRSFLPU-UHFFFAOYSA-N 359.857 2.825 0 50 FFAA COc1cccc(CN2CCC[C@@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)c1 11819180 ROWRUTRWNZEGNX-MRXNPFEDSA-N 354.454 2.690 0 50 FFAA O=C(NC[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)c1ccco1 11958118 JREYTTZWYORCFR-RTGRKSDTSA-N 374.462 2.722 0 50 FFAA COC[C@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1 12447303 DMAOAQCFXQVUCG-CQSZACIVSA-N 365.380 2.908 0 50 FFAA CCCCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12448856 UICCZQMKQVIGMN-LJQANCHMSA-N 358.530 2.674 0 50 FFAA COc1ccc(N2C3=[N+](CCCC3)C[C@]2(O)c2ccc(OC)cc2)cc1 17123649 XNLLARNCCDEAJX-NRFANRHFSA-N 353.442 2.964 0 50 FFAA O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)nc2ccccc12 19781732 FOAGAWMLBFBXEQ-UHFFFAOYSA-N 361.445 2.964 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1 19924042 DMZKTBVERAAECM-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccccc4)CC3)nn2)n1 169778631 AUEGNACOJGHNNY-UHFFFAOYSA-N 366.425 2.929 0 50 FFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(C)cc4C)C3)nn2)n1 169778087 GJDYUCRKOXJGRR-AWEZNQCLSA-N 366.425 2.595 0 50 FFAA O=S(=O)(c1ccc(Cl)s1)N1CCCN(Cc2cccnc2)CC1 155343937 IZHTZAKOSRARNS-UHFFFAOYSA-N 371.915 2.693 0 50 FFAA Cc1nc(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)s1 1857684280 GMKUIPWWVATNJR-IRXDYDNUSA-N 359.495 2.904 0 50 FFAA c1ccc(-n2nccc2-c2nccn2Cc2cccnc2-n2cncn2)cc1 1857691501 NWDCATAPPKROKA-UHFFFAOYSA-N 368.404 2.760 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccoc3)CC2)OCCN1Cc1ccccc1 1857695990 HPKWGFBCXJQJTH-UHFFFAOYSA-N 368.433 2.704 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cc(Cl)cc(Cl)c1 1857741673 XIOPZTBXACWBGU-JYJNAYRXSA-N 355.265 2.975 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(c2nccs2)C1 369967722 SCJMXQHJWRAVDE-SECBINFHSA-N 353.806 2.605 0 50 FFAA COc1ccc([C@@H](CC(=O)OCCc2ccc(C)nc2)NC(C)=O)cc1 1875305369 BOTSXEMKITYNFV-LJQANCHMSA-N 356.422 2.752 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1061411 ZJTHQHZLDUNQPY-AWEZNQCLSA-N 352.390 2.855 0 50 FFAA Cc1nc2c(C(=O)NCCCN3CCCc4ccccc43)ccnc2n1C 2100542937 KIQOAGCBFKJNNA-UHFFFAOYSA-N 363.465 2.849 0 50 FFAA CN1C(=O)CCc2ccc(C(=O)NCCCCCC3CCNCC3)cc21 2325768798 PJAYPUPRWUEETK-UHFFFAOYSA-N 357.498 2.885 0 50 FFAA c1cc(N2CCC[C@@H](Cc3nccs3)C2)nc(N[C@H]2CCCNC2)n1 2325800620 XZUUOUJAJBBCAZ-GJZGRUSLSA-N 358.515 2.556 0 50 FFAA CO[C@H]1C[C@@H](CCO)N(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 2325816671 SYUZPNYIQFJTIX-PAPYEOQZSA-N 373.371 2.687 0 50 FFAA CC1(C)CCN([C@H](C(N)=O)c2cccc(Br)c2)CC(C)(C)N1 2325827786 QKSQHRJUDCWBIR-AWEZNQCLSA-N 368.319 2.828 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)C1 2325888711 SPWMMNVOGDWTCD-PXNSSMCTSA-N 374.456 2.522 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N[C@H](C)c3cnn(C)c3C)ccc21 2325889788 WACHXYZOJLBYFR-CYBMUJFWSA-N 352.438 2.685 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)Cc2cccc(F)c2F)CC[C@H]1O 2356164367 QKDRVYRTKDFXOA-DNVCBOLYSA-N 369.408 2.608 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3cnn(CC)c3C)c2)CC1 2356166757 MKONGASNRWEYFT-UHFFFAOYSA-N 370.453 2.793 0 50 FFAA COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(OC)cc1 2855917 ARNPBUQERJPMND-UHFFFAOYSA-N 352.394 2.852 0 50 FFAA O=C(Nc1ccc(Cl)cn1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731736 SZDWWMIKLBSDJW-ZDUSSCGKSA-N 361.804 2.904 0 50 FFAA Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3noc(C(C)C)n3)nc12 225527125 KDDPHHDKYKJELY-OAHLLOKOSA-N 353.426 2.846 0 50 FFAA COc1cc(C)cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1O 111630201 BPIKNBVLRKVJRX-CQSZACIVSA-N 374.824 2.898 0 50 FFAA CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN2CC[C@@H](O)C2)cc1 114562956 YZZFUGVUVKTVOH-UXHICEINSA-N 355.478 2.819 0 50 FFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccccn4)c(=O)n1c23 100630056 UKGPVLKYKZWJSU-LLVKDONJSA-N 367.380 2.678 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCC[C@@H](CO)C1 249038310 GJDMYYPDSZAWNN-OCCSQVGLSA-N 372.296 2.986 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)N[C@@H]1COC2(CCCC2)C1 20539457 PJPHWWASMJQYMS-HNNXBMFYSA-N 356.426 2.672 0 50 FFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)c(Cl)c1 55060289 PGMVVZJPWUJWMJ-UHFFFAOYSA-N 366.252 2.544 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)n[nH]2)n1 67713158 PSJSDWSRAPFEJZ-SFHVURJKSA-N 353.401 2.998 0 50 FFAA COCCNC(=S)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20028505 ZZEUWBBDNMZIGM-UHFFFAOYSA-N 362.326 2.632 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1 67620674 XHPWOMQUFLFECE-UHFFFAOYSA-N 372.448 2.653 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)CCc1nc(-c2ccccc2)no1 77323658 QWKSESHUAXNYIH-UHFFFAOYSA-N 363.377 2.864 0 50 FFAA O=C1CC[C@@H](NCc2ccc(C(=O)N3CCCC3)cc2)CCN1CC1CC1 67675958 BJBVLPGKKZPNEP-HXUWFJFHSA-N 369.509 2.803 0 50 FFAA COc1cc(CCNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)ccc1C 120647156 VAUZOYNDXFHFOI-KRWDZBQOSA-N 358.442 2.743 0 50 FFAA COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(N)=O)c1C 1002340 HDQJUKAHIXRJHR-UHFFFAOYSA-N 352.799 2.848 0 50 FFAA COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(F)(F)F)c1 252587369 XSUWKOVBACYWNS-FCIDVOKBSA-N 369.339 2.853 0 50 FFAA Cc1nnc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 330216679 HYKCTJLSCZLGOC-LBPRGKRZSA-N 366.512 2.579 0 50 FFAA COc1ccccc1CCC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 77484725 LHNBTFYOIADURX-UHFFFAOYSA-N 370.424 2.638 0 50 FFAA O=C([C@@H]1CCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 216539101 BYDHZAMIHMBPHX-LJQANCHMSA-N 364.445 2.790 0 50 FFAA NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@@H]2c2ccccc2F)cc1 363347070 CFWATVDFLMUUMA-RUJXFNLJSA-N 354.381 2.677 0 50 FFAA CCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)c2cnn(C)c2n1 72124109 IRAJVSJEKXIOAZ-UHFFFAOYSA-N 352.373 2.518 0 50 FFAA CCCn1ccnc1CN1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1 77470887 RDRNGSSJEISIOM-UHFFFAOYSA-N 373.501 2.863 0 50 FFAA O=C(NCc1csc(Cc2ccccc2)n1)c1cc2c([nH]c1=O)CCC2 216416234 MWSWTRFALDVNOH-UHFFFAOYSA-N 365.458 2.841 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCC2(CC1)c1ccccc1C[C@H]2O 72148558 HQLGKKIUEVPWKQ-MRXNPFEDSA-N 360.841 2.738 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(CN(C)C)n2C)C1 72447250 IGSZLUCLICVYHZ-MRXNPFEDSA-N 370.501 2.851 0 50 FFAA COc1c(F)cc(CN2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1F 77505752 UAVWTRHCKSSWII-OAHLLOKOSA-N 367.484 2.821 0 50 FFAA O=C(NCc1ccc(CO)c(F)c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333766673 QNAIWOYUKIVCOO-AEFFLSMTSA-N 362.445 2.809 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCC([C@H](O)c3nccn3C)CC1)CO2 215544154 ZWGWGBYCRMINBS-FQEVSTJZSA-N 369.465 2.650 0 50 FFAA CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 216267009 SJFCTOILWUYPPF-NRFANRHFSA-N 365.477 2.652 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)c1 72430947 SQHOJCFHVMOEKO-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cn2cc(Cl)ccc2n1 223154518 MCZAUHBXSRTNDX-GDBMZVCRSA-N 363.845 2.858 0 50 FFAA O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1Cc2cc(F)ccc2O1 130755477 CLMJPWZNHBOGTP-QGZVFWFLSA-N 352.369 2.602 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1nc(O)c2ccccc2n1 426536276 LHYLQMKMQQTWAI-OAHLLOKOSA-N 367.409 2.987 0 50 FFAA CC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 426425199 HZGJQJJLQUNSGQ-QGZVFWFLSA-N 362.433 2.971 0 50 FFAA C[C@@H]1CNC(=O)CCN1C(=O)Nc1ccc(CCc2ccccn2)cc1 426478187 VWRYKJVICXTFND-OAHLLOKOSA-N 352.438 2.609 0 50 FFAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)o1 287572190 NEHPDMZWLRXZQA-KCXAZCMYSA-N 370.453 2.805 0 50 FFAA OCCCNc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12 41150385 QGGNKYMAHNBCEH-UHFFFAOYSA-N 363.465 2.751 0 50 FFAA COC[C@H](C)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426502815 AVHKNYCJQUBXBQ-NSHDSACASA-N 363.483 2.676 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1cccc(-c2cnc(N)nc2)c1 426370803 RNYUCZPFMYEFKO-UHFFFAOYSA-N 364.453 2.866 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)CC2 426421701 AFMBNFFGYYSWMP-NSHDSACASA-N 361.829 2.539 0 50 FFAA Cc1cccc(-n2nc(C3CC3)nc2-c2ccc(-c3nnn(C)n3)cc2)n1 97446978 UBOHRKXEANQBED-UHFFFAOYSA-N 358.409 2.706 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 91439916 WWJOEAXKHGMWNJ-HNNXBMFYSA-N 353.466 2.763 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)s1 91656273 ICLCUPKWBUQDMC-LSDHHAIUSA-N 374.462 2.963 0 50 FFAA CSc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)cc1 95378732 QNXXZNSDKKWEJC-QGZVFWFLSA-N 362.495 2.869 0 50 FFAA OC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@H]1CN1CCCC1 91350870 QSOQZEIUAUDPAL-HUUCEWRRSA-N 360.395 2.981 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2CC2CCC2)C1 95373667 ZRCGMRAWKCESQT-HNNXBMFYSA-N 353.470 2.915 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N(C)Cc3cc(-c4ccncc4)no3)c2n1 95370437 MGPNGMBONIGUTM-UHFFFAOYSA-N 362.393 2.668 0 50 FFAA CC1=CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CC1 244817129 SUSBREUSFHQAOQ-WKILWMFISA-N 355.438 2.598 0 50 FFAA COc1cncnc1NC(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 297461586 QCGSBQLDRVMWGB-UHFFFAOYSA-N 357.414 2.886 0 50 FFAA COc1ccc2oc(C)c(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c2c1 299753603 YTUWUOXANJAKCO-AWEZNQCLSA-N 361.394 2.846 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 299742455 JGMSNNHVUQHNLC-MRVWCRGKSA-N 352.228 2.876 0 50 FFAA CCN1CCN([C@@H]2CCN(C(=O)c3coc4cc(C)c(C)cc34)C2)CC1 184437508 CMESCWQLVTVYQS-QGZVFWFLSA-N 355.482 2.902 0 50 FFAA CCn1cc(CNC(=O)c2cccc(-c3ccc(NC4CC4)nn3)c2)cn1 534673107 ZIJZPQZVPRQWJD-UHFFFAOYSA-N 362.437 2.864 0 50 FFAA CCc1c(C)nn(CC(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1C 299778675 NDBGQWZMXVXOQY-IBGZPJMESA-N 368.525 2.976 0 50 FFAA Cc1ccccc1SCC(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 299778924 RQERFECXPINTSB-KRWDZBQOSA-N 369.490 2.790 0 50 FFAA Cc1nc2cc(CNC(=O)[C@H]3CCCN(c4ccccn4)C3)ccc2n1C 827736373 GPRVEDVECOPELP-KRWDZBQOSA-N 363.465 2.810 0 50 FFAA O=C(NCCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@H]1CCCO1 584904278 DOMSWSYBDLOIME-GUDVDZBRSA-N 357.450 2.650 0 50 FFAA Nc1nnc(CCNC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)s1 584892127 KXEPHCCOMAXYDJ-CQSZACIVSA-N 363.462 3.129 0 50 FFAA CCc1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)s1 952977621 NTVOHBQIVREFCF-UHFFFAOYSA-N 374.462 2.800 0 50 FFAA O=C(CCn1cnc2ccccc21)Nc1ccc(CC(=O)NC2CC2)cc1 952979750 PKHIXOLWVPTKES-UHFFFAOYSA-N 362.433 2.886 0 50 FFAA Cc1cccc(CN2CC[C@@H]3CN(C(=O)c4onc5c4CCCC5)C[C@@H]32)n1 1565509091 ZPKUEUHWFIKERC-BEFAXECRSA-N 366.465 2.603 0 50 FFAA C[C@H](C1CC1)n1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cn1 186420883 UDUYTJHDKOFGCA-CQSZACIVSA-N 363.421 2.717 0 50 FFAA Cc1[nH]c2ccc(C(=O)OCCN3C(=O)c4ccncc4C3=O)cc2c1C 170645965 OCRLJMMSHCQCIL-UHFFFAOYSA-N 363.373 2.633 0 50 FFAA CCOC(=O)CN(Cc1cc(=O)oc2cc(O)c(Cl)cc12)C1CC1 170619497 ZISBOMQLYUDTBW-UHFFFAOYSA-N 351.786 2.680 0 50 FFAA CC(C)CCNC(=O)C1CCN(C(=O)CN[C@H]2CCCC2(C)C)CC1 191855105 CZRAVBINFIFRQF-KRWDZBQOSA-N 351.535 2.556 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616127655 WMBGPPXRIFBWQC-WMZOPIPTSA-N 359.857 2.576 0 50 FFAA Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN3C3CCNCC3)s2)cc1 1529105194 XWNVICMBLAXAJD-INIZCTEOSA-N 371.510 2.668 0 50 FFAA CCN(CCOc1ccccc1Cl)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704303993 DYMBNCUJBXBRCI-UKPHBRMFSA-N 355.862 2.743 0 50 FFAA O=C(NN1CCOCC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 5048795 JCMZCVPEGJYRHX-UHFFFAOYSA-N 368.824 2.927 0 50 FFAA CC1CCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NC(C)C)c2=O)CC1 12099213 BTKUBKADZTUWSK-UHFFFAOYSA-N 373.497 2.974 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC)cc3)C2)nn1 12279117 ZNAGSRVYNMNNIE-KRWDZBQOSA-N 371.485 2.606 0 50 FFAA Cc1cccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1 12404209 PDLQPTQZTZEEKI-IBGZPJMESA-N 368.433 2.921 0 50 FFAA O=C(CCC(=O)c1ccccc1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12592157 OVBQXZJXGLDKAX-GOSISDBHSA-N 368.408 2.706 0 50 FFAA COC(=O)CCCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12711755 TVALREARBFWVMP-JOCHJYFZSA-N 372.509 2.887 0 50 FFAA COc1ccc(NC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 16286679 HRFCSAKBRFEKJO-UHFFFAOYSA-N 355.394 2.812 0 50 FFAA CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 16602288 ONCCUYUTGBYCNM-GFCCVEGCSA-N 355.276 2.817 0 50 FFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1 19772688 OQBBNHJNPTXYBN-NRFANRHFSA-N 354.494 2.861 0 50 FFAA Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 19792327 MAMCDQVRQWMPDU-HNNXBMFYSA-N 356.474 2.828 0 50 FFAA Cc1nc(N2CCN(C(=O)c3cccs3)CC2)cc(C(F)(F)F)n1 169772315 CDQORJHGMKKGLU-UHFFFAOYSA-N 356.373 2.828 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ncc(F)cc1F 223279285 DNUVKGMVZRMLDA-JDFRZJQESA-N 360.360 2.537 0 50 FFAA c1ccc(OCc2nc([C@@H]3CCn4ncnc4C3)n(-c3ccccn3)n2)cc1 1857677044 WCJNFBSEWVAOQZ-OAHLLOKOSA-N 373.420 2.563 0 50 FFAA CCn1cc(CN2[C@H]3CC[C@@H]2[C@](CC)(C(=O)N2C[C@H](C)O[C@H](C)C2)C3)cn1 1857698497 VAGHPPSTVLQZBV-UDKQVLDHSA-N 374.529 2.672 0 50 FFAA COc1ccccc1NC(=O)c1sc2ncn(CC(C)=O)c(=O)c2c1C 937684 ZTTJKFUGNGXWNN-UHFFFAOYSA-N 371.418 2.616 0 50 FFAA Cc1cc(Br)ccc1C(=O)N(CCC(=O)O)C1CCOCC1 237544492 IVOWTADNIQVHLG-UHFFFAOYSA-N 370.243 2.853 0 50 FFAA COc1cccc([C@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)c1 130047644 IBWHCGJBYVBLPS-LJQANCHMSA-N 352.390 2.979 0 50 FFAA C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4cncn4C)n3)cc21 1875259605 CUNUJEZTBWEAPV-SECBINFHSA-N 353.407 2.852 0 50 FFAA Cn1nc(O)cc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 1875294961 ZETWHGRSTOTNEP-LLVKDONJSA-N 368.256 2.606 0 50 FFAA C[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1cnccn1 1875270714 ATJSOGGLXSDBCL-CYBMUJFWSA-N 368.437 2.990 0 50 FFAA O=S(=O)(C1CCC(F)(F)CC1)N1CCC(N2CCCCC2)CC1 1875288688 XCDGDIIAAJKEIY-UHFFFAOYSA-N 350.475 2.844 0 50 FFAA C=CC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875385743 AJCIWUICJBBYOP-RKDXNWHRSA-N 359.373 2.505 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CC3(CCSCC3)C[C@H]2CO)cc1 1875380548 RTYGQYFLLUUIFM-INIZCTEOSA-N 360.479 2.531 0 50 FFAA O=C(NCc1n[nH]cc1C1CC1)c1ccc2ncc(Br)n2c1 1875313952 ZIEZQEWQTXMRLS-UHFFFAOYSA-N 360.215 2.627 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc2c(C3CC3)cccc2[nH]1 1875403238 SUJFFJMFMWLMGB-CFSSXQINSA-N 364.449 2.811 0 50 FFAA Cc1cc2[nH]c(C(=O)N3CC[C@H](C4CC4)[C@H]3c3nnc(O)n3C)cc2o1 1875401830 UAUGVVPJULABAU-ABAIWWIYSA-N 355.398 2.517 0 50 FFAA CC1(C)CNCC[C@H](NC(=O)NCc2c(F)cccc2-n2cccn2)C1 891943235 IZCRZZNZLVNLGP-AWEZNQCLSA-N 359.449 2.589 0 50 FFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c[nH]1 404348718 IEOOCAGJTRMMAJ-ULQDDVLXSA-N 353.466 2.807 0 50 FFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(Br)c2)C1 379251976 CNSDBENDYXUZTF-MNOVXSKESA-N 351.166 2.943 0 50 FFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)n1 332068620 AOHZMHITTWYBKG-VIFPVBQESA-N 362.238 2.863 0 50 FFAA C[C@@H](c1ccccc1Br)n1cc(CO[C@@H]2CCCNC2)nn1 2325772694 RVHVJJBAIGCNAQ-GXTWGEPZSA-N 365.275 2.919 0 50 FFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)Nc1cnn2cccnc12 2325810177 CHQQVQSMCCUMSY-HNNXBMFYSA-N 353.382 2.931 0 50 FFAA C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Nc1cc(Cl)cc(C(N)=O)c1 2325860272 BDMHRVLOUIDJAG-BDJLRTHQSA-N 361.829 2.725 0 50 FFAA Cc1ccc2c(C)c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)oc2c1 634089 KSSZCNDRFBEMPN-UHFFFAOYSA-N 358.419 2.627 0 50 FFAA CCOC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2N)cc1 937205 HTNMODMRXMIQLR-UHFFFAOYSA-N 355.423 2.523 0 50 FFAA COC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 1015684 REVJLUNGAAKXGM-JKSUJKDBSA-N 372.808 2.816 0 50 FFAA COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 1103952 ZZIPOKRFVGSKLF-QGZVFWFLSA-N 352.434 2.981 0 50 FFAA CCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 1128229 DHAQWDVYOUEWBS-HXUWFJFHSA-N 355.390 2.531 0 50 FFAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 2836256 IVTBQXKIOJWRAE-UHFFFAOYSA-N 350.465 2.668 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 6715350 NPRFPORHLJRTSB-PCHAPFSGSA-N 360.429 2.611 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1 56732074 BEURUUFKQQYDRC-HNNXBMFYSA-N 359.426 2.795 0 50 FFAA CCOc1ccc(N(CC(=O)N(C)c2ccccc2)S(C)(=O)=O)cc1 10285813 DDIARYPDAOWMOU-UHFFFAOYSA-N 362.451 2.514 0 50 FFAA CC[C@@H](C(=O)NCc1nc(C)cc(=O)[nH]1)n1cc(C(C)=O)c2ccccc21 55091016 NWKIRAFJAZJKMQ-INIZCTEOSA-N 366.421 2.503 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](c2nnc3ccccn23)C1 20746175 CUCKOBFNQCJSEH-HNNXBMFYSA-N 374.448 2.944 0 50 FFAA CN(C(=O)c1cc(CN2CCOCC2)on1)[C@@H]1CCCc2ccccc21 67894652 LMMIXASMSTYAQN-LJQANCHMSA-N 355.438 2.656 0 50 FFAA CCc1noc(CCNc2nccc(-c3cnn(-c4ccccc4)c3)n2)n1 20868395 LZWHZCHWXKZFCI-UHFFFAOYSA-N 361.409 2.929 0 50 FFAA Cc1cccn2c(CC(=O)NCc3ccccc3-n3ccnc3C)cnc12 65396226 YELSINHGOFXLMD-UHFFFAOYSA-N 359.433 2.996 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721645 DXBPGOBIUPLLRN-INIZCTEOSA-N 353.466 2.650 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)c1 67604349 BVVYCMBUWXYLKU-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1OCCc2ccccc21 137295573 FXVDYZFGWBCFEC-LJQANCHMSA-N 371.458 2.683 0 50 FFAA c1ccc2c(c1)OC[C@@H](Cn1ccnc1-c1cnc(N3CCCC3)nc1)O2 67966638 NEFWCURGLMGCBI-MRXNPFEDSA-N 363.421 2.780 0 50 FFAA COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 409444133 BLGXFZZNTVWLAY-RIEHRDFOSA-N 354.450 2.647 0 50 FFAA biogenic O=C(c1cc2sccc2[nH]1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67757248 FGKCBJBWPLUVKL-SWLSCSKDSA-N 370.430 2.949 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCCC[C@H]4C)nc3c(=O)n2C)c(C)o1 72478123 ZSYARVVMKXAEDI-GFCCVEGCSA-N 368.437 2.924 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc(OC)cc3F)CC2=O)c1 72129256 SXKFSZMJDPSBLQ-UHFFFAOYSA-N 358.413 2.687 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3c(C)ncc4c3CCNC4)n[nH]2)s1 72456611 GFOVQUQYTGUZBC-UHFFFAOYSA-N 367.478 2.726 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2nnsc2Cl)n1C 328642916 REHXUBFTDNMCPE-LBPRGKRZSA-N 353.879 2.617 0 50 FFAA Cc1c(NC(=O)c2cc(C(N)=O)cn2C)cnn1-c1cccc(Cl)c1 154271007 MMNXYHXQWGIZFQ-UHFFFAOYSA-N 357.801 2.524 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CCN[C@@H](c3cccc(F)c3)C1)CO2 328658980 RYQXXYOMGREHHK-QFBILLFUSA-N 370.424 2.559 0 50 FFAA CCCCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72127216 ATDWNBBCMVDVCB-MAODMQOUSA-N 356.466 2.994 0 50 FFAA C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)CN1Cc1ccccc1 329857087 YVKBOQSAQMLWDY-DNVCBOLYSA-N 372.490 2.658 0 50 FFAA N[C@H]1C[C@@H](c2nnc(CNCc3ccc4c(c3)CCCC4)n2C2CC2)C1 219561840 KEXVEHLTZDUJFG-IYARVYRRSA-N 351.498 2.986 0 50 FFAA Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1occ2c1CCOC2 375629601 IWJCUVYZZHVXSW-UHFFFAOYSA-N 355.438 2.665 0 50 FFAA C[C@@H]1NCCC[C@@H]1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 262851762 ZSXRXBUJDYZBBH-KXBFYZLASA-N 364.449 2.784 0 50 FFAA Cc1cc(C)c2[nH]c(CN3CCC[C@@]4(C3)CN(C)C(=O)O4)cc(=O)c2c1 72159398 SVAQYJPPZNUDBD-FQEVSTJZSA-N 355.438 2.562 0 50 FFAA COC(C)(C)C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71759536 DRXNEKIZPJSQND-QGZVFWFLSA-N 364.461 2.836 0 50 FFAA CCCNC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71419477 NZBYOTIEYIEXFM-HXUWFJFHSA-N 369.553 2.856 0 50 FFAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CC[C@@H](N)c2ccccc2)C[C@@H](C)O1 237615332 HBEANVDYCULMOO-KVPLUYHFSA-N 359.514 2.567 0 50 FFAA O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@H](O)C1 173061697 MMGMYFMGQCQAQS-JTQLQIEISA-N 351.756 2.539 0 50 FFAA O=C(NCc1ccco1)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 17076582 RHNLMMNMLNXGEK-CHWSQXEVSA-N 374.418 2.877 0 50 FFAA COC[C@H]1CCN(C(=O)CCCc2nc(-c3ccccc3OC)no2)C1 223349401 BSHOVKOSZSNUIQ-AWEZNQCLSA-N 359.426 2.563 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2[nH]ccc2c1 220344477 DRKZPTKWQHLCIZ-SJORKVTESA-N 357.435 2.729 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1C 426571476 KKCAWNWEEJZHCZ-KRWDZBQOSA-N 350.422 2.937 0 50 FFAA Cc1cccc(CN2CCN(c3cc([C@@H]4CCOC4)nc(C)n3)CC2)c1 426370904 DFOSRONUDNUNQJ-LJQANCHMSA-N 352.482 2.920 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1-n1cccn1)CO2 195166374 ZDDROPLOTKXZRS-KRWDZBQOSA-N 363.417 2.748 0 50 FFAA Cc1nc2c(NC(=O)N3CCC(c4nc(C(C)C)no4)CC3)cccn2n1 426475578 VIAPURABVJJKLH-UHFFFAOYSA-N 369.429 2.956 0 50 FFAA Cc1cn2cc(C(=O)NCc3noc(-c4c(F)cccc4F)n3)ccc2n1 82092797 IZNSQRSCRSXFCA-UHFFFAOYSA-N 369.331 2.901 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1 95523531 GUZJHACBAXDEDZ-UHFFFAOYSA-N 357.414 2.819 0 50 FFAA COCC(=O)N1CCC(C(=O)N(Cc2ccsc2)C2CCCC2)CC1 95498074 BKZJWMVDLZXCSV-UHFFFAOYSA-N 364.511 2.904 0 50 FFAA Cc1ccc([C@H]2CN(c3ncccc3C(N)=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95382890 BDKNYQLNWHMXKR-VAMGGRTRSA-N 362.477 2.556 0 50 FFAA CO[C@H](C)c1noc(CN2CCCN([C@@H]3C[C@@H]3c3ccccc3)CC2)n1 291288959 ZMHIRYGEVCHSDZ-KBAYOESNSA-N 356.470 2.841 0 50 FFAA c1cncc(-n2nc([C@@H]3CCOC3)nc2-c2scc3c2OCCO3)c1 96164675 GEZUXAOKOLBWKK-LLVKDONJSA-N 356.407 2.666 0 50 FFAA Cc1cnn(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)c1 91519026 WSHMVRWETGBJHO-HXUWFJFHSA-N 355.438 2.792 0 50 FFAA CCCn1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c(C)n1 91616869 ARVHZFNXOXQGDR-KRWDZBQOSA-N 364.453 2.990 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc(=O)c3ccccc3o1)C2 96150466 QBDRWXPWQNXWAA-CYBMUJFWSA-N 365.385 2.783 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 95509289 DQZKMZFBRPABHJ-SFHVURJKSA-N 369.513 2.982 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)on1 91461912 FDBPXZTZSVONJO-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1F)C2 95362350 CYDULFZOVFVYMP-HLIPFELVSA-N 363.477 2.565 0 50 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NCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72161048 HRAJYQCPNQWQSE-CEWLAPEOSA-N 359.489 2.733 0 50 FFAA O=C(CCC1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 72435677 CYMBUOKZXXOWMT-PKOBYXMFSA-N 355.482 2.654 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 237687173 AONOOZQVLUSLFO-UHFFFAOYSA-N 369.465 2.615 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1CCCO 82166792 IUGUMWPTFJSNCH-LJQANCHMSA-N 352.425 2.552 0 50 FFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)n1 288715592 DQHBCINZLDTCJO-DYVFJYSZSA-N 364.409 2.923 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 223907283 HBOQCDQEMIUCFC-ZDUSSCGKSA-N 372.808 2.533 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)CCc2scnc2C)n1 82120267 QTMAYFOZKJJIQF-UHFFFAOYSA-N 358.389 2.860 0 50 FFAA Cc1cn2cc(C(=O)N3CCN(c4ncnc5ccccc45)CC3)ccc2n1 82137115 SKUGHDGJVMVYTA-UHFFFAOYSA-N 372.432 2.548 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426504445 GOHKYNKLCQENPS-HNNXBMFYSA-N 356.426 2.942 0 50 FFAA C[C@H](NC(=O)Nc1cccc(-n2cncn2)c1)c1nncn1C1CCCC1 426582835 OKOHPIYSWZBTNF-ZDUSSCGKSA-N 366.429 2.857 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)O)n2C 95510793 UIDWKBUJDLYTKY-MRXNPFEDSA-N 370.380 2.752 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(Cc1cccc(Cl)c1F)CCN2C 91848749 BYFCDOIMYWAQBS-LJQANCHMSA-N 367.896 2.998 0 50 FFAA CC(C)c1n[nH]c2c1CN(C(=O)c1cccc(-c3cnc(N)nc3)c1)CC2 426739819 RPPZMJIWEJLIDA-UHFFFAOYSA-N 362.437 2.771 0 50 FFAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)Cc3ccc(Cl)cc3)C(=O)[C@@H]21 239287505 CXCGQKOAIMBUMY-DTDBQYNISA-N 372.852 2.891 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2cnc(N)nc2-c2ccccc2)s1 97696219 HKBNDHQPWONUGG-UHFFFAOYSA-N 368.462 2.730 0 50 FFAA CC(=O)N(C)c1ccc(-c2ccc(C(=O)N3CCN[C@H](C)C3)cc2)cc1 426549222 VVTYLWGXPYQTPS-OAHLLOKOSA-N 351.450 2.770 0 50 FFAA O=C(COc1cccc(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91965788 HUGCPGPWYWRTBZ-GOEBONIOSA-N 362.857 2.578 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCC(Cn2cccn2)CC1 95391935 FKXRUVZKNWYOGS-UHFFFAOYSA-N 356.470 2.627 0 50 FFAA Cc1cnn(CCCN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c1 91445211 XIFDKEQMBIZCOS-VQTJNVASSA-N 352.482 2.705 0 50 FFAA O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1Cc1cc(F)cc(F)c1 91643765 ABXVCBBJMSPOFI-UHFFFAOYSA-N 360.408 2.703 0 50 FFAA COc1ccc(CNC[C@H](O)CN2CCCC2)cc1OCc1ccccc1 237197056 YBPHWEIRAVYIOO-FQEVSTJZSA-N 370.493 2.821 0 50 FFAA CCc1ccc(S(=O)(=O)NC[C@H]2COc3c(cccc3OC)C2)s1 95374340 NPRFAWJOJZCENE-LBPRGKRZSA-N 367.492 2.849 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 92062324 PQKSHHHXPIRNQK-AWEZNQCLSA-N 374.393 2.623 0 50 FFAA CC1CCN(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)CC1 95387456 VYNRAAONSRDCOA-KRWDZBQOSA-N 366.483 2.541 0 50 FFAA CCCSCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 91536269 KZCUDWMKPYEEPT-GFCCVEGCSA-N 370.902 2.961 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1C[C@H]2CC[C@@H]1CN(C(C)=O)C2 91519445 DXDGHSRHHUSIKY-GXTWGEPZSA-N 351.834 2.823 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 97742790 FKOPNTOAEZSDPZ-UHFFFAOYSA-N 368.412 2.647 0 50 FFAA O=C(CCc1ccccn1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244734309 NDDSZJXQIUJRNS-PLMTUMEDSA-N 352.434 2.578 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccn(C(C)(C)C)c2)[C@H]2C[C@@H](O)C2)cn1 244900033 ZUWUIOKNUMXCBD-SOLBZPMBSA-N 357.454 2.889 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 299795418 KXMPXSOLUXXJEW-QGZVFWFLSA-N 369.465 2.957 0 50 FFAA O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(OC(F)F)cc1 670434026 XGNUQNQQOCQMHS-UHFFFAOYSA-N 371.409 2.759 0 50 FFAA COC[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1nnc(C)o1 952971278 RUDZZEJBJMUPGI-NSHDSACASA-N 353.419 2.673 0 50 FFAA C[C@@H](CN(C)Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N1CCOCC1 952975401 NIFNAUYLJQLUTL-HNNXBMFYSA-N 370.449 2.770 0 50 FFAA O=C(c1ccc2cccnc2c1)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565527222 GHSNEOMQAXUGSB-JTSKRJEESA-N 374.396 2.938 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)Cc3cc(F)ccc3F)CCO2)o1 275319320 IWZLVMFFKPDRID-CQSZACIVSA-N 351.353 2.614 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)cc(O)n1 276096846 WBRMTBHNJKEQOO-GOSISDBHSA-N 354.454 2.617 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cnn1 276391948 RNEMEFBTOZYUPR-CQSZACIVSA-N 367.384 2.994 0 50 FFAA CN(C(=O)CCc1ccnn1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190440055 ULAVAYVEFQKAAP-RDJZCZTQSA-N 368.264 2.776 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3cccc4c3CCC4)CC2)c(C)o1 194345847 QPKXLLYBOVXAOZ-UHFFFAOYSA-N 352.434 2.983 0 50 FFAA CC/C=C(\C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 194410878 RKOCHWWCAMHOAW-PJQLUOCWSA-N 350.484 2.621 0 50 FFAA Cc1ccsc1[C@H]1CCN(Cc2ccc(-n3cncn3)cc2)C[C@@H]1O 210376245 XSPSVOBIYJRTSE-ROUUACIJSA-N 354.479 2.988 0 50 FFAA O=C(c1cnc2c(c1)CCCC2)N1CCCN(Cc2cscn2)CC1 1529178888 TYTMPPKUUUEMNG-UHFFFAOYSA-N 356.495 2.765 0 50 FFAA Cc1cc(CN2CCC[C@@]3(CO)CN(Cc4nc[nH]c4C)CC[C@H]23)oc1C 215079695 SSOYLJWLXOFDSX-SFTDATJTSA-N 372.513 2.777 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC[C@H](C)OC)cc1 1704309584 XRASLBQISMOPPZ-ZDUSSCGKSA-N 359.426 2.715 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)CC12CCOCC2 1800414569 UJSYLVRTTVBHAW-HNNXBMFYSA-N 351.830 2.612 0 50 FFAA CC[C@H](C)NC(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1 12040370 ZYBJHKPHXWNRNJ-XOBRGWDASA-N 362.470 2.590 0 50 FFAA Cc1cccc(CNC(=O)c2cc(COc3cncc(Cl)c3)on2)n1 12318508 KABKTQKKFLBIJW-UHFFFAOYSA-N 358.785 2.935 0 50 FFAA O=C(CCCn1cncn1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 15066365 MLCCTAIFMUHINE-QGZVFWFLSA-N 362.437 2.709 0 50 FFAA O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3cccs3)C2)nn1 15070050 VYARNECLBCIGED-HNNXBMFYSA-N 359.499 2.849 0 50 FFAA Cc1ccc(CS(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 16579476 FJEVTCCHXXSOCL-UHFFFAOYSA-N 371.462 2.735 0 50 FFAA COC(=O)c1cc(I)c(NC(C)=O)cc1Cl 17111362 CIGRRTUPLGBKEU-UHFFFAOYSA-N 353.543 2.690 0 50 FFAA O=C(c1cncc(Br)c1)N1CCN(Cc2ccccc2)CC1 19890764 RFYSOVQOHGBFCG-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccsc4)CC3)nn2)n1 169777382 NXQAMSXWVQXZPV-UHFFFAOYSA-N 372.454 2.819 0 50 FFAA CCOc1cc(/C=C/C(=O)N2C[C@H](C)N[C@@H](C)C2)cc(Cl)c1OC 153752731 WOLFCCLISCEMKK-XKZLPGLHSA-N 352.862 2.969 0 50 FFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1cnc(CN2CCCC2)s1 220614413 RWLKQTXFIAXFIO-BXWFABGCSA-N 371.506 2.981 0 50 FFAA O=C(Nc1ccc(F)c(Cl)c1)N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857712204 GBUQSDDCQLVPSA-DVOMOZLQSA-N 353.825 2.852 0 50 FFAA CN1C(=O)C[C@@H](CNCc2cc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 328633905 SUUPFTKMZVHWPA-ORAYPTAESA-N 356.401 2.615 0 50 FFAA O=C(c1ncn(-c2ccccc2)n1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333789880 DCKBATMIVRIECM-SJORKVTESA-N 352.438 2.689 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cnoc1-c1ccccc1)C2 247974327 DZODVIDVCOIDQG-CVEARBPZSA-N 353.422 2.815 0 50 FFAA Cc1cncc(CNC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)c1 134499136 LQFHIUUCJPKQHM-UHFFFAOYSA-N 365.437 2.871 0 50 FFAA CC(=O)N1CCN(C(=O)c2nc(C)n3ccccc23)CC12CCCCC2 765911264 HLAZWLKCDKWFCU-UHFFFAOYSA-N 354.454 2.650 0 50 FFAA CN1CCN(c2ncccc2CNc2ncnc3c(F)cccc23)CC1 252503732 VGIHFGDAYXDDIL-UHFFFAOYSA-N 352.417 2.528 0 50 FFAA CCCNC(=O)c1ccc(NC2CCN(c3cc(CC)ncn3)CC2)nc1 267114467 RXOHZLMCJVNQNX-UHFFFAOYSA-N 368.485 2.655 0 50 FFAA Cc1[nH]nc2ncc(NC(=O)C3(C)CCN(c4ccncc4)CC3)cc12 1875268492 XQGJGIITJKLWHD-UHFFFAOYSA-N 350.426 2.907 0 50 FFAA CC(C)c1cc(N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875267564 LOQXUQYQVKSPPN-WCQYABFASA-N 373.423 2.559 0 50 FFAA C=CC(=O)N(Cc1c(C)nn(-c2ccc(F)cc2)c1C)C[C@@H]1COCCO1 1875324758 LXENXKFRYMDBQN-GOSISDBHSA-N 373.428 2.558 0 50 FFAA Cc1cc(CN)cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)c1 1875340428 AOPZLHLVXWUAFR-UHFFFAOYSA-N 361.445 2.904 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)C1 1875370985 KMAYDVGIVFFQNV-JSGCOSHPSA-N 362.857 2.877 0 50 FFAA C[C@@H]1C[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)CCN1C(=O)c1ccncc1F 1875406631 ITLKJTBTADPMHU-IGMJJTELSA-N 359.445 2.910 0 50 FFAA CO[C@H]1CCCCN(CC(=O)Nc2cccnc2-c2ccccc2)C1=O 888076374 BAHYHFIMIVGMIK-KRWDZBQOSA-N 353.422 2.715 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)NCCc1nc(Cc2ccccc2)no1 2100473532 QDTGMZIQKAPEMR-UHFFFAOYSA-N 366.421 2.857 0 50 FFAA O=C(c1cccs1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697656 HKAMAJDFHQXSKM-UHFFFAOYSA-N 366.450 2.639 0 50 FFAA COCCOC1(CNC(=O)C2CC(C)(c3ccccc3)C2)CCOCC1 2325796219 BIRYDZQPCNVDBD-UHFFFAOYSA-N 361.482 2.683 0 50 FFAA CC(=O)NCCC1CC(N=c2[nH]c3cccc(Br)c3o2)C1 2325867413 VKDPYSBJHAOLOV-UHFFFAOYSA-N 352.232 2.729 0 50 FFAA O[C@@H](CNCc1cccc2ccccc12)Cn1cc(Br)cn1 2325870307 RVRGHATZDXSBRI-INIZCTEOSA-N 360.255 2.950 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(N)=O)c1C 671553 JNQZNQHYIWDNJQ-UHFFFAOYSA-N 350.371 2.724 0 50 FFAA O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)O)c1 692359 XNUMMVFWNYQDKB-UHFFFAOYSA-N 355.755 2.537 0 50 FFAA COc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1OC 2469413 JRKYDWQIOQCNNO-LLVKDONJSA-N 357.362 2.915 0 50 FFAA N=c1[nH]c2cccc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)c2s1 2356153913 ZYERYFGIDDIUHD-GOSISDBHSA-N 353.451 2.552 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1 4750315 DPSNXHZMAABUQO-UHFFFAOYSA-N 360.435 2.755 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 6743988 YGPSRGNGJVUVFK-LBPRGKRZSA-N 359.879 2.515 0 50 FFAA COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)CCCC(C)=O 55226937 YCIOAMVJZHRQKU-AWEZNQCLSA-N 351.443 2.827 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3cn4ccsc4n3)[C@@H](C)C2=O)c1 55042637 JUNMYMPQOCLUQW-AWEZNQCLSA-N 368.462 2.577 0 50 FFAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9299729 QTXMWXSORYCFRR-UHFFFAOYSA-N 356.447 2.560 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1nnc(S)n1C1CC1 112904074 JWJXPXICAVBWFA-MRVPVSSYSA-N 370.837 2.778 0 50 FFAA CN(C)[C@@H](CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1Cl 416842085 IQRPNPVMGOGLAM-MSOLQXFVSA-N 360.889 2.942 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CN(C)Cc3nc(C)cs3)C2=O)c1 55060634 VURZMWNQPZPPPM-HXUWFJFHSA-N 373.522 2.745 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 101460784 WJXCEOWPDQWNCA-LAQRGFTBSA-N 370.449 2.998 0 50 FFAA Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1C 118555053 WXHOANOBJUEOAV-QGZVFWFLSA-N 374.466 2.715 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(-c3ccoc3)nc2)CC1 67895461 VRPMSNQZRLCJLP-UHFFFAOYSA-N 353.422 2.816 0 50 FFAA COc1cc(-c2noc(CS(=O)(=O)C[C@H]3CCCCO3)n2)ccc1C 137133387 NPPUHBQJMCCLOV-CQSZACIVSA-N 366.439 2.538 0 50 FFAA CC(=O)NCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67896165 WSTNTYJLAHDVJL-UHFFFAOYSA-N 374.824 2.570 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC2CCCCC2)nn1 12317814 WVSTYBRUCUKWPR-UHFFFAOYSA-N 356.474 2.733 0 50 FFAA CCOc1ccccc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 32593825 FVNJSENLHLXDLL-IBGZPJMESA-N 354.450 2.889 0 50 FFAA COc1cccc2c1CC[C@@H]2NC(=O)c1cnn(C2CCOCC2)c1C 120020087 MUVAJXLAIIGIHB-SFHVURJKSA-N 355.438 2.969 0 50 FFAA COc1cccc(C(=O)Nc2ncn(Cc3ccccc3C)n2)c1OC 2799998 MTZVACDICMCTMZ-UHFFFAOYSA-N 352.394 2.904 0 50 FFAA COc1ccc(-c2cnnc(N(C)C[C@H]3CCN(CC(C)C)C3)n2)cc1 12058628 CTMPIRGSLCLVQQ-MRXNPFEDSA-N 355.486 2.961 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)CCc2cccs2)CC1 33202753 MWLVHPFBBYGGAH-UHFFFAOYSA-N 358.463 2.674 0 50 FFAA O[C@@H](Cn1ccnc1-c1cc2n(n1)CCNC2)c1cc2ccccc2s1 72426884 BDKPMNFVBCETQS-INIZCTEOSA-N 365.462 2.798 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 72454182 ONTYJFQARRXQDG-UHFFFAOYSA-N 372.509 2.865 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)CSc2nccn2C)CC1 72422820 XBICGLCKZCJQKN-UHFFFAOYSA-N 357.479 2.662 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](Nc2ncnc3c2cnn3C(C)(C)C)CCO1 328618736 DZRLNTUGEBQDHR-SWLSCSKDSA-N 355.446 2.647 0 50 FFAA CC(C)CN(C)C(=O)[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCO1 72421353 UFBHPXGEYNCTEP-IBGZPJMESA-N 374.529 2.840 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1ccc(N(C)C)cc1)C2 76141258 BTYZPEOCJRQHST-KRWDZBQOSA-N 354.450 2.671 0 50 FFAA COCc1ncsc1C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 367276436 CFAKZBQZQFXKGF-MRXNPFEDSA-N 371.462 2.878 0 50 FFAA Cc1nc2c(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cccc2[nH]1 71712266 XXPVUKUZXZULAN-GOSISDBHSA-N 368.481 2.980 0 50 FFAA CC(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 333072560 GUNUNGWAAJAYFI-HZPDHXFCSA-N 364.490 2.560 0 50 FFAA Cc1ccc(-c2nc3sccn3c2CN2CC[C@H](CO)[C@H](O)C2)cc1 72149773 QMPBLOXPOPVINN-NVXWUHKLSA-N 357.479 2.546 0 50 FFAA Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCCC[C@H]1C(=O)O 128587752 UQURAOITPIFQQC-INIZCTEOSA-N 361.829 2.973 0 50 FFAA Cc1cc(N2CCC3(CC2)C(=O)N(C)c2ccccc23)n2nc(C)cc2n1 72428061 XIPVWVLIUXPJKN-UHFFFAOYSA-N 361.449 2.861 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 378073998 UENFKMYOMMARDL-IBGZPJMESA-N 360.433 2.706 0 50 FFAA Cn1ccc2ccc(NC(=O)NC3CCN(CC4CC4)CC3)cc2c1=O 284728095 BJFCCBZBHJCZHM-UHFFFAOYSA-N 354.454 2.534 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@@H]2C)c(O)c1 82137370 XPXPSKFUZUYSBD-LBPRGKRZSA-N 374.824 2.932 0 50 FFAA Cc1nn(C)c2ncc(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)cc12 176297410 YAQHXMCBWFSECE-HNNXBMFYSA-N 369.856 2.939 0 50 FFAA CN(Cc1ccon1)C(=O)NC[C@@H]1CCCN(CCc2ccccc2)C1 426511760 SHAWATGKICMTBU-SFHVURJKSA-N 356.470 2.771 0 50 FFAA C[C@@H](C[S@@](C)=O)NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 288054211 FUVLDFZXOFLQMI-UOXLDJKESA-N 365.474 2.963 0 50 FFAA Cc1nc(C2CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)CC2)n[nH]1 426563221 OTHJMLBBYLAUDJ-UHFFFAOYSA-N 370.844 2.972 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cc(C)no2)CC1 82106761 OQTVFTCXYRAXFN-UHFFFAOYSA-N 358.490 2.570 0 50 FFAA O=C(O)COc1ccccc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1 91664860 UUZGCJKJADLLCT-UHFFFAOYSA-N 372.465 2.517 0 50 FFAA CC(C)Cc1nc(CN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)no1 92046194 PBGCLBPAMYBMTH-HXUWFJFHSA-N 360.502 2.883 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1OC 95357727 IWGAVJOHECTMPJ-IBGZPJMESA-N 371.433 2.813 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)NCc3cncn3CC(C)C)c2)n1 96153181 KXADAOVBPFDZPW-UHFFFAOYSA-N 368.445 2.534 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N(C)CCN2CCCC[C@@H]2C)c1 96165451 CLQSTGJPDLWTPA-HNNXBMFYSA-N 362.474 2.610 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(Cl)cc1C)C2 91664937 VCTKGVCVOKJNNM-GOEBONIOSA-N 364.873 2.887 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)c1 91872308 JCCNBDBYSBXFMD-INIZCTEOSA-N 372.465 2.621 0 50 FFAA CC(C)n1ccnc1[C@@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 95360535 KBOCKHIYOHZNHF-MRXNPFEDSA-N 368.485 2.874 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2C2CCCCC2)[C@@H]1c1ccc(F)cc1 97528050 GERHDJXKTYVEQC-GOSISDBHSA-N 370.428 2.910 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)CN1C[C@@H](c3ccccc3)CC1=O)C2 95512754 KIWSQXFCIFMOBS-IBGZPJMESA-N 364.445 2.596 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)cn1 91757086 RHGCMFKMFZTEFR-QGZVFWFLSA-N 365.437 2.982 0 50 FFAA Cc1nc(C)n(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 95383856 YGMAMRBNJXSJAA-UHFFFAOYSA-N 372.432 2.935 0 50 FFAA C[C@](O)(CCCO)CNC(=O)Nc1cc(F)c(C(F)(F)F)c(F)c1 97813687 NXIPXSLDZPAMEP-ZDUSSCGKSA-N 356.291 2.629 0 50 FFAA O=C1C[C@@]2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)Oc2ccccc21 97568852 JXDHEFHDQSPKOF-OAQYLSRUSA-N 374.400 2.722 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)Cc1cc2c(cc1Cl)OCCO2 244626865 FUCNAUUMYMYQCQ-UHFFFAOYSA-N 350.802 2.917 0 50 FFAA Cc1cn2c(=O)cc(CN3CCC(CCn4cccn4)CC3)nc2s1 252504516 VJRNRFZCGUDOSX-UHFFFAOYSA-N 357.483 2.563 0 50 FFAA NC(=O)CC1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 299079369 QOLGDQUBAXVYFS-HXUWFJFHSA-N 352.434 2.921 0 50 FFAA CN(Cc1nccs1)C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 534633637 NTOXPDMZCNADQO-AWEZNQCLSA-N 362.474 2.946 0 50 FFAA CN1CCN(C2(CNC(=O)c3cc(F)ccc3Cl)CCCC2)CC1 534631789 FKEARSIXIRPMSA-UHFFFAOYSA-N 353.869 2.769 0 50 FFAA Cc1cccc2nc(CNC(=O)[C@H]3CC(Cc4ccc(F)cc4)=NO3)cn12 299767192 HEMJILSKOVEIMX-GOSISDBHSA-N 366.396 2.786 0 50 FFAA Cc1nn(CCNC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c(C)c1C 584901905 FXZQGHSQXZZRNI-QGZVFWFLSA-N 369.469 2.508 0 50 FFAA CCc1nnc(CN(C)C(=O)c2cccc(-c3ncc(F)c(OC)n3)c2)o1 584895400 OIDULAZHOJUAJS-UHFFFAOYSA-N 371.372 2.509 0 50 FFAA O=C(O)CC[C@@H]1CN(Cc2ccccc2Cl)CC[C@@H]1N1CCOCC1 1076095504 OVBCJIPGUSJEML-AEFFLSMTSA-N 366.889 2.728 0 50 FFAA O=C(NS(=O)(=O)c1cccc(Br)c1)C1CC2(CCC2)C1 408496082 GAHUCLBNPNLAPD-UHFFFAOYSA-N 358.257 2.834 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)[nH]1 1565527299 LVRDKSODMHSITA-LPHOPBHVSA-N 367.497 2.884 0 50 FFAA COC(=O)[C@H]1CC12CCN(C(=O)Nc1cc(F)c(OC)cc1C)CC2 274927637 WOFNCHLZFSXXFH-GFCCVEGCSA-N 350.390 2.950 0 50 FFAA CN1C(=O)CCc2cc(CNC[C@@](C)(O)c3ccc(F)cc3F)ccc21 187241122 GHOXASSZQXCXTA-HXUWFJFHSA-N 360.404 2.871 0 50 FFAA O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)OCCO2 187663205 POYZMIIOWITRHH-WBMJQRKESA-N 359.344 2.671 0 50 FFAA COc1ccc(NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1O 194367622 WWWHYZPOJOXIKP-KRWDZBQOSA-N 354.406 2.875 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCC(O)CC1 194548222 CUEKQSNKWVMWNF-QHAMSDLMSA-N 371.264 2.766 0 50 FFAA Cc1noc(C)c1C(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616073546 AWFQDPRMUJBOAJ-YJBOKZPZSA-N 351.406 2.827 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(Cl)cc(OC)c3)CCN21 1616074434 CDWSGLQKSJMLPA-CVEARBPZSA-N 352.862 2.674 0 50 FFAA Cc1cccc2nc(CN(C)C[C@@H]3CCN(c4ccccc4)C3)cc(=O)n12 1529196678 DFMIAFAFDMXPHL-SFHVURJKSA-N 362.477 2.961 0 50 FFAA CCc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n(C)n1 1529155677 YQARMOKNVIBFHT-DNVCBOLYSA-N 364.449 2.518 0 50 FFAA COc1ccc(OC)c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c1 213215365 CFMXSLNDPSMKJO-AEFFLSMTSA-N 358.482 2.927 0 50 FFAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccc2)O[C@H]1c1ccccc1 1534067600 VKZKOTVLMSTFDH-XHVUQVIVSA-N 368.385 2.647 0 50 FFAA c1ccc(Cc2cc(C3CCN(CC[C@H]4COCCO4)CC3)n[nH]2)cc1 1800415987 AVGULWPUFDJRIL-FQEVSTJZSA-N 355.482 2.985 0 50 FFAA CC(C)c1nccc(C(=O)N2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)n1 1772707982 ACMDGUCOPDVBHS-GCJKJVERSA-N 364.493 2.894 0 50 FFAA COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 5388198 KYFYAPLWAAVUIZ-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1C 12318323 JWOKPTSFZYKGRM-QGZVFWFLSA-N 366.421 2.795 0 50 FFAA COC(=O)[C@@H](NC(=O)c1coc(COc2ccccc2)n1)c1ccccc1 12583286 PGTROPWZYJFZGP-SFHVURJKSA-N 366.373 2.898 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)CC2)cc1 19148032 VFVIDXFGWBIZFU-UHFFFAOYSA-N 373.456 2.828 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 219601062 VYDBZTMQIRMLDF-SIXWZSSISA-N 371.506 2.850 0 50 FFAA O=C(NCCc1sccc1Br)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 1857530151 CXDWVAXOLAMBFA-KZWBYHQPSA-N 373.316 2.759 0 50 FFAA O=C(c1ccsc1)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CC=CC3)C2)C1 1857686393 UNBKGYXVPFMVKE-XLIONFOSSA-N 374.506 2.530 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@]23CC[C@H]1O3 1857714919 SCAXBDGUZKGXEO-ZOMKSWQUSA-N 369.387 2.610 0 50 FFAA COc1ccc(Cc2nnc(NC(=O)c3cccnc3)s2)cc1OC 1857717487 VNQDUEREQYKEAM-UHFFFAOYSA-N 356.407 2.793 0 50 FFAA CCc1ccsc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328644381 ZFVTYKNARLGNJB-INIZCTEOSA-N 372.494 2.914 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N(C)C1CCNCC1 125384222 LASMKJFIVTXXDG-SNVBAGLBSA-N 359.239 2.566 0 50 FFAA CN(C)C(=O)c1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)[nH]1 237077114 DLCDOXKAJUQIBH-LJQANCHMSA-N 355.438 2.729 0 50 FFAA Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 451116981 TXGLNEGXGQTBQL-AWEZNQCLSA-N 367.280 2.973 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)ccc1F 241408986 NDPOOQGYGSVOMR-UHFFFAOYSA-N 356.350 2.733 0 50 FFAA CCn1cc(CN2C[C@@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@@H]3C2)cn1 249697546 UXENOPAKBRFEKB-MOPGFXCFSA-N 372.444 2.680 0 50 FFAA CN(C(=O)c1ccnn1C)[C@H]1CCOc2ccc(Br)cc21 364120571 LVDCJSMPAXCCPA-LBPRGKRZSA-N 350.216 2.778 0 50 FFAA O=C(NOCC1CCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O 856346197 ZFPLESQHERYHGN-CQSZACIVSA-N 367.243 2.650 0 50 FFAA Cc1nc(SC2CCCC2)sc1CC(=O)N[C@@H]1Cc2cncn2C1 857884235 FLBQETLVJMXBGR-GFCCVEGCSA-N 362.524 2.966 0 50 FFAA C[C@H](CNC(=O)NCc1ccccc1C(F)(F)F)CN1CCCC1=O 1875252781 XJZKBPGAWPCOKO-GFCCVEGCSA-N 357.376 2.763 0 50 FFAA CC(=O)NCc1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1 1875291393 XMVFAOSDQGBIFC-QGZVFWFLSA-N 354.406 2.595 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)[C@H]1CCNC1 1875314951 BPENQEUPFLOSJW-OFQRWUPVSA-N 370.522 2.843 0 50 FFAA Cc1nn(CC(=O)Nc2cccc3nsnc23)c(C)c1Br 1875357402 FPTCUTIOUITOIV-UHFFFAOYSA-N 366.244 2.906 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3-n3ccnc3)nn(C)c21 1875403900 JUCPLRBLRGPXPJ-KGLIPLIRSA-N 365.437 2.558 0 50 FFAA CC(C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 888102377 RBHTWUFCMHHBFG-SWLSCSKDSA-N 352.456 2.613 0 50 FFAA O=C(Cn1cc(-c2cccc(Cl)c2)nn1)NCCOc1cccc(F)c1 2325776429 MFAWEWMUOUOQCV-UHFFFAOYSA-N 374.803 2.933 0 50 FFAA O=C1CC[C@@H](CN2CCc3ccc(Br)cc3CC2)CCN1 2325779227 PYAJDRQMEAUJFC-CYBMUJFWSA-N 351.288 2.766 0 50 FFAA COc1ccc2cc(NC(=O)c3[nH]c(C4CCNCC4)nc3C)ccc2n1 2325795426 FCNCUTJQJNQDCT-UHFFFAOYSA-N 365.437 2.994 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(Cc2nc(Br)cnc2N)C3)cc1 2325802612 PXSKDTMGWGLGDL-SUMWQHHRSA-N 359.271 2.903 0 50 FFAA C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H](O)CC12CCN(C)CC2 2325810901 MTCXNSPDQJGJMF-GDBMZVCRSA-N 350.890 2.576 0 50 FFAA COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc(OC)c1OC 8983790 GHRNOBUOWKUCAI-SNVBAGLBSA-N 372.377 2.684 0 50 FFAA biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(F)(F)F 670531 PLTSFYXDNLGOQL-UHFFFAOYSA-N 350.362 2.752 0 50 FFAA CCNc1nc(NC(C)(C)C)nc(OCCNC(=O)Nc2ccccc2)n1 2852658 DHZRSTOUQRQDKX-UHFFFAOYSA-N 373.461 2.714 0 50 FFAA C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CCCN(C2CCC2)C1 248402590 NKCIYWACFJWKMX-BSWVEEBUSA-N 361.530 2.896 0 50 FFAA CCc1n[nH]c(C(=O)NCc2nnc(C(C)(C)C)s2)c1Br 279531969 SIUIKGHGQXSRHP-UHFFFAOYSA-N 372.292 2.814 0 50 FFAA CN(Cc1nc(COc2ccccc2)no1)C[C@H]1COc2ccccc2O1 55132024 VFIJFBXNLPTPNX-INIZCTEOSA-N 367.405 2.920 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccco2)C1 56732075 BEURUUFKQQYDRC-OAHLLOKOSA-N 359.426 2.795 0 50 FFAA CCC1=NO[C@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)C1 67847109 HVFHQOUZHAKFRB-IBGZPJMESA-N 364.449 2.815 0 50 FFAA Cn1cc([C@H]2c3nc[nH]c3CCN2Cc2cccn2-c2nccs2)cn1 67947823 YWKVOFDMNPKIQP-KRWDZBQOSA-N 365.466 2.538 0 50 FFAA O=c1c2c3c(sc2nc2sc(CN4CCOCC4)cn12)CCCC3 20266268 CVEXCQRTGUXYCE-UHFFFAOYSA-N 361.492 2.682 0 50 FFAA Cc1ccc(-c2nnc(CN[C@H](C)CN3CCc4ccccc4C3)o2)n1C 65467033 SQBUZEYAONWVCI-OAHLLOKOSA-N 365.481 2.920 0 50 FFAA O=C(CN1CCC[C@H]1c1ccccc1)NC[C@H]1COc2ccccc2O1 247805951 ZHWGVBHWKNPDLB-ROUUACIJSA-N 352.434 2.780 0 50 FFAA O=C(Cn1ccc(-c2cccc(-c3nccs3)c2)n1)NC[C@H]1CCCO1 20601696 NSECNNRHIWRIGR-MRXNPFEDSA-N 368.462 2.969 0 50 FFAA O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCc1ccco1 20533980 OLXOTYCRMPDJKE-UHFFFAOYSA-N 363.461 2.867 0 50 FFAA CS(=O)(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)C1 432974503 SJYQSZWUJBKLKJ-LLVKDONJSA-N 364.389 2.690 0 50 FFAA C[C@H](C(N)=O)N(C)Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1 67789148 DCYOAEPGXQNNCZ-GFCCVEGCSA-N 368.462 2.854 0 50 FFAA COCC(=O)N1CCC(C(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 215826614 KKZFOXLEWYEAMI-UHFFFAOYSA-N 364.873 2.720 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cc(C)ccc2C)c1 2763076 MCLCMMHXSQYFQL-UHFFFAOYSA-N 371.389 2.894 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)c2sccc2C)CC1 328627034 FRZBZRRPNQRVFE-KRWDZBQOSA-N 372.494 2.890 0 50 FFAA COC(=O)c1ccc(N2CCN(Cc3ccc(O)cc3OC)CC2)cc1 72419139 JKNRXWUJLCCQSP-UHFFFAOYSA-N 356.422 2.510 0 50 FFAA CC[C@H]1CN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)CCN1C(C)C 72127207 JTHZDVKYDMOQFB-KRWDZBQOSA-N 372.469 2.828 0 50 FFAA CN(Cc1cccc2nccn12)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328652340 WJGQMSIVPMDUQK-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA O=S(=O)(c1cnc2n1CCC2)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 328737563 LSQHRGYKFRSYSS-LLVKDONJSA-N 363.405 2.573 0 50 FFAA COc1cc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)ncn1 71738596 GXBOSKYTJKCIJQ-KRWDZBQOSA-N 372.444 2.888 0 50 FFAA Cc1nc2c(c(NC[C@H]3CCOC3)n1)CCN(Cc1cccs1)CC2 72467919 RKDLDGJRWPYMKR-OAHLLOKOSA-N 358.511 2.896 0 50 FFAA CS(=O)(=O)CC1CCN(Cc2csc(Cc3ccccc3)n2)CC1 429249533 BRHZWHLHDRYPKZ-UHFFFAOYSA-N 364.536 2.991 0 50 FFAA Cc1ccccc1-c1ncc(CN2CCC[C@H]2C(=O)N2CCOCC2)s1 215316607 VVJQUGONRVZAAA-SFHVURJKSA-N 371.506 2.942 0 50 FFAA O=C(CCc1ccc2ccccc2n1)NCC(=O)NCCc1ccccc1 486000210 FTASNKVRPGVUGK-UHFFFAOYSA-N 361.445 2.643 0 50 FFAA COCCn1ccc(NC(=O)c2cncc(-c3ccc(OC)cc3)c2)n1 126800807 XNIKAGPDMKQYEQ-UHFFFAOYSA-N 352.394 2.852 0 50 FFAA COc1cc(CN2CCCC[C@@H]2CN)ccc1OCCN1CCCCC1 216354963 QEWIGXGUYMBLPZ-LJQANCHMSA-N 361.530 2.873 0 50 FFAA CCCc1ncncc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 215355966 MVXWTRXYLRXUSZ-UXBLZVDNSA-N 350.466 2.900 0 50 FFAA c1cncc(COC2CCN(Cc3cnc(N4CCCC4)nc3)CC2)c1 72152014 HRLZWAIPDRKQFH-UHFFFAOYSA-N 353.470 2.653 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)/C=C/c1cccc(Br)c1 237632950 NZMGIBBKIANIHU-HHPSJXNDSA-N 359.289 2.561 0 50 FFAA CC(C)c1noc(CCNc2nc(-c3ccncc3)nc3c2cnn3C)n1 72169504 ABSNQGLBGXKRFJ-UHFFFAOYSA-N 364.413 2.586 0 50 FFAA Cc1csc([C@H](NC(=O)NC2CCC(C(=O)O)CC2)C(F)(F)F)n1 262986234 CSPHTURXNPNVIO-RTBKNWGFSA-N 365.377 2.998 0 50 FFAA O=C(O)CN(C(=O)/C=C/c1cc(Br)cs1)C1CCOCC1 238106308 SZFADJXTIBIDEY-OWOJBTEDSA-N 374.256 2.616 0 50 FFAA CCc1ccc([C@H](COC)NC(=O)N2CCC(c3nc(C)no3)CC2)o1 173515559 FSDRHSIDPSLNHQ-HNNXBMFYSA-N 362.430 2.810 0 50 FFAA CN(CCO)C1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 426541297 JZGIDMHCOFEFBS-UHFFFAOYSA-N 374.312 2.634 0 50 FFAA Cc1oc(C(=O)N2CCc3ccc(Cl)cc32)cc1S(=O)(=O)N(C)C 176591167 UROXOIIZKKODSW-UHFFFAOYSA-N 368.842 2.695 0 50 FFAA c1ccc2c(c1)CC[C@H](N1CCN(Cc3nc(CC4CC4)no3)CC1)C2 19219552 IFGPNICSHITZKL-IBGZPJMESA-N 352.482 2.697 0 50 FFAA COc1ccnc(-c2cccc(C(=O)NCC[C@H](C)n3ccnc3)c2)n1 426475605 YGADDVPPLOWHJG-AWEZNQCLSA-N 351.410 2.730 0 50 FFAA O=C(CCCC(=O)N1CCCO[C@H](CN2CCCC2)C1)c1ccccc1 221431864 GAXZYJYLXVOUAM-LJQANCHMSA-N 358.482 2.753 0 50 FFAA CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95369145 BRQDGHFWRPMEJO-RBUKOAKNSA-N 352.482 2.569 0 50 FFAA CCc1nc(CN2CCC[C@H](c3nccn3Cc3cscn3)C2)no1 95376858 WUCZKSDHWLHHHR-ZDUSSCGKSA-N 358.471 2.713 0 50 FFAA O=C(Nc1cccc(-n2ccnn2)c1)N1CCCN2c3ccccc3C[C@H]2C1 290568063 ZRKRSUUIKBQNSK-IBGZPJMESA-N 374.448 2.936 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc(OCc2ccco2)cc1 97713701 YXPATYJYLAWMLI-ROUUACIJSA-N 359.426 2.699 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95517440 YFKMQSPOZCHTTB-ZDUSSCGKSA-N 371.441 2.942 0 50 FFAA Cc1nc(NCc2cc3n(n2)CCN(CC(C)C)C3)c2nc(C)oc2n1 95358143 JEEBBCIBVXOVRJ-UHFFFAOYSA-N 355.446 2.515 0 50 FFAA COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1 96161904 UYURBIUOWMNHIM-UHFFFAOYSA-N 353.401 2.989 0 50 FFAA Cc1ccc2[nH]c(CN3CCC([C@H](O)c4nccn4C)CC3)cc(=O)c2c1 91620702 OJGUQDSSSPPBSW-FQEVSTJZSA-N 366.465 2.516 0 50 FFAA CN1CCN(Cc2ccc(-c3ncnn3C3Cc4ccccc4C3)o2)CC1 91746862 CRLURYQGWWSORC-UHFFFAOYSA-N 363.465 2.625 0 50 FFAA CCc1nccn1CCCNC(=O)Nc1cccc(-c2nnc(C)[nH]2)c1 96164845 VGHGXSYBEJPTSH-UHFFFAOYSA-N 353.430 2.751 0 50 FFAA CNC(=O)c1cc(NC(=O)NCc2cc(CC(C)C)on2)ccc1OC 95513239 HPLJGRGMQMAWBY-UHFFFAOYSA-N 360.414 2.563 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)NCc2ccc(C)cc2)CC1 92038649 ZFOUCLFKHNKPFN-UHFFFAOYSA-N 356.470 2.927 0 50 FFAA CC(C)CNC(=O)CNC(=O)COc1ccccc1Cc1ccccc1 1324856526 GHMOXTXQYFVIOJ-UHFFFAOYSA-N 354.450 2.545 0 50 FFAA COc1ccc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc1C(=O)O 299747767 DZCDIFGSIAIKSL-SFHVURJKSA-N 355.390 2.714 0 50 FFAA CN(C)C[C@@]1(CO)CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1 534589491 HFJULAXQDMSHLX-KRWDZBQOSA-N 374.312 2.839 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)N[C@@H](C)c3nncn3C(C)C)[nH]c12 534585451 NUGDGEJBZKAKRF-AWEZNQCLSA-N 369.473 2.989 0 50 FFAA COc1nccnc1-c1cccc(C(=O)N(C)[C@@H](C)Cc2cnccn2)c1 299788913 XBFOPFGYNDOFGX-AWEZNQCLSA-N 363.421 2.645 0 50 FFAA Cc1nnc(SCCCNC(=O)Nc2cc(C3CC3)nn2C)s1 299797467 RNOCQYKQSJQIDJ-UHFFFAOYSA-N 352.489 2.761 0 50 FFAA CCOc1cccc(-c2cc(-c3c(C)nn(C)c3C)nc(CC(N)=O)n2)c1 823391928 YQHBZDCMUPOILI-UHFFFAOYSA-N 365.437 2.587 0 50 FFAA Cn1cc(SCC(=O)NCCc2nc(C3CC3)no2)c2ccccc21 670451540 FMLWHQWAFPBWJU-UHFFFAOYSA-N 356.451 2.890 0 50 FFAA CCN(CC)c1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)cc1 1565510097 SYAZHWYWJLSPGK-YRPNKDGESA-N 357.498 2.514 0 50 FFAA COCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)o1 1565528422 ZZYFKOSBPDQXEN-CVEARBPZSA-N 373.453 2.767 0 50 FFAA CC(C)c1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)O)cs2)cc1 268963790 BFNBICMGSXRFBT-HNNXBMFYSA-N 360.435 2.859 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2=O)[C@@]12CCCO2 273684824 KUYFXRMIQFCRNQ-HLIPFELVSA-N 373.453 2.662 0 50 FFAA CC1(C)COc2c(C(=O)NCc3cccc(N4CCOCC4)n3)cccc21 278776688 PZGXAUJVUREBHW-UHFFFAOYSA-N 367.449 2.518 0 50 FFAA CCn1c(S)nc2cc(C(=O)N[C@H](C)CC(C)(C)OC)ccc2c1=O 170640975 FXEUBTHFBAWLHF-LLVKDONJSA-N 363.483 2.639 0 50 FFAA O=C(NCCc1c(F)cccc1F)[C@@H]1CCCN1C(=O)c1ccccc1 193735681 XRZPDOZCZNVPEA-SFHVURJKSA-N 358.388 2.928 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCCN(Cc3cccs3)CC2)nc(N)n1 1506430258 ZBQFPFDGTKDKRU-UHFFFAOYSA-N 373.526 2.667 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C1)CC2 1704324633 BWSYJDORHOFCKT-LJQANCHMSA-N 350.426 2.522 0 50 FFAA CCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1 2248818 FWGZEBRLNQHPNW-LFIBNONCSA-N 364.430 2.550 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)cc1 1772709908 KJVNSHNOFHTQTD-NVXWUHKLSA-N 364.511 2.803 0 50 FFAA CC(C)CC(=O)N1C[C@@H]2CN(CC(=O)O)C[C@@]2(CCc2ccccc2)C1 1772707732 VOCGJYFXQZAKPK-RXVVDRJESA-N 358.482 2.510 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)NC(C)C)C3)C2=O)c1 11817198 OQIBSGLSBCLQPC-FQEVSTJZSA-N 359.470 2.628 0 50 FFAA CSCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12093334 QNMWYLVOAVNTBR-SFHVURJKSA-N 368.449 2.669 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12324905 VSTSINJZKDQMPN-CYBMUJFWSA-N 363.339 2.770 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 14748177 WIYILKKRNPZVCV-QGZVFWFLSA-N 370.472 2.925 0 50 FFAA CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 16624341 MEMXIUCYJPQSKR-UHFFFAOYSA-N 368.842 2.608 0 50 FFAA OCc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)o1 19798783 BDUMZLXIQVKKMV-QGZVFWFLSA-N 373.472 2.698 0 50 FFAA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc4c(c3)c3ccccc3n4C)C[C@H]2CO1 1857667382 WYMRUHWPQNTSNJ-PVAVHDDUSA-N 363.461 2.923 0 50 FFAA CC(=O)N1CC[C@]2(C1)Cn1c(nnc1-c1cc(Cl)ccc1Cl)CO2 1857705269 ADDGSYPOFMSYPG-INIZCTEOSA-N 367.236 2.773 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4cccc(Cl)c4n3)C[C@H]2O)on1 1857722832 PFUBSAPWIRNRGF-CXAGYDPISA-N 371.824 2.860 0 50 FFAA CCCC(CCC)C(=O)NC[C@H]1[C@H]2CN(Cc3cnc[nH]3)C[C@]23CC[C@H]1O3 1857739501 MDFBJMSYABWJDJ-QEUVDIPISA-N 374.529 2.722 0 50 FFAA Cc1nc2ccnn2c(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1875244126 NPBJWARTFCVYLH-XLIONFOSSA-N 373.460 2.934 0 50 FFAA CN(C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 119983666 IEPCTQOZQAGHNC-GOSISDBHSA-N 369.465 2.652 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 332377510 WHCYPDVVXNZHHO-SNVBAGLBSA-N 354.332 2.559 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 237650122 WGLAKHHJBKONIC-WWGRRREGSA-N 352.228 2.876 0 50 FFAA O=C(O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 238025436 UZDHDNHZFSSDIO-ZIAGYGMSSA-N 352.228 2.876 0 50 FFAA CC(C)CNC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241923294 UEUFCKLVWDETJQ-NXNVCVFFSA-N 356.422 2.534 0 50 FFAA Cc1cnn(-c2ccc(S(=O)(=O)N[C@@H]3CCOC(C)(C)C3)cc2F)c1 156262214 AZQWKOHLUFXULE-CYBMUJFWSA-N 367.446 2.556 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](C)CN(C(=O)NCCc2ccccc2C(F)(F)F)C1 1875288744 APIKXVFJJVBTAL-TZMCWYRMSA-N 371.403 2.662 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@H]1C(F)F 1875374097 AIIYCVYJJJQBGC-HTQZYQBOSA-N 353.152 2.515 0 50 FFAA C=CC(=O)NC1(CNC(=O)[C@H]2CCc3ccccc3O2)CCCCCC1 1875386752 YAGGBDOJERIMPY-GOSISDBHSA-N 356.466 2.892 0 50 FFAA CC(C)n1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]4CCC[C@H]43)[C@H](C)C2)cn1 1875361423 RZFOTBNDGMXHMC-JOCBIADPSA-N 358.486 2.573 0 50 FFAA Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc2c(O)ncnc2c1 879850725 GUSFGGQCJFOLLS-UHFFFAOYSA-N 364.405 2.733 0 50 FFAA COCc1ccc(CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886041075 MFPQJMCBIHRHJO-OAQYLSRUSA-N 355.482 2.943 0 50 FFAA CO[C@@H]1CN(CCn2ccc3cc(Cl)ccc32)C[C@H]1c1cn(C)nn1 886071924 HOMHOXHXPPWOQJ-MAUKXSAKSA-N 359.861 2.538 0 50 FFAA CC1(C)CN(Cc2noc3c2COCC3)C[C@@H]1NC(=O)C1CC2(CCC2)C1 2325793954 MKLILSBASHIFRH-SFHVURJKSA-N 373.497 2.654 0 50 FFAA O=C1CC[C@@H](CNC[C@@H](c2ccc(F)cc2Cl)C(F)(F)F)C(=O)N1 2325802056 DYCKHMAZEXFHAV-KWQFWETISA-N 366.742 2.767 0 50 FFAA CNC(=O)c1cccc(CCC(=O)N2CCCC[C@H]2C2CCOCC2)c1 2325810582 SIWYNYMRIMSTNG-IBGZPJMESA-N 358.482 2.787 0 50 FFAA O=C(N[C@H](Cc1coc2ccccc12)C(=O)O)c1csc2nccn12 2325876096 KRQDSEJQJGYCEN-GFCCVEGCSA-N 355.375 2.568 0 50 FFAA COc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 871641 IUVZPNSNXZMKAK-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CCOc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)NC 1015460 CJDHFOOKNYRADU-KRWDZBQOSA-N 355.463 2.777 0 50 FFAA CCC[C@@]1(CO)CN(Cc2cc(OC)c(SC)cc2OC)CC[C@H]1O 2356152110 AJDPPRGKOFFFBC-MOPGFXCFSA-N 369.527 2.771 0 50 FFAA CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)NCCOC)c12 2838061 ILSUNELJDKFTPH-UHFFFAOYSA-N 356.344 2.711 0 50 FFAA CCCN(Cc1ccccc1OC)C(=O)c1ccc(-c2nnn(C)n2)cc1 55212080 DJTDAKQEWCNPDM-UHFFFAOYSA-N 365.437 2.938 0 50 FFAA CC(C)n1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cn1 23145945 UQTOXLCVBXNSJW-IBGZPJMESA-N 360.477 2.672 0 50 FFAA COc1nccnc1N1CCC(Cc2nncn2-c2ccccc2)CC1 55211380 HVPMZAWRVDGSMA-UHFFFAOYSA-N 350.426 2.525 0 50 FFAA Cc1nnc(-c2ccc(C(=O)NC3CCN(C(=O)CC(C)C)CC3)cc2)o1 461987088 PTLFSEIFVQPNSD-UHFFFAOYSA-N 370.453 2.812 0 50 FFAA Fc1ccc(CN2CCCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 20540921 INZAQQZSZRWMTI-UHFFFAOYSA-N 367.428 2.979 0 50 FFAA Cc1nsc(NC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)n1 63844777 HYWOMWYYFMNSPC-LBPRGKRZSA-N 371.426 2.703 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCCc1ccccn1 67472775 KWYIAKHDPJPIGA-OAQYLSRUSA-N 359.514 2.538 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642882 OAHMLWQISGEXBB-HBUIZNLBSA-N 366.454 2.754 0 50 FFAA in-vitro O=C(N/C(=C\c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1 22590704 NSPQTJMKTBCIGD-HGLWPWQMSA-N 364.401 2.533 0 50 FFAA COc1cc2c(cc1[C@@H]1CC(=O)Nc3cc4c(cc31)NC(=O)CO4)CCC2 65380728 PIAFGKCXKBQZPG-CYBMUJFWSA-N 364.401 2.989 0 50 FFAA Cc1csc([C@H]2COCCN2C(=O)c2coc(C3CCOCC3)n2)n1 328666797 CTJLAQUFXUXFHS-CQSZACIVSA-N 363.439 2.547 0 50 FFAA Cc1csc([C@H](C)NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n1 321493245 SAGBZZATHYHAAH-NSHDSACASA-N 354.453 2.806 0 50 FFAA CN(C[C@H](O)COc1cccc(CN2CCOCC2)c1)C1CCCCC1 12578217 SZOIKQNFBGXXPN-FQEVSTJZSA-N 362.514 2.523 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(S(=O)(=O)CC)C1 12577308 LNWATVDBUDTVFW-QGZVFWFLSA-N 373.902 2.878 0 50 FFAA COc1ccc(-c2nc(CN3CCC(NC(C)=O)CC3)c(C)o2)c(F)c1 71767779 SBTXRNUNVLFFNG-UHFFFAOYSA-N 361.417 2.898 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCC([C@@H]2CCOC2)CC1 374931097 SPCFHIQZLYEZBV-OAHLLOKOSA-N 373.419 2.880 0 50 FFAA CCOc1ccccc1OCC(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 239297298 DZEOADSJGNFUIJ-BZUAXINKSA-N 363.454 2.948 0 50 FFAA Cc1n[nH]c(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1Cl 219509612 NCZBHOGYRGVFGM-SEEARECTSA-N 361.829 2.548 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)cc1Cl 262565552 LFFLTZPPTKWCSK-GHMZBOCLSA-N 352.818 2.871 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCc1noc2c1CCCC2 376914960 MSKFJSZDHDQAQE-CYBMUJFWSA-N 358.446 2.603 0 50 FFAA O=C(CSc1nnc2ccccn12)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333957000 HOQBXRWWSQSWGN-CABCVRRESA-N 372.494 2.629 0 50 FFAA Cc1cc(CNC(=O)Cc2c(C)nc(N)nc2C)c2[nH]c(C)c(C)c2c1 71751432 NCIJICIUFPKTMX-UHFFFAOYSA-N 351.454 2.941 0 50 FFAA C[C@H](CN1CC2(CCN(CCC(=O)N(C)C)CC2)OC1=O)c1ccccc1 77287292 DNDSAGOSPBMEDI-QGZVFWFLSA-N 373.497 2.555 0 50 FFAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3nc(C)c(C)s3)n2)c1 44891070 QFWARSMEIBJEHN-UHFFFAOYSA-N 370.434 2.631 0 50 FFAA COc1cccc(N2CCN(C(=O)NCCc3scnc3C)CC2)c1 426415268 FMRBGOITFWCYHH-UHFFFAOYSA-N 360.483 2.534 0 50 FFAA CCOC[C@H]1CCN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)C1 176047895 BTPRCSFPFPZJKP-PMACEKPBSA-N 359.514 2.619 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 82107306 QFXUCKBLUSUEHD-HNNXBMFYSA-N 360.377 2.757 0 50 FFAA COc1nccnc1-c1ccc(C(=O)N[C@@H](c2nccn2C)C2CC2)cc1 426372084 NTMDVKQNULDKRX-MRXNPFEDSA-N 363.421 2.767 0 50 FFAA Cc1cc(N2CCC(NC3CCOCC3)CC2)nc(-c2ccccc2O)n1 95379863 PETLQSVDQPSQCU-UHFFFAOYSA-N 368.481 2.895 0 50 FFAA O=C(NC1CCN(Cc2cccs2)CC1)c1c[nH]c(=O)c2ccccc12 97773182 RGBZHHHORQWHHM-UHFFFAOYSA-N 367.474 2.984 0 50 FFAA Cc1cc(NCc2nc(-c3ncccn3)no2)nc(-c2ccccc2O)n1 91876963 HHUPQXWARMAYMG-UHFFFAOYSA-N 361.365 2.610 0 50 FFAA COCc1cc(N2CCCC[C@@H](S(C)(=O)=O)C2)c2cc(F)ccc2n1 291022113 XRVRJFFZYPORHJ-OAHLLOKOSA-N 366.458 2.924 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCn1nc(C)c(C)c1C)C2 91737021 QZOVRTUQPCOLTD-INIZCTEOSA-N 357.454 2.575 0 50 FFAA Cn1nnnc1SCCNC(=O)c1sc2cccc(F)c2c1Cl 92045773 YILRLYBLIYFBNU-UHFFFAOYSA-N 371.850 2.739 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCN2CCCCC2)C3)cc1 96138977 YBAXETOGZHWZMS-UHFFFAOYSA-N 368.481 2.846 0 50 FFAA COc1ccc2c(C)c(C(=O)NC3CCN(c4cnccn4)CC3)oc2c1 91645143 GQAGNIVSMRBVGP-UHFFFAOYSA-N 366.421 2.939 0 50 FFAA CCOc1ccc(C(C)=O)cc1NC(=O)N[C@@H](CO)Cc1ccc(O)cc1 96148052 DPEQRCVHTBGJHA-MRXNPFEDSA-N 372.421 2.719 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCO[C@@H](c2cccnc2)C1 296322622 BCYQGKFDJFMJEY-SJLPKXTDSA-N 364.409 2.704 0 50 FFAA CC(C)[C@@H](CO)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 253414258 WXNMTSOVVRQWFZ-HXUWFJFHSA-N 352.478 2.841 0 50 FFAA O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1 299745948 UFKDTKSPSRUQJR-JKSUJKDBSA-N 353.374 2.576 0 50 FFAA CCCc1nc(C)cc(N[C@@H]2CCN(Cc3csc(C)n3)C[C@H]2O)n1 299760666 IVGRVSMGLKJZGT-HZPDHXFCSA-N 361.515 2.550 0 50 FFAA CCn1nc(C)c(-c2cccc(C(=O)N(C)Cc3cnc(N)nc3)c2)c1C 299774843 JJFRKARWKKUGNI-UHFFFAOYSA-N 364.453 2.831 0 50 FFAA O=C1OCC2(CCN(C(=O)CC3CCN(Cc4ccccc4)CC3)CC2)O1 299785369 YIIKMKCVYBHYCN-UHFFFAOYSA-N 372.465 2.817 0 50 FFAA CN1CCC(Oc2ccccc2NC(=O)NCCCn2ccnc2)CC1 299793989 JLXNQYJFILSLGV-UHFFFAOYSA-N 357.458 2.568 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2cnnc2)cc1 828161251 UIYOYXGBHAERJN-INIZCTEOSA-N 367.478 2.723 0 50 FFAA CC(C)Cc1cc(CNC(=O)CSc2nc(-c3ccco3)n[nH]2)on1 821483390 SLFZTTOVFMXNMW-UHFFFAOYSA-N 361.427 2.660 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)c1c(C)[nH]c3c1C(=O)CCC3)C2 824804703 GXXAVKUBSXMASB-ZDUSSCGKSA-N 354.406 2.584 0 50 FFAA COc1nc2c(cc1C(=O)NCc1noc(-c3cccs3)n1)CCC2 824845386 AUOLQCFYQDGEAP-UHFFFAOYSA-N 356.407 2.620 0 50 FFAA CN(Cc1cscn1)C(=O)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 584903876 FILMXAPGJGILAU-OAHLLOKOSA-N 360.483 2.655 0 50 FFAA C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCN[C@H]([C@@H]3CCCO3)C2)n1 1343303720 XKINKXNGKJABIL-YSHGAJCASA-N 368.481 2.978 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(CC(=O)NC2CC2)cc1 952862900 RQDIFCJFOSNVII-UHFFFAOYSA-N 366.417 2.808 0 50 FFAA CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1O 273949534 MOVCOIXMJZZAHE-VXGBXAGGSA-N 366.405 2.518 0 50 FFAA CN(CC(=O)O)C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 186628751 QXMPDKBOJMVMME-UHFFFAOYSA-N 373.280 2.933 0 50 FFAA O=c1[nH]c(CN2CCC[C@@H](c3ccn[nH]3)C2)nc2sc3c(c12)CCC3 193579107 PQWQTVBMLDFIAY-LLVKDONJSA-N 355.467 2.576 0 50 FFAA COc1c[nH]c(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc1=O 1506422330 ODWAWSZWSNRPDK-UHFFFAOYSA-N 350.802 2.578 0 50 FFAA CCCn1nc(C)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1C 1506421638 KNOZVVQGVHLOLE-UHFFFAOYSA-N 353.426 2.567 0 50 FFAA O=C(NC[C@@H]1CCCO1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 825018 CHKMIGFFKMVGNX-OGBKAESYSA-N 350.418 2.753 0 50 FFAA O=C1C[C@H](C(=O)N2CCC(Cc3ccc(O)nc3)CC2)C2(CCCCC2)O1 1772705889 CMXJWSWWAWPCDQ-QGZVFWFLSA-N 372.465 2.834 0 50 FFAA O=S(=O)(c1cccnc1)N1CCc2onc(-c3ccccc3F)c2C1 11820668 ADQVEDBBHFOMAW-UHFFFAOYSA-N 359.382 2.623 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)Cc2cccnc2)no1 12204000 DJSGKKJLLFBCJR-UHFFFAOYSA-N 350.422 2.974 0 50 FFAA COc1ccc(N[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1OC 12307746 ODFHXDLSNONGSZ-KRWDZBQOSA-N 355.438 2.744 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 169691199 XZESUBFBZKJUNK-MTFMMBMASA-N 374.396 2.604 0 50 FFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccoc4)CC3)nn2)n1 169777474 HYAYRJIFOVJELM-UHFFFAOYSA-N 356.386 2.522 0 50 FFAA CSc1ccc2cc(-c3nccn3CCCc3nn[nH]n3)c(O)nc2c1 1857691958 HZVGKOJGXCEVKL-UHFFFAOYSA-N 367.438 2.672 0 50 FFAA OC[C@@H]1CCCN(CCn2ccnc2-c2coc(-c3ccccc3)n2)C1 1857693605 DMSDNEMYCLAOPU-MRXNPFEDSA-N 352.438 2.909 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2cc(C)nc3cc(F)ccc23)CC[C@H]1O 1857724344 WIWOXGAUHWCCTO-QUCCMNQESA-N 360.429 2.668 0 50 FFAA COc1cc(CCC(=O)Nc2nc(C)c(C)c(C)n2)cc(OC)c1OC 1875242813 CSIKZBWDKHRPCI-UHFFFAOYSA-N 359.426 2.999 0 50 FFAA O=C(O)c1cccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)c1 238213883 YNRCOHBFVXZOGT-UHFFFAOYSA-N 357.381 2.889 0 50 FFAA CCc1ccc(CNC(=O)CNC(=O)c2ccccc2OC(F)F)cc1 252538032 MNVYRNONADFCRO-UHFFFAOYSA-N 362.376 2.897 0 50 FFAA CCC(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(-c3ccccc3)nn2)C1 152875826 DVHDXVSGUGMWAF-MRXNPFEDSA-N 352.438 2.755 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@H](c3ccnn3C)C2)c1OC 367189211 YFANDQOOCNOGQW-HNNXBMFYSA-N 358.442 2.527 0 50 FFAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC(c2nnc3n2CCC3)CC1 368089876 ADWQJVKBQWZVQX-UHFFFAOYSA-N 370.844 2.545 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccccc3F)C1)CC2 1704299090 NOEPJAQUYHCHFU-HXUWFJFHSA-N 354.429 2.802 0 50 FFAA Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1Cc1cnon1 952893605 IFEYNLGCCCKOQD-KRWDZBQOSA-N 357.389 2.585 0 50 FFAA Cn1cnnc1C[C@]1(O)CCCN(c2ccnc3cc(Cl)ccc23)C1 952886944 FEGKETBHMISWSZ-GOSISDBHSA-N 357.845 2.591 0 50 FFAA c1cc(Cc2noc(C3CCN(c4ccncn4)CC3)n2)c2c(c1)OCO2 1875272478 TUXFOGODWSZOEX-UHFFFAOYSA-N 365.393 2.563 0 50 FFAA O=C(Cc1ccc2nc(O)[nH]c2c1)N1CC[C@H](Oc2ccccc2F)C1 1875274544 HIFUWKIZQNOBGB-ZDUSSCGKSA-N 355.369 2.630 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NC2(c3nccs3)CCOCC2)cc1 1875380436 OXDVDAIMJKJDAQ-UHFFFAOYSA-N 371.462 2.728 0 50 FFAA CCOc1cc(NS(=O)(=O)c2ccn(CC(F)(F)F)n2)ccc1C 1875304840 WXOYZYAGCSRASB-UHFFFAOYSA-N 363.361 2.953 0 50 FFAA Cc1nc(C2CCN(C)CC2)c2n1CCN(C(=O)COC1CCCCC1)C2 1875394574 NTQTYFRXANRHML-UHFFFAOYSA-N 374.529 2.692 0 50 FFAA O=C(c1cnns1)N1C[C@H]2CC[C@H]1CN2CC[C@H]1CCCC1(F)F 1875407363 XUBZUTHTFDMBQQ-UPJWGTAASA-N 356.442 2.652 0 50 FFAA COc1cc(OC2CC2)ccc1C(=O)N1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888077825 XIUPDZDJAMLIRL-GDBMZVCRSA-N 357.410 2.562 0 50 FFAA CCc1ccccc1NC(=O)NCCNc1cc(-n2cccn2)nc(C)n1 23144610 ZZPDABHOMLRZRP-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA CC(C)(C)OC(=O)[C@H]1N(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)CC1(C)C 2325781621 OXPGCCFCBUZPAJ-DOTOQJQBSA-N 372.465 2.830 0 50 FFAA CN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[C@@H]1COC2(CCC2)CN1 2325809187 NDOZAVHDGPAKHL-AWEZNQCLSA-N 360.351 2.714 0 50 FFAA Cc1cccnc1CN(C)[C@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 2325839591 YSVJQNBJIQXUTN-KRWDZBQOSA-N 355.486 2.904 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(-c3ccnn3C)ccc2C)CC1 2325883864 LIFDBVPDGHFHIL-UHFFFAOYSA-N 352.438 2.759 0 50 FFAA O[C@@H](CNCc1ccccc1CN1CCCC1)C[C@@H](O)c1ccccc1 905027703 QQEBWLKTVLSIHT-FGZHOGPDSA-N 354.494 2.857 0 50 FFAA CC1(C)C[C@@H](NC(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1 675789 YOWHANNOAAEALQ-PRHODGIISA-N 362.314 2.928 0 50 FFAA CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1C 786388 JJYAZKLCEBHALL-UHFFFAOYSA-N 360.479 2.956 0 50 FFAA CC1(C)NC(=O)N(C[C@@H](O)CN(c2ccccc2)c2ccccc2)C1=O 864151 XXFLLFXDFNXBQK-KRWDZBQOSA-N 353.422 2.516 0 50 FFAA COC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)cc(C(=O)OC)c1 1195666 DWTWYZBCSVNHEV-UHFFFAOYSA-N 373.361 2.529 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2ccc(-c3cncc(N)n3)cc2)s1 2356163656 MMAPSJHSZRGTLD-UHFFFAOYSA-N 368.462 2.730 0 50 FFAA CSc1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 2855732 KFBRSVWWYUFAON-UHFFFAOYSA-N 368.455 2.952 0 50 FFAA O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1 4857635 GOMUEYSZQMXZKU-UHFFFAOYSA-N 359.429 2.760 0 50 FFAA O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1cc(F)ccc1F 112337196 BOSOTLDMQYLPRZ-KRWDZBQOSA-N 358.392 2.921 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(NC(=O)CCCn3cncn3)cc2)o1 55131457 XTLUAPUHMRMDRH-UHFFFAOYSA-N 353.382 2.851 0 50 FFAA COC(=O)C[C@H]1Oc2ccccc2N(CCOCc2ccccc2)C1=O 55281444 YFYYSXRGFZXAJD-GOSISDBHSA-N 355.390 2.561 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3noc([C@H]4CCCO4)n3)[nH]n2)s1 67967597 RJKFNIUADYNUCS-GFCCVEGCSA-N 359.411 2.611 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(-c2cccnc2)nc1 65451780 NTLHCHRGNLORDU-UHFFFAOYSA-N 358.405 2.698 0 50 FFAA CC(=O)NCCc1cn(-c2ccc3c(c2)c2c(n3C)C(=O)CCC2)cn1 67739733 DJVWRWGPFJMWGJ-UHFFFAOYSA-N 350.422 2.562 0 50 FFAA CC(=O)[C@@H](C)CC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67688733 OVGRRDVXYNFSGE-ZDUSSCGKSA-N 354.406 2.790 0 50 FFAA Cc1cc(C(=O)NCCN2CCC(C)CC2)nn1-c1c(F)cccc1F 252537252 KUCSXCZIGCQGGO-UHFFFAOYSA-N 362.424 2.921 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 329497818 GOPOFGJEPZIEMZ-HXUWFJFHSA-N 373.456 2.721 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCc1cccc(OC)c1 72476965 DJQSNHHZKFYPAK-FQEVSTJZSA-N 373.541 2.550 0 50 FFAA O=C(N1CCCC1)N1CCC[C@H](N[C@@H](c2nc[nH]n2)C2CCCCC2)C1 330268897 RLTWRELBQQFPPJ-DLBZAZTESA-N 360.506 2.696 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnn3ccccc23)cs1 328656734 ZQFOYQWKOWGRIL-RDJZCZTQSA-N 359.474 2.801 0 50 FFAA CCC[C@H]1COCCN1Cc1c(C(=O)N2CCCC2)nc2sccn12 71760399 ILDIHVXBHLFDGH-AWEZNQCLSA-N 362.499 2.633 0 50 FFAA CCOc1ccccc1C(=O)N1C[C@@H](NC(C)=O)CC[C@@H]1C(F)(F)F 330582378 SEZYVYQELMFDAF-SWLSCSKDSA-N 358.360 2.757 0 50 FFAA COC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 30822964 MDOUVAACPOXRMO-UHFFFAOYSA-N 359.385 2.974 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@@H](O)c3ccc(Cl)cc3)CC2=O)c1 72479307 JSJBRSYTHVDQBL-IBGZPJMESA-N 372.852 2.553 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 331596396 LFEULDHSQITEHM-ZYHUDNBSSA-N 356.216 2.561 0 50 FFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCN([C@@H]2CCNC2)CC1 214966867 ZHNCXIYCLWTULS-HXUWFJFHSA-N 353.441 2.612 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cc1OC 77504816 JTUOSFBXUJVUQX-KRWDZBQOSA-N 356.422 2.920 0 50 FFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CN3CCC2CC3)CC1 77337350 QPMIUKNEHHIIMO-QGZVFWFLSA-N 368.308 2.845 0 50 FFAA CCn1c(C)ccc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c1=O 77540326 DKYVPZMFJGHREN-HXUWFJFHSA-N 368.477 2.632 0 50 FFAA Cc1nn(C)c(N)c1C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 376089446 UAXCLSDNSZVRHY-UHFFFAOYSA-N 353.426 2.780 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3noc([C@@H]4CCCO4)n3)cc2)n1 77385259 KQVJRFKDFBTDLM-INIZCTEOSA-N 367.409 2.654 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)CCn3cccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72151828 DZBLSVUMAYJAHL-CEMLEFRQSA-N 364.493 2.670 0 50 FFAA Cc1cc(N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n2nccc2n1 72447872 IXEHMTLTSMDCGG-OAHLLOKOSA-N 361.409 2.867 0 50 FFAA C[C@@H](NC(=O)c1ccc2c(c1)COC2)c1ccccc1NS(C)(=O)=O 491921559 RKKFQOODFFKPNI-GFCCVEGCSA-N 360.435 2.579 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc(N(C)C)nc3)CC2=O)cc1C 72173822 KDOGXOHFCQSSEI-UHFFFAOYSA-N 352.482 2.609 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cs1 72430807 MSDHNCIIPBAVOB-HNNXBMFYSA-N 373.526 2.801 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1C 71759593 UPDRNHDBMOWDMA-GOSISDBHSA-N 373.428 2.832 0 50 FFAA COc1cccc(CN2CCN(c3ncccc3Cl)C[C@@H]2CCO)c1 72463441 ITVPJANBSZBNLT-INIZCTEOSA-N 361.873 2.817 0 50 FFAA CC(C)c1nc([C@H]2CCCN2C(=O)C[C@@H](C)NC(=O)C2CCCC2)no1 173450939 HJIVYWVQILPIHX-UKRRQHHQSA-N 362.474 2.942 0 50 FFAA COc1cc2nc(CN3Cc4ccccc4C[C@@H]3C)[nH]c(=O)c2cc1OC 172911415 HGWGOXHKIUZGKD-ZDUSSCGKSA-N 365.433 2.887 0 50 FFAA C[C@H](CCN1CCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1 82108201 CDIYOWOBIWCXMD-MRXNPFEDSA-N 355.486 2.664 0 50 FFAA COc1ccc(N2CCN(C(=O)c3cc4cccnc4s3)CC2)nc1 456987675 SVSGKCDAYRIWRC-UHFFFAOYSA-N 354.435 2.662 0 50 FFAA Cc1noc([C@@H]2CN(C(=O)[C@@H](C)c3ccc(Cl)s3)CCN2C)n1 284517508 COJNQTVTTLEKRT-ONGXEEELSA-N 354.863 2.712 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCOc3ccccc3C2)n1 426511692 OAPOIUIFPHNSQT-UHFFFAOYSA-N 366.343 2.908 0 50 FFAA O=C(NCC[C@@H]1CCCN2CCCC[C@H]12)N(CCO)Cc1cccs1 426475604 YDFNIVFUTDATAV-FUHWJXTLSA-N 365.543 2.907 0 50 FFAA O=C(CCc1ccc(O)cc1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220681335 VPGHTDMUGIWBAT-FQVRHNBASA-N 367.445 2.888 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)NCc1nc(C)c2c(n1)CCCC2 426544682 HIMWXPPIFAVHHS-UHFFFAOYSA-N 356.474 2.612 0 50 FFAA COc1cccc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1 426642852 DJWRWZBYSPULAL-MRXNPFEDSA-N 359.470 2.628 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 426668361 NMRFBQGELPCXCW-IBGZPJMESA-N 369.513 2.864 0 50 FFAA CCc1cc(N2CCC(NCCNc3ccncc3C)CC2)nc(C)n1 95500610 HHFDGVKAGGJRTF-UHFFFAOYSA-N 354.502 2.721 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)COc2cccc(C)c2C)C1 95519782 TWRLELQYIBWDEG-SFHVURJKSA-N 371.481 2.931 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 97823443 ZICPCAFTCGSBPG-FQEVSTJZSA-N 370.416 2.983 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnc(-c3cccnc3)nc2O)c1 91616763 VNZDFZPCAOKODM-AWEZNQCLSA-N 363.421 2.651 0 50 FFAA CCn1c(=O)oc2cc(NC(=O)NCCc3nc4c(s3)CCC4)ccc21 426521226 LMHBFHHLUFZWCL-UHFFFAOYSA-N 372.450 2.924 0 50 FFAA CN(C)[C@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1F 95376338 CAFNACSVPZFJEW-FQEVSTJZSA-N 366.440 2.973 0 50 FFAA CCOc1ncccc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91550591 OFKPVFVXTQRMSG-UHFFFAOYSA-N 366.421 2.519 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1 91724856 DYAWDZJDTMFEFD-UHFFFAOYSA-N 354.450 2.896 0 50 FFAA COc1ccc(-c2n[nH]cc2CNc2cc([C@H]3CCOC3)nc(C)n2)cc1 426412382 KWBILCJZWITLGA-HNNXBMFYSA-N 365.437 3.300 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)c(OC)c1 426412345 GBKYBNSNPRGBCH-INIZCTEOSA-N 368.433 2.708 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 239305968 GGAYKOPTOLHDON-CADBVGFASA-N 370.534 2.599 0 50 FFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCO[C@H](C(=O)O)C3)c2c1 178281097 PACYRTAGDRZRIV-KRWDZBQOSA-N 354.406 2.655 0 50 FFAA COc1cccc(CN(Cc2cccnc2)C(=O)c2ccnn2C)c1OC 97730232 QUCWOXXUYRZGPO-UHFFFAOYSA-N 366.421 2.675 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 95367347 XMZAFHQOAZHDAV-UHFFFAOYSA-N 370.501 2.683 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1c1ccc(C)o1 91726129 MSBGYLNEGBTLQU-GDBMZVCRSA-N 369.446 2.942 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1cc(-c3ccccn3)no1)C2 91665156 SFPUJRWZXCQNBY-AWEZNQCLSA-N 365.389 2.613 0 50 FFAA Cc1nnc(SCC(=O)N[C@H](C)c2cnc(-c3ccncc3)nc2C)o1 91636501 FIDLQWFRQFEHQN-SNVBAGLBSA-N 370.438 2.508 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc3O1)CC2 91817606 YXJPYKSSFVWWKI-GOSISDBHSA-N 356.466 2.631 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1ccc2nccnc2c1 97402294 FULBIDMBUOMJEF-UHFFFAOYSA-N 356.495 2.720 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(C)cc1C 239173780 OQKZCXNJYXOFJA-WDYSCTGBSA-N 364.445 2.667 0 50 FFAA O=C(c1ccccc1-n1cncn1)N1CCCC[C@@H]1CCn1cccn1 92098401 HINVTVYGLWBAOF-MRXNPFEDSA-N 350.426 2.549 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc3c(c2)ncn3CCO)C1 95379817 IAWLLDIUDOKPFH-UHFFFAOYSA-N 365.433 2.549 0 50 FFAA COc1cccc([C@@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 526055985 CSQYWQLFRXIARR-INIZCTEOSA-N 364.442 2.764 0 50 FFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@H]1CCC[C@@H]1[C@H]3[C@]42C(=O)OC 247815800 GCDQAWCNVSODCP-FLQFIMLOSA-N 356.462 2.903 0 50 FFAA CN1C[C@@]2(CCCN(Cc3ccc4c5c(cccc35)C(=O)OC4)C2)OC1=O 244794838 QUXIOHCEUPMTKU-OAQYLSRUSA-N 366.417 2.927 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)c1C 293692777 MMWABHTYXXQRDH-LLVKDONJSA-N 351.859 2.919 0 50 FFAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)cc1F 299013597 OIENYHUOAFTYGY-HNNXBMFYSA-N 370.428 2.758 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)c1cccc(-c2cnc(N)cc2C)c1 534644719 IZLNRLNKTQAVKX-UHFFFAOYSA-N 351.410 2.993 0 50 FFAA O=C(NC1CCCC1)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263616964 LKMKKGPFNHUNMU-HNNXBMFYSA-N 367.497 2.883 0 50 FFAA CCOc1ccc2c(c1)[C@H](NC(=O)NCc1c(C)nn(C)c1C)CCO2 184630369 IIRLZALYRXSSPT-QGZVFWFLSA-N 358.442 2.759 0 50 FFAA CC(C)c1nc(C(=O)NCc2cccnc2N2CCC[C@@H](O)C2)cs1 39371362 HJOMNTOJHIPWIB-CQSZACIVSA-N 360.483 2.553 0 50 FFAA CCOc1ccccc1CN1CCn2nc(CNC(=O)C3CCC3)cc2C1 299756771 GQJVJLFCJOFUCP-UHFFFAOYSA-N 368.481 2.714 0 50 FFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(Cc1n[nH]c3ncccc13)CC2 299768125 GIMMPVRXECCXLS-ZAAXVRCTSA-N 356.470 2.897 0 50 FFAA Cn1ccnc1SCCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299791973 DNWYICARIKFWPA-KSZLIROESA-N 370.522 2.854 0 50 FFAA COc1cccc(SCC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c1 824787718 HCGYSEIZOCYZKE-AWEZNQCLSA-N 374.462 2.801 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2nc3ccc(C)cn3c2F)c1 824313032 KEACIPXRQYVJMF-UHFFFAOYSA-N 370.384 2.927 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cnc2ccccc2n1 823676148 KRDXZYORQUZPIM-UHFFFAOYSA-N 363.421 2.691 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cc(Cl)ccc1OC 584890453 HHRJWIORFQXNRP-CQSZACIVSA-N 354.834 2.928 0 50 FFAA O=C(NCCc1nc(C2CC2)no1)N1CCOc2ccc(Cl)cc2C1 584889601 BXQMBMDFULUHBX-UHFFFAOYSA-N 362.817 2.747 0 50 FFAA C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 747111676 JJPWRVNLKZDRBX-VIFPVBQESA-N 365.735 2.763 0 50 FFAA Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1cccc(C(F)(F)F)c1 186112767 ZKWNGDZOJARZGQ-UHFFFAOYSA-N 363.343 2.863 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1COc3c1ccc(C)c3C)CC2 274958799 QZONSOLNBUZJTF-FGTMMUONSA-N 374.481 2.698 0 50 FFAA CCOc1cccc(NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)c1 275501536 KJJPHTBJUHBWSR-KRWDZBQOSA-N 371.441 2.547 0 50 FFAA O=C(CNc1ccccc1Cl)NC[C@@H](Oc1ccc(F)cc1)C(=O)O 170592158 FJZGNTYRIMPKCN-OAHLLOKOSA-N 366.776 2.539 0 50 FFAA CC1CCC(N2C[C@H](C(=O)O[C@H](c3ncccn3)C3CC3)CC2=O)CC1 170609299 YTMOMYSPEAWXJO-CWAZZTDXSA-N 357.454 2.898 0 50 FFAA Cc1ccc(NC(=O)N2CCN(c3nccc(C(C)C)n3)CC2)c(C)n1 187515038 WXWXQLRFJFFSFI-UHFFFAOYSA-N 354.458 2.966 0 50 FFAA Cc1ccn(C)c1C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 189110042 GJUDXSAUXRLJDA-HOTGVXAUSA-N 369.465 2.513 0 50 FFAA CCCc1c(NC(=O)COC[C@@H]2CCOC2)cnn1-c1ccc(F)cc1 191092863 QNDJXFXLNKABSP-CQSZACIVSA-N 361.417 2.956 0 50 FFAA Cc1nc(N[C@H](C)c2cccc(N3CCOC3=O)c2)c2cnn(C)c2n1 194903471 DNHSMKYIESNSFW-LLVKDONJSA-N 352.398 2.801 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)s1 1615936933 GETJNLFWKVFZHY-YJBOKZPZSA-N 367.474 2.984 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)C[C@@H]2O)on1 1529112564 NDJFORRMYSGBTH-BEFAXECRSA-N 372.856 2.858 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704347241 ABRKGSWFNDIJHF-PXAZEXFGSA-N 364.829 2.975 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772805039 GVRZJPCPNCEBLL-AWEZNQCLSA-N 367.478 2.966 0 50 FFAA COc1cccc(OCc2nc(C(=O)N(C)Cc3cc(C)no3)co2)c1 11873418 MQJQNMASSLTHJE-UHFFFAOYSA-N 357.366 2.831 0 50 FFAA Cc1cccc(Cc2nnc(CCC(=O)N3CCCC[C@@H]3CCO)o2)c1 11932700 AXANFOICIFIVCJ-QGZVFWFLSA-N 357.454 2.665 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cn[nH]c4)C3)C2)c1 11949371 WLLWTHRGKZOQNC-FQEVSTJZSA-N 372.444 2.686 0 50 FFAA C[C@H](CNCc1cccnc1N1CCOCC1)Cc1ccc2c(c1)OCO2 12052758 BXTCTWFDLPJMMC-INIZCTEOSA-N 369.465 2.615 0 50 FFAA Cc1cccc(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)c1 12299633 DSEJFAHYCAPUHN-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 12596426 KKWWEJHNXCSEIV-QGZVFWFLSA-N 360.433 2.680 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)cc1Cl 13942772 ZPPBVQFXBQGLEF-RDBSUJKOSA-N 356.253 2.721 0 50 FFAA CC(C)(C)NC(=O)c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 14966559 WLACXVDVIGOSLG-UHFFFAOYSA-N 370.453 2.766 0 50 FFAA COc1ccc(OCc2nc(C(=O)N[C@H]3CCOC(C)(C)C3)co2)cc1 14972832 UAYFWNMUENQKDZ-ZDUSSCGKSA-N 360.410 2.950 0 50 FFAA COCCN1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)CCC1=O 14989773 SACUEVAOMINQBR-UHFFFAOYSA-N 370.424 2.814 0 50 FFAA COc1cccc(N2CCN(c3nc(C)c4c(n3)C[C@@H](C)CC4=O)CC2)c1 16626008 XNWANXAZSHLZIP-CQSZACIVSA-N 366.465 2.885 0 50 FFAA COc1ccc(CN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 18148526 KUMRUOZHUOQVAJ-OAHLLOKOSA-N 374.824 2.779 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccn(-c2c(F)cccc2F)n1 161233559 NANTZJLNMUEDFY-CYBMUJFWSA-N 369.375 2.554 0 50 FFAA COc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)cc2=O)cc1 169752793 RZSXNWNTQSASDN-UHFFFAOYSA-N 363.417 2.544 0 50 FFAA CCc1csc(Cn2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)n1 1857667455 KPWSVYBQFQATJV-HNNXBMFYSA-N 370.482 2.998 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)CCc1n[nH]c2c1CCCC2 1857670132 VITGCHQXHLWODZ-UHFFFAOYSA-N 351.454 2.729 0 50 FFAA CC(=O)N1CCC[C@]2(C1)CN(C(=O)c1cccc3ccccc13)CC[C@H]2O 1857687158 PBLXTKHITSAWGG-IRLDBZIGSA-N 366.461 2.675 0 50 FFAA CC1(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)COC1 1857716985 UKCWPOLVUWXTQI-UHFFFAOYSA-N 363.845 2.850 0 50 FFAA CCCO[C@@H]1C[C@@H](c2nc(-c3ccccc3)nn2CCCO)CC[C@H]1N 1857729901 VWRBAYWJKOKKLK-RCCFBDPRSA-N 358.486 2.718 0 50 FFAA O=C(C1CCCCC1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697478 RKUBPDWLZKPJQU-UHFFFAOYSA-N 366.469 2.844 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 12473698 HUXLAAAMFYLARN-HNNXBMFYSA-N 358.467 2.512 0 50 FFAA C[C@@]1(O)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 133633465 PEBWONXEHWAZGW-DNVCBOLYSA-N 364.873 2.566 0 50 FFAA C[C@@]1(c2ccc(CNC(=O)C3(C4CCCCC4)CC3)cc2)NC(=O)NC1=O 906505837 VRAJMGQKBOXAML-FQEVSTJZSA-N 369.465 2.718 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC[C@H]3c3nncn3CC(C)C)cnc12 1875271953 IYYAYRPSHHPODH-KRWDZBQOSA-N 366.469 2.796 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1cnc2ccnn2c1 1875398817 FUACXTJBVCDHTM-WBVHZDCISA-N 367.457 2.581 0 50 FFAA CCn1nc2c(c1C(=O)N1CCC(c3cc(O)no3)CC1)C[C@H](C)O[C@@H]2C 1875314353 TUPLTPMFPMKJDV-NWDGAFQWSA-N 374.441 2.639 0 50 FFAA C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)[C@@H]1CCCc2ccccc21 888101749 SBLXRMBSYZBYQG-JHNDHUHGSA-N 364.511 2.760 0 50 FFAA Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1063549 YODLTHYVKNMVSV-UHFFFAOYSA-N 360.435 2.737 0 50 FFAA O=C1CC(Cn2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)nn2)C1 2325766409 HEVCPUCPGIQVBY-BCDXTJNWSA-N 364.449 2.808 0 50 FFAA Cc1ccc2nc(N(C)C[C@@]3(O)CCN(Cc4ccccc4)C3)[nH]c2c1 2325856955 KBXHPNCOSYEHDS-NRFANRHFSA-N 350.466 2.945 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H]2c2cn(C)nc2C)cc1 2325889981 LPMRTPRMBXXVMB-SFHVURJKSA-N 352.438 2.855 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cc(C)no3)C2)[C@@H]2CCCC(=O)N12 2356144719 JVQGKKRMOKYIQP-MVJTYMMSSA-N 359.470 2.554 0 50 FFAA O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 2835419 YCUXWFHVKAUACU-INIZCTEOSA-N 364.401 2.643 0 50 FFAA O=C(CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCc1ccco1 4833849 JLVJBLAZUKVDGT-UHFFFAOYSA-N 367.188 2.889 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)no1 55252636 XCKHVFWOWWUHKS-GOSISDBHSA-N 368.481 2.718 0 50 FFAA CCCC[C@@H](C)S(=O)(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 225834113 FHADPFJWRRFAFN-MJGOQNOKSA-N 368.543 2.866 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 132975692 LFTDRBOYRLLZTJ-CHWSQXEVSA-N 352.312 2.754 0 50 FFAA COc1ccc(C(C)C)cc1CN1CCN(c2ncnc3[nH]cnc23)CC1 67847125 ZXWWIPUXTCBRLD-UHFFFAOYSA-N 366.469 2.807 0 50 FFAA Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1C 10678488 HXDUFLNIVMGMJD-NSHDSACASA-N 360.468 2.855 0 50 FFAA O[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1c1ccc2c(c1)OCO2 67866824 NZHCBDHHGMSGCV-DOTOQJQBSA-N 367.405 2.749 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NCC2(O)CCCCCC2)cc1 118698412 JNTCSTGBHQTXAA-UHFFFAOYSA-N 374.510 2.744 0 50 FFAA COCCc1ncc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)cn1 23374814 VMAJREOJPAOOBP-NRFANRHFSA-N 368.525 2.804 0 50 FFAA Cc1cc(C)nc(N2CCN(C(=O)c3ccc([C@H]4CCCO4)s3)CC2)n1 65426540 VVRBQCSZPUWTHO-OAHLLOKOSA-N 372.494 2.969 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 38528410 DINBXIRIUDYUMW-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(CCCOc2ccccc2C)CC1 328603454 GAXLWBYEVXFDDQ-SFHVURJKSA-N 362.470 2.552 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)CCc2ccco2)[C@@H]1c1cnn(C)c1 328630601 PZNXAIKHPITHHD-OXJNMPFZSA-N 358.486 2.877 0 50 FFAA O=C(c1ccccc1Cl)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528199 GSKWKDWRKNJVGY-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)Cn3ccc4ccccc43)CC[C@H]21 72454614 WCXUMTHRMZRNOG-PKOBYXMFSA-N 353.466 2.891 0 50 FFAA O=C(NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)N1CC[C@](O)(C(F)(F)F)C1 151855068 FXELUNISUHJDRF-QSJFSLAZSA-N 354.372 2.671 0 50 FFAA O=C(CCn1c(=O)oc2ccccc21)N1CC(Oc2ccccc2Cl)C1 152172570 PXTGNGPNGHWYAX-UHFFFAOYSA-N 372.808 2.928 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 153861159 NJAXQFGJCMAOGA-XLIONFOSSA-N 367.493 2.902 0 50 FFAA O=C(NCc1ccnc(OCC2CC2)c1)N1CCO[C@@H](c2ccco2)C1 125523226 RLMGVBZALRWTGG-QGZVFWFLSA-N 357.410 2.747 0 50 FFAA O=C(N[C@@H](CC(F)F)C(=O)O)c1cccc(Br)c1Cl 261580453 FISLIFUPEVOFGC-ZETCQYMHSA-N 356.550 2.941 0 50 FFAA Cc1cccc(CN2CCN(C(=O)CCCn3nc(C)cc3C)CC2)c1 72410556 PDBJUCROYPXGME-UHFFFAOYSA-N 354.498 2.933 0 50 FFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2c(C)cccc2C)c1 71403928 HKWDNEZOCSYNFE-UHFFFAOYSA-N 363.435 2.593 0 50 FFAA Cc1cccc(N2CC[C@H](CNC(=O)Cn3c(=O)oc4ccccc43)C2)c1 218964730 ZHYKFILTWHQVFP-MRXNPFEDSA-N 365.433 2.546 0 50 FFAA CC[C@H](C)[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)O 236961992 KJTASHNTUXKRLX-FCEWJHQRSA-N 360.498 2.945 0 50 FFAA CCOc1ccccc1Oc1ccccc1C(=O)N1CCO[C@@H](CN)C1 376941984 WMGZNPATNVPTBV-HNNXBMFYSA-N 356.422 2.677 0 50 FFAA C[C@H](CN)N(C)C(=O)CCc1nc2cc(Br)ccc2s1 237604065 MBDAGCOCIJSDLC-SECBINFHSA-N 356.289 2.797 0 50 FFAA COc1cccc(N2C[C@@H](NC(=O)c3ccc4ncccc4c3)CC2=O)c1 223313315 AQZMDCUKOSNYSA-INIZCTEOSA-N 361.401 2.779 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)COc3ccc(Cl)cc3)[C@H]2C1 426550100 WFSFBXWLELSMDD-SOLBZPMBSA-N 353.846 2.904 0 50 FFAA Cc1nc(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)s1 220608702 KTKZUESWPXICSP-PMTKGXAQSA-N 372.490 2.866 0 50 FFAA CNc1nc(-c2cccc(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)c2)ncc1F 426545153 WDAMZWBSRGYMLY-JTQLQIEISA-N 368.416 3.155 0 50 FFAA Cc1ccc(OC2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)cc1 426500022 AWQLECKETXRGCP-OAHLLOKOSA-N 354.454 2.919 0 50 FFAA Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 426429124 YDRZBDBYMVFSHN-LJQANCHMSA-N 365.477 2.927 0 50 FFAA CCN(CC)CCC[C@@H](C)NC(=O)N1CCN(c2ccncc2C)CC1 426613035 ZKDAMCLUAZWAMJ-GOSISDBHSA-N 361.534 2.732 0 50 FFAA CCN(C)S(=O)(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 91586029 CVUMNWGGRCSAHS-KRWDZBQOSA-N 362.499 2.653 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)NCc2cnc(C)cc2C)c1C 96147895 GBYAXCLIYLRTMW-UHFFFAOYSA-N 370.453 2.705 0 50 FFAA COc1cc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ccc1O 91625653 ZFGCZMMDXZEPQU-UHFFFAOYSA-N 372.465 2.656 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nn(C)c3ccc(C)cc13)C2 91636212 KYQIFSQPUYTBHB-HNNXBMFYSA-N 365.433 2.758 0 50 FFAA CC[C@@H](C)NC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91781835 FWWSVYSZEXXGAG-MRXNPFEDSA-N 358.486 2.794 0 50 FFAA CCn1ccnc1C1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 91476097 NTDUCCRRLKQKDU-UHFFFAOYSA-N 358.461 2.580 0 50 FFAA O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1COc2ccccc2C1 333049623 KZDSNDZVIOZYKK-SQNIBIBYSA-N 356.466 2.535 0 50 FFAA COc1cc(OC)c(CN2C[C@H](C3CC3)[C@@H](NC(C)=O)C2)cc1Cl 91746411 WIZBEURZOBCAEW-ZBFHGGJFSA-N 352.862 2.704 0 50 FFAA O=S1(=O)CCC[C@@H](Cc2nc(Cc3cccc(Cl)c3F)no2)C1 293172599 NYTJYKJDYBUEPB-JTQLQIEISA-N 358.822 2.820 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)c1nn(C)c2ccccc12 244873147 WKUCYTABERATEW-UHFFFAOYSA-N 351.332 2.527 0 50 FFAA COc1ccccc1NC(=O)CCN1CCC(N2CCSCC2)CC1 243893341 AQAPUFLZXIUOBR-UHFFFAOYSA-N 363.527 2.537 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2n[nH]c3c2COCC3)cc1 244719145 LXXCCYITNLSCRE-GOSISDBHSA-N 354.454 2.521 0 50 FFAA Cc1nc2ccc(NC(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)cn2n1 297122770 NQXWDYIDTZRBBB-LLVKDONJSA-N 357.336 2.611 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@H](c1nccn1C)C1CC1 534644201 QXKJYXXSKPQZJC-KRWDZBQOSA-N 366.425 2.763 0 50 FFAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1cccc(-c2nccs2)c1 299800187 VUPSLALGZCRVMT-MRXNPFEDSA-N 365.462 2.999 0 50 FFAA Cc1ccc(CC2(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)CC2)cc1 584895767 RGDZVMFKBMGZJQ-LJQANCHMSA-N 359.514 2.822 0 50 FFAA CCOC(=O)c1cc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)c(C)[nH]1 584888749 LBPLSXIPLDUEFF-KRWDZBQOSA-N 369.465 2.943 0 50 FFAA Cc1nc(-c2cccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2)c2ccccc2n1 584901894 YVYXNUAJZDXWDH-QGZVFWFLSA-N 374.444 2.956 0 50 FFAA Cc1nc(CN2CC[C@H](NC(=O)c3ccc(Cl)s3)[C@@H](O)C2)cs1 1565510484 CXQCYHOQSGPCAA-RYUDHWBXSA-N 371.915 2.532 0 50 FFAA Cc1nc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)cs1 1565510234 CDCSNOYJNIFSIM-AEFFLSMTSA-N 356.495 2.512 0 50 FFAA CC[C@H]1C(=O)N([C@H]2CCOc3c(Br)cccc32)C(=O)N1C 408517023 QOFUHZBQYDSNOG-RYUDHWBXSA-N 353.216 2.945 0 50 FFAA C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 278624544 SSNOIPKGWIZGKH-SSDOTTSWSA-N 358.769 2.577 0 50 FFAA Cc1csc(SCC(=O)NCc2csc(N3CCCC3)n2)n1 1506431240 GUMLGVVWAAOGMJ-UHFFFAOYSA-N 354.526 2.917 0 50 FFAA CN(C(=O)c1ccc(N2CCCCC2)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1529167091 GGANXERLFDQFTL-ZIFCJYIRSA-N 355.482 2.664 0 50 FFAA O=C(Cc1ccccc1)N1CCCN(C2CSCCSC2)CC1 1772807182 QLDKJVSISPDZOV-UHFFFAOYSA-N 350.553 2.612 0 50 FFAA Cn1ccc(C2CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)cc1=O 1772813791 ULHDANOQLYWQCX-UHFFFAOYSA-N 352.434 2.730 0 50 FFAA CN(Cc1cc(-c2ccccc2)on1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 11950169 OGHNIFHXDIWFAT-HNNXBMFYSA-N 353.422 2.701 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 12301905 HMZOTLKJEJRZPP-UHFFFAOYSA-N 360.421 2.783 0 50 FFAA Cc1cccc(C[C@@H](C)N2CCC(CCC(=O)N3CCOCC3)CC2)n1 12430566 MEXMONMJCFSIPE-GOSISDBHSA-N 359.514 2.672 0 50 FFAA COc1cccc(CCC(=O)N2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2F)c1 14960259 HGDZDUAJYUEQSV-KXBFYZLASA-N 368.408 2.783 0 50 FFAA COc1cc(Br)c(CN(C)C2CCN(C)CC2)cc1OC 16662648 VWXRBXVGEREKRK-UHFFFAOYSA-N 357.292 2.992 0 50 FFAA OC[C@@H]1CCCN(CCn2ccnc2-c2ccc3cccc(F)c3n2)C1 1857706788 QVUFHWBUSFYTOW-OAHLLOKOSA-N 354.429 2.942 0 50 FFAA Cn1nccc1C1=CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 328973810 AUXORVAFZHZYDV-UHFFFAOYSA-N 357.479 2.777 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)n1C 124775249 QUAHGURAYIMARI-UHFFFAOYSA-N 369.421 2.523 0 50 FFAA O=C(CCn1cnc2ccccc21)N1CCN(c2ccncc2Cl)CC1 125559517 CLDPJNBJTGGGRZ-UHFFFAOYSA-N 369.856 2.824 0 50 FFAA Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)c(C)cc1Br 237634051 DWUBLGRGGIMOTK-NWDGAFQWSA-N 361.305 2.566 0 50 FFAA CC(C)OC[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CCO1 372129295 VQYBQCHDGQRWCH-MRXNPFEDSA-N 364.877 2.761 0 50 FFAA Cc1cnn(C[C@H]2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)c1 266412690 QVAAIEXHVQPVBT-GOSISDBHSA-N 364.453 2.566 0 50 FFAA Cc1noc(Cn2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cn2)n1 1875268284 GPIYKHLYQUHMBO-HNNXBMFYSA-N 367.409 2.655 0 50 FFAA O=C(O)[C@H](c1ccc(F)cc1Cl)N1CCO[C@H](C2CCOCC2)C1 1875303786 MPHPKBGBCFVNIZ-HOTGVXAUSA-N 357.809 2.732 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)C1 1875371142 QOVMHNHAZQLRIK-ALKREAHSSA-N 360.429 2.539 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 1875379394 SQEJZRDVZCHJTI-YTQUADARSA-N 374.456 2.929 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 1875349730 KLOGLEMAUYYUHP-LZQZEXGQSA-N 357.498 2.910 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)C1([C@@H]2CCCO2)CC1 1875330776 ZKGORECVGHBQNQ-QYZOEREBSA-N 357.450 2.869 0 50 FFAA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1 1427985 LTZCLWKHPQPYDE-HNNXBMFYSA-N 365.385 2.997 0 50 FFAA CN(C(=O)CCc1nc2cccc(F)c2[nH]1)[C@H]1CCN(c2ccncc2)C1 2325783823 FKRZURVPFZHZSG-HNNXBMFYSA-N 367.428 2.767 0 50 FFAA O=C(NC1CN(c2ccncc2)C1)c1cnc(Cc2ccc(F)cc2)s1 2325859239 RYYWIXDNWQACAD-UHFFFAOYSA-N 368.437 2.887 0 50 FFAA OC[C@@H](Nc1nc(C(F)(F)F)ns1)[C@H](O)c1ccc(Cl)cc1 882648524 CLIQEFOFIAAQKX-RKDXNWHRSA-N 353.753 2.717 0 50 FFAA CC(C)c1ccc(/C=C/CC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1 885018536 SLGNVRJADMDMSI-GNAXCBTBSA-N 370.493 2.703 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789471 LJAMIDOLIUFNQI-GFCCVEGCSA-N 358.891 2.655 0 50 FFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c(OC)c1 940429 JKOKFNXZIXBFNB-MRXNPFEDSA-N 358.398 2.536 0 50 FFAA CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 1079474 MZRTZWGIYDCUHH-UHFFFAOYSA-N 360.479 2.909 0 50 FFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 1159329 IEBPGEXXYSKKST-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O 1171591 REXAMKLJXCQSQC-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)C1=O 2356138734 GLPGRKKIWBOTPD-MRXNPFEDSA-N 356.344 2.812 0 50 FFAA CCc1ccc(OC)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1 4511330 SYVOLGRNAPHCBY-UHFFFAOYSA-N 354.516 2.845 0 50 FFAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8215832 QWVRQLXCKOQUQJ-JTQLQIEISA-N 352.765 2.919 0 50 FFAA O[C@H]1CN(Cc2ccccc2)CCN(c2nnc(-c3ccccc3)s2)C1 108261174 QTNIEKJNCZPRDE-SFHVURJKSA-N 366.490 2.888 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(N(C)Cc3cnccn3)n2)cn1 55243504 KRTKHIWGPYKORL-UHFFFAOYSA-N 373.420 2.764 0 50 FFAA CCN1CCN(Cc2nc(-c3ccc(OC)cc3OC)oc2C)[C@@H](C)C1=O 55244963 WGQKAKNRHXUVNO-ZDUSSCGKSA-N 373.453 2.720 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 55212001 RKFYPYBDSANAKS-CQSZACIVSA-N 362.499 2.899 0 50 FFAA CC1=C[C@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)nc2N1 100902072 QYOZLEKFBWXXNT-HRCADAONSA-N 363.421 2.876 0 50 FFAA CCSc1nc(CC(=O)N(CC(=O)O)Cc2ccccc2)cs1 55358104 ROPADNWPTMMUNZ-UHFFFAOYSA-N 350.465 2.911 0 50 FFAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 55060291 MADMBFKEBYFTKG-UHFFFAOYSA-N 361.392 2.734 0 50 FFAA COC(=O)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 55142260 JIDDGNGJZILVFS-UHFFFAOYSA-N 352.434 2.998 0 50 FFAA C[C@H](Nc1ccc(NC(=O)c2nc(O)nc(O)c2N)cc1)c1ccccc1 461993793 VKANULAWBKRGJV-NSHDSACASA-N 365.393 2.895 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(OC)c2ccccc12 67790630 PHAASPILDCENED-APWZRJJASA-N 355.482 2.618 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccn2nnnc2c1 67769556 AHDQMCRPVIRRDR-UHFFFAOYSA-N 374.404 2.858 0 50 FFAA CC(=O)c1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cs1 20294018 LGLMIWCFYZVFOD-IBGZPJMESA-N 373.522 2.723 0 50 FFAA Cc1ccn2cc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)nc2c1 20998882 VSSJVOBYWKREEW-UHFFFAOYSA-N 361.405 2.746 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc(O)nn3)CC2)c1 67758687 WIYQVQPRRUKVPK-UHFFFAOYSA-N 363.421 2.901 0 50 FFAA C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCCN(Cc2ccccc2)CC1 229690027 LNHXHPCRHXFMAO-UYAOXDASSA-N 360.498 2.695 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2)nc1 67513698 AGHLQKHWXHIMDB-MRXNPFEDSA-N 353.422 2.642 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC([C@@H](O)CCc2ccccc2)CC1 77472334 HAEVQKALNBSOFH-QFIPXVFZSA-N 367.489 2.954 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(c3nc4ccccc4s3)C2)n1C 72478831 SIBSWNNHZDSLOM-CYBMUJFWSA-N 356.499 2.870 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCO[C@H](c2ccco2)C1 122638837 HLZLHWQKUSGJDS-SFHVURJKSA-N 370.384 2.888 0 50 FFAA COc1ccccc1CCCN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328628272 HCTPMTRIRMARKT-INIZCTEOSA-N 370.453 2.740 0 50 FFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@H]1C[C@@]12CCOC2 330000370 WIABVOREADRYKG-CXAGYDPISA-N 368.355 2.893 0 50 FFAA CCOc1ccc(-c2ccnc(NCCn3cccn3)n2)cc1C(=O)O 72408876 JNHFGGQDNTYGPG-UHFFFAOYSA-N 353.382 2.549 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1 77408037 PGERFFKXKWBMSO-QGZVFWFLSA-N 368.474 2.523 0 50 FFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2ccco2)nc1C 485127220 ZXYRRFJQNKBDQQ-SFHVURJKSA-N 361.401 2.968 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCC[C@]4(CN(C)C(=O)O4)C3)c(C)c2c1 72133807 YLDMWMTVNUOYBJ-IBGZPJMESA-N 357.410 2.542 0 50 FFAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc4ccccc4c3)CC2)[C@H]1O 72123894 AIPASIXMEMLSNN-RTWAWAEBSA-N 373.456 2.783 0 50 FFAA OC1(Cc2cccc(F)c2)CC(N[C@H](c2cccnc2)c2ncc[nH]2)C1 366428284 IQZFDHCIMNAVDA-QPIRBTGLSA-N 352.413 2.759 0 50 FFAA CCCn1c(C)nnc1CN1CCC(NC(=O)c2cc(C)oc2C)CC1 156382651 UGWMPIVAELFVIT-UHFFFAOYSA-N 359.474 2.601 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@H](C(=O)O)C1 237768629 OVHPFYSVELEEBS-JTQLQIEISA-N 351.765 2.520 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1CCN1CCOCC1 77302864 YXOJJSAYCACVQO-LJQANCHMSA-N 368.481 2.794 0 50 FFAA O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cncc(-n2ccnn2)c1 283260818 RWFDEHBLNJEUIO-HOCLYGCPSA-N 360.421 2.903 0 50 FFAA Cc1nnc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)o1 286644208 XLFQEUFASXWTGO-ZDUSSCGKSA-N 354.332 3.000 0 50 FFAA Cc1noc(C)c1C[C@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 176281349 GKOAGLKQYXZSCT-GXFFZTMASA-N 362.396 2.500 0 50 FFAA COc1ccc(CCC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)cc1 82099190 HSVJJGCMKHVXQP-UHFFFAOYSA-N 368.433 2.512 0 50 FFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F 288877727 OKWKGCMZWBSCTN-NOZJJQNGSA-N 354.332 2.760 0 50 FFAA CC(C)COc1ccccc1CN(C)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 223854851 MVNVQWBPEBUTOG-QAQDUYKDSA-N 357.502 2.687 0 50 FFAA CCC[C@H](NC(=O)Nc1cc2c(cc1C)n(C)c(=O)n2C)c1nccn1C 426563496 XHDGFPZPYGLABY-ZDUSSCGKSA-N 370.457 2.582 0 50 FFAA Cc1cc(N2CCC(N3CC(Oc4ccccc4Cl)C3)CC2)nc(N)n1 95384047 JQTSATLDTXQTBA-UHFFFAOYSA-N 373.888 2.753 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)Cn1ccnc1-c1ccccc1 95513061 DWBQNDBIBREMDU-SFHVURJKSA-N 350.422 2.791 0 50 FFAA COc1cc2c(cc1C(=O)N1CC[C@@](O)(C3CCOCC3)[C@H](C)C1)CCC2 91708203 PZPNAKQUZDUTJN-QRQCRPRQSA-N 373.493 2.824 0 50 FFAA O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@@H]1CC[C@@H]2O[C@H]2C1 238808861 DJUWPHRCMMMSCV-LMMHAMTPSA-N 366.454 2.768 0 50 FFAA Cc1ccnc(-n2nc(C)nc2[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 97831131 AIUBDYDDRFQPQQ-CQSZACIVSA-N 371.466 2.806 0 50 FFAA CCc1cc(N2CCC(N3CC(c4ccccn4)C3)CC2)nc(N(C)C)n1 95523861 ZCXXXTMUQWZDAQ-UHFFFAOYSA-N 366.513 2.568 0 50 FFAA COCc1cc(CN(C)C(=O)c2ccc(CN3CCCCC3)cc2)n[nH]1 97694869 RYVNLLKLXXIUSL-UHFFFAOYSA-N 356.470 2.814 0 50 FFAA Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1Cl 239254621 YNKZVSRQWTVSBC-MCKLEBTQSA-N 370.836 2.640 0 50 FFAA Cc1ccc2nc(COCC(=O)N[C@H](C)c3nc(CC(C)C)no3)[nH]c2c1 97547577 WAPBKUMUSQVTBI-CYBMUJFWSA-N 371.441 2.847 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(OC)c1OC)C2 91738352 XGHRAZCEFAEXBV-JKSUJKDBSA-N 362.470 2.545 0 50 FFAA Cc1ccn2c(C(=O)NCc3csc(N4CCCC4)n3)c(C)nc2c1 97772842 KULKBDPIQRRKCD-UHFFFAOYSA-N 355.467 2.938 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1CCCC[C@H]1CN1CCOCC1 97743467 HVQSNJBKRXXGMY-NRFANRHFSA-N 354.498 2.867 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)CN2CCCC2)C3)cc1 96135919 RZCQGFGLEQCIRU-OAHLLOKOSA-N 368.481 2.702 0 50 FFAA O=C(NC[C@H]1CNCCOC1)Nc1ccc(-c2nc3ccccc3o2)cc1 96140080 RLJJHQAZHYIZDW-CQSZACIVSA-N 366.421 2.852 0 50 FFAA C[C@@H](C(=O)Nc1ccccn1)N(C)Cc1cnn(-c2ccc(F)cc2)c1 244601766 DRLIZNUKKRVAHF-AWEZNQCLSA-N 353.401 2.865 0 50 FFAA CCOc1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1OC 298726099 KDJYHOUMBAKABZ-HNNXBMFYSA-N 371.441 2.674 0 50 FFAA CCCSc1ccccc1NC(=O)N1CCc2n[nH]c(C(=O)NC)c2C1 299763307 ZARZSWQCNSCMRC-UHFFFAOYSA-N 373.482 2.862 0 50 FFAA Cc1cccc(CNC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 299781873 OYZARQRTNNLPIN-GOSISDBHSA-N 368.437 2.621 0 50 FFAA Cc1nc(-c2cccc(C(=O)N(C)Cc3noc(CC(C)C)n3)c2)nn1C 299773240 BEJWEHQCABNVMZ-UHFFFAOYSA-N 368.441 2.644 0 50 FFAA COCc1nc2cc(NC(=O)Cc3ccccc3)cc(C(=O)O)c2n1C 299799029 WYCPIPCBSBEGPS-UHFFFAOYSA-N 353.378 2.599 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)C1(N2CCCC2)CCCC1 827661166 JCLBEFULVFOTSL-UHFFFAOYSA-N 356.514 2.571 0 50 FFAA COc1c(N)ccnc1-c1ccc(C(=O)N[C@@H](C)CCn2cccn2)cc1 584887955 ITDFPFFESMWENV-AWEZNQCLSA-N 365.437 2.745 0 50 FFAA C[C@H]1C[C@@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 271227925 HUMSDJCPBDFTRA-HOCLYGCPSA-N 351.516 2.827 0 50 FFAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)ccc1C 170600628 DBEIDCBBDVWAPO-CQSZACIVSA-N 350.415 2.698 0 50 FFAA N[C@@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 191325389 CMNBEFODYOCESY-CYBMUJFWSA-N 371.441 2.698 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3onc(C)c3C)CC2=O)cc1Cl 1851515389 NLQNMFZVLATLCM-LLVKDONJSA-N 363.801 2.945 0 50 FFAA CNC(=O)C[C@@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506421984 XYDHHPWPIRGJRV-HNNXBMFYSA-N 366.527 2.748 0 50 FFAA CCc1cc(N[C@H](CCn2cncn2)c2ccccc2)nc(N(C)C)n1 1529109541 DIACKLODSBBRJT-QGZVFWFLSA-N 351.458 2.940 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)c(C)o1 213214175 MNFVKHQRSZCLIY-CABCVRRESA-N 357.362 2.566 0 50 FFAA O=C(c1ccnc(NC2CCN(Cc3ccco3)CC2)c1)N1CCCC1 1704351143 OEHWXSAVNNYGLY-UHFFFAOYSA-N 354.454 2.987 0 50 FFAA CN(C)C(=O)c1cccc(N2CCC3(CC2)OCCc2ccsc23)n1 1704313620 KBIXGGQHKZHNQT-UHFFFAOYSA-N 357.479 2.913 0 50 FFAA c1ccc(CC[C@]23CN(Cc4cc[nH]n4)C[C@H]2CN(c2cnccn2)C3)cc1 1772816624 QHPCICPYXFJZKM-SIKLNZKXSA-N 374.492 2.771 0 50 FFAA Cc1cnnn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 11690572 GOTUNHRTMGQTLC-OAHLLOKOSA-N 361.405 2.567 0 50 FFAA COc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 12301269 XMUHVPMWYKAIDO-UHFFFAOYSA-N 374.510 2.758 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCCc2ccccn2)o1 12508581 DIRJTSJHWPZGDL-IBGZPJMESA-N 353.466 2.944 0 50 FFAA COc1ccc([C@@H]2C[C@H](c3cc(OC)ccc3OC)n3nnnc3N2)cc1 13123450 JXTCSMVOHMBOSO-DLBZAZTESA-N 367.409 2.845 0 50 FFAA O=C(NCCC1=CCCCC1)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 169768906 ULNWJIQZVQEOBY-UHFFFAOYSA-N 363.421 2.705 0 50 FFAA CC1(C)CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@H]1c1ccccc1 152678434 CCMCFZAXBZDBAE-SFHVURJKSA-N 352.434 2.817 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H]3CC(=O)N[C@@H]3C2)o1 1857701850 RWZDHRUIHYIZJK-MAUKXSAKSA-N 362.433 2.761 0 50 FFAA CC[C@@]1(C(=O)N2CCCCCC2)C[C@@H]2CC[C@H]1N2Cc1c[nH]nc1C(=O)O 1857724958 GVZPQMWMRLLPEB-RZQQEMMASA-N 374.485 2.644 0 50 FFAA Cc1cc(Cl)cc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c1 1857740661 SSOJEFHKYMXWED-FCEWJHQRSA-N 362.857 2.846 0 50 FFAA O=C(NCc1cc(Cl)ccc1N1CCOCC1)c1cn2ccccc2n1 225591298 KOWJHIVHKRRKQH-UHFFFAOYSA-N 370.840 2.754 0 50 FFAA CN1CCN(c2cc(C(=O)N3CCc4ccc(Cl)cc43)ccn2)CC1 112280052 HFUBWBJRZYMIAW-UHFFFAOYSA-N 356.857 2.690 0 50 FFAA CC(C)n1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 332327242 RRPYDTIXCJSNGX-UHFFFAOYSA-N 361.877 3.467 0 50 FFAA Cc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1Br 237842535 JSTILQLRLVRHEY-UHFFFAOYSA-N 370.243 2.853 0 50 FFAA Cc1ccc2c(n1)OCCN2C(=O)c1ccccc1Oc1cnn(C)c1 375705989 IJICOMNYOQULSE-UHFFFAOYSA-N 350.378 2.955 0 50 FFAA CC(C)c1ccoc1C(=O)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818493805 DRDGJHUAFAUUMA-IBGZPJMESA-N 359.426 2.873 0 50 FFAA O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CC[C@](O)(c2cnn[nH]2)C1 868178180 WIBZDCAZOBDFQJ-FRQCXROJSA-N 374.872 2.852 0 50 FFAA Cc1ccc(C)c(OCC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c1 952851158 GRHUVJSMAWWSBT-JXFKEZNVSA-N 355.438 2.954 0 50 FFAA O=C(O)c1cc2ncc(-c3cc(F)ccc3OC[C@H]3CCOC3)cn2n1 874970557 RYNCVWPDYXZDHI-NSHDSACASA-N 357.341 2.649 0 50 FFAA C[C@@]1(CNC(=O)[C@@H]2OC(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1875309111 RNLGGCBERFEURQ-KNQAVFIVSA-N 364.445 2.927 0 50 FFAA Cc1nc(O)cc(N2CCC3(CC2)C[C@H](C)N(C(=O)[C@H]2CC2(C)C)C3)n1 1875407578 DBEHHSPTGGEFRU-DZGCQCFKSA-N 358.486 2.744 0 50 FFAA COc1cc(-c2nnc([C@@H]3CCCO[C@H]3c3ccnn3C)o2)cc(C)n1 886095058 LEAIZWRRNQZJLN-CZUORRHYSA-N 355.398 2.817 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC1=NS(=O)(=O)c2ccccc21 301508066 DKUKMJYPMOQTQL-CRAIPNDOSA-N 369.490 2.636 0 50 FFAA O=C1CC(CC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC(=O)N1 2325780322 YCYGVJDIYILUNL-IBGZPJMESA-N 364.392 2.518 0 50 FFAA N=c1[nH]c(N2Cc3ccccc3[C@@H](N)C2)nc2ccc(Br)cc12 2325858606 UKFCRTWYLSIAFT-AWEZNQCLSA-N 370.254 2.825 0 50 FFAA C[C@H]1Cn2nc(C(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc2CN1 2325870915 UNUGEMYKSGDKPZ-JTQLQIEISA-N 357.414 2.890 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 810407 REPRYPURDWYOEL-CYBMUJFWSA-N 355.369 2.776 0 50 FFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 1159445 CFHLOTNPPUHLCN-UHFFFAOYSA-N 356.806 2.982 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)NC[C@@H](O)c3cccc(O)n3)oc12 2356156667 MBPBRWYNXVEUMI-GFCCVEGCSA-N 362.769 2.659 0 50 FFAA COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 4809475 DNTBUNNTKNTVTP-UHFFFAOYSA-N 355.799 2.936 0 50 FFAA CC(C)(C)NC(=O)COc1ccccc1C(=O)NCCc1ccccc1 4841688 YTJBXZWNSYYFLZ-UHFFFAOYSA-N 354.450 2.953 0 50 FFAA C[C@H]1CN(c2ncc(C(F)(F)F)s2)CCN1C(=O)c1cscn1 413335613 XKPDUYFOEJFIRF-QMMMGPOBSA-N 362.402 2.969 0 50 FFAA O=C(c1ccccc1F)N1CCC(C(=O)n2nnc3ccccc32)CC1 9341270 KYOODEGMGHCUMZ-UHFFFAOYSA-N 352.369 2.763 0 50 FFAA Cc1nc(C)n(C[C@@H](C)C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)n1 55042586 IFEPILPNZUJYLL-GFCCVEGCSA-N 354.410 2.893 0 50 FFAA O=C1C[C@H](c2ccc3c(c2)OC(F)(F)O3)c2c(nc3sccn23)CN1 65531083 CAYPFLIKYIGFBP-SECBINFHSA-N 363.345 2.869 0 50 FFAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1-c1ccccc1F 67846625 UUIGZZQSBAKOKW-LIRRHRJNSA-N 369.440 2.559 0 50 FFAA CC[C@H]1CN(CCC(=O)NCc2ccncc2)Cc2cc(OC)ccc2O1 12205814 BKWUSZXSFPLEPX-SFHVURJKSA-N 369.465 2.770 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)CC2CCCCC2)cc1 252503338 VBNBDRQFHKOFOY-OAHLLOKOSA-N 368.499 2.791 0 50 FFAA CCN(C(=O)[C@@H](C)N1CCC(N2CCCCC2=O)CC1)c1ccccc1 120298457 YJXILFCSXFSLQI-QGZVFWFLSA-N 357.498 2.905 0 50 FFAA Cn1nccc1[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)OCCO2 280907162 DAZKIMGNACZZII-INIZCTEOSA-N 356.426 2.628 0 50 FFAA O=C(COc1ccc(CN2CCC3(CCNCC3)CC2)cc1)N1CCCC1 72165883 PBAAHMHAMKLGMR-UHFFFAOYSA-N 371.525 2.653 0 50 FFAA COc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)n(C)c1nc3ccccc3n21 4708474 JTHAGGCZVPGEPM-ZDUSSCGKSA-N 374.400 2.669 0 50 FFAA Cc1nn(C)c2nc(-c3cccnc3)nc(N(C)CCc3ccccn3)c12 72433026 UNPPVQHMPSLTIE-UHFFFAOYSA-N 359.437 2.808 0 50 FFAA Oc1cc(CC[C@H]2CCCCN2)cc(-c2cc(N3CCOCC3)ncn2)c1 71749465 RBXNKADMYJAMSC-GOSISDBHSA-N 368.481 2.761 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(CC)nn3C)C2)CCC1=O 77299702 IAVWROJLDRJGOC-HXUWFJFHSA-N 360.502 2.627 0 50 FFAA Cc1ccc2oc(N3CCOC[C@H]3c3ncn(CC(F)(F)F)n3)nc2c1 253418148 KLCDFIZUNMNHIA-LBPRGKRZSA-N 367.331 2.868 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)cc1 238115059 LWCNKCFUTBDZSD-SFHVURJKSA-N 356.397 2.805 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@H](C)CN3C[C@@H](C)C[C@H](C)C3)CC2)n1 130989692 XZDGDQVEGZGGOB-SOUVJXGZSA-N 363.506 2.633 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2cccnc2)nc2c1CNC2 72165798 OBJPYDPQHBQPOE-UHFFFAOYSA-N 363.469 2.799 0 50 FFAA O=C(c1ccon1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72171583 VYARMXQNDTWSIJ-FSPWUOQZSA-N 359.376 2.655 0 50 FFAA O=C(C[C@@H]1CSCCS1)N1CCC(c2nncn2C2CC2)CC1 128090513 WJVNAHKSSMGZMY-CQSZACIVSA-N 352.529 2.558 0 50 FFAA CNC(=O)c1ccc(CS(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 451582844 VTTIMDMMNMWDTN-LJQANCHMSA-N 372.490 2.756 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2cc(N3CCCCC3)ccc2Cl)C[C@H]1O 72478108 ZWUQTOITBXIWNZ-IEBWSBKVSA-N 366.889 2.678 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72406914 SLCYVIKRJMPJSZ-QGZVFWFLSA-N 356.470 2.538 0 50 FFAA CCc1ccccc1CN1CCC2(CC1)C[C@@H](C(=O)O)N(C(=O)C1CC1)C2 72429537 MVFKMOLWTUPDPQ-IBGZPJMESA-N 370.493 2.927 0 50 FFAA COCc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)o1 39363032 AWXLAORHNRSIEM-HXUWFJFHSA-N 372.509 2.927 0 50 FFAA Cc1nccn1CCCC(=O)N1CCN(c2nc3ccccc3s2)CC1 72421902 GSKDMHOCGJMRTL-UHFFFAOYSA-N 369.494 2.930 0 50 FFAA Cc1ccccc1C(=O)N1CCCC[C@@H]1C(=O)Nc1nncn1C1CC1 375903885 SVTJVFILGBJKFQ-MRXNPFEDSA-N 353.426 2.555 0 50 FFAA C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(OCC(=O)O)cc1 263147591 UQDPENAOCZBENP-CJNGLKHVSA-N 355.390 2.579 0 50 FFAA N[C@@H]1CCC[C@H](C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)C1 237976050 IYGZNOLXUHSBAH-GVDBMIGSSA-N 355.482 2.647 0 50 FFAA CCCc1ccc(S(=O)(=O)NCc2cccc(C(=O)N(C)C)c2)cc1 46812941 FJTQXSWREIFNCG-UHFFFAOYSA-N 360.479 2.819 0 50 FFAA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 241126061 JJELPRJDHKBZDV-GXTWGEPZSA-N 364.269 2.646 0 50 FFAA COC(=O)C[C@@H](C)N1CCN(C(=O)c2cc3ccc(C)cc3nc2C)CC1 174375438 QFJYFLBLOFFGBH-OAHLLOKOSA-N 369.465 2.561 0 50 FFAA CN(C)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cc1 222633177 SOKBPDWDVLDXNF-MOPGFXCFSA-N 358.413 2.858 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 175690520 FOAANKLVNGAUTP-IBGZPJMESA-N 367.511 2.875 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 426597186 GRXMQKPPIBYFED-UHFFFAOYSA-N 364.405 2.802 0 50 FFAA CN1C[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)OCC1=O 221295910 DBIWUFNTEGIDTM-MRXNPFEDSA-N 364.873 2.515 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCCc2nc(C)c(C)s2)c1 426496986 RRXQMJYIYIKESW-UHFFFAOYSA-N 362.455 2.709 0 50 FFAA CSCCN1CCN(C(=O)c2cccc(-c3ccccc3CO)c2)CC1 426358922 FJKAZSIRAPUVIC-UHFFFAOYSA-N 370.518 2.967 0 50 FFAA Cc1cccn2cc(C(=O)N(CCCn3ccnc3)Cc3ccncc3)nc12 97679738 JXLLDOPUMPLDTB-UHFFFAOYSA-N 374.448 2.967 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)O 236602817 NKEILEYWIPSLQD-IIDMSEBBSA-N 362.470 2.525 0 50 FFAA COc1ccc2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)[nH]c2c1 95355645 JGKXWPBNOMOHAJ-AWEZNQCLSA-N 368.437 2.693 0 50 FFAA O=C(c1ccccn1)N1CCC(N2CCC[C@](CO)(CC3CC3)C2)CC1 92061834 MHPJSNVFZIIMRF-NRFANRHFSA-N 357.498 2.561 0 50 FFAA CCCOC[C@H]1CCN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)C1 91563267 JDVUSNFZWHBAIF-HNNXBMFYSA-N 355.438 2.634 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](OCc2ccccn2)C1 95376361 LXDFYSGFRKUFKT-SFHVURJKSA-N 364.449 2.948 0 50 FFAA COc1ccc(-c2noc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)n2)cc1 294297822 WBMRMVTXYPCSOD-KBMXLJTQSA-N 357.410 2.963 0 50 FFAA Cn1cc(Cl)c(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)n1 97272488 HZRWWPJGCCEUMX-HNNXBMFYSA-N 363.845 2.774 0 50 FFAA CC1(C)CN(CC(F)(F)F)CCN1Cc1cc2ccccc2[nH]c1=O 182248937 GXECLSRZZKETPH-UHFFFAOYSA-N 353.388 2.987 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)/C=C/c1ccco1)CC2 299265704 JFHMTWQEBIFUCV-SQRWCISFSA-N 371.389 2.911 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1 286549181 HLYFEFGZEZCHHV-ROUUACIJSA-N 369.469 2.889 0 50 FFAA CCN1Cc2nc(OC)c(CNC(=O)N3CCCCCCC3)cc2C1=O 584884978 ZWEKUZPRXOUEGY-UHFFFAOYSA-N 360.458 2.542 0 50 FFAA COc1cccc(OCc2nc(CCN)n(Cc3ccc(F)cc3)n2)c1 952966656 IVYZZGFSQCUZDD-UHFFFAOYSA-N 356.401 2.554 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccc([C@@H]2CCCO2)s1 952965840 UPYVGUQBYHDMNG-ZDUSSCGKSA-N 371.422 2.836 0 50 FFAA O=C(C[C@H](Cc1ccccc1)c1ccco1)N1CCOC2(CCNCC2)C1 952963203 GMFNKLSEZXFKOJ-IBGZPJMESA-N 368.477 2.977 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccc2c(c1)CCC2 1565513714 YDYKTVYWIUDFBE-PMACEKPBSA-N 352.434 2.674 0 50 FFAA COc1ccc(F)c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c1 1565505542 CBODHBWJNQIEBW-RDJZCZTQSA-N 369.440 2.966 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)[C@H](C)OC[C@H]3CCCCO3)CCO2)c1 268990293 GCPNBQURXKZSOH-IPELMVKDSA-N 363.454 2.569 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@@H](n3cncn3)C2)ncn1 275486790 AHNFAEUYJZLGHE-MDZRGWNJSA-N 371.489 2.525 0 50 FFAA CCc1cc(=O)n2nc(N[C@@H](C)c3nc4cc(OC)ccc4[nH]3)sc2n1 170619666 HPAXOQGXCWWENZ-VIFPVBQESA-N 370.438 2.771 0 50 FFAA O=C(NS(=O)(=O)N1CCc2ccccc21)c1ccc2c(c1)CCCC2 729902258 MEIWDJIMQJGVQF-UHFFFAOYSA-N 356.447 2.603 0 50 FFAA CN1CCCN(CC(=O)Nc2ccc(-c3cccc(F)c3F)cn2)CC1 1506407429 OBXFRIVNFXMRCB-UHFFFAOYSA-N 360.408 2.603 0 50 FFAA CNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 657755 UTKVVOCMWCMKRN-PTNGSMBKSA-N 359.223 2.966 0 50 FFAA Cc1nnc(CN2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)o1 1529105510 DRWQPJADBSRLJK-QGZVFWFLSA-N 354.454 2.532 0 50 FFAA O=C(O)c1cncc(N2CCCN(c3nc4ccccc4s3)CC2)n1 1529167854 PFUPSRMKODCXGW-UHFFFAOYSA-N 355.423 2.501 0 50 FFAA CC[C@H](C)[C@H](N)C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704343473 HVGNPKHPHFRACW-KSSFIOAISA-N 355.482 2.932 0 50 FFAA Cc1nc2ccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)cc2s1 1704300679 ULFUNMODHMRBIO-APWZRJJASA-N 373.478 2.616 0 50 FFAA Cc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCOCC2)cc1 5627900 KHTJCLFEEMPWGX-UHFFFAOYSA-N 350.422 2.820 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)Cc2ccon2)no1 12434207 OKUNWFVURFGFNN-UHFFFAOYSA-N 351.366 2.641 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2cn(C)nc2C)co1 12459162 XUPPSGVDWOGCPA-UHFFFAOYSA-N 370.409 2.543 0 50 FFAA COc1cc2c(cc1CNCc1cccnc1N1CCC[C@@H](O)C1)CCC2 12479186 RXYFULLUKKGABO-HXUWFJFHSA-N 367.493 2.830 0 50 FFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC[C@H]1c1nccs1 12589431 GHLSFWKYGKAEJM-HNNXBMFYSA-N 357.414 2.899 0 50 FFAA Cc1c(C(=O)N[C@H](C)CO)sc2ncnc(NCCc3ccccc3)c12 14993889 HMQTYFWGAHLSGF-GFCCVEGCSA-N 370.478 2.765 0 50 FFAA Cc1cc(C(=O)N2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)n[nH]1 15000545 GARKXWUBCJNSPM-UHFFFAOYSA-N 362.433 2.746 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531589 FQFCUGIKBMTTAF-GWCFXTLKSA-N 364.837 2.555 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531592 FQFCUGIKBMTTAF-ZWNOBZJWSA-N 364.837 2.555 0 50 FFAA O=C(CCn1nc2ccccn2c1=O)N1CC[C@H](c2ccc(Cl)cc2)C1 110487081 NQHSAPHHVDIFEI-HNNXBMFYSA-N 370.840 2.556 0 50 FFAA C[C@H](C(=O)N1CCO[C@H](c2ncon2)C1)c1ccc(Br)cc1 332411626 ROPWQPDWVDLGSF-GWCFXTLKSA-N 366.215 2.536 0 50 FFAA Cc1c(C(=O)N(C)[C@@H]2CCCN(C)C2)nnn1-c1ccc(F)c(Cl)c1 153755623 FANLCNPJMAOGMR-CYBMUJFWSA-N 365.840 2.534 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)[C@H]1c1cccnc1 265081573 INUINBSVZJVLEZ-BPNMZHPVSA-N 353.466 2.638 0 50 FFAA C[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)C1CCC(C)(O)CC1 1875263551 CSQXYTGUFVYJFX-FBZXTUTASA-N 358.482 2.765 0 50 FFAA Cc1nc(-c2ccccn2)cc(=NC[C@](C)(O)c2ccc(F)cc2F)[nH]1 1875255405 WLXPLPZSERFFIH-IBGZPJMESA-N 356.376 2.867 0 50 FFAA CN1C(=O)CCc2cc(Cn3c(Cc4ccc(F)cc4)noc3=O)ccc21 1875315790 HSVTVMOSJPROPO-UHFFFAOYSA-N 367.380 2.524 0 50 FFAA COCc1cccc(C(=O)N2CC[C@@H]3CC[C@@]32c2nnc(COC)o2)c1 1875404601 OILNUFDFXNVCOE-KXBFYZLASA-N 357.410 2.514 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(CCCc3cccc(F)c3)C2)ccn1 886059647 LUDCRDFLYQBROL-OAQYLSRUSA-N 371.456 2.943 0 50 FFAA O=C(c1cc2c(F)cc(F)cc2[nH]1)N1CCC(N=c2cc[nH]cc2)CC1 2325804675 DXORVZWUECSNJR-UHFFFAOYSA-N 356.376 2.980 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H](F)c3ccccc3)C2)n[nH]1 2325842593 BQNROLHKFMUTPY-PBHICJAKSA-N 358.417 2.575 0 50 FFAA O=C1Cc2cccc(NS(=O)(=O)c3cccc(Br)c3)c2N1 2325866744 YNMUNCMOIIHYNA-UHFFFAOYSA-N 367.224 2.745 0 50 FFAA Cn1cncc1[C@H](O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 2325868758 JMVYLWIEYABAOV-ZANVPECISA-N 370.272 2.641 0 50 FFAA Cc1cc(Cc2nc(-c3cc(F)c(O)c(Br)c3)no2)n[nH]1 2325879107 IGRVAWJAUXEIOS-UHFFFAOYSA-N 353.151 2.966 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccn1 940471 RTUHPUQQFMVILA-QGZVFWFLSA-N 362.393 2.609 0 50 FFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1OCCCN1CCOCC1 2356144592 FENFKWWNWCRAEX-AERCQKQUSA-N 374.525 2.666 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)NC[C@H](O)c1cccc(O)n1 2356159094 LOGQWIUREZCILW-AWEZNQCLSA-N 358.419 2.891 0 50 FFAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 222058159 YAINDUZPDCUSGM-GXTWGEPZSA-N 372.391 2.971 0 50 FFAA CCCc1c(C(=O)N2CCN(C3CC3)CC2)nnn1-c1cccc(Cl)c1 109263048 XAGCXBKWBKDMLD-UHFFFAOYSA-N 373.888 2.793 0 50 FFAA C[C@H]1CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[S@](=O)C1 459541117 YSLOWHDXFNFKCL-GPQZVPNXSA-N 368.352 2.799 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)ccc1O 20255064 DAZZODRFLAAHLX-IBGZPJMESA-N 374.456 2.609 0 50 FFAA COc1ccc(-n2cnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1 67643355 YCOJFLWLPLNDOR-UHFFFAOYSA-N 367.428 2.737 0 50 FFAA C[C@@H](C(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1)n1cncn1 67847839 LYEBIAMUWNWOSC-HNNXBMFYSA-N 364.453 2.559 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2nccn2CC(F)(F)F)cn1 328622639 BKSNXIXHIBDNRR-DZGCQCFKSA-N 357.380 2.672 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCOCC4)C3)C2=O)c1 12073886 SKHSAPCUPQJCAP-QFIPXVFZSA-N 370.493 2.763 0 50 FFAA COc1cc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)cc(OC)c1OC 5029755 KWGFIMMPAQUONA-QGZVFWFLSA-N 374.368 2.983 0 50 FFAA O=C(NCc1nncn1CCc1ccccc1)[C@H]1CCc2ccccc2O1 219903632 JPZBXDIISFSFIC-LJQANCHMSA-N 362.433 2.531 0 50 FFAA O=C(NCCCn1ccccc1=O)[C@H](c1ccc(F)cc1)N1CCCCC1 217933503 MTTKEHRGORXRPX-FQEVSTJZSA-N 371.456 2.721 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC[C@H](N4CCCC4)CC3)n2)cc1 150769612 ZDROJDLCJKPRKK-KRWDZBQOSA-N 368.481 2.971 0 50 FFAA O=C(O)[C@]1(Cc2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1 71747586 DQBNFYDIHHWMJB-FQEVSTJZSA-N 363.421 2.576 0 50 FFAA Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 126654092 QVOOPFGYBFBKJN-WMZOPIPTSA-N 355.482 2.717 0 50 FFAA O=C(CCc1ccc(F)cc1F)N[C@@H]1CCOC[C@H]1OCC1CCC1 219062424 DPOCQIZMIRALJJ-QZTJIDSGSA-N 353.409 2.988 0 50 FFAA O[C@H](COC1CCOCC1)Cn1c(-c2cscn2)nc2ccccc21 127276324 YUMBTBBVCUMZLM-ZDUSSCGKSA-N 359.451 2.716 0 50 FFAA CC[C@H]1CN(C)c2ccccc2CN1CCN1C(=O)NC2(CCCC2)C1=O 127357279 LJTJPLRGMUFOBP-KRWDZBQOSA-N 370.497 2.582 0 50 FFAA O=C(NCCCc1ccncc1)C1(Oc2ccc(Cl)cc2)CCNCC1 77385981 IJAGNPRCTXNUGK-UHFFFAOYSA-N 373.884 2.985 0 50 FFAA CN(C(=O)NCC1(N)C2CC3CC(C2)CC1C3)C1Cc2ccccc2C1 333469212 DCLDDPVJVNBXKL-UHFFFAOYSA-N 353.510 2.949 0 50 FFAA CCn1ncc2cc(C(=O)N3Cc4cnnn4Cc4ccccc43)c(C)nc21 374069385 OOUONLFSVAQZOE-UHFFFAOYSA-N 373.420 2.560 0 50 FFAA Cc1noc2nc3c(c(C(=O)N[C@H]4CC[C@H]4NC4CCCC4)c12)CCC3 72410014 CGNJTUIMXXQUKA-CVEARBPZSA-N 354.454 2.813 0 50 FFAA O=c1n(Cc2ccc(F)c(F)c2)nc([C@@H]2CCCNC2)n1-c1ccccc1 71765085 LWDICIQWXDVQKB-OAHLLOKOSA-N 370.403 2.828 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N1CCCC[C@H]1CCn1ccnc1 223727387 JDCHWUHJUAIWAH-KRWDZBQOSA-N 364.449 2.669 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(C)c(Cl)c(C)c3)C(=O)[C@@H]2C1 286219517 XHHDYWJPBOWNOS-AAEUAGOBSA-N 350.802 2.677 0 50 FFAA CC(C)(C)N1C[C@H](CNC(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O 426425482 RQRVGTBSLWMRDS-HNNXBMFYSA-N 373.497 2.928 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc(F)c(F)c(F)c1 223286688 OCQZWHYKXWFUGH-HZPDHXFCSA-N 357.372 2.903 0 50 FFAA CCCn1nc(C)c(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)c1C 20602473 PZFJUTAKPSDUPZ-UHFFFAOYSA-N 373.910 2.600 0 50 FFAA Cn1cc(C(=O)N2CCc3ccccc32)c(C(=O)N2CCc3ccccc32)n1 20616694 GMTSCZWEOLTVSK-UHFFFAOYSA-N 372.428 2.826 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)[C@@H]1CCOC1 20906218 HLOBHZCZGWMKEM-TZIWHRDSSA-N 366.461 2.775 0 50 FFAA O=C(CSc1ccccn1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 223108580 BLWYHIFBIYDHDY-CVEARBPZSA-N 362.426 2.666 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(Cc2ccncc2)CC1 91636754 JPEHCBBPUXYLEA-UHFFFAOYSA-N 368.529 2.966 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 237045985 TYSZMHARKHTQGO-HNNXBMFYSA-N 356.353 2.608 0 50 FFAA CC1=NC(=O)C2(CCN(C(=O)c3[nH]c4c(C)ccc(C)c4c3C)CC2)N1 91663289 KZTKKBNANLCDNB-UHFFFAOYSA-N 352.438 2.616 0 50 FFAA NC(=O)c1ccccc1-c1ccccc1OC[C@@H](O)CN1CCCCC1 96180155 GYAPSBHPQRVEGL-INIZCTEOSA-N 354.450 2.678 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)n[nH]2)c1 91468940 JFYHUAGZERDWHH-CQSZACIVSA-N 354.454 2.784 0 50 FFAA CCCOc1ccc(NC(=O)N[C@H]2CN(C)C[C@@H]2OCC)cc1Cl 95524143 ACRMIDDGIRYLTC-HOCLYGCPSA-N 355.866 2.969 0 50 FFAA CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)[nH]n1 91876596 JZQMVIQRTMDKRX-MAUKXSAKSA-N 366.465 2.739 0 50 FFAA Cc1cnn(CCNC2CCN(c3ncnc4sc(C)cc34)CC2)c1 96131332 GSQQXOZLPWZJSY-UHFFFAOYSA-N 356.499 2.763 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 91625305 VPJBVEIPGWWKSB-UHFFFAOYSA-N 365.437 2.630 0 50 FFAA CCCN1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O 91769691 RDNWABFVEWJIGV-NRFANRHFSA-N 355.482 2.909 0 50 FFAA O=C(NCCc1nc(-c2ccccn2)no1)c1ccc2cccc(F)c2n1 91678017 HAAWRBFEJSDMLC-UHFFFAOYSA-N 363.352 2.791 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1csc(C)c1)CC2 91270325 MJWWNQXVPYNWKH-UHFFFAOYSA-N 350.484 2.548 0 50 FFAA c1cnn(Cc2nnc(C3CCN(Cc4ccncc4)CC3)n2C2CC2)c1 91952381 NSEKQQVBCXHDRR-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA CC[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)C1 243892615 AJSIEHLMUSCGDN-ABYOOWDOSA-N 352.228 2.984 0 50 FFAA CCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1OC 245312591 WFJGUFDWNHQOKC-DUXKGJEZSA-N 360.498 2.890 0 50 FFAA CC(C)c1cc(CN(C)Cc2cc(=O)n3nc(C4CC4)sc3n2)on1 244816936 SRKDJPUIUNJNCD-UHFFFAOYSA-N 359.455 2.772 0 50 FFAA CC[C@H]1CCCC[C@H]1OCC(=O)N(C)c1ccc(N2CCOCC2)nc1 183943268 OKCJMJGIBZDXAB-FUHWJXTLSA-N 361.486 2.866 0 50 FFAA COc1ccc(OCC2CCN(C(=O)COC[C@H]3CCCO3)CC2)cc1 252485068 GNFUSKUOCBBQKY-LJQANCHMSA-N 363.454 2.508 0 50 FFAA CCOc1ccc([C@H]2Cn3nnc(-c4nc(C)no4)c3CO2)cc1Cl 263619432 YPYJDUSDMZFODI-CQSZACIVSA-N 361.789 2.960 0 50 FFAA COc1cccc(CN(C(=O)NCc2nc(N)n[nH]2)C2CCCCCC2)c1 534632978 HWVCJUBDMQLLEE-UHFFFAOYSA-N 372.473 2.830 0 50 FFAA COC(=O)[C@@H]1C[C@H](C(=O)NC2CCCC2)[C@H](c2cccc(F)c2F)N1C 55228568 HOFHDLQDBCQOTN-QRTARXTBSA-N 366.408 2.558 0 50 FFAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cnc(-c2cccnc2)nc1 95353650 URVKSGWQOYZOCS-LJQANCHMSA-N 373.460 2.758 0 50 FFAA COc1ccccc1OC1CN(C(=O)NCCCn2nc(C)c(C)c2C)C1 584901289 OWTNQNAVHWGRHT-UHFFFAOYSA-N 372.469 2.680 0 50 FFAA CC(C)C(=O)N1CCC[C@H](NC(=O)N2CCC(c3cccc(O)c3)CC2)C1 584897311 JXRHRGCMCKUHBO-SFHVURJKSA-N 373.497 2.928 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)COc1ccc(Cl)cc1C 952962607 GCZPKSKAPPCVMI-OAHLLOKOSA-N 352.862 2.887 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2cnc(C)nc2)cc1 1565509225 HYOYSYPNBINTPB-MJGOQNOKSA-N 366.465 2.530 0 50 FFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@@H](C)c1ncn(C)n1 170602361 CDUVPJMRWIIHKS-LBPRGKRZSA-N 372.860 2.691 0 50 FFAA NC(=O)N1CCCc2ccc(NC(=O)c3cc4c(nc3O)CCCC4)cc21 279203737 MGQHLJKIKYNGQA-UHFFFAOYSA-N 366.421 2.750 0 50 FFAA O=C(Nc1ccc(N2CCCC2)nc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 195160715 GEEYTPFHRWNAST-MRXNPFEDSA-N 365.437 2.609 0 50 FFAA Cc1cc(C)c(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)c(-n2cccn2)c1 1615738683 VWHDZSBXZZWZDN-UGKGYDQZSA-N 362.477 2.920 0 50 FFAA Cc1c(CN2CC[C@H]3[C@H](CCC(=O)N3CCCN)C2)[nH]c2ccccc12 217000706 PZKJXQAWSNGVLQ-UZLBHIALSA-N 354.498 2.638 0 50 FFAA O=C(Cc1cccc(F)c1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 219541264 KKXHPSWQJVVXNM-QAPCUYQASA-N 359.470 2.948 0 50 FFAA O=C(c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1)N1CCCCC1 1704336959 NVEXBJVDXMDMIG-MOPGFXCFSA-N 366.465 2.772 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc(-c4ccc(F)cc4)oc3C)C[C@H]2O)n[nH]1 1704329776 ZIVYLRMBMSLLHR-DNVCBOLYSA-N 370.428 2.856 0 50 FFAA Fc1ccc(-c2noc(Cn3cc(I)cn3)n2)cc1 6729180 FXHLLVIQVQBEEE-UHFFFAOYSA-N 370.125 2.725 0 50 FFAA NC(=O)c1cnc(C(=O)N(CCc2ccccc2)C2CCCCC2)cn1 1772706017 PPVHVEBDFNYIFJ-UHFFFAOYSA-N 352.438 2.593 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCCN(C3CCSCC3)CC2)s1 1772819629 XNDOYKCFZHNSLW-UHFFFAOYSA-N 352.525 2.994 0 50 FFAA CC(=O)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 11938285 JJLCYFCDIQKUSQ-FQEVSTJZSA-N 357.498 2.965 0 50 FFAA COCCn1c(CN(C)CCC(C)C)cnc1S(=O)(=O)CCC(C)C 12317197 XAYFZDYXVOXBMN-UHFFFAOYSA-N 373.563 2.827 0 50 FFAA CN(CC(=O)N[C@H]1CCCN(C2CCCCCC2)C1)Cc1cccnc1 12320270 PYCZTHYWSOTYPJ-IBGZPJMESA-N 358.530 2.817 0 50 FFAA Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)Cn2cccn2)C1 14969380 GTLARCKBXXLSCM-INIZCTEOSA-N 372.444 2.988 0 50 FFAA COCc1ccc(CN(C)Cc2nnc(SC)n2C[C@H]2CCCO2)o1 14971917 FJCPILNSXCGYNI-CYBMUJFWSA-N 366.487 2.550 0 50 FFAA CCOc1ccccc1NC(=S)NCC(C)(C)CN1CCOCC1 1857526907 MRAIYEYPGMRZBL-UHFFFAOYSA-N 351.516 2.730 0 50 FFAA Cc1c(-n2ccnc2-c2ccc3c(c2)OCO3)c(N2CCCC2)nn1C 1857687364 UERQOSXTFPPDGH-UHFFFAOYSA-N 351.410 2.910 0 50 FFAA CCc1cc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)on1 1857730298 PZNUUZCRFNGSEZ-NSHGMRRFSA-N 353.422 2.511 0 50 FFAA C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 121542900 XHXNBAYGGFBGNA-AWEZNQCLSA-N 354.454 2.751 0 50 FFAA CC[C@@H](Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1)C(=O)O 485394634 JKKDWBJCDGGRNF-NSHDSACASA-N 371.846 2.528 0 50 FFAA C=CC(=O)N(CC)CC(=O)N(C)[C@H](CO)c1cccc(Cl)c1Cl 912461195 GTXHZVIURKLLQT-CYBMUJFWSA-N 359.253 2.520 0 50 FFAA Cc1ccc(CC(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)cn1 952848428 GWVSTNBSDRDLIL-SJORKVTESA-N 353.470 2.826 0 50 FFAA C[C@](O)(CNC(=O)CC[C@H]1Cc2ccccc2CN1)c1ccc(F)cc1F 1875294733 VHKVCJILLITFRU-UWJYYQICSA-N 374.431 2.783 0 50 FFAA COc1ccc2c(c1)CC[C@@]2(O)CNC(=O)N[C@H]1CCc2c(O)cccc21 1875303617 FVDCFWZXWZIMTN-GHTZIAJQSA-N 368.433 2.521 0 50 FFAA CCc1ccsc1C(=O)N1C[C@H]2CC[C@H]1CN2Cc1nccnc1C 1875406512 GHPJNTTWOJHETG-CVEARBPZSA-N 356.495 2.898 0 50 FFAA CN1CCO[C@@H](CN[C@@H]2CCCc3cc(F)ccc32)[C@@H]1c1ccnn1C 886085119 BFGBVBIWXPDQAH-HOJAQTOUSA-N 358.461 2.598 0 50 FFAA NC(=O)N[C@H](CC(=O)N1CC2(CCC2)[C@@H]1c1cccnc1)c1cccs1 898409300 KZVBSJSTCIXUGP-PBHICJAKSA-N 370.478 2.996 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1C[C@H](CO)C[C@H]1CO 2325774452 FTIVWYXSFQGMBP-APWZRJJASA-N 364.445 2.510 0 50 FFAA Cc1ccc([C@@H]2CCCC[C@H]2C(=O)N[C@H](Cc2cnn(C)c2)C(=O)O)cc1 2325802874 BYXPMFSNIXOLHK-IPMKNSEASA-N 369.465 2.814 0 50 FFAA Cc1ccc([C@@H](N)CNC(=O)c2cccn3c(Br)cnc23)cc1 2325857013 MCGNBQGSUMFMRF-AWEZNQCLSA-N 373.254 2.835 0 50 FFAA C[C@H](CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C)NC(=O)CC(C)(C)C 2325867484 XHKNSGJSXXEJOD-MGNMYUMUSA-N 351.535 2.697 0 50 FFAA CC(=O)N1Cc2ccc(NC(=O)N[C@H]3CC[C@H](c4nc[nH]n4)CC3)cc2C1 2325872780 MRCVEGNVVULIKC-SAZUREKKSA-N 368.441 2.515 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 2325889144 BJGYPRHWASDORA-CHWSQXEVSA-N 368.886 2.726 0 50 FFAA C[C@@H](CCc1c[nH]c2ccccc12)N1CCC(n2cc(CO)nn2)CC1 20452368 SFSSXHZZJCULLX-HNNXBMFYSA-N 353.470 2.910 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 982870 CAEVTJXJUMCKLV-UHFFFAOYSA-N 373.789 2.832 0 50 FFAA COc1ccc(C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)cc1F 2356168757 MHROPMSMKGXWPC-UHFFFAOYSA-N 366.396 2.791 0 50 FFAA Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 6701326 QJIYTCUANMITLH-MRXNPFEDSA-N 368.433 2.873 0 50 FFAA CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ncccn3)CC2)cc1 7814144 ZIDNLXGACQKCFW-UHFFFAOYSA-N 354.454 2.502 0 50 FFAA CCN(CCCN1CCCC1)C(=O)c1ccc(OCC(F)(F)F)nc1 225576646 FOVQXUVVIUVHLL-UHFFFAOYSA-N 359.392 2.971 0 50 FFAA CC(C)(NC(=O)c1cccs1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 55099924 BJUGNTPGRNGFGM-INIZCTEOSA-N 371.506 2.647 0 50 FFAA COc1cnc(N2CCC[C@H](Cc3cccnc3)C2)nc1-c1ccnn1C 23581303 OILSIRHHHDTFEQ-MRXNPFEDSA-N 364.453 2.740 0 50 FFAA Cc1ncc(C(C)C)c(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)n1 65381340 CJARKVQCXADVTJ-UHFFFAOYSA-N 362.909 2.926 0 50 FFAA COc1ccc(OC)c(CN2CCc3nc[nH]c3[C@@H]2c2ccccn2)c1 67855907 WGTOEDKPSWJOAQ-FQEVSTJZSA-N 350.422 2.970 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 65526521 PQUOQDSLCBDJAO-OAQYLSRUSA-N 360.461 2.588 0 50 FFAA COc1cccc(OCc2cc(C(=O)N(C)Cc3nccs3)n[nH]2)c1 67654478 YCOOICGXQTYHBQ-UHFFFAOYSA-N 358.423 2.726 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@]3(C)C[C@H]4CC[C@H]3O4)C2)c1 249475068 JILLLGLYCMHPBB-OQMKNBQHSA-N 374.481 2.604 0 50 FFAA O=C(Nc1cccc2[nH]cnc12)[C@@H]1CCCN1C(=O)Cc1cccs1 118728838 XSJXNBZVBKPFBC-HNNXBMFYSA-N 354.435 2.797 0 50 FFAA COc1ccc(-c2cn3c(C(=O)N4CC=C[C@@H]4CO)csc3n2)cc1F 67643120 BROWLQDWZZLIHM-GFCCVEGCSA-N 373.409 2.583 0 50 FFAA c1ccc(-c2cn(C3CCN(c4cc(-n5cccn5)ncn4)CC3)nn2)cc1 63845819 PEGFSWBTQPFLGD-UHFFFAOYSA-N 372.436 2.762 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H]1CCCN1)CCO2 67648945 NULQVDMDAFDQLE-GOSISDBHSA-N 352.434 2.841 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1 67649732 PYZDMDNYIHBZOB-QGZVFWFLSA-N 360.502 2.523 0 50 FFAA O=C(O)[C@H]1COCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 307122452 LTFXJQSQUFXUSI-CQSZACIVSA-N 367.401 2.969 0 50 FFAA Cc1c(Br)c(C(=O)Nc2ccc3c(c2)OCCO3)nn1C 2764605 QDGMHKWBJKNZNC-UHFFFAOYSA-N 352.188 2.515 0 50 FFAA CN(Cc1c(Cl)nc2ccccn12)C[C@@H]1CCCN1c1cccnn1 120360661 POQLXFIMVZUEJU-AWEZNQCLSA-N 356.861 2.879 0 50 FFAA CCCN1CCC(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)CC1 39445598 VPUXYFSIMLZSBK-OAQYLSRUSA-N 363.521 2.569 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C1CCOCC1 238069622 PEMYCTQANMGCPC-CABCVRRESA-N 353.365 2.551 0 50 FFAA O=C(Cn1ncsc1=O)NCCC(c1ccccc1)c1ccccc1 123993408 QHGZKNCRRINIPZ-UHFFFAOYSA-N 353.447 2.643 0 50 FFAA COc1cnc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)nc1 72431180 MAQWQJPFKFIFJV-UHFFFAOYSA-N 352.438 2.504 0 50 FFAA COc1cccc(C(=O)NCC(=O)Nc2ccccc2-c2ncc(C)[nH]2)c1 363717298 FIYPXZNMLMWDNX-UHFFFAOYSA-N 364.405 2.762 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)cc1F 72411566 UFHTWRRHBPWGSD-SFHVURJKSA-N 374.456 2.812 0 50 FFAA Cc1ccn2c(C3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)nnc2c1 364601968 DPKANYKFJFCDHG-INIZCTEOSA-N 355.486 2.618 0 50 FFAA CC(C)(CNC(=O)N1CC[C@@H](O)C(C)(C)C1)c1ccc2c(c1)OCCO2 331955383 ABAAEFQSTCWODZ-QGZVFWFLSA-N 362.470 2.538 0 50 FFAA CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1 72129251 HMLGDQACNPTMDB-MRXNPFEDSA-N 357.841 2.828 0 50 FFAA COc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)ncn1 72435186 SDMKQCSITIXYHT-OAQYLSRUSA-N 366.465 2.894 0 50 FFAA O=C(NC1CCC1)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1 72421629 DPTFHISKLZZVQN-UHFFFAOYSA-N 368.462 2.917 0 50 FFAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC[C@@H](Cn2ccnn2)C1 127549865 YBUQNIUNZGISRR-OCCSQVGLSA-N 359.396 2.821 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCCN(Cc2cccs2)CC1 77486105 AENHZIQWRMIXNR-UHFFFAOYSA-N 367.478 2.881 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 237639792 HRYVLPAAMKWHIB-KRWDZBQOSA-N 351.830 2.711 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCC[C@H](OCc2cccnc2)C1 223106060 MZEGSIZALROAQT-INIZCTEOSA-N 362.376 2.946 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)c2nc3ccccn3c2F)s1 19852887 RGISPADCDJYWTA-SNVBAGLBSA-N 358.398 2.611 0 50 FFAA Cc1ccc(OC[C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)cc1 82121373 STZLDPLMCAOGIV-SFHVURJKSA-N 354.450 2.864 0 50 FFAA CC(C)Cc1cn(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1 48315038 FWJVCEXITPGZIL-UHFFFAOYSA-N 364.453 2.897 0 50 FFAA CN1C(=O)[C@]2(CCCN(C(=O)c3onc4c3CCCC4)C2)c2ccccc21 426503512 WXRSXSOFQONJBT-NRFANRHFSA-N 365.433 2.704 0 50 FFAA CCc1nc(C2(NC(=O)Nc3cnn(CC(F)F)c3)CCCC2)no1 176572882 BVVQAKKENCIAMW-UHFFFAOYSA-N 354.361 2.685 0 50 FFAA CCOC(=O)N1CCC(N2CCO[C@H](Cc3cccc(OC)c3)C2)CC1 20168145 HQQDTKYJHHFFMS-LJQANCHMSA-N 362.470 2.559 0 50 FFAA O=C1NC2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C[C@H]1c1ccccc1 95378242 AHGMXGCTFMZNJL-INIZCTEOSA-N 364.449 2.566 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCCn2cc(Cl)cn2)c1 91830866 HQMIPGVIYDHTGB-UHFFFAOYSA-N 359.817 2.755 0 50 FFAA O=C(c1ccc(-n2cccn2)cc1)N1CCN(C2CCSCC2)CC1 96141564 QPJBMXBCFZRFRJ-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(c4nnc(C)o4)CC3)on2)c1 95352860 CTEHJPRATQBZRG-UHFFFAOYSA-N 370.409 2.616 0 50 FFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@H](C)N1CCCC1=O 97259208 YWTCAQUVHLKJRG-KRWDZBQOSA-N 351.450 2.930 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCCC[C@H]1CO 92078244 BWKOKOCSPCKUDK-KRWDZBQOSA-N 357.498 2.599 0 50 FFAA CN1CCc2n[nH]c(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)c2C1 97574991 MAFIDTKQZVEZQV-UHFFFAOYSA-N 362.836 2.995 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)C[C@@H]1CN(c2ccccc2)C(=O)O1 178884464 XAPFWEWDRMNAQG-CQSZACIVSA-N 368.359 2.896 0 50 FFAA CN(CC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)Cc1cccnc1 95384263 MIRQVKPBWNQYDN-LJQANCHMSA-N 367.449 2.618 0 50 FFAA CCN(C)C(=O)c1ccc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)nc1 91893686 DSZKMEFZTHBRSW-UHFFFAOYSA-N 370.497 2.545 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)Nc1c(C)nn(C(C)C)c1C 96180387 YFQVVQMXLPNYHP-UHFFFAOYSA-N 365.507 2.914 0 50 FFAA Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 292684879 KOAYMASUHVIZBJ-JTQLQIEISA-N 361.345 2.810 0 50 FFAA CCN(C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 91746653 FEBSLHDLVSJFHL-LJQANCHMSA-N 371.525 2.583 0 50 FFAA CC[C@@H](C(=O)NCc1ccc2nsnc2c1)N1Cc2ccccc2C1=O 97076707 ZRWMTDKLIGBXOI-KRWDZBQOSA-N 366.446 2.742 0 50 FFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCC2CC2)c1 95510522 QEPQTVHOSCSKRE-UHFFFAOYSA-N 372.465 2.615 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cnn(CC(C)C)c3)CC2)oc1C 180978306 GVOLOZZDFALPIQ-UHFFFAOYSA-N 373.501 2.786 0 50 FFAA Cc1n[nH]c(-c2ccsc2)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 253409691 MGEBJOWOQWWZFL-INIZCTEOSA-N 369.446 2.801 0 50 FFAA CNc1cc(-n2nc(C)cc2NC(=O)[C@H]2CCCC(F)(F)C2)ncn1 298781292 VXTNUAJNKGRXHT-NSHDSACASA-N 350.373 2.776 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@@H](Oc2cccc(F)c2)C1 183689751 UIRZFBGHAXAFLV-GOSISDBHSA-N 370.424 2.956 0 50 FFAA CSCC[C@H](NC(=O)N(C)Cc1nnc(C)o1)c1nc2ccccc2[nH]1 534642994 MTVFEHRLEYPDHS-AWEZNQCLSA-N 374.470 2.890 0 50 FFAA COc1ccccc1CN1CCN(C(=O)c2ccc(O)nc2C(C)C)CC1 1940197954 DKTJFKUYLPQTCX-UHFFFAOYSA-N 369.465 2.877 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c(C)s1 825312866 NLSQLYACQBUOGP-CYBMUJFWSA-N 368.480 2.541 0 50 FFAA O=C(O)[C@@]1(CC2CC2)CN(CCOc2ccc(Cl)cc2)CC[C@@H]1O 1529113447 ZJGBQXKGZVCMCD-WMZOPIPTSA-N 353.846 2.657 0 50 FFAA Cc1ccnc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)n1 278561173 BMXCFAWDHBGBRP-CQSZACIVSA-N 367.384 2.994 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCc2c(F)ccc(F)c2C1 170602329 GMBYCHCZWAKBAA-OAHLLOKOSA-N 352.381 2.859 0 50 FFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 170626366 LGEYFMBYOHCZJM-OLMNPRSZSA-N 362.445 2.985 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc4nc(C)c(C)nc4c3)CCN21 1615965208 MRNSNBRJFSAQBV-MSOLQXFVSA-N 368.481 2.572 0 50 FFAA CCOC(=O)COc1c(/C=C2/N=C(c3ccco3)OC2=O)cccc1OC 1120436 OAVLPJCIIJOBAW-JLHYYAGUSA-N 371.345 2.575 0 50 FFAA Cc1cccc2oc(CNc3ccc(C(=O)N4CCOCC4)cn3)nc12 1529196110 VASAVYPUVSQTMD-UHFFFAOYSA-N 352.394 2.616 0 50 FFAA O[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1Cc1cnccn1 1529133535 OECIFZLJMSYOTA-YLJYHZDGSA-N 353.466 2.833 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 1704341514 VOTLKVJYIRNULJ-PBHICJAKSA-N 370.371 2.717 0 50 FFAA Cc1nn[nH]c1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704339543 LMNMJMLIQRVCDV-OAQYLSRUSA-N 374.448 2.690 0 50 FFAA Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)N)C1 227187855 CZEXDJVAMKSLNB-NWDGAFQWSA-N 361.305 2.505 0 50 FFAA COc1cccc(CCc2ccccc2C(=O)N2CC[C@@H]3CNC[C@@H]32)c1 213023049 PTUXYMYAJXFFSA-NQIIRXRSSA-N 350.462 2.914 0 50 FFAA Cc1ncsc1CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 216541092 QDWLVRCVZWCVEU-CABCVRRESA-N 362.426 2.850 0 50 FFAA CSc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 11662725 UEGXTMAPBRLPQM-INIZCTEOSA-N 369.490 2.859 0 50 FFAA COc1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12138659 ADTCEOVIVQWFSD-UHFFFAOYSA-N 354.406 2.949 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)NCCc2cccnc2)no1 12194832 AOZSTTZYISAJLU-UHFFFAOYSA-N 361.405 2.749 0 50 FFAA CC(=O)NCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 12386534 UWINFEYXTZIRPI-FQEVSTJZSA-N 366.461 2.572 0 50 FFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1 14016600 RALFBJGVCGLADB-OAHLLOKOSA-N 352.500 2.689 0 50 FFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2CC(F)(F)F)cc1 14880092 KWGNQGXRMUHSGC-CQSZACIVSA-N 358.360 2.506 0 50 FFAA CC[C@@H](C)c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@H]2CCOC2)C3)no1 19221491 LTGFIEWYZYFSPH-OCCSQVGLSA-N 370.453 2.875 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 218812245 DXZBGUSRRXQVTK-IEZWGBDMSA-N 351.450 2.552 0 50 FFAA C1CCC(CN2CC[C@@]3(C2)Cn2c(nnc2C2CCOCC2)CO3)CC1 1857689387 ONFWDIKHZFWPHC-HXUWFJFHSA-N 360.502 2.727 0 50 FFAA CC(C)CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccccc3)[C@H]3CC[C@]2(C1)O3 1857732833 JGRATEPVDKMJPB-JZJXAQOMSA-N 370.493 2.859 0 50 FFAA O=C(Cc1ccc(F)cc1)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857733822 AKSQGKHSNMGLNX-GPQLQYNLSA-N 372.484 2.906 0 50 FFAA O=C(Nc1cnsn1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 328595118 LHBCYLFJFJZUPG-NSHDSACASA-N 371.249 3.088 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2ncccc2O)cc1 247916671 WJCYMXQJHLGPEW-SJORKVTESA-N 367.449 2.532 0 50 FFAA Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)c1 162027637 QPTAKWHOKORLEL-HXUWFJFHSA-N 364.493 2.703 0 50 FFAA CC1(C)C[C@H](NC(=O)c2cccc(-n3cncn3)n2)c2cc(F)ccc2O1 855021417 RZSNIRCDDNJIJI-HNNXBMFYSA-N 367.384 2.834 0 50 FFAA C[C@H]1c2ccccc2N(C(=O)COC(=O)c2nc[nH]c3nccc2-3)[C@@H]1C 1875294302 DBEFZHQBEYXBBF-VXGBXAGGSA-N 350.378 2.605 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccc(OC)c(Cl)c2)CC1 1875365821 IOKOHWJZTNJDKG-UHFFFAOYSA-N 350.846 2.732 0 50 FFAA CO[C@@H]1C[C@@H](C(=O)O)CN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320036 DAPZPPFKXUNYSW-VXGBXAGGSA-N 372.343 2.540 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)CCc2cc(F)ccc2F)C1 888078883 GFUSYDSROJZNBJ-NXHRZFHOSA-N 352.425 2.655 0 50 FFAA CC(C)n1c2ccccc2c2nnc(SCC(=O)N3CCOCC3)nc21 718376 CCDBWJCPLRANDH-UHFFFAOYSA-N 371.466 2.511 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 706376 MZQGFRTZYQDOMS-UKRRQHHQSA-N 350.802 2.690 0 50 FFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 332082701 OICKJWWLYBLZRA-SECBINFHSA-N 362.238 2.863 0 50 FFAA Cc1ccc(CN2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1 5016046 AQGNNQZNPLCEQN-CQSZACIVSA-N 356.403 2.508 0 50 FFAA COc1ccc(-c2nc(=N[C@@H]3CCN(CC4CCCC4)C3)o[nH]2)cc1OC 2325737357 NAHGVUMNYZGCQS-MRXNPFEDSA-N 372.469 2.852 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCc4nnn(C)c43)cc2)c1C 2325773505 KFZOEQFAGSESPF-MRXNPFEDSA-N 350.426 2.676 0 50 FFAA Cc1nc([C@@H](NC(=O)[C@H]2C[C@H](N(C)C)C2)c2ccc(Cl)c(F)c2)no1 2325784772 INRQBGAJWBDSGE-HUBLWGQQSA-N 366.824 2.716 0 50 FFAA COc1ccc(C[C@](C)(CO)NCc2cn3c(n2)CCCCC3)cc1OC 2325788374 BKLGBPJVPGGVBU-OAQYLSRUSA-N 373.497 2.710 0 50 FFAA Cc1nc2c(C)cc(C(=O)Nc3ccc(OC4CCNCC4)cc3)cn2n1 2325792198 KSNSCIBJPGKHOI-UHFFFAOYSA-N 365.437 2.729 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCSC[C@H]2c2cccs2)C1 2325888652 NNLIRQBWJAPHPX-KBPBESRZSA-N 350.509 2.789 0 50 FFAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccco2)CCCN1 2356162928 UJCQUCMQDLKFRM-SFHVURJKSA-N 369.465 2.743 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 2939797 AXINTJCSUMNFQA-UHFFFAOYSA-N 362.451 2.550 0 50 FFAA O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 7069579 SODWYBFGKCRJFO-CYBMUJFWSA-N 350.465 2.788 0 50 FFAA CN(C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 225643851 CFHBARLGKIVODM-INIZCTEOSA-N 374.391 2.697 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CCO 104391421 FWEDTDVEGFWGHN-HXUWFJFHSA-N 374.504 2.926 0 50 FFAA CCC(CC)n1c(=O)n(Cc2nnc(C3CC3)o2)c2cc(C(=O)O)cnc21 55225079 FQKGZUSHQHPWNE-UHFFFAOYSA-N 371.397 2.566 0 50 FFAA CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2 100636520 WJJPBZZNOSQQEI-MRXNPFEDSA-N 367.434 2.706 0 50 FFAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 65501350 SGUNSKMFHHZTSI-SMDDNHRTSA-N 363.797 2.739 0 50 FFAA Nc1ccnc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)c1 67935072 NDECUORTXFYFJY-UHFFFAOYSA-N 361.449 2.998 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(N2CCCC2)n1 67614121 QWEAAUAQSTWMJI-UHFFFAOYSA-N 361.396 2.505 0 50 FFAA Cc1cc(C)n2ncc(CN3CCc4[nH]cnc4[C@H]3c3cccc(O)c3)c2n1 67447020 XYPLMLMVIHPQKI-HXUWFJFHSA-N 374.448 2.923 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@@H](OCc2ccccn2)C1 67934987 CCIGCEBDEGZVFN-QGZVFWFLSA-N 368.481 2.824 0 50 FFAA O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2F)CC1 12192748 GWSQRMBVDPYOPK-CQSZACIVSA-N 360.429 2.597 0 50 FFAA COc1cccc(Cl)c1CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C 252482096 CXWSGABFPFBBRK-AWEZNQCLSA-N 353.850 2.547 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)[nH]n1 11664607 SJUCRYVWUHUYIU-IBGZPJMESA-N 369.513 2.782 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 2804928 OJAQDIAUZLTKRG-UHFFFAOYSA-N 365.846 2.726 0 50 FFAA CCCc1nc(C)c(CNC(=O)c2cnc3c(c2)nc(N)n3CC)s1 77422079 QEADMXAAUMJVNL-UHFFFAOYSA-N 358.471 2.681 0 50 FFAA CCOC(=O)[C@H](CSCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 4014043 VMEQROYLWJLJHQ-NSHDSACASA-N 363.476 2.518 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)N3CCO[C@H](C)C3)cc2F)C[C@H](C)O1 229762735 VZDCEINOSZUHQJ-RDBSUJKOSA-N 351.422 2.692 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)c3ncoc3C3CC3)CC2=O)c1 77440351 QAUMABIQCBGZNI-UHFFFAOYSA-N 353.422 2.653 0 50 FFAA O=C(CCCn1cncn1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 214985719 YVWFIMLGCYADGS-UHFFFAOYSA-N 370.844 2.687 0 50 FFAA Cc1c(Cl)c(C(=O)N2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)nn1C 72429622 JXNRNFAJPQNFCO-CYBMUJFWSA-N 361.829 2.785 0 50 FFAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)CCN2CCCC2=O)c1C 12589477 CLAUUYLYZQCLEP-OAHLLOKOSA-N 354.454 2.679 0 50 FFAA Cc1c([C@H]2[C@H](CNCc3cccn3CCC(C)C)CC(=O)N2C)cnn1C 328633922 SWFMNAUENQQXGM-LAUBAEHRSA-N 371.529 2.885 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCN[C@H](c3cccc(F)c3)C1)CO2 328658978 RYQXXYOMGREHHK-APWZRJJASA-N 370.424 2.559 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CN(C)Cc3ccccn3)CC2)c1 77488594 SHQILVABEGNPAR-UHFFFAOYSA-N 353.466 2.892 0 50 FFAA O=C(NC[C@@H](O)c1cc2ccccc2s1)N[C@@H]1CCc2[nH]ncc2C1 154477376 HNIZNZOKHSURLD-UKRRQHHQSA-N 356.451 2.515 0 50 FFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1CCN(c2cnccn2)CC1 154898102 PDWLWJWZYJJGPA-AWEZNQCLSA-N 370.501 2.830 0 50 FFAA Cn1cc(SCC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)c2ccccc21 72129187 BOFKVESAGIJOHG-IBGZPJMESA-N 373.478 2.762 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N[C@@H]3CC(=O)N(C4CCCCCC4)C3)c2c1 72152202 VVHLFHRZWZETPV-CQSZACIVSA-N 354.454 2.925 0 50 FFAA CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCCCN3)cc2)cc1 155252096 CDLYYGQFYOCVBR-GOSISDBHSA-N 374.462 2.963 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1 366381750 QTWPUQFQSOSBOA-VRCPBSEVSA-N 370.493 2.855 0 50 FFAA CN(C)C1(CNc2nc(C3CCCC3)nc3c2cnn3C)CCOCC1 72473228 FAPWPERVLGHOJK-UHFFFAOYSA-N 358.490 2.544 0 50 FFAA CCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)C1 71765446 WSMZVPUWOPSRTI-INIZCTEOSA-N 353.470 2.580 0 50 FFAA COc1cc(F)c(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)cc1OC 368826416 QYYZZFBYNSVMRO-CYBMUJFWSA-N 358.413 2.881 0 50 FFAA O=C(c1c(Cl)nc2ccccn12)N1CC[C@H](c2nc(C3CC3)no2)C1 375577702 LBMMXJRZFSHVJT-NSHDSACASA-N 357.801 2.878 0 50 FFAA CC[C@@H](C(=O)N1CCN(c2nc3ccccc3s2)CC1)n1cccn1 72407084 SGHZBABSKWGQEF-HNNXBMFYSA-N 355.467 2.793 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)cc1 72170084 VHDSBSHFQLACGB-UHFFFAOYSA-N 358.405 2.691 0 50 FFAA Cn1c([C@@H]2CCCN2S(=O)(=O)N2CCCCCC2)nc2ccccc21 77320704 RGMZMCUITZEYTI-KRWDZBQOSA-N 362.499 2.831 0 50 FFAA C[C@H](C1CCN(C(=O)c2cc3ccccc3cn2)CC1)N1CCOCC1 72407944 DJCZTSLKSWJYQL-MRXNPFEDSA-N 353.466 2.808 0 50 FFAA OC[C@H]1CCCCN1CCNc1cc(-c2ccc(F)cc2)nc2ccnn12 72479542 FEUFLOFLACUMOO-QGZVFWFLSA-N 369.444 2.794 0 50 FFAA CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCOC2(CCOCC2)C1 333042593 AJTDVBQLIVXGQN-UHFFFAOYSA-N 369.849 2.936 0 50 FFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1 238105517 NLTLXSJUBAHEJA-GOSISDBHSA-N 371.408 2.894 0 50 FFAA CCn1ncc2c(C(=O)N(C)C3CCNCC3)cc(-c3ccccc3)nc21 237038221 GGLNLXGRVYGZAN-UHFFFAOYSA-N 363.465 2.942 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC1CCN(Cc2ccccn2)CC1 222667985 JGIMFTOXAGTLNO-NHCUHLMSSA-N 359.514 2.776 0 50 FFAA COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1O 220275955 SHYNCYHSXFWWRP-ZOJXTTQQSA-N 369.417 2.578 0 50 FFAA Cc1cc(C(=O)NCc2nnnn2-c2ccccc2)c2ccc(F)cc2n1 82127082 QSFQZLAOJSUXAM-UHFFFAOYSA-N 362.368 2.588 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@]12CCOc1ccccc12 263361375 UJSQAFBNLUMUSP-SPEDKVCISA-N 363.413 2.765 0 50 FFAA CCCc1ccc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)cc1 426477489 BBEZHEHRQGPZLZ-WOJBJXKFSA-N 371.481 2.609 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@H](c3ccc(F)cc3)N(C)C)CC2=O)cc1 82137004 MKKBOUGRUYQENU-FQEVSTJZSA-N 369.440 2.612 0 50 FFAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(c2ccncc2)CC1 222356627 AELRCHMPVXCTHB-CQSZACIVSA-N 354.406 2.984 0 50 FFAA CCCNC(=O)c1ccc(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc1 289170057 VAKFXWBAEXQRSS-OAQYLSRUSA-N 371.456 2.792 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)N1CCN(C2CCCCC2)CC1 426498797 YMIRIRHJYWCWGL-UHFFFAOYSA-N 363.477 2.644 0 50 FFAA O=C(Cn1cccnc1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91871651 GRLWZJLPBLBXRV-UHFFFAOYSA-N 373.456 2.852 0 50 FFAA CC(C)n1cc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)nn1 290335258 KPTMKIFCXCVSSW-OAHLLOKOSA-N 367.375 2.551 0 50 FFAA Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239038914 FDKJSJGIAQCACZ-BUJXUYPKSA-N 365.429 2.652 0 50 FFAA Cn1nccc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91997372 LZIDHIKCXYEEEK-FQEVSTJZSA-N 355.438 2.563 0 50 FFAA Cn1c(=O)c(C(=O)NCCCSc2ccccc2)nc2ccccc21 97480260 OIICETYFVWEGBI-UHFFFAOYSA-N 353.447 2.846 0 50 FFAA Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 96130330 BSTHZHRNSUGUHW-KKSFZXQISA-N 356.466 2.705 0 50 FFAA O=C(CCc1cccnc1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91933529 ALLBCEJFTQDGMJ-VQTJNVASSA-N 350.466 2.532 0 50 FFAA O=C(c1cc(C2CC2)no1)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91655987 YHTCMFANLAOSJL-HXUWFJFHSA-N 357.454 2.949 0 50 FFAA Cc1c[nH]c(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c(C)c1=O 91793819 XCPSJBPKHDHFLI-RBUKOAKNSA-N 365.477 2.615 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cccc(N4CCOC4=O)c3)C2)n1 96138989 KAXIUFYPEXMVJK-KRWDZBQOSA-N 369.425 2.935 0 50 FFAA CN(C)C(=O)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)nc1 97346746 JZXHRNVZRQYCGF-UHFFFAOYSA-N 361.467 2.527 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 91664715 RQCGXJLULRPNQA-HXUWFJFHSA-N 371.437 2.810 0 50 FFAA CCNc1ncc(C(=O)N(Cc2ccc(OC)cc2)C[C@@H]2CCCO2)cn1 91770175 GVVRYRFEEJHMLI-SFHVURJKSA-N 370.453 2.738 0 50 FFAA Cc1cc(C)n([C@H]2CCN(CCN3CCN(Cc4ccccc4)CC3)C2)n1 244828584 TYVIYZJNUBKAKU-QFIPXVFZSA-N 367.541 2.565 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 252522844 BHGBKMZEILRZTI-CDXJDZJCSA-N 364.449 2.909 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccsc1 298178239 XWJYYDQPULAGSC-GFCCVEGCSA-N 355.437 2.559 0 50 FFAA C[C@@]12C(=O)O[C@]34CCC[C@@H]3[C@@H]3[C@@H]([C@@H]14)[C@@H]1[C@@H]2[C@@H]2CCC[C@]24OC(=O)[C@]3(C)[C@@H]14 253596011 MAQOZODVFUNEDC-AHHJPUEPSA-N 354.446 2.942 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](CCN)C2)cc1Cl 440803656 VARNNIJXRTYQGP-JTQLQIEISA-N 367.298 2.752 0 50 FFAA COc1ccc(CN(C)C(=O)NCc2nc(C3CC3)no2)c2cccnc12 534640091 OWDXVXCLMAQESP-UHFFFAOYSA-N 367.409 2.845 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc(N3CCN(C)CC3)nc1)CO2 184922475 PQPCIZDJAZXQFG-SFHVURJKSA-N 366.465 2.565 0 50 FFAA Cn1cccc1-c1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)[nH]n1 67641804 VWRKOEUQJIRRHF-MRXNPFEDSA-N 365.437 2.632 0 50 FFAA CC(C)C[C@@H]1CN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC[C@]1(C)O 1073277639 HGQGEQUDKABGEU-XCLFUZPHSA-N 360.429 2.926 0 50 FFAA Cc1cc(C)c2c(CC(=O)NCC3CCS(=O)(=O)CC3)coc2c1C 299769934 KJAPBMKRZVVSIV-UHFFFAOYSA-N 363.479 2.842 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)Nc1cc(F)cc(C(F)(F)F)c1 299782958 WGGLBAIGCYEEMX-AWEZNQCLSA-N 363.355 2.813 0 50 FFAA c1cnc2ccc(CN3CCn4nc(CNc5cnccn5)cc4C3)cc2c1 299795460 LSICVYKJPQYRRA-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA O=C(NCCCN1CCCc2ccccc21)Nc1cccn2cnnc12 299797058 QVVPLJHNRISFQX-UHFFFAOYSA-N 350.426 2.694 0 50 FFAA CN(C)C1(CNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)CCOCC1 299788697 WUXUXPOLYQVUQU-KRWDZBQOSA-N 355.482 2.815 0 50 FFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NC1CCN(Cc2cccs2)CC1 827811613 QYBRAZBCQHLUAE-SFHVURJKSA-N 369.490 2.704 0 50 FFAA CC(C)Cc1cc(CNC(=O)CCCn2cnc3ccccc3c2=O)on1 821483325 FLNJLCIEKIMNJX-UHFFFAOYSA-N 368.437 2.680 0 50 FFAA COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@]21c1ccc(Cl)cc1 824121207 GKDAJZXSLMHDJA-ZRGWGRIASA-N 355.777 2.570 0 50 FFAA COc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1nc(C)cs1 824742886 OQQJYROKWZURJV-UHFFFAOYSA-N 365.436 2.594 0 50 FFAA NC(=O)[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc(Cl)cc1 1348614351 OVKYLBDJFLRVCU-INIZCTEOSA-N 372.787 2.621 0 50 FFAA O=C(O)c1cnc(-c2cccc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2)c(Cl)c1 1565512071 NCVVHMVEFLBQSF-CJNGLKHVSA-N 371.824 2.534 0 50 FFAA CC(C)Cn1cncc1CN1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565526066 JCKMHVCXZJVIQV-PXNSSMCTSA-N 355.438 2.602 0 50 FFAA CN1CC[C@H](NC(=O)NCC2(O)CCCCC2)[C@H](Cc2ccccc2)C1 1565513598 BTZOHPLQWOQMBY-MOPGFXCFSA-N 359.514 2.544 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CCc2ccccn2)C1 190537891 MBSPROIOTOAFOG-MRXNPFEDSA-N 358.511 2.760 0 50 FFAA CN(C(=O)c1ccnc2ccncc12)[C@H]1CCN(Cc2ccccc2)C1=O 191828648 WGGFSSQXVYCEDH-IBGZPJMESA-N 360.417 2.503 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(Cc3nccn3-c3ccc(OC)cc3)CCN21 1616071683 YUZVZOZKDJTJSG-MOPGFXCFSA-N 370.497 2.566 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)s1 1529166969 GETJNLFWKVFZHY-CRAIPNDOSA-N 367.474 2.984 0 50 FFAA O=C(c1cc[nH]c1)N1CCCN(C(=O)c2csc3c2CCCC3)CC1 1772702133 BRCYVIFMZJKOCW-UHFFFAOYSA-N 357.479 2.943 0 50 FFAA O=C(CCCn1cncn1)N1CCO[C@@H](Cc2cccc3ccccc23)C1 11816102 RUDNLFXVASZWOS-IBGZPJMESA-N 364.449 2.682 0 50 FFAA Cc1ccn(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)n1 11842355 ZHRQLKFEYSNWBC-UHFFFAOYSA-N 354.498 2.605 0 50 FFAA O=C(Cc1ccccn1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12318165 VZSWMIGSRFWLPW-IBGZPJMESA-N 359.429 2.695 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@H]1CCCN(Cc2ccccc2F)C1 12448127 UZWDFSFXAWVMOG-KRWDZBQOSA-N 366.440 2.956 0 50 FFAA FC(F)(F)c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1 14169283 HHKLWZUTPWSTDW-UHFFFAOYSA-N 360.343 2.765 0 50 FFAA CSCCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 15069477 PUVBSBLTFKJBQZ-ZDUSSCGKSA-N 370.902 2.902 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(OC4CCC4)ccn3)n[nH]c21 1857527441 KDXMDTJMLCVSQR-NEPJUHHUSA-N 356.426 2.688 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 1857669624 WFTXIRJZTRURCG-LAUBAEHRSA-N 368.433 2.584 0 50 FFAA CCCN1CCC[C@H](n2ccnc2-c2cnc(N3CCOCC3)s2)C1 1857677930 FRYHWZFHRLBOES-HNNXBMFYSA-N 361.515 2.890 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCc3ccccc3Cl)C[C@]23CC[C@H]1O3 1857710899 WKLFJDQQIAYQHV-IXIUHKBRSA-N 362.901 2.840 0 50 FFAA CCCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(c3nccs3)C2)s1 1857731616 MGQUFMZFTSHQDO-NSHDSACASA-N 364.496 2.530 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCN(c2ncc(Cl)cc2F)CC1 301546313 PBUKTDROFMVQTD-UHFFFAOYSA-N 369.849 2.526 0 50 FFAA O=c1c2ccncc2ncn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 126522296 SZDFIFPOIDGKQL-UHFFFAOYSA-N 373.203 2.727 0 50 FFAA Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)n1C 132268756 JQBNESMSPFPOBK-HNNXBMFYSA-N 365.355 2.666 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(O)c1)C2 251993233 JRMGAFVGDLYEPF-SJORKVTESA-N 355.438 2.620 0 50 FFAA CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 378114586 IYFFKMQQDOWJSQ-LJQANCHMSA-N 373.541 2.957 0 50 FFAA COc1ccc2c(C)cc(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)nc2c1 1704313236 HHRKPASTBCADPQ-TZIWHRDSSA-N 355.482 2.835 0 50 FFAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cccc3[nH]ccc23)C1 818186732 BXHAACOIAJOPST-HXUWFJFHSA-N 352.438 2.998 0 50 FFAA CN(C(=O)c1cnc(Cl)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1857778342 AMBJKQJMGNDWNG-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA Cc1nc(N[C@H](CO)c2cccc(C(F)(F)F)c2)c2cnn(C)c2n1 865993038 RCEFWKCMYBQEFI-CYBMUJFWSA-N 351.332 2.836 0 50 FFAA Cc1nn(C)c(N)c1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C 952845221 LJVILTKRYRLDHS-KRWDZBQOSA-N 369.513 2.514 0 50 FFAA CCN(Cc1ccccc1C)C(=O)c1nc(C)c(C)c(N2CC[C@@H](N)C2)n1 1875401591 LXKDXPIOEKLWCU-GOSISDBHSA-N 367.497 2.602 0 50 FFAA COC(=O)[C@@H](NC(=O)CSc1nc2cc(C)ccc2[nH]1)c1ccccc1 4625372 WTGUDLFOUCWQOX-KRWDZBQOSA-N 369.446 2.994 0 50 FFAA NC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc(Cl)cc1 2325737890 LVOCNLQYEOGYKD-CYBMUJFWSA-N 364.854 2.821 0 50 FFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(CC2CCOCC2)s1 2325781368 KIBKTKAVFCXAGD-AWEZNQCLSA-N 360.483 2.904 0 50 FFAA CC1(C)C[C@H]1[C@@H](NC(=O)c1ccnc(N2CCC(N)CC2)c1)C(F)(F)F 2325786391 HXMJSRSKNFWOKE-DZGCQCFKSA-N 370.419 2.716 0 50 FFAA Fc1ccccc1-c1cc(CNc2nccc(N3CCCNCC3)n2)no1 2325798166 RRWFEQURAKCOQG-UHFFFAOYSA-N 368.416 2.683 0 50 FFAA NCCC[C@@H](N=c1[nH]ccn2ncc(Br)c12)c1ccccc1 2325800040 JIBUCOYTZYRQTR-CQSZACIVSA-N 360.259 2.806 0 50 FFAA Fc1ccccc1-n1ncc2c(N[C@@H]3CCNCCC3(F)F)ncnc21 2325800069 MGXYAVNCIGPKOL-CQSZACIVSA-N 362.359 2.754 0 50 FFAA CC[C@H](C)CC(=O)N1C[C@H](CN=c2nc(O)c3ccccc3[nH]2)C[C@@H]1C 2325866893 DDECCIDFWCCQRM-KKUMJFAQSA-N 356.470 2.842 0 50 FFAA C[C@@H](CCNC(=O)Cc1ccc2cccnc2c1)NC(=O)CC1CCC1 2325868042 NAIGJAWIHIHRKE-HNNXBMFYSA-N 353.466 2.979 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@H]1C(C)C 922396629 YRQOIIADEOXTAD-ZHHKINOHSA-N 357.542 2.920 0 50 FFAA O=C1C[C@H](NC2CCN(Cc3ccco3)CC2)CN1CCc1ccccc1 20453978 XIZLNXCQKOQOPF-FQEVSTJZSA-N 367.493 2.677 0 50 FFAA CCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N 947075 XFODVILVTNWAPX-UHFFFAOYSA-N 359.377 2.694 0 50 FFAA CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1 1146166 VBPBEVVGSMDBER-UHFFFAOYSA-N 366.874 2.569 0 50 FFAA Cc1nc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)nc(C)c1C 2356157002 ZWBSXAHGUAFDNR-UHFFFAOYSA-N 360.483 2.667 0 50 FFAA Cc1nc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)nn1C(C)C 2356166916 OWFONQURVAGFOK-UHFFFAOYSA-N 350.806 2.773 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1 2356167960 KEHURLKFEWOFFT-GOSISDBHSA-N 350.484 2.549 0 50 FFAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cnn(C)c3C)nc21 20614336 NPVBGZLLHBXDBD-UHFFFAOYSA-N 363.368 2.949 0 50 FFAA CSc1nsc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 4502723 IFXWHMNHQQIJIZ-UHFFFAOYSA-N 354.482 2.949 0 50 FFAA CCCCn1nc(C)cc1NC(=O)Cn1cc(-c2ccc(C)nn2)cn1 23582187 FAQRNNZHDSBDSB-UHFFFAOYSA-N 353.430 2.592 0 50 FFAA CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CC1=O 9426662 SLJGWBVCXYVWOA-HNNXBMFYSA-N 366.421 2.529 0 50 FFAA CCC(=O)N1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 55095251 DAMBCISQIUCVND-SFHVURJKSA-N 358.482 2.843 0 50 FFAA CCOc1ccccc1CN1CCN(c2nc(C)cnc2C)C[C@H]1CCO 106968732 TXFHJWZUAWWPMR-LJQANCHMSA-N 370.497 2.565 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(c3ccnc(N)n3)CC2)c1 67563001 VCMDFAAVOIWBPW-UHFFFAOYSA-N 350.426 2.842 0 50 FFAA COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ccc1OCC(N)=O 248328546 BSRHFISPRJLZEB-OEYIWLLWSA-N 361.438 2.787 0 50 FFAA CN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](c2ccccc2)C1 248754690 ISXMMOQTTRQRPH-ZIBCJSCZSA-N 355.526 2.918 0 50 FFAA CC(=O)N(C[C@@H]1CCCN1C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 252482954 DRBMWJGUDAXDQG-RXVVDRJESA-N 369.509 2.624 0 50 FFAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]2CCCC[C@H]21 229951521 JDNCLQQIUNHONM-GOEBONIOSA-N 366.483 2.997 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cnn3ccccc23)n1C 328649813 VDKGDPVMPTZKBC-SFHVURJKSA-N 351.454 2.760 0 50 FFAA COc1ccc(CNC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1 72133002 YTJLXILJHJWHCA-QGZVFWFLSA-N 359.470 2.772 0 50 FFAA COc1ccccc1CCNc1nccc(-c2cc(C(=O)O)ccn2)n1 72440527 WPIWQHUXLWIWPH-UHFFFAOYSA-N 350.378 2.900 0 50 FFAA O=C(c1ccsc1)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72479564 LDZZOFCKGHHXQP-UHFFFAOYSA-N 355.419 2.814 0 50 FFAA C[C@H]1CCCN(C(=O)C2CCN(c3ncnc4c3ncn4C3CC3)CC2)C1 330282750 VPWWZKNCDHFZPE-AWEZNQCLSA-N 368.485 2.636 0 50 FFAA Cc1nc(CO[C@@H]2CCN(Cc3cc(-c4cnn(C)c4C)no3)C2)cs1 367304197 ASBOQRVLFHSYBJ-OAHLLOKOSA-N 373.482 2.940 0 50 FFAA COC(=O)c1ccccc1CC[S@](=O)Cc1c(C)cc(C)nc1OC 488861584 DRQYVHXNMBCYAC-VWLOTQADSA-N 361.463 2.985 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 237982170 FZGRPNQENUMDAS-JKSUJKDBSA-N 358.438 2.824 0 50 FFAA CC1CCN(C(=O)CN(Cc2ccsc2)[C@H]2CC23CCNCC3)CC1 261732011 LXUPJKMWKHNKOW-SFHVURJKSA-N 361.555 2.951 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)sc2C1 331746681 DAONYQJTKKGCEU-RKDXNWHRSA-N 361.389 2.617 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)Cc2noc3ccccc23)C1 157010872 OCROYZUDBKQNEW-AWEZNQCLSA-N 351.406 2.774 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CC[C@H](Cc2ccc(F)cc2)C1 332801808 WMFLIMIYXZNFNS-POAQFYNOSA-N 362.445 2.738 0 50 FFAA Cc1cc(NC(=O)CN2CCCN(c3ccccc3Cl)CC2)n(C)n1 289393079 RDTVMYDXFITQCE-UHFFFAOYSA-N 361.877 2.533 0 50 FFAA COc1cccc(C2(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)CC2)c1 284316852 VLODVJRLKSPFPN-QGZVFWFLSA-N 371.458 2.762 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccsc2)C1 240626720 HIXJSPPTDYRCFQ-HOCLYGCPSA-N 350.484 2.687 0 50 FFAA Cn1c(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)nc2cc(F)ccc21 174596619 MBNGVQSDNHEIEQ-LBPRGKRZSA-N 360.433 2.936 0 50 FFAA CCCOC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCCC2 17075720 JKHSIZHIURGRGL-UHFFFAOYSA-N 369.439 2.624 0 50 FFAA CCc1ccc([C@H](C)NC(=O)N2CCC(c3nnc(CO)n3C)CC2)cc1 426477983 JCNUJYFVGFDNDF-AWEZNQCLSA-N 371.485 2.520 0 50 FFAA Cc1cc(C)c2c(C(=O)NCc3nc(-c4cnccn4)n[nH]3)cc(C)nc2c1 426537835 ZEWCVSSLWCEFPG-UHFFFAOYSA-N 373.420 2.665 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3ncc(F)c(NC)n3)c2)C1 426381416 IANHIDFDJAWRAK-INIZCTEOSA-N 372.444 3.356 0 50 FFAA Cc1nc(NCc2cc3ccc(F)cc3nc2O)cc([C@H]2CCOC2)n1 426535896 OSWGEUQOGXCZPB-ZDUSSCGKSA-N 354.385 3.294 0 50 FFAA CC(C)(O)c1cn(C2CCN(Cc3ccc(O)cc3Cl)CC2)nn1 20535770 AYSIZEGAHCIAMF-UHFFFAOYSA-N 350.850 2.702 0 50 FFAA Cc1ncsc1CCN(C)C(=O)NCCc1nc(C)c2c(n1)CCCC2 426493221 PSHXQXPTAMJNIV-UHFFFAOYSA-N 373.526 2.855 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(c2nccc(-c3c(C)nn(C)c3C)n2)C1 20782084 PHGNRIWXUZOGPO-INIZCTEOSA-N 370.501 2.579 0 50 FFAA CCCc1cnc(C)nc1N1CCC(N[C@H](C)Cc2cnccn2)CC1 95498484 YFTHJCYTVWKGOY-OAHLLOKOSA-N 354.502 2.717 0 50 FFAA CC(=O)NCCCC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91494080 RFAYMTYQRDNMTF-NSHDSACASA-N 364.396 2.552 0 50 FFAA CN(CC(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1 91746636 HVGDXWXCILJOKH-JOCHJYFZSA-N 369.509 2.764 0 50 FFAA Cn1cccc1C(=O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1 91656274 NFEIVCNBRCITFQ-UHFFFAOYSA-N 354.454 2.611 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(C(=O)CCc1cccs1)CC2 95501643 HEAWJXNSBRDUBS-UHFFFAOYSA-N 358.511 2.800 0 50 FFAA Cc1nc(C)c(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)s1 91737520 UIDLCUALDWMPEN-LSDHHAIUSA-N 362.426 2.768 0 50 FFAA O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1CCCc1ccccc1 91998034 UGCVXSUDSRSMNT-UHFFFAOYSA-N 352.482 2.857 0 50 FFAA Cc1nn(CC(=O)NCc2csc3c2CCCC3)c(=O)c2ccccc12 91935031 GJRQKJVPHJMQLZ-UHFFFAOYSA-N 367.474 2.962 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C(=O)O 91768978 MPEXXEZNPUDLDK-JKSUJKDBSA-N 367.405 2.979 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(c1nc(CO)cs1)CC2 91255172 GHCCDWAOKKDMOO-UHFFFAOYSA-N 361.515 2.512 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91526516 NMMIQHHWDLGJGM-QGZVFWFLSA-N 363.469 2.851 0 50 FFAA Cc1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)cc1Cl 244691858 JKFUPTCWRIZNSH-JOCQHMNTSA-N 360.845 2.743 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1F 242774553 DTWUDKMVYVNXFD-RYUDHWBXSA-N 360.316 2.907 0 50 FFAA CN(CCN1CCCCC1=O)Cc1ccc2c3c(cccc13)C(=O)OC2 244828551 TYGAKRJUVZMSGW-UHFFFAOYSA-N 352.434 2.955 0 50 FFAA CCCCc1ccc(NC(=O)CCN2CCc3[nH]nc(C(=O)O)c3C2)cc1 252479760 BMMARSRURUUUQJ-UHFFFAOYSA-N 370.453 2.837 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 299382512 WVOJKUUBBCVWLX-STQMWFEESA-N 361.316 2.786 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cn2cccn2)cc1 299743549 LGLFETURCKJNKR-KSZLIROESA-N 353.422 2.789 0 50 FFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CC(=O)O)C2CCOCC2)c1 299752684 VATKGQRQTIBATM-GFCCVEGCSA-N 355.818 2.508 0 50 FFAA COCCN1C[C@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1=O 252482039 CXBFZYNBWFDSLN-HNNXBMFYSA-N 370.424 2.717 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1 534656599 PLLVEQIWZZGBBZ-KRWDZBQOSA-N 374.448 2.995 0 50 FFAA Cc1cc2occ(CC(=O)N3CCOC[C@@H](CN(C)C)C3)c2cc1Cl 299761535 UYBBQTMKHRMJHV-AWEZNQCLSA-N 364.873 2.974 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(Cc2nnc(C)[nH]2)cc1 299783710 XRZKLAJGDUBQNS-GFCCVEGCSA-N 368.445 2.588 0 50 FFAA O=C(CCCC(=O)c1ccccc1)NC[C@@H]1CC(=O)N(C2CCCC2)C1 299762247 NBWZCNSQMHATMJ-INIZCTEOSA-N 356.466 2.947 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)[C@H]1CCCN(c2ccccn2)C1 827736458 ROKUSNAMOOJHCS-ZDUSSCGKSA-N 369.450 2.726 0 50 FFAA c1ccc(-n2ccnc2)c(CNCc2cnc(NC[C@@H]3CCCO3)nc2)c1 952960453 YPUGULYKLPVFGP-SFHVURJKSA-N 364.453 2.543 0 50 FFAA CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)s1 952962149 BUYFLVTUMASSPL-ZDUSSCGKSA-N 370.540 2.722 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)c1 1565516352 SLSIQIBNAKXQTQ-SFTDATJTSA-N 369.461 2.691 0 50 FFAA CCN(C(=O)c1cccc(-c2cc(NC)nc(N)n2)c1)[C@H]1CCCC[C@@H]1O 1565529205 QMYIMMQOBNHUJA-IRXDYDNUSA-N 369.469 2.533 0 50 FFAA CCN(CC)C(=O)CCCC(=O)NCc1noc(-c2cccc(F)c2)n1 170599170 MNKKDOTXHYIMIO-UHFFFAOYSA-N 362.405 2.531 0 50 FFAA Cc1ccc(-c2noc([C@H](C)N3CCN(c4cccnn4)CC3)n2)cc1F 170649528 YZSDYMGTFUUQGB-AWEZNQCLSA-N 368.416 2.857 0 50 FFAA C[C@@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)CC[C@H]1c1ccccc1 741808380 RZZYBGRMACHNSF-YLJYHZDGSA-N 372.509 2.914 0 50 FFAA CSCCN1CCC(NC(=O)CC(=O)Nc2cccc(C)c2C)CC1 1506405321 ZGHCBRJBHYOSAA-UHFFFAOYSA-N 363.527 2.576 0 50 FFAA CCOc1ccccc1C(=O)N1CCCN(C[C@H](O)c2ccccc2)CC1 1529094536 HKNPGDDZXBEOJH-FQEVSTJZSA-N 368.477 2.967 0 50 FFAA CC1=NN(C(=O)c2cccc(Br)c2)[C@](O)(C(F)(F)F)C1 820275 JNYGDGHCLQSDSV-LLVKDONJSA-N 351.122 2.922 0 50 FFAA Cc1ccc2oc(CN3CC[C@H]4[C@H](CCC(=O)N4CCN)C3)c(C)c2c1 215049527 WPEDEUMXVGDCTF-AEFFLSMTSA-N 355.482 2.821 0 50 FFAA O=C(c1cncc(NC[C@@H]2CCN(C3CCCCC3)C2)n1)N1CCCC1 1704296977 AXDFXLJMDFXYMN-INIZCTEOSA-N 357.502 2.779 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NCC2(C)COC2)cc1 1704324928 HKCDKUJZPYQSRR-UHFFFAOYSA-N 371.437 2.717 0 50 FFAA Cc1cc(N2C[C@H]3[C@H](C2)C3(CO)CO)c2cc(C(F)(F)F)ccc2n1 1772806473 YNFCIIZUZULWEL-KBPBESRZSA-N 352.356 2.599 0 50 FFAA O=C(O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 12336762 QZLGYHOJUHNZKB-BEFAXECRSA-N 353.374 2.980 0 50 FFAA CC(C)CC(=O)C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12385615 SSZWNLGZMGQBAG-KRWDZBQOSA-N 352.434 2.672 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccn1 12707037 DELKRFPSGDNGNC-ZDUSSCGKSA-N 363.339 2.631 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](NCC(C)C)CC2 14538456 YPESPOVOXWABGH-KRWDZBQOSA-N 354.498 2.588 0 50 FFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2C 14748406 PYRMANWWAYOSIH-MRXNPFEDSA-N 358.486 2.541 0 50 FFAA COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(O)n2)c1 16806814 KUKIVRUQXFAGFL-UHFFFAOYSA-N 368.418 2.984 0 50 FFAA CC(C)N1CCC(N2CCN(CCCc3ccccc3)C[C@@H]2CCO)CC1 19745167 OFYYMUOTCCXAHG-QHCPKHFHSA-N 373.585 2.861 0 50 FFAA Cc1ccnn1CCC(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857679096 WUEFEYTVGVAOJZ-WAOWUJCRSA-N 367.449 2.659 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(C)nc3ccc(F)cc13)C2 1857680760 OGOASIZSFQALGH-IBGZPJMESA-N 357.385 2.739 0 50 FFAA CCCc1nnc(N2C[C@@H](C(=O)NCCC3=CCCCC3)CC2=O)s1 1857709197 KKUKLVAHRVGHGF-AWEZNQCLSA-N 362.499 2.850 0 50 FFAA COc1cccc(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)c1 1857723247 XCLIYHVKNKZTDX-GPQLQYNLSA-N 370.493 2.591 0 50 FFAA O=C(Cc1ccccn1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857724175 OSRGUQXANLHFCL-CEXWTWQISA-N 371.868 2.608 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)O)c3)cn21 416407883 MRNYLJJKNVKGRG-SECBINFHSA-N 369.830 2.933 0 50 FFAA CCC[C@H]1C(=O)NCCN1C(=O)c1[nH]c2ccccc2c1Br 123148072 FQHQARDFYRKJOW-LBPRGKRZSA-N 364.243 2.671 0 50 FFAA CNC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 237319402 LNNCWGPXLDCJTD-SNVBAGLBSA-N 370.824 2.979 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](CC(C)C)C(=O)O 262424438 DBVDQDGGHLUWHK-SJLPKXTDSA-N 358.438 2.814 0 50 FFAA CN(C)c1nc2ccc(C(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)cc2[nH]1 1875294469 SPFBEGRRDYXMRX-YJBOKZPZSA-N 350.422 2.577 0 50 FFAA NC(=O)c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)s1 1875356806 SEAKELWOTKSUBB-UHFFFAOYSA-N 352.771 2.579 0 50 FFAA C[C@H](NC(=O)c1cncnc1N[C@@H]1CCSC(C)(C)C1)c1cn(C)cn1 1875360707 GUPLQITZTBVNDR-QWHCGFSZSA-N 374.514 2.787 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@@](C)(c2cccc(C(F)(F)F)c2)C1 1875366273 IYEXCROLSDJKIG-QGZVFWFLSA-N 354.372 2.840 0 50 FFAA C[C@@H](O)[C@H](N)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1875392327 VWIDEPSMIDAOHY-PEELUZDISA-N 371.868 2.778 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(c3nc(C(C)(C)C)ns3)C2)ccn1 886028020 PMALQCQSSDRGKY-OAHLLOKOSA-N 361.515 2.950 0 50 FFAA CN1C(=O)CC[C@H](C(=O)NCCC2=CCCCCC2)[C@H]1c1nccn1C 886088076 JZKXRVKZTVUMEF-WMZOPIPTSA-N 358.486 2.726 0 50 FFAA Cc1noc(CN2CCCC[C@H](NCc3cccc4ccoc34)C2=O)n1 888078012 BASGGNNLLNRCNS-INIZCTEOSA-N 354.410 2.795 0 50 FFAA CCCOC(=O)NCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 888096910 QYMOGEIELJPAJF-UHFFFAOYSA-N 367.450 2.555 0 50 FFAA CS(=O)(=O)c1ccccc1NS(=O)(=O)c1sccc1C1CC1 2325771113 VBQOGIMKZOHJPM-UHFFFAOYSA-N 357.478 2.830 0 50 FFAA CN(c1ccnc(-c2cc(Cn3cccn3)ccc2F)n1)C1CCNCC1 2325796840 UHCCKHBGKIZWBT-UHFFFAOYSA-N 366.444 2.716 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1 868594363 KXNAQBKQHXHEDO-KRWDZBQOSA-N 352.438 2.810 0 50 FFAA COc1cccc(CC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)c1 2356161566 AFINRUUFQGPFBN-NRFANRHFSA-N 351.450 2.843 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356167024 RMUKQMUIQSZYBL-NRFANRHFSA-N 351.450 2.855 0 50 FFAA CSc1nc(SCC(N)=O)c2sc3c(c2n1)COC(C)(C)C3 6758749 JBMVOLQORIZATM-UHFFFAOYSA-N 355.510 2.842 0 50 FFAA Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c(C)c1C 114209626 FTWLWNPHGFFXDJ-KRWDZBQOSA-N 362.499 2.846 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC(CO)(Cc2ccccc2)CC1 67947684 SGVQKIUCCSJVJQ-UHFFFAOYSA-N 373.474 2.977 0 50 FFAA Cc1[nH]cnc1CN1CCc2[nH]cnc2[C@@H]1c1cc2c(cc1Cl)OCO2 67956496 ZWACPSMIALKLCR-SFHVURJKSA-N 371.828 2.971 0 50 FFAA Cc1ccc(OC2(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)CCNCC2)cc1 65396964 MTGMNHMGTMRBKF-UHFFFAOYSA-N 368.481 2.755 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cnn(Cc2ccccc2)c1 65409703 OUKJEQHNCPOOAX-UHFFFAOYSA-N 359.389 2.911 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(C)cc2C)C1 65364422 MTYIXSVBRYMVPR-HOTGVXAUSA-N 352.500 2.542 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCCc2cscn2)n1C 328627718 MZKKCMDMPKAHGL-INIZCTEOSA-N 360.483 2.528 0 50 FFAA O[C@@H](COc1ccccc1CN1CCCCCC1)CN1CCSCC1 12430858 REZADZGHZVRWDR-LJQANCHMSA-N 364.555 2.851 0 50 FFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-n2cnnc2)cc1 214950953 WZCBQNHBDRSYKC-HNNXBMFYSA-N 350.422 2.979 0 50 FFAA CN(C)Cc1nnc(C2CCN(c3nccc(C4CCCC4)n3)CC2)n1C 77356314 DHSOEHQDNKHXBM-UHFFFAOYSA-N 369.517 2.708 0 50 FFAA COc1cccc(N2CCN(Cc3cnc(N(C)C)nc3)CC2(C)C)c1 215775078 SFECGKUDKNJTHT-UHFFFAOYSA-N 355.486 2.652 0 50 FFAA CCOc1cccc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 328626639 FHTYNSKZLXDPBT-OXJNMPFZSA-N 357.502 2.729 0 50 FFAA CNC(=O)[C@H]1CCCCN1C(=O)CCc1nc(C)c(-c2ccccc2)o1 171539358 VUNDIRLJVWRGAE-MRXNPFEDSA-N 355.438 2.710 0 50 FFAA C[C@H]1C[C@@H](C(=O)N(CCO)Cc2cccc(Br)c2)CCC1=O 331163890 RXNQNPSZWKADSL-JSGCOSHPSA-N 368.271 2.775 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)OC1=O 72425369 XQSBPTNLIVBYHO-CQSZACIVSA-N 374.485 2.904 0 50 FFAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1C[C@@H]2CC[C@H](C1)O2 371103684 GXFNTEJPSASTNW-BETUJISGSA-N 362.227 2.843 0 50 FFAA CCCCN1C[C@@]2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O 77298400 NTZQBEFKRWKWEX-FQEVSTJZSA-N 362.470 2.653 0 50 FFAA Cc1nc([C@@H]2CCCN2Cc2c(-c3cc(C)on3)nn(C)c2Cl)n[nH]1 215103931 DGEIQCZUVYDTMT-ZDUSSCGKSA-N 361.837 2.801 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 172856601 LQHVKURSPRHQTO-OAGGEKHMSA-N 369.421 2.659 0 50 FFAA Cc1ccc(C(=O)N(CC(=O)O)Cc2cccc(Br)c2)n1C 263196212 MZWPAJHSRLLDBL-UHFFFAOYSA-N 365.227 2.823 0 50 FFAA CCc1ocnc1C(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 222620471 LKZRYBKTDHOHIK-IBGZPJMESA-N 366.421 2.561 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1ccccc1C(F)(F)F 426538371 NLCIIWWPBBDWKF-AWEZNQCLSA-N 366.387 2.685 0 50 FFAA C[C@@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)N1CCOCC1 426615233 ZGTDHPXUWONDFH-HNNXBMFYSA-N 372.444 2.513 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@H](Nc2ccccc2)C1 175856826 LFCLVSAJEZXSAK-INIZCTEOSA-N 351.410 2.710 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C1 176036604 RPOASZIEDNJZOW-YQQAZPJKSA-N 363.889 2.711 0 50 FFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1nn(C)cc1Cl)CC2 426370736 XWEFGLCLIXMVSZ-DHSIGJKJSA-N 367.877 2.652 0 50 FFAA O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 226087355 CFWBQGMHJVKTNL-SNVBAGLBSA-N 352.239 2.620 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)n1 426538489 YTCHTKUDONAUOD-MRXNPFEDSA-N 364.405 2.536 0 50 FFAA COC(=O)c1ccccc1-c1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1 426619984 GBKLREPWGKLWOK-FQEVSTJZSA-N 364.445 2.964 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)NCc1sc2ccccc2c1Cl 426424238 JVZFLLYHWRBQPR-LLVKDONJSA-N 351.859 2.975 0 50 FFAA O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(N2CCCCCC2)nc1 195275744 AEOSCVSNYBGNAJ-INIZCTEOSA-N 369.469 2.947 0 50 FFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccncc2)Cc2ccc(O)cc2)C1 97307192 VGEQYRBGCMOPAS-DLBZAZTESA-N 354.406 2.817 0 50 FFAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)N(CCCO)Cc1ccccc1 426541549 ROPNSEFENCHEIQ-VQTJNVASSA-N 359.514 2.845 0 50 FFAA CNc1cc(C)nc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 91526515 NMMIQHHWDLGJGM-KRWDZBQOSA-N 363.469 2.851 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CC2 97570853 BKWXJUNIPNENON-GOSISDBHSA-N 355.438 2.877 0 50 FFAA Cc1cc2cccc(NC(=O)N3CCC[C@@H](c4nnc(CO)n4C)C3)c2o1 95512571 QOCZUZHPKDPAIW-CQSZACIVSA-N 369.425 2.774 0 50 FFAA Cc1ncsc1CCNC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 426409248 GPHKNZVFTBEHII-UHFFFAOYSA-N 360.483 2.837 0 50 FFAA CC(C)[C@@H]1C=CCN1C(=O)NCCn1nc(-c2ccccc2)ccc1=O 426420627 LERPWZLWVQMSLO-SFHVURJKSA-N 352.438 2.516 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)Nc1cc(C)nn1-c1ccc(OC)cc1 96179704 NLNHAQDDLZIYLD-OAHLLOKOSA-N 368.441 2.986 0 50 FFAA O=C(Cc1ccc(F)c(Cl)c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91433994 POAAQYJUYGOQIU-HZPDHXFCSA-N 368.880 2.574 0 50 FFAA CC(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)[nH]1 97522193 INGPNNJYPUHKHT-RMKNXTFCSA-N 365.477 2.970 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2cccs2)CNC3=O)c1 263615685 DQPUNQKZFTYMAB-KRWDZBQOSA-N 354.435 2.652 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)NCCc2nc(C(=O)O)cs2)cc1 455887235 HZVZOCWNJNNZRN-NSHDSACASA-N 350.465 2.989 0 50 FFAA COc1ccc(CC[C@H]2CCCN(C(=O)CSc3ncn[nH]3)C2)cc1 71746604 QBKCLJVDCRTRDD-OAHLLOKOSA-N 360.483 2.777 0 50 FFAA COCCc1noc(CN(C)C(=O)c2cccc(-c3nccs3)c2)n1 299786461 UKRILYMCNGVTSE-UHFFFAOYSA-N 358.423 2.654 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCCN1C(=O)C1CC1 299778824 HTAJEJMJGKZHMO-IBGZPJMESA-N 353.466 2.926 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2cccc(OC)c2F)c1C 824424385 PIWKUKGHWGCYOI-UHFFFAOYSA-N 360.385 2.771 0 50 FFAA C[C@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1CN 1342739196 IIEAMCCOJKYWSC-JSGCOSHPSA-N 373.478 2.525 0 50 FFAA Cc1ccccc1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1CCCCC1 952862775 QJMDGZYHVXRDQZ-KRWDZBQOSA-N 357.454 2.645 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2csc(CN(C)C)n2)cc1 952984023 TYYMJBYSLFZEJX-GFCCVEGCSA-N 358.467 2.972 0 50 FFAA CC(C)c1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)O)cs2)cc1 268963791 BFNBICMGSXRFBT-OAHLLOKOSA-N 360.435 2.859 0 50 FFAA CCCn1c(CN[C@H]2CCCN(c3nccnc3O)C2)nc2ccccc21 275430973 FFLYIFIAZVDQFX-HNNXBMFYSA-N 366.469 2.701 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nccn1-c1ccccc1 276600108 GASIRPPLUJXRMB-PXNSSMCTSA-N 351.454 2.842 0 50 FFAA CC[C@]1(CO)CCCN1C(=O)NCC1CCN(Cc2ccccc2)CC1 190633829 DWCLGAXOYFAIPL-OAQYLSRUSA-N 359.514 2.845 0 50 FFAA CCCCc1nc(NC(=O)c2ccc3nccn3c2)c(C(=O)OCC)[nH]1 191962583 UIKGLVLKJMMMEE-UHFFFAOYSA-N 355.398 2.829 0 50 FFAA O=C1CCCC[C@H](C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)N1 193969085 YMOXUWZGPHTHHY-MRXNPFEDSA-N 357.385 2.688 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccnc(N(C)C)c2)n1C 780067736 LWOITGZCEXIAND-KRWDZBQOSA-N 355.486 2.573 0 50 FFAA Cc1cc(C[C@H]2CN(Cc3nc4ccccc4n3C(C)C)C[C@@H]2O)on1 1616080282 GZDDWQBXDAPSKY-KXBFYZLASA-N 354.454 2.949 0 50 FFAA COCCCNC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704337353 QYCWVWLIAKYKRD-UHFFFAOYSA-N 359.426 2.717 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1704330972 INQOPTZIABLHAM-LJQANCHMSA-N 351.450 2.728 0 50 FFAA O=C(NCCn1cncn1)c1cc(C(c2ccccc2)c2ccccc2)no1 12040487 OQINPNVVZSNIQQ-UHFFFAOYSA-N 373.416 2.876 0 50 FFAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC(N2CCOCC2)CC1 19221116 LTTDHIJJLQDUFQ-UHFFFAOYSA-N 355.438 2.642 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)Cc1ccccc1O)CC2 1857696878 PCSMHBAFYVWUNK-UHFFFAOYSA-N 361.445 2.963 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc2sc(=N)[nH]c2c1 1857716010 RYBVEDLUEKFQFT-UHFFFAOYSA-N 371.447 2.691 0 50 FFAA CCCN1C[C@@H]2[C@H](CNC(=O)c3ccc(C(C)=O)cc3)[C@H]3CC[C@]2(C1)O3 1857726388 OOKULAOAGCTGEC-QEUVDIPISA-N 356.466 2.508 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)CC[C@H]1N 1875245698 MLASFCCCGNLTKY-HDMKZQKVSA-N 358.486 2.719 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cs1 367527457 OTDNIPBKKBRUCL-SUMWQHHRSA-N 374.510 2.908 0 50 FFAA CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@@H]1CCCc2nn(C)cc21 831425359 DGIDASJNWGNZQT-CQSZACIVSA-N 362.380 2.664 0 50 FFAA CN1C[C@@H](OC(=O)CC2c3ccccc3Oc3ccccc32)CNC1=O 1875338610 DOBQYMCOJQZQNU-ZDUSSCGKSA-N 352.390 2.881 0 50 FFAA CN(C)c1ccc(C(C)(C)CNCc2ccc(-n3ccnn3)cc2)cn1 1875327018 VQSRGYQQTMVBNN-UHFFFAOYSA-N 350.470 2.796 0 50 FFAA C[C@H](NC(=O)N1CC(O)(C(F)(F)F)C1)c1ccc(-c2cncnc2)cc1 2325776128 PKWZQRUPSOUYAF-NSHDSACASA-N 366.343 2.523 0 50 FFAA O=C(Cc1cc2ccccc2nc1O)NC[C@@H]1NCCc2sccc21 2325810238 DOBQKNPNLUELAJ-INIZCTEOSA-N 353.447 2.548 0 50 FFAA O=C(CN1CC[C@](O)(c2cccc(C(F)(F)F)c2)C1)NCC1CCC1 2325853792 BORHOXSUIZQNOI-QGZVFWFLSA-N 356.388 2.515 0 50 FFAA CN(C)[C@H](CN=c1[nH]c2cc(Br)cnc2[nH]1)c1ccsc1 2325859741 JCTWNZQLZOFONH-GFCCVEGCSA-N 366.288 2.919 0 50 FFAA COC(=O)c1cn(-c2ccc(Br)cc2C)nc1C(=O)OC 630077 SXYRNAYDSQZPTE-UHFFFAOYSA-N 353.172 2.516 0 50 FFAA CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2C(=O)O)CC1 1495009 OFHZVQJKTJTTOH-UHFFFAOYSA-N 369.439 2.558 0 50 FFAA Cc1nc(-c2ccc(C(=O)NCc3cnc4cnccn34)cc2)ccc1O 2356146771 UVZFPBBNAXSCLX-UHFFFAOYSA-N 359.389 2.735 0 50 FFAA CN(C(=O)CCc1nc2ccccc2s1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356147269 OXDJWJSQCHSUAM-MJBXVCDLSA-N 357.479 2.602 0 50 FFAA COc1ccccc1NC(=O)COc1ccc(Br)cc1CO 2554829 OPVWMZYNZMBDDM-UHFFFAOYSA-N 366.211 2.968 0 50 FFAA O=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1 2720359 KGWLRGVGNQTVIG-UHFFFAOYSA-N 370.434 2.771 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)CCCc1nc3ccccc3s1)C2 2356169793 HBYXUCGAWSJUCB-LIRRHRJNSA-N 360.479 2.740 0 50 FFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC 4760624 IYVYOUHROQHPGA-BPUTZDHNSA-N 364.442 2.697 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CC1)c1cc(Cl)c(Cl)cc1Cl 4810685 MZUWRXNNZUFBJX-UHFFFAOYSA-N 371.673 2.691 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)C2)c1 109680570 XJBYZYLQKQZMSQ-IBGZPJMESA-N 366.465 2.725 0 50 FFAA CC(C)(C)c1noc(COC(=O)c2nn(-c3ccc(F)cc3)cc2O)n1 225664626 BZBZNTODGDDLAM-UHFFFAOYSA-N 360.345 2.755 0 50 FFAA CCCN1CCC(NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)CC1 67674817 ZEBNDDAIAYUUNI-UHFFFAOYSA-N 360.433 2.732 0 50 FFAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 55422051 KGPKAPUADXKHDJ-IBGZPJMESA-N 352.434 2.607 0 50 FFAA O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 249738399 WZCCSOZXRLZDKR-GDBMZVCRSA-N 374.378 3.000 0 50 FFAA CC(C)(NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1nccs1 118847479 VIVDKBJYESECNW-OAHLLOKOSA-N 363.458 2.707 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCCN(c2ncccn2)C1 12090215 KYSWONNBQHRQBC-HNNXBMFYSA-N 360.845 2.602 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 12447581 QRJRYJOOZXVOOE-AWEZNQCLSA-N 372.425 2.553 0 50 FFAA COCc1ncsc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 423612538 POLKSVAAQGKKTC-CQSZACIVSA-N 351.859 2.730 0 50 FFAA CCN(CC)C(=O)CC[C@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1 12185014 HNYXHOJIJYHUON-IBGZPJMESA-N 350.434 2.674 0 50 FFAA Oc1cc(CC[C@@H]2CCCCN2)cc(-c2cc(N3CCOCC3)ncn2)c1 71749464 RBXNKADMYJAMSC-SFHVURJKSA-N 368.481 2.761 0 50 FFAA Cc1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)oc1C 252512759 VIKHDVAWGMWYQB-XHSDSOJGSA-N 355.442 2.535 0 50 FFAA CN(C[C@@H]1CCCCO1)c1ncnc2c1CCN(Cc1ccoc1)CC2 72433724 KFJNJSXPDYUYDI-KRWDZBQOSA-N 356.470 2.676 0 50 FFAA Cc1nc(C)c(CCNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)s1 122514544 QPSRJRYZHRSWML-MRXNPFEDSA-N 361.467 2.791 0 50 FFAA Cc1ccoc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71762909 GFUOZFMMNLIMBI-QGZVFWFLSA-N 373.497 2.527 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)NCc1noc(-c2ccco2)n1 33327842 GMPCGBRSNLLAFM-UHFFFAOYSA-N 365.349 2.629 0 50 FFAA O=C(c1ccnc(-n2cnnc2)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71762675 YTFPKWPQXCOYDY-INIZCTEOSA-N 369.812 2.529 0 50 FFAA COCc1ccc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)o1 72476782 KSLJKVNIZHWIMU-UHFFFAOYSA-N 370.453 2.836 0 50 FFAA O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@H]1[C@@H]1CCCO1 332813522 QRBBIQZKAGOZCT-IKGGRYGDSA-N 350.846 2.917 0 50 FFAA COc1cc(Cl)cc(CN(C)C2CCN(C)CC2)c1O[C@H](C)C(=O)O 216274803 NMKLHEOLKVQEKO-GFCCVEGCSA-N 370.877 2.727 0 50 FFAA CN[C@H](C)Cc1noc(-c2ccc(OCc3cscn3)c(OC)c2)n1 261870218 VFKZTDAYMKTOMT-LLVKDONJSA-N 360.439 2.931 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1C 333915490 ZCOPPSIAWHDZJQ-INIZCTEOSA-N 365.437 2.641 0 50 FFAA CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2ccc3c(c2)CCO3)C1 172466887 BDAWBQDNIOHHKY-GOSISDBHSA-N 368.481 2.970 0 50 FFAA O=C(CCNC(=O)N1CCCN(C2CCCC2)CC1)Nc1ccccc1 172590279 OUTMBWASFIVDIO-UHFFFAOYSA-N 358.486 2.675 0 50 FFAA CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 455542923 NSMRHDFRTKLKPO-HZPDHXFCSA-N 367.515 2.740 0 50 FFAA O=C(CCN1CCCCCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 220628942 AZBRHMITFQNQQM-MOPGFXCFSA-N 364.461 2.744 0 50 FFAA O=C(c1cccc2nccnc12)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 20109998 BUUHSNBKTXLVFZ-IBGZPJMESA-N 356.389 2.536 0 50 FFAA CNC(=O)c1cc(NC(=O)NCCCn2nc(C)c(C)c2C)ccc1F 426628736 INIKOIQJALEGTB-UHFFFAOYSA-N 361.421 2.519 0 50 FFAA Cc1ccccc1-c1noc(CN2CCC[C@H](c3ccn(CCO)n3)C2)n1 426563429 TUCJTGGPACWDMZ-INIZCTEOSA-N 367.453 2.613 0 50 FFAA COc1cc(CN(C)C)cc(OC)c1-c1cn(C)c(=O)c2cnccc12 575598586 YJQYNVIHEGBSHB-UHFFFAOYSA-N 353.422 2.679 0 50 FFAA in-vitro Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](CN2CCCCC2)C1 91289512 WMYRVCAGSSWLMA-ZDUSSCGKSA-N 358.408 2.777 0 50 FFAA COCCN(Cc1ccccn1)C(=O)Nc1cc2c(cc1C)OCCO2 97360093 RMLREDNEGJJKRW-UHFFFAOYSA-N 357.410 2.842 0 50 FFAA C[C@@H](NC(=O)CCc1cn2ccccc2n1)c1ccc(S(C)(=O)=O)cc1 97813731 PGPKZMUWTCQESP-CQSZACIVSA-N 371.462 2.548 0 50 FFAA COCCc1noc(CNC(=O)Nc2cccc(C(F)(F)F)c2F)n1 95503744 RMDQXTYXVTWDKR-UHFFFAOYSA-N 362.283 2.738 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cnc(CN3CCCC3)s2)c1C 97797256 CWYCBWJNINFREY-UHFFFAOYSA-N 361.515 2.545 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCc2nc3ccccc3o2)C1(C)C 91350618 UYPKQPAHLGNRRV-RNODOKPDSA-N 357.454 2.975 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 95528875 QZOAEURJTPOIPE-QGZVFWFLSA-N 360.527 2.845 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(-n3cccn3)cc1)C2 96149363 KVFBLODQNXCDEO-OAHLLOKOSA-N 363.417 2.862 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95503431 AAFGUJSVZKMGLX-XUVXKRRUSA-N 368.456 2.570 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@@H]1Cc2ccccc2O1 244899903 ZSOYYNQDDRRZMI-AWEZNQCLSA-N 358.467 2.680 0 50 FFAA Cc1nc(O)cc([C@H]2CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C2)n1 244715922 LERDQKBVHWPNLV-ZDUSSCGKSA-N 369.421 2.931 0 50 FFAA COc1cccc(CCC(=O)N[C@H](c2cncc(OC)c2)[C@H]2C[C@@H](O)C2)c1 244774208 PPPNFKDPQRGSBW-XPIZARPCSA-N 370.449 2.660 0 50 FFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc(-c2ccccc2Cl)no1 252508519 XOLYVKSPXHMAON-NSHDSACASA-N 366.826 2.560 0 50 FFAA Cc1oc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1C(=O)O 299747196 CIRNKABTOYUWDM-VIFPVBQESA-N 360.391 2.649 0 50 FFAA CCn1ncc2ccc(NC(=O)c3ccnc(O[C@@H]4CCOC4)c3)cc21 183384997 HCSGAYANONPDGD-MRXNPFEDSA-N 352.394 2.871 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cc2ccccc2nc1O 299748998 IVKUPMKQRBDPLQ-SFHVURJKSA-N 362.385 2.521 0 50 FFAA COc1ccc(CNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)cc1C(=O)O 299750940 OVGFQBCYVTXTJO-GOSISDBHSA-N 355.390 2.630 0 50 FFAA O=S(=O)(Cc1ncc(Cl)cc1Cl)c1nnc2n1CCCCC2 184793609 NUBLCSBZBCCNHA-UHFFFAOYSA-N 361.254 2.680 0 50 FFAA CC(C)n1nnnc1-c1ccccc1NC(=O)c1cccc2c1OCCO2 184577663 CKNWCKXANOFOAR-UHFFFAOYSA-N 365.393 2.945 0 50 FFAA CC(C)CN1C[C@H](NCc2ccc(F)cc2F)C[C@H]1C(=O)NC(C)C 32513760 HQITUKPDZSSQIZ-AEFFLSMTSA-N 353.457 2.678 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)s1 299768772 QCOLFYCSSLCBEZ-FQEVSTJZSA-N 369.490 2.839 0 50 FFAA O=C1Cc2cc(NC(=O)N(Cc3ccncc3)C[C@H]3CCCO3)ccc2N1 299789530 ZAIDMCRQMMMEQV-QGZVFWFLSA-N 366.421 2.789 0 50 FFAA O=C(NCCN1CCC(CO)CC1)c1ccccc1-c1ccccc1F 299779093 SLPZUCGNOJRHHG-UHFFFAOYSA-N 356.441 2.927 0 50 FFAA CCc1c(C)nc(C)nc1-c1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1 584885878 TXIQLJXZEHGJJO-UHFFFAOYSA-N 366.465 2.851 0 50 FFAA COCCN1CCC[C@H](CN(C)C(=O)NC2(c3ccccc3C)CC2)C1 584897936 RIRWZLWLIZNWNA-GOSISDBHSA-N 359.514 2.984 0 50 FFAA C[C@@H](C(=O)Nc1ccc(-n2nccn2)cc1)n1ccc(C(F)(F)F)n1 1351684049 IYGBTYJZOIAHGG-JTQLQIEISA-N 350.304 2.682 0 50 FFAA Cc1ccc(F)cc1CC(=O)Nc1ccccc1N1C(=O)N[C@@H](C)C1=O 952976095 JKOHEBHTYWSEOE-LBPRGKRZSA-N 355.369 2.760 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc2c(c1)CCC2 1565509975 LDIDUXWITNZDRU-ROUUACIJSA-N 358.463 2.736 0 50 FFAA O=C(O)[C@]12CN(Cc3ccc(F)cc3F)C[C@H]1CN(C1CCCC1)C2 1565515167 PVRUJAIMMCAQTA-LIRRHRJNSA-N 350.409 2.726 0 50 FFAA Cc1ccc(S(=O)(=O)n2nc(Br)c3cccnc32)cc1 95918516 YHNVMTSUQQQPLV-UHFFFAOYSA-N 352.213 2.739 0 50 FFAA in-vitro Cc1oc2ccccc2c1CNC(=O)N1CCN(c2cnccn2)CC1 186161834 HSXCEPKFPVSMTE-UHFFFAOYSA-N 351.410 2.563 0 50 FFAA CC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCN(c2ccccc2)CC1 170330580 VWADQQNRLYRNKQ-UHFFFAOYSA-N 365.477 2.772 0 50 FFAA C[C@H](NC(=O)c1nc(N)nc2c1CCCC2)c1ccc2c(c1)OCCCO2 1506415432 BQTOKGQDRMICKE-LBPRGKRZSA-N 368.437 2.590 0 50 FFAA Cc1cc(C)c2[nH]c(CN3C[C@H](O)[C@H](Cc4ccncc4)C3)cc(=O)c2c1 1704328662 MRUOIVLFSSELQB-UTKZUKDTSA-N 363.461 2.575 0 50 FFAA CCn1c(C(=O)OC)c(NC(=O)[C@H]2CCOC2)c2cc(NC(C)C)cnc21 14740513 KJXCYGGJOQTJOL-LBPRGKRZSA-N 374.441 2.638 0 50 FFAA O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2 14982699 STDSNJHINFTSKS-MOPGFXCFSA-N 370.493 2.543 0 50 FFAA N[C@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C[C@@H]1c1ccccc1F 1857530713 GISYWDIZRBSOAP-XCRHUMRWSA-N 374.843 2.984 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC[C@H](c2cc[nH]n2)C1 1857731544 UUQIPBAWURZDNK-NSHDSACASA-N 354.439 2.515 0 50 FFAA O=C(NCCOc1ccc(F)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 121930151 BAFVNXXZVOXYKH-FZKQIMNGSA-N 354.397 2.680 0 50 FFAA C[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC(O)=NC1 328859547 YNHBZJTWENINQG-MLGOLLRUSA-N 371.359 2.837 0 50 FFAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n(C)n1 331497739 DNIOGPGJGXUCJX-BXUZGUMPSA-N 353.344 2.695 0 50 FFAA C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ncc(Br)cn1 332521209 ZFQUDALEWKPRRT-JQWIXIFHSA-N 362.227 2.668 0 50 FFAA N[C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 237909923 YKEKLGRPXQHZNA-OLZOCXBDSA-N 360.483 2.589 0 50 FFAA O=C(c1occc1COc1ccccc1)N1CCC[C@@H](c2nc[nH]n2)C1 364332031 WYMBEUGPAOGRFD-CQSZACIVSA-N 352.394 2.997 0 50 FFAA COC(=O)c1cn([C@H]2CCN(Cc3ccc(Cl)c4cccnc34)C2)nn1 375203795 XCVAQQPDLNXAPJ-ZDUSSCGKSA-N 371.828 2.713 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)NCc2ccc(Cl)c(C)c2)CC1 263227569 MAPQRJYHWTXSGO-UHFFFAOYSA-N 367.877 2.729 0 50 FFAA CCC[C@]1(C(=O)O)CN(c2cc(C)c3ccc(OC)cc3n2)CC[C@H]1O 1704355067 LQFWIEOYKMPTRJ-XLIONFOSSA-N 358.438 2.994 0 50 FFAA Cn1cc(-c2ccnc(C3CCN(C(=O)N[C@H]4CC=CCC4)CC3)n2)cn1 952890809 JDTRHPXUVVJFAH-KRWDZBQOSA-N 366.469 2.875 0 50 FFAA CN(C)c1cc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2C[C@H](CO)C3)c2ccccc2n1 1875358462 WYWCDSKTYUJLNJ-PVGDPBLGSA-N 353.466 2.828 0 50 FFAA CC(C)(NC(=O)C1CC2(COC(=O)N2)C1)c1ccc(C(F)(F)F)cc1 1875325821 UPDVVJGTMACDRK-UHFFFAOYSA-N 356.344 2.945 0 50 FFAA Cc1noc(C2CN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C2)n1 1875320032 CYSRFHRDWFCHRE-UHFFFAOYSA-N 352.316 2.909 0 50 FFAA CC(=O)N1C[C@@H](Nc2cc(NCC3CC3)ncn2)CC[C@@H]1C(F)(F)F 886027807 XAXZZMHKGVZPCQ-QWHCGFSZSA-N 357.380 2.652 0 50 FFAA COc1cc2c(c(NC(=O)c3cccc(C)c3OC)c1OC)C(=O)OC2 6668067 XXUOFVYXJHJTKS-UHFFFAOYSA-N 357.362 2.944 0 50 FFAA O=C(NCCN1CCCCC1)c1ccc(I)cc1 1640558 WCMWVYQHPUQKHW-UHFFFAOYSA-N 358.223 2.507 0 50 FFAA in-vitro COc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1OC 771866 ZKLBZOHWBKUYBF-DOTOQJQBSA-N 352.390 2.873 0 50 FFAA biogenic O=C(Nc1ccccn1)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 794589 YWBYNQIDGROGDX-HZPDHXFCSA-N 365.389 2.939 0 50 FFAA COC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O 958435 ODDMUYSZTGFWAM-UHFFFAOYSA-N 371.418 2.500 0 50 FFAA CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 1076360 UUMJUIIANMQHPX-UHFFFAOYSA-N 358.891 2.800 0 50 FFAA C[C@@]1(O)CCOC2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)C1 2356141801 QDAZIQLTEVQFKY-QGZVFWFLSA-N 353.846 2.965 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ccccc1OC1CCCC1 2356146528 JZYAEJLJEGMUJK-JOCHJYFZSA-N 372.509 2.957 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)[C@H]3CCCN(c4ccccn4)C3)C[C@H]2C1 2356147535 AIPFPPGWSNPPEO-UHZRXMQZSA-N 370.541 2.875 0 50 FFAA OC1CCN(c2nccn3c(-c4ccc(-c5cn[nH]c5)cc4)cnc23)CC1 2356155836 ONXJEDUDZDGPDX-UHFFFAOYSA-N 360.421 2.748 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@H]4[C@@H](CO)[C@@H]5CC[C@@]4(C3)O5)coc2c1 2356165473 AXFLLRVJAOUBGX-JJDSTIRJSA-N 355.434 2.590 0 50 FFAA COc1cc(Br)cc2cc(C(=O)n3ccc(C)n3)c(=O)oc12 2707837 VKBIHPJICCYIOL-UHFFFAOYSA-N 363.167 2.758 0 50 FFAA CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1N=O 4031823 YIANCSFSDVXWFE-HNNXBMFYSA-N 354.366 2.923 0 50 FFAA COc1cc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)ccc1O 4519939 VTHZFPOLFKBNHD-AWEZNQCLSA-N 351.358 2.732 0 50 FFAA COc1cc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 10542887 GNFQYECIOPSKPL-GASCZTMLSA-N 364.486 2.810 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 225454872 AQWZACKUIRTGQS-PELKAZGASA-N 357.193 2.714 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 106235466 ZLJXVRSWDZYCFW-NVXWUHKLSA-N 352.500 2.542 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cc[nH]n3)C2)cc1OC 22914225 FXCDEXJWWAKRIL-GOSISDBHSA-N 358.486 2.566 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 21794965 YCIBJYNFPAFRHQ-UHFFFAOYSA-N 374.876 2.859 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)n1 67621527 KFNCNIIWRZRSJK-UHFFFAOYSA-N 353.470 2.742 0 50 FFAA Cc1nc(CN2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cs1 24208617 MRHSROSETJURLK-UHFFFAOYSA-N 360.439 2.530 0 50 FFAA Cc1cnn([C@H](C)CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)c1 67975668 SESGNGCDMJISNV-OAHLLOKOSA-N 362.437 2.909 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H]2C=CCN2)CCO3)s1 67771703 BRQYEDDAPYJOPP-OAHLLOKOSA-N 356.447 2.678 0 50 FFAA COc1ccccc1S(=O)(=O)C[C@H](O)COc1ccccc1Cl 1399267 GBDJFXSGRHNCTO-GFCCVEGCSA-N 356.827 2.562 0 50 FFAA CCc1nc(NCc2c[nH]nc2-c2ccc(OC)cc2)c2cnn(C)c2n1 72137384 GEPCSSWSCYJIRE-UHFFFAOYSA-N 363.425 2.937 0 50 FFAA CN(Cc1ccc(F)cc1)C(=O)CN1CCCC[C@H]1[C@@H](O)C(F)(F)F 229981459 NWORXAWXXDFRQV-GOEBONIOSA-N 362.367 2.562 0 50 FFAA CN(C)Cc1nnc(C2CCN(c3nc4ccccc4s3)CC2)n1C 77424368 FMFGQDANNQUFAN-UHFFFAOYSA-N 356.499 2.870 0 50 FFAA CCOCc1ccccc1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 122089968 MLRXHHSIVHLFPM-SFHVURJKSA-N 358.442 2.920 0 50 FFAA C[C@@]1(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CCCO1 77321209 IXMDFUYOJYLILQ-FQEVSTJZSA-N 372.465 2.612 0 50 FFAA O=C(CCn1cncn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77379369 UKLXUAFKUUANGA-HNNXBMFYSA-N 368.416 2.604 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)n3)C2)n1 124438412 CGXIWHLHVPHQJC-HNNXBMFYSA-N 353.426 2.976 0 50 FFAA COc1ccccc1CNC(=O)C[C@@H]1COCCN1C(=O)C1CCCCC1 72473347 SDPXENROGUQZPU-GOSISDBHSA-N 374.481 2.509 0 50 FFAA Cc1nc(N2CCOCC2)ccc1Nc1ncc(Br)cn1 154573882 BKSBMVIJRJTRQE-UHFFFAOYSA-N 350.220 2.523 0 50 FFAA Cc1nc(C2CC2)oc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 363958700 DAIZIBOMVNGOSM-UHFFFAOYSA-N 353.422 2.849 0 50 FFAA OCC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1CC1CCCCC1 72433616 YFBIMPWYBCLZIJ-OAHLLOKOSA-N 372.435 2.949 0 50 FFAA COc1nc2c(cc1CN[C@@H](C)CC(C)(C)O)C(=O)N(C1CCCC1)C2 71749462 ZKESOHXYCXRLBC-ZDUSSCGKSA-N 361.486 2.628 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CCN(CC2CC2)[C@@H](CCO)C1 77320043 IOUMGKNTPIMYMG-IBGZPJMESA-N 364.917 2.968 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCOc1ccccc1C 72431610 IAFQVWDLIPATBP-IBGZPJMESA-N 373.541 2.686 0 50 FFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(OC(F)F)n(C)n1 281754878 KBFVUIOSWUOKGT-LBPRGKRZSA-N 353.373 2.605 0 50 FFAA CN1CC2(CCNCC2)C[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 72454684 PNIYJOKZTPBDQI-GOSISDBHSA-N 361.917 2.905 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCCn1c(=O)oc2ccccc21 241161306 JZUSBDUGWWIGLB-INMHGKMJSA-N 358.438 2.791 0 50 FFAA Cc1cccc(-c2ccc(CN3CCn4nc([C@H](O)CO)cc4C3)cc2)c1 221378628 VIPANIOBSYLJHF-JOCHJYFZSA-N 363.461 2.900 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1C[C@]12CCc1ccccc12 263368899 XFNMOHUPBMVESX-GCJKJVERSA-N 365.429 2.956 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC3(CCNCC3)CC2)cc1Cl 323508237 ALTMAQOXKXGQLY-UHFFFAOYSA-N 358.891 2.503 0 50 FFAA Cc1nc(NCCc2nc3ccc(Cl)cc3[nH]2)cc([C@H]2CCOC2)n1 426571557 DSQZCTODQDJOKD-LBPRGKRZSA-N 357.845 3.473 0 50 FFAA COCCn1cnnc1CNC(=O)c1ccc(-c2ccccc2OC)cc1 426621886 ZDXWFYCVGWGTFW-UHFFFAOYSA-N 366.421 2.530 0 50 FFAA COCc1ccc(C(=O)NCC2(N3CCOCC3)CCCCCC2)o1 97547873 PBSHGHZNHULRCM-UHFFFAOYSA-N 350.459 2.581 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(F)c2F)CC1 91807608 DQJGKCFCPVLBEH-UHFFFAOYSA-N 372.423 2.718 0 50 FFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cncnc2C)cc1 97527294 BRESOGFIKIHBHR-GOSISDBHSA-N 355.438 2.658 0 50 FFAA Clc1ccc(CN2CCCO[C@@H](CN3CCOCC3)C2)cc1Cl 97436855 UBNNHLXZCQRKKT-HNNXBMFYSA-N 359.297 2.917 0 50 FFAA Cc1cccnc1C[C@H](C)NC(=O)N1CCN(Cc2ncccc2C)CC1 426606756 OROGJLCUDKOKMP-SFHVURJKSA-N 367.497 2.552 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)c2coc(CN3CCOCC3)c2)c1 97463578 OFHPBGXHGGARKM-LJQANCHMSA-N 356.422 2.708 0 50 FFAA Cc1nnc2n1[C@H](C)CN(C(=O)c1ccc(CN3CCC(C)CC3)o1)C2 96149989 LXBXFIDVOFAYNA-CQSZACIVSA-N 357.458 2.628 0 50 FFAA O=C(NCCc1ccccc1F)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91973951 XNPHHIWJIBXEAF-NRFANRHFSA-N 373.472 2.945 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc3c(c2)COC3=O)nc2c1CCCC2 96151788 SZHLMIINRXTKOJ-UHFFFAOYSA-N 366.421 2.698 0 50 FFAA O=C(NCc1cc(-c2ccccc2F)no1)[C@H]1CC(=O)N(C2CCCC2)C1 91526333 IFEDTBMVYGOCBX-ZDUSSCGKSA-N 371.412 2.888 0 50 FFAA CC(=O)NCCCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91494079 RFAYMTYQRDNMTF-LLVKDONJSA-N 364.396 2.552 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91574869 PJXUUXURSFXTSY-GOSISDBHSA-N 352.394 2.637 0 50 FFAA COc1cccc(OC2CN(C(=O)c3cc(-c4ccccc4)n(C)n3)C2)c1 91474045 URDBUSCSZLZAEZ-UHFFFAOYSA-N 363.417 2.999 0 50 FFAA Cc1nc(-c2ncc(C(=O)N3CCC[C@@H]3c3ccccn3)c(O)n2)cs1 91755808 JMQCYIHGNKGWQU-OAHLLOKOSA-N 367.434 2.986 0 50 FFAA Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239173854 OVATWFADTCMBJK-LXJANLPBSA-N 364.445 2.685 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccc(-n2cccn2)cc1)c1ccccc1F 95383052 GNUWIMRPYGJFLB-LJQANCHMSA-N 352.413 2.931 0 50 FFAA COCCc1nc([C@@H]2Cc3ccccc3C(=O)N2)n(-c2ccc(C)cc2)n1 96132380 UHCYBBXSFASZGR-SFHVURJKSA-N 362.433 2.792 0 50 FFAA COc1coc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cc1=O 95359117 WLRJXKSBKFDCIY-ZDUSSCGKSA-N 367.405 2.853 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1Cl 267513193 CKYCIIQFPHDEGD-PLWJUESGSA-N 352.847 2.665 0 50 FFAA FC(F)(F)c1nnc(N2CCN(CCCc3cccnc3)CC2)s1 243892399 AHSCRMCTFVIKSY-UHFFFAOYSA-N 357.405 2.707 0 50 FFAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 184131170 DXYVJWOROKYBGA-LLVKDONJSA-N 367.375 2.981 0 50 FFAA COc1ccc2oc(CNC(=O)N3CC(N4CCCC[C@H]4C)C3)nc2c1 534659683 JZYWSHSERMDKFS-CYBMUJFWSA-N 358.442 2.605 0 50 FFAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1cc(C)c(-c2ccccc2)s1 65454802 MMXHHXVTFAGTOQ-LSDHHAIUSA-N 359.447 2.862 0 50 FFAA CN(C(=O)NCc1cccc(CO)c1)[C@H]1CCN(Cc2ccccc2)C1 475113212 REZMSALETMVLTJ-FQEVSTJZSA-N 353.466 2.595 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNc3noc(-c4ccccc4)n3)cc2C1 299781611 LGIJJGBBXVGEJA-UHFFFAOYSA-N 366.425 2.543 0 50 FFAA COCCNCC[C@H]1CCC(=O)N1CCc1nc(-c2ccccc2)cs1 299767298 QODXRZSUUJBNKP-QGZVFWFLSA-N 373.522 2.970 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCN1C(=O)C1CC1 299777727 OLILGTGCZSAZMV-LJQANCHMSA-N 373.472 2.702 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCCN(Cc3ccncc3)CC2)cs1 299801448 YNTFEILGSLOPSF-UHFFFAOYSA-N 357.479 2.623 0 50 FFAA Cc1nn(CCCNC(=O)Nc2cc(-c3ccccn3)nn2C)c(C)c1C 299790782 BPTZMOBDNMDNNJ-UHFFFAOYSA-N 367.457 2.816 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1cc3c(cc1Cl)OCO3)C2 1073373860 ADAGTNAHNKCZOT-JSGCOSHPSA-N 365.861 2.647 0 50 FFAA Cc1ccc(OCC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc1C 828012947 BOVZVDLYGUDTHR-INIZCTEOSA-N 356.422 2.696 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1 732268210 HCISLEPYJAAFEA-HNNXBMFYSA-N 367.449 2.657 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2ccc3nsnc3c2)n1 670457987 BDFOJKWRZCVXHC-NSHDSACASA-N 359.480 2.895 0 50 FFAA Cc1cccc(COc2cccc(C(=O)N(C)Cc3nc(=O)o[nH]3)c2)c1 1452364914 NGXAWTKGJQBPKA-UHFFFAOYSA-N 353.378 2.523 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc1 1565515567 VVIOEUUTQOQINR-IRXDYDNUSA-N 362.451 2.646 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)Cc2ccc(C(C)=O)cc2)C1 268416375 VLIACQXRWFHEIC-GOSISDBHSA-N 352.434 2.835 0 50 FFAA CSCc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 95524913 GMROIBCQOIITMG-DNVCBOLYSA-N 359.447 2.753 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)CC(C)(C)C(=O)O)cc2F)C[C@@H](C)O1 170627449 CHVUDGZQFRLNAV-TXEJJXNPSA-N 352.406 2.879 0 50 FFAA CC(=O)N1CC(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)C1 191204247 UYOAIKYXRNIZMR-UHFFFAOYSA-N 361.405 2.556 0 50 FFAA O=C(COC(=O)c1ccc(-n2cccc2)nc1)NCc1ccc(Cl)cc1 753483085 DUQLSWAIGJCAGN-UHFFFAOYSA-N 369.808 2.999 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)c1 1506396165 HHNOPZZXQNNUGP-MRXNPFEDSA-N 352.438 2.912 0 50 FFAA CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H](C)CS2(=O)=O)c1 12003783 WDZIUVROJSMKRX-CYBMUJFWSA-N 372.446 2.814 0 50 FFAA CCOc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2COC)cc1 12274063 VSQMQRAZEAKVQY-UHFFFAOYSA-N 366.421 2.742 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@@H]3c3ccccn3)n[nH]2)n1 12300709 TWJLEFYPXAZXQI-GOSISDBHSA-N 350.426 2.644 0 50 FFAA COC(=O)c1cccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 12387657 USTFEVYHOWICKK-LJQANCHMSA-N 353.418 2.947 0 50 FFAA COc1ncccc1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12431797 PGJZRVNRWHLEOU-GOSISDBHSA-N 365.477 2.794 0 50 FFAA Cc1ccn(CC(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)n1 14949639 ZCGZUOYZQBDWDJ-UHFFFAOYSA-N 372.488 2.744 0 50 FFAA O=C1C[C@@H](NCc2cccc3c2OCO3)CN1Cc1ccccc1Cl 14961880 WBNGWTLFNATIIH-OAHLLOKOSA-N 358.825 2.959 0 50 FFAA O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 16625059 SADWRTVDQNTYSW-UHFFFAOYSA-N 369.443 2.709 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)cc4)CC3)nn2)n1 169777359 VYJPYSVQJGUAEE-UHFFFAOYSA-N 366.425 2.676 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(F)cc2F)CC12CCN(CC1CC1)CC2 1857693135 JOFLSWQFYXITPB-QGZVFWFLSA-N 364.436 2.973 0 50 FFAA CC[C@@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)n1cccn1 1857711292 RPOZZVLWLKTXCF-SFHVURJKSA-N 363.465 2.862 0 50 FFAA CN1Cc2cc(-c3ccc4c(c3)OC[C@@H](N3CCCC3)[C@@H]4O)ccc2C1=O 1875240546 AWAMZQGLDVMFFT-TZIWHRDSSA-N 364.445 2.829 0 50 FFAA Fc1ccc(OCCN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1875247092 KBRJZBZWNWPMSW-TZIWHRDSSA-N 356.441 2.962 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@H]3C[C@@H]3c3ccccc3)cnn2c1 212872691 FFEMYYYYBQYYEF-MJGOQNOKSA-N 363.465 2.857 0 50 FFAA O=C(Cc1cccnc1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 219437830 NEBNQMLVMRLTOF-NQIIRXRSSA-N 361.489 2.714 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)O)c1ccc(C)cc1 236717189 OLKCOEHOGZWTKF-ZWKOTPCHSA-N 360.454 2.808 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)N1CCC(Oc2ncccc2F)CC1 333255067 FBGIEIWTLUQJIT-UHFFFAOYSA-N 371.478 2.573 0 50 FFAA CCOC(=O)c1cnc2ccc(Br)cc2c1NC[C@@H](C)O 19530867 SQDPYBOZFFISRN-SECBINFHSA-N 353.216 2.967 0 50 FFAA Cc1c(C(=O)N2CCNC[C@@H]2c2nccn2C)oc2ccc(Cl)cc12 261777806 RZYMZZWFNFMFPK-CQSZACIVSA-N 358.829 2.915 0 50 FFAA O=C1[C@@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)CCN1c1ccc(F)cc1 264995269 CJMQWDIMZBSWMF-IRXDYDNUSA-N 356.401 2.656 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1cccnc1 1875254721 FFQNWDBWQZXWFD-KDOFPFPSSA-N 355.486 2.664 0 50 FFAA O=C(c1cc2cc(F)c(F)cc2[nH]1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N1C2 1875327209 PAHVAUQBWIRDHI-SRBZOADZSA-N 373.403 2.919 0 50 FFAA COC(=O)[C@@H]1[C@H](C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)C1(C)C 1875316772 GCINFJZFWAYZGI-SJORKVTESA-N 368.433 2.589 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(O)c1F)C2)c1ccco1 1875336410 ZKIQSROHWBIKON-MRVWCRGKSA-N 358.369 2.547 0 50 FFAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC[C@@]2(c3cccnc3)C[C@H]2C1 1875329347 RLXVEKSVGKUFHC-ZWLQIFSPSA-N 361.445 2.749 0 50 FFAA CCc1oc2ccccc2c1CN1CCC[C@](O)(Cc2nncn2C)C1 886088939 RNEYRAJUAFLDMG-FQEVSTJZSA-N 354.454 2.693 0 50 FFAA COCc1c(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)oc2ccccc12 888078749 SWPALGKPGXJTRK-OAHLLOKOSA-N 352.394 2.929 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnn(-c3ccccc3C)c2)C1 888077687 PJLMXZSRRNWNMS-NVXWUHKLSA-N 351.410 2.506 0 50 FFAA COc1cccc(Cc2noc(CCc3ccc4c(n3)NCCC4)n2)n1 2325787260 OAGURVNNVHKJBM-UHFFFAOYSA-N 351.410 2.602 0 50 FFAA COc1ccc([C@@](C)(NC(=O)c2c(C)nn3c2CCC[C@@H]3C)C(=O)O)cc1 2325798957 LKNXWYIOIBIQFP-FKIZINRSSA-N 371.437 2.827 0 50 FFAA CN(CC(F)(F)F)C1CCN(C(=O)Cc2cc(F)cc(F)c2)CC1 2325811329 PWTWOSANKSFMTF-UHFFFAOYSA-N 350.331 2.992 0 50 FFAA C[C@H]1C[C@@H](COC(=O)c2cccc(CN=c3ccnc[nH]3)c2)C[C@@H](C)O1 2325855154 KEQUSQLLOJYFMB-QLPKVWCKSA-N 355.438 2.871 0 50 FFAA CC(=O)N(C)CC1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 2325872300 QYECNKNKOMVSCY-UHFFFAOYSA-N 354.454 2.716 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)CC1 2325885220 KICCBNOWTCCAPD-INIZCTEOSA-N 358.486 2.664 0 50 FFAA CCOc1ccc(-c2cc(C)n3nc(C(=O)N4CCOCC4)cc3n2)cc1 862862 QPQDXAXZPDCGRW-UHFFFAOYSA-N 366.421 2.576 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](C)C3)C2)cc1 953279 GYROYZVYGSDGNF-SJORKVTESA-N 364.511 2.654 0 50 FFAA O=C1C[C@@H](c2ccc(N3CCOCC3)cc2)c2cc3c(cc2N1)OCO3 1059266 RRQXJOOQUXLEHC-HNNXBMFYSA-N 352.390 2.726 0 50 FFAA Cc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1C 1146675 KAEJQFILJFJYNW-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COc1ccc(OCC(=O)NC(=S)Nc2cc(C)cc(C)c2O)cc1 1182634 HIDNWRPWESRBII-UHFFFAOYSA-N 360.435 2.910 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356144916 RTSUCNLLOXIZNB-FQEVSTJZSA-N 354.454 2.719 0 50 FFAA COc1ccc(-c2c(NC(=O)COC[C@H]3CCCCO3)n[nH]c2C)cc1 2356165371 FKROXXDBFHLFCK-MRXNPFEDSA-N 359.426 2.918 0 50 FFAA COCCCNC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 2832469 KFKISFNHCXYNDI-UHFFFAOYSA-N 356.344 2.847 0 50 FFAA Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1 2869473 FGCHQUQUIASDKG-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA CN(CCc1ccccn1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 6007525 XJAFCMGMTBBHAW-UHFFFAOYSA-N 367.430 2.664 0 50 FFAA O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680574 FNEHGVFXSNMFLK-UHFFFAOYSA-N 354.428 2.924 0 50 FFAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)[C@H]1CNC(=O)C1 55227862 HEFYFSDZDGYZQK-GOSISDBHSA-N 352.434 2.669 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c(F)c1 104341756 YRNMJVFPGRBMKK-QGZVFWFLSA-N 362.445 2.805 0 50 FFAA CN(C(=O)c1ccc(C(N)=O)cc1)C1CCN(Cc2ccccc2)CC1 113208074 NVKGPBKRSRQAAN-UHFFFAOYSA-N 351.450 2.522 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)Cc1cnc2c(C)cccn12 55252756 CPSLQHZQFRLTSH-UHFFFAOYSA-N 355.442 2.815 0 50 FFAA CC(C)n1cnnc1[C@H](C)NC(=O)CCCc1nc(-c2ccco2)no1 65527753 WFFOENRHIWIJMS-LBPRGKRZSA-N 358.402 2.702 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cc(COc2cccc3cnccc23)on1 67772402 MYSWOQYDEHGTIK-AWEZNQCLSA-N 353.378 2.711 0 50 FFAA Cc1ccccc1-c1cnc(N)c(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1 63846671 JTQBZNCKJUUFRD-CVEARBPZSA-N 373.460 2.820 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1 65362851 DCBIARWVLGDWIV-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA O=C1CCCCN1CC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67803929 OVFBAWRESQLHBE-VQTJNVASSA-N 366.461 2.529 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)C[C@H]2CCCO2)co1 67955467 AXYXVZPHSFOFHO-CQSZACIVSA-N 360.410 2.822 0 50 FFAA COc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)CCCC2)cc1 72457663 JURRSJRLFOYBSL-DOTOQJQBSA-N 356.466 2.586 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cn2cccnc2n1 219438134 FLVURLLIQIBKDC-KJXMEXGPSA-N 373.416 2.520 0 50 FFAA O=C(O)[C@]12CCCN(Cc3ccoc3)[C@@H]1CCN(Cc1cccc(O)c1)C2 72421448 JBTJIVBVSLVFEZ-CTNGQTDRSA-N 370.449 2.927 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(N2CCCCCC2)nc1 171836752 IDIVDRNJXNJUCU-GOSISDBHSA-N 372.513 2.935 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3cccc(C)c3nc1C)C2 215990029 UQLXIBNAWFJVPW-FUHWJXTLSA-N 351.450 2.935 0 50 FFAA O=C1[C@@H](N2CCC(Oc3cnccn3)CC2)CCN1c1cccc(Cl)c1 330162409 AHKMRWJHVKTTIO-KRWDZBQOSA-N 372.856 2.779 0 50 FFAA C[C@@H](Sc1ccccn1)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216409171 APAOPBPNQIMWRK-CYBMUJFWSA-N 365.462 2.932 0 50 FFAA O=C(O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 238106176 OWFMURIDSCPIQA-UHFFFAOYSA-N 357.381 2.889 0 50 FFAA COc1ccc(OC)c(-c2nc(CN3[C@H]4CC[C@@H]3CC(=O)NC4)c(C)o2)c1 71738405 AKXVDZOGASYBIZ-KGLIPLIRSA-N 371.437 2.520 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C)c2nc(N)sc2c1 77425932 SKYCHRWJSAWRDP-CYBMUJFWSA-N 360.483 2.660 0 50 FFAA Cc1ccc(-c2cc(CN3CC4(CCNCC4)C[C@@H]3C(=O)O)on2)cc1 72169502 KXCUKNRZDRRATI-GOSISDBHSA-N 355.438 2.679 0 50 FFAA O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1C[C@@H](O)C2(CC2)C1 368746411 PAPCUIUIVGCXOW-CYBMUJFWSA-N 353.191 2.666 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCN2CCCC2=O)cc1 77504703 AJTCDVYNSUEKLW-LJQANCHMSA-N 357.498 2.814 0 50 FFAA Cc1nccnc1N1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 443059811 DKOVLGUPDILSJU-UHFFFAOYSA-N 352.360 2.848 0 50 FFAA CCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc1 77453330 IVQUWJCDSHFJSL-OAQYLSRUSA-N 359.514 2.885 0 50 FFAA C[C@H]1CS(=O)(=O)CCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 172560622 SNFRABPIFKLSJH-JTQLQIEISA-N 370.883 2.723 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)CCOc1ccccc1C 284765236 PBWLXFOHHSZUER-SJLPKXTDSA-N 357.454 2.826 0 50 FFAA O[C@]1(c2nc(C3CC3)no2)CCN(Cc2cc(-c3ccccc3)on2)C1 286200184 PXUXFLNRAJHXCM-LJQANCHMSA-N 352.394 2.696 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)[C@H](C)c3cc4ccccc4o3)CCO2)c1 176367550 XEANSOBRDUSBOW-NVXWUHKLSA-N 353.422 2.969 0 50 FFAA Cc1nc(O)cc(C2CCN(c3ccc(Cn4ccnc4)cn3)CC2)n1 82120530 AYNMMWJMQCCQNQ-UHFFFAOYSA-N 350.426 2.514 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@H](c3ccc4c(c3)OCO4)N(C)C)C2)c1 223075412 BUZOCFGCLKWDGH-FQEVSTJZSA-N 368.433 2.616 0 50 FFAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2cncn2C)c1 426621752 QJKKUDKWAUWYSD-HNNXBMFYSA-N 368.481 2.806 0 50 FFAA O=C(c1ccncc1F)N1CCC(c2nccn2Cc2cccnc2)CC1 95499920 YTIBMTGTEWYHRH-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA Cc1ccc2c(C(=O)N(C)CCn3ccnc3)cc(-c3cnn(C)c3)nc2c1 23250330 SRJKHVVJLUZUEA-UHFFFAOYSA-N 374.448 2.912 0 50 FFAA O=C(C1CCN(c2nc3ccccc3cc2CO)CC1)N1CCCCC1 95365417 CMVCZLBLCCBPNX-UHFFFAOYSA-N 353.466 2.956 0 50 FFAA O=C(COc1cccc(C(F)(F)F)n1)Nc1ccc2c(c1)OCCO2 179946265 NQEKROHAJKOYKU-UHFFFAOYSA-N 354.284 2.889 0 50 FFAA COc1nc2c(cc1C(=O)N(C)Cc1ccc3nsnc3c1)CCC2 91574690 KGMPLHXTYJCKSH-UHFFFAOYSA-N 354.435 2.856 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 95508330 LPOLMIMZJQROPW-KRWDZBQOSA-N 368.481 2.759 0 50 FFAA CS(=O)(=O)Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 299468620 UPTFMLNYSMHEAC-IBGZPJMESA-N 372.490 2.834 0 50 FFAA CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 245325207 CZMIHNXBPHHDAS-DRMAHVMPSA-N 361.825 2.826 0 50 FFAA Cn1nnc2ccc(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)cc21 183340139 IOJQKZHTRCPARK-GOSISDBHSA-N 363.465 2.753 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)C1 534661261 VWPYZVMVHJQVAS-HXUWFJFHSA-N 365.477 2.913 0 50 FFAA CC1CCN(CCNC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)CC1 534647934 LRGRZSCQFUQZJT-LJQANCHMSA-N 360.502 2.504 0 50 FFAA CCc1nnc(CNC(=O)c2ccc(-c3c(COC)n[nH]c3C)cc2)s1 534579685 JWRWAJHKFFWMHR-UHFFFAOYSA-N 371.466 2.875 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCCc3nc4ccc(F)cc4[nH]3)C2)n1 534582531 FDCIHIVWIFSZDL-HNNXBMFYSA-N 370.432 2.714 0 50 FFAA Cc1noc(C)c1CN1CC[C@@H](Nc2ccc(C(F)(F)F)cn2)[C@H](O)C1 299776373 ASWGJQIMOANQBQ-HUUCEWRRSA-N 370.375 2.753 0 50 FFAA O=C(NCC12CCCN1CCC2)Nc1ccc(OC[C@@H]2CCCO2)cc1 299782696 JJJURAHAURXKQF-SFHVURJKSA-N 359.470 2.994 0 50 FFAA CCCCSCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)N(C)C2)oc1C 299766711 KREYDFYUKKZVKQ-KGLIPLIRSA-N 354.472 2.508 0 50 FFAA O=C(Nc1ccc2[nH]c(=O)oc2c1)N(Cc1ccncc1)C[C@@H]1CCCO1 299762470 XHMRUBLFIJPBTK-HNNXBMFYSA-N 368.393 2.729 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1 299763960 ZLMUTMBWMUOKPE-SFHVURJKSA-N 369.469 2.525 0 50 FFAA Cn1ncc(-c2ccccc2)c1NC(=O)N1CCC[C@@H]1Cn1cccn1 299758723 OTJMEXNAXIKDCL-MRXNPFEDSA-N 350.426 2.980 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c(Cl)c1 299789689 ABLVXUARTIVHKF-WMZOPIPTSA-N 365.905 2.778 0 50 FFAA COC1CCN(C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)CC1 584894796 QAZXVTHASRANSM-UHFFFAOYSA-N 367.440 2.750 0 50 FFAA CN1CCCN(CC(=O)NCC[C@@H](c2ccccc2)c2ccco2)CC1 670470843 XHZXXEWGYFKXRS-IBGZPJMESA-N 355.482 2.555 0 50 FFAA C[C@H](NC(=O)/C=C/c1cc(CO)cs1)c1nc(-c2ccccn2)no1 952982051 VXMJKCPTPIHOCN-QRGHLMKCSA-N 356.407 2.576 0 50 FFAA Cc1ccc(OCc2occc2C(=O)N(CCO)Cc2nccn2C)cc1 952982995 UCUNZQCDVQXQOR-UHFFFAOYSA-N 369.421 2.535 0 50 FFAA CNC(=O)Cc1noc(-c2cc3c(C)nn(Cc4ccccc4)c3s2)n1 163194832 WBBMVFAKGYUAFB-UHFFFAOYSA-N 367.434 2.793 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C1CCN(C(=O)c2ccncc2)CC1 952861486 BOFYVMAGOAWTDR-UHFFFAOYSA-N 355.486 2.591 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3CCOC[C@@H]3OCC3CC3)cc2nc1C 1565512202 CSQFYFWACDXFKN-HKUYNNGSSA-N 355.438 2.561 0 50 FFAA O=C1Cc2cc(CCCC(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)ccc2N1 268958261 ZKQFHPKTPBHBIV-OLMNPRSZSA-N 370.449 2.748 0 50 FFAA Cc1ccnc(Oc2ccc(NC(=O)N[C@H]3CCc4[nH]ncc4C3)cc2)n1 164226256 ZTQIXAZEQCRPFE-HNNXBMFYSA-N 364.409 2.979 0 50 FFAA CC(=O)N1CCN(C(=O)CN[C@@H](C)c2ccc(Cl)c3ccccc23)CC1 185385566 YZZOIBMVWDYGID-AWEZNQCLSA-N 373.884 2.835 0 50 FFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCO[C@@]2(CCOC2)C1 185355996 LMFWDAUZZMBIOH-INIZCTEOSA-N 373.375 2.795 0 50 FFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@@H](O)C=C[C@]31CCN(C)C2 169145399 CWBPWEDEZGRSDD-NCAQKEMTSA-N 366.255 2.613 0 50 FFAA O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1CCc2ccc(F)cc21 195108574 XJBAOPFHSNAPNU-MRXNPFEDSA-N 354.381 2.725 0 50 FFAA Cn1ccnc1CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 1506407069 IKQAIGGQYRDEQV-UHFFFAOYSA-N 353.388 2.965 0 50 FFAA Cc1ccsc1[C@@H](CNC1CCN(C(=O)c2ccncc2)CC1)N(C)C 1506399438 NPVZQAKQRRGHKO-GOSISDBHSA-N 372.538 2.949 0 50 FFAA COc1ccc([C@]2(C(=O)N(CCN(C)C)Cc3cnc[nH]3)CC2(C)C)cc1 1704307157 UXTCWFUGLMCDCT-NRFANRHFSA-N 370.497 2.676 0 50 FFAA CC[C@]1(CCC(=O)N2CCCOc3c(cccc3OC)C2)CCC(=O)N1 12213611 MTCZVSUMCLYTLN-HXUWFJFHSA-N 360.454 2.645 0 50 FFAA C/C=C/Cn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C 12532116 SZMSXONHBHWGLI-SNAWJCMRSA-N 356.451 2.600 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc2[nH]ccc2c1 12582542 KETUVKPPPSQVDC-QGZVFWFLSA-N 351.381 2.838 0 50 FFAA CC(C)n1c(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)nc2ccccc21 1857692397 CIIZGAJSQHGIHY-OAHLLOKOSA-N 357.454 2.930 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)o1 1857700419 HJQFIGUTZAHGBR-UHFFFAOYSA-N 364.449 2.972 0 50 FFAA CC(=O)N1C[C@H]2NC(=O)CCc3ccc(O)c(c3)Oc3cccc(c3)[C@@H]2C1 1875240263 ORJSQJNIIHDIRS-ZWKOTPCHSA-N 366.417 2.561 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(N2CCCCC2=O)CC1 120495359 PYEJAYAZKOIQNT-IBGZPJMESA-N 373.497 2.889 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3COc4ccccc4C[C@]3(CO)C2)s1 253380380 AISCBEZIAHBYDE-FOIQADDNSA-N 371.458 2.637 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1C[C@@H](C)N[C@H](C)C1 154262049 FZHWTWRPDKVBTB-VXGBXAGGSA-N 355.276 2.599 0 50 FFAA O=C(Cn1ncc2ccccc21)N1CCNC[C@@H]1c1ccccc1Cl 262071858 WYABVMWBJDPNCP-GOSISDBHSA-N 354.841 2.863 0 50 FFAA Cn1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c(-c2ccccc2Cl)n1 375397274 JLROZLWSAJOYRR-WBVHZDCISA-N 372.856 2.528 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1ccc(C(=O)O)cc1F)C[C@@H]2O 846233761 XRCZOYVPLAXFRJ-HNNXBMFYSA-N 361.369 2.590 0 50 FFAA C=CC(=O)NCC[C@@H]1CCCCN1C(=O)Cc1ccc2ncsc2c1 1875386413 PRZDDDMVCICQCT-HNNXBMFYSA-N 357.479 2.912 0 50 FFAA Cc1ccc(-c2cnc(CNC(=O)c3ncoc3[C@@H]3[C@H]4CN[C@H]3C4)o2)cc1 1875394165 ZSPGJAOMXUTSHM-JKIFEVAISA-N 364.405 2.643 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)c(F)cc1F 886039449 HCVSNMNWNHYMAV-UGSOOPFHSA-N 359.376 2.618 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N=c1[nH][nH]c2c(C(F)(F)F)cccc12 2100542945 KJXZBBBGOXUTLO-NSHDSACASA-N 370.331 2.563 0 50 FFAA CNCCc1ccccc1C(=O)N1CCC(c2ccccc2CO)CC1 2325795487 ILCMSRMACIJQQF-UHFFFAOYSA-N 352.478 2.961 0 50 FFAA CC1(C)C[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CN1Cc1ccccc1 2325807542 BDPIMPHPVLYFFO-SFHVURJKSA-N 367.497 2.811 0 50 FFAA O=C(Cc1cc2ccccc2c(O)n1)N[C@H]1CCc2sccc2C1=O 2325850519 AGOWUAPZXYYWEJ-HNNXBMFYSA-N 352.415 2.858 0 50 FFAA COc1ccc(S(=O)(=O)NCCc2ccc3c(c2)C[C@H](C)O3)cc1C 2325870434 XYOLGFZPNNRZOL-AWEZNQCLSA-N 361.463 2.848 0 50 FFAA CNCc1cn(CC2CCN(c3ncnc4sc(C)c(C)c34)CC2)nn1 20452524 ZYJHHHKQAOYDTJ-UHFFFAOYSA-N 371.514 2.536 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)c(C)c1 861996 XDQWNQIDMQCBQJ-YJBOKZPZSA-N 354.406 2.876 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1OC 881477 DTDDPLZRALVCGM-UHFFFAOYSA-N 351.815 2.879 0 50 FFAA Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)c1 991970 CZWDUXUZKRKEJX-HNNXBMFYSA-N 355.365 2.913 0 50 FFAA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1cccc(F)c1 1075464 LWBAYCIZYFESGL-UHFFFAOYSA-N 357.790 2.501 0 50 FFAA CCc1ccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1 1482950 IRNJSRAGRIZIHD-KRWDZBQOSA-N 370.430 2.800 0 50 FFAA investigational CCc1ccccc1N(CC(=O)NCc1ccccc1C)S(C)(=O)=O 1174130 CYEOBTANBGTBOM-UHFFFAOYSA-N 360.479 2.640 0 50 FFAA Cc1ccc2c(-c3ccc(C(=O)NCCOCCO)cc3)cccc2n1 2356148243 NHDSNNJLBVKWCG-UHFFFAOYSA-N 350.418 2.949 0 50 FFAA CCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 2865969 NQERRKZTKHOXTE-UHFFFAOYSA-N 362.451 2.701 0 50 FFAA O=C(/C=C/c1ccccc1)N1CCc2nc(Cc3ccccc3)nn2CC1 2356169681 VLKSNORESYZGLL-VAWYXSNFSA-N 358.445 2.967 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)cc2)cc1 4839992 RXAWEFJKCTZGFC-UHFFFAOYSA-N 362.451 2.565 0 50 FFAA CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 111191053 KLXZZZQFFWUXCZ-HXUWFJFHSA-N 351.450 2.749 0 50 FFAA COc1cccc(-c2noc(-c3ccc(NC[C@@H](C)O)nc3)n2)c1OC 20536009 JLMFHKFTLSUZFM-LLVKDONJSA-N 356.382 2.609 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CO[C@H]1CCCC[C@@H]1CC)CC2 248708836 IMYVQZWZGLSUOA-XLAORIBOSA-N 353.503 2.750 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)NCc1noc(-c2cccs2)n1 67881577 XITPMLORMVETHC-UHFFFAOYSA-N 357.439 2.649 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1Cl 10111253 POHYZSDTUUNLHQ-UHFFFAOYSA-N 360.907 2.893 0 50 FFAA CCc1nnc(CN(C)Cc2cccc(C(=O)Nc3nccs3)c2)o1 67880060 QTBAHFYEQSZMTF-UHFFFAOYSA-N 357.439 2.973 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c1 67621187 OIECNYAWZYIWHV-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1ccc3nonc3c1)C2 67956504 USVRALRTHRFSFW-CYBMUJFWSA-N 369.425 2.517 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)c1cccc(CN(C)Cc2ccno2)c1 67788456 WWCGUWDRJGWXNI-UHFFFAOYSA-N 353.426 2.909 0 50 FFAA CCCc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc(C)n1 67458118 HQRXVQSQQWZQFG-UHFFFAOYSA-N 350.470 2.936 0 50 FFAA COc1cc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)N4)c(C)o2)cc2c1OCO2 67654788 YAGSFQBYFFBGAJ-CABCVRRESA-N 371.437 2.714 0 50 FFAA CC(C)Cc1cc(C(=O)Nc2cccc(OCCN3CCOCC3)c2)n[nH]1 409413385 AHISFQXVJLKUOZ-UHFFFAOYSA-N 372.469 2.572 0 50 FFAA O=C(O)[C@H]1CN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CCO1 328595280 PZWFEKKJSPBYNS-YVGNARHYSA-N 361.394 2.740 0 50 FFAA CCn1c(-c2ccccc2)nn(CC(=O)N[C@H](C)C2=CCCCC2)c1=O 77438115 FMOBIQICTOSWHU-OAHLLOKOSA-N 354.454 2.737 0 50 FFAA COc1ccc(CCC(=O)N2CCC(c3nnc(O)o3)CC2)cc1Cl 425322062 NFSGGEJHJRKMNJ-UHFFFAOYSA-N 365.817 2.776 0 50 FFAA O=C(Cc1noc2ccccc12)N1CCC2(CC1)c1ccccc1C[C@H]2O 72151238 GHHWVZGIOOOHNS-HXUWFJFHSA-N 362.429 2.848 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 129522877 YYOAJTCKWULKGG-FUNVUKJBSA-N 372.419 2.652 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)CCN3c4ccccc4CC[C@@H]3C)CCO2)no1 329546664 OJSNJMLIZMIZFZ-KSSFIOAISA-N 370.453 2.509 0 50 FFAA CN1C(=O)C[C@H](C(=O)N=c2cc[nH]cc2)[C@H]1c1ccc(Cl)c(Cl)c1 478747901 QRZGKHSKCFFXAJ-BLLLJJGKSA-N 364.232 2.968 0 50 FFAA Cc1nccn1C[C@H]1CCCN(Cc2cnc(N3CCCCC3)nc2)C1 72154993 MZSQVBOWBHSJMJ-SFHVURJKSA-N 354.502 2.884 0 50 FFAA C[C@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 152227234 AZCVVIBZNLSGRA-HUUCEWRRSA-N 359.499 2.780 0 50 FFAA CO[C@@H]1CCC[C@@H](CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)C1 330133873 RMDRAQKXJXVWCO-BPQIPLTHSA-N 371.543 2.930 0 50 FFAA Cc1noc(-c2ccc(N[C@@H]3CCCN(Cc4ccccn4)C3)nc2)n1 72432783 RQIATRGJUFYTDL-QGZVFWFLSA-N 350.426 2.912 0 50 FFAA Cn1ncc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1-c1ccccc1 362485771 LOFXKDJFBACENN-INIZCTEOSA-N 360.417 2.943 0 50 FFAA CNc1nc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)ncc1F 77490093 XEMCLASMUUDRGR-LJQANCHMSA-N 361.465 2.809 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCN4CCC[C@@H]4C3)n2)cc1C(=O)O 72480879 IYYPMAUBMGBPLE-OAHLLOKOSA-N 368.437 2.525 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCN3CCCC[C@H]3CO)c2c1 77391863 VIRLLAVPLWATCN-KRWDZBQOSA-N 355.482 2.682 0 50 FFAA Cc1ccc2nc(CCC(=O)N3CCO[C@@H](C(F)(F)F)C3)[nH]c2c1C 71755488 SIHGBCDNTDSFJJ-CYBMUJFWSA-N 355.360 2.902 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C1CCCCCC1 39551268 WHGZTNSNEXGTBW-SFHVURJKSA-N 354.458 2.788 0 50 FFAA Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 156210099 ABNLXPWDHKLYOH-UXHICEINSA-N 366.461 2.840 0 50 FFAA O=C(Nc1nc(-c2cccc(F)c2)cs1)C1(n2cccn2)CCNCC1 261875903 DRRISLLCVHLENM-UHFFFAOYSA-N 371.441 2.863 0 50 FFAA CCCc1nc(C(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cs1 72133011 VXWYBGUNQGATGN-OAHLLOKOSA-N 369.490 2.594 0 50 FFAA C[C@H](CNC(=O)N1CC[C@@H](C)[C@H]1CO)Oc1cccc(Br)c1 334099729 PACDWVFWMMTEHY-LALPHHSUSA-N 371.275 2.629 0 50 FFAA COc1cc(CC(=O)N[C@@H](c2nccn2C)C(C)C)cc(OC)c1OC 220445117 NMAOUKGVHVIVGN-QGZVFWFLSA-N 361.442 2.502 0 50 FFAA C[C@@H]1CN(Cc2csc(-c3ccccc3)n2)C[C@H]1C(=O)N1CCOCC1 495742563 RMWQYQRHSNJNSL-CRAIPNDOSA-N 371.506 2.737 0 50 FFAA CSCc1nc(CCNC(=O)Cc2ccc3c(c2)OCO3)cs1 220251554 AJEYTDINDCIXPG-UHFFFAOYSA-N 350.465 2.636 0 50 FFAA CC(C)n1cc([C@]2(O)CCCN(Cc3cc(-c4ccco4)on3)C2)nn1 284720706 UVQIRNSJWRRKNQ-SFHVURJKSA-N 357.414 2.591 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NC[C@@H]2CCC[C@H](O)C2)CC1 174459172 KPULLBDIGSBVKN-WBVHZDCISA-N 361.486 2.514 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 263258251 FZQFTRCSVJVVMV-GOSISDBHSA-N 353.418 2.911 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)c(C)n2C 426510887 SBKUQBKQLVWGAA-YMTYPPQLSA-N 372.465 2.640 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)ccc2s1 222484577 OIOMLPIKPKRBAI-GDBMZVCRSA-N 369.446 2.966 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N(C)CCCc3nccn3C)cc2c1 426584021 MEHQYDWQQJLKBX-UHFFFAOYSA-N 355.442 2.684 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC3CCCC3)cc1)C2 82098773 KGBKGANAQUGEPN-UHFFFAOYSA-N 368.481 2.856 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)c1ncnc2sc3c(c12)CCNC3 82137042 NQTJLSPRYWERCU-GFCCVEGCSA-N 368.462 2.613 0 50 FFAA C[C@@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1ccccc1 95362782 RNGJYAPMVNVRGG-OAHLLOKOSA-N 364.449 2.901 0 50 FFAA O=C(CCC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1)N1CCCCCC1 91665731 TXJHGUABYRLPLA-FQEVSTJZSA-N 372.509 2.753 0 50 FFAA COC[C@@H](NC(=O)Nc1ccccc1-n1nc(C)cc1C)c1ccnn1C 96160263 LGLNGJJIXANQJK-MRXNPFEDSA-N 368.441 2.732 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc(CC(C)C)nn1C)C2 95524681 MMQSICFDXKNRTJ-CQSZACIVSA-N 357.454 2.608 0 50 FFAA Cc1nc(CCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)nc2c1CCC2 91725104 DJNWHSCSGAOGPS-UHFFFAOYSA-N 374.444 2.602 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 97823251 WZCRFSGEJAQTRM-DLBZAZTESA-N 352.438 2.550 0 50 FFAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C1 92061850 CEHCIFHHVFCCNH-CVEARBPZSA-N 371.456 2.520 0 50 FFAA COc1cccc(-c2cn(CC(=O)c3ccc4c(c3)OCO4)c(=N)n2C)c1 334157536 HXHSFOOLICQOLT-UHFFFAOYSA-N 365.389 2.593 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCc2cn3ccsc3n2)c1 91725194 TZWRVYCUFYCGFH-UHFFFAOYSA-N 367.434 2.767 0 50 FFAA CCCN1CCC(CC(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)CC1 95522904 SLQZSEPNWAJXSZ-UHFFFAOYSA-N 373.497 2.546 0 50 FFAA CCN1CCC[C@]2(CCN(C(=O)CCCOCc3ccccc3)C2)C1=O 92002385 IQVPHHZSNLDCKF-OAQYLSRUSA-N 358.482 2.844 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)n[nH]2)cc1 91706361 ZLSFEXSNJCUAIL-OAHLLOKOSA-N 365.437 2.834 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91943302 PPLBNXMACCVGBE-LJQANCHMSA-N 361.449 2.670 0 50 FFAA COCc1noc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)n1 179923943 SHEFKRYOKKTAHB-UHFFFAOYSA-N 366.849 2.690 0 50 FFAA CC(C)C(=O)Nc1cc(NC(=O)N[C@@H](C)Cc2cnccn2)ccc1F 96149164 OBDFCHWYCJSEJQ-LBPRGKRZSA-N 359.405 2.963 0 50 FFAA Cc1ccc(-c2nc(C3CCS(=O)(=O)CC3)n(CC(F)(F)F)n2)o1 96166100 YXBQBEUFKGCTHU-UHFFFAOYSA-N 363.361 2.701 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4nc(C(C)C)no4)C3)cc2n1 244758137 OTBSJCWDKIOOAH-AWEZNQCLSA-N 368.441 2.872 0 50 FFAA O=C(NCCc1nnc(-c2ccccc2)o1)N1CCCC[C@H]1c1cn[nH]c1 183358872 WCMWYHYBMULAEF-INIZCTEOSA-N 366.425 2.939 0 50 FFAA C[C@@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCN1CC(F)(F)F 184527566 NUEAAIZYVJBMFG-GFCCVEGCSA-N 374.411 2.884 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N[C@@H]1CNCC[C@H]1O 299797324 NJDIXWRYKRLOAH-RTBURBONSA-N 369.465 2.543 0 50 FFAA C[C@@H](NC(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1)c1cccc2ccccc12 828874080 XGDISAKUMDBWEW-BYYUCUBISA-N 354.450 2.674 0 50 FFAA O=C1COc2ccc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cc2N1 584884348 AHBZOMPWBPNMRE-INIZCTEOSA-N 352.390 2.593 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)N1CCC[C@H](c2ccncn2)C1 584899556 PKIAGUNSTOIPMH-KRWDZBQOSA-N 352.438 2.891 0 50 FFAA COc1ccc(S(=O)(=O)NCc2noc(C(C)C)n2)c2c1CCCC2 670451334 MQTBVIYOUHXSAZ-UHFFFAOYSA-N 365.455 2.559 0 50 FFAA Cn1nc(CN(c2ccc(Cl)cc2F)S(C)(=O)=O)cc1Cl 863453372 IOQKXXCRFGCPHN-UHFFFAOYSA-N 352.218 2.832 0 50 FFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@H](OCc2ccncc2)C1 268482687 JWXVFAWXGZLSDK-KRWDZBQOSA-N 370.453 2.873 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 272531655 QVNFDPXIFREYBB-HKUYNNGSSA-N 359.514 2.566 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cncc4ccccc34)CCO2)o1 275228175 AIKFZGFFKDTWHC-INIZCTEOSA-N 352.394 2.955 0 50 FFAA CCOCCN(C)Cc1ccc(Br)cc1N1CCOCC1 170608678 XRMYYRXUCUUJFQ-UHFFFAOYSA-N 357.292 2.754 0 50 FFAA Cc1ccn(CC(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c(=O)c1 194558657 LHKVYBORZMCCDB-SFHVURJKSA-N 362.433 2.918 0 50 FFAA COc1ccc(OC)c([C@@H](C(=O)O)N(C)Cc2cnc3ccccn23)c1 1506419835 YDRLDVVFTNECLC-SFHVURJKSA-N 355.394 2.609 0 50 FFAA CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1506417497 KUGMZXHEVSPADS-HNNXBMFYSA-N 352.500 2.500 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1nc(O)nc2ccccc12 1506405178 LQPZPFCNCCKMGD-UHFFFAOYSA-N 361.361 2.658 0 50 FFAA O[C@H]1CN(C2CCN(c3ccccc3F)CC2)C[C@H]1Cc1ccncc1 1529187728 ZFPJMFWAWIOIAX-UTKZUKDTSA-N 355.457 2.725 0 50 FFAA CO[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)C[C@H]1Cc1cc(C)no1 1529117938 FFPOOLCAOPRJDX-WBMJQRKESA-N 374.828 2.614 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@H](C(=O)c2ccc(OC)cc2C)C1 11879544 VEKSJJALYQCZGS-HNNXBMFYSA-N 361.438 2.768 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)CN2CCCCC2=O)C1 12194432 FUCNTJATPSEBPD-HNNXBMFYSA-N 372.513 2.916 0 50 FFAA Cc1cccc(CCNC(=O)CCc2nnc(CCc3ccccc3)o2)n1 12307954 OZZUTCKKAOXITD-UHFFFAOYSA-N 364.449 2.850 0 50 FFAA CC[C@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3OC)cnc2s1 13999787 ZSAMWDRQQLFEFA-JTQLQIEISA-N 358.423 2.925 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)N2CCC[C@H]2CO)Cc2ccccc2C1 15074484 FQEPIKCBOJFGBA-NRFANRHFSA-N 364.489 2.639 0 50 FFAA CCc1noc(-c2cccn3c(CNC(=O)c4ccccc4C)nnc23)n1 169776008 UQZQCZRSCISYFF-UHFFFAOYSA-N 362.393 2.580 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC12CCOCC2 1857694349 MHRHNQGRZGXTSI-ZDUSSCGKSA-N 357.328 2.659 0 50 FFAA Cc1nc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c2[nH]ccc2n1 1857694455 OUTPVVWRQRYTGF-FQEVSTJZSA-N 363.421 2.520 0 50 FFAA C[C@@H](C(=O)NC(C)(C)C)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857695235 AOGSYLSBZRJGHY-HNNXBMFYSA-N 354.498 2.791 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3C[C@H]4CO[C@H](C(C)C)CN4C3)cc2s1 1857729056 SRNMPVAHZNHSCG-ZOBUZTSGSA-N 359.495 2.832 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(c3ncc(Cl)cc3F)C[C@]23CC[C@H]1O3 1857737562 SMLNVAASKNOQET-YRWGSWDYSA-N 367.852 2.774 0 50 FFAA Brc1cccc([C@@H]2CCCN2Cc2nnc3n2CCOC3)c1 225493388 XENARHSPBHLOEJ-AWEZNQCLSA-N 363.259 2.908 0 50 FFAA Clc1ccccc1[C@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCO1 333282215 PQVYLOMBULBTTQ-WMLDXEAASA-N 374.872 3.299 0 50 FFAA O=c1[nH]c(-c2ccccc2CN2CCc3[nH]ncc3C2)nc2c1CCCC2 23379622 HZQOSMQRHJOBAW-UHFFFAOYSA-N 361.449 2.597 0 50 FFAA Cc1ccc2c(ccn2CCC(=O)N2CCC[C@H](COCC(=O)O)C2)c1 1875286478 VGMBDOXIYDALEQ-INIZCTEOSA-N 358.438 2.680 0 50 FFAA O=C1CC[C@@H](N2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)C(=O)N1 1875290060 NWSMFIWDTYFPPM-MJGOQNOKSA-N 359.385 2.518 0 50 FFAA Cc1ccccc1C(=O)NC[C@H]1CC[C@H](CNC(=O)c2cn[nH]c2)CC1 1875338658 GLLGIJLSUXTTNG-WKILWMFISA-N 354.454 2.684 0 50 FFAA CCn1ncc2c(C(=O)N=c3ccc(-c4ccccc4)n[nH]3)cc(C)nc21 1875330095 OLJCBJYRQYIDMR-UHFFFAOYSA-N 358.405 2.891 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2cc(Br)cc(Cl)c2C1 1875367631 YEQFCQHXIRMKCU-UHFFFAOYSA-N 371.662 2.632 0 50 FFAA CC(C)(C)[C@@H]1CC(C(=O)N2CCc3cc(O)ccc3[C@@H]2C2CC(=O)C2)=NO1 1875320895 YXZVWBCUVVWDDU-OALUTQOASA-N 370.449 2.988 0 50 FFAA Cc1sc(Cl)nc1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2C[C@@H]2C)C1 1875406397 CSHJSWWFGXLIHG-SPFNVWMYSA-N 355.891 2.870 0 50 FFAA Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccn1 888102037 VIHHHZXGGZOZBS-QAPCUYQASA-N 353.470 2.903 0 50 FFAA C[C@H](c1ccccc1)N1CCn2c(nc3cc(NS(C)(=O)=O)ccc32)C1 1079524 GLKOCNVIMGSYIJ-CQSZACIVSA-N 370.478 2.985 0 50 FFAA N[C@@H](Cc1ccccc1)c1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)cs1 2100477243 VTIHKXUKHBRFAQ-NXOAAHMSSA-N 371.506 2.761 0 50 FFAA N[C@H](CCNC(=O)N[C@H]1CCO[C@@H](c2cccnc2)C1)Cc1ccccc1 2325761976 SQHOTIWMIWCKFX-HSALFYBXSA-N 368.481 2.561 0 50 FFAA O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc2ncccc2[nH]1 2325779902 NVQBBNQTOHDVCS-UHFFFAOYSA-N 350.422 2.772 0 50 FFAA Cc1cnccc1N1CCN(C(=O)c2cnc3c(Cl)cccn23)CC1 2325790518 RRKVTYJSVRXUFM-UHFFFAOYSA-N 355.829 2.654 0 50 FFAA Cc1cccc2c1S(=O)(=O)N(Cc1ccccc1OC(F)F)C2=O 2325867943 JSCLKDVECXLSAO-UHFFFAOYSA-N 353.346 2.941 0 50 FFAA CCC(=O)NCc1cccc(CN(C)C(=O)Cc2cc(C3CC3)on2)c1 2325868046 NEJTUXZWHFRIAS-UHFFFAOYSA-N 355.438 2.779 0 50 FFAA O=C(N[C@@H](CO)[C@@H](O)c1ccc(Cl)cc1)c1ccc2ccncc2c1 2325868963 SELWIQHILGJYMI-ROUUACIJSA-N 356.809 2.713 0 50 FFAA CCOc1ccc(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 100146966 CEMDJRXKJDUJQM-STEAMIEHSA-N 355.434 2.834 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)nc1C 622615 WTJXKJGVBIDSSV-UHFFFAOYSA-N 358.375 2.987 0 50 FFAA Cc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 662133 BFZUVRKDCVWNFR-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)cc1 817096 JCUSXNRBBNWFCZ-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA CC(C)(C)n1ccc(-c2nc(-c3ccccn3)nn2C[C@@H]2COCCO2)c1 2356141980 YNVOXJAKXFKEFU-MRXNPFEDSA-N 367.453 2.979 0 50 FFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 6743474 PYCHMFKNXBFJSR-INIZCTEOSA-N 350.484 2.566 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 100839157 KFZJFHPYRFJRMO-UOVPBQLFSA-N 354.450 2.781 0 50 FFAA CCN(CC(=O)NCC1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 225670281 DURONFQWRUUTJE-INIZCTEOSA-N 353.507 2.624 0 50 FFAA Cc1ccc(N2CCCN(C(=O)C3(c4ccccc4)CCC3)CC2)nn1 112511112 GSCRPOPEKBBNML-UHFFFAOYSA-N 350.466 2.946 0 50 FFAA CCCN(Cc1ccccc1OC)C(=O)c1nc2nc(C)cc(C)n2n1 55168199 PUCPTSZNMLNNHF-UHFFFAOYSA-N 353.426 2.802 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)n[nH]2)n1 102423098 MZMDNMLGVOZUEH-BFYDXBDKSA-N 351.454 2.603 0 50 FFAA O=C(c1cscn1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55195986 DFMZEQSCAISEKN-QGZVFWFLSA-N 374.485 2.709 0 50 FFAA Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 20443039 RFCFCZAASLOFAL-UHFFFAOYSA-N 370.478 2.970 0 50 FFAA C[C@H](NC(=O)CCN1CCC(Oc2ncccn2)CC1)c1ccccc1 65469484 QVEANFIUHMFKTJ-INIZCTEOSA-N 354.454 2.587 0 50 FFAA CNc1ncccc1C(=O)NCc1cccnc1-n1cnc2ccccc21 67692424 UJFZJTPSZOYPAO-UHFFFAOYSA-N 358.405 2.787 0 50 FFAA COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(O)cc1)N(C)CC3)OCO2 409413733 GRPGMMXBVAAIPK-OAHLLOKOSA-N 355.390 2.932 0 50 FFAA biogenic CC(C)c1nc(CNC(=O)c2ccc(-c3ccccc3C(=O)O)nc2)no1 67894840 LGQDMMXYHFWDOT-UHFFFAOYSA-N 366.377 2.883 0 50 FFAA CNC(=O)c1ccc(C)c(-n2ccnc2-c2cccc(OCCO)c2)c1 67834330 YRFQILIJBFATIT-UHFFFAOYSA-N 351.406 2.578 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@H](N2CCCC2=O)C1 111058041 RCTQSMLGFSVUCY-AWEZNQCLSA-N 354.372 2.861 0 50 FFAA Cc1ccc(N[C@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)cc1C 72153518 KXHUHMGBBPBGBM-KRWDZBQOSA-N 367.497 2.731 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2=O)c1 77322337 WFHORRSPBFGIDG-MRXNPFEDSA-N 369.490 2.742 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N[C@H](C)c3cnn(C)c3)nc2)n1 39557982 NHJPPRHZGNHSKL-GFCCVEGCSA-N 370.482 2.937 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)N(C)c3ccccc31)C2 215885695 UQHDEDFTWLYGCD-MRXNPFEDSA-N 364.449 2.668 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](O)c2cccc(OC)c2)cc1 152654377 RGCHGPTXOQIQOW-GOSISDBHSA-N 367.405 2.557 0 50 FFAA CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)C[C@@]2(CCOC2)O1 330129764 DYGIIYMCZAKMPG-HXUWFJFHSA-N 365.437 2.566 0 50 FFAA COc1ccc(F)c(CN2CCC(N3CCC[C@@H](CO)C3)CC2)c1F 215547228 QUKQFNPAGCIXNG-CQSZACIVSA-N 354.441 2.642 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 215096718 QDBGGYVWLLFYSP-UHFFFAOYSA-N 371.828 2.725 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)Cc3cccc(O)c3)CC2)OC1=O 72410856 KNMKHBKZGYMNHE-HNNXBMFYSA-N 360.454 2.937 0 50 FFAA O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)[C@H]1CCn2ccnc2C1 332701003 BTWPLPMAOCJDHP-HNAYVOBHSA-N 359.857 2.617 0 50 FFAA CC1(C)CN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)C[C@H](C(F)(F)F)O1 333685876 BJDJXDJUSGFDKS-UMSGYPCISA-N 350.381 2.695 0 50 FFAA CCn1cnnc1[C@H]1CCCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 372283855 VHEZAVLAUTUWHZ-KRWDZBQOSA-N 353.470 2.587 0 50 FFAA COCc1cc(CN2CCN(Cc3ncccc3C)CC2)ccc1OC 216025527 SRVVIVJZFYLPSJ-UHFFFAOYSA-N 355.482 2.863 0 50 FFAA Cc1ccc(O)c(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)c1 72143494 WVLRAVUQENGRTK-QGZVFWFLSA-N 352.434 2.664 0 50 FFAA COc1ccc(C(=O)N2CCCN(c3ccncc3C)CC2)c(OC)c1 77287838 CHXLSOQWBAIJPE-UHFFFAOYSA-N 355.438 2.760 0 50 FFAA COCc1nc(C)c(C(=O)NS(=O)(=O)Cc2ccccc2Cl)s1 132799345 JMSBUJJZOSJFFK-UHFFFAOYSA-N 374.871 2.511 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 220702898 AIZRHBWICMGMDJ-HZMVEIRTSA-N 371.437 2.640 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)CC(=O)N2 18086015 DEVWZAYGTSUGHO-SECBINFHSA-N 366.240 2.728 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCC[C@H](OCc2cccnc2)C1 221165761 FAETWKKCGBFHTL-INIZCTEOSA-N 354.406 2.674 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](c3ccccc3)[C@H]1C)C2=O 175754267 QBSRXQUBZRMWMZ-NVXWUHKLSA-N 362.429 2.996 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)NC1CCN(C(C)=O)CC1 426484951 ZKESGJYAECQSHY-UHFFFAOYSA-N 367.877 2.509 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 426436571 OMECXTCBXILYTG-OAQYLSRUSA-N 356.466 2.682 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)C2 92028199 USWASZUDFJDJAV-OAHLLOKOSA-N 367.449 2.540 0 50 FFAA Cc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 91849405 LSIBMRPBVFKXMU-SFHVURJKSA-N 363.461 2.930 0 50 FFAA O=C(C1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1)N1CCCCC1 91645315 QUYDLSLLSUYJAD-UHFFFAOYSA-N 371.456 2.892 0 50 FFAA CCCCCC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 95358218 LKUIVBPLKQJOQB-MRXNPFEDSA-N 358.490 2.655 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239165268 NUKBSJPEHDPMKX-UQBFBZJBSA-N 370.836 2.640 0 50 FFAA Cc1ccc([C@@H](NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C 97675281 KPMIJEBNRKXZLR-OAQYLSRUSA-N 367.493 2.608 0 50 FFAA CN(Cc1ncc[nH]1)Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97213021 AGDVQGFWLIGBPH-UHFFFAOYSA-N 352.394 2.567 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)c(Cl)c1)C2 91656595 MXJUXOYCTBTFAC-UONOGXRCSA-N 352.837 2.881 0 50 FFAA O=C(OCc1ccccc1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 92019420 LYBOKHZYGDFYHH-OAQYLSRUSA-N 372.465 2.817 0 50 FFAA COc1nc2c(cc1C(=O)NCc1c[nH]nc1-c1cccs1)CCC2 91440686 DNFKUKFQQKUZBF-UHFFFAOYSA-N 354.435 2.961 0 50 FFAA O=C(CN1CCCCCC1)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91416595 TXOGAMAICBJINI-OAQYLSRUSA-N 361.530 2.646 0 50 FFAA CCc1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)nc1 91747060 YQDLEIAFVDVNDY-KRWDZBQOSA-N 353.422 2.737 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)o1 91574775 FDHFTTWCRJXGCX-HNNXBMFYSA-N 366.421 2.948 0 50 FFAA CC[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)C1 243892617 AJSIEHLMUSCGDN-ULMHFPJVSA-N 352.228 2.984 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 252536530 IURWRFFALMXWQE-VPWXQRGCSA-N 362.445 2.547 0 50 FFAA CCCCNC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263618936 WFKZGXXPPIRASE-OAHLLOKOSA-N 355.486 2.741 0 50 FFAA Cc1nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n(C)c1C 299768921 NLSSZZIZGOEMHX-OTWHNJEPSA-N 352.482 2.879 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)CC1 827754830 QDRFZWSMTKBTAT-UHFFFAOYSA-N 359.470 2.720 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)c1C 828599278 GKWSFRXJFDRGPX-IBGZPJMESA-N 355.438 2.815 0 50 FFAA CN(CCc1ccccn1)C(=O)NC1CCN(C2CCSCC2)CC1 584903008 WTNNTFTWPOCVMK-UHFFFAOYSA-N 362.543 2.626 0 50 FFAA Cc1ccccc1[C@H](CNC(=O)c1cc(CC(C)C)nc(N)n1)N(C)C 952866516 ALCZIDUSEACOCM-SFHVURJKSA-N 355.486 2.598 0 50 FFAA CN1CCC(C)(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 272520562 HUXWPJGHJPDMAI-OAHLLOKOSA-N 363.527 2.591 0 50 FFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 269652879 DQLFIQRNIYYSOX-IAGOWNOFSA-N 369.490 2.608 0 50 FFAA CCc1csc([C@@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C2)n1 275453320 GXBFUYUJUVFNNL-OLZOCXBDSA-N 360.483 2.952 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)NS(=O)(=O)CC1CCOCC1 170646110 KXBPGVFYIZWYSV-UHFFFAOYSA-N 372.512 2.595 0 50 FFAA Nc1ccc(O)cc1C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 1529180927 MWQNENSZAFMYJO-QGZVFWFLSA-N 356.422 2.675 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 1529178826 PZTHEFMFOZDSOG-ZDUSSCGKSA-N 364.496 2.710 0 50 FFAA COc1cc2c(cc1CN(C)[C@@H]1C[C@@H]3CC(=O)N(C)C[C@@H]3C1)OCCCO2 1704340465 IRDUFUDEPRUHAP-HLLBOEOZSA-N 374.481 2.545 0 50 FFAA COc1cccc(CCC(=O)N2CCCN(Cc3cncs3)CC2)c1 1772710490 RTWKRPZACIRNIF-UHFFFAOYSA-N 359.495 2.819 0 50 FFAA COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 11771714 CFYFOCZKRPCLDS-AWEZNQCLSA-N 362.426 2.565 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13735878 LBLGRNQVMCDVAH-UHFFFAOYSA-N 363.417 2.775 0 50 FFAA O=C1C[C@H](N2CCCCCC2)C(=O)N1c1ccc(Br)cc1 18004916 NAQFMZBTOYFBIK-AWEZNQCLSA-N 351.244 2.957 0 50 FFAA CCCS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19842786 XAJISTAXNYCZOL-UHFFFAOYSA-N 350.406 2.563 0 50 FFAA N[C@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C[C@@H]1c1ccccc1F 1857530712 GISYWDIZRBSOAP-QBIMZIAESA-N 374.843 2.984 0 50 FFAA Cc1ccccc1CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2nsnc2C)C1 1857667506 UWRBNVQKPYSRJJ-JKSUJKDBSA-N 372.494 2.555 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1ccc(OC)c(OC)c1 1857670540 SVEFTNGRFTWIPE-JNAXZKDPSA-N 361.438 2.881 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)Cc1ccccc1O)CC2 1857701135 QGMPRPKHUUANMK-UHFFFAOYSA-N 361.445 2.963 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3 1875248921 YFWCVPWOOZNKPL-LXHQRSRJSA-N 355.482 2.928 0 50 FFAA Cc1ccc(F)c(C(=O)Nc2ccn(CCN(C)C)n2)c1Br 225589331 BJYYFBJQICQIPY-UHFFFAOYSA-N 369.238 2.907 0 50 FFAA Cc1ccccc1[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)[C@H](C)CO1 330052737 PNNPWFKLUQBNDA-LMMKCTJWSA-N 368.481 3.342 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 237130759 IHHWJDHUHXPSAB-RYUDHWBXSA-N 359.253 2.572 0 50 FFAA COc1cccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 128675333 HUAIDBAZFXNXIF-HNNXBMFYSA-N 365.838 2.949 0 50 FFAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2ccc(Br)cc2C1 765293983 QRQJLVHBDHHDBO-MEDUHNTESA-N 364.287 2.957 0 50 FFAA Cn1ncc(C2CCC2)c1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 829263030 IGRWKBYKJXWOTO-KRWDZBQOSA-N 367.371 2.868 0 50 FFAA COc1ccc(C)cc1CNC(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 1875255486 OFRFXHMVYSSNMA-KRWDZBQOSA-N 373.497 2.938 0 50 FFAA COC[C@@]1(C(=O)OC)CCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 1875265671 PBOFUWPAWFHAPW-HXUWFJFHSA-N 356.422 2.503 0 50 FFAA CO[C@]1(CN)C[C@H](C(=O)N[C@@H](c2cccnc2)c2cc(C)cc(C)c2)C1 2325778986 YXXQCXWJEOSQHU-IRFCIJBXSA-N 353.466 2.658 0 50 FFAA Cc1cccc(C[C@@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1 838345 XXDXEQIMGGQNKH-QGZVFWFLSA-N 351.402 2.884 0 50 FFAA COC(=O)c1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)cc1 1068560 UWNZPTUIJSXBCF-ZDUSSCGKSA-N 371.389 2.973 0 50 FFAA CC1=CC2(CCN(C(=O)c3cnc(-c4ccccn4)nc3)CC2)OCC1 2356154504 YFPKGCHICXBZEH-UHFFFAOYSA-N 350.422 2.880 0 50 FFAA CCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 2999824 SXRYUZWAAPYFJG-UHFFFAOYSA-N 360.479 2.986 0 50 FFAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 4821000 IXRMEBQJFZSDEN-UHFFFAOYSA-N 359.363 2.847 0 50 FFAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)c(OC)cc1C 4918451 NGIPVUBNTRAGLV-QGZVFWFLSA-N 361.511 2.973 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6742626 XIVKBHMAJIFYJK-TUNPWDSISA-N 370.493 2.510 0 50 FFAA COC(=O)c1ccnc(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1 114443663 NKEVHEAZYNMTKL-UHFFFAOYSA-N 356.769 2.960 0 50 FFAA COC(=O)c1cc(OC)nc(N(C)CCCN(C)C(=O)OC(C)(C)C)c1 105642040 AIAUBCGMBJFIRZ-UHFFFAOYSA-N 367.446 2.570 0 50 FFAA CC(=O)Oc1c(C)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1C 55270289 SSYXKPSVFHXZDP-IBGZPJMESA-N 352.434 2.641 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 29027688 OPEZLDIPIKAFMY-CQSZACIVSA-N 366.483 2.618 0 50 FFAA COc1ccc(C)cc1-n1c(SCC(=O)O)nnc1-c1cccnc1 67843043 OTNPWVQDOOAWII-UHFFFAOYSA-N 356.407 2.823 0 50 FFAA O=C(CN1CCC[C@@H]1c1ccccc1)NC[C@H]1COc2ccccc2O1 247805952 ZHWGVBHWKNPDLB-ZWKOTPCHSA-N 352.434 2.780 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642888 OAHMLWQISGEXBB-GVZOWKQASA-N 366.454 2.754 0 50 FFAA in-vitro CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 248073164 QUEZPJONFREUOD-MJGOQNOKSA-N 372.490 2.655 0 50 FFAA O=C(CCNCC1(c2cccc(F)c2)CCOCC1)Nc1cccnc1 65394072 JQFKBNICPRFWON-UHFFFAOYSA-N 357.429 2.887 0 50 FFAA CCc1c[nH]nc1C1CCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 67587204 UBZNPFCVXPFDMZ-SFHVURJKSA-N 370.501 2.733 0 50 FFAA O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(CCNc3cccnc3)nc21 65410363 AWOZLJQEBDOIMJ-CQSZACIVSA-N 365.412 2.668 0 50 FFAA Cc1ccsc1CN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CC1 67955078 LFYCWIUINSMIIU-UHFFFAOYSA-N 350.465 2.509 0 50 FFAA CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CC2(CCNCC2)CN1 72157905 AKIGRIAEAVZAEQ-ZGBFETHSSA-N 355.526 2.916 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1ccc(OCC(N)=O)c(Cl)c1 215891871 LGKYTNSRABJWLT-LBPRGKRZSA-N 364.877 2.747 0 50 FFAA Cc1cccnc1C1(CNc2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 366133844 KDCZHTPQBKDRSY-MRXNPFEDSA-N 353.470 2.532 0 50 FFAA O=C(N1CCO[C@H](CCCc2ccccc2)C1)C1(Cn2cccn2)CC1 71736369 XBTKULXYOHJJIZ-LJQANCHMSA-N 353.466 2.914 0 50 FFAA CCn1nc(C)c(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c1C 71416373 OCZPAJKQYHEFTL-KRWDZBQOSA-N 360.502 2.629 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NC[C@@H]2CCCN2)Cc2ccccc2C1 72131839 CXAAXFPPRBYIMO-NRFANRHFSA-N 363.505 2.524 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCc4c(ncnc4N(C)C)C3)c(C)c2c1 71746237 CGIYIPRSTXZPPI-UHFFFAOYSA-N 365.437 2.539 0 50 FFAA CC(C)(NC(=O)c1ccc2nc(S)oc2c1)C(=O)NCC1CCCC1 126983723 DJZLEQSRLMIXKN-UHFFFAOYSA-N 361.467 2.931 0 50 FFAA O=C(N[C@H]1CCO[C@]2(CCOC2)C1)N1CCC(Cc2ccccc2)CC1 378411182 UKHRKBYTVFNBCH-PZJWPPBQSA-N 358.482 2.989 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1csc(CN)n1 237683059 NWGWQDJKPJXTCZ-GJZGRUSLSA-N 372.538 2.830 0 50 FFAA O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1CCNC1 237894954 JPYRZZMIDUTPNS-MAUKXSAKSA-N 352.413 2.642 0 50 FFAA Cc1nc(CC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cs1 72478763 GNAKPHKUTNBIFK-UHFFFAOYSA-N 356.426 2.920 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccccc1N1CCCC1)C2 223512010 BBFSCJVUGZTELK-HNNXBMFYSA-N 354.454 2.583 0 50 FFAA CCC(=O)N1CC[C@H]2CN(c3nccc(-c4ccc(C)nc4C)n3)C[C@H]21 82125549 MRLUMMAFMGGCLT-MAUKXSAKSA-N 351.454 2.603 0 50 FFAA COc1ccccc1CCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 426707426 LZIVIXKTWIZKMT-JOCHJYFZSA-N 370.493 2.879 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc3nc(-c4ccccc4)cn3c1)C2 82100240 BFWJAXJPFHSKLS-UHFFFAOYSA-N 371.400 2.549 0 50 FFAA O=C(NC[C@]1(O)CCCNC1)c1cccc(-c2nccc3ccccc23)c1 426513624 ISKFJJVNEVODFS-QFIPXVFZSA-N 361.445 2.746 0 50 FFAA C[C@@H](Cn1cccn1)NC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 426668970 IOSRQAKXNYYWEE-INIZCTEOSA-N 364.453 2.832 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2c[nH]c3nccc-3c2)c1 426382980 BMWRIFLOEWEECY-ZDUSSCGKSA-N 350.422 2.778 0 50 FFAA Cc1ccnc(NC(=O)c2ccn([C@H](C)C(=O)Nc3cc(C)ccn3)n2)c1 20617533 FGCFXYAGTPVLBG-CQSZACIVSA-N 364.409 2.742 0 50 FFAA Cc1noc(C)c1CN1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 426575019 NLKHTKOLMAYWCG-QGZVFWFLSA-N 372.517 2.785 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 426533744 GIKNEPASFKUBJO-ZDUSSCGKSA-N 371.441 2.525 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 91656599 VWCXDOVFDMZGFC-FQEVSTJZSA-N 353.422 2.999 0 50 FFAA COC[C@@H](NC(=O)Nc1cc(-c2nnc(C)o2)ccc1C)c1ccnn1C 96141093 CGAWQZONZPOMRG-OAHLLOKOSA-N 370.413 2.596 0 50 FFAA O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N[C@H]1CCOC1 179152273 PATOQCDQHRHQKF-KRWDZBQOSA-N 350.422 2.673 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95519333 CEURIVDTPJWWKA-QGZVFWFLSA-N 364.453 2.563 0 50 FFAA NCCOc1ccc(F)cc1C(=O)N1CCC(Cc2cccnc2)CC1 426573316 SXHBBPDMXKFFBK-UHFFFAOYSA-N 357.429 2.653 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c(C)c1 91690085 CPBOWNVUMOELLM-UHFFFAOYSA-N 373.541 2.770 0 50 FFAA COc1ccc(CN2CCC[C@@H]2c2n[nH]c(C)n2)cc1Cn1cccn1 97679848 VSOCKQPHWTUUDR-QGZVFWFLSA-N 352.442 2.704 0 50 FFAA CC(C)Cc1nc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)no1 91943719 UONVAARNSCHCAC-UHFFFAOYSA-N 360.502 2.883 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C(=O)C[C@H]3C=CCC3)CC2)CC1=O 91595765 LRKXCMLWUAVBCM-KRWDZBQOSA-N 371.481 2.989 0 50 FFAA O=C(CCc1ccsc1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91695766 AWLAYWRKPSKJHX-QZTJIDSGSA-N 350.528 2.624 0 50 FFAA CO[C@H]1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97759330 VFZKMXTXIWCCAG-SFHVURJKSA-N 356.422 2.823 0 50 FFAA Cc1c(N2CCC[C@](CO)(C(C)C)C2)nn2c(C(F)(F)F)nnc2c1C 293969634 HRIOBFDSNVTUBB-INIZCTEOSA-N 371.407 2.995 0 50 FFAA Cc1cccc(-c2cccc(NC(=O)NCCCN3CCNC(=O)C3)c2)c1 95524314 XBXODAJTBKZTLJ-UHFFFAOYSA-N 366.465 2.605 0 50 FFAA CC(=O)c1ccc(N2CCN(c3nc4c(s3)c(C)nn4C)CC2)cc1 95521729 CRAHTIKQCBOCAI-UHFFFAOYSA-N 355.467 2.867 0 50 FFAA C[C@H]1COCCN1c1ccc(NC(=O)c2ccccc2-n2ccnn2)cc1 182791549 LWZUQPYZEXYWCK-HNNXBMFYSA-N 363.421 2.745 0 50 FFAA CSCC[C@H](CO)NC(=O)[C@@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 252510400 ZJHOROWWXDFDEV-JCGIZDLHSA-N 363.523 2.932 0 50 FFAA CN1CCN2CCN(C(=O)c3cccc(-c4ccc(F)cc4F)c3)C[C@H]2C1 299778209 OOWRHARONYTAON-GOSISDBHSA-N 371.431 2.704 0 50 FFAA Cc1cc(=O)c(C(=O)O)c(CC2CCCC2)n1CCCN1CCCC1=O 299796653 ODRCNNLRVHJYFD-UHFFFAOYSA-N 360.454 2.600 0 50 FFAA CCOc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299798293 RDNCUMOIGURSST-UHFFFAOYSA-N 364.453 2.700 0 50 FFAA O=C1C[C@@H](CN2CCN(C3CCSCC3)CC2)CN1c1ccccc1 299791934 DHHCAWYZUPAPLD-KRWDZBQOSA-N 359.539 2.553 0 50 FFAA CN(CCc1ccccn1)C(=O)NC[C@@H]1CCN(c2ccccc2F)C1 584887558 LECHEALNKLKSQY-INIZCTEOSA-N 356.445 2.931 0 50 FFAA Cc1conc1CNC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1347291358 DNIMSVHXVFVOSF-JXFKEZNVSA-N 369.421 2.648 0 50 FFAA CCc1ccccc1OC1CN(S(=O)(=O)c2ccc(-c3ccno3)o2)C1 952971284 JKXSOYRNOJDVRE-UHFFFAOYSA-N 374.418 2.949 0 50 FFAA CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 952976447 FQUPPMAJTGGQCH-UHFFFAOYSA-N 358.891 2.522 0 50 FFAA COc1c[nH]c(C(=O)N[C@H](C)c2nc3ccccc3n2CC(C)C)cc1=O 888089330 VUFQYPATDUMZET-CYBMUJFWSA-N 368.437 2.880 0 50 FFAA O=C(c1ccc2ncsc2c1)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565510534 XVAAGHJQMXIWSO-HIFRSBDPSA-N 365.462 2.827 0 50 FFAA O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565525848 MYEOQCFTJICYCW-IRXDYDNUSA-N 371.836 2.948 0 50 FFAA COc1ccc(CNC(=O)c2cnn(-c3ccccc3C)c2)cc1C(=O)O 170043711 TVERHXLPTHIHKL-UHFFFAOYSA-N 365.389 2.818 0 50 FFAA O=C(c1ccn(CC(F)F)n1)N1CCC(c2ncc3n2CCCC3)CC1 790157897 OYSWLBMTBGBKLD-UHFFFAOYSA-N 363.412 2.701 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)Cc1nc2ccccc2o1 1506403947 XWGSTTCQJVGANK-HNNXBMFYSA-N 355.438 2.764 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529191653 ALGLSPALQQCKER-IXDOHACOSA-N 367.449 2.979 0 50 FFAA Cc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1 1529152335 JMHCAFSATGBNDO-RTWAWAEBSA-N 366.461 2.860 0 50 FFAA C[C@H](C(=O)N1CCC(C2(O)CC2)CC1)N1C(=O)c2cccc3cccc1c23 1772817366 CQQIVVXIOWWWJY-CQSZACIVSA-N 364.445 2.952 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 12298381 WDRSGUUUUFVUKF-IBGZPJMESA-N 360.498 2.919 0 50 FFAA CCN(C)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12718856 RCMAONOGZHIYJA-HXUWFJFHSA-N 357.542 2.884 0 50 FFAA COC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 16607247 CWMQARHAEYWJBP-UHFFFAOYSA-N 358.482 2.619 0 50 FFAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCCCC3)nn2)ccc1CC 16649039 AUZLMYVBSQEPFH-UHFFFAOYSA-N 374.510 2.995 0 50 FFAA Cc1ccc(NC(=O)[C@@H](C)N2CCOCC2)c(C(=O)c2ccccc2)c1 19596526 QEUCCKADRGECAK-MRXNPFEDSA-N 352.434 2.885 0 50 FFAA CCCC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3cnccn3)n2)C1 19741064 PGQDSZZXLDDQMS-UHFFFAOYSA-N 364.409 2.582 0 50 FFAA COCCc1noc(CN(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 150731674 HEUUCMSDIFTBPG-UHFFFAOYSA-N 374.319 2.821 0 50 FFAA O=C(N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O)c1occc1-c1ccccc1 1857527137 KRSDQZUKNQNRTJ-JLSDUUJJSA-N 351.406 2.713 0 50 FFAA C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CCN1c1ccc(F)cn1 1857670803 CLIQDLYZQUWDOM-CYBMUJFWSA-N 363.820 2.990 0 50 FFAA COCCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696813 DPPDDFNZXHJSLV-GFCCVEGCSA-N 351.834 2.850 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857731433 ILVYNZKCQAMDHN-GRDNDAEWSA-N 365.861 2.722 0 50 FFAA CN1CCN(c2ncnc3ccc(-c4ccc5c(c4)CN(C)C5=O)cc23)CC1 1875241215 QXAGKIYAEBHKIZ-UHFFFAOYSA-N 373.460 2.634 0 50 FFAA CN1CCN(CCCNC(=O)[C@@H]2[C@H]3CCCC[C@H]32)[C@@H](c2ccccc2)C1 242284637 YIJRWLCCJBJQOF-MHTWAQMVSA-N 355.526 2.918 0 50 FFAA C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cc2c(cc1F)NC(=O)CC2 135503920 XODVCOYVYDLBTF-CYBMUJFWSA-N 367.424 2.891 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@H](C)c2cc(C)ccn2)[C@H]1c1cnn(C)c1 952887245 MDNNHULCGXIAGZ-QINHECLXSA-N 355.486 2.774 0 50 FFAA CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@@H](O)[C@@]12CCSC2 1875267293 CXYDLKMNQQWHID-BEFAXECRSA-N 374.462 2.516 0 50 FFAA O=C([C@@H]1[C@H]2CC[C@@]1(c1ccccn1)C2)N1CCc2[nH]nc(C(F)F)c2C1 1875392371 FOPOBUZQEGIUJC-LLJZQGTPSA-N 358.392 2.995 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccc(CN(C)C)cc3)n[nH]c21 1875394259 AYXAFKGHCJXVCY-KGLIPLIRSA-N 356.470 2.766 0 50 FFAA COC(=O)c1cc(NC[C@]2(C(=O)OC)CC=CCC2)c(F)cc1OC 1875341488 UXFZSZLUXYWSKT-SFHVURJKSA-N 351.374 2.932 0 50 FFAA Cn1ccnc1[C@H]1[C@H](NC(=O)C=C2CCCCC2)CCC(=O)N1C1CC1 886085073 ZNUGNPZVFYDHGZ-VQIMIIECSA-N 356.470 2.621 0 50 FFAA C[C@@H](C(=O)N[C@H]1CC[C@H](C(=O)O)CC1)N1C(=O)c2cccc3cccc1c23 2100545577 XOSGLKLVRBMMOA-QEJZJMRPSA-N 366.417 2.948 0 50 FFAA COc1cc(C)c2cc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)oc2c1 2325786199 PWTUGCHLOJVECG-IAOVAPTHSA-N 369.421 2.516 0 50 FFAA C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790696 BLGDCOVKNZLWBD-KBMXLJTQSA-N 363.469 2.514 0 50 FFAA CC(C)c1nc(-c2cnn3c2CCC[C@@H]3C)n([C@@H]2CCS(=O)(=O)C2)n1 2325849391 NZNWDABFCDCVGP-QWHCGFSZSA-N 363.487 2.522 0 50 FFAA N[C@H](CNC(=O)c1ccc2[nH]ccc2n1)c1ccccc1Br 2325857667 KWECJLFKVAFXBI-GFCCVEGCSA-N 359.227 2.755 0 50 FFAA O=C(N[C@@H](CO)[C@H](O)c1ccc(Cl)cc1)c1ccc2ccncc2c1 2325868964 SELWIQHILGJYMI-ZWKOTPCHSA-N 356.809 2.713 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)CC1 2325888011 MAZMLBAMKOKZHT-OAHLLOKOSA-N 360.429 2.662 0 50 FFAA CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 800597 RTWWELUTBHUUEK-UHFFFAOYSA-N 358.419 2.593 0 50 FFAA CCOc1ccc(N([C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 1154958 GEAMHLLGLQUEQX-AWEZNQCLSA-N 368.499 2.689 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC4(CC3)C[C@](C)(O)CCO4)cc2nc1C 2356147493 YNQXEPDPOGCHKT-HXUWFJFHSA-N 369.465 2.783 0 50 FFAA Cc1cc(NC(=O)Cn2ccccc2=O)n(Cc2ccccc2Cl)n1 2356163607 KPQCIESSLJFVGJ-UHFFFAOYSA-N 356.813 2.694 0 50 FFAA O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCCCCC1 2879936 VRDDJPOOWULGKP-UHFFFAOYSA-N 355.221 2.992 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1 2985730 KVDRHWMPMLUVPL-UHFFFAOYSA-N 364.492 2.857 0 50 FFAA CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21 4744915 ACCMQFBKWULOQG-SIRPWMCASA-N 354.443 2.878 0 50 FFAA biogenic O=C(c1cncc(O)c1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225490680 KRWDLVATXKCOOP-WFASDCNBSA-N 352.312 2.754 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 246206563 BOEUSJWGNRNKGW-NXHRZFHOSA-N 374.481 2.707 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1CCCN(Cc2ccco2)C1 55358253 DHDKKHASFZUDDI-KRWDZBQOSA-N 370.449 2.969 0 50 FFAA Cc1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 67629603 GTGXJJMIXOUJRE-ZDUSSCGKSA-N 350.415 2.927 0 50 FFAA CCN1CC[C@@H](N2CCN([C@H]3CCc4ccccc4C3)CC2)CCC1=O 23358269 XXCSSSMALOSUMJ-SFTDATJTSA-N 355.526 2.563 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C2CCN(C(=O)c3ccncc3)CC2)C1 67910172 IJCLZDNACXIXCF-QFIPXVFZSA-N 365.477 2.588 0 50 FFAA O[C@@H](COCc1ccco1)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 247801642 WCPDWXVUHGURBJ-AEFFLSMTSA-N 359.422 2.765 0 50 FFAA CN1CCC[C@H]2CN(C(=O)CCc3nc(-c4cccs4)no3)CC[C@H]21 248075261 MWHICYKRFAHLEI-UONOGXRCSA-N 360.483 2.673 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCN(C3CCCCC3)C2)C12CCOCC2 248562387 GLZUDJWDILUNBO-YTQUADARSA-N 364.530 2.731 0 50 FFAA COc1ccccc1-c1cn2c(C(=O)N[C@@H](C)CN(C)C)csc2n1 67515101 YZTZVNJCOYAZPQ-LBPRGKRZSA-N 358.467 2.751 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)nc(C)n1 67629765 AJZLLPXFURTAGT-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA Nc1cc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c2cc[nH]c2n1 72167945 AKTVJNPZKYESTH-VQIMIIECSA-N 350.422 2.702 0 50 FFAA O=C(CCc1c[nH]cn1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280678629 DLSXCPLVYBVRTP-SWLSCSKDSA-N 353.344 2.696 0 50 FFAA CC[C@@H](SC)C(=O)N1CCC[C@H](N(CC)Cc2noc(C)n2)CC1 328633147 LTKDMAZGUMRUIG-LSDHHAIUSA-N 354.520 2.723 0 50 FFAA CCOc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)ccc1OC 39447503 AWISNNBYGPGURX-LJQANCHMSA-N 362.514 2.905 0 50 FFAA Cc1csc(SCC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)n1 219653356 YVYNLPOGDLNUTG-CYBMUJFWSA-N 367.540 2.793 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)N1CCOCC1 72475606 SLRYQZKAKFLXOV-INIZCTEOSA-N 369.465 2.915 0 50 FFAA COc1ccc(NC(=O)CN2CC[C@H](Cc3cnn(C)c3)C2)cc1Cl 363170134 CRGDYPGXBDDFQL-CYBMUJFWSA-N 362.861 2.585 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3nccn3C)n2)cc1C(=O)O 77407118 XJOWPUGKCZEKBP-UHFFFAOYSA-N 367.409 2.610 0 50 FFAA Cc1nc(C)c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)o1 262423199 GMJPUTBWHBGKAP-OAHLLOKOSA-N 371.393 2.623 0 50 FFAA C[C@H](CN(C)C(=O)c1cc2ccccc2cc1OC(F)F)c1nnn[nH]1 124162514 JFQQITDHXZBMFI-SNVBAGLBSA-N 361.352 2.830 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3ccccc3c2)C1 365716366 ODUCMCNXNJVJPE-QGZVFWFLSA-N 362.433 2.918 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cn2c(n1)SCC2 72143860 NWQLSHSRBZXKFQ-UHFFFAOYSA-N 367.478 2.650 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN(CC(C)C)[C@H](CCO)C3)cn2)c1 36385681 UEYDYVPXPXTTNR-OAQYLSRUSA-N 368.525 2.977 0 50 FFAA CCCOc1ccc(NC(=O)N[C@@H]2CCCn3nc(COC)nc32)cc1 125180616 QZPJXBRFXSGODW-OAHLLOKOSA-N 359.430 2.870 0 50 FFAA Cc1cc(NC(=O)C2CCN(C(=O)N3CCCC3)CC2)ccc1C(=O)O 261689585 BCFDYJGPVQJSFU-UHFFFAOYSA-N 359.426 2.560 0 50 FFAA O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 370663895 ZHZCPKLHBFYCPW-OAHLLOKOSA-N 358.873 2.815 0 50 FFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)CC1 72149787 PUEGVGXTHPOENT-GOSISDBHSA-N 352.482 2.750 0 50 FFAA C[C@H](C(=O)N1CCOc2c(Cl)cccc21)n1nnc(-c2ccccc2)n1 158465441 ACJDNOONJXDRDT-GFCCVEGCSA-N 369.812 2.980 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 77454567 FOFHJUKECZHVQD-SFHVURJKSA-N 359.857 2.816 0 50 FFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 377192075 WSGUMBZDWYWWTR-HNNXBMFYSA-N 350.418 2.564 0 50 FFAA CSCCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72462687 UHXWFYUOCRTHMM-GOEBONIOSA-N 366.552 2.883 0 50 FFAA C[C@@H](N)[C@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 237334545 GTMCHRDQGSWUQC-HIFRSBDPSA-N 350.894 2.537 0 50 FFAA COc1ccccc1N1CCN(C(=O)NCC2C[C@H](C)O[C@@H](C)C2)CC1 282136232 GQADFCQDCLYEKD-HOTGVXAUSA-N 361.486 2.730 0 50 FFAA Cn1c(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)ccc1-c1ccccc1 72147978 DBZQGYITKOGUEZ-FQEVSTJZSA-N 353.422 2.797 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2CCCNCC2)c1C(F)(F)F 237736479 ZTNLHPQXYAKGRU-UHFFFAOYSA-N 352.360 2.635 0 50 FFAA Cc1noc(C)c1CNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223217702 IIOQJUHTGIGPDX-LBPRGKRZSA-N 368.359 2.848 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(Cc2cccnc2)CC1 82108570 RJZJSFVPPJZXKL-GOSISDBHSA-N 356.470 2.790 0 50 FFAA CC(=O)N1CCCn2nc(CNc3ncccc3C(F)(F)F)cc2C1 82099325 SWDOBSXGUSCVPO-UHFFFAOYSA-N 353.348 2.661 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NC1CCN(c2ccccc2)CC1 426502824 CGELDMUGZACJFS-UHFFFAOYSA-N 355.486 2.879 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)cc1Cl 82139237 RSWVJWPBXCDCPE-AWEZNQCLSA-N 373.902 2.963 0 50 FFAA CC(=O)N1CC2(CCN(Cc3ccc(C)c(F)c3F)CC2)C[C@H]1C(=O)O 82097378 DOSNZZSMHSTQNX-HNNXBMFYSA-N 366.408 2.561 0 50 FFAA Cc1nc(CC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(C)s1 178188182 JKXUCOVPBUGPBV-UHFFFAOYSA-N 363.508 2.785 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@H](c3cccnc3)N3CCCC3)CC2)n1 97468195 SZJGDVUDZMHIIL-IBGZPJMESA-N 367.497 2.628 0 50 FFAA COc1ccc2c(c1)OC[C@H](Cc1ccc(N3CCSCC3)nn1)C2 91817577 LAFVUXWPUXHXGE-AWEZNQCLSA-N 357.479 2.832 0 50 FFAA COc1cccc([C@H](C)NC(=O)c2cnc(-c3cccnc3)nc2O)c1 91459888 GFFSUYNEYDVRRF-LBPRGKRZSA-N 350.378 2.744 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1c1ccccc1 91663866 FPUZHNGVSXLWAB-DLBZAZTESA-N 363.417 2.753 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nc3cc(OC)ccc3o1)C2 91871302 NVXAOKDPOAKVKC-CYBMUJFWSA-N 368.389 2.713 0 50 FFAA CN1CCN([C@H]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1 97610079 OJBNOGNQVGVJCC-KRWDZBQOSA-N 360.502 2.771 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)CN1CC2(CCCC2)CC1=O 95521690 KXWKLQXVZDKPKY-UHFFFAOYSA-N 360.502 2.832 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc(C(C)(C)C)c1O 96166922 GOVXIVVDSPTABG-HRAATJIYSA-N 363.498 2.945 0 50 FFAA CC[C@H](NC(=O)c1cnc(-c2csc(C)n2)nc1O)c1nc(C)c[nH]1 96153484 IKHAFWFPOZAJRM-NSHDSACASA-N 358.427 2.527 0 50 FFAA COc1ccc2ccccc2c1CN1CCC2(CC1)[C@@H](OCCN)C[C@H]2O 92061782 GBFCGQOANSEAQF-RTWAWAEBSA-N 370.493 2.539 0 50 FFAA CC[C@]1(C(=O)O)CCCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 91782320 SJRVVZIJAUULQX-IBGZPJMESA-N 372.425 2.558 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCc3ccccc3O1)CC2 91817603 YXJPYKSSFVWWKI-SFHVURJKSA-N 356.466 2.631 0 50 FFAA CC(C)c1nc(C(=O)N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)cs1 244811469 SDJGYWWNBNMKET-UHFFFAOYSA-N 362.455 2.637 0 50 FFAA Cn1cc([C@H](NC(=O)c2cc3c(s2)CCCCC3)[C@H]2C[C@@H](O)C2)cn1 244691825 JJWDMRYKUONJTL-QIIPPGSGSA-N 359.495 2.993 0 50 FFAA COc1ccc(C)cc1NC(=O)CCN1CCC[C@H]1C(=O)N1CCCCC1 243914995 BLHWYJGDQXYRCT-SFHVURJKSA-N 373.497 2.809 0 50 FFAA NC(=O)c1csc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 299352120 PUHDIWNIEPGELV-UHFFFAOYSA-N 369.490 2.510 0 50 FFAA O=C(NCC(=O)N1CCOCC1)c1cccc(Oc2ccc(Cl)cc2)c1 182681737 CIPKHSBVSZYNOL-UHFFFAOYSA-N 374.824 2.721 0 50 FFAA CC(C)CN1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C)[C@@H](C)C1=O 299758858 DQIZVFSWUBYYCL-HNNXBMFYSA-N 369.469 2.808 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2OC2CCN(C)CC2)[nH]n1 299795375 OJORFTKRVLYIKY-AWEZNQCLSA-N 371.485 2.944 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)N[C@@H]2COc3ccccc3C2)CC1 584886974 XOSKPPABZUEDLS-SFHVURJKSA-N 366.465 2.615 0 50 FFAA Cc1ccc([C@@H](NC(=O)NCC2(O)CCN(C)CC2)c2cccs2)cc1 584886689 XPRGLMGDWXDOAA-GOSISDBHSA-N 373.522 2.902 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3C[C@H]4C[C@@H](N(C)C)CC[C@H]4C3)n2)cc1 1345237896 YKFRYXIOKVWFFG-JZXOWHBKSA-N 368.481 2.683 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)N3CC(c4ccccn4)C3)CC2)cc1 952988151 BLCUMHMHTFCWKL-UHFFFAOYSA-N 363.461 2.868 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3noc(Cc4cccs4)n3)n[nH]2)o1 952871911 GJSKVAVJGOMBEY-UHFFFAOYSA-N 369.406 2.943 0 50 FFAA CS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCCC2)cc1 952964711 NDRRSPIJIAGKDG-UHFFFAOYSA-N 372.490 2.867 0 50 FFAA COc1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)cc2c1O[C@@H](C)C2 1447529585 ZGXCGAXQBSRSFP-SUMWQHHRSA-N 356.422 2.571 0 50 FFAA O=C(Cc1ccc2c(c1)OCCCO2)NC[C@H]1CCCN2CCCC[C@@H]12 888088835 SVVLFVJJJSJYFU-MSOLQXFVSA-N 358.482 2.771 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CCO1 268942491 FNINPSQRHZXSBJ-GFOMBABLSA-N 359.422 2.723 0 50 FFAA CCOC(=O)C[C@H](NC(=O)[C@H]1CSCCS1)c1ccc(F)cc1 170594625 JSRHJZDMRDJWML-UONOGXRCSA-N 357.472 2.785 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCO[C@H](COCC2CC2)C1 170600907 LGAVCMMCKGQVCB-INIZCTEOSA-N 357.372 2.902 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cccc(C(N)=O)c2)C1 190460496 GGWHGNVAOPHIPU-INIZCTEOSA-N 358.511 2.504 0 50 FFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccc1 5388496 LHQKLLPJIZVETO-UHFFFAOYSA-N 353.809 2.880 0 50 FFAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCC(C)(C)CO)C3 11788385 QGZIANVZXFERQM-ZDUSSCGKSA-N 363.527 2.724 0 50 FFAA CN(C)CCN(C(=O)c1cn(Cc2ccc(F)cc2)nn1)C1CCCCC1 12092034 USRGPJYTHBNLSX-UHFFFAOYSA-N 373.476 2.802 0 50 FFAA O=C(NCCc1ccccc1)[C@H]1CNC[C@@H](COc2cccc(F)c2)C1 14749599 CRFVQNYLNRDQMS-ZWKOTPCHSA-N 356.441 2.789 0 50 FFAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccncc3)C2)CC1 19772127 YWONLIDLFZLPNU-HXUWFJFHSA-N 366.509 2.877 0 50 FFAA O=C1OC[C@@]2(Cc3ccccc3)CN(Cc3ccc4c(c3)CCO4)CCN12 1857672783 HEPNXWCADFFXII-JOCHJYFZSA-N 364.445 2.871 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc(O)cc1 1857713274 OCKWNSOCYKPZRS-OAHLLOKOSA-N 366.421 2.851 0 50 FFAA CCN(C/C=C/c1ccccc1)C(=O)[C@H]1CC(=O)N(c2nnc(C)s2)C1 1857729204 MZHRZZFQYOOBLN-JCVNQNCUSA-N 370.478 2.761 0 50 FFAA O=C(c1conc1-c1ccccc1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 222055985 BUUGJUDZJLABKB-IRXDYDNUSA-N 369.465 2.508 0 50 FFAA CN1CCN(CCCNC(=O)C2[C@@H]3CCCC[C@@H]23)[C@H](c2ccccc2)C1 230154727 YIJRWLCCJBJQOF-AQNXPRMDSA-N 355.526 2.918 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 237498452 QIUWFQJVOJNFFO-YPMHNXCESA-N 363.259 2.587 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 248063398 VJIMESHJDSGFRC-OALUTQOASA-N 352.482 2.774 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cc(-c3ncc[nH]3)ccc1C)C2=O 373696694 OZDHAZAQVFLJNC-UHFFFAOYSA-N 374.400 2.928 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(c2nccnc2OC2CCC2)C3)o1 912369790 SIUWYDGBLHYZFX-DJJJIMSYSA-N 355.442 2.911 0 50 FFAA COC[C@@]1(CO)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 829377699 VKLRLHVDNWTDHU-FQEVSTJZSA-N 350.422 2.527 0 50 FFAA Cc1cccnc1OC1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1875394948 CMQUJGHODJIBTP-KGLIPLIRSA-N 370.453 2.819 0 50 FFAA Cc1ccc2ncc(NC(=O)[C@@H]3CN(C(=O)C(C)(C)C)CCO3)cc2c1 1875302225 FHYGBAUIKQRPRH-KRWDZBQOSA-N 355.438 2.755 0 50 FFAA Cn1cnc(C(=O)N[C@@H]2CN([C@H]3CCc4ccc(F)cc43)CC2(C)C)c1 1875406879 OFQYORDTSZHGTN-ZWKOTPCHSA-N 356.445 2.687 0 50 FFAA CCOC(=O)[C@H](C)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1 2268140 IXNLCAOPOPPKKB-LBPRGKRZSA-N 350.367 2.875 0 50 FFAA biogenic CC1(C)CN(C(=O)c2cc(S(N)(=O)=O)cs2)c2ccc(Cl)cc21 2325773993 OSIMGCAEUHEGBQ-UHFFFAOYSA-N 370.883 2.987 0 50 FFAA COc1ccc2cc(CNc3cnc4c(c3)C[C@@H](N)CC4)c(O)nc2c1 2325801488 KYDSMULEIAQUIL-HNNXBMFYSA-N 350.422 2.772 0 50 FFAA Cc1cc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)nc(C(F)F)n1 2325807347 SUFNPOJQHQDTSA-UHFFFAOYSA-N 374.317 2.858 0 50 FFAA O=C1CCCc2cc(C(=O)OCC(=O)C3CC4(CCOC4)C3)ccc2N1 2325808023 VMVWCOOPPWDMOM-UHFFFAOYSA-N 357.406 2.504 0 50 FFAA COc1cc(S(=O)(=O)N2CCC[C@H]2Cc2cccc(F)c2)sn1 2325819098 RIDSTOBPNRXINY-ZDUSSCGKSA-N 356.444 2.687 0 50 FFAA Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCCc4cccnc43)C2)no1 2325839170 KYGWDDCACFORSU-ROUUACIJSA-N 354.454 2.531 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@](N)(c3ccccc3)C2)cc1 2325858177 BTABUEIYDANBNS-OAQYLSRUSA-N 362.433 2.785 0 50 FFAA CCCC[C@H](NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1)C(=O)O 2325876151 LRFGBVYSXHBKQJ-LBPRGKRZSA-N 369.393 2.960 0 50 FFAA CN1CCC[C@H](NS(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 2325879850 JZDYKIQZYGRXOZ-AWEZNQCLSA-N 351.497 2.573 0 50 FFAA O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cc(Cl)ccc1Cl 706910 KJTDDXMNVWVMSF-UHFFFAOYSA-N 361.612 2.649 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2cc(C)on2)c(C(=O)OCC)c1C 1055036 CRRMRDPPKMDRSN-UHFFFAOYSA-N 366.395 2.959 0 50 FFAA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=S)N1 1462039 HEABQBNTRZDIKX-QGZVFWFLSA-N 354.431 2.928 0 50 FFAA CCC[C@]1(C(=O)O)CCN(c2nccc(-c3ccc(C)nc3C)n2)C[C@@H]1O 2356142796 IJYSGBKCAXIHGE-PXNSSMCTSA-N 370.453 2.598 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)NC[C@H](O)c1cccc(O)n1 2356155636 KRIMEOSPTAIAQB-KRWDZBQOSA-N 368.389 2.731 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@]12CCCN(C1CC1)C2=O 2356164531 WOZLMQQNBOJYGR-KRWDZBQOSA-N 368.403 2.923 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1[nH]c2ccccc2c1Cl 2356167358 XNTQWLAMVNKXPS-IBGZPJMESA-N 361.873 2.771 0 50 FFAA COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10454364 XVZKIQWYBUFKTK-UHFFFAOYSA-N 352.390 2.962 0 50 FFAA Cc1cc(C)n(CCCN(C)Cc2c(C)n(CC(N)=O)c3ccccc23)n1 55357930 KIBPAUKNUMIWHQ-UHFFFAOYSA-N 367.497 2.770 0 50 FFAA O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(CSc2ncn[nH]2)o1 55341292 GAUIUVFVOLFLFL-INIZCTEOSA-N 370.434 2.734 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 9668503 LTQSZONGEQQFRE-OAHLLOKOSA-N 351.406 2.945 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 134217413 JVTFSQWQWRZULF-KRWDZBQOSA-N 368.437 2.654 0 50 FFAA CCC(=O)Nc1cccc(C(=O)N(CCC(N)=O)CCc2ccccc2)c1 55309637 YQTYIMSEUPZVFF-UHFFFAOYSA-N 367.449 2.595 0 50 FFAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)cc2c1C 116760675 BCQKKQFJFCFKIV-CYBMUJFWSA-N 353.344 2.678 0 50 FFAA COc1ccc2nc(NC(=O)Cn3cnc(C4CCC4)cc3=O)sc2c1 134423752 WUMDIKOQXSMRJO-UHFFFAOYSA-N 370.434 2.768 0 50 FFAA c1ncn(-c2ccc(N3CCC(N4CCOC5(CCCC5)C4)CC3)cc2)n1 20998356 YXTDODYAOXSRRT-UHFFFAOYSA-N 367.497 2.881 0 50 FFAA Cc1nc(C2CCNCC2)cc(N2CCCC[C@H]2CCN2CCCC2=O)n1 67880806 BWOICHOUWCLQJX-SFHVURJKSA-N 371.529 2.623 0 50 FFAA CC[C@H](Oc1ccccc1)c1nn2c(CN3CCOCC3)nnc2s1 67603673 GMLVKLXATQPUQQ-AWEZNQCLSA-N 359.455 2.548 0 50 FFAA CC[C@@H](C(=O)N1CCCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 67338714 UFISBKLHMRLGPY-AWEZNQCLSA-N 358.891 2.815 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@@H]1c1cccc(O)c1 67649438 QFHYVXHJMVHMJX-KRWDZBQOSA-N 357.845 2.958 0 50 FFAA CCn1cc(NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cn1 123252455 GSUXAYNDCYACTF-SNVBAGLBSA-N 353.348 2.764 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(c3cc(N)ncn3)CC2)c1 67872509 BSWLOEYCKRZEJI-UHFFFAOYSA-N 350.426 2.842 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C(N)=O)c1C 995909 FCADOSCBRYTHKO-UHFFFAOYSA-N 362.407 2.593 0 50 FFAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)C1(N2CCCCC2)CCCCC1 216427642 DIEUPVZPRRZWCW-GOSISDBHSA-N 371.529 2.750 0 50 FFAA O=C(NCCCOc1cccnc1)c1cn(Cc2ccc(Cl)cc2)nn1 11821322 JPRJOBVAZUYJOW-UHFFFAOYSA-N 371.828 2.574 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCN1C1CCOCC1 154785179 TTXRIPCNPQUFTP-IBGZPJMESA-N 354.454 2.513 0 50 FFAA Cc1nn([C@@H](C)C(=O)O)c(=O)n1-c1ccc(OCc2ccccc2)cc1 6925412 IUPSRCJRVQLHCV-ZDUSSCGKSA-N 353.378 2.567 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cccc(CN2CCCC2)c1 363613249 KOQCPLZXPBTYJN-LJQANCHMSA-N 354.454 2.910 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 154966400 KYJOGZDGNFWNDL-KRWDZBQOSA-N 372.415 2.857 0 50 FFAA Cc1c([C@H]2[C@H](CNC3CC(C)(c4ccccc4)C3)CC(=O)N2C)cnn1C 436470333 JGJAFHAQHVWXQD-ISODKNHKSA-N 366.509 2.958 0 50 FFAA O=S(=O)(c1ccc2c(c1)COC2)N1CCC[C@@H](Nc2ccccc2)C1 330337344 ZXECPBJTZHXIAD-GOSISDBHSA-N 358.463 2.982 0 50 FFAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)C1CCS(=O)(=O)CC1 368599081 VOESNSVKTLDFIT-RHSMWYFYSA-N 365.495 2.820 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@@H]1c1cccnc1 368750777 KWYGZAXZJFYLHK-LJQANCHMSA-N 360.417 2.669 0 50 FFAA CC(C)(C)C(=O)N1CCN(C(=O)NCCc2ccc3[nH]ccc3c2)CC1 281914593 JAWIDOMKDROYSO-UHFFFAOYSA-N 356.470 2.610 0 50 FFAA O=C(CN1CCC[C@H](OCc2ccccc2F)C1)NCc1cccnc1 375917056 DZVOBUYGBPBWAA-SFHVURJKSA-N 357.429 2.518 0 50 FFAA O=C1CCN(C[C@H](O)COCc2ccccc2F)c2ccc(F)cc2N1 126894541 YBFUTDMTRUTYLB-HNNXBMFYSA-N 362.376 2.691 0 50 FFAA CCN(C)c1ncnc2c1CCN(C(=O)c1ccc3occc3c1)CC2 72407409 DRYZQEXMLVBXMM-UHFFFAOYSA-N 350.422 2.920 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)OC1=O 77439565 IUZXCNAHQPGKEH-GFCCVEGCSA-N 368.865 2.689 0 50 FFAA Cc1oncc1C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72172632 YWVFROHIFWISCJ-GUDVDZBRSA-N 373.403 2.964 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)c2ccc(CO)cc2)CC1 72481230 OZIGMILVVRFWFS-UHFFFAOYSA-N 352.478 2.958 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 237744997 VQTFVHHODDPARJ-OAHLLOKOSA-N 360.385 2.778 0 50 FFAA CNC(=O)C[C@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C 456468165 ARJMLDJGBHFWFD-HNNXBMFYSA-N 364.449 2.897 0 50 FFAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCOC[C@H]1CC(F)F 286796794 UNSMESQWCSOKAU-CQSZACIVSA-N 372.375 2.917 0 50 FFAA O=C(c1cccc(Cl)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 82230540 PNQKDEJIAMNATO-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA O=C1C[C@@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c2ccccc2N1 222465568 YYTVXIDAFVUYIJ-GOSISDBHSA-N 369.465 2.615 0 50 FFAA Cc1scc(C(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c1-c1ccccc1 82170869 VEUFAPPKJVFKMM-IBGZPJMESA-N 354.431 2.602 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCn1c(C)cccc1=O 426533731 FFGKYOZOALGSEG-KRWDZBQOSA-N 370.449 2.974 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)Cc2cc(-c3ccccn3)no2)n(C)n1 82087370 KTDLCZANVHVLFJ-UHFFFAOYSA-N 353.426 2.941 0 50 FFAA O=C(NC[C@@H](O)c1cccs1)NC1CCN(Cc2ccccc2)CC1 426497065 BQPQQEXOPWZOGU-QGZVFWFLSA-N 359.495 2.745 0 50 FFAA O=C(CCN1Cc2ccccc2C1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91390860 UBJJZMUGLUMLMD-HXUWFJFHSA-N 364.489 2.976 0 50 FFAA C[C@@H](Cn1cccn1)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20607008 ZOONJBMCEGQRDX-QMMMGPOBSA-N 357.361 2.669 0 50 FFAA CCCS(=O)(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 91326460 ZJXDCDSARVKLMF-HNNXBMFYSA-N 355.410 2.857 0 50 FFAA CCCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CCC)no1 95526017 OSVUZCHGFGOYIE-UHFFFAOYSA-N 371.485 2.750 0 50 FFAA CC(=O)c1cccc(-c2ccc(NC(=O)N3CCOC[C@@H](O)C3)cc2)c1 95530186 MJBABIBMMCMRNO-IBGZPJMESA-N 354.406 2.781 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N(C)C 95391276 CSBNCFRQEUJXEF-IBGZPJMESA-N 372.900 2.995 0 50 FFAA Cc1sc2ncnc(N3CCC(NCCc4ccnn4C)CC3)c2c1C 95498317 YYVCVNWSPCKSLN-UHFFFAOYSA-N 370.526 2.843 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC(N3CCSCC3)CC2)cs1 97636496 CGAKUKVIMQRITB-UHFFFAOYSA-N 352.525 2.533 0 50 FFAA CN1CCCCC[C@H]1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 97334156 GXZUBYIBFCQJJD-IBGZPJMESA-N 365.468 2.920 0 50 FFAA O=C(NCCN1CCc2ccccc21)Nc1cccc(N2CCOC2=O)c1 96153707 YKFDFHQKOLQGOR-UHFFFAOYSA-N 366.421 2.827 0 50 FFAA Cc1cc(N2CC[C@]3(CCCN(C)C3=O)C2)nc(-c2ccccc2O)n1 91756227 CFBVQIOOXLPENT-HXUWFJFHSA-N 352.438 2.606 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCCN(c2ccccc2)CC1 91663939 BGSJTVJRADWSQZ-QGZVFWFLSA-N 355.482 2.516 0 50 FFAA CCn1ccnc1C1CCN(C(=O)C2CCN(C3CCOCC3)CC2)CC1 97492456 YNIMXSDQHMMAKM-UHFFFAOYSA-N 374.529 2.500 0 50 FFAA COc1ccc2[nH]c(C(=O)NC3(CN4CCOCC4)CCCC3)c(C)c2c1 244872885 WGELUEOKPMWUBG-UHFFFAOYSA-N 371.481 2.860 0 50 FFAA CCn1nnc(C)c1C(=O)N1CCc2c(F)ccc(Br)c2C1 295576340 MVAMNFMSPYBZME-UHFFFAOYSA-N 367.222 2.707 0 50 FFAA Cc1c(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)[nH]c2c(F)cccc12 244899390 ZIYIDNNGXCMAKO-BNLOLNQZSA-N 356.401 2.591 0 50 FFAA CCn1ccnc1CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 298261069 ZTUHMXMJGNQEPX-KZNAEPCWSA-N 354.454 2.617 0 50 FFAA Nc1nc(-c2ccc(C(=O)N3CCCCCC3)cc2)cc(=NC2CC2)[nH]1 534581942 VIBRVRLMVYHMJC-UHFFFAOYSA-N 351.454 2.738 0 50 FFAA C[C@@H](Cc1ccsc1)NC(=O)c1ccc(-c2cnn(CCO)c2)cc1 534634342 HFFANUWTZBUCHR-AWEZNQCLSA-N 355.463 2.965 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2ccnn2-c2ccccc2)CC1 299780449 VCHDXNWUXGGMKS-UHFFFAOYSA-N 357.414 2.615 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H]4[C@H](C3)OCc3cnnn34)[nH]c12 299800761 IPKJNWIZBMNUQA-HOTGVXAUSA-N 365.437 2.671 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(N4CCCC4=O)c3)C2)no1 299781619 WJVWJYSUKRVVBX-AWEZNQCLSA-N 369.425 2.916 0 50 FFAA Cc1nccn1C[C@@H](C)CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12 185301917 PQLCSMNRZDOOGJ-YWZLYKJASA-N 354.454 2.669 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)Nc2nc(C(F)(F)F)co2)CC1=O 653840360 PPKSXPHTNKSUGT-VIFPVBQESA-N 369.299 2.694 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)NCc2csc(-c3ncccn3)n2)on1 584888244 ZKLPGKKGQAKTRQ-CYBMUJFWSA-N 370.438 2.943 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)c2cc(C(C)C)[nH]n2)C2CCOCC2)n1 275417346 BWDRXAPCTMTZFS-HNNXBMFYSA-N 361.446 2.937 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 276413954 KZSVPEPBQSTTNF-GOSISDBHSA-N 361.449 2.559 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)[C@@H]1CC[C@H]2C[C@H]2C1 408493544 CDRFXIBAQLOBGW-YIZRAAEISA-N 364.286 2.752 0 50 FFAA Cc1cc(OCC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)ccc1Cl 170618678 QTXMPMYIPMRDKO-CYBMUJFWSA-N 360.845 2.806 0 50 FFAA Cc1cc(Br)c(O)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1 187042998 BAAQJOGUVSTWBE-UHFFFAOYSA-N 374.260 2.614 0 50 FFAA Cc1ccc(OCC(=O)NC2CCC(Oc3cnccn3)CC2)cc1C 188248268 MWXQYVSSGVCXED-UHFFFAOYSA-N 355.438 2.979 0 50 FFAA CCO[C@@H]1C[C@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)O)C1(C)C 193040966 DMZSXDUIBIBRBJ-PXAZEXFGSA-N 364.423 2.791 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3[nH]c4ccc(Cl)cc4c3C)C[C@@H]2O)n[nH]1 1529197310 OFVWOYKOZIXZOD-PXAZEXFGSA-N 372.856 2.837 0 50 FFAA O=S(=O)(CCN1CCC([C@H](O)c2cccs2)CC1)c1ccccc1 1529091600 OLLXBXZDAKQNGO-SFHVURJKSA-N 365.520 2.967 0 50 FFAA NC(=O)CC[C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 1704313607 ROLUPGBWVIMILZ-GFCCVEGCSA-N 371.407 2.578 0 50 FFAA CCOc1cc(CN2CC[C@H](C(=O)O)[C@H](O)C2)c(Cl)cc1OC(C)C 1704324702 DHPNNWXUOYWEHM-DZGCQCFKSA-N 371.861 2.793 0 50 FFAA Cc1nc(CC(=O)N2CCCN(c3cnc4ccccc4n3)CC2)cs1 1772811176 UBRBGPXVZNPHTN-UHFFFAOYSA-N 367.478 2.676 0 50 FFAA O=C(c1cnc2ccccc2c1)N1CCCN(C[C@@H]2CCCOC2)CC1 1772709894 JLYQPPBZMQBHMK-KRWDZBQOSA-N 353.466 2.809 0 50 FFAA CC(C)N1C[C@@H](CN2CCCN(Cc3cccc(F)c3)CC2)CCC1=O 1772815617 WURLRTJHEIWEOG-LJQANCHMSA-N 361.505 2.980 0 50 FFAA C[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2Cc2ccccc2F)C1 12317299 MZLRMZODFPQYAP-AWEZNQCLSA-N 365.474 2.706 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12437363 FRMKOJQDPHZLBF-MRXNPFEDSA-N 355.438 2.955 0 50 FFAA Cc1cccc(CNC[C@]2(O)CCCN(Cc3ccccc3F)C2=O)c1 12587247 YDNBINNQJZCVRF-OAQYLSRUSA-N 356.441 2.777 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC(F)(F)F)C2 14540236 JEHKLAYQOMGNKK-LBPRGKRZSA-N 358.408 2.538 0 50 FFAA CCOc1cc(CN2CCN(C(=O)Cc3ccccc3)CC2)ccc1OC 19532035 GGFIHWFSEOZWJF-UHFFFAOYSA-N 368.477 2.981 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1OC 19567935 NLDFHUYTUAFEMS-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1 169776427 RQEUEBCWACATPK-CQSZACIVSA-N 364.449 2.822 0 50 FFAA COc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cc[nH]c3C)C2)ccc1F 1857712054 PQFYKWOPAHXQQW-HUUCEWRRSA-N 373.428 2.942 0 50 FFAA COc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857713650 AOSNFXDWPYMPSM-UEXGIBASSA-N 352.434 2.689 0 50 FFAA CCc1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)n[nH]1 1857722338 IMKQNISQBVFXCD-PMACEKPBSA-N 368.481 2.650 0 50 FFAA c1ccc(-n2nnnc2-c2cc3c(s2)C2(CCNCC2)OCC3)cc1 1857724636 LDKNFVOHLFEHKW-UHFFFAOYSA-N 353.451 2.542 0 50 FFAA CCCc1[nH]ncc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1c(C)noc1C)C2 219431859 YLZWAGYMOXIITB-CVEARBPZSA-N 371.485 2.704 0 50 FFAA CCOC(=O)CC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 2684818 ZZODTMLMVRMIIQ-UHFFFAOYSA-N 365.480 2.767 0 50 FFAA CC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]2C1 247899139 AICXCQRXFKVHMM-YOEHRIQHSA-N 374.378 2.650 0 50 FFAA CC1(C)C[C@@H](c2noc(CCN3C(=O)COc4ccccc43)n2)CCO1 351187908 UJCRSWXEDLHYEZ-ZDUSSCGKSA-N 357.410 2.710 0 50 FFAA CC(C)Oc1cncc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1 155839743 GZDSHCWFDOBQGZ-AWEZNQCLSA-N 360.845 2.926 0 50 FFAA CN(C)c1ccccc1C(=O)NCC1(CN2CCOCC2)CCCCC1 1875267818 OXESKQKMSRNSPX-UHFFFAOYSA-N 359.514 2.765 0 50 FFAA O=C(c1cc2n(n1)CCC2)N1CCc2cc(Br)sc2C1 1875265596 WALJTTJBCODDAC-UHFFFAOYSA-N 352.257 2.852 0 50 FFAA CN(CC(=O)Nc1ccc2nc(O)[nH]c2c1)Cc1ccc2cnccc2c1 1875328159 BXPJQIHEOKBCKX-UHFFFAOYSA-N 361.405 2.887 0 50 FFAA CCc1cc(C(=O)N2C[C@H](NC(=O)c3c(C)cccc3Cl)C[C@@H]2C)n[nH]1 1875308216 UXHJEYKEDAUUDV-GXTWGEPZSA-N 374.872 2.967 0 50 FFAA COc1cc(Br)cc(N2C(=O)N[C@H]([C@H]3C[C@@H]4C[C@@H]4C3)C2=O)c1 1875304174 CDFXPDGQDSBEID-QOBXEIRBSA-N 365.227 2.929 0 50 FFAA COc1ccc(-c2noc(C(=O)NCCc3ccc(F)cc3)n2)cc1OC 6668070 MWJCDEOIWDOTLT-UHFFFAOYSA-N 371.368 2.865 0 50 FFAA C[C@@H]1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21 2325730279 AZPNKYRBWAPOMD-QAPCUYQASA-N 352.434 2.812 0 50 FFAA Cc1cccnc1C(=O)N[C@@H]1CCCN(C(=O)c2ncoc2C(C)C)C1 2325786796 DBCQSGDHJXNAGD-CQSZACIVSA-N 356.426 2.536 0 50 FFAA N[C@@H](CN=c1cc(-c2ccccc2)n2[nH]cnc2n1)c1ccc(F)cc1F 2325858848 CWHZVZFIQPYSKO-INIZCTEOSA-N 366.375 2.603 0 50 FFAA CN1C(=O)N(C[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)S(=O)(=O)c2ccccc21 2325867961 KDOWHIQCAQFRGK-UTUOFQBUSA-N 356.394 2.929 0 50 FFAA OCCn1c(CSc2nc3ccccc3n2CCO)nc2ccccc21 1167930 VUSSUXBAUAPBEB-UHFFFAOYSA-N 368.462 2.663 0 50 FFAA Cc1c(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)[nH]c2c1C(=O)CCC2 2356155866 PTPJOUIUCKEMOL-NRFANRHFSA-N 369.465 2.602 0 50 FFAA CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1 6267932 MCBJJCLCIRZPQZ-UHFFFAOYSA-N 356.513 2.854 0 50 FFAA O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 6322265 HDLCQZIXNRJFFK-OAHLLOKOSA-N 356.875 2.506 0 50 FFAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 55422034 YCKCEKOJIRBQSJ-LJQANCHMSA-N 368.433 2.733 0 50 FFAA CS(=O)(=O)CC[C@H]1CCCCN1Cc1cccc2c1OC(F)(F)O2 414451271 JJBVNITWHAPKKO-CYBMUJFWSA-N 361.410 2.797 0 50 FFAA COc1cccc(CN2CCN(CC(=O)Nc3ccccc3C)CC2)c1 20418814 COFMNATVRHRSPU-UHFFFAOYSA-N 353.466 2.760 0 50 FFAA Cc1c(C(=O)N2CCN(Cc3nccn3C)CC2)sc2ccccc12 106031801 GFZUWBIAHLZLDY-UHFFFAOYSA-N 354.479 2.901 0 50 FFAA Cc1ccc(-n2nnc(C(=O)N3CCOC[C@@H]3c3ccc(C)o3)c2C)cc1 116703538 FOFXKNRIFOBSMP-QGZVFWFLSA-N 366.421 2.999 0 50 FFAA COc1ccc([C@@H]2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1 22184915 SJURKIUWAWPVGA-OAHLLOKOSA-N 359.403 2.597 0 50 FFAA CC[C@H](C(=O)N1CCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 67338747 CDYJDONOGOBSJD-CYBMUJFWSA-N 374.890 2.516 0 50 FFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 247021409 MZLMKVYEFKKRHS-YESZJQIVSA-N 374.529 2.814 0 50 FFAA O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccn1 20534444 GWWCWPDRCXKHEO-UHFFFAOYSA-N 353.334 2.621 0 50 FFAA Cc1csc(SCC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1 219653282 YVYNLPOGDLNUTG-ZDUSSCGKSA-N 367.540 2.793 0 50 FFAA Cc1nc(-c2ncccn2)sc1-c1nc(-c2n[nH]c(C3CC3)n2)no1 351195822 MXBKPUSIIORBDN-UHFFFAOYSA-N 352.383 2.621 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1cnc3ccccn13)C2 67851111 WRKXUHGSBDPXFQ-CQSZACIVSA-N 367.453 2.628 0 50 FFAA Cc1cnccc1N1CCCN(Cc2ccc(S(C)(=O)=O)cc2)CC1 67473340 OWUWNGXBNCHICD-UHFFFAOYSA-N 359.495 2.506 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 65398341 DAXNWHUGCYKJFO-MRXNPFEDSA-N 358.463 2.580 0 50 FFAA Cc1ccccc1-c1ncc(CNC2CCN(S(C)(=O)=O)CC2)s1 65489218 SCKAJSMRIRCNNJ-UHFFFAOYSA-N 365.524 2.632 0 50 FFAA COC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1C[S@](=O)C2 1383381 DBVYTMRKCXGYSL-XMMPIXPASA-N 367.810 2.602 0 50 FFAA Cn1ccc(CC(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 12468078 LAOSOHGOHZHYSI-OAHLLOKOSA-N 354.479 2.963 0 50 FFAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 150729740 ZWLQBSQOZLKANN-SFHVURJKSA-N 356.470 2.845 0 50 FFAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)Cc1cc(Cl)ccc1F 328635187 UQRNANWQNIYHMB-UHFFFAOYSA-N 371.865 2.974 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 77470393 GFZFRAGWAOACMG-KRWDZBQOSA-N 364.453 2.773 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 219790106 XZQCFDUPVATLAU-UHFFFAOYSA-N 372.904 2.552 0 50 FFAA COc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@@H](C)c3nnn[nH]3)c2c1 124244981 VBZRJHOPKHLIKY-LLVKDONJSA-N 366.425 2.510 0 50 FFAA O=C(Nc1ccc(Cl)nn1)[C@@H]1CCCN1C(=O)OCc1ccccc1 155527445 VGJFWRCJPYCNGI-ZDUSSCGKSA-N 360.801 2.870 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(CC(C)C)nn2C)[C@H](C)C1 72480049 UDYJVFJSSHELGG-MRXNPFEDSA-N 370.497 2.978 0 50 FFAA O=C(Nc1ncc(C2CCOCC2)s1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 333444418 XCQYIAHMIPOXIL-MJBXVCDLSA-N 351.472 2.662 0 50 FFAA O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC2(CC1)C1CC3CC(C1)CC2C3 372776021 MUMZQPHPNLQOHM-NUVRTYOOSA-N 365.539 2.876 0 50 FFAA O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)NCc2cccnc2)CC1 373980818 JCPKEAGNMCSKCS-SFHVURJKSA-N 350.422 2.739 0 50 FFAA O=C(NCc1ccco1)c1cc(N2CCN[C@H](c3ccccc3)C2)ccn1 71759031 WVSFHFNSSMORIH-FQEVSTJZSA-N 362.433 2.756 0 50 FFAA C[C@@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)c1ccc2c(c1)OCCO2 172360690 KOPQYIKTDVTQEP-LLVKDONJSA-N 368.364 2.929 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)NCCc1ccc(F)cc1 72142007 TUUWRZPUUZFYCR-SFHVURJKSA-N 361.461 2.945 0 50 FFAA Cc1cc(C)n(CCCC(=O)N(C)Cc2nnc(-c3ccccc3)o2)n1 221170427 FBYTUVYYFIDGFT-UHFFFAOYSA-N 353.426 2.989 0 50 FFAA CN(C)c1ccc(CN2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)cn1 82160309 UQGZXSQLCHTPLA-UHFFFAOYSA-N 373.428 2.785 0 50 FFAA O=C(CCn1cc(Cl)cn1)N1CCCN(Cc2cccc(F)c2)CC1 82099652 GPZGYKMZOUESSW-UHFFFAOYSA-N 364.852 2.800 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCCn3nc([C@H](C)O)cc3C2)c1 220370995 VMBLWNLXKJAIHI-HNNXBMFYSA-N 367.453 2.537 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc3cc(C)oc23)C1 223929951 UDUNJVXJNFRMAZ-HDJSIYSDSA-N 354.410 2.521 0 50 FFAA Cc1nn2c(ncc3c(=O)n(CC(=O)O)ccc32)c1-c1ccc(Cl)cc1 40397643 OTRYYWNNUMAKHB-UHFFFAOYSA-N 368.780 2.758 0 50 FFAA Nc1nnc([C@@H](NC(=O)C2(N3CCCC3)CCCC2)c2ccccc2)s1 220390434 LACFBSCTTFBTKN-HNNXBMFYSA-N 371.510 2.735 0 50 FFAA CCOc1cccnc1C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 176418277 HAYBHESWGMMGBG-OAHLLOKOSA-N 355.438 2.888 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(c2nc(C)cnc2C)CC1 82120743 QXFKGEWKYHFFCH-UHFFFAOYSA-N 357.410 2.605 0 50 FFAA CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCC(F)(F)CC2)cc1 288430423 XYDDKEMNFHRGPG-UHFFFAOYSA-N 374.453 2.564 0 50 FFAA COc1cccc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)c1OC 82170838 LDNPJOMFQVMCOC-UHFFFAOYSA-N 367.449 2.785 0 50 FFAA CCOCC1(CNC(=O)c2cccc(-c3cncc(C(N)=O)c3)c2)CCC1 426697582 SSEDZHMQZYGGPY-UHFFFAOYSA-N 367.449 2.784 0 50 FFAA COc1ccccc1Cc1nc([C@H]2CNC(=O)C2)n(-c2ccccc2F)n1 96163437 BKEUBGZHOPIOJS-CQSZACIVSA-N 366.396 2.609 0 50 FFAA CNC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)C1 237220952 HXSAQEZJGYIEFG-AWEZNQCLSA-N 360.433 2.575 0 50 FFAA CC(C)CN1CCc2[nH]cnc2C12CCN(c1ccc(C(=O)O)cn1)CC2 91951172 UAQIYBAXVBFDDB-UHFFFAOYSA-N 369.469 2.513 0 50 FFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 97730284 NZKKZSUBNAHZBB-GOSISDBHSA-N 374.444 2.568 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cccc(Cn4cncn4)c3)C2)n1 426361926 KFGHVRPCXHTFPZ-SFHVURJKSA-N 365.441 2.619 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)cc2)n1 91690979 DOBZPXWKECKKEQ-UYAOXDASSA-N 352.482 2.714 0 50 FFAA CCCN1C[C@@H](NC(=O)C2(c3ccccc3)CCCC2)C[C@H]1C(=O)NCC 91320972 FJHWJTYEKOXBAN-OALUTQOASA-N 371.525 2.604 0 50 FFAA CCN(C)S(=O)(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 95511091 PFQUROGAQXKPQW-IBGZPJMESA-N 370.478 2.707 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCc1nc3c(s1)CCCC3)CC(=O)N2 91997179 CFSOCAUEBIXVSH-ZDUSSCGKSA-N 371.462 2.773 0 50 FFAA Cc1nc(CCNC(=O)c2ccc3cccc(F)c3n2)nc2c1CCC2 91350999 QKUFVCNGDGPSGM-UHFFFAOYSA-N 350.397 2.934 0 50 FFAA CN(C)[C@H](C(=O)N1CCCN(Cc2ccncc2)CC1)c1ccccc1F 95382706 PVKCNBDZIRQHTE-FQEVSTJZSA-N 370.472 2.558 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)nc12 91625479 HBLBJQVGFSRLCZ-UHFFFAOYSA-N 350.422 2.590 0 50 FFAA O=C(CCN1CCCCC1=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 97744908 KGTQIYHDOZBOTD-FCHUYYIVSA-N 366.461 2.980 0 50 FFAA Cc1nc(C)n(CCNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 95382516 GLBFCJLRJNSXRH-UHFFFAOYSA-N 368.407 2.567 0 50 FFAA O=C(NC1CC1)c1ccnc(N2CCC[C@H](OCc3cccnc3)C2)c1 96141696 RGLXMGPXYUGMIG-SFHVURJKSA-N 352.438 2.554 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 238020943 GFSLSLIVINFQFP-CABCVRRESA-N 361.344 2.848 0 50 FFAA CCCN1CCC(CC(=O)N[C@H](C(=O)O)c2cccc(F)c2F)CC1 95512272 VKSGSRNUGFJUFH-KRWDZBQOSA-N 354.397 2.719 0 50 FFAA O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2CO)cc1 95497766 ZMAYLJBLSSVNTB-IBGZPJMESA-N 367.449 2.648 0 50 FFAA CCc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F 238791262 VTFIPKHGDYOWRH-UHFFFAOYSA-N 356.806 2.941 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CCOC[C@@H]1CO 97785124 ZAWUQYGMTQSIAR-IBGZPJMESA-N 370.449 2.923 0 50 FFAA Cc1ccc(N2C[C@@H](NC(=O)c3c(C)oc4c3C(=O)CCC4)CC2=O)cc1 244673840 HWNWXARAPFTWLK-AWEZNQCLSA-N 366.417 2.951 0 50 FFAA COc1cccc([C@H]2[C@H](NC(=O)c3nnc(C)s3)CCN2C2CC2)c1 248597557 IKTUUSFTJVIGOL-CVEARBPZSA-N 358.467 2.563 0 50 FFAA Cn1cnnc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 180379739 RWXMFKGGYNVBBA-UHFFFAOYSA-N 354.332 2.559 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc(Cn2cccn2)c1 252522894 BJBVBNPOTJJRBK-NSHGMRRFSA-N 362.433 2.568 0 50 FFAA CN(C[C@H](O)c1ccccc1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 299763481 WIEOLASOSJQNDP-OALUTQOASA-N 356.397 2.705 0 50 FFAA O=C(CN1C[C@@H]2CC[C@H]1C2)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 299789271 YPSYSXCLXSNUNM-CJNGLKHVSA-N 356.445 2.892 0 50 FFAA CN1C[C@@H](CN(C)C(=O)Nc2ccccc2CCc2ccccn2)CC1=O 299791669 GBMRSPFDZJUFKI-INIZCTEOSA-N 366.465 2.809 0 50 FFAA O=C(CCCc1cn[nH]c1)NCc1ccc(C(=O)N2CCCCC2)cc1 299773439 BEAXHACJTNMJTQ-UHFFFAOYSA-N 354.454 2.675 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)Nc2ccc3c(c2)CC(=O)N3)c1C 299765896 CUQAFZXANXSGLF-UHFFFAOYSA-N 354.410 2.866 0 50 FFAA CC1(C)C[C@]1(C(=O)NCCc1nc(-c2cccnc2)n[nH]1)c1cccs1 670473817 JXLQEGQIFFEQJZ-LJQANCHMSA-N 367.478 2.955 0 50 FFAA O=C(Nc1cccnc1)[C@@H](c1ccccc1)n1c(O)nc2ccccc2c1=O 888089555 MXYJZUDPQPBFJU-GOSISDBHSA-N 372.384 2.725 0 50 FFAA O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 270992955 XBIXIMVGRUQWHK-AEFFLSMTSA-N 367.449 2.525 0 50 FFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 275219046 DBBKNUUCHOYTGZ-GFCCVEGCSA-N 371.764 2.676 0 50 FFAA CCc1nc(N[C@@H]2CCCN(c3nccnc3O)C2)c2ccsc2n1 275410562 DCIZMUSRLIONDR-LLVKDONJSA-N 356.455 2.830 0 50 FFAA Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccccc3N)c2)n1 170599874 CCCJCGAZRGSTBS-UHFFFAOYSA-N 370.478 2.609 0 50 FFAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CC[C@](O)(C(F)(F)F)C1 187239499 YXPAQUIDRDOACD-MRXNPFEDSA-N 365.311 2.962 0 50 FFAA O=C1NCCN(C(=O)c2ccccc2)[C@H]1c1ccc(OC(F)(F)F)cc1 190614139 JRVRYPZNNKZOQP-HNNXBMFYSA-N 364.323 2.899 0 50 FFAA CC[C@H](NS(=O)(=O)c1ccc(C(=O)NC)cc1)c1ccc(F)cc1 1191635225 MCKJMARIRURUBK-INIZCTEOSA-N 350.415 2.615 0 50 FFAA Cc1cnccc1N1CCCN([C@H]2CCC(=O)N(CC3CC3)CC2)CC1 1506415431 NVBLGFDXKVAUCT-IBGZPJMESA-N 356.514 2.693 0 50 FFAA O=C(NCCNc1cc(C(=O)N2CCCCC2)ccn1)c1ccc(F)cc1 1529180691 IQPCGWIBAOWCIE-UHFFFAOYSA-N 370.428 2.689 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1C(=O)O 216713261 BRARJDUYFONTOL-CVEARBPZSA-N 361.829 2.562 0 50 FFAA Cc1cc(C(=O)N2CCCN([C@@H](C)CCn3cccn3)CC2)cc(C)n1 1775982868 ZGPHJLMNTXIPQL-SFHVURJKSA-N 355.486 2.522 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 11838299 QXJRPCWOJRPOFM-QGZVFWFLSA-N 361.530 2.548 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 11880046 XBBDOJVWYSCUDN-MRXNPFEDSA-N 372.469 2.826 0 50 FFAA COc1ccc(Cn2nccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 12323256 APUSYYSZKQUHEH-SFHVURJKSA-N 365.389 2.719 0 50 FFAA CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1ccc(F)c(F)c1)CC2 14533737 PBVDQUDSLXQJHD-UHFFFAOYSA-N 365.424 2.849 0 50 FFAA Cc1ccc2nc(N3CCC(C(=O)NCC(C)(C)CO)CC3)nc(C)c2c1 14878676 OHIOEWLAMYJJQI-UHFFFAOYSA-N 370.497 2.598 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1OC 15072682 FPEJVYJQJJQJQO-QGZVFWFLSA-N 368.433 2.763 0 50 FFAA CCCCNC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 19222437 UMZGXSRKRZWSEG-UHFFFAOYSA-N 372.557 2.983 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)NC(c2ccccc2)=NO3)cc1 169755038 HGTXQXJZEIHLJG-UHFFFAOYSA-N 351.406 2.609 0 50 FFAA O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1 169780307 MXFGZNKQNDRBPH-UHFFFAOYSA-N 350.344 2.894 0 50 FFAA COc1cc(Cl)cc(-c2nccn2[C@@H]2CN[C@H](CO)C2)c1OC(C)C 1857711341 UVGNFJKHAWGYRB-KBPBESRZSA-N 365.861 2.895 0 50 FFAA O=C1C[C@H]2N(Cc3cnn(-c4ccc5ccccc5c4)c3)CC[C@]23OCCN13 1857715823 JVEGQNZMRMJIPV-IRLDBZIGSA-N 374.444 2.559 0 50 FFAA COc1cccc(-c2ccccc2NC(=O)c2cn3c(n2)CCNCC3)c1 1857731959 VTQYGUAAAQYVPQ-UHFFFAOYSA-N 362.433 2.957 0 50 FFAA CCC[C@H]1COC[C@H]2CN(c3nc4c(C)cccc4cc3CO)CCN12 1875244747 SFICNHYULPZDMR-RBUKOAKNSA-N 355.482 2.725 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3nc4ccccc4o3)C2)N1Cc1cscn1 222557897 YBNBLPBWWGRQRI-OCCSQVGLSA-N 354.435 2.912 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 13791349 WISDMRXWOXXBCM-SECBINFHSA-N 351.255 2.604 0 50 FFAA O=C(CN1CCCCCCC1=O)NCCc1nc(-c2ccccn2)cs1 264602580 FOAGHVMEMLYITH-UHFFFAOYSA-N 372.494 2.657 0 50 FFAA CN(Cc1nnc(-c2ccco2)o1)[C@H]1CCN(c2ccccc2F)C1=O 264869579 ROLRMQDWCWGANF-AWEZNQCLSA-N 356.357 2.706 0 50 FFAA Cc1cc(CS(=O)(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)on1 864096772 FFPMYMSDDHQHAU-UHFFFAOYSA-N 372.487 2.837 0 50 FFAA Cc1sc2nc(CN3CCCC3)nc(N(C)[C@@H](C)CC(N)=O)c2c1C 1875275935 RPGHAXQYVAVNFI-NSHDSACASA-N 361.515 2.604 0 50 FFAA Cc1cc(CN[C@@H]2C[C@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)no1 1875398701 BMBCLKCCUPKODL-KFKAGJAMSA-N 352.438 2.776 0 50 FFAA O=C1N[C@@H](c2ccccc2Cl)C(=O)N1c1cn(Cc2ccccc2)nn1 1875336454 DXFRFEQAZFJVEM-INIZCTEOSA-N 367.796 2.777 0 50 FFAA COc1ccccc1[C@H](CNC(=O)[C@@H](C)[C@H]1CCNC1)N1CCCCC1 1875336115 SLGCEPDCBJCAEB-LNLFQRSKSA-N 359.514 2.584 0 50 FFAA COC[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1cnn(C)c1 1875310486 RHKOPOKKIBCUPZ-NSHDSACASA-N 365.846 2.643 0 50 FFAA COc1cc(C(=O)N2[C@H]3CC[C@H]2CN(CC2CC4(CCC4)C2)CC3)on1 1875408073 NUTNGDRWTOGOBM-HOTGVXAUSA-N 359.470 2.942 0 50 FFAA CN1C(=O)CC[C@H](CN[C@@H]2CCc3c(F)cccc32)[C@H]1c1cnn(C)c1 886026757 XMKUJXAPJGQBPW-YHBQJITHSA-N 356.445 2.746 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2)[C@H]1C(C)C 888094959 NQNYYCUVHNHGLI-ANTGDGSKSA-N 355.482 2.768 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)c(=O)n1C 896225809 IKKHMJLRUJIZHA-SECBINFHSA-N 353.304 2.568 0 50 FFAA CC1(C)OC(=O)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@]1(C)O 1421335 YHARNCZQWUODJF-OAHLLOKOSA-N 360.332 2.973 0 50 FFAA COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 2554869 GEPBDSVNOFOYCR-UHFFFAOYSA-N 372.450 2.879 0 50 FFAA Cn1c(=O)cc(C(=O)N2CCO[C@@](C)(C(F)(F)F)CC2)c2ccccc21 2325783051 WALXMPSWZFEKRP-QGZVFWFLSA-N 368.355 2.722 0 50 FFAA CC(C)(C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1)c1cscn1 2325789795 NXAZOVLJBRZSSJ-BFUOFWGJSA-N 372.446 2.510 0 50 FFAA COC(=O)Cc1c(C)c2cc(Cl)c(O[C@H](C)C(C)=O)cc2oc1=O 1111372 RVLQXEHKPXQZGV-SNVBAGLBSA-N 352.770 2.827 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1=O 2356136334 QHUXFKDOSHPADK-OAQYLSRUSA-N 368.433 2.800 0 50 FFAA O=C1COC2(CCN(c3ccnc4c(C(F)(F)F)cccc34)CC2)CN1 2356140105 UONNVUQHSUCAIY-UHFFFAOYSA-N 365.355 2.739 0 50 FFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN4CCC[C@H]4C3)sc21 20616007 HZPSKJBQLYBQCZ-VIFPVBQESA-N 358.389 2.574 0 50 FFAA CCOC(=O)c1cn(C[C@@H](C)n2cncn2)cc(Oc2ccccc2)c1=O 55269534 GCTUANNBLQZNNO-CQSZACIVSA-N 368.393 2.670 0 50 FFAA Cc1nnc(SCC(=O)N(C)CCc2nc3ccc(F)cc3[nH]2)s1 55134322 NEXFFLKWMZMTJO-UHFFFAOYSA-N 365.459 2.655 0 50 FFAA CC(C)(C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCNC1 225534417 RFEFKRHZZBFSAT-LSDHHAIUSA-N 358.404 2.881 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)N[C@@H](COc2ccccc2F)C(C)(C)C)C1 112251797 WTPFBGFZSLJVJF-QAPCUYQASA-N 364.461 2.994 0 50 FFAA O=S(=O)(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc(F)cc1 2779316 XVMZIEWAGLTOOY-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA COCCn1c(C)cc(C(=O)CN2C(=O)COc3ccc(C)cc32)c1C 9420593 OSFWPZRMBAYXQU-UHFFFAOYSA-N 356.422 2.668 0 50 FFAA COc1cccc(CN2CCN(c3ncccc3Cl)C[C@H]2CCO)c1 106991889 ITVPJANBSZBNLT-MRXNPFEDSA-N 361.873 2.817 0 50 FFAA O=C(CN1CCCCCC1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67756613 OYEKXTSYFLKFTR-UHFFFAOYSA-N 356.445 2.789 0 50 FFAA CCc1nnc(CN(C(=O)[C@H]2COc3c(cccc3OC)C2)C(C)C)o1 65509333 RQMTTWRKKIYWRQ-CQSZACIVSA-N 359.426 2.629 0 50 FFAA Cc1ccc2cc([C@@H]3CC(=O)NCc4nc5sccn5c43)c(=O)[nH]c2c1 65488998 MMZWWUMLCCHYFL-LBPRGKRZSA-N 364.430 2.698 0 50 FFAA CC[S@](=O)CCc1nc(CC(C)C)nn1-c1ccc2c(c1)OCCO2 65383493 JCESBDGEMSHYSK-RUZDIDTESA-N 363.483 2.548 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC(O)(c2cccnc2)CC1 65410367 NIRWWLYPLLPURJ-UHFFFAOYSA-N 365.477 2.653 0 50 FFAA Cc1[nH]c(C(=O)N2CCC(CC(=O)O)CC2)c(C)c1C(=O)OC(C)C 34927242 IDAKFOPXMUZHIA-UHFFFAOYSA-N 350.415 2.524 0 50 FFAA Cc1[nH]cnc1CN1CCc2[nH]cnc2[C@H]1c1cc2c(cc1Cl)OCO2 67956498 ZWACPSMIALKLCR-GOSISDBHSA-N 371.828 2.971 0 50 FFAA Cc1cnn([C@H](C)c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)c1 2808531 OLFCBLFKHWYZLR-CQSZACIVSA-N 365.466 2.915 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCN2CCCC2=O)cc1 77504702 AJTCDVYNSUEKLW-IBGZPJMESA-N 357.498 2.814 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77554541 CGMCARPPFKYZIP-FQEVSTJZSA-N 357.425 2.916 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)CCO1 328595279 PZWFEKKJSPBYNS-IPJDOKCGSA-N 361.394 2.740 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2nc3cc(F)ccc3o2)CC1 328645147 SAAYQPIWSSQCHQ-CQSZACIVSA-N 370.432 2.830 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1 130735358 KMPOJNKQZCYKPA-STQMWFEESA-N 360.483 2.614 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2CC(=O)Nc2cnn(C)c2)cc1 72152821 RCCIQZVDCMDEQQ-LJQANCHMSA-N 355.486 2.647 0 50 FFAA CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1OCCc2ccccc21 153396854 OYLOPLMVTNQOQB-HXUWFJFHSA-N 354.450 2.596 0 50 FFAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCCc1cccc2ccccc12 72412138 ZYWDCWJYZOILCU-FQEVSTJZSA-N 351.494 2.572 0 50 FFAA C[C@H]1COc2ccccc2CN1C(=O)c1ccc(N2CCNC2=O)cc1 374663190 MDOYTXOMCNRMLK-AWEZNQCLSA-N 351.406 2.640 0 50 FFAA Cc1noc([C@@H]2COCCN2C(=O)CCc2ncc(-c3ccccc3)o2)n1 155370520 SVSAENPUGLLQMT-HNNXBMFYSA-N 368.393 2.566 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC(N3CCSCC3)CC2)c1 216445486 VJAIUJAJBNRCNG-UHFFFAOYSA-N 372.538 2.894 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)CCCc3nccn3C)cc2)n1 72467877 CDDGABFBDJKXBW-UHFFFAOYSA-N 365.481 2.987 0 50 FFAA O=C(O)c1ccc(CC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 448986840 WJXOHKZQKLNOJN-UHFFFAOYSA-N 372.465 2.615 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(C)s3)ccc21 77470174 XRPZNHFQAXNRQW-UHFFFAOYSA-N 359.451 2.666 0 50 FFAA C[C@@H](CCn1cccn1)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72409757 VADJYDBMVAWJML-KRWDZBQOSA-N 354.502 2.932 0 50 FFAA O=C(NC[C@H]1CCC[C@H](O)C1)NC1CCN(CCc2ccccc2)CC1 173740764 ZQXMAFXISVZCKY-ICSRJNTNSA-N 359.514 2.544 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3cccc(F)c3)nc(C)n2)n1 82230325 WSJXUTADYNLNSD-UHFFFAOYSA-N 368.416 2.569 0 50 FFAA O=C(CCN1CCCCCC1=O)NCCc1nccc(-c2ccccc2)n1 221318045 DDGNHZBXACRSJN-UHFFFAOYSA-N 366.465 2.595 0 50 FFAA O=C(Cn1sc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 40283592 LMZFYHJBGIRNSR-UHFFFAOYSA-N 351.431 2.903 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(-c3ccccc3F)o1)C2 82121359 ALHKAPOSBNPOFV-UHFFFAOYSA-N 368.412 2.934 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCc2ccccc2O1 221239234 MPMDREWHBUQWOB-LJQANCHMSA-N 350.418 2.823 0 50 FFAA Cc1ccc(CN(CCO)C(=O)NCc2nc(C)c3c(n2)CCCC3)s1 426410710 NVPBCOSVUNDZPH-UHFFFAOYSA-N 374.510 2.738 0 50 FFAA Cc1ccn2c(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)nnc2n1 426633888 LNIMWPPEFZMNIH-CQSZACIVSA-N 369.400 2.503 0 50 FFAA Cc1cccnc1[C@@H](NC1CCN(c2ncnc3[nH]cnc23)CC1)C1CC1 96139857 ZIJGNHLDOWJVCD-KRWDZBQOSA-N 363.469 2.766 0 50 FFAA CSCCc1nc(C2(C(N)=O)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 95506724 VLKZFAONYZQQEX-UHFFFAOYSA-N 371.293 2.997 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1cccc(Cl)c1Cl 426497387 UIDXAWGDWOADMC-LBPRGKRZSA-N 367.280 2.973 0 50 FFAA Cc1ccc(CN(CCO)C(=O)NC[C@H]2CCCN(C(C)C)C2)s1 426383197 ZEPYMNXXFLZFSF-MRXNPFEDSA-N 353.532 2.681 0 50 FFAA COCC[C@@H]1COCCN1C(=O)Cc1csc(-c2ccc(C)cc2)n1 291281823 UWCCMQHVDNGPMD-QGZVFWFLSA-N 360.479 2.925 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)Nc2cc(-c3ccccn3)nn2C)n1 97757817 MIDDCRCPFPSXLV-LBPRGKRZSA-N 369.429 2.946 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N(CC(=O)O)C3CCN(C)CC3)[nH]c12 95508789 PGPYNZJLLSPAGK-UHFFFAOYSA-N 357.454 2.714 0 50 FFAA COc1nccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1 95361403 QOAMNIARXBEKPQ-ZDUSSCGKSA-N 356.455 2.571 0 50 FFAA CCc1nc(CCNC2CCN(c3nc(C)nc4sccc34)CC2)no1 96163835 QBLXWMITTOYIEF-UHFFFAOYSA-N 372.498 2.746 0 50 FFAA O=C1C[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)C2(CCCC2)O1 97547810 DUDMHQNMCYWYFP-OAHLLOKOSA-N 357.406 2.782 0 50 FFAA Cc1c(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)[nH]c2ccccc12 97797452 ZHNNMMKVJNCFTH-SFHVURJKSA-N 351.381 2.929 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1ccccc1-c1nc(CC)no1 96140730 PKNHTJXGDZBMGH-UHFFFAOYSA-N 355.402 2.622 0 50 FFAA CSCC[C@H](CO)NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 252507344 WIQCRPUWWRFGQG-OAHLLOKOSA-N 370.478 2.507 0 50 FFAA COCc1noc([C@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)n1 181510884 LXUWVBHQGIMWML-NSHDSACASA-N 356.879 2.810 0 50 FFAA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253413110 TUUFGXFEYRBKRK-CYBMUJFWSA-N 370.357 2.908 0 50 FFAA biogenic Cc1ncsc1CCNC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1 534651184 WEAMSNDEZHKYSU-UHFFFAOYSA-N 367.478 2.947 0 50 FFAA CC1CCN(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CC1 534661632 UJNQFXGXQUUDEU-OAQYLSRUSA-N 373.541 2.744 0 50 FFAA O=C(NC1CCN(c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 299760235 IGVJHUQCYBHVMG-UHFFFAOYSA-N 350.344 2.894 0 50 FFAA CCCc1nc(C)cc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)n1 299764043 QWYIWJHTNZVCGZ-UHFFFAOYSA-N 356.474 2.544 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cnc(CN2CCCC2)s1 299802645 UURMHGPTBOAELY-HNNXBMFYSA-N 357.479 2.815 0 50 FFAA CN(Cc1n[nH]c2c1CCC2)C(=O)NCCCc1nc2ccccc2o1 827887611 RVFWKCWRJFLVEW-UHFFFAOYSA-N 353.426 2.814 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCCCN2CCC[C@H](C)C2)CC1 584893723 AJBYXWDPOZZJAK-SFHVURJKSA-N 373.545 2.734 0 50 FFAA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)c1ccccc1N1CCOCC1 952988746 OTSHKIWRPLMRRZ-SFHVURJKSA-N 371.525 2.908 0 50 FFAA Cc1cc(C[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2O)on1 1615737620 ONKKZLNQNPBLGL-NHYWBVRUSA-N 354.328 2.677 0 50 FFAA O[C@H]1CN(C2CCN(c3ccc(F)c(F)c3)CC2)C[C@H]1Cc1ccncc1 1529155702 ZCPAFCMPFIJLFV-IERDGZPVSA-N 373.447 2.864 0 50 FFAA CCCn1nccc1NC(=O)[C@@H](C(C)C)n1cnc2ccccc2c1=O 1529147387 YJENNZBLGFONDN-QGZVFWFLSA-N 353.426 2.839 0 50 FFAA COc1ccc(CCNC(=O)CN2CCC[C@@]3(CCC[C@H]3OC)C2)cc1 1704313405 MHCGLLSXIPCZKQ-CTNGQTDRSA-N 360.498 2.635 0 50 FFAA CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)C1 5510358 WJULDALUBFMPGG-AEFFLSMTSA-N 372.465 2.717 0 50 FFAA O=C(c1cscn1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 11934032 KWFINCZQWBEUJO-LJQANCHMSA-N 373.453 2.937 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCc1ccccc1 11934230 QGKLTUMGWSEXQY-HXUWFJFHSA-N 360.404 2.608 0 50 FFAA CCCC(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11980026 LHIIIBAQZLWXLX-KRWDZBQOSA-N 373.474 2.977 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3ccccc3OC(F)F)C2)C1=O 12585748 DRCMNZMQRJKYCW-LJQANCHMSA-N 368.424 2.749 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(c1ncccn1)C2 12708891 JLWBITFWOYCFJW-NRFANRHFSA-N 350.466 2.928 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)[C@H]1CC(=O)N(c2nccs2)C1 1857668386 HMUPJMBSYWSKKS-HNNXBMFYSA-N 366.446 2.703 0 50 FFAA Fc1cccc(-c2n[nH]cc2CN2CC[C@@]3(C2)CN(CC2CC2)CCO3)c1 1857695073 SHFYEEBSYFKIJD-OAQYLSRUSA-N 370.472 2.903 0 50 FFAA CC(C)C[C@@H](C(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100971770 NLCPOHSSOCXNRV-YECZKDOJSA-N 352.434 2.847 0 50 FFAA Clc1ccccc1[C@@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)CCO1 333282217 PQVYLOMBULBTTQ-YOEHRIQHSA-N 374.872 3.299 0 50 FFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1CCC(=O)NC1 333743172 YKGLSYMINUUYAV-DVOMOZLQSA-N 350.846 2.545 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 237504813 GGEYFAWHHXHYTM-BDAKNGLRSA-N 356.797 2.859 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](CO)CCCCNC(=O)OCc1ccccc1 16697209 MLAPMZGXJGUYNO-MRXNPFEDSA-N 366.458 2.969 0 50 FFAA in-vitro Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1C(=O)N1CCOCC1 470454431 YKRHAQHPLUKPNK-UHFFFAOYSA-N 359.813 2.768 0 50 FFAA COc1ncnc2c1CN(C(=O)NCC1(Cc3ccccc3)CCC1)CC2 154536697 RIEVJMRKALUTDR-UHFFFAOYSA-N 366.465 2.966 0 50 FFAA Nc1ncc(CN2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704327249 QNGWMXXPULUCFI-JOCHJYFZSA-N 372.476 2.996 0 50 FFAA Cc1nnc(C(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)s1 840927848 FKSKGLKCURZZRV-AWEZNQCLSA-N 353.394 2.711 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 861562552 RLDIKQVIAMAPCT-MRXNPFEDSA-N 358.335 2.747 0 50 FFAA Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn(C)nn1 952853124 OQSWGLJRFZKPOH-SJLPKXTDSA-N 357.458 2.655 0 50 FFAA Cc1ccnc(Nc2cccc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3N)c2)n1 1875350073 ZPTFMVIVYZUDAZ-RTBURBONSA-N 359.433 2.883 0 50 FFAA C=CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)CC1 1875383010 BUEQZRZAKYKCPM-AVYPCKFXSA-N 362.445 2.665 0 50 FFAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(O)c(F)c2)c(F)c1 1875324710 JRQXQLBCWNUEDH-VIFPVBQESA-N 355.362 2.517 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)NCc1nc(Cc2ccccc2)no1 2100482238 KIOZAEZVABQNDD-UHFFFAOYSA-N 352.394 2.814 0 50 FFAA Cc1c(NC(=S)NC(=O)C2CCCCC2)c(=O)n(-c2ccccc2)n1C 1158605 QJMHREDPJVDLKA-UHFFFAOYSA-N 372.494 2.878 0 50 FFAA C[C@H]1Cn2nc(C(=O)Nc3ccc(OC(F)F)c4cccnc34)cc2CN1 2325795543 LWGHXEOPBFDLGE-JTQLQIEISA-N 373.363 2.777 0 50 FFAA NCc1nc(C(=O)N2CCC(c3nccc(-c4ccccc4)n3)CC2)co1 2325800796 GFDJSMCEIBOUQW-UHFFFAOYSA-N 363.421 2.610 0 50 FFAA O=C(CN1C(=O)COc2ccccc21)Nc1cc2c(Cl)n[nH]c2cc1F 2325854446 FAFFKTUFANHBPL-UHFFFAOYSA-N 374.759 2.720 0 50 FFAA Cn1nc(C2CCC2)cc1C(=O)N1CCCC[C@@H]1c1ocnc1C(=O)O 2325863019 QOGCVFVVPGOORF-CYBMUJFWSA-N 358.398 2.741 0 50 FFAA COc1ccc(-c2nc([C@H]3C[C@H]3C)n(-c3ccnc4c3cnn4C)n2)nc1 2325865953 VNDQECPTUDRAKW-YPMHNXCESA-N 361.409 2.743 0 50 FFAA N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)c1ccco1 858724 OYYQYLNVVTYEMS-UHFFFAOYSA-N 352.438 2.884 0 50 FFAA C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1158248 WPVBXADNPTZZIP-MRXNPFEDSA-N 372.490 2.965 0 50 FFAA Cc1cccc(N2C(=S)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 3644423 XIHSAOMCFUQERN-IAGOWNOFSA-N 358.488 2.772 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccc(Cl)c2)NC(=O)N1 4113630 WDIWUMHMCXIFGO-OAHLLOKOSA-N 352.818 2.936 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)Nc3nc(C)ns3)cn2)c1 55211307 FRWXGAQXMOLVJW-UHFFFAOYSA-N 358.427 2.705 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 101357963 ZMXYCMLPIJUOQE-GBOPCIDUSA-N 357.793 2.828 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 117273849 GEKLXSAJKHXQCQ-INIZCTEOSA-N 363.477 2.772 0 50 FFAA C[C@@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nc2c(s1)CCCC2 65495476 HUAOGHSITLBMQR-GFCCVEGCSA-N 359.499 2.545 0 50 FFAA Cc1ccc(C2(O)CCN(Cc3cnc(-c4ccccn4)nc3)CC2)nc1 67690711 RIQQTXGLUYRNST-UHFFFAOYSA-N 361.449 2.726 0 50 FFAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cnn(C)c3C)N3CCC[C@@]23C1=O 12004234 XHLVCZQUZSZXLL-VCOUNFBDSA-N 364.493 2.975 0 50 FFAA CCN(CC)c1ncccc1CNC(=O)c1cc2nc(C)cc(C)n2n1 67714291 INSLHFLETPMTIX-UHFFFAOYSA-N 352.442 2.517 0 50 FFAA CC(C)N1CCO[C@H](Cc2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)C1 65396629 ZYIVSEASYCYAPO-MRXNPFEDSA-N 370.453 2.525 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=S)cc1 2790162 QZAHJFGCZPGQRJ-KRWDZBQOSA-N 366.442 2.922 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 77505480 OOMWAWPWGLJJLK-IBGZPJMESA-N 374.868 2.726 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3nc(C)oc3C)C[C@H]2NC(=O)C2CC2)cc1 77521301 YCWFWXPDIUADKE-ZWKOTPCHSA-N 367.449 2.734 0 50 FFAA COc1cccc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)n1 171212449 FVIHVGSJMOYOLG-UHFFFAOYSA-N 370.453 2.567 0 50 FFAA Cc1cc2ncn(C[C@@H](O)CN3CC[C@H](Oc4cccnc4)C3)c2cc1C 152268256 QKNIUMNCZJVGQY-HKUYNNGSSA-N 366.465 2.562 0 50 FFAA CN(C[C@@H](O)Cc1ccccc1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328635592 NMHAEDSLZJEQMM-CVEARBPZSA-N 367.415 3.000 0 50 FFAA Cc1ccc(CCC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)o1 328629377 OUFVATWFCUQBOD-SFHVURJKSA-N 370.453 2.511 0 50 FFAA CC(C)c1cccc(OCC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c1 363491640 WAQJZPNCWUUDFW-DFQSSKMNSA-N 360.498 2.899 0 50 FFAA c1ccc(N2CCOCC2)c(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 375412750 IMKDIHCNUAOAFS-QGZVFWFLSA-N 354.454 2.773 0 50 FFAA CCCc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)no1 77487461 FJVALLJTTSLGEY-UHFFFAOYSA-N 353.466 2.942 0 50 FFAA CC(C)N1CCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)Cc2ccccc21 369655529 PDDZCZDGAIGRDM-MRXNPFEDSA-N 354.454 2.784 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 77454563 FOFHJUKECZHVQD-GOSISDBHSA-N 359.857 2.816 0 50 FFAA O=c1c(NCc2ccc(Cl)cc2)c(NCc2ccc3c(c2)OCO3)c1=O 218270394 HTRRKXPIKYSLSF-UHFFFAOYSA-N 370.792 2.889 0 50 FFAA CC(C)c1ncc(Cl)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)n1 236625293 JMMROEJKQUBQTR-CQSZACIVSA-N 359.813 2.905 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)cn21 333177516 PBKSWHVEGFOKIU-CKEIUWERSA-N 365.499 2.503 0 50 FFAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3ccccn3)C2)c1OC 77338274 ZCYVHZQICDCNJR-INIZCTEOSA-N 369.465 2.741 0 50 FFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72129185 RESMLKUFEZQOLG-QFIPXVFZSA-N 373.412 2.654 0 50 FFAA OC[C@H]1CN(Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@H]1O 414558667 NKMOZHLSKSEVOA-SJLPKXTDSA-N 369.490 2.776 0 50 FFAA C[C@H](CNc1nccc(-c2cc(C(=O)O)ccn2)n1)Oc1cccnc1 72418281 HJMWEDHSASRESR-GFCCVEGCSA-N 351.366 2.511 0 50 FFAA COCCOc1cc(C)ccc1CNC(=O)N1C[C@@H](C)OC(C)(C)C1 129730166 MXNSJBRLVCWXDY-OAHLLOKOSA-N 350.459 2.729 0 50 FFAA Cn1cc2c(n1)CCC[C@H]2NC(=O)C1(c2cccc(F)c2)CCOCC1 282771727 KQBRGWNDOQLCGP-QGZVFWFLSA-N 357.429 2.801 0 50 FFAA Cc1ncccc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 19836978 CTPGPTQCNGTUEU-QGZVFWFLSA-N 351.454 2.559 0 50 FFAA Cn1cc([C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C2CC(O)C2)cn1 222692478 OCOCJPDAZFZZRC-RRWXTXHCSA-N 368.481 2.652 0 50 FFAA O=C(NCCc1cscn1)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223472442 ZQZXERVCSLQKSZ-LLVKDONJSA-N 370.400 2.742 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(c2ncnc(C)c2C)CC1 82099616 XVKWIFGHOUIZJL-UHFFFAOYSA-N 357.410 2.605 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1ccc2sccc2c1 426538477 VPCYVSKPFINSEV-MRXNPFEDSA-N 354.479 2.881 0 50 FFAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2ncccc2C(N)=O)c1 426612581 HPBVPPZBFVZGSZ-KRWDZBQOSA-N 367.449 2.879 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc(=O)[nH]1 82147457 RMWNOCPUBCUDCD-AWEZNQCLSA-N 350.422 2.590 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3cc(-c4ccccn4)no3)C2)n1 426574810 FRTYPPZYRRXLQY-OAHLLOKOSA-N 366.425 2.707 0 50 FFAA CC(C)c1nccn1CCCNC(=O)N1CCC[C@H](c2ccncn2)C1 426640326 BWVUPQUHCHLEJQ-INIZCTEOSA-N 356.474 2.776 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 95384382 PBOAHRFWNVAKMG-DLBZAZTESA-N 364.449 2.550 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)NC[C@@H]1CCN(C)C1 426683995 WYMMCKPGFPXVGG-KRWDZBQOSA-N 355.482 2.950 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)n[nH]1 92098208 XDKFQOQSXIBSFC-CQSZACIVSA-N 352.442 2.637 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1cccc([C@@H]2CCCNC2)c1 95380710 VDIIZAXDKMWBFV-GOSISDBHSA-N 363.465 2.559 0 50 FFAA CN(C)c1ccc(CN2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cn1 91617046 UTAZCDCPPYQOFX-NRFANRHFSA-N 356.514 2.905 0 50 FFAA C[C@H](N)[C@H]1CCCCN1C(=O)COc1ccccc1OCC(F)(F)F 237537758 HGNSHVFHEVLYCT-QWHCGFSZSA-N 360.376 2.735 0 50 FFAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC(Oc2ccccc2Cl)C1 92019557 RTBIRZKUIUCCBJ-ZDUSSCGKSA-N 362.857 2.721 0 50 FFAA O=C(c1ncccc1O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95383241 NKPDSNIPUMXOOT-CYBMUJFWSA-N 369.450 2.508 0 50 FFAA O=C(c1ccc[nH]1)N1CCC2(CCN(Cc3ccccc3)CC2)[C@@H](CO)C1 97594745 BANOHIMKGCVSFG-LJQANCHMSA-N 367.493 2.752 0 50 FFAA CCc1ncc(-c2nc(CC3CCN(C)CC3)nn2CC(F)(F)F)cn1 96135890 OGVKSEYHPVYQBK-UHFFFAOYSA-N 368.407 2.744 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N[C@@H](c3nccn3C)C(C)C)c(=O)[nH]2)cc1 91859659 UGZWAUQLQJVDRP-MRXNPFEDSA-N 365.437 2.606 0 50 FFAA COc1ccc(CC(=O)N2CC(Oc3ccccc3OC)C2)c(OC)c1 92003072 NANWIBZKDVKXBY-UHFFFAOYSA-N 357.406 2.545 0 50 FFAA Cc1ccc(F)cc1CC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95497723 NVEZWHWFJXZJLQ-KRWDZBQOSA-N 372.488 2.841 0 50 FFAA COc1cncc([C@H](NC(=O)CC2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)c1 244852944 VCKRJDLPIRKULX-ZWCUEREDSA-N 366.461 2.824 0 50 FFAA COC[C@@H](O)CN1CCC(N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 180209391 ZYYMMWSMXOCOFW-OALUTQOASA-N 352.906 2.852 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)[C@H](C)n1c(=O)oc3ccccc31)nn2C 252480669 CCABTVTWTYAUGE-ZDUSSCGKSA-N 364.405 2.667 0 50 FFAA Cc1cc(C)n2c(C(=O)N3CCC(Oc4ccccc4F)CC3)nnc2n1 252487723 IASYNXQDLDBSRZ-UHFFFAOYSA-N 369.400 2.564 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)NCc2nc(-c3ccncc3)n[nH]2)c(C)s1 534651041 NWIYHUIEMQPDAI-SNVBAGLBSA-N 371.470 2.843 0 50 FFAA CCCn1cnnc1[C@@H](C)NC(=O)N(C)Cc1nc2cccc(C)c2[nH]1 534669725 PJTCRCSNPXKORW-CYBMUJFWSA-N 355.446 2.775 0 50 FFAA Cc1nc(C)n(CCCNC(=O)N(C)CCn2c(C)cc3ccccc32)n1 534632462 MRIDTAZLDRJGTP-UHFFFAOYSA-N 368.485 2.890 0 50 FFAA COc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)cc1F 263619584 ZKMUJFHPMTXKLO-KRWDZBQOSA-N 368.368 2.950 0 50 FFAA O=C(NCc1ccccn1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263617970 QSDAMHKUMDRXQT-INIZCTEOSA-N 369.812 2.528 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CCO1 534586301 SJCQDIKESFLTNP-GOSISDBHSA-N 363.421 2.580 0 50 FFAA COc1ccc(CCC(=O)N2CCCN(C(=O)C3CCCC3)CC2)cc1 75017830 ULJYXZOLCCFYHN-UHFFFAOYSA-N 358.482 2.879 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)c3cnc4cnn(C)c4c3)C2)c1OC 1940196476 NXWHIKYBDDDRAH-CYBMUJFWSA-N 366.421 2.615 0 50 FFAA COc1ccc(OC)c(NC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 299760211 STHCACWMDYNRBQ-CQSZACIVSA-N 371.441 2.532 0 50 FFAA CCc1noc([C@H](C)NC(=O)CCc2nc(-c3ccccc3F)no2)n1 823569474 OLWJULMDCLCRCY-JTQLQIEISA-N 359.361 2.631 0 50 FFAA CC(C)C1=NO[C@@H](C(=O)N2CCN(c3nsc4ccccc34)CC2)C1 952872063 HMXYANJJWCHEMJ-OAHLLOKOSA-N 358.467 2.746 0 50 FFAA CN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2ccsc2c1=O 170618102 HTLOAAUBOIIOIC-UHFFFAOYSA-N 353.856 2.832 0 50 FFAA Cc1cc(C(C)C)nc(N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 186862228 BJIOPUAIMDRTSA-UHFFFAOYSA-N 371.460 2.808 0 50 FFAA C[C@H]1C(=O)N2CCC[C@H]2CN1c1nc2c(c(C(F)(F)F)n1)CCCC2 1772703939 JBYIKRQNXFBAOG-QWRGUYRKSA-N 354.376 2.574 0 50 FFAA Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O 11878777 QXGRGGVIKVLMRK-ZDUSSCGKSA-N 372.440 2.542 0 50 FFAA O[C@H]1CCCN(c2ncccc2CNCc2c(F)ccc(F)c2F)C1 12442539 ZMEQZELAGAFZMK-ZDUSSCGKSA-N 351.372 2.750 0 50 FFAA CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)C)c1=O 12456140 PDICNIHJQWWZNI-CQSZACIVSA-N 361.486 2.878 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cnccn2)C1 12459179 AEDBTGKSNXGTCV-OAQYLSRUSA-N 367.449 2.813 0 50 FFAA CCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12587631 KUKIJUHGUVIWHK-HXUWFJFHSA-N 367.493 2.789 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)N2CCCC2)C1 12760795 JIKGIEUZYZHXMH-MRXNPFEDSA-N 372.465 2.728 0 50 FFAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccncc2)C1 14539211 DJSXBAKJOJSMGC-WOJBJXKFSA-N 358.530 2.532 0 50 FFAA CC1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCC3)ccc2F)CC1 16622215 GGPZJNOWHTXRBZ-UHFFFAOYSA-N 368.474 2.919 0 50 FFAA OCC[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1C1CCCC1 19789845 ORIHCXAVTNZGLD-OAQYLSRUSA-N 372.488 2.823 0 50 FFAA CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860069 DJDNUZNWJGNYHS-UKRRQHHQSA-N 372.918 2.797 0 50 FFAA CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772760 MDWQDWLYJMRUMT-CYBMUJFWSA-N 364.405 2.953 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c2ccc(C)c(C)c2n1 1857729096 VOBPIRDXTWYONU-JZJXAQOMSA-N 366.461 2.772 0 50 FFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CNC(=O)c1ccccc1 117250544 AOZSJDSTGMGLSI-SFHVURJKSA-N 352.434 2.795 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCC(c2ccn[nH]2)CC1 125501213 BKGXYUUDFXMUPT-GOSISDBHSA-N 372.444 2.709 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1ccccc1 247884214 WOJUXEMQCMPEOX-QUCCMNQESA-N 363.461 2.777 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccc2c(c1)OCCO2 248071381 YILKCWPVRNRMOF-MSOLQXFVSA-N 368.481 2.586 0 50 FFAA C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](C(=O)O)C1 136165424 OWPOGKFKAKTOGA-GHMZBOCLSA-N 356.216 2.540 0 50 FFAA O=C(CN1CCC(CO)CC1)Nc1ccc2nc(-c3ccccc3)cn2c1 1875295354 HNBSILXQGVEXHP-UHFFFAOYSA-N 364.449 2.644 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875306723 MMCNZHDYIKJWRV-QCEMKRCNSA-N 371.399 2.930 0 50 FFAA CCc1nn(Cc2ccccc2)c(CC)c1CNC(=O)/C=C/CN(C)C 1875376851 KPCVKJLGJBJGLC-JLHYYAGUSA-N 354.498 2.790 0 50 FFAA CC(=O)N1CCC2(CCc3ccc(OC[C@@H]4C[N@@]4CC4CC4)cc3O2)CC1 1875385040 LKBVPCVMLYEBCZ-YADARESESA-N 370.493 2.866 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCCc2cn(C)c3ncccc23)cc1 1875374045 YRIZKWNNNLFBLY-UHFFFAOYSA-N 362.433 2.695 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3ccccc3C(F)(F)F)C2)n1 888078927 JRZZHHQKPORAND-INIZCTEOSA-N 355.360 2.966 0 50 FFAA CCCN1CCC(N2CCN(c3ccnc(C(C)(F)F)n3)CC2)CC1 2325795993 KSDGVNIASQRBES-UHFFFAOYSA-N 353.461 2.585 0 50 FFAA CCC(=O)NC[C@@]1(C)CN(c2cc(Cl)nc(C(C)(C)C)n2)CCO1 2325868443 ZKJRCMAEGHDSIW-KRWDZBQOSA-N 354.882 2.549 0 50 FFAA CCOC(=O)[C@@H](NC(=O)C1(F)CCCC1)[C@H](O)c1ccc(Cl)cc1 862333679 OTDGQLDVJFGIAA-UONOGXRCSA-N 357.809 2.704 0 50 FFAA O=C(OCC1c2ccccc2-c2ccccc21)N1[C@H]2CNC[C@H]1COC2 148134105 GDCDPRYVALILIF-GJZGRUSLSA-N 350.418 2.608 0 50 FFAA O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)Cc2ccccc2)CC1 779562 XUWONGFKJGXWMM-UHFFFAOYSA-N 372.852 2.632 0 50 FFAA COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 1065533 KXJAUWYXDDCQEY-UHFFFAOYSA-N 355.843 2.878 0 50 FFAA Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)ccc1Br 1183541 XMXXRUFSOZVFPW-UHFFFAOYSA-N 373.206 2.992 0 50 FFAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O 4998784 CGQOGURMIRMKPG-NEPJUHHUSA-N 369.259 2.579 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)CCO2)c1 112062330 CLFRLBZDIUYVFU-SFHVURJKSA-N 366.465 2.923 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 112294619 KLMQWDPCSWNUBQ-RLLQIKCJSA-N 369.509 2.810 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)CC(=O)Nc1cc(C)cc(C)c1 55167279 JKCWRSVIPSBDAY-SFHVURJKSA-N 355.438 2.873 0 50 FFAA Cc1ccc(CN2C[C@H](C(=O)N(C)Cc3cc(C4CC4)[nH]n3)CC2=O)cc1 55358753 AYWHFPCDDYQYMW-QGZVFWFLSA-N 366.465 2.603 0 50 FFAA CC(C)(C)CN1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO 104558215 OOXANRWQODNHEU-LJQANCHMSA-N 363.546 2.659 0 50 FFAA CC(C)C(NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C 24606868 CUUZRQZWOPWCPY-CQSZACIVSA-N 372.556 2.946 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 67714219 QJAFBUOBVLTRNB-UHFFFAOYSA-N 369.465 2.545 0 50 FFAA C[C@@H](c1nnc(SCC(=O)O)n1-c1ccc(F)cc1F)n1cccn1 65398424 MEJSCZZKSZGXSS-VIFPVBQESA-N 365.365 2.528 0 50 FFAA COc1ccc(-c2noc(CN(C)Cc3n[nH]c4c3CCCC4)n2)cc1 20203929 BRKFLVRKLSJNCH-UHFFFAOYSA-N 353.426 2.979 0 50 FFAA C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](C(=O)N(C)C)C1 229755965 ORPKXORNZUFNAA-CRAIPNDOSA-N 353.466 2.967 0 50 FFAA CCn1ncc(Cl)c1C(=O)Nn1c(C)nc2sc(C)c(C)c2c1=O 2778642 GSUOAEGPAXKWNG-UHFFFAOYSA-N 365.846 2.637 0 50 FFAA O=C(CCc1cc(O)no1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77419675 FPZISDUBHFFUIT-AWEZNQCLSA-N 354.366 2.727 0 50 FFAA COc1ccccc1N1CCN(C(=O)Cn2nc(C)cc2C)CC1(C)C 77487942 PCTJRUUUIJCJBO-UHFFFAOYSA-N 356.470 2.636 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)c2c1 77470268 YHQMIEBMQJHWIW-OAHLLOKOSA-N 362.433 2.955 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3c(C)nn(C)c3C)C2)CCC1=O 77519955 DHLJCBMJACINNX-FQEVSTJZSA-N 360.502 2.682 0 50 FFAA CCOC1=N[C@]23CCC[C@]12[C@H]1C=C[C@H]3[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 216343046 FZYDUPOOUKIPED-QMRBFZRFSA-N 362.429 2.966 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CCc4c(nc(C)[nH]c4=O)C3)oc12 71750952 LKYDYJFVYQLCHF-UHFFFAOYSA-N 373.796 2.685 0 50 FFAA Cc1ccccc1[C@H](Cn1cnc2cn(C)nc2c1=O)N1CCC(C)CC1 72476942 BUPXBSPIJDGMGN-IBGZPJMESA-N 365.481 2.912 0 50 FFAA c1ccc(OCCNc2nc(-c3cccnc3)nc3c2CCNCC3)cc1 72481470 VQHOQMLIIIVSQD-UHFFFAOYSA-N 361.449 2.718 0 50 FFAA CCNC(=O)CN1CCN(Cc2ccc(SC3CCCCC3)o2)CC1 215497037 UZOLZHDCBBTSDS-UHFFFAOYSA-N 365.543 2.958 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)CN1CC1CC1 77323678 BWTZYIKCAZSPHY-NRFANRHFSA-N 370.497 2.543 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](C)Cc3cnccn3)c12 72418678 RBLRXURURNLIBF-LBPRGKRZSA-N 360.425 2.567 0 50 FFAA COCCN1C[C@H](Cc2ccc3c(c2)c2c(n3C)C(=O)CCC2)CC1=O 218834677 FIFPUMRWDNDGCQ-OAHLLOKOSA-N 354.450 2.735 0 50 FFAA O=C(Cc1csc(-c2cccnc2)n1)N1CCC(c2cnc[nH]2)CC1 378082889 JAYVLVMDLKAUQN-UHFFFAOYSA-N 353.451 2.877 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@H](O)c2ccccc2C1 378639477 UMGLFPBIAHXSNX-FQEVSTJZSA-N 352.434 2.603 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)no1 72156781 NTEUSSNRGBBXKZ-LBPRGKRZSA-N 364.396 2.552 0 50 FFAA CCOc1ccc(C(=O)NCCc2noc([C@H]3CCCO3)n2)cc1Cl 220290529 XMXYQRUTCRYXBH-CQSZACIVSA-N 365.817 2.946 0 50 FFAA C[C@@](CNC(=O)c1cccc([C@@H]2CCOC2)c1)(C(=O)O)c1ccccc1 263303821 DTZVROCBANKHOD-UTKZUKDTSA-N 353.418 2.963 0 50 FFAA COC(=O)c1ccc(N2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)cc1 82092688 YWNSQHXLINXZTO-UHFFFAOYSA-N 369.465 2.992 0 50 FFAA Cn1cc([C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C2CC(O)C2)cn1 223393035 YLTDMLCVYYXYOT-UAIPMZCESA-N 359.857 2.734 0 50 FFAA COc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c(F)c1 91635505 MHLFRJLIEQBKTL-NVXWUHKLSA-N 369.440 2.966 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@H]1c1ccc(C)o1 91818005 VUNUYYTUHFCBQA-IAGOWNOFSA-N 366.421 2.742 0 50 FFAA O=C(c1conc1-c1ccccc1)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91987210 BUUGJUDZJLABKB-IAGOWNOFSA-N 369.465 2.508 0 50 FFAA O=C(CCc1nc(-c2ccncc2)no1)N1CC[C@H](Oc2ccccc2)C1 426371089 ONNZHNARMXDPQI-KRWDZBQOSA-N 364.405 2.744 0 50 FFAA O=C1C[C@@H](C(=O)NCc2cc(-c3ccccn3)no2)c2cc(F)ccc2N1 91469030 XKUYSYOGHUOESJ-CQSZACIVSA-N 366.352 2.618 0 50 FFAA Cc1ccc(CCC2CCN(C(=O)CN3CC[C@H](C(=O)O)C3)CC2)cc1 178902813 FFPCLAVVPZBFNS-IBGZPJMESA-N 358.482 2.573 0 50 FFAA CC(C)c1nnsc1CNC(=O)Nc1cc(-c2cccnc2)nn1C 96151318 AAKIHQVLYBWHCB-UHFFFAOYSA-N 357.443 2.779 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)[nH]n2)cc1 91476032 XBOUWKZQDRJQBO-CYBMUJFWSA-N 353.426 2.717 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N(C)C[C@@H]3CCN(c4ccccc4)C3)c2n1 95359347 BJNUDXZKUDNZFP-KRWDZBQOSA-N 363.465 2.945 0 50 FFAA CCc1nc(C[C@@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)no1 95354438 PORWSWQSTYGKPC-GFCCVEGCSA-N 359.455 2.701 0 50 FFAA Cc1cc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)ccc1F 95354437 OVNSQTFPSRNJAP-QGZVFWFLSA-N 368.460 2.887 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CC[C@H](Cc2ccc(CO)cc2)C1 95356669 JRFNYNSFLDTDAZ-QGZVFWFLSA-N 353.418 2.655 0 50 FFAA Cc1ncc(C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c(=O)[nH]1 92028444 BJCXSQHOYFAGPU-OAQYLSRUSA-N 369.465 2.725 0 50 FFAA O=C(O)c1ccc(N2CCC(c3nccn3Cc3ccccn3)CC2)nc1 91551475 SHSHMJFLKMUNDG-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA C[C@@H](C(=O)Nc1ccccn1)N1CCC(CCC(=O)N2CCCC2)CC1 244724266 MQWCZXJXCDKMEL-INIZCTEOSA-N 358.486 2.523 0 50 FFAA O=C(CN[C@H]1CCCOc2c(Br)cccc21)NCC1CC1 181291492 YWJASKIEIVBMID-AWEZNQCLSA-N 353.260 2.779 0 50 FFAA Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@H]2[C@H](C)O)cc1F 245204394 AOETUOPIFXUJJP-SAKMYQHLSA-N 352.494 2.861 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2ccnn2-c2ccccc2)CC1 369215371 OMGTZEMYSUXQFH-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA Cc1cccnc1C[C@H](C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 584889432 LHMIBSYEBWDOHA-INIZCTEOSA-N 368.481 2.864 0 50 FFAA Cc1cnc2c(C(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cnn2c1 952980133 VLBYBMKTWMMIQS-UHFFFAOYSA-N 372.388 2.937 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N(Cc1cocn1)Cc1cocn1 952866868 GRWHQEFRBVNOAD-OAHLLOKOSA-N 370.409 2.697 0 50 FFAA Fc1cc(Cl)cnc1N1CCC2(CC1)CN(C[C@@H]1CCOC1)CCO2 952982603 ZLYJRPJWEJHLEZ-AWEZNQCLSA-N 369.868 2.582 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@H]1c1ccncc1 1565525808 AJPWIRQFHKPSJQ-CABCVRRESA-N 354.435 2.833 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)cc1C 1565529618 LGZVQAMNWVHPOG-HKUYNNGSSA-N 374.437 2.713 0 50 FFAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 270476059 DLGUGYZDMSKRMF-ZWKOTPCHSA-N 366.465 2.748 0 50 FFAA O=C1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[C@@H]2CCCC[C@H]2N1 894375036 IZSXGTZCIALAOI-CGEFAEBTSA-N 358.404 2.872 0 50 FFAA CN1CCC([C@H]2CCN(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)CC1 270085900 AXVSLHSEWNNTOW-SFHVURJKSA-N 368.485 2.522 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)C1=COCCC1 275572853 XRZJJEWGLSKHEB-GJZGRUSLSA-N 353.463 2.517 0 50 FFAA Cc1cc2occ(CC(=O)N3CCN4CCOC[C@@H]4C3)c2cc1C(C)C 170594649 CAJQNDJWPZZFQF-KRWDZBQOSA-N 356.466 2.950 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ncc[nH]1 170617837 XJHMXQLFVXRTPE-AWEZNQCLSA-N 356.426 2.636 0 50 FFAA O=C(N[C@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccccc2)CC1 170608115 VFBZTOUBQVQCJW-HXUWFJFHSA-N 363.461 2.603 0 50 FFAA C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 188134517 RXZWYMRHEHYAEF-NSHDSACASA-N 369.450 2.815 0 50 FFAA NC(=O)c1ccc(F)c(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 194942377 OVJKTGNXGDMVQS-INIZCTEOSA-N 355.413 2.775 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)n1 1506426652 PVLQRWBTNVTKCD-HDICACEKSA-N 370.497 2.557 0 50 FFAA Cc1ccoc1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 11704427 JTTQPFOOHLSMJA-HNNXBMFYSA-N 370.453 2.658 0 50 FFAA CCC(CC)CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1 12185927 NTWWLTSNHIFTTJ-MSOLQXFVSA-N 362.522 2.564 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@H](C)c3c(C)n[nH]c3C)n[nH]2)c1 12317576 LZYILOHBUOFPRD-LLVKDONJSA-N 369.425 2.828 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)Cn1ccnc1C 12317812 CPJIJDZSYGIMEY-OAHLLOKOSA-N 370.501 2.938 0 50 FFAA C[C@H](Oc1ccccc1)c1nnc(SCC(N)=O)n1-c1ccccc1 12384028 OXGPMKSGQAUXOK-ZDUSSCGKSA-N 354.435 2.985 0 50 FFAA CCOC(=O)N1CCN(CCC(=O)Nc2cccc(Cl)c2C)CC1 19530631 XNHLYYIOTKSEAL-UHFFFAOYSA-N 353.850 2.751 0 50 FFAA CN(C)C(=O)c1ccc([C@@H]2CCCN2Cc2cnn3cccnc23)s1 19939934 XNDGLPLVKHBYRE-AWEZNQCLSA-N 355.467 2.830 0 50 FFAA CCCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 169620111 NBEGDXYKLUBHOD-IKVWTGGYSA-N 371.433 2.715 0 50 FFAA Cc1ccnn1CCC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857682499 QXUHYHZKSGJNLT-UHFFFAOYSA-N 363.465 2.610 0 50 FFAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(c3ccncc3F)C[C@]23CC[C@H]1O3 1857732992 PXBLPTSERSCNGR-VXIWKAIFSA-N 373.472 2.901 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cccnc1 1857738322 CAHCYYLMICKZKK-FGTMMUONSA-N 357.841 2.679 0 50 FFAA Cc1ccc([C@H]2CN(Cc3cc(C#N)n(C)c3)C[C@@H]2NC(=O)C2CC2)cc1 216238665 KSKUZEPGWYRNLT-RTWAWAEBSA-N 362.477 2.699 0 50 FFAA COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 122730363 IMUXCJXQOFAWPW-UHFFFAOYSA-N 372.446 2.676 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn(C3CCNCC3)nn2)[C@@H]1c1cccc(F)c1 237532065 TXZQVJUJCDOSKW-ACJLOTCBSA-N 357.433 2.565 0 50 FFAA COc1cc(F)c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1OC 247869252 CGZQIMHAXXRVBL-ZBFHGGJFSA-N 362.445 2.676 0 50 FFAA CC(C)(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)S(C)(=O)=O 264898375 DVWWQTHGNSSVKP-SFHVURJKSA-N 357.475 2.984 0 50 FFAA COc1ccc(C2=NN(C(=O)[C@@H]3C[C@@H]3C(=O)O)[C@H](c3ccco3)C2)cc1 1875388470 CBCXGGWRAKQZPC-YCPHGPKFSA-N 354.362 2.687 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3-c3cnn(C)c3)n[nH]c21 1875393720 MACWZUAJZPJVBT-OLZOCXBDSA-N 365.437 2.762 0 50 FFAA C[C@@H](CCc1ccc(F)cc1)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886085414 OKKSGIUNBUWKTH-POZUXBRTSA-N 358.461 2.832 0 50 FFAA O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCN2CCOC[C@H]2C1 1320238095 NJEKMSCOJLHGSZ-MRXNPFEDSA-N 372.400 2.561 0 50 FFAA CCc1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1 818899 DHNHGLDVEZCSNK-UHFFFAOYSA-N 362.393 2.870 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(NCC(N)=O)cc3)cc2)c1C 2325824944 WRJJVKSYLQFPCT-UHFFFAOYSA-N 363.421 2.639 0 50 FFAA CO[C@H](CC(C)C)C(=O)NC[C@H]1CCCN1C(=O)c1occ2c1CCC2 2325828328 DPUHCJGXXZOGKP-NVXWUHKLSA-N 362.470 2.550 0 50 FFAA CC(C)=C(Br)CN1C(=O)N(C)c2ccccc2S1(=O)=O 2325867893 INWZONKOLQPMGQ-UHFFFAOYSA-N 359.245 2.936 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3ccc4cccnc4c3)C2)no1 2325870838 RHYOHWVJBQHSQZ-INIZCTEOSA-N 364.405 2.566 0 50 FFAA O=C(O)c1cc2ncc(-c3cc(F)ccc3OC[C@@H]3CCCO3)cn2n1 874969892 HVPSSOLMGGPVAE-ZDUSSCGKSA-N 357.341 2.791 0 50 FFAA O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 840865 VLRQRYZFXKCGDR-UHFFFAOYSA-N 374.462 2.879 0 50 FFAA Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)no1 1125401 VMIXTAWORWXLML-UHFFFAOYSA-N 351.318 2.625 0 50 FFAA COc1ccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 2383405 BJZQAMUVTQBTTM-UHFFFAOYSA-N 372.450 2.977 0 50 FFAA CCc1cc(N2Cc3nnc(C4CC4)n3[C@@H](C)C2)nc(N2CCCC2)n1 2356146054 PDAQPCRDAYSKSX-ZDUSSCGKSA-N 353.474 2.689 0 50 FFAA O=S(=O)(N1CCCCCC1)N1CCN(c2cccc(Cl)c2)CC1 4335353 ISIAVMQOZYLCDL-UHFFFAOYSA-N 357.907 2.583 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)s1 4736189 IZWOAHYKUVLJJR-UHFFFAOYSA-N 364.431 2.512 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(C)n3)cc2)c1 55940912 BKVSMQDCJXTQOF-UHFFFAOYSA-N 351.362 2.834 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)CC1 104543347 HCVYTHGRCYCBNN-OAQYLSRUSA-N 363.521 2.567 0 50 FFAA Nc1nnc(CCCNC(=O)c2cccc(-c3ccc(O)cc3)c2)s1 55090463 LRHUIWDDZLNASB-UHFFFAOYSA-N 354.435 2.856 0 50 FFAA Cc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)NCc1ccccc1-n1cccn1 102420032 GEIHHPBRVXZQBG-QGZVFWFLSA-N 360.417 2.923 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1 104528197 DAJGFWYZUQKPKP-HXUWFJFHSA-N 356.466 2.859 0 50 FFAA Cc1cc([C@H](C(=O)O)N2CCN(Cc3ncccc3C)CC2)ccc1F 55060801 FUEBTXLPJMMVHP-LJQANCHMSA-N 357.429 2.781 0 50 FFAA CCOc1ccccc1OCCN(C)C(=O)c1ccc2c(c1)OCC(=O)N2 55244626 BDASBNROBQFTEP-UHFFFAOYSA-N 370.405 2.567 0 50 FFAA Cc1csc2c(N3CCC(Cn4cc(C(C)(C)O)nn4)CC3)ncnc12 63870710 XZPNIIKEYNSQSE-UHFFFAOYSA-N 372.498 2.735 0 50 FFAA CN(C)C1(CNc2nc(-c3ccncc3)nc3c2CCNC3)CCCCC1 67769917 RKKCIPRFUITBOU-UHFFFAOYSA-N 366.513 2.861 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)N(C)CCC2(O)CCCC2)[nH]n1 67587196 AEHMOINZWXDGIV-UHFFFAOYSA-N 359.474 2.545 0 50 FFAA COc1ccnc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1 328608509 ZEOHHMQDDIRRTA-BFUOFWGJSA-N 356.426 2.791 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2O1)c1cc(COc2ccccc2)[nH]n1 67540403 HUPXPJDOQRJLQZ-MRXNPFEDSA-N 365.389 2.559 0 50 FFAA COCC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc2c(c1)OCCO2 65505639 JKTHVUNCJLMMBP-OAHLLOKOSA-N 368.389 2.517 0 50 FFAA Cc1nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C2CCNCC2)n1 67562828 BKTZJQHJIDMNPA-CYBMUJFWSA-N 374.510 2.829 0 50 FFAA COc1ccc(OC)c([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1 1427986 QFLFEPIHTAKQOB-OAHLLOKOSA-N 365.385 2.997 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)NCCc1noc([C@H]2CCCO2)n1 215851301 SJAVFZVDBCCKPE-CYBMUJFWSA-N 369.343 2.841 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 219286872 FUGYPUOROXGGJZ-ROUUACIJSA-N 350.890 2.720 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)C2 252679125 IDDBTYZKTAYXMG-WLNNIECUSA-N 355.482 2.761 0 50 FFAA O=C(c1cn(CCN2CCCCC2)nn1)N1CCCC[C@H]1c1cccnc1 12315103 XPJFLMDLOBJMSS-IBGZPJMESA-N 368.485 2.526 0 50 FFAA Cc1sccc1CC(=O)N1CC[C@H](N(C)Cc2noc(C(C)C)n2)C1 329890464 GHDQTZJMLYSULK-HNNXBMFYSA-N 362.499 2.838 0 50 FFAA O=C(c1ccc(F)nc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328604481 KEDIQLXKOIJKKO-AUUYWEPGSA-N 356.401 2.750 0 50 FFAA Cc1cc(C)c2c(CC(=O)N(CCO)Cc3nccn3C)coc2c1C 215420715 LXAYSCIHWJLWEA-UHFFFAOYSA-N 355.438 2.655 0 50 FFAA Cc1cccc(C2CC(N[C@@H]3CCCN(c4nccn(C)c4=O)C3)C2)c1 328637517 ORGSAJXCJXJDSB-JLAWEPINSA-N 352.482 2.593 0 50 FFAA C[C@@H]1C[C@@H](C(=O)N(CCO)Cc2cccc(Br)c2)CCC1=O 331163891 RXNQNPSZWKADSL-OCCSQVGLSA-N 368.271 2.775 0 50 FFAA O=C(O)c1cc(-c2ccsc2)cc(S(=O)(=O)N2CCSCC2)c1 72166270 WNXNPRQGMKDDEO-UHFFFAOYSA-N 369.489 2.851 0 50 FFAA CC1(C)CC(NC(=O)N2CCC[C@H](N3CCCC3)CC2)CC(C)(C)N1 154992331 DVVLZLNKOCZBLH-KRWDZBQOSA-N 350.551 2.956 0 50 FFAA Cc1cc2occ(CC(=O)N3CCc4c(nc[nH]c4=O)C3)c2cc1Cl 71524628 QJEUAFYMKUDQED-UHFFFAOYSA-N 357.797 2.605 0 50 FFAA O=C(CSc1ccncc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218891343 AFMKYCZZJQCQCI-QZTJIDSGSA-N 358.463 2.664 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1 218848002 SLLVIDJETKKQSC-NRFANRHFSA-N 353.418 2.778 0 50 FFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1sccc1C)CC2 72453805 MSKZNEMRFOJGGU-UHFFFAOYSA-N 371.510 2.683 0 50 FFAA Cc1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1C(=O)N1CCCCC1 333336689 OZZXHYUEWXNGGG-IAGOWNOFSA-N 370.497 2.694 0 50 FFAA CCc1noc(C)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82157395 RWSDJZJJUVZZKZ-UHFFFAOYSA-N 359.474 2.534 0 50 FFAA COc1cc2c(cc1CNC(=O)c1ccc(N3CCCC3)cc1)OCCO2 222403016 RTEOIUUWJPGSQM-UHFFFAOYSA-N 368.433 2.997 0 50 FFAA C[C@]1(NC(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)CCS(=O)(=O)C1 426494501 ZBGCKENLVVZJEF-FQEVSTJZSA-N 371.458 2.596 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 222422943 DKMJOTIUFSZSNO-MGBSGCIJSA-N 362.857 2.736 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCC(=O)c2ccccc2)CC1=O 82148490 YONPOXLQABQJQA-UHFFFAOYSA-N 350.418 2.833 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 179028100 NTFLAAPMMDEVMG-LBPRGKRZSA-N 352.360 2.573 0 50 FFAA C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC=C(c2cccnc2)C1 289283476 GLDJUPVLFCUXJQ-AWEZNQCLSA-N 351.406 2.927 0 50 FFAA CCc1ccc(CC(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)cc1 91486646 REOGAPACCMAAGQ-UHFFFAOYSA-N 372.509 2.669 0 50 FFAA CSCCc1nc(C2CCS(=O)(=O)CC2)n(C2CCCCC2)n1 96131902 VTNCZJCUQKTUCT-UHFFFAOYSA-N 357.545 2.981 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC([C@H]4C[C@@H](N)CCO4)CC3)ccc2n1 333292306 OUZHMQHYMHTXJS-AZUAARDMSA-N 353.466 2.902 0 50 FFAA O=C(N[C@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1C1CC1)c1ccc[nH]1 95364431 YKLMTXFZQNAOLF-AEFFLSMTSA-N 369.490 2.774 0 50 FFAA O=C1C[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)Oc2ccccc21 91473923 VFGBOHBVDVVNRN-SFHVURJKSA-N 353.403 2.646 0 50 FFAA Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2CN1CCC(C(=N)O)CC1 334160960 POMZWYOVTZBZME-UHFFFAOYSA-N 367.449 2.947 0 50 FFAA Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)cnn1C1CCOCC1 162367139 SUOJGEKNNWJZCK-UHFFFAOYSA-N 369.425 2.539 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 91713385 KZBUUUSYMVODOL-IBGZPJMESA-N 359.426 2.605 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccc(C)cc2)CC1 91602600 OFSFXVATCYTAPH-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA CCOc1ncccc1CNC(=O)CN1CCC(c2ccccc2)CC1 95370002 MFUSMTXMMLXSTF-UHFFFAOYSA-N 353.466 2.976 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(Cn3cc(C)cn3)CC1)C2 92045467 DVCAIMLNTPUOAL-SFHVURJKSA-N 369.465 2.690 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 252535842 HAICPGCWFGCPOB-IYOUNJFTSA-N 362.832 2.915 0 50 FFAA C[C@@H](O)c1cccc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)n1 534646482 ZGVRQHBRNSQOQG-OAHLLOKOSA-N 350.422 2.819 0 50 FFAA Cc1ccc(C2(O)CCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 299775427 DBIIXYJSFUIUHN-SFHVURJKSA-N 365.477 2.727 0 50 FFAA CCn1cnnc1CCNC(=O)c1ccc(CSc2ccccn2)cc1 823592541 NRIKNQAYQNCEJM-UHFFFAOYSA-N 367.478 2.958 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(C(=O)c3csc(C)n3)CC2)cc1 825175499 JUQMZGMHAIHUTE-UHFFFAOYSA-N 357.479 2.929 0 50 FFAA Cc1nc(CNS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cs1 670436572 IVHVPQPWEOZDCI-UHFFFAOYSA-N 352.441 2.530 0 50 FFAA Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)c2ccccc21 1565525366 OERLFWDMPFUGGF-ICSRJNTNSA-N 365.433 2.677 0 50 FFAA COc1cccc2c1CCC[C@@H](NC(=O)NC[C@@H](O)c1ccccc1)C2 1479562866 NTUHKRSQMJODEH-IEBWSBKVSA-N 354.450 2.975 0 50 FFAA CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCO1 271646009 HJVMYUBMNIMZGC-QRVBRYPASA-N 358.482 2.540 0 50 FFAA Cc1nccn1C[C@@H](C)CNC(=O)N1CC[C@]2(C1)OCc1ccccc12 185301881 PQLCSMNRZDOOGJ-MGPUTAFESA-N 354.454 2.669 0 50 FFAA CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1Br 185940981 BGPBMGDJVVDXMF-GFCCVEGCSA-N 360.273 2.971 0 50 FFAA Cc1nscc1C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189291863 SCAXVBHQKFLZNO-HNNXBMFYSA-N 365.405 2.651 0 50 FFAA O=C(c1cnc(C2CC2)nc1O)N1CCC2(CC1)OCCc1ccsc12 1353897780 YSCSTTKSXYGWQG-UHFFFAOYSA-N 371.462 2.825 0 50 FFAA C[C@H](c1cccs1)N(C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 1506405874 OGMGZWGVJHNXKG-GFCCVEGCSA-N 370.471 2.873 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)c1cncc(C(=O)N2CCCC2)n1 1506405243 JBNGZLNNXHYAJV-QGZVFWFLSA-N 365.481 2.675 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@@H]2NCCC[C@@]2(CO)C1 215050985 ISRNTIABUCESHD-HOCLYGCPSA-N 357.376 2.674 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)C(C)(C)Oc3cccc(C)c3C)C[C@H]2O)n[nH]1 1704349024 IKQSLWOUYRIULC-SJLPKXTDSA-N 371.481 2.554 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CN(CCOc2ccc(F)cc2)CC[C@@H]1O 1704344971 RPZPKYCDPCCFDY-FPOVZHCZSA-N 373.424 2.585 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1nc(-c3ccc(F)cc3)cs1)C2 1772712480 NEZPMIUFCJHKJS-ACJLOTCBSA-N 362.426 2.872 0 50 FFAA O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982382 UFXUAJIMPIADNG-KOUHRCEDSA-N 351.446 2.948 0 50 FFAA O=C(c1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697624 BMCPGDYLESMTJK-UHFFFAOYSA-N 360.421 2.578 0 50 FFAA O=C(NCc1cc(C2CC2)[nH]n1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12203566 JDUJQMXTVRJIJU-HNNXBMFYSA-N 358.486 2.865 0 50 FFAA COc1ccc(OCc2cc(C(=O)N3CCSCC3)n[nH]2)c(Cl)c1 12444977 JCYZFOUVSPSUDG-UHFFFAOYSA-N 367.858 2.840 0 50 FFAA Cc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)s1 12863499 ZZJONGZBBNYQTA-UHFFFAOYSA-N 364.858 2.991 0 50 FFAA Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)o1 14745620 VLCQZZHOFQBACC-OAHLLOKOSA-N 358.486 2.789 0 50 FFAA CC[C@@H](COC)Nc1ncnc2sc(C(=O)NCCCOC)c(C)c12 14885703 STECTYYXWKNFSS-LBPRGKRZSA-N 366.487 2.603 0 50 FFAA Cc1ccc(-c2ccc(N3CCCC3)nn2)cc1S(=O)(=O)N1CCCC1 16625019 SNQKSBZVOOYIPI-UHFFFAOYSA-N 372.494 2.837 0 50 FFAA Cc1cc(C)cc(C(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)c1 169776025 OFGRXSJVOGZNCI-UHFFFAOYSA-N 362.393 2.635 0 50 FFAA Cc1cccnc1CN1C[C@@H]2[C@H](CNC(=O)CCC(C)C)[C@H]3CC[C@]2(C1)O3 1857718538 JRYLSNUSSQQZNR-XHYAQGIWSA-N 371.525 2.922 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(Br)cc1 237937257 WZSWPTNEPDCJCV-OLZOCXBDSA-N 356.216 2.650 0 50 FFAA COCC(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@@H]1CCCO1 12190896 RPXNPAUQQGIDBN-SFHVURJKSA-N 371.481 2.763 0 50 FFAA C[C@@H]1Nc2nnnn2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)Nc1ccccc1 245039127 OGQUMYSCMRDTFD-KNXALSJPSA-N 368.828 2.985 0 50 FFAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCc2ccccc2C1 14881662 ORCPTEWEHUVWGI-HXUWFJFHSA-N 364.401 2.688 0 50 FFAA C[C@@]1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)NC1=O 14992781 CXKCZJIPRJQBOB-FQEVSTJZSA-N 353.422 2.757 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2)N1CCCC1 247762814 IQSUQGVDLQDFDC-QUCCMNQESA-N 359.489 2.734 0 50 FFAA O=C(NCc1cccc(CO)c1)c1c[nH]c2ncc(Br)cc12 472264350 PIJNTBYRGNEZQK-UHFFFAOYSA-N 360.211 2.748 0 50 FFAA COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Br 857789 NXYZCSQZWARZHL-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA O=C([C@@H]1CCCc2nn[nH]c21)N1CCc2nc(C3CCCCC3)[nH]c2C1 1875269542 OEIYGWCHWGZUDM-CYBMUJFWSA-N 354.458 2.580 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](C(=O)OC)CC23CCCC3)cc1 1875380250 JQUNRDVRULRWIR-OAHLLOKOSA-N 356.422 2.759 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(CN(C)C)c(F)c3)n[nH]c21 1875393219 AXAVINZUAHSNLL-NEPJUHHUSA-N 360.433 2.563 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@]23CCC[S@](=N)(=O)C3)c1 1875395594 GFOMQIZEIPQARG-KOSHJBKYSA-N 350.484 2.830 0 50 FFAA O=C(O)C1CCN(CCNCc2cnc(CCc3ccccc3)s2)CC1 1875303546 CYYOOYQGPITUEQ-UHFFFAOYSA-N 373.522 2.815 0 50 FFAA Cc1ncc(CN2CCC[C@H](CNC(=O)c3n[nH]c4ccccc34)C2)s1 12300629 TWXBTLCTYZNTCN-CQSZACIVSA-N 369.494 2.970 0 50 FFAA CCN1CCc2c(cccc2NC(=O)c2ccc3c(c2)nc(CO)n3C)C1 2325766259 LDRDJZNYXIDGMH-UHFFFAOYSA-N 364.449 2.696 0 50 FFAA Cc1ccc2cc(C(=O)N3CCN(C[C@H]4CCCCN4C)CC3)cnc2c1 2325772031 NYODUVFHXIRLAH-HXUWFJFHSA-N 366.509 2.785 0 50 FFAA FC(F)c1ccc(Br)c(N2CCN(c3ncc[nH]3)CC2)n1 2325780546 SNJDWMHXQVCQEK-UHFFFAOYSA-N 358.190 2.831 0 50 FFAA NCc1nc(-c2ccc(NC(=O)C[C@@H]3COCc4ccccc43)cc2)n[nH]1 2325858972 IPVHXHIUPOEHGN-OAHLLOKOSA-N 363.421 2.573 0 50 FFAA CC(C)(C)c1nnc(CNC(=O)[C@@]2(C(=O)O)C[C@@H]2c2ccccc2)s1 907639756 NAVMUFREXMYPTA-KZULUSFZSA-N 359.451 2.710 0 50 FFAA COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1 790493 QAJRYDGKJXCQQN-UHFFFAOYSA-N 359.386 2.541 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(Cc2ccccc2)CC1 865052 FWNGOFMNANBAMQ-UHFFFAOYSA-N 362.429 2.764 0 50 FFAA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1Cl 1132378 JTHJJSRXRRIZSE-UHFFFAOYSA-N 352.843 2.908 0 50 FFAA COCCC[C@@]1(CO)CN(Cc2ccc(-c3ccccn3)cc2)CC[C@H]1O 2356143522 LLRFNFJSPCDJQL-YADHBBJMSA-N 370.493 2.721 0 50 FFAA CN(C)c1ccc(-c2ccnc(NCc3nc(C(F)(F)F)n[nH]3)n2)cc1 2356143849 YINMPSCONGZVNI-UHFFFAOYSA-N 363.347 2.959 0 50 FFAA CCC[C@@]1(C(=O)O)CN(c2nccc(-c3ccc(C)nc3C)n2)CC[C@H]1O 2356154133 JEIFAMKCSHOXRC-YLJYHZDGSA-N 370.453 2.598 0 50 FFAA O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755799 ZORAUBKIPMMSHQ-LBPRGKRZSA-N 368.455 2.927 0 50 FFAA Cc1c(C)n(CCO)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 9340483 RRAMYZNHGODVHR-UHFFFAOYSA-N 371.828 2.921 0 50 FFAA COCc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 112418941 HQPAWFVZIDXDAK-MRXNPFEDSA-N 357.385 2.899 0 50 FFAA Cc1ccc(C)c(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1 67880176 MAAYDBAYERELTI-QHCPKHFHSA-N 366.505 2.989 0 50 FFAA CCc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 21795009 ULVJXSRENXUDOV-UHFFFAOYSA-N 368.485 2.768 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)on1 465111053 KOJZORIZCGQESE-MRXNPFEDSA-N 355.438 2.762 0 50 FFAA NC(=O)C1(c2nc(-c3ccccc3)nn2-c2cccc3cccnc23)CC1 63882499 OWWYXRUXKUKNET-UHFFFAOYSA-N 355.401 2.999 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2)cc(-n2ccnc2C)n1 67623096 OLTHWHBEZFLKFR-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C[C@H]2CC=CCC2)CC1 20326285 JBDRHCRGXHGCRT-INIZCTEOSA-N 366.469 2.669 0 50 FFAA CC(=O)Nc1cccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)c1 20767662 OUTGIFCOASHLSK-UHFFFAOYSA-N 356.407 2.584 0 50 FFAA OC[C@@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Cc1ccco1 67843180 JFQIQTHSYVJTTD-OAHLLOKOSA-N 364.449 2.645 0 50 FFAA Cn1ncc2ccc(-c3noc([C@H]4COCCN4CC(F)(F)F)n3)cc21 351217355 SVDSPFAXCLKXTF-CYBMUJFWSA-N 367.331 2.559 0 50 FFAA CN(C)c1nc2c(s1)[C@@H](c1cccc(Cn3cccn3)c1)CC(=O)NC2 65493909 PJDHRWIUFLUBTO-OAHLLOKOSA-N 367.478 2.606 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)Cc3noc4ccccc34)CCO2)cc1 71405863 RFGPHZVXHPOXOE-QGZVFWFLSA-N 366.417 2.849 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)cc1 218805869 OSEHEOYAAOTDGK-NRFANRHFSA-N 366.509 2.939 0 50 FFAA COc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc2c1OCCO2 120584079 SDOCZYJHHQPBDN-ZYSHUDEJSA-N 351.402 2.925 0 50 FFAA Cn1ncc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1C1CC1 72475575 RWDONODJZFBWCY-NRFANRHFSA-N 350.510 2.973 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCCCc3nc4ccccc4o3)cnc21 77297910 GKDVTIBTXBOUEW-UHFFFAOYSA-N 364.409 2.537 0 50 FFAA CC1(C)CN(C(=O)Cn2cc(NCc3ccc4occc4c3)cn2)CCO1 367577135 SGVXFWBTJZRYMQ-UHFFFAOYSA-N 368.437 2.879 0 50 FFAA CCc1cc(N2CCC([C@@H](C)N3CCOCC3)CC2)n2nc(C)c(C)c2n1 72425624 SROAJYAOLHIUSG-QGZVFWFLSA-N 371.529 2.846 0 50 FFAA O=C(O)[C@@H]1CCCN1Cc1nc(-c2cc(Br)cs2)no1 262685401 XSAFYGBTUSIGGN-QMMMGPOBSA-N 358.217 2.610 0 50 FFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1 331972881 RWPVDEQJDJTNBK-ROUUACIJSA-N 364.511 2.661 0 50 FFAA O=S1(=O)CC[C@@]2(C[C@H](NC3CC(c4cc(F)cc(F)c4)C3)CCO2)C1 377550191 OFCBYBFPUPSJTC-YJVWJLORSA-N 371.449 2.537 0 50 FFAA CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cn([C@H]3CCCNC3)nn1)CC2 333622836 UPQOJCYVRFTNIB-SFHVURJKSA-N 367.497 2.699 0 50 FFAA Cc1cc(C)c(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)c(=O)[nH]1 71388741 KSKPOQYGCJLMRF-GOSISDBHSA-N 354.450 2.856 0 50 FFAA COC(=O)COCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 496035237 WEKYLUOGQYGLDR-UHFFFAOYSA-N 374.340 2.664 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CC[C@@H](N)C[C@H]1C 237406460 RHMWNDXDNJBSNM-ZOWVGILCSA-N 356.445 2.980 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CC[C@@H](N)C1 237684991 XYRUFTIBFJFKJJ-GFCCVEGCSA-N 353.253 2.720 0 50 FFAA C[C@H](NC(=O)c1ccc2c(c1)nnn2C)c1nc(C2CCCCC2)no1 173222592 YRGPSPDBLMUFGO-NSHDSACASA-N 354.414 2.890 0 50 FFAA COc1ccc(C(=O)NCc2nc3ccccc3o2)cc1N1CCOCC1 223608329 YCTJKJZMKCEJQF-UHFFFAOYSA-N 367.405 2.603 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3ccccc3n2)C2CC(O)C2)cn1 220314429 KUKIENGVQGZWST-ALLBUHFWSA-N 363.417 2.880 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3C[C@H](C)C[C@@H](C(=O)O)C3)c3c2CCC3)cc1 263369485 UYVGGYKLNQBJMT-HUUCEWRRSA-N 367.449 2.852 0 50 FFAA O=C(c1cccc(N2CCOCC2)c1)N1CCCC[C@@H]1CN1CCCC1 220536587 RZICMQZDOFMTNJ-HXUWFJFHSA-N 357.498 2.614 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](c1cccnc1)N1CCCCC1 82125323 WOOGPFZRPVILLE-FQEVSTJZSA-N 369.513 2.708 0 50 FFAA Cn1c(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)nc2cc(F)ccc21 175400687 BSKQXGPSNMHJRY-OAHLLOKOSA-N 370.384 2.939 0 50 FFAA CN(c1ccccc1)C1CCN(C(=O)NC[C@H]2CCN(C3CC3)C2)CC1 175846244 KHASKPCLIVLGKE-QGZVFWFLSA-N 356.514 2.781 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2cc[nH]c2c1 222609844 RDHQPVNWRKSETJ-SJORKVTESA-N 357.435 2.729 0 50 FFAA CN(Cc1nncn1C)C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 426442981 PVRPLZHKTFOKGP-SFHVURJKSA-N 370.501 2.574 0 50 FFAA Cc1ccccc1N1C[C@@H](C)N(C(=O)c2cc(C(C)C)nn2C)CC1=O 82106540 RIZYADRLVOMXQB-OAHLLOKOSA-N 354.454 2.729 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)no1 82120147 YAWJBJWXNHRENR-UHFFFAOYSA-N 357.458 2.648 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)c3cccc4c3OCCO4)CC2=O)c1 220086297 KDFIBLOMKABMJH-UHFFFAOYSA-N 366.417 2.564 0 50 FFAA C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCN4CCOCC4)c(=O)c23)C1 20562742 HPCJIISZJDJHQL-LLVKDONJSA-N 365.524 2.578 0 50 FFAA CCSCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 91726061 QXIOGXPHJSXOEC-LLVKDONJSA-N 356.875 2.571 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 95373630 CHWYLDRESNIHOR-DOTOQJQBSA-N 373.526 2.539 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)NC[C@@H]2CCCN2)cc1 426647422 XXXUCTOAXXKMIC-ZDUSSCGKSA-N 367.375 2.979 0 50 FFAA CSCc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)o1 95354700 WYTHMDNCAYRYAO-AUUYWEPGSA-N 373.430 2.846 0 50 FFAA CCc1noc(CCNC(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1 426641406 RDEUADXCAJLJEI-AWEZNQCLSA-N 372.404 2.737 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)c1cc(CC(C)C)nc(N)n1)CC2 95372876 IGHBYKRDPHORQK-UHFFFAOYSA-N 354.454 2.507 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 146971694 IUYSPNIBBYIFDY-MRXNPFEDSA-N 361.442 2.565 0 50 FFAA Cn1cccc1-c1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)n[nH]1 91574912 ZVCOJRDVQPDFBI-SFHVURJKSA-N 360.421 2.783 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 299745548 QZYCNZYTEKGAQQ-ZENOOKHLSA-N 352.228 2.876 0 50 FFAA FC(F)(F)c1cnc(OCc2cn(-c3cnccn3)nn2)c(Cl)c1 261495028 QGALFSSQZAEWEE-UHFFFAOYSA-N 356.695 2.704 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023107 HLLJDZPCPHWCGD-LNMJFAINSA-N 365.433 2.628 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)cc2sc(N)nc12 91426764 ZVGSOGFIOFCYGK-CABCVRRESA-N 352.463 2.754 0 50 FFAA Cc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)c2c(C)nn(C)c2n1 299754877 AYJKSZMMSDCDHI-UHFFFAOYSA-N 366.469 2.849 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(C)nc3cc(F)ccc13)CC2 299757397 JALUXUSLGXCZBH-HEFCMCLBSA-N 358.413 2.827 0 50 FFAA Cc1ccccc1OC[C@@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 825236171 HQMUSJDEWXNXIP-CQSZACIVSA-N 352.442 2.549 0 50 FFAA NCCCC(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67947875 SIFINSHBVWZEJJ-UHFFFAOYSA-N 353.401 2.633 0 50 FFAA Cc1nccn1CC1(CNC(=O)[C@@H](C)c2nnc(O)c3ccccc23)CC1 952988108 BDHBJNDQQJZWTK-ZDUSSCGKSA-N 365.437 2.540 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cc1O 1565527885 FBJVFLBOCJJBEI-IRXDYDNUSA-N 367.449 2.532 0 50 FFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2 1565527946 HQHJHZCQYANYQR-RDJZCZTQSA-N 365.481 2.672 0 50 FFAA COCc1nc([C@H]2CCCCN2C(=O)COc2ccc(C)cc2C)n[nH]1 408473347 RYVMPGIWTHFEJB-OAHLLOKOSA-N 358.442 2.701 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3cn(C)nc3[C@@H]3CCOC3)CC2)cc1 275844848 IHRDPMBUSPHPFE-MRXNPFEDSA-N 369.465 2.916 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cc1C(=O)O 170624753 JNXHKFLHMUKHEZ-UHFFFAOYSA-N 372.402 2.985 0 50 FFAA O=C(NCCc1cc2ccccc2o1)c1c[nH]c(=O)c(Br)c1 170640927 YANWYPUZGILRCG-UHFFFAOYSA-N 361.195 2.856 0 50 FFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2cn3cccnc3n2)cc1 761712589 IIZHBJIAHKFHTN-UYAOXDASSA-N 352.438 2.610 0 50 FFAA O=C(Cc1ccn(-c2ccccc2)n1)N1CCC(O)(c2ccccc2)CC1 768588395 HYLOSRGACVJRMH-UHFFFAOYSA-N 361.445 2.925 0 50 FFAA COc1cc(Cl)cc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c1OC 1616082470 ILDGDRLCXLSKLF-LRDDRELGSA-N 366.845 2.689 0 50 FFAA COc1cc(CCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)ccc1C 1529182249 ZFUPWBLRSOECOG-IFMALSPDSA-N 369.461 2.897 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(c3nnc(-c4ccccc4)s3)C[C@@H]12 1704336817 QLMWGEZHSUWYKK-KDOFPFPSSA-N 358.467 2.580 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1300393 KYKJMLWRXOGCQO-LFIBNONCSA-N 358.463 2.818 0 50 FFAA Cc1nc(C(=O)N2CCCN(C(=O)NCc3cccs3)CC2)cs1 1772816924 YECNPJSKBKNDBZ-UHFFFAOYSA-N 364.496 2.571 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775978895 QSJZUMVAIIEFSL-NRFANRHFSA-N 374.448 2.690 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1775979494 WDDARMFCXGVAJQ-YMTOWFKASA-N 363.719 2.532 0 50 FFAA CCOP(=O)(OCC)C(=C(Cl)Cl)C(C(=O)OC)C(=O)OC 5049989 IMKBJTDABYQAJS-UHFFFAOYSA-N 363.130 2.861 0 50 FFAA COC(=O)c1ccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 11841389 VIDXDEVICCHIDZ-OAQYLSRUSA-N 356.466 2.698 0 50 FFAA Cc1occc1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 11934554 FABXYUXRYMJXBL-INIZCTEOSA-N 370.453 2.658 0 50 FFAA COCCn1c(=O)c(CNCCn2nc(C)cc2C)cc2cc(C)ccc21 12154753 KACNLBRHQYEERH-UHFFFAOYSA-N 368.481 2.559 0 50 FFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N(CCO)Cc1ccccc1 12464132 OAOQKDVLGMQLLG-UHFFFAOYSA-N 370.840 2.615 0 50 FFAA O=C(CO)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O 13552564 AZQJIDIXEHJZQQ-UHFFFAOYSA-N 373.206 2.888 0 50 FFAA COc1cccc(OCc2nc(C(=O)NCc3nc(C)cs3)co2)c1 15067445 KJGGLSOEEXPPLZ-UHFFFAOYSA-N 359.407 2.957 0 50 FFAA COc1cccc(N2C(=O)CN(C(=O)c3ccc(C(C)=O)s3)C[C@H]2C)c1 15069626 CDWAIGJEKLANCK-GFCCVEGCSA-N 372.446 2.837 0 50 FFAA Cn1nc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)nc1Cl 1857685297 HIHXPPJZPAHIQY-LLVKDONJSA-N 352.797 2.539 0 50 FFAA OC[C@H]1CCCN(CCn2ccnc2-c2ccc3cccc(F)c3n2)C1 1857706787 QVUFHWBUSFYTOW-HNNXBMFYSA-N 354.429 2.942 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCCNc1cccnc1 1857709684 LTBXKAFHBALMDV-UHFFFAOYSA-N 368.466 2.790 0 50 FFAA Cc1cc(C)n(CC(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)n1 225485816 BWSYBRPAHKFAGR-UHFFFAOYSA-N 362.861 2.624 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@@H](COC)Cc2ccccc2)cn1 328620785 ACLQLUKGOURRMX-GGPKGHCWSA-N 356.470 2.910 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 237656406 CEOUBMJTXUWNGQ-HNNXBMFYSA-N 351.200 2.867 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4c3OCCO4)C1)CC2 1704300030 STRPMZKLOZSWKD-NRFANRHFSA-N 365.433 2.676 0 50 FFAA C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)N[C@@H](CN)C1CCCC1 841983854 FLJGFLLJQBGSIX-KSSFIOAISA-N 374.485 2.863 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CCSC2)(c2ccccc2)CC1 847999145 QWMTXNHSURQRLT-MRXNPFEDSA-N 358.507 2.602 0 50 FFAA COC(=O)C1(C2CCN(C(=O)[C@@H](Cc3ccccc3)N(C)C)CC2)CCC1 1875298384 YZDWNPTWPGVFQC-LJQANCHMSA-N 372.509 2.741 0 50 FFAA O=C(CN1C[C@@H]2OCCO[C@@H]2C1)Nc1ccccc1Sc1ccccc1 1875299706 STWCRMRDHTXYRC-HDICACEKSA-N 370.474 2.876 0 50 FFAA COc1ccccc1-c1ccccc1C(=O)N(C)C[C@H](C)c1nn[nH]n1 1875262362 FUZPTNNJUHQYAL-ZDUSSCGKSA-N 351.410 2.751 0 50 FFAA O=C(N1CCc2cc(C(F)(F)F)cnc21)[C@@]1([C@@H]2CCCO2)CCCO1 1875406218 ZQEYKBFXEHEAAR-BBRMVZONSA-N 356.344 2.718 0 50 FFAA Cn1ncc(Br)c1CC(=O)N1Cc2cccc(Cl)c2C1 880001559 QVPPXSQDLRRLMY-UHFFFAOYSA-N 354.635 2.921 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccnc(Oc2ccccc2)c1 887019616 FGPDOIQRPBSRHY-IAGOWNOFSA-N 354.406 2.534 0 50 FFAA Cc1ccncc1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 888078210 YYJNHOCVKPASOV-OAHLLOKOSA-N 374.462 2.730 0 50 FFAA Cc1ccc2c(c1Br)CN(C(=O)NCCc1cncnc1)C2 888100064 FDNYRDPGDLOIJH-UHFFFAOYSA-N 361.243 2.815 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(O)c2)NC(=O)N1 4113519 SGBLQICKKLSOIM-SFHVURJKSA-N 368.389 2.642 0 50 FFAA CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)O1 16124805 ZHFVGOMEUGAIJX-NQNKBUKLSA-N 350.411 2.600 0 50 FFAA biogenic CC(C)(N)c1cc(C(=O)NCc2cc(Br)ccc2F)on1 2325756577 NRUMIGBTWJTNGK-UHFFFAOYSA-N 356.195 2.700 0 50 FFAA CCn1c(NC(=O)c2ccn(C3CCNCC3)n2)nc2ccc(F)cc21 2325789527 VYWCAEQJLNTHKX-UHFFFAOYSA-N 356.405 2.569 0 50 FFAA C[C@@H]1[C@H](NC(=O)[C@@H]2CC23CCC3)CCN1C(=O)c1cnn(C2CCC2)c1 2325839553 XETFSIDXLJASIC-XOKHGSTOSA-N 356.470 2.518 0 50 FFAA CCOc1ccc([C@H](NC(=O)c2ncnc3sccc23)C(=O)O)cc1 2325865469 DFVINZBXGJCSDP-ZDUSSCGKSA-N 357.391 2.646 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@]3(CCCC[C@@H]3O)C2)cc1 2325888055 WRIUDXWLEFPPIJ-RXVVDRJESA-N 356.466 2.646 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)Nc1cccc(N2CCC2=O)c1 2325892757 AUTYLNVNVHNFKZ-UHFFFAOYSA-N 350.422 2.748 0 50 FFAA Cc1c(NC(=O)N[C@@]23CCC[C@@H]2NCC3)cnn1-c1ccc(F)cc1F 873331870 CRYQSMJMJFJFLO-FUHWJXTLSA-N 361.396 2.865 0 50 FFAA O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cnc2ccccc21 854959 GQKCTGHJQHTXNZ-UHFFFAOYSA-N 369.446 2.899 0 50 FFAA COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 862909 XGYOWVYWTIAEMN-UHFFFAOYSA-N 365.267 2.930 0 50 FFAA COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 3876830 DRJXCHZSJXONIG-UHFFFAOYSA-N 362.451 2.892 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)s1 23153284 JUNNWCRJCUVISW-GFCCVEGCSA-N 374.491 2.723 0 50 FFAA COc1ccccc1CNC(=O)c1c(O)c2cccc3c2n(c1=O)[C@H](C)C3 170624697 CUSZYVLZUUIPEX-GFCCVEGCSA-N 364.401 2.763 0 50 FFAA CC(C)n1c(S)nnc1CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 116196571 WKLOJEHSBIDOIP-QWRGUYRKSA-N 366.437 2.888 0 50 FFAA CN(CC(=O)NC1CCCCCCC1)Cc1nc(-c2cccnc2)no1 65381238 AIJINSWBQUXRMF-UHFFFAOYSA-N 357.458 2.793 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CO[C@@H]1CCCC[C@H]1CC)CC2 248708847 IMYVQZWZGLSUOA-ZJPYXAASSA-N 353.503 2.750 0 50 FFAA CCn1ncc(NC(=O)Cn2nc(C)c(/C=C/c3ccccc3)c2C)n1 23580600 WERLDBHBASVFQO-ZHACJKMWSA-N 350.426 2.920 0 50 FFAA COc1cccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)c1 20274416 OBOQQCSAFUKAEF-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCC(C)(C)CN(C)C)nc2)C1 67954861 PGJMZIVIHVYWOH-INIZCTEOSA-N 362.518 2.580 0 50 FFAA CC(C)=CCN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@@H]1CCO 20995857 YSOFHABNTDTDOB-NRFANRHFSA-N 368.525 2.922 0 50 FFAA Cc1cnccc1-n1nc(C(C)C)nc1-c1cccnc1N1CCOCC1 65491619 UTQJCGSMGPDDGZ-UHFFFAOYSA-N 364.453 2.993 0 50 FFAA COC(=O)c1ccccc1NC(=O)N1CCC2(CCC(=O)N(C)CC2)CC1 67852206 YWSVEKASFQZZNG-UHFFFAOYSA-N 373.453 2.730 0 50 FFAA Cc1cc(C)c(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)c(=O)[nH]1 65531513 SHYZPIMCNKGBDU-QGZVFWFLSA-N 357.429 2.698 0 50 FFAA CC1(C)CN(CCNC(=O)N[C@H]2CCc3cc(Cl)ccc32)CCO1 171179489 ZLXYTGDYGWHWMZ-INIZCTEOSA-N 351.878 2.737 0 50 FFAA Cc1nc2cc(CNC(=O)c3[nH]nc(N)c3-c3ccccc3)ccc2n1C 215886492 GJTGRJDVIFBZLI-UHFFFAOYSA-N 360.421 2.784 0 50 FFAA Cc1nc[nH]c1CN[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12301027 QXJYTRLOROVQCR-ZDUSSCGKSA-N 352.360 2.628 0 50 FFAA COCCN1C(=O)C[C@@H](CN[C@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cnn(C)c1 328631019 QLTYQAOPQCEZPT-MEZWHVQBSA-N 374.529 2.515 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2nc(C3CC3)no2)[C@@H]1c1cnn(C)c1 328626624 FHAOCKMVEHWFQC-MAUKXSAKSA-N 358.490 2.586 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccncc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71753135 RRHOPUFNVORONM-PWRODBHTSA-N 363.461 2.793 0 50 FFAA CCO/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 253419200 FRHWHNHHNHNNIV-FMIVXFBMSA-N 352.456 2.658 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCCOc3ccccc3F)n2)c1 77341199 QUFGDBKIEOCZRF-UHFFFAOYSA-N 354.341 2.867 0 50 FFAA FC(F)c1nnc2ccc(N3CC[C@H](n4cnc5c4CCCC5)C3)nn12 330314230 XTLITMQGIGOEEK-NSHDSACASA-N 359.384 2.589 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 77438540 BWPSHQAKHBZZMQ-CYBMUJFWSA-N 352.394 2.605 0 50 FFAA Cc1cc(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)c2ccc(C)c(C)c2n1 77407187 RRNJMKBFFPLUCN-UHFFFAOYSA-N 362.433 2.718 0 50 FFAA Cn1c(C(=O)NC2(CN3CCOCC3)CCCC2)cc2cc(F)ccc21 216345166 AYKLBLXIYXOSTC-UHFFFAOYSA-N 359.445 2.692 0 50 FFAA Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2C2CC2)c1 376895150 KCVMVFBEGMQCLF-INIZCTEOSA-N 355.394 2.956 0 50 FFAA Cc1ccc(NC(=O)[C@H]2C[C@H](C(=O)O)CN(CCc3ccccc3)C2)cn1 71730423 SGYSTQKMRYMVEV-ROUUACIJSA-N 367.449 2.594 0 50 FFAA Cn1cc2ncn(CC3CCC(c4nc5ccccc5[nH]4)CC3)c(=O)c2n1 72121554 AVIFCQWKBUPJCH-UHFFFAOYSA-N 362.437 2.980 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)C[C@@H](C)O1 72477702 AORNGCSTYHNHJW-CALCHBBNSA-N 368.481 2.586 0 50 FFAA Cc1ccccc1CCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 72157968 JIHMQBGPTIGXON-FQEVSTJZSA-N 350.462 2.887 0 50 FFAA C[C@@H](NC(=O)CN(C)Cc1nc(O)c2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1C2 241262001 LALSKNZIEFIGLM-WBTNSWJXSA-N 368.481 2.708 0 50 FFAA Cn1c(CCNC(=O)c2csc([C@@H]3CCCO3)n2)nc2cc(F)ccc21 132389428 RLBBFEDQXZXLNS-HNNXBMFYSA-N 374.441 2.993 0 50 FFAA Cn1nc(CN2CCn3nc([C@@H](O)C4CC4)cc3C2)c2c(Cl)cccc21 223131736 AAYGNISOYZGCFL-IBGZPJMESA-N 371.872 2.882 0 50 FFAA Cc1nnsc1CNC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 222386834 UFQPZKGKRWPBSH-GOSISDBHSA-N 361.467 2.877 0 50 FFAA Cc1ccccc1N1C[C@H](C)N(C(=O)c2cc(C(C)C)nn2C)CC1=O 82106539 RIZYADRLVOMXQB-HNNXBMFYSA-N 354.454 2.729 0 50 FFAA O=C(NC[C@@H]1CCCN(CCO)C1)c1cccc(-c2ccccc2F)c1 223067851 ZQBRSYHDDYHUIR-INIZCTEOSA-N 356.441 2.927 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 82121279 IUPQFJUHZVMGDS-GOSISDBHSA-N 369.509 2.825 0 50 FFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)Cc3nc(O)n[nH]3)c2c1 426358943 GNAKZJLKCQSOHT-UHFFFAOYSA-N 374.404 2.701 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1Cc2ccccc2[C@@H](O)C1 82096978 BQALZKDNNSHQOG-INIZCTEOSA-N 359.809 2.730 0 50 FFAA Cc1nc([C@H](C)NC(=O)N2CCCN(c3ncccn3)CC2)c(C)s1 426493062 UXYDRTMJERZORK-LBPRGKRZSA-N 360.487 2.533 0 50 FFAA CCCc1nnc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)s1 91845618 LWVLGEQMYNLTAG-UHFFFAOYSA-N 366.531 2.736 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)c1cc(N2CCC(O)CC2)ncn1 95383838 QXFQRARBUMGSOX-UHFFFAOYSA-N 365.437 2.729 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CC[C@]2(CCCN(C)C2=O)C1 91270307 PSUHITFAMDYKGQ-LJQANCHMSA-N 364.511 2.870 0 50 FFAA CCc1n[nH]cc1C(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96139578 XXAHGJWDQNTVCI-UHFFFAOYSA-N 357.364 2.839 0 50 FFAA COc1ccnc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1OC 91724504 HGDZILBDBDMARA-UHFFFAOYSA-N 373.497 2.713 0 50 FFAA Cc1nn(CCNC(=O)c2cnc(Nc3ccccc3)nc2)c(C)c1C 91780710 VCTMXNXAOQJBQA-UHFFFAOYSA-N 350.426 2.772 0 50 FFAA COc1cc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)ncn1 95381173 LYRPBYCXGMQBNW-VHKYSDTDSA-N 372.419 2.830 0 50 FFAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cn3ccc(C)cc3n2)C1=O 95361913 RKAHQMHFLIRMTE-QGZVFWFLSA-N 365.389 2.500 0 50 FFAA CC1=C(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)SC2=NCCN21 95380761 ZTSYHDBCPOIPEB-HNNXBMFYSA-N 371.462 2.741 0 50 FFAA Cc1cnc(CNC2CCN(c3ncnc4sc(C)cc34)CC2)cn1 95505464 IIMDJRQLAUTNPK-UHFFFAOYSA-N 354.483 2.857 0 50 FFAA Cn1cccc1-c1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)n[nH]1 91724700 PYKTUGZAJKFYGZ-LJQANCHMSA-N 363.465 2.982 0 50 FFAA COCCc1nc(-c2cc(C)nc3c2c(C)nn3C)n(CC(F)(F)F)n1 96180113 GKEQYQAFZRRDHR-UHFFFAOYSA-N 368.363 2.595 0 50 FFAA CSc1cccc(CN(C)C(=O)Cc2ccc(-n3nnnc3C)cc2)c1 97301253 JETKYLHIWUKAKM-UHFFFAOYSA-N 367.478 2.894 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)N[C@H](C)c2n[nH]c(C)n2)c1 96149915 LIWYDQIZZKJSGC-CYBMUJFWSA-N 353.430 2.857 0 50 FFAA O=C1C[C@@H](C(=O)NC2CCN(C3CCSCC3)CC2)c2ccccc2N1 97636441 AHBNJADBUGMREK-QGZVFWFLSA-N 373.522 2.589 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H](c1ccccc1C)N(C)C)CC2 91725213 XVLTVBQGCSURSW-FQEVSTJZSA-N 371.525 2.849 0 50 FFAA Cc1cccc(N2CCC(NC(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)c1 244900208 ZYBXYHLCVMUNQW-FQEVSTJZSA-N 363.461 2.955 0 50 FFAA Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCC(C(=O)O)CC1 253411180 OHZQWULKYKUFLE-UHFFFAOYSA-N 361.829 2.904 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)C1CCN(c2cnccn2)CC1 298986772 PZITZDGIVMAXHS-UHFFFAOYSA-N 362.437 2.577 0 50 FFAA O[C@]1(c2ccccc2)[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@@H]([C@@H]2[C@]35Br)[C@@]41Br 252428333 YKVAHPGCIDIAFH-WVKIFQQUSA-N 368.068 2.907 0 50 FFAA CC[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccccn1 534583463 OGOXIMNVGYIIEY-IBGZPJMESA-N 368.481 2.939 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1c(C)c(-c2ccccc2)nn1C 299763308 ZTOBZJUUOSDCMQ-IRXDYDNUSA-N 371.485 2.625 0 50 FFAA CCN(Cc1cccc(OC)c1OC)c1cc([C@@H]2CCOC2)nc(N)n1 299785530 UCERXRFOKGYYNV-CQSZACIVSA-N 358.442 2.606 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cs2)c1 299777766 LQQRWCNVSNFCFV-CQSZACIVSA-N 355.463 2.746 0 50 FFAA CC1CCN(C(=O)c2cccc(NC(=O)N3CCN4CCC[C@@H]4C3)c2)CC1 299776862 DQBZNLGEWFWWKF-LJQANCHMSA-N 370.497 2.871 0 50 FFAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)n1 299796790 PNDFDWCLPPASID-UHFFFAOYSA-N 374.448 2.513 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 952982655 ZURALFJIBMLVEF-CQSZACIVSA-N 374.466 2.811 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 952977643 IXZHYKLRXBEQRF-LLVKDONJSA-N 368.418 2.524 0 50 FFAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2OC)c(Cl)cc1OC(C)C 1565527054 GZOXUTBFLYKZHN-BBRMVZONSA-N 357.834 2.670 0 50 FFAA CC[C@@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CCO[C@@H]1c1nccn1C 275479553 IHUJGWMFGIWZQT-BXWFABGCSA-N 359.470 2.878 0 50 FFAA COc1ccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c(OC)c1 193273867 LCRUGAMBXOXMFM-UHFFFAOYSA-N 370.453 2.885 0 50 FFAA C[C@H](OC(=O)c1cnc2nccnc2c1)C(=O)N[C@@H](C)c1ccc(F)cc1 759811795 OVOSNLYXGFTIQB-RYUDHWBXSA-N 368.368 2.587 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](c2nccn2C)C(C)C)cc1Cl 1506402101 UIHRIRUTHXHYBW-CQSZACIVSA-N 357.863 2.758 0 50 FFAA O=C1CN(C2CCN(Cc3ccco3)CC2)CCN1CCc1ccccc1 1506414521 DQGWOKNNHMEIJZ-UHFFFAOYSA-N 367.493 2.631 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506424297 KHXMLDNMLWVYJX-LJQANCHMSA-N 370.416 2.983 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N(Cc1ccccn1)C[C@H]1CCCO1 1506425704 QQWOMFITPBDGOZ-MRXNPFEDSA-N 350.422 2.708 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c(C)n1 1704358566 NSOYFUWCHGODLF-DYESRHJHSA-N 361.445 2.922 0 50 FFAA Cc1nc(CNc2nnc([C@H](N)Cc3ccccc3)o2)nc2c1CCCC2 1772708903 LRAQGWARDHDYAQ-MRXNPFEDSA-N 364.453 2.901 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccc(F)cc1 5399362 JQKIBKYQMLHDTH-UHFFFAOYSA-N 355.344 2.505 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12386072 GUUNEZVSSWPKQH-AWEZNQCLSA-N 363.364 2.597 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3ccncn3)no2)c1 12582568 HBVONEGCNZRZQJ-UHFFFAOYSA-N 366.377 2.518 0 50 FFAA CN1CCCC[C@@H]1CCNC(=O)c1ccc(NCC2CCOCC2)nc1 12702725 VPQIVBMHSLGCHX-GOSISDBHSA-N 360.502 2.524 0 50 FFAA CCN(c1ccc(C(=O)N2CCc3ccccc3C2)cc1)S(C)(=O)=O 17070390 AWZIOABVQLJGCR-UHFFFAOYSA-N 358.463 2.671 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(CC=Cc3ccccc3)C2)ccn1 1857532934 OCGQOIJCKQYSPJ-NRFANRHFSA-N 351.450 2.884 0 50 FFAA Cc1nc(O)cc([C@@H]2CCCN(c3cc(C(N)=O)c4ccccc4n3)C2)n1 1857676253 MRCOWSWZZZEFLZ-CYBMUJFWSA-N 363.421 2.522 0 50 FFAA O=C(c1ccc(C(F)(F)F)nc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857680867 QERSVGUFGPHHHJ-UHFFFAOYSA-N 350.344 2.942 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857697073 UBMPIAVLYGYQAM-NJAFHUGGSA-N 356.466 2.634 0 50 FFAA CN[C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 133785171 MJCHHRBBJGLMOG-STQMWFEESA-N 370.280 2.557 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cn3cc(C)ccc3n1)C2 248233786 BFHKSBQXMCHJAO-SJORKVTESA-N 366.465 2.672 0 50 FFAA Cc1cn(CC(=O)NCc2cccc(Cl)c2)cc(Br)c1=O 253416946 WFNDBJIQTAYBNW-UHFFFAOYSA-N 369.646 2.889 0 50 FFAA Cn1nc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1C1CC1 480173431 WLCGZMIITPMRHP-UHFFFAOYSA-N 356.817 2.843 0 50 FFAA COC(=O)c1cncc(C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)c1 804520205 JTGJBRACJBCOSP-LJQANCHMSA-N 368.433 2.762 0 50 FFAA OC[C@]1(O)CCOC2(CCN(Cc3ccc(-c4cccnc4)cc3)CC2)C1 1704314473 RZXUMJCYXVZYAG-NRFANRHFSA-N 368.477 2.617 0 50 FFAA COCc1nc([C@H]2CN(C(=O)c3cc(F)ccc3C)C[C@@H]2C2CC2)n[nH]1 952848382 LSLPRPYAFKPDNI-CVEARBPZSA-N 358.417 2.664 0 50 FFAA CC(C)(C)c1nocc1CNC(=O)c1ccc(Cn2ccccc2=O)o1 1875297091 CBTCXSRNYMYIMD-UHFFFAOYSA-N 355.394 2.705 0 50 FFAA Cn1cccc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@@]13CCCC[C@@H]1C3)CC2 1875406393 COIJCLKLNDTLPA-UWGQAIRJSA-N 355.482 2.859 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 907931 YCGHFJPOWUYQNW-ZDUSSCGKSA-N 358.419 2.504 0 50 FFAA Cn1ccc([C@@]23CC[C@@H](C2)[C@@H]3C(=O)Nc2cncc(Br)c2)n1 2325775906 AUKGOFVAHQSIAU-DRZCJDIDSA-N 361.243 2.884 0 50 FFAA C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)[C@@H]1CCCc2c1ncn2C 2325780127 JICYHQSMQBGQDD-NRXGSXMXSA-N 357.429 2.968 0 50 FFAA CC(C)(C)OC(=O)[C@H]1N(C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)CC1(C)C 2325781622 OXPGCCFCBUZPAJ-NVXWUHKLSA-N 372.465 2.830 0 50 FFAA CCCN(CCNC(=O)[C@H]1Cc2ccc(F)cc21)C(=O)c1nc(C)oc1C 2325793751 GTBGRQODHDDEFI-KRWDZBQOSA-N 373.428 2.739 0 50 FFAA Cc1ccc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)c2ncccc12 2325857885 SNXBBPIHUYTMGT-QFIPXVFZSA-N 374.488 2.887 0 50 FFAA O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1cc2c(F)c(F)ccc2[nH]1 2325869228 DAQLVJQFJWHBQP-UHFFFAOYSA-N 372.310 2.695 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 659415 SGVJLACKSDKQKA-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 853926 ZYYOIICFZZJNDB-KDOFPFPSSA-N 374.437 2.824 0 50 FFAA biogenic O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Br)cc1 1120643 WHFWVQFXIVPSAP-UHFFFAOYSA-N 362.223 2.851 0 50 FFAA COC(=O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl 2266652 BXVGRESXGYWDOL-UHFFFAOYSA-N 364.206 2.852 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 2237086 QFAABUKPVMUCQC-UHFFFAOYSA-N 353.403 2.857 0 50 FFAA Cc1cccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccccc3)C2=O)c1 2861976 VJMFXFXTZIXSNM-MRXNPFEDSA-N 354.431 2.999 0 50 FFAA O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 3640619 JFDJLMGVJXHLOF-AWEZNQCLSA-N 373.352 2.680 0 50 FFAA COc1cccc([C@H]2CCCCN2C(=O)c2c[nH]c3cc(C)nn3c2=O)c1 102074052 MHDFIRGLTZYECN-QGZVFWFLSA-N 366.421 2.707 0 50 FFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)Cc1nnc(N)s1 55091130 ZFNCPXRFBARPKN-UHFFFAOYSA-N 360.468 2.793 0 50 FFAA C[C@@H]1C[C@@H](O)CCN1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 225618158 TYTXIXRLIIGMPI-PBHICJAKSA-N 354.454 2.533 0 50 FFAA C[C@H](CCCN)NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1 415765426 VIGQDXNWQXWMAV-MRXNPFEDSA-N 374.529 2.633 0 50 FFAA CCOc1cc(CN(C)C(=O)CCC(=O)NC2CCCC2)ccc1OC 55225442 NDMSSDYPXFUIHB-UHFFFAOYSA-N 362.470 2.891 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c1 57460463 NYSIWWGHFGXZHL-MRXNPFEDSA-N 366.465 2.794 0 50 FFAA CCN1CCC(CC(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)CC1 65494664 WARSBNNBISRBBW-KRWDZBQOSA-N 359.514 2.854 0 50 FFAA COc1cccc(CN2CCC[C@H](NCc3cccc(OCCO)c3)C2)c1 23373572 KAZLLHPSICBUMI-FQEVSTJZSA-N 370.493 2.821 0 50 FFAA CCn1ccnc1CN(C(=O)CCC1CCOCC1)[C@@H]1CC12CCNCC2 328636176 NXFKWLZXGOBDTF-GOSISDBHSA-N 374.529 2.581 0 50 FFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN(c2cnccn2)CC1 171058610 WECJVHPAFRSUFS-UHFFFAOYSA-N 365.462 2.871 0 50 FFAA COc1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cc(OC)c1OC 709970 MFMVJLZRFANDCA-UHFFFAOYSA-N 368.393 2.760 0 50 FFAA biogenic,in-vitro Cn1ncc(N2CCN(Cc3ccc(C4CCCC4)s3)CC2)cc1=O 215991555 IYDFWIFPMHLPIS-UHFFFAOYSA-N 358.511 2.822 0 50 FFAA C[C@@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1ncccc1F 253419669 ASLUCAFGQMNPLD-CYBMUJFWSA-N 351.385 2.625 0 50 FFAA O=C1NC[C@@]2(CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)O1 72151926 UWURMCSCQOVCFS-INIZCTEOSA-N 363.464 2.976 0 50 FFAA Cc1nc(CN2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)no1 215027725 DBNICYFWVRIFLN-UHFFFAOYSA-N 373.457 2.958 0 50 FFAA O=C(c1ccccc1O[C@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 71769296 GPFOPIMCMNEDIZ-IBGZPJMESA-N 366.461 2.812 0 50 FFAA CC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 130149517 FQJAEKICIDWBFZ-HNNXBMFYSA-N 357.389 2.580 0 50 FFAA CN1C[C@@H](CC(=O)NC2CCCC2)Oc2ccc(C(=O)N3CCCC3)cc21 77524835 DBXNFQQVJVSUPO-QGZVFWFLSA-N 371.481 2.569 0 50 FFAA CC(=O)N1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2C)CC1 331277372 YOQBETOHWCYUOZ-UHFFFAOYSA-N 358.360 2.520 0 50 FFAA CN(Cc1cnc2ccccn12)c1nc(-c2cccnc2)nc2c1cnn2C 72454038 LXOYBQWWAIBQLW-UHFFFAOYSA-N 370.420 2.709 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72130635 VOLSJIVPDHGZLH-DFQSSKMNSA-N 352.434 2.991 0 50 FFAA CN(c1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)cc1)S(C)(=O)=O 71756863 FKGDPLLQMQZOAN-MLXTZYFGSA-N 362.495 2.591 0 50 FFAA COCc1nc(NCc2cccc(CN3CCCC3)c2)c2cnn(C)c2n1 72154717 FADWMLHNHGZLPA-UHFFFAOYSA-N 366.469 2.718 0 50 FFAA O=C(NCC[C@H]1C(=O)Nc2ccc(F)cc21)c1cc2ccccc2c(=O)o1 239475381 ANWFMIAJXKYMBO-CQSZACIVSA-N 366.348 2.788 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1ccc2c(c1)OCCCO2 263373750 ZLPVXZFGNLOREZ-UHFFFAOYSA-N 371.389 2.527 0 50 FFAA Cc1sc(=O)n(CC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1C 173704015 QISKOEAYSZSGKP-SFHVURJKSA-N 373.522 2.650 0 50 FFAA CSc1nc(C(=O)NCCc2csc(-c3ncccn3)n2)cs1 222435635 WFIWYBTXGFIOAQ-UHFFFAOYSA-N 363.493 2.751 0 50 FFAA CN1C[C@]2(CCCN(C(=O)NCCc3ccccc3Cl)C2)OC1=O 426669141 PVUISVKYOIFCOY-KRWDZBQOSA-N 351.834 2.509 0 50 FFAA CC(C)n1c(CNC(=O)c2cnc(C3CC3)nc2O)nc2ccccc21 426442017 UDOIFAGYRJMBPF-UHFFFAOYSA-N 351.410 2.920 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c(O)c1 82098159 UNCPXYFLUZVETO-AWEZNQCLSA-N 354.406 2.587 0 50 FFAA NC(=S)Nc1ccc(Br)cc1I 238576714 FHXROTKFGKURPP-UHFFFAOYSA-N 357.014 2.709 0 50 FFAA Cc1cc(NC(=O)NCc2noc([C@H]3CCCO3)n2)n(-c2ccccc2)n1 97553346 LLGLJEWBHNNRBY-CQSZACIVSA-N 368.397 2.737 0 50 FFAA CSCc1noc(CN2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)n1 92106766 JIDWNODXXVIMRA-GOSISDBHSA-N 364.515 2.547 0 50 FFAA CSc1nccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)n1 95519928 NRKZGUFOXUPZMP-UHFFFAOYSA-N 358.467 2.686 0 50 FFAA CC[C@@H](O)Cn1nc(-c2ccco2)nc1-c1ccccc1-n1cncn1 96133171 BUQDTXUERKWMME-CYBMUJFWSA-N 350.382 2.557 0 50 FFAA Cc1cc2ccccc2n1CCN(C)C(=O)c1ccc(Cn2cnnn2)cc1 97088602 MBFDHIFTWVCARP-UHFFFAOYSA-N 374.448 2.757 0 50 FFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCCCCCC3)ccc21 95378850 SYOUURLBQYQDNS-INIZCTEOSA-N 356.470 2.551 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)c1ccc([C@H](C)N2CCCCC2)o1 97213367 ACEWTUREOVNYHK-HNNXBMFYSA-N 370.515 2.627 0 50 FFAA CC(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cc1 95376525 NVOOBPOUPFSIOU-MRXNPFEDSA-N 373.453 2.739 0 50 FFAA COC(=O)c1ccc2c(c1)n(Cc1scnc1C)c(=O)n2CC1CC1 95379886 FEZWHHXTDJPZSY-UHFFFAOYSA-N 357.435 2.813 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91270303 LIPUWPCNEGTNRJ-NRFANRHFSA-N 355.482 2.798 0 50 FFAA COc1ccc([C@H](Nc2nc(C)c3c(n2)CCCC3)[C@H]2C[C@H](O)C2)cn1 240128298 IPLODVJTFCXQOP-DOXZYTNZSA-N 354.454 2.992 0 50 FFAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C 253612042 WKFXHNDWEHDGQD-FSMUIUAASA-N 350.499 2.681 0 50 FFAA C[C@](O)(CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 182246719 QYBBUCRNFYVJOY-QFIPXVFZSA-N 372.509 2.972 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1Br 299742342 BFRRLAPYLVLXCX-RYUDHWBXSA-N 370.243 2.645 0 50 FFAA CNC(=O)CCN(C)C(=O)N[C@@H](c1cccnc1)c1ccc(C)c(C)c1 534668931 YNJWZNHSDZUODJ-LJQANCHMSA-N 354.454 2.565 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)cc1 299768821 KOUNDCMWBRBJFK-OAHLLOKOSA-N 368.437 2.613 0 50 FFAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccnc1Oc1ccccc1F)C2 299794459 KFZAEWORDCWZRD-OLZOCXBDSA-N 370.384 2.755 0 50 FFAA O=C(CN1CCCC1=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 299802333 ZZAZZVWSIVGHQN-QGZVFWFLSA-N 363.889 2.606 0 50 FFAA O=C(Nc1cccc2cccnc12)N1CCC(O)(CN2CCCC2)CC1 299775253 CQWKYOPHALLOFP-UHFFFAOYSA-N 354.454 2.689 0 50 FFAA COCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCN(C2CCCCC2)C1 584901037 MSCJMTKWFDPICV-IBGZPJMESA-N 374.529 2.894 0 50 FFAA CC[C@H](C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 788407084 ACLZYMMIZRRSMV-WDEREUQCSA-N 363.863 2.605 0 50 FFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc2c(c1)OCC(=O)N2 1529144068 GNBNJNFIGPEXMM-UHFFFAOYSA-N 362.389 2.979 0 50 FFAA CCOCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 222464387 DXOCNVSZGIVLRS-WBVHZDCISA-N 364.511 2.557 0 50 FFAA CCCc1cc(CN(C)c2nncc(-c3ccc(OC)cc3OC)n2)n[nH]1 11664638 MSWAJFPJXWXBOQ-UHFFFAOYSA-N 368.441 2.868 0 50 FFAA CC(C)Cc1n[nH]c(SCC(=O)Nc2ccc(Br)cn2)n1 18189533 ZQWJHEFRMQHGFS-UHFFFAOYSA-N 370.276 2.892 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)o1 19789740 HVIUNCJAGSRERD-INIZCTEOSA-N 372.494 2.662 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H](N)C1CCCCC1)CC2 1857711327 TVGQLBMEBZDPJA-FQEVSTJZSA-N 366.509 2.922 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccnc5ccccc45)[C@@H]2CC(=O)N13 1857732229 IKIFXMHXMWITIK-ZVDOUQERSA-N 351.450 2.793 0 50 FFAA O=C(Cc1cccc2ccccc12)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857736243 GSTRZNCYJCGMAX-IRFCIJBXSA-N 350.462 2.750 0 50 FFAA CCc1nc2n(n1)C[C@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)CC2 114978375 TXJCYHLXTRJGLO-OAHLLOKOSA-N 357.433 2.669 0 50 FFAA CCn1ccnc1[C@@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 328807098 DKPPDKWPMPJFKO-KRWDZBQOSA-N 351.454 2.947 0 50 FFAA Cc1noc([C@@H](C)NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 330716957 DBXJHCZWKPNERJ-IONNQARKSA-N 359.352 2.735 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCNC1 333852111 NTNJEKVWNPMPCZ-GXTWGEPZSA-N 358.891 2.501 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2cccnc2O)cc1 247895939 ONIMEDXUZKGAKJ-SJORKVTESA-N 367.449 2.532 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccc(Cl)cc1Cl 247990200 LHEUNCMBDBWDSB-CJNGLKHVSA-N 370.324 2.978 0 50 FFAA C[C@@]1(C(=O)O)CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263572495 LACVMNHJMVXEIX-CZUORRHYSA-N 357.237 2.895 0 50 FFAA CC(C)c1n[nH]cc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848019 FGAWOBMDFKAUPA-CABCVRRESA-N 354.458 2.794 0 50 FFAA COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2C)CCO1 1875263430 YBTOBUQQORSZRN-GFCCVEGCSA-N 360.332 2.810 0 50 FFAA O=C(c1cnc2[nH]cncc1-2)N1CCC(O)(c2ccc(Cl)cc2)CC1 1875298197 RAKQRQOHGSOZON-UHFFFAOYSA-N 356.813 2.687 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)N1CCC(F)(F)C1 1875397991 WIMQBFVLCKDDAP-QWHCGFSZSA-N 369.416 2.799 0 50 FFAA C=CC(=O)NCCC(=O)N[C@H](C(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 1875365831 OLKFGYPJJOOFCF-IAGOWNOFSA-N 372.387 2.572 0 50 FFAA COC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886048317 CQUFCIYDWRXKMU-IXDOHACOSA-N 358.404 2.776 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)C=C3CCCCC3)C2)ccn1 886095361 TVLIUOVPDPUMBJ-IBGZPJMESA-N 357.454 2.588 0 50 FFAA COc1ccc2c(c1)OCC[C@@H]2NC(=O)CCc1nc2cccnc2[nH]1 1323168065 IGDWRNRYTQAXSD-AWEZNQCLSA-N 352.394 2.539 0 50 FFAA C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1 624149 HKOAZGIXJSHCJI-ONEGZZNKSA-N 351.366 2.595 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)Nc1nnc(SCC(C)C)s1 2100545453 VUYZQXPBAHISLX-UHFFFAOYSA-N 367.500 2.970 0 50 FFAA CC(C)C[C@H](C(=O)NCCN(C)C(=O)c1ccc(O)nc1)c1ccccc1 2325794073 PTARPJGFTADEOT-SFHVURJKSA-N 369.465 2.805 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2sc3ncnc(N)c3c2C)N(C)C)cc1 2325815505 SWLLHSSANUMXME-CQSZACIVSA-N 369.494 2.923 0 50 FFAA Cn1c(O)nc2ncn(Cc3cc(-c4ccc5ccccc5c4)on3)c2c1=O 2325819204 IRIUKHGTZSFGIF-UHFFFAOYSA-N 373.372 2.692 0 50 FFAA COc1ccccc1[C@@H](N)C(=O)N1CCC(c2cn3ccsc3n2)CC1 2325820816 GLJTYFORZKJUNW-QGZVFWFLSA-N 370.478 2.810 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccccc2)CC1 783996 BWOWPLJHDDPGRK-UHFFFAOYSA-N 366.417 2.835 0 50 FFAA CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 827960 ILMLXMAXMCPEOZ-GFCCVEGCSA-N 358.467 2.557 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 897205 QVVGVKZEIMTUDY-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 1124229 AXDXOKQNEYGZRU-KRWDZBQOSA-N 368.389 2.843 0 50 FFAA COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 4502227 JOOFAYIEDDTWTK-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 4858041 IOEUPXDNSSTPQZ-CQSZACIVSA-N 362.451 2.651 0 50 FFAA CCC(=O)Oc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 4868495 QSTUMORQEUMBOC-UHFFFAOYSA-N 357.406 2.992 0 50 FFAA CCc1ccccc1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 4977044 PAZWADNPAVGEIP-OAHLLOKOSA-N 360.479 2.892 0 50 FFAA COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1 412882803 MXHMLKFOIYDVTP-WMZOPIPTSA-N 365.433 2.972 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)c4nccn4C)C3)cc2c1 67473378 MCKBGHKQUPWNHU-OAHLLOKOSA-N 364.449 2.665 0 50 FFAA CCOc1cc(CN2CCN(CC(C)C)[C@@H](CCO)C2)ccc1OC 22919160 AYORRDXEBDOQDO-SFHVURJKSA-N 350.503 2.619 0 50 FFAA COc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 170624698 ORXCZQVCOZDLMS-LBPRGKRZSA-N 364.401 2.763 0 50 FFAA Cc1nnc(NC(=O)c2cccc(CN(C)Cc3cnccn3)c2)s1 67819965 JVNFNJCTYXKGAI-UHFFFAOYSA-N 354.439 2.521 0 50 FFAA O=C(O)CCCC(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 8782474 RDEQKRDLBRBYNM-UHFFFAOYSA-N 366.215 2.887 0 50 FFAA COc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)c(Cl)c1OC 20600220 GONNUQYOWJQBSF-HNNXBMFYSA-N 356.894 2.634 0 50 FFAA C[C@H](NC(=O)c1cc(CN2CCC(O)CC2)on1)c1ccccc1Cl 67654901 IUHBWCDTOFKCFH-LBPRGKRZSA-N 363.845 2.776 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](c3ccccc3)C2)c1 229723299 YRWPYURHGGFYDM-CRAIPNDOSA-N 351.450 2.863 0 50 FFAA CN1CCC(n2ncc3c2NC(=O)C[C@@H]3c2ccc(N(C)C)cc2)CC1 65383300 SEJLOOUJFGKESY-QGZVFWFLSA-N 353.470 2.690 0 50 FFAA CN1CCN(C[C@H]2CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 215216312 ADXGYVMTXMBPQI-OAHLLOKOSA-N 367.896 2.508 0 50 FFAA O=C(c1cc2ccccc2cc1O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 4179026 HLIGDRDATCRKIY-MRXNPFEDSA-N 356.275 2.966 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]c2=O)C1 72133781 MCMAQEKTAIENKT-KRWDZBQOSA-N 361.445 2.947 0 50 FFAA Cc1ccc(C2CCN(C(=O)[C@@H]3CCO[C@H]3c3nccn3C)CC2)cn1 329070471 YNYNAIDRQWEBJF-QZTJIDSGSA-N 354.454 2.607 0 50 FFAA CCN(CC)CCN(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 72408461 KKGBFILEMKMMQU-UHFFFAOYSA-N 358.486 2.632 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72424070 KIDUAOWHNRBRAI-CQSZACIVSA-N 364.453 2.501 0 50 FFAA CCCOC[C@@H]1CCN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 72157825 XVQHJLZLABBUPI-CQSZACIVSA-N 352.442 2.678 0 50 FFAA O=C(Cn1nc2ccccc2n1)N[C@H](c1ccncc1)c1ccc(F)cc1 219639564 VGKHSZPGVNQPDQ-FQEVSTJZSA-N 361.380 2.871 0 50 FFAA CCN(Cc1cccc(OCc2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 77323693 VEMPBFHYHPMEQW-SFHVURJKSA-N 360.479 2.670 0 50 FFAA COC[C@H](N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 262342197 SWAKSVCDSJTDLT-LBPRGKRZSA-N 359.373 2.665 0 50 FFAA CN1CCC(O)(CNC(=O)Nc2ccccc2Cc2ccccc2)CC1 77660595 OFESFHQWBDVIAP-UHFFFAOYSA-N 353.466 2.856 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[C@@](C)(C(=O)O)C1 237825513 JJKDXGUXRIGTSF-SQUSKLHYSA-N 353.422 2.826 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3snnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72150332 SHNLJWIWCZYZPO-RCCFBDPRSA-N 368.506 2.857 0 50 FFAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)NC3CCC3)nc2c1=O 72407675 SPWICIRMHLROKD-UHFFFAOYSA-N 356.813 2.636 0 50 FFAA Cc1noc2ncnc(N3CCC[C@@](CO)(CCOc4ccccc4)C3)c12 71404204 LEFUTDIPYXMODY-HXUWFJFHSA-N 368.437 2.974 0 50 FFAA Cc1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(=O)n1C 282869960 WBQNNQYSJIDPHO-CQSZACIVSA-N 371.403 2.958 0 50 FFAA O=C(O)COc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77470926 XDENZOSLNLVRKX-OAQYLSRUSA-N 372.465 2.517 0 50 FFAA Cc1ccc(SCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1 46024884 WXOPASVRDXYGDU-MRXNPFEDSA-N 369.490 2.647 0 50 FFAA O=C(Nc1cccc2c[nH]nc12)N1CCCN(Cc2ccccn2)CC1 426674143 HDUDVVGQYYRKHW-UHFFFAOYSA-N 350.426 2.698 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCc3cccs3)[C@H](C)C2=O)cc1 426606691 DZRVZUPSQJNZSM-CQSZACIVSA-N 373.478 2.746 0 50 FFAA Cc1c(C(=O)N2CCc3c([nH]c4ccccc34)C2)sc2[nH]cnc(=O)c12 426415350 LIFQKCHJIZFKDR-UHFFFAOYSA-N 364.430 2.973 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 426634120 GJNVGVMLEOLTQA-KQYVJACZSA-N 355.381 2.772 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2nc(C)cnc2C)CC1 82172128 IOSOREHSIHZWME-UHFFFAOYSA-N 369.517 2.685 0 50 FFAA C[C@@H](CNC(=O)N(C)Cc1ccc2c(c1)CN(C)C2)Oc1cccnc1 426632958 XQRQTHBQGHIBLV-HNNXBMFYSA-N 354.454 2.636 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Cl)cc1 239338877 LJFLIQNRTYSBHL-RIMFYDMWSA-N 370.836 2.722 0 50 FFAA O=C1CCCN1Cc1nc([C@@H](O)c2ccccc2)nn1C1CCCCC1 96154113 PTWNRDSQZJEELP-IBGZPJMESA-N 354.454 2.987 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)N(CCOc1ccccc1)C[C@@H]1CCCO1 426433955 DJULPMCILHKWMX-LNLFQRSKSA-N 362.470 2.560 0 50 FFAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CSCCN2CCCC2)C1 95501664 NWVRAJAVWRBXBT-QGZVFWFLSA-N 364.559 2.999 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)[C@@H]2CCCCCN2C)o1 95391264 BDSYLQFQRGUQFZ-KRWDZBQOSA-N 353.532 2.565 0 50 FFAA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)c1ccon1 97076425 VWSOKKIGWRZDBT-SFHVURJKSA-N 374.404 2.820 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(-c2ccn[nH]2)cc1 96153951 RRUSWXZIYLCRIJ-ZDUSSCGKSA-N 369.429 2.587 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)NCCc1nc(C)c2c(n1)CCC2 91860129 ZEHTXDOZBRZQNG-UHFFFAOYSA-N 355.486 2.661 0 50 FFAA CCN(C(=O)Nc1cccc(-c2nc3ncccc3o2)c1)[C@H]1COC[C@@H]1O 95502098 POKSDHLJJIFWFA-GJZGRUSLSA-N 368.393 2.503 0 50 FFAA Cc1ccc2cc(CN3CCC[C@@H](N)CC3)c(N3CCOCC3)nc2c1 97819476 MYWLLXSOQYUJGV-LJQANCHMSA-N 354.498 2.693 0 50 FFAA COc1ccccc1[C@H](C(=O)O)N1CCC(OCc2cccnc2)CC1 95389130 JUBIBUWQKNGXTO-LJQANCHMSA-N 356.422 2.897 0 50 FFAA C[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc2c(c1)OCO2 180404100 NHLZJMVCODHFCQ-LLVKDONJSA-N 360.391 2.737 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)c(C)n1 91616868 ARVHZFNXOXQGDR-QGZVFWFLSA-N 364.453 2.990 0 50 FFAA CNc1cc([C@H]2C[C@H](NC(=O)C3CCN(C4CCCC4)CC3)C2)ncn1 244858652 VPKXIXPQWLUPTA-WKILWMFISA-N 357.502 2.535 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 244794598 QPVCEVORGOWSMG-MLBCHFTJSA-N 368.521 2.935 0 50 FFAA Cc1nc2cc(C(=O)NC[C@@H]3C[C@H](F)CN3)ccc2n1-c1ccccc1 244708188 KPGOWQTZLIDGJN-HOTGVXAUSA-N 352.413 2.764 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N(C)C[C@H]3CCCCO3)CC2)c1 240517180 NWIXBMZMXOWMPF-HXUWFJFHSA-N 359.514 2.535 0 50 FFAA Cc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)n1C 252571010 XOBSGUXUGOYIRN-FUHIMQAGSA-N 354.450 2.819 0 50 FFAA COc1ccc2[nH]c(CNC(=O)[C@H]3CCCCN3C(=O)C3CC3)cc2c1 252493425 NBTDFTWUSTWFRP-GOSISDBHSA-N 355.438 2.584 0 50 FFAA Cc1nc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c2cnn(C)c2n1 183051908 NYAFGCQUVRTQQN-AWEZNQCLSA-N 374.807 2.682 0 50 FFAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc(Cl)c2cccnc12 262987190 PXIZEMQVLGQBMS-CQSZACIVSA-N 362.813 2.745 0 50 FFAA CCCc1cc(-c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)nc(C)n1 534582574 YNPSYQZXMGZLBU-UHFFFAOYSA-N 366.465 2.742 0 50 FFAA O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCCC[C@H]1c1cccnc1 263585866 NJHDXLOEZOSKDW-MSOLQXFVSA-N 351.454 2.842 0 50 FFAA biogenic Cc1nc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)c2sccc2n1 299759217 CFDWCZIXPIRGLZ-UHFFFAOYSA-N 370.482 2.807 0 50 FFAA O=C(Nc1cccc2[nH]nnc12)N1CCC([C@H](O)c2cccs2)CC1 299755455 CKVUBIKAIQWQBW-INIZCTEOSA-N 357.439 2.997 0 50 FFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 299802029 ZYHPFCKEXCNVMZ-QUCCMNQESA-N 366.461 2.824 0 50 FFAA CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952874025 SUDVQSTZEIVCNQ-GOSISDBHSA-N 352.438 2.784 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CCc1nc2ccccc2[nH]1 1565513981 DTJWWERVABCXBX-ROUUACIJSA-N 357.454 2.752 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2C2CCC2)c(Br)c1 408502653 SXJORDCYBPAJPU-NWDGAFQWSA-N 372.284 2.999 0 50 FFAA O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CCc2nccn2C1 275246944 GHSGZTUKFIRHTR-UTSBKAFOSA-N 351.859 2.689 0 50 FFAA O=C(c1cc(Cl)c[nH]1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275624424 MNRDQXXPSGCXAB-CQSZACIVSA-N 360.845 2.957 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)nc1)c1c[nH]nc1-c1ccsc1 187460169 TUPHHBPWDOHLBJ-UHFFFAOYSA-N 355.423 2.622 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN[C@H](C)C3)cc12 188438805 NOOIVENPFKPDAH-LLVKDONJSA-N 358.442 2.968 0 50 FFAA CC(=O)Nc1cccc(C(=O)N2CCN(c3ccncc3Cl)CC2)c1C 188547008 RDEHPLBYOZREGR-UHFFFAOYSA-N 372.856 2.964 0 50 FFAA COc1ccc(CC(C)(C)NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 189065707 UQPAXTYKQNVHON-UHFFFAOYSA-N 354.406 2.777 0 50 FFAA COc1ccc2cccc(CC(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)c2c1 190024575 FMROUUSCWCJXCN-PZJWPPBQSA-N 365.433 2.771 0 50 FFAA Cc1cccnc1C(F)(F)C(=O)Nc1ccccc1CS(C)(=O)=O 195393590 OJXJSKVLJFAVJV-UHFFFAOYSA-N 354.378 2.665 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615964081 XBRSUGKOYYWSOZ-ROUUACIJSA-N 371.506 2.668 0 50 FFAA CC[C@@H](C(=O)N(C)CCc1scnc1C)N1Cc2ccccc2C1=O 1506423811 XLEGMRDTCJMKPO-INIZCTEOSA-N 357.479 2.887 0 50 FFAA CCn1ccc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)n1 1704299570 PIODBVDQZMOHEM-UHFFFAOYSA-N 355.438 2.616 0 50 FFAA CO[C@H]1CN(C(=O)Cc2cn(C)c3ccccc23)C[C@H]1Cc1cc(C)no1 1704354204 WKKZEPKHMZYXNI-UZLBHIALSA-N 367.449 2.733 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCCN([C@@H]2CCSC2)CC1 1772809505 CNAVQBVSPLVXEF-OAHLLOKOSA-N 358.511 2.535 0 50 FFAA O=C1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)=NN1 14972872 NRJRQOSTGXOLSM-KRWDZBQOSA-N 363.417 2.527 0 50 FFAA Cc1ccccc1CNC[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15074891 AJYQGWCCSVJXRL-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 1857673869 MCQMNSDBZNBEQB-UHFFFAOYSA-N 367.449 2.500 0 50 FFAA NCCCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857673895 NFGOTPUYFMMLLK-GFCCVEGCSA-N 350.850 2.553 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H](O)c1ccccc1)CC2 1857695607 QRWIPCVGAYTQIW-NRFANRHFSA-N 361.445 2.748 0 50 FFAA Cc1ccccc1CN1CCOC2(CCN(c3nncs3)CC2)CC1=O 1857705110 SRSHEDFJAIOYFC-UHFFFAOYSA-N 372.494 2.635 0 50 FFAA O=C(c1cscn1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857713348 VWKHXVDEWHMMJP-ROUUACIJSA-N 357.479 2.821 0 50 FFAA FC(F)(F)c1nccc(=N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)[nH]1 1857720485 WJEUYYUIANDUDZ-QLFBSQMISA-N 364.371 2.544 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(c3nccc(C)n3)C[C@]23CC[C@H]1O3 1857721367 LMPHPKOUFZDLMS-FRPLCNJJSA-N 370.497 2.631 0 50 FFAA COc1c(C(=O)O)cc(-c2ccccc2C(=O)N(C)C)c(OC)c1OC 1875245438 ZSZLXHBWOGMWNY-UHFFFAOYSA-N 359.378 2.779 0 50 FFAA CCc1nn(C)c(NC(=O)C2CCN(C(C)=O)CC2)c1-c1ccc(F)cc1 1875245303 UEUDDQBYHUNILB-UHFFFAOYSA-N 372.444 2.986 0 50 FFAA Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2c(Cl)cnn2C)cc1 331199715 UPAPDIUSVJXDKG-UHFFFAOYSA-N 355.891 2.980 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)cc1 331990824 PKUHXINOZNRMPV-KRWDZBQOSA-N 358.463 2.995 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N)C[C@@H]1C 237121853 KBYORIZBMXVTTK-SMDDNHRTSA-N 355.276 2.729 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Br)ccc1F 238091659 QSMOQQXCMDIKKT-NSHDSACASA-N 374.206 2.684 0 50 FFAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 12556115 MVHNOABSQXQHOD-UHFFFAOYSA-N 368.418 2.875 0 50 FFAA COc1cc2c(cc1CN1C[C@@H]3CC[C@H](C1)C(=O)N3CC1CCC1)OCO2 247944656 JJYIXBOTFWXZBA-WBVHZDCISA-N 372.465 2.647 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 248030888 LBPPHQQPBOQMFP-MJGOQNOKSA-N 370.472 2.913 0 50 FFAA CC(=O)c1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cs1 253380282 AADGCWHYAARZPI-CABCVRRESA-N 373.430 2.980 0 50 FFAA O=c1[nH]c(-c2cccc(CN3CCCOCC3)c2)nc2c1CCCCC2 23158732 IFXCGARMCILKIU-UHFFFAOYSA-N 353.466 2.928 0 50 FFAA O=C(O)c1cccc(CC(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 364925757 FWEFILFFXUMLQT-OAQYLSRUSA-N 351.402 2.628 0 50 FFAA Cc1sc2ncnc(SCC(=O)N3CC([C@@H]4CCOC4)C3)c2c1C 366260150 SMFXYAQVVBEMEB-GFCCVEGCSA-N 363.508 2.895 0 50 FFAA CC(C)c1nccn1Cc1cccc(NC(=O)NCc2cnn(C)n2)c1 806214045 RNVLJENMKBRDLW-UHFFFAOYSA-N 353.430 2.505 0 50 FFAA C[C@H]1c2cccnc2CCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C 1875293889 GSQRWDDPIDUFOA-FUHWJXTLSA-N 352.482 2.883 0 50 FFAA CN(C)c1nc2ccc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)cc2[nH]1 1875294467 SPFBEGRRDYXMRX-MAUKXSAKSA-N 350.422 2.577 0 50 FFAA C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c12)[C@H]1CCCCN1 1875333822 MUVUODPWAAKIQI-JOYOIKCWSA-N 351.248 2.586 0 50 FFAA Cc1cccc(C(=O)N[C@H]2CCCN(c3nc4cccnc4s3)C2)n1 2325839120 JHQNLNGYAQPFMJ-ZDUSSCGKSA-N 353.451 2.794 0 50 FFAA CC[C@@](C)(NC(=O)NCc1ccc(-n2cncn2)nc1)c1ccc(F)cc1 875062680 UWROWYOQCGROQY-LJQANCHMSA-N 368.416 2.926 0 50 FFAA CCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC 863560 SDMMYBHYEFOUHE-UHFFFAOYSA-N 359.245 2.762 0 50 FFAA CCC[C@@H](C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 1049254 DKQISYINQRCFLN-SNVBAGLBSA-N 358.423 2.676 0 50 FFAA O=C(NC1Cc2ccccc2C1)c1cc2c(s1)C1(CCNCC1)OCC2 2356148229 MTKOOZVWQQFCDX-UHFFFAOYSA-N 368.502 2.797 0 50 FFAA S=C(NC[C@H]1CCCO1)Nc1ccc(I)cc1 2767292 YQNMPQJGCIZWJU-LLVKDONJSA-N 362.236 2.757 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 2865344 SNNQEAKCEAKGQD-OAHLLOKOSA-N 351.406 2.945 0 50 FFAA COc1cc([C@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)ccc1O 4911622 GTCKSSPIQTZTBG-LLVKDONJSA-N 359.378 2.901 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@@H](Cc2cccc(F)c2)C1 12076865 AMQRNIPAEJGOOS-AWEZNQCLSA-N 363.410 2.742 0 50 FFAA CN(CCc1ccccn1)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67513629 DAOBNYSXZABTGD-QFIPXVFZSA-N 373.541 2.880 0 50 FFAA COCCc1ncc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cn1 67920918 CCUPWIHIVPXHCY-SFHVURJKSA-N 358.461 2.559 0 50 FFAA Cc1nc([C@@H]2CCCNC2)cc(N(Cc2c(C)nn(C)c2C)C2CC2)n1 67754458 MTEQJAAAWBBYGY-MRXNPFEDSA-N 354.502 2.771 0 50 FFAA O=C1CC[C@@H](CNC2CCN(c3cccc(-c4cscn4)c3)CC2)N1 20600691 OIICTNHJQJVWDB-INIZCTEOSA-N 356.495 2.647 0 50 FFAA O=C1CCCN1CC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708623 AGDMUYIWUJWPHG-AWEZNQCLSA-N 357.237 2.516 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CCCO3)CC2)c1 67473256 SHNKBCKGLXIJPL-GOSISDBHSA-N 355.438 2.970 0 50 FFAA CN(Cc1noc(C2CC2)n1)C(=O)c1cc(COc2ccccc2)[nH]n1 67756375 ILEBBFYHCHMWOK-UHFFFAOYSA-N 353.382 2.521 0 50 FFAA Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1C(=O)N1CCOCC1 470447617 BTEFVJQVKQZYAA-UHFFFAOYSA-N 356.397 2.788 0 50 FFAA CCCN1CC2(CCN(Cc3cc(O)ccc3OC)CC2)C[C@@H]1C(=O)O 72469863 YNCVISMLGFGFSO-QGZVFWFLSA-N 362.470 2.552 0 50 FFAA CCO[C@H](CC)CNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 72168430 DZMPFBPOZOEOSH-OAHLLOKOSA-N 369.469 2.670 0 50 FFAA CC(=O)Nc1ccc2nc(CN3CCC(N4CCCC4=O)CC3)ccc2c1 71767774 QTJYJCGYQPVYCV-UHFFFAOYSA-N 366.465 2.780 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCCc1ccccc1 72418490 VSFXHWAQGVSVCE-FQEVSTJZSA-N 357.542 2.932 0 50 FFAA CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2ccccc2)on1 77353616 XYULGXQLCGJYFV-YLJYHZDGSA-N 361.401 2.874 0 50 FFAA c1nc([C@@H]2CCCO2)sc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 329649889 FMWMKUSZRGGFQF-RWMBFGLXSA-N 362.455 2.970 0 50 FFAA O=C(Cc1noc2ccccc12)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72151237 GHHWVZGIOOOHNS-FQEVSTJZSA-N 362.429 2.848 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCN(Cc4nccn4C)CC3)c2)n1 215194468 XRLBFHUNNPJFHY-UHFFFAOYSA-N 364.497 2.540 0 50 FFAA CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2-n2ccc(C)n2)C1 151119597 JIIOOWPNUPXDDX-INIZCTEOSA-N 369.469 2.951 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 331280361 KLUMJPBMIVFNKL-NKFCBESUSA-N 361.408 2.740 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@H]1CC13CCC3)C(=O)N(C1CCCC1)C2 71755413 UHTFUNJICLPVEV-MRXNPFEDSA-N 369.465 2.795 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c(C)c1 72437358 XSHHPKCWSKLZBF-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)c1ccoc1C1(O)CCOCC1 373941714 AJQYYNSYIQGSPU-IMJJTQAJSA-N 365.470 2.847 0 50 FFAA O=C(O)c1ccoc1CC1CCN(C(=O)[C@H]2COc3ccccc32)CC1 374124153 CFKZKQIDYOXTKZ-INIZCTEOSA-N 355.390 2.935 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71776297 PZHYPJPPXYHOIP-LJQANCHMSA-N 358.530 2.626 0 50 FFAA Cc1ccc(C2=NO[C@@H](CNC(=O)Cn3ccc(C(F)(F)F)n3)C2)cc1 282221319 SPODKVPAKHFVFZ-CYBMUJFWSA-N 366.343 2.520 0 50 FFAA CN(CCO)c1ccc(C(=O)NCc2nn(C)c3cccc(Cl)c23)cc1 220350252 JRFPBBBHTMTUHK-UHFFFAOYSA-N 372.856 2.585 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 220416427 QUOGORNFEHVVME-QZTJIDSGSA-N 360.841 2.768 0 50 FFAA Cc1nccn1CCCC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 82098590 GCQFGRKKWCZHAJ-UHFFFAOYSA-N 366.509 2.673 0 50 FFAA O=C(Cn1ccc2ccccc21)N[C@@H]1CCOC[C@H]1OCc1cscn1 223492646 XHCUMOYFHJKTJK-SJLPKXTDSA-N 371.462 2.588 0 50 FFAA OCCN(CC12CC3CC(CC(C3)C1)C2)c1cc([C@H]2CCOC2)ncn1 426414704 QRRPCLHTEMIYMY-QQABJKMWSA-N 357.498 2.996 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)c1 426407727 ZDDRGUCUHFULNC-UHFFFAOYSA-N 371.458 2.817 0 50 FFAA Cc1cccc(OC2CN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 82107703 VAEVBDJQSPYDHY-UHFFFAOYSA-N 358.482 2.620 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2ccccc2C)CC1 95390243 RMDWSFPLIILMJO-GOSISDBHSA-N 359.470 2.655 0 50 FFAA CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cs1 91551652 VWZMXFLKWJGEME-UHFFFAOYSA-N 364.511 2.538 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CCO1 238199680 WWDYDXPVBAPECM-GFCCVEGCSA-N 366.826 2.779 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1Cl 91412194 VPODCMZTKQNSSO-UHFFFAOYSA-N 366.889 2.546 0 50 FFAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@]2(CCNC2)C1 426396323 ALICUVSISHMLAT-GOSISDBHSA-N 361.877 2.544 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1 95376277 KHJWBKFBZQVANN-CQSZACIVSA-N 368.466 2.506 0 50 FFAA CCn1nc(Cn2cncn2)nc1CO[C@H](c1ccccc1)C(F)(F)F 96162370 FXKYRKVTCMWCHN-OAHLLOKOSA-N 366.347 2.758 0 50 FFAA O=C(O)[C@H](c1cccc2c1OCC2)N1CCN(c2ccc(Cl)cn2)CC1 95501376 ZHUORBAGRUFYHL-KRWDZBQOSA-N 373.840 2.618 0 50 FFAA CCCOC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 92028079 BHFWDDDWOTXBQG-UHFFFAOYSA-N 358.446 2.584 0 50 FFAA CN(C)[C@@H](C(=O)N(CCCO)Cc1ccc(F)cc1)c1ccc(F)cc1 95381432 OSFHJZJTJNFEDM-LJQANCHMSA-N 362.420 2.979 0 50 FFAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2oc(-c3cccc(F)c3)nc2c1 95521108 JIHKNAYJFGTJCR-AWEZNQCLSA-N 372.377 2.674 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1c(C)noc1C)C2 91655967 FDSZYCXYCOKWFO-DLBZAZTESA-N 359.470 2.640 0 50 FFAA CC(C)n1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1 95382946 ZZAFUWFLHJIBLV-SFHVURJKSA-N 366.465 2.743 0 50 FFAA CC(=O)C(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 95527413 ZAOUTBDSJQAINB-OAQYLSRUSA-N 372.509 2.804 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1F 91846354 BLXCIJZZZLTKDE-FUHWJXTLSA-N 369.440 2.966 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)c1cc([C@H]2C[C@H](N)C2)ncn1 244673613 HSMBTDNTYYDZRF-KOMQPUFPSA-N 352.417 2.643 0 50 FFAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1ccc2c(c1)CCC2 183432837 AZWQRXAQOBRBBC-OAQYLSRUSA-N 350.462 2.672 0 50 FFAA CCOc1ccc(-c2cccc(C(=O)N(CCO)Cc3ccco3)c2)nn1 534581069 NGHYVMFZJNQHLT-UHFFFAOYSA-N 367.405 2.770 0 50 FFAA CC(C)CC(=O)N1CCC(NC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 363407879 HRDQRJPQCVQOJA-IBGZPJMESA-N 373.497 2.886 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1 299790892 BUKFLTGEVZQQDF-OAHLLOKOSA-N 363.421 2.617 0 50 FFAA CC(C)(C)c1cc(CN2CCC[C@H](CNC(=O)c3cscn3)C2)[nH]n1 828210175 WPCZNGQOLRUNEP-CYBMUJFWSA-N 361.515 2.806 0 50 FFAA Cc1csc([C@H](C)CNC(=O)N(C)Cc2nc(-c3ccccn3)no2)n1 584885534 ZAOQDKGAKJRQMX-LLVKDONJSA-N 372.454 2.842 0 50 FFAA O=C(NCCN1CCCC1=O)c1ccc(-c2ccc3oc(O)nc3c2)cc1 584889365 VZLFYHTVBZNAOY-UHFFFAOYSA-N 365.389 2.553 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 584900294 RZVKXOBZDZOWDB-CQSZACIVSA-N 372.400 2.638 0 50 FFAA CCCn1ncnc1-c1ccc(C(=O)NCc2ccc(O)c(OC)c2)cc1 584901568 OWYZOTMLVAKREV-UHFFFAOYSA-N 366.421 2.999 0 50 FFAA CCCn1nccc1S(=O)(=O)NC1CCN(c2cccc(C)c2)CC1 670460777 SSRVUFGGHDCTRG-UHFFFAOYSA-N 362.499 2.549 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2c(C)nc3ncccn23)C1 670462631 ZHGITEXOTWMYAY-QGZVFWFLSA-N 363.465 2.565 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3CCC[C@@](CO)(CN(C)C)C3)cc2c1 952977771 OKOXZBZWBMFRIM-OAQYLSRUSA-N 357.498 2.693 0 50 FFAA O=C(CSc1ccccn1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565507203 BRSOUXTWQPRFDQ-ZBFHGGJFSA-N 374.535 2.753 0 50 FFAA O=S(=O)(c1ccco1)N1CCN(Cc2c(F)cccc2Cl)CC1 188568048 FBRKGPVBJOKRCD-UHFFFAOYSA-N 358.822 2.579 0 50 FFAA CCCc1cc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n2ncnc2n1 189269041 ZMYHQMNVIAZVSK-MRXNPFEDSA-N 359.380 2.933 0 50 FFAA CCC1=C(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CCCO1 190091933 SFWXLEZHLSBHJN-GOSISDBHSA-N 358.438 2.895 0 50 FFAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccc(-c2ccccc2C)cc1 210206262 LTJKZOKYGLCZNT-MJGOQNOKSA-N 353.418 2.801 0 50 FFAA Cc1noc(C)c1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529093882 AWFQDPRMUJBOAJ-CRAIPNDOSA-N 351.406 2.827 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)o1 1529194754 CKUGRBPEGAOBOZ-CRAIPNDOSA-N 365.433 2.769 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4cccc(C)c4nc3C)C[C@@H]2O)on1 1704354069 YMDQUCPZJIPMQD-APWZRJJASA-N 365.433 2.824 0 50 FFAA Cn1cc(-n2nc(C3CCOCC3)nc2COCc2ccccc2)cn1 1772817162 KMBYEGGXVUKUIS-UHFFFAOYSA-N 353.426 2.612 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)Cn1ccnc1C 11819606 UPVZTHFLLJTEMU-UHFFFAOYSA-N 352.394 2.704 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)CCc1nnc(COc2ccccc2)o1 12301101 YYGNNCKOTLCBAK-QGZVFWFLSA-N 373.453 2.999 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CN1CCC(O)CC1 12308303 PBZRUFLWDQRKTG-UHFFFAOYSA-N 369.465 2.564 0 50 FFAA O=C(NCc1cccnc1N1CCc2ccccc2C1)C1CCOCC1 15065184 BMASFQIHXIHZGN-UHFFFAOYSA-N 351.450 2.687 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccoc1 15071282 KDMAZBNBGHCCMB-QGZVFWFLSA-N 350.378 2.709 0 50 FFAA CC(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO 19224134 MMFJAADTNCXELR-FQEVSTJZSA-N 360.477 2.536 0 50 FFAA COc1ccc(OC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19537203 IJCIVJIZUQQBKZ-UHFFFAOYSA-N 370.449 2.750 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](n3cc(-c4nc(C)no4)nn3)C2)c1 169777694 GNPHLFRHGKNLHX-MRXNPFEDSA-N 366.425 2.731 0 50 FFAA O=C(CCC(F)(F)F)N1[C@H]2CC[C@H]1CN(c1ncnc3scnc13)C2 1857533125 YBWJNRCWEYLHTK-UWVGGRQHSA-N 371.388 2.608 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)c3ccncc3)CC1)OCC2 1857686525 ABVFSSCEDRPFMF-UHFFFAOYSA-N 358.419 2.546 0 50 FFAA O=C(O)[C@]1(CC2CC2)CN(C2CCN(Cc3ccccc3)CC2)CC[C@H]1O 1875245580 GPKONQIAXMYQGV-IFMALSPDSA-N 372.509 2.589 0 50 FFAA O=C(NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)C1(O)CCC1 120943598 AYTXWXSECAIIKU-GOSISDBHSA-N 350.418 2.878 0 50 FFAA C[C@@H](NC(=O)c1noc2c1CCCC2)c1ncc(Br)cn1 329129388 VYGRZONFAGWTKU-MRVPVSSYSA-N 351.204 2.597 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 238089006 CCHKOIYYXZQFDD-RWMBFGLXSA-N 353.365 2.551 0 50 FFAA O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 370639941 MCSRHFBBMHEYDS-UAGQMJEPSA-N 360.841 2.890 0 50 FFAA O=C(c1cn(Cc2ccccn2)nn1)N1CCC(Cc2ccccc2)CC1 266244263 PXEUCTPMPXXYMS-UHFFFAOYSA-N 361.449 2.816 0 50 FFAA Cc1cnn(C[C@@H]2CN(c3nc(-c4cccnc4)nc(C)c3C)CCO2)c1 266412692 QVAAIEXHVQPVBT-SFHVURJKSA-N 364.453 2.566 0 50 FFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 838956658 WDYRIINQTDDQHB-DRZUPDRUSA-N 370.323 2.966 0 50 FFAA Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCO[C@@](C)(C2CC2)C1 823034998 UAJFBLAQHCMGME-LJQANCHMSA-N 358.442 2.557 0 50 FFAA Cc1cnncc1NC(=O)N1C[C@@H](C)C(NC(=O)OC(C)(C)C)[C@H](C)C1 1875295960 CSBHHAWFWSWGTN-CHWSQXEVSA-N 363.462 2.798 0 50 FFAA Cn1c(C(=O)N2CCN(c3ccc(F)cc3F)C(=O)C2)cc2ccccc21 1875336323 CNEQLSRCNJBABI-UHFFFAOYSA-N 369.371 2.946 0 50 FFAA Cc1nc2c(C(=O)NC[C@@H]3CCN3C(=O)C(C)(C)C3CC3)cccc2o1 1875346187 WFMCSGHCDHWQOQ-AWEZNQCLSA-N 355.438 2.903 0 50 FFAA CN(C(=O)c1cncc(NCC2CC3(CCOCC3)C2)n1)[C@@H]1[C@H]2CCC[C@H]21 1875361379 YCZZTYPYMHHWLQ-MNZLEMJZSA-N 370.497 2.966 0 50 FFAA O=C(c1ccc(Nn2ccnc2)cc1)N1CCCN[C@H](c2ccccc2)C1 1875324527 BWDVOUOAFXAKKO-FQEVSTJZSA-N 361.449 2.935 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)CC1 1875366116 NQGGNKNNZNHNDF-NRFANRHFSA-N 356.466 2.610 0 50 FFAA Cc1cc(-c2cc(C(=O)NS(C)(=O)=O)c3c(C)noc3n2)c(C)s1 1875390560 LNZFGKWYCDPWLM-UHFFFAOYSA-N 365.436 2.566 0 50 FFAA O=C([C@@H]1CC[C@H](C2CC2)N1)N1CCC2(CCc3ccccc3C2=O)CC1 888094027 XHFSGXJZGYWTIQ-MOPGFXCFSA-N 352.478 2.955 0 50 FFAA COCCc1noc(CN[C@H]2CCN(Cc3ccccc3)CC2(C)C)n1 374533299 AWEHPLMWWSJIRU-KRWDZBQOSA-N 358.486 2.649 0 50 FFAA O=C(NCC1CC(c2ccccc2)C1)N1CCN(c2ccncn2)CC1 2325776093 JFWHVXNAQULZHH-UHFFFAOYSA-N 351.454 2.502 0 50 FFAA C[C@H]1CN(CC2COCOC2)CCc2cc(Br)c(O)cc21 2325779012 AMVTWLGDTHPGJL-NSHDSACASA-N 356.260 2.737 0 50 FFAA O=c1c2ccccc2ncn1CCN1CCC[C@@H](c2ccc(CO)cc2)C1 2325809772 KIMYONWSFGITIP-LJQANCHMSA-N 363.461 2.768 0 50 FFAA CN1C[C@]23CCC[C@]2(C1)CN([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C3 2325828558 KSMCOCNTQITDPG-JBACZVJFSA-N 357.473 2.563 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc(F)cc(C(N)=O)c1 2325864228 JMZDOYMWMJMRJE-UHFFFAOYSA-N 367.380 2.861 0 50 FFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 670989 MTNYJKJMGUSYES-UHFFFAOYSA-N 350.362 2.608 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 789598 VGAHPSZNXPCKCO-UHFFFAOYSA-N 372.490 2.712 0 50 FFAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 873396 NOBUSILIKLGBSU-UHFFFAOYSA-N 357.362 2.702 0 50 FFAA Cc1c(CC(=O)O)c(=O)oc2cc(O[C@H](C(=O)O)c3ccccc3)ccc12 2146782 NQHVNLINTKEZCO-SFHVURJKSA-N 368.341 2.933 0 50 FFAA biogenic Nc1cncc(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)cc2)n1 2356135764 SBTXTGXOQFZCNO-IBGZPJMESA-N 373.460 2.730 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)c3c(C)n[nH]c3C)C2)[C@@H]2CCCC(=O)N12 2356139879 LADJCWACHSWSGR-YVSFHVDLSA-N 358.486 2.668 0 50 FFAA CCCCN1CCN(c2noc(-c3ccc(OC)cc3)c2C(=O)O)CC1 2356153820 WLLGIFBSUXDQRL-UHFFFAOYSA-N 359.426 2.971 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 6725519 ZMEYISUUTDXDMZ-UHFFFAOYSA-N 373.478 2.842 0 50 FFAA CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 6745196 HYGVJILBDFHNLE-UHFFFAOYSA-N 367.449 2.725 0 50 FFAA Cc1ccc(CN2C[C@H](C(=O)NCc3sc(C)nc3C)CC2=O)cc1 55242246 CDCNJUUFVCPNJH-MRXNPFEDSA-N 357.479 2.733 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)cc1 55462682 HATAYPNEKXQEMF-HZPDHXFCSA-N 352.500 2.580 0 50 FFAA CCSc1nc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)cs1 55369028 XOFQFVHIDFGZHQ-HNNXBMFYSA-N 369.556 2.511 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)[C@@H]2COc3c(cccc3OC)C2)CC1 67692697 FGHRMDGRCSCHEZ-KRWDZBQOSA-N 369.465 2.938 0 50 FFAA CC[C@H](C(=O)N1CCCCCC1)N(c1ccccc1F)S(C)(=O)=O 67603418 QJAQGGFUGLJXOJ-OAHLLOKOSA-N 356.463 2.773 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2cccc(Cl)c2n1C)C(=O)O 67446936 AITLLACKSUKRLS-CQSZACIVSA-N 360.801 2.727 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)c2cc(C)n3nc(C)cc3n2)CC1 67840479 ZXSBFKWIJXUNED-UHFFFAOYSA-N 352.442 2.651 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(NCC[C@@H]3CCCN3C)c12 72408914 KQWWXEIVZNNPQV-AWEZNQCLSA-N 351.458 2.630 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2ncnc3c2c(C)nn3C)n1 72479962 BHZFHDUWPWHLKG-SECBINFHSA-N 367.379 2.944 0 50 FFAA CCCCNC(=O)CN(C)c1cc(-c2ccccc2F)nc2ccnn12 72143159 RVAIUEJCEAMKSZ-UHFFFAOYSA-N 355.417 2.888 0 50 FFAA O=c1oc2ccccc2n1CCN1CCC2(CC1)c1ccccc1C[C@H]2O 72152668 OGJXBBNZRZRAIV-HXUWFJFHSA-N 364.445 2.545 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccnc(N(C)C)n3)C2)cc1 426240418 RAUAFMREOONRNY-NVXWUHKLSA-N 353.470 2.939 0 50 FFAA CN(C)C1(CNC(=O)COc2ccc(Cl)c(Cl)c2)CCOCC1 73132175 MKOUDQMNZVSSHB-UHFFFAOYSA-N 361.269 2.599 0 50 FFAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CCN2CCCC2=O)c1C 12589482 CLAUUYLYZQCLEP-HNNXBMFYSA-N 354.454 2.679 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71776298 PZHYPJPPXYHOIP-IBGZPJMESA-N 358.530 2.626 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 151707316 NGIUCQBZRRRBGC-GOSISDBHSA-N 354.454 2.871 0 50 FFAA Cc1cccc(OCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1C 72410686 SZDORTXENULCPI-SFHVURJKSA-N 360.498 2.642 0 50 FFAA O=C(O)c1cc(-c2cc(F)c(F)c(F)c2)cc(S(=O)(=O)NC2CC2)c1 71759911 NLVYGVYUNGWWRH-UHFFFAOYSA-N 371.336 2.910 0 50 FFAA O=C(Cc1nc(CN2CC[C@@]3(CCOC3)C2)cs1)Nc1ccccc1 153724255 NVYREPNAOFMVAB-LJQANCHMSA-N 357.479 2.937 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]c2=O)C1 72133780 MCMAQEKTAIENKT-QGZVFWFLSA-N 361.445 2.947 0 50 FFAA CCc1ccc([C@@H](COC)NC(=O)NCc2ccc(-n3ccnc3)nc2)o1 363326049 PBLMMYJWYNZCJQ-MRXNPFEDSA-N 369.425 2.610 0 50 FFAA CCn1ccnc(N2CCC(N[C@H](C)c3ccc4c(c3)COC4)CC2)c1=O 330040701 BJWPSEWIPZSGDX-OAHLLOKOSA-N 368.481 2.613 0 50 FFAA COc1ccccc1CN1CCC(c2nnc(CN3CCCC3)n2C)CC1 77471536 OPYKNPUEXFOKHZ-UHFFFAOYSA-N 369.513 2.799 0 50 FFAA Cc1cc(-c2ncccc2NC(=O)NCc2cc(C(N)=O)no2)cs1 376283631 NRIPENVCPPHWMM-UHFFFAOYSA-N 357.395 2.527 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(c2nccc3c2C(=O)OC3(C)C)C1 368770822 SOIZCZHQNIYKHG-CYBMUJFWSA-N 357.410 2.887 0 50 FFAA CC(C)=CCN1CCN(Cc2nc3ccccc3nc2C)C[C@H]1CCO 39406171 AZNIAVFSLVNGDQ-GOSISDBHSA-N 354.498 2.773 0 50 FFAA Cc1ccc(C)c(OCCCN(C)C(=O)[C@H]2CC3(CCNCC3)CN2C)c1 72424838 PQDCZTMUVQUMRS-LJQANCHMSA-N 373.541 2.605 0 50 FFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237540809 VVLWDJPRKOTYLH-RISCZKNCSA-N 359.344 2.586 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=S)NCc2cccs2)cc1 17073524 RTTGAJJFYWCCBI-UHFFFAOYSA-N 355.510 2.533 0 50 FFAA Cc1cc(CO)oc1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 284950675 JDDZKMWNOQNXOL-QGZVFWFLSA-N 359.422 2.779 0 50 FFAA Cc1ccc(C)c(OCC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1C 222710151 MKUBLJYOULUNDA-OALUTQOASA-N 361.482 2.939 0 50 FFAA CN(C)[C@H](C(=O)NCc1cc2cc(F)ccc2[nH]1)c1ccc2c(c1)OCO2 223939354 MJGRNJTYOICAMR-IBGZPJMESA-N 369.396 2.955 0 50 FFAA Cc1ccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)cc1 82121327 SDLBNAHNYLEUAT-UHFFFAOYSA-N 366.465 2.654 0 50 FFAA Cc1ccc(OCc2occc2C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc1 221438788 MZHBRGZUMJSEMH-HXUWFJFHSA-N 370.405 2.834 0 50 FFAA O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccn(-c2c(F)cccc2F)n1 161233448 NANTZJLNMUEDFY-ZDUSSCGKSA-N 369.375 2.554 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2ccncc2C)n1 426711992 FYZGBLJHXLNVRT-UHFFFAOYSA-N 367.375 2.891 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(CCC(F)(F)F)CC1 91858224 GINHELMVHCQQMY-UHFFFAOYSA-N 370.423 2.983 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(CC(C)C)nn1C)C2 91964727 XWVIHAKKFCXUMF-FUHWJXTLSA-N 372.513 2.648 0 50 FFAA CNC(=O)[C@H](C)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O 92066046 ZWVXYZRPGAYMME-QGZVFWFLSA-N 350.462 2.977 0 50 FFAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NS(=O)(=O)N2CCCC2)cc1C 91364597 VRSHXDAWBKONQX-SFHVURJKSA-N 374.510 2.797 0 50 FFAA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccncc3Cl)C2)CC1 95500226 RNPWOFLPJOLEEC-INIZCTEOSA-N 364.921 2.501 0 50 FFAA CCc1cccc(OCCN(C)C(=O)CN2CC3(CCCC3)CC2=O)c1 95505105 BOCAIMFJTNLCAK-UHFFFAOYSA-N 358.482 2.879 0 50 FFAA Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1C 91650331 YNPNWAQIISWCMV-LJQANCHMSA-N 360.498 2.786 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCN(Cc1cccc(C(F)(F)F)c1)C2 91473898 HUSSOZMIZZBVCM-KRWDZBQOSA-N 356.388 2.512 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nncn1C1CCCCC1)C2 91706531 RFSUVPXAGNFXSH-HNNXBMFYSA-N 370.453 2.659 0 50 FFAA COCc1cc(CNC(=O)Nc2cc(OC)cc(C(F)(F)F)c2)n[nH]1 96159889 MRCCHVZLJOHSRR-UHFFFAOYSA-N 358.320 2.905 0 50 FFAA CCCc1cc(N2CCC(NCc3cnc(SC)n3C)CC2)nc(C)n1 96150903 FMGZXNMUJFPWIJ-UHFFFAOYSA-N 374.558 2.952 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@@H]1CCCN(C2CCOCC2)C1 97766465 NJSCVLAYYCQXBD-CYBMUJFWSA-N 354.853 2.986 0 50 FFAA COc1cccc([C@H]2CN(c3nccnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 95368245 MJDGLPHOBGRRHH-VAMGGRTRSA-N 350.466 2.860 0 50 FFAA Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239025258 BIDMMKCOZVKTBE-ZONKCHNNSA-N 364.445 2.684 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1CCCC[C@@H]1CN1CCOCC1 97743466 HVQSNJBKRXXGMY-OAQYLSRUSA-N 354.498 2.867 0 50 FFAA Cc1cc(F)cc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 91986082 MCGRUOHEIYKJMM-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)nc(N)n1 95376354 TUEUDEOCHIHXET-KRWDZBQOSA-N 365.481 2.600 0 50 FFAA Cc1cc(C(=O)NCc2nncn2C2CC2)nn1-c1cccc(Cl)c1 180285792 SRVLEVOLFHUYRQ-UHFFFAOYSA-N 356.817 2.691 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc(CSc2nnc[nH]2)o1 244795244 RCFUFMISZJZDOY-CQSZACIVSA-N 370.434 2.766 0 50 FFAA O=C(CCc1ccc(Cl)cc1)N[C@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 244858620 VOQXGMOYLMUAPK-HHXXYDBFSA-N 350.890 2.528 0 50 FFAA Cc1oc2c(c1C(=O)NCc1csc(-c3ncccn3)n1)C(=O)CCC2 244866671 WALKKEZOCIHVCN-UHFFFAOYSA-N 368.418 2.951 0 50 FFAA COc1ccc2oc(C(=O)N(CCC(=O)O)C3CCOCC3)c(C)c2c1 299747757 DYMDJVMIUVAKHP-UHFFFAOYSA-N 361.394 2.846 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCCOCc1ccccc1)C2 1073372464 AYPIIZDPHWOECA-MOPGFXCFSA-N 373.497 2.588 0 50 FFAA CN1CCN(CCC(=O)NCc2ccc(-c3ccccc3Cl)o2)CC1 299786685 OLZFMGWKULMLEB-UHFFFAOYSA-N 361.873 2.854 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)NCCCSCc1ccccc1Cl 584889350 YVIOIHUKGYGNMN-OAHLLOKOSA-N 369.918 2.883 0 50 FFAA Cc1cccn2cc(C(=O)N3CCc4nc[nH]c4[C@H]3c3cccnc3)nc12 952987402 MKPCJGHMTDOITE-GOSISDBHSA-N 358.405 2.549 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)c1coc(CN2CCOCC2)c1 952963271 IMMUIVRQAQLHMJ-UHFFFAOYSA-N 352.394 2.550 0 50 FFAA CCn1cnnc1[C@@H]1CCCN(c2ncnc3cc(F)c(OC)cc23)C1 302538005 FGDPHUUPTGPFQT-GFCCVEGCSA-N 356.405 2.773 0 50 FFAA Cc1sc(CCNC(=O)c2cccn(C)c2=O)nc1-c1ccccc1 409712750 UITLZRZYBBUUJO-UHFFFAOYSA-N 353.447 2.790 0 50 FFAA O=C(NC1CCN(c2ccccn2)CC1)c1ncsc1C(F)(F)F 170614574 MRRKIZJDIYWOHO-UHFFFAOYSA-N 356.373 2.956 0 50 FFAA Cn1ccnc1NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1 1506414116 OITCEKOGARXVBY-UHFFFAOYSA-N 361.467 2.664 0 50 FFAA O=C(NC[C@H]1CCCO1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 825016 CHKMIGFFKMVGNX-XWALVKJWSA-N 350.418 2.753 0 50 FFAA COc1ccc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1Cl 1704354624 JVOHLJPQWYHYRT-UHFFFAOYSA-N 350.850 2.584 0 50 FFAA Cc1cccnc1[C@H](Nc1ccc(C(=O)N2CCOCC2)cn1)C1CC1 1704338405 UDWFDFDABXIGNZ-LJQANCHMSA-N 352.438 2.821 0 50 FFAA O=C(Cc1ccccc1)N1CCCN(C(=O)NCc2cccs2)CC1 1772805192 JIXDFEULIDNGLW-UHFFFAOYSA-N 357.479 2.735 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cnn3cccc(C)c23)c1C 1772703375 XBNIIIKQZUQGLA-UHFFFAOYSA-N 369.469 2.765 0 50 FFAA Cc1ccc(CN[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)o1 12714022 QULKQPJMGWSOCO-SFHVURJKSA-N 356.470 2.754 0 50 FFAA Cc1cc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)nn1C 13594846 IDJKUJYPRRKHBM-UHFFFAOYSA-N 362.336 2.504 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cc(Cl)ccc1Cl 13942757 PYZCUHUAMFBDKA-DYEKYZERSA-N 356.253 2.721 0 50 FFAA CC[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)C[C@H]1O 332138472 LPNGNSQXFBNATM-BXKDBHETSA-N 370.787 2.701 0 50 FFAA CC(C)(CC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C(=O)O 236796212 JIPUVQBDXRFVLA-NSHDSACASA-N 369.259 2.645 0 50 FFAA Cc1cc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c(C)o1 152501260 YPEHSBQSLYFKQI-UHFFFAOYSA-N 354.454 2.964 0 50 FFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)n[nH]1 366602041 BVAGSXIUZVRULB-KRWDZBQOSA-N 350.426 2.725 0 50 FFAA O=S(=O)(NCc1noc(-c2ccc(Cl)cc2F)n1)c1ccco1 373305693 PTQZBHXVBWASHU-UHFFFAOYSA-N 357.750 2.601 0 50 FFAA COCc1noc([C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)n1 864097309 OVCVLUXFAXRIBM-AWEZNQCLSA-N 353.444 2.590 0 50 FFAA CCOC(=O)[C@@H](C[C@@H]1CCOC1)NCC(=O)Nc1ccccc1C(C)C 1875281805 XYTWYBRLSDKDSY-MAUKXSAKSA-N 362.470 2.696 0 50 FFAA CN(C)c1ccc(CNC(=O)NCc2ccc(C(C)(C)C)nc2O)nc1 1875278257 MAZVZMLMKHUBCB-UHFFFAOYSA-N 357.458 2.545 0 50 FFAA COc1c(Cl)cccc1C(=O)NCCc1cnn(-c2ccccc2)n1 1875316510 VTTXKWNUEYBJHG-UHFFFAOYSA-N 356.813 2.902 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCN(C)C)Cc3cccc(F)c3)n[nH]c21 1875394681 RSGIFGGSQOJNJY-KGLIPLIRSA-N 374.460 2.775 0 50 FFAA C=CC(=O)N(C)CC(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1 1875366250 CKMGPKJZXZFLRK-UHFFFAOYSA-N 374.466 2.718 0 50 FFAA COc1cc(Br)cc(N2C(=O)N[C@@H]([C@H]3C[C@@H]4C[C@@H]4C3)C2=O)c1 1875304173 CDFXPDGQDSBEID-JIXVBMEVSA-N 365.227 2.929 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400460 AMSZTCLCWLEDNB-NIKGAXFTSA-N 364.449 2.563 0 50 FFAA CC[C@]1(Cc2ccccc2)CCCN1S(=O)(=O)N1CCC(OC)CC1 888102150 IKNIRLGMUCOSTK-LJQANCHMSA-N 366.527 2.829 0 50 FFAA O=C(N[C@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)C1CCCCC1 4452611 ZLVXPTGTEODRDW-MRXNPFEDSA-N 353.344 2.518 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 11690506 HEZNDUULGIVIOD-UHFFFAOYSA-N 370.800 2.714 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)c2cnc(C4CCNCC4)nc2)C3)cc1 2325787829 ZINGJNRSPKTAMN-SIKLNZKXSA-N 362.477 2.666 0 50 FFAA Brc1cnc2nc(N3CCN(c4cnccn4)CC3)ccc2c1 2325789447 QUCOEMJDJOUUFZ-UHFFFAOYSA-N 371.242 2.509 0 50 FFAA CN(C)Cc1ccccc1NC(=O)c1nc2ccc(Br)cn2n1 2325856351 MEEIGBHSNLFSRS-UHFFFAOYSA-N 374.242 2.806 0 50 FFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2)cc1 665928 BLDPTZPFQFBWHX-UHFFFAOYSA-N 352.500 2.612 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2cccnc2)c1 806119 BHTHTILAYPDUAZ-UHFFFAOYSA-N 368.842 2.985 0 50 FFAA COC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 1015682 REVJLUNGAAKXGM-HOTGVXAUSA-N 372.808 2.816 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(Cl)c2C)C1=O 2356163746 PNIVXDTWPFICSX-LJQANCHMSA-N 364.873 2.892 0 50 FFAA Nc1cncc(-c2ccc(C(=O)NCCc3nc4c(s3)CCC4)cc2)n1 2356164086 DZPOFCPWCMCYJJ-UHFFFAOYSA-N 365.462 2.644 0 50 FFAA Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(CN3CCCCC3)C2=O)cc1 54360499 XDIJSWZKNYOEDF-HNNXBMFYSA-N 361.467 2.831 0 50 FFAA CN1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 104198775 SVOBZVLLVSCWOK-QBBMROGASA-N 355.320 2.884 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 43772413 SAKGBZWJAIABSY-GVBYODJYSA-N 352.471 2.819 0 50 FFAA in-vitro C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 67612612 OYAYYVDDUOSBTQ-CVEARBPZSA-N 366.527 2.531 0 50 FFAA OCC[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1C1CCCCC1 22919339 JVAYHJZRKAVTNC-LJQANCHMSA-N 370.497 2.938 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)CCc1nc2ccccc2s1)C(=O)O 67954621 MEFBWZWODYWTQV-INIZCTEOSA-N 358.423 2.511 0 50 FFAA O=C(NC[C@@H]1CCCCO1)c1cc(COc2c(F)cccc2F)on1 67965356 GTBNIQTXBXJLNB-NSHDSACASA-N 352.337 2.831 0 50 FFAA Cc1cc(CNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)ccn1 67849945 WYAIWGFVBXFTHZ-NRFANRHFSA-N 359.514 2.804 0 50 FFAA c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 3861212 YSSSPARMOAYJTE-UHFFFAOYSA-N 360.406 2.949 0 50 FFAA biogenic,in-vitro CO[C@H](C(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 121946040 JDTVKYNRBXLKRZ-IBGZPJMESA-N 352.434 2.749 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)CC[C@H]1CCCCO1 328643776 YXDAJCTZHGIVJU-ILZDJORESA-N 362.518 2.611 0 50 FFAA COc1ccccc1-n1cc(CN2CCN(c3ncccc3C)CC2)cn1 72143817 WQFIEARQODEPCA-UHFFFAOYSA-N 363.465 2.907 0 50 FFAA CC(C)(C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 236692358 AXLZYHYFKQVQKQ-ZDUSSCGKSA-N 359.344 2.685 0 50 FFAA C[C@@]1(C(=O)N2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)CC=CCC1 333042483 FGVYKGWSFJHVSZ-DYESRHJHSA-N 372.513 2.694 0 50 FFAA O=C(CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1)N1CCC1 372200288 OILUDFGERRRCDK-INIZCTEOSA-N 360.502 2.994 0 50 FFAA CCOC(=O)CN1CCC2(CC1)CCN(C(=O)c1ccccc1OC)CC2 72121118 BJUOZNVMYWHVIM-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(-c3ccccc3)o2)n1 373431359 PDJDZVSZAZWJAX-UONOGXRCSA-N 353.378 2.840 0 50 FFAA CC(=O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)nc1C 157976281 GFNRZLCFYNQEKW-HXUWFJFHSA-N 351.450 2.873 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237731641 IZDYYGJHULGZFJ-SJLPKXTDSA-N 372.465 2.589 0 50 FFAA COc1ccc2[nH]nc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)c2c1 77459798 PFYMYUOVKNYEHN-MRXNPFEDSA-N 366.421 2.788 0 50 FFAA Cc1cccc2[nH]cc(CCNC(=O)N3CCC[C@H]3CN3CCOCC3)c12 174706331 DVSDAZYRWBSGSS-SFHVURJKSA-N 370.497 2.525 0 50 FFAA COc1ccccc1CCC(=O)N1CCN(c2ccccc2OC)C(=O)C1 82099681 VJTMOFYVMYCCFW-UHFFFAOYSA-N 368.433 2.512 0 50 FFAA Cn1ncc(NC(=O)Cn2nc(-c3ccccc3F)c3ccccc32)n1 48441258 CIHOMAIPFPTTMM-UHFFFAOYSA-N 350.357 2.610 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3nc(C)c4c(n3)CCCC4)C2)n1 426701356 DXEDDTPWJWQOHZ-MRXNPFEDSA-N 368.485 2.634 0 50 FFAA COCCCN1CCC[C@@]2(CCN(c3ncnc4sc(C)cc34)C2)C1=O 91745903 JCZVAPIJBSTNTB-IBGZPJMESA-N 374.510 2.855 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CC[C@H](CN)C3)c2C)cc1 178571833 CJXNNOQAOBLXJV-LJQANCHMSA-N 354.498 2.596 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cccc(O)c2)CC1 95379667 SAHDFUHNRLLBKC-KRWDZBQOSA-N 369.465 2.546 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1n[nH]c2c1CCC2 426507871 MDUHHFBTITYKPU-GFCCVEGCSA-N 356.426 2.572 0 50 FFAA O=C(NCc1cccc(Cn2cnc3ccccc32)c1)N[C@H]1CCOC1 179014253 BANPDSIMJBYIDH-KRWDZBQOSA-N 350.422 2.673 0 50 FFAA C[C@H](C(=O)N1CCC[C@@H](c2nncn2C)C1)[C@H]1OCCc2sccc21 292408862 YVTOLPDVJFJJII-WOSRLPQWSA-N 360.483 2.533 0 50 FFAA COc1ccc(C(=O)Cn2cc(-c3ccc4c(c3)OCO4)n(C)c2=N)cc1 334157561 LPYWDWJJHOABQF-UHFFFAOYSA-N 365.389 2.593 0 50 FFAA CC(C)c1ccc(NC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)cc1 95376523 NVOOBPOUPFSIOU-INIZCTEOSA-N 373.453 2.739 0 50 FFAA Cc1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c(=O)[nH]c1C 91695235 UZBBZYMJRHEUCC-UHFFFAOYSA-N 365.477 2.655 0 50 FFAA CC(C)=CCN1CCC2(CCN(Cc3cnc(C)n3C)CC2)[C@H](CO)C1 97447055 WJEGYTOXZOWSKB-IBGZPJMESA-N 360.546 2.591 0 50 FFAA COCC[C@]1(CO)CCCN(Cc2cc(Cl)cc(OC)c2OC)C1 91505101 MBJLLCLNJWOEHM-GOSISDBHSA-N 357.878 2.968 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(c1nc3ccccc3s1)CCN2C 95381858 UKVXMPLWXWYUDU-LJQANCHMSA-N 358.511 2.819 0 50 FFAA CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 91756106 ONEWQWNJCVYLIY-JKSUJKDBSA-N 356.495 2.921 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=O)[nH]1 91858766 JOPZDCLDEFKWOU-AWEZNQCLSA-N 365.437 2.641 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@H]1CCn1cccn1 244718939 LTTTZWZTNBNRQD-SFHVURJKSA-N 362.499 2.505 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCCN(CCCc4ccccc4)CC3)ncn2)C1 243915037 BMAISKWFKLAPGL-BGYRXZFFSA-N 366.509 2.860 0 50 FFAA CCc1ccc(NC(=O)CCN2CCC[C@H](CN3CCCC3=O)C2)cc1 244724049 MMMNEXJVVMCCJL-SFHVURJKSA-N 357.498 2.912 0 50 FFAA O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H](O)CC1 297170276 ADOBFUUSOAFDKG-ZANVPECISA-N 373.222 2.578 0 50 FFAA O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(-n2cc(CO)nn2)cc1 184250636 SGZYNHNYSGYKHX-CQSZACIVSA-N 364.405 2.655 0 50 FFAA CC[C@H](NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1)c1ccnn1C 534673899 CUOFVZSJYJCGHX-INIZCTEOSA-N 364.453 2.824 0 50 FFAA CCCc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)o1 299775765 JHLXFIAXVHRTHZ-UHFFFAOYSA-N 352.442 2.847 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299789826 ADZRICNJCDZJOK-HOTGVXAUSA-N 366.377 2.649 0 50 FFAA Cc1c(NC(=O)c2scc3c2OCCO3)cccc1-c1nncn1C 828231547 BCZZJVRGQDJSBG-UHFFFAOYSA-N 356.407 2.876 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)N1CCC[C@@H](c2ncc[nH]2)C1 584897419 PHJOYBSNQOUIOS-GFCCVEGCSA-N 372.454 2.534 0 50 FFAA CN1CCC2(CC1)CCN(C(=O)NCCOc1ccc(Cl)cc1)C2 584889969 FFPSQJPSTBIZRV-UHFFFAOYSA-N 351.878 2.846 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N3CCCC3)cc2c1 1565529682 FYXLWSVNEKNJTH-CZGNIMDHSA-N 365.477 2.833 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1ccncc1Cl 1565526202 UXBDBJJUSFEXKK-HOTGVXAUSA-N 350.777 2.840 0 50 FFAA Cn1nncc1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 409828739 BOWLVPUQMMJWEC-UHFFFAOYSA-N 354.320 2.889 0 50 FFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)c2csc([C@@H]3CCCO3)n2)c1 167012778 QYLAKXMMTGRQBO-ZDUSSCGKSA-N 370.427 2.561 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)N3CCN(c4cccnn4)CC3)n2)cc1F 170649527 YZSDYMGTFUUQGB-CQSZACIVSA-N 368.416 2.857 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCC([C@H]3CCCO3)CC2)nn1 187514438 BLJFSSSMFXAENU-GOSISDBHSA-N 358.417 2.746 0 50 FFAA CCc1nc(C2CCN(C(=O)Cc3cc(Cl)ccc3OC)CC2)n[nH]1 191527555 MHJJQXVVIMEEGT-UHFFFAOYSA-N 362.861 2.978 0 50 FFAA CC(C)C[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC[C@]1(C)O 1616102156 OYNDRVQSABKRAR-VFNWGFHPSA-N 371.481 2.501 0 50 FFAA O=C(Cc1nc2ccccc2o1)N1CCN(c2ncccc2Cl)CC1 1506405297 ZAIYGHFZVDHSHU-UHFFFAOYSA-N 356.813 2.768 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc4ccccc4c3)C[C@@H]12 1704338194 NRKZCDIAJCSVPM-NQIIRXRSSA-N 352.434 2.851 0 50 FFAA Cc1cc(C)c2c(CC(=O)N(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)coc2c1 1704338226 PKDDYKWELGITPI-HLLBOEOZSA-N 354.450 2.965 0 50 FFAA Cc1c(Cl)cc(C(=O)N2CC[C@@H]3NCCC[C@@]3(CO)C2)cc1Cl 1565512957 DWMJAJGACPBRGH-RDJZCZTQSA-N 357.281 2.878 0 50 FFAA COc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1C(=O)O 1772813595 ITWLTRTXBIECOJ-UHFFFAOYSA-N 363.373 2.532 0 50 FFAA c1ccc(CC[C@@]23CN(Cc4cc[nH]n4)C[C@@H]2CN(c2cnccn2)C3)cc1 1772816622 QHPCICPYXFJZKM-KNQAVFIVSA-N 374.492 2.771 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@H]2CNC[C@]2(CO)C1 1772710101 OKLVSYQZVJIUHI-BFUOFWGJSA-N 360.841 2.562 0 50 FFAA CCCCCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 5060782 CFPPNQFXZOSOJE-KRWDZBQOSA-N 361.486 2.795 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2cccs2)C1 11841640 BCIOSZJDDMBLQK-AWEZNQCLSA-N 372.494 2.818 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12198479 NLDKSNLDKHOLCP-SFHVURJKSA-N 372.444 2.612 0 50 FFAA COc1cc(COC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc(OC)c1OC 13154705 JWZWSTLHLYUEGT-HLLBOEOZSA-N 367.486 2.853 0 50 FFAA COCCn1cnc2sc3c(c2c1=O)CC[C@H](NC1CCCCC1)C3 14879097 UJDMQGGGDUUXSC-AWEZNQCLSA-N 361.511 2.884 0 50 FFAA CC[C@@H](COC)Nc1ncnc2sc(C(=O)N(C)CCOC)c(C)c12 15000550 VYVFDASCOPKVBH-LBPRGKRZSA-N 366.487 2.555 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 19536111 OBEXPXHVBKHQBK-UHFFFAOYSA-N 370.449 2.750 0 50 FFAA CN1c2cc(C(=O)NCc3ccc(F)cc3)ccc2C(=O)N2CCC[C@H]21 169765849 QCPYFLAGCLRZBT-SFHVURJKSA-N 353.397 2.768 0 50 FFAA Cc1cn2nc(C(=O)NCc3ccc(F)cc3F)cc2c(N2CCCC2)n1 169768718 ZPYBVEGZYUVENG-UHFFFAOYSA-N 371.391 2.846 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(-c4noc(C5CCC5)n4)c3CO2)cc1 169780906 YMDNIDZRYFUQNY-HNNXBMFYSA-N 353.382 2.876 0 50 FFAA O[C@@H]1C[C@H](c2ccccc2)OC2(CCN(c3cncc4nccn34)CC2)C1 1857667366 HTAWUKHHQKJOHW-QZTJIDSGSA-N 364.449 2.981 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(Cc4ccccn4)C[C@H]32)cc1 209814374 HFBHPTNUYZVHJA-UXHICEINSA-N 367.449 2.728 0 50 FFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 216420959 AKLAWRNJKBOIBU-SJORKVTESA-N 371.485 2.521 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](C(=O)O)C2)c1C(F)(F)F 237737679 XNVIEYLLYFXPIT-LLVKDONJSA-N 367.327 2.746 0 50 FFAA CCc1nc([C@@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cs1 153073242 RUKOUEHSKBNLDE-ZIAGYGMSSA-N 374.514 2.867 0 50 FFAA C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC(Nc2cccnn2)CC1 153183686 DYNJZRWJQCGVHC-HNNXBMFYSA-N 369.469 2.789 0 50 FFAA C[C@@H](CN(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(=O)O 262292253 HOTSFCYQXPNLNV-VIFPVBQESA-N 366.215 2.632 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)c3cccc4c3OCCO4)[C@H]2C)o1 952852561 ADRGJBLELLYELT-STQMWFEESA-N 357.410 2.812 0 50 FFAA COC(=O)c1ccc(N2CCC(NC(=O)CCc3cscn3)CC2)cc1 1875383036 DBTSPFRGUCEXQJ-UHFFFAOYSA-N 373.478 2.648 0 50 FFAA COC12CC3C[C@@H](C1)C(NC(=O)C1(c4cc(C)no4)CCOCC1)[C@@H](C3)C2 1875392208 JSJXSIGJGCBHRJ-KQPFBPOGSA-N 374.481 2.741 0 50 FFAA CCc1ccc(-c2noc([C@@H](C)NC(=O)Cc3ccnc(CN)c3)n2)cc1 1875340696 NGVVQTOQMHATKT-CYBMUJFWSA-N 365.437 2.573 0 50 FFAA CC(C)n1cnc(C(=O)N2CC[C@H]3CC[C@H](NC(=O)C4(C)CC4)[C@H]2C3)c1 1875405191 YFLKNUGNCNKSNU-HLLBOEOZSA-N 358.486 2.764 0 50 FFAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1cccnc1 4058835 CWPZSHSISUCXSC-UHFFFAOYSA-N 373.412 2.927 0 50 FFAA CC(C)(C)[C@H](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)C(F)F 2325798890 HXLGNLYJWXLHLO-SNVBAGLBSA-N 374.409 2.668 0 50 FFAA O=C1CC(C(=O)Nc2cn(Cc3ccccc3)c3ccccc23)CC(=O)N1 2325829208 CDVWHLMYPIRZAU-UHFFFAOYSA-N 361.401 2.681 0 50 FFAA O=c1n(CCN2CCSCC2)c2cccnc2n1-c1ccc(Cl)cc1 2325859958 RFOUIIDXWKLPFZ-UHFFFAOYSA-N 374.897 2.889 0 50 FFAA CCOc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 1109581 IKGRNGZPMLNUMC-CQSZACIVSA-N 362.451 2.699 0 50 FFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 1119743 FOKFDNNCDOXMCG-UHFFFAOYSA-N 366.414 2.530 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)ccc1O 1213835 XAQSSORFCYRMCN-GOSISDBHSA-N 367.405 2.976 0 50 FFAA O=C(O)c1cccc(C(=O)Nc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 2879728 KFCQADYFMHHBFL-MRXNPFEDSA-N 354.362 2.755 0 50 FFAA COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(C)C 8495299 OWEAEWDKXUBUHK-UHFFFAOYSA-N 360.435 2.966 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(NC3CCCC3)nc2)CC1 20204915 RMDUREGOQGFOFA-UHFFFAOYSA-N 370.497 2.911 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCN4CCCC[C@@H]4C3)no2)c1 67723752 WDDCYUQDRKQOEH-OAHLLOKOSA-N 371.437 2.573 0 50 FFAA O=S(=O)(Nc1ncn(Cc2ccc(F)cc2)n1)c1ccc(Cl)cc1 2778308 SSVGUDKKHWCVLL-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA Cc1ccc(O[C@H]2CCN(S(=O)(=O)Cc3noc4ccccc34)C2)cn1 328618103 DJJINHBRWSWLIN-HNNXBMFYSA-N 373.434 2.514 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cn(C)nc2C)n2ncnc2N1 6925124 GPCLRQPIEHBCTL-QGZVFWFLSA-N 363.425 2.556 0 50 FFAA C[C@@H]1OCC[C@]12CN(C(=O)c1ccccc1Br)C[C@@H](C)O2 253430147 ICGPCSLCZPDJDQ-WQGACYEGSA-N 354.244 2.858 0 50 FFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2nnc(C3CC3)n2C2CC2)c1=O 328626422 FBECZXAMUYMVFR-WBMJQRKESA-N 372.473 2.575 0 50 FFAA COc1cc2c(cc1CNC(=O)CCNC(=O)c1cccs1)O[C@@H](C)C2 153284218 LFTFUQZMRGEEQT-LBPRGKRZSA-N 374.462 2.516 0 50 FFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](n2cc(C(=O)O)cn2)C1 153230546 ACNZSOQUDRAGFD-DYVFJYSZSA-N 359.401 2.763 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 12649143 CEVDAKZMDQZIES-SJORKVTESA-N 353.422 2.772 0 50 FFAA CCCc1nc(C)cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1 72164795 UDBWTGBVZUFDEN-QGZVFWFLSA-N 350.466 2.918 0 50 FFAA C[C@H]1C[C@@H](C)C[C@H](CCN2CCN(CCN3CCCOCC3)CC2)C1 375336156 HMLYVFLRABKALM-AERCQKQUSA-N 351.579 2.789 0 50 FFAA Cc1nc2ccc(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)cc2o1 216059157 KKGNINLWLSGWDR-UHFFFAOYSA-N 353.378 2.718 0 50 FFAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 72149658 HJZODSPYGPAHJR-JOCHJYFZSA-N 369.509 2.825 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)c1c[nH]c(=O)c(Cl)c1 72146409 AFZJJUZXZQRCBE-AWEZNQCLSA-N 363.820 2.562 0 50 FFAA Cc1cc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)ccc1-n1cccn1 333257530 IGLLKQWSMVDREP-AZUAARDMSA-N 368.481 2.539 0 50 FFAA COCCn1c(C)c(C)c2cc(C(=O)N3CCC(C(=O)O)CC3)ccc21 237133376 JJNRDSILOJJKDG-UHFFFAOYSA-N 358.438 2.841 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N)C[C@@H]3C)s2)cs1 237636733 CQJIIVZKDCTOPB-GXSJLCMTSA-N 357.526 2.680 0 50 FFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1nnc[nH]1 174168435 BNFVGWLPEPURRA-UHFFFAOYSA-N 361.402 2.560 0 50 FFAA Cc1nnc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)o1 286644197 XLFQEUFASXWTGO-CYBMUJFWSA-N 354.332 3.000 0 50 FFAA COc1cc(F)c(-c2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)cc1F 426397413 MYTJLTHLQWIPGT-CQSZACIVSA-N 374.387 2.991 0 50 FFAA O=C(O)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1 263403962 IZVYDWGLAAVAEU-QYZOEREBSA-N 350.418 2.631 0 50 FFAA O=C(CCCN1CCCCC1)N1CCN(Cc2ccc(Cl)nc2)CC1 81411866 PJAMCZRACSJLPM-UHFFFAOYSA-N 364.921 2.645 0 50 FFAA O=C(NC[C@H]1CCCN(CCc2ccccc2)C1)N1CCC2(CCO2)CC1 426661357 QNKYMMPQUUFZNP-HXUWFJFHSA-N 371.525 2.906 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 82156910 QQZSGBXZTCXAOD-UHFFFAOYSA-N 363.465 2.938 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cncn1 426444934 LRYJECIKWFELFI-KRWDZBQOSA-N 366.425 2.919 0 50 FFAA CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3CN(C)CCN3C)cc2)s1 426541179 ACHIXRVVSIXNEY-QGZVFWFLSA-N 371.506 2.593 0 50 FFAA CC[C@H](C(=O)N[C@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2 20607679 QFPZIGBTPFNKJJ-ZWNOBZJWSA-N 369.391 2.953 0 50 FFAA Cc1cccnc1C[C@@H](C)NC(=O)N1CCN(Cc2ncccc2C)CC1 426606755 OROGJLCUDKOKMP-GOSISDBHSA-N 367.497 2.552 0 50 FFAA Cc1cnccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)CC1 95366532 BUTVKQGZIPBHQJ-GOSISDBHSA-N 368.481 2.544 0 50 FFAA COc1ccccc1Cc1nc(-c2cccc(C(C)=O)c2)n(CC(=O)O)n1 96133065 WLXHFEZFPYMPBI-UHFFFAOYSA-N 365.389 2.832 0 50 FFAA COC(=O)CCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C 95516769 TUEASTALXLINGU-SFHVURJKSA-N 358.482 2.810 0 50 FFAA O=C(NCCn1cc(Cl)cn1)Nc1ccc(OC[C@@H]2CCCO2)cc1 96164566 BOAUPHSEBBPZTG-INIZCTEOSA-N 364.833 2.916 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCn2nc(C)c(C)c2C)c1 91943451 PIZQHEYJXAVDMZ-UHFFFAOYSA-N 353.426 2.637 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cn1 95354827 RNKHHDUNGSHUEQ-GOSISDBHSA-N 363.461 2.977 0 50 FFAA COCc1cc(CNC2CCN(c3ncnc4c(C)csc34)CC2)n[nH]1 95499059 MDLWLXYGYDMAAZ-UHFFFAOYSA-N 372.498 2.628 0 50 FFAA Cc1cc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)on1 92002089 HITOGWGPLJIWQA-UHFFFAOYSA-N 367.457 2.534 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N(C)Cc2noc(C3CCC3)n2)c1 96180251 LVSUKIBNJOQIRD-UHFFFAOYSA-N 373.413 2.586 0 50 FFAA Cc1cccc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2=O)c1 95506825 JONBEXVCEPJVQN-UHFFFAOYSA-N 365.481 2.624 0 50 FFAA O=C(CCNC(=O)c1ccc([C@@H]2CCCNC2)cc1)NC1CCCCC1 95376149 IORBJAXJXIAFFT-GOSISDBHSA-N 357.498 2.722 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)c1 91616719 NTRDAYMYNFFZFJ-KRWDZBQOSA-N 358.482 2.529 0 50 FFAA Cc1cc(N2CCC(N3C[C@@H]4CNC[C@@H]4C3)CC2)nc(-c2ccccc2)n1 96163838 ALGULCHQIQWJPY-KDURUIRLSA-N 363.509 2.572 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(N(C)C)cc1)C2 91468850 NISJRPRXYICUGE-AZUAARDMSA-N 369.509 2.711 0 50 FFAA O=C1CCCN1CCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91444694 CKJFRWCKJXHQLO-VQTJNVASSA-N 369.509 2.512 0 50 FFAA Cc1cn2c(=O)cc(CN3CCC[C@@H](c4nc(C(C)C)no4)C3)nc2s1 244707896 KJPTYULCOGJAFN-CYBMUJFWSA-N 373.482 2.950 0 50 FFAA CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc2ccccc2[nH]c1=O 180971468 MJUBGOWVIIRARY-UHFFFAOYSA-N 367.371 2.627 0 50 FFAA Nc1nc(NCc2ccc(OC(F)(F)F)cc2)cc([C@H]2C[C@@H](O)C2)n1 244708279 KQVHRDRFGABMQM-PHIMTYICSA-N 354.332 2.808 0 50 FFAA COCc1ccc(C(=O)N[C@@H](c2cc(F)ccc2OC)[C@H]2C[C@H](O)C2)o1 252552194 UQTODVDCKYIKSS-AEDCBLDQSA-N 363.385 2.816 0 50 FFAA CS(=O)(=O)Nc1cccc(NC(=O)c2ccc3c(c2O)CCCC3)c1 184965238 DFFFNSVUPPMTRC-UHFFFAOYSA-N 360.435 2.895 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)NCC1(N2CCOCC2)CCCCC1 1940197885 ZKOVKGXQWOGBQL-UHFFFAOYSA-N 361.486 2.676 0 50 FFAA CCn1c(CCNC(=O)[C@H]2CC(=O)OC23CCCCC3)nc2ccccc21 299756135 CWCJBHBWIVADNJ-OAHLLOKOSA-N 369.465 2.981 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)[C@H]1CCCN(C2CCOCC2)C1 299796010 LMXXIGMVTOAIFE-SFHVURJKSA-N 358.482 2.519 0 50 FFAA Cc1ncsc1CCc1nc(-c2c[nH]c3ccccc23)nn1CCO 828777084 XGFWTIZYIHNBTJ-UHFFFAOYSA-N 353.451 2.969 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)NC[C@@H](C(C)C)N3CCCC3)CC2)nc1 584899131 XOFSHKNRHIOJQT-SFHVURJKSA-N 374.529 2.503 0 50 FFAA O=C(c1ccc(-c2ccc(CN3CCCC3)cn2)cc1)N1CCCNCC1 584886044 IEZSXIUIGYZKDG-UHFFFAOYSA-N 364.493 2.780 0 50 FFAA Cc1nn(CCNC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c(C)c1C 584901903 FXZQGHSQXZZRNI-KRWDZBQOSA-N 369.469 2.508 0 50 FFAA COCCn1cncc1Cn1cnc2sc3c(c2c1=O)CCCCC3 584900466 HTZXSGYPAXNZFY-UHFFFAOYSA-N 358.467 2.618 0 50 FFAA CCCc1nc(C)c(CNC(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)s1 584889457 XCZOOVFFAZRDAO-KRWDZBQOSA-N 366.487 2.530 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)C1(N2CCOCC2)CCCCC1 670438268 LDHASWNPNXWGLB-UHFFFAOYSA-N 368.481 2.524 0 50 FFAA COc1ccccc1CC(=O)NC[C@H]1CCCN(C2CCSCC2)C1 952871971 FNBHEAMBMRBDLW-MRXNPFEDSA-N 362.539 2.962 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)n[nH]1 1565530115 ALLDLAJCWAQNML-SJORKVTESA-N 353.470 2.665 0 50 FFAA O[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@@H]1Nc1ncccn1 1565515036 XPDQNTLDECIECR-GJZGRUSLSA-N 370.350 2.682 0 50 FFAA COc1ncc(Cl)c(N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 301874844 RLHPGCJIXSCQES-GFCCVEGCSA-N 350.781 2.885 0 50 FFAA CCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2cccc(C)n2)c2ccccc21 167429052 SVXYOMRTTYRGHX-QGZVFWFLSA-N 364.449 2.890 0 50 FFAA C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCO[C@@H]1c1nccn1C 275402485 CLYJOGLURCGQGK-QOKNQOGYSA-N 357.454 2.980 0 50 FFAA Cc1cnc(C2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)s1 277829531 LLSJCJCKMSOVID-UHFFFAOYSA-N 362.480 2.896 0 50 FFAA C[C@H](Sc1nnnn1C(C)(C)C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597172 MWWSYVKQKLHYGK-NSHDSACASA-N 371.470 2.938 0 50 FFAA CCc1nnc(S)n1CCNC(=O)Cc1coc2c(C)c(C)ccc12 170641472 JUELBRLQRDETTH-UHFFFAOYSA-N 358.467 2.851 0 50 FFAA CC(C)c1ccc(OCCC(=O)N2CCC(N(C)CC(=O)O)CC2)cc1 186624456 IYWOYOWCBITDKN-UHFFFAOYSA-N 362.470 2.586 0 50 FFAA COc1ccc(C)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216706084 PWIOXOUAXSVFLE-CVEARBPZSA-N 357.454 2.868 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cc(CC(C)C)nn2C)C[C@@H]1C(=O)O 220095062 OJDDIVBOIFLCBH-MSOLQXFVSA-N 369.465 2.867 0 50 FFAA Cc1ccc(CCC(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c(C)c1 1704306920 XVBMHAOUCXQLSL-NQIIRXRSSA-N 358.482 2.634 0 50 FFAA CN(CC1(CO)CCC1)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772814379 VSJCANDVHSQMAK-OAHLLOKOSA-N 371.506 2.931 0 50 FFAA CC(C)c1ccc(-n2cc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)cn2)cc1 1772710125 VMXNPPPOXLGQBM-NQIIRXRSSA-N 369.465 2.919 0 50 FFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775982390 UGROGBSDOJIABZ-XGRNZMRYSA-N 369.509 2.938 0 50 FFAA C[C@H](CCn1cccn1)N1CCCN(C(=O)c2ccncc2Cl)CC1 1775983493 YUWYWXLNOBCCMB-OAHLLOKOSA-N 361.877 2.558 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)COc2ccccc2)CCC1=O 11814418 SRRFQSUAXCWJKV-UHFFFAOYSA-N 352.434 2.635 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cs1 12075989 MJNWQBMOILZLMA-AWEZNQCLSA-N 362.495 2.791 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(OC)n1 12442552 RQDRGDBANLDWJX-KRWDZBQOSA-N 369.465 2.536 0 50 FFAA O=C(CSc1ncccn1)N1CCC[C@](CO)(CCc2ccccc2)C1 12466268 BBNKRVWFHGTJQJ-FQEVSTJZSA-N 371.506 2.803 0 50 FFAA COC(=O)[C@@H](CCSC)NC(=O)c1ccc2oc(C(C)C)nc2c1 12581437 ZBSONGULUNYAFW-GFCCVEGCSA-N 350.440 2.976 0 50 FFAA CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1O[C@@H](C)C(=O)O 12629252 PZYNRPQLKSKNSU-LMRAXHDRSA-N 351.380 2.603 0 50 FFAA CCn1c2ccccc2c2cc(CN3CCN(S(C)(=O)=O)CC3)ccc21 19524268 YGUJRTGZNGUEFD-UHFFFAOYSA-N 371.506 2.892 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3cncnc3)C1)CC2 1857730747 VUYULMIRMDKZSG-HXUWFJFHSA-N 353.470 2.750 0 50 FFAA CCc1ccccc1OCC(=O)N1CCCC[C@@H]1c1n[nH]c(COC)n1 408473741 QTIIRTDZFQXZNX-OAHLLOKOSA-N 358.442 2.646 0 50 FFAA CNC[C@@H]1CCCN1C(=O)CCc1cc(Br)ccc1OC 237080044 PFLGGFYLFWBZEV-AWEZNQCLSA-N 355.276 2.601 0 50 FFAA Cc1nc(N2CCN([C@H]3CCN(c4ccccc4F)C3=O)CC2)sc1C 157432097 OEZURMPQDBYJII-KRWDZBQOSA-N 374.485 2.827 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(c2ncncc2Br)C1 375159378 LXHIUEOVIRPSAT-NSHDSACASA-N 353.220 2.639 0 50 FFAA Cc1ccc([C@H](CNc2nc(O)c3ccccc3n2)N2CCOCC2)o1 264661862 RCKGUWOZMDFQMH-INIZCTEOSA-N 354.410 2.722 0 50 FFAA O=C(O)Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1F 907681987 IMHCRXPYVGOMOY-UHFFFAOYSA-N 357.337 2.852 0 50 FFAA C[C@@H]1CCCN(Cc2ccc(CNC(=O)c3cccc(C(=O)O)n3)cc2)C1 911179311 CMZBVTUYNJACPC-OAHLLOKOSA-N 367.449 2.942 0 50 FFAA Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)c(C)n1 911462166 JNMZGLRKGLMJIA-WKILWMFISA-N 367.449 2.984 0 50 FFAA C[C@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)N1 1875278687 VPTZDIZZXFDEMI-SUMWQHHRSA-N 366.421 2.728 0 50 FFAA COC(=O)C[C@H]1CCCN1C(=O)c1cnc2c(cnn2C2CCCC2)c1 1875264254 DTLCDEICVWWVGT-MRXNPFEDSA-N 356.426 2.714 0 50 FFAA C=CC(=O)NC[C@H]1CN(C(=O)CCOc2cc(C)ccc2C)CC[C@@H]1C 1875386144 JXSJJNAQBLURLL-WMZOPIPTSA-N 358.482 2.859 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cc3c(s2)CCSC3)C1 1875371137 QHRPDQVGNJMUMY-GFCCVEGCSA-N 350.509 2.578 0 50 FFAA O=C(O)[C@@H](c1ccc(F)cc1Cl)N1CCO[C@H](C2CCOCC2)C1 1875303788 MPHPKBGBCFVNIZ-JKSUJKDBSA-N 357.809 2.732 0 50 FFAA CCCNC(=O)c1c(C)[nH]c(-c2csc(N3CCNCC3)n2)c1CC 1875372288 BQSPTUDQQOTKCB-UHFFFAOYSA-N 361.515 2.558 0 50 FFAA CN(C(=O)c1nc2ccccc2s1)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 1875310711 ZNUFTOISSCLNQS-UKRRQHHQSA-N 373.478 2.538 0 50 FFAA O=C(CCc1ccon1)N1C[C@@H]2CC[C@H](C1)N2C[C@H]1CCC(F)(F)C1 1875407001 QPEPMACQCVAQCK-CWRNSKLLSA-N 353.413 2.718 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1nc(-c2ccc(F)cc2)no1 886072162 YQSGFGVOHAPKQE-DOTOQJQBSA-N 357.389 2.537 0 50 FFAA COc1cc(C)c(-c2nc(NC(=O)[C@@H]3COC(=O)N3)sc2C)cc1C 2100534352 DUPLHYHOSNRLTH-LBPRGKRZSA-N 361.423 2.791 0 50 FFAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(F)cc2C)cc1 2852968 XNVGHFHZTOMTEO-UHFFFAOYSA-N 365.382 2.801 0 50 FFAA Cc1c(C(=O)N[C@H](C)c2ccc(C(=O)O)cc2)cnn1CC(F)(F)F 2325793523 YRKPRBLROWMSSC-SECBINFHSA-N 355.316 2.943 0 50 FFAA CC[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)C1(C)C(C)(C)C1(C)C 2325794086 PWUGJQUVQMCYOM-HUUCEWRRSA-N 354.535 2.773 0 50 FFAA CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@H]1CC[C@H](C2CC2)O1 2325794553 HBPTYEGAGYQKQG-SJLPKXTDSA-N 374.481 2.694 0 50 FFAA Cc1cccc(-c2nc(C3COCCOC3)n(C3CCN(C)CC3)n2)c1 2325848229 BWCPYWQLJJGZCE-UHFFFAOYSA-N 356.470 2.651 0 50 FFAA Cc1ccncc1C(=O)NCC[C@H](C)NC(=O)c1ccc2cccnc2c1 2325871329 ICVHLQXTGSNXEQ-HNNXBMFYSA-N 362.433 2.877 0 50 FFAA COc1ccc([C@H]2CC(c3cccs3)=NN2S(C)(=O)=O)cc1OC 798789 ZKSNPMGYZLVTRC-CYBMUJFWSA-N 366.464 2.876 0 50 FFAA CCCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6715535 BCCWJSDPVMHJFC-UHFFFAOYSA-N 350.406 2.957 0 50 FFAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)CNC(=O)C(C)C)CC1 67691664 YRHDXGIQHPYBRR-UHFFFAOYSA-N 368.481 2.863 0 50 FFAA O=C([C@@H]1CC12CCC2)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 65373127 UPEOEPZSCDDDDY-KRWDZBQOSA-N 366.465 2.532 0 50 FFAA Cc1ccccc1-n1cccc1CN1CCC2(CC1)CN(C)CCN2C 67695645 SJXPKNGOUPDNRC-UHFFFAOYSA-N 352.526 2.998 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)[C@@H](CCO)C1 23358840 IQUWILPSKDPGRH-FQEVSTJZSA-N 374.504 2.905 0 50 FFAA Cc1ncsc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O 20295587 QDXYRJKVQJNOLS-AEFFLSMTSA-N 371.506 2.603 0 50 FFAA O=C(CN1CCCCCCCC1=O)N1CCC(O)(c2ccccc2)CC1 20858565 PRGBHBOYYBDCRF-UHFFFAOYSA-N 358.482 2.679 0 50 FFAA CCN(CC)S(=O)(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66934356 SRRBKFVEXPACBG-CQSZACIVSA-N 367.298 2.953 0 50 FFAA OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccsc1 23373760 KPDBUAWWBWZLSD-QGZVFWFLSA-N 360.479 2.546 0 50 FFAA O=C(NCc1nc(-c2cccnc2)no1)c1ccc([C@@H]2CCCN2)s1 20907846 YJZZEHMJYMCDEM-LBPRGKRZSA-N 355.423 2.548 0 50 FFAA C[C@](CO)(CNC(=O)c1ccc(OCC2CC2)nc1)Cc1ccccc1 252482063 CXHIDXGDUXJPRD-OAQYLSRUSA-N 354.450 2.842 0 50 FFAA OCCNc1cc(NCc2cccnc2Oc2ccc(F)c(F)c2)ncn1 67983094 YTACSYLASXNNCG-UHFFFAOYSA-N 373.363 2.958 0 50 FFAA Cn1nncc1S(=O)(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 330121182 BJIKKAGRGBUZLX-MMQHEFTJSA-N 352.485 2.523 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2C1 121591670 ZJFYDXBMTIJTDA-LIRRHRJNSA-N 357.479 2.928 0 50 FFAA Cc1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C)on2)no1 4771156 ZVZUWRNHQQGSLX-UHFFFAOYSA-N 364.406 2.783 0 50 FFAA N[C@@H](C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2)c1ccccc1 328636164 NWTIMEWIRAQCBS-ZWKOTPCHSA-N 355.507 2.919 0 50 FFAA C[C@@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1 155000916 CTPMOFUKUPAETL-GFCCVEGCSA-N 371.441 2.569 0 50 FFAA C[C@H](O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H]1C 331816934 LJBDLHKDJLRALL-RYUDHWBXSA-N 367.902 2.924 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)CCn3nc(C)cc3C)n2)cc1 218959376 XUJDAGIAUYYIJP-AWEZNQCLSA-N 369.425 2.826 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCO[C@H](C(F)(F)F)C3)nc2c1O 71753121 NKLXZURDHXZWAK-ZDUSSCGKSA-N 354.328 2.961 0 50 FFAA Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCN)C2)[nH]c2c(C)cccc12 72424767 SXFLEHBIDOKGJL-QFBILLFUSA-N 354.498 2.556 0 50 FFAA Cn1cc(C2CCN(C(=O)CCc3nnc(C4CCCC4)o3)CC2)cn1 127227834 GDXVSTNMWHKYQX-UHFFFAOYSA-N 357.458 2.800 0 50 FFAA Nc1ccnc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)n1 241588301 PBTOWPBWXCWMAJ-UHFFFAOYSA-N 368.253 2.630 0 50 FFAA Cc1ccc(-c2nc(C(=O)Nc3cccc4c3C(=O)NC4)cs2)n1C 128899380 KNPPOWPWCFUBOA-UHFFFAOYSA-N 352.419 2.953 0 50 FFAA N[C@@H]1CCCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 158024563 HOPLKHZDMNQEAN-SECBINFHSA-N 373.766 2.503 0 50 FFAA C[C@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 334127677 QRGQGLWPBABFQS-QFBILLFUSA-N 367.497 2.541 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCC[C@@H](C)C4)nc3c(=O)n2C)c(C)o1 72418664 RYWJZWQAPTYZKV-GFCCVEGCSA-N 368.437 2.782 0 50 FFAA CC1CCC(N2C[C@H](C(=O)N3CCSc4ncccc43)CC2=O)CC1 173295921 AUTNSZOUHSSGHF-SHARSMKWSA-N 359.495 2.948 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CCC(NC(N)=O)CC2)c1 176059326 OFHYFOOCFWJYQB-UHFFFAOYSA-N 368.437 2.712 0 50 FFAA Cc1ccc(CNc2nc(C)nc3c2cnn3C)c(O[C@@H]2CCOC2)c1 177098040 RRLKFWPTPFKMEZ-OAHLLOKOSA-N 353.426 2.760 0 50 FFAA O=C(NCc1ccc(-n2cncn2)cc1)c1ccc([C@H]2CCCN2)s1 19146238 HDIAWRZXYXULPX-OAHLLOKOSA-N 353.451 2.683 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)NCCn3ccnc3C)c2)n1 426547644 QPEWYSRYXRFHIA-UHFFFAOYSA-N 366.469 2.836 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CCc3ccccc32)n1 426699917 KMBHAHCKSNILOG-GOSISDBHSA-N 352.482 3.386 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)[C@H](C)Cn3cccn3)s2)c1 223385260 BDNSZNMWKPPBRB-CYBMUJFWSA-N 356.451 2.968 0 50 FFAA CC(C)CN1CCN(C(=O)c2cccc(-c3ncccc3N)c2)[C@@H](C)C1=O 426465072 DFWYBNVLMUIQSI-HNNXBMFYSA-N 366.465 2.660 0 50 FFAA Cn1c(SCC(=O)NC2CCCCCCC2)nnc1[C@H]1CCCNC1 426475330 CLHHLOODXLMPKR-AWEZNQCLSA-N 365.547 2.603 0 50 FFAA CC(=O)N1CC2(CCN(c3ccc4ccccc4n3)CC2)C[C@@H]1C(=O)O 82096520 FKUMDCIJOZLPHD-QGZVFWFLSA-N 353.422 2.527 0 50 FFAA CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)n1 20606097 QNSFZIDPYKAETB-UHFFFAOYSA-N 366.874 2.867 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@H]3CCOC3)cc2)cc1 426635184 ALGKAFNYMDTKOP-HNNXBMFYSA-N 373.474 2.914 0 50 FFAA CC(C)=CCN1CC2(CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 91664779 MFODZHLAZWDQPD-UHFFFAOYSA-N 368.524 2.718 0 50 FFAA Cc1ccc(-c2cc(C(=O)N(Cc3cccnc3)C3CCNCC3)n[nH]2)o1 91845995 BLFYHWBHOZFVEP-UHFFFAOYSA-N 365.437 2.768 0 50 FFAA Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c(C)n1 91755732 LKVAWRWDANFIDR-PKOBYXMFSA-N 368.456 2.969 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)no1 95529586 FQTCSZCYFYSSPG-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)[C@H]2COc3ccccc3C2)CC1 91425709 VILPSJMPJVKRJQ-LJQANCHMSA-N 365.477 2.756 0 50 FFAA CN1CCN(CCN2CCN(c3ccccc3)CC2)C[C@@H]1c1ccccc1 244734466 NFXZNAIKFAMVNM-HSZRJFAPSA-N 364.537 2.797 0 50 FFAA COCCn1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)c2ccccc21 299258768 ASVIKXLRNZUQDP-QGZVFWFLSA-N 355.482 2.988 0 50 FFAA COc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c(C)c1 294483361 HKWQODWYUAOLKF-KRWDZBQOSA-N 351.468 2.583 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(CSc3nnc[nH]3)o2)no1 252500789 TVKQAHLWBWBXTL-CYBMUJFWSA-N 359.411 2.964 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1 299759283 PWGWPFYJIDKMKU-FQEVSTJZSA-N 366.465 2.517 0 50 FFAA COCCN1CCC(CNC(=O)[C@]2(c3cccs3)CC2(C)C)CC1 299773177 CUISAEAZLUUDJX-LJQANCHMSA-N 350.528 2.890 0 50 FFAA CCCCN1CCn2nc(CNC(=O)[C@H](C)Oc3ccccc3)cc2C1 299797911 TYDKCVRYARCGPI-INIZCTEOSA-N 356.470 2.583 0 50 FFAA COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)cc(C)n(C)c1=O 824134546 JMYMNUSNEHLRSX-JTQLQIEISA-N 355.312 2.512 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2CCCN(CCc3ncc[nH]3)C2)c(F)c1F 828154478 XFOLLBVGBICFBS-CQSZACIVSA-N 362.424 2.681 0 50 FFAA C[C@H]1CN(CCOc2ccc(I)cc2)C[C@@H](C)O1 16247354 ZEQXPDFQTNUXDF-TXEJJXNPSA-N 361.223 2.779 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N(Cc1ccccn1)C[C@H]1CCCO1 952978479 ZYSUCXLYAIDPTN-GOSISDBHSA-N 363.421 2.688 0 50 FFAA Cc1nc(CCNC(=O)/C=C/c2cc(CO)cs2)nc2c1CCCC2 952984591 XAYVOULHABFJRO-VOTSOKGWSA-N 357.479 2.590 0 50 FFAA O=c1c(Cl)c(Cl)cnn1-c1ccc(N2CC[C@H](O)C2)c(Cl)c1 210191821 NKDLREGDKODADD-VIFPVBQESA-N 360.628 2.764 0 50 FFAA O=C(Cc1cccs1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275515147 DOEKPKGZFUDHSG-OAHLLOKOSA-N 357.479 2.966 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(-n2ccnc2)n1 189630623 NHUJEYVRWHGPEI-HNNXBMFYSA-N 365.412 2.757 0 50 FFAA O=C(Nc1nnc(-c2ccccc2Cl)[nH]1)[C@@H]1CC(c2cccnc2)=NO1 191868944 RACHDTFWOFHCGP-AWEZNQCLSA-N 368.784 2.652 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc(F)cc4C)CC3)C[C@@H]2O)n[nH]1 1529141891 SIJBRGYMVONXSN-IERDGZPVSA-N 372.488 2.670 0 50 FFAA O=C1CCCN1CCCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529190711 MWDAXKJSWZGVQU-RBUKOAKNSA-N 356.466 2.768 0 50 FFAA CCc1cc(N[C@H]2COC[C@H]2Cc2ccncc2)nc(N2CCCC2)n1 1704331062 NPWURLLGUSECNJ-AEFFLSMTSA-N 353.470 2.704 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2c(C)noc2C)CC1 1704327753 IUUTVQWUXHLSJG-UHFFFAOYSA-N 370.449 2.933 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@@H]1C(=O)O 212667149 QMAKDZOYCIZECJ-CABCVRRESA-N 362.813 2.896 0 50 FFAA CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1C[C@H](C(C)C)OC2 2355660 OSCOUEYRVLSPSU-MVIFTORASA-N 367.423 2.601 0 50 FFAA O=C(c1ccc(-n2cccn2)cc1)N1CCCN(Cc2cncs2)CC1 1772705830 RWJKTJXVUXGXEM-UHFFFAOYSA-N 367.478 2.677 0 50 FFAA COc1ccc([C@@]2(C(=O)NCc3[nH]nc4ncccc34)CC2(C)C)cc1 1772811303 VORRJZCTRSIVAZ-HXUWFJFHSA-N 350.422 2.951 0 50 FFAA COCCN1CCC(CN(C)Cc2nc(-c3ccc(OC)cc3)no2)CC1 11771868 YEIQTWMWLXJYBU-UHFFFAOYSA-N 374.485 2.535 0 50 FFAA O=C(CCC1CCN(C(=O)c2ccc(Cl)s2)CC1)N1CCOCC1 12302142 AXEPIMQYGQJKQJ-UHFFFAOYSA-N 370.902 2.893 0 50 FFAA COc1ccc(OC)c(COC[C@H](O)CN2CCc3ccccc3C2)c1 12420231 RDCSYYLARFPFDE-LJQANCHMSA-N 357.450 2.640 0 50 FFAA COCCN1CCC[C@]2(CCN(CC3=Cc4cc(OC)ccc4OC3)C2)C1 12708899 CGUBJSWTBOQHPE-QFIPXVFZSA-N 372.509 2.905 0 50 FFAA CN(C)c1ccccc1C(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 15063679 QQPRBWOZLSQPQC-GOSISDBHSA-N 365.477 2.716 0 50 FFAA CCN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 15078247 DHJIWPNDBAHGIC-MRXNPFEDSA-N 370.497 2.987 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)N1CCN(CCO)CC1 19228837 YEVZLIBQDXDNFK-FQEVSTJZSA-N 372.896 2.999 0 50 FFAA O=C(N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccncc1 169755704 YFOWOXYRDWXXNT-MRXNPFEDSA-N 351.385 2.620 0 50 FFAA O=C(Cn1ccn2nc3c(c2c1=O)CCCCC3)Nc1ccccc1F 169769511 BPYJMCGSJKGKQK-UHFFFAOYSA-N 354.385 2.543 0 50 FFAA CCN(CC)C(=O)NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1 169896621 JSSRSTFDUICTEZ-UHFFFAOYSA-N 367.877 2.761 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cnc(=NCc2ccccc2)[nH]c1 1857670771 BPCZIHQVCHKGAO-ZVDOUQERSA-N 352.482 2.636 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3nn(C)c4ccccc34)C[C@H]21 1857697298 NZSZKIJQUSXGOH-KJGCVMFHSA-N 367.449 2.647 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)NCc1ccccc1OCCO 123374046 INBFJFCGUUCBGY-QGZVFWFLSA-N 368.477 2.905 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)c2)n[nH]1 130961473 SYBPOQFXWSIIMF-UHFFFAOYSA-N 370.434 2.744 0 50 FFAA CN1CCC2(CCN(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)CC2)C1=O 369733039 UQXKTOGKYULSKO-MRXNPFEDSA-N 361.873 2.981 0 50 FFAA C[C@@H]1CC[C@@H](CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)O1 369794993 QANTZXBBZVGASW-WBVHZDCISA-N 354.454 2.559 0 50 FFAA CC(C)(C)OC(=O)N1CCN[C@]2(COc3cc(Br)ccc32)C1 398516653 SXVLPHJBARCWGH-INIZCTEOSA-N 369.259 2.877 0 50 FFAA O[C@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cccc3[nH]ccc23)C1 818186731 BXHAACOIAJOPST-FQEVSTJZSA-N 352.438 2.998 0 50 FFAA O=C1C[C@@H](C(=O)N2Cc3ccc(O)cc3C2)CN1Cc1ccccc1Cl 862607843 IKEDFMGWKJESEA-MRXNPFEDSA-N 370.836 2.937 0 50 FFAA O=C1N[C@]2(CC[C@@H]3C[C@H]32)C(=O)N1c1cccc(I)c1 1875290970 KHULPUJWOOJHID-UGQGEIBHSA-N 368.174 2.516 0 50 FFAA CCOc1cccnc1S(=O)(=O)NCc1ccc2ncn(C(C)C)c2c1 1875313713 XWDVEYBEODHLQJ-UHFFFAOYSA-N 374.466 2.889 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)[C@H]1CCNC1 1875314949 BPENQEUPFLOSJW-DZKIICNBSA-N 370.522 2.843 0 50 FFAA Cc1ncc(CN2CC(NC(=O)N(C)[C@@H]3Cc4ccccc4[C@H]3C)C2)o1 1875323195 BBMUEUHTODFJIS-BFUOFWGJSA-N 354.454 2.537 0 50 FFAA Cc1cc(N2CC[C@@H](C3CC3)[C@H]2c2nnc(O)n2C)c2c(C)noc2n1 1875400294 WCFTZHRNQGTIKT-WFASDCNBSA-N 354.414 2.651 0 50 FFAA CC1CC(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)c2cncn2C(C)C)C3)C1 1875407803 HZHZBZVLUXAJOB-GQGLESIBSA-N 358.486 2.716 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)N2CCO[C@]3(CCOC3)C2)cc1 1320584426 RLCQJSDEQVXYCH-LJQANCHMSA-N 356.426 2.512 0 50 FFAA COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 1061067 CSTMTHAQSLKPBW-IBGZPJMESA-N 351.406 2.862 0 50 FFAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1OC 4580573 RQGVWRJQTSUSJZ-MRXNPFEDSA-N 357.406 2.969 0 50 FFAA O=C(NCCCn1ccnc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 4625123 LTQNGIBXMITZKH-UHFFFAOYSA-N 365.315 2.772 0 50 FFAA Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cnn2cc[nH]c12 2325735272 MLEZKQBGLSJGTI-UHFFFAOYSA-N 355.467 2.772 0 50 FFAA O=C1CC[C@H](/C=C/CN=c2cc(OC3CCC3)c(Br)c[nH]2)O1 2325806084 SBSSCXKZVZXWTK-PWFBRDGFSA-N 367.243 2.871 0 50 FFAA CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(Oc2ccccc2)cc1 821116 GIKUDTUTHFLODG-UHFFFAOYSA-N 374.462 2.867 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccccc2)C1 1194957 CNQJGOUWPQEPPO-SFHVURJKSA-N 358.781 2.560 0 50 FFAA CN(Cc1ccn(C)n1)C(=O)c1ccnn1COc1ccc(Cl)cc1 2799654 WBDJEIWUWLLGOS-UHFFFAOYSA-N 359.817 2.579 0 50 FFAA O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccncc2)C3=O)cc1 3099975 PNTMAPSICIXAGQ-UHFFFAOYSA-N 372.336 2.811 0 50 FFAA C=CCNC(=O)[C@H]1C[C@@](C)(C(=O)OC)N(C)[C@H]1c1ccccc1Cl 55072854 SJFXATLLNGGKAK-YEWWUXTCSA-N 350.846 2.567 0 50 FFAA COc1ccc(-c2cc(C(=O)N(C)Cc3noc(C(C)C)n3)n[nH]2)cc1 67982177 LRBMXNKFLITRBX-UHFFFAOYSA-N 355.398 2.864 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)C1(c2ccccc2F)CC1 65372561 YQOUIRQNQGHOFZ-UHFFFAOYSA-N 352.369 2.961 0 50 FFAA Cc1nc(CCNC(=O)Nc2nnc(-c3ccco3)s2)nc2c1CCC2 23339740 ZQVBTDSLKBOERJ-UHFFFAOYSA-N 370.438 2.749 0 50 FFAA Cc1cc(C)n(Cc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)n1 2802860 JPEDQLXZWFSBSR-UHFFFAOYSA-N 358.409 2.540 0 50 FFAA Cc1cc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c2c(C)noc2n1 360759851 YLFGOBFXTJUGAV-LJQANCHMSA-N 355.369 2.712 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H](Cn3ccnc3)C2)c1 72153356 CVSBNBCREGXJCY-QGZVFWFLSA-N 351.454 2.990 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N1CCCC[C@@H]1CCn1cccn1 77321216 ZDOODXYXRSJEGV-QGZVFWFLSA-N 351.447 2.797 0 50 FFAA O=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CCOC2(CCCCC2)C1 151523976 RNBYTPOJXZSLGE-KRWDZBQOSA-N 371.481 2.757 0 50 FFAA COCCN1C(=O)C[C@@H](CN[C@@H]2CCC[C@H](C3CC3)C2)[C@@H]1c1cnn(C)c1 328631020 QLTYQAOPQCEZPT-MHYXUVESSA-N 374.529 2.515 0 50 FFAA COCCCN(C(=O)Cc1cn(C)c2ccccc12)C1CCN(C)CC1 72426154 VMSBPDKRQLMGAK-UHFFFAOYSA-N 357.498 2.680 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)c2cccnc2OC)CC3)c1 11935565 GZVJZAJXMWYYFG-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA COc1ccc(N2CCN(Cc3noc(-c4ccco4)n3)[C@H](C)C2=O)cc1 77287312 OGIPCPSVPIGFGZ-CYBMUJFWSA-N 368.393 2.576 0 50 FFAA Cc1cccn2c(CNC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)cnc12 487061443 NUQGOHKFAAUGKT-QFBILLFUSA-N 352.486 2.549 0 50 FFAA CC(=O)c1cc(CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cs1 72476351 XHERQNSSHIAFLL-OAHLLOKOSA-N 361.515 2.520 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)/C=C/c1cncc(O)c1 368300430 YIVKQNGDQIYRLX-KTRBRXNASA-N 353.426 2.653 0 50 FFAA Cc1cc(NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)cnc1Cl 156699301 ZYEZJBGKGYQNMH-UHFFFAOYSA-N 358.760 2.981 0 50 FFAA CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](Oc2ccccn2)C1 370547646 RBFQYKKVTNDXGX-OAHLLOKOSA-N 374.462 2.557 0 50 FFAA CO[C@@H](Cc1ccccc1)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 450706590 KEJIWDHTHBYUOR-FQEVSTJZSA-N 371.452 2.979 0 50 FFAA O=C(CCn1c(=O)[nH]c2ccccc21)N1CCOc2ccc(Cl)cc2C1 214962952 PUJXJRXVBJFBJV-UHFFFAOYSA-N 371.824 2.794 0 50 FFAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2csc(-c3ccccc3)n2)[C@H]2C=C[C@H]1C2 130241870 KAYXOUPZBXPYEA-SDADXPQNSA-N 354.431 2.949 0 50 FFAA COCc1nc(N(C)Cc2cc3cc(F)ccc3[nH]2)c2cnn(C)c2n1 72156948 YNRGNPOQWWRPFX-UHFFFAOYSA-N 354.389 2.767 0 50 FFAA CCn1ncc(NC(=O)Cn2cc(C)c(-c3ccc(Cl)s3)n2)n1 48482808 RINWFZAPAZZXBP-UHFFFAOYSA-N 350.835 2.824 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)c1 77353458 YVVXUWZNFVCCLP-AWEZNQCLSA-N 368.433 2.511 0 50 FFAA C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)c1ccc(NS(C)(=O)=O)cc1 239591382 BBEHFBLXPMXOFE-LMRQPLJMSA-N 365.451 2.609 0 50 FFAA CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 43772105 WLQWTLGHSFPOQC-IJCBKZNRSA-N 372.502 2.670 0 50 FFAA in-vitro O=C(c1ccnc(-n2cccn2)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 286327395 BEOAELBTIDULLB-AQNXPRMDSA-N 374.444 2.912 0 50 FFAA Cc1ccc2cc(C(=O)NC3CCN(C4CCOCC4)CC3)n(C)c2c1 426597407 MKLDDRQSKWQOCA-UHFFFAOYSA-N 355.482 2.860 0 50 FFAA C[C@H](Cn1cccn1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 223222577 FCCSWSFXGBXIMS-GFCCVEGCSA-N 359.817 2.582 0 50 FFAA O=C(NCC1(c2ccccc2)CCCCC1)N1CCC[C@@](O)(CO)CC1 426613587 HDXJEGVMWKNPEJ-NRFANRHFSA-N 360.498 2.807 0 50 FFAA CCc1nnc(CNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)s1 426393083 UTQWKVYNTMNSMI-UHFFFAOYSA-N 368.466 2.554 0 50 FFAA Cc1cccc(SC2CCN(C(=O)[C@H]3NCCc4nc[nH]c43)CC2)c1 426661937 CCGMDFXTJGFCQN-SFHVURJKSA-N 356.495 2.688 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cn3c(C)cccc3n1)C2 91476068 LYLUCRNACJTTOE-DLBZAZTESA-N 366.465 2.672 0 50 FFAA CC(=O)Nc1cc(NC(=O)NC[C@H](O)COC2CCCCC2)ccc1F 96137409 VHIULMIZCOSXMI-AWEZNQCLSA-N 367.421 2.616 0 50 FFAA COCCN1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2Cl)C1 426589910 CTQPJGZZJRGUFF-HNNXBMFYSA-N 353.894 2.840 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc3ccn(C)c3c1)CCN2C 92081351 OAZJYVNRNUJWJT-QFIPXVFZSA-N 368.525 2.697 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1cnn(C(C)C)c1)CC2 91585964 ODDPPILFHNIBIL-UHFFFAOYSA-N 362.518 2.705 0 50 FFAA CCCCSc1nc(N)cc(N2CCC[C@@H](C(=O)c3nccn3C)C2)n1 95378065 AAJIQJWNOYLEEO-CYBMUJFWSA-N 374.514 2.784 0 50 FFAA CCc1nnc(N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)s1 95509804 NUCARORXAQTGQZ-UHFFFAOYSA-N 360.531 2.833 0 50 FFAA C[C@@H](c1ccc(-c2cc(N)nc(N3CCCC3)n2)cc1)N1CCOCC1 97463594 DAPRMNSLVZYMQF-HNNXBMFYSA-N 353.470 2.719 0 50 FFAA Cc1ccc(C(=O)N[C@@H](C)c2ccc(O)c(F)c2)cc1N1CCNC1=O 91809009 RTARPQODDCOASZ-LBPRGKRZSA-N 357.385 2.860 0 50 FFAA Cc1ncc(CN2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)cn1 91548192 WXABNUJJYDPLKS-UHFFFAOYSA-N 365.481 2.585 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3cc(F)ccc3N)cc2F)CC1 236997793 UASJOGBTTMTEML-UHFFFAOYSA-N 360.408 2.941 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2ccccn2)C3)cc1 95370067 PRIMZXRIVLJYNX-AZUAARDMSA-N 365.477 2.756 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1c(OC)ccc(F)c1F)C2 91943344 VQADSBNOUUEYBM-NSHDSACASA-N 363.360 2.963 0 50 FFAA CO[C@@]12[C@H]3[C@H]4[C@H]5[C@H]6[C@@H]7[C@@H]8[C@H]9[C@H]([C@H]7[C@@H]51)[C@@H]2[C@@H]1[C@H]3[C@@H]2[C@@H]([C@@H]91)[C@]8(Br)[C@H]6[C@@H]24 257358367 TULRIWOOIXMAQT-MLJFTOAJSA-N 369.302 2.747 0 50 FFAA COCCC[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 534580310 CICNVLABAUTTHL-OAHLLOKOSA-N 361.442 2.855 0 50 FFAA Cc1cc(-c2ccc(C(=O)N3CCC[C@H]3c3nc(C)no3)cc2)c(O)nn1 584900046 UDCJWYLELJOHKG-INIZCTEOSA-N 365.393 2.826 0 50 FFAA CN(Cc1cscn1)C(=O)NC1CCN(C2CCSCC2)CC1 584889995 SOMLMTBFEYPDOE-UHFFFAOYSA-N 354.545 2.645 0 50 FFAA COCCC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 584894656 YGKXRDGQWNSBAA-KRWDZBQOSA-N 361.486 2.737 0 50 FFAA O=C(NCCc1noc(CO)n1)N(Cc1ccsc1)C1CCCCC1 670459834 BTYJVERAMNSCMB-UHFFFAOYSA-N 364.471 2.710 0 50 FFAA Cc1nc2cc(CNCc3cnc(NC[C@@H]4CCCO4)nc3)ccc2n1C 952974362 IQTGCDFHRRHGRV-KRWDZBQOSA-N 366.469 2.552 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H](c1cccc(C)c1)N(C)C 952973960 HYWSZQLNHVUMOP-LJQANCHMSA-N 365.437 2.826 0 50 FFAA Cc1nc(-c2ccc(NC(=O)[C@H](C)n3cnc4ccccc4c3=O)cc2)n[nH]1 952868996 CYQZXXJILQMOMG-LBPRGKRZSA-N 374.404 2.690 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCC(OCCOC)CC1)(C3)C2 952990166 KRCHPLVDRFCTDK-UMSONDCASA-N 365.514 2.752 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)[C@@H]1CC[C@H]2C[C@@H]2C1 408493539 CDRFXIBAQLOBGW-DJLDLDEBSA-N 364.286 2.752 0 50 FFAA CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 185839239 WMQQPFZBGVHWPG-HXUWFJFHSA-N 372.509 2.865 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1c(O)nc3ccccc3c1C)CC2 170020928 QSJHKRPCJBOMOC-DLBZAZTESA-N 370.449 2.641 0 50 FFAA C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCC(F)(F)F 170631840 VUFUZVFCCUXMTN-NXEZZACHSA-N 369.384 2.608 0 50 FFAA COc1cccc(CNC(=O)CN2CCO[C@H](c3cccc(F)c3)C2)c1 170760191 YIIWPLDERGMUHI-IBGZPJMESA-N 358.413 2.524 0 50 FFAA O=C(NCc1ccnc(OCC(F)(F)F)c1)NC1Cc2ccccc2C1 186493446 JDSVLWDWMIRLPO-UHFFFAOYSA-N 365.355 2.989 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1OCCc2ccccc21 190118275 CPRRVPPZOATPGD-BZSNNMDCSA-N 355.438 2.553 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCC(Oc2ccc(F)cc2F)CC1 191686505 HYGBKTKVGQVLIK-UKPHBRMFSA-N 352.381 2.838 0 50 FFAA CCOC(=O)C1CCN(C(=O)CN[C@@H](c2ccc(OC)cc2)C2CC2)CC1 192507705 SQRUGPGIJKDSLW-HXUWFJFHSA-N 374.481 2.538 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529099445 XRFXAYJAMLEMHP-WOJBJXKFSA-N 364.445 2.519 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]12 1529119540 XSYOEKHVBVDRFI-XLIONFOSSA-N 372.444 2.587 0 50 FFAA O=C(c1cncc(NC[C@H]2CCN(C3CCCCC3)C2)n1)N1CCCC1 1704296978 AXDFXLJMDFXYMN-MRXNPFEDSA-N 357.502 2.779 0 50 FFAA CC(=O)N1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1 11938284 JJLCYFCDIQKUSQ-HXUWFJFHSA-N 357.498 2.965 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12444913 DVSTZQWMVDPZPE-KRWDZBQOSA-N 372.856 2.626 0 50 FFAA CCCCN(C)[C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 14752655 CSEDFWJSVNIYJO-GOSISDBHSA-N 368.525 2.982 0 50 FFAA COc1cc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc(OC)c1 14964791 ACZFPTIPHYLFLV-KRWDZBQOSA-N 358.413 2.734 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(OC)c(C)c3C)C2)C1=O 15062727 QNBHAVFESWUZFI-NRFANRHFSA-N 360.498 2.773 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CC1CCC(F)(F)CC1)C[C@H]2O 1857716941 SRSWWIRYNHMGSL-SOAMZJECSA-N 351.437 2.881 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4coc(-c5ccccc5)n4)[C@@H]2CC(=O)N13 1857730587 SBEIHWCMPQFPFV-UEXGIBASSA-N 367.449 2.899 0 50 FFAA C[C@]1(C(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC(O)=NC1 328859548 YNHBZJTWENINQG-WBMJQRKESA-N 371.359 2.837 0 50 FFAA Cc1ccccc1[C@@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)[C@H](C)CO1 330052736 PNNPWFKLUQBNDA-AOIWGVFYSA-N 368.481 3.342 0 50 FFAA CC[C@H](c1ccccc1)c1nnc(NC(=O)N2C[C@@H](O)C(C)(C)C2)s1 331493462 VQZSFIQGLLQWGQ-ZIAGYGMSSA-N 360.483 3.315 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cnn3cccnc23)C1 263837353 RPQVXBMQPQIOKD-CQSZACIVSA-N 369.856 2.947 0 50 FFAA CC(C)c1cccc(OC(C)(C)C(=O)N2CC[C@H]2CS(C)(=O)=O)c1 1875278473 CDJKPRLRUCHISW-HNNXBMFYSA-N 353.484 2.613 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)ccc21 1875371681 IRYVQMJLPNKHIJ-ZDUSSCGKSA-N 358.438 2.612 0 50 FFAA Cc1c(C(=O)N(C)c2nc3c(s2)C[C@H](C(F)(F)F)CC3)nnn1C 2325766615 GITCUZMYDXXPBV-MRVPVSSYSA-N 359.377 2.524 0 50 FFAA CCc1cn2c(n1)C[C@H](C(=O)NCc1cn3cc(Cl)ccc3n1)CC2 2325779257 SEOFTWFRGGSFNE-GFCCVEGCSA-N 357.845 2.625 0 50 FFAA Cn1nccc1[C@@H](O)C1CCN(c2ncnc3[nH]c4ccccc4c23)CC1 856782494 VSCAVYCQDZLQLQ-SFHVURJKSA-N 362.437 2.795 0 50 FFAA O=C1CN(C(=O)Cc2c[nH]c3nccc(Cl)c23)Cc2ccccc2N1 1469460567 FUCXPJPBYLFSGS-UHFFFAOYSA-N 354.797 2.740 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 818491 RTSLGMMGDHIZFX-UHFFFAOYSA-N 373.796 2.663 0 50 FFAA O=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 4144324 UOIWGJQFFMKHKC-VBQJREDUSA-N 364.323 2.791 0 50 FFAA COc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4269470 JIECTQNWMOWYBD-ZWKOTPCHSA-N 372.446 2.616 0 50 FFAA CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1=O 10462111 FQJAQWLNSPPLLD-QGZVFWFLSA-N 371.481 2.900 0 50 FFAA CC(C)N(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)NC1CCCC1 55061025 MJGULVKLOSDBRQ-UHFFFAOYSA-N 360.454 2.991 0 50 FFAA COc1cccc(C[C@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1 101652395 ZPWVSFLXBPVHAS-INIZCTEOSA-N 367.401 2.584 0 50 FFAA COCCCn1cnnc1[C@H](C)NCc1c[nH]nc1-c1ccc(F)cc1 55243919 NWVPVTZDKMVTEF-ZDUSSCGKSA-N 358.421 2.695 0 50 FFAA Cc1nc(CN2CCCN(C(=O)COc3ccc(F)cc3)CC2)cs1 109649950 QSVCYLCYAAZJDC-UHFFFAOYSA-N 363.458 2.704 0 50 FFAA COc1ccc(F)cc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 114693299 OTTDTLDTPOSSRH-ZDUSSCGKSA-N 352.406 2.964 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(Cn2ccnc2C(C)C)n[nH]1 67954759 TWSQXVFIQFMENZ-AWEZNQCLSA-N 369.473 2.951 0 50 FFAA CCNc1nc(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)s1 67974259 ZUPVLSXGHJZEQN-UHFFFAOYSA-N 360.483 2.711 0 50 FFAA O=C1CCCN1CCC1CCN(Cc2cc3ccc(F)cc3[nH]c2=O)CC1 67975342 PPHPPOHTGDSXLE-UHFFFAOYSA-N 371.456 2.892 0 50 FFAA CCN(C[C@@H]1CCN(C)C1)C(=O)c1coc(COc2ccc(F)cc2)n1 67956189 NSAHFZRPVLGAQG-CQSZACIVSA-N 361.417 2.807 0 50 FFAA COCc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C(C)C)on2)s1 65394861 MRYSDILTUQJMQY-GFCCVEGCSA-N 365.459 2.572 0 50 FFAA CCCC[C@@H]1CN(CCC(=O)NCc2cnn(C)c2)Cc2ccccc2O1 12183145 WXHUJPPGDQVYHQ-LJQANCHMSA-N 370.497 2.880 0 50 FFAA CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@@H]1Cc2ccccc2O1 12198630 FKAWKIMGGQAIES-HNNXBMFYSA-N 365.389 2.901 0 50 FFAA CCn1ncc(NC(=O)c2cc(Br)cs2)c1C(=O)N(C)C 2730685 JFOZYJHOSRXSIP-UHFFFAOYSA-N 371.260 2.681 0 50 FFAA CC(C)(C)NC(=O)CN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72427857 ZRBUMAKRHZXAPX-JOCHJYFZSA-N 371.525 2.806 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1C 77406702 MSZJGSJWKBRDQZ-AWEZNQCLSA-N 361.877 2.550 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(C)c1 77134105 PUWVKPDYIOHCOR-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)c1c[nH]nc1-c1ccccc1 73381462 XNSGCINGNJWHLC-UHFFFAOYSA-N 364.405 2.704 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H](CN3CCCC3=O)C2)c1 72428320 QDOIAFBGFGWYGV-GOSISDBHSA-N 372.509 2.865 0 50 FFAA CC(=O)c1cc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cs1 72476350 XHERQNSSHIAFLL-HNNXBMFYSA-N 361.515 2.520 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(C(=O)c4ccoc4)CC[C@H]32)o1 72453860 YRXAYVPGQJPBJF-MAUKXSAKSA-N 356.422 2.877 0 50 FFAA CCOc1ccc(-n2ccc3c(cnc4nc(SC)nn43)c2=O)cc1 30875197 DJFJWQQTEUKTEU-UHFFFAOYSA-N 353.407 2.549 0 50 FFAA COc1ccccc1OC1CCN(Cc2cccc(OCC(N)=O)c2)CC1 72150883 OANTWZAHNWGBEN-UHFFFAOYSA-N 370.449 2.603 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2cccc(F)c2)CC1 77394034 DPJZHPIUGRKTQX-UHFFFAOYSA-N 371.460 2.570 0 50 FFAA Cc1ccc(C(=O)NCCNC(=O)c2cc(Cl)nc(Cl)c2)cc1 126068344 SPPAOHNSBIGBTG-UHFFFAOYSA-N 352.221 2.857 0 50 FFAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc3c2OCC3)c1 71589624 URWFVFVIJUKTFJ-UHFFFAOYSA-N 361.419 2.673 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@H](c3n[nH]c(C)n3)C2)c1 215134997 CEMNDRDEIVNMPA-HNNXBMFYSA-N 352.442 2.687 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccn1)C[C@H]1CCCO1 219510065 MYTRYDGHOVRDKM-QGZVFWFLSA-N 354.406 2.561 0 50 FFAA c1ccc(OCCCn2ccnc2)c(CN2CCC(c3ncn[nH]3)CC2)c1 215076099 QMRHNWGRVQBVRC-UHFFFAOYSA-N 366.469 2.850 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N1CCc2c([nH]c3ccccc23)C1 333409399 JZGXPGQMCSWYCB-UHFFFAOYSA-N 361.492 2.863 0 50 FFAA Cc1nccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n1 72454222 XQYXCSVTNHXDNI-DOTOQJQBSA-N 356.495 2.907 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C2Cc3ccccc3C2)C1 72425490 CZYVYVWLCGWEQZ-LJQANCHMSA-N 365.525 2.758 0 50 FFAA COc1cccc(OC2CN(C(=O)CSc3nc(C)cs3)C2)c1 222968881 FAAUBIISPYAGGC-UHFFFAOYSA-N 350.465 2.842 0 50 FFAA Cc1nc2cc(CC(=O)N[C@@H]3COCC[C@@H]3OCC3CCC3)ccc2[nH]1 223659017 GHYJOANUCLHFED-MOPGFXCFSA-N 357.454 2.504 0 50 FFAA C[C@@H]1Cc2cc(-c3nccn3Cc3nnnn3-c3ccccc3)ccc2O1 82139309 OXOQIXUYKNATMD-CQSZACIVSA-N 358.405 2.898 0 50 FFAA CC(=O)c1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)s1 82107080 DEWWGYIZOIJPQL-UHFFFAOYSA-N 374.510 2.939 0 50 FFAA Cc1nccn1C[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 82086699 VTCJOTVDEQMKQV-QGZVFWFLSA-N 355.438 2.792 0 50 FFAA O=C(Nc1ccccc1CN1CCOCC1)N[C@@H]1COc2ccccc2C1 48148771 XJRGUYYYPGJSDZ-SFHVURJKSA-N 367.449 2.644 0 50 FFAA Cc1ccnc2nc(-c3nc(-c4ccccc4Br)no3)nn12 225605332 RJGUQIKHUBFTPS-UHFFFAOYSA-N 357.171 2.912 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N[C@@H](c1nccn1C)C1CCOCC1)CC2 286601274 ASYHDTBDPKFGRN-IEBWSBKVSA-N 369.465 2.743 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)CSc3ccccn3)CC2=O)cc1 82160624 VHBOAXCAHXGQGL-HNNXBMFYSA-N 355.463 2.746 0 50 FFAA CCc1cnc(-c2ccc(C(=O)NC3(C(=O)NC)CCCCC3)cc2)nc1 426495561 CQFYZRREFMOLRC-UHFFFAOYSA-N 366.465 2.885 0 50 FFAA COc1ccc2c(CC(=O)N[C@H]3CCc4nnc(C(C)C)n4C3)coc2c1 195254671 ABXONUUBIQPGEQ-AWEZNQCLSA-N 368.437 2.830 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)NC[C@]3(C)CCCO3)c2C1 176500990 RHWVWYVLGFQGMS-NRFANRHFSA-N 353.466 2.912 0 50 FFAA CC(C)(C)n1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)c1 220585243 UGTKZYZTPOVPPR-QZTJIDSGSA-N 357.454 2.742 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)c1 82098131 BHWHZZIDAVGIQX-UHFFFAOYSA-N 369.465 2.850 0 50 FFAA CCOC(=O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405611 ISKRQPAIKLFNLS-QMMMGPOBSA-N 351.712 2.874 0 50 FFAA O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CC[C@H](n2cccn2)C1 292856696 CFMNSRHJWWDQSN-INIZCTEOSA-N 365.412 2.784 0 50 FFAA CC(C)c1noc([C@H]2CCCN(C(=O)c3cc(-c4cccn4C)n[nH]3)C2)n1 91665660 BCSIDWUCEFDEBC-ZDUSSCGKSA-N 368.441 2.941 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CSc2ccncc2)C[C@H]1c1ccc(F)cc1 91624558 GMDQKOAEGVQOGS-JKSUJKDBSA-N 360.410 2.640 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1-c1nc[nH]n1 91459432 CXWQNYLFADODJJ-UHFFFAOYSA-N 358.405 2.930 0 50 FFAA COC[C@]1(O)CCN(C(=O)CSCc2ccccc2C)CC1(C)C 91625748 DPJOUPOUVXGVKA-LJQANCHMSA-N 351.512 2.864 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H](c1ccccc1F)N(C)C 95371212 CRWQUYRXQJHTJS-QGZVFWFLSA-N 369.400 2.532 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)Cn2cc(Cl)cn2)C3)c1 96161987 AGZJEOSWKYSXQJ-UHFFFAOYSA-N 371.828 2.520 0 50 FFAA CN(C)CCCN(C)C(=O)c1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1 426517759 CEHBKAKXXNMPSR-UHFFFAOYSA-N 364.453 2.557 0 50 FFAA CC(C)N1CCC[C@]2(CCN(C(=O)COc3ccc(F)cc3F)C2)C1=O 91695418 ZJIIXMXVYCTSDP-LJQANCHMSA-N 366.408 2.593 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)c3cc(F)ccc3n1C)CC2 91745993 RGTMOBGHUUHFQK-SJORKVTESA-N 360.429 2.628 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1 91574118 MTOOQPULRFHYOT-OAHLLOKOSA-N 350.422 2.846 0 50 FFAA C=Cc1ccc(C(=O)N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)cc1 96164397 YECQPRTVBOTVFY-UWJYYQICSA-N 354.450 2.731 0 50 FFAA CC(C)c1noc([C@@H]2CCCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)n1 95528879 BHLYOPILOYTFJN-HNNXBMFYSA-N 369.425 2.590 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(Cc2cc(=O)n3cc(C)sc3n2)C1 91690742 UJZIZPIIPDCBRF-IBGZPJMESA-N 361.511 2.995 0 50 FFAA O=C(NCCSC1CCCCC1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 97713600 NLVSDWMQEKTCBL-AWEZNQCLSA-N 362.495 2.927 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 91951158 DOKABZJJXLSNPD-GXTWGEPZSA-N 365.861 2.567 0 50 FFAA CN(CCC(=O)NCc1ccccc1F)C[C@@H]1COc2ccccc2O1 244852615 UVRWIDVKPQQNHE-MRXNPFEDSA-N 358.413 2.604 0 50 FFAA CCc1n[nH]c(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1Br 294244840 BDTIPROKAOZIFB-ZFWWWQNUSA-N 354.248 2.518 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)[C@@H]1CC=CCC1)CC2 299742044 GMYDEYVOPCBYEE-CJNGLKHVSA-N 359.422 2.961 0 50 FFAA Cc1ccc(-n2ncc(-c3ccccc3)c2NC(=O)[C@@H]2CNC(=O)C2)cc1 1940198196 UCJALMFSQRVFHT-INIZCTEOSA-N 360.417 2.922 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(O)nc4ccccc34)[C@H]2C1 299789690 ACVGQXOHRHRVSC-ASUYLVSUSA-N 356.422 2.739 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)s3)cc2C1 299767646 MQYAZMLJFMPJPV-UHFFFAOYSA-N 366.874 2.526 0 50 FFAA COc1ccccc1-c1cccc(NC(=O)NC[C@@]2(O)CCCNC2)c1 299771796 UUQSUKHRTYYPDN-HXUWFJFHSA-N 355.438 2.598 0 50 FFAA CN1CCOC[C@@H](CNC(=O)c2cccc(-c3cccc(N(C)C)c3)c2)C1 299780312 BXUMIPMYVNAIQD-KRWDZBQOSA-N 367.493 2.728 0 50 FFAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)Cc2cccc(C)n2)cc1 299766010 ZGHIPLPJWRAKQW-CQSZACIVSA-N 361.467 2.513 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)CCc2c(C)noc2C)n1 952974606 WFUUGXLXLDACOL-HNNXBMFYSA-N 362.430 2.550 0 50 FFAA OC1(c2ccc(F)cc2)CN(c2nc(-c3ccncc3)nc3c2CCC3)C1 170083758 VUMQTVNMQNTDFI-UHFFFAOYSA-N 362.408 2.874 0 50 FFAA O=C(Nc1ncccc1Cl)[C@@H]1C[C@H]1C(=O)Nc1ncccc1Cl 192796684 RHQPEABNWIPRCW-RKDXNWHRSA-N 351.193 2.997 0 50 FFAA O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 195375501 ZRMRGVBIKYCFPP-HXUWFJFHSA-N 373.412 2.954 0 50 FFAA CC[C@@H](C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC 788407067 ACLZYMMIZRRSMV-GHMZBOCLSA-N 363.863 2.605 0 50 FFAA Cc1ccc(C)c(OCCc2nnc(NC(=O)[C@@H](C)CN(C)C)s2)c1 1529181380 NIPYRHJKCNKESD-AWEZNQCLSA-N 362.499 2.913 0 50 FFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC)c(Cl)c2)n1 11903379 BXYAFEQWGFBCCB-UHFFFAOYSA-N 353.831 2.725 0 50 FFAA C[C@H](Cc1cnccn1)NC(=O)c1coc(COc2ccc(F)cc2)n1 12091952 FEELNHOFPNVYOV-GFCCVEGCSA-N 356.357 2.544 0 50 FFAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)Cc2ccccn2)CC1 12318607 IQSSZYYTHNXBGK-UHFFFAOYSA-N 369.469 2.669 0 50 FFAA CC(C)CN1CCC([C@@H]2CCN(S(=O)(=O)CC(F)(F)F)C2)CC1 15072481 CVQVEBSPWBQVCS-CQSZACIVSA-N 356.454 2.568 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]c1C 15074458 VPKJQMSZEVOVKS-IBGZPJMESA-N 367.493 2.819 0 50 FFAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCOCC1)C3 19301138 LYSDPIFEJTUPKL-CQSZACIVSA-N 361.511 2.694 0 50 FFAA CC(C)(C)CN1CCC[C@]2(CCN(C(=O)c3nnc4n3CCCCC4)C2)C1 19642555 DUJYJJKCQQWQIP-NRFANRHFSA-N 373.545 2.979 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3ccc(Cl)cc3)nn2)n1 19924034 YUMRAVZJPVBOKO-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1857528666 LZYOJJPOMSQXRF-CVEARBPZSA-N 368.481 2.698 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857668296 IRJLNJSSHCFLDE-NRFANRHFSA-N 368.481 2.938 0 50 FFAA CCN1CC[C@@H](COc2ccc3c(c2)CCOC32CCN(C(C)=O)CC2)C1 1857697567 DQGWBXSBNKSMAJ-GOSISDBHSA-N 372.509 2.818 0 50 FFAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1cccc(C(F)(F)F)c1 11693054 JEMRTKIEVWXCLU-UHFFFAOYSA-N 353.348 2.931 0 50 FFAA Cc1cc(C)nc(N2C[C@@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@@H]3C2)n1 247929749 QAUHRIWLKPNXJE-MSOLQXFVSA-N 370.428 2.875 0 50 FFAA CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccccc3C)CC2)nc1 264864899 MZILJMVWCWURJX-UHFFFAOYSA-N 366.465 2.539 0 50 FFAA Cn1nc(-c2ccncc2)cc1NC(=O)c1cccc(Cn2ccnc2)c1 499232655 KBDRGTWUDYXHGT-UHFFFAOYSA-N 358.405 2.979 0 50 FFAA O=C(Nc1nnc(C(F)F)s1)C1CCN(C(=O)c2ccccc2)CC1 266049319 OCPPNLDUTYOQJD-UHFFFAOYSA-N 366.393 2.967 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2oc(CC4CC4)nc2C)C3)o1 952851051 CYLNMYZPUHMESB-LIRRHRJNSA-N 356.426 2.821 0 50 FFAA COc1ccc(-c2nc(C(=O)N[C@H]3CCc4nc[nH]c4C3)c(C)o2)cc1 1875254772 QIZMBKITILTLJO-ZDUSSCGKSA-N 352.394 2.669 0 50 FFAA CNC(=O)[C@]1(C)CCN(C(=O)N[C@H](C)c2ncc(-c3ccc(F)cc3)o2)C1 1875300833 RYUVDAUOMVVELC-CWTRNNRKSA-N 374.416 2.709 0 50 FFAA C[C@H](CC(=O)NCCc1cc(C(=O)O)n[nH]1)c1ccccc1C(F)(F)F 1875307482 NIZQGNWTDXBSAP-SNVBAGLBSA-N 369.343 2.979 0 50 FFAA CC1CC(C(=O)N[C@@]2(C)CCCN(C(=O)c3nc(Cl)cs3)C2)C1 1875407425 ZPDCITOFSMEFOS-PRDDCLIZSA-N 355.891 2.954 0 50 FFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccccc1CCC(F)(F)F 888079322 WJEFXMUVSJROEL-MRXNPFEDSA-N 359.344 2.887 0 50 FFAA CCOC[C@@H]1CN(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)CCO1 888100040 YULPPPARXUWZRY-JYJNAYRXSA-N 350.434 2.909 0 50 FFAA CN1CC[C@H](NC(=O)c2sc(C(F)(F)F)nc2-c2ccccc2)C1=O 2325784763 IBYHJLHIKCCHKR-JTQLQIEISA-N 369.368 2.789 0 50 FFAA C[C@H](c1ccccc1)[C@H]1NC(=O)[C@@H](Cc2ccc(C(F)F)cc2)NC1=O 2325787675 PJDKRKYMYFHRIS-CSMYWGQOSA-N 358.388 2.954 0 50 FFAA Cc1ccc2c(=NC[C@H](C)N3CCN(c4ccccc4)CC3)[nH]cnc2c1 2325859909 PHZJYNHQXJVGPN-SFHVURJKSA-N 361.493 2.983 0 50 FFAA CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 817057 NSQOHUSWNSWJSB-UHFFFAOYSA-N 363.435 2.762 0 50 FFAA Cc1cc(C)cc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 882605 XFYUTVZYCKSTEB-UHFFFAOYSA-N 372.490 2.654 0 50 FFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NC1CC1 1143424 DDFHRMMHJSSRBW-UHFFFAOYSA-N 370.902 2.942 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 10302311 BVYUIZNOGPXMHN-NSHDSACASA-N 364.389 2.706 0 50 FFAA Cc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1Cl 101672063 KXRVUFRNLIWJKV-HEHGZKQESA-N 370.902 2.719 0 50 FFAA Cc1nsc2ncc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 110408523 BUCXQKVDNJVWIB-GFCCVEGCSA-N 362.455 2.739 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2[nH]nc3c2CCC3)cc1NC(=O)C1CC1 67672999 RBWBXJJIFNXSFC-UHFFFAOYSA-N 352.438 2.828 0 50 FFAA COc1cc(Cl)cc([C@H]2CC(=O)NCc3nc(N)sc32)c1OC 65382053 YHPMRQSKLJWADK-SECBINFHSA-N 353.831 2.548 0 50 FFAA CCn1c(C2CCN(Cc3cc(-c4ccccc4)no3)CC2)nn(C)c1=O 67673205 WYXBPQMBLMMGRT-UHFFFAOYSA-N 367.453 2.636 0 50 FFAA CCN1CCC[C@H](CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67880759 QFIIPSGMDAQHAD-MRXNPFEDSA-N 356.470 2.793 0 50 FFAA CCCn1cc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)cn1 65419125 NOGGPUXHKCRYTF-AWEZNQCLSA-N 365.437 2.762 0 50 FFAA COc1cccc(CN2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)c1 20551321 FSGLIKXSWHHADL-GOSISDBHSA-N 367.493 2.690 0 50 FFAA O=C(CCC(=O)N1CCC(c2ccncc2)CC1)Nc1cccc(O)c1 67458787 BOLPJGFRSDXACO-UHFFFAOYSA-N 353.422 2.912 0 50 FFAA Cc1cccnc1CCNC(=O)c1cc(CN(C)Cc2ccccc2)on1 67739986 YPXPWAQPXGEVCI-UHFFFAOYSA-N 364.449 2.983 0 50 FFAA Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC(=O)NC(C)C 252508631 XQBRYTDKUSDCFX-UHFFFAOYSA-N 369.343 2.923 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cnc4ccccn34)C2)CCC1=O 77518969 GTXDCFNCQJQKIC-NRFANRHFSA-N 368.481 2.979 0 50 FFAA CCn1cc2nc(SCc3cc(C=O)ccc3OC)n(CC)c(=O)c2n1 2802303 GZTGELYIFLOTAL-UHFFFAOYSA-N 372.450 2.746 0 50 FFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CNC[C@@H]1COc2ccccc2O1 229653183 ZSXGNGNMCAKDJZ-INDMIFKZSA-N 373.493 2.786 0 50 FFAA CN(Cc1ccccc1N1CCCC1)C(=O)N[C@@H]1CCc2[nH]ncc2C1 153801742 UZJJCRWNHDHZHR-QGZVFWFLSA-N 353.470 2.709 0 50 FFAA O=C([C@H]1CCCN1C1CCOCC1)N1CCC(Cc2cccnc2)CC1 361101494 IUFYNVAMJVABCN-HXUWFJFHSA-N 357.498 2.506 0 50 FFAA C[C@H](Cc1ccccc1)NN1CCN(N[C@H](C)Cc2ccccc2)CC1 71767068 SWRHIIJIZJJYGU-WOJBJXKFSA-N 352.526 2.876 0 50 FFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)on1 33270432 PVSCZAUMJOWFDH-GFCCVEGCSA-N 364.452 2.768 0 50 FFAA Cc1cc(C(=O)NCCCSc2nnc(C)s2)c2c(C)noc2n1 216107794 MDPNQDLVCZNMKD-UHFFFAOYSA-N 363.468 2.912 0 50 FFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccnc2)CC1 72454061 ZUVMGBGFHWCAIG-UHFFFAOYSA-N 352.394 2.614 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)C[C@H]2C=CCC2)CC1 72430752 BKISCCBLBAKXCX-HNNXBMFYSA-N 359.422 2.876 0 50 FFAA O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccn(C2CCCC2)n1 156547069 FSNLBGHPLUZLJB-UHFFFAOYSA-N 366.465 2.984 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)cc1 156784340 MZXAHZOYDATJRG-UHFFFAOYSA-N 356.466 2.768 0 50 FFAA Cc1ncc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)s1 371374597 RNIZJYLJZRDRAN-UHFFFAOYSA-N 365.524 2.737 0 50 FFAA Cc1nc(CN2CCOC[C@@H]2CC(=O)Nc2ccc3c(c2)CCC3)co1 72436047 GZYWSJFXFRKSBK-IBGZPJMESA-N 355.438 2.701 0 50 FFAA CC(C)S(=O)(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 77421627 SURROVIYYHTZLN-IBGZPJMESA-N 364.511 2.629 0 50 FFAA Cc1nnc(CCNC(=O)CCCc2nc(-c3ccccc3C)no2)s1 219174635 MGEUPUZYTPHBQK-UHFFFAOYSA-N 371.466 2.887 0 50 FFAA O=C(c1cccc(F)c1F)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219811317 ATGDTOVJYMTEOH-IBGZPJMESA-N 369.371 2.899 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCN2CCOCC2)cc1 77392487 WSPXPNBKICUTOC-NRFANRHFSA-N 373.541 2.914 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3ccc(OCCCN(C)C)cc3)C2)n[nH]1 215976246 RDEKWDJPWHGXPX-GOSISDBHSA-N 357.502 2.823 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](c4nncn4C)C3)cc2)n1 72141979 BLKIIPABRYDDIS-KRWDZBQOSA-N 364.453 2.637 0 50 FFAA c1ccc(Cc2nc(CNc3ncnc4c3CCNCC4)cs2)cc1 72425112 KNRXTQFEWREDIU-UHFFFAOYSA-N 351.479 2.824 0 50 FFAA Cc1ccccc1[C@@H](Cn1cnc2cn(C)nc2c1=O)N1CCC(C)CC1 72476941 BUPXBSPIJDGMGN-LJQANCHMSA-N 365.481 2.912 0 50 FFAA COc1ccc(-c2nn3c(N4CCN(C)CC4)cc(C)nc3c2C)cc1 40216829 OHSKXORJYYAFMH-UHFFFAOYSA-N 351.454 2.774 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N[C@@H](c3nccn3C)C3CC3)nc2c1 222531946 VXMIAPXBEYXICE-MRXNPFEDSA-N 355.467 2.964 0 50 FFAA Cc1[nH]cnc1CN1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 46171973 FLTHBOIQQZINIY-DLBZAZTESA-N 360.845 2.619 0 50 FFAA Cc1nc2ccccn2c1C(=O)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 48308335 OQAKEENRYCGAMT-OAHLLOKOSA-N 364.453 2.664 0 50 FFAA CSCCN1CCN(C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 426508163 XUBIOEXWNNQEIL-IBGZPJMESA-N 370.522 2.861 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)N[C@H]3CC[C@H](O)CC3)C2)cc1 426387971 QJVNEIJQNOTJCO-ULQDDVLXSA-N 362.470 2.799 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CCC1=O 82139020 GTLAFOQGWDJEOG-IBGZPJMESA-N 352.425 2.816 0 50 FFAA COC(=O)Cc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1 334163150 MPUVEJDDFPSUBL-UHFFFAOYSA-N 363.417 2.671 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 426533743 GIKNEPASFKUBJO-CYBMUJFWSA-N 371.441 2.525 0 50 FFAA COc1cc(CN2CCC2)ccc1OC[C@@H](O)CN1CCCCCCC1 95524954 HRHQFUJODADPBH-IBGZPJMESA-N 362.514 2.907 0 50 FFAA COc1ccc(Cn2cc([C@H](C(=O)O)N(C)Cc3cccnc3)cn2)cc1 95389461 WQXQHTNDFDEQMD-LJQANCHMSA-N 366.421 2.593 0 50 FFAA CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cn1 20606098 QCHWTDLOGXTOHQ-UHFFFAOYSA-N 352.847 2.559 0 50 FFAA Cc1cccc(CN2CCN(C(=O)Nc3cnn(C(C)C)c3)CC2=O)c1 426490590 MKEGKGSDHRLFPT-UHFFFAOYSA-N 355.442 2.649 0 50 FFAA CNc1ncc(C(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)cn1 97604068 CZTYWKFOWDOAEU-OAHLLOKOSA-N 362.433 2.573 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95383105 UTDSCUBPHFFRMV-MRXNPFEDSA-N 364.405 2.756 0 50 FFAA O=C(c1scc2c1CCCC2)N1CCC[C@H](c2ccn(CCO)n2)C1 426406306 PJPYOGTXUKKVGF-AWEZNQCLSA-N 359.495 2.836 0 50 FFAA O=C(NC[C@@H]1CCOC1)c1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1 426690770 XHLDANBQTFOFNH-HNNXBMFYSA-N 368.433 2.949 0 50 FFAA O=C(CCC1CCN(CCO)CC1)N1CCC(Cc2ccccc2)CC1 95501925 AWMQXWHBDJSKNA-UHFFFAOYSA-N 358.526 2.952 0 50 FFAA Cc1cc(N2C[C@H](CO)[C@H](CN3CCCC3)C2)nc(-c2ccccc2)n1 91737561 HBCRJCDJOUGKOG-RTBURBONSA-N 352.482 2.593 0 50 FFAA O=C1CCC2(CCN(C(=O)NC3CCCC3)CC2)CN1Cc1ccncc1 91321662 MVPQTKROYRYKMO-UHFFFAOYSA-N 370.497 2.938 0 50 FFAA Cc1nc(C)n(CCNC(=O)Nc2ccccc2CCc2ccccn2)n1 96139440 MIJNPVILIKCEML-UHFFFAOYSA-N 364.453 2.897 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCCN(Cc3cccnc3)CC2)cc1C 95359153 ATSJTNCQDPDBIV-FQEVSTJZSA-N 369.465 2.732 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(Cc1cnn(CC)c1)CC2 92077774 AWSZFSKFAJRNOF-UHFFFAOYSA-N 356.518 2.776 0 50 FFAA COC[C@H]1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97594886 FPJHEQADUFNGAR-HNNXBMFYSA-N 356.422 2.680 0 50 FFAA Cc1cc(C)n([C@@H](C)C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1 97155788 DOIXDHYTHBZUGG-KRWDZBQOSA-N 363.465 2.891 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC(Nc3ccccn3)CC1)C2 92019534 GYDUGIYIPFURPV-INIZCTEOSA-N 367.449 2.744 0 50 FFAA Cn1nccc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91780025 QWXCYRYZUOHJFC-RBUKOAKNSA-N 352.482 2.589 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1cccc(N2CCN(C)C2=O)c1 244858560 VNHUSSUEFUGCEU-UHFFFAOYSA-N 370.457 2.733 0 50 FFAA Cc1c(C(=O)N[C@H]2CC23CCCCC3)nnn1-c1ccc2c(c1)OCCO2 180665423 ATSDKXJLNNXCJR-KRWDZBQOSA-N 368.437 2.800 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(C)s1 244723704 MFSWTIBGGGOTNI-XEZPLFJOSA-N 352.481 2.550 0 50 FFAA COc1ccc2c(c1)nc(CNC(=O)[C@@H]1Cc3cc(C)c(C)cc3O1)n2C 184197157 DPSOMEWHOHPPKQ-IBGZPJMESA-N 365.433 2.819 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N[C@H]3CCCc4nc(O)ccc43)c2n1 298724392 SWQVISHEGYYZAY-HNNXBMFYSA-N 351.410 2.563 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)N(C)Cc2noc(C(C)C)n2)c1 534666116 QOTBRKPJIOPPBU-UHFFFAOYSA-N 366.425 2.964 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c1 534670117 KXZFNKPOIYGRGA-GOSISDBHSA-N 368.481 2.966 0 50 FFAA C[C@@H](NC(=O)Cn1cnc2ccsc2c1=O)c1nc2c(s1)CCCC2 299794996 NSVXYTROYLNSIU-SNVBAGLBSA-N 374.491 2.671 0 50 FFAA CCN1CC[C@H](NC(=O)N(CCCO)Cc2cccc3ccccc23)C1 584885619 ORJFYTRDGYUQDC-IBGZPJMESA-N 355.482 2.828 0 50 FFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 269247824 MZIWHGWGQDFPKX-LVCYWYKZSA-N 355.526 2.814 0 50 FFAA Cc1noc(CCCNC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)n1 272846192 SXGDOXGWQRANOR-HNNXBMFYSA-N 360.462 2.977 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)CCc1ccco1)CC2 277593324 GXTBWUBBVJLHMO-INIZCTEOSA-N 373.405 2.830 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cccnc1 170838760 MPAYJXWMOODYTR-MAUKXSAKSA-N 367.449 2.962 0 50 FFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 188086236 YWVUEGJYJLNWBB-CRAIPNDOSA-N 360.502 2.921 0 50 FFAA CCc1nn(C)c(CC)c1CC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 189069991 JKZBXQNBRFFJQY-HNNXBMFYSA-N 354.498 2.955 0 50 FFAA C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1nnc2ccccn12 190079629 PYOHNBKHEXXYPP-LBPRGKRZSA-N 371.470 2.533 0 50 FFAA O=C(O[C@H]1CCCN(c2ccccc2)C1=O)c1nnc(O)c2ccccc12 734572929 HUHYUXFNKWEMMA-INIZCTEOSA-N 363.373 2.688 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc4nc(C)c(C)nc4c3)CCN12 1529167718 MRNSNBRJFSAQBV-ZWKOTPCHSA-N 368.481 2.572 0 50 FFAA Cn1nccc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297517 BNMZUOSHTKJARE-JOCHJYFZSA-N 373.460 2.997 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CCOC)C1 12002170 JWDVUWMGVMLTRO-LJQANCHMSA-N 351.418 2.577 0 50 FFAA CCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 12404225 ZXFMJSXMIUUKHF-UHFFFAOYSA-N 368.433 2.739 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(Cl)c1Cl 13942765 RHTZWMPSUOXWQY-MDZLAQPJSA-N 356.253 2.721 0 50 FFAA CNC(=O)c1nn(C)c2c1C[C@@H](N(C)Cc1cc3ccccc3s1)CC2 14536800 ZJNTTYSAEAGITP-AWEZNQCLSA-N 368.506 2.984 0 50 FFAA O=C(CCN1CCCO1)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 14956454 KEKQHQIZUDPKKG-QGZVFWFLSA-N 352.438 2.665 0 50 FFAA O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 18240828 VHFORPFEKISBNE-FQEVSTJZSA-N 361.445 2.670 0 50 FFAA COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 19204597 HYBRYAPKQCZIAE-UHFFFAOYSA-N 369.417 2.846 0 50 FFAA biogenic,in-vitro O=C(Cc1cccnc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857694213 FMDKACCJDKMOHC-CEXWTWQISA-N 371.868 2.608 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2cc(C)nc3cc(OC)ccc23)CC[C@H]1O 1857712795 SQPCYFACISHSOG-CTNGQTDRSA-N 372.465 2.537 0 50 FFAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)nc2ccccn12 1857729838 HLVUIAANLCYESB-AWEZNQCLSA-N 368.462 2.739 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C2CC2)C(=O)C1 328589347 UIZJSCRIGWLBOI-FQEVSTJZSA-N 367.424 2.812 0 50 FFAA O=C(Nc1cccc(C(=O)N2CCOC3(CCC3)C2)c1)c1cccnc1 128168229 GVLONGLMBWARJM-UHFFFAOYSA-N 351.406 2.729 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)N1CCO[C@@H](c2cccs2)C1 161765522 QLPZNVGQHZCVHR-CYBMUJFWSA-N 359.407 2.924 0 50 FFAA CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@H](O)[C@@]12CCSC2 1875267296 CXYDLKMNQQWHID-KXBFYZLASA-N 374.462 2.516 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)[C@H]1CCOc3ccc(Cl)cc31)C2 1875260000 WCEGDDLAMRIPLH-ZDUSSCGKSA-N 360.845 2.963 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)OCC3)cnc1Br 1875316773 GCKBJKFHBQENRX-UHFFFAOYSA-N 369.240 2.888 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 1875311911 OWGNSAAOKFOKDM-DKISHCGFSA-N 358.482 2.565 0 50 FFAA COc1ccccc1[C@H](CNC(=O)[C@H](C)[C@H]1CCNC1)N1CCCCC1 1875336113 SLGCEPDCBJCAEB-AOIWGVFYSA-N 359.514 2.584 0 50 FFAA O=C1[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)N1Cc1ccncc1OCc1ccccc1 1875309636 GXOQAXFQZXMGHS-VDZJLULYSA-N 363.417 2.976 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2cc(Br)no2)C1 886078262 RETOFOLCYGODLV-BNOWGMLFSA-N 358.280 2.511 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccc3[nH]ccc3c2)C1 886039571 UWMZXTBRLNSIAL-FUHWJXTLSA-N 351.406 2.871 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(OC)cc3)C2=O)cc1 100064177 LULDJJPSEIZKPJ-LJQANCHMSA-N 368.433 2.906 0 50 FFAA CC(C)[C@@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)C(=O)O 4698228 JQSRGQIYYVCSDD-RBFDBLARSA-N 372.446 2.744 0 50 FFAA CC1(C)C[C@@H](C(=O)NCc2nc3cccnc3[nH]2)CN1Cc1ccccc1 2325807566 DIQNNVZPDYGIQP-MRXNPFEDSA-N 363.465 2.875 0 50 FFAA O=C1CCCc2ccc(C(=O)OCC(=O)C3CC4(CCOC4)C3)cc2N1 2325807957 NEUXDMLULJYRHR-UHFFFAOYSA-N 357.406 2.504 0 50 FFAA CC(=O)N[C@H]1C[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3Cl)C[C@H]2C1 2325855353 UAZFRNVGKXNIDD-BUJMLFLGSA-N 361.873 2.648 0 50 FFAA N[C@H](CNC(=O)c1cc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1F 2325858185 CBPLOKBLYNRHMX-GFCCVEGCSA-N 350.756 2.924 0 50 FFAA Cc1cccn2cc(C(=O)N[C@@](C)(CCc3ccccc3)C(=O)O)nc12 2325865482 DXTQWTWKLOYTGJ-FQEVSTJZSA-N 351.406 2.849 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2csc(Br)c2)CC1 2325888406 QESIJPFZCGCDIR-UHFFFAOYSA-N 357.273 2.551 0 50 FFAA CCOC(=O)CN(C(=O)c1cn(-c2ccccc2)nn1)c1ccccc1F 125178101 KBUDQJFJYJWGDH-UHFFFAOYSA-N 368.368 2.616 0 50 FFAA CC1(C)NC(c2c(F)c(F)c(F)c(F)c2F)=[N+]([O-])[C@]1(O)c1ccccc1 2865159 WZBYRFUKDKNFRS-KRWDZBQOSA-N 372.293 2.866 0 50 FFAA O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1CCCO 4844968 GBBFSBJHELANNY-VQHVLOKHSA-N 350.374 2.678 0 50 FFAA CCOc1cccc(CN(CCO)Cc2cc(OC)c3c(c2)OCO3)c1 55404683 WQRQQGDRTBFFPV-UHFFFAOYSA-N 359.422 2.817 0 50 FFAA C[C@@H](O)Cc1cn(C2CCN(C(=O)c3ccc4sccc4c3)CC2)nn1 20235177 JTRDKSWVBAGXPW-CYBMUJFWSA-N 370.478 2.893 0 50 FFAA Cc1ncc2c(c1-c1noc(CC(C)C)n1)CCN(C(=O)c1ccon1)C2 20906595 UYSSEBXGCHTUAA-UHFFFAOYSA-N 367.409 2.825 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N(CC1CCC1)C[C@@H]1CCCO1 65530919 MOLGSCUIJZNRAY-SFHVURJKSA-N 352.438 2.960 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc1 64799696 DTCZEBQJPWEFDH-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccncc1F 67867890 GUXBLRVYOVXUMS-UHFFFAOYSA-N 365.412 2.620 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCc2onc(-c3ccccc3)c2C1 67908909 NXCDJFNTLBTDLC-UHFFFAOYSA-N 363.417 2.856 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(O)(c3ccc(C)cn3)CC2)c1C 67724656 GPRTUGHDRFJAGW-UHFFFAOYSA-N 355.438 2.661 0 50 FFAA COc1ccc(F)c(C(=O)NC2CCN(Cc3cccnc3)CC2)c1OC 252490583 KXGWGVNKPVVZAR-UHFFFAOYSA-N 373.428 2.632 0 50 FFAA CCCN1CCN(Cc2ccc(CC(C)C)s2)[C@H]2CS(=O)(=O)C[C@H]21 72407350 SGNCJGRXMJIWGQ-MSOLQXFVSA-N 370.584 2.640 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(Cl)c[nH]c2=O)c2ccncc2)cc1 215128269 ITVKARBVJAUUKC-QGZVFWFLSA-N 369.808 2.951 0 50 FFAA COCC1(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)CCC1 72167216 VRLSAXIMVSICRP-XUVXKRRUSA-N 370.493 2.598 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(F)cc1 77408038 PGERFFKXKWBMSO-KRWDZBQOSA-N 368.474 2.523 0 50 FFAA C[C@@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(-c2ccccc2)ns1 475821939 ROJFFKUWXAFVQI-NSHDSACASA-N 353.469 2.707 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 77377911 QMKZHNZSGZKYAS-SFHVURJKSA-N 360.479 2.909 0 50 FFAA O=C(CN[C@H]1CCCc2ccc(O)cc21)N[C@@H]1CCOc2ccccc21 253416022 MHXCJNOHSHSJDC-RBUKOAKNSA-N 352.434 2.999 0 50 FFAA CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1c1nc(C2CC2)no1 375239519 JYHQSJNUPASGCO-SFHVURJKSA-N 364.453 2.621 0 50 FFAA Cc1ncsc1CCN(C)c1nccc(-c2cc(C(=O)O)ccn2)n1 77440527 VEIYTDWWNKSXSL-UHFFFAOYSA-N 355.423 2.681 0 50 FFAA CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 71754816 XEGBHMPQKIFLJJ-UHFFFAOYSA-N 350.465 2.911 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)CC2)OC1=O 72150599 DXSKEBBQSVBTBF-KRWDZBQOSA-N 360.439 2.585 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)cc1C 77381092 ULNVLSXPXWEYJK-FQEVSTJZSA-N 370.493 2.778 0 50 FFAA CN1CC[C@@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@H]1c1ccccc1 332856337 XUSRGJISLLQPDO-UYAOXDASSA-N 367.449 2.742 0 50 FFAA c1nc(C2CCCCC2)ncc1CN1CCN([C@H]2CN3CCC2CC3)CC1 77379298 TXZGAKMAXGKSON-NRFANRHFSA-N 369.557 2.736 0 50 FFAA NC(=O)c1cccnc1N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72410195 CKORETKLDTXNPB-LBPRGKRZSA-N 365.359 2.675 0 50 FFAA CNS(=O)(=O)c1ccc(CN(C)Cc2cccc3cnccc23)cc1 71752253 JVXJUEZWUJUWBI-UHFFFAOYSA-N 355.463 2.775 0 50 FFAA CCc1cccc(C)c1N1C[C@@H](C(=O)NCCc2cccnc2)CC1=O 220295396 JNBAKXKMBPCKMR-SFHVURJKSA-N 351.450 2.664 0 50 FFAA Cc1ncsc1CCNC(=O)CCCc1nc(-c2ccncc2)no1 220082226 QWHTYQCLWKMNQY-UHFFFAOYSA-N 357.439 2.578 0 50 FFAA CC(C)(C)OC(=O)NCCCSc1nncn1CCc1ccccn1 241588140 OZYSARFEOBWHRL-UHFFFAOYSA-N 363.487 2.923 0 50 FFAA CCn1cc(CNC(=S)Nc2sc(C)cc2C(=O)OC)c(C)n1 17073097 DUZKSQGVKRFBNJ-UHFFFAOYSA-N 352.485 2.855 0 50 FFAA O=C(c1ccnc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1)N1C[C@H]2CCC[C@@H]2C1 177020911 NNRNEYVOCUIYPF-TVFCKZIOSA-N 353.466 2.826 0 50 FFAA CCOc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)o1 222550501 RFBQYJWHJBGZIK-ZOJXTTQQSA-N 357.406 2.855 0 50 FFAA CCCN1CCCn2nc(CNC(=O)NCCc3ccccc3)cc2C1 82107313 IOGUUDKABBHICQ-UHFFFAOYSA-N 355.486 2.541 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)[nH]n1 82097164 CBCYHGHTUZXZRN-INIZCTEOSA-N 365.437 2.632 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3c(F)cccc3F)C2)CCC1=O 82120818 DBSQLRDXBSDBIL-IBGZPJMESA-N 352.425 2.816 0 50 FFAA COc1ccc(-c2cccc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)c2)cn1 426398948 AQIDPLQNBRCYFI-OALUTQOASA-N 369.465 2.595 0 50 FFAA Cc1cc(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n(C)n1 91469044 OMJZMSSRGSAOQC-HXUWFJFHSA-N 355.438 2.942 0 50 FFAA C[C@@H](NC(=O)c1cccc(OCCN)c1)c1cnn(-c2ccccc2F)c1 426528083 SXGPSAJGZXBESM-CQSZACIVSA-N 368.412 2.840 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)c(C)o1 91966003 LGFFDGSXFYKNGW-JKSUJKDBSA-N 371.437 2.764 0 50 FFAA NCc1nnc(SC[C@H]2CCOC2)n1-c1cccc(C(F)(F)F)c1 426388615 YQZUDBULOAXGOT-JTQLQIEISA-N 358.389 2.873 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)C1 91492902 JKWVBYWFAPNQJL-INIZCTEOSA-N 355.438 2.777 0 50 FFAA Cc1cc(N2CCC(NC[C@H]3CCCO3)CC2)nc(-c2ccccc2O)n1 95524116 GMLKJFCUBCWOGC-QGZVFWFLSA-N 368.481 2.895 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 96179721 KNTIVCLOVKBUIY-SFHVURJKSA-N 368.481 2.774 0 50 FFAA Cc1nc(C)n(CCCNC(=O)COc2ccc(Cl)cc2Cl)n1 91586426 ZOERDCTVSXYMFY-UHFFFAOYSA-N 357.241 2.787 0 50 FFAA Cc1c(NC(=O)NCCCN2CCN(C)CC2)cccc1-n1cccc1 95521314 CPJMJGIFDDPLMZ-UHFFFAOYSA-N 355.486 2.545 0 50 FFAA Cc1nc(Cn2ccc(=O)c3ccccc32)n(-c2ccc3c(c2)OCCO3)n1 96165309 XGMDDXNXWQFTNU-UHFFFAOYSA-N 374.400 2.710 0 50 FFAA CCN1CCN(Cc2cc(-c3cccs3)ccc2OCC(=O)O)CC1=O 97425486 CMACARJDCDBINO-UHFFFAOYSA-N 374.462 2.543 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cs1 244874644 XEVLCISIEZSUBW-KZNAEPCWSA-N 357.475 2.992 0 50 FFAA O=C(O)[C@@H](C(=O)NC1CCN(Cc2cccc(O)c2)CC1)C1CCCCC1 252489064 JEFQHRLCKXELHH-LJQANCHMSA-N 374.481 2.754 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 299752976 WHAYBHGUFMSGMM-MFKMUULPSA-N 361.316 2.644 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)NCc1csc(-c2cnccn2)n1 534654275 GKQVYPREWQMSEB-UHFFFAOYSA-N 370.438 2.807 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)C(C)C)C[C@@H]1N(C(=O)c1ccc(C)cc1)CC2 534655032 HMFJZEIQWCTEMG-LVCYWYKZSA-N 358.482 2.919 0 50 FFAA CN1c2ccsc2C(O)=C(C(=O)Nc2ccc(F)cc2)S1(=O)=O 100326307 FWDTVDKARXJLEZ-UHFFFAOYSA-N 354.384 2.532 0 50 FFAA CC(C)[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1cccc(CO)c1 828827614 QFQLHEUHMPUCIH-LJQANCHMSA-N 364.449 2.875 0 50 FFAA Cc1cccc([C@@H](NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C2CC2)n1 827917485 OLLVXDMXKXCOLB-IBGZPJMESA-N 370.497 2.885 0 50 FFAA COc1ccccc1CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccco2)C1 584902561 DYCYTTYRWZTQQQ-MRXNPFEDSA-N 371.437 2.734 0 50 FFAA Cc1cccc([C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)N(C)C)c1 952978406 LVKIRESCYRCORR-INIZCTEOSA-N 352.398 2.542 0 50 FFAA O=C(NCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565510974 UDMJXUOTXFWNKE-AEFFLSMTSA-N 356.495 2.949 0 50 FFAA CCN1CCN(Cc2ccc(NC(=O)c3ccc(N(C)C)cn3)cc2)CC1 170595769 LXUCUQQLBLZWFF-UHFFFAOYSA-N 367.497 2.537 0 50 FFAA COc1cccc(Cl)c1CNC(=O)CC1(N2CCOCC2)CCCC1 191881210 VEQIONRYHSKNSP-UHFFFAOYSA-N 366.889 3.000 0 50 FFAA COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc3c(c2)CCO3)CC1=O 192829603 NLJWNRCVULVVQX-OAHLLOKOSA-N 366.417 2.930 0 50 FFAA Cc1noc2ncnc(NC[C@H](c3ccc(F)cc3)N3CCOCC3)c12 193381172 ARPIVSGFDJQWIY-OAHLLOKOSA-N 357.389 2.551 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 194517543 CQBCDJZENZGBHA-UCSXMVFBSA-N 357.372 2.891 0 50 FFAA Cc1nc(N2CCC[C@H](CC(N)=O)CC2)c2cnn(-c3ccccc3)c2n1 794002819 GOTPCTDZAXDAOE-HNNXBMFYSA-N 364.453 2.606 0 50 FFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C 1506430129 XMNMZRJRFUDAKG-UHFFFAOYSA-N 373.482 2.514 0 50 FFAA CCN(C)CCN(C)c1noc(-c2ccc(F)c(OC)c2)c1C(=O)O 1704340183 PHMIDTJWFKIXBI-UHFFFAOYSA-N 351.378 2.575 0 50 FFAA CC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704343208 VBIGJMYTEQCVNN-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA CC(C)C(NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)C(C)C 5017653 DSYKJBHWIKIIJA-UHFFFAOYSA-N 360.907 2.903 0 50 FFAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)c(C)cc3C)CC2)O1 12035891 QFDGPZUHBXGEDU-FQEVSTJZSA-N 374.525 2.888 0 50 FFAA CCOC(=O)C1(CCOC)CCN(Cc2ccc3nsnc3c2)CC1 12056885 NJARZOVMTHASNV-UHFFFAOYSA-N 363.483 2.873 0 50 FFAA O=C(C1CCOCC1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12386054 AHMGJCYKEVUCNG-JOCHJYFZSA-N 356.510 2.970 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N(Cc1ccncc1)C[C@@H]1CCCO1 12432964 UDHSONWLHFKPCK-SFHVURJKSA-N 369.469 3.000 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)CCc2c(C)n[nH]c2C)CCC1=O 14993114 NEZCEEQKOCWJOC-UHFFFAOYSA-N 368.481 2.529 0 50 FFAA COc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 15066673 NRVCPDDLYMREEI-GOSISDBHSA-N 371.525 2.650 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15077732 RQTSVZVZMXGZGT-QGZVFWFLSA-N 360.816 2.939 0 50 FFAA COc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1OC 16605894 NMOJHPHIVUQZPG-UHFFFAOYSA-N 354.450 2.704 0 50 FFAA O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccccn1 169754054 ZYRWBOWKMWXLFP-HNNXBMFYSA-N 351.385 2.620 0 50 FFAA CCCCOc1c(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cccc1OC 1857669050 XOISQGQHMHQKJG-OXJNMPFZSA-N 363.454 2.797 0 50 FFAA COc1ccc(-c2nc(CNC(=O)Cc3csc(C)n3)c(C)o2)cc1O 1857688568 QPYMFVVIHQTJBN-UHFFFAOYSA-N 373.434 2.988 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)C)O2 1857708349 PHAZPUFMQWXLJE-SJLPKXTDSA-N 364.486 2.781 0 50 FFAA COc1cc(CCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)ccc1C 1857730839 ZJNJZJHVVVCERT-JZJXAQOMSA-N 372.509 2.504 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccncc1Cl 1857733373 HZUIGVIVTFEBAQ-RVKKMQEKSA-N 357.841 2.679 0 50 FFAA CCCCCc1nc([C@H]2CN(C)CCO2)n(-c2cnc3ccccc3n2)n1 1857736150 NGOQYQPEIFSJGY-QGZVFWFLSA-N 366.469 2.946 0 50 FFAA O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cnn(CC(F)(F)F)c1 252571717 YLGWYIPWFVDYFG-UHFFFAOYSA-N 352.316 2.590 0 50 FFAA Cc1ccc([C@@H](CNc2nc(O)c3ccccc3n2)N2CCOCC2)o1 264661866 RCKGUWOZMDFQMH-MRXNPFEDSA-N 354.410 2.722 0 50 FFAA Cc1ccc(C2CCN(C(=O)c3ccc(Cn4ccnn4)o3)CC2)cn1 935336672 ZESKKNNYMJJQSX-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA Cc1ncc(CNC(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)o1 854911011 KGSPWKZPNPNNFQ-FXAWDEMLSA-N 369.421 2.648 0 50 FFAA C=CC(=O)N(C)CC(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 859010785 JLGGBMDSHJZLSB-UHFFFAOYSA-N 364.445 2.939 0 50 FFAA CCC[C@H](NC(C)C)C(=O)N1CCc2nnc(-c3ccncc3)cc2C1 952893247 HCHWBFJUECCMQE-SFHVURJKSA-N 353.470 2.590 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 1875266681 GQFVESWMWVHKPX-HZNSOOQKSA-N 365.861 2.978 0 50 FFAA CN(C)c1ccc(NC(=O)Cc2cccc(OCC3CC3)c2)c(C(N)=O)c1 1875294173 CGPOPYHWBJVYKD-UHFFFAOYSA-N 367.449 2.822 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(F)c(Cl)c(C(=O)OC)c2)CC1 1875367049 RDRCWQBTCBNXNX-UHFFFAOYSA-N 368.792 2.629 0 50 FFAA O=C(CCCc1ccccc1Cl)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875401187 SQEYHOFJWHKXNJ-BMGDILEWSA-N 361.873 2.815 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)CCC2 888102459 GCLYFIWTMWRGLA-QYZOEREBSA-N 374.510 2.681 0 50 FFAA CC[C@@H](C)n1cnc(S(=O)(=O)Nc2ccc(N(CC)CC)nc2)c1 2325739480 PPWWQBHVNNHMBV-CYBMUJFWSA-N 351.476 2.896 0 50 FFAA Cc1c(C(=O)NCc2n[nH]c3c2CCCC3)cnn1-c1ccccc1F 2325757441 NSBMWCNZYAAMQJ-UHFFFAOYSA-N 353.401 2.852 0 50 FFAA COCC12COC(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)(C1)C2 2325823584 YBRAKALRWZORQN-UHFFFAOYSA-N 365.336 2.808 0 50 FFAA CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCCS2)C1)c1ncc(Cl)cn1 2325841295 NIGNVZBVLCBVAX-JSGCOSHPSA-N 354.907 2.700 0 50 FFAA CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 647776 FHAZSAVNVZDUAO-UHFFFAOYSA-N 365.407 2.681 0 50 FFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C 665813 WPMSXDXXOPNQNP-UHFFFAOYSA-N 365.407 2.600 0 50 FFAA CCCCn1c(=O)c(C(=O)Nc2ncccc2O)c(O)c2ccccc21 2267755 OMVOXANSURAWNS-UHFFFAOYSA-N 353.378 2.860 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1cccc(CC(F)(F)F)c1 2356150822 AUOMVVCMQBSBLK-GOSISDBHSA-N 370.415 2.741 0 50 FFAA Cc1ccc2c(C(=O)N3CCC[C@@]4(CCc5cnc(C)nc54)C3)cnn2c1 2356157477 MQPJBPNOAQLXKU-OAQYLSRUSA-N 361.449 2.861 0 50 FFAA CSc1nsc(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 4502722 AHKFZNBBMZVFPM-UHFFFAOYSA-N 354.482 2.949 0 50 FFAA COc1ccccc1NC(=O)CNC(=O)c1ccc(Br)cc1 4833216 VFANYDFCLJESPJ-UHFFFAOYSA-N 363.211 2.826 0 50 FFAA CCn1cc(CNC(=O)c2ccccc2I)c(C)n1 680077 ZZASZPRIDPKGCF-UHFFFAOYSA-N 369.206 2.746 0 50 FFAA CN(C[C@@H]1CCCO1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 109401443 YCAOJZHVXRIMKX-AWEZNQCLSA-N 364.833 2.753 0 50 FFAA COc1cccc(C(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1OC 101266379 QKOBNPCDVPWMNC-YESZJQIVSA-N 356.466 2.674 0 50 FFAA CCCCc1nc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c[nH]1 22851547 VJSWFARTAAKVIU-HXUWFJFHSA-N 371.529 2.525 0 50 FFAA CCc1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)[nH]c2ccccc12 67855802 RAWAXFHQZQSLTQ-UHFFFAOYSA-N 354.498 2.582 0 50 FFAA CCN(CC)C(=O)C1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)CC1 67974155 QLNZGSGUXBVNRF-UHFFFAOYSA-N 355.482 2.917 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)c1 21719698 XAAZNCGKAFSSOK-ZDUSSCGKSA-N 352.412 2.526 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)c2cnnn2-c2ccccc2)n1 65371997 KGGVLPJOHCKQCP-CQSZACIVSA-N 352.398 2.751 0 50 FFAA CC(C)(C)NC(=O)CNC(=O)c1csc2nc(-c3cccc(F)c3)cn12 67514494 RFWSJKOWMYKMGH-UHFFFAOYSA-N 374.441 2.846 0 50 FFAA Cc1cc(C)cc(OCn2ccc(C(=O)NCc3cn(C)nc3C)n2)c1 2798882 HELCURMIDGWTKF-UHFFFAOYSA-N 353.426 2.508 0 50 FFAA CCn1ncc(S(=O)(=O)Nc2cnn(Cc3cccc(C)c3)c2)c1C 2804659 YMPQXCQWTHIYRF-UHFFFAOYSA-N 359.455 2.565 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncc(Br)cn2)cn1 328615081 AQMIMQPFWFIOJL-YPMHNXCESA-N 365.235 2.728 0 50 FFAA O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCC[C@H]1c1nc(C2CC2)no1 215308114 YVKDXMWYKZSSGQ-HNNXBMFYSA-N 368.368 2.905 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N(CCCO)Cc1cccnc1 215929287 PHGOPTZVCACBDX-UHFFFAOYSA-N 358.829 2.716 0 50 FFAA Cc1cccc2nc(CCNC(=O)c3cn(CCc4ccccc4)nn3)[nH]c12 11935488 RCXCIBYTYUOXQP-UHFFFAOYSA-N 374.448 2.678 0 50 FFAA CCC(=O)Nc1ccccc1C(=O)C(=O)N1CCC2(CCOCC2)CC1 71759410 SDVOXZGAAKEZEE-UHFFFAOYSA-N 358.438 2.637 0 50 FFAA COCCCS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)cc1 122303173 YTDNWMUEHLWHSK-ROUUACIJSA-N 374.462 2.634 0 50 FFAA N=C(O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3C[C@]34CCOC4)cc2)C1 329633279 WOOVPWXGABDQHV-SYNHAJSKSA-N 357.454 2.799 0 50 FFAA C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C[C@@H](C)N1 153936683 IDKGHAHPUUMVKF-FEUHHVOASA-N 351.450 2.883 0 50 FFAA CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(-n2ccnc2)nc1 363373941 GHDNNZZBZPSXHY-UHFFFAOYSA-N 353.401 2.791 0 50 FFAA Cc1ccc(-c2nc(CN3CC(n4cc([C@@H](C)O)nn4)C3)cs2)cc1 374823126 VLAAUSZLQUEDLA-CYBMUJFWSA-N 355.467 2.820 0 50 FFAA O[C@H](COc1ccccc1CNC1CCCC1)CN1CCSCC1 12703388 OSYSVHMSHUJOLJ-SFHVURJKSA-N 350.528 2.507 0 50 FFAA Cc1nnc(CN2CCC3(CC2)CN(C[C@@H](C)c2ccccc2)C(=O)O3)o1 77504784 XJJWJXGLNNLOHB-OAHLLOKOSA-N 370.453 2.969 0 50 FFAA O=C(NCc1cnn2ccccc12)N[C@@H]1CCN(c2ccccc2F)C1 368063671 LVCPCLDWKDFYRY-OAHLLOKOSA-N 353.401 2.552 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 71712283 UWHKVYIJRODBPF-UHFFFAOYSA-N 357.316 2.507 0 50 FFAA Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)c3cc[nH]n3)CC2=O)cc1 77407600 INHJZCMLMNIJPU-IBGZPJMESA-N 374.444 2.818 0 50 FFAA CCN(C[C@H](O)COc1ccccc1)C(=O)c1c(C)nc2ccc(C)cn12 216448116 REWJHUCSXNLDGS-KRWDZBQOSA-N 367.449 2.853 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Cc1ccc2c(c1)OCO2 77428846 FWPDMVMRLSDRTH-KRWDZBQOSA-N 352.434 2.943 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1Cc2ccccc2S1 216489162 ZEJXGLWLLNIAHY-GOSISDBHSA-N 359.495 2.729 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc(N2CCCC2=O)c1 237070792 OOTYNVDCLXAADN-UHFFFAOYSA-N 352.390 2.784 0 50 FFAA CCC1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCN(C(=O)c2ccccc2)CC1 378586984 ZKZIMMAKAMEPAA-MOPGFXCFSA-N 372.509 2.986 0 50 FFAA C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(CN)cc2)CC1 237437160 WOYYLDCMPQNLBF-CQSZACIVSA-N 359.420 2.943 0 50 FFAA Cc1cnccc1N1CCCN(Cc2ccc(O[C@@H](C)C(=O)O)cc2)CC1 77375951 SORKNUWCAKBBEH-KRWDZBQOSA-N 369.465 2.954 0 50 FFAA Cc1n[nH]c([C@@H]2CN(C(=O)c3csc(-c4ccccc4F)n3)CCO2)n1 173550202 BYTBLDBNPTWGLX-AWEZNQCLSA-N 373.413 2.589 0 50 FFAA C[C@@H](C(=O)N1CCOc2ccc(Cl)cc21)n1nnc(-c2ccccc2)n1 174019010 NHCJAYSVJNIJOV-LBPRGKRZSA-N 369.812 2.980 0 50 FFAA Cc1nc(CN2CCN(C(=O)CCCOc3ccccc3)CC2)cs1 42359769 FEOXKFZGPRLSSW-UHFFFAOYSA-N 359.495 2.955 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)c2ccc3nccn3c2)C1)c1ccccc1 176830242 MWHWJTJZVQCTEI-INIZCTEOSA-N 362.433 2.617 0 50 FFAA Cc1cc2occ(CC(=O)N3CCN(c4nc[nH]n4)CC3)c2c(C)c1Cl 426521441 NMNRWAOLFISQAP-UHFFFAOYSA-N 373.844 2.712 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1onc2c1CCCC2 426440247 GWLFSQQCYFIRPC-QZTJIDSGSA-N 356.422 2.658 0 50 FFAA O=C([C@@H]1CCCN1C(=O)Cc1ccc(O)c(Cl)c1)N1CCCCC1 426409181 VYOCNEILWGFDRY-HNNXBMFYSA-N 350.846 2.592 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2cnccn2)cc1 426518293 IPLSQQYKQDSRAV-OAHLLOKOSA-N 364.449 2.665 0 50 FFAA CCN(CC(F)(F)F)C(=O)c1ccc(-c2c(C)nc(O)nc2O)cc1 426433653 MFFLWXNKIADMFU-UHFFFAOYSA-N 355.316 2.888 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 95360340 WVEPYDJQMQQOIK-SFHVURJKSA-N 368.868 2.932 0 50 FFAA CC[C@H](NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccnn1C 96164766 MBGRBEXZUHECHH-KRWDZBQOSA-N 369.469 2.858 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2ccc(O)cc2)CC1 91551943 HIOFZGLSHMYSGC-UHFFFAOYSA-N 356.470 2.770 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cnc(-c2cccnc2)nc1)C1CC1 95386636 FQKJPSXQDOHYFB-UHFFFAOYSA-N 362.437 2.694 0 50 FFAA O=C(C1CCCCC1)N1CCC[C@H]1c1nc(-c2ccncc2)nn1CCO 96148450 WMRHROUEGIJDMQ-KRWDZBQOSA-N 369.469 2.576 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 95362056 ADEZZOYKKZKUTE-LJQANCHMSA-N 358.413 2.906 0 50 FFAA CN(C)C[C@H]1C[C@H](CO)CN(Cc2cccc(OCc3ccccn3)c2)C1 91713559 DZUHTDKRNQVIBR-UXHICEINSA-N 369.509 2.653 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(C)c(C)c1)CC2 91907479 OZCSMWVZYVBNQW-UHFFFAOYSA-N 372.509 2.724 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1C 244883986 YDDQMIUEQFLYNF-FVJLSDCUSA-N 369.465 2.522 0 50 FFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNc1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244678610 IGSIDDAIIIFBNT-KLPPZKSPSA-N 372.423 2.986 0 50 FFAA CCc1cc(O)nc(CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 181302070 AQYYASLFCMKFFK-HNNXBMFYSA-N 364.453 2.909 0 50 FFAA CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)c1ccc(N2CCOCC2)nc1 183943232 OKCJMJGIBZDXAB-WMZOPIPTSA-N 361.486 2.866 0 50 FFAA O=C(COc1ncnc2ccccc12)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252538478 NBVIOXQEWRQWQO-JCGVRSQUSA-N 369.446 2.699 0 50 FFAA COc1ccc(C)cc1NC(=O)CCN1CCN(C2CCCCC2)C(=O)C1 252486478 HLRZFLMRTNHQDL-UHFFFAOYSA-N 373.497 2.809 0 50 FFAA O=C1NC[C@H](NCc2ccc(F)cc2F)n2nc(-c3ccc(F)cc3)cc21 263619159 XGNPMPXACNUCSN-GOSISDBHSA-N 372.350 2.999 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 299746272 WGLAKHHJBKONIC-ZENOOKHLSA-N 352.228 2.876 0 50 FFAA O=C(CCc1nc2ccc(F)cc2[nH]1)Nc1ccc(Oc2nn[nH]n2)cc1 828054211 WHXNKVYQPDGJEC-UHFFFAOYSA-N 367.344 2.579 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCn2nc([C@H](C)O)cc2C1 827974965 OTOOGDMOWDVOBR-HNNXBMFYSA-N 352.438 2.632 0 50 FFAA Cc1nnnn1CCC(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 822416788 RMDAIXFEVJAZKO-LBPRGKRZSA-N 362.865 2.900 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C3CCOCC3)C2)c(C)c1 823128424 NUQJXKHVACHFQN-QGZVFWFLSA-N 373.497 2.574 0 50 FFAA C[C@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1CN 1342739192 IIEAMCCOJKYWSC-GXTWGEPZSA-N 373.478 2.525 0 50 FFAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1ccccc1-c1nc[nH]n1 952967547 BRJRGWHSGHKBCB-HNNXBMFYSA-N 362.437 2.513 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)s1 1565514610 SMWUPUPHQZUULK-CABCVRRESA-N 355.463 2.828 0 50 FFAA Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@]2(C)CCCC[C@@H]2O)c1 170651960 IMOIPIBBUSACHP-KXBFYZLASA-N 374.510 2.600 0 50 FFAA O=C1CNC(=O)N1CCCNc1nc(-c2ccccc2)c2ccccc2n1 170623171 OQPNNVCVHDKMPZ-UHFFFAOYSA-N 361.405 2.651 0 50 FFAA CCOc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1615734153 AVBBDDYISSENDC-FPOVZHCZSA-N 366.461 2.983 0 50 FFAA COc1ccc(NC2(C(=O)N3CCC(CNC(C)=O)CC3)CCCC2)cc1 1506405892 OJOQKYWUMOGKLH-UHFFFAOYSA-N 373.497 2.795 0 50 FFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(CSc3nc[nH]n3)o2)s1 1529134016 KZJVDAMIRZSGET-ZETCQYMHSA-N 366.428 2.501 0 50 FFAA CC1=C(CN2C[C@H]3CN(Cc4noc(C)n4)C[C@]3(CO)C2)C(C)(C)CCC1 1772809092 LYADVRJLIARKOX-UWJYYQICSA-N 374.529 2.631 0 50 FFAA O=C(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 5630792 MLZBMGZTJKJXEB-UHFFFAOYSA-N 362.426 2.540 0 50 FFAA COc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 11690183 SBQOTNSJHSMNCV-UHFFFAOYSA-N 356.357 2.984 0 50 FFAA CCc1ocnc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12025636 ZGAOARJWDKIYPJ-INIZCTEOSA-N 363.417 2.921 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)c1cn(Cc2cccc3ccccc23)nn1 12757942 UOPNCJDLBKFLOC-MRXNPFEDSA-N 374.448 2.885 0 50 FFAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)cc1 13522040 ZGXQFVSVIIXYOA-INIZCTEOSA-N 354.435 2.522 0 50 FFAA O=C(/C=C\c1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 17282161 OYSIKABTKLFMDM-AFNCTOJWSA-N 363.672 2.845 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778307 XTBKPKDMSPSDAA-HNNXBMFYSA-N 373.416 2.875 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668869 LEMLZMAOKLWQOO-PGRDOPGGSA-N 367.445 2.737 0 50 FFAA CC(C)c1ccc(-n2cc(CN3C[C@@H]4CCOC[C@]4(CO)C3)cn2)cc1 1857668884 WICKGDCBQOQPOA-PZJWPPBQSA-N 355.482 2.827 0 50 FFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@@H]3CNC[C@@H](C3)[C@@H]2CCCC(=O)N1 1857707606 FXXJHMQOTWXROX-LFDJNIOPSA-N 363.546 2.554 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@]23CC[C@H]1O3)c1ccco1 1857738124 RUZKHBAVPSYTQO-XKGFGPFHSA-N 370.424 2.828 0 50 FFAA CC(C)(C)[C@H]1CN(c2nc(=N)nc3[nH][nH]cc2-3)C[C@@H](c2ccccc2)O1 1875242825 DGBWJRQZLWZCIT-LSDHHAIUSA-N 352.442 2.710 0 50 FFAA CCCOc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1OCC 111085637 WTYJBACIKCKODF-QGZVFWFLSA-N 373.453 2.612 0 50 FFAA O=C1C[C@]2(CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CN1 333163270 OBVDTLXXDNIAEW-FCHUYYIVSA-N 369.509 2.636 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 237966767 CSQMKJGELXYALD-SNVBAGLBSA-N 371.233 2.650 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)s1 247814613 CBIZMZRVLATTPS-CABCVRRESA-N 373.478 2.925 0 50 FFAA CCn1c(SCCC(=O)N2C[C@H]3CCN(C)[C@H]3C2)nc2ccccc21 248120758 JZMAAGLPJLLHPU-PBHICJAKSA-N 358.511 2.701 0 50 FFAA O=C(COc1cc(Cl)cc(Cl)c1)N1CCCN(C(=O)C2CC2)CC1 158346111 XHZUFHKWGFXPPM-UHFFFAOYSA-N 371.264 2.843 0 50 FFAA COC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 264009639 FLTKMGOIPISCED-UHFFFAOYSA-N 355.394 2.533 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(Nc2cccc(C(=O)O)c2)CC1 911599318 JPOLIPLCDWVFDM-GFCCVEGCSA-N 370.453 2.931 0 50 FFAA Cc1ccccc1CCc1cc(=NC(=O)C2CCC(C(=O)O)CC2)[nH][nH]1 1875267238 FJLVJGBSOJBDPF-UHFFFAOYSA-N 355.438 2.755 0 50 FFAA C=CC(=O)NCC[C@H]1[C@H](C)CCCN1C(=O)c1ncnc2c(C)csc12 1875386111 JECFRFOXJJBWCD-OCCSQVGLSA-N 372.494 2.933 0 50 FFAA CN1C(=O)CC[C@H](CNCc2ccc3occc3c2)[C@H]1c1nccn1C 886080478 ZKHXCMPMOIWNAN-APWZRJJASA-N 352.438 2.866 0 50 FFAA CN(C(=O)Cc1cc[nH]c1)C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 2325823600 ZCDPLTVXOSADHD-HXUWFJFHSA-N 365.477 2.737 0 50 FFAA C[C@H](C(=O)NCCc1cccn1C)n1cc(-c2ccc3[nH]ccc3c2)nn1 2325872430 XOZUXAHVVVOFFE-CQSZACIVSA-N 362.437 2.685 0 50 FFAA CC(C)CCC[C@H](NC(=O)Cc1csc(NC(=O)C(C)C)n1)C(=O)O 2325876489 XJITWMKEXLNRJX-ZDUSSCGKSA-N 369.487 2.676 0 50 FFAA O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 868912096 UOPWYIFXOPMERO-BQKIWYRUSA-N 364.392 2.517 0 50 FFAA CCOC(=O)C[C@@H]1CSc2nc3sc4c(c3c(=O)n21)CCCC4 703646 PIMQEQLKTWIWMS-SECBINFHSA-N 350.465 2.937 0 50 FFAA COc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc(OC)c1OC 789924 YNHFMAQMLBBGRH-UHFFFAOYSA-N 363.317 2.835 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 1058306 ZIKQWQAIQBSQOU-UHFFFAOYSA-N 360.366 2.985 0 50 FFAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccs1 1835936 OZVMXGUEYINDCN-CQSZACIVSA-N 366.464 2.588 0 50 FFAA Cc1cccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2660062 WTFIYXLEVBLQIS-UHFFFAOYSA-N 351.406 2.810 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356162056 VQUKHZMPFZUMBP-LJQANCHMSA-N 362.495 2.612 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2cccc(F)c2)NC(=S)N1 4807042 ZAGZEYVSIOREQK-KRWDZBQOSA-N 355.438 2.935 0 50 FFAA COc1cccc(NC(=O)CSCc2cc(=O)n3ccsc3n2)c1 7144986 OWANCQZOPUQABU-UHFFFAOYSA-N 361.448 2.637 0 50 FFAA O=C(Cc1noc(C2=NO[C@H](c3ccccc3)C2)n1)NC1CCCCC1 109432605 NHDWFVSFAYXLBW-INIZCTEOSA-N 354.410 2.927 0 50 FFAA Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8682395 MVPCNOUXPUVTFY-HNNXBMFYSA-N 367.902 2.668 0 50 FFAA O=C(CN1CC[C@@H](n2cncn2)C1)Nc1ccc(Oc2ccccc2)cc1 225417274 HGIXRAYLALQBTE-QGZVFWFLSA-N 363.421 2.956 0 50 FFAA O=C(CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1)NCc1cccnc1 225501706 BMQOCLAAMPOLNG-HNNXBMFYSA-N 368.412 2.858 0 50 FFAA CCCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 9340920 LIVJVJRVGHCOSV-UHFFFAOYSA-N 358.467 2.982 0 50 FFAA O=C(c1ccc(Cn2cccn2)o1)N1CCN(c2ccc(Cl)cn2)CC1 69406245 GRXJADOPELVSQW-UHFFFAOYSA-N 371.828 2.535 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 23337560 ZHHSQTNLHMUBHI-LJQANCHMSA-N 370.541 2.817 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccccc3F)[C@@H](CCO)C2)CC1 23360387 XRTCKJAOZAPAGH-FQEVSTJZSA-N 363.521 2.567 0 50 FFAA Cc1nn2cc(CCNC(=O)Nc3nc(C4CCCCC4)n[nH]3)nc2s1 23478114 GOBZFTPCNUJDSH-UHFFFAOYSA-N 374.474 2.629 0 50 FFAA OCC1CCN([C@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CC1 22892767 JHODOHAATQFPRE-QHCPKHFHSA-N 371.569 2.820 0 50 FFAA C[C@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)NC(=O)c1ccccc1 248115375 IJKUOAMMHWESON-XLIONFOSSA-N 365.477 2.710 0 50 FFAA Cn1cc(CN(CCO)C(=O)c2cccc(-c3cccc(F)c3)c2)cn1 65465172 NVPGEEXZWWAABY-UHFFFAOYSA-N 353.397 2.861 0 50 FFAA O=C(CCn1cccn1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280012406 MUWPTDVWYIREOH-SWLSCSKDSA-N 353.344 2.627 0 50 FFAA C[C@@H](c1nnc(SCC(=O)O)n1-c1ccccc1Cl)n1ccnc1 67713468 PBTUGBMYAPSUCQ-JTQLQIEISA-N 363.830 2.903 0 50 FFAA O=C(c1ccccc1NCc1noc2c1CCCC2)N1CCC[C@@H]1CO 120280135 ZNUSXYAXWYANEX-CQSZACIVSA-N 355.438 2.762 0 50 FFAA CCOC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccccc2)c1=O 600817 JMLOKZZQNYIHNU-UHFFFAOYSA-N 358.781 2.981 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1I 2759844 LIZWLNAKXOVBFQ-SECBINFHSA-N 367.190 2.616 0 50 FFAA O=C(O)CCCCCC[C@H]1C(=O)NC(=O)N1CC[C@H](O)C1CCCCC1 3779983 ZIDQIOZJEJFMOH-HOTGVXAUSA-N 368.474 2.663 0 50 FFAA biogenic,in-vitro CC(C)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71422490 GBJPLGXPBGUTKO-FQEVSTJZSA-N 372.557 2.872 0 50 FFAA O=C(NCc1csc(-c2ccco2)n1)N[C@@H]1c2ccccc2C[C@@H]1O 121423885 ANACZGUEHNGNTG-GOEBONIOSA-N 355.419 2.861 0 50 FFAA CNc1cc(N2CCC[C@@H]2CN[C@H]2CCCc3ccc(O)cc32)ncn1 329736451 LLXWWJJKXZEGBO-QAPCUYQASA-N 353.470 2.860 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)N3CCC(c4nc(=O)[nH][nH]4)CC3)n2)cc1F 252495191 ONBOAAQYZZNZHF-LLVKDONJSA-N 372.404 2.536 0 50 FFAA COC(=O)c1c(NC(=S)NC[C@@H]2CCCO2)sc2c1CCCC2 6735048 WYAPKRDCHJDEAA-JTQLQIEISA-N 354.497 2.879 0 50 FFAA CN1C[C@@]2(CCCN(Cc3cccc4c3OC(F)(F)O4)CC2)OC1=O 72157911 NFAUVFNBRIMVPK-INIZCTEOSA-N 354.353 2.815 0 50 FFAA C[C@@H](C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1)c1cccs1 328641839 YCEOIOZLYULZLZ-GDBMZVCRSA-N 372.494 2.842 0 50 FFAA CC[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)C(F)(F)F 331028913 XGOSXOKDSWJEPR-POYBYMJQSA-N 351.799 2.690 0 50 FFAA Cn1cc(-c2ccccc2CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1 361229550 WEMDNGXFLHBHKC-UXHICEINSA-N 362.433 2.545 0 50 FFAA c1coc([C@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)N2CCCC2)c1 72418562 LXLRXFHIWUPHNQ-SFHVURJKSA-N 366.469 2.670 0 50 FFAA CCn1c(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2)nc2ccccc21 215128039 OGHIQRYCBIFIRL-IBGZPJMESA-N 352.413 2.868 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H]2c2cc(C)no2)c(=O)c2ccc(C)nc21 219480322 PJTIFLPBPRXXNF-MRXNPFEDSA-N 366.421 2.999 0 50 FFAA COc1ccccc1C1(CNC(=O)N2CC[C@H](n3cncn3)C2)CCCC1 363770624 BOPPCKNWJMTAJB-INIZCTEOSA-N 369.469 2.755 0 50 FFAA Cc1cc(O)nc2cc(C(=O)NCc3ccnc(-n4cccn4)c3)ccc12 367973918 OHEDUQYPHHHRDG-UHFFFAOYSA-N 359.389 2.760 0 50 FFAA COCc1noc(CCNC(=O)c2cc(C)nc3c(C)c(C)ccc23)n1 77424457 CTTSDMKWEAMVFO-UHFFFAOYSA-N 354.410 2.662 0 50 FFAA C[C@H](O)c1cccc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1 72433477 FRLMAZIOHYVIIE-AWEZNQCLSA-N 372.469 2.709 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3cc(C(C)(C)C)[nH]n3)C2)CCC1=O 77489020 KSHMRMPWRHBXIL-HXUWFJFHSA-N 362.518 2.558 0 50 FFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)ccc2nsnc12 218485531 FZHVCOYSCMZTAN-JTQLQIEISA-N 360.391 2.806 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)c1cccc(-n2cccn2)c1 77516741 KVQJUGHPSVMIEV-UHFFFAOYSA-N 351.410 2.885 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[nH]1 72163837 GQBWOPUXPGFKEX-ZDUSSCGKSA-N 355.467 2.910 0 50 FFAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccc2[nH]c3c(c2c1)CCCC3 71750651 FDUYBFFRDWGITP-CQSZACIVSA-N 358.463 2.611 0 50 FFAA CCOc1ncccc1C(=O)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 48337811 IQNHRSDVAMHCHV-CQSZACIVSA-N 355.442 2.502 0 50 FFAA C/C=C/CN1CCCn2nc(CN3CCC[C@@H](Cn4ccnc4)C3)cc2C1 229722285 WHVVAHVHIQNPBU-LSTKMXGYSA-N 368.529 2.774 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@H](Cn3cc(C4CCCC4)nn3)C2)cn1 48175428 AKWADZIKHLWHER-HNNXBMFYSA-N 354.458 2.587 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@H]2CC(=O)O)cc1 263077053 YUDWEWHUJJKVQR-INIZCTEOSA-N 372.421 2.879 0 50 FFAA CCCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 40456084 BMODWWQRWREBPD-UHFFFAOYSA-N 361.461 2.513 0 50 FFAA CC(C)N1CCC(CNC(=O)N(CCO)Cc2ccccc2Cl)CC1 426707286 VVAPBOLXPDALHT-UHFFFAOYSA-N 367.921 2.964 0 50 FFAA CC(=O)N1CCCn2nc(CNc3nc(C)nc4sccc34)cc2C1 85479380 SNSZIMZCDBDXJM-UHFFFAOYSA-N 356.455 2.561 0 50 FFAA Cc1ccc2nc(COCC(=O)N3CCC(c4ncc[nH]4)CC3)[nH]c2c1 97572197 UOFNZNOKMFYLMA-UHFFFAOYSA-N 353.426 2.517 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c[nH]c3ccccc13)C2 91664580 MREOEJUVFLYMJX-MAUKXSAKSA-N 365.477 2.960 0 50 FFAA Cc1ccc(CCNC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)cc1 426689309 SKGTUARETWWARC-QGZVFWFLSA-N 354.454 2.576 0 50 FFAA O=C(NC1CCCCC1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91460023 TWTGHXFQJMTAMY-HXUWFJFHSA-N 363.502 2.522 0 50 FFAA CC(C)C[C@H](O)c1nc(Cn2cncn2)nn1Cc1ccc(Cl)cc1 96166021 XIRNOHKHCFINAG-HNNXBMFYSA-N 360.849 2.699 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)s1 91664639 XPTRGZFYIXEDJY-LSDHHAIUSA-N 370.478 2.532 0 50 FFAA Cc1sc2ccccc2c1CN1C[C@@H](CN2CCOCC2)[C@@H](CO)C1 91848016 BZQWLHNRFVZPRG-IAGOWNOFSA-N 360.523 2.582 0 50 FFAA COCC[C@]1(O)CCN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H]1C 91417047 DZWWRPBTXYVYEN-FOIQADDNSA-N 374.506 2.984 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1C)CC2 91441536 HBSVHUNCBSIYEM-UHFFFAOYSA-N 359.470 2.878 0 50 FFAA O=C(NCc1cnn2cccnc12)Nc1ccnn1C[C@@H]1CC=CCC1 96151619 AVIMFTOJDNBHLH-CQSZACIVSA-N 351.414 2.604 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)O)cc1 239046425 FQZKXWBUGCXTRW-YHPRMOQLSA-N 355.390 2.571 0 50 FFAA Cc1[nH]c(=O)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)c1C 97099379 LKOYZJIUPPCPFJ-UHFFFAOYSA-N 371.456 2.834 0 50 FFAA CC(=O)c1cc(CN2CCC(N3CCC[C@H](C(=O)O)C3)CC2)cs1 97087969 PDFUDFPAIRBTKR-HNNXBMFYSA-N 350.484 2.712 0 50 FFAA Cc1ccc([C@@H](CNC2CCN(c3cc(C)nc(N)n3)CC2)N(C)C)cc1 95379654 OPBIJFRGRMADHR-LJQANCHMSA-N 368.529 2.537 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)COc1ccc(Cl)cc1Cl 91651409 RXDUKUKPQDNTSR-UHFFFAOYSA-N 362.253 2.620 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)c3scc4c3OCCO4)C2)c1 95383891 CIKHBBQMMGCMPA-ZDUSSCGKSA-N 373.430 2.922 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)C1 534666164 PMJDITZGQSNKLN-OAHLLOKOSA-N 354.454 2.708 0 50 FFAA Cc1ccc([C@@H](NC(=O)N2CCC(C(N)=O)CC2)c2cccnc2)cc1C 534648406 YMXTZUYUQYXIMD-LJQANCHMSA-N 366.465 2.695 0 50 FFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1nc(-c3ccc(C)cc3)no1)C2 534636990 QEHVNMPTAVWASP-QLPKVWCKSA-N 356.426 2.611 0 50 FFAA O=C(Cn1ccnc1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 39371936 QWIVTZJQKFYQSO-FQEVSTJZSA-N 356.445 2.537 0 50 FFAA CN(CCCn1cccn1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299789671 ZXVNJVLQTYSELV-ZCNNSNEGSA-N 352.482 2.957 0 50 FFAA CCCn1cnnc1CNC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 823031296 KSVBWMUDOBDIAJ-CYBMUJFWSA-N 363.421 2.506 0 50 FFAA CC(C)CCOc1cccc(CCNC(=O)N2CCC(=O)NC[C@@H]2C)c1 584895705 BFIUFPUCFCXDEE-INIZCTEOSA-N 361.486 2.574 0 50 FFAA C[C@@H]1CNc2c(C(=O)Nc3ccc(OCc4nccn4C)cc3)cnn2C1 1347352325 BKVQLPIYUGPZRZ-CYBMUJFWSA-N 366.425 2.510 0 50 FFAA COc1cccc(F)c1C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952974308 TYPMJUIPWZODOQ-SFHVURJKSA-N 352.369 2.740 0 50 FFAA C[C@@H](O)CCN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 268150978 KUAVKABCFLOSPF-AEFFLSMTSA-N 368.477 2.921 0 50 FFAA O=C(CCc1nc(C2CCCC2)no1)N1CC[C@H](OCc2ccncc2)C1 268552671 NPWMTWSTFWOJKT-KRWDZBQOSA-N 370.453 2.873 0 50 FFAA O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccn[nH]2)CN1c1ccc(Cl)cc1 278644815 ODOROOOTANHARL-LRDDRELGSA-N 358.829 2.780 0 50 FFAA COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2cn3cccnc3n2)cc1 761712585 IIZHBJIAHKFHTN-QUCCMNQESA-N 352.438 2.610 0 50 FFAA O=C(NC1CCCCC1)N1CCC(NC2CSCCSC2)CC1 1506414150 MFLUIMYDGDRZIR-UHFFFAOYSA-N 357.589 2.931 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCCN(c2ccccn2)C1 1506402477 YYLBFFUNOHWSGP-AWEZNQCLSA-N 367.428 2.972 0 50 FFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1c[nH]nc1C1CCCCC1 1704344556 SMZCUQFOYHPFGX-AEFFLSMTSA-N 354.454 2.840 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CC12CCOCC2 1800416030 LGFCFGDINAZCGH-HNNXBMFYSA-N 351.830 2.612 0 50 FFAA COc1ccc(OC)c2c(C)cc(N3CCN(C4CCOCC4)CC3)nc12 1704331937 VMNRAOMLVUHVGH-UHFFFAOYSA-N 371.481 2.861 0 50 FFAA Cc1cccc(S(=O)(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)c1 1704308741 JEZUZUUHMHFBIJ-IBGZPJMESA-N 357.479 2.762 0 50 FFAA O=C(O)CN1C[C@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772813942 BWQHDYSTMDJMEV-YLJYHZDGSA-N 371.506 2.594 0 50 FFAA COc1ccc2c(C)cc(N3CC[C@H](O)[C@@](CC4CC4)(C(=O)O)C3)nc2c1 1772707736 VOWTUJRPGIQQIP-RXVVDRJESA-N 370.449 2.994 0 50 FFAA Cc1cncc(N2CCCN(C(=O)CCCc3ccc(F)cc3)CC2)n1 1772811123 SEIVIGGQYZEGPH-UHFFFAOYSA-N 356.445 2.986 0 50 FFAA Cc1ccccc1CN1CCC2(CC[C@H](CNC(=O)[C@H]3CCOC3)O2)CC1 12149002 ILEFZXXTNNKXEL-VQTJNVASSA-N 372.509 2.661 0 50 FFAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ncccn2)CC1 16605139 DUVLLAFEENBSRI-GOSISDBHSA-N 354.454 2.600 0 50 FFAA O=c1[nH]c(N2CCOCC2)nc2nccc(-c3cccc4ccccc34)c12 16647587 UWCMSRSOBIPUBG-UHFFFAOYSA-N 358.401 2.975 0 50 FFAA NC(=O)c1ccc(COc2ccc(I)cc2)cc1 16813958 JXBDPGSFYYLEIX-UHFFFAOYSA-N 353.159 2.969 0 50 FFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccccc1F 1857687593 ZZNUSDNLTGZRCE-CQSZACIVSA-N 374.441 2.851 0 50 FFAA COc1ccccc1Cc1nc([C@@H]2C[C@@H]3CC[C@H]2O3)n(-c2cnn(C)c2)n1 1857721628 YSHNPPZNMDMIQA-LZLYRXPVSA-N 365.437 2.635 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3cc4c(cc3OC)OCO4)C[C@H]12 1857731346 PXEFYYAKBZLDJB-XASIKMQRSA-N 373.449 2.857 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857733191 ZACFOLJXAXBVBN-TWOQFEAHSA-N 373.472 2.772 0 50 FFAA COc1ccc(CC[C@@H](C)N[C@H]2CCCN(c3nccnc3O)C2)cc1 328628871 HRYBCKQYUAPHBD-WBVHZDCISA-N 356.470 2.771 0 50 FFAA NC(=O)c1ccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 127832820 PVMCMZXSWJSHEB-UHFFFAOYSA-N 350.378 2.559 0 50 FFAA Cn1ncc(Cl)c1S(=O)(=O)N1CCSC[C@@H]1c1ccccc1 373781617 IMNFEDRAUZFOBF-CYBMUJFWSA-N 357.888 2.552 0 50 FFAA CC(C)n1ncc2cc(C(=O)NC[C@H](C(=O)O)c3ccccc3)cnc21 262463360 IRDUIMFTALBYPR-INIZCTEOSA-N 352.394 2.610 0 50 FFAA COc1cccc2c(C(=O)N[C@@](C)(CO)Cc3ccc(Cl)cc3)cnn12 913740127 NYKYSXRFLIJRJT-LJQANCHMSA-N 373.840 2.720 0 50 FFAA Cn1c(CC(=O)N2CCC[C@]23CCC[S@](=N)(=O)C3)cc2ccccc21 1875396074 VADBJZBJIPNOEE-CLOONOSVSA-N 359.495 2.923 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)cc1 1875373593 HIVAVKNAQBNMJN-KRWDZBQOSA-N 350.418 2.828 0 50 FFAA CCC[C@H](C)C(=O)NC[C@@]12CC[C@@](Nc3ncncc3Cl)(CO1)C2 1875338793 MAMVIFJJHLQVJE-ZLIFDBKOSA-N 352.866 2.786 0 50 FFAA CCc1n[nH]c(CC)c1CC(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 1875300923 WCEIUWYPEVCRBA-MRXNPFEDSA-N 369.387 2.946 0 50 FFAA O=C(c1ccc(-n2cccc2)nc1)N1Cc2ncccc2N2CCC[C@H]2C1 890623992 IEISUPFAEJHEAF-KRWDZBQOSA-N 359.433 2.892 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@@H](COc2ccccc2F)C1 2100556156 FTKXZCDPLPNBMQ-CQSZACIVSA-N 354.385 2.800 0 50 FFAA Cc1cc(C)c2cc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)[nH]c2c1 2325785722 KSFWOVQZDSWWQJ-LSBZLQRGSA-N 352.438 2.551 0 50 FFAA CC(C)(C(=O)N1Cc2ccnn2C[C@H](CO)C1)c1ccc2ccccc2c1 2325803580 PKCVETKRUFOHSI-MRXNPFEDSA-N 363.461 2.965 0 50 FFAA CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1CC[C@@H]2COCC[C@H]2C1 2325827003 ROIYOAMMJLCVMM-NNXHMXCWSA-N 368.543 2.646 0 50 FFAA CN(C[C@H]1CCN(C(=O)[C@@H]2CCCCS2)C1)c1ncc(Cl)cn1 2325841296 NIGNVZBVLCBVAX-OCCSQVGLSA-N 354.907 2.700 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N(C[C@H]1CCCO1)c1ccnnc1 953049736 BDNUGWFAEGNBHA-GOSISDBHSA-N 363.421 2.797 0 50 FFAA COc1ccc(CCN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1OC 857131 WANPCKSMTMJOON-QGZVFWFLSA-N 353.418 2.864 0 50 FFAA biogenic Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 983202 MBWOKHWGDXZVFT-CYBMUJFWSA-N 366.870 2.632 0 50 FFAA CCOCCN1C(=O)[C@]2(CCN(C3CCSCC3)C2)c2ccccc21 2356147123 IYAHXABCSORYPX-FQEVSTJZSA-N 360.523 2.909 0 50 FFAA COc1ccc(C)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708472 UYTBYEGXFZIBFX-UHFFFAOYSA-N 360.435 2.931 0 50 FFAA CC[C@H](Cn1cncn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 225408405 COUQVRDYGHLTCT-ZIAGYGMSSA-N 369.391 2.824 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1C 225834402 QAXKKXYUUNBNEQ-LJQANCHMSA-N 372.490 2.696 0 50 FFAA C[C@H](C(=O)NCc1csc(N)n1)N1C(=O)c2cccc3cccc1c23 55225446 OZFAIXDFWVPWSX-SNVBAGLBSA-N 352.419 2.544 0 50 FFAA O=C(Nc1ccccc1C(=O)n1cnc2ccccc21)c1ccc[nH]c1=O 55343424 VVELREMRTWINPO-UHFFFAOYSA-N 358.357 2.665 0 50 FFAA COCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3ccccc3)nc21 20605698 WABYKQKIVITLIV-UHFFFAOYSA-N 371.418 2.554 0 50 FFAA Cc1ccc(C2(O)CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)nc1 67446893 SLWQLBNZGGSXOS-UHFFFAOYSA-N 364.442 2.510 0 50 FFAA CC(C)n1c([C@@H](C)NC(=O)c2ccc(C(N)=O)cn2)nc2ccccc21 135774060 RYTUHHXWMYWOOI-GFCCVEGCSA-N 351.410 2.602 0 50 FFAA O=C(c1ccc2nn[nH]c2c1)N1CCC2(CC1)OCCc1ccsc12 542778822 PXIDGYNTVWDNOA-UHFFFAOYSA-N 354.435 2.724 0 50 FFAA Cc1nc(CC(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)cs1 328649376 VBRNYHWAPIUPIZ-HNNXBMFYSA-N 373.526 2.948 0 50 FFAA COC(=O)c1ccc(-c2nc3c([nH]2)C[C@@H](c2ccccc2)CNC3=O)cc1 65460356 OALHUVXCAHFKJL-MRXNPFEDSA-N 361.401 2.933 0 50 FFAA Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 12074531 QBMMWZQDIXZTKJ-MRXNPFEDSA-N 365.481 2.852 0 50 FFAA Cc1cccc2nc(N3CCC(CNC(=O)c4cnn(C)c4)CC3)sc12 280750838 PONGNPLDGSNGOJ-UHFFFAOYSA-N 369.494 2.985 0 50 FFAA C[C@@H](NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1)C1CC1 72426654 QXTXIYYUPYEKAD-LLVKDONJSA-N 370.840 2.882 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cnc(C)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72149703 ZCHJBWOFPYKNNR-HMXCVIKNSA-N 362.477 2.796 0 50 FFAA Cc1nc(N2CCC[C@H](OCc3ccccn3)C2)c2c(C)nn(C)c2n1 72479747 HQBGEDPZYSZTLN-INIZCTEOSA-N 352.442 2.561 0 50 FFAA CN1c2ccccc2C(O)=C(C(=O)Nc2ccc(Cl)cc2)S1(=O)=O 6002620 PFZUWXMAFYYNNC-UHFFFAOYSA-N 364.810 2.985 0 50 FFAA CC[C@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1nc(C)cs1 363568598 DEZIFKOMMVDXQX-AWEZNQCLSA-N 356.455 2.983 0 50 FFAA c1ccc(CN2CC[C@H](n3ccnc3-c3cc4n(n3)CCCNC4)C2)cc1 72430730 LMEURUXRQCCDKG-SFHVURJKSA-N 362.481 2.687 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 331596365 LFEULDHSQITEHM-CMPLNLGQSA-N 356.216 2.561 0 50 FFAA O=C(O)CC[C@]1(CCC(=O)N2CCC(c3ccccc3)CC2)CCC(=O)N1 218457519 QQNDSDYEZAZFEV-OAQYLSRUSA-N 372.465 2.686 0 50 FFAA Cc1sc2nc(CN3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)nc(O)c2c1C 372834116 BBFNEOWNVQNJSR-AVGNSLFASA-N 360.483 2.632 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)c1 72428414 BXHQTZWZOURHIA-GOSISDBHSA-N 361.482 2.848 0 50 FFAA Cc1[nH]c(=O)c(C(=O)N2CCC([C@H](O)CC(C)C)CC2)c(C)c1Cl 77437603 GVINMMIEHIABQW-CQSZACIVSA-N 354.878 2.904 0 50 FFAA O=C(CCn1cnc2ccccc21)NC[C@H](c1ccco1)N1CCCC1 72853747 MNTNQQGPNALHNK-GOSISDBHSA-N 352.438 2.973 0 50 FFAA Cn1nccc1[C@H]1C[C@@H](NC(=O)N2CCCc3ccccc3CC2)CCO1 333165925 IGGMJCQJYXNLAM-AZUAARDMSA-N 368.481 2.841 0 50 FFAA Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)cc1 333809086 ZUDZMBOZNCNLOT-IAGOWNOFSA-N 354.458 2.623 0 50 FFAA CC(C)(C)c1cc(-c2nccn2-c2ccc(Oc3nnn[nH]3)cc2)[nH]n1 72134611 UUWYDTMGWIVTDN-UHFFFAOYSA-N 350.386 2.865 0 50 FFAA O=C(c1nc(O)nc2ccccc12)N1CCC[C@H](OCc2ccccn2)C1 426477868 HBFJBBKLORZZKK-HNNXBMFYSA-N 364.405 2.552 0 50 FFAA O=C(Nc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1)C1CC1 290767237 RBAYXBFYBPYWHZ-MRXNPFEDSA-N 358.829 2.972 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CC[C@]4(OC)CC[C@H](O)C[C@H]34)oc2c1 426388106 BUPPJGDQYVHEDC-QKMWGZLOSA-N 359.422 2.894 0 50 FFAA COc1ncnc(OC)c1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 178635182 KXQIWZLJBQZTIY-UHFFFAOYSA-N 368.220 2.999 0 50 FFAA C[C@H]1CCC[C@@H](C)N1CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91915075 LHDAVQCSMNVTSJ-IHETXDGRSA-N 362.445 2.715 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1c(C)[nH]c3c1C(=O)CCC3)C2 95364137 DGTOPNDLKNSPGG-CYBMUJFWSA-N 368.433 2.832 0 50 FFAA Cc1ccccc1CNC(=O)CN1CCC2(CC1)CC(=O)N(CC(C)C)C2 91746071 PENYMIAVANYLJY-UHFFFAOYSA-N 371.525 2.582 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)CCc2scnc2C)CC1 95528131 WMIHOERUSRHHSE-UHFFFAOYSA-N 362.499 2.633 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91320669 AWXUNNCBPCCSNG-UHFFFAOYSA-N 358.486 2.794 0 50 FFAA CC(=O)NC[C@H]1CCC2(CCN(c3nc(C)nc4ccsc34)CC2)O1 91551090 GZOARFUZIPTKRO-CQSZACIVSA-N 360.483 2.654 0 50 FFAA COc1cccc(-c2noc(CCCc3nc([C@H]4CCOC4)no3)n2)c1 96136606 KKMNHKSUQWFHTK-ZDUSSCGKSA-N 356.382 2.807 0 50 FFAA COc1cc(F)c(CSc2nnc(C3CCNCC3)n2C)cc1OC 426491551 QBZQHFBBKIZYIQ-UHFFFAOYSA-N 366.462 2.731 0 50 FFAA CN1CCC[C@H](CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)C1 95499679 SRVIIULHILQHOS-QGZVFWFLSA-N 358.482 2.753 0 50 FFAA CC[C@@H](NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1ccnn1C 95382195 ONRUULFBODWRLN-LJQANCHMSA-N 369.513 2.508 0 50 FFAA O=C1CC2(CCN(C[C@@H]3CCOC3)CC2)CN1CCCc1ccccc1 91860785 JAVGHSUYGWBSCV-FQEVSTJZSA-N 356.510 2.970 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 238019369 GFSLSLIVINFQFP-HUUCEWRRSA-N 361.344 2.848 0 50 FFAA O=C(NCCCn1nccc1C1CC1)c1ccc(-c2ccccc2)[nH]c1=O 92078308 LDJKQGWMRIRNAK-UHFFFAOYSA-N 362.433 2.936 0 50 FFAA COc1cccn(CC(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)c1=O 95504401 FAVJIRFDZXCIIK-NRFANRHFSA-N 354.450 2.683 0 50 FFAA CN1CCC[C@H](C(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)C1 243893336 APYWBJYQVZJFOO-WMLDXEAASA-N 369.440 2.649 0 50 FFAA CNc1cc([C@H]2C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2)ncn1 244724295 MRJCVCCEZMOYAN-CTYIDZIISA-N 371.510 2.720 0 50 FFAA CCn1c(CN2CC=C(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@H](N)C1 244872869 WFTNULCTCPZZQB-SAABIXHNSA-N 355.461 2.931 0 50 FFAA CCc1n[nH]cc1C(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244794782 QTJNJXBUYMMKBW-OHNRDTAOSA-N 350.422 2.762 0 50 FFAA CCC1(O)CCN(C(=O)C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 299226890 JAIAJFJZFHTEQR-UHFFFAOYSA-N 373.497 2.769 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)CC1(n2cccc2)CCOCC1 253404566 HWXFRFGJKWVNJY-UHFFFAOYSA-N 371.437 2.990 0 50 FFAA Cc1ccc([S@](=O)OCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 252427858 IPHVIYJSBBURBD-DAOMAXFVSA-N 367.854 2.552 0 50 FFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(C(=O)O)cc4)c(=O)n1c23 299738126 ACVGAHCBQGAXSM-SNVBAGLBSA-N 364.357 2.775 0 50 FFAA O=C(c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1)c1cc[nH]c1 299743831 MOBIBDNUXOMZHR-IBGZPJMESA-N 374.396 2.897 0 50 FFAA O=C(c1ccccc1NCc1ccccn1)N1CCC[C@]2(CCNC2)C1 67674658 BGEXZHIMNMFCEF-OAQYLSRUSA-N 350.466 2.909 0 50 FFAA O=C(NCC1(CN2CCOCC2)CC1)c1cccc(-c2nccs2)c1 299760401 GHJLYEZWORQXHG-UHFFFAOYSA-N 357.479 2.652 0 50 FFAA COc1ccccc1CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1 299779823 OEFDZMJCMSHQTA-UHFFFAOYSA-N 364.489 2.939 0 50 FFAA CN1CCC(CNC(=O)c2ccc(N(C)C)nc2)(c2ccccc2)CC1 299760867 RULXBHRPQBDDFD-UHFFFAOYSA-N 352.482 2.541 0 50 FFAA O=C(C[C@H]1NC(=O)c2ccccc21)NC1CCN(Cc2cccs2)CC1 827811612 QYBRAZBCQHLUAE-GOSISDBHSA-N 369.490 2.704 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)no1 1565526226 KCVWFJVWWCQVPY-OCCSQVGLSA-N 374.466 2.518 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@@H]1O 1565525367 OFMJUPMCMWQPRS-KSSFIOAISA-N 368.458 2.889 0 50 FFAA CC(=O)NC1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 301402216 JHXDYVBPRWKUEP-UHFFFAOYSA-N 365.359 2.662 0 50 FFAA O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCO[C@]2(CCOC2)C1 185381305 YFWVDMDFKXHBRZ-QGZVFWFLSA-N 362.817 2.549 0 50 FFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 275620011 JBWSDVWGGRGVBH-IBGZPJMESA-N 358.482 2.505 0 50 FFAA COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2ccc(C)cc2=O)c1 170615409 SNYOAMBRJYUWME-QGZVFWFLSA-N 356.422 2.538 0 50 FFAA O=C1C[C@H](c2ccccc2)N(C(=O)c2cc3c(s2)CCOC3)CCN1 170870152 VEKQXNWVFUVIKF-OAHLLOKOSA-N 356.447 2.524 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cnn2ccncc12 189109394 QFEZRGHOIQHIPN-CYBMUJFWSA-N 355.829 2.782 0 50 FFAA CN1CCC(=O)Nc2cc(C(=O)N[C@@H]3CCCc4c(O)cccc43)ccc21 190255628 BMZCXAQDSQEBTB-MRXNPFEDSA-N 365.433 2.978 0 50 FFAA CN[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 194737429 QRQCBDOBHGVDPB-SNVBAGLBSA-N 356.797 2.731 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1noc(-c2ccccc2)n1 1506406626 FEYOCZPZOOGMAP-UHFFFAOYSA-N 365.437 2.630 0 50 FFAA CCc1nccc(CN2CCCN(C(=O)c3ccccc3CC)CC2)n1 1800408763 FMZWNXQRDVKYON-UHFFFAOYSA-N 352.482 2.950 0 50 FFAA COc1c(F)cccc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704309263 MBTVJFUKAYYSES-WIYYLYMNSA-N 373.424 2.715 0 50 FFAA CSCCC(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 11814026 QUJXCVVZBJGFER-CQSZACIVSA-N 363.870 2.970 0 50 FFAA COc1ccccc1CCN1CCC(CN(C)C(=O)c2cc(C)[nH]n2)CC1 12305280 GNAMAKASMSZMMR-UHFFFAOYSA-N 370.497 2.753 0 50 FFAA C[C@H](Cc1cnccn1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 12306027 MKWPIGKRQKTFBE-CQSZACIVSA-N 360.421 2.564 0 50 FFAA COc1cccc(C[C@H]2CN(C(=O)c3ccccc3N(C)C)CCO2)c1 12443309 YMZVSARYSAZQFI-SFHVURJKSA-N 354.450 2.845 0 50 FFAA O=C(c1ncoc1C1CC1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 12591035 OFHJAKXYNRQDSY-HXUWFJFHSA-N 357.454 2.807 0 50 FFAA O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCc2ccccc2C1 16652324 OZAQUURWZCKLQH-UHFFFAOYSA-N 370.474 2.670 0 50 FFAA COc1cnc(C)cc1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1857682772 RTOLAFUSJLHQLF-ZDUSSCGKSA-N 359.813 2.587 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@H]3NC(=O)c2ccc(F)c(C)c2)no1 1857684775 CSYGEXLHPJVVHS-JLVBRIDZSA-N 371.412 2.711 0 50 FFAA CC(C)n1cccc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328622633 IOLNNCSVWPEHGD-GOSISDBHSA-N 369.469 2.673 0 50 FFAA Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@H]3C(=O)O)CC2)cc1 237703068 CEWXGAUKRHOLHH-IBGZPJMESA-N 358.482 2.715 0 50 FFAA CCc1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cs1 253606501 PTPAYVQXTYSXTC-DOMZBBRYSA-N 362.524 2.785 0 50 FFAA Cn1cc(CNc2ccc(C(=O)NCC3CCN(C4CC4)CC3)cc2)cn1 907782590 JRMHOVVNVBTKDY-UHFFFAOYSA-N 367.497 2.636 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)C[C@@H]2CCCOC2)(c2ccccc2)CC1 847468644 BHTWUQRIAAFHJA-SFHVURJKSA-N 370.493 2.618 0 50 FFAA Cc1cccc(CS(=O)(=O)NC(=O)C[C@H]2COCc3ccccc32)c1 1875294429 RRNHRKOCYPVROM-KRWDZBQOSA-N 359.447 2.645 0 50 FFAA CCO[C@H](C)c1nc(-c2cccc(-c3n[nH]c(C)n3)c2)n(CCOC)n1 1875331133 QITUNUGWYZYOBT-GFCCVEGCSA-N 356.430 2.783 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1c(F)cccc1N1CCCC1 1875399912 MAAGHQWIVVBWFZ-QKYXUNIQSA-N 358.461 2.552 0 50 FFAA Cc1cn(C)cc1C(=O)NC[C@@H]1CC2(CCC2)CN1C(=O)C1CC(C)C1 1875408382 UYEAWRIPWXHHEP-PREGVCBESA-N 357.498 2.881 0 50 FFAA Cn1cc([C@@H]2OCCC[C@H]2CNc2ncc(Br)cn2)cn1 886093756 GMBMOBDTAAIFPL-GXFFZTMASA-N 352.236 2.552 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)CS1(=O)=O 888101654 MIZHDWZYROCLND-QPSCCSFWSA-N 368.474 2.727 0 50 FFAA COc1ccc(CN(C(C)=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100062804 XXQVTAIOGNYGHK-SFHVURJKSA-N 370.380 2.515 0 50 FFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c[nH]1 404348714 IEOOCAGJTRMMAJ-GVDBMIGSSA-N 353.466 2.807 0 50 FFAA Cc1cnn(C2CCN(C(=O)CN3C(=O)CCCc4ccccc43)CC2)c1 2325727855 AICOPBYHFGVXIG-UHFFFAOYSA-N 366.465 2.725 0 50 FFAA Brc1cnc2nc(N3CCN(c4ccncn4)CC3)ccc2c1 2325789200 DKPFHIZADMZWPO-UHFFFAOYSA-N 371.242 2.509 0 50 FFAA Cc1cc(=NC(=O)c2ccc3c(c2)NC(=O)CCC3)c(OC2CC2)c[nH]1 2325792808 NTANJPKXLXPZTA-UHFFFAOYSA-N 351.406 2.880 0 50 FFAA Cc1cn2c(CNC(=O)c3cc(F)cc4c3CCNC4)c(C)nc2s1 2325796107 UEKDONATHDKYPV-UHFFFAOYSA-N 358.442 2.727 0 50 FFAA O=C(O)[C@@]1(C(=O)NCc2nc3c(s2)CCCC3)C[C@H]1c1ccccc1 907564277 CBNVDYKYDHXDAX-DJJJIMSYSA-N 356.447 2.897 0 50 FFAA CCN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 1078760 FVSRLKATLGWMIL-UHFFFAOYSA-N 360.479 2.863 0 50 FFAA Cc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c(C)c1 1152582 LYIRLVPMVQQVAM-UHFFFAOYSA-N 352.500 2.908 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCc2nc(-c3ccccc3)nn2CC1 2356166350 UNLSZUUMJGZTAU-UHFFFAOYSA-N 371.828 2.604 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O 4694759 OMFPAHZCABIUGV-FPYGCLRLSA-N 362.226 2.720 0 50 FFAA C[C@H](C(=O)Nc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 6698065 LUXKQQFKSSCGTH-LLVKDONJSA-N 353.831 2.528 0 50 FFAA Cc1ccc(CN2C[C@H](C(=O)NCc3cc(C(C)C)on3)CC2=O)cc1 55413253 KJQSZSDKERVZCT-MRXNPFEDSA-N 355.438 2.771 0 50 FFAA CCSc1nc(CC(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cs1 55392953 KFYKDMJVWXNFJS-GFCCVEGCSA-N 367.540 2.705 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccccc3F)C2=O)s1 55361105 HCWBLLSXLVDDKZ-LJQANCHMSA-N 362.470 2.839 0 50 FFAA COCCCn1cnnc1[C@H](C)NCc1cnc(-c2cccc(C)c2)nc1 63884645 GQYLDFINWDXYPX-INIZCTEOSA-N 366.469 2.931 0 50 FFAA O=C(c1ccc(N2CC(O)C2)nc1)N1CCC[C@@H](c2ccccc2)CC1 67726469 DEYIYJRFVNQHNF-QGZVFWFLSA-N 351.450 2.672 0 50 FFAA Cc1cc2ccccc2n1CCN(C)C(=O)c1nc2ccccc2c(=O)[nH]1 20586427 ZEPSMGFRMPUEOL-UHFFFAOYSA-N 360.417 2.958 0 50 FFAA CCNC(=O)c1c(NC(=O)c2ccc3[nH]nnc3c2)sc2c1CCCC2 67725013 JFXJDRZWNAJYNA-UHFFFAOYSA-N 369.450 2.900 0 50 FFAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 249860191 QDQZNPUOHFUUHI-UVLXDEKHSA-N 354.372 2.921 0 50 FFAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1c(O)cccc1O 67847860 MUWOKXQUYLBTJT-UHFFFAOYSA-N 355.394 2.524 0 50 FFAA Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCn5ncnc5C4)ccc32)c1 473021864 NGNUXYMEQLWNSA-UHFFFAOYSA-N 372.432 2.890 0 50 FFAA Cc1cnc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)s1 252494463 NWLXYJNEDFGCKZ-LBPRGKRZSA-N 355.460 2.710 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2[nH]cnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72162345 BWERBBKEWSVAAU-IOMROCGXSA-N 352.482 2.789 0 50 FFAA O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCS(=O)CC1 171659350 IHMSQMPDRYHNJM-UHFFFAOYSA-N 352.459 2.894 0 50 FFAA C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 229428738 LCHXPRGVEGQBNL-BQFCYCMXSA-N 369.465 2.567 0 50 FFAA CCCc1nc(N[C@@H](C)c2nc(-c3ccccn3)no2)c2cnn(C)c2n1 72122291 JDTGYCADXASLRP-NSHDSACASA-N 364.413 2.934 0 50 FFAA CN1C(=O)C[C@@H](CNCc2cc(Cl)ccc2F)[C@@H]1c1cnn(C)c1 328631682 RHKWRMXPAHCVLF-YVEFUNNKSA-N 350.825 2.522 0 50 FFAA Cn1ccnc(N2CCC[C@@H](NCc3cnc(C4CCCC4)s3)C2)c1=O 328642565 RCSHKGBYDUYFEI-OAHLLOKOSA-N 373.526 2.653 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)C1(c2cccc(F)c2)CCC1 152391547 KHHSCIAVZLCCPT-UHFFFAOYSA-N 360.458 2.821 0 50 FFAA COc1ccc(Cc2noc([C@H]3OCC[C@H]3Cn3ccnc3)n2)cc1OC 328641471 XXMPMZUKPXCWAU-KSSFIOAISA-N 370.409 2.652 0 50 FFAA CC(C)c1cc(NCC2(N3CCN(C)CC3)CCCC2)n2nccc2n1 72434402 GUQSCSKPUJLYDV-UHFFFAOYSA-N 356.518 2.825 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(C)nn3CC)C2)CCC1=O 77469830 PNQIBNXNRWWYSI-HXUWFJFHSA-N 360.502 2.856 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nc2ccc(F)cc2[nH]1 216534810 JHXFWYRUNCHGTB-OAHLLOKOSA-N 370.432 2.715 0 50 FFAA O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1COc2ccccc2C1 333049620 KZDSNDZVIOZYKK-KURKYZTESA-N 356.466 2.535 0 50 FFAA O=C(N1CCCC[C@@H]1c1nnc(C2CCC2)o1)C(F)(F)C1(O)CCC1 378140393 SOTZHHILSBHHBO-GFCCVEGCSA-N 355.385 2.941 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cccc(C(=O)N(C)C)c1)C[C@H](C)O2 172719626 LQIWTGCJXWRPCH-ZDUSSCGKSA-N 354.406 2.825 0 50 FFAA CCc1cc(N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)n2nccc2n1 72473393 YUXKCXSIPLZTJG-UHFFFAOYSA-N 360.421 2.686 0 50 FFAA CN(C)Cc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)oc2ccccc12 130926717 OSHMUMPTJISCDI-MJGOQNOKSA-N 350.418 2.883 0 50 FFAA Cc1noc([C@H]2CN(C(=O)[C@@H](C)c3ccc(Cl)s3)CCN2C)n1 284517498 COJNQTVTTLEKRT-GXSJLCMTSA-N 354.863 2.712 0 50 FFAA Fc1cc(CNc2ncnc3c(F)cccc23)cnc1N1CCOCC1 240278300 DQFROJIJMXBUJK-UHFFFAOYSA-N 357.364 2.752 0 50 FFAA CCCn1c(=O)n(CCC(=O)Nc2ccc(CN)cc2)c2ccccc21 131504102 GHYQPWGZUGJNSD-UHFFFAOYSA-N 352.438 2.701 0 50 FFAA O=C(CCCc1cc(F)ccc1F)NC[C@@H](C(=O)O)C1CCOCC1 455863292 DGMOYEJOVHFCMQ-OAHLLOKOSA-N 355.381 2.531 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc([C@@H]2CCOC2)nc(N)n1 426550348 CPSOQRSJEWWCPY-CYBMUJFWSA-N 368.416 2.728 0 50 FFAA Cn1ncc2cc(-c3cccc(C(=O)N4CCC[C@@H](C(N)=O)C4)c3)ccc21 426428203 CNNIQMUYAKUQHJ-QGZVFWFLSA-N 362.433 2.578 0 50 FFAA Cc1ccc(N2CCN(C(=O)CC[C@H](C)N3CCCCC3)CC2=O)cc1 82107838 VYVAEDSGWFTKPX-SFHVURJKSA-N 357.498 2.825 0 50 FFAA O=C(CCc1ccco1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48140016 MNAUQLQWEGCYCR-UHFFFAOYSA-N 365.389 2.916 0 50 FFAA Cc1ccc2c(c1)C[C@@H](C(=O)NCCc1csc(-c3ncccn3)n1)N2 222955410 ZJLKWDXZKNVBPC-INIZCTEOSA-N 365.462 2.604 0 50 FFAA CC(C)[C@@H](CC(=O)O)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426535418 HPCKBIMOTDFYIN-AHKGRUIUSA-N 359.470 2.526 0 50 FFAA COc1ccc(NC(=O)N[C@@H](c2cccc(C)n2)C2CC2)cc1C(N)=O 426614986 BDZDOQMGBRDSGO-QGZVFWFLSA-N 354.410 2.770 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3cccc4cnccc34)C2)n1 426574832 GSZZKOIMIIDCIT-QGZVFWFLSA-N 350.422 2.896 0 50 FFAA c1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccc(-n4ccnc4)cc2)C3)nc1 91679907 UFNGTYJONOZFLI-UYAOXDASSA-N 360.465 2.763 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91624720 MXAPNDZPZGNGQE-LEWJYISDSA-N 364.493 2.930 0 50 FFAA CNc1ccnc(N2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1 426628319 RRYZUYQPNVWNLY-HXUWFJFHSA-N 373.451 3.289 0 50 FFAA CC[C@@H](O)Cn1nc(-c2csc(C)n2)nc1Cc1cn2ccsc2n1 95530647 LKOBPGSVPDCDSU-GFCCVEGCSA-N 374.495 2.781 0 50 FFAA CCCNC(=O)c1ccc(NC(=O)NCc2cc(C)nn2C)cc1Cl 97515009 IEWGUXNNDPCRCZ-UHFFFAOYSA-N 363.849 2.843 0 50 FFAA O=C(CCn1cccn1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 95368388 DZASDLKQXCLKAX-LEWJYISDSA-N 366.509 2.829 0 50 FFAA CC[C@@H](C)S(=O)(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91586352 IBMAZMGIOVHJIG-OAHLLOKOSA-N 356.532 2.762 0 50 FFAA O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CC[C@@H](n2cccn2)C1 292856706 CFMNSRHJWWDQSN-MRXNPFEDSA-N 365.412 2.784 0 50 FFAA O=C(Nc1ccc2nncn2c1)[C@@H]1CCCCN1Cc1ccc(F)cc1 179630571 FKSOTEISMKOOKE-KRWDZBQOSA-N 353.401 2.862 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)[C@@H](c1cccnc1)N1CCCC1)CC2 95377238 ZOGTYKLJUJFNOH-OAQYLSRUSA-N 365.477 2.855 0 50 FFAA Cc1ccccc1OC1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 95361584 QQUJPRNNOCARGU-UHFFFAOYSA-N 352.365 2.879 0 50 FFAA COc1cc(C(=O)N2CCC(N3CCSCC3)CC2)c2ccccc2n1 97572325 XLOYKKNHPDLTNQ-UHFFFAOYSA-N 371.506 2.897 0 50 FFAA O=C(NCc1nnc2ccccn12)N1CC=C(c2ccccc2F)CC1 162640826 UJERQFQEEBXFIP-UHFFFAOYSA-N 351.385 2.867 0 50 FFAA CC[C@H](O)Cn1nc(-c2csc(C)n2)nc1Cc1cn2ccsc2n1 95530646 LKOBPGSVPDCDSU-LBPRGKRZSA-N 374.495 2.781 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 299382506 WVOJKUUBBCVWLX-CHWSQXEVSA-N 361.316 2.786 0 50 FFAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)c(Cl)c1Cl 245310091 HNXIKOMRPFCVQA-VHSXEESVSA-N 368.282 2.926 0 50 FFAA Cc1nc(CC2CCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)no1 244763843 OWJYDZDFBPNYOE-OAHLLOKOSA-N 356.470 2.900 0 50 FFAA CC(C)CN1C[C@H](C(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)CC1=O 252537258 KUPGAKZQFIQAIC-DNVCBOLYSA-N 370.497 2.891 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NCc1c[nH]nc1-c1cccs1 534582809 XZFACZRBDGDEDB-UHFFFAOYSA-N 358.471 2.994 0 50 FFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)c1 299756881 JPTTUXSMUPJLOW-CQSZACIVSA-N 351.410 2.899 0 50 FFAA COc1cc(C)ccc1-c1nc(CC(N)=O)nn1CCc1ccccc1 824541287 RWBNBWNXWKJTKL-UHFFFAOYSA-N 350.422 2.533 0 50 FFAA CN(C)CC[C@H](NC(=O)NC1(C(N)=O)CCCCCC1)c1ccccc1 584896554 FQEKALJRZJTECY-KRWDZBQOSA-N 360.502 2.557 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCN(c3ncccn3)CC2)CC1 952974350 ZDLBPORDFKHORE-UHFFFAOYSA-N 355.461 2.715 0 50 FFAA Cc1nc(-c2ccc(NC(=O)C(C)(C)NC(=O)c3cccs3)cc2)n[nH]1 952870144 SNGSACYBDFUTOE-UHFFFAOYSA-N 369.450 2.989 0 50 FFAA OC[C@H]1CCCN(CCNCc2cnn(-c3ccc4ccccc4c3)c2)C1 952970133 BQEYUCXRHYXJRT-SFHVURJKSA-N 364.493 2.819 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCO1 269045021 SCTIQZLWVWUCGV-GOSISDBHSA-N 361.438 2.643 0 50 FFAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 275379188 YNYPEYKTFDSIGJ-SNVBAGLBSA-N 360.266 2.731 0 50 FFAA CS[C@H](C)CNC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275536999 GLZLKHNDTKYYJU-CABCVRRESA-N 364.515 2.596 0 50 FFAA C=CC(=O)NCCC(=O)N1CCC(c2ccccc2Br)CC1 189577682 CXHBWLDEDYRNSB-UHFFFAOYSA-N 365.271 2.847 0 50 FFAA COc1ccccc1[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)OC(C)C 190335354 ZYNRJKUCQLRADI-QGZVFWFLSA-N 360.458 2.938 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@H]2N1CCCCO 219908479 IBWOTZGFMOIVCM-QUCCMNQESA-N 355.482 2.753 0 50 FFAA CC(C)c1noc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1704303030 HNQVITOORJGOGB-CRAIPNDOSA-N 352.438 2.777 0 50 FFAA CCN(C1CC1)S(=O)(=O)c1cc(C(=O)O)cc(Br)c1C 122368658 MVSLCICXHVMGCR-UHFFFAOYSA-N 362.245 2.629 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C3CSCCSC3)CC2)on1 1775982011 FZUSTDJXUJLEGP-UHFFFAOYSA-N 369.556 2.795 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc(C)nn3C)CC2)c2ccccc2n1 1772811910 BKMVOAUMSXDQOH-UHFFFAOYSA-N 363.465 2.938 0 50 FFAA CSc1nnc(CNC(=O)CCn2ccc(C)n2)n1-c1ccccc1C 11791512 QMVJMCZDSPJAKA-UHFFFAOYSA-N 370.482 2.509 0 50 FFAA CSc1ncc(CN2CCC(CO)(C[C@H]3CCCCO3)CC2)cn1 12074438 IQVVGJZHGCDIBJ-MRXNPFEDSA-N 351.516 2.732 0 50 FFAA CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccon3)no2)cc1 12387050 LHOKJDCPVAWXHJ-UHFFFAOYSA-N 355.350 2.716 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 12404207 WEBJZKOOBTYHHS-UHFFFAOYSA-N 356.422 2.697 0 50 FFAA O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2 14982698 STDSNJHINFTSKS-OALUTQOASA-N 370.493 2.543 0 50 FFAA Cc1ccccc1C(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19790460 CRUQMELHNNPHNX-CYBMUJFWSA-N 351.661 2.753 0 50 FFAA Cc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1 169768755 SBKRSVVWPNZQJX-UHFFFAOYSA-N 363.465 2.919 0 50 FFAA CC(C)Oc1cncc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1 157822450 TUACEAYEPUMCES-UHFFFAOYSA-N 373.478 2.919 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O 1857529645 XZFFSKKIFLHQGM-RCBQFDQVSA-N 367.371 2.780 0 50 FFAA C[C@H]1CN2C[C@@H](NC(=O)c3cccc(-c4ccc(O)cc4)c3)C[C@H]2CO1 1857716394 KPCASEUESVUSMJ-JVPBZIDWSA-N 352.434 2.651 0 50 FFAA O=C1CCOC2(CCN(c3nc4ccc(Cl)cc4s3)CC2)CN1 1857730873 AVWYCFDCRVJRBL-UHFFFAOYSA-N 351.859 2.825 0 50 FFAA C[C@H]1CN2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C[C@H]2CO1 1857737340 IFWMGLASAGANHG-VDGAXYAQSA-N 350.462 2.796 0 50 FFAA C[C@@H](NC(=O)CN1CCOC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 135643624 LLVKJAWWIOAMOY-QGZVFWFLSA-N 372.509 2.624 0 50 FFAA O=C1C[C@@H](Cc2ccc(C(=O)N3CCC(C4CCCC4)CC3)cc2)C(=O)N1 363574649 IREIEJWVWFZYGZ-LJQANCHMSA-N 368.477 2.934 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccn3C3CC3)C1)CC2 1704298733 CVUDOFFDDZTPKI-OAQYLSRUSA-N 365.481 2.799 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc4c3OCCO4)C1)CC2 1704300032 STRPMZKLOZSWKD-OAQYLSRUSA-N 365.433 2.676 0 50 FFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccn3C3CCCC3)C2)n1 952849173 QBUWVSWATDSATG-JJRVBVJISA-N 358.442 2.579 0 50 FFAA O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)NC12CC(C(=O)O)(C1)C2 1875277012 WGFXOFSEJMXNLT-FTXHTYHOSA-N 358.442 2.682 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)C23CC(C)(C2)OC3(C)C)c(F)c1 1875385773 BFGOTAALFYFNIP-UHFFFAOYSA-N 360.429 2.592 0 50 FFAA CCN1C(=O)C[C@@H](CNCc2cnn(CC(C)C)c2)[C@@H]1c1cccnc1 886066005 GDDMDFDBPPGJPL-ICSRJNTNSA-N 355.486 2.633 0 50 FFAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Cl)c1)C2 888095499 ZVTAUTSBKNTSEE-CBZIJGRNSA-N 354.853 2.689 0 50 FFAA C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C)[C@H]1COc2ccccc21 888101311 IMGVAZUCXDIQFQ-MEDZGJRSSA-N 358.360 2.912 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC1=NS(=O)(=O)c2ccccc21 301508069 DKUKMJYPMOQTQL-YJBOKZPZSA-N 369.490 2.636 0 50 FFAA CN(C)C(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1 645772 YVRNYSNTPKWKQF-UHFFFAOYSA-N 368.462 2.879 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)NCc1ccc(N2CCCC2=O)cc1 2100544618 BNYZKXOQMIHJPG-UHFFFAOYSA-N 353.422 2.967 0 50 FFAA CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(F)cc2)n1 1177391 UYYVUDIDRUICIP-UHFFFAOYSA-N 367.427 2.515 0 50 FFAA Cc1nn2c(c1C(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F)CCC[C@@H]2C 2325798987 MSOMVBMPQNFZCU-XXFAHNHDSA-N 363.364 2.923 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccc(Br)s2)CC1 2325884139 LNDMTDLKHYZSRD-UHFFFAOYSA-N 371.300 2.894 0 50 FFAA O=C(NCc1cccc(Br)c1)c1ncoc1C1CCNCC1 912238643 KBCYGCGNXQUTOQ-UHFFFAOYSA-N 364.243 2.834 0 50 FFAA CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(C)C)c1C 657186 CNQYZQGXBZISPE-UHFFFAOYSA-N 350.396 2.780 0 50 FFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OC)c1OCC 812661 BNCPRNGTYGBNEQ-OAHLLOKOSA-N 358.398 2.537 0 50 FFAA Cc1ccc(C)c(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1 1174676 PDMHTRRFCNJINX-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 2314898 WKOIOKCCCZYCAH-UHFFFAOYSA-N 364.858 2.627 0 50 FFAA COc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c2cccnc12 2356145939 YCNUPQWPRYODCY-ZDUSSCGKSA-N 361.405 2.524 0 50 FFAA COc1cncc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)c1 2356147361 SPEJMAZJRUMKDX-UHFFFAOYSA-N 374.462 2.914 0 50 FFAA Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(O)nc1C 2356149435 ZVVSSIVQTFBVEU-NSHDSACASA-N 361.348 2.674 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356151733 WVAIZFMUOJYCPR-UHFFFAOYSA-N 350.426 2.512 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3ccccc32)cc1 2849420 ZXKWKSANWWOYEF-UHFFFAOYSA-N 358.463 2.595 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 2881811 XYLMJOUINNHELZ-MRXNPFEDSA-N 360.479 2.774 0 50 FFAA CCOC(=O)c1n[nH]cc1CN(C)[C@@H]1CCCN(CCc2ccccc2)C1 20541069 UNFXTEPQWXYRGN-LJQANCHMSA-N 370.497 2.725 0 50 FFAA CCCC(=O)Nc1cc(C(=O)N(CCOC)Cc2cnn(C)c2)ccc1C 55369540 DDXKFAWQKCOAOY-UHFFFAOYSA-N 372.469 2.756 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2cccc(C)c2)CN1Cc1ccccc1 23361491 PQQPMZBXUOBQPM-SFTDATJTSA-N 351.494 2.864 0 50 FFAA CC(C)Cc1noc([C@@H](C)n2cc(-c3ccc4c(c3)OCCO4)nn2)n1 67850264 NLCVBWIEPDIYHM-GFCCVEGCSA-N 355.398 2.907 0 50 FFAA O=C1CCCN1C[C@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 65396099 QDDNWWHIRXFAIK-INIZCTEOSA-N 356.445 2.846 0 50 FFAA O=C1O[C@@H]2CN(Cc3c(F)cccc3F)C[C@@H]2N1CCc1ccccn1 64002468 ZVXSYBGAOOJJNZ-ZWKOTPCHSA-N 359.376 2.608 0 50 FFAA CC(C)c1ccc(CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 65362696 ADKBMBMZGJLYPC-UHFFFAOYSA-N 366.527 2.530 0 50 FFAA CSCC[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1nnc2ccccn12 126963572 OEKCCFMOXOUAMD-CQSZACIVSA-N 370.482 2.555 0 50 FFAA CCn1cc(Br)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 2781515 OBIHJYYCRZPVTH-UHFFFAOYSA-N 357.296 2.705 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)[C@H]3C(=O)O)cc2)co1 424364708 FCOSKRFRCVFBHK-BZNIZROVSA-N 364.423 2.524 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72149685 JCRNVNVMPHOSQS-FQEVSTJZSA-N 373.428 2.991 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1ccc(C(F)(F)F)nc1)C2 72423677 QOTBTXOCDXWCNB-UHFFFAOYSA-N 368.359 2.720 0 50 FFAA CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc1 72169457 RFZXEUCBUDLVPA-UHFFFAOYSA-N 351.406 2.749 0 50 FFAA O=C(c1cc[nH]n1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 72409862 SMFHIWVPOSOFOD-FUHWJXTLSA-N 356.470 2.753 0 50 FFAA CC(=O)OC/C(=C(\C(=O)O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 35942603 RPWJWEFMAVOUBY-ISLYRVAYSA-N 374.414 2.649 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 12649155 CEVDAKZMDQZIES-DLBZAZTESA-N 353.422 2.772 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Nc1ccc(F)c(F)c1 1073281449 IWEDNUDFDZZIOW-YPMHNXCESA-N 352.385 2.575 0 50 FFAA COc1cc(N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)ncn1 72169694 BAHNWFIVZOAJGL-MAODMQOUSA-N 366.465 2.560 0 50 FFAA Cc1c(C(=O)Nc2cnc(N(C)C)nc2)cnn1-c1ccc(F)cc1F 126017952 CIONQCHRZRZVLQ-UHFFFAOYSA-N 358.352 2.567 0 50 FFAA CN(C)c1nccnc1N1CCC[C@](Cc2ccccc2F)(C(=O)O)C1 71440027 GPQRKOWATJKSHD-LJQANCHMSA-N 358.417 2.596 0 50 FFAA Nc1ncccc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72150803 FQHMUXQCMZOGEP-XUVXKRRUSA-N 352.457 2.865 0 50 FFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccc(O)c2)CC1 77487289 DEUGTFBUWSTWTR-UHFFFAOYSA-N 367.405 2.925 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)C[C@H]1C=CS(=O)(=O)C1 77525268 KOECEBAKQLGTEV-LLVKDONJSA-N 368.505 2.778 0 50 FFAA CSc1ccc(CC(=O)NC[C@H](c2cccnc2)N2CCOCC2)cc1 215547573 YSFKGOAMGYGPAJ-LJQANCHMSA-N 371.506 2.536 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1nc(C2CC2)no1 72473960 KYMZKFFDQISTSV-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA COc1cccc(C2(F)CCN(C(=O)c3cnc(C4CC4)nc3N)CC2)c1 377207466 KPQBWHSEFIIAHT-UHFFFAOYSA-N 370.428 3.046 0 50 FFAA COC(=O)c1[nH]c(C)c(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1C 377978120 XGMXNOFTMFLWEA-INIZCTEOSA-N 367.449 2.695 0 50 FFAA C[C@@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 17075503 GWOIBCXFKRYXSC-CQSZACIVSA-N 367.540 2.900 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCc1ccc(N3CCCC3=O)cc1)C(=O)CCC2 223667489 CGCXGGACSFFVJL-UHFFFAOYSA-N 365.433 2.899 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)C(F)(F)F 263372126 YUBRFZGUMMCSDD-OAHLLOKOSA-N 369.343 2.697 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@@]4(CCCOC4)C3)c2)n1 285817990 FTHBMNTVUMWLAS-NRFANRHFSA-N 369.465 2.570 0 50 FFAA Cc1cc(-c2ccc(C(=O)N(C)CCN(C)C3CCCC3)cc2)nc(N)n1 426394752 WSPUAQFMKIEPHJ-UHFFFAOYSA-N 367.497 2.981 0 50 FFAA CC(C)(C)c1cc(NC(=O)CN2CC[C@](C)(O)C2)n(-c2ccccc2)n1 177982655 UNRVPIWOJQLYDA-FQEVSTJZSA-N 356.470 2.565 0 50 FFAA CC(=O)N1CCC[C@@H](c2nc(CN3C(=O)c4ccccc4C3=O)cs2)C1 178351369 HBZRMIXGNIFLSN-CYBMUJFWSA-N 369.446 2.665 0 50 FFAA COC(=O)c1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)o1 426666934 DJFDKNINJYETOR-KRWDZBQOSA-N 368.433 2.705 0 50 FFAA CCCOc1ccccc1CN1CCN(C)[C@@]2(CCC(=O)N(CC)CC2)C1 230191384 TZHKHOKBMVDZAO-JOCHJYFZSA-N 373.541 2.994 0 50 FFAA CC(=O)N1CCC(CNc2nc(C)nc3c2Cc2ccccc2OC3)CC1 96179972 BBQPWMJILHRZQN-UHFFFAOYSA-N 366.465 2.939 0 50 FFAA CSCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 91876732 HTBKXFDGODPUPC-UHFFFAOYSA-N 368.449 2.669 0 50 FFAA Cc1cccc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)n1 95376814 BVUDYKGCQCCQHI-UHFFFAOYSA-N 355.486 2.558 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 92045589 PQYYQEVQAYDAGG-UONOGXRCSA-N 370.428 2.689 0 50 FFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)C2 96153420 SNJAFUBWPIQMMT-OXQOHEQNSA-N 351.406 2.640 0 50 FFAA Cc1cc(C)c2c(NC[C@H](c3ccncc3)N3CCOCC3)ncnc2n1 95391806 WJSITACYLSGHKZ-QGZVFWFLSA-N 364.453 2.522 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(O)c1)C2 95531580 JRMGAFVGDLYEPF-DLBZAZTESA-N 355.438 2.620 0 50 FFAA CC(C)N(C(=O)c1ccccc1-c1nc(N2CCOCC2)n(C)n1)C(C)C 426485705 QJXJLSHNBSFICR-UHFFFAOYSA-N 371.485 2.578 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 91988201 NRLSMOHUQVTNJF-OAHLLOKOSA-N 352.434 2.518 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1OC(F)F)CC2 91746231 NOCATNBYEHCTKI-UHFFFAOYSA-N 352.381 2.763 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccoc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95379440 NDGCRJMBIPHITO-XUVXKRRUSA-N 352.434 2.991 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)c(F)c1)CC2 91780969 NFKFUGZSOLYCKG-UHFFFAOYSA-N 362.445 2.625 0 50 FFAA CCN(CC1CCOCC1)C(=O)CN1C(=O)CSc2cc(C)ccc21 95508084 DYMXNQMLUZOAOB-UHFFFAOYSA-N 362.495 2.709 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 91858285 RVTADDAPPQBICY-OAHLLOKOSA-N 357.479 2.758 0 50 FFAA O=C1CCC2(CCN(CCc3ccccn3)CC2)CN1C[C@H]1CCCO1 91602571 PPACYCXLVOVANZ-LJQANCHMSA-N 357.498 2.508 0 50 FFAA COc1cccc(-c2noc([C@H](C)NC(=O)N3CCCC[C@@H]3CCO)n2)c1 180675223 DZHZTOVGABZCMK-DZGCQCFKSA-N 374.441 2.753 0 50 FFAA CCc1nnc(NC(=O)[C@H](C)N(C)Cc2cc(-c3ccccn3)no2)s1 252499095 RVKYBJUIXLMQNC-NSHDSACASA-N 372.454 2.610 0 50 FFAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@H](C(=O)O)C1 299741573 GMPCGFCIVYTUEA-AWEZNQCLSA-N 361.829 2.748 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N[C@H](CC(=O)O)c2cccs2)c2ccccc21 299746322 WQUOUMIJEYJKJL-CHWSQXEVSA-N 358.419 2.530 0 50 FFAA Cc1cc(NC(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)n(C(C)C)n1 299776464 KZJZSGZIRUKFAD-QGZVFWFLSA-N 356.474 2.954 0 50 FFAA COc1ccc([C@@]2(C(=O)NCCCn3nc(C)nc3C)CC2(C)C)cc1 299799186 PWEAMUGUJSYRTF-HXUWFJFHSA-N 356.470 2.778 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 299768569 PGPDWOIODOEEAI-JTQLQIEISA-N 357.391 2.950 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)c1=O 299771677 VMWVCRPDAQQPBE-UHFFFAOYSA-N 356.470 2.749 0 50 FFAA CC[C@H]1CN(C(=O)c2cccc(-c3cncc(C(C)(C)O)c3)c2)CCN1 299798665 QXGOOJDNLWMHOO-IBGZPJMESA-N 353.466 2.800 0 50 FFAA CCOc1ccc(CC(=O)Nc2cccc(NC(=O)CN(C)C)c2)cc1 823375169 UTMMGNNAPINGJA-UHFFFAOYSA-N 355.438 2.767 0 50 FFAA CC1(CNC(=O)c2ccccc2S[C@H]2CC(=O)NC2=O)CCCCC1 828295572 MWTGJPOIKLFBGF-HNNXBMFYSA-N 360.479 2.894 0 50 FFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 827758164 OPVYYKFQCDMTMQ-CQSZACIVSA-N 372.469 2.534 0 50 FFAA COCCN(Cc1ccccn1)C(=O)N[C@H](C)c1nc2ccccc2n1C 584895268 JXDSLULLBOCMLU-OAHLLOKOSA-N 367.453 2.888 0 50 FFAA CC(C)Cc1cc(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)nc(O)n1 952973013 XSCIJEFLQCTGOE-UHFFFAOYSA-N 371.416 2.759 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3cc(C(C)C)n4ncnc4n3)c2)n[nH]1 952985614 BZCVXLJZBFMNNK-UHFFFAOYSA-N 362.397 2.594 0 50 FFAA CN(C)c1cccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)c1 1565525710 IGSBRBIQSZOSBP-OALUTQOASA-N 358.413 2.858 0 50 FFAA CCn1ccnc1CN1C[C@H](c2ccc(C)cc2)[C@@H](NC(=O)C2CC2)C1 1565529835 GECUSUNHDURTHO-MOPGFXCFSA-N 352.482 2.706 0 50 FFAA O=C(NCc1ccc(OCCN2CCCC2)cc1)c1cnc2ccccn12 1465070163 QIKRATDEQPXCEI-UHFFFAOYSA-N 364.449 2.739 0 50 FFAA CC1(C)CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CCS1(=O)=O 192853985 MXPRFMKIIGHWGE-UHFFFAOYSA-N 366.870 2.928 0 50 FFAA Fc1ccc(N2CCC(N3CCN(c4cnccn4)CC3)CC2)cc1F 1506395366 GMMNYCJLHMEMQI-UHFFFAOYSA-N 359.424 2.546 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)n1 1506400123 ANNDMQRODFKACX-CQSZACIVSA-N 372.473 2.606 0 50 FFAA CCOc1ccc2nc(CN3C[C@H](O)[C@H](Cc4cc(C)no4)C3)ccc2c1 1529101673 KVEPVAJHPAIKAI-IERDGZPVSA-N 367.449 2.965 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)c2c1 1775983336 VVVCISCAJMPMPL-QGZVFWFLSA-N 368.433 2.805 0 50 FFAA c1cn(-c2ccc3c(c2)COC3)c(-c2cnc(NC[C@H]3CCCO3)nc2)n1 1772809630 ZDYMAZHMFQRNLS-GOSISDBHSA-N 363.421 2.950 0 50 FFAA O=C(c1ccc2c[nH]nc2n1)N1CCN(c2nsc3ccccc23)CC1 1775978680 UOBLOWYCJLIZPY-UHFFFAOYSA-N 364.434 2.530 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCN1C(=O)c1ccoc1 12198742 NWUBJHZJEUPOBN-KRWDZBQOSA-N 350.378 2.709 0 50 FFAA O=C(NC1CCCCC1)[C@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12385561 GKZXXNYLKBDOMI-KRWDZBQOSA-N 361.530 2.548 0 50 FFAA O=C1C[C@@H](NC2CSCCSC2)CN1CCCc1ccccc1 12586442 PRTVSPFCYRMPCW-MRXNPFEDSA-N 350.553 2.658 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)c1nonc1C 12750615 BDZJDCARRMWKDM-GFCCVEGCSA-N 358.446 2.738 0 50 FFAA CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 13941844 CNVINTDHMUPVCL-JTQLQIEISA-N 360.468 2.936 0 50 FFAA COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)c1 13944106 VWODYDRYTSEHCS-LBPRGKRZSA-N 358.369 2.835 0 50 FFAA CC(C)n1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cn1 14949683 VTQOMDMVGMIKDV-LJQANCHMSA-N 362.518 2.751 0 50 FFAA COCc1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)o1 19840720 AWXLAORHNRSIEM-FQEVSTJZSA-N 372.509 2.927 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](OCc3ccccn3)C2)nc2ccccn12 1857667147 ASGMUIMGQZGKQU-KRWDZBQOSA-N 350.422 2.859 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2)C[C@H]1N 1857705976 DJWLOWZGEHGQJD-WKWVNEEDSA-N 360.498 2.773 0 50 FFAA Cc1cc(Br)ccc1CN(C)C(=O)[C@@H]1CCCN1C(=N)O 331208056 FMBFQAAZWWZPTL-ZDUSSCGKSA-N 354.248 2.673 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]2CCC[C@@H]2N)CCOCC1 237267271 IUEBFMSBFBQVAD-ZBFHGGJFSA-N 366.889 2.640 0 50 FFAA CN(C[C@H](O)C1CC1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 150967030 JKCJAHTXRDYHPN-AWEZNQCLSA-N 355.207 2.912 0 50 FFAA COc1cccc(OC)c1CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 157024889 RDUFLNBPDOYUBX-UHFFFAOYSA-N 369.396 2.888 0 50 FFAA O=C(O)c1nnn(C2CCN(CCc3cccc(F)c3)CC2)c1C(F)F 903912042 WCWZGDPICCIGON-UHFFFAOYSA-N 368.359 2.933 0 50 FFAA C[C@@H](NC(=O)N1C[C@@H](F)C[C@H]1C(=O)O)c1ncc(-c2ccc(F)cc2)o1 1875298598 GYRATYOJCUNYCW-ICCXJUOJSA-N 365.336 2.748 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H]2CCC[C@@H]21 1875266041 SEXBYAILTNNGON-ZYSHUDEJSA-N 361.461 2.783 0 50 FFAA CCc1nnnn1-c1ccccc1NC(=O)C[C@@H]1OCCc2ccsc21 1875259473 MQVRGOPBFACFRO-HNNXBMFYSA-N 369.450 2.929 0 50 FFAA COc1ccc2c(CC(=O)NCc3cccnc3-n3cccn3)c[nH]c2c1 1875361011 NLQXPPYCYWRJKV-UHFFFAOYSA-N 361.405 2.616 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)n(C(C)(C)C)n1 1875383072 FSAIVPSPSJZPBS-VQIMIIECSA-N 366.465 2.645 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 1875367630 XHKZOIQTFGSZTB-UHFFFAOYSA-N 359.426 2.567 0 50 FFAA CC(C)(CNC(=O)c1cc2c(s1)CCCNC2=O)c1ncccc1F 1875311118 NOYYNVBKMOGTMB-UHFFFAOYSA-N 361.442 2.666 0 50 FFAA O=C([C@H]1CC(c2ccccc2F)=NO1)N1CCN(c2ccccc2)CC1 6738459 RDJAIFCWKHRNNO-LJQANCHMSA-N 353.397 2.668 0 50 FFAA Cc1cc(C(=O)N2CCC([C@@H](CN)c3ccccc3)CC2)cc2nn[nH]c12 2325778980 YNDFANRUOJKLJP-SFHVURJKSA-N 363.465 2.861 0 50 FFAA C[C@@H](CCc1ccccc1F)NC(=O)c1ccc(-c2nc(=O)o[nH]2)s1 2325821941 OJZOFKSHEYZEEH-JTQLQIEISA-N 361.398 2.982 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CCCC3CC3)C2(C)C)C1 2325863138 XKOXPEYNHBHGAT-BBWFWOEESA-N 350.503 2.878 0 50 FFAA CCCN(CCC)CCCC(=O)N(C)C1C[C@@H]2CC[C@H](C1)N2C(C)=O 2325867072 JTVPMQFFQOYCNF-DFNIBXOVSA-N 351.535 2.889 0 50 FFAA CCN1CCN(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 20601867 KJBLHHKQFDMRPK-JTQLQIEISA-N 352.788 2.589 0 50 FFAA O=C(c1ccc(O)nc1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356159370 XPFACXGJFRKBBJ-OAQYLSRUSA-N 365.433 2.585 0 50 FFAA CC1(C)NC(=O)N(C[C@@H](O)CN(C2CCCCC2)C2CCCCC2)C1=O 6263397 SYDMSWCBHXTKQW-KRWDZBQOSA-N 365.518 2.645 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 132976296 LFTDRBOYRLLZTJ-STQMWFEESA-N 352.312 2.754 0 50 FFAA OC[C@@H]1CCCN(c2cc(N3CC=C(c4ccccc4)CC3)ncn2)C1 246161333 MEIYLJWGYYQMNX-QGZVFWFLSA-N 350.466 2.979 0 50 FFAA CC1=NO[C@](C)(C(=O)NCc2cccnc2N2CCc3ccccc3C2)C1 67678169 LWUQJRSOGNVMFI-NRFANRHFSA-N 364.449 2.815 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N[C@@H]1CCCC[C@H]1C 247996463 PVSUFLPMJMNERZ-MNYVBKTASA-N 363.498 2.944 0 50 FFAA CN1CCCC[C@H]1CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 65431193 ZFUNULANGBLFCW-INIZCTEOSA-N 356.470 2.741 0 50 FFAA Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1N(C)S(C)(=O)=O 67601828 ZYEDETQJUOHTFR-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA Cc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1N(C)S(C)(=O)=O 65363349 LEIKEFXYAUWESR-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@H]1c1cccc(O)c1 67649439 QFHYVXHJMVHMJX-QGZVFWFLSA-N 357.845 2.958 0 50 FFAA O=C(CC1=CCNCC1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65431238 XBVMAAUMOSPOQM-LEWJYISDSA-N 350.462 2.826 0 50 FFAA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1 4387085 UYZGXPORMKLLHJ-CQSZACIVSA-N 351.358 2.986 0 50 FFAA c1ccc(Cn2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1 4610703 MRYXFOXYTNRDJU-UHFFFAOYSA-N 371.448 2.596 0 50 FFAA O=C(c1ccccc1)C1CCN(S(=O)(=O)NCc2ccccc2)CC1 71753653 GHFCPTHKKQGOIH-UHFFFAOYSA-N 358.463 2.616 0 50 FFAA COc1ccc(CN2CCO[C@H](Cc3ccc(F)cc3)C2)cc1C(=O)O 71745580 QCMLIINTYMLFBV-QGZVFWFLSA-N 359.397 2.976 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71575224 BMADOVRLNMJQLQ-AWEZNQCLSA-N 369.391 2.655 0 50 FFAA Cc1nccn1CCC(=O)N1CCCN(CCCc2ccccc2)CC1 77320714 FYULHBZLAOBFOY-UHFFFAOYSA-N 354.498 2.749 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CCc1ccoc1 328625305 CYTVIXXGQMUUHP-GJZGRUSLSA-N 351.447 2.740 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)c1ncnc2c1CCNCC2 72480703 TWKLNWABODACKK-UHFFFAOYSA-N 351.479 2.925 0 50 FFAA Cc1ccc(C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)c(=O)n1C 216354792 RITBEIKNGPENFB-UHFFFAOYSA-N 362.433 2.684 0 50 FFAA O=C(COCc1ccccc1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77536646 QQIWMZATLOLMMX-QFIPXVFZSA-N 370.493 2.844 0 50 FFAA Cc1ccc(OCCN(C)C(=O)CCc2nnc(-c3cc(C)on3)o2)cc1 12712449 VLHKSNZIWXMKJB-UHFFFAOYSA-N 370.409 2.811 0 50 FFAA CCCOCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72478560 VXDKTGCLYBEKSE-NRFANRHFSA-N 358.482 2.844 0 50 FFAA Cn1c(=O)sc2cc(CN3CC[C@]4(C3)C(=O)Nc3ccccc34)ccc21 369128161 RAXUUEFZEKTNEQ-HXUWFJFHSA-N 365.458 2.696 0 50 FFAA CSCC(=O)N[C@H]1CC[C@H]1NC1CCN(c2ccccc2Cl)CC1 72133105 IYISLXYEAQAHOJ-CVEARBPZSA-N 367.946 2.909 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 157959006 DJUYGUVIUJROGK-LZQZEXGQSA-N 366.417 2.997 0 50 FFAA Cc1cccc([C@@H]2CCCCN2C(=O)CCN2CCCS2(=O)=O)c1C 173513889 LLVSCTPUGYBOQA-SFHVURJKSA-N 364.511 2.783 0 50 FFAA Cc1cccc2c(CCC(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@H]3O)c[nH]c12 241124177 JGCWNIDXAHRUPK-IPMKNSEASA-N 356.466 2.797 0 50 FFAA COc1ccc(-c2cc(C(=O)N3N=C(C)C[C@@]3(O)C(F)(F)F)n[nH]2)cc1 18162294 SVALFIUUBBSGMC-OAHLLOKOSA-N 368.315 2.558 0 50 FFAA CN(C)[C@@H]1[C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)[C@H]2CCO[C@H]21 222895481 SZOWCDRNHAYYPP-IYWMVGAKSA-N 352.434 2.926 0 50 FFAA CCOc1ccc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)cc1Cl 220290465 XMXYQRUTCRYXBH-AWEZNQCLSA-N 365.817 2.946 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(C)Cc1nc(O)c2ccccc2n1 426550091 VKJUSRWYPVBYCY-NSHDSACASA-N 368.441 2.588 0 50 FFAA CNc1nc(C)cc(N2CCC(Oc3cc(C)ccc3F)(C(=O)O)CC2)n1 82092728 VHHCYAMMSHSEAP-UHFFFAOYSA-N 374.416 2.777 0 50 FFAA Cc1nc(CCCNC(=O)c2coc(CN3CCOCC3)c2)sc1C 95384615 YEZOXIOJSFIONR-UHFFFAOYSA-N 363.483 2.548 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C1CSCCSC1)CC2 95520536 HEYZTNKKPZMRPW-UHFFFAOYSA-N 366.600 2.818 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)cc2)C1 426519269 PAPCWSCAVDTYIR-GOSISDBHSA-N 368.481 2.808 0 50 FFAA Cc1cc(N2CCCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)ccn1 96139161 NYHDSGPFRIHYGQ-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA Cc1cccc(OC2CCN(C(=O)[C@H]3CCCN(C(=O)N(C)C)C3)CC2)c1 95368655 DKTYYSMJCHMOAF-KRWDZBQOSA-N 373.497 2.758 0 50 FFAA Cc1cccc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2=O)c1 96150515 DKIGKWRBWOPYMU-UHFFFAOYSA-N 359.433 2.696 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)c1 426488372 UBALJHOQKBJGSI-INIZCTEOSA-N 355.438 2.533 0 50 FFAA Nc1nnc(CCn2cc(-c3ccc([C@H]4CCCCO4)s3)nn2)s1 91288900 NNIRDZYIKUYTIC-LLVKDONJSA-N 362.484 2.925 0 50 FFAA Cn1cncc1-c1cccc(C(=O)N2CCC(N3CCSCC3)CC2)c1 426582755 FOBRYUGUTFACCL-UHFFFAOYSA-N 370.522 2.741 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)no1 95357023 AIVGVBFNGIWZQG-QGZVFWFLSA-N 367.449 2.858 0 50 FFAA COc1cc(OC)cc([C@H](O)CNC(=O)Nc2ccc3c(c2)CCC3=O)c1 95525673 PALVNAMDDUHKRG-LJQANCHMSA-N 370.405 2.688 0 50 FFAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CC=C(c2ccccc2)CC1 97819501 CHGVDIHBOHTEAX-OAQYLSRUSA-N 363.461 2.771 0 50 FFAA Cn1cc(CN(C(=O)C2CCN(C(=O)C3CC3)CC2)C2CCCCC2)cn1 91644106 TXUOEVMLTUSASC-UHFFFAOYSA-N 372.513 2.730 0 50 FFAA CN1CCCC[C@@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 97499570 ALYFNQPIUURHBA-MRXNPFEDSA-N 355.404 2.838 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 96136589 GRJGZWINPGQCJY-MRXNPFEDSA-N 371.485 2.956 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1c[nH]c3ccccc13)C2 91713881 JYDZTNJCTURXAM-DOTOQJQBSA-N 368.481 2.705 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(C)n1)CC2 95504249 SSYSAUYHVJJAGQ-UHFFFAOYSA-N 353.470 2.513 0 50 FFAA O=C(c1cccnc1)N1CCC(N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 244700989 JXVCLBBYDMAOAK-WDYCEAGBSA-N 371.506 2.850 0 50 FFAA CCc1nnc(NC(=O)[C@@H](C)N(C)Cc2ccc3nsnc3c2)s1 244795556 RINFSQZUKZWDMT-SECBINFHSA-N 362.484 2.564 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1scc2c1OCCO2 244641200 GLDAEGJQLHGNIA-RBSFLKMASA-N 359.447 2.631 0 50 FFAA O=C(Cc1c(Cl)cccc1Cl)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 252535838 GZYCNBFLVNNPCV-SNUQEOBHSA-N 371.308 2.791 0 50 FFAA COc1ccc(-c2nc(C)c(C(=O)N[C@H](CO)CCSC)s2)cc1 253412166 QBSANFZUGXQMOG-ZDUSSCGKSA-N 366.508 2.971 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc3c(c2)OCO3)C1 252482191 DAGFBGSJTQGGOT-QGZVFWFLSA-N 352.434 2.943 0 50 FFAA CSCC[C@@H](CO)NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 253415010 ZJHOROWWXDFDEV-JLSDUUJJSA-N 363.523 2.932 0 50 FFAA O=C(NCC1CCCCC1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263616082 GWGRCDQRYSCKIV-KRWDZBQOSA-N 358.417 2.999 0 50 FFAA COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccccc4)ccn3n2)cc1 263615122 APYVYSNNYYFZQV-HXUWFJFHSA-N 361.401 2.905 0 50 FFAA COc1c2c(cc3c1[C@@H](CC(=O)c1cc(O)ccc1O)N(C)CC3)OCO2 263585096 FAHOQKLOKCCBFH-CQSZACIVSA-N 371.389 2.637 0 50 FFAA biogenic O=C(NCc1cccc(F)c1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615466 CNVJQHAOUXCXRC-QGZVFWFLSA-N 352.369 2.619 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1CCC(Oc2ccncc2)CC1 299796113 MSPGYLOUBRTRFP-UHFFFAOYSA-N 358.463 2.850 0 50 FFAA CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1N1CCNCC1 46085402 DQYDUZBWYLNOAS-UHFFFAOYSA-N 353.344 2.840 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@@H]1COc3c(cccc3OC)C1)n2C 824758494 IJBNQQYKGBUUJH-HNNXBMFYSA-N 366.417 2.929 0 50 FFAA COc1cccc2c1OCCCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)C2 824804799 NAJIHZPLGSVEFD-HNNXBMFYSA-N 359.422 2.682 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)c2c(C)nn(C)c2n1 888088454 ANMDAENOEPTOAO-AEFFLSMTSA-N 369.513 2.922 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)o1 275485755 VUOCRAVPPCHJCJ-INIZCTEOSA-N 352.394 2.955 0 50 FFAA O=S(=O)(c1ccc(-n2cc(Br)cn2)cc1)N1CCCCC1 40456691 GRSHOZSMDJHJEH-UHFFFAOYSA-N 370.272 2.809 0 50 FFAA in-vitro Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)C[C@H]2CCOC2)s1 1506402057 IMUNXUDUMUDHOW-GFCCVEGCSA-N 356.469 2.677 0 50 FFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)c1ccc(-n2cnnn2)cc1 1529138488 DDFYVSGQENQWCV-AWEZNQCLSA-N 359.393 2.720 0 50 FFAA O=C(CCCc1cccs1)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529105545 FZRDYJAPPGFNTQ-PZJWPPBQSA-N 373.518 2.885 0 50 FFAA CN(CC(=O)N1CCC2(CC1)OCCc1ccsc12)Cc1ccncc1 1704304197 PIECSIPBSBOCMZ-UHFFFAOYSA-N 371.506 2.666 0 50 FFAA CC(C)n1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1704349933 LTBOKYQXKAYCSH-OXQOHEQNSA-N 364.449 3.000 0 50 FFAA COC(=O)[C@@H](C)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1 11816987 OBCJZVOHGUNFFH-CYBMUJFWSA-N 352.390 2.904 0 50 FFAA CN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CCCN(Cc2ccccc2F)C1 15065020 BYFXCBHXJBZOCW-HNNXBMFYSA-N 356.445 2.774 0 50 FFAA Cc1ccc(C(=O)N2CCC([C@H]3OCC[C@@H]3Nc3ncccn3)CC2)cc1 1857531957 RVTNRANFIGWQQU-RBUKOAKNSA-N 366.465 2.907 0 50 FFAA O=C1C[C@H]2N(Cc3ccccc3OC(F)(F)F)CC[C@]23OCCCN13 1857716939 JHLOCQPSERHJHT-ZBFHGGJFSA-N 356.344 2.508 0 50 FFAA COc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)c(OC)c1C 1857731024 IASMQPWGNHDQJP-UHFFFAOYSA-N 350.440 2.625 0 50 FFAA O=C(Nc1c[nH]nc1[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1)C1CCCC1 331492552 GPAVNDNGTFVOOW-TZMCWYRMSA-N 374.407 2.641 0 50 FFAA CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 332260620 DNKXDGNSLACYHN-MEBBXXQBSA-N 365.271 2.715 0 50 FFAA Cc1ccc(-c2ccccc2CN2CC[C@H](N3CCOCC3)[C@@H](O)C2)o1 247952239 YOIWGRXTSFXYAU-PMACEKPBSA-N 356.466 2.522 0 50 FFAA C[C@@]1(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)CC1(F)F 263099502 CRMILMWIBTWBRQ-GUYCJALGSA-N 366.364 2.750 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 819757497 YZMCYBGXIHBVNA-FQEVSTJZSA-N 368.477 2.910 0 50 FFAA C[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1875260959 GHFYWEJIRJCOJW-MEBBXXQBSA-N 363.259 2.519 0 50 FFAA Cn1cc(-c2nc(-c3ccc(OC[C@H]4C[N@@]4CC4CC4)cc3)no2)cn1 1875385581 WTWHFKGRTRVUGP-VOIUYBSRSA-N 351.410 2.610 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 886096453 IAIRXYVCGISXMO-NSHDSACASA-N 351.204 2.700 0 50 FFAA O=C1CC[C@H](C(=O)N2CCC(c3noc(C(F)F)n3)CC2)n2cccc21 888091127 VQVZDGNGQOZXRR-GFCCVEGCSA-N 364.352 2.733 0 50 FFAA Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccn1 888102036 VIHHHZXGGZOZBS-MAUKXSAKSA-N 353.470 2.903 0 50 FFAA CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2cc(C)on2)CC1 1424562 XWRTXZHDFNHUGM-UHFFFAOYSA-N 371.437 2.518 0 50 FFAA OC1CN(C2CCN(Cc3ccccc3OCc3ccccc3)CC2)C1 2100537096 IIIYOWCWWWXUTK-UHFFFAOYSA-N 352.478 2.907 0 50 FFAA COC(=O)c1cc(NC(=O)c2cccc(C)c2OC)cc(C(=O)OC)c1 4868733 LKKZPPZBUSEBKF-UHFFFAOYSA-N 357.362 2.829 0 50 FFAA CN(C)c1noc([C@@H]2CCCN2C(=O)Cc2cncc3ccccc23)n1 2325760667 PCLNXVOTPBWRGK-INIZCTEOSA-N 351.410 2.590 0 50 FFAA Cn1nnc(CS(=O)(=O)Cc2csc(C(C)(C)C)n2)c1C(F)F 2325770676 XQRPLMZFGKSSFW-UHFFFAOYSA-N 364.443 2.622 0 50 FFAA O=C([C@@H]1CCOc2ccccc21)N(Cc1ccccn1)C1CCNCC1 2325774798 UODRBDOYFDQDOW-LJQANCHMSA-N 351.450 2.729 0 50 FFAA O=C(Nc1ccccc1)c1ccc(CN2CCNC[C@@H]2c2cn[nH]c2)cc1 2325858909 GJRVBQXEYMTDKG-HXUWFJFHSA-N 361.449 2.809 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc(C(N)=O)ccc1F 2325864657 UWXVZFZZEUYMKM-UHFFFAOYSA-N 367.380 2.861 0 50 FFAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1noc2ccccc12 867898573 JCCSQVHWOIIHEN-MRXNPFEDSA-N 367.405 2.801 0 50 FFAA O=C1CS(=O)(=O)c2cc(NC(=O)c3ccc(C4CCC4)cc3)ccc2N1 874888365 BYOPTZVZQYUEIK-UHFFFAOYSA-N 370.430 2.932 0 50 FFAA CC(=O)Oc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 635249 CQMQMEXENAOTPQ-GOSISDBHSA-N 367.405 2.990 0 50 FFAA CCOc1ccc(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 814362 RQQIGXBBYUJAIJ-OAHLLOKOSA-N 350.378 2.898 0 50 FFAA c1cc2ccc(CN3CCc4nc(C5CCOCC5)nn4CC3)cc2[nH]1 2356135289 XKFMIUMVJCXRMU-UHFFFAOYSA-N 351.454 2.712 0 50 FFAA CCOC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCc2ccccc2)cc1 2891908 NYFGOCRVGRGPIK-HNNXBMFYSA-N 368.433 2.939 0 50 FFAA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 2928273 DNONUYUGGOUVTK-INIZCTEOSA-N 364.467 2.962 0 50 FFAA CCOc1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1 3461910 MKPBNKJSPQNLQG-UHFFFAOYSA-N 354.406 2.891 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 3893087 PZAVSCFJBZLRKN-LLVKDONJSA-N 350.362 2.608 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 245203958 QHCDKUPMKFYDTA-JKIFEVAISA-N 364.511 2.953 0 50 FFAA O=C(C[C@H]1CCOc2ccccc21)NC1CCN(C(=O)c2ccco2)CC1 117748942 MWQLPKXDLNKZOV-OAHLLOKOSA-N 368.433 2.957 0 50 FFAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2ccc(OC)cc2OC)oc1C 55270112 XANQDVVNNJHZGF-INIZCTEOSA-N 360.410 2.805 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(-n2ccnc2C)n1 67604086 WGAGWXNCNMBABF-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA Cc1nc(N)ncc1-c1nc(CC(C)C)nn1-c1ccc2c(c1)OCO2 65370203 ZXERYSKRSAXCGO-UHFFFAOYSA-N 352.398 2.542 0 50 FFAA Cc1ccsc1[C@@H]1CCN(Cc2cccn2-c2ncccn2)C[C@H]1O 65426872 HPNRNQOLSJHBFD-IAGOWNOFSA-N 354.479 2.988 0 50 FFAA CCC[C@@H]1COCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67947923 XSUFTFPJZXYDSM-CYBMUJFWSA-N 374.393 2.623 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCc2onc(-c3ccccc3)c2C1 67587012 IOKYUFUYUDSMMK-UHFFFAOYSA-N 363.417 2.787 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@H](Cc1c[nH]cn1)n1cccc1)C2 67472799 IJSZYYBHVPEPQA-KRWDZBQOSA-N 364.453 2.625 0 50 FFAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(-n2cccc2)cc1 2790102 JPZQXUINULGJQJ-UHFFFAOYSA-N 362.414 2.860 0 50 FFAA O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 252504254 VIVVZZXOGBFPGE-QGZVFWFLSA-N 362.351 2.564 0 50 FFAA O=C1[C@@H](N2CCC[C@H]2c2ccc3c(c2)OCCO3)CCN1CC(F)(F)F 252680075 VJYLOUFFYQQHLL-KBPBESRZSA-N 370.371 2.758 0 50 FFAA COC(=O)C[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl 5660287 KBAUDKOVCUNTTN-GFCCVEGCSA-N 359.856 2.984 0 50 FFAA CCSc1ccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)s1 218964213 BYHXAIVLMGLOJQ-CYBMUJFWSA-N 351.497 2.988 0 50 FFAA O=C(CCc1cn2ccccc2n1)N1CCN(Cc2cccc(F)c2)CC1 72411258 BORWSLRCMNUIHR-UHFFFAOYSA-N 366.440 2.750 0 50 FFAA CC[C@H](C)NC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77355377 JSMWFMDDLVSHTJ-LBPRGKRZSA-N 374.828 2.862 0 50 FFAA Cc1ncsc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 328603337 FSBRAPIGJNJHNO-FZKQIMNGSA-N 368.466 2.845 0 50 FFAA c1ccc2c(N3CCN(Cc4ccc5nsnc5c4)CC3)ncnc2c1 72170481 QRTWAZUHNVATDN-UHFFFAOYSA-N 362.462 2.957 0 50 FFAA O=C(c1cc(-c2ccncc2)on1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375016602 FYAFSZHJHAVSSF-IBGZPJMESA-N 353.353 2.609 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@H](CN2CCCC2)C1 129929825 KAZHCIPBUSJILW-CQSZACIVSA-N 360.424 2.587 0 50 FFAA CCCc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1 331380390 FEGACJUZSOAXAM-SUMWQHHRSA-N 362.499 2.954 0 50 FFAA O=C(NCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)c1cccc(F)c1 125942618 IVTKLODRTXLXQG-RTBURBONSA-N 370.424 2.670 0 50 FFAA C[C@H](Sc1ccccn1)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216409121 APAOPBPNQIMWRK-ZDUSSCGKSA-N 365.462 2.932 0 50 FFAA Cc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(C)n1 182542414 LLJHAAJJMMBTHI-UHFFFAOYSA-N 352.438 2.650 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(c1ccc(-c3ccccc3)nn1)C2 72447388 KYFONRBKEZSSEL-UHFFFAOYSA-N 363.421 2.768 0 50 FFAA Cc1[nH]c(=O)c(C(=O)N2CCC([C@@H](O)CC(C)C)CC2)c(C)c1Cl 77437604 GVINMMIEHIABQW-AWEZNQCLSA-N 354.878 2.904 0 50 FFAA O=C(O)COc1ccccc1CN1CCCN(Cc2ccc(F)cc2)CC1 72173909 SSOIFUAEBUUGNL-UHFFFAOYSA-N 372.440 2.997 0 50 FFAA COc1ccccc1N1CCN(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)CC1 282136234 GQADFCQDCLYEKD-HZPDHXFCSA-N 361.486 2.730 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCOc2ccccc21 376703714 MBNXLJCAYMSUFU-LJQANCHMSA-N 350.418 2.948 0 50 FFAA CC(C)(O)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccn2)cc1 373458334 FRPKMFMPEPWLHW-IBGZPJMESA-N 353.466 2.590 0 50 FFAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1cnc(-c2ccccc2)s1 72410898 PFHFUSMCZWYIAQ-QGZVFWFLSA-N 370.522 2.500 0 50 FFAA Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](c2ccccc2)C2(CCC2)C1 333949790 XOPOTDXYCBZMTM-IRXDYDNUSA-N 354.454 2.677 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@@H](CCc2ccccc2F)C1 71746975 HVUOJHCSMGOYBQ-AWEZNQCLSA-N 353.401 2.748 0 50 FFAA O=C(O)C1(Oc2ccccc2F)CCN(c2ncnc3[nH]ccc23)CC1 72454797 TXTIYWZHTJHHAB-UHFFFAOYSA-N 356.357 2.600 0 50 FFAA C[C@H](Oc1ccccc1CN1CCC(Oc2cccnc2)CC1)C(=O)O 215105066 HGLXEJRBNMBQHR-HNNXBMFYSA-N 356.422 2.977 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)NC3(C(=O)O)CC3)c2C)cc1 237851920 UYVOXWHWUBKADC-UHFFFAOYSA-N 355.438 2.523 0 50 FFAA C[C@H]1CCCN1Cc1cc2n(n1)CCCN(C(=O)NCc1ccco1)C2 72447767 VCOOQZSGLGXCJU-HNNXBMFYSA-N 357.458 2.576 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)c3cccc(C)c3Cl)cc2C1 82099646 RGWALOOFPORRAY-UHFFFAOYSA-N 360.845 2.527 0 50 FFAA Cc1cccc(N2C[C@@H](C)N(C(=O)c3cccc4nccnc34)CC2=O)c1 82115129 MPVLRXNAMHTBSA-OAHLLOKOSA-N 360.417 2.816 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)Nc3ccnn3-c3ccccc3)CC2)OC1=O 97137586 KWXYNMZNBQXFQD-IBGZPJMESA-N 369.425 2.711 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95376054 QOEJBHNGRSESFG-HXUWFJFHSA-N 353.466 2.837 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)cs1 97370511 FHYSDUDHVXVWCZ-LJQANCHMSA-N 366.446 2.786 0 50 FFAA NC(=O)c1cc2c(nc1N1CCC[C@@H](c3nc4ccccc4[nH]3)C1)CCC2 95518015 SWHCFAYTUKVMKD-CQSZACIVSA-N 361.449 2.930 0 50 FFAA NC(=O)c1ccc2[nH]c(CN3CCCC[C@@H]3c3cccnc3)cc(=O)c2c1 92037661 XALWRBDWDFZDHT-LJQANCHMSA-N 362.433 2.749 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3c(C)cc(C)[nH]c3=O)c2n1 92038104 OXSRBTBZXVNBEH-UHFFFAOYSA-N 351.406 2.657 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)NCc2cccc(F)c2)C1 91468486 XTZVASPSBSKRQK-GOSISDBHSA-N 352.406 2.629 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)C2 97635093 QAQXNDCNVJKXMI-HNNXBMFYSA-N 368.412 2.782 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)[C@@H](C(=O)O)c1cccc(CO)c1 95358989 XOLJXBVJCRZQKC-LJQANCHMSA-N 351.406 2.622 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1Cc2ccccc2CN1C 95379458 FQVXTFWYQPVXDQ-FQEVSTJZSA-N 362.433 2.752 0 50 FFAA CCc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3OC)C2)ccn1 91587301 RTOJNXGQEBSPRN-DLBZAZTESA-N 354.406 2.593 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 244673654 HTHUGOMAEPGYIR-GASCZTMLSA-N 372.419 2.960 0 50 FFAA COc1ccc([C@H](NC(=O)CCc2ccccc2C)[C@H]2C[C@@H](O)C2)cn1 252527557 CWDZWZYTHXBPCJ-UEXGIBASSA-N 354.450 2.960 0 50 FFAA N[C@H]1C[C@@H](c2cc(NCC3(c4cccc(F)c4)CCOCC3)ncn2)C1 252548781 QKSNCBXZLQSUAO-KDYLLFBJSA-N 356.445 2.981 0 50 FFAA CC(C)c1csc(CCNC(=O)c2cccc(-c3cncc(=O)[nH]3)c2)n1 534578497 DVOCMKWDVBBOKV-UHFFFAOYSA-N 368.462 2.989 0 50 FFAA CCc1cc(-c2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2)nc(C)n1 534587238 ZEKXRJVUXOSMRH-UHFFFAOYSA-N 354.454 2.659 0 50 FFAA CCC(=O)Nc1cc(NC(=O)N(C)Cc2cnc(NC)nc2)ccc1OC 299791499 DFFZAOPMLJNZCB-UHFFFAOYSA-N 372.429 2.539 0 50 FFAA Cc1cc(NC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)n(C(C)C)n1 299776461 KZJZSGZIRUKFAD-KRWDZBQOSA-N 356.474 2.954 0 50 FFAA Cc1nccc(N2CCN(C(=O)NCCc3cc4ccccc4o3)CC2)n1 185007631 LMLSDFSZCWWGTJ-UHFFFAOYSA-N 365.437 2.606 0 50 FFAA COc1cnc([C@@H]2CCCN2c2cc(C(F)F)nc(SC)n2)nc1O 1343307581 ZXSPVFMRSVMPLX-VIFPVBQESA-N 369.397 2.982 0 50 FFAA Cc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)c(F)c1F 952874004 SPGDPRFAXBBDDO-SNVBAGLBSA-N 359.332 2.970 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCCN(c2ccncc2F)C1 952972071 MDESNVQHJLIGRH-OAHLLOKOSA-N 371.412 2.525 0 50 FFAA CCOC(=O)Nc1ccc(NC(=O)c2cc(N3CCOCC3)ccn2)cc1 275750497 DHIIZXIXHUKOMU-UHFFFAOYSA-N 370.409 2.739 0 50 FFAA CN(C)c1nccc([C@@H]2CN(C(=O)c3ccc4sccc4c3)CCO2)n1 276666369 MYIFFORJUMOTTK-INIZCTEOSA-N 368.462 2.971 0 50 FFAA Cc1n[nH]c2ncc(NC(=O)c3cccc(OCC(F)(F)F)n3)cc12 170651641 VJPVPEGQSXOHBO-UHFFFAOYSA-N 351.288 2.855 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 192402169 ZIQJCXQLBCMRDU-QPUJVOFHSA-N 357.193 2.714 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 194065397 MIMRKJKNLZINLF-GXTWGEPZSA-N 372.387 2.909 0 50 FFAA CCCn1ncc(C)c1NC(=O)CN1CCN(c2cccc(C)c2)CC1 1506414294 NWTKPOUXGBPISW-UHFFFAOYSA-N 355.486 2.671 0 50 FFAA CCSc1cccnc1C(=O)NCc1nn(C)cc1Br 452756951 QPIQCYDBPPCXML-UHFFFAOYSA-N 355.261 2.620 0 50 FFAA CO[C@@H]1C[C@H](C(=O)NCc2cc(-c3ccccc3Cl)on2)CC[C@@H]1O 1704308094 FUHAZYSZRSUHBR-XQAQDONZSA-N 364.829 2.787 0 50 FFAA CN1CCC[C@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 1704331685 SGBSZFVRVPJOMG-INIZCTEOSA-N 367.493 2.900 0 50 FFAA CCCCc1ncc(CN2C[C@H]3CN(Cc4cccs4)C[C@]3(CO)C2)[nH]1 1772702770 DXSAIAZVYAESSA-JXFKEZNVSA-N 374.554 2.740 0 50 FFAA CCCc1ncc(CN2CC[C@H](C3CCN(c4ncccn4)CC3)C2)cn1 11754237 QALGBNZIRLHVJR-IBGZPJMESA-N 366.513 2.958 0 50 FFAA CCCCn1c(C)c(CC(=O)N2CC[C@H](N(C)C)C2)c2c1CCCC2=O 12373134 WISORGYTIPBWQX-INIZCTEOSA-N 359.514 2.821 0 50 FFAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 12381231 NFHKHBXWSOBPOT-UHFFFAOYSA-N 371.525 2.616 0 50 FFAA O=C(CCN1CCCCO1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12587749 KFKYMIQQBQSJOW-HNNXBMFYSA-N 353.413 2.785 0 50 FFAA Cc1ccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)cc1Cl 16839781 KUYZTMVUEZTSII-SNVBAGLBSA-N 353.749 2.854 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@@H](O)C1)C1(c2ccccc2F)CC1 19148231 SPZGGQIUKUZRKK-MRXNPFEDSA-N 369.440 2.530 0 50 FFAA COc1cccc2ccn(CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)c12 206416243 MJDHJHINLBEOML-QGZVFWFLSA-N 366.417 2.852 0 50 FFAA CCn1cc([C@@H]2NC(=O)CC[C@H]2NCC=Cc2ccccc2OC)cn1 1857532549 XSPGLMKCNLOATC-XLIONFOSSA-N 354.454 2.534 0 50 FFAA O=C(NC[C@H]1CCCO1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857701209 GYIRDRUSCDXKEX-CQSZACIVSA-N 363.845 2.993 0 50 FFAA CCCN1C[C@@H]2[C@H](CNC(=O)c3ccc4cc[nH]c4c3)[C@H]3CC[C@]2(C1)O3 1857733574 PHRRTOQJUSQCQT-GMLUQMLDSA-N 353.466 2.787 0 50 FFAA Cc1c[nH]ccc1=NC(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328646048 ZYTQSPJINZODGW-LBPRGKRZSA-N 367.375 2.754 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCOc1cccc(Br)c1 237383067 CVOAPDMPJADYCU-TZMCWYRMSA-N 355.276 2.946 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CCOCC1 238068030 BCNJWUBNIBODFL-HZPDHXFCSA-N 351.830 2.926 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)C1CC2(CC2)C1 851023488 IKXLARBUTPIXCE-UHFFFAOYSA-N 350.259 2.506 0 50 FFAA COc1cc(N2CCN(C(=O)c3nccc4[nH]ccc34)CC2)ccc1F 854380269 DYQMQUOMCKUZNR-UHFFFAOYSA-N 354.385 2.673 0 50 FFAA CN(C[C@H](O)CN1CCC(c2nccc(-c3ccccc3)n2)CC1)C1CC1 952892570 OQPUPNPGAZEHNT-FQEVSTJZSA-N 366.509 2.778 0 50 FFAA O=C(NC[C@@H]1CCN1C1CC1)N1CCC2(C=Cc3ccccc3O2)CC1 952852277 JHTBKSVUCUPTOI-SFHVURJKSA-N 353.466 2.873 0 50 FFAA O=C(COc1ccccc1C(F)(F)F)N1CCCC2(CC2)S1(=O)=O 1875285549 QKFPVFREUOGRLP-UHFFFAOYSA-N 363.357 2.569 0 50 FFAA O=C(N[C@@H]1CC[C@@H]2CNCC[C@@H]2C1)c1ccn(-c2ccc(F)cc2F)n1 1875292400 HHCUUYYFPLXHDQ-UMVBOHGHSA-N 360.408 2.659 0 50 FFAA O=C(N[C@@H]1CCCC[C@@H]1O)c1cc(Cl)nn1-c1ncccc1Cl 1875293161 FMEFWAACXLXBGE-PWSUYJOCSA-N 355.225 2.607 0 50 FFAA O=C(CNc1ccccc1Cl)N[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C=CCC1 1875345088 RMYBIPHJGYXXKX-XKQJLSEDSA-N 361.873 2.872 0 50 FFAA C=CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)Cc1csc(C(C)(C)C)n1 1875386786 YSIAATBFHOLZQU-HIFRSBDPSA-N 363.527 2.960 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC(c3cc(CO)on3)C2)cc1 886084810 IOBGZVUPYCTFJI-MJGOQNOKSA-N 356.422 2.569 0 50 FFAA CCC[C@@]1(CO)CN(Cc2cccc(-n3nc(C)cc3C)c2)CC[C@@H]1O 2100539310 BRUXKRDIWUFZLG-SFTDATJTSA-N 357.498 2.835 0 50 FFAA CC(=O)N1CCC(Sc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 848749943 ZPEIPCFWCRTOOL-UHFFFAOYSA-N 369.450 2.624 0 50 FFAA N[C@H](CN=c1cc(-c2ccccc2)n2[nH]cnc2n1)c1ccc(F)cc1F 2325858849 CWHZVZFIQPYSKO-MRXNPFEDSA-N 366.375 2.603 0 50 FFAA COc1cc(C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)nnc1C1CC1 2325891486 KEHONPXHSZYSPH-UHFFFAOYSA-N 371.828 2.865 0 50 FFAA CC(C)Cc1nc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)no1 2356143749 VPSWAFHZSDXZFP-QZTJIDSGSA-N 356.470 2.526 0 50 FFAA C[C@@H](c1ccccc1)N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 2879552 OZFMZIOAGPZXNE-FZMZJTMJSA-N 356.403 2.761 0 50 FFAA NC(=O)COc1ccc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)cc1Cl 2356164519 WECQEZDSZJMVTI-SJLPKXTDSA-N 374.868 2.555 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)Nc2cc(F)ccc2F)C1=O 2356164641 BACPAMVRHFGEQJ-GOSISDBHSA-N 367.396 2.600 0 50 FFAA Cc1cccn2cc(C(=O)N3CCC[C@]34CCCN(C(C)C)C4=O)nc12 2356164657 BODLPOBBUVQSEA-FQEVSTJZSA-N 354.454 2.648 0 50 FFAA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 4858037 IOEUPXDNSSTPQZ-AWEZNQCLSA-N 362.451 2.651 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccnc1 6703278 OWXCQFKPVLUMMA-UHFFFAOYSA-N 359.451 2.899 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 101099996 SQNVBHQZGNPWIE-LKTVYLICSA-N 362.813 2.540 0 50 FFAA CCNC(=O)[C@H](C)N1C(=O)C2(CCN([C@@H](C)CC)CC2)Nc2ccccc21 55165869 LCQRYHYEIFYBSZ-HOTGVXAUSA-N 372.513 2.603 0 50 FFAA CN(c1cccc(C(=O)NCc2ccc(Cl)cc2)c1)S(C)(=O)=O 65362488 NITQEIQKFXEARH-UHFFFAOYSA-N 352.843 2.666 0 50 FFAA CCOC(=O)[C@]1(C)CCN(C(=O)c2cnc(S)n2-c2ccccc2)C1 134998623 CZWOHCPVFGOEBO-GOSISDBHSA-N 359.451 2.576 0 50 FFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(F)cc1 248304312 LYXJPHMHUVQAJK-ZWKOTPCHSA-N 362.445 2.907 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)nc(C)n1 67602177 YFNHGZXBUOTUTR-UHFFFAOYSA-N 353.470 2.742 0 50 FFAA CN(CC1(C)COC1)C(=O)c1cc(COc2c(F)cccc2F)on1 67822160 LDSBKQBSDOWXCA-UHFFFAOYSA-N 352.337 2.640 0 50 FFAA C[C@@H](N)C(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67967252 PQDSRXYPOLZDJR-LLVKDONJSA-N 369.446 2.737 0 50 FFAA Cc1ccc(Cl)cc1C(=O)NCc1cccnc1N1CCN(C)CC1 67514357 AEJVAJXIRVHNAW-UHFFFAOYSA-N 358.873 2.725 0 50 FFAA O=C(CCCn1cncn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67177619 HAJKSFXEPOKMKZ-HNNXBMFYSA-N 369.252 2.965 0 50 FFAA CN(C)C(=O)c1ccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc1 67472720 LFYJZGDKMAKECW-UHFFFAOYSA-N 365.412 2.688 0 50 FFAA COc1ccc(OC)c([C@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65529124 SFWQAWNRIWWKOG-CQSZACIVSA-N 373.478 2.912 0 50 FFAA CCn1c(N[C@@H]2CC(=O)N(c3ccccc3OC)C2=O)nc2ccccc21 2768591 PWXPCNUZDTZBTH-CQSZACIVSA-N 364.405 2.809 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCCN(Cc2ccccn2)CC1 77506098 WBEYCMVLNLYGQK-UHFFFAOYSA-N 361.449 2.615 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCN(c2ncnc3ccccc23)CC1 72447823 RCAOHYRJTATHPR-UHFFFAOYSA-N 365.437 2.516 0 50 FFAA CCc1ccccc1N1C[C@H](C(=O)N2CCCC[C@@H]2c2ncon2)CC1=O 123374377 ONGHFRNZYRWSRP-NVXWUHKLSA-N 368.437 2.739 0 50 FFAA COCc1nc(NC[C@@H](c2sccc2C)N(C)C)c2cnn(C)c2n1 72126644 FHDCASKDDPGESP-ZDUSSCGKSA-N 360.487 2.594 0 50 FFAA C[C@@H](N[C@@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N(C)C)c1 173362544 HBSQCBLXAZIOHK-PBHICJAKSA-N 360.479 2.591 0 50 FFAA Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cnc2ccnn12 72142042 SHIWRENZHPOPBM-MRXNPFEDSA-N 367.428 2.571 0 50 FFAA O[C@@]1(CN2CCCCC2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 77505970 VVHWARKSBCPYKE-HXUWFJFHSA-N 358.461 2.639 0 50 FFAA c1cc(Cn2ccnc2-c2cccc(-n3cccn3)c2)cc(-c2nnn[nH]2)c1 77376316 CTAHIKMCJAPXQX-UHFFFAOYSA-N 368.404 2.964 0 50 FFAA O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc2n(n1)CCCC2 333368061 YWIVWVUQUUVMAC-UHFFFAOYSA-N 356.407 2.853 0 50 FFAA Cn1cnnc1Sc1ccc(-c2nccn2[C@H]2CCc3[nH]ncc3C2)o1 77375763 ONDZRQKPPCEQLH-LBPRGKRZSA-N 367.438 2.876 0 50 FFAA CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 333541828 LFFODXBGUPPCRS-QZTJIDSGSA-N 364.511 2.501 0 50 FFAA O=C1CCN(c2ccccc2C(=O)N2CCC[C@@H]2c2ccccn2)C(=O)N1 72436083 VBSOVJVNNRJDPL-QGZVFWFLSA-N 364.405 2.505 0 50 FFAA C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)N[C@H]1CCCS(=O)(=O)C1 333799490 XXFXOPBEPNSNMM-WMZOPIPTSA-N 368.474 2.510 0 50 FFAA O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 128620267 LPSFJSFQQZJLSM-ZDUSSCGKSA-N 367.327 2.970 0 50 FFAA CCc1nc(C)c(CC(=O)N2CC[C@@H](c3ccccc3Cl)C2)c(=O)[nH]1 219404824 CYLIYJOSFJKEJS-CYBMUJFWSA-N 359.857 2.853 0 50 FFAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN([C@@H]2CCCNC2)CC1 72422037 JCNTUGDFUJCWNI-GOSISDBHSA-N 354.450 2.890 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2c(-n3cnnn3)sc(C)c2C)cc1 40282844 VQXYPYTWHSGYKT-UHFFFAOYSA-N 356.411 2.551 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)CC2 426500357 XJIZKFVCEJQDPY-AWEZNQCLSA-N 359.451 2.645 0 50 FFAA Cc1nc(CNC(=O)c2cccc(-c3nccn3C)c2)nc2c1CCCC2 426618048 BNCDGVMNZUTGFQ-UHFFFAOYSA-N 361.449 2.994 0 50 FFAA CCCCOC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82097910 RNZTVOXFLQTFKD-LJQANCHMSA-N 362.474 2.594 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccc3nn(C)nc23)s1 426635601 WDCKIAOIQBBHFC-UHFFFAOYSA-N 372.498 2.934 0 50 FFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cnc2c(c1)nnn2C 287123116 WLERXCSIZABXEM-GUYCJALGSA-N 365.437 2.985 0 50 FFAA O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220648145 IGPQFGFDHICDLX-HZPDHXFCSA-N 361.829 2.771 0 50 FFAA CCc1cc(N2CCC(NC[C@H]3COc4ccccc4O3)CC2)nc(C)n1 95499156 OOIDTZZGVGWYLK-SFHVURJKSA-N 368.481 2.746 0 50 FFAA Cc1nn(CCNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c(C)c1Cl 92107881 VAKIGALIZWAWCC-CYBMUJFWSA-N 364.808 2.535 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cnc3c(C)cccn13)C2 91707772 IPPRDSCIYOJVMP-HNNXBMFYSA-N 351.406 2.519 0 50 FFAA Cc1cc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)c(=O)n(C)c1C 97784715 FQDMGEIRYNYHLJ-IBGZPJMESA-N 367.493 2.644 0 50 FFAA CCCc1cc(N2CCC(NCCn3cc(Cl)cn3)CC2)nc(C)n1 96148201 IPPPSIISGCCXNU-UHFFFAOYSA-N 362.909 2.846 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)c1cnc(-c2ccccn2)nc1O 91664238 RJAHQIQFIBKNPT-UHFFFAOYSA-N 373.416 2.971 0 50 FFAA CCOc1ccccc1[C@@H](C(=O)O)N1CCC(O)(c2cccnc2)CC1 95365970 HMBCIBVCIHZYJH-SFHVURJKSA-N 356.422 2.590 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1 92020277 SIDKHFLJSQTMLG-LSDHHAIUSA-N 367.877 2.716 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CN(C)Cc1ccc(F)cc1)C2 91680723 FOFJDPJUJHXNPI-MRXNPFEDSA-N 372.440 2.634 0 50 FFAA CCc1cc(N2CCC(NCCc3ccc(O)cc3)CC2)nc(N(C)C)n1 95518707 STOOUIGFFCNMEX-UHFFFAOYSA-N 369.513 2.612 0 50 FFAA O=C1CCCN1Cc1cccc(CNc2ncnc3c2ncn3C2CC2)c1 292524506 VGNSJBANSOJZTE-UHFFFAOYSA-N 362.437 2.896 0 50 FFAA Cc1ccccc1-n1nc(-c2ccncc2)nc1[C@@H]1CCCN(C(N)=O)C1 95522955 MRFJKGVXGIUMJU-MRXNPFEDSA-N 362.437 2.896 0 50 FFAA COC[C@H]1CN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CCO1 295099862 XEMSWIOUQWHAFZ-CYBMUJFWSA-N 369.393 2.652 0 50 FFAA O=C(O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1CCOC1 299751677 RGNRQOFYGHKXQZ-NSHDSACASA-N 360.237 2.876 0 50 FFAA O=C(NC1CCCC1)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O 299771980 YVGRNAPDNYGDGG-UHFFFAOYSA-N 371.481 2.918 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN(C4CCOCC4)C3)c2)n[nH]1 827733229 QDVGGMIDGRLTQI-INIZCTEOSA-N 369.469 2.610 0 50 FFAA COc1ccccc1-c1ncc(CN2CCN(CCSC)CC2)cn1 952984142 ZZEXRXMXHVHYDM-UHFFFAOYSA-N 358.511 2.633 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H](Cn1ccnc1)c1ccccc1 952971912 RBTGTXNTLPYRRL-HXUWFJFHSA-N 363.465 2.975 0 50 FFAA CN1CC[C@H](NC(=O)N2CCC(F)(F)CC2)[C@H](Cc2ccccc2)C1 1565527089 ZFDWIQCOSRYCDN-SJORKVTESA-N 351.441 2.990 0 50 FFAA C[C@@](O)(CC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 272757049 PMSFPARJOWLBKS-FOIQADDNSA-N 355.438 2.951 0 50 FFAA Cc1nscc1-c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 274012850 RPRXYWFRECIAJL-UHFFFAOYSA-N 356.455 2.705 0 50 FFAA Cc1nnc([C@H](C)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)o1 279292638 LGKGEARTAOHHGQ-UBHSHLNASA-N 353.467 2.748 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccccc1-n1ccnn1 189632538 SRVVRDZFYOOXDA-OAHLLOKOSA-N 365.412 2.757 0 50 FFAA Cc1cc(-c2ncccc2NC(=O)N[C@H]2CCc3ncnn3C2)cs1 190431416 ZKQGDIGUNDJXDW-ZDUSSCGKSA-N 354.439 2.847 0 50 FFAA COc1ccccc1Nc1ccccc1C(=O)N[C@H]1CCc2ncnn2C1 192926382 XSGVLKADSCVNSS-AWEZNQCLSA-N 363.421 2.775 0 50 FFAA Cc1cccc2c1CCN(C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1)C2 777576040 LGFZDYDQAYBJAH-FQEVSTJZSA-N 359.491 2.664 0 50 FFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CCc3sc(-c4ccncc4)nc3C1)C2 1775981716 DEXUZCRKSQXRRW-AFIMGQEJSA-N 368.506 2.506 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(Cc2ccc(O)nc2)CC1 1772711368 TVKJAFWMTUGVDV-UHFFFAOYSA-N 356.470 2.551 0 50 FFAA O=C(COc1ccc(N2CCCC2)nn1)N[C@@H]1CCCc2ccccc21 12042814 AQSJDRMFRHLCTB-QGZVFWFLSA-N 352.438 2.649 0 50 FFAA CCn1nc(C)c(CN[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1C 12072482 LBPQDOAGDKTQQM-GOSISDBHSA-N 358.461 2.592 0 50 FFAA C[C@H](C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)N1CCCC1=O 12445799 LKNOBENEISRRLW-GFCCVEGCSA-N 372.856 2.626 0 50 FFAA CN(Cc1ccsc1)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 14731277 CAYAQLZASVWSRO-HNNXBMFYSA-N 358.511 2.707 0 50 FFAA COc1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3)C2=O)cc1 18116307 MBXXEZUYTNFOFM-KRWDZBQOSA-N 358.825 2.813 0 50 FFAA COc1cc(CN2CCN(Cc3ccccc3F)CC2)cc(OC)c1O 19842411 UVMCGDAACCVAOK-UHFFFAOYSA-N 360.429 2.866 0 50 FFAA CCOC(=O)[C@H]1OC2(O[C@@H]1C(=O)OCC)c1ccccc1-c1ccccc12 169454025 UPMROZOSXABACL-ROUUACIJSA-N 368.385 2.778 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2CNCc2c[nH]nc2-c2ccc(F)cc2)cn1 1857531882 JFRAWUQYSCOFHM-KUHUBIRLSA-N 355.417 2.817 0 50 FFAA CCOCCC(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857699886 CDYNOHYNKNZHFU-FQEVSTJZSA-N 361.486 2.713 0 50 FFAA COc1ccc(C2(CN3CCn4nc(C(=O)O)cc4C3=O)CCCC2)cc1 1875247067 WYXUXVDMVSQAGQ-UHFFFAOYSA-N 369.421 2.558 0 50 FFAA N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2560767 UZQSWMYLYLRAMJ-SFHVURJKSA-N 354.406 2.717 0 50 FFAA in-vitro Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 3452631 KVLMLBXPAYFIMZ-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O 4521277 QYYCZJUFHDLLOJ-AWEZNQCLSA-N 366.414 2.671 0 50 FFAA biogenic,in-vitro CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 237129795 JSUJFWXJSXFZID-OLZOCXBDSA-N 359.253 2.572 0 50 FFAA CC1(C)CN(C(=O)NCc2nc(C(C)(C)C)n[nH]2)Cc2ccccc2O1 333647752 UFDKFRMQLCTMAJ-UHFFFAOYSA-N 357.458 2.985 0 50 FFAA Cc1ccc(CNC(=O)[C@@H](C)N2CC[C@@H](CNc3ccccn3)C2)cc1 246102934 IAXLKALBVPYNIM-MJGOQNOKSA-N 352.482 2.829 0 50 FFAA Cc1ccc(C)c(N2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)c1 136646671 JLBLHCZUUWVYAU-UHFFFAOYSA-N 356.514 2.762 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccn2)C3)c1C 253477455 FXGKBQDLXFEWDW-HKUYNNGSSA-N 367.497 2.733 0 50 FFAA COC(=O)c1cncc(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)c1 804520204 JTGJBRACJBCOSP-IBGZPJMESA-N 368.433 2.762 0 50 FFAA C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)CCC(=O)N1CCC(O)CC1 922964985 MPIJRTLXQCFOPY-VQIMIIECSA-N 372.509 2.933 0 50 FFAA COc1ccc([C@@H](O)C2CCN(c3nc4cnccc4n3C)CC2)cc1 865820738 CSAJFNPEVWNLOV-LJQANCHMSA-N 352.438 2.927 0 50 FFAA CCc1nc(CN2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)n[nH]1 952886718 ACXNGIUOFMWDFA-KRWDZBQOSA-N 366.469 2.743 0 50 FFAA O=C1C[C@H](CNC(=O)c2ccc(-c3ccccn3)nc2O)c2ccccc2N1 1875263317 YNDSFKJTSUSIFX-CYBMUJFWSA-N 374.400 2.705 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCCN3CCN(C)C3=O)ncnc21 2100483905 ZROQQIUZGWXYDJ-UHFFFAOYSA-N 373.505 2.604 0 50 FFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC2(CC1)CS(=O)(=O)C2 2325767925 QHBBFSOMZDNFOL-BRWVUGGUSA-N 371.543 2.501 0 50 FFAA O=C(Cc1ccc2c(n1)NCCC2)N1CC[C@H](c2ccc3cccnc3n2)C1 2325801723 TUHJWRSAPJDHIX-KRWDZBQOSA-N 373.460 2.942 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 794630 XLQUTUSBPFBIPN-DLBZAZTESA-N 356.422 2.918 0 50 FFAA C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 979737 OHKSTJUHZYJQQT-ZDUSSCGKSA-N 366.870 2.811 0 50 FFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccccc2)cc1 1157718 KESAZAUAPMRFDB-UHFFFAOYSA-N 374.462 2.559 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)Nc1cc(-c3ccccn3)nn1C)C2 2356134611 ULHWZLRXSSCWPN-CQSZACIVSA-N 364.405 2.681 0 50 FFAA CSC(C)(C)[C@H](N)C(=O)N1CCC2(CC1)OCCc1sccc12 2356142841 KFRCNHNWEKWZTD-CQSZACIVSA-N 354.541 2.607 0 50 FFAA COc1cccc2c1C1(CCN(c3cncc4nccn34)CC1)OCC2 2356146290 ZISKZLXFSPUAFV-UHFFFAOYSA-N 350.422 2.806 0 50 FFAA COc1cc(OC)c([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1OC 2469419 DOQGOLXSMIOBGD-SNVBAGLBSA-N 357.362 2.915 0 50 FFAA CN(C(=O)c1nc2ccc(Cl)cn2c1F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356151340 DTIKRFIPVQYHJG-NIFPGPBJSA-N 351.809 2.748 0 50 FFAA COCCN1CCC[C@]2(CCCN2CCCOc2ccc(F)cc2)C1=O 2356161023 CLCRPBKXYUZECA-FQEVSTJZSA-N 364.461 2.698 0 50 FFAA COC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10314260 IALXQVGOUDBYMK-CQSZACIVSA-N 362.451 2.561 0 50 FFAA Cc1ccc(NC(=O)N2CCc3ccccc3C2)cc1NS(C)(=O)=O 110075132 XOWFYNRBUXUJIT-UHFFFAOYSA-N 359.451 2.957 0 50 FFAA CC(C)n1cnnc1C1CCN(C(=O)c2cc(F)cc3nccnc23)CC1 110749030 RSXFGEWJQCNPEE-UHFFFAOYSA-N 368.416 2.961 0 50 FFAA O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100599150 PALHJXZCKYUWFS-LSOMNZGLSA-N 374.396 2.956 0 50 FFAA Nc1cc(C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)ccn1 67561568 GIKDWKPHGCBGOE-UHFFFAOYSA-N 361.449 2.998 0 50 FFAA CC[S@@](=O)CCc1nc(CC(C)C)nn1-c1ccc2c(c1)OCCO2 65383492 JCESBDGEMSHYSK-VWLOTQADSA-N 363.483 2.548 0 50 FFAA O=C(CCN1CCC(N2C(=O)Cc3ccccc32)CC1)Nc1nccs1 65508186 AYUPGNXUVTYRKI-UHFFFAOYSA-N 370.478 2.525 0 50 FFAA Cc1ccsc1CCNC(=O)C1(Oc2cccnc2C)CCNCC1 65463807 SFOYDTPTMDRXFJ-UHFFFAOYSA-N 359.495 2.620 0 50 FFAA O=C(O)CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 139244638 FTAHKNJFWRCLTG-CVEARBPZSA-N 370.380 2.974 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)NC(=O)CCc2c(C)nn(C)c2C)c(F)c1 65371080 KNGRLTKMPWEFCD-ZDUSSCGKSA-N 360.433 2.560 0 50 FFAA COc1ccc(C(C)(C)C(=O)NS(=O)(=O)c2cncc(Cl)c2)cc1 119238141 QFTGPQXLUSOXDP-UHFFFAOYSA-N 368.842 2.526 0 50 FFAA CC(C)(Oc1cccc2ccccc12)C(=O)N1CCc2c(nc[nH]c2=O)C1 71753202 VPRGSBLIVXVUFA-UHFFFAOYSA-N 363.417 2.665 0 50 FFAA COc1ccc(F)c(F)c1CN1CCC([C@@H](C)N2CCN(C)CC2)CC1 77344188 YQLVAEHDJAUSHI-OAHLLOKOSA-N 367.484 2.821 0 50 FFAA Cc1c(Br)c(C(=O)N[C@@H](C)CN(C(C)C)C(C)C)nn1C 2780835 HEPLMUMWNJRJQM-NSHDSACASA-N 359.312 2.728 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 121349250 HVUNNNXXBFUPGG-IBGZPJMESA-N 363.392 2.735 0 50 FFAA CC(C)N1C[C@@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1=O 77470840 BAVFFVFPBGQHLU-AWEZNQCLSA-N 364.873 2.967 0 50 FFAA CN(CCC[C@H]1CCCO1)c1nc(-c2cccnc2)nc2c1cnn2C 72123963 KEDJJORREUMLMB-HNNXBMFYSA-N 352.442 2.821 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 363523519 OVCFLLKYQGDMGZ-INIZCTEOSA-N 371.824 2.691 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 72133061 TYJHTRQVQPSGQZ-UHFFFAOYSA-N 357.841 2.738 0 50 FFAA CCn1ccnc1CN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@@H]1CC12CCNCC2 261706285 JPFZNAODBAHMLJ-OKZBNKHCSA-N 374.529 2.721 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)cc1Cl 72148812 TWURPFYRQLHIBA-QGZVFWFLSA-N 352.818 2.796 0 50 FFAA CCN(C)Cc1cc2n(n1)CCN(Cc1cnn(-c3cccc(F)c3)c1)C2 72407202 ILGDFDMEQLQBKH-UHFFFAOYSA-N 368.460 2.675 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1 71747585 DQBNFYDIHHWMJB-HXUWFJFHSA-N 363.421 2.576 0 50 FFAA COc1cccc(CN2CC3(CCN(C(=O)c4ccc[nH]4)CC3)CC2=O)c1 77354661 VQGLIAHHNBWHFK-UHFFFAOYSA-N 367.449 2.678 0 50 FFAA CCCn1nccc1C(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2)C1 72433801 KHRBNJWMGFIRHX-QGZVFWFLSA-N 356.470 2.696 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2)n1 220753453 WWDBEUHPDTYWAM-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA Nc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)cn1 82087760 ZDBVDLXVNMNBSZ-SFHVURJKSA-N 361.449 2.928 0 50 FFAA C[C@@H]1CCc2n[nH]c(C(=O)N3CCN(c4ccccc4Cl)C(=O)C3)c2C1 82148355 QSRGVSZLRSUCTF-GFCCVEGCSA-N 372.856 2.677 0 50 FFAA CCc1nsc(N2CCCN(C(=O)c3cc(-c4ccco4)on3)CC2)n1 175680288 GCVHQAIFCOEHIQ-UHFFFAOYSA-N 373.438 2.701 0 50 FFAA COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1 43199551 NETXMUIMUZJUTB-UHFFFAOYSA-N 370.405 2.595 0 50 FFAA investigational Cc1sc2nc(CNC(=O)c3ccc(C(C)C)n(C)c3=O)cn2c1C 426493190 NFXQUBZRPJQBIA-UHFFFAOYSA-N 358.467 2.765 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1 82096641 VOCLOZZQFQZFGH-GOSISDBHSA-N 355.438 2.936 0 50 FFAA Cc1ccc(Cl)c([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95389404 KCCWTQAMRCAPHU-SFHVURJKSA-N 359.857 2.987 0 50 FFAA O=C(NCc1ccc(Cl)s1)NC1CCN([C@H]2CCCC[C@H]2O)CC1 178656916 JDGPLADXFNXLBQ-LSDHHAIUSA-N 371.934 2.969 0 50 FFAA Cc1cccnc1C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)C(=O)C1 426548445 FKOQVEABVDNSSU-MRXNPFEDSA-N 358.486 2.508 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(O)c(C)c1)CC2 95498387 YUIMJCBVPROMOP-UHFFFAOYSA-N 368.481 2.823 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1CCOc2ccccc2C1 95504764 YPHLTUCKLHDJBZ-CQSZACIVSA-N 367.371 2.968 0 50 FFAA CSc1ncccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95360725 FJJMAGOPWPOZOA-OAHLLOKOSA-N 373.526 2.581 0 50 FFAA CC(C)Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)on1 426618073 DZJZTDDRBDMFKZ-FQEVSTJZSA-N 359.470 2.738 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 91305404 XGNZGVKABNBTPE-RBUKOAKNSA-N 364.493 2.884 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)N1CCCC[C@@H]1CCn1ccnc1 91441718 FEMJEOJSFVDFMQ-OAHLLOKOSA-N 369.425 2.930 0 50 FFAA CN(CC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1)Cc1ccccc1F 95380188 JBZDOPNESAFYJK-GOSISDBHSA-N 370.468 2.841 0 50 FFAA Cc1cccc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)c1 95374807 KOFIVINQRLLFTB-UHFFFAOYSA-N 364.449 2.648 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3cccn3C)n[nH]1)CC2 91427136 BVUZXOYTPSCZDQ-UHFFFAOYSA-N 366.421 2.631 0 50 FFAA Cc1ccsc1CN(CCO)C(=O)[C@H](c1cccc(F)c1)N(C)C 95380029 VPWUPVHCTXHWQB-KRWDZBQOSA-N 350.459 2.819 0 50 FFAA CC(C)[C@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)c2ccccc2N1 294796958 BEESVMMWXLTWSA-GOEBONIOSA-N 350.484 2.685 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)Cc2nc(C)sc2C)n1 252483452 FBVCVSPDTDYBHV-CQSZACIVSA-N 364.471 2.628 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nc(C2CCCC2)no1 299744584 PHFMUJDIPFZISY-KFWWJZLASA-N 361.442 2.904 0 50 FFAA CCCCN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299781174 VOQVFCOFIGIITR-IBGZPJMESA-N 364.461 2.696 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cccnc1N)CC2 299798117 PRMMZJFQDLZCRS-FUHIMQAGSA-N 354.454 2.650 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NC[C@@H]3CCCO3)CCCCC2)cc1 299779600 RCWBWNKXZPIMSK-INIZCTEOSA-N 365.495 2.587 0 50 FFAA COc1ccccc1Cc1nc([C@@H]2CCCN2C(N)=O)n(C(C)(C)C)n1 824821864 LUIYHGUMTMHIGI-AWEZNQCLSA-N 357.458 2.848 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1NC(=O)N(C)C 1565531091 PPVJMOVAEYLXEO-SJORKVTESA-N 356.470 2.546 0 50 FFAA Cn1ccnc1CN(CCO)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 1565525830 GLELSKHHDOZPTF-MSOLQXFVSA-N 356.470 2.650 0 50 FFAA CCc1nn(C)c(Cl)c1-c1c(C#N)c(N)nc2c1[C@@H]1CC[C@H](C2)N1C 75996042 XVCTWROPDCIKAI-RNCFNFMXSA-N 356.861 2.843 0 50 FFAA COC(=O)c1ccc(OCC(=O)Nc2ccnn2C2CCCC2)cc1OC 170611062 LGNBOIIUCRILDH-UHFFFAOYSA-N 373.409 2.811 0 50 FFAA CC(C)COc1ncccc1C(=O)N1Cc2cnnn2Cc2ccccc21 190446031 FQAMIFICOWAWSL-UHFFFAOYSA-N 363.421 2.917 0 50 FFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1C 1506425574 PRCLRFJZTJAECD-OAHLLOKOSA-N 352.500 2.548 0 50 FFAA Cc1nn(C)cc1NC(=O)CN(CCc1ccccc1)Cc1ccccn1 1506426932 JSKWRGGQICDIFI-UHFFFAOYSA-N 363.465 2.807 0 50 FFAA O=C(c1ccnc(N[C@@H]2COC[C@H]2Cc2ccncc2)c1)N1CCCCC1 1704325940 PJBPOXGIHGFHRZ-RTBURBONSA-N 366.465 2.772 0 50 FFAA O=C(CC1CCCCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704339392 RZUMVDKRGIGHMX-GHTZIAJQSA-N 359.466 2.864 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)NCc3cccnc3)n[nH]2)c1 11817155 XRKXJVVTHOAJEA-UHFFFAOYSA-N 350.378 2.516 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cn(CC2CCCCC2)nn1 11818275 BWXSFHHKFICOJD-MRXNPFEDSA-N 370.453 2.770 0 50 FFAA O=C(CCc1nc2ccccc2s1)N[C@H]1CCCN(c2ncccn2)C1 12456299 ICWFWKDWXGCDEW-AWEZNQCLSA-N 367.478 2.804 0 50 FFAA Cc1ccc(C(=O)N2CCC(=O)N(CCOc3ccccc3)CC2)s1 14984157 CPPAWRWVVJJTOV-UHFFFAOYSA-N 358.463 2.810 0 50 FFAA COc1ccc(OC)c(NC(=O)c2nnn(-c3cc(C)ccc3C)c2N)c1 16649752 LUVNDEVWFOWQDA-UHFFFAOYSA-N 367.409 2.736 0 50 FFAA CC[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1cccc(OC)c1 18191186 KKJHJZQSTAVARE-HNNXBMFYSA-N 359.451 2.777 0 50 FFAA CCOC(=O)[C@@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 169293348 XECIQQVBKABCHR-ZLKJLUDKSA-N 363.357 2.606 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669643 DUJFOCIGKKTGBM-SIKLNZKXSA-N 365.429 2.846 0 50 FFAA COc1nc2c(cc1-c1nccn1-c1c(C)n[nH]c1C)C(=O)N(C(C)C)C2 1857689442 DJMRDEKEPLRYIA-UHFFFAOYSA-N 366.425 2.647 0 50 FFAA C[C@H](CCn1ccnc1-c1cc2ccccc2n(C)c1=O)N1CCOCC1 1857703287 PKXVHYSKTAHOMB-MRXNPFEDSA-N 366.465 2.513 0 50 FFAA Cc1ccc2ncc(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)n2c1 328647279 TWQXWVMUCKZSGV-LAUBAEHRSA-N 366.513 2.891 0 50 FFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@@H](Cc1ccccc1)c1ccccc1 238093794 CGYIKPPFNADDOF-RBUKOAKNSA-N 352.434 2.636 0 50 FFAA Cc1nnc(-c2ccc(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)cc2)[nH]1 131893236 OHYBTIHFGACWOM-UHFFFAOYSA-N 359.393 2.828 0 50 FFAA CN(C)C(=O)c1cccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1 158091523 UDGRUEZEKZEXEZ-JOCHJYFZSA-N 364.445 2.703 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)NCc1c(Cl)cccc1-n1ccnc1 833060873 AURPWSUXWIBMDX-UHFFFAOYSA-N 369.856 2.987 0 50 FFAA C[C@H]1CN([C@@H](C)CO)CCN1Cc1cccc(Br)c1Cl 1875379554 VZRLOTMCTRYUHA-RYUDHWBXSA-N 361.711 2.989 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(C(=O)c3cc4cccc(C)c4o3)C2)n1 886096706 OWPXUWXTXBKJDP-LJQANCHMSA-N 355.394 2.642 0 50 FFAA COc1ncc(CNC(=O)N2CCC[C@@H](OC3CCC3)C2)cc1Cl 888093921 HVXXPZMYJWMRSM-CQSZACIVSA-N 353.850 2.987 0 50 FFAA Cc1cccc([C@@H](CO)N2CCN(Cc3c[nH]c4cnccc34)CC2)c1 2325788999 ZQBOSOXFKSPHMF-OAQYLSRUSA-N 350.466 2.723 0 50 FFAA C[C@@H](CN=c1cc(Br)nc[nH]1)N1CCc2sccc2C1 2325866888 CZGFNGNTTLUAOU-JTQLQIEISA-N 353.289 2.581 0 50 FFAA O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H](c2ccn[nH]2)C1 114931233 XZIGXIGGUFNJLM-INIZCTEOSA-N 350.426 2.685 0 50 FFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1C(=O)O 4845845 VCDGKZQDNVKERD-UHFFFAOYSA-N 372.764 2.663 0 50 FFAA NC(=O)COc1ccccc1CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 55386401 ZSHBUWLBZUFJKZ-LJQANCHMSA-N 372.440 2.871 0 50 FFAA Cc1cccc(-n2ccnc2CN2CCC[C@@H](N(C)CCN(C)C)C2)c1 20600641 RPRXPELAMFJFJQ-HXUWFJFHSA-N 355.530 2.639 0 50 FFAA O=C(CCn1cnc2ccccc21)NC1CCN(Cc2cccnc2)CC1 177646209 QDYMFJZCOSEZDU-UHFFFAOYSA-N 363.465 2.602 0 50 FFAA CC(C)(N)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67854816 FPHVMHFPTNUIFD-UHFFFAOYSA-N 353.401 2.631 0 50 FFAA NC(=O)c1ccc(N2CCC(n3cc(C4CCCCC4)nn3)CC2)nc1 23478810 WYIDVJQJPQBTBH-UHFFFAOYSA-N 354.458 2.661 0 50 FFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C2=O 249248467 WLASPPYSLNDXDL-IHGORAQCSA-N 365.380 2.650 0 50 FFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 21793614 NDTFESJUEYPAPC-UHFFFAOYSA-N 357.502 2.614 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2ccccn12 20737609 PTXQGXFZEGJIQU-CQSZACIVSA-N 352.394 2.975 0 50 FFAA CN1CCCn2nc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cc2C1 67723773 NGFZBUYACQESEB-UHFFFAOYSA-N 355.417 2.611 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO 36385779 YGWXSXSOLSACMZ-HXUWFJFHSA-N 356.514 2.787 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc2sccn2c1=O 72475243 MVRNLEXMTPKVPH-UHFFFAOYSA-N 366.402 2.683 0 50 FFAA Cc1nnc([C@H](C)Nc2nccc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)s1 328624810 CPFCQIIWGWJNRV-NJZAAPMLSA-N 362.503 3.425 0 50 FFAA CCc1ccccc1CN1CCC2(CC1)C[C@H](C(=O)O)N(C(=O)C1CC1)C2 72429534 MVFKMOLWTUPDPQ-LJQANCHMSA-N 370.493 2.927 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@H](CO)C3)c2c1 77504739 ICQAPAQQFIHCPW-KRWDZBQOSA-N 355.482 2.540 0 50 FFAA CCN(CC)CC1CCN(C(=O)c2cc(C)ccc2-n2cnnc2)CC1 435886792 BNBUTGJWDKOPJH-UHFFFAOYSA-N 355.486 2.770 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@@H](C)n3ccnc3)CC2)OC1=O 77393204 DBJCRCTXQXSVKF-MRXNPFEDSA-N 362.474 2.838 0 50 FFAA O=C(c1ccccc1COC1CCOCC1)N1CCC[C@H](c2nc[nH]n2)C1 330175688 JILGGKXYUGYJHK-HNNXBMFYSA-N 370.453 2.520 0 50 FFAA Cc1ccc(Nc2ccc(NCCNC(=O)c3cccc(F)c3)nn2)nc1 72434274 NUBWSXGWULEENQ-UHFFFAOYSA-N 366.400 2.905 0 50 FFAA CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)CC2 332589589 LHCBSEWQZOFELV-ODCWNRFASA-N 360.483 2.880 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)CCc2nc(-c3ccccc3)no2)n1 77471570 WQRWGCVBTOJOFI-AWEZNQCLSA-N 367.409 2.978 0 50 FFAA Cc1noc(C)c1NC(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72418276 SWMDXTJDIUPUSU-UHFFFAOYSA-N 359.382 2.822 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(CCO)Cc2ccc(C)s2)cn1 215658363 WQOHTIWLQPPQSJ-UHFFFAOYSA-N 371.462 2.886 0 50 FFAA C[C@H](NC(=O)CN(Cc1cccnc1)C1CCN(C)CC1)c1ccccc1 72122328 KLKRQDRCZWTKMD-SFHVURJKSA-N 366.509 2.855 0 50 FFAA Cn1ncnc1[C@@H]1COCCN1Cc1csc(-c2ccccc2F)n1 284789114 NXFTYHXFGXFUJV-HNNXBMFYSA-N 359.430 2.651 0 50 FFAA C[C@@]1(CNC(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CCCC[C@@H]1O 241587786 OXFJLPYFFGZVOI-BHYGNILZSA-N 359.388 2.970 0 50 FFAA CN(C(=O)c1cc2c(nc1O)CCCCC2)c1ccc(OCC(=O)O)cc1 263165896 VUEICSGESRIGBE-UHFFFAOYSA-N 370.405 2.796 0 50 FFAA CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N[C@H]1CCCC[C@H]1C 241684843 QFQUATZKECSLBY-CJNGLKHVSA-N 367.440 2.920 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 174800838 KMEFZLGSZZBZTQ-KRWDZBQOSA-N 368.485 2.839 0 50 FFAA Cc1ccc(CNC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)s1 220152667 AJVYNIRAAXSDES-UHFFFAOYSA-N 359.430 2.946 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1=O 82116214 TUICJMLZTHXAHQ-AWEZNQCLSA-N 374.387 2.916 0 50 FFAA COc1ccc2cc(C(=O)N3CC[C@]4(OC)CC[C@H](OC)C[C@H]34)n(C)c2c1 426549845 AAQRCMNEEXDWNL-NBHGPNQESA-N 372.465 2.986 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192141878 KHBUWRLEUCNXLN-LJQANCHMSA-N 372.557 2.677 0 50 FFAA C[C@H](NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cnn(C)c1 287340861 FISWYTUAPUTUGH-VLQPXKRTSA-N 354.454 2.695 0 50 FFAA CC(=O)c1ccccc1-c1cccc(C(=O)NC[C@H]2CN(C)CCN2C)c1 426525992 FNASBANPAUVDEF-IBGZPJMESA-N 365.477 2.532 0 50 FFAA CN(CCc1noc(C(F)(F)F)n1)C(=O)CCC(=O)c1ccccc1 426489379 PDBVZGJTDPVYPI-UHFFFAOYSA-N 355.316 2.752 0 50 FFAA Cc1cccc(OC2CCN(C(=O)[C@H]3CCCN3C3CCNCC3)CC2)c1 82097609 WWAJCYHBCYOPME-OAQYLSRUSA-N 371.525 2.581 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)o1 426419660 BPUJYGQTNWTSBR-ZDUSSCGKSA-N 371.466 2.763 0 50 FFAA Cc1nc([C@H](C)NC(=O)N(C)CCCOc2ccc(Cl)cc2)n[nH]1 426414658 OJYWBHVXWOFTDH-NSHDSACASA-N 351.838 2.938 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)cc1 95366528 QXZPJNQEMHINKR-SFHVURJKSA-N 356.466 2.629 0 50 FFAA CC[C@@H](C)c1ccc(NC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1 97514964 HSNBBZRZCYEZRC-OAHLLOKOSA-N 369.469 2.648 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 91562872 GQGDOYZTZRJTED-IRXDYDNUSA-N 359.429 2.627 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)N[C@H](CO)Cc1ccccc1 426506627 KKTCLSMKBOTHJV-IBGZPJMESA-N 371.456 2.697 0 50 FFAA CCCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)o1 92022588 FUACYDDJIGKAMT-NRFANRHFSA-N 361.530 2.998 0 50 FFAA Cc1cnn(CC2CCN(C(=O)Cn3sc4ccccc4c3=O)CC2)c1 95510867 NPTLVZUXUFSEPW-UHFFFAOYSA-N 370.478 2.507 0 50 FFAA COCCN(C)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426627859 WBIKQSXKHMBTBU-UHFFFAOYSA-N 363.483 2.630 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(c1ncnc3ccsc13)CC2 91724389 OZCBAXBUXNIARV-UHFFFAOYSA-N 374.510 2.937 0 50 FFAA CC(C)Nc1ncc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)cn1 97638083 KUIZYVKWFWICCA-GOSISDBHSA-N 368.485 2.649 0 50 FFAA Fc1cccnc1N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91526855 YKMCUTOOIJZNSH-UHFFFAOYSA-N 367.432 2.776 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 237642775 HRYVLPAAMKWHIB-QGZVFWFLSA-N 351.830 2.711 0 50 FFAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CCN([C@H]3CCNC3)CC2)c1 244691624 JGDYQCCBUGNFTI-SFHVURJKSA-N 373.541 2.782 0 50 FFAA C[C@H](NC(=O)[C@H]1CCC[C@H]1N)c1cc2c(cc1Br)OCCO2 299739846 RYBCAXXGVJLTJT-OUJBWJOFSA-N 369.259 2.525 0 50 FFAA CCNc1ccc(-c2ccc(C(=O)NCc3nnc(CC)s3)cc2)nn1 534634941 JXVHMZKQCCUPJM-UHFFFAOYSA-N 368.466 2.919 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CN1CC=C(c2cnn(C)c2)CC1 65371775 DTCZIFPRJGLKTQ-UHFFFAOYSA-N 350.466 2.797 0 50 FFAA O=C(Nc1ccc2[nH]nnc2c1)N1CCC[C@@H](OCc2ccccn2)C1 299784388 XCEAEIUXEQKEKF-OAHLLOKOSA-N 352.398 2.566 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NCc3cc(CC(C)C)no3)c2c1 821483307 CCEFODBHAXMHSN-UHFFFAOYSA-N 357.410 2.796 0 50 FFAA O=C(c1cncc(NCCN2CC[C@H](c3ccccc3)C2)n1)N1CCCC1 952990274 UKYFYUKNKOFGRU-SFHVURJKSA-N 365.481 2.614 0 50 FFAA CC(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1ccc(Br)cc1F 275315223 OHXICJITGVGSOQ-WKPIXPDZSA-N 373.266 2.765 0 50 FFAA CC1(C)[C@@H](O)C[C@H]1NC(=O)Nc1nnc(Cc2cccc(F)c2)s1 188905781 VIDRZHPIHSDEPA-NEPJUHHUSA-N 350.419 2.549 0 50 FFAA Cc1cnn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)c1 1529142364 MSCOSBFMWNQSPG-XLIONFOSSA-N 364.449 2.504 0 50 FFAA Cc1cc(C(=O)N2CCCN(C(=O)c3n[nH]c(C)c3Cl)CC2)c(C)o1 1529161487 KMEJKULIEREZRD-UHFFFAOYSA-N 364.833 2.570 0 50 FFAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 222040447 PTQBYPNGPXICAK-WBVHZDCISA-N 374.510 2.804 0 50 FFAA O=C(CSc1nncc(=O)[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 11905431 SYVAEOZLBXOOCV-UHFFFAOYSA-N 364.736 2.568 0 50 FFAA COc1cccc(CN2C[C@@H](C(=O)NCCc3ccc(C)o3)CCC2=O)c1 12303684 PIAZPTKABJFUJQ-KRWDZBQOSA-N 370.449 2.694 0 50 FFAA COc1cccc(C[C@@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)c1 12717434 GHDPCSGHORSFPK-QGZVFWFLSA-N 360.479 2.781 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)Cc2ccccc2)c1=O 14986665 CUHONWAUOGFQDL-UHFFFAOYSA-N 369.465 2.526 0 50 FFAA CC(C)=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCc3cccnc3)C2)C1 1857694616 GENXGOZMBVHZRE-IFMALSPDSA-N 371.525 2.656 0 50 FFAA Cc1cc(C)c(C)c(OCCC(=O)N(CCC(=O)O)C2CCOCC2)c1 328594837 CTMCGBGTTPLLAR-UHFFFAOYSA-N 363.454 2.863 0 50 FFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C[C@@H]1CCCCO1 328623469 JFBADNAHNFQNBB-OLZOCXBDSA-N 359.392 2.882 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc(Br)cc1 238149905 OFVZEKGKGQKNJG-WCQYABFASA-N 356.216 2.508 0 50 FFAA CCn1c(C2CC2)nnc1N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952888365 HMECFIZQFQQBSN-CABCVRRESA-N 353.474 2.801 0 50 FFAA C[C@H](Oc1ccccc1)[C@@H](C)NC(=O)N=c1ccn(Cc2ccncc2)[nH]1 1875264559 DDMPFPMDAGSTDZ-CVEARBPZSA-N 365.437 2.726 0 50 FFAA COCCOc1cccc(C(=O)N2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c1 886084987 RJDYOZIKQSHWJC-GUYCJALGSA-N 359.426 2.812 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c1 888102485 WRVJLUPYLSLZCD-SKDRFNHKSA-N 356.797 2.691 0 50 FFAA CCc1nn(C)c(NC(=O)c2cnc(C)nc2O)c1-c1ccc(F)cc1 2100483538 CJDZPXUFUBIASJ-UHFFFAOYSA-N 355.373 2.845 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)c1coc2c(F)cc(F)cc12 2325771397 KIPGOOCTZXLKOH-UHFFFAOYSA-N 373.359 2.873 0 50 FFAA FC(F)(F)c1ccc(-n2cc(CN[C@H]3CCc4nn[nH]c4C3)cn2)cc1 2325777601 NSIRUHYYEYBUAU-ZDUSSCGKSA-N 362.359 2.656 0 50 FFAA CC[C@]1(C)C[C@H]1C(=O)NC1(CNC(=O)C(C)(C)C2CCOCC2)CC1 2325793066 DMNURDBUAUOTDI-HNAYVOBHSA-N 350.503 2.640 0 50 FFAA CCn1nc(C(=O)N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)cc1C1CC1 2325794447 CBRUEBWVEHZDDA-IXDOHACOSA-N 372.513 2.747 0 50 FFAA CN1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)c2ccccc21 2325815513 WPAUMMIJXNYNIS-JFIYKMOQSA-N 354.454 2.965 0 50 FFAA O=C(Nc1ccccc1N1CCNCC1)c1cc(Cc2ccccc2)[nH]n1 2325858517 QIUATCAXINUHLV-UHFFFAOYSA-N 361.449 2.662 0 50 FFAA Clc1ccc(COc2cccc(N3CCNCC3)c2)c(-n2cncn2)c1 2325860497 JUKBZUQYJVJFFC-UHFFFAOYSA-N 369.856 2.909 0 50 FFAA Cc1ccc2ncc(C(=O)N(C)C[C@@H]3CCN(C(=O)C4CC4)C3)cc2c1 2325865054 LDISBGNVEXDEMT-HNNXBMFYSA-N 351.450 2.874 0 50 FFAA CCCCC(=O)N1CCc2ccccc2[C@H](NC(=O)CCCN(C)C)C1 2325867946 JVEIFQQOEARBBI-LJQANCHMSA-N 359.514 2.761 0 50 FFAA Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CC2)cc1 1094429 XGDVAALGANIHQV-UHFFFAOYSA-N 372.490 2.507 0 50 FFAA CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCCC1 1204141 BNIGUNCGYYEWCH-UHFFFAOYSA-N 358.463 2.889 0 50 FFAA COc1ccc(CN2C[C@@H]3CNC(=O)[C@@H]3C2)cc1OCc1ccccc1F 2356140761 PMQPELDWZXHMDY-DLBZAZTESA-N 370.424 2.591 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 2459171 ZPZXBSYRQXXUMN-LZQZEXGQSA-N 369.465 2.932 0 50 FFAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)Nc4ncccc4O)c(=O)n1c23 100663044 VJTRPQFKKYYOEQ-VIFPVBQESA-N 369.352 2.706 0 50 FFAA CCCN1CC(=O)N(CC2CCOCC2)C[C@@H](OCc2ccccc2)C1 20861776 ZCZJYKKPAJYRLU-FQEVSTJZSA-N 360.498 2.553 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@H]1c1nc(-c2ccncc2)no1 65396459 AQRLAZUXBMSQFW-INIZCTEOSA-N 355.442 2.671 0 50 FFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1CC1(c2ccccc2)CCOCC1 348780299 OOKPKJWGRGJIME-IBGZPJMESA-N 364.445 2.898 0 50 FFAA Cc1ccc(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c(C)c1 67601873 OCTJZOAZKYJNNE-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA C[C@H](OC[C@H]1CCCO1)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 251570223 UPTWBXKKHIEQIT-GVDBMIGSSA-N 366.527 2.660 0 50 FFAA COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C)CC1 20638879 GHUIEPBPKHTFLH-GOSISDBHSA-N 356.466 2.566 0 50 FFAA COC(=O)c1cn([C@@H](c2nc3ccccc3[nH]2)C(C)C)cc2c(O)nnc1-2 409415588 RADOJUSAYUVIOG-MRXNPFEDSA-N 365.393 2.997 0 50 FFAA COc1cc(CC(=O)N2Cc3cnc(CC(C)C)nc3C2)cc(OC)c1 67947755 GIXGMOSNUQTTDA-UHFFFAOYSA-N 355.438 2.777 0 50 FFAA Cn1c(=O)sc2cc(S(=O)(=O)Nc3cccc4cccnc34)ccc21 1424661 STBUPZIZOSYORS-UHFFFAOYSA-N 371.443 2.949 0 50 FFAA O=C(NCCCOc1cccnc1)c1cccc(CC2CCNCC2)c1 72167257 DUXZAWVIJOUDNT-UHFFFAOYSA-N 353.466 2.823 0 50 FFAA Cc1nc[nH]c1CN1CC[C@H]2N(Cc3cccs3)CCC[C@]2(CO)C1 72128211 CPTBUVOJNLWJAG-RTBURBONSA-N 360.527 2.629 0 50 FFAA CCCn1ccnc1CN1CCC[C@]2(CCC(=O)N(CCCOC)C2)C1 77459609 DTLRVJDRCHMWPT-FQEVSTJZSA-N 362.518 2.534 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc3ccc(C)cn23)cn1 328633172 LUUHSCAVNWSMSH-APWZRJJASA-N 352.442 2.809 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2ccc3ccccc3n2)n1 328646546 SREHULZIZYNQJQ-QGZVFWFLSA-N 363.421 2.847 0 50 FFAA O[C@H]1[C@H](NCCOCc2ccccc2)c2ccccc2C12CCNCC2 72165171 HGURDWUCWBVHDL-RTWAWAEBSA-N 352.478 2.530 0 50 FFAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NC1CCCCCCC1 12763685 AWYWCTJFPAMLOD-HXUWFJFHSA-N 371.525 2.915 0 50 FFAA COCCOCC(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 77375733 XPYNGBZISYRIIS-UHFFFAOYSA-N 357.454 2.754 0 50 FFAA CC(C)(C)NC(=O)COc1ccc(CN2CCC[C@H](C(C)(C)O)C2)cc1 215941265 KULDPDYDAIWKCW-KRWDZBQOSA-N 362.514 2.963 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc2c(c1)c1ccccc1n2C 219627912 KIYUHGOPUJGBEM-YLJYHZDGSA-N 352.434 2.794 0 50 FFAA CCc1ccc2oc(=O)cc(CN3CCC[C@H](N4CCCC4=O)C3)c2c1 71751366 UAQLEJMQESDSNG-KRWDZBQOSA-N 354.450 2.942 0 50 FFAA O=C1CN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@H]2CCCC[C@@H]2N1 332181801 VVNWNUQLOIIDOA-KBPBESRZSA-N 357.788 2.571 0 50 FFAA O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1ccon1 14981229 IUPRQKMSHMWHTF-FQEVSTJZSA-N 363.417 2.927 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Cc1c(C)[nH]c3c(C)ccc(C)c13)C2 72129008 CSJNJVCCUMPZPA-UHFFFAOYSA-N 364.449 2.612 0 50 FFAA Cc1ccc(-n2nnnc2N2CC[C@@H](OCc3csc(C)n3)C2)cc1 377177598 VICZKBXKEHOVNJ-MRXNPFEDSA-N 356.455 2.531 0 50 FFAA OC1CCN(c2nccc(C3(c4ccccc4Cl)CCNCC3)n2)CC1 72474558 UKBOODBQSAQDJJ-UHFFFAOYSA-N 372.900 2.761 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)s1 237997181 WEXTVJFMNUVCRW-GFCCVEGCSA-N 353.346 2.938 0 50 FFAA Cc1ccc(C)c(NC(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)c1 77428418 DMHGRYQNNVZBEP-UHFFFAOYSA-N 370.501 2.905 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(=O)[nH]1 77440088 NAOSCYLIFVETMW-NRFANRHFSA-N 371.481 2.506 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1 72439851 KNAZDJQESLICMY-SFHVURJKSA-N 358.482 2.617 0 50 FFAA Cc1nnsc1CNC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 222386892 UFQPZKGKRWPBSH-SFHVURJKSA-N 361.467 2.877 0 50 FFAA COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1 82109466 WPPWJKSBHKNQLI-OAQYLSRUSA-N 360.498 2.591 0 50 FFAA CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2ccc(Oc3cccnc3)cc2)no1 288909719 KNEQMUUUYVLXGD-WMLDXEAASA-N 366.377 2.578 0 50 FFAA COc1cccc(N2C[C@H](NC(=O)c3ccc4ncccc4c3)CC2=O)c1 223313364 AQZMDCUKOSNYSA-MRXNPFEDSA-N 361.401 2.779 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(-c2nc3ccccc3n2CCO)c1 426425507 URDVCAAHPZIAHC-QGZVFWFLSA-N 365.433 2.604 0 50 FFAA O=C(NC[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1C(F)(F)F 288302819 TXSQPFOZOLFZOW-SECBINFHSA-N 369.792 2.913 0 50 FFAA O=C(NCCc1nc(-c2cccnc2)no1)c1cnoc1-c1ccccc1 426690728 RTUDAQMXPTVBFE-UHFFFAOYSA-N 361.361 2.759 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@@]23C=C[C@H]1O3 226723806 BMUQWGQUKLMRNI-NNFUDEMPSA-N 361.825 2.970 0 50 FFAA CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)CCCn1cncn1)CC2 95509227 BJQHLDQOPZXHEE-IBGZPJMESA-N 367.497 2.539 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc3c(c1)nc(C)n3C)C2 91966631 MNAPZJAXYNGSJU-INIZCTEOSA-N 365.433 2.758 0 50 FFAA COc1ccc2oc(CNC(=O)[C@H]3Cc4ccccc4CN3C)nc2c1 95369157 CVKPEVODTIQOJH-QGZVFWFLSA-N 351.406 2.509 0 50 FFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C(=O)O)C3)c2C(F)(F)F)cc1 237843020 OJTWWUBKUQFNDZ-NSHDSACASA-N 367.327 2.746 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOc3ccccc3C2)C1 95528047 SYCBBRILWNEIHS-SFHVURJKSA-N 368.481 2.504 0 50 FFAA O=C(NCC[C@@H]1CCNC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 178959949 XLZDAPIIMKYGHY-NSHDSACASA-N 353.253 2.909 0 50 FFAA O=C(NCCNC(=O)c1ccc([C@@H]2CCCO2)s1)c1ccc(F)cc1 91594338 ZWHUNJFTHNGQPT-AWEZNQCLSA-N 362.426 2.899 0 50 FFAA O=C(COC[C@H]1CCCO1)N1CCC(c2nccn2CC2CCC2)CC1 91695566 MPTMRSRVEGKTBJ-GOSISDBHSA-N 361.486 2.585 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)no1 91586413 OWJDYRSMNHKIMF-INIZCTEOSA-N 351.410 2.643 0 50 FFAA COc1c(C)cc([C@@H](C(=O)O)N2CCC(CN3CCCC3=O)CC2)cc1C 95371580 IFKVJBFWJZFBIM-IBGZPJMESA-N 374.481 2.772 0 50 FFAA Cc1ncc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C(C)C)c(=O)[nH]1 91474605 XWYZETZZMHVEQM-SFHVURJKSA-N 350.422 2.955 0 50 FFAA O=C(NCCSC1CCCCC1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 97475136 HGBKCDBTMAOVSY-CQSZACIVSA-N 362.495 2.927 0 50 FFAA COc1ccc(CNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c(F)c1F 96151006 HBKGPMMPBNFDEV-HNNXBMFYSA-N 374.387 2.606 0 50 FFAA CC[C@@H](NC(=O)c1cnc(-c2csc(C)n2)nc1O)c1nc(C)c[nH]1 96153485 IKHAFWFPOZAJRM-LLVKDONJSA-N 358.427 2.527 0 50 FFAA COc1cccc([C@H](C)NC(=O)c2nccnc2C(=O)N2CCCCC2)c1 97402367 QRCMFMOXKZYHMT-AWEZNQCLSA-N 368.437 2.602 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H]2COc3ccccc3C2)n1 95498392 QHMVGMQFELJHCB-LBPRGKRZSA-N 351.328 2.671 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2Sc2c(C)n[nH]c2C)C1 96151760 IPYXPNNOINRBPI-CQSZACIVSA-N 373.482 2.920 0 50 FFAA CC1(C)C[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CCO1 91270321 ZVLOFPISJUNQFL-CQSZACIVSA-N 357.454 2.617 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccc(C)cn1)C2 95362751 HQCLEVLNNRAGMD-SBHAEUEKSA-N 359.514 2.734 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(Cc1ccccc1SC)CCN2C 91819480 CUUGCSUMTSABAE-HXUWFJFHSA-N 361.555 2.927 0 50 FFAA O=C(c1nc2ccccn2c1F)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91563152 VILHHCLLLOVUOV-HZPDHXFCSA-N 356.445 2.810 0 50 FFAA COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc2ccccc2c(=O)c1O 253398036 BVIYZBBKJSERHC-ZDUSSCGKSA-N 368.341 2.922 0 50 FFAA biogenic CC[C@H](C)[C@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc23)no1)C(=O)O 252552896 VEWGJRXPIOULQD-GTNSWQLSSA-N 370.409 2.766 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)N1CCCN(c2ccc(F)cc2)CC1)C1CC1 534661920 MAAMTZSIJSTAHL-SFHVURJKSA-N 371.460 2.932 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccc(C)c2)CNC3=O)c1 263615060 AJIWPGAQNXIFAT-HXUWFJFHSA-N 362.433 2.899 0 50 FFAA CCc1cc(-c2ccc(C(=O)N[C@@H](C)c3nnc(N)s3)cc2)nc(C)n1 534655096 RWERARCRHSYVEI-JTQLQIEISA-N 368.466 2.939 0 50 FFAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1 534640775 DJGPVAYQBKCIES-QGZVFWFLSA-N 369.421 2.763 0 50 FFAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H](c1ncccc1C)C1CC1 299762709 WYFYFZIYRUNVQC-SFHVURJKSA-N 363.425 2.947 0 50 FFAA CC(C)NC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 299794778 KUOUQIRTTCXQNG-LBPRGKRZSA-N 357.435 2.665 0 50 FFAA Cc1cnc(C2(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)CCC2)[nH]1 1455133790 ANQHZGKFKIVIAF-UHFFFAOYSA-N 365.437 2.818 0 50 FFAA O=C1CC2(CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)CC(=O)N1 952868622 FAPHOHLDCPWBBE-UHFFFAOYSA-N 358.482 2.638 0 50 FFAA O=C(CN1CCC[C@H]1c1nc2c([nH]1)CCCC2)NCc1ccc(F)cc1 275534914 CKQXDWQEGZBNMK-SFHVURJKSA-N 356.445 2.881 0 50 FFAA O=C(c1ccccc1)c1nc[nH]c1C(=O)N[C@H](CCCO)c1ccccc1 170600724 OFGBORBCGFSHAK-QGZVFWFLSA-N 363.417 2.884 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccn(-c2ccccc2)n1 279218292 FKIZTPGHNWCYEG-AWEZNQCLSA-N 351.410 2.752 0 50 FFAA O=C(Nc1cnc(CC2CC2)nc1)N1CCCN(c2ncccc2F)CC1 794366977 ICYWAZBXTCUXGY-UHFFFAOYSA-N 370.432 2.707 0 50 FFAA CCOc1c(I)cncc1I 4085911 UKCSOMWTJGGDDK-UHFFFAOYSA-N 374.947 2.690 0 50 FFAA C[C@]1(O)CCN(C(=O)CCN2CCCCCC2=O)C[C@H]1Cc1ccccc1 211560145 XYQBBCXZMZDEPE-KNQAVFIVSA-N 372.509 2.621 0 50 FFAA Cc1cccc2nc(CN(C)C[C@H]3CCN(c4ccccc4)C3)cc(=O)n12 1529196674 DFMIAFAFDMXPHL-GOSISDBHSA-N 362.477 2.961 0 50 FFAA Cc1ccc(CN2CCCN(C(=O)c3ccc4c(c3)ncn4C)CC2)o1 1529187025 ODPMPSOBSGZFKD-UHFFFAOYSA-N 352.438 2.823 0 50 FFAA O[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1Cc1ccc2ccccc2n1 1704342893 GEOYVFPVUCVNOB-DYESRHJHSA-N 358.445 2.918 0 50 FFAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(OC)c(OCC(=O)O)c3)C[C@@H]21 1704342157 JGLPUYDBYVLCCR-GQIGUUNPSA-N 363.454 2.532 0 50 FFAA O=C(c1cccc(N2CCOCC2)c1)N1CCO[C@H](Cc2ccccc2)C1 12307449 QEMZSXSCGAMZPV-OAQYLSRUSA-N 366.461 2.607 0 50 FFAA COc1cc(-c2cnnc(NCCCOC(C)C)n2)cc(OC)c1OC 15066253 IRNPRRUEXIAGIO-UHFFFAOYSA-N 362.430 2.791 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)N1CCCC1=O 15072100 PGXLNXDDUYSYTC-HNNXBMFYSA-N 353.422 2.809 0 50 FFAA C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1-n1cccn1 153444965 ZVTPYGBRGKVOGU-CQSZACIVSA-N 369.446 2.767 0 50 FFAA Cc1ncnc(C)c1C(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857667157 NVPULRYCMPPUKO-HZPDHXFCSA-N 361.486 2.654 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3)c1cccs1 1857710320 QPJHWFRMUUOTLL-VPWBDBDCSA-N 374.428 2.910 0 50 FFAA O=C1CCCc2c1[nH]c1cc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)ccc21 1857718553 KDZHTGGIULOFRV-OEPMTFCVSA-N 367.449 2.783 0 50 FFAA CCc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n[nH]1 1857723130 UYLQXXMZXKTCEI-SOLBZPMBSA-N 374.872 2.570 0 50 FFAA O=C(CCOC1CCOCC1)N1CC[C@@H](Oc2ccccc2Cl)C1 120420269 HMTGDCJBAZZPCB-OAHLLOKOSA-N 353.846 2.905 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)C2CCOCC2)O3)n1 11813792 QWASFHISYGVPOR-GOSISDBHSA-N 367.449 2.607 0 50 FFAA CN(CC(C)(C)O)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 150768266 NUYLHUPDXAYNDP-UHFFFAOYSA-N 367.921 2.964 0 50 FFAA CCCN1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 267399989 YGQNSYIIYIZEKL-NRSPTQNISA-N 372.557 2.928 0 50 FFAA CN1CCC[C@]2(CO)CCN(C3CCN(c4ccccc4F)CC3)C[C@@H]12 1704297236 SARXVGPYINHNLC-NHCUHLMSSA-N 361.505 2.573 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Nc3ccc(C(=O)O)cc3)C1)CC2 1704324735 FAVFHKYUIUXOLI-HXUWFJFHSA-N 366.421 2.995 0 50 FFAA Cc1nn([C@H]2CCOC2)cc1C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1875271764 DHMASDWMMNCSMB-WMZOPIPTSA-N 368.437 2.746 0 50 FFAA CNCc1c(C)cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1C 1875292191 ZVBPLVRQFDNMOF-UHFFFAOYSA-N 361.467 2.647 0 50 FFAA Cc1c(C2CCOCC2)noc1NC(=O)c1cnnn1-c1ccccc1 1875323102 XDBSFNZXQICWAK-UHFFFAOYSA-N 353.382 2.710 0 50 FFAA O=C(c1nc(C(F)(F)F)n2c1CCCC2)N1CCC(C2=NOCC2)CC1 1875404581 NNTAHFDBAQJUNU-UHFFFAOYSA-N 370.375 2.867 0 50 FFAA Cc1c(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)oc2c(C)cccc12 2325785537 CZRNVCFHWWASSB-USXIJHARSA-N 353.422 2.816 0 50 FFAA O=C(NCCc1c[nH]c2cccc(Br)c12)[C@@H]1C2CCN1CC2 2325811309 OFIBACTUIVUWRJ-INIZCTEOSA-N 362.271 2.683 0 50 FFAA O=C1CCCN1c1ccc(C(=O)N2CCC[C@@H]2c2cccnc2O)cc1 2325816839 CIWTYWGMEKHQQR-QGZVFWFLSA-N 351.406 2.891 0 50 FFAA CC(C)CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2ncon2)cc1 2325867912 IXWAOCIUPQDBOZ-UHFFFAOYSA-N 358.442 2.703 0 50 FFAA C[C@@H]1Cn2nc(C(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc2CN1 2325870916 UNUGEMYKSGDKPZ-SNVBAGLBSA-N 357.414 2.890 0 50 FFAA O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CCO[C@@H]2COCC[C@@H]21 907747460 SZNNBSZHDWSMOE-QWHCGFSZSA-N 373.883 2.733 0 50 FFAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 804778 CEGZDFAUDMSJAG-ACJLOTCBSA-N 354.406 2.993 0 50 FFAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)OC)cc1 1005396 VXUFLKFGJKSWSZ-UHFFFAOYSA-N 358.419 2.999 0 50 FFAA NC(=O)c1ccccc1NC(=O)c1ccc(I)cc1 1219328 ACJASHMNQKSFLR-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2 132852082 DIDMEZDEPQLWBX-QZTJIDSGSA-N 371.481 2.944 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(=O)c3ccccc3o2)C1=O 2356136333 QHUXFKDOSHPADK-NRFANRHFSA-N 368.433 2.800 0 50 FFAA C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CF 3876165 MYHOAFKYKANCBW-LXYRKZDWSA-N 364.457 2.759 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2F)NC(=S)N1 4807940 WVEUHEGSUHAXNA-QGZVFWFLSA-N 355.438 2.935 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2)c1=O 4940297 NDBNNTLGDRSRGU-UHFFFAOYSA-N 362.385 2.920 0 50 FFAA Cc1cccc(OCCCC(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c1 225432533 WIAKVRQYGVATEG-OXJNMPFZSA-N 357.454 2.782 0 50 FFAA Cc1ccc(NC(=O)C[C@H]2SC(=O)N(CN3CCCCC3)C2=O)cc1 54360498 XDIJSWZKNYOEDF-OAHLLOKOSA-N 361.467 2.831 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC4(CC3)C[C@H](C(=O)O)N(C)C4)cc2s1 72166601 WEXDKWFMHVTNHR-OAHLLOKOSA-N 373.478 2.616 0 50 FFAA CCn1cnc(NC(=O)c2ccc(CN3CCn4cccc4[C@H]3C)cc2)n1 65459286 CIKZXAQAZAHMNU-OAHLLOKOSA-N 364.453 2.929 0 50 FFAA CC[C@H](NC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1)c1ncc(C)[nH]1 67772847 WUEKBPHLASWUIB-AWEZNQCLSA-N 363.425 2.720 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)NS(=O)(=O)Cc1cccc(F)c1 252499038 RUEIWOLKTBHCTM-UHFFFAOYSA-N 354.403 2.580 0 50 FFAA O=S(=O)(c1ccc(CN2CCOCc3ccccc32)o1)N1CCCC1 280641740 ZNHGKULGUAMSMO-UHFFFAOYSA-N 362.451 2.601 0 50 FFAA Cn1ncc(I)c1C(=O)NC1CCCCCCC1 2763162 ARAHJNYOQLDASS-UHFFFAOYSA-N 361.227 2.867 0 50 FFAA Cc1cc(O)cc(=O)n1CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437277915 RYEGNKPBZDUKSX-IUODEOHRSA-N 364.804 2.717 0 50 FFAA O=C(CN1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1)NC1CC1 72149410 HUTCLNXCGZJMKV-HXUWFJFHSA-N 355.526 2.542 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)c2oc(C)cc2C)CC1 328657108 ZZTQQNBXGVKYFL-SFHVURJKSA-N 370.453 2.730 0 50 FFAA Cc1cccc2cc(CN3CCCN(Cc4ccccn4)CC3)c(=O)[nH]c12 215639086 UBBQNDUJONCYJE-UHFFFAOYSA-N 362.477 2.939 0 50 FFAA O=C(c1cnc([C@@H]2CCCO2)s1)N1CCN(Cc2cccc(O)c2)CC1 125761459 HIEBRZNLWDNVMG-INIZCTEOSA-N 373.478 2.658 0 50 FFAA Cn1c(=O)[nH]c2cc(C(=O)NCc3cccc(-c4ccccn4)c3)ccc21 152966618 WPGREQFCLFWBFZ-UHFFFAOYSA-N 358.401 2.859 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cn2)n1 363408662 SZNNZMZUPFXDHB-QGZVFWFLSA-N 366.425 2.512 0 50 FFAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc2c3c([nH]c2c1)CCCC3 72474315 GUPUXPFFPWGDHD-GOSISDBHSA-N 364.405 2.594 0 50 FFAA O[C@@H](c1cc2n(n1)CCCN(C1CSCCSC1)C2)C1CCC1 219618719 BYQMGFYYFVNIBG-QGZVFWFLSA-N 353.557 2.771 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCCCN)CCC(=O)N1Cc1ccc(F)cc1 71755008 HFYSMAGHMAIWMY-SFHVURJKSA-N 363.477 2.540 0 50 FFAA CS(=O)(=O)N1CC[C@H](CSc2nnc(-c3ccccc3Cl)o2)C1 242155935 WUNBGZNYXMFVKA-JTQLQIEISA-N 373.887 2.764 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)CC3CCS(=O)(=O)CC3)cc2c1C 71745492 SFYPSPMMJUXPMX-UHFFFAOYSA-N 362.495 2.870 0 50 FFAA Cc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c(C)nc2c1 237887286 UFERAIMKVVJIHF-MRXNPFEDSA-N 356.422 2.948 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCSc3nccn3C)cc2)n1 72447626 IAYZUFPIRFRRPY-UHFFFAOYSA-N 369.494 2.804 0 50 FFAA COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc(OC)c1O 217706009 PATXQPIQJYWQIW-LBPRGKRZSA-N 358.346 2.759 0 50 FFAA biogenic O=C(c1ccccc1)[C@@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 77377823 PYNNVRHYSKVAJX-MRXNPFEDSA-N 367.401 2.916 0 50 FFAA CN(C)c1ccc(CCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 77424198 WOFAIPCCPIDQKU-UHFFFAOYSA-N 357.498 2.546 0 50 FFAA O=C(NCCO)C1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 14007909 YPTWJMUXOHIAEV-UHFFFAOYSA-N 365.886 2.788 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CCN(C2CCCCC2)C1 177631512 KOKPUJXIWNMNOM-INIZCTEOSA-N 373.497 2.655 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17076680 WMJCNKBIEZGBFB-COZJESOBSA-N 374.525 2.990 0 50 FFAA Cc1cccc2c(CCNC(=O)C3CCN(c4cnccn4)CC3)c[nH]c12 175495152 KXOFLHLWHGNMOO-UHFFFAOYSA-N 363.465 2.842 0 50 FFAA CCOC1CC2(CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)C2)C1 286472191 ZSLMENXCAGHYSB-UHFFFAOYSA-N 360.845 2.952 0 50 FFAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)NCc1cccc2cccnc12 286680955 HGYNPLWMNAJKLR-GBESFXJTSA-N 369.465 2.960 0 50 FFAA Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)sc2nc(C(F)(F)F)ccc12 178279990 LNEBPRQDZJHRJZ-SECBINFHSA-N 374.340 2.549 0 50 FFAA Nc1cncc(-c2cccc(C(=O)N3CCN(CC4CCC4)CC3)c2)c1 426526884 OAWITXHHMYEQNO-UHFFFAOYSA-N 350.466 2.889 0 50 FFAA O=C(NCc1cccnc1)N(CCOc1ccccc1)C[C@@H]1CCCO1 426683909 PFJFGUJKBPQESU-IBGZPJMESA-N 355.438 2.851 0 50 FFAA CCOC(=O)c1cncc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1 426602589 ZMCWJEUAQFAXCH-CQSZACIVSA-N 354.406 2.692 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1onc2c1CCCC2 426730402 KRHKMAJJSDUBOG-IAGOWNOFSA-N 360.385 2.659 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1F)C2 95511680 KUJLAXMHVZKXQJ-LSDHHAIUSA-N 371.412 2.694 0 50 FFAA Cc1ccc2cc(CN3CCC[C@H](N)CC3)c(N3CCOCC3)nc2c1 97819475 MYWLLXSOQYUJGV-IBGZPJMESA-N 354.498 2.693 0 50 FFAA OC1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOCC1 178639165 VMRQGGMNXGUBSZ-UHFFFAOYSA-N 356.869 2.575 0 50 FFAA Cn1cc2c(c(Cl)c1=O)C(=O)N(CCc1ccc3ccccc3n1)C2 97758595 REHSVUHFOKOGRJ-UHFFFAOYSA-N 353.809 2.785 0 50 FFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)C1C[C@@H]2CCC[C@H](C1)C2=O 180931373 POCWRDSNZKVMAZ-MYSGWJLTSA-N 354.450 2.583 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NCCOc1ccccc1Cl)CC(=O)N2 91756163 KSBANDHUEWLEGC-CQSZACIVSA-N 374.824 2.970 0 50 FFAA CSc1ncc(CNC(=O)CN2CCC[C@@H](c3ccccc3)C2)n1C 95355463 NUQISACDNIFRAA-MRXNPFEDSA-N 358.511 2.638 0 50 FFAA O=C1N(C2CCCCC2)CCC[C@]12CCN(c1ncnc3[nH]cnc13)C2 92065860 CIBDHBZFVBWZKI-LJQANCHMSA-N 354.458 2.505 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC[C@H](c3ccncn3)C2)o1 97785172 GCGMVUCOCXFFPV-ZDUSSCGKSA-N 356.455 2.729 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(SC)cc2)CN1Cc1ccccc1 23362470 GYTNAOGNCLIWKR-QUCCMNQESA-N 369.534 2.887 0 50 FFAA Cc1ccc(CNC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)o1 95507610 KILOMGXZDKHGHU-MRXNPFEDSA-N 357.410 2.819 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cnc(C3CC3)nc2)n1 97495286 QWFSHHWRQJNIQJ-JTQLQIEISA-N 367.375 2.944 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 237994364 BUHQPNKIRUVLSF-QGZVFWFLSA-N 358.438 2.669 0 50 FFAA Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c2ccccc21 95373198 ZEAGSDHIHUQPCC-JKSUJKDBSA-N 361.449 2.709 0 50 FFAA CCOCCN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 95378802 QJKUDVRYACCANA-UHFFFAOYSA-N 352.425 2.816 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(C)c(OC)c2)[C@H]2C[C@@H](O)C2)cn1 244708193 KPHYCTKJZFQSIU-FCEWJHQRSA-N 356.422 2.649 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244828611 TZIWAOPLLBBCGW-XEZPLFJOSA-N 366.870 2.834 0 50 FFAA CN(CCC(=O)NCc1ccccc1F)C[C@H]1Cc2ccccc2CN1C 244719176 LYGMUPCYYJBADO-HXUWFJFHSA-N 369.484 2.821 0 50 FFAA C[C@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C1CCN(C)CC1 534672416 DFSFRZXGPSLXLC-AIADIJKESA-N 370.541 2.757 0 50 FFAA O[C@H](c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2)C1CC1 825505939 JARYRVLEFGWWIY-SFHVURJKSA-N 361.829 2.724 0 50 FFAA CC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCC(c3nncn3C)CC2)c1 822559345 MTCGXAXOIXUMFG-AWEZNQCLSA-N 369.469 2.820 0 50 FFAA Cc1nccn1CCN(C)C(=O)NCc1nc2ccccc2n1C(C)C 670434985 XWBFJOKJEOLACF-UHFFFAOYSA-N 354.458 2.964 0 50 FFAA O=C(NCC1CCN(c2nccc(C(F)(F)F)n2)CC1)c1cscn1 952968589 PBTZYXFLMAFLMU-UHFFFAOYSA-N 371.388 2.598 0 50 FFAA CN(CCO)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 270942514 NPXCTGYSDBQCSX-UHFFFAOYSA-N 367.493 2.966 0 50 FFAA O=C(N[C@H](CO)CN1CCCC1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 390832697 FZMCGEICFLFJND-QEJZJMRPSA-N 357.281 2.670 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 170625916 OOTVEQYBZLWMRD-UGSOOPFHSA-N 358.344 2.578 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 188840239 RAQWRWLNLJRDEI-YOEHRIQHSA-N 369.450 2.569 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CCc2ccncc2)C1 190529981 RWBWDIQCVPXECJ-KRWDZBQOSA-N 358.511 2.760 0 50 FFAA CCc1nc(C2CCN(C(=O)[C@H]3C[C@H]3c3cccc(OC)c3)CC2)n[nH]1 191556917 WZLDRZOJTIDPRI-IRXDYDNUSA-N 354.454 2.885 0 50 FFAA Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1nccn1C(F)F 195020141 YUVIHPXGFNRQEU-UHFFFAOYSA-N 354.382 2.927 0 50 FFAA Cc1cc(C)cc(CNC(=O)[C@H]2CNC[C@@H](COc3ccc(C)nc3)C2)c1 14741188 KUOMKOXXOYKBCB-VQTJNVASSA-N 367.493 2.928 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc(N2CCCC2)cc1 1529161777 PMPHSWYCZBFBTH-UYAOXDASSA-N 351.450 2.669 0 50 FFAA C[C@H](c1ccccc1)n1nccc1NC(=O)c1cccc(-n2cnnc2)n1 1529171898 FRXKPCPJCTVTME-CQSZACIVSA-N 359.393 2.720 0 50 FFAA Cn1c(CCCNc2cncc(C(=O)N3CCCC3)n2)nc2ccccc21 1704299906 NNOQATDWWJUGFR-UHFFFAOYSA-N 364.453 2.644 0 50 FFAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)c2ccco2)CC1=O 14743538 FUTCUDLNJIYKKJ-GOSISDBHSA-N 370.449 2.805 0 50 FFAA Cc1nnc2sc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nn12 16649443 RSLMSPZJXUYBOK-UHFFFAOYSA-N 371.447 2.962 0 50 FFAA COc1cnc(C)cc1C(=O)NCCc1csc(-c2cccnc2)n1 1857670711 AVYRVPNFJCSHHV-UHFFFAOYSA-N 354.435 2.890 0 50 FFAA O=C(c1cncc(F)c1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857722444 ICRTXLIIVRJCMT-PMACEKPBSA-N 369.440 2.899 0 50 FFAA N[C@@H]1CC[C@H](c2nc(-c3ccccn3)nn2-c2ccc(F)c(F)c2)C[C@H]1O 1857734219 FJONXKHZTWJNRT-UXEPBGEESA-N 371.391 2.563 0 50 FFAA Cc1ccc(CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1 225797601 CAIWGLXKTLKZFH-IBGZPJMESA-N 368.481 2.642 0 50 FFAA O=C(c1ncncc1Cl)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 332369716 WMURSSYTGRAKOH-MRVPVSSYSA-N 359.739 2.892 0 50 FFAA CC(C)N1C[C@@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1=O 265627893 ITNLGRNXFCZQJQ-AWEZNQCLSA-N 361.829 2.663 0 50 FFAA O=C(CN1CC[C@@H](n2cc(C3CC3)nn2)C1)Nc1ccc(F)c(Cl)c1 931120471 KXSZLDCRJBMAPO-CYBMUJFWSA-N 363.824 2.834 0 50 FFAA Cc1cc(N2CCC[C@@H](c3nnc4n3CCC4)C2)nc(N(C)C(C)C)n1 1875273386 UMDHIKZPBYGQLP-OAHLLOKOSA-N 355.490 2.551 0 50 FFAA C[C@]1(c2ccc(-c3noc(CC4CC5(CCC5)C4)n3)cc2)NC(=O)NC1=O 1875361107 PSNJGDBXZUYAOB-LJQANCHMSA-N 366.421 2.914 0 50 FFAA CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1ccon1)C2 1875357987 DZEAGVDECWITBJ-CVEARBPZSA-N 359.470 2.956 0 50 FFAA COc1ccc(C(=O)NCCc2cnn(-c3ccccc3)n2)cc1Cl 1875316504 VPZOIHNPYIYAKT-UHFFFAOYSA-N 356.813 2.902 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1F)Nc1ccc(F)cc1F 1429021 PYTJDOAISRIFLJ-UHFFFAOYSA-N 365.340 2.810 0 50 FFAA Clc1ccc2c(c1)C=C(CN1CCN3[C@@H](C4CC4)COC[C@H]3C1)CO2 2100555975 AWFSYRVTYOLJOV-RTBURBONSA-N 360.885 2.911 0 50 FFAA C[C@H](C(=O)N1CCC(c2n[nH]c(CN)n2)CC1)c1ccc2ccccc2c1 2325753663 QVSKUNIZXKKTDT-AWEZNQCLSA-N 363.465 2.926 0 50 FFAA Cc1cccc(CN2CCC[C@H]2CNC(=O)c2nc(C)[nH]c3nccc2-3)c1 2325857240 UTDGKYNFMGILJZ-KRWDZBQOSA-N 363.465 2.921 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N2CCc3nnc(O)cc3C2)cc1 2325858994 JNYUCKSFTJQSQX-UHFFFAOYSA-N 360.417 2.506 0 50 FFAA Cc1oc(-c2ccccc2)nc1CNC(=O)c1cc(C(N)=O)ccc1F 2325863976 BTNQPFQXMQQOLO-UHFFFAOYSA-N 353.353 2.818 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O 808353 GLFOYVYJJZWORE-QGZVFWFLSA-N 371.368 2.807 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C[C@H]3CCCOC3)CC1)OCC2 2356159340 WODQFIKHSPUMJR-MRXNPFEDSA-N 361.482 2.994 0 50 FFAA COc1ccc(Cc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1OC 2841824 VASSJNUYJNUGQE-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(N)=O 2850422 UPOAROQHRTVISR-SNVBAGLBSA-N 363.211 2.954 0 50 FFAA C[C@]1(C(=O)n2nnc3ccccc32)CC1(Br)Br 2894206 ZSFVQKQHCMOSCI-SNVBAGLBSA-N 359.021 2.968 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 4158602 SQWOTGDXXGRDLO-CVEARBPZSA-N 362.838 2.952 0 50 FFAA NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 4258106 HEUKQBGVJXQIIT-UHFFFAOYSA-N 352.188 2.557 0 50 FFAA COc1cc(N)c([C@H](O)c2nccc3cc(OC)c(OC)cc23)cc1OC 4414692 QKBFGCBOUJORPE-FQEVSTJZSA-N 370.405 2.933 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)cs2)no1 6681800 YLEDATKZPLIFKQ-UHFFFAOYSA-N 369.468 2.908 0 50 FFAA C[C@@H](N)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cc1 415103585 CNBDIUYDSMLSQK-MRXNPFEDSA-N 374.529 2.615 0 50 FFAA COc1ccccc1N1CCN(c2nc(C)c3c(n2)C[C@H](C)CC3=O)CC1 9061157 HZEDTSAUOJTJPW-AWEZNQCLSA-N 366.465 2.885 0 50 FFAA Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccccc1NCC(=O)O 65383253 WATJIICYBDWCEX-OAHLLOKOSA-N 356.422 2.997 0 50 FFAA Cc1ccc2occ(CN3CCc4nnc(C(C)C)n4CC3)c(=O)c2c1 20254564 DCAFMSYRGFEEPS-UHFFFAOYSA-N 352.438 2.875 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)Cc2cc(C3CC3)[nH]n2)cn1 67974279 YAYRRHDMFLGGPC-UHFFFAOYSA-N 351.410 2.754 0 50 FFAA C[C@H](NC(=O)Cn1ccnc1-c1ccccc1)c1cn2ncsc2n1 65385093 GUUXZLGOPNOJCG-LBPRGKRZSA-N 352.423 2.532 0 50 FFAA C[C@H](c1nnc(SCC(=O)O)n1-c1ccccc1Cl)n1cccn1 67834140 QVKJYHYDDCRXEZ-SNVBAGLBSA-N 363.830 2.903 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2ccc3cccc(O)c3n2)CC1 65456374 AWHQVYFRELEELE-UHFFFAOYSA-N 363.465 2.923 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2c(C)n[nH]c2C)cs1 328607142 URWJHRLPRDTLMJ-HOCLYGCPSA-N 351.495 2.836 0 50 FFAA CCOC(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)nn1C 653349 HXTZTAIAFQDEEN-UHFFFAOYSA-N 356.209 2.834 0 50 FFAA Cn1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cn1 2763699 WZRFYSOUZAOYGL-UHFFFAOYSA-N 352.442 2.508 0 50 FFAA Cc1cc(C(=O)NCCNC(=S)Nc2cccc3ccccc23)nn1C 2740905 RKSXAVQRQJSVFO-UHFFFAOYSA-N 367.478 2.598 0 50 FFAA COc1cccc([C@H]2CN(C(=O)C3CCOCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72164243 QEVNDCGERUTHQK-NJDAHSKKSA-N 370.493 2.510 0 50 FFAA C[C@@H]1OCC[C@@]12CN(C(=O)c1ccccc1Br)C[C@@H](C)O2 253430136 ICGPCSLCZPDJDQ-BFQNTYOBSA-N 354.244 2.858 0 50 FFAA Cc1nc(O)c(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)cc1Br 129766609 ASGLXXUBZDJGRG-VIFPVBQESA-N 373.247 2.660 0 50 FFAA Cn1c2ccccc2n2c(SCc3nnc4n3CCCCC4)nnc12 365870362 PEYYMGKZEGCDCV-UHFFFAOYSA-N 353.455 2.831 0 50 FFAA Cc1c(O)cccc1C(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219550589 FBANTUHVCISRBH-PMTKGXAQSA-N 353.418 2.878 0 50 FFAA CCc1[nH]c2c(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc(F)cc2c1C 71762141 QAXFTIRBCKREGO-GFCCVEGCSA-N 366.458 2.619 0 50 FFAA CCNc1nc(C)c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)s1 72474160 LCSSDXFUASIRAK-UHFFFAOYSA-N 362.474 2.980 0 50 FFAA NCc1ccc(-c2noc([C@H]3CCCN(C(=O)N4CCCC4)C3)n2)cc1 261949820 FTMDNSYHQBLEJH-INIZCTEOSA-N 355.442 2.591 0 50 FFAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)C1(O)CCCC1 332180365 YSIPCSBNAZYABK-LBPRGKRZSA-N 358.360 2.585 0 50 FFAA Cc1cnc2c(c1)N(C(=O)CCc1nc(-c3cccs3)no1)CCO2 126758646 WZFXFEXDUUHDHQ-UHFFFAOYSA-N 356.407 2.860 0 50 FFAA CCc1ccccc1NC(=O)[C@@H](C)N1CCN(CC2CCOCC2)CC1 172428759 GDJNMWICJHTXNY-QGZVFWFLSA-N 359.514 2.620 0 50 FFAA CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CCNCC2 72428297 GSBUBGSQXFJQHY-RTWAWAEBSA-N 350.462 2.736 0 50 FFAA O=C(NC1CCN(c2cccnn2)CC1)c1cc(F)cc2cccnc12 373038483 URZCXDPIXPBUPY-UHFFFAOYSA-N 351.385 2.563 0 50 FFAA NC[C@@H]1CCC[C@H]1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 158005857 WZRSDGJCMKNYIZ-XJKSGUPXSA-N 367.478 2.853 0 50 FFAA O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1ccon1 14981231 IUPRQKMSHMWHTF-HXUWFJFHSA-N 363.417 2.927 0 50 FFAA C[C@@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H]1CCCNC1 237382074 HJUGHLXISQWFQH-HOTGVXAUSA-N 370.497 2.519 0 50 FFAA O=C(c1cnc2ccccc2n1)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 48063523 QKRCIDXHGLHXCL-AWEZNQCLSA-N 362.437 2.651 0 50 FFAA COc1cc(Cl)cc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1 72407422 ZLNKUDMKJFITRF-CQSZACIVSA-N 366.889 2.922 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@H]1O 72453928 WQWSYHKCTDJIGZ-TZIWHRDSSA-N 373.424 2.753 0 50 FFAA C[C@H](Sc1n[nH]c(=O)n1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 241287528 LMFDKCSDDVFKPH-YCPHGPKFSA-N 374.510 2.795 0 50 FFAA CNc1snc(C)c1C(=O)NCc1ccc(CN2CCCC2=O)cc1 131982237 UNNYCYAFOLXEJS-UHFFFAOYSA-N 358.467 2.546 0 50 FFAA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2csc(Cc3ccccc3F)n2)C1=O 285781456 CAMSWRGAMWROIX-CZUORRHYSA-N 373.453 2.566 0 50 FFAA C[C@@H](C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1)c1cccs1 285741835 YXHPPQJCGUGSNN-MNOVXSKESA-N 374.388 2.606 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1CCc1nccn1C 82092666 KISFFQCTOMMPAD-KRWDZBQOSA-N 357.502 2.717 0 50 FFAA COc1ccc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)o1 82096715 IAZQWZGVDDFICY-UHFFFAOYSA-N 358.442 2.563 0 50 FFAA Cc1cccc(OCCN2CCC[C@@H](c3ccnn3CC(=O)O)C2)c1C 426746385 ZTDIGVMGGKTLRD-QGZVFWFLSA-N 357.454 2.843 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@H]1CCN(c2ccccc2F)C1 290328725 BKSJRPAIZRVXQK-AWEZNQCLSA-N 369.444 2.772 0 50 FFAA COc1ccc(Cl)cc1C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 222318499 JJMSFVNTGPEYGR-HOTGVXAUSA-N 353.846 2.910 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)NCCc3ccccc3Cl)C2)OC1=O 426669142 PVUISVKYOIFCOY-QGZVFWFLSA-N 351.834 2.509 0 50 FFAA COc1ccc(-c2ccccc2NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 95522830 LUCSOSSLIKWVEB-AWEZNQCLSA-N 374.462 2.918 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)ccc1=O 91779785 UEXLUFHKHJEVAX-NRFANRHFSA-N 368.433 2.599 0 50 FFAA CCc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cn1 95357806 IANGWLYSQGOOHH-IEBWSBKVSA-N 350.466 2.776 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)cc1 426373560 BVSNNBIRDMILGH-KRWDZBQOSA-N 355.438 2.615 0 50 FFAA CSCCc1nc(Cn2ccccc2=O)n(Cc2ccc(F)cc2)n1 96165044 BPWHJBWWNOULJF-UHFFFAOYSA-N 358.442 2.581 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCc2cnc(SC)n2C)c1 97425690 WROTVYAHIUPDQB-UHFFFAOYSA-N 365.434 2.951 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cn1 91494388 UYMZFIRSXXLIPZ-GOSISDBHSA-N 362.433 2.668 0 50 FFAA O=C(O)c1cccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 92028850 BAQCIHMEAJOSGW-MRXNPFEDSA-N 363.421 2.804 0 50 FFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239415209 TZRBMJVRIHUIBQ-WWTWNBORSA-N 364.445 2.684 0 50 FFAA Cc1ncc(C(=O)N(Cc2ccccc2)Cc2scnc2C)c(=O)[nH]1 91475381 LRDXZCOWTOLPBK-UHFFFAOYSA-N 354.435 2.686 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@@H]1CCOc2ccccc2C1 97413359 GGMMPWGOHBASKM-OAHLLOKOSA-N 364.405 2.731 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 91619933 WKUBAWZABWNMEL-CQSZACIVSA-N 359.447 2.869 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95386400 JODYNGGEPPAOAO-QGZVFWFLSA-N 369.400 2.532 0 50 FFAA CNC(=O)c1ccc(Cn2cc(-c3ccc([C@@H]4CCCCO4)o3)nn2)o1 91876660 GSIJGHNOJMJVRM-HNNXBMFYSA-N 356.382 2.781 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1ccc3c(c1)OCO3)C2 95516467 BJAUKCIRGYFARB-HNNXBMFYSA-N 369.417 2.724 0 50 FFAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N1CCCN(C(=O)C2CCC2)CC1 95389495 FUSDKYBLFRJOMN-HXUWFJFHSA-N 369.509 2.628 0 50 FFAA C[C@@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@@]1(O)C1CCC1 91486849 LMBHGSBNMGWVPK-BLVKFPJESA-N 365.857 2.663 0 50 FFAA CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 267649051 INLXAVYIHFIYIY-IUODEOHRSA-N 364.492 2.674 0 50 FFAA Cc1nc(CC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 244852861 VAJMOBNTIYVBKG-UHFFFAOYSA-N 355.507 2.696 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC[C@H](CN3CCC(C)CC3)C2)cs1 299495970 OYHFKEHEUJDMEK-OAHLLOKOSA-N 364.515 2.686 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CCc1ccc2c(c1)OCCO2 299745712 SBHJQESHJVWHEV-UHFFFAOYSA-N 355.390 2.747 0 50 FFAA CCCc1nc(C(=O)N[C@H](c2cncc(OC)c2)[C@H]2C[C@H](O)C2)cs1 252568998 VTLXPOCXZRMWHD-BNLOLNQZSA-N 361.467 2.741 0 50 FFAA COCCn1cc(NC(=O)NCc2nc3ccccc3n2C2CC2)cn1 183655119 NOSGJMNYDOSDAY-UHFFFAOYSA-N 354.414 2.536 0 50 FFAA Cc1nc(O)c(C(=O)NC2(c3nnc(N)s3)CCCCC2)c(C)c1C 253536238 LVBFVPZBHPRISX-UHFFFAOYSA-N 361.471 2.736 0 50 FFAA Cc1ccc([C@@](O)(CC(=O)Nc2n[nH]c(C3CCC3)n2)C(F)(F)F)o1 184572594 PWCLPXFELAUSSG-AWEZNQCLSA-N 358.320 2.752 0 50 FFAA CC(C)CC(=O)N1CCC(NC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 363407880 HRDQRJPQCVQOJA-LJQANCHMSA-N 373.497 2.886 0 50 FFAA CCOc1cccc(CN(CC)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)c1 584887899 TXLRLDRSNLUVBC-OALUTQOASA-N 363.502 2.724 0 50 FFAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)c1ccc(CN2CCCCC2)cc1 952972202 WQJTYQWKKKHQPM-FQEVSTJZSA-N 371.525 2.561 0 50 FFAA O=C(N[C@H]1CNCC[C@@H]1O)c1cccc(-c2cccc(C(F)(F)F)c2)c1 1565512644 OQLBBFGWXQQDDV-IRXDYDNUSA-N 364.367 2.825 0 50 FFAA O=S(=O)(C[C@H]1CCC2(CCOCC2)CO1)Nc1c[nH]c2ccccc12 1475722408 OGFGIEMDTWSHGH-CQSZACIVSA-N 364.467 2.885 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(Br)c1 269946631 NJWDBDAOWMISLA-CYBMUJFWSA-N 363.259 2.901 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1nnc(C)n1C)CC2 276350291 HQXRNFBFKPRNDI-KRWDZBQOSA-N 373.526 2.588 0 50 FFAA C[C@@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1nnc2n1CCCC2 186431065 JUWNNBGDEZQGIC-GFCCVEGCSA-N 366.400 2.702 0 50 FFAA CCCN(C)c1ccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1 187397605 IZNYIYPQYXUXDA-UHFFFAOYSA-N 372.490 2.963 0 50 FFAA O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCC(O)CC1 194218726 RXOJXPOFCZRMLJ-UHFFFAOYSA-N 354.332 2.776 0 50 FFAA O=C(Nc1cccnc1N1CCOCC1)N1CC[C@H](c2ccccc2)C1 194742809 JORKHEYMZINGDI-KRWDZBQOSA-N 352.438 2.940 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 1506430154 XXRSYTROBURMDG-LBPRGKRZSA-N 360.845 2.936 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3c(-c4ccccc4)noc3C)CCN12 1529105930 KHRNFIKLQMIXFW-ZWKOTPCHSA-N 369.465 2.975 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1C 1704325220 GGZBVBWVDSMIFF-QZTJIDSGSA-N 353.484 2.973 0 50 FFAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)c1 5400116 HRJXVYCRIVVYAX-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CCCc1nc2cccnc2n1C1CCN(C(=O)c2cnsn2)CC1 12246588 MSSMJJVIVKVICE-UHFFFAOYSA-N 356.455 2.713 0 50 FFAA CCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 13945926 MMRPHLLEUUYEHX-AWEZNQCLSA-N 368.499 2.788 0 50 FFAA CC[C@@]1(CCC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CCC(=O)N1 14992219 DNYPKFBJXZCJHO-UGKGYDQZSA-N 372.509 2.668 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN2CC(=O)N2CCc3ccccc32)c1 16651249 OZFMKFLCZVPIKJ-FQEVSTJZSA-N 363.461 2.987 0 50 FFAA Cc1ccc(-c2ccccc2CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)o1 19226649 YOIWGRXTSFXYAU-WOJBJXKFSA-N 356.466 2.522 0 50 FFAA COc1ccc(Cc2noc(-c3ccc(N4CCC(O)CC4)nc3)n2)cc1 19743146 QOBIYMDMZKBMNO-UHFFFAOYSA-N 366.421 2.692 0 50 FFAA Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1C 19771072 GUCSWLXXZGXLDA-OAQYLSRUSA-N 354.494 2.861 0 50 FFAA CS(=O)(=O)Oc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 2825129 XZJSPTBKTGVNES-XNTDXEJSSA-N 361.350 2.509 0 50 FFAA COc1ccc(-c2ccc3c(O)nc(=O)n(CCC(C)C)c3n2)c(O)c1 1857526304 YUSHRPFCGYLPCD-UHFFFAOYSA-N 355.394 2.924 0 50 FFAA O=C(N1C[C@@H]2CCOC[C@]2(C(=O)O)C1)C1(c2ccc(Cl)cc2)CCC1 1857668813 OOZADSFKVHCETA-IFXJQAMLSA-N 363.841 2.711 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC[C@H]1O 1857721065 XWEUYCVLKXCCCW-WBVHZDCISA-N 359.388 2.620 0 50 FFAA Cc1cc(C)c(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)o1 328630052 PLEBWYDRHMSMPP-INIZCTEOSA-N 356.426 2.500 0 50 FFAA CC(C)n1ncc2cc(S(=O)(=O)N3C[C@@H](C)Oc4ncccc43)ccc21 333016491 CIVOCNWLTCOWMI-CYBMUJFWSA-N 372.450 2.988 0 50 FFAA CCCc1ncc(CN2C[C@H](c3ccccc3OC)[C@@H](C(=O)O)C2)cn1 248203543 YEGDUNGAWIWTJU-SJORKVTESA-N 355.438 2.738 0 50 FFAA COC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 363436065 IYLDBMHBTBHTEO-YGRLFVJLSA-N 359.253 2.749 0 50 FFAA O=C(c1ccnc(OC(F)F)c1)N1CC[C@H](c2ccccc2)S1(=O)=O 835467257 SANPGQXBLWOKLW-CYBMUJFWSA-N 368.361 2.600 0 50 FFAA O=C1N[C@]2(CC[C@H]3C[C@H]32)C(=O)N1c1cccc(I)c1 1875290971 KHULPUJWOOJHID-UPLXVJCVSA-N 368.174 2.516 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H](C2CC2)[C@@H]2COCCO2)cc1 1875287690 UXAQTVYSDNKLBM-SFTDATJTSA-N 366.461 2.736 0 50 FFAA CCOC(=O)C[C@H](NC(=O)c1cc(C(N)=O)ccc1C)c1ccc(F)cc1 1875310235 JWHWNPXPQNLMDN-KRWDZBQOSA-N 372.396 2.657 0 50 FFAA O=C(NS(=O)(=O)Nc1ccc(Cl)cc1)c1coc(C2CCC2)n1 1875333287 MHYOLQGPOGENOD-UHFFFAOYSA-N 355.803 2.682 0 50 FFAA O=C(Cc1cc(C(F)(F)F)co1)N1CC[C@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875400905 CBDFBUCPJHAPGN-YPMHNXCESA-N 370.331 2.664 0 50 FFAA C[C@@H]1C[C@H]1C(=O)NC1CC2(CC(CN=c3[nH]nc(C(F)F)s3)C2)C1 1875406583 HRRGEXONBZPXPJ-NPWCJJNPSA-N 356.442 2.641 0 50 FFAA CN1C(=O)C[C@@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 886048152 ZKVWOVRMLUEJGP-KXBFYZLASA-N 357.841 2.613 0 50 FFAA CCOC(=O)Cn1nc(C)c(NC(=O)c2cc(Cl)ccc2OC)c1C 1427208 GMFCCVYSKOFTJW-UHFFFAOYSA-N 365.817 2.977 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@@H](n2cccn2)C1 2325703930 SWFWVOFAQNQONB-MRXNPFEDSA-N 368.416 2.755 0 50 FFAA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@@H](C)[C@H](C)[C@H]2C(=O)O)n1 2325815716 IGEZMAPORDGCKC-DFEHZGFQSA-N 355.438 2.708 0 50 FFAA CCC(=O)N1C[C@H](Nc2ncnc3c2cnn3C(C)(C)C)C2(CCC2)C1 2325867415 VMBUURCXROAZBY-AWEZNQCLSA-N 356.474 2.784 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2cc(Br)cs2)C1 2325888592 JBFMNWNFYFMKGG-JTQLQIEISA-N 357.273 2.551 0 50 FFAA O[C@]1(CN2CCCCC2)CCN(Cc2cnn(-c3ccccc3Cl)c2)C1 77539374 JTFQKMTVOPWHCV-FQEVSTJZSA-N 374.916 2.948 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2Cc2cn(-c3ccccc3)nn2)C1=O 2356138266 KKYPDYDPMFHUBI-HXUWFJFHSA-N 353.470 2.633 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)CCc2ccc(C)cc2C)C1=O 2356146310 AKPOWVBTOPKUMR-QFIPXVFZSA-N 372.509 2.866 0 50 FFAA O=C(C1CCCCCC1)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1 2356168176 SCHIOAYOLUAPQJ-WIYYLYMNSA-N 359.466 2.864 0 50 FFAA CCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 4027326 RFWQOKDGSGXSCY-CRAIPNDOSA-N 352.390 2.961 0 50 FFAA biogenic Cc1cccc(-c2nnc(S)n2CCC(=O)NC[C@H]2C[C@H]3CC[C@H]2O3)c1 225385979 GTVLJSTXFIAASP-BZUAXINKSA-N 372.494 2.616 0 50 FFAA CC(C)(C)c1ccc(NC(=O)Cn2cnnc2C(=O)c2cccnc2)cc1 225826282 KJENSVBIZZRKMM-UHFFFAOYSA-N 363.421 2.840 0 50 FFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)C(=O)N1CCCC[C@@H]1C 55270266 OTSFMOKXGSGDLB-AWEZNQCLSA-N 358.417 2.718 0 50 FFAA O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc([C@@H]2CCCN2)s1 23618998 IMSUYHPBCMRHOM-AWEZNQCLSA-N 356.451 2.955 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@@H](C)Cc3ccncc3)CCNCC2)cc1 65386039 SHGMFPKKEOYFDS-KRWDZBQOSA-N 353.466 2.638 0 50 FFAA CC[C@H]1CN(C(=O)c2coc(COc3ccc4ncccc4c3)n2)CCN1 67956048 WDBPVSFSNCGUBT-HNNXBMFYSA-N 366.421 2.626 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1cccc(F)c1 67605138 RMQHILQNADZTTE-OAQYLSRUSA-N 356.441 2.512 0 50 FFAA Fc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 20739954 KSMNXMIDGNWZHM-UHFFFAOYSA-N 366.322 2.609 0 50 FFAA O=C1CC(c2ccccc2)CC(=O)C1=CN[C@H](Cc1ccccc1)C(=O)O 22135416 XIEGZCYGJBLBSA-WHCXFUJUSA-N 363.413 2.872 0 50 FFAA CN1[C@@H](c2ccccc2Cl)[C@@H](C(=O)N2CCCC2)C[C@@]1(C)C(=O)O 67955360 FWSGYEQYXMRXEH-YEWWUXTCSA-N 350.846 2.799 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1cccc(-n2cccn2)c1 65407078 ALGLXOOVQFXSCB-INIZCTEOSA-N 359.433 2.761 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67841122 FTZSOYOSRFPMRS-UHFFFAOYSA-N 354.454 2.555 0 50 FFAA O=C1O[C@@H]2CN(Cc3ccccn3)C[C@@H]2N1CCc1cccc(Cl)c1 39485772 ADZZBDDTWNLJFB-ZWKOTPCHSA-N 357.841 2.983 0 50 FFAA COc1ccccc1Cn1nc([C@@H]2CCCNC2)n(-c2ccccc2)c1=O 67741402 KFSZICVIMWRVKF-MRXNPFEDSA-N 364.449 2.558 0 50 FFAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)[C@H]1O 72158885 MTCCIDQBDHGFPR-UXHICEINSA-N 361.445 2.716 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)c1cc(COc2cccc(F)c2)[nH]n1 71753524 SYNRQSWTYQJHJE-HNNXBMFYSA-N 367.380 2.861 0 50 FFAA CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C 71760755 GJNWLKPCDKBMIH-IOMROCGXSA-N 364.493 2.983 0 50 FFAA COc1c(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)c(C)nn1C 328627259 FYTGKWOXUIABLN-KBPBESRZSA-N 352.479 2.501 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2CCCOc2ccc(F)cc2)n1 328642449 RBALEWBJRAQMLD-MRXNPFEDSA-N 374.416 2.707 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)NCc1nc(-c2ccccc2)n[nH]1 215574047 PSRQIJQUKGWDSG-UHFFFAOYSA-N 360.421 2.836 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(CCOC)Cc3ccccc3C)cnc21 77320956 SXQVDGJUQLGPFC-UHFFFAOYSA-N 367.453 2.631 0 50 FFAA CN1CC[C@H](NC(=O)[C@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)c(F)c1 332771888 QQHJUMOVPNACFK-IPELMVKDSA-N 374.387 2.666 0 50 FFAA O=C(c1cc2nc[nH]c2cc1F)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 333530649 YBVUXWQCPWCQQM-IYBDPMFKSA-N 364.424 2.906 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N(C[C@@H](C)C(=O)O)C3CC3)c2)n1 237384070 UTKUZYXQXHNGJG-CYBMUJFWSA-N 355.438 2.874 0 50 FFAA CN1C[C@]2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)OC1=O 72149751 PSQCWTMXRKCMMZ-NRFANRHFSA-N 350.418 2.949 0 50 FFAA O=C(O)c1cccnc1N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 77470219 XLWRUKAWZFOVGY-FQEVSTJZSA-N 357.454 2.931 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)NCCc1nc(-c2ccccn2)no1 223840739 YGNIDNNXSHOKQJ-UHFFFAOYSA-N 361.405 2.904 0 50 FFAA COc1ccc([C@H](CN(C)C)NCc2c(C)nc3sc(C)nn23)cc1 285316324 WRPVRTAIQMRYLT-INIZCTEOSA-N 359.499 2.809 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1ccccn1 82115051 WJXIKLDVFVTUPB-AWEZNQCLSA-N 357.841 2.932 0 50 FFAA CCn1ccnc1[C@@H](NC(=O)c1ccc2[nH]cnc2c1)C1CCOCC1 286655334 CUJCLRTWZNCTGM-KRWDZBQOSA-N 353.426 2.677 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)O)C3)CC2)n1C(F)F 426504004 NRZBEBILDVSSQV-ZDUSSCGKSA-N 369.412 2.593 0 50 FFAA Cc1ccc(OC2CN(C(=O)NC[C@H]3CCCN(C(=O)C(C)C)C3)C2)cc1 426488197 JTKNZCOZLGRPSF-QGZVFWFLSA-N 373.497 2.662 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c(F)cccc1Cl)C2 221236716 UOJBJAWQOMUTPC-NSHDSACASA-N 351.809 2.704 0 50 FFAA O=C(NCC[C@@H]1CCCCN1)NCC1CCN(CCc2ccccc2)CC1 426485524 BINVICOCIIYAIO-NRFANRHFSA-N 372.557 2.773 0 50 FFAA O=C(c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)N1[C@H]2CC[C@@H]1CCNC2 426697297 HLWOHYRCDFWLLK-MOPGFXCFSA-N 374.448 2.500 0 50 FFAA COc1ccc(-c2ccc(NC(=O)N3CCO[C@@H](CCN)C3)cc2)cc1 96140753 HRVFWMWRIFGYFG-IBGZPJMESA-N 355.438 2.944 0 50 FFAA Cc1ccc(-n2cnnn2)c(NC(=O)NCCc2csc(C(C)C)n2)c1 95518579 ZGJYHCLJEHKWLE-UHFFFAOYSA-N 371.470 2.915 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(c3nc4c(cc3C(N)=O)CCC4)C2)c1 95528745 BPNVFAJGRUDZAC-CQSZACIVSA-N 367.449 2.680 0 50 FFAA CC(=O)N1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 95383273 WASMXZRPKQJNAZ-UHFFFAOYSA-N 362.433 2.696 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)[C@@H](C(=O)O)c1ccc(N)nc1 95391672 BKBRUBXLAHWIFZ-GOSISDBHSA-N 360.502 2.910 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ccccn3)[nH]n2)o1 92001708 FFHDUOMBKKWKIZ-LJQANCHMSA-N 374.404 2.884 0 50 FFAA CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 97155803 ZICGUFJHZRHCHJ-INIZCTEOSA-N 358.438 2.832 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)n1 97294679 PKEDTNFDJIXARN-UHFFFAOYSA-N 371.485 2.685 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CO)c2ccccc2)cc1OC 230214716 LYQHRERPLCIMIW-INIZCTEOSA-N 367.405 2.557 0 50 FFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC1(N(C)C)CCOCC1 91474090 XTBYEQDBBHUVPZ-INIZCTEOSA-N 356.466 2.834 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)o1 92037876 AXYVZXNMNPLCRH-UHFFFAOYSA-N 372.465 2.736 0 50 FFAA Cc1nc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)cs1 95529929 ZMMIAVDNDUDUAA-UHFFFAOYSA-N 373.526 2.820 0 50 FFAA Cc1cc(C)nc(CCNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1 95392772 UTSZOEYGUVMRIY-IBGZPJMESA-N 352.482 2.632 0 50 FFAA Cc1cc(O)nc(S[C@H](C)C(=O)NCC2(COc3ccccc3)CC2)n1 253537041 VCFUEULFXNBMNK-CQSZACIVSA-N 373.478 2.947 0 50 FFAA CC(C)Cc1nnc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)s1 299061162 VEIMMNDNKDSZBU-LBPRGKRZSA-N 362.455 2.963 0 50 FFAA COCC1(CNC(=O)c2cccc(-c3cncc(N(C)C)n3)c2)CCC1 534640889 NGDXECWMUMCNIT-UHFFFAOYSA-N 354.454 2.756 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)no1 534655927 UOYMXAHNTCHUNB-SFHVURJKSA-N 364.405 2.721 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 551976986 QXCZLIINCYYBKS-MRXNPFEDSA-N 372.538 2.640 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cnc(-c3cccc(C)c3)nc1)CC2 299774793 JDZPHZFQNOUULJ-IRFCIJBXSA-N 353.466 2.956 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCC([C@H](O)c2ccccn2)CC1 299772175 ZNMYTLRTENFEEM-SFHVURJKSA-N 355.394 2.788 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2CCOC[C@H](CN(C)C)C2)c1 299765703 QFXXKEXIYUARBV-GOSISDBHSA-N 350.528 2.573 0 50 FFAA CC[C@H](COC)NC(=O)c1cnn(-c2nccc(-c3ccc(C)o3)n2)c1C 299778624 NQNNJHWCRKYNNH-CQSZACIVSA-N 369.425 2.694 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H](Cn1cccn1)c1ccccc1 827995185 FWCANLZDBOZPDX-FQEVSTJZSA-N 363.465 2.975 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCc2n[nH]c(C)c2C)C1 827822486 XHAQVPMIKSXGAT-GOSISDBHSA-N 354.498 2.873 0 50 FFAA CCCc1cc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)on1 823020266 DFLJOWWPOJUJHS-JNKARSBBSA-N 369.469 2.831 0 50 FFAA O=C(NCc1csc(-c2cnccn2)n1)c1cc2c(nc1O)CCCC2 670439938 AQQCHZCDAIMNOY-UHFFFAOYSA-N 367.434 2.510 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)N[C@H]1CCc2cc(F)ccc21 274744583 ZAYXBLZEPXJJJU-SFHVURJKSA-N 370.428 2.544 0 50 FFAA C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC(O)(c2ccc(F)cc2)C1 170599853 IAMGBWWDENFEQP-NSHDSACASA-N 350.340 2.634 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](n2nc(C)cc2C)C1 1506405513 BCCIZHCSPURKQM-INIZCTEOSA-N 363.483 2.761 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1nncn1C(C)C 1506420966 CNDGKLLUMHRKGW-UHFFFAOYSA-N 372.878 2.698 0 50 FFAA COc1cccc(CC(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c1 211981464 VZCQGRUBZLXANR-MSOLQXFVSA-N 357.381 2.704 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@H]2O)on1 1529159924 UUMVEUKDLDNTBK-YLJYHZDGSA-N 369.465 2.649 0 50 FFAA Cc1ccc2oc(C(=O)N3CCN4[C@@H](C5CC5)COC[C@H]4C3)c(C)c2c1 1529178094 IAEKDMLCIAEZJU-SJLPKXTDSA-N 354.450 2.985 0 50 FFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1cc(C(=O)O)ccc1C)C2 1704302258 GEKKPZZESRMVIY-AEFFLSMTSA-N 367.467 2.663 0 50 FFAA COc1ccc2c(C)c(C(=O)N3C[C@H](O)[C@H](Cc4cc(C)no4)C3)oc2c1 1704277901 KWQQJGMWEUSIOR-DYVFJYSZSA-N 370.405 2.722 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3ccc4cc(F)ccc4n3)C2)C1=O 12434890 LWDJEEKZUUETSM-NRFANRHFSA-N 371.456 2.835 0 50 FFAA COC[C@@H]1CCCCN1C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1 12447302 DMAOAQCFXQVUCG-AWEZNQCLSA-N 365.380 2.908 0 50 FFAA CSc1ncccc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 12479947 VIKPGPVDZCLBJY-IBGZPJMESA-N 359.495 2.668 0 50 FFAA O=C(NCC[C@@H]1CCCCO1)c1cc(CN2CCc3ccccc3C2)on1 15080359 AENUHZHWIXRDOP-SFHVURJKSA-N 369.465 2.922 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 15627354 OVDMBTFNMWGGSJ-UHFFFAOYSA-N 362.389 2.553 0 50 FFAA biogenic O=C(c1ccc(NC2CCCC2)nc1)N1CCCN(c2ncccn2)CC1 19219014 BLIMDQKPTVIKNL-UHFFFAOYSA-N 366.469 2.579 0 50 FFAA C[C@H](CCN1CCN(c2ccc(F)cc2)CC1)NC(=O)c1cccnc1 5141698 RSKQGBFMNPDPLR-MRXNPFEDSA-N 356.445 2.551 0 50 FFAA in-man Cc1cnn(C[C@H]2CN(Cc3cnn(-c4ccc(Cl)cc4)c3)CCO2)c1 122373232 TWAKKDBTRKYKHD-LJQANCHMSA-N 371.872 2.932 0 50 FFAA CO[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O)c1ccc(O)cc1 908842958 SYUAOQMOSCDVCT-KBXCAEBGSA-N 357.406 2.829 0 50 FFAA COc1ccc(C(=O)N2CC[C@@](F)(CO)C2)c(OC2CCCCC2)c1 952845168 DVUBXTXRFIJFLW-IBGZPJMESA-N 351.418 2.953 0 50 FFAA C=CC(=O)N1CC([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 1875389075 ASCDCHKCTRYFKR-NSHDSACASA-N 359.813 2.758 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1 1875373670 KCQXMAQFHZKTNR-QGZVFWFLSA-N 354.454 2.739 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)c2nnc(-c3ccccc3)s2)C1 1875371251 VAEDZOCOQOVDRK-CQSZACIVSA-N 356.451 2.593 0 50 FFAA COc1ccc2ccc(NC(=O)N[C@H]3CCn4c(C)cnc4C3)cc2n1 1875330599 VAYVIVGBCXPTKZ-HNNXBMFYSA-N 351.410 2.885 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(C(=O)c3ccc4c(c3)CCC=C4)C2)n1 886096474 IWNHNKYAGJPNRL-HXUWFJFHSA-N 353.422 2.547 0 50 FFAA Cn1nc(-c2ccncc2)cc1C(=O)N1CCCNC[C@@H]1c1ccccc1 2325779311 XRZACMNCDMFBAT-HXUWFJFHSA-N 361.449 2.659 0 50 FFAA Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CC[C@@H](N)C4)cn3)c2)n1 2325796706 FUJGUYWDZGQCSU-GOSISDBHSA-N 361.449 2.724 0 50 FFAA COCCn1cc(C(=O)NC2(c3ccccc3F)CC(C)C2)c(=O)cc1C 2325800964 OXITYYDXSGHWQW-UHFFFAOYSA-N 372.440 2.997 0 50 FFAA O=C(c1cnn(-c2cccc(F)c2)c1)N1CCN[C@@H](c2cccc(F)c2)C1 2325855886 SKCHCNWEAZLPII-LJQANCHMSA-N 368.387 2.937 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1 2325889699 JVGQSOKSCCTGKJ-UHFFFAOYSA-N 351.362 2.533 0 50 FFAA CCCC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1C 1144617 HYGUVAJZZNRLCY-UHFFFAOYSA-N 365.389 2.675 0 50 FFAA Cc1cc(C)c(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)c1 225414886 OVWPJVJPMIRUFK-MWDXBVQZSA-N 367.449 2.540 0 50 FFAA O=C(Cn1ccnc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 53898683 UYWRNYTWCZDOIB-UHFFFAOYSA-N 360.461 2.817 0 50 FFAA CCc1nc(C)c(NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)s1 417767637 CZIXQAIXNWLUJV-HTQZYQBOSA-N 351.350 2.741 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C(=O)N1c1ccccc1 246281553 KBALBUQQVJCOBV-QGPMSJSTSA-N 369.421 2.557 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(C)c(O)c(C)c3)C[C@H]2CCO)o1 104380086 ZLEUAKQWCLLHQG-LJQANCHMSA-N 358.482 2.979 0 50 FFAA O=C(Nc1cc(C2CCCC2)[nH]n1)[C@H]1CN(Cc2ccccc2)CCO1 133864513 SGAZBWPBYDINOG-GOSISDBHSA-N 354.454 2.907 0 50 FFAA COc1ccc(-c2cn(C3CCN(Cc4cccnc4N)CC3)nn2)cc1 20455759 NUNMJVOHXUHHQP-UHFFFAOYSA-N 364.453 2.768 0 50 FFAA O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1COc2ccc(F)cc2C1 1324625998 VZFNWUSPIMTFKU-WMZOPIPTSA-N 371.408 2.969 0 50 FFAA O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCC(=O)N(C2CC2)C1 12459666 OBYUPHXMDYSCDJ-GFCCVEGCSA-N 356.344 2.602 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)NCc1ccco1 20479676 IFYNYGKADWBXIH-UHFFFAOYSA-N 365.836 2.506 0 50 FFAA CC1=NO[C@@H](C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)C1 67965582 DGBHQBHLSHWCAV-LJQANCHMSA-N 352.438 2.871 0 50 FFAA O=C1C[C@@H](COC(=O)COc2cc(Cl)c(Cl)cc2Cl)CN1 120179573 LDSIEDQWKRFLAW-SSDOTTSWSA-N 352.601 2.705 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H]2CCCN(Cc3ccccn3)C2)c(C)s1 72133239 IHXNKOLCTCDVRA-INIZCTEOSA-N 365.524 2.703 0 50 FFAA Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)nc(C)n1 215765650 JGBWKRUSYNNLDV-UHFFFAOYSA-N 354.498 2.820 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(Cc3cccc4c3OCO4)CC2)no1 328654774 XUOIZGICXCXISR-INIZCTEOSA-N 358.442 2.593 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(C)cc2)C(=O)C1 72169749 KORTWYHEJUACFZ-UHFFFAOYSA-N 360.889 2.789 0 50 FFAA CCOC(=O)CSc1nc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 8667038 SCVQQDMTLYQKAC-UHFFFAOYSA-N 374.344 2.731 0 50 FFAA CCN1CC2(CCN(C(=O)CCCc3ccc(OC)cc3)CC2)OC1=O 77536474 MYJQZBQJWIOTIP-UHFFFAOYSA-N 360.454 2.851 0 50 FFAA CN(c1ccccc1F)S(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1 481466205 MHDRCAMPAXXGSZ-UHFFFAOYSA-N 365.382 2.698 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 71763795 NVMFGSZRGZHDAR-PWRODBHTSA-N 362.477 2.796 0 50 FFAA O=C(NC1CCCC1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72479759 DWRIZUWYZCLHAC-UHFFFAOYSA-N 372.425 2.671 0 50 FFAA NC(=O)NCCC(=O)N1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 365710092 GULXJAUQFYBQNI-MRXNPFEDSA-N 353.422 2.853 0 50 FFAA Cc1cnc(C)c(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)n1 77285984 YJMDHHWHFAMZED-UHFFFAOYSA-N 369.517 2.592 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CCc4nc[nH]c4[C@H]3C(=O)O)coc2c1C 72428283 BGNQWBJQVFVSPK-SFHVURJKSA-N 367.405 2.834 0 50 FFAA O=C(c1ccc(S(=O)(=O)C2CCC2)cc1)N1CCOCC12CCCC2 333120526 ICPJXDKMSYTGKR-UHFFFAOYSA-N 363.479 2.798 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)c1nc(C2CC2)nc2c1CCNCC2 72447544 MFLGKRMYLOINMK-LJQANCHMSA-N 352.482 2.602 0 50 FFAA CCOc1c(Cl)cc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1OC 282678086 KCDDOTZOJWDYSK-CQSZACIVSA-N 366.845 2.678 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)cc2c1 237897731 UGMPHTRQAMDHEF-MRXNPFEDSA-N 356.422 2.948 0 50 FFAA COCCc1ncc(CN2CCN(c3ccccc3OC)C(C)(C)C2)cn1 72165072 ZKUHSSQPXVNEKD-UHFFFAOYSA-N 370.497 2.775 0 50 FFAA O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CCOCC(F)(F)C1 377492309 PMHUFRQNAPVVRT-CYBMUJFWSA-N 374.359 2.883 0 50 FFAA COc1ccccc1CCC(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223338672 WIMMIWAWKAJWHA-CEXWTWQISA-N 354.450 2.521 0 50 FFAA N[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 82097650 ZJAQJCSVGQJSRX-OBQMCUGOSA-N 356.445 2.781 0 50 FFAA O=C(N[C@H]1COC2(CCCCC2)C1)C1CCN(C(=O)c2ccncc2)CC1 426584852 SHJGWIHGHIFHKS-GOSISDBHSA-N 371.481 2.542 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)nn1 263444166 QKSLKEILNKJXIC-AWEZNQCLSA-N 360.389 2.574 0 50 FFAA CN(CC(=O)N1CCCC[C@@H]1CCn1ccnc1)Cc1ccccc1F 91616611 ZOTXKBKIKQFDNH-GOSISDBHSA-N 358.461 2.925 0 50 FFAA O=C(NC[C@H]1CCc2ccccc2O1)C1CCN(C(=O)C2CCCC2)CC1 91756572 JODSVTQVUWPFIW-LJQANCHMSA-N 370.493 2.925 0 50 FFAA COc1coc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1=O 95375061 HGEWUMHNBVWFTI-ZDUSSCGKSA-N 367.405 2.620 0 50 FFAA CCNC(=O)c1ccnc(N2CCN(c3ccccc3OC)C(C)(C)C2)c1 96151218 MAWCQYANJBBQJO-UHFFFAOYSA-N 368.481 2.945 0 50 FFAA Cc1cccnc1[C@@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 97370548 KYYPJIOSFWYCCG-SFHVURJKSA-N 373.478 2.535 0 50 FFAA Cc1ccc(CCC(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1 92022196 RUADAPWVQNGHBB-UHFFFAOYSA-N 372.509 2.541 0 50 FFAA C[C@@H]1CN([C@@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 237433741 JDMLCLQTZMGLSC-DYVFJYSZSA-N 366.868 2.764 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)NCCCn1cc(Cl)cn1 95526515 WYYAJNZBNANYMK-UHFFFAOYSA-N 365.821 2.715 0 50 FFAA Cc1ccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)s1 91964478 NRDGPSGELVQZIE-UHFFFAOYSA-N 356.499 2.809 0 50 FFAA Cc1nc2cc(CNC(=O)[C@H](c3cccc(F)c3)N(C)C)ccc2n1C 95360014 LSEUHWLYGRDENK-IBGZPJMESA-N 354.429 2.940 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)[nH]n2)s1 91452052 DOHRONUZLDOEAZ-CYBMUJFWSA-N 368.466 2.635 0 50 FFAA COc1cc(NC(=O)CCN2CC[C@@](O)(c3ccccc3)C2)cc(OC)c1 244898881 ZDFNHTUDNLCPCQ-NRFANRHFSA-N 370.449 2.626 0 50 FFAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCn1c(C)ccc1C 253411164 OHJDHCBIQFHJEI-IBGZPJMESA-N 353.466 2.585 0 50 FFAA biogenic O=C(NCC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 185064412 LRYRPNUNYOOOJI-FQEVSTJZSA-N 370.836 2.728 0 50 FFAA CC1(C)CCc2nc(O)c(C(=O)NCc3ccc4cncn4c3)cc2C1 1325538729 NGXZHWMTUJIWIB-UHFFFAOYSA-N 350.422 2.880 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)Nc2ccc3c(c2)CCC3)N1 299774896 IWPIQSWPXZTOFN-IBGZPJMESA-N 364.449 2.883 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 299801126 YNBBFPBTEDIZOK-GJZGRUSLSA-N 357.376 2.768 0 50 FFAA Cc1nnc(-c2ccc(C)c(NC(=O)NC(C)(C)c3nnc(N)s3)c2)o1 299779581 QYNGMBALCDKJKR-UHFFFAOYSA-N 373.442 2.844 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)CCN2Cc3ccccc3C2=O)cc1 828047933 ZBTIINBUDDUVEA-UHFFFAOYSA-N 365.433 2.809 0 50 FFAA CCCn1ncnc1-c1cccc(C(=O)NCCCn2ccnc2C)c1 584897661 AWHYKGCBCYVDLS-UHFFFAOYSA-N 352.442 2.680 0 50 FFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)NCCc1nc(C2CC2)no1 584898411 HTENNERTKVZLNB-UHFFFAOYSA-N 366.425 2.721 0 50 FFAA Cc1nc(CNC(=O)[C@H](CC(C)C)NC(=O)c2cccs2)cs1 670456207 NCMRZQMJCXFAPO-ZDUSSCGKSA-N 351.497 2.974 0 50 FFAA CN(C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C[C@@H]2C1 1355431616 DLSWOBWXUMUOLD-FDKIHUSFSA-N 356.510 2.995 0 50 FFAA Cc1cc(NC(=O)[C@H]2CN(C)c3ccccc3O2)ccc1N1CCCC1=O 952966296 IUIQXYPOYDMOGN-LJQANCHMSA-N 365.433 2.958 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)c(C)c1 952860401 OXDMSHREMHNONH-OTVXOJSOSA-N 370.457 2.630 0 50 FFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)nc(C)n1 1565527156 UIUTWBFAKMKFRV-APWZRJJASA-N 365.481 2.760 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)c(O)n1 275984026 OJAMVQQDXITYCD-KRWDZBQOSA-N 354.454 2.617 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 186644440 QJJYWWFJMRLPBH-AWEZNQCLSA-N 358.438 2.934 0 50 FFAA CCOC1CC(CN[C@@H](CC)c2ccc3c(c2)CCO3)(N2CCOCC2)C1 193393152 FNRIKTPCPQDYAG-FUHYEJFZSA-N 374.525 2.932 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 195229279 IDCAOEVWTBNMHL-OAHLLOKOSA-N 363.483 2.880 0 50 FFAA CCOCCc1nnc(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 1529181867 XIMWRSRFRZNSOM-ZDUSSCGKSA-N 364.471 2.561 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccccc1OC(F)F 1704315937 RWTQEJYLFXGNDI-UHFFFAOYSA-N 352.385 2.524 0 50 FFAA COC(=O)Cc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1122422 GBUJYKYOIDTYJK-UHFFFAOYSA-N 359.378 2.680 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)c1nnc([C@H](N)Cc2ccccc2)o1 1772702855 FDJLEQJKLLNULE-MRXNPFEDSA-N 366.469 2.941 0 50 FFAA Cc1ncc(CN2CCCN(C(=O)c3sccc3Cl)CC2)cn1 1772814485 BXNQCXQPQWXYPR-UHFFFAOYSA-N 350.875 2.848 0 50 FFAA O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5069316 RRSCCMSGGFJVDF-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA Cc1cc(C(=O)N(CC2CCN(C3CCCC3)CC2)C[C@@H]2CCCO2)n[nH]1 11661338 ODIHRSOWEUWXEM-IBGZPJMESA-N 374.529 2.994 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccccc3N3CCCC3)C2)CC1 11820598 SUHVPGOJRTWCND-SFHVURJKSA-N 370.541 2.575 0 50 FFAA C[C@@H](Cc1cccnc1)NC1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 12166556 NQSXCSLLJBJWJB-KRWDZBQOSA-N 366.509 2.973 0 50 FFAA CC1=C(C(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)OCCO1 12372938 UCNUVANROYPOGD-UHFFFAOYSA-N 358.438 2.922 0 50 FFAA CC(=O)NC[C@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 12708731 YDDIIDMZQSVPLB-CQSZACIVSA-N 362.861 2.662 0 50 FFAA Cn1c(CNC(=O)c2ccccn2)nnc1SCc1ccc(F)cc1 14988750 IGSNQMLDNDALCJ-UHFFFAOYSA-N 357.414 2.572 0 50 FFAA O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1 16475266 MXNVOFZWVOGEDA-SFHVURJKSA-N 363.417 2.745 0 50 FFAA COc1cccc(N2CCN(c3nc(C)c4c(n3)C[C@H](C)CC4=O)CC2)c1 16626005 XNWANXAZSHLZIP-AWEZNQCLSA-N 366.465 2.885 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(O)n2)cc1 16806875 WJWOXLACGXDDHN-UHFFFAOYSA-N 368.418 2.984 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669826 DHNFZLBTMFQHDC-ORAYPTAESA-N 357.362 2.635 0 50 FFAA c1cc(-c2nccn2C[C@@H]2CC3(CCNCC3)CO2)cc(-n2cccn2)c1 1857698683 DCEVASYJBXDSRK-IBGZPJMESA-N 363.465 2.895 0 50 FFAA CC(C)c1cc(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)no1 1857709566 GCZMVZPZOWQCES-FQEVSTJZSA-N 369.421 2.688 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)Cc3cccc(F)c3)[C@H]3CC[C@]2(C1)O3 1857733735 WPEUTIVMJFJSQN-GPQLQYNLSA-N 372.484 2.930 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Cc3c(F)cccc3Cl)C[C@]23CC[C@H]1O3 1857740952 VAELBLYRIVLOLF-FCZZECIWSA-N 366.864 2.589 0 50 FFAA COc1c(C(=O)O)cc(-c2ccc(=NC3CCCC3)[nH]n2)c(OC)c1OC 1875245009 GGZUCVZXBIQHOZ-UHFFFAOYSA-N 373.409 2.644 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N2CCc3nc(C(N)=O)cn3CC2)c1 1875249775 AFXZQPKTFSVFAT-UHFFFAOYSA-N 374.444 2.656 0 50 FFAA CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H](C(=O)O)C3)n2)cc1 236853844 HFGQECYBWNGCSZ-OAHLLOKOSA-N 357.410 2.726 0 50 FFAA Cc1nc(CCC(=O)NCC(=O)O)oc1-c1ccc(Br)cc1 237571545 INHGLIIEUNFBKZ-UHFFFAOYSA-N 367.199 2.546 0 50 FFAA Cc1cnn(CC(=O)N[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)c1 455906350 RXFDFSYPTXRNRJ-OAHLLOKOSA-N 356.209 2.615 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)cc1 366698164 IEGYWKMKQXQGJZ-ZIAGYGMSSA-N 362.426 2.539 0 50 FFAA CC1=CC2(CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)OCC1 1704357010 ALVMDNZSMOCCIJ-UHFFFAOYSA-N 356.451 2.942 0 50 FFAA CC(=O)Nc1ccc2c(c1)CN(c1ncc(C(=O)N(C)C)cc1Cl)CC2 872745927 MVBAPZBRAJMJKJ-UHFFFAOYSA-N 372.856 2.958 0 50 FFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NC[C@H](C)CN1CCCCC1 1875327706 HHUHHXGFZFQCFO-ZDUSSCGKSA-N 360.893 2.851 0 50 FFAA C[C@H](CCc1ccccc1F)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886085652 ZXTJLKTUFNPAAP-LSBZLQRGSA-N 358.461 2.832 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Cl)c2)NC(=O)N1 706377 MZQGFRTZYQDOMS-HIFRSBDPSA-N 350.802 2.690 0 50 FFAA O=S(=O)(CC[C@H]1CCCO1)NCc1cc(-c2ccccc2)ns1 2325783090 XYGMTQYYQOEUAH-CQSZACIVSA-N 352.481 2.799 0 50 FFAA C[C@@H]1Cn2nc(C(=O)N(C)c3ccc(-c4nccs4)cc3)cc2CN1 2325796111 UPWARVOTFFOXGF-GFCCVEGCSA-N 353.451 2.775 0 50 FFAA CSc1cnn(-c2ccccc2)c1NC(=O)CCn1ccccc1=O 150720536 GDJAXHLEFQMANY-UHFFFAOYSA-N 354.435 2.785 0 50 FFAA CCS(=O)(=O)NCCCS[C@@H]1CCCN(c2ccc(C)cc2)C1=O 152393278 JHILSZTYGQWIHW-MRXNPFEDSA-N 370.540 2.553 0 50 FFAA COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1Cl 1077781 BHNCPFOQINWAQM-UHFFFAOYSA-N 369.826 2.624 0 50 FFAA CCOC(=O)c1cnn(-c2ccc(F)cc2)c1I 2511827 CVNIAZNGEPUBBX-UHFFFAOYSA-N 360.126 2.793 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3noc4ccccc34)C1)CC2 2356159805 QYEDGWHWGYJKIK-NRFANRHFSA-N 362.433 2.975 0 50 FFAA COc1cc(F)c(CN2CCC[C@]23CCCN(C2CC2)C3=O)cc1OC 2356168980 RFHGWGUHIPTPCW-HXUWFJFHSA-N 362.445 2.962 0 50 FFAA O=C(c1cncc(Br)c1)N1CCN(c2ccccc2F)CC1 6821673 AXHQYDOUFCNSSS-UHFFFAOYSA-N 364.218 2.946 0 50 FFAA COc1ccc2[nH]c([C@H](C)NS(=O)(=O)c3cc(F)cc(F)c3)nc2c1 225548170 PYCFPVVAFKJSFR-VIFPVBQESA-N 367.377 2.889 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cn1 225698501 FIRMYWCHIFBYBZ-UHFFFAOYSA-N 353.831 2.546 0 50 FFAA O=C1[C@H](Sc2nccn2Cc2ccccn2)CCN1CC(F)(F)F 118180141 OSBJRLDGNCOKQO-GFCCVEGCSA-N 356.373 2.582 0 50 FFAA Cc1noc([C@H]2CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)n1 415979307 ZXKZCZGYRBEBNZ-NSHDSACASA-N 369.347 2.877 0 50 FFAA C[C@H](C(=O)NCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 55042007 GRRLCEIYLMTZTA-CYBMUJFWSA-N 366.870 2.811 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)CC1=CSC2=NCCCN12 102777953 CAMHWRASQBSLGI-UHFFFAOYSA-N 369.450 2.735 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(C)n2)C[C@H]1CCO 104486501 IOJIILXXTIPSLT-OAQYLSRUSA-N 369.509 2.858 0 50 FFAA O=C1NCCN(C(=O)c2ccc(-n3cccc3)cc2)[C@@H]1Cc1ccccc1 20598229 JYOIPLRIORUTKI-HXUWFJFHSA-N 359.429 2.661 0 50 FFAA COCCn1ccnc1CN1CCc2[nH]nc(/C=C/c3ccccc3)c2C1 20993685 INYHHYZNWJBQBT-BQYQJAHWSA-N 363.465 2.981 0 50 FFAA C[C@H](O)c1cn(C2CCN(CC(C)(C)CN3CCCCCC3)CC2)nn1 63848374 JFOJWEZGYIZTED-KRWDZBQOSA-N 363.550 2.871 0 50 FFAA C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)[C@@H]1OCCc2sccc21 421572563 DLXBQBMLXKNNTO-OTYXRUKQSA-N 371.505 2.645 0 50 FFAA CN(Cc1ccno1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2 65407474 TVVVYSKCPAMVIR-UHFFFAOYSA-N 365.437 2.549 0 50 FFAA CCC1=NO[C@H](CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1 65506638 RIYJCVJTNYYCRW-INIZCTEOSA-N 365.861 2.512 0 50 FFAA CCn1cncc1CN1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 72151810 ZJYFHDZUMLHESB-YPAWHYETSA-N 366.509 2.974 0 50 FFAA Cc1cc(C)n(Cc2ccc(NS(=O)(=O)NCc3ccccc3)cc2)n1 72149079 GVRUYDFCOLJOCT-UHFFFAOYSA-N 370.478 2.995 0 50 FFAA COc1cccc(CN2CCC[C@@H](NS(=O)(=O)c3cccs3)C2)c1 72157542 XSLRSYGDBRZQKW-OAHLLOKOSA-N 366.508 2.700 0 50 FFAA O=S1(=O)CCC[C@@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 329264637 GTXIEUUGNIGYSK-GOSISDBHSA-N 373.522 2.892 0 50 FFAA Cn1cccc(C(=O)NCc2csc(CCc3ccccc3)n2)c1=O 434559295 ORBWKZDYEJMWRU-UHFFFAOYSA-N 353.447 2.557 0 50 FFAA COCc1noc(-c2ccc(NCc3nncn3C3CCCCC3)nc2)n1 72475583 PLGNMOMQEDFIFY-UHFFFAOYSA-N 369.429 2.987 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC[C@H](O)C3)n2n1 72432604 AFAYGJSHXBRFOI-SFHVURJKSA-N 365.481 2.963 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1 366766191 CSRNRUARAOGKHP-RZQQEMMASA-N 370.453 2.981 0 50 FFAA Cc1nc2ccccc2nc1CN1CCN(CCC(C)C)[C@H](CCO)C1 39455168 ZWZQYTNTNLMMJE-GOSISDBHSA-N 356.514 2.853 0 50 FFAA Cc1nnc2n1CCC[C@H]2N1C(=O)CN(Cc2ccc(Cl)cc2)C1=O 369797589 WQHBMPKKDSCLAY-CQSZACIVSA-N 359.817 2.539 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1cc(-c2ccccc2)on1 77535497 QFTVOCYKJRKVHB-UHFFFAOYSA-N 368.437 2.981 0 50 FFAA CCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@H]1CCCO1 72432578 RYZUOEHCLOFORS-QGZVFWFLSA-N 357.454 2.859 0 50 FFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)C1 237193814 ZGWZUUVTILEOOD-UZYOAWRESA-N 352.862 2.828 0 50 FFAA CC[C@H](NC(=O)CCNC(=O)[C@H]1C[C@H]1C)c1nc(-c2ccccc2)c[nH]1 240555874 GXYPUVCKKNRZLU-KBMXLJTQSA-N 354.454 2.806 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@H](c3ccccc3)[C@@H]1C)C2=O 175754200 QBSRXQUBZRMWMZ-RDJZCZTQSA-N 362.429 2.996 0 50 FFAA Cc1csc(CCCNC(=O)Nc2ccccc2CC(=O)N(C)C)n1 426508142 TZUCGJYYMZUEDT-UHFFFAOYSA-N 360.483 2.837 0 50 FFAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)N1CCC[C@@]2(CCNC2)C1 426396324 ALICUVSISHMLAT-SFHVURJKSA-N 361.877 2.544 0 50 FFAA CSc1cccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 426691144 GITGTXPEJNGEHW-INIZCTEOSA-N 351.516 2.661 0 50 FFAA O=C(NCC1CCOCC1)N1CCC([C@@H](O)CCc2ccccc2)CC1 426535290 XGMTZMDLNUTOAO-FQEVSTJZSA-N 360.498 2.828 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2ccc3c(cnn3C)c2)c1 426622948 MOWGXJODWUJZHO-CQSZACIVSA-N 364.449 2.837 0 50 FFAA CC(C)(C)c1ccc(OC[C@H](O)CNC(=O)NCc2ccc(O)cc2)cc1 426380152 RYOATZNXIXKLGH-GOSISDBHSA-N 372.465 2.929 0 50 FFAA CN1CCC(C(=O)N2CCC[C@@H](c3nccn3C)C2)(c2ccccc2)CC1 82116969 FHKBGGAMAJMWJX-GOSISDBHSA-N 366.509 2.790 0 50 FFAA O=C(CCc1nc(-c2ccncc2)no1)N1CC(c2nc3ccccc3[nH]2)C1 426515818 YZXRAPCLGYUECY-UHFFFAOYSA-N 374.404 2.567 0 50 FFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 178972592 JLWNZEPNCUGFAQ-STQMWFEESA-N 355.276 2.593 0 50 FFAA COc1cc(C)c(CN(C)C(=O)c2cnc3n[nH]c(C)c3c2)cc1OC 194476749 RXOSCDWRPJOYST-UHFFFAOYSA-N 354.410 2.864 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)COc1ccc(C(C)=O)cc1)C2 91713191 LXUNEHLROCGYNN-OAHLLOKOSA-N 369.417 2.644 0 50 FFAA CCCc1nc(C(=O)NCCc2csc(-c3cnccn3)n2)cs1 91657219 AJTOZKGBDSGQIC-UHFFFAOYSA-N 359.480 2.982 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 91964813 FWUKGFIFYMXQIN-HNAYVOBHSA-N 355.482 2.616 0 50 FFAA Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)ccc1Br 239174467 QBKHHYZNQWXSRI-VMOOEMLUSA-N 350.212 2.894 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ncnc4ccsc34)c2)C1 426584036 OTSVYDJGDJGKGY-AWEZNQCLSA-N 366.446 2.696 0 50 FFAA CCc1c(C)nc(C)nc1N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95371916 MHRMMQLTKYKSJR-HRAATJIYSA-N 367.449 2.798 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccc(F)cc1F)C2 91662977 FCXSBFXVKHEFHO-XJKSGUPXSA-N 365.424 2.502 0 50 FFAA CN1CC[C@H](CNC(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)C1 426705606 GAXQZOPLNFTVKD-LJQANCHMSA-N 370.472 2.927 0 50 FFAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(N3CCSCC3)nn1)C2 91817579 LAFVUXWPUXHXGE-CQSZACIVSA-N 357.479 2.832 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)N1CCN(Cc2ccccn2)CC1 162632672 NWJKZKRTPAFWTG-UHFFFAOYSA-N 362.437 2.617 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1ccc(Cl)cc1)CC2 91997860 UFUVMCZGYNXKLE-QGZVFWFLSA-N 364.873 2.625 0 50 FFAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCCC1)c1n[nH]c2c1COCC2 97217713 MDAFAUHTVMNJIZ-SFHVURJKSA-N 372.444 2.579 0 50 FFAA CN1CCCN(C(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)CC1 95522847 PPTFPCSKFMKVGS-UHFFFAOYSA-N 358.486 2.872 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nnc(-c3ccccc3)o1)CO2 91943143 JTSDWPDPRUOUEE-HNNXBMFYSA-N 365.389 2.613 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1nccn1C 95501431 JBYWDNYKKXUGFG-GOSISDBHSA-N 372.488 2.976 0 50 FFAA COCCCN1CC[C@@H](CNC(=O)Nc2ccc3nc(C)c(C)nc3c2)C1 243932715 BYIPQNKSUHFJDJ-INIZCTEOSA-N 371.485 2.727 0 50 FFAA CN1C(=O)C[C@H](N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 248070113 XFEAIIKOUMBXPN-GHTZIAJQSA-N 359.429 2.873 0 50 FFAA biogenic COc1ccc2[nH]c(CNC(=O)[C@@H]3CCCCN3C(=O)C3CC3)cc2c1 252493426 NBTDFTWUSTWFRP-SFHVURJKSA-N 355.438 2.584 0 50 FFAA O=C(NC[C@H]1CCN(c2cccc(Cl)c2)C1)c1cnc(C2CC2)nc1O 534652360 CUNQHDNZAFZVTJ-GFCCVEGCSA-N 372.856 2.969 0 50 FFAA O=C(NCC1CCOCC1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 534576044 MYSIOGUZECSTDD-UHFFFAOYSA-N 365.433 2.879 0 50 FFAA O=C(c1cccc(-c2cnccn2)c1)N1CCCN(Cc2cccnc2)CC1 299770398 SXHPOMMZICVHTD-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 299787837 RPDAMOXHLASGSB-CYBMUJFWSA-N 369.421 2.542 0 50 FFAA O=c1c2cc(-c3ccccc3)sc2ncn1C[C@@H]1CCCN(CCO)C1 828760497 XRZRWBQTCZQPFL-OAHLLOKOSA-N 369.490 2.829 0 50 FFAA CCCN1CC[C@@H](NC(=O)N2CCC(N(C)Cc3ccccc3)CC2)C1 584891510 GMSVZFPJHWUFBT-LJQANCHMSA-N 358.530 2.777 0 50 FFAA Cc1ccccc1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565510706 UJAVGNJNEOAHKH-ROUUACIJSA-N 360.479 2.875 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(c3ncnc4[nH]ccc34)CC[C@@H]21 1565527553 BDBVLVUJLUKJIV-HIFRSBDPSA-N 359.499 2.528 0 50 FFAA Cc1oc(Br)cc1C(=O)NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 408500970 PMTHHOISFZTYON-WCABBAIRSA-N 362.245 2.599 0 50 FFAA CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1c(F)cccc1F 165299549 YKHIPKZREJTPQD-INIZCTEOSA-N 355.410 2.538 0 50 FFAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cccc4ccccc34)c2C1 277021724 WWXZWAOYUUUGTO-OAHLLOKOSA-N 362.433 2.987 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cs1 187035857 PSFWBQRYKGVSCN-XJKSGUPXSA-N 359.451 2.757 0 50 FFAA CS(=O)(=O)N(CCn1ccc2sccc2c1=O)Cc1ccccc1 188144514 XPDUNMKUPKADNT-UHFFFAOYSA-N 362.476 2.525 0 50 FFAA C[C@@H]1CCN(C(=O)NCCCc2ccc(Br)cc2F)[C@@H]1CO 190563091 WLKVATDDZAXVAT-IAQYHMDHSA-N 373.266 2.933 0 50 FFAA COc1ccccc1[C@H](CNc1cc(N2CCOCC2)ncn1)OC(C)C 192358535 ZNUXSLAQLMUJJR-SFHVURJKSA-N 372.469 2.900 0 50 FFAA CN(C)S(=O)(=O)c1ccc(NCc2cccc3c2OC(C)(C)C3)nc1 195316769 ISBZVFIXYSKDOA-UHFFFAOYSA-N 361.467 2.658 0 50 FFAA CCc1nc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n[nH]1 1506398281 OJGARUGVBXUESR-KRWDZBQOSA-N 373.476 2.765 0 50 FFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccc2c(c1)OCO2 1506401573 JSJLCBLHCIUMPW-UHFFFAOYSA-N 366.377 2.850 0 50 FFAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CC[C@@H]21 211952312 VLPFEPBEDBHMAD-UXHICEINSA-N 370.493 2.665 0 50 FFAA COc1ccc(OCC2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)cc1 1506415110 KXJJSRQEXQKUOT-UHFFFAOYSA-N 356.422 2.623 0 50 FFAA CC[C@H](C(=O)N(C)CCc1scnc1C)N1Cc2ccccc2C1=O 1506423818 XLEGMRDTCJMKPO-MRXNPFEDSA-N 357.479 2.887 0 50 FFAA Cn1nc(CC(=O)Nc2ccccc2Br)c2ccccc2c1=O 1127707 IXBCVTFHJJTEAP-UHFFFAOYSA-N 372.222 2.877 0 50 FFAA CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCC 5019774 ABGQCHQNCLMHSL-UHFFFAOYSA-N 356.894 2.949 0 50 FFAA CC1(C)C[C@@H](CN2CCC(CCC(=O)N3CCOCC3)CC2)CCO1 12050781 AQIGWSDSFWVOAY-SFHVURJKSA-N 352.519 2.543 0 50 FFAA CC(C)c1ccc(O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 12383014 IXHKHLKKIXKGAE-MRXNPFEDSA-N 354.454 2.716 0 50 FFAA Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 12404182 MTMIOQPVBYKRGC-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA O=C(NCc1n[nH]c2c1CCC2)c1coc(COc2cccc(F)c2F)n1 12434318 IVMGRKDVPZUPEL-UHFFFAOYSA-N 374.347 2.674 0 50 FFAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C)C1=O 14884979 CETAKOHBRYHCNC-HRAATJIYSA-N 372.465 2.503 0 50 FFAA CCCCOc1ccc(N2C(=O)C[C@@H](NCc3ccncc3)C2=O)cc1 19771955 TZHPSZIZGIRPJN-GOSISDBHSA-N 353.422 2.682 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 2749277 KZTABLWIZXQULZ-SNVBAGLBSA-N 354.332 2.534 0 50 FFAA Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)N(c3ccccc3)C2=O)c1 1318056 UISOWHYXTHBNFI-KRWDZBQOSA-N 355.419 2.513 0 50 FFAA CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCCCCC2)cc1 4867421 COVYIBMQQUVFDB-UHFFFAOYSA-N 368.499 2.546 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2nc(C(C)C)cs2)cn1 1857693980 VWTGNSIGXJEMIO-UHFFFAOYSA-N 358.471 2.842 0 50 FFAA O=C(C[C@@H]1CCS(=O)(=O)C1)NCCOc1ccccc1-c1ccccc1 109203681 DRTODOCNXQRFTI-INIZCTEOSA-N 373.474 2.673 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1cnn(C)c1 266763674 HPTKVBBSUPJXSQ-XJKSGUPXSA-N 356.426 2.799 0 50 FFAA CC1(C)CN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)Cc2c[nH]nc21 1875285854 CXTNTVICJMCFNG-CYBMUJFWSA-N 353.344 2.782 0 50 FFAA O=C(c1ccc2c3c(cccc13)CC2)N1CC[C@H](c2cc(O)nc(O)n2)C1 1875270421 KLZVNNYWHHRNFR-AWEZNQCLSA-N 361.401 2.769 0 50 FFAA O=C(c1cncs1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccs1 1875309132 SMFLXDUZDOKQHE-OLZOCXBDSA-N 361.492 2.653 0 50 FFAA CC(C)c1ccc(-c2nc(C(=O)N[C@H](CC(=O)O)C(=O)O)cs2)cc1 1875323389 GTZSGXONYRTMBB-GFCCVEGCSA-N 362.407 2.591 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)C1 1875374296 JGBYKQBWNZMIFW-SZMVWBNQSA-N 356.466 2.824 0 50 FFAA Cn1cc([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cn1 1875396672 QLWWITAPNVLIOX-YVSFHVDLSA-N 363.502 2.844 0 50 FFAA CC(C)CCC(=O)N1CC(O)(c2cn(-c3ccc(C(C)C)cc3)nn2)C1 1875353833 HOGWELLLPCBQIA-UHFFFAOYSA-N 356.470 2.857 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(O)nc(C3CC3)c2)C1 888103151 LEJJNXWZWZADDS-ZBFHGGJFSA-N 356.426 2.607 0 50 FFAA CONC(=O)c1c(C(F)(F)F)ccc(F)c1I 1857779919 MMLMSTPJMQGXTB-UHFFFAOYSA-N 363.048 2.740 0 50 FFAA C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)O[C@H]1CCc2c(Cl)cccc21 2325721182 YGLPGOOLQHCHNI-MZPVMMEZSA-N 365.857 2.926 0 50 FFAA CC(C)(C)c1nccc(CCCNC(=O)NCc2ccn3ccnc3c2)n1 2325732842 LAJKRNAOGSSFTM-UHFFFAOYSA-N 366.469 2.854 0 50 FFAA CO[C@@H]1CN(C(=O)C[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@H]2COC[C@@H]12 2325783391 WBMZRLLJUOWVMP-NQNKBUKLSA-N 351.487 2.623 0 50 FFAA COc1ccc(Nc2nc(C(=O)N3CCc4nn(C)cc4C3)cs2)cc1 2325802688 UTYXDYPMLDXNFS-UHFFFAOYSA-N 369.450 2.827 0 50 FFAA CN(C)C1CCN(c2ccc(NC(=O)c3nnc4ccccn34)cc2)CC1 2325804380 JMLRLOUGNJVTGS-UHFFFAOYSA-N 364.453 2.512 0 50 FFAA CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1 2325854553 JSOWLCICQNGHLM-OKILXGFUSA-N 368.481 2.784 0 50 FFAA COc1cc2c(cc1CN1CCC[C@@]3(CCc4c[nH]nc43)C1)OCCO2 2356143855 YMDLRXTVEVIRGX-HXUWFJFHSA-N 355.438 2.670 0 50 FFAA O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2cccnc2)cs1 6681704 HYYQVYQPGMNOJV-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@H](Cn2cccn2)C1 111084756 GTBXGZSOZKAGTD-IBGZPJMESA-N 364.405 2.612 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cc(Cl)ccc1Cl 9225480 PYZCUHUAMFBDKA-OBJOEFQTSA-N 356.253 2.721 0 50 FFAA CCc1nc(C)sc1CN1CCN(C)[C@@]2(CCC(=O)N(CC)CC2)C1 107402807 LZYWAALOILWUOZ-LJQANCHMSA-N 364.559 2.533 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N3CCC4(CC3)NC(C)=NC4=O)c2c1 65371501 IBNBFIOVBBPMSO-UHFFFAOYSA-N 364.449 2.629 0 50 FFAA O=C1C[C@@H](c2cc3c(cc2Cl)OCO3)c2c(nc3ccccn23)CN1 65407559 ZJJCWGPXXNMLDZ-NSHDSACASA-N 355.781 2.868 0 50 FFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)NCc4ccc(F)cc4)c(=O)n1c23 170624678 RMTOXLCFDKCNMA-LLVKDONJSA-N 352.365 2.893 0 50 FFAA C[C@H](Cc1ccccn1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12449362 DLWGZEZCEDYOBM-GFCCVEGCSA-N 373.819 2.875 0 50 FFAA O=C(c1onc2ccccc12)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65505667 JAUHQUKZKVUNRW-XJKSGUPXSA-N 366.373 2.547 0 50 FFAA O=C(NCc1cccnc1)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 31818983 WZMDHYNYNADHSJ-UHFFFAOYSA-N 356.385 2.711 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2cc(OC)ccn2)[C@@H]1c1cnn(C)c1 328631343 KJRYCHFXLVZGBR-OXJNMPFZSA-N 357.502 2.729 0 50 FFAA CN1CCN(C(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)c2cccnc21 328608266 YMMMHBGGLOYGQS-FOIQADDNSA-N 353.397 2.744 0 50 FFAA C[C@@H]1C[C@@H]1COC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 230143978 TWHPKNPPMRVAII-JZKQVHKSSA-N 356.422 2.575 0 50 FFAA CC(C)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71422489 GBJPLGXPBGUTKO-HXUWFJFHSA-N 372.557 2.872 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 72167444 LHPVVQKTDFCOEZ-GOSISDBHSA-N 356.445 2.581 0 50 FFAA C[C@@H]1C[C@@H](CN)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 261919945 ZGQNQASEEFHDSQ-KGLIPLIRSA-N 367.478 2.805 0 50 FFAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1C 331588997 GTWRBEQKOBBJGT-GXTWGEPZSA-N 357.462 2.946 0 50 FFAA Cn1cc(-c2ncc(C(=O)Nc3ncc(C4CCNCC4)s3)s2)cn1 262056980 NKDUVXZIPALCNX-UHFFFAOYSA-N 374.495 2.719 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(CC3CCC3)CC2)C1 71415671 YCIJREJKGKECIR-FQEVSTJZSA-N 370.541 2.674 0 50 FFAA Cc1ccncc1CCCN1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 377704177 VZQHAIGYTINLSJ-MOPGFXCFSA-N 361.486 2.692 0 50 FFAA Cc1cc(N2CC[C@H](N3CC(C)(C)O[C@@]4(C[C@@H]5CC[C@H]4C5)C3)C2=O)n(C)n1 333028898 ADIMLLAHWQVHEN-JJDSTIRJSA-N 372.513 2.503 0 50 FFAA Cc1ncnc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)c1C 77438027 ZQKJYTXAXOVEGQ-UHFFFAOYSA-N 369.517 2.592 0 50 FFAA Cc1ccc(C2=NO[C@H](CNC(=O)Cn3ccc(C(F)(F)F)n3)C2)cc1 282221324 SPODKVPAKHFVFZ-ZDUSSCGKSA-N 366.343 2.520 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(C(=O)O)CC1 237485117 PHGYMSAUMYCZHJ-SECBINFHSA-N 374.206 2.679 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@@H]([C@H](C)N)C3)n2)n1 237512467 OBVZETXGPSJFEH-UONOGXRCSA-N 361.877 2.737 0 50 FFAA CC(=O)Nc1ccc(-c2nccn2Cc2cccc(-c3nnn[nH]3)c2)cc1 77355550 ODCRKSAWCIGBTO-UHFFFAOYSA-N 359.393 2.737 0 50 FFAA COc1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1OC 72233827 DDPUBIBOQPPIIG-RYUDHWBXSA-N 367.398 2.545 0 50 FFAA C[C@H](CC(=O)O)CC(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O 17074249 IILAHVKJDNHGII-NSHDSACASA-N 360.435 2.877 0 50 FFAA CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc(Cl)s2)C[C@H]1O 42976612 XNDGJUQVRHRKSB-IAGOWNOFSA-N 365.930 2.906 0 50 FFAA O[C@@]1(c2nc(C3CC3)no2)CCN(Cc2cc(-c3ccccc3)on2)C1 286200172 PXUXFLNRAJHXCM-IBGZPJMESA-N 352.394 2.696 0 50 FFAA CCC[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1NS(C)(=O)=O 82137141 CRMXPZSXPVWFLS-UKRRQHHQSA-N 364.433 2.855 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1c(F)ccc(F)c1F 222441099 CZIHCQMPCQNTQC-CVEARBPZSA-N 357.372 2.903 0 50 FFAA COCc1noc(CCNC(=O)c2cccc(-c3cccc(OC)c3)c2)n1 223941189 NTZSGVAAUDQTIX-UHFFFAOYSA-N 367.405 2.864 0 50 FFAA CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cc(C)n[nH]1 82114374 IARMMUMAYDTHRQ-HNNXBMFYSA-N 370.453 2.775 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1=O 82099016 KJPJZBQLGOQXRH-UHFFFAOYSA-N 368.408 2.972 0 50 FFAA CC1=C(c2ccccc2)[C@H]1C(=O)NC1CCN(C2CCN(C)CC2)CC1 221280263 CZWLMWDEXROZDU-NRFANRHFSA-N 353.510 2.765 0 50 FFAA CCC[C@@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C[C@H]1NC(C)=O 82166675 ADAVHOBPLRKMQS-RHSMWYFYSA-N 357.454 2.564 0 50 FFAA Cc1nn2c(ncc3c(=O)n(CCCN(C)C)ccc32)c1-c1ccccc1 40387983 YOVBDHZELLEQIA-UHFFFAOYSA-N 361.449 2.971 0 50 FFAA O=C(c1scc2c1CCCC2)N1CCC[C@@H](c2ccn(CCO)n2)C1 426406308 PJPYOGTXUKKVGF-CQSZACIVSA-N 359.495 2.836 0 50 FFAA Cc1nn(C)c(C)c1CN(Cc1cnc(N2CCCCC2)nc1)C1CC1 220291612 KLQXOQIIBZBSQT-UHFFFAOYSA-N 354.502 2.982 0 50 FFAA Cc1cccc(N2CC[C@H](CNC(=O)c3cc(C(C)(C)C)nc(=O)[nH]3)C2)c1 220313636 WUOFISBMCNEMOI-OAHLLOKOSA-N 368.481 2.632 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@H](C)n2ccnc2C)n1 222693555 QYJGXYJAKVJMAH-NSHDSACASA-N 355.364 2.619 0 50 FFAA Cc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1C 82093325 XYQTVCHQRMPIJK-UHFFFAOYSA-N 355.486 2.677 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)Nc2ccc(OC)nc2)c1C 96180550 GNJKTANFYYOQRO-UHFFFAOYSA-N 361.446 2.604 0 50 FFAA CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1cc(N(C)C)ncn1 290564296 DUIPMZCNOGZOCF-UHFFFAOYSA-N 360.365 2.682 0 50 FFAA COc1ccccc1-n1nc(CCSC)nc1CCN1CCCCC1=O 96150654 GVXWDGGXNLZGGA-UHFFFAOYSA-N 374.510 2.736 0 50 FFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1)CC2 97213216 YPAMREMCKUELCY-UHFFFAOYSA-N 365.481 2.761 0 50 FFAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239030654 CDXZRWCETYMXEM-KKOKHZNYSA-N 361.703 2.952 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(-c2ccncc2)n[nH]1)C1CC1 97137390 FJPHMNKASNSPDF-UHFFFAOYSA-N 350.426 2.627 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cnc(-c3ccncc3)nc2)s1 95357789 PWANWDKYHZYAKC-UHFFFAOYSA-N 372.479 2.611 0 50 FFAA COCCN1CC2(CCC1=O)CCN(Cc1ccc(C(C)=O)cc1)CC2 91908478 JKCXOZTVCOKSJG-UHFFFAOYSA-N 358.482 2.740 0 50 FFAA COc1ccc([C@]2(C(=O)N3CCC(OCCN(C)C)CC3)CC2(C)C)cc1 97527239 BAWHJVDRPKDJQU-QFIPXVFZSA-N 374.525 2.932 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)on1 95373990 KZOLDHZBZKCYIM-YJYMSZOUSA-N 371.412 2.828 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2 96162247 TXYRDNIFTMXVOG-SFHVURJKSA-N 355.438 2.673 0 50 FFAA O=C(NC1(c2cccc(Cl)c2)CC1)[C@@H](c1cccnc1)N1CCOCC1 95525035 YHHZWOXWXDXRLR-GOSISDBHSA-N 371.868 2.914 0 50 FFAA CC[C@H]1CN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)CCN1C(C)C 91908404 YGFBGKSLBWTQPF-KRWDZBQOSA-N 368.481 2.690 0 50 FFAA CCn1c(CN(C)Cc2nc3cc(Cl)ccc3[nH]2)nnc1[C@H]1C[C@H](N)C1 244601995 DVURGASEHHOUQB-AULYBMBSSA-N 373.892 2.664 0 50 FFAA Cc1ccc(CN(CCC(=O)N2CCC(C(=O)O)CC2)C2CC2)s1 244816996 SSMJLWMNWZBOMY-UHFFFAOYSA-N 350.484 2.734 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)CCc1ccccn1)[C@H]1C[C@H](O)C1 244584340 CXNBZICNVMCKRJ-OWDMVUQNSA-N 358.413 2.790 0 50 FFAA COc1cc(C)c(NC(=O)N2CCCNC(=O)[C@@H]2CC(C)C)cc1F 297003194 VDQRVSUJBAHCEA-HNNXBMFYSA-N 351.422 2.911 0 50 FFAA COc1ccc(CN2CCN(C(=O)N[C@@H](C)C3=CCCCC3)CC2=O)cc1 534581454 BMQNIBARQSVXCT-INIZCTEOSA-N 371.481 2.938 0 50 FFAA COc1ccccc1N1C[C@@H](NC(=O)c2cnc3c(c2)CCCC3)CC1=O 299799640 TVLJCGIRWBAUGT-INIZCTEOSA-N 365.433 2.504 0 50 FFAA CN(CCc1ccccn1)C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299802404 LPGNPYWNEBTDEG-UHFFFAOYSA-N 356.447 2.556 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C 299778362 HFJKWYGJCUPFGX-AWEZNQCLSA-N 360.845 2.534 0 50 FFAA CCC1=NO[C@H](CNC(=O)Nc2cc(-c3nnc(CC)o3)ccc2OC)C1 299763681 PBKRMIHIFVRHRV-ZDUSSCGKSA-N 373.413 2.984 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)OC13CCCCC3)C2 299789113 WYVJINNIGWLCCN-OAHLLOKOSA-N 357.454 2.783 0 50 FFAA CN(Cc1ccc(C(=O)N(C)C)o1)Cc1nccn1Cc1ccccc1 670450065 MAXOZEUEZALWJK-UHFFFAOYSA-N 352.438 2.858 0 50 FFAA O=C(Nc1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565514252 QAALJVXZEMMWQQ-WBMJQRKESA-N 374.441 2.937 0 50 FFAA Cc1cc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)c2ccccc2n1 301409843 OJGJWRMQCGBKLE-IBGZPJMESA-N 368.525 2.774 0 50 FFAA CCc1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n2ncnc2n1 302167202 LDKBVPGEWMNUMT-LBPRGKRZSA-N 365.363 2.744 0 50 FFAA Cc1cc(Br)ccc1OCc1nnnn1CC1CCOCC1 277444665 HHAKGJZSBRSMMB-UHFFFAOYSA-N 367.247 2.750 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CNc1ccc2oc(=O)[nH]c2c1 191949918 GNOWUWNFXBTGJW-UHFFFAOYSA-N 356.304 2.716 0 50 FFAA Cc1ccc([C@H](C)C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)o1 764877237 DKMOSINLCQLPGK-HNNXBMFYSA-N 355.438 2.755 0 50 FFAA Cc1nn(CCC(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c(C)c1C 213049460 JJWFAGIWAJLUNH-MSOLQXFVSA-N 373.428 2.664 0 50 FFAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1O 634908 FUANRXUQFRIYGT-OAHLLOKOSA-N 350.440 2.535 0 50 FFAA COc1ccccc1NC(=S)NC(=O)c1cncc(Br)c1 678567 ZINFACBPSAWDDA-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA CCNC(=O)c1ccc(N2CCC(c3nnc4n3CCCCC4)CC2)nc1 1529167028 DDDLETSUZAJOEP-UHFFFAOYSA-N 368.485 2.533 0 50 FFAA Cc1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2CC2CCNCC2)C1 216973878 QECFZFQLMKTUCR-RTWAWAEBSA-N 355.526 2.808 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)c2)cc1 1704311395 HTEMCPKTVLMCDZ-UXHICEINSA-N 364.445 2.591 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 1772701585 LKYBABLEQVFGIB-LJQANCHMSA-N 368.452 2.776 0 50 FFAA O=C(N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)c1ccsc1 12373179 OGPNJTKMJOEFAC-INIZCTEOSA-N 372.494 2.554 0 50 FFAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12404179 PCPSTCCENPSAJP-LJQANCHMSA-N 368.433 2.955 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NC[C@H]3CCCOC3)nc2)n1 19229523 GPUJGTPINYFESY-CYBMUJFWSA-N 360.483 2.869 0 50 FFAA CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccncc1 3501716 UKYCBCQNLYMUPT-KBPBESRZSA-N 359.499 2.957 0 50 FFAA CCC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 4842477 CRWWIPZQBHYLTC-UHFFFAOYSA-N 368.433 2.973 0 50 FFAA CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1 6698664 LFHWONVJPMEKMU-UHFFFAOYSA-N 370.463 2.722 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCO[C@@]2(CCN(CC3CCC3)C2)C1 1857683386 RPBBCFJDQCWOCG-JOCHJYFZSA-N 368.477 2.533 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)c1ccccn1 1857712697 MULHDYJEEBTASF-IXIUHKBRSA-N 369.490 2.553 0 50 FFAA COc1cccc(-c2nc(C)c(C(=O)N3CCC(=O)C[C@H]3C3CC3)[nH]2)c1 912189008 LPJCJAQEIBFPJC-KRWDZBQOSA-N 353.422 2.977 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1C 4660742 ALTVJKJFTGQOFY-UHFFFAOYSA-N 368.480 2.784 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CCC[C@H]([C@H](C)N)C1 237121635 DNTLNZDKASJAHO-JSGCOSHPSA-N 369.303 2.976 0 50 FFAA Cn1nccc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1 12705738 TUUXZIAWMJIRMX-HXUWFJFHSA-N 366.509 2.837 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1 263262291 GPPRCBGLFFIYEY-QGZVFWFLSA-N 355.390 2.581 0 50 FFAA O=C(N[C@H](C(=O)O)c1cccnc1)c1cccc(OCc2cccnc2)c1 1875315152 JUMPCDMOMUACQH-SFHVURJKSA-N 363.373 2.611 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 1875365230 CVLMTQZQXNLPRU-MOPGFXCFSA-N 374.456 2.929 0 50 FFAA Cn1nc(CC(=O)OC2CCN(c3ccc(Cl)cn3)CC2)cc1Cl 1875307022 HOBASWAMSIQYDC-UHFFFAOYSA-N 369.252 2.877 0 50 FFAA CC[C@@H](C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1 1215743 MCNVNMXLBZVQCP-CYBMUJFWSA-N 352.390 2.906 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1Br 1466620 GNZCXXUGXVYKDC-UHFFFAOYSA-N 359.179 2.684 0 50 FFAA O=C(c1cccnc1C(F)(F)F)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356143353 DMXCFHUSQRLCSI-INIZCTEOSA-N 350.344 2.944 0 50 FFAA C[C@H]1C(=O)N(Cc2ccccc2Cl)Cc2nnc(C3CCN(C)CC3)n21 2356159480 CKXPRTKPSKNOKP-ZDUSSCGKSA-N 373.888 2.844 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(COc3cccc4cnccc34)on2)CCN1C 55244586 LQXZLCMQJSRSCL-CQSZACIVSA-N 366.421 2.578 0 50 FFAA Cc1[nH]c2nc(NCc3cccc(Br)c3)nn2c(=O)c1Cl 101191863 XZPZBQZKUMZTCH-UHFFFAOYSA-N 368.622 2.754 0 50 FFAA CCOC(=O)[C@H]1C(=O)N(C(=O)c2ccc(OC)cc2)C[C@H]1c1ccccc1 601628 VOXWPPFAFMCDST-ZWKOTPCHSA-N 367.401 2.641 0 50 FFAA Cc1nc(Cn2ccc(-c3cccc(-c4ccc(N(C)C)nn4)c3)n2)no1 20999880 JXCPGBUVLKEGRF-UHFFFAOYSA-N 361.409 2.813 0 50 FFAA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC1(CO)COC1 134138728 YSHZZOCCWMPASA-UHFFFAOYSA-N 371.220 2.696 0 50 FFAA CSc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1 67613336 MGIUSYSWLQSRQJ-UHFFFAOYSA-N 361.448 2.937 0 50 FFAA Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)n1 67803764 ZFXXYUDHPDDPLS-MRXNPFEDSA-N 354.454 2.613 0 50 FFAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(Oc2ccc(C)c(C)c2)cc1 67982311 MJEKEOYEFIKKDH-PXNSSMCTSA-N 353.466 2.743 0 50 FFAA NCc1cn(C2CCN(Cc3ccc(OC4CCCC4)cc3)CC2)nn1 23398739 CSYJHZMAQDCOOX-UHFFFAOYSA-N 355.486 2.895 0 50 FFAA CC[C@@H](C(=O)N1CCCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 65364090 BTSRBLLGIINEIZ-HNNXBMFYSA-N 358.891 2.815 0 50 FFAA CCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)c1nnn[nH]1 119610051 ZKDDYHUDUHYXGH-MRXNPFEDSA-N 366.425 2.905 0 50 FFAA O=C1NCCCC[C@@H]1Nc1ccc(-c2nc(Cc3ccccc3)no2)cn1 39460627 FZGPZUMKGZDSFI-INIZCTEOSA-N 363.421 2.803 0 50 FFAA Cn1cc(Br)c(C(=O)Nc2ncc(Br)s2)n1 695987 ZOVAHQFLJJOZOH-UHFFFAOYSA-N 366.038 2.654 0 50 FFAA Cc1cc(C)n2nc(SCC(=O)NCc3ccccc3Cl)nc2n1 1420997 KENMDMPYOATHHL-UHFFFAOYSA-N 361.858 2.803 0 50 FFAA C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)N1CCC[C@@H](O)C1 229757145 LLWFHBHJLQULCO-XJKSGUPXSA-N 373.478 2.784 0 50 FFAA N=C(O)c1cnn2c1CC[C@H](CNCc1c(F)cccc1N1CCCC1)C2 328624492 CKCUXNCEPBYNKL-CQSZACIVSA-N 371.460 2.858 0 50 FFAA CCc1ncc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)s1 328627429 GCUWXOPFBHZMGI-LBPRGKRZSA-N 350.513 2.722 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(CCc2c(F)cccc2Cl)CC1 328606112 QMGZZJNCIDGSAH-CQSZACIVSA-N 370.852 2.809 0 50 FFAA CN(Cc1nc(C2CC2)n[nH]1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328625723 DLOIXPRJVJXRHF-JTQLQIEISA-N 354.380 2.592 0 50 FFAA O=c1oc2ccccc2n1C[C@@H]1c2nc[nH]c2CCN1Cc1ccccn1 72430612 YXHYFBCIGZNZMT-QGZVFWFLSA-N 361.405 2.512 0 50 FFAA CC[C@H](O)C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 11813504 CTJJGEJPVROMIR-ZDUSSCGKSA-N 374.470 2.674 0 50 FFAA COCCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 72145486 CGWPWHIFNWWUKZ-IBGZPJMESA-N 366.477 2.548 0 50 FFAA CC[C@H](C(=O)N1CCN(c2nc3ccccc3s2)CC1)n1cccn1 72407085 SGHZBABSKWGQEF-OAHLLOKOSA-N 355.467 2.793 0 50 FFAA CNc1nc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)ncc1F 77490091 XEMCLASMUUDRGR-IBGZPJMESA-N 361.465 2.809 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC2(CN3CCOCC3)CCCC2)c1 72477332 LIBXMNDDHVYVOG-UHFFFAOYSA-N 374.525 2.765 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccon2)C1 12575650 IFGHQMPJJQVZSE-OAHLLOKOSA-N 351.410 2.711 0 50 FFAA N=C(O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3C[C@]34CCOC4)cc2)C1 329633277 WOOVPWXGABDQHV-MDYRTPRTSA-N 357.454 2.799 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cc2O)cc1 77437482 REQHATYZVGNVNC-QGZVFWFLSA-N 355.438 2.510 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(c2cnc3ccccc3n2)CC1 77406115 MJFINHXHIPZCLZ-UHFFFAOYSA-N 365.485 2.687 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)Cc2ccccc2)CC1 77339057 HWKYEFXODCNHEQ-OAQYLSRUSA-N 353.462 2.564 0 50 FFAA Cc1ccn(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 219088525 OHCUYWUBMRYTFM-QYGXFBIXSA-N 364.449 2.758 0 50 FFAA O=C1CCN1c1ccc(NC(=O)N2CCc3ccccc3[C@@H]2CO)cc1 333302168 MNVTYLJKZPNHJZ-SFHVURJKSA-N 351.406 2.547 0 50 FFAA COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 128423312 LSNAZCUFRQTJPY-OAHLLOKOSA-N 368.437 2.651 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 238018994 OJHGFFISJIBAOD-OAHLLOKOSA-N 358.438 2.526 0 50 FFAA CN(C)CCn1ccc(NC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)n1 173916608 KAPGJBNSKAYOGG-GOSISDBHSA-N 370.501 2.577 0 50 FFAA C[C@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)O)CC1 173854856 XNWNMTBBPYESPS-CYBMUJFWSA-N 355.276 2.993 0 50 FFAA CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 241126064 JJELPRJDHKBZDV-TZMCWYRMSA-N 364.269 2.646 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 82138346 OIQKKDRGUFXRNH-NSHDSACASA-N 352.481 2.665 0 50 FFAA CCc1ccc(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)nc1 82091147 NUYDTNPKJCUWJF-UHFFFAOYSA-N 367.497 2.663 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772443 XNRNNGPBEPRNAR-YKPFZQKASA-N 370.486 2.769 0 50 FFAA in-vitro CN(C)[C@@H](C(=O)NCc1cc2cc(F)ccc2[nH]1)c1ccc2c(c1)OCO2 223939302 MJGRNJTYOICAMR-LJQANCHMSA-N 369.396 2.955 0 50 FFAA COCCN(CCOC)C(=O)NCc1cc(C(F)(F)F)ccc1F 426443440 SYWJWYJUOCNYOO-UHFFFAOYSA-N 352.328 2.649 0 50 FFAA O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CCC(Cc2ccccc2)CC1 91691294 MSWQPSDVAOVQET-UHFFFAOYSA-N 374.444 2.927 0 50 FFAA COc1cccc(N2C[C@H](C)N(C(=O)NCc3ccc(C)cc3)CC2=O)c1 426383306 OWRIKXHTOAKQLB-INIZCTEOSA-N 367.449 2.951 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1nc(-c3ccccc3Cl)no1)C2 91441484 BGEDXJQLZKJPDP-UONOGXRCSA-N 360.845 2.833 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1csc(C)n1)CC2 95504843 ZVVWIIDUQOOXOO-UHFFFAOYSA-N 359.499 2.574 0 50 FFAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cc(-c2ccccc2O)n[nH]1 95354343 DQKDONGZPGZXHV-CYBMUJFWSA-N 370.453 2.501 0 50 FFAA CCC[C@@H](NC(=O)Nc1cccc(Cn2cncn2)c1)c1nccn1C 426513736 RMNOUWCAWLJRQV-MRXNPFEDSA-N 353.430 2.723 0 50 FFAA COc1c(F)cccc1CN1CCC(N2CCC(C(=O)O)CC2)CC1 97631966 MYVDWDOGUFWAJL-UHFFFAOYSA-N 350.434 2.595 0 50 FFAA CCn1nc(C)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c1C 91445068 DIVPWGXSCKLOKB-JKSUJKDBSA-N 359.401 2.599 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccccn4)C3)CCC2=O)cn1 91444603 SVQZYWUMUKGYKE-NRFANRHFSA-N 365.481 2.585 0 50 FFAA CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c(=O)[nH]1 91664720 DASXYPZWZFJGJU-JKSUJKDBSA-N 372.396 2.578 0 50 FFAA CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n[nH]1 91781533 YAVGBVBVCQTQOA-HNAYVOBHSA-N 364.493 2.676 0 50 FFAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCN(c2ccccc2)CC1 92081555 JVNMIHGLLJUYCU-HXUWFJFHSA-N 362.477 2.777 0 50 FFAA CN(C)CCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1)CC2 91410962 JVJSZIFWSRJFGE-UHFFFAOYSA-N 372.513 2.875 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cn3ccsc3n2)n1 97813667 TXDBFISXVSEIMY-SECBINFHSA-N 371.388 2.986 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)cnc2ccnn12 97492420 BHDZBYLHVLUQQX-ZDUSSCGKSA-N 354.435 2.834 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(CCSC(C)C)C[C@H]21 95523374 AUPBDKVTNGPRQH-RDTXWAMCSA-N 351.468 2.699 0 50 FFAA O=C(Nc1cnn(Cc2cccc(F)c2)c1)N1CCC[C@H](c2nc[nH]n2)C1 95509890 NNOMJZNHKJHEDH-AWEZNQCLSA-N 369.404 2.600 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1C 91781045 VKGXFVHFYBGHAD-UHFFFAOYSA-N 373.541 2.770 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N(C)CCc1cnn(C)c1 97757879 SPERPLRMPSJLNM-UHFFFAOYSA-N 369.469 2.671 0 50 FFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 95371124 PRWKGFYKNVMTRC-NRFANRHFSA-N 371.525 2.609 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(N2CCOCC2)cc1 243901850 BEVCLENUSKJAAW-UHFFFAOYSA-N 356.470 2.568 0 50 FFAA Cc1cc(N2CCN(Cc3cc(C(N)=O)oc3C(C)(C)C)CC2)ccn1 243892731 AKCXIFBGPHZXLF-UHFFFAOYSA-N 356.470 2.702 0 50 FFAA CC(C)c1nc(CCNC(=O)c2ccc(CSc3ncccn3)o2)no1 244773698 PEWGDJKHBCYSMY-UHFFFAOYSA-N 373.438 2.841 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)cs1 299495967 OYHFKEHEUJDMEK-HNNXBMFYSA-N 364.515 2.686 0 50 FFAA CN(C)C1(CNC(=O)N2CCCN(c3ccc(F)cc3)CC2)CCCC1 534592660 TTZUKSCJEOUPLO-UHFFFAOYSA-N 362.493 2.922 0 50 FFAA CC(C)(C)c1cc(C(=O)NCCc2nc(N)n[nH]2)cc(C(C)(C)C)c1O 534578501 LQVLBVIOFIAMCK-UHFFFAOYSA-N 359.474 2.660 0 50 FFAA C[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1ccc2c(c1)OCCCO2 534636306 JSTYGWAVIGODTE-CYBMUJFWSA-N 355.438 2.951 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)NCC2(CN3CCOCC3)CC2)c1 534659671 FDDGZMSSCGOYSC-IBGZPJMESA-N 373.497 2.654 0 50 FFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Cl)cc1OCCCN 299783141 KANSYKJFLGXXPT-FICVDOATSA-N 352.862 2.850 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1nccnc1C)CC2 299788001 ZSGBQQPRCRLKLM-XKGZKEIXSA-N 354.454 2.771 0 50 FFAA CCn1ncnc1[C@H](NC(=O)c1nc(-c2ccccc2)[nH]c1C)C1CC1 299792910 HFZDCLWAGXOHOR-MRXNPFEDSA-N 350.426 2.878 0 50 FFAA COc1cc(C)c(-c2ccc(C(=O)N[C@H](C)c3ncnn3C)cc2)cn1 584884309 STKTZBJKOWRQHO-CYBMUJFWSA-N 351.410 2.685 0 50 FFAA O[C@H](c1cc(F)ccc1F)C1CCN(Cc2cnc3ccnn3c2)CC1 839160982 XYVPCFAVFNHZOQ-IBGZPJMESA-N 358.392 2.953 0 50 FFAA CN(CC(=O)Nc1ccccc1CN1CCOCC1)Cc1ccc(F)cc1 952873742 ZSFAUEBCRGHKSJ-UHFFFAOYSA-N 371.456 2.728 0 50 FFAA Cc1ccc(CC(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 275415455 SPILLBNWRBWTCC-QGZVFWFLSA-N 358.442 2.723 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Oc3ccccc3)o2)cn1 275589334 PQXICQBZUWIOBM-XLIONFOSSA-N 366.421 2.915 0 50 FFAA Cc1ccc(CN2CC[C@@H](NC(=O)Cc3noc4ccccc34)C2=O)cc1 191621685 NAQLXJOERAGRSB-QGZVFWFLSA-N 363.417 2.596 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1C(F)(F)F 191868219 NOMGBKVUDRESGI-OLZOCXBDSA-N 367.371 2.900 0 50 FFAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccsc1 766454564 VZJPQLCKPYZMCN-UHFFFAOYSA-N 360.254 2.558 0 50 FFAA CCC(CC)(CC)NC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529141506 KADBQEZCAKQFOC-MSOLQXFVSA-N 359.470 2.598 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529181626 SRJZMOQRSLDQNM-RBUKOAKNSA-N 366.465 2.843 0 50 FFAA Cc1ccnn1CCN1CCCN(C(=O)c2cccc3c2ccn3C)CC1 1529113835 KFWWGNKQXXCPAK-UHFFFAOYSA-N 365.481 2.531 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1cc(Br)ccc1Cl 237535108 AXEYRCYSEHSKEN-WPRPVWTQSA-N 367.696 2.603 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C)cc1C 1110012 UOBVKGSGJOYEBR-UHFFFAOYSA-N 363.435 2.909 0 50 FFAA COc1cc(-c2onc(N3CCO[C@@H](C4CC4)C3)c2C(=O)O)ccc1F 1704313121 FYXYQXLOEADBIF-CQSZACIVSA-N 362.357 2.803 0 50 FFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1 862529 OZPUQXCULVZENE-GOSISDBHSA-N 367.405 2.970 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 1772810249 FFJCABBAWYDOAO-HNNXBMFYSA-N 362.420 2.925 0 50 FFAA CC1=C(CN2C[C@@H]3CN(c4nncs4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772809552 ADBKETCUXAESST-DNVCBOLYSA-N 362.543 2.795 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@H](C)C2)c1=O 12280036 JJYKZVFDVILKOR-HNNXBMFYSA-N 361.486 2.687 0 50 FFAA Cc1ccc(-n2cc(CN(CCO)CCO)c(-c3ccc(F)cc3)n2)cc1 12373171 GASDQGLTQURASL-UHFFFAOYSA-N 369.440 2.773 0 50 FFAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)C1CC1 15068972 CBJAIHJSFHVELT-UHFFFAOYSA-N 357.454 2.694 0 50 FFAA CCOC(=O)N1CCC(NC[C@]2(c3cccc(F)c3)CCOC2)CC1 19782516 NDMKHQTWLPIDMP-LJQANCHMSA-N 350.434 2.694 0 50 FFAA Cc1ccccc1C(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19790459 CRUQMELHNNPHNX-ZDUSSCGKSA-N 351.661 2.753 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(Br)cn3)n[nH]c21 1857531168 CFHIGMFXTUPCBT-BDAKNGLRSA-N 365.231 2.519 0 50 FFAA CCc1cc(C(=O)N2C[C@H]3CCC[C@]3(c3nc(CC4CC4)no3)C2)n[nH]1 1857533206 XEQRVTHNJZNTNC-YJYMSZOUSA-N 355.442 2.502 0 50 FFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NCC1(Cn2cccn2)CC1 1857681077 XCQHTMRDOPUEFI-UHFFFAOYSA-N 353.401 2.931 0 50 FFAA N[C@H]1CCCC[C@H]1CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 423827393 NTULEJYQNFVZBC-JSGCOSHPSA-N 358.408 2.973 0 50 FFAA COc1ccc(CNCC[C@H]2CCC(=O)N2CCc2cccnc2)cc1 12454778 ZRVMRAZJZXIZTE-LJQANCHMSA-N 353.466 2.804 0 50 FFAA CC(C)(NC(=O)Nc1cnc(C2CC2)nc1)c1cn(-c2ccccc2)nn1 133324136 LJEHUIVDIZOMDX-UHFFFAOYSA-N 363.425 2.992 0 50 FFAA CC(C)Cn1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cn1 266410534 RBHCCHLSMODXGU-UHFFFAOYSA-N 373.432 2.668 0 50 FFAA O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2ncn3cccnc23)cc1 1875268387 JHEFWFKWKNTAPJ-UHFFFAOYSA-N 363.299 2.873 0 50 FFAA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1cc(C(C)C)n(-c4ccncc4)n1)C[C@@H]3C2 1875256636 LOLTWIFAAXHVKF-ZJHALOJTSA-N 366.465 2.886 0 50 FFAA CCN(C(=O)c1occ2c1CCOC2)[C@@H]1CCN(c2cc(C)nc(C)n2)C1 1875312565 OSYJWSIJKRVXJA-MRXNPFEDSA-N 370.453 2.500 0 50 FFAA Cc1n[nH]cc1C(=O)NC[C@H]1CCCN(c2nc3ccccc3s2)C1 1875338681 HJTBKUXFEFXOOQ-CYBMUJFWSA-N 355.467 2.974 0 50 FFAA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1nc2cccnc2[nH]1 1875306268 YVDCFUIIEXZBTO-RYZVSIALSA-N 371.466 2.598 0 50 FFAA Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccc(-c3ccccc3)o2)C1 886088550 JAYBCKZVXOHQID-FQEVSTJZSA-N 352.438 2.645 0 50 FFAA CN(C(=O)Cc1ccc(C(=O)O)nc1)[C@H](CN1CCCC1)c1ccccc1 2325805021 JYUPMGGJTOFEMR-LJQANCHMSA-N 367.449 2.618 0 50 FFAA O[C@H](Cn1cnc2c(N3CCC=C(c4ccccc4)C3)ncnc21)C(F)F 2325815476 LSQANLFUGSOAHO-OAHLLOKOSA-N 371.391 2.746 0 50 FFAA O=C(c1csc(-c2c(F)cccc2F)n1)N1C[C@H]2CC[C@@H](O)[C@H]2C1 899393157 FTHMKGQDWVRZDA-ISTVAULSSA-N 350.390 2.931 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cnnc2)ccc1Cl 679773 HQNYQBGJSWKGCR-UHFFFAOYSA-N 356.769 2.944 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cn4c(C)cccc4n3)C1)CC2 2356145833 KDVKJLIUINMUBD-NRFANRHFSA-N 361.449 2.861 0 50 FFAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7708529 OLXYAIUIENKOOZ-UHFFFAOYSA-N 358.419 2.817 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 8477115 DZJSRYFCWCPSBV-UHFFFAOYSA-N 364.389 2.706 0 50 FFAA O=C(O)c1ccccc1CN1CCN(c2nc(-c3ccccc3)no2)CC1 65373262 VAFOWODYQOZJHG-UHFFFAOYSA-N 364.405 2.757 0 50 FFAA COc1cccc2c1OC[C@H](N1CCN(c3nc4ccccc4o3)CC1)C2 59311798 GLYAXXKIEBRLQM-MRXNPFEDSA-N 365.433 2.962 0 50 FFAA CC[C@@H](NC(=O)c1cc(COc2cccc(F)c2)[nH]n1)c1nc(C)no1 67695473 IGHXAIJFHUENGY-CQSZACIVSA-N 359.361 2.700 0 50 FFAA CCn1cc(-c2c(-c3ccccc3)ncn2[C@H]2CCS(=O)(=O)C2)cn1 65398697 JWPOHEGRMNLCNY-INIZCTEOSA-N 356.451 2.793 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)o1 67742406 KXOQOWSBQUPFBS-OAQYLSRUSA-N 356.466 2.664 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)CCc3nc4ccccc4s3)C2)C1=O 67642434 UMODMWJTCLTWCR-LJQANCHMSA-N 357.479 2.700 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nn1 35597934 DKCWKTFOIWSQBZ-UHFFFAOYSA-N 350.344 2.766 0 50 FFAA COCCOCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77425254 HIDNCDPSGYMLAL-HNNXBMFYSA-N 361.417 2.585 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CC(Cc2ccccc2)=NO1 12242366 VLDRVHPJUDWGRM-IBGZPJMESA-N 352.438 2.635 0 50 FFAA COc1ccc(-c2noc(Cn3nc(C)c(C)c3C)n2)c(OC)c1OC 71752565 KZTIZAQZBHXJHM-UHFFFAOYSA-N 358.398 2.932 0 50 FFAA COCc1noc(CNc2cc(-c3ccccc3F)nc3ccnn23)n1 72123833 NORSVZWVZGAXIV-UHFFFAOYSA-N 354.345 2.677 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1nc(C(=O)O)cs1 124131333 SWNFUJBDFSQGNC-LBPRGKRZSA-N 360.435 2.976 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CC[C@H]1CCOC1)CC2 328628454 HGWFXFKZBLZCFB-JKSUJKDBSA-N 363.527 2.773 0 50 FFAA COc1cccc(CN2CCC[C@@H](N(Cc3cncnc3)C(C)=O)CC2)c1 328646089 SIUQZRJYZNCISG-HXUWFJFHSA-N 368.481 2.888 0 50 FFAA CCc1nc2c(N3CCN(c4cc(C)cc(C)c4)C(=O)C3)ncnc2o1 77300629 XHIFUHBGPQDYMM-UHFFFAOYSA-N 351.410 2.650 0 50 FFAA CC[C@@H](NC(=O)NCc1ccnc(-n2ccnc2)c1)c1nc(C)cs1 363568599 DEZIFKOMMVDXQX-CQSZACIVSA-N 356.455 2.983 0 50 FFAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)c3cccc(C)n3)CC2)c1 72411809 OIYJNSJSOFNCKH-UHFFFAOYSA-N 354.406 2.837 0 50 FFAA C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1cn(C)nc1C(F)(F)F 154985172 VKFIWZXFLYZQGX-LBPRGKRZSA-N 366.387 2.849 0 50 FFAA O=C1CCc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2N1 172657443 OSLGHZSWLUNTEQ-UHFFFAOYSA-N 351.406 2.660 0 50 FFAA COCCN1CCC[C@@]2(CCN(c3ccc(-c4ccccc4)nn3)C2)C1=O 72407506 DCSYFLKKBQAEQO-NRFANRHFSA-N 366.465 2.609 0 50 FFAA CC(=O)c1ccc(NC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 72146284 XOIWVDCCEVWXIE-IBGZPJMESA-N 359.470 2.998 0 50 FFAA Cc1noc(-c2ccc(N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)nc2)n1 71756871 CMGBYVWWIJTOLL-QGZVFWFLSA-N 369.469 2.913 0 50 FFAA Cc1c(O)cccc1C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 71765475 CJRSKYPIRIDHHK-UHFFFAOYSA-N 361.401 2.649 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N[C@H]3[C@@H]4CCO[C@@H]4[C@H]3COC)c2c1 219868320 NZHILRJOWIAUEE-HSCHXYMDSA-N 354.450 2.885 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc2nc(S)oc2c1 157438251 ZNWKKRSHXMEFKM-BDJLRTHQSA-N 350.465 2.901 0 50 FFAA CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)O 236957796 MYPVEBJGBHGHMN-UWVGGRQHSA-N 368.377 2.606 0 50 FFAA COc1ccc(-c2ncc(CN(C)Cc3nncn3C(C)C)cn2)cc1 215889029 SMEHEMKUUBSEMV-UHFFFAOYSA-N 352.442 2.957 0 50 FFAA O=C(NCCc1cscn1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 159121292 PEQVENFQWHZFDW-HNNXBMFYSA-N 353.394 2.747 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 159326430 SZSVQNLTJCKGFN-IBGZPJMESA-N 372.428 2.504 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)[C@@H]3CC=CCC3)CC2)c(C)n1 72475534 APIJGMVRIVPGRQ-MRXNPFEDSA-N 358.438 2.879 0 50 FFAA CO[C@](C)(C(=O)N1CCN(Cc2nc3ccccc3s2)CC1)C1CC1 240540899 GQBPOZWGNJHMEY-IBGZPJMESA-N 359.495 2.756 0 50 FFAA O=C(O)C1(Oc2ccc3ncccc3c2)CCN(C[C@H]2CCOC2)CC1 77471244 OWARTPRGDLVMRS-OAHLLOKOSA-N 356.422 2.569 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCc1n[nH]c(N)n1 72418783 SYJYKAJJIINBJA-UHFFFAOYSA-N 351.410 2.770 0 50 FFAA O=C(c1ccc(N2CCCC2)nn1)N1CCC(Nc2ccccc2F)CC1 174066446 QRRXOCUFNYYHJP-UHFFFAOYSA-N 369.444 2.933 0 50 FFAA O=C(CCn1cccn1)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82170881 CYHQVNOPNKOQHI-IBGZPJMESA-N 363.465 2.924 0 50 FFAA Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 220450522 GOFIRILOEOCGJR-IAGOWNOFSA-N 364.442 2.624 0 50 FFAA CC(C)O[C@H]1CN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C[C@@H]1O 82107960 VAUJYOPTTUYIPB-OALUTQOASA-N 365.433 2.612 0 50 FFAA CC(C)c1nccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 221306379 KLKCXCILPHLOMQ-UHFFFAOYSA-N 351.410 2.704 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@H]3CCCN(c4ccccn4)C3)C2)c1 82096737 NOZPYVJOHCMGMB-KRWDZBQOSA-N 351.450 2.896 0 50 FFAA CC1(C)[C@H]2CC=C(CCNC(=O)N3CCC(O)(Cn4ccnc4)CC3)[C@@H]1C2 426387812 IAWNEBMAOFCQCB-ROUUACIJSA-N 372.513 2.802 0 50 FFAA COC(=O)c1cc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)c[nH]1 426690794 ZJVFQLVZWJHJGV-UHFFFAOYSA-N 356.422 2.893 0 50 FFAA CN(C)c1nc2c(c(-c3ccc(C(=O)N[C@H]4CCOC4)cc3)n1)CCCC2 426424376 QLHVVDGPQKKZFV-INIZCTEOSA-N 366.465 2.607 0 50 FFAA CCCN(Cc1ccc(F)cc1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426412422 LDWLVCINNUPRMR-QGZVFWFLSA-N 358.461 2.928 0 50 FFAA C[C@@H](NC(=O)C1CCN(C2CCOCC2)CC1)c1nc2ccccc2[nH]1 97772798 SKVNFIVNQYOCKF-CQSZACIVSA-N 356.470 2.631 0 50 FFAA CCCN(Cc1nccn1C)C(=O)Nc1ccc2c(c1)O[C@@H](C)C(=O)N2C 96180953 SELFJWRPJKGFHB-ZDUSSCGKSA-N 371.441 2.608 0 50 FFAA Fc1ccccc1-n1nc(COc2ccccc2)nc1C[C@H]1CNCCO1 96153291 PRLXKLSKXDZETL-INIZCTEOSA-N 368.412 2.516 0 50 FFAA CN(C(=O)CN1CCn2nc(Cc3ccccc3)cc2C1)c1ccccc1 97660288 WNPIILZDPBWNIR-UHFFFAOYSA-N 360.461 2.953 0 50 FFAA OC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCCCCC1 91695529 DBAIKEZTYSIKOF-NHCUHLMSSA-N 368.525 2.789 0 50 FFAA CC(C)c1nc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cs1 91461035 IJYJTRZWNDEYMD-ACJLOTCBSA-N 352.500 2.906 0 50 FFAA COCC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 95525962 XLKSYYRUVRMVEV-HNNXBMFYSA-N 358.482 2.628 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N3CC(c4ccccn4)C3)CC2)c1 91550789 OPIBJINFUDBHIY-UHFFFAOYSA-N 364.493 2.528 0 50 FFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3cc(F)ccc13)C2 91876730 FDEJSZGDGQNJQO-UKRRQHHQSA-N 357.429 2.614 0 50 FFAA CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 294724589 LJEINAYWEXNJPA-HXUWFJFHSA-N 366.461 2.982 0 50 FFAA COC(=O)COc1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1 96152438 VYLKAVQNXSGHQN-QGZVFWFLSA-N 354.406 2.917 0 50 FFAA Cc1nc([C@@H](C)N(C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)s1 244787606 QAFXHMSWAIWOOX-SNVBAGLBSA-N 373.482 2.951 0 50 FFAA CC[C@@H](NS(=O)(=O)c1ccc(-c2c(C)noc2C)s1)[C@H]1C[C@H](O)C1 244685620 ITNZHRYCQFBIMT-JHJVBQTASA-N 370.496 2.848 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2c(C)[nH]c(C(=O)O)c2C)C1 299784895 ICISIRFEYKPYIA-MRXNPFEDSA-N 369.465 2.857 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1 820621052 BOFPJNTURGATQN-MRXNPFEDSA-N 362.539 2.923 0 50 FFAA O=C(NCCCn1cc(Cl)cn1)C1CCN(Cc2ccco2)CC1 952964696 BGWAXNTVQXUWNY-UHFFFAOYSA-N 350.850 2.548 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CCCN2CCCCC2=O)cc1 952965373 DZRBZUSDFHLBHL-OAHLLOKOSA-N 357.454 2.933 0 50 FFAA c1cc2c(cc1CN1C[C@@H]3CC[C@H]1CN(C1CCOCC1)C3)OCCO2 1565510144 PBWUREQOZFFPBI-HKUYNNGSSA-N 358.482 2.533 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2[nH]ccc2c1 1565512846 HFXGFKTXIYQEJF-OALUTQOASA-N 351.406 2.667 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 408473629 DXZHNWMRDMQRIZ-VQIMIIECSA-N 352.482 2.884 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C12CCCC2 170636829 KWHDXUCAQZVUQG-RCCFBDPRSA-N 357.450 2.964 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)CC1 186644410 GTFFBYIXXOLLCP-LLVKDONJSA-N 358.891 2.903 0 50 FFAA Cc1ccn(CC(=O)Nc2ccc(C)c(OCC3CCOCC3)c2)c(=O)c1 194748746 DQBOEINRSYTJEY-UHFFFAOYSA-N 370.449 2.909 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1615740293 URWGXBUDMIYXHE-YOEHRIQHSA-N 364.367 2.705 0 50 FFAA CCn1ncc(NC(=O)c2cccc(OCC(=O)N3CCCCC3)c2)c1C 1506418095 PBNDBERLQMHTBX-UHFFFAOYSA-N 370.453 2.855 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccccc1N1CCOCC1 1506419743 JHYHFRSGOYUBIK-UHFFFAOYSA-N 368.462 2.800 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CC1=O 1529119403 GXMWIGDEBCLBFF-IJEWVQPXSA-N 368.399 2.963 0 50 FFAA COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 680909 CTIYWPVGISVQGO-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA CC(C)(C)[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H](c2ccccc2)O1 1529173648 NLNGJFAKLYOVIX-DLBZAZTESA-N 352.500 2.815 0 50 FFAA COc1cccc(OC)c1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 222559810 WJHALWURVAOJKN-CABCVRRESA-N 373.380 2.783 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(CCC(C)(C)O)cc1 1704312504 FBOAICBHPQVGEP-UHFFFAOYSA-N 372.513 2.626 0 50 FFAA CN1CCC[C@]2(CO)CCN(Cc3cnn(-c4ccccc4Cl)c3)C[C@@H]12 1704338365 RXFZJENWHKOWHR-WOJBJXKFSA-N 374.916 2.804 0 50 FFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2 1704351887 TWSZQMGOOBISQG-WBVHZDCISA-N 366.439 2.904 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2cn3ccccc3n2)CCC1=O 11789394 KMJUULUWNDGPIS-UHFFFAOYSA-N 362.433 2.517 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)cs1 12073630 JYZBPJJOQCIIMJ-AWEZNQCLSA-N 374.462 2.755 0 50 FFAA Cc1cccc(CN2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)c1 15077149 ZPQQCUSDCWFRNY-IBGZPJMESA-N 362.437 2.574 0 50 FFAA COc1ccc(OC)c(NC(=O)c2cnc3sc(C)c(C)n3c2=O)c1 16651425 OAKKKEONDPHVTC-UHFFFAOYSA-N 359.407 2.642 0 50 FFAA CCc1ccc(CCOc2ccc(C[C@H]3SC(=N)NC3=O)cc2)nc1 16696673 ABGJULHDDNEULW-QGZVFWFLSA-N 355.463 2.974 0 50 FFAA in-vitro CCc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 2870697 XYGBYWZFSNKHGP-HNNXBMFYSA-N 360.479 2.892 0 50 FFAA O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467676 GYQBGRQLIJGENR-LBPRGKRZSA-N 368.455 2.927 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)O)C3(CCN(Cc4ncc[nH]4)CC3)C2)cc1 1857685930 AIVPYXOSWKEJHD-SFHVURJKSA-N 368.481 2.517 0 50 FFAA CC(C)=CCN1C[C@H](C(=O)O)C2(CCN(C(=O)c3cccc(C)n3)CC2)C1 1857691287 DBRGUCHNRVIUFB-QGZVFWFLSA-N 371.481 2.595 0 50 FFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3ccc4sc(=N)[nH]c4c3)C2)n1 1857718970 AMWZTXCNBYQQJP-GFCCVEGCSA-N 369.450 2.533 0 50 FFAA COc1ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cc1F 1857735353 ACAGPJNTXYYCQA-PMACEKPBSA-N 372.440 2.978 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c(C2CCCCC2)n1 408079465 JIOHEBGSMQVEHU-OAHLLOKOSA-N 368.485 2.860 0 50 FFAA NCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 2526812 WRSIVCZCMZKJLO-UHFFFAOYSA-N 370.449 2.517 0 50 FFAA in-vitro O=C1NCCN(C(=O)C(F)(F)c2c(F)cccc2F)[C@H]1c1ccccc1 756962085 VNCBMGXVTLBLBT-HNNXBMFYSA-N 366.314 2.756 0 50 FFAA CCOc1nc(C)ccc1C(=O)NCc1ccnc(OCC(F)F)c1 252509786 YVLUNSBRYNGEOB-UHFFFAOYSA-N 351.353 2.758 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)nnn1-c1ccccc1Cl 363395561 KYWLSVLLUWLDIA-OAHLLOKOSA-N 373.888 2.930 0 50 FFAA C=CC(=O)NCC(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1875303116 WNSINHVBJJSJKL-CQSZACIVSA-N 370.371 2.686 0 50 FFAA O=C(NC[C@@H]1CCCN(c2cnc(F)cn2)CC1)c1coc(C2CC2)n1 1875332014 JZSTZCIJZROWEF-GFCCVEGCSA-N 359.405 2.518 0 50 FFAA COC(=O)c1cc2ccccc2cc1OC[C@@H]1C[N@@]1Cc1cnn(C)c1 1875385363 ROLFYLLPXPWVQX-GAJHUEQPSA-N 351.406 2.623 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)C=C3CCCCC3)C2)ccn1 886095362 TVLIUOVPDPUMBJ-LJQANCHMSA-N 357.454 2.588 0 50 FFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)C3CC3)cc2)n1 888093342 BWHURBXHOGJOGN-CYBMUJFWSA-N 374.466 2.879 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc4ccccc4n(C)c3=O)C[C@H]2C1 2100537947 YKSUMQWJBZPZSK-USTZCAOPSA-N 367.493 2.729 0 50 FFAA CC1(C)C[C@@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CN1Cc1ccccc1 2325807541 BDPIMPHPVLYFFO-GOSISDBHSA-N 367.497 2.811 0 50 FFAA CC(C)(NC1=CC(=O)N(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 2325862755 HJYIFWMJDDNLNU-UHFFFAOYSA-N 350.374 2.697 0 50 FFAA Oc1cccc(OCc2cn(Cc3cn4cc(Cl)ccc4n3)nn2)c1 2325863307 DATBDAFJVAMBFT-UHFFFAOYSA-N 355.785 2.912 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 794633 XLQUTUSBPFBIPN-SJORKVTESA-N 356.422 2.918 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)n1 1114280 JPNJHTCUQUEJEX-NSHDSACASA-N 364.423 2.663 0 50 FFAA C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1 1282225 YVOLDOCGAIDGIH-ZDUSSCGKSA-N 366.446 2.801 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3cccc(F)c3)C2=O)cc1 3864317 MNSBLJMLIGRDSJ-SFHVURJKSA-N 356.397 2.689 0 50 FFAA COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2)cc1 4818684 CERIRWRTSUSBNL-UHFFFAOYSA-N 355.799 2.629 0 50 FFAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 6702810 DERFHCQNVWLADY-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA c1ccc(-c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)nc1 9049251 QKHMPZGKGZKYME-UHFFFAOYSA-N 351.391 2.610 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCN(Cc3cccnc3)CC2)c1C 67677159 AKMPNHQWJWIABP-UHFFFAOYSA-N 354.454 2.577 0 50 FFAA CCN(Cc1cc(Cl)ccc1OC)C(=O)C[C@H]1C=CS(=O)(=O)C1 65526523 FAMUEZLOJNTUFY-GFCCVEGCSA-N 357.859 2.646 0 50 FFAA CCn1nnc2cc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)ccc21 249694919 PVIFMMYUBJPUBJ-DSJMHWKBSA-N 372.469 2.937 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCN(Cc2cccc(F)c2)CC1 63883295 SHKDEBNPSLXUMF-UHFFFAOYSA-N 356.397 2.555 0 50 FFAA CCN(CC)c1ncccc1CNC(=O)c1cc(=O)[nH]c2ccccc12 67974687 LMJOXCIYTQICQZ-UHFFFAOYSA-N 350.422 2.699 0 50 FFAA Cn1cc(C2=CCN(CCC(=O)NCc3ccc(Cl)cc3)CC2)cn1 65432369 NMIOKSJSLWUKMZ-UHFFFAOYSA-N 358.873 2.869 0 50 FFAA O=C(CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F)NC1CCCC1 280270811 CYTDTKSYWIHNMV-CJNGLKHVSA-N 356.388 2.872 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)c1cc(CN2CCC(O)CC2)on1 67955125 RBLQDFDIOFOWOI-UHFFFAOYSA-N 363.845 2.557 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1OC 38149421 HJJCFGBSDQKIJD-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA CCOc1cccc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC)c1 668839 FVXPYAJWSKHJMP-UHFFFAOYSA-N 362.407 2.593 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 77407726 NFOIUYJQDNQNIL-UHFFFAOYSA-N 363.417 2.687 0 50 FFAA Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)nn12 32101274 IVBHHFRBFJLZGF-CYBMUJFWSA-N 370.844 2.941 0 50 FFAA CN(C)Cc1nc(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cs1 77342389 NNXHBYJTYMPNRV-MRXNPFEDSA-N 371.506 2.869 0 50 FFAA COC(=O)CCn1cc(CN2CCC(C(C)=O)(c3ccccc3)CC2)cn1 72127088 ATEADIFMCZWKIQ-UHFFFAOYSA-N 369.465 2.569 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](O)c2cccc(OC)c2)cc1 152654265 RGCHGPTXOQIQOW-SFHVURJKSA-N 367.405 2.557 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCC(N2CCC(O)CC2)CC1)c1ccccc1F 72135384 MWBHQVPTACFELF-QFIPXVFZSA-N 374.500 2.941 0 50 FFAA Cc1nnc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)s1 330216678 HYKCTJLSCZLGOC-GFCCVEGCSA-N 366.512 2.579 0 50 FFAA COCc1noc(CCNc2cc(-c3ccccc3)nc3ccnn23)n1 72145101 JBMQPGKHDHYCMT-UHFFFAOYSA-N 350.382 2.580 0 50 FFAA COc1ccccc1N1CCN(Cc2ccccc2OCC(=O)O)[C@@H](C)C1 72157366 WHKCIUQOKRHEIW-INIZCTEOSA-N 370.449 2.869 0 50 FFAA COCc1cc(C(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)no1 262246688 LGQRXJUHCOCMJQ-INIZCTEOSA-N 361.467 2.667 0 50 FFAA Cc1cnccc1NCCn1ccnc1-c1ccc(S(C)(=O)=O)cc1 72166390 PDXCMYSJUUFWNP-UHFFFAOYSA-N 356.451 2.769 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2nc(C)nc3c2CCCC3)C1 374756378 ZJOHXSVAEJEMIQ-CQSZACIVSA-N 354.458 2.729 0 50 FFAA CC(C)c1cc(N2CCC(N3CCCS3(=O)=O)CC2)nc(C(C)C)n1 334116317 HKKQUKYOLRRSNY-UHFFFAOYSA-N 366.531 2.728 0 50 FFAA O=C(C1CCCC1)N1CCc2ncnc(NCc3cccnc3)c2CC1 72480183 GRHSGELUTMLBOY-UHFFFAOYSA-N 351.454 2.601 0 50 FFAA Cc1cccc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)n1 72473019 GSHJQHOEOUAJPJ-UHFFFAOYSA-N 356.378 2.621 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](c2ccccc2)CO1 173730418 GHNLCVXSFPZGST-SUMDDJOVSA-N 368.433 2.617 0 50 FFAA CCN1C[C@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1=O 82098964 DBBIGIQDFVMJMG-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA COc1cccc(CC(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@H]2C)c1 222524653 MIUCZJYQRMSDFG-QGZVFWFLSA-N 366.461 2.806 0 50 FFAA O=C(NCCCc1ccc(F)cc1)N1CCC(N2CCSCC2)CC1 426444952 NUKOCTQVWFVHHR-UHFFFAOYSA-N 365.518 2.981 0 50 FFAA C[S@@](=O)Cc1ccccc1NC(=O)N1CCC2(C1)Oc1ccccc1O2 288849921 OGPFWJYIIFLKEJ-AREMUKBSSA-N 372.446 2.970 0 50 FFAA COCc1nn2c(nnc3c(=O)n(C4CC4)ccc32)c1-c1ccc(F)cc1 40392152 STGQAOIOQPLJBY-UHFFFAOYSA-N 365.368 2.727 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cn1ccc([C@H]2CCCNC2)n1 426556061 VXIRTDYSZOVZFN-AWEZNQCLSA-N 369.444 2.629 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCCc3ncnn3C)c2)nc(C(C)C)n1 426388367 FTMZHBWDKKKTRZ-UHFFFAOYSA-N 364.453 2.676 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@]2(CCOC2)C1 95359538 WQIWSBLCAMKQRR-MRXNPFEDSA-N 368.480 2.903 0 50 FFAA CCC[C@H](C)c1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)[nH]n1 162675293 RRYSMEXVEYNIGE-JTQLQIEISA-N 362.459 2.704 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1Cc2nc(C)n(C)c(=O)c2C1 91756792 UVJAXSPVZUIYRB-UHFFFAOYSA-N 364.449 2.580 0 50 FFAA C[C@H](NC(=O)c1ncc(F)cc1F)c1ccc(N2CCCNC2=O)cc1 292170717 UWJOAZRJJUYLGX-NSHDSACASA-N 360.364 2.771 0 50 FFAA Cc1ccc([C@H]2CN(c3ccc(C(=O)N4CCCCC4)cn3)C[C@@H]2N)o1 95388375 WZACJAUTXPTZEK-IRXDYDNUSA-N 354.454 2.540 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCCc1nc3ccccc3[nH]1)C2 91474826 IRJKPLIDVISQOM-HNNXBMFYSA-N 365.433 2.872 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCCCCc1ccccn1)CC(=O)N2 91931967 VJJWNMQKEFZBKK-KRWDZBQOSA-N 353.422 2.655 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 91781751 GQXZHJUUQCQFJG-KRWDZBQOSA-N 362.437 2.778 0 50 FFAA Cc1ccsc1CN1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)O)C1 96162581 HDNQPFZPBJCBDJ-KXBFYZLASA-N 362.495 2.592 0 50 FFAA CC1(C)CCC[C@@H](C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1 179416413 FVLUXDZLCMEFNV-MRXNPFEDSA-N 369.469 2.749 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)c1nc(C2CC2)no1 95383879 ZMMQHOHQXKGCFT-GFCCVEGCSA-N 360.458 2.553 0 50 FFAA CCCNc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)cn1 91585637 CFKUKJZRRJABBK-DLBZAZTESA-N 358.417 2.738 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cn4ccccc4n2)C3)cc1 96180753 QWXSBPCXYRJQMM-UHFFFAOYSA-N 373.416 2.932 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 95511824 UFNXMOHJAHVSLO-UHFFFAOYSA-N 357.458 2.821 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)CCN2CCCCC2=O)c1 97654102 DPMAHXHCLCGBSD-LJQANCHMSA-N 358.482 2.905 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)C1 91664350 PAIBDTMKZPGYTD-QGZVFWFLSA-N 370.493 2.904 0 50 FFAA Cc1scc(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c1C 179853199 KAGNVGXGGSPVCS-UHFFFAOYSA-N 368.462 2.839 0 50 FFAA CC(C)n1ccnc1[C@@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 95353472 NUPLURCVRBEUKL-OAHLLOKOSA-N 374.464 2.614 0 50 FFAA Cc1cc(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)c2c(C)nn(C)c2n1 244678562 IFVLTBRYEFZHIO-AHIWAGSCSA-N 370.478 2.889 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)CSCCN1CCCC1 244626526 FNJJFVXPDOBFNI-UHFFFAOYSA-N 360.483 2.524 0 50 FFAA O=C(NCc1ccccc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263615102 AOJBYYYTQLFWTN-QGZVFWFLSA-N 352.369 2.619 0 50 FFAA CC(C)N1CCC(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 469249644 VWGMSZLVWOAQHY-OAHLLOKOSA-N 363.889 2.682 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)n1 299792695 GSADFAMXAIOMKW-MRXNPFEDSA-N 371.437 2.951 0 50 FFAA Cn1nnc2cc(NC(=O)N3CCC(OCc4ccccn4)CC3)ccc21 299773405 AHLRICQVCBNADM-UHFFFAOYSA-N 366.425 2.576 0 50 FFAA O=C(CN1CCOc2ccccc2C1)NCc1ccc2c(c1)CCCO2 299791444 GAYMASFVWZDLSK-UHFFFAOYSA-N 352.434 2.522 0 50 FFAA CCOC(=O)C(=O)N[C@@H](SCc1ccccc1)C(=O)c1ccccc1 823205448 SIIREBCLNUBTPI-SFHVURJKSA-N 357.431 2.808 0 50 FFAA C[C@H]1Cc2cc(CNC(=O)N3CCOc4ccc(CO)cc4C3)ccc2O1 584889333 CLZMDBDUUNHBLJ-AWEZNQCLSA-N 368.433 2.607 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)N[C@@H]2CCCN(C3CCCC3)C2)no1 670452370 FJSPZYJVKOSRMK-OAHLLOKOSA-N 363.506 2.784 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)c2cnc(-c3ccncc3)nc2)cc1 952980957 SUJTYAGACPXUDM-UHFFFAOYSA-N 361.405 2.929 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H]1CCN(c3ccccc3F)C1=O)CO2 185835850 IHSOXFXYQNWKSZ-RDJZCZTQSA-N 368.408 2.840 0 50 FFAA Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H]2CCCSC2)c1 170652125 XZCNCYGEIKHPOZ-CQSZACIVSA-N 362.524 2.944 0 50 FFAA O=C(C[C@@H]1CCCOC1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 193107476 PYTDLAJSVSCDSK-ZDUSSCGKSA-N 363.845 2.951 0 50 FFAA O=C(O)C[C@H](NC(=O)Cc1ccc2c(c1)CCO2)c1ccc(F)cc1F 776657828 QRQCQIMKBGVUPF-INIZCTEOSA-N 361.344 2.774 0 50 FFAA Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 1061475 RYTIJJCFPOUMGP-UHFFFAOYSA-N 373.478 2.975 0 50 FFAA Cc1cccnc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1704340187 WWWXMPNFBDYBSR-RBUKOAKNSA-N 363.461 2.868 0 50 FFAA CN1CC[C@@](C)(C(=O)N2CCCN(c3ccc4ccccc4n3)CC2)C1 1772814301 RNFDMDSOFBHBMS-OAQYLSRUSA-N 352.482 2.615 0 50 FFAA O=C(CSC1=N[C@@H](c2ccccc2)CC(=O)N1)NCCc1ccccc1 5736581 JCBKAYPSAAKGGI-QGZVFWFLSA-N 367.474 2.696 0 50 FFAA C[C@H](COc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1 11754182 IWOGEJLMFOSIAG-GOSISDBHSA-N 361.530 2.624 0 50 FFAA Cc1cc2nc(CN(C)C(=O)[C@H]3CCC(=O)N(C4CC4)C3)[nH]c2cc1C 12053504 XWDBTJPJLZLROC-AWEZNQCLSA-N 354.454 2.539 0 50 FFAA COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 12716486 BBIQGAWOQSMIHY-SFHVURJKSA-N 374.462 2.725 0 50 FFAA COc1ccc(CC[C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc1 12759790 IQQYARDKRWAOLS-SFHVURJKSA-N 358.482 2.879 0 50 FFAA CCCNC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1 15066807 CIYVWDCMAAKTQE-UHFFFAOYSA-N 367.497 2.926 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C2CCOCC2)cc1 15072747 UFQGQIPAKHUEFT-LJQANCHMSA-N 354.454 2.763 0 50 FFAA COc1cccc(CN2CCC[C@H](NCc3cnc(N(C)C)s3)C2)c1 19224115 FUXFEPAHGNHHGA-INIZCTEOSA-N 360.527 2.972 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3cc(F)ccc23)C1 19770918 JPGURYKNFPWTJA-HNNXBMFYSA-N 367.428 2.551 0 50 FFAA Cc1ccc(C)c(C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)c1 169776240 OKUVRMRVYPQWIH-UHFFFAOYSA-N 362.393 2.635 0 50 FFAA COC(=O)C[C@@H](c1ccc(SC)cc1)c1c(O)n2ccccc2nc1=O 205970310 FMRCEKRNMWPNJV-AWEZNQCLSA-N 370.430 2.817 0 50 FFAA CC(C)(C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 2959154 APHBIQBQQCWOQW-UHFFFAOYSA-N 364.442 2.936 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@H](C)O1 6338464 HXIXTXBTHPRSDZ-GJZGRUSLSA-N 374.462 2.737 0 50 FFAA O=C1OC[C@]2(Cc3ccccc3)CN(Cc3ccc4c(c3)CCO4)CCN12 1857672785 HEPNXWCADFFXII-QFIPXVFZSA-N 364.445 2.871 0 50 FFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CCC2CCC2)cn1 1857710333 RHNFQMBWNIDRPI-FPOVZHCZSA-N 374.529 2.755 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3)C1CCCCC1 1857738658 RPCHJQPUMCOSPD-QEUVDIPISA-N 358.482 2.956 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)nc2ccccn12 1857739731 QGMWTSVFDINDEJ-HNNXBMFYSA-N 360.421 2.705 0 50 FFAA c1ccc([C@H]2OCC[C@@H]2CNCc2cnc(N3CCOCC3)s2)cc1 328633382 SORYWMVGSPSXRO-SJLPKXTDSA-N 359.495 2.847 0 50 FFAA C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@](C)(C(=O)O)C1 237498369 QEQGPSIJJJPDES-MEBBXXQBSA-N 356.216 2.540 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccn2)C3)c(O)c1 247849635 ODTMWCCVDOMLPU-RDJZCZTQSA-N 367.449 2.532 0 50 FFAA Cn1c(CN[C@@H]2CCCc3c2cnn3CCO)nc2cc(Cl)ccc21 363504216 FYXNRUFDVINANJ-CQSZACIVSA-N 359.861 2.583 0 50 FFAA O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCn2c(nnc2C2CC2)C1 1875259981 DYJMEXPZDJXQSR-CYBMUJFWSA-N 358.829 2.717 0 50 FFAA Cc1ccc(N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 1875260715 SOFRIVFOFGPUCG-QGZVFWFLSA-N 360.502 2.912 0 50 FFAA C=CC(=O)NC1(CNC(=O)C[C@H]2Cc3ccccc3O2)CCCCCC1 1875385826 CGONZZUWBVEHHW-QGZVFWFLSA-N 356.466 2.892 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 398014324 VKVSKRGVSODFOX-KBXCAEBGSA-N 368.437 2.817 0 50 FFAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)ccc1O 715113 UXMPTDXXFKSNDM-CYBMUJFWSA-N 374.315 2.524 0 50 FFAA biogenic,in-vitro NCC1(c2nocc2C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 2325774725 NFTQVXUUDDEZPN-UHFFFAOYSA-N 362.842 2.858 0 50 FFAA CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3ccc(C)o3)C2)cs1 2325850602 CMISCOFILMSKFA-YGRLFVJLSA-N 360.435 2.743 0 50 FFAA CCC(=O)N(C)CCN1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 2325868350 XEIDNDQZERYVSK-UHFFFAOYSA-N 357.498 2.580 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)C2)n1 222113723 GSODPLJOAKBSBJ-RIWOBZSASA-N 359.470 2.805 0 50 FFAA O=C(N[C@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 9330880 ALLWOAVDORUJLA-MRXNPFEDSA-N 370.792 2.607 0 50 FFAA biogenic,world CC(C)Cc1nc(-c2cccc(=O)[nH]2)n(-c2ccc3c(c2)OCCO3)n1 67539788 VLLSTRBXRBDSDD-UHFFFAOYSA-N 352.394 2.592 0 50 FFAA COc1ccccc1N1CC[C@H](N(C)Cc2ccc([S@@](C)=O)cc2)C1=O 247532059 ZZFJWLKHTDWXFK-HFJWLAOPSA-N 372.490 2.670 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC2(CCNC(=O)CC2)CC1 67982949 XBQHBCGPYCCYRX-UHFFFAOYSA-N 350.846 2.871 0 50 FFAA O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)NCc1ccncc1 61718480 YABWFICWPSSTAS-UHFFFAOYSA-N 370.412 2.775 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)s1 67714802 VZQNBOGPUCIGIT-UHFFFAOYSA-N 368.462 2.950 0 50 FFAA CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CC(=O)CCCCC(=O)O 27640555 KBHLXKOKUVJZIS-NCXUSEDFSA-N 370.486 2.878 0 50 FFAA in-vitro O=C1OCCN1CCNC1CCN(c2cccc(-c3ccco3)c2)CC1 23214208 VQKFRVALHHXVAT-UHFFFAOYSA-N 355.438 2.957 0 50 FFAA CC[C@@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67983298 ZAGJCFGBUIMCGN-LLVKDONJSA-N 361.423 2.672 0 50 FFAA CCc1nnc(CN(C(=O)[C@@H]2COc3c(cccc3OC)C2)C(C)C)o1 65509335 RQMTTWRKKIYWRQ-AWEZNQCLSA-N 359.426 2.629 0 50 FFAA CN(Cc1ccccc1Cl)C[C@@]1(O)CCCN(CC2CCC2)C1=O 12076396 ODGCQWMSZBQSPA-IBGZPJMESA-N 350.890 2.925 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(Cl)c(F)c3)C2)CC1 67771237 SRDDOMYAYNTHIR-AWEZNQCLSA-N 353.869 2.768 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 238118411 LZKOXYFXJHTNLP-LJQANCHMSA-N 352.434 2.913 0 50 FFAA Nc1nc(O)c(CCC[C@H](C(=O)O)c2cccc3ccccc23)c(O)n1 39438678 OAAWMZINEDCHGN-AWEZNQCLSA-N 353.378 2.814 0 50 FFAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1 1400904 XVGPPKWYWWYMSD-UHFFFAOYSA-N 362.426 2.643 0 50 FFAA COc1cccc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)c1 39380361 NFOCYDIGYVNFEK-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cc2c([nH]c1=O)CCCC2 77520274 FKJXHIBSJZMFLE-INIZCTEOSA-N 365.477 2.852 0 50 FFAA c1cc2nsnc2cc1CNc1nc(C2CC2)nc2c1CCNCC2 72423218 LDBHBDUJFKBWNP-UHFFFAOYSA-N 352.467 2.659 0 50 FFAA Cc1ncsc1CCNc1nc(-c2ccncc2)nc2c1cnn2C 72140415 PZHBQCYPSCQPBA-UHFFFAOYSA-N 351.439 2.845 0 50 FFAA CN(C(=O)c1cc2c(cc1F)NC(=O)CC2)[C@H]1CCO[C@@H]1c1cccnc1 329024257 JBPKJYQCLGOOEH-PKOBYXMFSA-N 369.396 2.708 0 50 FFAA NC(=O)c1cc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccn1 484439498 AWOIYWZGQRQKMO-NHYWBVRUSA-N 351.328 2.512 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(-n2cnnc2)c1 215712865 YRTSYYHBNNRTFL-UHFFFAOYSA-N 354.414 2.511 0 50 FFAA CCOc1cncc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)n1 486563746 JJKUHYZQYGUCHW-GFCCVEGCSA-N 357.332 2.746 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccc3ccccc3c2)C1)[C@@H]1CCCN1 261906836 SKCIUTLWWRWLOC-NQIIRXRSSA-N 351.494 2.920 0 50 FFAA O=C(NS(=O)(=O)CCCC(F)(F)F)[C@@H]1CSc2ccccc21 157044513 IVUAZHDATXXFAG-SNVBAGLBSA-N 353.387 2.664 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 130241649 KAYXOUPZBXPYEA-UGQVUOCMSA-N 354.431 2.949 0 50 FFAA COc1cccc([C@@H]2CN(Cc3snnc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72144185 DNSPAHQIEIDKAV-DFQSSKMNSA-N 370.522 2.917 0 50 FFAA CCCN1CCC(NS(=O)(=O)c2cc(C(=O)O)ccc2C(C)C)CC1 236779903 NMGUQUDWUHKREK-UHFFFAOYSA-N 368.499 2.661 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@@H]34)cn21 333171175 NSWZJJNEPYJYQC-BMHLXIAXSA-N 357.479 2.645 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CC[C@H](N)C[C@H]1C 237484811 RHMWNDXDNJBSNM-KJRVYASESA-N 356.445 2.980 0 50 FFAA Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)Cc3ncc[nH]3)cc2c1 72427846 JLHMIBSTPIBAHJ-GOSISDBHSA-N 365.481 2.859 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1 221320659 JJLVKIWKNHXRRF-FQEVSTJZSA-N 368.481 2.809 0 50 FFAA COc1ccccc1O[C@H]1CCCN(c2cncc(-n3cccn3)n2)C1 286706046 ZYKCEXSCHARQKI-HNNXBMFYSA-N 351.410 2.719 0 50 FFAA O=C1C[C@H](CNC(=O)N(Cc2cccnc2)C2CCCCC2)CN1C1CC1 426627848 UJQRRBBKVRWGDS-QGZVFWFLSA-N 370.497 2.937 0 50 FFAA CSc1cccc(CN(C)C(=O)Cn2nccc2[C@@H]2CCCNC2)c1 426550638 OJSAPLDAVKTDIU-MRXNPFEDSA-N 358.511 2.731 0 50 FFAA CCOc1cc(C(=O)NCC2(OC)CCCCC2)ccc1OCC(=O)O 263572610 LDJLFPHOCQDANF-UHFFFAOYSA-N 365.426 2.628 0 50 FFAA O=C(Cc1ccncc1)N1CCC(Oc2ccc(Cl)cc2)(C(=O)O)CC1 199454717 ZVLPRUZJZPZNSS-UHFFFAOYSA-N 374.824 2.802 0 50 FFAA Cc1cc(C)n(CCCC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)n1 82156083 JYXRTSWXDJLHKM-FQEVSTJZSA-N 354.498 2.795 0 50 FFAA CCn1ccnc1C1CCN(C(=O)CCNC(=O)c2ccc(C)cc2)CC1 91876604 KVSZJMJKISNKMY-UHFFFAOYSA-N 368.481 2.738 0 50 FFAA c1cnn(Cc2ccc(CN3CCCO[C@@H](CN4CCCC4)C3)cc2)c1 97528889 FATZZTLCZPXCRF-NRFANRHFSA-N 354.498 2.618 0 50 FFAA COC(=O)c1ccccc1-c1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1 426691174 KIFSQBSLAQCBLC-UHFFFAOYSA-N 366.417 2.668 0 50 FFAA CN(C)[C@H]1CCN(Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1 96131151 FBMMAFWWFCKQFC-SFHVURJKSA-N 365.481 2.917 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@H](c2nccn2C)C2CC2)c1 91907517 WKWVELHMQUFBNI-KRWDZBQOSA-N 351.410 2.700 0 50 FFAA OC[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2cccc(Cl)c2Cl)C1 91694650 IHBOOXOBJHOSAL-HUUCEWRRSA-N 373.324 2.756 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)C1 91757201 IUJPSUFCCHVHOF-CYBMUJFWSA-N 368.412 2.903 0 50 FFAA Cn1cc(CCC(=O)N2CCC(c3nccn3CC3CCC3)CC2)cn1 95503974 PTSDFNUWBGVMSD-UHFFFAOYSA-N 355.486 2.756 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc3ncsc3c1)CC2 92038435 GBSCBGFWDJTAQQ-UHFFFAOYSA-N 367.478 2.639 0 50 FFAA Cn1ccc(NC(=O)CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)n1 244773806 PGYBAJNGKSGGNO-HNNXBMFYSA-N 356.405 2.601 0 50 FFAA COC1CCN(C(=O)NCc2nc(-c3ccccc3Cl)no2)CC1 534578142 BMDGKUKIYAFDSP-UHFFFAOYSA-N 350.806 2.710 0 50 FFAA C[C@@H](NC(=O)N1CC(N2CCCCC2)C1)c1cnn(-c2ccc(F)cc2)c1 534587385 JPLJNKZYTDXIBV-OAHLLOKOSA-N 371.460 2.952 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 299788721 ZTAHCNZWGVTCNS-SFHVURJKSA-N 362.445 2.705 0 50 FFAA Cc1ccccc1[C@]1(CC(=O)N2CCNC(=O)CC2)CCOC(C)(C)C1 299779587 SFUISCUEZDVJCZ-NRFANRHFSA-N 358.482 2.560 0 50 FFAA O=C1CCN(C(=O)c2ccccc2Cl)CCN1CCN1CCCCC1 299772239 SWFUJQNYZNGMLQ-UHFFFAOYSA-N 363.889 2.500 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2Cn2ccnc2C)c(OC)n1 824640925 WTNCEMMKOLTGBM-UHFFFAOYSA-N 352.394 2.904 0 50 FFAA CC[C@H](NC(=O)c1ccc2c(c1)N(C)C(=O)CO2)c1nc(C)c(C)s1 822668771 DQILYQRTCMEVMP-ZDUSSCGKSA-N 359.451 2.996 0 50 FFAA COc1nc(-c2cccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)c2)ncc1F 584902459 UWMLBNVSVYEOBW-JKSUJKDBSA-N 370.428 2.600 0 50 FFAA COCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 163349652 BSCIWQKILJJEOW-AWEZNQCLSA-N 361.463 2.743 0 50 FFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)[C@H](N)Cc2ccccc2)c1 952991410 OYEBIPYTSNRAHS-MRXNPFEDSA-N 355.438 2.798 0 50 FFAA Cn1ncc(C(=O)NC[C@](C)(O)c2cccc(F)c2)c1Cc1ccccc1 1455954297 JHSDPHVNKFOEPY-NRFANRHFSA-N 367.424 2.788 0 50 FFAA Nc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)cn1 1565527138 YRKSYIIHDAWUMF-QAPCUYQASA-N 354.429 2.540 0 50 FFAA C[C@H](NC(=O)NCCCN(C)c1ccccc1)[C@H](O)c1ccc(O)cc1 1565513848 ADQSDIWINKULFN-KXBFYZLASA-N 357.454 2.640 0 50 FFAA Cc1cc(N2CCC[C@H](N3CCCC3)C2)n2nc(C(F)(F)F)nc2n1 301089353 KLCPFHHAJBOUKZ-LBPRGKRZSA-N 354.380 2.516 0 50 FFAA O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@@H](c2cccc(F)c2)C1 170779882 RWVLDHAPLOPYBT-GDBMZVCRSA-N 374.378 3.000 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3n[nH]c4c3CCCC4)C2)c1 188413007 BBHDNCCJQQRZFB-AWEZNQCLSA-N 369.465 2.864 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3cncc4ccccc34)CC2)c(C)o1 193993997 WFVJXWDJNVXGGJ-UHFFFAOYSA-N 371.462 2.956 0 50 FFAA C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)n2)CC2(CCOCC2)O1 790521199 BEQVJMVVZUWDRN-LLVKDONJSA-N 359.348 2.902 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3c[nH]nc3-c3ccc(OC)cc3)CCN12 1529196905 JHCAFPDWYUTGKT-RBUKOAKNSA-N 370.497 2.770 0 50 FFAA O=C(c1cscn1)N1CCCN(Cc2ccc(-n3ccnc3)cc2)CC1 1529172805 IGRMABNKRQBTAA-UHFFFAOYSA-N 367.478 2.677 0 50 FFAA COc1ccc2cc([C@H](C(=O)O)N3CCC4(CC3)CNC(=O)O4)ccc2c1 1529104213 MGNAEEDUDWDSAL-QGZVFWFLSA-N 370.405 2.549 0 50 FFAA COc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)c2ccccc12 1704314393 YRRLWLULPLSDKV-HEFCMCLBSA-N 357.450 2.983 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCOCC2)cc1 824980 YFZIPOZCZJPXTI-GHRIWEEISA-N 356.447 2.686 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 4113656 SPNGIBWWEISQTN-HNNXBMFYSA-N 352.818 2.936 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 11662227 WJROPYLYJCGDAO-HXUWFJFHSA-N 354.498 2.713 0 50 FFAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CCO)CC1 12709835 DKCUZNUZTWIMDZ-UHFFFAOYSA-N 359.388 2.886 0 50 FFAA Cc1nnc(CNC(=O)C[C@H](c2ccccc2)c2ccc3c(c2)OCO3)[nH]1 12758089 NUEBPLSEOHQNGC-MRXNPFEDSA-N 364.405 2.680 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C2CCOCC2)no1 15063073 WYIJPGODCMUSAC-UHFFFAOYSA-N 354.410 2.632 0 50 FFAA CSc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19574058 CZIKHQBTSBEFBB-UHFFFAOYSA-N 362.520 2.915 0 50 FFAA S=c1oc(-c2ccc(Br)cc2)nn1CN1CCOCC1 19617932 CXOROOHWSZOTDM-UHFFFAOYSA-N 356.245 2.925 0 50 FFAA O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C[C@H]2CCOC2)CC1 19800233 GFTDFOLBRAVWDY-OAHLLOKOSA-N 354.454 2.764 0 50 FFAA CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccccc1 6682055 BKIHBSGNNZXTRU-UHFFFAOYSA-N 370.540 2.635 0 50 FFAA O=C(O)c1ccccc1CN1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857678975 OMZRWLRQRJSXFI-OAQYLSRUSA-N 366.417 2.634 0 50 FFAA C[C@@H](c1ccc(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc1)N(C)C 1857682467 KXXWXLRXBQGNPX-HNNXBMFYSA-N 366.469 2.624 0 50 FFAA Cc1noc(C)c1CNC(=O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857715623 AHWFHBODZLXBKT-AWEZNQCLSA-N 369.425 2.751 0 50 FFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 253422862 DJFOWDRYHCZTSD-IBGZPJMESA-N 357.498 2.803 0 50 FFAA COc1ccc(-c2ccc(NC(=O)c3ccc(=O)n(C)n3)nc2)cc1Cl 373498897 SVGKQDXFKVVENQ-UHFFFAOYSA-N 370.796 2.757 0 50 FFAA O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](n2cncn2)C1 265011567 AUQQFNKKBODISE-GFCCVEGCSA-N 361.254 2.611 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)c1ncc2cc(Br)ccc2n1 1875357712 TZTAMGDDSQWMQB-UHFFFAOYSA-N 360.215 2.995 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2cnn(-c3cccc(Cl)c3)c2)C1 1875301201 DJEHDZNWMBQZDR-HNNXBMFYSA-N 372.856 2.567 0 50 FFAA CCN(CC(=O)N1CCC[C@@]12CCC[S@](=O)(=NC)C2)c1ccccc1 1875395592 GFCRQVWQTRVNHD-UQBPGWFLSA-N 363.527 2.766 0 50 FFAA c1ccc2c(c1)CC1(CO2)CN(Cc2cnc(NC[C@H]3CCCO3)nc2)C1 2100483437 UMKZZAYFKPPSDT-GOSISDBHSA-N 366.465 2.505 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CC(O)(c3cccc4ccccc34)C2)c2nccn21 847380997 ABFYCJRRYZOKDR-RDTXWAMCSA-N 362.433 2.955 0 50 FFAA Cc1nc2c([nH]1)[C@H](C(=O)NCc1ccn(-c3c(F)cccc3F)n1)CCC2 2325806268 ADEAEPOCXFYRNG-CYBMUJFWSA-N 371.391 2.918 0 50 FFAA Cc1ccc(-n2nc([C@@H]3CCOC3)nc2CC2CC(n3cnnc3)C2)cc1 2325849109 GVDZJRHRCSAMQY-UPTPFMHGSA-N 364.453 2.865 0 50 FFAA CCC[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325868971 SNSNNXSDYFOVTJ-KGLIPLIRSA-N 358.442 2.797 0 50 FFAA CCN(C(=O)[C@@H]1C[C@H]1C)[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325875904 FKVZTPMKGSBTIQ-FHLIZLRMSA-N 351.450 2.954 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 2325888912 LLEWFPKMRDMTJG-UHFFFAOYSA-N 364.327 2.752 0 50 FFAA COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 754341 TWSTVZBEFBQGQE-AEFFLSMTSA-N 352.390 2.873 0 50 FFAA biogenic COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)cc2)c1 1217969 VUTNTYHCTSUMST-KRWDZBQOSA-N 369.446 2.832 0 50 FFAA COc1ccccc1COc1ccccc1-c1nc(N2CCOCC2)n[nH]1 2356137756 YEEYDRCBVQQJIS-UHFFFAOYSA-N 366.421 2.896 0 50 FFAA Cc1noc(C)c1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356165968 RRNYAOGOVQEEGV-ZWOKBUDYSA-N 361.486 2.552 0 50 FFAA CCc1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1 9742933 IQRNSPWNCIPOSP-UHFFFAOYSA-N 364.453 2.858 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cccc3c2OCC3)c1C 55269641 LORUUXMFLHQAEI-UHFFFAOYSA-N 357.454 2.744 0 50 FFAA O=C(NCCCn1ccc2ccccc21)[C@@H]1CC(=O)N(C2CCCC2)C1 53657360 ZQHQSKBKTLFAGK-QGZVFWFLSA-N 353.466 2.939 0 50 FFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)CCc1nc(-c2ccco2)no1 55359732 BXTGJADPOSRFKK-ZDUSSCGKSA-N 359.382 2.655 0 50 FFAA O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 27640301 DXWJXQSQVUJRNS-YYWARMNLSA-N 372.461 2.914 0 50 FFAA in-vitro COc1cc(-c2ccc(C)s2)cc2c1OCCN(CCNC(N)=O)C2 67886568 AICKBOHYPLZIAQ-UHFFFAOYSA-N 361.467 2.595 0 50 FFAA COc1ccc(OC)c(CN2CCc3[nH]cnc3[C@H]2c2cnn(C)c2C)c1 67757636 KSTKRDFUOCKHAK-HXUWFJFHSA-N 367.453 2.617 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(C)Cc3csc(C)n3)n2)cc1 20450104 OKFPFETWJOIFRS-UHFFFAOYSA-N 358.423 2.920 0 50 FFAA O=C(c1ccccc1Br)N1N=C(C(F)F)C[C@@]1(O)C(F)F 651272 OEWWEBSFINVOGS-GFCCVEGCSA-N 369.112 2.870 0 50 FFAA COc1cccc(CN(C)Cc2ccc3nonc3c2)c1O[C@@H](C)C(=O)O 215196718 DFJHYMBYHIQWKF-LBPRGKRZSA-N 371.393 2.715 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)[C@H]3C)c(C)o2)c(C)c1C 71760431 HKERTVDQTNXIFV-CQSZACIVSA-N 357.454 2.938 0 50 FFAA C[C@@]1(CO)CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 215485142 PELXDEVYWOZLNW-OAQYLSRUSA-N 360.498 2.672 0 50 FFAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1(C)C 436994399 MPQKXNBTQVRALE-MLGOLLRUSA-N 362.253 2.995 0 50 FFAA CN(CCc1cnn(C)c1)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 215319867 AKESBUJFHCXDBN-IBGZPJMESA-N 358.461 2.787 0 50 FFAA COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)on1 153920747 VMTLNXJYOMVNKX-GJZGRUSLSA-N 369.421 2.591 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 72458065 GNMZMCYYYXRUKH-AWEZNQCLSA-N 359.470 2.773 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 72468877 VDYIWKAKPFMJAG-MRXNPFEDSA-N 358.463 2.662 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)c2cnc3cccc(C)n3c2=O)c1 77519065 AIJIEERQEMFVOO-GOSISDBHSA-N 363.417 2.989 0 50 FFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc2nsnc2c1 13324530 LDRCJNAEWDNLNP-UHFFFAOYSA-N 371.441 2.591 0 50 FFAA O=C(N[C@@H]1CCCc2occc21)c1ccc(=O)n(-c2ccc(F)cc2)n1 127725077 IBDKYFLDPABZCN-OAHLLOKOSA-N 353.353 2.772 0 50 FFAA COCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392347 UYYIQSQAFIXOIK-UHFFFAOYSA-N 369.812 2.796 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F 237993330 ZTVLMXCEHBAUBZ-CYBMUJFWSA-N 362.401 2.812 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(c3cccnc3)CC2)c1 72412199 AYJVLFYYUTZRSB-UHFFFAOYSA-N 353.466 2.748 0 50 FFAA OCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72478121 MHKQEZXWEBKLQE-UHFFFAOYSA-N 360.889 2.984 0 50 FFAA O=S(=O)(c1ccc(-c2ccccn2)s1)N1CC(c2ccncc2)C1 72140047 PAXHMQROGNBENM-UHFFFAOYSA-N 357.460 2.993 0 50 FFAA O=C(CC1CCCCCC1)N1CCC(Cn2cc(CCCO)nn2)CC1 48194437 LZJJCTTYSSHYKY-UHFFFAOYSA-N 362.518 2.802 0 50 FFAA CO[C@H]1[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2C12CCNCC2 72477903 WWBJZNLPQFLPQM-MOPGFXCFSA-N 352.434 2.513 0 50 FFAA CNC(=O)c1cccc(CNc2nc(C3CCCC3)nc3c2cnn3C)c1 72470021 BELPTFZUKMYCRK-UHFFFAOYSA-N 364.453 2.993 0 50 FFAA COc1cc(F)ccc1N1CCN(C(=O)Nc2cnn(CC3CC3)c2)CC1 174473371 ZEGBHDIYKJZVMU-UHFFFAOYSA-N 373.432 2.795 0 50 FFAA CCCNC(=O)c1ccc(NC(=O)NCCn2cc(Cl)cn2)c(C)c1 426369974 QUNVVGKGZFACQT-UHFFFAOYSA-N 363.849 2.806 0 50 FFAA Cc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1OCCN 426634297 OVMSSMQAPAHMGY-UHFFFAOYSA-N 353.466 2.822 0 50 FFAA CC(C)(C)c1cn(C[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 48501653 VLUOQKSSZABVKM-AWEZNQCLSA-N 370.453 2.857 0 50 FFAA Cc1nc2c(NC(=O)NCCCSc3nnc(C)s3)cccn2n1 426589692 BFLJUDXIIWQEMV-UHFFFAOYSA-N 363.472 2.502 0 50 FFAA COc1cccc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c1OC 95520375 OQBLCQALNSJSDS-IIBYNOLFSA-N 369.417 2.767 0 50 FFAA Cc1nc(CCNC(=O)c2cc(-c3ccccc3)on2)sc1C(=O)O 95359647 ZPPGCNYMJWTZPC-UHFFFAOYSA-N 357.391 2.777 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 426501896 QOUQABNQMCZTNU-MRXNPFEDSA-N 365.495 2.539 0 50 FFAA O=C([C@@H](c1cccnc1)N1CCOCC1)N(Cc1ccsc1)C1CC1 95386123 HCBRZAKWCYZWHQ-GOSISDBHSA-N 357.479 2.708 0 50 FFAA CC1(C)CN(Cc2cccc(Cl)c2)CC[C@@]1(O)CN1CCOCC1 91872853 VPRKQUFXDUNYCF-LJQANCHMSA-N 352.906 2.635 0 50 FFAA Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1 96203875 ZQNOGHQHFRLBCE-UHFFFAOYSA-N 372.494 2.664 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)N[C@H]2COC3(CCCCC3)C2)c1 96132293 XWMWNZNXDXFBOY-QGZVFWFLSA-N 374.485 2.800 0 50 FFAA O=C(Nc1ccc(OCCc2ccccn2)cc1)N1CCC[C@H](CO)C1 95529499 UOJCPFVPDNRDNN-INIZCTEOSA-N 355.438 2.939 0 50 FFAA OC[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H]1CN1CCCCC1 91997513 DKJJFOLMJMIBMC-ZIAGYGMSSA-N 358.313 2.915 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN(C(=O)C2CCCCC2)CC1 91616585 VHYFGEPBACBZOM-UHFFFAOYSA-N 374.529 2.966 0 50 FFAA O=C(CCN1CCC(O)(c2ccccc2)CC1)NCc1ccccc1F 244724088 MNIDPGRXVHXYJX-UHFFFAOYSA-N 356.441 2.816 0 50 FFAA CCC[C@H](NC(=O)c1cn2c3c(cccc3c1=O)CC2)c1nccn1C 243893390 AQTGQMIIYPIXFR-INIZCTEOSA-N 350.422 2.562 0 50 FFAA Cc1ccc(CN(CCO)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 180965047 DKLRUYNFBPGHJK-LJQANCHMSA-N 366.461 2.907 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N[C@H]1CCOc2c(F)cccc21 296141974 JRWTYKUAGCFFOO-ZDUSSCGKSA-N 356.444 2.576 0 50 FFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCSCC2)CC1 253390018 DTDGBLWZVYHASV-WKILWMFISA-N 371.506 2.778 0 50 FFAA Cc1oc(CN(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C(=O)O 299750598 OAOAFNFCRFOWMH-OAHLLOKOSA-N 374.418 2.748 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)N1CCC(O)(CN2CCCC2)CC1 534670404 RGLBWWUWDBIPIK-SFHVURJKSA-N 359.514 2.640 0 50 FFAA Cc1noc(C)c1CCNC(=O)c1ncn2c1CO[C@@H](c1ccccc1)C2 263618937 WFPJUNULJLRCEF-GOSISDBHSA-N 366.421 2.732 0 50 FFAA COCCNCC[C@@H]1CCC(=O)N1CCc1nc(-c2ccccc2)cs1 299767295 QODXRZSUUJBNKP-KRWDZBQOSA-N 373.522 2.970 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1NC(C)=O 299759558 ORJBBTMZZBYASC-HNNXBMFYSA-N 371.441 2.794 0 50 FFAA CCCCc1ccc(NC(=O)CCN2CCc3c(c(CO)nn3C)C2)cc1 299782363 GDGDKQRZPSYFDT-UHFFFAOYSA-N 370.497 2.642 0 50 FFAA O=C(c1ccco1)N1CCC2(CC1)CN(c1nc3ccccc3o1)CCO2 828188936 NPNLLUNAAVPQRZ-UHFFFAOYSA-N 367.405 2.932 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)NCc3ncccc3C)CC2)cc1 827758238 YNDRSKYQOWGRLS-UHFFFAOYSA-N 351.450 2.867 0 50 FFAA COC[C@H]1[C@@H](NC(=O)CCC(=O)c2cccc3ccccc23)[C@H]2CCO[C@H]21 1074577775 XBGKIYSUPIIOII-JZZBYWGLSA-N 367.445 2.969 0 50 FFAA Cc1cc2n(n1)CCN(C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1)C2 670448415 URUAFLZBGJYWIN-LJQANCHMSA-N 356.445 2.900 0 50 FFAA C[C@H](CCC(=O)Nc1cc(Cl)ccc1N(C)C)N1CCN(C)CC1 952978429 CGQUPRCDAQUEKF-CQSZACIVSA-N 352.910 2.761 0 50 FFAA C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC[C@@H](CO)CC1CCCCC1 170611740 TUPXCNTYOSRMNP-VSADUAAZSA-N 372.509 2.900 0 50 FFAA CCc1nnc(S)n1CCNC(=O)c1cc2c(s1)CCCCC2 170644953 BTVJGKVBPOVEGJ-UHFFFAOYSA-N 350.513 2.890 0 50 FFAA CCc1c(C)noc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2OC)C1 1506422246 NECTWANIFLRYPV-AWEZNQCLSA-N 357.410 2.541 0 50 FFAA Cc1ccc(C)c(-n2nnnc2SCC(=O)NCc2ccccc2)c1 622982 CCDGUNXNTRDVFD-UHFFFAOYSA-N 353.451 2.688 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1-c1ccc(F)cc1)C2 1704309030 WDCAMQNUJNDBRJ-QAPCUYQASA-N 354.425 2.895 0 50 FFAA COc1cccc2c1OCC(CN(CCN(C)C)Cc1cnc(C)[nH]1)=C2 1704327878 UIVXCAWXXFHTLK-UHFFFAOYSA-N 356.470 2.566 0 50 FFAA CO[C@H]1OC[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)OC1=O 147216726 HIIVZELVAPPCJD-SBHAEUEKSA-N 372.417 2.703 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3C[C@H]4CCN(C)C(=O)[C@H]4C3)c2)c1 1772811067 NXDTVZLWLBXWOE-QUCCMNQESA-N 364.445 2.913 0 50 FFAA CCc1cccc(C)c1NC(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1775977403 IWCDWUGVZKNPOV-QGZVFWFLSA-N 359.470 2.660 0 50 FFAA O=C(NCCN1CCCC1=O)c1ccc2oc(Cc3ccccc3)nc2c1 11839019 ZUJGYMSTCHCRRQ-UHFFFAOYSA-N 363.417 2.771 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCCCCC2)c1=O 12217324 GUGREGNWBSHGFO-UHFFFAOYSA-N 361.486 2.660 0 50 FFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc(CC(C)C)[nH]n2)C1 12306953 TVULBVSAPXZLDB-IBGZPJMESA-N 351.491 2.790 0 50 FFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1nccs1)C2 14537524 RHYHSTFWCRDGCK-CQSZACIVSA-N 373.526 2.540 0 50 FFAA CCCCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 1696141 MISGONGZKDJPCT-UHFFFAOYSA-N 353.465 2.866 0 50 FFAA CN1CCC2(CC1)OCCc1sc(C(=O)NCCc3ccccn3)cc12 1857689039 CIVYCAMTBXNKEX-UHFFFAOYSA-N 371.506 2.609 0 50 FFAA CNc1nccnc1N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 1857723682 QNUQEFPLCMJCOI-UHFFFAOYSA-N 368.485 2.796 0 50 FFAA Cn1cc(-c2nc(C(=O)N3CCC(c4ccncc4)CC3)cs2)cn1 329932102 AXCBJLCNPREIDR-UHFFFAOYSA-N 353.451 2.958 0 50 FFAA O=C(c1cc(F)cc2[nH]cnc12)N1CCC(C(=O)O)(c2ccccc2)CC1 238069066 QMCJKVVXCFJKFZ-UHFFFAOYSA-N 367.380 2.961 0 50 FFAA O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN2CCOC[C@H]2C1 368820926 HGJKARSFHGORMR-MRXNPFEDSA-N 372.400 2.561 0 50 FFAA CN(C)c1cccc(CNC(=O)N2CCC(Cc3cccnc3)CC2)n1 378406219 FQIJWADOCGPMAG-UHFFFAOYSA-N 353.470 2.707 0 50 FFAA CN1CCC[C@@H](CN(C)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 265272069 GWBJKPQLSIKJCL-MSOLQXFVSA-N 372.513 2.731 0 50 FFAA CN(C)c1ncc(CN2CCO[C@@H](c3cnn(C)c3)C2)c2ccccc12 929812467 HWTNVOKPCVWAOW-LJQANCHMSA-N 351.454 2.608 0 50 FFAA Cc1ccccc1-n1nc(C)c(CNC(=O)N2C[C@@H](O)C[C@H]2C2CC2)c1C 1875269847 ZAHRAASASPMMAO-PXNSSMCTSA-N 368.481 2.852 0 50 FFAA Cc1ccc2cc(CNC[C@H]3C[C@@H](c4n[nH]c(C)n4)C[C@H]3O)ccc2n1 888076235 LZMXFBLPTPSVTD-ZHALLVOQSA-N 351.454 2.614 0 50 FFAA CCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 4602603 QCFPBXMJWCLKFG-INIZCTEOSA-N 364.467 2.840 0 50 FFAA Cc1[nH]c2c(Cl)ccc(Cl)c2c1CCNC(=O)c1[nH]cnc1CN 2325792979 ALHBJOLHLHKFOE-UHFFFAOYSA-N 366.252 2.937 0 50 FFAA O[C@@H]1C[C@@H](O)CN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 2356146482 ICSVYRZYUZQGRV-HUUCEWRRSA-N 365.832 2.986 0 50 FFAA CCCN1CCC[C@]2(CCCN2Cc2ccc(OCC)c(CO)c2)C1=O 2356149184 OOYKIVHDBOIDLR-NRFANRHFSA-N 360.498 2.945 0 50 FFAA COCCn1cnnc1[C@H](C)Nc1nccc(-c2ccc(N(C)C)cc2)n1 2356169953 NVGJVXPRWPLEAX-AWEZNQCLSA-N 367.457 2.621 0 50 FFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 2927333 UFEZMDGTPGAVCW-OAHLLOKOSA-N 352.818 2.890 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 3864315 MNQODASRMQMUJM-SFHVURJKSA-N 356.397 2.689 0 50 FFAA CC[C@@H](C(=O)NCc1nnc2n1CCC2)n1cc(C(C)=O)c2ccccc21 55131621 YNERDPFBQDKYGK-INIZCTEOSA-N 365.437 2.649 0 50 FFAA CC[C@@]1(CO)CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67872981 QWMCYMLGARTMJO-LJQANCHMSA-N 361.417 2.753 0 50 FFAA O=C(NCC1(O)CCCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 23231496 APQPPBIXEATWCJ-INIZCTEOSA-N 350.503 2.759 0 50 FFAA CCOc1ncccc1CNc1nc(-c2cccnc2)nc2c1CCNC2 67819159 CXHWEXKSGXCHDD-UHFFFAOYSA-N 362.437 2.590 0 50 FFAA Cc1ccc(CNC(=O)[C@H](C)N2CC[C@H](CNc3ccccn3)C2)cc1 171644344 IAXLKALBVPYNIM-PKOBYXMFSA-N 352.482 2.829 0 50 FFAA COc1ccc(F)c(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 39461571 XGAKBSKAYJLVDH-LJQANCHMSA-N 358.457 2.903 0 50 FFAA O=c1oc2cc(OC[C@H](O)CNc3nccs3)ccc2c2c1CCC2 35686220 AVOIJSKNIJODCZ-LLVKDONJSA-N 358.419 2.590 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CC[C@@](C)(C(=O)O)C3)o2)cc1 237443051 MLZJEMNUYQAREM-LJQANCHMSA-N 358.394 2.606 0 50 FFAA CCN1C(=O)CC[C@H](C(=O)Nc2ccc3n[nH]cc3c2)[C@H]1c1ccncc1 487255678 BAOIQCAHHQLDJT-QFBILLFUSA-N 363.421 2.896 0 50 FFAA COc1cccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 376607499 YASADPQPRXMNRJ-QRVBRYPASA-N 367.449 2.804 0 50 FFAA NC(=O)C1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1 32092650 JNSFESHXDWRAHE-UHFFFAOYSA-N 360.417 2.634 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(F)F)C(=O)O 262440488 GTHZMSJIQDYKPT-MUWHJKNJSA-N 356.152 2.985 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc([C@@H]2CCOC2)c1 262929353 FVMCAAZOOGDUKH-IEBWSBKVSA-N 367.401 2.681 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)s1 77298283 DGSBIZSYWIQDBN-UHFFFAOYSA-N 350.875 2.700 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)c1ncoc1C1CC1)[C@H]1C[C@@H](O)C1 223161636 KOHZWXRTIXENAH-RBOXIYTFSA-N 360.385 2.942 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(OC)cc2OC)c1 44691638 FYICHWGCBXONJE-UHFFFAOYSA-N 356.422 2.943 0 50 FFAA O=C(NCCN1CCCCC1)N(Cc1ccc(O)cc1)Cc1cccnc1 426421896 OIBRJQXVIBQMFD-UHFFFAOYSA-N 368.481 2.985 0 50 FFAA CSCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 95390208 MZZLAHWSBVOWFT-QGZVFWFLSA-N 360.523 2.994 0 50 FFAA O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCCN(Cc2ccco2)C1 95378030 BBSQNMULPLYXMP-MRXNPFEDSA-N 365.437 2.593 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(-c3ccccc3)n1C)CC2 91694595 SJRRABHSJXWEJJ-MOPGFXCFSA-N 354.450 2.694 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C[C@H]1CC=CCC1)CC2 95506566 IRAMTNJACLSIIB-INIZCTEOSA-N 354.498 2.852 0 50 FFAA CCOc1cc(F)cc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c1 95386921 MPKMOVUJYAMYGV-LJQANCHMSA-N 373.428 2.563 0 50 FFAA Cc1nn(C)c2nc(N(Cc3ccncc3)C3CCN(C)CC3)sc12 95511636 QRCFUFNHSPXZGN-UHFFFAOYSA-N 356.499 2.834 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)N2CCCC[C@@H]2CO)s1 426691176 LGSCVBLNLWJBQZ-CYBMUJFWSA-N 361.467 2.875 0 50 FFAA CCCc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCC)N(CC=C(C)C)C2)cc1 95362818 LOQLWTYWYUBKSO-UXHICEINSA-N 371.525 2.914 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCN2)o1 178755227 XGVQUOLHOGZGSM-HNNXBMFYSA-N 350.422 2.923 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cnc(-c3cccnc3)nc2)s1 97495111 LTMOTTJIRKQFND-UHFFFAOYSA-N 372.479 2.611 0 50 FFAA Cc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 95519037 GFLJZZHFVLCSMG-SFHVURJKSA-N 374.554 2.586 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)CCc1n[nH]c3c1CCCC3)C2 95358098 UFRDAADVQRTHAL-CQSZACIVSA-N 369.465 2.597 0 50 FFAA CCOCc1nc(Cc2cccnc2)n(-c2ccc3c(c2)OCCO3)n1 95357166 YEKKXPSZKLFVGN-UHFFFAOYSA-N 352.394 2.561 0 50 FFAA COCCN(CCOc1ccccc1F)C(=O)c1cn2cc(C)ccc2n1 91656253 UNPYBSDIXKYELS-UHFFFAOYSA-N 371.412 2.949 0 50 FFAA CC(C)[C@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nc(C2CC2)no1 95354715 NJFZQGAEWZNKPH-INIZCTEOSA-N 374.485 2.799 0 50 FFAA Cc1ccc(NC(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)cc1 91656634 HDDPSSAUVSKVNM-HNNXBMFYSA-N 373.453 2.705 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(CCc1c[nH]c3ccccc13)CC2 299775245 CNFCODIQWSELKV-DZFGPLHGSA-N 358.482 2.731 0 50 FFAA CC(C)C(=O)Nc1ccc(NC(=O)CN2CCCCC2=O)cc1Cl 827831740 DCZQALCBIUQCNX-UHFFFAOYSA-N 351.834 2.886 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)NCc2cc3ccccc3o2)C1 584897319 SMRURNNFWPAQNI-OAHLLOKOSA-N 366.421 2.971 0 50 FFAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 952969048 QLMVRDWASSUHPF-KRWDZBQOSA-N 358.463 2.500 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCN1CCCCCC1=O 952968595 KSDARRCZMHAWAY-UHFFFAOYSA-N 371.481 2.962 0 50 FFAA Cc1nc(O)nc(O)c1CC(=O)NCc1cccc(Oc2ccccc2)c1 952970743 BORGXUZTJWNYCC-UHFFFAOYSA-N 365.389 2.847 0 50 FFAA Cc1ccc([C@H](C(=O)NCc2ccc(C(=O)N(C)C)cc2)N(C)C)cc1 952984177 IQFKYPJIZIZEEQ-LJQANCHMSA-N 353.466 2.616 0 50 FFAA CCc1nc2cc(NC(=O)c3cccc(-n4cnnc4)n3)ccc2n1CC 952978015 WWJOFDDQRJSEBS-UHFFFAOYSA-N 361.409 2.847 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C1 1565529648 SIDKHFLJSQTMLG-CABCVRRESA-N 367.877 2.716 0 50 FFAA CN1CCC2(CC1)C[C@@H](NC(=O)Cc1cncs1)c1ccccc1O2 187115823 XJUXDOYOJYODDB-MRXNPFEDSA-N 357.479 2.790 0 50 FFAA CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCN(Cc2ccccc2)C1=O 189783825 BIKKFOPLJMKQMM-IBGZPJMESA-N 360.417 2.503 0 50 FFAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 191039968 NRNDVGWXMKDKLT-HIFRSBDPSA-N 356.426 2.653 0 50 FFAA Cn1cccc1C(=O)C(=O)N1CCCN(c2nc3ccccc3s2)CC1 1506404458 YCPDSSFRLREWSD-UHFFFAOYSA-N 368.462 2.556 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC[C@H]2CCOC2)cc1 1704309617 YZKUMMZMFAAQEQ-CQSZACIVSA-N 371.437 2.717 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccc(Cl)cc1 1116991 VDDJZBVGNKBRNJ-UHFFFAOYSA-N 352.843 2.740 0 50 FFAA O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCC1 16647514 ADRCEJFRHSXOQV-UHFFFAOYSA-N 364.511 2.806 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3C)CC2)c1 19237217 ZBYFRPDDUVKIRB-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1OC 1456260 ZQGSRYFIDCABPL-QGZVFWFLSA-N 360.410 2.818 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1857668387 HMUPJMBSYWSKKS-OAHLLOKOSA-N 366.446 2.703 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669638 BFUJMXBWOUCQRK-XHDPSFHLSA-N 363.763 2.830 0 50 FFAA CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3cc(C)cc(F)c3)[C@H]3CC[C@]2(C1)O3 1857721597 XFWIYFRQMUJFRR-XKGFGPFHSA-N 374.456 2.670 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1C1CCS(=O)(=O)CC1 1857734279 HDESJUPPVVKRKD-CYBMUJFWSA-N 362.451 2.708 0 50 FFAA Cc1oncc1C(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 212978574 NATRBMCVGDUDKF-QAPCUYQASA-N 351.450 2.687 0 50 FFAA CCc1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 216518199 MIFVZTWWIFJOQP-MOPGFXCFSA-N 350.466 2.662 0 50 FFAA O=C(c1cnn2cccnc12)N1CCO[C@H](c2ccc(F)cc2Cl)C1 475858461 SSMCZRCQWVDBRD-HNNXBMFYSA-N 360.776 2.736 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 363360424 HUTRPXPFBAZWOD-QWRGUYRKSA-N 359.253 2.595 0 50 FFAA CC(C)(C)c1nsc(N2CCc3c(cccc3NS(C)(=O)=O)C2)n1 158793401 AUCRCXNLCAFIMH-UHFFFAOYSA-N 366.512 2.770 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)Nc3ccccc3-n3cccn3)C2)n1 263768164 IEKDHGFFWNNWIT-AWEZNQCLSA-N 352.398 2.975 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCCN(c3ncccc3F)CC2)cc1 952845900 IRHXSXIMBFJREE-UHFFFAOYSA-N 363.458 2.571 0 50 FFAA Cc1c(C(=O)O)sc2[nH]cnc(=N[C@@H]3C[C@@H](CO)c4ccccc43)c12 952876054 ZTNFTAHQYOQDIS-GXFFZTMASA-N 355.419 2.753 0 50 FFAA O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1conc1[C@@H]1CCCO1 1875280451 KNNBMMCYQJHDNG-KRWDZBQOSA-N 357.410 2.740 0 50 FFAA CCOc1cccnc1S(=O)(=O)N1CCC[C@@H](c2ncc(C)s2)C1 1875298869 QCESEZBKQDRSQY-CYBMUJFWSA-N 367.496 2.814 0 50 FFAA COc1cc(C)c(NC(=O)N2CCC[C@H](Cc3nc(C)no3)C2)c(C)n1 1875310893 GGXVSKXCFGBTDZ-CQSZACIVSA-N 359.430 2.885 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@H]1c1ccccc1 1875313413 NJKKQIRHGFAWLY-DLBZAZTESA-N 367.449 2.548 0 50 FFAA Cc1cc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)no1 705580 UODLQBKHDOUCHF-UHFFFAOYSA-N 354.395 2.544 0 50 FFAA CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2C(F)(F)F)[C@@]1(C)O 4786480 KFQVPIDRMXRPMB-HNNXBMFYSA-N 360.332 2.973 0 50 FFAA Cn1nc(C2CCC2)cc1C(=O)N1CCCC[C@H]1c1ocnc1C(=O)O 2325863020 QOGCVFVVPGOORF-ZDUSSCGKSA-N 358.398 2.741 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 2325884152 VMVNBQMXBZDLSM-UHFFFAOYSA-N 350.422 2.815 0 50 FFAA Cc1nnc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)o1 2356151225 YDPVXYUIKSTFJQ-HXUWFJFHSA-N 354.454 2.578 0 50 FFAA CC(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1 2826413 HOHQIVODVGPZHU-UHFFFAOYSA-N 373.482 2.545 0 50 FFAA O=C(Nc1cccnc1)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 6398627 MDRNLOISRXVXMB-UHFFFAOYSA-N 352.375 2.597 0 50 FFAA Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)no1 100559567 WJLRYFFGIIVKOX-MGBSGCIJSA-N 363.373 2.547 0 50 FFAA CCCCc1nnc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)s1 59759538 RDCZQNZPKMHRHY-UHFFFAOYSA-N 367.519 2.993 0 50 FFAA COc1ccc(OC)c(NC(=O)N2CCCN(C(=O)c3ccoc3)CC2)c1 56526993 VVXPSZPELLMYPP-UHFFFAOYSA-N 373.409 2.677 0 50 FFAA O=C(C[C@H]1CCc2ccccc21)N1CCN(C(=O)c2cccc(O)c2)CC1 115711713 VELDAPIMPZWXHY-QGZVFWFLSA-N 364.445 2.797 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1C 65429103 AXNOPJVWCNTXFE-INIZCTEOSA-N 373.453 2.539 0 50 FFAA CN1CCN(c2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 24699078 NTMOIXDRMVCRKN-UHFFFAOYSA-N 367.449 2.738 0 50 FFAA CC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CNC3)no1 72154854 PYLAZMMYSBAPAU-UHFFFAOYSA-N 350.426 2.940 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2C)cc(N2CCCC2)n1 65365356 ADPDAOXOXHKXLR-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA O=C1N[C@](NCCc2ccccc2)(C(F)(F)F)C(=O)N1C1CCCCC1 22620109 XTAJXBLGNBJIIC-KRWDZBQOSA-N 369.387 2.962 0 50 FFAA COc1cc(CN[C@@H]2CC(=O)N(C3CCCCCC3)C2)cc2c1OCO2 12430820 JQOLTYPJEIFWGC-OAHLLOKOSA-N 360.454 2.837 0 50 FFAA C[C@@H]1CCCN(C(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 252458418 GKFDGBJRKCETNM-ZTFGCOKTSA-N 367.449 2.519 0 50 FFAA C[C@@H](CCN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 253397103 LYLDZAPWPXMUQN-JTQLQIEISA-N 356.348 2.825 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1 2561860 NNFQQLOQPCIKAD-UHFFFAOYSA-N 360.435 2.706 0 50 FFAA CCc1noc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72137325 MMUZHJVTDARZGM-IOMROCGXSA-N 368.481 2.703 0 50 FFAA CCc1nc(C)sc1C(=O)N1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 72436308 INROOQZLOXFQHG-BETUJISGSA-N 351.516 2.728 0 50 FFAA O[C@@H](Cn1ccnc1-c1cnccn1)c1ccc(OC(F)(F)F)cc1 151950686 NYACSSBXQBHVAT-AWEZNQCLSA-N 350.300 2.972 0 50 FFAA Cc1nc(NC[C@H](NCc2ccccc2)C(F)(F)F)c2cnn(C)c2n1 253420602 YYAWEAJFFLIKDU-AWEZNQCLSA-N 364.375 2.804 0 50 FFAA CN1C(=O)C[C@@H](CNC2CCC(C(F)(F)F)CC2)[C@@H]1c1cnn(C)c1 328623387 JAGDNHADQWLQLZ-QPUFIGCCSA-N 358.408 2.650 0 50 FFAA O=C(CS(=O)(=O)C1CCCC1)NOCc1ccc(C(F)(F)F)cc1 152127907 OQIZFAIOYULTEF-UHFFFAOYSA-N 365.373 2.611 0 50 FFAA CC(C)c1nc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)co1 71754039 QJQMNJOCZQHARS-INIZCTEOSA-N 374.529 2.753 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCO1 237962727 NLJJQJZENVJRRS-RDQDRAATSA-N 363.719 2.598 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1 72474140 NKBDPKXLYPYFIA-UHFFFAOYSA-N 353.466 2.748 0 50 FFAA c1ccc(-c2nnc3n2CCN(Cc2cn(-c4ccccc4)nn2)CC3)cc1 72149763 HAQORQIYQBOLPS-UHFFFAOYSA-N 371.448 2.584 0 50 FFAA CC[C@@H](O)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 39447651 UOQILBCTTZETHI-CYBMUJFWSA-N 370.409 2.999 0 50 FFAA CCCc1cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)nc(C)n1 72169447 ZNKAJMGESAWSIU-UXHICEINSA-N 352.482 2.650 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1O 77469860 QUTDXSFLAKJZQS-OAQYLSRUSA-N 372.465 2.656 0 50 FFAA CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 332193863 VQUVAQHGTDLJKG-NSHDSACASA-N 351.428 2.735 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cn(C[C@H]2CCCNC2)nn1 215689960 RKDMFPCBHTUJMH-AWEZNQCLSA-N 373.888 2.740 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1cnc(C(C)C)nc1 1073265480 JVNBORSZDGYAIN-AEFFLSMTSA-N 354.502 2.728 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2CC(=O)N2CCOc3ccccc32)n1 77487382 XEQLKVZMQVYUOE-HNNXBMFYSA-N 356.426 2.756 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(N2CCCC2=O)c1 241466104 NUWCBENNAUITBZ-OLMNPRSZSA-N 370.449 2.760 0 50 FFAA CN(Cc1cc2ccccc2o1)C(=O)c1cc(N2CCOCC2)ccn1 131443259 WWZYOEYMXOBHFW-UHFFFAOYSA-N 351.406 2.937 0 50 FFAA CCCc1nnc(S)n1CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 159935001 JZTXFUZMQAOOHT-ZDUSSCGKSA-N 360.483 2.938 0 50 FFAA C[C@H](CCc1c[nH]c2ccccc12)N1CCC(n2cc(CO)nn2)CC1 20452370 SFSSXHZZJCULLX-OAHLLOKOSA-N 353.470 2.910 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2onc3c2CCCC3)n1 426527756 JRQKLHKNRPZSGD-UHFFFAOYSA-N 354.332 2.643 0 50 FFAA Cc1nc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)sc1C 44901245 PGAMAGQMIZEOMA-UHFFFAOYSA-N 358.398 2.761 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc1 221271875 RBMPFUBDLRZTDP-HXUWFJFHSA-N 363.465 2.857 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCN(C2CCCC2)CC1 426492802 LYNHXOXWRHTOTB-HXUWFJFHSA-N 370.541 2.921 0 50 FFAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@@H](CN2CCOCC2)C1 19744843 JFYFWCJDVOWXPG-HNNXBMFYSA-N 369.465 2.890 0 50 FFAA Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)Nc1ccn(C(C)(C)C)n1 288332208 YEYLOTBZOMYATL-UHFFFAOYSA-N 372.473 2.997 0 50 FFAA O=C(CCCn1ccnc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 221449086 LDUHNWITSMLUNC-UXHICEINSA-N 352.482 2.786 0 50 FFAA CC(C)Cc1cc(C(=O)NCc2nc(Cc3ccccc3)no2)n(C)n1 82099651 BXIZODQKLQXZTP-UHFFFAOYSA-N 353.426 2.522 0 50 FFAA O=C(c1cscn1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91519167 FAQNQQGAXIDFKL-WMLDXEAASA-N 353.491 2.847 0 50 FFAA CN(C)C(=O)CCc1ccc(NC(=O)N2CCC[C@@H]2Cn2cccn2)cc1 426584192 YXBMCKZIXSKCLA-GOSISDBHSA-N 369.469 2.600 0 50 FFAA CCCN1CCC[C@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O 91769689 RDNWABFVEWJIGV-OAQYLSRUSA-N 355.482 2.909 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N(C)CCc2noc(C3CC3)n2)c1 91535450 YRYGVAUOWRRKEL-UHFFFAOYSA-N 367.409 2.660 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 95527048 COQPJUHSFOGCNK-OAHLLOKOSA-N 366.339 2.849 0 50 FFAA Cc1ccsc1CN1CCC(c2nnc(Cn3cccn3)n2C)CC1 91416753 SKPXHNKXKSOFQG-UHFFFAOYSA-N 356.499 2.809 0 50 FFAA CCN1CC2(CCN(c3cc(N)ncn3)CC2)C[C@@H](c2ccccc2)C1=O 91986813 NPHCNETYNZMROV-KRWDZBQOSA-N 365.481 2.681 0 50 FFAA CCS(=O)(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 91350901 NRJWVOBETMECNP-INIZCTEOSA-N 363.483 2.834 0 50 FFAA COc1cccc([C@@H]2CN(Cc3csc(C)n3)C[C@H]2C(=O)O)c1OC 91817581 VELYDXFDNDQSKI-LSDHHAIUSA-N 362.451 2.769 0 50 FFAA COC(=O)c1cccnc1N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95355426 FMRVKFBDCHWGAE-KRWDZBQOSA-N 365.433 2.511 0 50 FFAA Cc1ccc(C)c2c1NC(=O)[C@@H]2CC(=O)N(C)Cc1[nH]nc2c1CCC2 95511995 BPCXYHNDJZXJNZ-CQSZACIVSA-N 352.438 2.600 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)N1CCC(CCn2cccn2)CC1 91526908 JDXGUSVTWQHHTC-UHFFFAOYSA-N 369.425 2.788 0 50 FFAA CC1(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 95384869 PCHLSZLZYSDDAH-KFKAGJAMSA-N 354.450 2.604 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1c[nH]nc1C1CCCCC1 244773957 PJKCRRGALOMWSB-HHXXYDBFSA-N 368.481 2.964 0 50 FFAA Cc1sccc1C(=O)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 297150221 RKFFEQZMHZZRJF-KRWDZBQOSA-N 368.462 2.910 0 50 FFAA Cc1nc2cc(C(=O)N3CCC[C@H]3Cn3cc(C4CC4)nn3)ccc2o1 299742368 HJLVTYBREVRBIL-HNNXBMFYSA-N 351.410 2.910 0 50 FFAA Cc1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C(F)(F)F)nn1C 534648218 VINFRWJYZLQZAR-UHFFFAOYSA-N 353.344 2.887 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc2n(n1)CCCNC2 65409212 NXOFEAGMUJTKLK-UHFFFAOYSA-N 367.478 2.772 0 50 FFAA COc1ccccc1Oc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)cn1 299800483 SQKIFOUQXVPKPF-DZGCQCFKSA-N 354.410 2.708 0 50 FFAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1CCc1ccccn1)C2 299789279 ZFKJNVAJUAOKGX-AEFFLSMTSA-N 364.449 2.609 0 50 FFAA O=C(NCCNc1cccnc1)[C@H](c1ccc(F)cc1)N1CCCCC1 827647752 VROBUKSSTCITKS-IBGZPJMESA-N 356.445 2.976 0 50 FFAA CCN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)[C@H]1CCCC[C@@H]1O 1565515299 DEYDEUZHOBNFEY-ROUUACIJSA-N 361.417 2.893 0 50 FFAA CCc1ncsc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275518992 DSVQJTZPHFKIGM-AWEZNQCLSA-N 372.494 2.994 0 50 FFAA c1cnc(-n2cncn2)c(CNc2cncc(OCC3CCCC3)n2)c1 185181489 RLQZPLBCDXNMJW-UHFFFAOYSA-N 351.414 2.633 0 50 FFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 186650525 XLBVIDXZSWHLJJ-CQSZACIVSA-N 372.387 2.645 0 50 FFAA CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NCc3csnn3)cc2C1 798277589 VEFWTWYJWYRFGJ-GFCCVEGCSA-N 361.471 2.927 0 50 FFAA O=C1NCCN(Cc2cc(-c3cccnc3)no2)[C@@H]1c1ccc(F)cc1 1506401627 KVDQHHRPCJMPGA-GOSISDBHSA-N 352.369 2.549 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)NC(c2ccccc2)c2ccccc2)C1 1506397935 ZGCSAPKIDYCTJT-QGZVFWFLSA-N 374.506 2.969 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2cnn(Cc3ccccc3)c2)CC1 1506397343 SEGJJMCRHMVMOJ-UHFFFAOYSA-N 364.453 2.647 0 50 FFAA O=C(NCc1cccnc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 1106375 XVPOUOAMTGCGBG-UHFFFAOYSA-N 357.841 2.904 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@@H](C)c3cnn(C)c3C)no2)c1 12090230 MFOBYFILMBKGMX-LBPRGKRZSA-N 370.409 2.795 0 50 FFAA CCCCN(C)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C)C1=O 12165544 WUVCTWZFSPZNJU-SFHVURJKSA-N 350.846 2.615 0 50 FFAA CC(C)CC(=O)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12583926 PAGYKTITYNVMFS-UHFFFAOYSA-N 356.378 2.570 0 50 FFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CSC)C2)c1 12757813 RLXCPEHYLPTIRM-HNNXBMFYSA-N 364.511 2.693 0 50 FFAA CCc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cs1 13745142 SGZJKHNYYOLVAX-UHFFFAOYSA-N 370.521 2.519 0 50 FFAA CN(C[C@@H]1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1 14960371 OMXLILQSWWRLGE-LBPRGKRZSA-N 365.380 2.698 0 50 FFAA CCSc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)s2)n1C 14987810 JGWKFNXTXLZKTQ-SSDOTTSWSA-N 366.921 2.682 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cc(OC)cc(OC)c1 980414 VADRYCJKYJJKLV-UHFFFAOYSA-N 374.418 2.617 0 50 FFAA Cc1cccc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1C 4335355 QEZNHRRNTZWBKC-UHFFFAOYSA-N 351.516 2.546 0 50 FFAA O=C(c1ccc2n[nH]nc2c1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 216953562 LKAKTKGWSMFKTP-AEFFLSMTSA-N 361.449 2.695 0 50 FFAA Cc1noc([C@H](C)NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 330716955 DBXJHCZWKPNERJ-CBAPKCEASA-N 359.352 2.735 0 50 FFAA CC[C@H](c1ccccc1)c1nnc(NC(=O)N2C[C@H](O)C(C)(C)C2)s1 331493457 VQZSFIQGLLQWGQ-KGLIPLIRSA-N 360.483 3.315 0 50 FFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C[C@H]1CCC(=O)NC1 333743173 YKGLSYMINUUYAV-IOASZLSFSA-N 350.846 2.545 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCc1nc(C2CCCC2)no1 238027498 NEPDBDAMDZOTOE-MRXNPFEDSA-N 369.421 2.698 0 50 FFAA COc1cccc(C2(NC(=O)CCCn3ccc(C(=O)O)n3)CCC2)c1 909990039 TZWHNCIDAUZBBD-UHFFFAOYSA-N 357.410 2.566 0 50 FFAA CC(C)c1cccc(C(=O)N2CCCN(c3ccc(C(=O)O)cn3)CC2)n1 911308729 QXMUALLGHQNPQS-UHFFFAOYSA-N 368.437 2.651 0 50 FFAA Cc1cccc(C(=O)NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)c1F 952849613 XZWBQHKSABSBOF-GZBFAFLISA-N 359.401 2.679 0 50 FFAA NC(=O)CCOc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 1875254343 FRIFNKMJBZXJDD-UHFFFAOYSA-N 372.805 2.534 0 50 FFAA Cc1cccn2c(CC(=O)Nc3cccc(N4C(=O)NC[C@@H]4C)c3)cnc12 1875271997 ZLRSIHHQKFKAPO-AWEZNQCLSA-N 363.421 2.742 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1Nc1nccn2cncc12 1875398311 LEGZODILZSFNIX-KVSKMBFKSA-N 374.448 2.844 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(C(F)(F)F)n1 1875316263 DXAODKYFZUNCBW-UHFFFAOYSA-N 361.327 2.654 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3cc(C(F)(F)F)ccn3)n[nH]c21 1875395155 NTYQEPTXEBVZMX-ZJUUUORDSA-N 368.359 2.818 0 50 FFAA CN(C)C[C@@H](CCO)N=c1[nH]c(-c2cccc(Cl)c2)nc2c1CCCC2 1875350211 FFMIQDYAURCNJG-MRXNPFEDSA-N 374.916 2.822 0 50 FFAA CCOc1cc(C(F)(F)F)cc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)n1 886091353 OKZISOVLZJENDI-FDYHWXHSSA-N 369.343 2.916 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1F 717113 LEHXECKMZFAVRU-GFCCVEGCSA-N 357.179 2.731 0 50 FFAA COc1ccc([C@@H]2[C@@H](c3nc(C)nn3C(C)C)OCC(=O)N2C2CC2)cc1 2100482654 OVUDHHNUNQMSQV-MOPGFXCFSA-N 370.453 2.980 0 50 FFAA CCn1ncc2c1CC[C@@H](NC(=O)c1ccc(Cn3cc(C)cn3)cc1)C2 2325790257 AJEHGTJDUBSNPM-LJQANCHMSA-N 363.465 2.744 0 50 FFAA CN(C)CCCn1nc(-c2ccc(Cl)cc2)nc1C1COCCOC1 2325849064 BVWKRJZBFBWMKM-UHFFFAOYSA-N 364.877 2.681 0 50 FFAA CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(Br)cc1F 95220994 WSYMSEUMLYZFLW-UHFFFAOYSA-N 361.163 2.513 0 50 FFAA in-vitro COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 725713 FSPQCTGGIANIJZ-UHFFFAOYSA-N 360.435 2.995 0 50 FFAA biogenic,in-vitro Cc1cccc(F)c1C(=O)N1CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356157222 FXHYGAKGPUUCKJ-DNVCBOLYSA-N 351.418 2.848 0 50 FFAA O=C(c1ccncc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 8048350 IXIXRJSRRZLTOH-UHFFFAOYSA-N 371.462 2.505 0 50 FFAA O=C(C[C@H]1SCCNC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8215828 QWVRQLXCKOQUQJ-SNVBAGLBSA-N 352.765 2.919 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 100796021 DKMJOTIUFSZSNO-PYTWLRIVSA-N 362.857 2.736 0 50 FFAA CCOc1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)ccc1O 20911536 OZLZYTBOSKOUQK-IBGZPJMESA-N 362.514 2.992 0 50 FFAA O=C(N1C[C@H]2CC[C@H]1C2)C1(Oc2ccc3ncccc3c2)CCNCC1 101843929 FNXRUVHVMUSHRU-RDJZCZTQSA-N 351.450 2.747 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2ccc(F)cc2)CC1 20457806 LMAXEPLWWXXIGG-UHFFFAOYSA-N 357.385 2.904 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 67601886 NOBAXNVXKVMDTL-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA c1cncc(-c2nc3c(c(NCc4ccc5c(c4)OCO5)n2)CCNC3)c1 67673377 FXNSPEKJZVNCQV-UHFFFAOYSA-N 361.405 2.525 0 50 FFAA Cc1ccc(OCc2nc(CN3CCN(CCO)[C@@H](C)C3)cs2)cc1 249581070 RBJOETVJTNZLMV-INIZCTEOSA-N 361.511 2.529 0 50 FFAA C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(CCc2ccccn2)CC1 20897274 PDMKQMHIOAPTPU-MRXNPFEDSA-N 373.884 2.889 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2nc3ccccc3o2)C1 72419501 VEZMNTSXCDPCCB-HNNXBMFYSA-N 366.469 2.936 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 229687498 KSABAPWXPQTVHF-JFIYKMOQSA-N 374.481 2.562 0 50 FFAA COCc1noc([C@@H](C)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623887 CBXDYNQPKWEGCG-MNOVXSKESA-N 373.379 2.687 0 50 FFAA Cc1cccc(C)c1NC(=O)C1=C(O)c2ccccc2N(C)S1(=O)=O 6055846 VUABFGVETJDZDF-UHFFFAOYSA-N 358.419 2.948 0 50 FFAA CCN(CCN(C)C)Cc1cc2cc(C)ccc2nc1N1CCC[C@H](O)C1 72478287 OXVHFAUTDLRMSZ-FQEVSTJZSA-N 370.541 2.888 0 50 FFAA O=C1C[C@@H](Cc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)C(=O)N1 121807990 SQGKWOBWWYJRLE-OAHLLOKOSA-N 357.793 2.902 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCn2ccnc2-c2ccc(CO)o2)n1 71761174 QHALDZDTKOGNSU-UHFFFAOYSA-N 352.316 2.995 0 50 FFAA O=C(O)Cc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77517939 UDZHDRDJGFFZSA-NRFANRHFSA-N 356.466 2.681 0 50 FFAA COc1cccc(C2(C(=O)NCc3nc(C(=O)O)cs3)CCCC2)c1 124374217 VVQFTLIPVOXSKB-UHFFFAOYSA-N 360.435 2.978 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)N1CCO[C@H]([C@H]2CCCO2)C1 151740436 JKFJXDYWXFJPSO-KGLIPLIRSA-N 364.492 2.821 0 50 FFAA CCc1nccn1CCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72407712 NMYQJHDEYMCJSH-UHFFFAOYSA-N 370.541 2.949 0 50 FFAA Cc1ccn2c(C3CCN(CC(=O)N4CCCC[C@H]4C)CC3)nnc2c1 364601970 DPKANYKFJFCDHG-MRXNPFEDSA-N 355.486 2.618 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CC[C@@]3(CCCOC3)C2)CC1 489273630 BCYUTZUFONLXBF-NRFANRHFSA-N 373.497 2.876 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC(Cn2ccnc2)CC1 77436447 DCDOOLAYXXWHGN-UHFFFAOYSA-N 365.437 2.805 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)no1 216093290 KCVWFJVWWCQVPY-GXTWGEPZSA-N 374.466 2.518 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H](Cc1c[nH]cn1)n1cccc1)C2 71315070 OXOIWQDQECHQFW-GOSISDBHSA-N 364.453 2.526 0 50 FFAA CCC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 455542920 NSMRHDFRTKLKPO-HOTGVXAUSA-N 367.515 2.740 0 50 FFAA Cc1nc(NC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)nn1C 48175399 QGAJQDFLUPPSNR-UHFFFAOYSA-N 367.413 2.585 0 50 FFAA Cc1cc(NCc2cc3n(n2)CCCN(CC(C)C)C3)nc(N(C)C)n1 82098260 KOIRGHHFSIQBCX-UHFFFAOYSA-N 357.506 2.521 0 50 FFAA Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCOc2ccccc21 176175051 YRFKKUVDIKPCJE-IRXDYDNUSA-N 354.454 2.932 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2)n1 426519180 DNHYGZFOJVAHCL-UHFFFAOYSA-N 365.462 2.993 0 50 FFAA O=C(/C=C/c1ccccn1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48435691 RXSAVHULGCKJLQ-FNORWQNLSA-N 374.400 2.799 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 223757666 LGWIEIHZMIIILW-IBGZPJMESA-N 358.461 2.872 0 50 FFAA CCc1cc(-c2cccc(C(=O)N3C[C@H]4[C@H](CN(C)C)[C@H]4C3)c2)nc(C)n1 426536272 LDYLZMHSTHGJQF-OWZKRDHZSA-N 364.493 2.894 0 50 FFAA CCN(C)c1cc(-c2cccc(C(=O)NCc3cnc(C)cn3)c2)ncn1 426359630 NBNAZDXVGYNFAG-UHFFFAOYSA-N 362.437 2.628 0 50 FFAA O=C(O)[C@H](Cc1nc2ccccc2[nH]1)Nc1nccc(-c2cccnc2)n1 97551360 XEVVRZJQJABVCP-INIZCTEOSA-N 360.377 2.523 0 50 FFAA CCc1nc(C)ccc1OCC(=O)NC[C@H]1COc2cc(OC)ccc2C1 91351254 SREOQNMADSFLFM-HNNXBMFYSA-N 370.449 2.707 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91746005 VRRMZAUKQRGBHK-HXUWFJFHSA-N 358.486 2.760 0 50 FFAA O=C1C[C@H](C(=O)NCc2cc(-c3ccccn3)no2)c2cc(F)ccc2N1 91469031 XKUYSYOGHUOESJ-AWEZNQCLSA-N 366.352 2.618 0 50 FFAA O=C(CCCc1nc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1 96179808 PXYWNMOHTVATIW-MRXNPFEDSA-N 373.478 2.721 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1 91964562 GWHJWYDCXMRFDJ-UYAOXDASSA-N 370.493 2.991 0 50 FFAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCCN(Cc2cccnc2)CC1 95389051 NIGJHPKFPOMFBB-IBGZPJMESA-N 373.428 2.563 0 50 FFAA CC[C@H](C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)n1cccn1 91872639 IAVFVELYSGUMKA-CQSZACIVSA-N 359.817 2.897 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccccc1)C2 91305606 LODUOXRIFBPNIU-ZWKOTPCHSA-N 364.449 2.528 0 50 FFAA CN(C[C@@H]1COCCO1)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95376274 YALROOYOSNDXPK-QGZVFWFLSA-N 369.396 2.628 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)C1 91536881 QYGDAIPKGSDXPA-SFHVURJKSA-N 367.493 2.813 0 50 FFAA OCCC[C@@H]1CN(Cc2cccc3cccnc23)CC[C@@H]1N1CCOCC1 91434970 XMWANWBTQAXVDK-CTNGQTDRSA-N 369.509 2.530 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)C1=O 91321547 VIIYNLZIWOOWQE-KRWDZBQOSA-N 354.372 2.719 0 50 FFAA O=C(NCc1csc(-c2ncccn2)n1)c1c[nH]nc1-c1ccccc1 91755783 QZGHHYUWRURNTG-UHFFFAOYSA-N 362.418 2.920 0 50 FFAA CN(C)C1(CNC(=O)c2ccc(CN3CCCCCC3)cc2)CCOCC1 244602030 DWIDMEXFCWPDKL-UHFFFAOYSA-N 373.541 2.903 0 50 FFAA CCc1ncc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3C)C2)[nH]1 952990765 IDKBFPGZJOFYSI-OAHLLOKOSA-N 363.483 2.760 0 50 FFAA COc1cccc(CCC(=O)NC[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1 952970749 VHLSJIJNIHMZIC-QGZVFWFLSA-N 369.465 2.625 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1COc2ccccc2O1 952872876 QSZXOODJDNKNEB-SFHVURJKSA-N 351.362 2.535 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)n1 952990162 GUOFBXQRUGMSQA-ZDUSSCGKSA-N 373.482 2.926 0 50 FFAA O[C@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@@H]1Nc1ncccn1 1565531334 SDIGOYBFJKJTNO-WMZOPIPTSA-N 357.458 2.560 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCC[C@H]1CO 170055513 VAHHJHKMHPSRDU-UONOGXRCSA-N 370.478 2.827 0 50 FFAA C[C@@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1cc(Cl)cc(Cl)c1 186645737 DSLLRESLLDSOSO-MRVPVSSYSA-N 372.233 2.924 0 50 FFAA O=C(NCC1(O)CCCCCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 170633119 VDNVZCXNDJMESK-INIZCTEOSA-N 350.503 2.759 0 50 FFAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCCc1ccc(Cl)cc1 188296264 GSQAUZICWJUAST-OAHLLOKOSA-N 367.921 2.759 0 50 FFAA CC(C)CCNC(=O)C1CCN(C(=O)CN[C@@H]2CCCC2(C)C)CC1 191855090 CZRAVBINFIFRQF-QGZVFWFLSA-N 351.535 2.556 0 50 FFAA O=C(c1ccn(CC(F)F)n1)N1CCN(Cc2ccc(Cl)s2)CC1 193697409 QWTSAWCPBRKELB-UHFFFAOYSA-N 374.844 2.821 0 50 FFAA CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)O1 201088184 ZHFVGOMEUGAIJX-KSWRQPAISA-N 350.411 2.600 0 50 FFAA COCCOCCN(CCc1ccc(OC)c(OC)c1)Cc1ccncc1 1529144193 RJGMBPPJJYPAQJ-UHFFFAOYSA-N 374.481 2.807 0 50 FFAA CCN(CC)C[C@@H](O)COc1ccc(CNCCCSC)cc1OC 11944795 WCOYFEMTYLFNKJ-QGZVFWFLSA-N 370.559 2.619 0 50 FFAA O=C(Nc1ccccc1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003463 CWDWRDUJMBNVBE-UHFFFAOYSA-N 364.810 2.659 0 50 FFAA COc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1OC 6425533 PIOZLIQATFKBKT-UHFFFAOYSA-N 358.467 2.618 0 50 FFAA CN1C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2C1=O 2846171 YQKCATSZRWTHCU-UHFFFAOYSA-N 370.233 2.860 0 50 FFAA C[C@@H](CN1CCCC1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857671910 WWDRQUIQKGLNRG-INIZCTEOSA-N 352.482 2.736 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@H]3CCn4nccc4C3)c2)n1 1857734537 LMPCPKKMGAGBND-SFHVURJKSA-N 363.465 2.907 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cccc(F)c1F 1857735495 PVPOSODFJQITOQ-RVKKMQEKSA-N 358.388 2.909 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1 122845027 JXUTUKWBHDBYJP-OAHLLOKOSA-N 369.469 2.830 0 50 FFAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC1CC(OCc3ccccc3)C1)C2 903114495 BSVSFVKKRUXMGR-XJSHKYLYSA-N 358.526 2.804 0 50 FFAA COc1ccc2c(n1)N(C)CCN2C(=O)c1ncsc1C(F)(F)F 906209569 XEEZVPMDJCNMCZ-UHFFFAOYSA-N 358.345 2.662 0 50 FFAA CC(C)(O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 874183122 PWZLJSLMDKQAFW-UHFFFAOYSA-N 373.497 2.625 0 50 FFAA O=S(=O)(N[C@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1)c1ccc(Cl)o1 1875297771 CQUYJIPXGGMVGU-SVRRBLITSA-N 369.752 2.595 0 50 FFAA C[C@H](NC(=O)N=c1ccn(Cc2ccncc2)[nH]1)[C@H](C)Oc1ccccc1 1875264560 DDMPFPMDAGSTDZ-HOTGVXAUSA-N 365.437 2.726 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCO[C@H]3C(F)(F)F)ccc21 1875371727 KIJAPSAIYLXBDK-INIZCTEOSA-N 354.328 2.513 0 50 FFAA C=CC(=O)NC1CCC(N(C)C(=O)[C@@H]2CCc3cccc(OC)c32)CC1 1875385760 AZBPAHGTYQTKFM-OFLPRAFFSA-N 356.466 2.797 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@@]2(CCCN2)C1)c1cnn(C2CCCC2)c1 1875393036 DMUGAJHTIPYGRX-BXKMTCNYSA-N 350.488 2.522 0 50 FFAA CC[C@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(c3ncnc(C)c3OC)C[C@@H]2CC1 1875408287 SFGSBLLIXZXDRQ-MWDXBVQZSA-N 358.486 2.515 0 50 FFAA O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@@H](n2ccnn2)C1 886074553 CBUCTNZQHGSYJD-OAHLLOKOSA-N 365.397 2.729 0 50 FFAA CO[C@@H]1Cc2ccccc2N(C(=O)c2cn(C)nc2C2CCOCC2)C1 886078154 OAEXOUDPLVMEQL-MRXNPFEDSA-N 355.438 2.532 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(C(=O)C/C=C/c3ccc(F)cc3)C2)n1 888078395 NLFVVACIQZTAOR-NLJSWGTCSA-N 359.401 2.517 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)CCc2cc(F)ccc2F)C1 888078882 GFUSYDSROJZNBJ-JQHSSLGASA-N 352.425 2.655 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 398014325 VKVSKRGVSODFOX-KDOFPFPSSA-N 368.437 2.817 0 50 FFAA O=C(O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 41148872 WUYBQDGOFBMADH-UHFFFAOYSA-N 350.378 2.908 0 50 FFAA O=C(O)c1csc(CC2CCN(C(=O)[C@@H]3C[C@H]3c3ccccn3)CC2)n1 2325769388 GXHPWPRTXAOYTO-ZIAGYGMSSA-N 371.462 2.821 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N1CCC[C@H]([C@]23CC[C@@H]2CCN3)C1 2325787772 WHRUSOGXHYLVLV-FGSXEWAUSA-N 368.525 2.753 0 50 FFAA Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C(F)(F)F)CO2)c1 2325813423 MSRKZVXHZSNVDC-CVEARBPZSA-N 367.371 2.823 0 50 FFAA O=C(O)CC[C@H](CNS(=O)(=O)c1ccc(Cl)s1)C(F)(F)F 1802363 MMJIZRQLHKWCBH-ZCFIWIBFSA-N 365.782 2.723 0 50 FFAA CC(=O)N[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356157426 KFIJDABLNHXNBL-CYBMUJFWSA-N 363.801 2.798 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)C1=O 2356167807 CQMDAHTWLZIKJE-NRFANRHFSA-N 366.465 2.527 0 50 FFAA Cc1ccccc1Cn1nc([C@@H](O)c2ccccc2)nc1[C@@H]1[C@H]2CNC[C@H]21 102036688 DEVJRIAIDRGVLU-NMLBUPMWSA-N 360.461 2.649 0 50 FFAA O=C(Cc1ccncc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 279837066 FGZHLUSEHQGIKQ-BBRMVZONSA-N 350.340 2.977 0 50 FFAA COc1ccc(Cn2cc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cn2)cc1 114396106 AMZCDQVRNPLPOJ-UHFFFAOYSA-N 374.404 2.977 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2nnc([C@H]3CCCO3)s2)[C@@H]1c1ccccc1 170610737 ZKIPKPXGNRMWDA-GUTXKFCHSA-N 372.450 2.548 0 50 FFAA CCC(=O)Nc1ccc(OCC(=O)N(CC2CC2)C[C@H]2CCCO2)cc1 55283362 YJHMWHVRJYWXRD-GOSISDBHSA-N 360.454 2.832 0 50 FFAA O=[S@@](Cc1csc(C2CC2)n1)Cc1nc(O)cc(C(F)(F)F)n1 134439238 GDLUBAUTOHTTIK-HSZRJFAPSA-N 363.386 2.984 0 50 FFAA Cc1c(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)cnc2ccnn12 67974336 DBXRCFKFIBNZEG-UHFFFAOYSA-N 356.389 2.651 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCCCO2)CN1CCc1ccc(Cl)cc1 12585206 MYFXOFMFSACBIF-OAHLLOKOSA-N 350.846 2.675 0 50 FFAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCCCNC1=O 252514749 DCQWLRYLDFCSQQ-BFHYXJOUSA-N 370.371 2.816 0 50 FFAA OC[C@@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1 39445512 FAOPSLRLKNVHCU-OAHLLOKOSA-N 366.421 2.919 0 50 FFAA Cc1cc(C)n(CCCNc2nccc(-c3cc(C(=O)O)ccn3)n2)n1 72433303 NSZVCOSPOWZJSK-UHFFFAOYSA-N 352.398 2.552 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)[C@H](CCO)C1 39394379 FJRHLBMJZMWFHT-GOSISDBHSA-N 350.551 2.996 0 50 FFAA C[C@@H](OCC1CC1)C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328626804 FKJPNYZDDQKGMK-NVXWUHKLSA-N 360.502 2.756 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)c2ccc(C)s2)CC1 328629423 IETKDFKBXMIVGZ-KRWDZBQOSA-N 372.494 2.890 0 50 FFAA CN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O 71769360 IVTCMCHDGNMLML-NRFANRHFSA-N 364.489 2.783 0 50 FFAA Cc1ccccc1C1(C(=O)N2CCC[C@H](n3cc(C(=O)O)cn3)C2)CC1 153162926 XGPCPNAHMXSYJA-INIZCTEOSA-N 353.422 2.785 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCC2)N1CCC2(C1)Oc1ccccc1O2 329351509 XEMBMSVOGRCREL-UHFFFAOYSA-N 357.431 2.737 0 50 FFAA NC(=O)c1csc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)n1 72163219 BRDQHCNQFUJHRM-UHFFFAOYSA-N 350.407 2.792 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCN(Cc2cccnc2)C1 219734176 FGTUFBIDYJTXRO-KRWDZBQOSA-N 363.465 2.671 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CCN1CCCOC1=O 72151512 BEWXWMVXYOHVQM-AWEZNQCLSA-N 357.410 2.800 0 50 FFAA CNC(=O)CC1CCN(Cc2ccc(OC)c(CN3CCCC3)c2)CC1 216483200 AQXDPFHLXKFIAY-UHFFFAOYSA-N 359.514 2.639 0 50 FFAA O=C(Nc1csc(-c2ccncc2)n1)C1CCN(c2cnccn2)CC1 370392269 XMZRWFNEBXMKTP-UHFFFAOYSA-N 366.450 2.850 0 50 FFAA CC(=O)NCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 14950941 QKASWASQIWDROH-QFIPXVFZSA-N 371.525 2.761 0 50 FFAA COc1cc(CNc2cn(Cc3ccccc3)nn2)cc(OC)c1OC 239367156 AHVBFKYSYSGJKR-UHFFFAOYSA-N 354.410 2.964 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc(-n2ccnc2)cc1 77357648 YBYZWJKFYANUTJ-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cn3nccc3nc1C)C2 333736523 LTPRANVFQVKRKB-UHFFFAOYSA-N 366.421 2.860 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCCC[C@H]1CCN1CCOCC1 77453312 QUKPGPKIVUIUAT-HNNXBMFYSA-N 354.926 2.713 0 50 FFAA O=C(O)COc1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c1 262850789 WWLUVJMSSZXYFW-AEFFLSMTSA-N 355.390 2.800 0 50 FFAA O=C(O)COc1ccccc1CN1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72128342 JBLADDLPNJHTPW-NRFANRHFSA-N 366.417 2.636 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2F)C1 42199179 BSOLDPUTXCMYFD-JTQLQIEISA-N 372.238 2.920 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cccc(N(C)C)c3)CC2=O)cc1 82096917 TVZPGKANERVIOA-MRXNPFEDSA-N 351.450 2.939 0 50 FFAA Cn1cccc1[C@@H]1CCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 175207651 HSMKNVMPQZHJFJ-FPOVZHCZSA-N 367.493 2.980 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCC(c2nccn2CC2CC2)CC1 82115824 JFWKTDJEHOIPKT-LJQANCHMSA-N 367.449 2.839 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3scc4c3OCCO4)CC2=O)cc1 82087723 RGZYSZVIOJDONV-ZDUSSCGKSA-N 372.446 2.705 0 50 FFAA CN1CCN(C)[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 221144539 JYNIPWALEKJMPU-GOSISDBHSA-N 363.933 2.904 0 50 FFAA CCc1c(C)nn(CC(=O)NCCCc2nc3cc(F)ccc3[nH]2)c1C 222916398 MYJKYNDJWXFISX-UHFFFAOYSA-N 357.433 2.827 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@H](c3nccn3C)C1)cn2C 82108564 ALDYVUDPSGSMPX-HNNXBMFYSA-N 364.449 2.600 0 50 FFAA CC(=O)N1CCCn2nc(CNc3nnc(-c4ccccc4)s3)cc2C1 82127449 LKGMOZJJYRUUDZ-UHFFFAOYSA-N 368.466 2.766 0 50 FFAA CNC(=O)C1(NC(=O)c2cccc(-c3ccc(C)nn3)c2)CCCCC1 426574788 RYBVXGLJQVVXKK-UHFFFAOYSA-N 352.438 2.631 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3s1)C2 221284176 UWVFSLPVCBIPPP-CYBMUJFWSA-N 370.478 2.911 0 50 FFAA CCc1c(C)cc(C(=O)N(C)Cc2cc(-c3cccnc3)no2)c(=O)n1C 91987646 UPFBDUOAHZQBOE-UHFFFAOYSA-N 366.421 2.578 0 50 FFAA CCCOC[C@H]1CCN(C(=O)Nc2ccccc2CN2CCOCC2)C1 96161559 VYYPNZYJXRRQPY-KRWDZBQOSA-N 361.486 2.799 0 50 FFAA OCCn1ccc([C@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)n1 426372539 YGZPKQBZSMMCCN-FQEVSTJZSA-N 368.525 2.719 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)on1 95380564 LLXBRIBNGVQUJO-MAUKXSAKSA-N 351.450 2.687 0 50 FFAA Cc1nc(O)cc(C2CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)n1 426618394 TWLYHOACTDTDGK-UHFFFAOYSA-N 366.425 2.789 0 50 FFAA CN1CCN([C@@H]2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1 97610078 OJBNOGNQVGVJCC-QGZVFWFLSA-N 360.502 2.771 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c(N)c2-c2ccccc2)C1 95502691 GBUZHIDRAOPJIB-HNNXBMFYSA-N 364.453 2.895 0 50 FFAA CCCc1cc(-c2nc(CCSC)nn2C2CCN(C)CC2)n(C)n1 95510925 IGXZBHNVYNXUOM-UHFFFAOYSA-N 362.547 2.803 0 50 FFAA O=S(=O)(NC[C@@H]1CCOc2ccccc2C1)c1ccc(-c2ccn[nH]2)o1 97527344 KZGJCEKXILJYKW-CYBMUJFWSA-N 373.434 2.589 0 50 FFAA Cn1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)c(=O)c2ccccc21 95369850 WIYHZEHSPOJXIC-HNNXBMFYSA-N 362.429 2.910 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCCNc2ccncc2C)c1C 96148572 VOSSMWJTDORMDZ-UHFFFAOYSA-N 371.441 2.517 0 50 FFAA O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCC[C@@H](O)CC1 294982215 UFOJMJOJBFVJQB-IAGOWNOFSA-N 352.434 2.566 0 50 FFAA CCc1cccc(CC)c1NC(=O)CCN1CCc2[nH]nc(C(=O)O)c2C1 244673547 HRCLIBRVSZINCU-UHFFFAOYSA-N 370.453 2.620 0 50 FFAA N[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3Br)nc2)C1 299747209 CJDPYMLONAYQRF-GFCCVEGCSA-N 362.227 2.810 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@@H](CCc2ccccc2)C1 183679793 HTPRGLUNJDKUIM-SFHVURJKSA-N 356.470 2.580 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)CN1CCOCC1 534647369 ZUDKIDFICWMLJY-AWEZNQCLSA-N 369.893 2.601 0 50 FFAA O=C(COC[C@H]1CCCO1)NCc1cc(-c2ccccc2Cl)on1 299758165 OJAXIRCGIBJUSO-CYBMUJFWSA-N 350.802 2.807 0 50 FFAA CN1CCN(CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 299794852 LCDGWLADGLTCHO-NRFANRHFSA-N 351.494 2.724 0 50 FFAA C[C@H](NC(=O)Nc1cc(C2CC2)nn1C)c1nc(-c2ccncc2)no1 299755716 DKMGYRKROPTTAM-JTQLQIEISA-N 353.386 2.625 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(N4CCCC4=O)c3)C2)no1 299781643 WJVWJYSUKRVVBX-CQSZACIVSA-N 369.425 2.916 0 50 FFAA O=C(c1ccncc1F)N1CCOC2(CCN(Cc3ccccc3)CC2)C1 826629817 MOASIPDXTLDNDM-UHFFFAOYSA-N 369.440 2.728 0 50 FFAA CN(C)CC(=O)Nc1ccc(C(=O)NCCCc2ccccc2F)cc1 823676223 XGVCQNQPXGYTPR-UHFFFAOYSA-N 357.429 2.688 0 50 FFAA CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 584892906 DNAXYXVFHZDOGA-LJQANCHMSA-N 372.513 2.548 0 50 FFAA COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c2nonc12 952965421 QKAZFURCMGUPFU-QWHCGFSZSA-N 372.425 2.599 0 50 FFAA CCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@@H]1NC(C)=O 1565513093 AZMOXAFDVVTYKC-LPHOPBHVSA-N 356.470 2.822 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@H](N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 170619275 HEZIVPCNDPCGCH-GTQIRTDPSA-N 372.852 2.734 0 50 FFAA Cc1ccc(-c2ocnc2C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 188636274 SZCUAWGFAXFRGL-HNNXBMFYSA-N 357.454 2.567 0 50 FFAA O=S(=O)(Cc1ccn(-c2ccc(F)cc2)n1)C[C@H](O)C1CCCCC1 189972676 ZDYKLZDKICGEQJ-SFHVURJKSA-N 366.458 2.867 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1OCCc2ccccc21 190118295 CPRRVPPZOATPGD-KSZLIROESA-N 355.438 2.553 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ncc(F)cc3F)C2)nc1 192196463 HLKXRECFKDVWRG-GFCCVEGCSA-N 360.364 2.554 0 50 FFAA CO[C@@](C)(C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F 192247662 NUJMFOSMCLPLTQ-ORAYPTAESA-N 360.433 2.533 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCC[C@@H](OCc2ccccn2)C1 1506420795 REXKNIDLFXMPCB-MRXNPFEDSA-N 350.422 2.708 0 50 FFAA CCN(CCNc1nccc(N2CCC[C@H](O)C2)n1)c1cccc(C)c1 1529119211 DELIERWCVPYNOD-SFHVURJKSA-N 355.486 2.685 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(C)nc3O)CC1)OCC2 1704302809 SYBOOLAHOQRATB-UHFFFAOYSA-N 368.433 2.808 0 50 FFAA Cc1ccc2c(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc(C)nc2c1 1704300006 UGBYLVCCFZHUOL-IFMALSPDSA-N 367.493 2.770 0 50 FFAA C[C@@H](SCc1ccc(Cl)cc1)C(=O)N(CCO)Cc1ncc[nH]1 1704312070 YPFNRCLUGHSQPO-GFCCVEGCSA-N 353.875 2.706 0 50 FFAA CCCCS(=O)(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 1704358206 FUBFAJHPKYMXDJ-UHFFFAOYSA-N 353.484 2.689 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)n[nH]2)c1 11753548 ZBCCSZVTQHJYLX-CYBMUJFWSA-N 359.426 2.685 0 50 FFAA O=C(c1cccc2ccccc12)[C@@H]1CCCN(C(=O)CCn2cncn2)C1 11838503 PMCJPWKCXXYAAH-QGZVFWFLSA-N 362.433 2.943 0 50 FFAA COc1ccc(/C=C/CN2CCC3(CC[C@H](CNC(C)=O)O3)CC2)cc1 11981067 JGHAKYCNUPFBML-WUUFJKRQSA-N 358.482 2.858 0 50 FFAA COc1cccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 12470997 PBEUKXCRPISNIX-GOSISDBHSA-N 371.525 2.650 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CCOC3)CC2)c1 14964617 KUAMNTSTLHJRSM-INIZCTEOSA-N 360.454 2.689 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19536403 OJVZZAXEGOZGEY-UHFFFAOYSA-N 367.449 2.692 0 50 FFAA O=C(c1ccco1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 19885264 ULMISUXTTABAMO-UHFFFAOYSA-N 353.466 2.702 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)nc2ccccn12 1857667148 ASGMUIMGQZGKQU-QGZVFWFLSA-N 350.422 2.859 0 50 FFAA CCOCCn1nc(C)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857671395 WAFWDDFDHZCBNW-UHFFFAOYSA-N 370.457 2.852 0 50 FFAA O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857697783 MNZWPIPEINLILF-AWEZNQCLSA-N 351.431 2.966 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccc3ncnn3c2)C[C@@H](c2ccccc2)O1 1857717822 ZYNQBXWISKWTHA-MSOLQXFVSA-N 350.422 2.968 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cc3ccccc3OC)C[C@H]12 1857727655 WZEWLTVTJSHUJV-VERUCKTNSA-N 357.450 2.698 0 50 FFAA COc1c(C(=O)O)cc(-c2cc(-c3nc(C)no3)ccn2)c(OC)c1OC 1875250348 QKWQTEFDERNKAM-UHFFFAOYSA-N 371.349 2.831 0 50 FFAA COc1ccc(Cl)cc1CN1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 119760717 JECDJKKQHPWRQG-UHFFFAOYSA-N 374.872 2.518 0 50 FFAA C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(N2CCCCC2=O)CC1 120502870 YYJROXMXOCRQET-ZDUSSCGKSA-N 365.424 2.769 0 50 FFAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 237326200 GBWDKMGWVWEUID-PWSUYJOCSA-N 351.299 2.882 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](CNC(=O)Cc3ccc(C)nc3)C2)c1 157529232 XPCYDHXMIFVATR-QGZVFWFLSA-N 369.465 2.592 0 50 FFAA Cc1cccc(CNC(=O)CN2CC[C@@H](OCc3c(C)noc3C)C2)c1 375178436 UANZBKVTNQSCDZ-GOSISDBHSA-N 357.454 2.507 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 263700813 SDCJOZHRDZBMIR-FQEVSTJZSA-N 362.433 2.853 0 50 FFAA Cc1cnccc1CCNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 164003079 BGACBZZUKAAAKK-LJQANCHMSA-N 366.465 2.770 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@@H]1CCN(c2ccccc2F)C1 886054782 QPGKUXXSASFQHN-CQSZACIVSA-N 351.385 2.871 0 50 FFAA COC(=O)CCc1cc2c(nc1C)N(C(=O)N(C)CCC(F)F)CCC2 2325807141 DMSDFILZOBPDBD-UHFFFAOYSA-N 369.412 2.955 0 50 FFAA Cc1cccc(CN(C)C2CCN(C(=O)c3nnn4ccccc34)CC2)c1 2325822165 GUHBIWOTLQMARV-UHFFFAOYSA-N 363.465 2.774 0 50 FFAA Cc1ccc(NC(=O)c2ccc3ccncc3n2)cc1NC(=O)CN(C)C 2325856625 XGOQFSIKONYMJX-UHFFFAOYSA-N 363.421 2.691 0 50 FFAA Cc1cc(Br)c2c(c1)[C@@](O)(CC(=O)c1ccco1)C(=O)N2C 1124683 CMJXUHAQRTVINW-INIZCTEOSA-N 364.195 2.788 0 50 FFAA O=CN[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 1153813 FLESPZPQUWENFZ-QMMMGPOBSA-N 351.038 2.556 0 50 FFAA Cc1cccc(OCC(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 1159465 WGVYJLKVHMANRD-UHFFFAOYSA-N 358.419 2.894 0 50 FFAA CCOCCN1C(=O)[C@@]2(CCN(C3CCSCC3)C2)c2ccccc21 2356147124 IYAHXABCSORYPX-HXUWFJFHSA-N 360.523 2.909 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356162055 VQUKHZMPFZUMBP-IBGZPJMESA-N 362.495 2.612 0 50 FFAA O=C(NCCCn1ccnn1)c1ccc(-c2nccc3ncccc23)cc1 2356168470 FEQLNGIZHBOPOU-UHFFFAOYSA-N 358.405 2.708 0 50 FFAA CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 2905974 HDJODZBDQYXIHA-INIZCTEOSA-N 360.479 2.792 0 50 FFAA CN(c1ccc(C(=O)Nc2nncs2)cc1)S(=O)(=O)c1ccccc1 4952984 PUNUHIZRPOCXKZ-UHFFFAOYSA-N 374.447 2.616 0 50 FFAA O=C(CN1CCN(c2ccccn2)CC1)Nc1ccccc1C(F)(F)F 6727166 KCWFRYFYEVVIAK-UHFFFAOYSA-N 364.371 2.861 0 50 FFAA CCC(CC)n1c(=O)n(Cc2cncn2CC)c2cc(C(=O)O)cnc21 55252661 ZCKSIOBTPHOODL-UHFFFAOYSA-N 357.414 2.522 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)c1cccc(-c2ccc(O)cc2)c1 55414608 LXMJSSFUYJGXTN-IBGZPJMESA-N 354.450 2.636 0 50 FFAA Cc1nn(C)c(C)c1CCN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)N2C1=O 349094841 OCNASNAHFGGCQY-ROUUACIJSA-N 352.438 2.747 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c(Cl)c1 65362756 DKMJLLFQGIGHAR-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1 12430630 WZJUHUKATXTTRX-GOSISDBHSA-N 359.466 2.970 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1cccs1 230093885 YQDZOADGLXLIGF-MSOLQXFVSA-N 371.506 2.831 0 50 FFAA Cn1c(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)nc2ccccc21 171594699 MJOOIDSFDMEDFK-MRXNPFEDSA-N 355.486 2.733 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414250 JOESMOONTSNGKT-BEFAXECRSA-N 368.481 2.601 0 50 FFAA Cc1c(CN2CCC(N3CCCCC3)CC2)c(=O)n(-c2ccccc2)n1C 756631 YRSAQJCZTRWWTA-UHFFFAOYSA-N 368.525 2.935 0 50 FFAA Cc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 11663348 VFSQPNZLVPJXLS-FQEVSTJZSA-N 370.428 2.512 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccc(CO)o3)C2)CCC1=O 77392019 YUILDHBRPJUXQD-HXUWFJFHSA-N 362.470 2.663 0 50 FFAA CCN1CC2(CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)OC1=O 77439724 AGTLFFICEPWQCA-UHFFFAOYSA-N 354.406 2.809 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 241338664 MCVRAEQMDXNHGT-SFTDATJTSA-N 365.477 2.769 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)Nc1cnn(CC(F)(F)F)c1)C2 151951704 VLJMTIAXBJGWBR-NSHDSACASA-N 370.331 2.579 0 50 FFAA CC(C)Nc1cc(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)ncn1 72412028 NVPUOXBLVKQTCM-QGZVFWFLSA-N 373.476 2.509 0 50 FFAA O=C(c1cccc2ccnn12)N1CCN(c2nc3ccccc3s2)CC1 72428923 YEXNMVLMKHHWIS-UHFFFAOYSA-N 363.446 2.906 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 127964155 MSUDVXVOVFTXSY-INIZCTEOSA-N 351.410 2.983 0 50 FFAA COc1ccc(CN2CCN(c3noc(C(C)C)n3)C[C@@H]2CCO)cc1C 72431319 FSXNOBGKVFEPPW-KRWDZBQOSA-N 374.485 2.583 0 50 FFAA Cc1cccc(NC[C@H]2CCN(Cc3cnc4c(c3)c(C)nn4C)C2)n1 237865420 DDSCGJLSSAIVFK-MRXNPFEDSA-N 350.470 2.914 0 50 FFAA CC(C)(C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccccc1 72131950 WPTOKBAQSKBNPQ-UXHICEINSA-N 364.489 2.817 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)NCCc3csc(N)n3)n2)c1 219197999 CDYRRQDOEDOLQF-UHFFFAOYSA-N 371.466 2.765 0 50 FFAA COC(=O)c1cc(-c2cccc(OC)c2)nc2c(Br)cnn12 13645270 SBWJXMRCULUKQL-UHFFFAOYSA-N 362.183 2.954 0 50 FFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cn(Cc3cccc(F)c3)nn2)no1 378095848 CLIGFCYPFFYGAA-INIZCTEOSA-N 370.388 2.524 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCN(c2nc3ccccc3o2)CC1 77540227 KXHMPICFXOQHOO-UHFFFAOYSA-N 373.416 2.976 0 50 FFAA Cc1nc([C@@H]2COCCN2C(=O)Nc2ccccc2N2CCCCC2)no1 378534616 OZSXZIHNFZVSSR-KRWDZBQOSA-N 371.441 2.974 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC(n2ccnc2)CC1 174827696 NIYULIQCZVFWLR-UHFFFAOYSA-N 350.426 2.997 0 50 FFAA Nc1nc(C2CC(N)C2)cc(N2CCC(Oc3ccccc3Cl)CC2)n1 222904018 JUIYIMCGVCCTKI-UHFFFAOYSA-N 373.888 2.965 0 50 FFAA C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C[C@@H]1N1CCOCC1 175639153 TVTCJDXIKNRIQC-KPFFTGBYSA-N 369.465 2.731 0 50 FFAA CCCn1c(S)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17075326 UEZPHJYTLUOZFO-ZDUSSCGKSA-N 366.512 2.545 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC(c4n[nH]c(C)n4)CC3)cc2)nn1 426408891 FFBJDGRAJGINGJ-UHFFFAOYSA-N 362.437 2.898 0 50 FFAA Cc1ccc(OCCNC(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1C 426544654 FOGUIFSLXPFQRG-UHFFFAOYSA-N 373.497 2.726 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426510873 QSCPHTAWECFODB-SQUITACLSA-N 367.497 2.702 0 50 FFAA COc1cccc(N2C[C@H](C)N(C(=O)NCc3cccs3)CC2=O)c1 426359370 BMYCSJRYKLUXAO-ZDUSSCGKSA-N 359.451 2.704 0 50 FFAA COc1ccc(-c2ccc(C(=O)N[C@H](C)CCn3cccn3)cc2)nn1 426502981 MUVCEDKNMNDAGX-CQSZACIVSA-N 351.410 2.557 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)[C@H]1COc2ccccc2C1 97797386 RGDNQFZXTMQXRZ-CYBMUJFWSA-N 355.419 2.589 0 50 FFAA Cc1nc(CCC(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)n[nH]1 92065627 ZGHYBFOQJGKYJH-UHFFFAOYSA-N 352.442 2.637 0 50 FFAA COC(=O)c1coc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)n1 95520905 JRUSOOYJWDKZCG-QGZVFWFLSA-N 369.465 2.915 0 50 FFAA CCCN1CCC(CNC(=O)N2CCC(Oc3ccncc3)CC2)CC1 426677861 FEPWQWYKKRXGNV-UHFFFAOYSA-N 360.502 2.756 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@H]1CC(=O)OC12CCCC2 97759233 VRVTWSYIEJWCNY-CYBMUJFWSA-N 359.451 2.973 0 50 FFAA CNc1cc(C)nc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95355423 FTHHNTGCKAVJES-AWEZNQCLSA-N 369.498 2.912 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)cc1 91594909 WKJKKDNIWQWENQ-KRWDZBQOSA-N 372.490 2.673 0 50 FFAA Cc1ccccc1Cn1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 239030617 CDDMGOFJLGDXKI-LBTBCDHLSA-N 351.406 2.701 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)Nc1ccc(-n2ccnc2)cc1)C1CC1 95504139 IGZVNXIIQSRGCK-INIZCTEOSA-N 351.414 2.757 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc3c(c2)OCCO3)nc2c1CCCC2 95505903 NRXXYMRVUPUGNR-UHFFFAOYSA-N 354.410 2.757 0 50 FFAA O=C(Cc1c(F)cccc1Cl)NC[C@@H]1CCCN(c2ncccn2)C1 94104061 FTHQJQGNSAWGIE-ZDUSSCGKSA-N 362.836 2.844 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(c1nnc(C(C)C)s1)CC2 91849223 WCIGAEDIKZZJSD-UHFFFAOYSA-N 366.531 2.907 0 50 FFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)c1 95530109 CXTUPGXHWQBSEZ-MRXNPFEDSA-N 369.465 2.972 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)C2)c1 95360520 PRYQBBGMZCOJQD-CQSZACIVSA-N 369.465 2.946 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)c2ccnnc2)C1)c1cccc2ccccc12 95519356 WQZQLUWIDIUIHD-MRXNPFEDSA-N 374.444 2.912 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)c2cncnc2C)CC1 97632073 RRSFCZLUDHDOKI-UHFFFAOYSA-N 374.872 2.584 0 50 FFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(-c4ccc(C)s4)n[nH]3)C2)ncn1 244719259 LZXMDQDZLZTEFY-TXEJJXNPSA-N 368.466 2.954 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3ccsc3C(=O)O)C2)n1 244673970 HZBFEJLPTJQLFV-CYBMUJFWSA-N 362.455 2.535 0 50 FFAA Cc1cccc([C@@H]2CCCN(CCC(=O)N3CCC(C(=O)O)CC3)C2)c1 244678784 IKANZICUUSSYRZ-LJQANCHMSA-N 358.482 2.888 0 50 FFAA CC(C)c1noc(C2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 252504175 VHWIPJFQPUHUSP-UHFFFAOYSA-N 359.455 2.642 0 50 FFAA COc1ccc(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1-c1ccccc1 299753081 WSXAADKVFXLYMJ-MRXNPFEDSA-N 355.390 2.678 0 50 FFAA Cc1oc(CNC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C(=O)O 299747420 CYGLMFUZZPSQMN-ZDUSSCGKSA-N 359.378 2.774 0 50 FFAA CCc1nc(CN(C)C(=O)NCCc2csc(-c3ccncc3)n2)no1 534660160 KVBMECQTAPHEFQ-UHFFFAOYSA-N 372.454 2.535 0 50 FFAA CN(Cc1n[nH]c2c1CCC2)C(=O)NCc1c[nH]nc1-c1cccs1 534588842 SNLAJDIEPIYSLF-UHFFFAOYSA-N 356.455 2.692 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2CCc3c(c(C(=O)O)nn3C)C2)c1 299762766 APUWAGHNYXBJKB-UHFFFAOYSA-N 373.478 2.553 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1c(-c3ccccc3)noc1C)CC2 299786644 XMVJTWSTURGTTM-TWOQFEAHSA-N 356.422 2.795 0 50 FFAA CN1CCCCC[C@H]1c1nc(-c2cccc3c2ccn3C)nn1CCO 828776696 KFWYYGMQZRQUQN-SFHVURJKSA-N 353.470 2.976 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)NCc2cc3ccccc3o2)C1 584897318 SMRURNNFWPAQNI-HNNXBMFYSA-N 366.421 2.971 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cc(-c2ccccc2)on1 1565526817 IAJBVZBGLXRLKB-IRXDYDNUSA-N 365.389 2.703 0 50 FFAA COc1ccc(OCC2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1 1506406378 HMQKUKHBLBYIKO-UHFFFAOYSA-N 368.499 2.517 0 50 FFAA CCCn1cc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c(C)n1 219706331 BSPWLYCFUGREKJ-MSOLQXFVSA-N 355.438 2.850 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@H]2CCCOC2)CC1 1704306487 VEZTXQXMPAIBJU-MRXNPFEDSA-N 359.466 2.902 0 50 FFAA O=C(c1ccnc(N[C@@H]2CCCN(Cc3cccnc3)C2)c1)N1CCCC1 1704280016 IBIBIMQPNSZGMX-LJQANCHMSA-N 365.481 2.789 0 50 FFAA CC1=CC2(CCN(C(=O)CCn3c(CO)nc4ccccc43)CC2)OCC1 1704297435 RUBLMWPMRRRQJB-UHFFFAOYSA-N 369.465 2.647 0 50 FFAA O=C(CCCCc1ccccc1)N1CCCN(C(=O)c2cnccn2)CC1 1772702058 DGKHAEPQGLJFBD-UHFFFAOYSA-N 366.465 2.564 0 50 FFAA COc1cccc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 5120230 WTMCHQGGHTYIGM-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA COc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC1CCCCC1 12274366 YIDFJSFGRGSLBW-GFCCVEGCSA-N 361.471 2.600 0 50 FFAA CCn1cc(CNC(=O)CCc2nnc(CCCc3ccccc3)o2)cn1 12315222 BOUWTZGPRRRHMP-UHFFFAOYSA-N 367.453 2.710 0 50 FFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 12431579 ACJSLWBRKYWBIB-CFGKVWFZSA-N 352.482 2.599 0 50 FFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnsn1 12439612 YPODPTQGVUMUAS-AWEZNQCLSA-N 362.474 2.704 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCC2)CN1CCc1c[nH]c2ccc(Cl)cc12 12862579 LFNDIWQMTNVDFY-CQSZACIVSA-N 359.857 2.835 0 50 FFAA O=C(CCC1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1)NCc1cccnc1 15068741 MFVXJYLDBRCFPO-HOJAQTOUSA-N 367.493 2.929 0 50 FFAA CCc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 19770938 ZMOIOTBGXATBTB-NRFANRHFSA-N 354.494 2.807 0 50 FFAA CN1CCc2cc3c(cc2[C@@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 19899010 IYGYMKDQCDOMRE-QZTJIDSGSA-N 367.357 2.585 0 50 FFAA biogenic,in-vitro COCCCNC(=O)C[C@@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857673633 QDXHFRFQIBEEJM-AWEZNQCLSA-N 361.442 2.596 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1CC[C@H](O)[C@](CC2CC2)(C(=O)O)C1 1875248074 YEZHVTFIEGICMO-WMLDXEAASA-N 371.355 2.783 0 50 FFAA C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC2(CCCC2)c2c(F)cccc21 408032593 ZFSIEMYUARQTLL-HUUCEWRRSA-N 373.472 2.570 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cn2cccn2)cc1 237983838 LGLFETURCKJNKR-BZSNNMDCSA-N 353.422 2.789 0 50 FFAA O=C(Nc1ccc(OCCc2ccccc2)nc1)N1CCC[C@H](CO)C1 151712161 OPRSFNSJJCGMDZ-KRWDZBQOSA-N 355.438 2.939 0 50 FFAA Cc1ccc(C2=NO[C@@H](CNC(=O)N3CC[C@@H](N4CCCC4)C3)C2)cc1C 802379170 IAASLZMPESGOEU-RTBURBONSA-N 370.497 2.676 0 50 FFAA CCc1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)s1 1704312076 YSMSWFTUUFGASX-FXAWDEMLSA-N 373.474 2.831 0 50 FFAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)C[C@H]3CCc4ccccc43)C2)cn1 868455829 MKNBZBLTZLLETJ-BRWVUGGUSA-N 367.449 2.557 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ncccc3C(F)(F)F)C2)o1 952891182 XKWBYFPYBNQLIL-MNOVXSKESA-N 354.332 2.933 0 50 FFAA Cn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3cc4occc4s3)CC1)O2 1875289172 WCEHVUJKASXASY-NSHDSACASA-N 373.434 2.719 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@@H]1CN(c3ncccn3)C[C@@H]21 1875330302 WOWVPCIQMJKRHU-SPUZQDLCSA-N 352.413 2.603 0 50 FFAA Cc1cccc2[nH]cc(CCC(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)c12 1875403299 SFGXDDPEZSOYMJ-ATZDWAIDSA-N 366.465 2.561 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H](C)CN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)[nH]1 1875405079 PACARMLHORSWFU-OLZOCXBDSA-N 358.486 2.526 0 50 FFAA CC(=O)N1C[C@H](Nc2nc(O)c3ccccc3n2)CC[C@H]1C(F)(F)F 886038309 WCELGSKXQIWNCU-MFKMUULPSA-N 354.332 2.689 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 1079410 RHIFFCMCOTYCJK-UHFFFAOYSA-N 355.423 2.675 0 50 FFAA O=C(NCC1=CS(=O)(=O)c2ccccc21)c1cc(F)c(O)c(Cl)c1 2325748040 WPJGVDGBUYMOHH-UHFFFAOYSA-N 367.785 2.743 0 50 FFAA CC(C)(C)OC(=O)N1CCn2ncc(-c3cc4c(s3)C(=O)NCC4)c2C1 2325778314 QVHDINIDRSNIPZ-UHFFFAOYSA-N 374.466 2.648 0 50 FFAA Cc1cc(Br)cn2c(CNC[C@H](O)c3ccoc3)cnc12 2325797429 ULXMYSGSWDOGND-AWEZNQCLSA-N 350.216 2.821 0 50 FFAA O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898673 RYZYPQNJVAXKDD-MSOLQXFVSA-N 371.462 2.763 0 50 FFAA COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)OC 605688 KYDNOVLBVBYOSW-UHFFFAOYSA-N 362.334 2.780 0 50 FFAA biogenic,in-vitro Cc1nc2ccc(C(=O)N(C)[C@H]3C[C@H]4CC(=O)N(C)C[C@H]4C3)cc2nc1C 2356141843 RXXROBPSFJAHNV-BBWFWOEESA-N 366.465 2.576 0 50 FFAA Cc1nc2c(C(=O)N(C)Cc3nccn3Cc3ccccc3)ccnc2n1C 2356141969 XYEITXPFPFRFJX-UHFFFAOYSA-N 374.448 2.794 0 50 FFAA O=C(Nc1cccnc1Oc1ccc(F)cc1)c1ccc2nnnn2c1 2356153163 VEERMEKCWDQGCB-UHFFFAOYSA-N 350.313 2.703 0 50 FFAA CCN(CC)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 2958398 QAPHFSFCHGAYHB-UHFFFAOYSA-N 353.271 2.628 0 50 FFAA COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1OC 6746731 NBMNGCIWAIVISR-UHFFFAOYSA-N 357.341 2.823 0 50 FFAA COc1cc(O)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 225564588 VKKCMAZUMTYGOZ-UHFFFAOYSA-N 363.370 2.526 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2nccs2)C[C@H]1CCO 104507799 CJOITCLUZBMUBH-QGZVFWFLSA-N 362.543 2.849 0 50 FFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCN(C)CC1 20818757 MYLUESADSMCWJT-KRWDZBQOSA-N 361.530 2.505 0 50 FFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCOCC3)nc2)C1 67515431 DOTKVXWIUNLNOL-SFHVURJKSA-N 373.497 2.776 0 50 FFAA CCn1nnc2cc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)ccc21 249694921 PVIFMMYUBJPUBJ-IXYNUQLISA-N 372.469 2.937 0 50 FFAA CS(=O)(=O)NCc1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1 252484573 FZNQGOPGXYGNKG-UHFFFAOYSA-N 373.478 2.935 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 252444147 DIWAFFAEVBYNFC-KCQAQPDRSA-N 351.472 2.814 0 50 FFAA CCOc1ccccc1NC(=O)c1nc2n(n1)[C@H](C(F)F)C[C@@H](C)N2 2770524 OTJSAQBFGVUCAE-KOLCDFICSA-N 351.357 2.939 0 50 FFAA CCn1cc(NC(=O)c2ccn(C(F)F)n2)c(C(=O)Nc2ccccc2)n1 2795660 PSAGUJHPLOWTBX-UHFFFAOYSA-N 374.351 2.999 0 50 FFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccc2c(c1)OCO2 2735469 UBDYHHLVQJXWMX-UHFFFAOYSA-N 367.327 2.824 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@@H](CO)C3)c(C)o2)cc2c1OCO2 72427044 HWBFHIZXZFHYGS-CYBMUJFWSA-N 360.410 2.592 0 50 FFAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)CCc3ccccn3)CC2)cn1 328621769 ATUXDFCHEBEJFD-GOSISDBHSA-N 367.497 2.968 0 50 FFAA CCc1nnc(CN2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)o1 77303347 YCEHUXWWURACJO-UHFFFAOYSA-N 370.453 2.662 0 50 FFAA Cc1ccc(-n2cnnc2)c(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 477603957 DEMSZFALFIMFRN-UHFFFAOYSA-N 373.420 2.662 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 151041772 KIXYUAYMXIYZHP-CYBMUJFWSA-N 352.360 2.715 0 50 FFAA CCOc1c(Cl)cc(/C=C/C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1OC 153193151 BFHKYJLIFZBQIF-XKZLPGLHSA-N 352.862 2.969 0 50 FFAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1OCc1ccc(F)cc1 282156788 PXTDYJOSHNFJTC-CXAGYDPISA-N 356.397 2.802 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@H](CO)C2CCSCC2)c1 72469101 BAEXHVBOXHBJOF-QGZVFWFLSA-N 351.512 2.624 0 50 FFAA COc1cccc(C2CCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)c1 172768256 JVXZMDKCIALNBT-UHFFFAOYSA-N 371.481 2.739 0 50 FFAA O=C1NCCN(C(=O)/C=C/c2cccnc2)[C@@H]1c1c(F)cccc1Cl 372071030 BQXOSRKJJKJFHK-DKRLNXSXSA-N 359.788 2.587 0 50 FFAA CCCc1cnc(C)nc1N1CCN(Cc2ccccc2F)[C@H](CCO)C1 72435714 YXJNFJHQEZBJTJ-LJQANCHMSA-N 372.488 2.950 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3ccn(CC)c(=O)c3)C2)CCC1=O 77517717 VLFHNRUMTSNQJT-NRFANRHFSA-N 373.497 2.513 0 50 FFAA CN1CCC(N(C)C[C@H]2CC[C@@H](Cc3ccc4c(cnn4C)c3)O2)CC1 72419662 DCUJIQDXLQNKPN-VQTJNVASSA-N 356.514 2.689 0 50 FFAA COCCc1ncc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1 72171361 ZNICIBVNVKHJSR-UHFFFAOYSA-N 355.417 2.622 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)s1 263075257 AVNJBPFVZOTMFA-CHWSQXEVSA-N 359.403 2.637 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)CCO1 333578572 QZRUNUQIVQUQQW-UKRRQHHQSA-N 357.479 3.554 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2cc(O)c3cccc(F)c3n2)CC1 77439229 CTVTVXZSBMWGLI-UHFFFAOYSA-N 366.396 2.745 0 50 FFAA c1ccc(CN2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)nc1 77321421 YXRNKZRBYNDMTR-UHFFFAOYSA-N 366.513 2.983 0 50 FFAA Cc1nc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)c2c(C)nn(C)c2n1 72430984 QOZQVPDJRBNJKC-INIZCTEOSA-N 366.469 2.762 0 50 FFAA COc1ncccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 77506078 OESUHTNDQVGOKQ-UHFFFAOYSA-N 353.466 2.871 0 50 FFAA CCN1CCO[C@@H](CNC(=O)NCc2c(C)noc2C)[C@@H]1c1ccccc1 286612608 BZJNDJFZQKHODW-OALUTQOASA-N 372.469 2.553 0 50 FFAA CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2COCC[C@@H]2OCCO)cc1 223317362 ABGRFSPXBJVUQT-MOPGFXCFSA-N 363.498 2.589 0 50 FFAA O=C(NCCCN1CCC[C@@H](O)C1)N(Cc1ccccc1)C1CCCC1 426667127 RQHKCPIXSAAZGL-HXUWFJFHSA-N 359.514 2.988 0 50 FFAA O=C1CCCc2ccc(NC(=O)N3CCN(Cc4cccnc4)CC3)cc21 177286664 KOGCBAVRFLSEGB-UHFFFAOYSA-N 364.449 2.950 0 50 FFAA COc1cccc(CC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)c1OC 82135364 UWRGGBKHNIHNAC-IBGZPJMESA-N 368.477 2.761 0 50 FFAA Cc1cccc(N2C[C@H](C)N(C(=O)COc3ccc(F)cc3)CC2=O)c1 82092585 YDRMILGYGCPYDA-HNNXBMFYSA-N 356.397 2.777 0 50 FFAA CCn1ccc(CN2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)n1 426373557 BHKLVEGYZJJZGX-WSTZPKSXSA-N 356.470 2.889 0 50 FFAA CCNc1ncc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 91706542 QGICJWVCGOYMJN-KRWDZBQOSA-N 353.470 2.518 0 50 FFAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)[C@H]1C=CCN1 95497708 HPSYJKRZWFXOBS-OAQYLSRUSA-N 355.526 2.626 0 50 FFAA O=C(c1ccc(-n2cnnc2)nc1)N(Cc1ccsc1)C[C@H]1CCCO1 97402337 JZJOVDFPRBTPBF-MRXNPFEDSA-N 369.450 2.545 0 50 FFAA Cc1ccc(CN2CCCn3nc(CCC(=O)NC4CC4)cc3C2)s1 91593336 UWOSWLOMHZTCBW-UHFFFAOYSA-N 358.511 2.870 0 50 FFAA CC(C)N1CCC(C(=O)NCCc2csc(-c3cccnc3)n2)CC1 95385253 UMXXEPRRNASIQR-UHFFFAOYSA-N 358.511 2.984 0 50 FFAA CCn1cc(CN(CCOC)C(=O)NCc2cc(F)cc(F)c2)cn1 426541744 XCRWEQNTXKTZBS-UHFFFAOYSA-N 352.385 2.539 0 50 FFAA CCn1cc(CN2CCC3(CC2)c2[nH]cnc2CCN3CC=C(C)C)cn1 97732850 VHPFKCNYQVBVLA-UHFFFAOYSA-N 368.529 2.942 0 50 FFAA Cc1cc(N)n(-c2ccc(-c3noc([C@H]4CC(=O)N(C(C)C)C4)n3)cc2)n1 95358199 CNXIKKNXXPRSKE-AWEZNQCLSA-N 366.425 2.537 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(Cc3ccccn3)CC2)CC1=O 95391464 APDLPIKIMRLAKZ-UHFFFAOYSA-N 354.454 2.701 0 50 FFAA COCCC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1 92003407 VPXUMHOSPMZADA-SFHVURJKSA-N 355.862 2.990 0 50 FFAA CN(CCCc1nccn1C)C(=O)c1cnc(Nc2ccccc2)nc1 91664097 DGXDLTREHNNKID-UHFFFAOYSA-N 350.426 2.659 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(Cc3ccccc3F)CC2)n1C 92061722 AATKJKJLRDBXTC-UHFFFAOYSA-N 368.460 2.887 0 50 FFAA O=C1[C@H]2CC[C@H](CN(CCOCc3ccccc3)C2)N1Cc1cscn1 95502309 ZMNWNSIISIJBHT-PKOBYXMFSA-N 371.506 2.783 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cc2ccccc2nc1O 299753758 ZFUMTDNEOZKCTF-COXVUDFISA-N 354.406 2.727 0 50 FFAA O=C(O)CN(C(=O)COc1ccccc1-c1ccccc1)C1CCOCC1 299748677 HVIMZJDCZLPUPT-UHFFFAOYSA-N 369.417 2.825 0 50 FFAA CC(C)Cc1nnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)s1 299061155 VEIMMNDNKDSZBU-GFCCVEGCSA-N 362.455 2.963 0 50 FFAA COCc1nc(O)cc([C@H]2C[C@@H](Nc3nc(C)c4c(n3)CCCC4)C2)n1 253534925 WTSSDDVEPDPZQZ-BETUJISGSA-N 355.442 2.664 0 50 FFAA CCOc1cc(CNC(=O)N2CC(N3CCCC[C@@H]3C)C2)ccc1OC 534660385 LXPWONPXQRURRR-HNNXBMFYSA-N 361.486 2.862 0 50 FFAA CCn1cnc(NC(=O)NC2CCN(Cc3ccccc3Cl)CC2)n1 48148061 DWTMVZZDYZCABO-UHFFFAOYSA-N 362.865 2.738 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2snnc2C(C)C)c1C 299787808 QSBIFGVXRFBGGR-SNVBAGLBSA-N 363.487 2.945 0 50 FFAA CC(C)C1=NO[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1 299787066 RODUOEXEWRCTHX-HNNXBMFYSA-N 358.467 2.746 0 50 FFAA Cc1cccc(Cn2nc(C)cc2NC(=O)NCCc2ccnn2C)c1 299764995 XPAQPXGFKNOMQT-UHFFFAOYSA-N 352.442 2.646 0 50 FFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCSCC3)cs2)n1 299788531 UQQGHMAAVARXIP-UHFFFAOYSA-N 362.402 2.845 0 50 FFAA CCc1nnc(N2CCC[C@H](CNC(=O)c3ccc4c(c3)CCO4)C2)s1 823565221 CHJHCOWNIVODGC-CYBMUJFWSA-N 372.494 2.682 0 50 FFAA O=C(NCc1ccc2nc[nH]c2c1)N(Cc1ccccn1)C[C@@H]1CCCO1 584903577 ASFRYXLQIKANBD-KRWDZBQOSA-N 365.437 2.849 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H](C)N2CCN(C)CC2)c1 820636805 XZQLMAMYHURCQV-MRXNPFEDSA-N 372.513 2.698 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1COc2ccccc2O1 952872875 QSZXOODJDNKNEB-GOSISDBHSA-N 351.362 2.535 0 50 FFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H](c1ccccc1F)N(C)C 952973567 LPWDHDHPXUWCNN-LJQANCHMSA-N 372.444 2.567 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565529218 VKDRNAKAJBFHJP-WBVHZDCISA-N 355.482 2.616 0 50 FFAA O=C(C(F)(F)F)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169807288 LQQZKOCPXUISGK-UHFFFAOYSA-N 356.419 2.827 0 50 FFAA in-vitro O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCS[C@@H]2CCCC[C@@H]21 170656848 PMTQRYJXNAMOOZ-UONOGXRCSA-N 361.492 2.712 0 50 FFAA CC(C)Sc1nnc(NC(=O)c2cc(C(C)C)n3ncnc3n2)s1 1506396035 FBWBUHFVVWKXSF-UHFFFAOYSA-N 363.472 2.852 0 50 FFAA CC(C)c1cc(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)nc(N)n1 1506402837 KQXLMXRSFQIETB-CYBMUJFWSA-N 357.433 2.578 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704315744 VDHXHQAXPFSUQA-FOIQADDNSA-N 362.433 2.511 0 50 FFAA CNC(=O)CC[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1704307606 BZWOCGMNUOLMCM-ZDUSSCGKSA-N 357.410 2.782 0 50 FFAA O=C(CN1CCC(Cc2ccc(O)nc2)CC1)N1CCc2ccccc21 1772808239 JZGCHXRSTPNHQC-UHFFFAOYSA-N 351.450 2.631 0 50 FFAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCC(C)CC3)nn2)ccc1C 16651137 TWVMFRNGNNHMSF-UHFFFAOYSA-N 374.510 2.987 0 50 FFAA c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)ncnc32)cc1 19118713 UOVQZTBUSPOQCX-UHFFFAOYSA-N 357.421 2.537 0 50 FFAA CC(C)NC(=O)c1ccc([C@@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)s1 19782050 QBNBIGQQZABWJA-PPYMECGQSA-N 372.494 2.997 0 50 FFAA O=C(Cc1cccc(F)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772248 AMDFGQTYBVIKKW-UHFFFAOYSA-N 368.334 2.526 0 50 FFAA Cc1nc(C(=O)N2CCCCC2(C)C)nc(N2CC[C@@H](N(C)C)C2)c1C 1857528471 JYMDFWTZINXUBC-MRXNPFEDSA-N 359.518 2.638 0 50 FFAA CC[C@]12COC(=O)N1CCN(C1CCN(CCc3ccccc3)CC1)C2 1857672891 LKKXTJZPBZZMQJ-NRFANRHFSA-N 357.498 2.610 0 50 FFAA Clc1ccc([C@H]2CN3C[C@@H](N=c4nc(C5CC5)o[nH]4)C[C@H]3CO2)cc1 1857685661 OHWWIIBTYMWION-HRCADAONSA-N 360.845 2.649 0 50 FFAA CCCNC(=O)N1CCC[C@@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857693254 OLPSFYAIGHBNCX-HXUWFJFHSA-N 367.453 2.644 0 50 FFAA COCCn1cncc1CN1CCc2nn(C)c(-c3ccccc3)c2CC1 1857695489 LOVMFQNVTBVQOT-UHFFFAOYSA-N 365.481 2.531 0 50 FFAA Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)NCCO3)cc1Cl 1857705020 OTBGOWXSPLTRNF-UHFFFAOYSA-N 351.834 2.551 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2cccc(-n3cnnc3)n2)C[C@H](C(C)C)O1 1857713603 RXQOBUFGEQVIHS-NVXWUHKLSA-N 357.458 2.718 0 50 FFAA CCn1cc(C2CCN(C(=O)[C@@H]3Cc4ccccc4N3C(C)=O)CC2)cn1 123786326 FYHKWNYFJPEQGI-FQEVSTJZSA-N 366.465 2.587 0 50 FFAA CCc1cc(N[C@H]2CCCN(c3ccc(C)cc3)C2=O)n2ncnc2n1 742419832 PJSFXADZUMSWIW-INIZCTEOSA-N 350.426 2.603 0 50 FFAA CCCc1cc(N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)nc(C)n1 247944846 HQVNAKXAAWGZPC-JXFKEZNVSA-N 353.422 2.805 0 50 FFAA C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO 151106885 WRRBRTDCHAQNHP-YWPYICTPSA-N 356.260 2.884 0 50 FFAA CN1CCO[C@@H]2CN(C(=O)c3cc(Cl)ccc3OC3CCCC3)C[C@@H]21 153143348 DCAZZIYYAIMYTH-FUHWJXTLSA-N 364.873 2.816 0 50 FFAA CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)O 262108672 KBAOKZVIVIACIS-VIFPVBQESA-N 359.753 2.890 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3cc(C(C)(C)C)on3)CC2)c(C)o1 266009742 HSXRXBLBYHHTIF-UHFFFAOYSA-N 359.426 2.780 0 50 FFAA Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 266787734 BXAXPGPNODWRGL-LJQANCHMSA-N 354.498 2.702 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3cc4c(cc3Cl)OCO4)C1)CC2 1704341527 WCSIPFCSLUGFBX-LJQANCHMSA-N 372.856 2.921 0 50 FFAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1cc(Cl)cc(Cl)c1F 952887609 BFODLPINAGRZMR-MADCSZMMSA-N 359.188 2.758 0 50 FFAA O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)C[C@H](O)Cc1ccccc1 1875270946 QHPDRMBKBYIUSY-RBUKOAKNSA-N 355.434 2.572 0 50 FFAA O=C([C@@H]1CC[C@](O)(c2ccccc2)C1)N1CCC(c2cc(O)no2)CC1 1875296216 KJUCAUBTDCTRAA-FOIQADDNSA-N 356.422 2.774 0 50 FFAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 2325778042 YTOWCYYRNJMCME-IYOUNJFTSA-N 369.421 2.856 0 50 FFAA CN1CC[C@@H](NC(=O)c2sc(C(F)(F)F)nc2-c2ccccc2)C1=O 2325784764 IBYHJLHIKCCHKR-SNVBAGLBSA-N 369.368 2.789 0 50 FFAA C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1n[nH]c2c1CN(C)CC2 2325810865 KXNVOJWZWQBUSA-NSHDSACASA-N 355.467 2.841 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)cc1 57291719 FTRBBFQWGUADCA-UHFFFAOYSA-N 354.406 2.728 0 50 FFAA Cn1c(S)nnc1CNC(=O)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 225444766 SHFSUBRLNLRVML-YZVOILCLSA-N 356.495 2.769 0 50 FFAA COc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(OC)c1 54530174 YCIZBQZLHNKXNO-UHFFFAOYSA-N 373.428 2.604 0 50 FFAA CCc1cc(N[C@@H](C)c2cn3ccsc3n2)nc(N2CCOCC2)n1 65506273 VAAUMGXNSYACNQ-LBPRGKRZSA-N 358.471 2.758 0 50 FFAA O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1 55155478 RLRHVGNXTXBUAZ-UHFFFAOYSA-N 367.453 2.658 0 50 FFAA aggregator CC(C)C[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC[C@@]1(C)O 67676169 OYNDRVQSABKRAR-YCRPNKLZSA-N 371.481 2.501 0 50 FFAA COCc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)o1 20600979 NOXMDEUICQNBDO-HNNXBMFYSA-N 350.484 2.556 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N2CCC(C(C)(C)O)CC2)n[nH]1 67727477 QBSYWHBYMSDSAL-UHFFFAOYSA-N 373.453 2.620 0 50 FFAA Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(-n4cnnc4)c3)n2)c1 65373559 DADLDJJHWAHROW-UHFFFAOYSA-N 374.404 2.898 0 50 FFAA Cc1cc(=O)oc2cc(CN3CCN(c4noc(C(C)C)n4)CC3)ccc12 67674252 NEUDCYCMRFKIRC-UHFFFAOYSA-N 368.437 2.930 0 50 FFAA Cc1nnc(SCCCNC(=O)[C@H]2Cc3ccccc3CN2C)s1 65423508 KIXLPMYAWGDZBU-OAHLLOKOSA-N 362.524 2.502 0 50 FFAA Cc1nc(=O)cc(C2CCN(Cc3sc(N(C)C)nc3Cl)CC2)[nH]1 216441528 QKPQPPWUPIMPKG-UHFFFAOYSA-N 367.906 2.634 0 50 FFAA CNC(=O)COc1cccc(CC(=O)N2CCC[C@@H]2c2ccsc2)c1 119388399 BLESTATZOSENHX-QGZVFWFLSA-N 358.463 2.779 0 50 FFAA O=C(CCC1CC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72147063 FXHRPWMUMVHPLD-MTNREXPMSA-N 368.477 2.994 0 50 FFAA O=C(COc1ccc(CN2CCCn3cncc3C2)cc1)N1CCCCC1 72166619 RSIIRWCYTHAFBN-UHFFFAOYSA-N 368.481 2.680 0 50 FFAA Cc1ccc(/C=C/S(=O)(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)cc1 328627575 MYBUJLQRRYGRSG-HDCIMXRVSA-N 361.467 2.539 0 50 FFAA O=C(CCCn1cncn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12597010 CGSPVQTUOVYUQV-NRFANRHFSA-N 373.545 2.953 0 50 FFAA CN1CCC(Cc2noc(-c3cn(CCCc4ccccc4)nn3)n2)CC1 72151336 JGFBONKNWGIIKC-UHFFFAOYSA-N 366.469 2.845 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC2(c3ncon3)CCOCC2)o1 364080063 CWPAPSYGDVIGJI-RFGFWPKPSA-N 357.410 2.712 0 50 FFAA c1cn2c(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)cnc2cn1 365171201 PJBWHBLTOJHYIN-INIZCTEOSA-N 368.441 2.734 0 50 FFAA O=C(NCc1ccc(O)c(Br)c1)NC[C@@H](O)c1ccsc1 126256753 YZAKDXXQDUQVFP-CYBMUJFWSA-N 371.256 2.749 0 50 FFAA Cc1nc([C@H]2CCCN(CC(=O)N3CCCCC3)C2)cc(N2CCCC2)n1 72407904 RBXGEQSYGPJMIK-SFHVURJKSA-N 371.529 2.577 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 220316943 SFKNAPUYQUHTHN-SECBINFHSA-N 358.225 2.985 0 50 FFAA O=C(Cn1cnc2ccccc21)NCc1noc(-c2c(F)cccc2F)n1 222411557 PGUNJUUHGOXOMP-UHFFFAOYSA-N 369.331 2.681 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)ccc1Cl 426677874 WSAHQWLLACRHBN-AWEZNQCLSA-N 361.829 2.949 0 50 FFAA COCC1(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)CC1 426414225 CVVWTMKNICBDKX-FQEVSTJZSA-N 374.456 2.593 0 50 FFAA CN(C)[C@@H](C(=O)NCC1(N2CCCC2)CCCC1)c1ccc2c(c1)OCO2 426563348 ZGTJVYNQVQKUOI-LJQANCHMSA-N 373.497 2.543 0 50 FFAA COc1c(C)cc(C)cc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82098217 DNPQDRDNNJSIAY-QFIPXVFZSA-N 374.525 2.899 0 50 FFAA NCCCOc1ccc(C(=O)NCc2cnn3ccccc23)cc1Cl 426372202 INZZZTCEDMJSON-UHFFFAOYSA-N 358.829 2.645 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCN(C)C[C@@H]1Cc1ccccc1 82091409 ZRLVTULPJCYINQ-PZJWPPBQSA-N 368.525 2.649 0 50 FFAA CN1CCC(C2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)CC1 95385407 WTOBOTFVKULURO-GOSISDBHSA-N 350.890 2.954 0 50 FFAA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(C/C=C/c1ccccc1)CC2 91526372 CWXMDGBBTPNGCE-JZLODUJNSA-N 356.466 2.878 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)NC[C@@H]3CNCCO3)cc2)c1 426550448 MQPNPBYUDHUUPU-IBGZPJMESA-N 352.434 2.665 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCCN1CCNCC1 95526602 QTWSXHSEUAMTGM-LJQANCHMSA-N 371.912 2.883 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95382596 DVJZMQNTDHVJBH-WOJBJXKFSA-N 366.509 2.959 0 50 FFAA Cc1cccc(C)c1OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239339233 LWOYIRFJSMUARP-QQPMLANJSA-N 365.429 2.650 0 50 FFAA O=C1CC2(CCN(C[C@@H]3CCOC3)CC2)CN1Cc1cc(F)cc(F)c1 91792699 GZIKQYCSRAKTGH-HNNXBMFYSA-N 364.436 2.816 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C(=O)O 236602880 NKEILEYWIPSLQD-RVKKMQEKSA-N 362.470 2.525 0 50 FFAA Cc1ocnc1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 95504850 GDNYGRBRZVFHSJ-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccccc1N1CCOC1=O 96139284 MHWCDQFENBJYCU-KRWDZBQOSA-N 370.409 2.890 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccn2)[nH]n1 97785102 PRRJGLIWHJRIAJ-HNNXBMFYSA-N 361.449 2.648 0 50 FFAA N[C@H]1CC[C@@H](CN2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)CC1 241081931 YSTIBSZWTDXSDE-FZNQNYSPSA-N 350.434 2.641 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 183118336 QLWZGKAFFMIRMP-JTQLQIEISA-N 366.339 2.827 0 50 FFAA CCNC(=O)c1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 534657554 XGMKDTREDJTING-TZIWHRDSSA-N 366.461 2.994 0 50 FFAA COc1ccc(CN2CCN(C(=O)N[C@H](C)C3CCCC3)CC2=O)cc1 534648721 CDGROOVGBIMUIB-OAHLLOKOSA-N 359.470 2.628 0 50 FFAA Cc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1F 299796793 OURAJMSCLWURGL-UHFFFAOYSA-N 370.407 2.888 0 50 FFAA Cn1cnnc1SCC(=O)N1CCC(Oc2cccc(Cl)c2)CC1 299799851 ULRCPIUVTXBQMJ-UHFFFAOYSA-N 366.874 2.631 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1c(C)[nH]c3c1C(=O)CCC3)C2 824804702 GXXAVKUBSXMASB-CYBMUJFWSA-N 354.406 2.584 0 50 FFAA CNC(=O)[C@H]1CC[C@H](CNC(=O)N(C)Cc2cccc3cnccc23)CC1 584892002 XVWIBNRDTXGWQI-WKILWMFISA-N 368.481 2.929 0 50 FFAA CC[C@H](C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1)n1cccn1 952976279 VGCNZUCGAOAUEX-GOSISDBHSA-N 369.469 2.897 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565514196 QUOGORNFEHVVME-ROUUACIJSA-N 360.841 2.768 0 50 FFAA O=C(c1ccc2c(c1)CCCN2)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565527140 BPKUEZBNPDHNFZ-QAPCUYQASA-N 363.465 2.576 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)NC(=O)[C@H]2OCC[C@H]2C)c1Cl 408497652 RXGQAGMQNJEYLL-KCJUWKMLSA-N 352.239 2.532 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)oc1C 270491201 UALHYKUEPVOKCR-LJQANCHMSA-N 369.465 2.753 0 50 FFAA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(Br)cc1F 275315221 OHXICJITGVGSOQ-VCTAVGKDSA-N 373.266 2.765 0 50 FFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)cc1 278481023 APXZLWATMAERRF-KXBFYZLASA-N 372.490 2.802 0 50 FFAA CN(C)c1ccc(N2CCC(N3C(=O)[C@H]4CCCCN4C3=O)CC2)cc1 170592661 JGYVGDQSHYBNCX-GOSISDBHSA-N 356.470 2.538 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)COc2ccccc2)C1 190534875 RVGOKUFFRRMDRR-MRXNPFEDSA-N 359.495 2.811 0 50 FFAA COc1cccc2c1CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)CC2 193723937 XZHWVELJLJZWPW-UHFFFAOYSA-N 374.506 2.546 0 50 FFAA O=C(c1csc(Cc2cccc(F)c2)n1)N1CCOC[C@@]12CCOC2 194446937 OWHFYOSCSAEXNZ-SFHVURJKSA-N 362.426 2.505 0 50 FFAA O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cccc2nsnc12 799185125 CVPBPWCTTSXKNP-UHFFFAOYSA-N 366.371 2.967 0 50 FFAA CCN(Cc1ccccc1)C(=O)C1CCN(CCc2nccn2C)CC1 1529113200 CJDVVUQKGKHTDF-UHFFFAOYSA-N 354.498 2.723 0 50 FFAA Cc1cccc(Nc2nc(N)nc(CN(C)Cc3nc(C(C)C)no3)n2)c1 1529099528 AJJNGXWJJMBLAL-UHFFFAOYSA-N 368.445 2.644 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(Oc3ccncc3)CC2)cc1OC 1529172142 JZPKDDBIDBQQGD-LJQANCHMSA-N 372.421 2.768 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN(CCO)Cc2cnc(C)[nH]2)n1 1704307470 GSUYRQZQHHABNI-UHFFFAOYSA-N 357.433 2.654 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3cccc4nonc34)C1)CC2 1704307503 ICTBSHNANXBYOC-FQEVSTJZSA-N 364.453 2.559 0 50 FFAA CCOCCN1C[C@H]2CN(Cc3cnc[nH]3)C[C@]2(CCc2ccccc2)C1 1772815985 CAUMRKRSMGOWLR-UNMCSNQZSA-N 368.525 2.813 0 50 FFAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 11938316 ORYDZGYWOIXSBL-KRWDZBQOSA-N 369.440 2.627 0 50 FFAA CC(C)=CCN1CCN(Cc2coc3ccc(C)cc3c2=O)C[C@@H]1CCO 19730839 WNEJEPIKDUSJPK-IBGZPJMESA-N 370.493 2.936 0 50 FFAA Cc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NS(C)(=O)=O 19855342 NDGGBNSTXNANDQ-UHFFFAOYSA-N 356.451 2.736 0 50 FFAA Cc1c(C)c2cc(-c3ccc4c(O)nc(=N)[nH]c4n3)c(O)c(C)c2oc1=O 1857526644 QLXZHDKTOZFHCA-UHFFFAOYSA-N 364.361 2.547 0 50 FFAA COCc1nc([C@H]2COCCN2C(=O)CCC=Cc2ccccc2)no1 1857527331 LLZLXGVQWROTEY-MRXNPFEDSA-N 357.410 2.610 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857680504 OKDROBZEFVMLBY-GMBSWORKSA-N 359.857 2.672 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857710343 RXOBZYXPFKTRER-YZVOILCLSA-N 373.472 2.772 0 50 FFAA O=C(c1nc2ccccc2[nH]1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857715903 NNANKTZEXRBBHX-IRXDYDNUSA-N 371.824 2.791 0 50 FFAA Cn1nccc1-n1nc(-c2ccc(F)c(F)c2)nc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857738394 GFODPMDYHYNKKH-YWPYICTPSA-N 357.364 2.981 0 50 FFAA O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@H](Nc2ccc3nccn3n2)C1 329098432 LXCBMZMAICFORX-WNRNVDISSA-N 367.497 3.349 0 50 FFAA CNC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 237319335 PZDSFNUTXGAMTP-SNVBAGLBSA-N 370.824 2.979 0 50 FFAA O=C(Cc1coc2cc3c(cc12)CCC3)N1C[C@H](O)CC2(CCOCC2)C1 922911048 YBSRPDVKQZWBEO-GOSISDBHSA-N 369.461 2.854 0 50 FFAA CN(C)C(=O)N1CCC(c2nc(C3(c4cnccn4)CCCC3)no2)CC1 924206456 MSKWNKDJDJGFGF-UHFFFAOYSA-N 370.457 2.581 0 50 FFAA Cc1cc(Oc2ccccc2)nc(=NCCn2cc([C@@H]3CCOC3)cn2)[nH]1 1875288182 QMNQCHPOAIPPOU-MRXNPFEDSA-N 365.437 2.812 0 50 FFAA CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](CNCC(=O)O)C1 1875264324 SJUKOBGLMZGOMR-CVEARBPZSA-N 361.486 2.523 0 50 FFAA C=CC(=O)N[C@@H](C)c1ccc(CNC(=O)c2cc(C(F)F)ncn2)cc1 1875386584 USJJWYXCIJHROS-NSHDSACASA-N 360.364 2.707 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)CC1 1875371254 VDXDNYVWESIFGG-QAPCUYQASA-N 356.466 2.824 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)C1([C@H]2CCCO2)CC1 1875330772 ZKGORECVGHBQNQ-GUDVDZBRSA-N 357.450 2.869 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)C1 1875374293 JGBYKQBWNZMIFW-BPQIPLTHSA-N 356.466 2.824 0 50 FFAA Cn1cncc1CN1CCC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 1875303008 RDCNLHSOQHPPDN-GFCCVEGCSA-N 350.825 2.607 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(C(=O)CC/C=C/c3ccccc3)C2)n1 886096809 QAAKQHPDHNKFIB-URZUPRTMSA-N 355.438 2.768 0 50 FFAA Cc1cccc(N2CCN(CC(=O)Nc3nc(C(F)(F)F)co3)CC2)c1 2100547876 QDUIZQNNMJWYPY-UHFFFAOYSA-N 368.359 2.763 0 50 FFAA Cc1ccc(-n2[nH]c(=NC(=O)c3ncoc3[C@@H]3CCCN3)cc2C)cc1 2325801765 VHAWJQLYUVKOLG-HNNXBMFYSA-N 351.410 2.576 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)c2cc3c(Cl)cccn3n2)cc1 2325857918 USGGDFRPXUKXEE-UHFFFAOYSA-N 371.828 2.740 0 50 FFAA O=C(Nc1cnn2cccnc12)c1c(Cl)ccnc1Br 2325895241 KAWZSQAYHDESMN-UHFFFAOYSA-N 352.579 2.793 0 50 FFAA Cc1ncsc1-c1ccc(CN[C@H]2CCN(c3cc(O)ncn3)C2)cc1 898151376 MGOQGSGIWTVBDO-INIZCTEOSA-N 367.478 2.983 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nsnc3c2)C1 780625 GKHGOJZTQYPHKO-GFCCVEGCSA-N 361.471 2.804 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)Nc1ccccc1 1062226 WXCZXXLCMMVXDA-MRXNPFEDSA-N 367.405 2.728 0 50 FFAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCC2)c1ccccc1 1188761 CBDNKDABBHUCLY-UHFFFAOYSA-N 356.447 2.962 0 50 FFAA COc1ccc(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 1232338 ZRWCCOMLLZJFOY-SNVBAGLBSA-N 370.689 2.814 0 50 FFAA CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1 4976312 VIYCHAJOSHMFEX-UHFFFAOYSA-N 362.455 2.920 0 50 FFAA O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 4998955 PGYOFJKUNBFRQV-UHFFFAOYSA-N 364.386 2.587 0 50 FFAA CCOc1cc(-c2nnn(CC(=O)NC3CCCCCC3)n2)ccc1OC 10337872 PLRJRBBMKMMAGW-UHFFFAOYSA-N 373.457 2.586 0 50 FFAA COCCN(Cc1sccc1C)C(=O)CCN1CCCCCC1=O 55368763 QBXIAZYQTFMQRY-UHFFFAOYSA-N 352.500 2.824 0 50 FFAA C[C@H](O)C[C@@H](C)CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 225474510 QKURYOUFOVUIJQ-ZJUUUORDSA-N 357.332 2.892 0 50 FFAA CCCc1cn(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1 55042574 XPXRSBRUGUFOAR-UHFFFAOYSA-N 371.441 2.903 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(C)n1 65364035 FWVSOVZINUZRJT-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA Cc1ccc(C(N)=O)c(N2CCC(n3cc(C4CCCC4)nn3)CC2)n1 20877600 ZKVKZMLWQXRBLC-UHFFFAOYSA-N 354.458 2.580 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)c1 20472502 FUXKIKCYGUCCTP-INIZCTEOSA-N 357.281 2.923 0 50 FFAA CCOC(=O)N1CCC(N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1 23282954 QZLWZECRLBIOOL-UHFFFAOYSA-N 359.470 2.632 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(Cn3ccnc3)o1)C2 67867395 KSIQSIILMWMBKS-UHFFFAOYSA-N 351.410 2.768 0 50 FFAA C[C@H](C(=O)NCCc1nccc(-c2ccccc2)n1)n1cc(Cl)cn1 65393867 HWLYLGPEWQHKIN-CYBMUJFWSA-N 355.829 2.913 0 50 FFAA CC[C@@H](C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1)n1cccn1 72435833 HRPOXUYYTHMRRY-SFHVURJKSA-N 368.485 2.631 0 50 FFAA CCCNc1ncc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 72431695 QVAXIQGVTWWKAF-NRFANRHFSA-N 365.525 2.974 0 50 FFAA CC(C)N1CCC(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 363485194 LXUOZUFQUUJXOO-IBGZPJMESA-N 357.498 2.670 0 50 FFAA O=C(C[C@@H]1COCCN1Cc1ccc2c(c1)OCCO2)Nc1ccccc1 72432483 FHKXWGJGLXXYSL-GOSISDBHSA-N 368.433 2.687 0 50 FFAA CSc1nc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cs1 215408278 VLICXGBMDIRLPO-UHFFFAOYSA-N 360.464 2.969 0 50 FFAA O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC(c3cnc[nH]3)CC2)C1 378068840 AMLDRQVRSHTOOL-GOSISDBHSA-N 366.465 2.668 0 50 FFAA O=C(c1ccccc1-n1cccn1)N1CCN(c2ccccc2F)CC1 44261679 DNBXFTMPCNNOQN-UHFFFAOYSA-N 350.397 2.974 0 50 FFAA Cc1cccc(C[C@@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C(=O)O)c1 237675986 FYUJPMMLFWZRQH-GJZGRUSLSA-N 358.394 2.508 0 50 FFAA C[C@@H](C(=O)N1CCCC[C@@H]1c1cccn1C)n1nnc(-c2ccccc2)n1 173543839 SDLWFEARGJKFBJ-MAUKXSAKSA-N 364.453 2.993 0 50 FFAA Cc1nn(CCC(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(C)c1C 223935484 HRMBEWRBNONDBP-ZDUSSCGKSA-N 354.414 2.521 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCN(Cc1cn[nH]c1-c1ccc(F)cc1)C2 221304345 RQVMEZXLZYOIPL-SFHVURJKSA-N 355.417 2.872 0 50 FFAA CC1(C)CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@@H]1c1ccccc1 426597205 JMFVLMVLYFOFHW-QGZVFWFLSA-N 366.465 2.579 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCC(Cn3ccnc3)CC2)c1C 426535996 YZWMWLJCFSJLTB-CQSZACIVSA-N 371.485 2.789 0 50 FFAA COc1cccc(N2CCN(C(=O)CCc3ccc(F)cc3F)CC2=O)c1 91769262 IUZCMJLVSGULSN-UHFFFAOYSA-N 374.387 2.781 0 50 FFAA CCn1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cn1 92106959 ZNVXJVJDXHSICA-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA C[C@@H](CNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1ccnc1 95506188 MMVHWOAOXTVAJV-HNNXBMFYSA-N 357.458 2.739 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91933943 JWPLZPJQWYTVNQ-QGZVFWFLSA-N 364.453 2.563 0 50 FFAA CN(Cc1ccon1)Cc1ccccc1OC[C@H](O)CN1CCCCC1 95501552 VMCKPOSJALNTHH-LJQANCHMSA-N 359.470 2.532 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)n1 91391242 SUKRVJKTTOQTFH-HNNXBMFYSA-N 371.416 2.506 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cn1 91434555 OUNPXBIZBFFOTD-QGZVFWFLSA-N 365.437 2.781 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(OC)c(F)c1F)CO2 91644300 ISPGSELMNDCLAC-CYBMUJFWSA-N 363.360 2.850 0 50 FFAA COC(=O)c1cc(Br)cc(C(=O)OC)c1Br 95670838 GCPAOHQBVHGERO-UHFFFAOYSA-N 351.978 2.785 0 50 FFAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CCCN(C)C2(CCNCC2)C1 244748729 ONFVSLYWULWMGA-UHFFFAOYSA-N 369.431 2.914 0 50 FFAA O=C(CCc1ccc2[nH]ccc2c1)NCc1ccnc(O[C@H]2CCOC2)c1 181578269 RVSUHVGBRDTWSW-SFHVURJKSA-N 365.433 2.980 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1)C(=O)O 252552022 ULUVSAUIWNKOPX-APPDUMDISA-N 370.409 2.766 0 50 FFAA COc1ccc(C(NC(=O)[C@@H]2C[C@H]2C(=O)O)c2ccc(OC)cc2)cc1 299753610 YUFIDRRBKHGYJX-IAGOWNOFSA-N 355.390 2.630 0 50 FFAA O=C(O)C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 299745998 UQCAVBSSPFPXIG-MRXNPFEDSA-N 373.380 2.862 0 50 FFAA C[C@@H](NC(=O)N1CCN(c2ccccn2)CC1)c1nc2ccccc2n1C 534655565 NMLFOTFHXCQTSZ-OAHLLOKOSA-N 364.453 2.561 0 50 FFAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)NCc1cncn1CC 534585544 BWCIBLPZWWFWBR-UHFFFAOYSA-N 358.421 2.693 0 50 FFAA COc1ccc(C(=O)N2CCC(C(=O)N3CC=C(C)CC3)CC2)cc1OC 299785542 UNMGKJLGRNFBSI-UHFFFAOYSA-N 372.465 2.735 0 50 FFAA COc1ccc2[nH]c(C(=O)NCc3cccnc3-n3ccnc3)c(C)c2c1 67920370 ASKKHRGAMVNSNH-UHFFFAOYSA-N 361.405 2.996 0 50 FFAA CC(C)[C@H](Nc1ncnc2ccccc12)C(=O)NCc1cccc(CO)c1 828827612 QFQLHEUHMPUCIH-IBGZPJMESA-N 364.449 2.875 0 50 FFAA c1csc(Cn2c(-c3ncc4ccccn34)nnc2N2CCOCC2)c1 1346046729 JESCRUMVLMKPRJ-UHFFFAOYSA-N 366.450 2.539 0 50 FFAA Cc1ccc(F)cc1C(=O)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565531439 SPOCRVAKXLMGEK-JXFKEZNVSA-N 355.365 2.837 0 50 FFAA O=C(c1ccc(O)cc1O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 276809111 HCEKPFJMVLYJMZ-HNNXBMFYSA-N 373.409 2.742 0 50 FFAA O=C([C@H]1CC=CC[C@@H]1c1nc(Cc2cccc(F)c2)no1)N1CCOCC1 278986379 KOOZOAQTIKEUQV-IRXDYDNUSA-N 371.412 2.708 0 50 FFAA Cc1ccc(C(=O)c2ccccc2C(=O)NCc2nc(N(C)C)no2)cc1 170600615 PBYNPZUCLJQJDE-UHFFFAOYSA-N 364.405 2.605 0 50 FFAA O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCC[C@@H]1c1ccn[nH]1 170617854 KEKIRCKWHGMQHX-CYBMUJFWSA-N 373.356 2.681 0 50 FFAA CC(C)(NS(=O)(=O)C[C@@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 188462398 SJYSLXWJDUFGPG-LLVKDONJSA-N 367.389 2.776 0 50 FFAA Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)ccc1OCC1CC1 189476148 BMSNLCLIJGHVTK-UHFFFAOYSA-N 353.419 2.766 0 50 FFAA CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CC1 195438939 QOSLWSCLKWCRPO-GOSISDBHSA-N 369.509 2.762 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)c1 865093146 DITGGVIIRWZZLX-UHFFFAOYSA-N 373.453 2.752 0 50 FFAA Cc1cccc(-c2cccc(C(=O)N[C@H](C)c3n[nH]c(CC(=O)O)n3)c2)c1 1506408812 QHIQTROUWSWUTP-CYBMUJFWSA-N 364.405 2.898 0 50 FFAA c1ccc([C@H]2COC[C@H]3CN(Cc4ccc5c(c4)OCCO5)CCN23)cc1 1529159698 XSAOHUBDHJSZEQ-WOJBJXKFSA-N 366.461 2.716 0 50 FFAA CC(C)[C@H]1CN(c2nc(N)c3cnn(C)c3n2)C[C@@H](c2ccccc2)O1 1529158661 IHKUAAMETRCEEJ-CVEARBPZSA-N 352.442 2.548 0 50 FFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2nc3ccc(F)cc3[nH]2)cc1OC 1529142937 XVIXNEONDKWQKY-SFHVURJKSA-N 373.384 2.977 0 50 FFAA COc1ccc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)c(Cl)c1OC 1800410328 POYXFHKQPBHPIS-CYBMUJFWSA-N 369.845 2.670 0 50 FFAA CN(Cc1ccon1)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772807398 USSDZYNOCNRIBO-ZDUSSCGKSA-N 354.435 2.957 0 50 FFAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1ccc2c[nH]nc2n1 1775982902 ZTDHTRWBZFYJNP-UHFFFAOYSA-N 352.373 2.678 0 50 FFAA Cc1nc(NCC[C@@H]2CCCCN2S(C)(=O)=O)c2ccsc2n1 1772710173 VSGBXXZUHDJYMA-LBPRGKRZSA-N 354.501 2.616 0 50 FFAA CCn1cncc1CN1CCCN(C(=O)CCc2ccc(F)cc2)CC1 1772806289 BFDLRRAEBPAVHN-UHFFFAOYSA-N 358.461 2.709 0 50 FFAA Cc1nn2ncccc2c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 1775983785 BWFBHDRYRAAUKR-INIZCTEOSA-N 356.813 2.905 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1COc2ccccc2O1 5904046 OELRYSNLFJGVQV-GOSISDBHSA-N 352.390 2.701 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2=O)c1 12228001 QIDOMMXCFAVQLP-HXUWFJFHSA-N 360.429 2.585 0 50 FFAA Cc1cccc(C[C@H](C)N2CCC(CCC(=O)N3CCOCC3)CC2)n1 12430565 MEXMONMJCFSIPE-SFHVURJKSA-N 359.514 2.672 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(F)cc3)C2)nn1 14957412 JZBMAMWJTMUWBH-QGZVFWFLSA-N 359.449 2.736 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1 19855154 OSKVTOYRWVLEJN-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA CN1CCN(C)[C@H](Cn2ccnc2-c2cnc(-c3ccccc3)s2)C1 1857684740 BGZDXOKSOKZEGJ-INIZCTEOSA-N 353.495 2.919 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)CCc2cccnc2)[C@H]1c1ccccc1 1857695905 DMSVQBBGCWHSQR-FPOVZHCZSA-N 353.466 2.545 0 50 FFAA CNC(=O)c1cccc(-n2ccnc2-c2cc3c(cc2OC)OCCO3)c1 1857705027 OYIIHFXUZFFNIB-UHFFFAOYSA-N 365.389 2.679 0 50 FFAA O=C(COC[C@@H]1CCOC1)Nc1c(-c2ccccc2)nc2ccccn12 117577724 WUGGJQRZTQECTG-OAHLLOKOSA-N 351.406 2.993 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)cc2)[nH]1 237739051 SWSNDZJHLOZNPE-JYJNAYRXSA-N 354.410 2.638 0 50 FFAA CCc1ccc(OC[C@H](O)COc2ccc(-c3ncn(C)n3)cc2)cc1 242339108 ZEYNUMBXGSTXFX-KRWDZBQOSA-N 353.422 2.863 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1COc2ccc(Cl)cc2C1 363398857 PUEYHQJFZCWORW-CJNGLKHVSA-N 361.829 2.905 0 50 FFAA CCN1C(=O)CC[C@H](CNc2nccc3occc23)[C@H]1c1cnn(C)c1 952888060 ZNXXHTAFWPPEQL-ACJLOTCBSA-N 353.426 2.973 0 50 FFAA CC(C)(C)C[C@H]1CNC(=O)N(Cc2ccc(Br)cn2)C1=O 1875290137 ZSUXMDCKBFWURH-JTQLQIEISA-N 354.248 2.948 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(O)(C4CCCCC4)CC3)n[nH]c21 1875396504 JXNZJKKVILOSEH-KGLIPLIRSA-N 361.486 2.979 0 50 FFAA O=C1CC[C@H](N2Cc3c(cccc3-c3ccsc3Cl)C2=O)C(=O)N1 1875355693 FJAQHSOEDSAIPH-ZDUSSCGKSA-N 360.822 2.830 0 50 FFAA O=C1N[C@H](c2ccccc2Cl)C(=O)N1c1cn(Cc2ccccc2)nn1 1875336455 DXFRFEQAZFJVEM-MRXNPFEDSA-N 367.796 2.777 0 50 FFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)Cc1csc(C(=O)O)c1 1875304164 BVRDGKWYHWAZGT-UHFFFAOYSA-N 357.435 2.956 0 50 FFAA Cc1cccnc1CCC(=O)N1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1C 1875406622 ILEXNMLQGXPIEY-DZOHQFGASA-N 357.498 2.674 0 50 FFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccnn3CC(F)(F)F)[C@H]2C)o1 886085083 ZXWJVGUDUVBZOU-ONGXEEELSA-N 357.336 2.545 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cn(C)nc2C2CCC2)C3)n1 888099111 SSBXEXODSILDEF-LIRRHRJNSA-N 355.442 2.573 0 50 FFAA Cc1c2ccc(NC(=O)NCc3c(C(F)(F)F)cnn3C)cc2nn1C 888100330 VPVIEBYGUZQHFI-UHFFFAOYSA-N 366.347 2.956 0 50 FFAA Cc1c(C(=O)NCc2ccc(CN(C)C)s2)c2ccccc2n(C)c1=O 2325766833 KGDOBAACNCANLC-UHFFFAOYSA-N 369.490 2.900 0 50 FFAA CCc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1 2325843187 YLOOGAUTXZYLAO-INIZCTEOSA-N 354.454 2.740 0 50 FFAA Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl 644431 CEIXBKJZNWNJLH-UHFFFAOYSA-N 357.907 2.501 0 50 FFAA Cc1cccc(NC(=O)c2ccccc2OCC(=O)N2CCOCC2)c1C 1141268 UBMFGKMYTQCUFY-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2 1461158 YFYBVHBZSZFSAN-NSHDSACASA-N 359.378 2.901 0 50 FFAA biogenic,in-vitro CCCN1CCC[C@]2(CCCN2C(=O)CCn2cnc3ccccc32)C1=O 2356149312 ULUPHJWSHOSFAV-NRFANRHFSA-N 368.481 2.820 0 50 FFAA COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1OC 2393800 GZFWLORVRFBSBC-UHFFFAOYSA-N 357.453 2.509 0 50 FFAA CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)O)cccc12 2516261 GDDXNKVUNINOBA-UHFFFAOYSA-N 364.467 2.829 0 50 FFAA CCc1sc(C(=O)NCCCN2CCCC2=O)cc1Br 2872487 HYUVCMNLMSKHPZ-UHFFFAOYSA-N 359.289 2.815 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC[C@@H]2CCCO2)cc1 4005792 TYOHTRVRUGQOHX-RCCFBDPRSA-N 359.422 2.938 0 50 FFAA Cc1c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c2ccccc2n1C 4973704 CILUKCYINVZTFJ-UHFFFAOYSA-N 368.414 2.514 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 8041245 ZXLUMCRFEYCUKM-CYBMUJFWSA-N 370.540 2.724 0 50 FFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)[C@H](C)CC 25664095 IYVYOUHROQHPGA-KBMXLJTQSA-N 364.442 2.697 0 50 FFAA COC(=O)c1ccnc(NC(=O)c2nc(C)n(-c3ccccc3Cl)n2)c1 114444325 FFSZPNOVDNHQLR-UHFFFAOYSA-N 371.784 2.663 0 50 FFAA NC(=O)COc1cccc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)c1 55196931 FISJDAMMJGDFBT-HXUWFJFHSA-N 372.440 2.871 0 50 FFAA COC[C@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cccc(N)c1 55108626 XIRSERQPNFNQLQ-AWEZNQCLSA-N 358.438 2.963 0 50 FFAA CC(=O)[C@@H]1CC(C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)=NN1c1ccccc1 246631031 UTGFSMOAVNAKNE-DSLXNQLJSA-N 370.449 2.957 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cnn(C(C)C)c2)C[C@@H]1CCO 23373193 SERTYKJSMHXXFJ-NRFANRHFSA-N 356.514 2.841 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)cc1 104459023 ZEMRBBGYXDQHRM-HXUWFJFHSA-N 356.514 2.910 0 50 FFAA Cc1cccc(N2CCC(N3CCn4nc(C(=O)O)cc4C3)CC2)c1C 65409008 RJZBIBSZXAREMP-UHFFFAOYSA-N 354.454 2.683 0 50 FFAA Cn1cc(NC(=O)CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)cn1 67955761 VKCPUFOVSHQGIS-UHFFFAOYSA-N 371.828 2.725 0 50 FFAA Cc1ccccc1C[C@@]1(CO)CCCN(c2nnnn2-c2ccccc2)C1 67921978 BIOGMRJPQANOGS-NRFANRHFSA-N 363.465 2.792 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 67956178 SYTUVDFSTDXJPZ-OAHLLOKOSA-N 363.421 2.516 0 50 FFAA CCn1cc(NC(=O)c2ccc(CN(C)[C@@H](C)c3ccon3)cc2)nn1 65394956 SURJLBSNVGRYKH-ZDUSSCGKSA-N 354.414 2.731 0 50 FFAA COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1ccsc1C(=O)O 319717796 ZZOJXSQWZFTLMA-MRVPVSSYSA-N 359.400 2.634 0 50 FFAA CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)n1 151375275 LKIYLALQQIAMMH-QGZVFWFLSA-N 356.474 2.553 0 50 FFAA CNC(=O)c1cc(NS(=O)(=O)c2ccc(F)c(OC)c2)ccc1Cl 240321595 FAOWLIVARLUSGN-UHFFFAOYSA-N 372.805 2.648 0 50 FFAA CCc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 125097798 IAAGSTOUNAKGBE-INIZCTEOSA-N 374.916 2.930 0 50 FFAA COCc1nocc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 485765264 DTNCXWOPDPLNCN-LJQANCHMSA-N 357.454 2.634 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(S(=O)(=O)CC)C1 12577313 LNWATVDBUDTVFW-KRWDZBQOSA-N 373.902 2.878 0 50 FFAA O=C(c1cnn2ccccc12)N1CCN(c2nc3ccccc3s2)CC1 72473892 QLYSKHLINIDZRJ-UHFFFAOYSA-N 363.446 2.906 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1c1ncon1 331746991 XVYUBKHLCTWHLH-SKDRFNHKSA-N 372.208 2.744 0 50 FFAA CC[C@@H]1C[C@H](C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC(=O)N1 452260306 PHHDKSXKCDGNNQ-WCQYABFASA-N 370.371 2.995 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1 332280402 LASCYMJZRYYRTO-GFCCVEGCSA-N 360.433 2.745 0 50 FFAA C[C@@](O)(CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 174315554 IIUDTVRIOLFOCY-HXUWFJFHSA-N 372.490 2.624 0 50 FFAA COc1cc(F)cc(CNC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 376338233 POECSALNMPVJMR-HXUWFJFHSA-N 369.396 2.640 0 50 FFAA CSc1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1 216345100 GWGCTGAMZJFGRR-UHFFFAOYSA-N 370.474 2.982 0 50 FFAA O=C(NCc1noc2c1CCCC2)N1CC[C@@]2(C1)OCc1ccccc12 377004855 AASJJYHDFHPWRE-FQEVSTJZSA-N 353.422 2.894 0 50 FFAA CC(C)(C)CCCC(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1 159007562 ZWMHEUIBQFFUGN-UHFFFAOYSA-N 351.428 2.758 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)C(F)(F)F 334103560 NXOIOPDNRGGILF-FPMFFAJLSA-N 357.376 2.846 0 50 FFAA Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1F 40979996 CJTLKLBSIFQKNT-UHFFFAOYSA-N 358.421 2.659 0 50 FFAA in-vitro C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc[nH]n1 286105530 MVVQOOQOXKXXNX-SNVBAGLBSA-N 353.348 2.915 0 50 FFAA COc1cc(C)ccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82125832 CEOUVGHTAQEUPY-NRFANRHFSA-N 360.498 2.591 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCCCn1c(C)cccc1=O 220180440 LVUUEHYXPOGMJT-UHFFFAOYSA-N 365.433 2.869 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)[nH]n1 82120776 HFQKRAMLUVXYSY-OAHLLOKOSA-N 352.442 2.697 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)Cc2noc3ccccc23)n1 223058381 PPFHHBANRZCJNH-OAHLLOKOSA-N 370.409 2.696 0 50 FFAA Cc1cc(O)cc(=O)n1CC(=O)NCCCc1ccc(Cl)cc1Cl 133482157 KIMWQWWXJISZLP-UHFFFAOYSA-N 369.248 2.918 0 50 FFAA O=C(CSc1ccc(Cl)cc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 223048548 QNPQVKYUKXOYDF-BZZMCLGOSA-N 366.914 2.800 0 50 FFAA COCCN1C[C@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O 85532870 XZHQVKDWASQVIT-KRWDZBQOSA-N 355.841 2.730 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)n2)cc1 222242933 HJKFNKOXHROWOI-TUVASFSCSA-N 356.403 2.711 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@H]1c1cccc(F)c1 91933029 RKIHPZFLQPINFB-ZWKOTPCHSA-N 357.381 2.791 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)c2coc(CN3CCOCC3)c2)no1 95374217 DFYCWRSOIMERME-GOSISDBHSA-N 359.426 2.776 0 50 FFAA COCCN1CCC(C(=O)NCc2cccc(C(F)(F)F)c2F)CC1 97797526 REUDKTGJIPYUED-UHFFFAOYSA-N 362.367 2.819 0 50 FFAA Cc1ncc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c(C)n1 97797303 ALEGUOYIYMTBAP-GOSISDBHSA-N 355.438 2.794 0 50 FFAA COc1ccc(CNC(=O)c2cnc(-c3ccncc3)nc2)c(F)c1F 95357107 SCNZILDZCQKZJT-UHFFFAOYSA-N 356.332 2.755 0 50 FFAA CCn1nc(CCOC)nc1-c1ccc(-c2nc(OC)cc(OC)n2)cc1 96149885 LRORDNRUECISML-UHFFFAOYSA-N 369.425 2.628 0 50 FFAA COc1ccc(-c2ccc(NC(=O)N3CCO[C@H](CCN)C3)cc2)cc1 96140752 HRVFWMWRIFGYFG-LJQANCHMSA-N 355.438 2.944 0 50 FFAA COCCCn1cnnc1CNC(=O)c1[nH]c2c(C)cc(C)cc2c1C 91655964 SMVQLHIJCQVTEA-UHFFFAOYSA-N 355.442 2.651 0 50 FFAA CC(C)N1CCC[C@H](C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)C1 95511555 MOMMOANVAOIUIN-KRWDZBQOSA-N 369.509 2.644 0 50 FFAA COc1ccc(C(=O)N2CCN(C(C)=O)CC2(C)C)cc1-c1ccccn1 180399852 ZBSJBRJYMSGXMP-UHFFFAOYSA-N 367.449 2.840 0 50 FFAA Cc1ocnc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 95519696 QEVDDXTYZNAXRK-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(c2ccnc(C)c2)CC1 91519061 KXIWCGCRWQOHRR-UHFFFAOYSA-N 365.485 2.939 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)N(C)CCC[C@@H]3CCCO3)c2)n1 96164390 WVYITMSWQWXXLW-MRXNPFEDSA-N 358.446 2.783 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccn(C(C)(C)C)c2)[C@H]2C[C@H](O)C2)c1 244748556 OJOKOQUPUDEOEI-QGPMSJSTSA-N 357.454 2.889 0 50 FFAA CCN(CC)c1ccc([C@@H]2[C@H](C(C)=O)C(=O)C[C@](C)(O)[C@@H]2C(C)=O)cc1 245231970 NBLIITIVEKGZFS-NCYKPQTJSA-N 359.466 2.751 0 50 FFAA O=C(NOCc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 184181955 RMOICKUCQZPNJO-SFHVURJKSA-N 370.424 2.855 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4)c3CO2)cc1 263616355 IFRUNOJCCFBTQQ-KRWDZBQOSA-N 368.368 2.950 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)CN1C1CCCCC1 96140884 LYQQMMIDBYTGBM-APWZRJJASA-N 374.529 2.697 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)N[C@H](C)Cc3cc(C)n[nH]3)ccc21 299786364 SUQRAQMMUCDKJF-GFCCVEGCSA-N 371.441 2.990 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H]1CCN(c2ccccc2)C1 299794201 JYXBULZIGNLVEM-INIZCTEOSA-N 352.482 2.864 0 50 FFAA COc1ccc(C(C)(C)C)cc1NC(=O)NCCc1cnc(O)nc1O 299768434 KTFBXAMUAXDTFK-UHFFFAOYSA-N 360.414 2.558 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCN([C@@H]4CCNC4)CC3)c2)cc1F 299766808 LICBVWADQYJFIY-HXUWFJFHSA-N 367.468 2.921 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(C2(O)CC2)CC1 651784304 KEEMFUNDTCTOOZ-UHFFFAOYSA-N 350.267 2.919 0 50 FFAA C[C@@H](NC(=O)N1CCN(CCO)CC1)C(c1ccccc1)c1ccccc1 584889236 PZVQENQAAUJOMN-GOSISDBHSA-N 367.493 2.527 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(-c2cccc(N3CCNCC3)c2)c1 584887130 FEIABEALGHQNGO-OAQYLSRUSA-N 365.477 2.672 0 50 FFAA C[C@@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1CN 1342739201 IIEAMCCOJKYWSC-TZMCWYRMSA-N 373.478 2.525 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C[C@]1(O)CCCN2CCCC[C@@H]21 63847460 KLBKKMPCVLXOBO-NHCUHLMSSA-N 354.498 2.684 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1C 952967757 BRQSLSGACVNKDK-UHFFFAOYSA-N 358.442 2.502 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)cccc2c1 408132186 IPNHRUJLPGIXFC-JKSUJKDBSA-N 362.495 2.961 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccn[nH]2)CN1c1ccc(Cl)cc1 278644827 ODOROOOTANHARL-WBMJQRKESA-N 358.829 2.780 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)nc1)N[C@H]1CCCc2c(O)cccc21 191284839 LDKXMOFLHZCBCS-KRWDZBQOSA-N 368.437 2.823 0 50 FFAA COc1cccc(N2CCN([C@H]3CCc4ccccc4NC3=O)CC2)c1 191881980 DEVKPOZKEQCTDQ-FQEVSTJZSA-N 351.450 2.771 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CC[C@H](Cc4cnn(C)c4)C3)cc2)o1 747558298 FPNDVTQNEYXLRM-CQSZACIVSA-N 366.425 2.875 0 50 FFAA O=C(Nc1nc2c(F)cccc2s1)[C@H]1CC(=O)N(Cc2ccccn2)C1 1529191467 ZKCTVFPACRQEDO-NSHDSACASA-N 370.409 2.818 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)cc1 213367287 SVEIZPVVQPFAMM-NQIIRXRSSA-N 360.498 2.761 0 50 FFAA C[C@@]1(O)CCOC2(CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 1704310809 TXUNXMKNIDXARJ-MRXNPFEDSA-N 355.381 2.904 0 50 FFAA O[C@@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)C[C@H]1Cc1cnccn1 1704300385 VHARQJFXJSYXDE-MLGOLLRUSA-N 355.335 2.670 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCc1nccn1C)C2 1772807201 QZDSRYSHNFSTJX-GFCCVEGCSA-N 371.466 2.570 0 50 FFAA CCS(=O)(=O)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 12573343 WFTASRKKZQHDOJ-UHFFFAOYSA-N 366.527 2.865 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 14953423 YAXAVLMCUYFCDR-GFCCVEGCSA-N 356.817 2.603 0 50 FFAA Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 16624265 VGHIJOGBGJUHGX-UHFFFAOYSA-N 365.458 2.611 0 50 FFAA O=C(NC1CCCCC1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169759735 SUJLWAXETNGDCJ-LJQANCHMSA-N 369.421 2.946 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]12 1857708192 KJRYDIJSYLIKMP-CBVHJVASSA-N 356.466 2.826 0 50 FFAA Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)c1ccccc1C 4868518 PYBFUWDQKRYLGT-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA CC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2CCCC2)c1 12328625 GGXRTXNIOCXBEV-UHFFFAOYSA-N 373.497 2.803 0 50 FFAA CC1(C)CC(C(=O)N2CCOC[C@@H]2c2ncnn2Cc2ccccc2)C1 367520068 UCQGHPJFASEYJN-QGZVFWFLSA-N 354.454 2.663 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CCO1 263046920 WKCUTVWKQUVJGC-IPYPFGDCSA-N 372.446 2.658 0 50 FFAA CCOc1ccc([C@@H](O)C2CCN(Cc3ccn(C)c(=O)c3)CC2)cc1 812864111 XVHYQZOJNCASCN-OAQYLSRUSA-N 356.466 2.730 0 50 FFAA CN1C(=O)CC[C@H](NCc2cc(Cl)ccc2F)[C@H]1c1ccnn1C 922403715 BDONCUUYZDBMER-YOEHRIQHSA-N 350.825 2.664 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 874569001 GROSORZLUXQPIK-WFASDCNBSA-N 370.371 2.671 0 50 FFAA COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)N(C)C1CC1 1875288584 NRAPOHSUCQAXJU-UHFFFAOYSA-N 373.375 2.807 0 50 FFAA CN1CCO[C@H](c2nc(-c3cccnc3O)n(C3CCCCCC3)n2)C1 1875347323 KZSZFMLLIYPXJM-INIZCTEOSA-N 357.458 2.944 0 50 FFAA COC(=O)c1cc2ccccc2cc1OC[C@H]1C[N@@]1Cc1cnn(C)c1 1875385366 ROLFYLLPXPWVQX-UZUQRXQVSA-N 351.406 2.623 0 50 FFAA C[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2nc(C3CCC3)no2)C1 1875407226 VMUNPOQWXVAYOA-DZUCGIPZSA-N 358.486 2.949 0 50 FFAA Cc1cc(CC2(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)CC2)ccc1F 1875403181 QZGYLCLXMRGMLZ-BHIYHBOVSA-N 371.456 2.609 0 50 FFAA CCn1nccc1C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)CC1 886078303 VFYPDXKIZZCLEC-AEFFLSMTSA-N 357.458 2.500 0 50 FFAA Cc1c(/C=C/c2nnc([C@@H]3CCCO[C@H]3c3cnn(C)c3)o2)cnn1C 886094589 AKWGUNSWYUUKBR-TYGQBZDHSA-N 354.414 2.651 0 50 FFAA COCC1(c2ccccc2)CN(S(=O)(=O)c2cccc3cnccc23)C1 886082505 JJSKDKRYUQYSFQ-UHFFFAOYSA-N 368.458 2.824 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2oc(Br)cc2C)C1 888077629 MMJPEJAKPJKHLA-NXEZZACHSA-N 354.204 2.676 0 50 FFAA CN(C(=O)c1ccn(-c2c(F)cccc2F)n1)C1([C@@H]2CCCCN2)CC1 2325812340 NYPPPNYIHQSCSU-INIZCTEOSA-N 360.408 2.897 0 50 FFAA O=C(O)[C@]1(C(=O)NCc2nc3c(s2)CCCC3)C[C@H]1c1ccccc1 907564279 CBNVDYKYDHXDAX-ORAYPTAESA-N 356.447 2.897 0 50 FFAA O=C(O)c1ccc2c(c1)N(C(=O)CC[C@H]1Cc3ccccc3NC1=O)CC2 908047591 MPULWSIFWHTMBS-HNNXBMFYSA-N 364.401 2.865 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cc2)n1 2356143904 CDRZSPXKPABWBU-IYARVYRRSA-N 355.438 2.921 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356156878 UWBMGXUUNUFQDS-IBGZPJMESA-N 374.872 2.521 0 50 FFAA Cc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)o1 4839216 ZEDLOACTKSONRU-CYBMUJFWSA-N 351.399 2.557 0 50 FFAA Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)no1 4841852 FCQVCOCSFPGEMK-UHFFFAOYSA-N 367.402 2.549 0 50 FFAA Cc1cc(C)cc(NC(=O)CC(=O)NC[C@H]2COc3ccccc3O2)c1 55393742 RKAUSTJOCASYKS-INIZCTEOSA-N 354.406 2.588 0 50 FFAA Cc1nnc(SCC(=O)NC[C@H]2CCN(c3ccccc3C)C2)s1 55392968 MSYGTBZCPJWILS-CQSZACIVSA-N 362.524 2.890 0 50 FFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCCC1)CC2 23544121 IVNKPQBCWXEBIX-KRWDZBQOSA-N 352.482 2.586 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@H](c1ccc(F)cc1)CNC2=O 65404794 LOVLNCXUYQBLTH-ZDUSSCGKSA-N 353.401 2.892 0 50 FFAA O=C1CC2(CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)CN1 65496540 OVUIBFSOPSDETO-UHFFFAOYSA-N 356.253 2.805 0 50 FFAA O=c1[nH]c2cc(Cl)ccc2cc1CN1CCN(c2ccncc2)CC1 67756889 LDBQBQNQHXNHFK-UHFFFAOYSA-N 354.841 2.899 0 50 FFAA Cn1ccn2ncc(C(=O)N3CC[C@@H](c4ccc5ccccc5c4)[C@H](O)C3)c12 67967708 YSZNGZJZUFWKCO-AZUAARDMSA-N 374.444 2.817 0 50 FFAA Cc1ncc(CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)s1 67489839 NHESDVKAYJJBKP-UHFFFAOYSA-N 369.494 2.716 0 50 FFAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nc(-c2cccnc2)no1 229899980 ABSALNFYRCZFOH-RRQGHBQHSA-N 355.442 2.668 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCC[C@](C)(O)C3)n2)cc1C(=O)O 72480225 BIBDASKRQGRSEP-IBGZPJMESA-N 357.410 2.592 0 50 FFAA CN1CCC(N(Cc2ccco2)C(=O)c2cc3ccccc3c(=O)[nH]2)CC1 124084817 RLQSVTRFCIVTRG-UHFFFAOYSA-N 365.433 2.858 0 50 FFAA COC(=O)c1cc(Cl)ncc1OCC(=O)N1c2ccccc2C[C@@H]1C 328593125 CVESGVNBAUIITK-NSHDSACASA-N 360.797 2.878 0 50 FFAA CCn1nccc1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 328605491 OAKAOFXGGPCIRY-OXQOHEQNSA-N 364.453 2.902 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1cccc(F)c1F 72476348 BPFCDQIPBYLRKR-QGZVFWFLSA-N 365.468 2.777 0 50 FFAA COc1ccccc1[C@H]1CCN(C(=O)c2ccccc2S(C)(=O)=O)C1 153160129 URRVEQVUYVFWJD-AWEZNQCLSA-N 359.447 2.728 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1 218989194 WVAFPXNGGQFNII-KRWDZBQOSA-N 363.433 2.532 0 50 FFAA C[C@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)[C@H]1CCCNC1 262600647 BZUYZTYNZOSMNY-MJGOQNOKSA-N 363.546 2.653 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72152012 VOLSJIVPDHGZLH-MISYRCLQSA-N 352.434 2.991 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cn21 333177517 PBKSWHVEGFOKIU-CPUCHLNUSA-N 365.499 2.503 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)c12 72121546 SCNMJAQUTIIHMT-LJQANCHMSA-N 370.409 2.513 0 50 FFAA Cc1noc(-c2ccccc2C(=O)Nc2cccc(-n3nnnc3C)c2)n1 172793471 SRKCJHJHOMCWGX-UHFFFAOYSA-N 361.365 2.581 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@@H](CCOC)C(=O)O)c1 262306742 OWKYIGSEEIFEBY-KRWDZBQOSA-N 357.406 2.972 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(OCc2ccccc2)CC1 82114872 LOMCRSDWIITIPN-UHFFFAOYSA-N 354.450 2.824 0 50 FFAA Cn1ncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1-n1cccc1 49549518 TVNRHWJNGGFHGB-UHFFFAOYSA-N 369.856 2.827 0 50 FFAA O=C(NCc1cnn(-c2ccc(F)cc2)c1)N(CCO)C1CCCCC1 426507868 LSMFKWCKMLSOON-UHFFFAOYSA-N 360.433 2.848 0 50 FFAA C/C=C/CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82115682 AKIQBWYOICZZNG-GMKGHPLGSA-N 355.482 2.822 0 50 FFAA Cc1ccc(C)c(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1 82114855 GEILOFGKQLBZEQ-UHFFFAOYSA-N 355.486 2.677 0 50 FFAA Cc1ccc(C(C)(C)NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1 426555682 UAMBGEFEZPYTIT-IBGZPJMESA-N 359.514 2.718 0 50 FFAA Cc1ccc([C@H](C(=O)O)N2CCC(CCN3CCCC3=O)CC2)c(F)c1 95383850 DMXYWGPHVHYWPV-LJQANCHMSA-N 362.445 2.984 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)[C@H]1c1ccc(F)cc1 97815413 DRERCZURSGALFI-KRWDZBQOSA-N 364.380 2.529 0 50 FFAA COc1nn(C)c(C)c1NC(=O)NCCCN1CCCc2ccccc21 95512647 BIDRGCVCNGHUIO-UHFFFAOYSA-N 357.458 2.702 0 50 FFAA C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)[C@H]1OCCc2sccc21 292690831 GVBPZGABEWFKHI-KBXCAEBGSA-N 372.494 2.527 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCCc3cccs3)CC2)c1 95364303 QSTFBBQNMLXHPR-UHFFFAOYSA-N 357.523 2.928 0 50 FFAA OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1C1CCCC1 22914155 MGVXCKVXBODCOW-FQEVSTJZSA-N 354.498 2.888 0 50 FFAA c1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc(N2CCOCC2)c1 95519252 GHEOQNLMHBAYDX-RBBKRZOGSA-N 355.526 2.829 0 50 FFAA COc1ccc(-c2cn(CC(=O)c3ccc4c(c3)OCO4)c(=N)n2C)cc1 334157503 CZLXXEWHAAZRDX-UHFFFAOYSA-N 365.389 2.593 0 50 FFAA CCc1ccc(CN2C[C@@H]3c4cccc(OC)c4OC[C@]3(C(=O)O)C2)o1 95356435 FWNAXYUGKXHWIE-OXQOHEQNSA-N 357.406 2.913 0 50 FFAA CCCn1cnnc1CNC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 244691602 JFTRWTPRACOSAV-SFHVURJKSA-N 359.449 2.671 0 50 FFAA CC[C@@H](C(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 299266739 LBVWRZZYEVYINR-LJQANCHMSA-N 352.482 2.643 0 50 FFAA CC[C@H](C(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 299266736 LBVWRZZYEVYINR-IBGZPJMESA-N 352.482 2.643 0 50 FFAA O=C(CCCC(=O)N1CCC(N2CCC[C@H](CO)C2)CC1)c1ccccc1 299757193 IXGFYDWRZWUPLA-SFHVURJKSA-N 372.509 2.735 0 50 FFAA O=C(O)[C@H](C(=O)NCc1ccccc1CN1CCCC1=O)C1CCCCC1 299781089 VKNMGPUCGJVZJI-IBGZPJMESA-N 372.465 2.706 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H](c1cccnc1)N1CCCC1 299787938 ZCGHKHYAWMQDRH-IBGZPJMESA-N 367.428 2.593 0 50 FFAA Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cccc1-c1nncn1C 827693368 VJWFOKTVFYBAQT-CQSZACIVSA-N 367.453 2.520 0 50 FFAA CCS(=O)(=O)NC[C@H](C)N1CCC(Oc2cccc(Cl)c2)CC1 823412725 MDJNJOVIUQISEY-ZDUSSCGKSA-N 360.907 2.511 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)NCCOc1cccc2ccc(C)nc12 584890370 LFBRDYXDVTXMPT-UHFFFAOYSA-N 369.425 2.845 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)NCc1n[nH]c2c1CCCCC2 670453162 WOLPALXPLQLRAU-UHFFFAOYSA-N 365.437 2.978 0 50 FFAA NS(=O)(=O)c1ccc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1336489645 CJJHHKJQKJXMRU-CYBMUJFWSA-N 365.886 2.926 0 50 FFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 952977292 XPHMNZWYOPWJLE-OAHLLOKOSA-N 366.527 2.748 0 50 FFAA Cc1cc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)nc(C)n1 952969725 COLNCWYOBHZOMD-VIFPVBQESA-N 355.364 2.683 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)N(C)CCn1ccc2ccccc21 952973472 CSPBMYCBHPNYAT-LJQANCHMSA-N 352.434 2.848 0 50 FFAA COc1cccc(SCC(=O)N2CCOc3ccc(CO)cc3C2)c1 952974577 ULKVWIDMTSAYRI-UHFFFAOYSA-N 359.447 2.701 0 50 FFAA O=C(CCc1ccccc1)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565509441 JGOIGMYNZIGXHR-OALUTQOASA-N 369.417 2.670 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CCn2cnc3sccc3c2=O)n1 167472897 PRRVAZPQIHAYEK-INIZCTEOSA-N 368.462 2.915 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 276065333 UHWQGHVTEJEZTM-UXHICEINSA-N 353.466 2.628 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)NCCc2ccc(Cl)s2)CC1 192462468 ZGFLGASJNWKTKL-UHFFFAOYSA-N 364.920 2.553 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2cc(-c3ccncc3)no2)C1 1506398544 DJYAHQBBADGKRH-HNNXBMFYSA-N 351.410 2.565 0 50 FFAA CCOc1ccccc1CN(CC)S(=O)(=O)N1CCC[C@H](COC)C1 1506404254 YWTFVERXKOECCF-INIZCTEOSA-N 370.515 2.510 0 50 FFAA COc1ccc(C)cc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529169464 ZPPZRVSRAUEIQD-UYAOXDASSA-N 366.461 2.902 0 50 FFAA CCc1c(C)nn(CC(=O)N2CCC(Cc3ccc(O)nc3)CC2)c1C 1772816012 DHMPCQJZXXWNSF-UHFFFAOYSA-N 356.470 2.644 0 50 FFAA O=C1C[C@@H](NCc2nc3ccccc3[nH]2)CN1CCc1ccc(F)cc1 12301832 YNTDJYLYRIZKGG-MRXNPFEDSA-N 352.413 2.635 0 50 FFAA O=C(CCc1ccco1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12453210 QVWCXADERWYUDP-QGZVFWFLSA-N 354.454 2.767 0 50 FFAA CCN1CCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)CC1 12467026 KYRBYQJWNARHAX-UHFFFAOYSA-N 365.437 2.853 0 50 FFAA O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCOCC1 12653742 POGUJMYEESQTCM-LJQANCHMSA-N 369.461 2.574 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccco1)C2 14747043 YPSQZNGWBVGWMA-HNNXBMFYSA-N 356.470 2.769 0 50 FFAA CC(C)(C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 16649126 CBKJZSMWTYVTNK-UHFFFAOYSA-N 352.500 2.709 0 50 FFAA CNS(=O)(=O)c1cc(-c2ccc(N3CCC[C@@H](C)C3)nn2)ccc1C 16652269 RINSIYBVCNERCF-CYBMUJFWSA-N 360.483 2.596 0 50 FFAA Cc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)c(F)c4)CC3)nn2)n1 169777301 XGMAERIDOCYGRW-UHFFFAOYSA-N 370.388 2.561 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1 1857712605 RPXBATRUXOMKOR-XLIONFOSSA-N 364.449 2.516 0 50 FFAA O=C(Cn1ccc2ccccc21)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 219897556 SCWMOWYAFMJAPS-MSOLQXFVSA-N 351.450 2.501 0 50 FFAA CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 2243012 WRWKLZMOFAMVPZ-BPUTZDHNSA-N 364.442 2.553 0 50 FFAA in-vitro Cn1cc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)c(C2CCCCC2)n1 333239955 DPJXKCMPYJKCBZ-MJGOQNOKSA-N 374.529 2.826 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCOc1ccccc1Br 237383271 SQOOXIGBOQWCMO-CHWSQXEVSA-N 355.276 2.946 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 238041691 ITSDPERIAIGARK-CYBMUJFWSA-N 363.801 2.788 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 369004064 XTJBXBKVIWFJDE-HNNXBMFYSA-N 360.776 2.964 0 50 FFAA Cn1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)c(-c2ccccc2Cl)n1 375397271 JLROZLWSAJOYRR-DOTOQJQBSA-N 372.856 2.528 0 50 FFAA NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CCc2ccc(OC(F)F)cc2)C1 264881629 UWXGOGDEQVQRTB-OAHLLOKOSA-N 374.387 2.911 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)Cc3ccc4ccccc4c3)C[C@@H]12 1704327348 RUAKFMRNIZGIGS-IFMALSPDSA-N 352.478 2.688 0 50 FFAA CCc1oc(C(=O)N2C[C@H](c3n[nH]c(COC)n3)[C@@H](C3CC3)C2)cc1C 952848024 FKNLCTCFJYKFSZ-KGLIPLIRSA-N 358.442 2.681 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)CC1 1875371780 LYLBBAZZGYHFML-UHFFFAOYSA-N 364.848 2.905 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(Cc3c(F)cccc3Cl)C2)C1 1875371695 JLINQKOJYBTRMR-AWEZNQCLSA-N 364.848 2.905 0 50 FFAA Cc1ccc(OCCNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c(C)c1 1875314639 JZJYIKRNIPQYGF-CABCVRRESA-N 357.454 2.868 0 50 FFAA CC(F)(F)c1ccc(CNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)nc1 1875312049 GUYQYPOLQUMTKL-FQEVSTJZSA-N 373.403 2.658 0 50 FFAA Cc1ccc(CCC(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1Cl 1875403645 XGNBFEUDRAWYLP-CGTJXYLNSA-N 361.873 2.733 0 50 FFAA CCN1CCO[C@@H](CN[C@@H]2CCc3ccc(F)cc32)[C@@H]1c1nccn1C 886027233 PBADJLXYQPUITE-CEXWTWQISA-N 358.461 2.598 0 50 FFAA O=S1(=O)CCC(O)(CN2CCCC[C@H]2Cc2cccc(Cl)c2)CC1 886044863 IJGASSVDFLLESU-KRWDZBQOSA-N 371.930 2.677 0 50 FFAA COCc1nn2c(=O)c(Cl)c(C)[nH]c2c1-c1ccc(OC)c(OC)c1 9261122 PYLAQOUVXATBOL-UHFFFAOYSA-N 363.801 2.815 0 50 FFAA Cc1cc(S(=O)(=O)N(C)c2nncs2)cc(C)c1Br 2325771119 XEHFAXPBEAWNIC-UHFFFAOYSA-N 362.274 2.743 0 50 FFAA COC1(CC(=O)N[C@@H](C(=O)O)c2cccc(-c3ccncc3)c2)CCC1 2325802893 CUDPEKOWQALDQI-GOSISDBHSA-N 354.406 2.950 0 50 FFAA CC(C)n1cc(-c2ccccc2)nc1NC(=O)c1n[nH]c2c1CC[C@H](N)C2 2325858488 PLGNRWFARPLWAP-AWEZNQCLSA-N 364.453 2.922 0 50 FFAA COc1cc2c(cc1CN1CCC[C@]3(CCc4c[nH]nc43)C1)OCCO2 2356143853 YMDLRXTVEVIRGX-FQEVSTJZSA-N 355.438 2.670 0 50 FFAA CCOc1ccc(-c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3n2)cc1 8564602 DUPVOTFZHNPUEB-LFIBNONCSA-N 367.405 2.904 0 50 FFAA CCN(CC)[C@H](CNC(=O)Nc1cc(N(C)C)ncn1)c1ccsc1 225849821 MTFKXZXFRFUTFU-CQSZACIVSA-N 362.503 2.809 0 50 FFAA CC[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc(C)c(C)s1 67446757 PIWOZMIWCTTYQP-CQSZACIVSA-N 356.451 2.888 0 50 FFAA CCCCN(Cc1ccco1)C(=O)c1cc(S(N)(=O)=O)ccc1C 55225122 OEPDACMZTLNAAT-UHFFFAOYSA-N 350.440 2.678 0 50 FFAA CC(C)c1nc([C@@H](C)NS(C)(=O)=O)n(-c2cccc3cccnc23)n1 65424811 HLNRNOMQSIWPPL-GFCCVEGCSA-N 359.455 2.549 0 50 FFAA Cc1ccc(NC(=O)[C@@H](C)NC(=O)CCc2c(C)nn(C)c2C)c(F)c1 65371079 KNGRLTKMPWEFCD-CYBMUJFWSA-N 360.433 2.560 0 50 FFAA COc1ccc([C@@H](C)NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1 170624803 YGJMEMYZCKENSQ-GFCCVEGCSA-N 364.401 2.763 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(C)[C@@H](C)c3cccs3)no2)CC1 67867212 MBYJKMFOLZYPGV-AWEZNQCLSA-N 362.499 2.707 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)c1coc(COc2ccccc2F)n1 67982952 CHLOSCCLCIIRID-UHFFFAOYSA-N 360.345 2.746 0 50 FFAA CN(Cc1ncc[nH]1)C(=O)c1cc(COc2cccc3cccnc23)on1 67675782 CSLVFGHIKYFICT-UHFFFAOYSA-N 363.377 2.797 0 50 FFAA CN1C(=O)CCc2cc(NC(=O)CCc3nc(-c4ccco4)no3)ccc21 171556585 QCNCGOYYEJINFI-UHFFFAOYSA-N 366.377 2.810 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)Nc3cscc3C)CC2)n1 123809075 LXOVNVARYLVNEF-UHFFFAOYSA-N 361.471 2.989 0 50 FFAA c1cc(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c2nonc2c1 1073278884 WCZHXFMIXKGQBU-CJNGLKHVSA-N 355.467 2.776 0 50 FFAA Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccc(C)o3)C2)on1 72476495 FWJDCJIPPQAYBV-QFBILLFUSA-N 357.454 2.940 0 50 FFAA O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc2nc(S)oc2c1 151200071 GGDXNPSMXBYIMR-CQSZACIVSA-N 359.451 2.780 0 50 FFAA COCCc1nc(CNC(=O)c2ccccc2Oc2ccccc2)no1 218870391 VGBAKPDVOFTFPE-UHFFFAOYSA-N 353.378 2.981 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(F)c(F)c(O)c2F)C1 364014649 OTQSJPAOGKIHIY-JTQLQIEISA-N 370.327 2.846 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc3c(s1)CCCC3)C2 1073341017 HPKBULXIBDIIGY-HIFRSBDPSA-N 361.511 2.845 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN(c2ncnc3ccccc23)CC1 72427337 UQEKZZIGXJNEHZ-UHFFFAOYSA-N 367.478 2.676 0 50 FFAA Cc1csc([C@H]2COCCN2C(=O)c2cc3ccccc3c(=O)o2)n1 369178511 LAQWHONLDQRDBE-CQSZACIVSA-N 356.403 2.772 0 50 FFAA O=C(CCNC(=O)c1ccccc1F)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219887867 DHCVEKASTQSRTN-LDTOTXGLSA-N 374.456 2.656 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 236933307 FMMZQOGSPVUYJX-HRCADAONSA-N 362.470 2.621 0 50 FFAA COc1cccc(OC2CN(Cc3cnc(N4CCCCC4)nc3)C2)c1 72153494 VTYLJJXOKPDKQT-UHFFFAOYSA-N 354.454 2.739 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2ccno2)CCC(=O)N1Cc1ccc(F)cc1 71764122 XBFLHHJOGVFQFB-INIZCTEOSA-N 359.401 2.713 0 50 FFAA CCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72130748 YDFXXEREZDBRBP-HXUWFJFHSA-N 367.493 2.789 0 50 FFAA CC[C@H]1C[C@H](C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 284752447 FKVYHSGGBTWDKD-FYQPLNBISA-N 360.498 2.722 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)ccc2s1 220663086 NQOOYSGDCJQDQZ-HACGYAERSA-N 356.451 2.580 0 50 FFAA COc1ccc(Nc2cc(N3C[C@@H](C)C[C@@H](C(=O)O)C3)ncn2)c(OC)c1 263208506 NFUAEEAMZAWPJV-QWHCGFSZSA-N 372.425 2.784 0 50 FFAA CC(C)CN1CCN(C(=O)c2cccc(-c3ncccc3N)c2)[C@H](C)C1=O 426465077 DFWYBNVLMUIQSI-OAHLLOKOSA-N 366.465 2.660 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC(Cn3ccnc3)CC1)cn2C 222271119 DSGDCQIWEWBQKV-UHFFFAOYSA-N 364.449 2.596 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 91858850 QRYKFMVWYMTBNJ-PKOBYXMFSA-N 368.481 2.742 0 50 FFAA COCc1ccc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)cc1 97815156 OLBABXOTGHCQKA-UHFFFAOYSA-N 353.466 2.965 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91690244 MMMQSIWZMQVGKU-LJQANCHMSA-N 355.482 2.553 0 50 FFAA CCc1nc(-c2ccc(C(=O)NCCc3ccc4c(c3)CCO4)cc2)n[nH]1 178510476 KHSCPUGBCNXHPU-UHFFFAOYSA-N 362.433 2.942 0 50 FFAA CC(C)(C)C(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91933991 SAPXCNZCUNJGIB-UHFFFAOYSA-N 356.474 2.610 0 50 FFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC(N2CCSCC2)CC1 97766637 UTTRVEYURUWHLM-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCC(O)(Cn2ccnc2)CC1)c1ccc(F)cc1 91604201 XNLWLYILAPKPIP-NRFANRHFSA-N 371.456 2.744 0 50 FFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1noc(C3CCCC3)n1)C2 95506735 BXIGHHQNARHYBR-OXQOHEQNSA-N 355.438 2.698 0 50 FFAA CCCCCOc1ccc(NC(=O)N2CCN([C@@H]3CCNC3)CC2)cc1 97681668 YGGPCQXVKIGTQX-GOSISDBHSA-N 360.502 2.767 0 50 FFAA CCc1cc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)cc(=O)[nH]1 97173064 FREGTCWXDMMDIS-UHFFFAOYSA-N 351.406 2.766 0 50 FFAA O=C(c1ccc(OC2CCN(Cc3ncon3)CC2)cc1)N1CCCCC1 95511781 JUNVCHSMZCEDDV-UHFFFAOYSA-N 370.453 2.739 0 50 FFAA COC(=O)CCc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1 334162943 IGLGMCPWKZQGIE-UHFFFAOYSA-N 363.417 2.671 0 50 FFAA CC(C)(C)n1nc(COc2ccccc2)nc1C[C@@H]1C=CS(=O)(=O)C1 95528582 YPSROSSQZBFBLA-AWEZNQCLSA-N 361.467 2.713 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244773837 PHKYHUHHSPSROJ-MGPQQGTHSA-N 367.371 2.551 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)c1C 244748582 OKCJXBAVMXRFNK-UHFFFAOYSA-N 372.469 2.534 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1nc(O)nc2ccccc12 253534789 CXZIYHXVSXXAFN-RWSFTLGLSA-N 355.419 2.639 0 50 FFAA Cc1ccc(CN(C)CC(=O)Nc2nnc([C@H]3CCCO3)s2)s1 252481567 COFLAEPVGSLPLF-GFCCVEGCSA-N 352.485 2.830 0 50 FFAA COc1ccc(C2(C(=O)N[C@H](CO)c3ccccc3)CCOCC2)cc1 253409475 LXCBDLDYGVLEDI-LJQANCHMSA-N 355.434 2.593 0 50 FFAA biogenic Cc1cccc(C)c1-n1nnnc1CN[C@H](C)c1ccc2c(c1)OCO2 182304382 OKOACSXFAZDAJA-CQSZACIVSA-N 351.410 2.859 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739521 PQCODHDNXMLPQY-VXGBXAGGSA-N 373.266 2.943 0 50 FFAA CC(C)(C)c1csc(CNC(=O)CCS(=O)(=O)c2ccccc2)n1 252494845 OGLNZLAVDMLLCB-UHFFFAOYSA-N 366.508 2.921 0 50 FFAA CCc1noc(CN(CC)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)n1 534667815 PIZSEWIWTGNUBC-HNNXBMFYSA-N 357.458 2.690 0 50 FFAA CSc1cccc(CN(C(=O)N[C@H]2CCS(=O)(=O)C2)C(C)C)c1 824941219 VSSHIOVSCGLJIJ-AWEZNQCLSA-N 356.513 2.516 0 50 FFAA C[C@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408504824 ZEWLCTNGWLRXNT-WDEREUQCSA-N 373.858 2.742 0 50 FFAA CSc1ccccc1-c1ccc(C(=O)N2C[C@H](CO)[C@@H](CO)C2)cc1 1565516505 JVSRXSKKNLGKQV-IAGOWNOFSA-N 357.475 2.748 0 50 FFAA CCO[C@H]1COCC[C@@H]1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 1565514756 LMNHVMWIHPWMEK-HKUYNNGSSA-N 370.449 2.544 0 50 FFAA CC1(C)COCCN1CCNC(=O)N1CC=C(c2ccccc2F)CC1 184650674 PKTPFQBGOLPTLD-UHFFFAOYSA-N 361.461 2.735 0 50 FFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@H]1CCCCS1(=O)=O 275504003 YPMYHZJZKSBIMZ-DAXOMENPSA-N 371.886 2.596 0 50 FFAA COc1cnccc1[C@H](C)NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 189738331 AEJJLZSQHKQRAC-ZDUSSCGKSA-N 369.400 2.975 0 50 FFAA Cc1nc(CN2CCN(C(=O)Nc3cnn([C@H](C)C4CC4)c3)CC2)oc1C 189717288 SSMSQRSSBZWNJF-CQSZACIVSA-N 372.473 2.809 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CC(C)(C)c3c(Cl)cccc32)C1 195032036 GSRRVUUVNFSWRM-CQSZACIVSA-N 363.889 2.565 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC2CCN(C(=O)c3cccnc3)CC2)n1 1506426405 HXHZBODEKACPMS-CQSZACIVSA-N 357.458 2.619 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(C2CCN(c3ccc(F)c(F)c3)CC2)CC1 1506400539 FUYBRKSRCQTPHP-UHFFFAOYSA-N 374.435 2.720 0 50 FFAA COCCn1cnnc1CN(C)Cc1cc(Cl)cc2c1OCC2(C)C 1529114266 NYWANHQIKADQHI-UHFFFAOYSA-N 364.877 2.880 0 50 FFAA CCc1nc(C)c(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)[nH]1 1529174343 UGPPXNSIHWBNML-OXQOHEQNSA-N 350.466 2.864 0 50 FFAA CC1=C(CN2C[C@@H]3CN(Cc4noc(C)n4)C[C@@]3(CO)C2)C(C)(C)CCC1 1772809089 LYADVRJLIARKOX-DYESRHJHSA-N 374.529 2.631 0 50 FFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(C/C=C/c2ccccc2)nn1 12430631 VCQKBRLFMFCZRL-JXMROGBWSA-N 364.453 2.776 0 50 FFAA CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 13944116 UNBXBXDVSIZRSD-WBVHZDCISA-N 357.454 2.789 0 50 FFAA CC(C)CN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 14978147 AKBUIFOAYQCAPY-UHFFFAOYSA-N 372.513 2.648 0 50 FFAA OCC1CCN([C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 19745987 UKAHGJANIRDBDZ-NRFANRHFSA-N 354.498 2.541 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772837 NUOPKMCGKXGGAZ-JTQLQIEISA-N 356.332 2.833 0 50 FFAA Cc1cc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3 1857668860 IFSRLJAZXRIHKV-HRAATJIYSA-N 352.434 2.959 0 50 FFAA C/C=C/CCCC(=O)N1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CC=CC3)C2)C1 1857703649 VAODUQZMDGRPIO-BFWZTTFHSA-N 374.525 2.901 0 50 FFAA COCCC[C@@]1(CO)CN(C(=O)c2cc3ccccc3s2)CC[C@H]1O 1857736802 WJPSLZXJABRPGR-MJGOQNOKSA-N 363.479 2.513 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)Cc3ccc(F)cc3)[C@H]3CC[C@]2(C1)O3 1875248898 WUKKKVVTKXMXRB-GPQLQYNLSA-N 372.484 2.930 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)N1 157555600 NFYAMZYZEGGLDR-HNNXBMFYSA-N 371.264 2.780 0 50 FFAA Cn1cc(C(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)c2ccccc21 1704342890 GEGHNHFXQMAFQU-NRFANRHFSA-N 361.449 2.671 0 50 FFAA O=C(NC[C@@]12CC[C@@](C(=O)O)(CO1)C2)c1ccccc1[C@@H]1CC1(F)F 1875300921 WBVYNJQQJPDHTE-JQFCIGGWSA-N 351.349 2.563 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCCc3c[nH]nc3C(F)(F)F)n[nH]c21 1875396928 XPVZWJDFGCTHHY-BDAKNGLRSA-N 371.363 2.536 0 50 FFAA C[C@H]1CN(C(=O)c2cc(C3(C)CC3)on2)C[C@H](C)N(C(=O)[C@@H]2C[C@H]2C)C1 1875407295 WUJXUKNFSRWLLG-LJISPDSOSA-N 359.470 2.691 0 50 FFAA CC(C)[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2)c1nc[nH]n1 2325779585 QFMBPJMBNXGVHW-YESZJQIVSA-N 354.454 2.586 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)[C@H](C)C3)cc2)c1C 2325780625 BRNYMBFMAHBRCZ-IUODEOHRSA-N 361.467 2.641 0 50 FFAA O=C1NC(C(=O)NCc2cc3c(s2)CCC3)=C[C@H](c2ccccc2)N1 2325815493 NXARSKNIOSKVHO-OAHLLOKOSA-N 353.447 2.791 0 50 FFAA Nc1ccnc2c1CN(CCc1nc(-c3ccc(Cl)cc3)no1)CC2 931512258 HUBRLWXXEBJLBU-UHFFFAOYSA-N 355.829 2.968 0 50 FFAA Cc1nc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2s1 1087991 ZUWSYXWUGSZAGO-UHFFFAOYSA-N 362.432 2.812 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)NC[C@H](O)c3cccc(O)n3)oc12 2356156668 MBPBRWYNXVEUMI-LBPRGKRZSA-N 362.769 2.659 0 50 FFAA CCc1cc(N2CCC3(C=C(C)CCO3)CC2)nc(N2CCOCC2)n1 2356162901 SOCDTOIPKSOVEP-UHFFFAOYSA-N 358.486 2.581 0 50 FFAA CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C1C 2926340 AHWLLKNPAVJUIZ-HNNXBMFYSA-N 352.818 2.890 0 50 FFAA CCCNC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 3002950 IWDFEMNNLZERCC-UHFFFAOYSA-N 351.447 2.852 0 50 FFAA O=C(c1ccc2nnc(C(F)F)n2c1)N1CCOCC2(CCCC2)C1 1324141064 UYUCFNVWBQRFCU-UHFFFAOYSA-N 350.369 2.700 0 50 FFAA O=C1c2cccc3cccc(c23)C(=O)N1CC(=O)n1nnc2ccccc21 4070871 PYMAAOANBINUDS-UHFFFAOYSA-N 356.341 2.521 0 50 FFAA O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 4664611 XLRYNLAQFRRTLC-PELKAZGASA-N 355.272 2.970 0 50 FFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NC1CCCCC1 8112882 YLXVKCCAZLPHTO-UHFFFAOYSA-N 364.511 2.853 0 50 FFAA O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1CCCOc2ccccc21 110265653 YVYCYSSAVYBFFW-QGZVFWFLSA-N 350.418 2.996 0 50 FFAA COc1ccc(CC[C@H](C)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1O 225425116 LNESKZYFDMPGJL-WMLDXEAASA-N 374.456 2.795 0 50 FFAA COc1ccc2onc(CC(=O)N3C[C@H](OC)Cc4ccccc43)c2c1 415630946 OFZOUYWMYWBXCW-OAHLLOKOSA-N 352.390 2.983 0 50 FFAA Cc1nccn1-c1ccc(N2CCC(N3CC[C@H](N(C)C)C3)CC2)cc1 23429380 IVQGQKCZIFLKAR-NRFANRHFSA-N 353.514 2.785 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 29899855 AUKDYGOGBLPRFL-ZDUSSCGKSA-N 374.238 2.513 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCc3cccc(C)n3)nc2)C1 20419205 WSOSWOIJXLJQAF-INIZCTEOSA-N 354.454 2.896 0 50 FFAA Cc1ncsc1CCNC1CCN(c2ccc(-n3cncn3)cc2)CC1 23339545 PULAEJUECOKUFV-UHFFFAOYSA-N 368.510 2.833 0 50 FFAA CCc1ccccc1N1C[C@H](C(=O)N2CCC(CC)(CO)CC2)CC1=O 134599218 ZVRGIFWDBLUXDQ-QGZVFWFLSA-N 358.482 2.613 0 50 FFAA Cc1nc(CCC(=O)NCc2cccnc2Oc2ccccc2F)n[nH]1 67771154 QYVXXZKUMLMIFU-UHFFFAOYSA-N 355.373 2.689 0 50 FFAA CC(C)c1nc(CNC(=O)c2cc(COc3ccccc3F)[nH]n2)no1 67846966 HDWROQJLFYDOML-UHFFFAOYSA-N 359.361 2.564 0 50 FFAA COc1ccc(-n2ccnc2[C@H]2CC(=O)NCc3nc4ccccn4c32)cc1 65458713 BYZCAPZQLYPSSW-INIZCTEOSA-N 373.416 2.680 0 50 FFAA OCC[C@H]1CN(Cc2cccc(O)c2)CCN1CCCc1ccccc1 22919576 QRGRGPDJCBUADK-NRFANRHFSA-N 354.494 2.894 0 50 FFAA Cc1ccccc1O[C@H](C(=O)N1CCC2(CC1)CN(C)CCN2C)C(C)C 67886674 YOTKDOWRMGBSPL-FQEVSTJZSA-N 373.541 2.637 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2cccn2-c2cccnc2)CC1 65532057 KWLKSRADFCXCFX-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA Cc1ncccc1OC1(C(=O)N(C)[C@H](C)c2nccs2)CCNCC1 65395633 GEXMGHIXNZDIPC-CQSZACIVSA-N 360.483 2.567 0 50 FFAA Cc1c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cnn1C 427140859 WASLDWJZZSELIX-UHFFFAOYSA-N 373.463 2.906 0 50 FFAA COC(=O)c1ccccc1NC(=S)N1CCN(c2ccccc2O)CC1 6397492 VGMWQKJGKKAIRJ-UHFFFAOYSA-N 371.462 2.698 0 50 FFAA COCc1nc(CNc2ccccc2CN2CCN(C(C)=O)CC2)cs1 435893721 OIHAMHSEJJSEBA-UHFFFAOYSA-N 374.510 2.566 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)c1 77541132 ZFLNBVXPMOVHEL-INIZCTEOSA-N 369.465 2.547 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(Cc2cnc(C3CC3)s2)CC1 328653539 WXHKAWXHHXQMFU-HNNXBMFYSA-N 372.542 2.879 0 50 FFAA Cc1nnc([C@H](C)Nc2nccc(N[C@H]3CCCO[C@H]3C(C)C)n2)s1 328624811 CPFCQIIWGWJNRV-WHOFXGATSA-N 362.503 3.425 0 50 FFAA O=c1n(Cc2ccc(F)cc2)nc([C@H]2CCCNC2)n1-c1ccccc1 71721492 DFHVSDGDJWTTCB-INIZCTEOSA-N 352.413 2.688 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)NCc1ccn(Cc2ccccc2)n1 328842457 QBUZHAYSLASITK-UHFFFAOYSA-N 362.499 2.530 0 50 FFAA CC(C)[C@@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)c1ccncc1 329264448 DUUDAPCYFJNXJY-LJQANCHMSA-N 353.470 2.739 0 50 FFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@](C)(c1ccccc1)C(F)(F)F 331071175 DANWATIAENKYQC-AWEZNQCLSA-N 361.389 2.793 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2c(OC)cnc3ccccc23)CC1 282650439 MMERCZZOUIFJBF-UHFFFAOYSA-N 357.410 2.594 0 50 FFAA COCCN1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 123529503 BTEZRCLVOQITBS-SFHVURJKSA-N 373.497 2.797 0 50 FFAA O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC2(CCNCC2)CN1 72146465 NBNVCHWLBXOANW-FQEVSTJZSA-N 365.477 2.827 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc(=O)[nH]c2cc(F)ccc12 219662505 DFBVGAREFISRDG-PSAKCFHXSA-N 370.424 2.991 0 50 FFAA Cc1ccc(-c2ccnc(N[C@H]3COC[C@@H]3N3CCCCC3)n2)c(C)n1 71639416 NWSQEPCLYDSLAQ-OALUTQOASA-N 353.470 2.821 0 50 FFAA COc1ccccc1CN(CCO)C(=O)[C@H]1CC[C@@H](c2ccccc2)O1 367309034 SSCPHVDWEMLQSA-VQTJNVASSA-N 355.434 2.936 0 50 FFAA COc1ccccc1CCC(=O)N1CCCN(Cc2ccncc2)CC1 77358575 XGECOFQLJDHRCH-UHFFFAOYSA-N 353.466 2.757 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCC[C@H](CCc2c(F)cccc2F)C1 72150459 HLTDTTBDXWKNED-OAHLLOKOSA-N 374.497 2.891 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cn1 131355406 KOPLXCKMKGLVAN-UHFFFAOYSA-N 363.820 2.841 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N3CCC[C@H](OCC4CC4)C3)cc2=O)cc1 368754795 YQRGIDAXYGIMCU-KRWDZBQOSA-N 355.438 2.505 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)c(=O)[nH]1 71764277 ISRFOODGRZNNNF-MRXNPFEDSA-N 355.438 2.715 0 50 FFAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(C1CCN(C)CC1)CC2 14540854 NPNBRZALLUHKRO-UHFFFAOYSA-N 362.518 2.558 0 50 FFAA Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)nnn1C 333935202 JGQSHIXMCCIJIC-ZACQAIPSSA-N 367.453 2.536 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC2(CC1)c1ccccc1C[C@H]2O 72173969 USSQLUUIHFFRPG-MRXNPFEDSA-N 371.458 2.610 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(=O)c1cnco1)CC2 221311383 MUPGZXYXRIRXOS-IBGZPJMESA-N 365.389 2.875 0 50 FFAA CC(C)CN1C[C@@H](C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1=O 223223898 HPPVRDAFBVVFBG-KBXCAEBGSA-N 356.470 2.881 0 50 FFAA CC(C)c1nncn1CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 175037544 KTWLXLSTYJBTBI-GOSISDBHSA-N 355.486 2.572 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 426501895 QOUQABNQMCZTNU-INIZCTEOSA-N 365.495 2.539 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1ccncc1Cl 222853667 UXBDBJJUSFEXKK-HZPDHXFCSA-N 350.777 2.840 0 50 FFAA Cn1c([C@@H]2CCCN(C(=O)NCCN3CCCC3)C2)nc2ccccc21 426683704 CWDCFZCIGMRYOZ-MRXNPFEDSA-N 355.486 2.558 0 50 FFAA COc1ccc(CNC(=O)N2CC(Oc3ccccc3C)C2)c(OC)c1 426597428 QHNVHNTXOLKLFY-UHFFFAOYSA-N 356.422 2.985 0 50 FFAA COC(=O)c1sccc1-c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 426678187 UPVNSWSAYLGIIM-CQSZACIVSA-N 372.446 2.552 0 50 FFAA O=C(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)Nc1ccccc1 95362074 RIZGPHYNLPMCLW-FXAWDEMLSA-N 350.466 2.617 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95358696 XBBDPEFWMJNIGG-MRXNPFEDSA-N 367.478 2.732 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@H](C(=O)O)c1cccc(F)c1F 95517454 JKNSBMLAGFCQJG-HNNXBMFYSA-N 357.259 2.564 0 50 FFAA CCN1CCC[C@]2(CCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)C1=O 91951667 JKBMKHVEPUFDKG-HXUWFJFHSA-N 358.486 2.932 0 50 FFAA CCCCC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 92022054 FIJSFQZXMXVDQD-UHFFFAOYSA-N 356.474 2.754 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)Cc3cccnc3)CC2)c1 95352057 IICVIEAXXMLTBO-IBGZPJMESA-N 366.509 2.650 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)[C@H]1CCCCCN1C 97213295 AWDUFNRYCRDARN-GOSISDBHSA-N 358.486 2.837 0 50 FFAA O=C(CN1CCc2ccccc21)N1CCC[C@@H](OCc2ccccn2)C1 91381962 SGTGWJHOAKVTBU-LJQANCHMSA-N 351.450 2.652 0 50 FFAA Cc1nc2c(c(NCCCN3CCC[C@@H](O)C3)n1)Cc1ccccc1OC2 97532403 FEGUZNFDULENDJ-QGZVFWFLSA-N 368.481 2.527 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 257198539 BZQIXJMPVGVZMR-DOTOQJQBSA-N 360.454 2.517 0 50 FFAA biogenic CCN(CC)[C@H](CNC(=O)N1CC(n2nc(C)cc2C)C1)c1ccco1 534583361 GZLJQMOBGGUITO-QGZVFWFLSA-N 359.474 2.742 0 50 FFAA CCCn1cnc2cc(NC(=O)N3CCC4(CC3)CNC(=O)O4)ccc21 299766753 RSMQXYYYEAIINW-UHFFFAOYSA-N 357.414 2.553 0 50 FFAA Cc1ccc(NC(=O)N(C)C2CCSCC2)cc1NC(=O)CN(C)C 299796479 ONKUXAOMJSPGRU-UHFFFAOYSA-N 364.515 2.854 0 50 FFAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C2 299781037 CYQOIZKAJXICLE-MRVPVSSYSA-N 351.765 2.593 0 50 FFAA CN(C)c1ccc(C(=O)NCCCN2CCC[C@@H](CO)C2)c2ccccc12 299800266 VLLVCAMTKFPOQY-QGZVFWFLSA-N 369.509 2.730 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c[nH]nc1-c1ccccc1F 299794159 IHGKIOAHXFKVBI-OAHLLOKOSA-N 372.444 2.589 0 50 FFAA Cc1cc(C(=O)NCc2ccc3nc(O)[nH]c3c2)cc2sc(N)nc12 827597813 PRHLQMDYWMDWFK-UHFFFAOYSA-N 353.407 2.699 0 50 FFAA Cc1ccnc(SCC(=O)NCCOc2cccc3cccnc23)n1 827846336 BRBGIQMAYSQSCP-UHFFFAOYSA-N 354.435 2.621 0 50 FFAA O=C(Nc1ccc2scnc2c1)c1cn(CC[C@@H]2CCCCN2)nn1 952970365 KKNDTUIEGPPURF-LBPRGKRZSA-N 356.455 2.672 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)c1nnc(O)c2ccccc12)N(C)C 952974799 BSFWKEAJVOYIMZ-AWEZNQCLSA-N 356.451 2.738 0 50 FFAA COC(=O)C[C@@](C)(NC(=O)c1cccc(OC)c1O)c1cccc(OC)c1 170602486 DZPUDXYAYAPMBU-HXUWFJFHSA-N 373.405 2.618 0 50 FFAA COC(=O)c1cccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1N 170619903 YMOGUZIPXIZRIT-LLVKDONJSA-N 360.797 2.899 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H](N)C2)c1C(F)(F)F 191337854 CGTWGSWGLPZEAL-GFCCVEGCSA-N 352.360 2.763 0 50 FFAA COc1ccccc1N1CC[C@@H](NCc2ccc3c(c2)sc(=O)n3C)C1 192619245 IJGYAIPUDUMKRR-OAHLLOKOSA-N 369.490 2.977 0 50 FFAA CCCc1ccc(S(=O)(=O)NC(=O)C(F)(F)C2CCOCC2)cc1 791764651 SVVQTDMPOARUJV-UHFFFAOYSA-N 361.410 2.506 0 50 FFAA Cn1nc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)c2c(Cl)cccc21 1616100193 UGCJCUGREBKICB-UGSOOPFHSA-N 356.857 2.657 0 50 FFAA COc1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(C)=O)cc1 667929 IMLUJTWQXHNHFI-CXUHLZMHSA-N 354.362 2.540 0 50 FFAA CCOc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)ccc1OC(C)C 1529180649 GNXJORKQMRYVNW-IEBWSBKVSA-N 373.497 2.939 0 50 FFAA O=C(c1ccnc(NC2CCN(C(=O)C3CCCC3)CC2)c1)N1CCCC1 1704353051 OVXITPJXQOMHRG-UHFFFAOYSA-N 370.497 2.911 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)c(F)n2c1 1775979889 PBQXRLZKJPZJLW-LJQANCHMSA-N 353.401 2.625 0 50 FFAA O=C(c1cccnc1)N(Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCCO1 13813955 RDBUXVRDUJERHU-GOSISDBHSA-N 363.417 2.745 0 50 FFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2C 14731595 HYGRLGZSFMLXQE-OAHLLOKOSA-N 359.470 2.722 0 50 FFAA Ic1ccc2[nH]nc(I)c2c1 14984750 YAWVPJHNPTVUBN-UHFFFAOYSA-N 369.931 2.772 0 50 FFAA O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 18142345 QPHLYDOHVBOKRT-GOSISDBHSA-N 369.852 2.794 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1Cl 169759956 KZHORTAPZDVRJD-UHFFFAOYSA-N 370.840 2.975 0 50 FFAA O=C(Nc1cccc(OCCO)c1)c1ccc(Nc2ncccn2)cc1 1857528493 UZLGLEYEBPOCGZ-UHFFFAOYSA-N 350.378 2.844 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccc(F)cn3)[C@H](C)C1)OCO2 1857670397 LZJJPTKUPVAHSU-CYBMUJFWSA-N 359.401 2.669 0 50 FFAA CCOc1ccc(OCc2nc([C@H]3CCc4ncnn4C3)n(CC)n2)cc1 1857679620 OGCZBUXWOYVPCB-AWEZNQCLSA-N 368.441 2.597 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cn3ccc4ccccc43)CC2)O1 1857697610 YYXGREMVBLUILE-MSOLQXFVSA-N 356.466 2.952 0 50 FFAA CC[C@@]1(C(=O)NCc2nonc2C)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1 1857709433 XIAHCOHMNOLUKF-ILZDJORESA-N 372.444 2.967 0 50 FFAA COc1cccc([C@@H](CNC(=O)Nc2ccc(OC(C)C)nn2)N(C)C)c1 225609485 JGTZDDIOUAQNSA-MRXNPFEDSA-N 373.457 2.697 0 50 FFAA C[C@H](C(=O)NCc1ccccc1F)N1CC[C@@H](CNc2ccccn2)C1 246061120 AIGYWSHSLOTRDB-CVEARBPZSA-N 356.445 2.659 0 50 FFAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCc1ccc2[nH]ccc2c1 365954572 LVKKKPNGCPKXII-MRXNPFEDSA-N 355.482 2.812 0 50 FFAA CCn1ccnc1CN(C(=O)COC1CCCCC1)[C@H]1CC12CCNCC2 261666478 OLDOFYZVTXURJS-SFHVURJKSA-N 374.529 2.723 0 50 FFAA CC1(C)C[C@H](NC(=O)c2cccc(-n3cncn3)n2)c2ccc(F)cc2O1 830436576 BXMXABRADRGCGV-HNNXBMFYSA-N 367.384 2.834 0 50 FFAA Cc1nc([C@H](C)NC(=O)N[C@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)[nH]c1C 1875278313 PMPOGCJUKYALPI-UMNHJUIQSA-N 370.379 2.771 0 50 FFAA CCN(C)C(=O)N[C@@H]1C[C@]2(C[C@H]1O)CN(Cc1ccccc1)[C@@H]2C(C)C 1875339564 OOTVNCNKJFQMPG-XCJLJZCSSA-N 359.514 2.698 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(F)(F)[C@@]3(CCOC3)C2)cc1 1875373560 GBZNGIBYHKSOHM-SFHVURJKSA-N 364.392 2.723 0 50 FFAA CNC(=O)[C@@]1(C)CCN(C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3)o2)C1 1875300832 RYUVDAUOMVVELC-BUXKBTBVSA-N 374.416 2.709 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2cc3c(s2)CCSC3)CC1 1875371017 LWGVIKPDFHEAAO-UHFFFAOYSA-N 350.509 2.578 0 50 FFAA Cc1nc2cccc(C(=O)N[C@H](c3cccs3)C3(CO)CCC3)n2n1 1875405372 FDGNMJDCKFNNHB-MRXNPFEDSA-N 356.451 2.733 0 50 FFAA Cn1nnnc1C1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 877941128 PSFIVWLMSITKBM-UHFFFAOYSA-N 369.473 2.612 0 50 FFAA O=C1CCCc2ccc(C(=O)N3CCC[C@H]([C@@]45CC[C@@H]4CCN5)C3)cc2N1 2325793085 DZQSETGGWGGMSK-KGVIQGDOSA-N 367.493 2.956 0 50 FFAA COC(=O)[C@H](NC(=O)c1cc2ccc(OC)cc2n1C)[C@H]1C[C@H]2CC[C@H]1C2 2325826964 QVHFWBBSILJYMA-LKTHJCGVSA-N 370.449 2.895 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(c3nccc(C)n3)CC2)cc1 2325889634 BASRKLKUXCIYNV-UHFFFAOYSA-N 364.449 2.954 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(OC(C)C)cc2)NC(=O)N1 1074524 FFLQNKYPYRSLTL-AEFFLSMTSA-N 374.437 2.824 0 50 FFAA Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 2064742 ZYXKIRJTRPUWBR-INIZCTEOSA-N 360.479 2.947 0 50 FFAA O=C([C@@H]1CCn2nccc2C1)N1CCC2(CC1)OCCc1sccc12 2356157447 LHAOONKEXXMMDX-CQSZACIVSA-N 357.479 2.598 0 50 FFAA COc1cccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)c1 4540669 DOMPWJKEWJGNRZ-UHFFFAOYSA-N 353.374 2.675 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 4867652 YAUDPXCUHWKDSH-MRXNPFEDSA-N 358.463 2.519 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(C3CCCCCC3)CC2)cc1 54992121 QDCDSGDMAVUGCX-UHFFFAOYSA-N 352.500 2.724 0 50 FFAA COc1ccccc1NC(=O)CSCc1nc2ccccc2c(=O)[nH]1 9060978 KRUWYHHFUCYFAL-UHFFFAOYSA-N 355.419 2.804 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 2807838 OHXPKCGZGQOYOK-SECBINFHSA-N 351.255 2.604 0 50 FFAA CC(=O)Nc1nc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)cs1 115456911 ZCPFOTPMKVSFIG-HNNXBMFYSA-N 358.467 2.843 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)Cc1nc(-c2ccccn2)no1 55119524 DQOPGOYUECCPSE-QGZVFWFLSA-N 368.393 2.706 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21 134661616 IHORXHJGKQCJPP-DAYGRLMNSA-N 356.495 2.612 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)nn(C)c1=O 67841995 IHNHVIKAKCLZFJ-MRXNPFEDSA-N 367.453 2.636 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCc1ccccc1)C2 20915646 YLXMFMFOSWMVAJ-QGZVFWFLSA-N 354.498 2.685 0 50 FFAA O=C(Nc1cnc2n1CCCC2)c1ccc2sc3c(c2c1)CCNC3=O 67841004 PVRYJCJOGHPODL-UHFFFAOYSA-N 366.446 2.972 0 50 FFAA Cc1ccc(-c2cn(CC3CCN(C(=O)c4cnc[nH]4)CC3)nn2)cc1 20542638 WQXRVLBSFYEGNF-UHFFFAOYSA-N 350.426 2.529 0 50 FFAA O=S1(=O)CC[C@H](n2cc(C3=CCN(CCc4ccccc4)CC3)cn2)C1 67966047 LPGRMCPNVQXYDA-FQEVSTJZSA-N 371.506 2.575 0 50 FFAA CCOC(=O)c1c[nH]c(NC(=O)N2CCOc3ccc(Cl)cc3C2)n1 23398916 ICSZFYPKWQWUHB-UHFFFAOYSA-N 364.789 2.666 0 50 FFAA O=C1CC2(CCN(C(=O)CCSCc3ccc(F)cc3)CC2)CN1 65372662 DFARVFCQCCHEHE-UHFFFAOYSA-N 350.459 2.578 0 50 FFAA CCN1C[C@H](CN(C)C2CCC3(CC2)CCN(C(=O)OC)CC3)CC1=O 67946859 YGWGXBQTJUIHLB-INIZCTEOSA-N 365.518 2.578 0 50 FFAA COc1ccc(CN2C[C@@H](c3nc(-c4ncoc4C)no3)CC2=O)cc1 351046291 ZTXMROSNUWJDAW-ZDUSSCGKSA-N 354.366 2.558 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@H](c2cccnc2)N2CCCC2)n(C)n1 65394638 KEOKPRIKCJXGFC-LJQANCHMSA-N 355.486 2.581 0 50 FFAA O=C(NC[C@@H]1CCCCO1)C1(Oc2ccc(Cl)cc2)CCNCC1 65397511 UDNQGRCMWXOTCU-INIZCTEOSA-N 352.862 2.526 0 50 FFAA CCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cn1 2809739 XIWOKSMVAXGKIA-UHFFFAOYSA-N 371.462 2.536 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2cccs2)C1 77406293 NTZARJQMLRRSFC-GFCCVEGCSA-N 369.450 2.607 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)n1 218977587 MEHIDZOMRXQSLQ-GFCCVEGCSA-N 367.375 2.617 0 50 FFAA CCC(C)(C)C(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72440503 VRUOKDAXQWCHJB-INIZCTEOSA-N 360.502 2.764 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 366058574 JGQSEEDNJTZGEA-IEBWSBKVSA-N 362.514 2.582 0 50 FFAA Cc1nccn1[C@@H](C)C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72430294 CJYSPJBWWJJPJP-HNNXBMFYSA-N 368.485 2.549 0 50 FFAA CCn1ccnc1CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@H]1CC12CCNCC2 261706289 JPFZNAODBAHMLJ-SQNIBIBYSA-N 374.529 2.721 0 50 FFAA C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 370998794 KPFBLPWQXUCBOF-UKRRQHHQSA-N 353.451 2.671 0 50 FFAA CC[C@@H](c1ccncc1)N(CC)C(=O)Cn1nnc(-c2ccccc2)n1 157275660 RTGLSIOIRQMHGY-KRWDZBQOSA-N 350.426 2.735 0 50 FFAA O=S(=O)(Cc1cccc(Cl)c1)N1Cc2cnnn2Cc2ccccc21 377383442 IFKXTMKQFCDMFP-UHFFFAOYSA-N 374.853 2.830 0 50 FFAA CCN(CC)[C@H]1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 127403362 DALGBTLKHUJFIU-KRWDZBQOSA-N 356.470 2.764 0 50 FFAA CCN1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 74906426 YOOYOJUDPSGAKG-LBPRGKRZSA-N 363.849 2.798 0 50 FFAA Cc1csc2c(N3CCCn4nc(CCC(=O)O)cc4C3)ncnc12 72411207 DTLPEJJVFMLFOY-UHFFFAOYSA-N 357.439 2.624 0 50 FFAA Cc1ccc(F)c(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1 82138549 LJGAJRMHWYUCQN-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA Nc1nc(=NCc2csc(-c3ccccc3)n2)cc([C@H]2CCOC2)[nH]1 426442466 AXUONYNEGLORTH-ZDUSSCGKSA-N 353.451 2.720 0 50 FFAA CCc1cccc(OC2CN(C(=O)c3cn4cc(Cl)cnc4n3)C2)c1 82134187 BBPVMXXUWDXIRK-UHFFFAOYSA-N 356.813 2.849 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)CCc1nc2ccccc2[nH]1 82108030 CPNXKJITBXQTTE-UHFFFAOYSA-N 362.393 2.599 0 50 FFAA Cc1csc(SCC(=O)N[C@H](C)c2nc(-c3ccccn3)no2)n1 222738150 YBATZYLMHMEZLF-SNVBAGLBSA-N 361.452 2.866 0 50 FFAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)cc2)[C@H]2CCO[C@H]21 222371884 FESZLGNHFTYBCS-IYWMVGAKSA-N 354.425 2.940 0 50 FFAA CCN(CC)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Cl)cc1O 82137288 JUMSZODIGZSWDO-STQMWFEESA-N 371.840 2.650 0 50 FFAA O=C(NCc1noc(Cc2cccs2)n1)[C@H]1COc2ccccc2C1 91364568 YAVXSSCSCOCMFZ-CYBMUJFWSA-N 355.419 2.589 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)cnc2ccnn12 97492421 BHDZBYLHVLUQQX-CYBMUJFWSA-N 354.435 2.834 0 50 FFAA COc1cc(C)cc(OC)c1[C@@H](C(=O)O)N(C)Cc1c(C)nn(C)c1C 95357533 WSBWQTBLBYPWSY-SFHVURJKSA-N 361.442 2.620 0 50 FFAA CCc1cc(Br)ccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239235379 VWFCAVRTTGYKGQ-AAVRWANBSA-N 366.211 2.604 0 50 FFAA COCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)n1 96151130 AZMCAIMSSAVTOJ-AWEZNQCLSA-N 373.457 2.912 0 50 FFAA COc1ccc(N2CCN(C(=O)Nc3ccccc3OC)CC2=O)cc1 91846045 KHVBMENDMVHWMP-UHFFFAOYSA-N 355.394 2.585 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2cccc(C)c2)CC1 91468696 WVKSEBZSXAZHQX-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91616328 ZHVUQSGQFWLQJG-ZIAGYGMSSA-N 360.893 2.527 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)Cn2cccn2)C3)cc1 96140583 KOTSCBPHEONPJG-CQSZACIVSA-N 365.437 2.503 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCN2Cc3ccccc3C2)C[C@H]1c1ccccc1 91690847 KBNWDJCOMFGLQT-VQTJNVASSA-N 364.445 2.719 0 50 FFAA O=C(CCN1Cc2ccccc2C1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91390861 UBJJZMUGLUMLMD-FQEVSTJZSA-N 364.489 2.976 0 50 FFAA CCn1cnnc1CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91893126 YRFGTIXYGXJWKA-UHFFFAOYSA-N 367.497 2.703 0 50 FFAA COc1ccccc1-c1noc(CCc2nnc3ccc(Cl)nn23)n1 98095633 SVDGHRYRACHNOM-UHFFFAOYSA-N 356.773 2.622 0 50 FFAA Cc1nc2cc(-c3nc(CC4CCN(C)CC4)nn3CCO)ccc2s1 96138500 GQAQQFKMBIAULW-UHFFFAOYSA-N 371.510 2.740 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cc(OC)nc2ccccc12 97732387 GZCIGOYAJUFUDW-UHFFFAOYSA-N 371.466 2.685 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(=O)n2cc(Cl)ccc2n1 294285085 UOXUIWZYEWZQQW-CQDKDKBSSA-N 361.829 2.566 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(CCC(=O)Nc1ccsc1C(=O)O)C2 244774252 PQOMRABCLSPQNV-UHFFFAOYSA-N 374.466 2.779 0 50 FFAA COc1ccc2nc(CCNc3cc([C@H]4C[C@@H](N)C4)nc(C)n3)[nH]c2c1 253378413 FCNWVMUOFBQDDJ-BETUJISGSA-N 352.442 2.529 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1ccoc1C)CC2 299742652 ICAGESDFAONBKQ-OAHLLOKOSA-N 359.378 2.820 0 50 FFAA CCc1nc(CNC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)n[nH]1 297216705 DVYQVUBPJYSJGB-UHFFFAOYSA-N 372.404 2.737 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NCc1nc2cc(OC)ccc2o1 534584942 CWSMEPAUDAZCOL-UHFFFAOYSA-N 357.414 2.692 0 50 FFAA Cn1ccnc1[C@H](NC(=O)Nc1ccccc1CN1CCOCC1)C1CC1 299763958 ZLMUTMBWMUOKPE-GOSISDBHSA-N 369.469 2.525 0 50 FFAA COc1cc(C)ccc1CN1CCn2nc(CNC(=O)C3CCC3)cc2C1 299799168 PVAPPMXCJAORHV-UHFFFAOYSA-N 368.481 2.632 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2noc3c2CCCC3)c(OCCCN)c1 299755615 AXRPRBVSVBYPKT-UHFFFAOYSA-N 357.454 2.862 0 50 FFAA CN1CCCC[C@@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052092 CIIVSHZTAFOACP-GOSISDBHSA-N 358.486 2.534 0 50 FFAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(CSc2ccccn2)cc1 828157801 VOSGKGPOLQRSJR-IAGOWNOFSA-N 367.474 2.924 0 50 FFAA CC(C)c1nc(CN(C)C(=O)N[C@@H]2CCCN(c3cnccn3)C2)cs1 584887391 MNDMHKLCJMBZEZ-CQSZACIVSA-N 374.514 2.867 0 50 FFAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)CN(C)Cc1ccccn1 952872170 IMBMKLUSAZTPDI-UHFFFAOYSA-N 354.454 2.599 0 50 FFAA CCCN(C(=O)Nc1ccccc1CCC(=O)NC)[C@H]1CCCC[C@@H]1O 1565509627 KDKDUEVRGVBWLD-ROUUACIJSA-N 361.486 2.913 0 50 FFAA CCN(CC(N)=O)c1nc(-c2cccnc2)nc2sc3c(c12)CCC3 302670513 DLLJIJVDXUJSJV-UHFFFAOYSA-N 353.451 2.554 0 50 FFAA COC[C@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc(C)o1 185884974 GSSXCWNJQMLMCY-ZDUSSCGKSA-N 350.396 2.536 0 50 FFAA Cn1ccs/c1=N\C(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O 170618254 YZDYPTSRKLXBIV-FQWVMZTNSA-N 370.261 2.874 0 50 FFAA C[C@@H]1CCN(C)c2ccccc2N1Cc1csc(CS(C)(=O)=O)n1 170648594 ORMNRDOOZBWIJS-CYBMUJFWSA-N 365.524 2.923 0 50 FFAA O=C(c1cnc(-c2ccc3c(c2)CCO3)s1)N1CCO[C@@H](C(F)F)C1 194135992 GRMXIWNUCFHWRS-CYBMUJFWSA-N 366.389 2.851 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)[C@H]1CCCN(Cc2ccccc2)C1 194931105 MVXGWWFYCLZXHV-PMACEKPBSA-N 366.461 2.711 0 50 FFAA O[C@H]1CN(Cc2cccc3c2oc2ccccc23)CC[C@@H]1N1CCOCC1 1614377264 VSLHPEMTUZNQOR-PMACEKPBSA-N 366.461 2.853 0 50 FFAA CCOc1ccc(CCCNC(=O)N2CC[C@H](N)C[C@@H]2C)cc1OCC 1615698928 IGXQOBVHLWXLLS-RDJZCZTQSA-N 363.502 2.938 0 50 FFAA COc1ccc(NC(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1Cl 1529190216 GQDHRZUVOYOPMH-GDBMZVCRSA-N 365.861 2.676 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]2O)n[nH]1 1704347198 JHXTWLFGWSQKSC-ABAIWWIYSA-N 354.237 2.701 0 50 FFAA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)N2CCCC2)s1 1112535 XJQCZQJEEUHRIM-CMDGGOBGSA-N 374.491 2.905 0 50 FFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 12075423 CHXWIMJTRIFXRS-GOSISDBHSA-N 370.541 2.817 0 50 FFAA O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCCC1 12297045 YYELYKWKIWFADJ-UHFFFAOYSA-N 354.454 2.638 0 50 FFAA biogenic CC(=O)NCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12463569 QJXCKPMHZPMPJN-SFHVURJKSA-N 354.454 2.509 0 50 FFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1C 12593945 BAHILGOKMXAKLV-QGZVFWFLSA-N 369.465 2.938 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(OC)n1 12716597 SXPNOAZLFWSBNW-KRWDZBQOSA-N 369.465 2.835 0 50 FFAA CC(C)Cn1cc(C(=O)NCc2ccccc2)c(=O)c(C(=O)NC(C)C)c1 14975158 DXXRYDTYKMQTGP-UHFFFAOYSA-N 369.465 2.573 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)COC)C1 15075849 IXPPHASZMFHOLA-SFHVURJKSA-N 353.846 2.701 0 50 FFAA CCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19929002 ZYVDIZZZQSQBSY-UHFFFAOYSA-N 374.506 2.982 0 50 FFAA O=C1C[C@H]2CN(Cc3ccccc3OCCCCN3CCCCC3)C[C@H]2N1 1857720497 WTHNBVVMENXTPA-VQTJNVASSA-N 371.525 2.652 0 50 FFAA CCn1cnnc1C1CCN(C(=O)CCc2c(C)noc2Cl)CC1 331379830 DYCLAQULUFKQSE-UHFFFAOYSA-N 351.838 2.587 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 237635148 GGEYFAWHHXHYTM-DTWKUNHWSA-N 356.797 2.859 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2c(Cl)cccc2OC)C1=O 163774141 DLXYANOJESBVQC-CYBMUJFWSA-N 374.824 2.893 0 50 FFAA CC[C@@](O)(C(=O)NC[C@H](O)Cc1cccc(F)c1)c1cccc(Cl)c1 833179858 APKKFVSRORAWBN-MJGOQNOKSA-N 365.832 2.797 0 50 FFAA CN(C[C@H](O)CN1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)C1CC1 952891146 BEVLALQFWSVKTF-FQEVSTJZSA-N 368.525 2.712 0 50 FFAA CC[C@H](C(=O)NCc1nc(C(C)(C)O)n[nH]1)c1cccc(C(F)(F)F)c1 1875297235 HWGSERCWWYXCKY-LBPRGKRZSA-N 370.375 2.861 0 50 FFAA O=C(N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1)[C@@]12CCC[C@H]1C2(F)F 1875296127 GNNGCKVPNCUICB-CRAIPNDOSA-N 373.407 2.556 0 50 FFAA Cc1nc2nccnc2cc1-c1ccc(OCCN2CCN(C)CC2)cc1 1875267553 VSEVNFSAMDZFDY-UHFFFAOYSA-N 363.465 2.626 0 50 FFAA CCc1cncc(C(=O)N(C)CCN(C)C(=O)C[C@@H](C)c2ccco2)c1 1875327601 BFXLQLBHHNACDJ-OAHLLOKOSA-N 357.454 2.961 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1Nc1nccn2cncc12 1875398312 LEGZODILZSFNIX-SZVBFZGTSA-N 374.448 2.844 0 50 FFAA CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)C1(c2ccncc2)CC1 1875301053 BHDDIDQSOCUDTI-KRWDZBQOSA-N 351.406 2.597 0 50 FFAA N[C@@H]1CCC12CCN(C(=O)C1(Cc3ccc(F)cc3)CCOCC1)CC2 1875315827 JHQIOWJDKFBBKM-GOSISDBHSA-N 360.473 2.895 0 50 FFAA Cc1cc(N2CCC(NC(=O)c3cc(Cl)nc(Cl)c3)CC2)ncn1 1875365769 XHDLOCZODHBEAS-UHFFFAOYSA-N 366.252 2.886 0 50 FFAA C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1875336313 CKACQNJALRBTIM-IXDOHACOSA-N 352.519 2.983 0 50 FFAA CO[C@H](C(=O)N[C@](C)(CC(=O)O)c1cccnc1)c1ccccc1Cl 1875315714 FEAZMDCVDKMNOI-FUHWJXTLSA-N 362.813 2.929 0 50 FFAA O=C(NC1C[C@H]2CC[C@H](C1)C2)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1875341216 LFLBUBGQBRKDNJ-ZQIUZPCESA-N 370.449 2.506 0 50 FFAA COC1(C(F)(F)C(=O)N(C[C@@H]2CCCO2)c2ccnnc2)CCCCC1 1875392335 WMSZTNUQLPEEOM-HNNXBMFYSA-N 369.412 2.973 0 50 FFAA Cc1nocc1CN1CC[C@](C)(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1 1875407088 SKOXFAGLMQXHNJ-PXCRPINLSA-N 351.450 2.650 0 50 FFAA CN(c1ccc(C(=O)N2CCCc3ccccc3C2)cc1)S(C)(=O)=O 2100483840 RTOJRJXWPPQMRF-UHFFFAOYSA-N 358.463 2.671 0 50 FFAA Cc1ccc2cc(C(=O)N3CCN(C[C@@H]4CCCCN4C)CC3)cnc2c1 2325772030 NYODUVFHXIRLAH-FQEVSTJZSA-N 366.509 2.785 0 50 FFAA NC[C@H]1CCCc2ccc(C(=O)Nc3nccn3Cc3ccncc3)cc21 2325779027 BTDQNXUBMRSOOK-GOSISDBHSA-N 361.449 2.957 0 50 FFAA COc1ccc(C[C@@](C)(CO)NCc2cn3c(n2)CCCCC3)cc1OC 2325788373 BKLGBPJVPGGVBU-NRFANRHFSA-N 373.497 2.710 0 50 FFAA NCc1ccccc1C1CCN(C(=O)c2sccc2-n2ccnn2)CC1 2325795656 RXCRFLZIFOELGP-UHFFFAOYSA-N 367.478 2.807 0 50 FFAA Cn1cc(CCNC(=O)c2[nH]nc3c2CNC3(C)C)c2ccc(Cl)cc21 2325857225 UGFLYWHNZMMLSU-UHFFFAOYSA-N 371.872 2.866 0 50 FFAA COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1Cl 1147973 YQVLAMOMVLXCNS-UHFFFAOYSA-N 368.842 2.574 0 50 FFAA c1ccc(CCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2204370 CRNJMJIRRMJGNJ-UHFFFAOYSA-N 361.434 2.764 0 50 FFAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cccc2ncsc12 2356148879 YIWKWBBUHVCAIN-UHFFFAOYSA-N 364.423 2.639 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2coc(-c3ccccc3)n2)C1=O 2356152208 DSEVCGBAHWGQSE-NRFANRHFSA-N 369.465 2.945 0 50 FFAA CC(=O)NCCCC(=O)Nc1nnc(COc2ccc(C)cc2C)s1 2356153235 XWSGJWPCQFOXEE-UHFFFAOYSA-N 362.455 2.589 0 50 FFAA CC(C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 2906903 DXOVSQISWKQADZ-UHFFFAOYSA-N 362.451 2.770 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2ccccn2)c(OCC)cc1C 4413179 VGZINLQGMYVFDR-UHFFFAOYSA-N 350.440 2.666 0 50 FFAA COc1cccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 6810880 IWJANRSVLVMZOO-QGZVFWFLSA-N 359.447 2.525 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCCCC1 9236806 SSAGGZCDSYEHPU-GFCCVEGCSA-N 351.244 2.815 0 50 FFAA COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 9342282 PZMHQSOQJXFMPS-LBPRGKRZSA-N 374.466 2.970 0 50 FFAA CCc1cc(N2CCC[C@H](NC(=O)[C@H](OC)c3ccccc3)C2)ncn1 112501191 WHCYKLPVWBPQKF-PKOBYXMFSA-N 354.454 2.512 0 50 FFAA CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO 20211423 MWSNPCFFVHDJAF-INIZCTEOSA-N 351.560 2.937 0 50 FFAA COc1ccc(OC)c(CN(C(=O)c2ccc(=O)[nH]c2)C2CCCC2)c1 55404390 ZQJGZJVPUDWGCO-UHFFFAOYSA-N 356.422 2.977 0 50 FFAA Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](C(C)C)CC3)cc12 114744496 XNXMSXWJPQPOOR-AWEZNQCLSA-N 350.488 2.724 0 50 FFAA CCC[C@H](C)c1nnc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)s1 55199426 CJVQAUGTIZWECU-VIFPVBQESA-N 359.459 2.677 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCCC[C@H]3CCc3ccccc3)c(=O)n2n1 102589333 VAJSPWIGZBKJGK-KRWDZBQOSA-N 364.449 2.959 0 50 FFAA COc1ccc(CN2CCN(CCc3ccccc3)C[C@H]2CCO)c(F)c1 104332522 UMLQBOZIEJLTRN-HXUWFJFHSA-N 372.484 2.946 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@H](C(C)(C)O)C3)n[nH]2)c1 67881026 PRZIBVIBVKBSGV-AWEZNQCLSA-N 373.453 2.620 0 50 FFAA C/C=C\C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)OCC 463387132 DJTRKGNKOGQVLS-DXTPNHAXSA-N 363.439 2.745 0 50 FFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(Nc3ncccn3)CC2)c1 55120590 DPTMHQMKILWICX-INIZCTEOSA-N 354.454 2.964 0 50 FFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 10112233 UKZFBJRUMMRESU-UHFFFAOYSA-N 355.799 2.936 0 50 FFAA COCCN1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 67788173 NEUYZMBIAFDIHI-SFHVURJKSA-N 366.889 2.598 0 50 FFAA CC(C)=CCn1ccc(-c2cccc(-c3c(C)n(C)c(=O)n(C)c3=O)c2)n1 23505223 MIASXTDOAXQLLX-UHFFFAOYSA-N 364.449 2.889 0 50 FFAA Cc1ccccc1C[C@]1(C2CCNCC2)NC(=O)N(C2CCCC2)C1=O 67884689 JLDVZTGVJCKQIO-OAQYLSRUSA-N 355.482 2.770 0 50 FFAA OCCOc1cccc(CN2CCN(c3nccc4ccccc34)CC2)c1 65410723 WXDZLYIBAQIAEG-UHFFFAOYSA-N 363.461 2.928 0 50 FFAA COc1ccc(-c2nc(CN(C)C[C@@H](O)CO)c(C)o2)c2ccccc12 67847696 BDOCQSGNKAXARK-CQSZACIVSA-N 356.422 2.597 0 50 FFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)no1 229682812 IYOXDWKYMYTZBT-YEWWUXTCSA-N 366.483 2.845 0 50 FFAA O=S(=O)(Nc1ncn(Cc2cccc(F)c2)n1)c1ccc(Cl)cc1 2779231 OCFQOOSAKQDDJX-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA O=S(=O)(CC12CCC(CC1)C2)N1CCC[C@H](c2nncn2C2CC2)C1 329646542 IYBXFAPZUOJVHM-CSLYMUCUSA-N 364.515 2.703 0 50 FFAA Cc1cccc([C@H](O)CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 121710492 HXKKSPDCKGEZFS-WOJBJXKFSA-N 366.461 2.840 0 50 FFAA O=C(Nc1cccc(Cl)c1-n1cccn1)N[C@@H]1CCc2[nH]ncc2C1 122193919 ZEOHLHYDUNONAV-GFCCVEGCSA-N 356.817 2.928 0 50 FFAA COc1ccccc1OCC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1 77355636 PPMJYJQEARAXMY-RBUKOAKNSA-N 368.477 2.939 0 50 FFAA Cc1nc2cc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)ccc2[nH]1 77380431 ZCTKGSCQRUPWHQ-UHFFFAOYSA-N 355.829 2.882 0 50 FFAA C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 151987344 BGHWZBWHMFRZOA-NVXWUHKLSA-N 373.497 2.804 0 50 FFAA O=C(c1ccccc1)[C@H]1CCCN(c2nc3nonc3nc2NC2CC2)C1 12584843 YYPOHMCIJWESSL-ZDUSSCGKSA-N 364.409 2.686 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 125637211 SLFMBCMBAPRCPP-WSWWRLHASA-N 373.456 2.670 0 50 FFAA Cc1ccc2cc(CN[C@H]3CCCN(Cc4noc(C)n4)C3)ccc2n1 364639995 WPBPBQUELOGTPM-SFHVURJKSA-N 351.454 2.989 0 50 FFAA O=C(Cc1ccccc1F)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 219266853 HUOGQFJFBOJQPI-FQEVSTJZSA-N 357.429 2.831 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(Cc3cc4ccccc4n3C)C2)n1C 72431521 ONMZHABEXFCJEA-KRWDZBQOSA-N 366.513 2.748 0 50 FFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(Cc3ncc[nH]3)CC2)n1 72148672 XGMIIOXGJPHMQH-UHFFFAOYSA-N 354.380 2.664 0 50 FFAA COCC[C@H]1CCCCN(CC(=O)Nc2ccc(Br)cn2)C1 332400457 ZSURWFJHASGPMY-CYBMUJFWSA-N 370.291 2.921 0 50 FFAA CO[C@H]1[C@H](NC(=O)c2ccc(F)cc2)c2ccccc2C12CCNCC2 72412343 VBMNSBZOAGXPTN-MOPGFXCFSA-N 354.425 2.947 0 50 FFAA C[C@@H]1C[C@H](CN)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 261919947 ZGQNQASEEFHDSQ-ZIAGYGMSSA-N 367.478 2.805 0 50 FFAA CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1cccc(OC)c1)C2 31829564 YYWBMCCQLKAXRR-UHFFFAOYSA-N 374.462 2.757 0 50 FFAA C[C@H](NC(=O)c1ccc2nccnc2n1)c1ccc(NC(=O)C2CC2)cc1 241644484 PRBXTCQZEFYHBX-LBPRGKRZSA-N 361.405 2.864 0 50 FFAA O=C1C[C@]2(CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)C2)Oc2ccccc21 334027963 ITLTXIRBOOXPQV-OQBJRAFVSA-N 370.449 2.764 0 50 FFAA O=C(NCC1CCN(C(=O)C2CC2)CC1)c1cccc([C@@H]2CCCNC2)c1 216439793 MVAUENCQBBRNDJ-HXUWFJFHSA-N 369.509 2.532 0 50 FFAA Cc1nn(C)cc1NC(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 172754185 RQNDNMIACNIXEQ-UHFFFAOYSA-N 356.407 2.876 0 50 FFAA CCCc1nc(N[C@H](C(=O)N(C)C)c2ccccc2)c2cnn(C)c2n1 72151182 LBWHXVNCKKFHFJ-INIZCTEOSA-N 352.442 2.557 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCCc2ccccc2)CC1=O 82135069 GCFYMBNLFBOPFD-UHFFFAOYSA-N 352.434 2.893 0 50 FFAA O=C(NCc1nncn1CCc1ccccc1)c1ccc(O)c(Cl)c1 223757075 GXHHKJOXAMECNX-UHFFFAOYSA-N 356.813 2.810 0 50 FFAA COc1ccc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1OC 263680038 GZJOMPUUNLBZPA-OAGGEKHMSA-N 361.438 2.881 0 50 FFAA COCCN1C[C@H](Cc2nc(-c3ccccc3)nc3c2CCC3)CC1=O 222885705 BMXCJHLCBVXFMQ-OAHLLOKOSA-N 351.450 2.670 0 50 FFAA O=C(NC[C@]1(O)CCCNC1)c1ccc(-c2ccc(O)c(Cl)c2)cc1 426722704 UQMSACLOTMCTOE-IBGZPJMESA-N 360.841 2.557 0 50 FFAA Cc1ccc(F)c(OCC(=O)NC2CCN(Cc3ccncc3)CC2)c1 178010618 VSHRVZKYGVVYKK-UHFFFAOYSA-N 357.429 2.689 0 50 FFAA COC(=O)c1cccnc1N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95355425 FMRVKFBDCHWGAE-QGZVFWFLSA-N 365.433 2.511 0 50 FFAA Cn1cc(-c2ccc(C(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)cc2)cn1 426530537 RWYWBHKDFVURJQ-OAHLLOKOSA-N 366.465 2.608 0 50 FFAA Cc1n[nH]c(SCCNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)n1 96133308 FGSIBPMARKLEDQ-CYBMUJFWSA-N 361.475 2.580 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3ccc4cccc(F)c4n3)C[C@@H]2N)cc1 91586089 XXOFEOPSUXLLLU-AEFFLSMTSA-N 365.408 2.949 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@H](c1ccccc1F)N1CCCC1 91974075 XMWNJUKZECIXMT-LJQANCHMSA-N 359.489 2.955 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 91409942 APELOYACSOHXNR-INIZCTEOSA-N 353.426 2.964 0 50 FFAA CCc1csc(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1 91873048 PVJAYILTHUXQAK-UHFFFAOYSA-N 363.527 2.793 0 50 FFAA CSc1nccc(N2CCC(NC[C@H](C)Oc3cccnc3)CC2)n1 95510105 FXLRTHHGEKHQIY-AWEZNQCLSA-N 359.499 2.619 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)NCCSC2CCCCC2)cc1 244633545 GETISRXRKFNHBN-UHFFFAOYSA-N 359.499 2.826 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC3(CCC(=O)NC3)CC2)cc1Cl 243885916 ADZBSWDOLNXDFR-UHFFFAOYSA-N 363.889 2.969 0 50 FFAA COc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1O 244882693 XWQIPRMIILFZNN-GQIGUUNPSA-N 369.417 2.578 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2cccc(F)c2F)[C@H]2C[C@@H](O)C2)cn1 244633606 GFTXPMOKWCAORC-KSMMKXTCSA-N 362.376 2.539 0 50 FFAA O=C(O[C@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@H]([C@H]1[C@@H]([C@@H]63)[C@H]7%10)[C@H]1[C@H]9[C@H]([C@@H]58)[C@H]4[C@H]12)C(F)(F)F 257358707 VWEHEQAELOIJAO-RJMCMZOBSA-N 372.386 2.688 0 50 FFAA CCc1oc(C(=O)NCc2[nH]cc(C)c(=O)c2C)cc1CN(CC)CC 534651064 QRJDECOTFSBSSD-UHFFFAOYSA-N 359.470 2.919 0 50 FFAA O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@H](c1ccccc1)C2 263617349 NIULNKLXFKJGSJ-KRWDZBQOSA-N 352.369 2.619 0 50 FFAA COc1ccc(C(=O)N[C@H]2COC3(CCCCC3)C2)cc1OCCCN 299799987 XKCFKJXGVIIVCU-MRXNPFEDSA-N 362.470 2.644 0 50 FFAA COC(=O)c1ccc(-c2ccc(C(=O)N3CCNC[C@@H]3C)cc2)cc1OC 584884124 LRBDTDGSXCLSNR-AWEZNQCLSA-N 368.433 2.583 0 50 FFAA COc1ccc([C@H](NC(=O)Cn2nc(C)cc2C)c2ccncc2)cc1 670442306 SOYAPFAPCFLTGH-FQEVSTJZSA-N 350.422 2.809 0 50 FFAA C[C@@H]1CCN(c2nnc(CN3C(=O)Cc4ccccc43)n2C)CC12CCC2 1340035984 PTZSSLWCTWONQU-OAHLLOKOSA-N 365.481 2.921 0 50 FFAA O=C(NCc1ccc(-c2ncon2)cc1)c1ccccc1N1CCOCC1 952979032 WPWUQBMPYIPMGG-UHFFFAOYSA-N 364.405 2.503 0 50 FFAA COc1ccc(F)c(F)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 952981186 GVPNYZOGIYBSGI-VIFPVBQESA-N 362.332 2.969 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)CN2[C@@H](C)CCC[C@H]2C)C[C@@H]1C(=O)O 1565527381 UEWIOCUWMIOLIK-ATLSCFEFSA-N 374.481 2.585 0 50 FFAA C[C@@H](CC(=O)O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 274959826 BIDHVIKLOUSANW-UWVGGRQHSA-N 365.373 2.615 0 50 FFAA C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCC(F)(F)F 170631842 VUFUZVFCCUXMTN-VHSXEESVSA-N 369.384 2.608 0 50 FFAA Cc1nnc(CCCS(=O)(=O)Cc2csc(CCC(C)C)n2)o1 170616697 ACEFYLOXSMHDMJ-UHFFFAOYSA-N 357.501 2.971 0 50 FFAA C[C@@H](Oc1cccc(F)c1)C(=O)NC1CCC(Oc2cnccn2)CC1 188281873 LLGKEOCWHZFFRN-IUDNXUCKSA-N 359.401 2.889 0 50 FFAA CN(CC1(O)CCCC1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189746573 BAVMEAKVJUIYMD-KRWDZBQOSA-N 352.425 2.693 0 50 FFAA C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1nnc2ccccn12 190079647 PYOHNBKHEXXYPP-GFCCVEGCSA-N 371.470 2.533 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)Nc1cc(F)cc(N2CCOCC2)c1 194797633 VTJTVEFLPQINOI-UHFFFAOYSA-N 354.385 2.720 0 50 FFAA CCc1cc(C(=O)N[C@H](CC)[C@H](O)c2c(F)cccc2F)cc(O)n1 778389939 KRGQDGAEGWJUBY-PBHICJAKSA-N 350.365 2.870 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(C(F)F)cc1)C(=O)N2 794874550 GUWAPTKBOJBPBS-NTUHNPAUSA-N 350.346 2.764 0 50 FFAA Cc1cccc(Cc2nnc(NC(=O)c3cn4cccnc4n3)s2)c1 1529113465 ZUKYDYCEIIIFPL-UHFFFAOYSA-N 350.407 2.732 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccccc2F)cc1OC 1529179955 AEADOAHIQNWQEX-WOJBJXKFSA-N 361.413 2.777 0 50 FFAA Cc1cc(N[C@@H]2COC[C@H]2Cc2ccncc2)nc(N2CCCCC2)n1 1704297908 YJWLNKXOGACEQX-QZTJIDSGSA-N 353.470 2.840 0 50 FFAA CCCc1nc(N2CCCN(C(=O)[C@@H]3CCc4ccccc43)CC2)no1 1772806384 DSUNGKMPNJFQCM-QGZVFWFLSA-N 354.454 2.791 0 50 FFAA COc1ccccc1CN(C)C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 12303171 KNWDIUGTMXNXNU-UHFFFAOYSA-N 353.426 2.552 0 50 FFAA O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccccc3)C2)nn1 12333135 OKZCFUDDXRNCQL-SFHVURJKSA-N 353.470 2.788 0 50 FFAA CCNS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 12651065 QOQXMWLJDSWOML-UHFFFAOYSA-N 370.377 2.524 0 50 FFAA Cn1ccnc1CN1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 15062335 JFYHROQCQTXNCI-FQEVSTJZSA-N 374.435 2.713 0 50 FFAA CN(C)S(=O)(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 15079967 QTOHQGUSKUPSJQ-IBGZPJMESA-N 374.506 2.716 0 50 FFAA COCCCN[C@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl 19805941 XLDPMXSKTYVVKY-CYBMUJFWSA-N 353.677 2.668 0 50 FFAA CCOc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 153473795 MBXRIALILMLEJX-KRWDZBQOSA-N 371.481 2.894 0 50 FFAA O=C1NCCC[C@]12CN(Cc1ccc(Oc3ccccc3)cc1)CC[C@@H]2O 1857688171 WIJDNNFCMCOHLP-RBBKRZOGSA-N 366.461 2.942 0 50 FFAA Cc1n[nH]cc1-c1nc(-c2cc(C)n(C(C)C)n2)n(CCc2cnc[nH]2)n1 1857731372 QNOVFMAWSMSCCZ-UHFFFAOYSA-N 365.445 2.695 0 50 FFAA Cc1cc(C)n(CCc2nnc(NC(=O)Cc3csc(C)n3)s2)n1 1875243400 GAUWDSASZYSEES-UHFFFAOYSA-N 362.484 2.540 0 50 FFAA Cc1csc(C(=O)N2CC[C@@H](Nc3ccc4nccn4n3)C2)c1Cl 329110360 QGYQHJHXBPJWSN-LLVKDONJSA-N 361.858 3.079 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)c(Cl)c1 331583762 RSUWLLYTAFYSDD-INIZCTEOSA-N 360.845 2.718 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)c1cc2cccnc2[nH]1 911319385 VEEYGUZJSSDEFB-CYBMUJFWSA-N 364.405 2.612 0 50 FFAA O=C(CN1CC[C@H](n2cc(C3CC3)nn2)C1)Nc1ccc(F)c(Cl)c1 931120473 KXSZLDCRJBMAPO-ZDUSSCGKSA-N 363.824 2.834 0 50 FFAA C[C@H]1CN(C)C[C@H]1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1875260960 GHFYWEJIRJCOJW-ZUZCIYMTSA-N 363.259 2.519 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC2(C(=O)O)CC1C2 1875305339 AJLBGIXADCJSAD-CMDGGOBGSA-N 351.406 2.578 0 50 FFAA O=C(c1cccc2cc(O)ncc12)N1CC[C@](O)(c2cccc(F)c2)C1 1875359419 CRBUDPMNSLTTAD-HXUWFJFHSA-N 352.365 2.813 0 50 FFAA CCc1nc(CN2CC[C@@H](NC(=O)c3nccc4[nH]ccc34)C2)cs1 1875332526 WTYSXEDVPAVILW-GFCCVEGCSA-N 355.467 2.586 0 50 FFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(CN3CCCC3)c(Cl)c2)cn1 1875385103 MTLZBGKHMISCTJ-MZNJEOGPSA-N 360.889 2.933 0 50 FFAA CN1CCC[C@H]1C(=O)NC1CC2(C1)C[C@H]2Nc1nc2ccc(F)cc2o1 1875405644 KXVUBRYNIWTXAK-ZCEBROHHSA-N 358.417 2.510 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F 886038115 CUALVSUFEYXACC-GXFFZTMASA-N 350.287 2.636 0 50 FFAA O=C(Cc1nsc2ccccc12)NC1(c2nnc3n2CCCC3)CCC1 886082106 AQNUUQCBQKHQCW-UHFFFAOYSA-N 367.478 2.962 0 50 FFAA Oc1nc2cc(Br)cc(-c3nc([C@H]4CCCO4)no3)c2[nH]1 896122809 QGTWQAOIISFGIX-SECBINFHSA-N 351.160 2.933 0 50 FFAA Cc1cccc(C(=O)NCC[C@H](C)NC(=O)Cc2cc(C3CC3)on2)c1 2325869014 WBDZBXFAUMYKIU-AWEZNQCLSA-N 355.438 2.728 0 50 FFAA CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CC[C@H](C)C4)c1N 628623 RTWZQWCXHBMYHE-VIFPVBQESA-N 357.439 2.761 0 50 FFAA NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1 794319 WHFRUEXGTOWUTH-NSHDSACASA-N 362.788 2.896 0 50 FFAA Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)o1 1159741 ZXVSZEBWYFWCND-HNNXBMFYSA-N 350.168 2.763 0 50 FFAA COCCN1CCC[C@@]2(CCCN2CCCOCc2ccccc2)C1=O 2356135867 WTPBLGNAMWYPRU-OAQYLSRUSA-N 360.498 2.697 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc2sc(=N)[nH]c12 2356138326 JGDXKPNKVGFJJC-IBGZPJMESA-N 367.478 2.861 0 50 FFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)C1 2356141993 YYGRHEUYCWHSAV-LJQANCHMSA-N 358.413 2.910 0 50 FFAA C[C@@]1(C(=O)n2nnc3ccccc32)CC1(Br)Br 2894205 ZSFVQKQHCMOSCI-JTQLQIEISA-N 359.021 2.968 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4868290 ZTISNBWNYMIGOM-AWEZNQCLSA-N 362.426 2.865 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(N)=O 4809445 AHPLQMMFHNMWER-UHFFFAOYSA-N 369.240 2.657 0 50 FFAA CN(C(=O)c1ccc(I)cc1)[C@@H]1CCCC[C@@H]1O 10543146 NXEWJYOJPNYPON-OLZOCXBDSA-N 359.207 2.667 0 50 FFAA CC(=O)c1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cs1 104498719 LGLMIWCFYZVFOD-LJQANCHMSA-N 373.522 2.723 0 50 FFAA Cc1cc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)no1 225406353 CUTFDQPXCLWISW-WFASDCNBSA-N 354.328 2.879 0 50 FFAA O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9364469 BDIUXNQCEPOHHY-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA COc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc2c1OCCO2 112671095 XBQQSSXOCBOYQF-UHFFFAOYSA-N 371.437 2.522 0 50 FFAA Cn1cccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c1=O 114130855 FBBCRDBTXIFVBH-UHFFFAOYSA-N 369.812 2.749 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O 100668370 LYQDZUCRJZDDCP-UHFFFAOYSA-N 366.373 2.673 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3ccc(C)c4ncccc34)C2)nn(C)c1=O 67713037 XSSRCGQOPAGZHR-QGZVFWFLSA-N 365.481 2.838 0 50 FFAA Cn1cc(CN2CCC(n3cc(-c4cc(F)cc(F)c4)nn3)CC2)cn1 23580850 IZUAPXJDRCFBSF-UHFFFAOYSA-N 358.396 2.794 0 50 FFAA CC(=O)[C@H](C)CC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67688734 OVGRRDVXYNFSGE-CYBMUJFWSA-N 354.406 2.790 0 50 FFAA O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NCc3ccccc3)cc21 64959315 WNNAAJQGJGDLDR-CQSZACIVSA-N 362.385 2.811 0 50 FFAA O=C(NCc1ccco1)N1CCC[C@H](Cn2cc(-c3cccnc3)nn2)C1 23250313 WLMSYESVDXYUGV-HNNXBMFYSA-N 366.425 2.555 0 50 FFAA COc1cccc(CNS(=O)(=O)/C=C/c2ccc(OC)c(OC)c2)c1 1401998 NXCBDMQTKVUBQM-MDZDMXLPSA-N 363.435 2.803 0 50 FFAA COc1cc2c(cc1CN1CCC(Cn3ccnc3)CC1)OCCCO2 215392421 FWTQHZFTPNWBAJ-UHFFFAOYSA-N 357.454 2.965 0 50 FFAA CCOC(=O)[C@@](O)(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2769559 LPQYAEUOVJKAFS-LBPRGKRZSA-N 373.249 2.891 0 50 FFAA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc1OC 4387083 PLLOEIRUORUPCR-CYBMUJFWSA-N 351.358 2.986 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@H]2CCCC[C@@H]2C)o1 328609380 DBBDJIMCZQIWAV-KKUMJFAQSA-N 351.447 2.688 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3CCn4nc(CCC(=O)O)cc4C3)cc2c1C 72132041 LMTGHFQQDVHNGT-UHFFFAOYSA-N 366.421 2.654 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cncc(Cl)c1 218889177 OEANUPDVKFQLMD-AUCFXJAVSA-N 358.825 2.912 0 50 FFAA CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@@H](N(C)C)C3)c2)cc1 153494105 FZDKOLBARRECKA-HXUWFJFHSA-N 352.482 2.981 0 50 FFAA CC[C@H]1CN(C(=O)Cc2cccc(O)c2)CCC(=O)N1Cc1ccccc1 71661249 VGVZNNBMVFDICG-IBGZPJMESA-N 366.461 2.974 0 50 FFAA CC(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccncc2)CC1 125445911 HCVHPTIBPKHZNF-UHFFFAOYSA-N 365.477 2.911 0 50 FFAA O=C(c1csc2c1CCCC2)N1CCC(C(=O)O)(n2cccn2)CC1 72479302 MTRDDVSKEQXFBS-UHFFFAOYSA-N 359.451 2.540 0 50 FFAA CN(Cc1ccccc1)[C@H]1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1 72447132 JIMQGMBIUSGCOF-SFHVURJKSA-N 364.493 2.770 0 50 FFAA O=C(c1ccc(N2CCC[C@](CC3CC3)(C(=O)O)C2)nc1)N1CCCC1 219610642 ARWPKHURDUFHNN-HXUWFJFHSA-N 357.454 2.789 0 50 FFAA Cc1ccc(C(=O)N2CCC(n3cnc(C(=N)O)c3N)CC2)c(Cl)c1 332456871 OOYJTWWUJZZSOG-UHFFFAOYSA-N 361.833 2.788 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CCC([C@H](O)CCc2ccccc2)CC1 77522024 XHRRCOMIPGAFCI-HXUWFJFHSA-N 355.482 2.965 0 50 FFAA C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 281914908 CKPNZWBPPCGBPJ-ZIAGYGMSSA-N 359.499 2.883 0 50 FFAA Cc1cc(C)c2c(C(=O)N3CCc4c(nc(C)[nH]c4=O)C3)cc(C)nc2c1 72158373 XIQVYYGNQGYSMD-UHFFFAOYSA-N 362.433 2.750 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)coc2c1C 72171441 YUVAWQSIPGJUPX-FQEVSTJZSA-N 356.422 2.954 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 237067979 OZUKDXAWPUWEGT-UHFFFAOYSA-N 352.390 2.784 0 50 FFAA COc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)ccc1O 77356309 RIFPGQAFOPVXJR-NRFANRHFSA-N 372.465 2.656 0 50 FFAA Cc1nc(CN2CCN(Cc3c(C)nc4scc(C5CC5)n34)CC2)no1 333823830 JMVVOSVOPSDUFG-UHFFFAOYSA-N 372.498 2.591 0 50 FFAA COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)[C@@H](C)C2=O)cc1 72154223 ZOFOKCGTIRYCCJ-AWEZNQCLSA-N 350.422 2.809 0 50 FFAA Cc1cc(C)n(-c2ccc(CN3CCC[C@H]3c3nc(N)n(C)n3)cc2)n1 283959561 HXGTWRTUMJCWRV-KRWDZBQOSA-N 351.458 2.537 0 50 FFAA O=C(Cn1cc2ccccc2n1)N1CCC(OCc2cccnc2)CC1 82136892 AGBSSQGHQJQTIY-UHFFFAOYSA-N 350.422 2.639 0 50 FFAA Cc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)c2ccccc2n1 40268250 XSJDAABXISADJO-UHFFFAOYSA-N 366.450 2.542 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1cc(-c2cccnc2)no1 220706520 KGVOBOMUAREQMB-FQEVSTJZSA-N 362.433 2.800 0 50 FFAA COCC(=O)N1CC(=O)N(c2cccc(Cl)c2)C[C@@H]1Cc1ccccc1 82133700 OISAITMSTBIFLN-SFHVURJKSA-N 372.852 2.773 0 50 FFAA O=C(CCSCc1ccccc1)N1CCCO[C@H](Cn2cccn2)C1 221238658 HULGDWDAXFWIAJ-SFHVURJKSA-N 359.495 2.824 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2ccccc2n1 223743889 BSXIQSXDJGDVQW-SJLPKXTDSA-N 369.446 2.795 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 426412605 AFJKHAYTZXOUDF-KRWDZBQOSA-N 369.425 2.794 0 50 FFAA CC(C)Cc1nc(CNC(=O)N2CCC[C@H](OCc3ccccn3)C2)no1 426535434 IWUZUEITPBDMCM-INIZCTEOSA-N 373.457 2.554 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95506095 JUVPSSAAZXFUTC-INIZCTEOSA-N 365.412 2.880 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)NCCc1nc(C)c2c(n1)CCC2 426684527 QOUZRBWNIDOXMY-UHFFFAOYSA-N 368.466 2.951 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)[nH]n2)s1 91644286 NEINJFXOXDCWJK-CQSZACIVSA-N 371.466 2.574 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(CC(=O)Nc1ccccc1)C2 91677216 YFGZQDGLQMSNOG-PKOBYXMFSA-N 368.481 2.826 0 50 FFAA CN1CCN(C(=O)Nc2ccccc2)C[C@]12CCC(=O)N(CC1CC1)CC2 91650251 XRBPCRRGQLJELJ-OAQYLSRUSA-N 370.497 2.627 0 50 FFAA CSc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1 91986649 BFPGWCDKWAFRPE-MRXNPFEDSA-N 369.490 2.811 0 50 FFAA CC(C)[C@H](NC(=O)Nc1cc(-c2ccccn2)nn1C)c1nccn1C 96139662 KVJIZJAIVSEMLJ-INIZCTEOSA-N 353.430 2.734 0 50 FFAA Cc1nc2ccccc2nc1CN1CCC(N2CCC[C@H](C(=O)O)C2)CC1 97217377 LAGIEMQQSQKBNV-INIZCTEOSA-N 368.481 2.699 0 50 FFAA CSCCc1nc([C@@H](C)Cn2cncn2)n(C2Cc3ccccc3C2)n1 96131951 ZXRACHHLQAFNSS-AWEZNQCLSA-N 368.510 2.919 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(c1nc3ccccc3s1)CCN2C 95381857 UKVXMPLWXWYUDU-IBGZPJMESA-N 358.511 2.819 0 50 FFAA CCc1nnc(CN(CC)C(=O)c2cc(-c3ccccc3OC)[nH]n2)o1 426613599 IHYCBALQYFKEBA-UHFFFAOYSA-N 355.398 2.693 0 50 FFAA COc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1Cl 91985847 GCTHMMYTQZZPQU-HZPDHXFCSA-N 366.889 2.515 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(CCOCc1ccccc1)C2 91620388 ALIJKPNDRPDIGM-JOCHJYFZSA-N 372.509 2.697 0 50 FFAA O=C1OCc2cc(NC(=O)N3CCC([C@H](O)c4ccccn4)CC3)ccc21 95529980 MLXGZBYMKYPSOB-SFHVURJKSA-N 367.405 2.730 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)CCc3cn[nH]c3)CC2=O)cc1 91830352 QMHSQHGEBPVYSV-KRWDZBQOSA-N 354.454 2.587 0 50 FFAA O=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCOC[C@@H](O)C1 95518585 YSGZOQDBPKTWHE-KRWDZBQOSA-N 373.478 2.641 0 50 FFAA COc1ccc2cc(C(=O)N3CCN(C4CCSCC4)CC3)n(C)c2c1 97785212 AYYGXSHIBLALED-UHFFFAOYSA-N 373.522 2.840 0 50 FFAA O=C(O)c1ccc(COc2ccc(CN3CCN4CCC[C@H]4C3)cc2)o1 244852765 UYHZLNZQENPHHY-INIZCTEOSA-N 356.422 2.837 0 50 FFAA CCn1c(CN2CCC3(CCc4ccccc43)CC2)nnc1[C@H]1C[C@@H](N)C1 243919572 BPDDUXSMLWFKGU-HDICACEKSA-N 365.525 2.983 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1 244724095 MNNJNZDWDRPCJM-UHFFFAOYSA-N 368.437 2.600 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)n2)cc1 182138924 RFRFYMSKEXVZMK-MAUKXSAKSA-N 362.437 2.653 0 50 FFAA Cc1nnsc1CNC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 297070186 MCBVYDAKDJLHCE-ZDUSSCGKSA-N 352.847 2.863 0 50 FFAA CNC[C@@H]1CCN(C(=O)Cn2c(-c3scnc3C)nc3ccccc32)C1 299738940 IRIBFBXOBCDPNL-AWEZNQCLSA-N 369.494 2.536 0 50 FFAA C[C@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CCCc2ccccc21 183947642 CVEMDFHTEWXSRW-FQEVSTJZSA-N 373.474 2.685 0 50 FFAA CNc1ccc(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)O4)cc2)cn1 534590210 AZXZDCIMNZTTBI-UHFFFAOYSA-N 366.421 2.505 0 50 FFAA O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)[C@H](O)C1CCCCC1 299785888 MAGBUVQRMKLOIB-LJQANCHMSA-N 366.452 2.987 0 50 FFAA Cn1c(CNC(=O)CCCn2cccn2)nc2cc(C(F)(F)F)ccc21 299787102 RTNLYURWRSZFFO-UHFFFAOYSA-N 365.359 2.885 0 50 FFAA Cc1ccc2nc(CNC(=O)c3cnc(N)nc3-c3ccccc3)[nH]c2c1 825206870 NOVHRIXSJBTPOF-UHFFFAOYSA-N 358.405 2.841 0 50 FFAA CC[C@@H](NC(=O)c1ccc(Cn2nnnc2C)cc1)c1nc(C)c(C)s1 822668906 VHYDIHOLUPQJPL-MRXNPFEDSA-N 370.482 2.984 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)c1cccc(-c2cnc3nncn3c2)c1 584902507 OOCJWKBDJYMLAY-SFHVURJKSA-N 365.437 2.823 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)c2cc(C)c(F)cc2Cl)CC1 186632269 XFARIYYNHLZDML-UHFFFAOYSA-N 356.825 2.799 0 50 FFAA Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@]2(C)CCCC[C@H]2O)c1 170651963 IMOIPIBBUSACHP-DNVCBOLYSA-N 374.510 2.600 0 50 FFAA CCOc1cc(-c2ccccc2)sc1C(=O)NCCc1nnc(N)o1 170605899 DQGXGQMZTBWVHY-UHFFFAOYSA-N 358.423 2.752 0 50 FFAA NC(=O)c1noc([C@H]2CCCN2C(=O)c2cc(Cl)sc2Cl)n1 170614445 RSNJQVMTGIASIK-ZCFIWIBFSA-N 361.210 2.514 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616078530 YPHGSCTWTMYYTP-HOCLYGCPSA-N 365.861 2.676 0 50 FFAA Cc1[nH]c(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c(C)c1C(=O)O 1506423233 WZXGVQHRCPPZNG-HNNXBMFYSA-N 357.410 2.546 0 50 FFAA O=C(c1cccnc1N1CCC[C@@H](OCc2ccccn2)C1)N1CCCC1 1529196909 JHZGBGDUKMWQRE-GOSISDBHSA-N 366.465 2.898 0 50 FFAA CCc1ccc(NC(=O)N2CCCN(C(=O)c3cnn(C)c3C)CC2)cc1 1775984253 LJYSHYYJMCEEMH-UHFFFAOYSA-N 369.469 2.671 0 50 FFAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)o1 12479202 IFCCUPWZQBPCRR-INIZCTEOSA-N 358.413 2.825 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12575431 CIPIRYDZEUCYIO-JOCHJYFZSA-N 371.525 2.571 0 50 FFAA Cc1ccn(CC(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1 12588795 JRUOKSGHECZHCA-INIZCTEOSA-N 367.371 2.680 0 50 FFAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 13944051 PWOFPZOKOZJXPY-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA COCCCNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 14958772 AKRNOLDKKMCJRZ-UHFFFAOYSA-N 360.439 2.971 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)sc(C)c1C 19884282 NPZNXLUTJFESDA-GHMZBOCLSA-N 354.472 2.589 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)n1 1857680128 BXTIXOILLVAMGZ-UHFFFAOYSA-N 363.465 2.528 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@H]2[C@@H]1CC(=O)N2C1CCCC1 1857696000 HTEWMLGDXBXACM-OALUTQOASA-N 364.449 2.835 0 50 FFAA Cc1ccc2nc(N3C[C@@H](C(=O)NCCc4ccco4)CC3=O)sc2c1 1857700012 IQXJLJUAQJFOJT-ZDUSSCGKSA-N 369.446 2.910 0 50 FFAA CC(C)(N)C(=O)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857718824 UWTSURANGLMDDJ-RBUKOAKNSA-N 368.433 2.794 0 50 FFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CCC(=O)O)C2CCOCC2)c1 408513303 NIXMZINVZDXIMI-ZDUSSCGKSA-N 369.845 2.898 0 50 FFAA CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCCc1ccccc1 112267345 SMQMZFTYDDMHDU-IBGZPJMESA-N 370.518 2.826 0 50 FFAA O=C(Nc1cc(-c2ccc(Cl)cc2)nn1CCO)[C@@H]1C[C@H]2CC[C@@H]1O2 113812112 ZQHZUNZGGLJOET-FMKPAKJESA-N 361.829 2.702 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C[C@H]1n1ccnc1 246912200 BNOGMIUMUZGRCT-BZZMCLGOSA-N 367.449 2.868 0 50 FFAA Cn1cc(C[C@@H]2CCN(C(=O)NCc3ccc(F)c(Cl)c3)C2)cn1 363427434 VSPSDBWYZVRGJN-ZDUSSCGKSA-N 350.825 2.987 0 50 FFAA Cc1nnc(C(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)s1 840927849 FKSKGLKCURZZRV-CQSZACIVSA-N 353.394 2.711 0 50 FFAA Cc1nnc([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)[C@H]2C)o1 952824994 GQQIUGSSSHNZIN-ZFWWWQNUSA-N 353.426 2.913 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2CCCNC2)c2c(C)nn(C(C)(C)C)c2n1 1875277734 BSLSHQCCALDWGK-HNNXBMFYSA-N 357.502 2.875 0 50 FFAA O=C(CCCc1ccncc1)N[C@@H]1CCCN(c2ccc(F)cc2)C1=O 1875310063 BNHWQPZTJNFALJ-GOSISDBHSA-N 355.413 2.855 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)[C@@H]1CCNC1 1875314952 BPENQEUPFLOSJW-SQWLQELKSA-N 370.522 2.843 0 50 FFAA COC(=O)/C=C/CCNC(=O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 1875314451 YFLQBBLGFFOMRY-HVDCHUODSA-N 356.466 2.665 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)c1ccns1)[C@@H]1C[C@H]2CCC[C@@H]21 1875406601 ICLASHPBGVUCHJ-FOLNQXHWSA-N 359.495 2.689 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc(Cl)cn2)CC1 881331863 VZNFNAMWRFPPRV-XYPYZODXSA-N 354.838 2.696 0 50 FFAA O=C(CN1C(=O)CCCc2ccccc21)N1CC[C@H](c2ccc(F)cn2)C1 2325750875 OQAMQLHOASUWNU-INIZCTEOSA-N 367.424 2.906 0 50 FFAA COc1ccc(N2C[C@H](NC(=O)N(C)CCc3ccccc3)CC2=O)cc1 2325756535 XJTFNPKZDVRGHI-QGZVFWFLSA-N 367.449 2.685 0 50 FFAA Cn1nc(CC2CC2)cc1NC(=O)NCc1cnc(O)c2ccccc12 2325763542 KPNQQDSMPROBHX-UHFFFAOYSA-N 351.410 2.948 0 50 FFAA CC(=O)N(C)C[C@H]1CN(C(=O)c2ccc([C@@H]3CCC3(C)C)cc2)CCO1 2325848294 CWYJBJZZECKACZ-OALUTQOASA-N 358.482 2.910 0 50 FFAA CCNS(=O)(=O)c1ccc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)nc1 2325854881 ZYOMJIMGVIPIRX-HIFRSBDPSA-N 363.458 2.901 0 50 FFAA CCCN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)C[C@H]2CCCc3ccccc32)C1 2332237917 QMMHBHBSKOLNSU-QYZOEREBSA-N 372.509 2.886 0 50 FFAA CCOc1ccccc1N(CC(=O)Nc1cccc(C)c1)S(C)(=O)=O 816936 GCZBUBWHOGJORT-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA Cc1ccc2nc(NC(=O)COC(=O)c3nn(C)cc3Cl)sc2c1 878209 AWMHAAPAXICFEQ-UHFFFAOYSA-N 364.814 2.787 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 1088085 KJXMNSPDUPKIBM-UHFFFAOYSA-N 356.403 2.505 0 50 FFAA Cc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O 1126116 ZXZMZLQXOSHACE-UHFFFAOYSA-N 366.421 2.750 0 50 FFAA COc1cc(C(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)nc2ccccc12 2356143042 SBRYXFQXIOSASF-FQEVSTJZSA-N 370.449 2.780 0 50 FFAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)OCCc2sccc23)C1 2356156662 LZAAHMKUBHXXDP-CQSZACIVSA-N 350.484 2.843 0 50 FFAA CC(C)CC(=O)N1CCCCNC(=O)C[C@@H](c2ccccc2)NCCC1 2356161231 LNMMKVMHUGWMSD-IBGZPJMESA-N 359.514 2.882 0 50 FFAA Cc1ocnc1C(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356168666 AGYGNNMIYKDBMB-NRFANRHFSA-N 367.449 2.823 0 50 FFAA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](Cn2cc(CO)nn2)C1 20860845 UIZQNGOZSUSBOC-AWEZNQCLSA-N 374.510 2.653 0 50 FFAA CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 4755773 DNMNOHNLPYLEBF-GXDHUFHOSA-N 363.211 2.949 0 50 FFAA CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)c1 7968817 QVIDAULMYMEXPP-UHFFFAOYSA-N 364.398 2.531 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280030079 NSWCSLSKWNDRQG-BXUZGUMPSA-N 352.312 2.754 0 50 FFAA COc1cc(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1C 55154660 HJRUFOCUYGQDTI-UHFFFAOYSA-N 366.461 2.921 0 50 FFAA Cc1ccc2nc3c(n2c1)[C@@H](c1cc2cccc(C)c2[nH]c1=O)CC(=O)NC3 65403345 HPUAYIMDLRUUAX-OAHLLOKOSA-N 372.428 2.944 0 50 FFAA O=C([C@@H]1CCCCO1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1 23380539 PAPGWGZIGIBCNK-IBGZPJMESA-N 354.454 2.602 0 50 FFAA O=C1N(CC2CCC2)CCC[C@]1(O)CN1CCc2c([nH]c3ccccc23)C1 20599407 QHJHTUTWTFAZQY-QFIPXVFZSA-N 367.493 2.680 0 50 FFAA Cc1cc(NCCn2ncc3ccccc3c2=O)nc(-c2cccnc2)n1 65419315 RYXZCHBLNWOGGT-UHFFFAOYSA-N 358.405 2.669 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)c1coc(COc2ccc(F)cc2)n1 67756752 ADKNRAKYGOCDOU-UHFFFAOYSA-N 360.345 2.746 0 50 FFAA Clc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)cc2c1OCCO2 252458649 ZCZQGZDGQLWWNQ-MRXNPFEDSA-N 366.889 2.798 0 50 FFAA Cc1nc(CCNc2nc(-c3cccnc3)nc3c2CCNC3)sc1C 67804304 JDISSUFQCDZFMV-UHFFFAOYSA-N 366.494 2.912 0 50 FFAA O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CC(c2ccncc2)=NO1 252495221 ONXJKONMLQUKLG-GOSISDBHSA-N 352.369 2.554 0 50 FFAA CN(Cc1cccc(Cl)c1)C(=O)c1cc(CN2CCC[C@H](O)C2)on1 67789077 XYRGSYSGAZMMHN-HNNXBMFYSA-N 363.845 2.557 0 50 FFAA CC1(C)CC[C@H](CC(=O)NS(=O)(=O)c2cnccn2)c2ccccc21 152508613 JAHYJQWVXFFAMS-CYBMUJFWSA-N 359.451 2.527 0 50 FFAA Cc1noc([C@@H](NCc2ccc(N3CCCC3)nc2)C2CCOCC2)n1 328615101 AQZIDLNSKBIIKL-SFHVURJKSA-N 357.458 2.631 0 50 FFAA COc1cccc(N2CCN(Cc3nc(N)c4c(C)c(C)oc4n3)CC2)c1 154194933 YMBIVJKUTCEPRK-UHFFFAOYSA-N 367.453 2.753 0 50 FFAA CCN1CCN(Cc2cc(C)cc(CN(C)Cc3nc(C)no3)c2C)CC1 216468773 OKCLFQGMDXJONX-UHFFFAOYSA-N 371.529 2.764 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)c1ccc(Oc3ccccc3)o1)C2 216281055 JBXBTGZNVYKOFC-UHFFFAOYSA-N 351.362 2.630 0 50 FFAA CN(C)C[C@]1(O)CCCN(Cc2nc(-c3ccccc3Cl)no2)CC1 72133822 MEWGCUPCOAAJMB-SFHVURJKSA-N 364.877 2.669 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(Cc3ccc(O)cc3)CC2)n1 72447475 UDHWPOITZZHYCY-UHFFFAOYSA-N 357.454 2.962 0 50 FFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc2nsnc12 13324528 GQXSZDFGGXVRHY-UHFFFAOYSA-N 371.441 2.591 0 50 FFAA CCCCc1ccc(-n2cc(CN3CCC[C@@](O)(CO)CC3)cn2)cc1 72143319 RYJDVJHCRXLFFM-NRFANRHFSA-N 357.498 2.924 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C[C@@]1(O)CCCN(CC2CC2)C1=O 14973458 WEXRXHFABGDJKQ-NRFANRHFSA-N 369.465 2.537 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(CCN2CCOCC2)C1 71758808 VFYWMFPAIUAXNG-INIZCTEOSA-N 370.415 2.932 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)ccc2n1 159140232 UXTRFYMIKOPKIZ-SFHVURJKSA-N 351.450 2.922 0 50 FFAA COc1cccc(N2CCN(CCOc3ccccc3C(=O)O)CC2)c1 237461816 SLILXQGXZFNMSZ-UHFFFAOYSA-N 356.422 2.594 0 50 FFAA C[C@@H](CN(Cc1ccccc1)C(=O)Cc1n[nH]c2ccccc12)C(=O)O 237483848 YUHBKYAGKHMIJT-AWEZNQCLSA-N 351.406 2.855 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)on1 72144696 HDEFSIOTUBVHCY-IBGZPJMESA-N 354.450 2.964 0 50 FFAA O=C(c1cocn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71404013 YGVVQFMCQLDWCU-MORSLUCNSA-N 359.376 2.655 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 215343003 SLSZQZLUGFXSEK-OAHLLOKOSA-N 351.516 2.781 0 50 FFAA Nc1cc(N2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)ncn1 77356277 QPQFUJYYJOAHIB-NRFANRHFSA-N 365.481 2.511 0 50 FFAA C[C@H]1CCCCN1C1CN(c2ccnc(C(=O)NCc3ccco3)c2)C1 71755203 QXXOVEGLTLYGTD-HNNXBMFYSA-N 354.454 2.668 0 50 FFAA O=C(N[C@H](c1noc([C@@H]2CCc3[nH]ncc3C2)n1)C1CC1)c1ccccc1 289248026 YFWDJXNVMPOQBF-PBHICJAKSA-N 363.421 2.946 0 50 FFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3CC)C[C@@]23C=C[C@H]1O3 226888077 SMBHTVWBJZTLQK-IIMDRIAPSA-N 355.434 2.879 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)NCc3cccc(F)c3)cc2C1 82120248 BGOWDTBYFYHKDF-UHFFFAOYSA-N 373.476 2.883 0 50 FFAA COCc1cc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)ccc1OC 426563114 CFPPWNFKKFNXBK-INIZCTEOSA-N 373.453 2.502 0 50 FFAA CN(Cc1nc(C2CC2)no1)C(=O)NC1CCN(Cc2ccccc2)CC1 426386926 PRIKDNIRBXBTDU-UHFFFAOYSA-N 369.469 2.753 0 50 FFAA O=C(c1cnoc1-c1ccccc1)N1CCC[C@H](c2ccn(CCO)n2)C1 426575183 XVQZEXCNWQQAJH-INIZCTEOSA-N 366.421 2.550 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)CCc1n[nH]c3c1CCCC3)C2 95358097 UFRDAADVQRTHAL-AWEZNQCLSA-N 369.465 2.597 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 95386061 FJCOTBZYQKUPJV-LJQANCHMSA-N 350.466 2.619 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 426582722 BVUSRJXHWQZZCW-KRWDZBQOSA-N 367.457 2.638 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CC=C(c2ccc(F)cc2)CC1 426699844 ASMSULXTFHKBOR-SFHVURJKSA-N 368.456 2.805 0 50 FFAA CN1CCC(N2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)CC1 95517909 SYDZVUACUZSWNZ-UHFFFAOYSA-N 371.525 2.860 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 92099513 AKXIRGHEJGWQRK-UHFFFAOYSA-N 362.433 2.584 0 50 FFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3nc(C)cc(C)n3)[nH]c2C1 95355491 KYNVKGROEBANNX-ZDUSSCGKSA-N 363.421 2.562 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239433350 XOEWKCSFZZAOHN-DUBDDPSESA-N 362.451 2.651 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccn1)C2 91441576 IGTNBYCVXIQCCO-FXAWDEMLSA-N 363.461 2.777 0 50 FFAA O=C(O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)n(-c2ccccc2)n1 237990655 XXVCQAHKLYKYJT-HNNXBMFYSA-N 363.373 2.824 0 50 FFAA Cc1cc(N2CCC(N[C@H]3CCOC3)CC2)nc(-c2ccccc2O)n1 95526918 QOOXZTVJUXPNNU-INIZCTEOSA-N 354.454 2.505 0 50 FFAA COCCN1CC2(CCC1=O)CCN(Cc1nc3ccc(C)cc3[nH]1)CC2 91693670 VKDPEWCEOACPTH-UHFFFAOYSA-N 370.497 2.722 0 50 FFAA CC1(C)CN(Cc2ccc(OCC(=O)N3CCCC3)cc2)CC[C@]1(C)O 91793757 LXBWVZRDJMUITF-NRFANRHFSA-N 360.498 2.671 0 50 FFAA O=C1[C@H]2CC[C@H](CN(CCOCc3ccccc3)C2)N1Cc1ccccn1 91965497 WMYFKFNNIYMXGA-PZJWPPBQSA-N 365.477 2.721 0 50 FFAA O=C([C@@H]1CCCCn2nnnc21)N(Cc1cccnc1)Cc1ccsc1 97744648 UXIPYFJMOXDMLO-MRXNPFEDSA-N 368.466 2.626 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)n1 95366012 UPGSUKMUOVLCDV-SFHVURJKSA-N 355.438 2.994 0 50 FFAA COc1cc2c(cc1CN1C[C@@H]3CC[C@H](C1)N(CC1CCC1)C3=O)OCO2 95388785 JJYIXBOTFWXZBA-DOTOQJQBSA-N 372.465 2.647 0 50 FFAA CC(C)CCn1nccc1NC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 96133013 VWRAFYDQBHCEAB-KRWDZBQOSA-N 373.432 2.773 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3Cc4nc(C)nc(O)c4C3)c2)n1 240203834 JTXFLIJDGBWFBJ-UHFFFAOYSA-N 363.421 2.508 0 50 FFAA CCOc1ccc(S(=O)(=O)N(Cc2ccccc2OC)C2CC2)cn1 181229595 SCHWPTACVHIDJQ-UHFFFAOYSA-N 362.451 2.842 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(-c2ccccc2)on1 252550138 SAJXZTGBDUTCSW-JQHSSLGASA-N 363.417 2.849 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)NCc2cccc(-c3nn[nH]n3)c2)c(C)s1 534655109 DCHNOVMAJWNWKR-SNVBAGLBSA-N 371.470 2.843 0 50 FFAA O=C1C[C@H](Sc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@H]2CO[C@H]1O2 102999532 ZLTUGECJMUJHCW-MDZLAQPJSA-N 360.357 2.549 0 50 FFAA CCCN1C[C@H](NC(=O)Nc2ccccc2OCc2ccccn2)CC1=O 299757088 HOIBKHXQZQREKL-MRXNPFEDSA-N 368.437 2.793 0 50 FFAA CC[C@H](NC(=O)c1cnc(N(C)C)nc1C)c1nc2cc(C)ccc2[nH]1 299758838 QPELYYDXAZJROJ-AWEZNQCLSA-N 352.442 2.917 0 50 FFAA Cc1ccccc1COC1CN(C(=O)CC2=CSC3=NCCCN23)C1 299789545 WZRRKGOLWDIMSA-UHFFFAOYSA-N 357.479 2.762 0 50 FFAA C[C@@H](c1nc(Cc2cccs2)nn1-c1ccncc1)N1CCN(C)CC1 823789433 PTFWZJWYLPBLQJ-HNNXBMFYSA-N 368.510 2.623 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)N(C)Cc2cc(-c3cccnc3)no2)n1 584888863 ZQSMKMWALOSAIQ-HNNXBMFYSA-N 368.441 2.953 0 50 FFAA COC(=O)c1cc(F)c(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)cc1OC 584899472 KLVPTFFOUZQCAN-CQSZACIVSA-N 373.380 2.807 0 50 FFAA CCn1c([C@H]2CCc3c[nH]nc3C2)nnc1N1CCC[C@@H](OC2CCC2)C1 1352725244 LZDPBNLUSBITDW-WMLDXEAASA-N 370.501 2.832 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1CCCN(c2ccccn2)C1 952988213 PZYFABIEXUPEKN-KRWDZBQOSA-N 355.486 2.729 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccc(C)cc2)cc1C 952969749 QDEVQRYJUHREFW-UHFFFAOYSA-N 369.465 2.959 0 50 FFAA Cc1cccc(C[C@H](CO)NC(=O)C2CCN(c3nc(C)cs3)CC2)c1 170088326 WSSYEZHLGUICQP-GOSISDBHSA-N 373.522 2.696 0 50 FFAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 170656780 RAVREOOOEGAYMM-HNNXBMFYSA-N 356.495 2.833 0 50 FFAA O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1coc(C2CCC2)n1 193956390 VNDQTGIBSRUMMY-SFHVURJKSA-N 355.438 2.745 0 50 FFAA Cc1cc([C@H](C(=O)O)N2CCCN(C(=O)c3ccoc3)CC2)ccc1F 1506400498 VOTJOAIRYBJGLA-QGZVFWFLSA-N 360.385 2.701 0 50 FFAA CCCC[C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@H](C2CC2)O1 1529144188 RAXKYKMLKLEYKH-VQIMIIECSA-N 369.465 2.593 0 50 FFAA CCOc1cc2c(cc1/C=C1/NC(=O)N(c3ccccc3)C1=O)OCO2 1137289 OZZSSWAEXLMFIL-RIYZIHGNSA-N 352.346 2.911 0 50 FFAA CCCCSCc1cc(C(=O)N(CCO)Cc2cncn2C)oc1C 1704310438 WWMVCKWLYHIFFR-UHFFFAOYSA-N 365.499 2.990 0 50 FFAA CC1(C)COc2c(CN3C[C@@H]4COCC[C@]4(CO)C3)cc(Cl)cc21 1772712892 UBZKTWIDYMOICW-AUUYWEPGSA-N 351.874 2.841 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1onc2ncccc12 1775977970 AAOWXAXJKVBPFW-UHFFFAOYSA-N 351.341 2.820 0 50 FFAA CN1C[C@H](CN2CCN(c3cccc(Cl)c3Cl)CC2)CCC1=O 1775979787 MSMWAXKBRMTRMJ-CYBMUJFWSA-N 356.297 2.984 0 50 FFAA CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)cn1 11773671 FMZFGEDGWSLNSZ-GOSISDBHSA-N 360.502 2.899 0 50 FFAA CCn1nc(C)c(CNc2nc3nonc3nc2N2CCCCCC2)c1C 12074799 VRJKDLJKGRJNKA-UHFFFAOYSA-N 370.461 2.839 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCC1CCCCC1 12297630 ULJWFOJTOONHQH-HXUWFJFHSA-N 366.452 2.988 0 50 FFAA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccccc3)C2)nn1 12333133 OKZCFUDDXRNCQL-GOSISDBHSA-N 353.470 2.788 0 50 FFAA Cc1nnsc1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 12708744 SJAZRAGXAMISTO-NSHDSACASA-N 359.480 2.855 0 50 FFAA CC(C)CCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14539727 XRTVLNIVROYOFZ-OAHLLOKOSA-N 358.486 2.778 0 50 FFAA CC(C)N1CCC(N2CCN(CC3CCCCC3)C[C@@H]2CCO)CC1 19227040 BXTJUAKEPFHUAN-NRFANRHFSA-N 351.579 2.808 0 50 FFAA O=C1OC[C@@]2(Cc3ccccc3)CN(CCc3ccc(O)cc3)CCN12 1857674800 YPMPUYIBUHJIJP-OAQYLSRUSA-N 352.434 2.684 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2C[C@@H]2CC(=O)N(C)C2)n1 1857677642 LAJUWKSMUNQLJY-OAHLLOKOSA-N 367.428 2.970 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3C[C@@]3(O)CCCNC3)s2)c1 1857703124 UQTPIBYVXATRGR-LJQANCHMSA-N 370.478 2.797 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@]23CC[C@H]1O3 1857707487 AHCADCMYJKXEMW-CNVJLJKISA-N 360.523 2.808 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cccn1C1CC1 1857714903 ROPFHLRIUIZOPJ-IMFGXOCKSA-N 351.450 2.767 0 50 FFAA CCc1nc(CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cs1 134856074 UGLLJHKKAFOZKA-NSHDSACASA-N 350.875 2.692 0 50 FFAA COc1ccc(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)cc1Br 153507103 BSDWRPINMAZJFL-VXGBXAGGSA-N 355.276 2.599 0 50 FFAA O=C(N[C@H]1CCc2c(O)cccc21)[C@H]1CCN(c2ccc(F)cc2)C1=O 264930369 NPAJAOIBKQYLKD-SJORKVTESA-N 354.381 2.688 0 50 FFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CCc2[nH]ncc2C1 266134292 YSXBKNKPUDOTFV-JTQLQIEISA-N 350.216 2.524 0 50 FFAA Cc1cccc(C(=O)NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)c1C 952848101 AWAQBEJLFDZWLA-ZMSDIMECSA-N 355.438 2.848 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4cc(C(C)C)n(-c5ccncc5)n4)[C@@H]1[C@H]3C2 1875256634 LOLTWIFAAXHVKF-GDNCQQSUSA-N 366.465 2.886 0 50 FFAA O=C(Cc1ccsc1)N[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 1875337446 UQCARPCWBHEOIS-INIZCTEOSA-N 353.447 2.803 0 50 FFAA COC(=O)c1nccc(N2CCC[C@@H]([C@@H](C)NC(=O)CC3CCCC3)C2)n1 1875303390 SMBMKQUFBFVAKQ-GDBMZVCRSA-N 374.485 2.565 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)[C@@H](C)C1 1875371297 WNIYHOZFWCVHQQ-ZDUSSCGKSA-N 372.856 2.693 0 50 FFAA Cn1cc(CN2CCC3(CC2)C[C@@H](O)c2nn(C4CCCC4)cc2O3)cn1 1875393004 CQYJWFYBDHEMPO-QGZVFWFLSA-N 371.485 2.582 0 50 FFAA O=C(NC[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1c[nH]nc1-c1cccs1 1875404496 KUURQYDANIPHMC-YMTOWFKASA-N 359.373 2.962 0 50 FFAA Cc1nc(=N[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)CCC2(F)F)s[nH]1 1875407621 DZOJIXRNLGDNOX-NWDGAFQWSA-N 358.458 2.743 0 50 FFAA CO[C@]1(c2nnc(-c3ccc(-n4nc(C)cc4C)c(F)c3)o2)CCOC1 886085324 DFDUBNCRNHYDSI-GOSISDBHSA-N 358.373 2.940 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cn(-c3ccc(Cl)cc3)nn2)C1 888079286 SUCNSEUZIJJTPV-HZPDHXFCSA-N 358.833 2.606 0 50 FFAA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc(-n2cnnn2)cc1 4626184 KLRKGCPGGNTESO-UHFFFAOYSA-N 373.298 2.810 0 50 FFAA C[C@H](OC(=O)c1cn(C)nc1C(F)(F)F)c1nc2c(s1)COCC2 2325774750 PWHYLJVTCHQUOV-ZETCQYMHSA-N 361.345 2.886 0 50 FFAA CC1(C)CO[C@@H](C(=O)O)CN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 2325812936 VMBOQBOVZFNFGU-OUCADQQQSA-N 371.355 2.900 0 50 FFAA CC(=O)N(C)[C@H]1CN(C(=O)Cc2ccc(C)nc2)CCc2ccccc21 2325849712 YNVIWJOZPMYGEQ-FQEVSTJZSA-N 351.450 2.537 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2c(C)nn(-c3cccc(F)c3)c2C)CC1 2325883869 XVEBJGWUDULKDD-UHFFFAOYSA-N 370.428 2.991 0 50 FFAA O=C(C[C@@H](C(=O)O)N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1 4487933 MEGODSAOAKOGED-SFHVURJKSA-N 370.405 2.593 0 50 FFAA COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc(OC)c1 4535168 ISUVUMVLDSWXCI-UHFFFAOYSA-N 374.422 2.823 0 50 FFAA Cc1ccc(CNC(=O)Cn2ncc3c([nH]c4ccc(C)cc43)c2=O)cc1 6998026 COZGJQOBBHBDHD-UHFFFAOYSA-N 360.417 2.811 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 245987861 FNKJQCDXGAIWHJ-YESZJQIVSA-N 359.532 2.929 0 50 FFAA CCN(Cc1nc(COC)no1)Cc1cccnc1NC(=O)C(C)(C)C 55370642 CDOMHCVMEUTPAS-UHFFFAOYSA-N 361.446 2.618 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225408030 PFLZORCMAXJIOA-ABAIWWIYSA-N 353.344 2.695 0 50 FFAA CS(=O)(=O)NCCc1ccc(-c2csc(C3(N)CCCC3)n2)cc1 225500574 KVPOPRODHHRFON-UHFFFAOYSA-N 365.524 2.630 0 50 FFAA Clc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1 20135148 KUJFWXNMAMBZON-UHFFFAOYSA-N 372.860 2.603 0 50 FFAA Cc1ccsc1CN(CC(C)C)C(=O)c1cc2ncc(CCO)cn2n1 55166393 XWQLDTGSLMHJSW-UHFFFAOYSA-N 372.494 2.932 0 50 FFAA COCCC1(CNC(=O)c2ccc3c(=O)[nH]c(S)nc3c2)CCCC1 134301648 DLSSZZULDCTUIG-UHFFFAOYSA-N 361.467 2.539 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C2)c1OC 65382915 JPNFIIHOEYYYGH-CQSZACIVSA-N 366.421 2.685 0 50 FFAA O=C(c1cc2n(n1)CCCNC2)N1CCC[C@H]1c1nc2ccccc2s1 65430590 HHFYWRYIQUPZAD-INIZCTEOSA-N 367.478 2.963 0 50 FFAA Cc1ccc2snc(C(=O)NC3CCN(c4nccn4C)CC3)c2c1 329024890 UZIHFDODZGGBSB-UHFFFAOYSA-N 355.467 2.737 0 50 FFAA O=C(NCCn1cc(Br)cn1)C12CC3CC(CC(C3)C1)C2 6828513 OANOWBOBIWMUJZ-UHFFFAOYSA-N 352.276 2.978 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCCO[C@H](Cn3cccn3)C2)cc1 72409919 PLXRQJKTRZTTNZ-FQEVSTJZSA-N 357.498 2.878 0 50 FFAA CN1CC[C@H]2CN(C(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)C[C@H]21 77300009 JNALXRXHQBIZND-FXAWDEMLSA-N 373.456 2.952 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2c2nc(C(C)(C)NS(C)(=O)=O)no2)o1 365770024 RGSSEQIUKVGIAQ-NOOOWODRSA-N 365.455 2.841 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 77471274 OWZOJWTZUXYSDR-OAHLLOKOSA-N 357.389 2.939 0 50 FFAA O=C(O)c1cc(-c2cccnc2)cc(S(=O)(=O)NCc2ccco2)c1 72146681 CXFRFOYWTXDLCI-UHFFFAOYSA-N 358.375 2.518 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cc4ccccc4o3)CC2)c1 72421347 BNMKNWHSHIFFLX-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA CCc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 77472426 QYIHNBIWNUKDJQ-OAQYLSRUSA-N 372.513 2.930 0 50 FFAA COc1ccc(Nc2cc(N3C[C@H](C)C[C@@H](C(=O)O)C3)ncn2)c(OC)c1 263208504 NFUAEEAMZAWPJV-CHWSQXEVSA-N 372.425 2.784 0 50 FFAA COc1c(C)cc(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)cc1C 72133415 CCYVIKYRRBHSGD-LJQANCHMSA-N 360.498 2.621 0 50 FFAA CC1(C)CN(C(=O)c2ccc(CN3CCCC3=O)cc2)[C@@H]2CCC[C@H]2O1 374242572 YQLPMDRMSICCSR-QZTJIDSGSA-N 356.466 2.981 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)n2)cc1 237446753 SUWQTTWPQCYDOG-KKXDTOCCSA-N 369.421 2.739 0 50 FFAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](Cn2ccnc2)C1 77320379 FHJLMYXGKVGNKS-INIZCTEOSA-N 362.433 2.791 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1C 159296434 JLOBUMOPRMVWMX-KRWDZBQOSA-N 359.495 2.872 0 50 FFAA Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C)s1 215353496 MHKJPWIYADAUJK-SNVBAGLBSA-N 367.496 2.501 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 219710455 QJLQZEGPVSIVFB-UHFFFAOYSA-N 366.465 2.741 0 50 FFAA CC[C@H](C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1)n1cccn1 72435835 HRPOXUYYTHMRRY-GOSISDBHSA-N 368.485 2.631 0 50 FFAA Cn1cccc1[C@@H]1CCCCN1C(=O)CCn1cnc2sccc2c1=O 173561843 CSQSNRJFLSAIGU-INIZCTEOSA-N 370.478 2.940 0 50 FFAA CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 138668523 OMKVUZTWFUHSOQ-YRRQLQLVSA-N 351.424 2.919 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 220277421 CRSOYTPYUJJYIM-UHFFFAOYSA-N 364.445 2.991 0 50 FFAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N3CCCN23)cc1 138548820 CCKGUXVAMPSUSD-XUVXKRRUSA-N 361.445 2.839 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCC[C@H]1c1nc(C(C)C)no1 222405692 RWSAWNIEODTMTM-HNNXBMFYSA-N 373.457 2.992 0 50 FFAA Cc1ccnn1CCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220682075 RFPCVZTYVUCNQL-QYGXFBIXSA-N 364.449 2.758 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 426503085 SJELIGZIXJZHDJ-HNNXBMFYSA-N 364.405 2.536 0 50 FFAA Cc1cccc([C@H](C(=O)NCCc2nc(C)c3c(n2)CCC3)N(C)C)c1 95353734 SRIXEXJHQJMCTP-HXUWFJFHSA-N 352.482 2.544 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)o1 91636537 LBZODFQTJRYYQU-OAQYLSRUSA-N 372.465 2.736 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3cc(-c4cccnc4)no3)C2)no1 426478954 PABDQSFACSXNDX-CQSZACIVSA-N 368.397 2.517 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N1CCN[C@H](c2ccccc2)C1 95529369 SXPRYJGAVUZART-SFHVURJKSA-N 368.437 2.832 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1scc3c1OCCO3)C2 95387010 QUCLQWYLCQCFGP-NSHDSACASA-N 361.419 2.509 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)Cc3ccc(CO)cc3)C2)CCC1=O 91793533 BHFDNJJPNLMJMQ-JOCHJYFZSA-N 372.509 2.753 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 95529419 UPIJUQJYHCHSOR-UHFFFAOYSA-N 357.414 2.827 0 50 FFAA O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(Cn2cccn2)c1 91644317 JTNDADRFUYKAGV-QGZVFWFLSA-N 355.463 2.574 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N1CC(Oc3cccc(C)c3)C1)CC(=O)N2 91416437 PWQNRRRMBUCNGC-GOSISDBHSA-N 366.417 2.719 0 50 FFAA O=C(NCCSC(F)(F)F)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 97732806 QRCUPPQNZAUOOF-AVJIGQEQSA-N 374.432 2.943 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccn1C1CC1 241081940 YSWVDGRQJBCRDY-VPWXQRGCSA-N 352.434 3.000 0 50 FFAA O=C(CN1CCc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 244852856 VABWVJZWDMYJAR-KCZVDYSFSA-N 350.462 2.673 0 50 FFAA CCOc1cc(NC2CCN(c3ccc(C(F)(F)F)nn3)CC2)ncn1 184124303 ZTNXGVFOPQSODN-UHFFFAOYSA-N 368.363 2.765 0 50 FFAA O=C(Cn1c(O)nc(=O)c2ccccc21)N1CCC[C@H]1c1ccsc1 298526940 UYTWVVPZSGEZBX-AWEZNQCLSA-N 355.419 2.527 0 50 FFAA C[C@]1(O)CCCN(C(=O)c2ccc(-c3cccc(-n4cnnc4)c3)cc2)C1 534653081 FLUPAWFODKWEJZ-NRFANRHFSA-N 362.433 2.921 0 50 FFAA COc1ccc(C(N)=O)cc1-c1cccc(C(=O)NCCCSC)c1 534585846 MXLQIPIJOWTEPF-UHFFFAOYSA-N 358.463 2.944 0 50 FFAA O=C(O)c1[nH]ncc1CN1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 67588578 GHPNUAAVSWSLIS-CQSZACIVSA-N 351.410 2.878 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cnc(-c3cccc(C)c3)nc1)CC2 299757975 JDZPHZFQNOUULJ-SVFBPWRDSA-N 353.466 2.956 0 50 FFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1cc3ccccc3[nH]1)CC2 299759017 GQTCZGNGTHZFJO-IMFGXOCKSA-N 358.438 2.781 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)NC1CCN(Cc2ccco2)CC1 584885415 QFCINBHFLDITQO-IBGZPJMESA-N 369.465 2.889 0 50 FFAA Cc1cc(NC(=O)Cc2ccc(F)c(F)c2)ccc1NC(=O)CN(C)C 823676201 SUGZGUBQIJAUIL-UHFFFAOYSA-N 361.392 2.955 0 50 FFAA CN(Cc1ccsc1)C(=O)NC1CCN(C(=O)N2CCCC2)CC1 584899266 GGBGECPJEYBUHI-UHFFFAOYSA-N 350.488 2.570 0 50 FFAA COC(=O)c1cccc(OCCN2CCN(Cc3ccccc3)CC2)c1 43828226 BYVGJIBTTHSUEB-UHFFFAOYSA-N 354.450 2.670 0 50 FFAA in-vitro Cc1nccn1Cc1ccccc1NC(=O)CCN1CCCCCC1=O 952975954 YBXBZPZHBBPFCI-UHFFFAOYSA-N 354.454 2.971 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CN(C)c3ccccc3O2)ccc1N1CCCC1=O 952966288 IUIQXYPOYDMOGN-IBGZPJMESA-N 365.433 2.958 0 50 FFAA CCOc1ccccc1N1CCN([C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 952974766 KFTCPOUEIOXCNM-LJQANCHMSA-N 371.525 2.998 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1F 207552181 WVKLRDDJTRNUAS-UHFFFAOYSA-N 365.386 2.612 0 50 FFAA O=C(C1CC1)[C@@H]1CN(C(=O)c2ccnc(OC3CCCCC3)c2)CCO1 170617823 SYFDHXWGHYVNPC-KRWDZBQOSA-N 358.438 2.613 0 50 FFAA CC(C)(O)C1CN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 170602697 ZRMOXHSQKRRHJP-UHFFFAOYSA-N 365.783 2.785 0 50 FFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cnc(C(C)(C)C)s2)C1 190021784 MHIBQTRWXZWFPS-GHMZBOCLSA-N 350.444 2.734 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCCN(C(=O)c2ccco2)CC1 1506413068 QPJQSSHGHFSDGR-UHFFFAOYSA-N 367.380 2.955 0 50 FFAA Cc1ccc(N2CCC(N3C[C@@H](O)[C@H](Cc4ccncc4)C3)CC2)cc1 1529133925 HKFKFNWRWVNJIR-DENIHFKCSA-N 351.494 2.894 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CCN(c1cnccn1)C2 12076466 IJDDVDXZFYPHPK-IBGZPJMESA-N 358.392 2.774 0 50 FFAA CN1CCC(N2CCC[C@@H](C(=O)NCCn3ccc4ccccc43)C2)CC1 12304969 HFENTWWQBCRPFS-LJQANCHMSA-N 368.525 2.564 0 50 FFAA O=C(Cc1ccccn1)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12318168 VZSWMIGSRFWLPW-LJQANCHMSA-N 359.429 2.695 0 50 FFAA CN(C(=O)CCN1CCCCO1)[C@H]1CCCN(CCCc2ccccc2)C1 12589420 LMFZWFPEHKJBLA-NRFANRHFSA-N 373.541 2.960 0 50 FFAA CCn1ncc(CN[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)c1C 15078364 KYXKJFRYVMSCAT-SFHVURJKSA-N 360.889 2.798 0 50 FFAA Cc1cc(O)nc(SCc2nnnn2-c2cccc(C(F)(F)F)c2)n1 16701798 GAYXDCRSULMSRK-UHFFFAOYSA-N 368.344 2.777 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)N[C@H](C)c4ncc(C)[nH]4)CC3)nc2n1 1857726869 HFUISJFQXQMUGY-CYBMUJFWSA-N 368.441 2.657 0 50 FFAA COCC1(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)CCC1 1857729946 KBDCWKXHBWRUFS-OAHLLOKOSA-N 372.469 2.762 0 50 FFAA COc1cc(C)ccc1OCCN1C(=O)[C@@]2(CCNC2)c2ccccc21 1875245373 XBRQUNRVWCYMHI-OAQYLSRUSA-N 352.434 2.660 0 50 FFAA OC[C@@H]1OCCN(Cc2cnn(Cc3ccccc3)c2)[C@H]1c1ccccc1 1875246036 XWDXXHLLUFVDPV-VXKWHMMOSA-N 363.461 2.866 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)cc1 331990827 PKUHXINOZNRMPV-QGZVFWFLSA-N 358.463 2.995 0 50 FFAA CCc1ccccc1NC(=O)c1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 9592135 ISVDLXNWWWHZCP-HNNXBMFYSA-N 352.390 2.939 0 50 FFAA CN[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 133517084 KWWKIWHDPGTOSF-PWSUYJOCSA-N 359.239 2.566 0 50 FFAA C[C@@H](CCc1ccccc1)N1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 15003009 FDJPJDKBXONYHC-INIZCTEOSA-N 367.497 2.829 0 50 FFAA CC(C)(c1ccccc1)c1nnc(NC(=O)N2CC[C@@H](O)C2(C)C)s1 463734521 BNPXVHWNSJUNSE-CYBMUJFWSA-N 360.483 3.241 0 50 FFAA COc1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c(OCC2CC2)c1 262477775 CJLMOONBCKTTDJ-SJORKVTESA-N 359.422 2.667 0 50 FFAA COc1cc(Cl)cc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)c1 1704326769 MGEURFPHGKFSKR-QGZVFWFLSA-N 353.846 2.885 0 50 FFAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1c[nH]c3cc(F)ccc13)C2 828859625 NOBDSQSXXUOVOU-MLYOOKFZSA-N 359.445 2.517 0 50 FFAA C=CC(=O)NCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncnc2c(C)csc12 1875386109 JECFRFOXJJBWCD-GXTWGEPZSA-N 372.494 2.933 0 50 FFAA Cc1nsc(N2CCCC[C@@H]2CNC(=O)c2cnc3ccccc3n2)n1 1875308157 SFJYRVBYYOWPDT-CYBMUJFWSA-N 368.466 2.579 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1 1875373903 UDVHQDDPBBBPJI-INIZCTEOSA-N 354.381 2.708 0 50 FFAA CN(CCNC(=O)c1nccc2[nH]ccc12)CCc1c(F)cccc1F 1875331991 IRPKMAWYAKUYBQ-UHFFFAOYSA-N 358.392 2.745 0 50 FFAA Cc1c([C@H]2CN([C@H](C)CCc3cccc(F)c3)C[C@@H]2C(=O)O)cnn1C 888079205 KQEFCTTZWJJHEO-ZNOIYHFQSA-N 359.445 2.989 0 50 FFAA COc1cccc(CCC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)c1 888103068 DUXSFHHPDWNCES-MSOLQXFVSA-N 357.454 2.956 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Br)CC12CC2 2325841085 CFWJWEAGYCGRCI-JTQLQIEISA-N 372.646 2.968 0 50 FFAA O=C(NC[C@@H]1CCN1C(=O)[C@H]1CC[C@@H]1F)c1ccc2c(c1)CCCCN2 2325867971 KMLCRRFPMYYCTK-ULQDDVLXSA-N 359.445 2.514 0 50 FFAA CO[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)C1(C)C 893525157 RUYXDRWPJFUMOP-DSEONOSFSA-N 374.485 2.824 0 50 FFAA NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 824341 WKATTYKEEDMYNZ-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA CCN1C(=O)N[C@@H](c2ccccc2Br)C(C(=O)OC)=C1C 1074936 CNYVMTDZXGHDMX-ZDUSSCGKSA-N 353.216 2.982 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)Nc1nc2c(s1)CCCC2 1113096 WTVKWGXFVNQBSQ-UHFFFAOYSA-N 354.435 2.761 0 50 FFAA COc1cc(NS(=O)(=O)c2cc(OC)ccc2OC)cc(OC)c1 1146817 STYAIIJOWYEEMW-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA Cc1nc(N2CCC3(CC2)OCCc2sccc23)c2cnn(C)c2n1 2356142763 GPPQIEKYYOENMO-UHFFFAOYSA-N 355.467 2.802 0 50 FFAA CC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 2947868 GWECEDFEXUCKGI-AWEZNQCLSA-N 364.442 2.936 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O 3122810 FAJWGRWANGBFPA-KRWDZBQOSA-N 365.389 2.658 0 50 FFAA CN1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1 6703191 HCHDQGHKOVJOKB-UHFFFAOYSA-N 357.841 2.980 0 50 FFAA CSc1ccc(-c2nc(CN3CCN(C)[C@@H](CCO)C3)c(C)o2)cc1 106949105 RSBPYQGSNZUKEQ-INIZCTEOSA-N 361.511 2.870 0 50 FFAA COc1ccc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1OC(F)F 225400125 DEZLTFVIGBRLIX-YVECIDJPSA-N 354.353 2.938 0 50 FFAA C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)[C@H](O)c1ccc2c(c1)OCO2 225630160 ZEFIMEAQMSUXAD-ZSEKCTLFSA-N 353.418 2.685 0 50 FFAA CCN(C(=O)c1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1)c1ccccc1 55284418 BRWNEUVFNMYWID-KRWDZBQOSA-N 351.406 2.570 0 50 FFAA COc1ccc(OC)c(NC(=O)CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1 102760434 IORMPZYANVODGT-IIAWOOMASA-N 370.449 2.751 0 50 FFAA CNS(=O)(=O)c1ccc(CN(C)CCOc2ccc(C)cc2C)cc1 55090884 AELKAYHKZVPJPX-UHFFFAOYSA-N 362.495 2.722 0 50 FFAA Cc1nc2ccccn2c1CN1CCCC[C@H]1CCN1CCN(C)CC1 102546929 YDEOZLCECGRFDE-IBGZPJMESA-N 355.530 2.635 0 50 FFAA CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)CC1 100622485 IHQYFRQPZRCMCA-CAMMJAKZSA-N 364.445 2.870 0 50 FFAA COc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 67601920 BTYJPNXLAUWDHF-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 136488591 KXORQIHAZJVXMA-CYBMUJFWSA-N 367.327 2.970 0 50 FFAA O=C(c1ccc(NCC2CC2)nc1)N1CCC(Oc2cccnc2)CC1 20598710 HLBKKLCOBRGSBJ-UHFFFAOYSA-N 352.438 2.982 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(N2CCCN(c3ccncc3)CC2)n1 63870687 HLOOSTRSJFJWEX-UHFFFAOYSA-N 363.469 2.606 0 50 FFAA Cc1ccc(C)c(C(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)c1 67602056 IYYBFTCJSHAFRW-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA Cc1c(CNC(=O)NCc2ccnc(O[C@@H](C)CC(C)C)c2)cnn1C 119214352 WXXRTPIRVBQOPH-AWEZNQCLSA-N 359.474 2.936 0 50 FFAA COc1ccc(CCn2cc(-c3ccc4c(c3)OCCO4)nn2)cc1O 67851268 SMBMFLMZDOGQCJ-UHFFFAOYSA-N 353.378 2.673 0 50 FFAA C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1 329620078 MNDVDGRPVZRGLH-CYBMUJFWSA-N 357.483 3.326 0 50 FFAA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc2c(c1)OCO2 2800078 MVUJJYSRJVSZBV-UHFFFAOYSA-N 356.769 2.961 0 50 FFAA CCN(CC)c1ccc(CNC(=O)NC[C@@]2(O)CCc3ccccc32)cn1 121400312 IPOBLAZQPLFKCT-NRFANRHFSA-N 368.481 2.561 0 50 FFAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN2CCCCC2)C[C@@H](C)O1 71639264 VTDXRGWOXIJVOF-OKILXGFUSA-N 362.499 2.631 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77521097 POBNRSAMWDKZBT-OAHLLOKOSA-N 372.444 2.790 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N1CCCN(Cc2cccs2)CC1 30383700 FLDAHTRQXUJVKQ-UHFFFAOYSA-N 368.499 2.925 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc(F)cc1Cl)C2 1073347854 GZYQFHXHJOSYKT-YPMHNXCESA-N 353.825 2.697 0 50 FFAA Cn1cnc2c(C(=O)N3CC[C@@](F)(c4cc(F)cc(F)c4)C3)ccnc21 367759890 IJOSFEJIAUIZNJ-SFHVURJKSA-N 360.339 2.957 0 50 FFAA CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2ncnn2-c2ccccc2)C1(C)C 332968816 JENHSKKHZQVPMS-BEFAXECRSA-N 357.458 2.612 0 50 FFAA O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CCCC1CCOCC1 375801413 JUQJRGDLPSFOIB-ROUUACIJSA-N 354.491 2.563 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1 72442257 RDZRTBSSGHYTGH-UHFFFAOYSA-N 368.477 2.944 0 50 FFAA O=C(c1cccc2nccnc12)N1CCN([C@H]2CCc3ccccc3C2)CC1 72165085 SOSNVCMMOWLPMF-IBGZPJMESA-N 372.472 2.945 0 50 FFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 240757067 HWBUJARBXQITBC-HZSPNIEDSA-N 367.243 2.639 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 72468686 BWNIJXGYIRIBLA-FQEVSTJZSA-N 373.460 2.882 0 50 FFAA CC[C@H](C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1)c1ccccc1 71738421 BFUXOQKNOYVZNH-KRWDZBQOSA-N 374.444 2.910 0 50 FFAA Cn1cc([C@@H]2CCCN2Cc2ccccc2OCC(=O)N2CCCC2)cn1 131940595 PXZGDXPNHTXKCC-IBGZPJMESA-N 368.481 2.758 0 50 FFAA C[C@H](CC(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1)N1CCOCC1 72428654 XXCNAKLQCYPASV-CYBMUJFWSA-N 361.873 2.817 0 50 FFAA Cc1nc(N2CCCN(C3Cc4ccccc4C3)CC2)c2c(C)noc2n1 77298631 OMPHLLOZPYWJIF-UHFFFAOYSA-N 363.465 2.914 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCCc3csc(N)n3)c2)n1 220641191 NGYGTCTWDAVWLD-UHFFFAOYSA-N 355.467 2.559 0 50 FFAA Cc1ccnn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82145698 OGSHZPVLDZTNCR-IBGZPJMESA-N 363.465 2.843 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@]4(CCCOC4)C3)c2)n1 285817992 FTHBMNTVUMWLAS-OAQYLSRUSA-N 369.465 2.570 0 50 FFAA CN(C)c1ccc(CC(=O)N2CCC(OCc3cccnc3)CC2)cc1 82108388 WZARDIJNXXUFSS-UHFFFAOYSA-N 353.466 2.898 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc(O)n1 289845654 USICZTABBMKFPQ-NSHDSACASA-N 370.331 2.951 0 50 FFAA Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccccc1-n1ccnc1 175980071 BVXCJKIMWUXUKV-GOSISDBHSA-N 364.453 2.751 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c1 426386476 URHRFMJIBYMUNZ-OAHLLOKOSA-N 370.409 2.582 0 50 FFAA Cc1ccc(O)c(-c2ccc(C(=O)NC[C@@H](O)CN3CCCC3)cc2)c1 426537751 UUOUKMSEYWWARF-GOSISDBHSA-N 354.450 2.554 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)c3ccccc3F)CC2)n1C1CC1 82147484 VVVYWLMBFDHDDA-UHFFFAOYSA-N 371.460 2.834 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 220037428 ILNVXTDNFGRSOE-MXNKGDRCSA-N 367.493 2.732 0 50 FFAA O=C(C1CCC1)N1CCCn2nc(CNc3cc(C4CC4)ncn3)cc2C1 82120141 QXFQFUYBFXHRRF-UHFFFAOYSA-N 366.469 2.695 0 50 FFAA C[S@](=O)c1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 148920228 NRHJPSAOZPSGEC-XMMPIXPASA-N 360.826 2.695 0 50 FFAA O=C(NCc1ccc(Cl)s1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 178656876 JDGPLADXFNXLBQ-CABCVRRESA-N 371.934 2.969 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2C2CCCCC2)[C@H]1Cc1ccccc1 91847162 HVYVVESPASYPNT-SFHVURJKSA-N 366.465 2.641 0 50 FFAA COc1ccc(C)cc1NC(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426389541 YSOBVJMZTVPWKJ-HNNXBMFYSA-N 358.442 2.604 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91476490 HHBNSYBOJJAECY-HXUWFJFHSA-N 356.470 2.542 0 50 FFAA O=C(NCCCn1nccc1C1CC1)C1CCN(Cc2ccco2)CC1 95383333 JOGGHZXWFSGCBZ-UHFFFAOYSA-N 356.470 2.772 0 50 FFAA CC(C)C(=O)Nc1cc(NC(=O)N[C@H](C)c2nnc(N)s2)ccc1F 95519907 HLKFIQVCILSJHG-MRVPVSSYSA-N 366.422 2.737 0 50 FFAA CSc1nccc(N2CCC(N[C@@H](C)Cn3nc(C)cc3C)CC2)n1 95375520 YXZIYZDIDLBOOV-AWEZNQCLSA-N 360.531 2.659 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1 95526699 ASBKYIZIPMJXIO-CQSZACIVSA-N 370.482 2.624 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCOCc1ccccc1)C2 91444690 AYPIIZDPHWOECA-RBUKOAKNSA-N 373.497 2.588 0 50 FFAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91587106 KBRLWKZYQRCIAU-UHFFFAOYSA-N 365.424 2.899 0 50 FFAA O=C(NCCc1c(F)cccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1 91644521 QRTMXWXFYDARHQ-LBPRGKRZSA-N 352.837 2.929 0 50 FFAA COc1ccc(C2(CNC(=O)Cc3c(C)nc(C)nc3O)CCCC2)cc1 253536004 BHMVUTWVTAFFNB-UHFFFAOYSA-N 369.465 2.978 0 50 FFAA Cc1noc(C2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)n1 299130900 ZBWZSSKAEADYHA-GOSISDBHSA-N 371.437 2.956 0 50 FFAA Cc1nc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)sc1C 252550848 SYSVIVQMJMUZSM-CQSZACIVSA-N 372.450 2.804 0 50 FFAA CCc1nc(O)ccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 1940195205 OIXVLZTWHRUKJW-UHFFFAOYSA-N 365.477 2.665 0 50 FFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)C2(Cn3ccnc3)CC2)n1 299761615 WWCMZZAQRIEAIE-CQSZACIVSA-N 351.410 2.899 0 50 FFAA COCCN1CCN(C(=O)c2cccc(-c3cc(F)ccc3OC)c2)CC1 299801365 WPFDKYGZPFTRSS-UHFFFAOYSA-N 372.440 2.906 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCO[C@H](c2ccc(F)cc2)C1 299756754 GHXDTNLBPJPGHH-INIZCTEOSA-N 361.442 2.766 0 50 FFAA Cn1c(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cc2c(Cl)cccc21 299793695 ICMGKVHBPMDZBK-ROUUACIJSA-N 361.873 2.503 0 50 FFAA CN1CCN([C@@H]2CCN(C(=O)C3(c4ccccc4)CCCCC3)C2)CC1 299757236 JXOUPPHVYXCEMX-HXUWFJFHSA-N 355.526 2.737 0 50 FFAA Cc1cc(CC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)on1 573925989 OHGMHDSZWDMULE-UHFFFAOYSA-N 361.829 2.554 0 50 FFAA CC(C)N1CCO[C@@H](CC(=O)NCCC2CCN(C3CCCC3)CC2)C1 827812460 QHDNZMWFJNCYBF-FQEVSTJZSA-N 365.562 2.647 0 50 FFAA COCC1CCN(S(=O)(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 670448143 WCAOCTIBIVKMOZ-SFHVURJKSA-N 364.467 2.562 0 50 FFAA CSc1ccc(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cc1 170617409 VTPPMXPQHFGIAQ-UHFFFAOYSA-N 350.469 2.600 0 50 FFAA COCCOc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1 192207400 HZFWPZKDJMDJCA-UHFFFAOYSA-N 366.421 2.987 0 50 FFAA Cc1cc2cccc(C(=O)N3CCCN(c4ncc(C)c(N)n4)CC3)c2o1 1772815196 ZFIOUJFSPVRTOO-UHFFFAOYSA-N 365.437 2.774 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(Cc3cnn(C)c3)C(C)C)no2)cn1 11936925 VYNVMHHYXDRBCL-UHFFFAOYSA-N 369.425 2.741 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCCCC1 12405984 FDJLSZSOSLFCOA-MRXNPFEDSA-N 366.483 2.663 0 50 FFAA CC(C)(C)NC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 12432842 DGBTUEORKAJPBT-MRXNPFEDSA-N 355.442 2.783 0 50 FFAA Cc1cc(Cl)ccc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 13544991 WEMKEIULCRDYJX-UHFFFAOYSA-N 369.899 2.782 0 50 FFAA O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1 13744894 GXDVEMYTFVYDNN-UHFFFAOYSA-N 356.513 2.551 0 50 FFAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccsc1)CC2 14955370 GXSDJEPGYFXOBV-MRXNPFEDSA-N 361.515 2.621 0 50 FFAA COC(=O)CCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cn1 19838574 XPRBIPIEBIDPOZ-UHFFFAOYSA-N 354.366 2.782 0 50 FFAA c1ccc(-c2nccn2[C@@H]2COC3(CCNCC3)C2)c(Cn2cccn2)c1 1857695754 WOHSFDJRSSOVJM-SFHVURJKSA-N 363.465 2.879 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2CCO[C@H]3C[C@H](CO)C[C@@H]32)cc1 1857709935 ZBWDZXIIDYYLPB-JJXUHFIVSA-N 367.445 2.974 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 122720454 KWMVQTQGRNTUOG-MNOVXSKESA-N 369.299 2.609 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2nc(C)n3ccccc23)C[C@@H]1C(=O)O 247929943 CAHIYMCWPVOOBQ-SJORKVTESA-N 365.433 2.952 0 50 FFAA O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 266248448 NETPAYPKDBOTQQ-LLVKDONJSA-N 369.347 2.569 0 50 FFAA CO[C@H]1C[C@@H](CNc2ncc(Cl)cc2F)N(c2cc(C)ncn2)C1 952849694 FLDOOVBQOROQOU-STQMWFEESA-N 351.813 2.678 0 50 FFAA Cc1nn2c(=O)cc(COC(=O)c3ccc4nccc(C)c4c3)nc2s1 1875256191 VZRROFIWBJCAOF-UHFFFAOYSA-N 366.402 2.673 0 50 FFAA C=CC(=O)N[C@H](C)[C@H]1CN(C(=O)CCc2ccc(C(C)C)cc2)CCO1 1875386240 LMWKCKOUULDWLP-VQIMIIECSA-N 358.482 2.661 0 50 FFAA CC(=O)N1C[C@@H](NCc2ccc3c(c2)ncn3C)CC[C@@H]1C(F)(F)F 886051570 FZRBCGHFRDYSJN-XJKSGUPXSA-N 354.376 2.605 0 50 FFAA CC(=O)N1CC(OCc2nnc([C@@H](C)Oc3ccccc3Cl)o2)C1 888076678 FUJUGUDHQLEQHI-SNVBAGLBSA-N 351.790 2.610 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H]3CCC[C@]3(CNc3nc(C)cnc3C)C2)cn1 888103456 ILYWFFLWOMRVPN-JXFKEZNVSA-N 366.469 2.546 0 50 FFAA CN(C)c1nc2ccc(NC(=O)NC[C@@H]3NCCc4ccccc43)cc2o1 2325752349 BKLFPDWNYGIHQR-KRWDZBQOSA-N 365.437 2.902 0 50 FFAA Cn1cc(C(=O)N2CC[C@@H](F)[C@H](O)C2)c2nc(-c3ccccc3)ccc21 2325781338 GTLSWCNDCYRYDW-CRAIPNDOSA-N 353.397 2.785 0 50 FFAA Brc1ccc(-c2noc(-c3cc(C4CCNCC4)[nH]n3)n2)o1 2325787272 OUSXTRJFVNKBIM-UHFFFAOYSA-N 364.203 2.949 0 50 FFAA Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCCc1ccc2c(n1)NCCC2 2325788040 IZEVFZPHEIJUCM-MDZDMXLPSA-N 373.888 2.897 0 50 FFAA O=C([C@@H]1CCCN(C2=NCCN2Cc2ccccc2)C1)N1C[C@H]2CC[C@H]1C2 2325842271 SUKVSZPHOARZJJ-ZCNNSNEGSA-N 366.509 2.581 0 50 FFAA COc1ccc([C@@](C)(NC(=O)c2ccc3cnccc3c2)C(=O)O)cc1 2325865684 MERLHJWASOOMBQ-HXUWFJFHSA-N 350.374 2.973 0 50 FFAA COC(=O)c1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1 624023 JEGLUILFHCPRSD-UHFFFAOYSA-N 360.439 2.522 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 986422 SDXLBDMDOWTGCG-UHFFFAOYSA-N 351.453 2.781 0 50 FFAA Cc1cccc(C(=O)Nc2nnc(SCC(=O)N3CCCC3)s2)c1 1144494 IKICPFDBBMRUJY-UHFFFAOYSA-N 362.480 2.813 0 50 FFAA COc1cccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)c1 2403399 UBHFHCKMFNGIBD-UHFFFAOYSA-N 372.450 2.977 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)Nc2cc(F)ccc2F)C1=O 2356164642 BACPAMVRHFGEQJ-SFHVURJKSA-N 367.396 2.600 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1 3152055 XEQYYMYCWYBELF-IBGZPJMESA-N 364.401 2.641 0 50 FFAA CCCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCOC 4141162 AZLPTJSCGFKASU-QGZVFWFLSA-N 362.426 2.683 0 50 FFAA Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6700215 HJUUREWBYAPZAZ-UHFFFAOYSA-N 363.439 2.718 0 50 FFAA COC(=O)c1ccc(NC(=O)CSc2nnc(CC(C)C)n2C)cc1 6700999 HMURIHLGKFOIQA-UHFFFAOYSA-N 362.455 2.531 0 50 FFAA Cc1ccsc1CN(CCN(C)C)C(=O)CCC(=O)NC1CCCC1 55168223 AYJMTPSOIBADQC-UHFFFAOYSA-N 365.543 2.786 0 50 FFAA CN(CCCc1nccn1C)C(=O)c1ccc(CSc2ncccn2)o1 55307434 NDXNCXHAGVVIAO-UHFFFAOYSA-N 371.466 2.800 0 50 FFAA Cc1ccc(Cl)c(CN2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)c1F 107399748 PZHUCKXEFMYQHO-LJQANCHMSA-N 367.896 2.916 0 50 FFAA Cc1cc(C)c2c(c1)c1nnc(SCCN3CCOCC3)nc1n2C 20029446 NXRKOIDKRDSGFX-UHFFFAOYSA-N 357.483 2.558 0 50 FFAA O=C(NCCc1nc2ccccc2[nH]1)c1cc(COc2ccccc2)[nH]n1 67934061 OGXGBTZXYXNGLR-UHFFFAOYSA-N 361.405 2.838 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 67956179 SYTUVDFSTDXJPZ-HNNXBMFYSA-N 363.421 2.516 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1Cl 67338649 IMSDCXUBBURTNG-ZDUSSCGKSA-N 358.891 2.815 0 50 FFAA Cc1ccc2cc(CN(C)Cc3nc(C)no3)c(N3CCOCC3)nc2c1 67755598 ICWMGMWDYNVJPH-UHFFFAOYSA-N 367.453 2.703 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](OCc2ccncc2)C1 172249973 XNDLJCQSGZOKCM-QGZVFWFLSA-N 350.422 2.557 0 50 FFAA CN1CC[C@](C)(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67757945 LHBNPQFIBOARKH-IBGZPJMESA-N 360.433 2.542 0 50 FFAA Cn1c(=O)oc2cc3c(cc21)[C@H](c1ccc2cccc(O)c2n1)CC(=O)N3 65381709 SFQFDKFYAVQBOL-GFCCVEGCSA-N 361.357 2.859 0 50 FFAA O=C(OC[C@@H]1CCCCN1c1cnccn1)c1ccc(-n2cccn2)cc1 252496939 PVSLUMIGIPJDNM-SFHVURJKSA-N 363.421 2.878 0 50 FFAA Cc1cc(C)c(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)c(-n2cccn2)c1 72478297 MTSTVKCWNVOCSQ-FQEVSTJZSA-N 354.454 2.906 0 50 FFAA O=C(C[C@@H]1COCCN1Cc1ccc(-c2ccccn2)cc1)N1CC=CC1 72427183 RGMIGXTWKWSRLN-HXUWFJFHSA-N 363.461 2.738 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 237963278 UYWQRDVXUKKWFN-JSGCOSHPSA-N 351.830 2.995 0 50 FFAA CCn1cccc(CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1=O 434275150 GOSGQYCYKGNLQD-QFBILLFUSA-N 369.465 2.835 0 50 FFAA O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccnc(C(=O)O)c1 261798161 LOSSWBQOTWCIQU-SJORKVTESA-N 356.378 2.714 0 50 FFAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1ccoc1C1(O)CCOCC1 370204638 RZKFRZVAMAHCFC-CGTJXYLNSA-N 353.418 2.736 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 72123819 FBJJVKPXBWINNL-UHFFFAOYSA-N 355.829 2.955 0 50 FFAA COc1ccc(N2CCN(Cc3noc(-c4ccco4)n3)[C@@H](C)C2=O)cc1 77287313 OGIPCPSVPIGFGZ-ZDUSSCGKSA-N 368.393 2.576 0 50 FFAA O=C(c1ccc2c(c1)ncn2CCO)N1CC[C@H](c2ccccc2F)C1 77420504 HAJUBUJOWCKSKA-HNNXBMFYSA-N 353.397 2.797 0 50 FFAA CCN1CCN(Cc2cccc(-c3ccccc3)c2)[C@H]2CS(=O)(=O)C[C@H]21 77285826 OIXZUOBQKYQGTO-RTWAWAEBSA-N 370.518 2.657 0 50 FFAA CN(C)c1ncccc1NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 173741038 FPZWCKJYGMKERB-UHFFFAOYSA-N 359.817 2.583 0 50 FFAA CCn1cc(CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cn1 334095426 RGRUTBUWIKIGIX-CQSZACIVSA-N 374.407 2.794 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 82138398 FPHFAURJWGSJGL-KRWDZBQOSA-N 369.400 2.532 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H]3COCC[C@@H]3Oc3ccccc3)ccc2[nH]1 222941255 LGMVVEBQKOFEAX-MOPGFXCFSA-N 351.406 2.838 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)NCCC3=CCCCC3)CC2)n1 134757241 KPFIFJQOSSLBKZ-UHFFFAOYSA-N 373.501 2.988 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)[nH]n2)c1 263454272 UDLQHFRBIGFVJC-ZDUSSCGKSA-N 357.410 2.802 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1ccccc1C(F)(F)F 426538373 NLCIIWWPBBDWKF-CQSZACIVSA-N 366.387 2.685 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCO1 178279556 PJENCWHHYFURCE-INIZCTEOSA-N 360.797 2.691 0 50 FFAA CCC[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@H]1NC(C)=O 82133520 KELROQBTNYTYKS-SJLPKXTDSA-N 360.479 2.765 0 50 FFAA O=C(CSc1ccc2nncn2n1)Nc1ccc(Br)cc1 44902281 LMKULNOLOXNYHU-UHFFFAOYSA-N 364.228 2.618 0 50 FFAA CC(C)(C)n1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N2CCCC2)c1 82125873 APLIGCMPSNPDQN-HOTGVXAUSA-N 364.465 2.601 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2ncccc2O)C3)cc1 91626387 WJCYMXQJHLGPEW-DLBZAZTESA-N 367.449 2.532 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 92061643 MRTJXHCJGIBMGM-XJKSGUPXSA-N 371.462 2.608 0 50 FFAA O=C(C1CCOCC1)N(Cc1ccncc1)Cc1ccc2c(c1)OCO2 97425453 VWVOJFAQUYJNQN-UHFFFAOYSA-N 354.406 2.766 0 50 FFAA Cc1c[nH]c(CN(C)[C@@H](C(=O)O)c2ccc(NC(=O)N3CCCC3)cc2)n1 95376917 VHTMSWGPHBRGQM-QGZVFWFLSA-N 371.441 2.604 0 50 FFAA COc1cc(CN2CCC2)ccc1OC[C@H](O)CN1CCCCCCC1 95524953 HRHQFUJODADPBH-LJQANCHMSA-N 362.514 2.907 0 50 FFAA O=C1CCC2(CCN(CCSc3ccccc3)CC2)CN1CCCO 91468536 DOFYCAPQFGPNJB-UHFFFAOYSA-N 362.539 2.866 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)c2cccc3nccnc23)CC1 97505596 CBCGTBZDNHFAKO-UHFFFAOYSA-N 362.433 2.991 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCCO[C@@H](CN4CCOCC4)C3)oc2c1 91410421 BZPCSNITJBFCMJ-KRWDZBQOSA-N 372.465 2.613 0 50 FFAA CN(c1ccccc1)S(=O)(=O)NC(=O)CCc1ccc(Cl)cc1 239359533 AEOHLJNTRBSONZ-UHFFFAOYSA-N 352.843 2.770 0 50 FFAA C/C=C/CC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91459786 YFUDOBXVSCSIND-NSCUHMNNSA-N 354.458 2.530 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91873268 DNQNFAVNNALFEJ-PKOBYXMFSA-N 370.522 2.992 0 50 FFAA COc1cccc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)c1 92001981 BKVPREYITLVVOG-JKSUJKDBSA-N 374.506 2.647 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCOc2ccccc2C1 95528342 AJVOUYIKBXQYDL-MRXNPFEDSA-N 368.433 2.642 0 50 FFAA COCc1nc(O)cc([C@H]2C[C@@H](NC(=O)Cc3ccccc3Cl)C2)n1 240499973 NPWVGOIDUZCRAV-BETUJISGSA-N 361.829 2.587 0 50 FFAA O=C(CCc1nc2cc(F)ccc2[nH]1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244794786 QTKZAWXITNWLCR-TUXXCZFBSA-N 368.412 2.658 0 50 FFAA CC(C)Cn1ccc2c(OCC(=O)NCCCN3CCOCC3)cccc21 252481096 CHSHKOASYRUPPQ-UHFFFAOYSA-N 373.497 2.515 0 50 FFAA Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCOC[C@H]1C(=O)O 299750561 NWOAEPNMAPIYFA-LBPRGKRZSA-N 366.826 2.698 0 50 FFAA C[C@H](NC(=O)c1nn(C)cc1I)[C@@H]1C[C@H]2CC[C@H]1C2 102616561 IFZNMBRSZLXSSZ-NAKRPEOUSA-N 373.238 2.579 0 50 FFAA C[C@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2F)cc1)N1CCOCC1 65504577 YYKREDDKKROAHN-CYBMUJFWSA-N 364.442 2.533 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 298617282 UFNJWSDITHCKOG-ZDUSSCGKSA-N 364.492 2.707 0 50 FFAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc(Cl)s3)[C@H](O)C2)cs1 299755177 CXQCYHOQSGPCAA-VXGBXAGGSA-N 371.915 2.532 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)nc2c1CCC2 299792569 GFVWJMUTZHAVSI-LBPRGKRZSA-N 352.438 2.961 0 50 FFAA CCS(=O)(=O)NC[C@@H](C)N1CCC(Oc2cccc(Cl)c2)CC1 823412724 MDJNJOVIUQISEY-CYBMUJFWSA-N 360.907 2.511 0 50 FFAA O=C(Nc1ccccc1OCCOc1ccccc1)N1CC[C@@H]2CNC[C@@H]21 1076052966 KXFPPJCMDRTLTC-APWZRJJASA-N 367.449 2.970 0 50 FFAA Cc1ccc(NC(=O)CCOc2ccccc2)cc1NC(=O)CN(C)C 952985572 CNHAKZXFPBLTDZ-UHFFFAOYSA-N 355.438 2.903 0 50 FFAA CCc1nnc(S)n1CCNC(=O)c1cc2c(F)cccc2s1 170641474 ZEFDKLGJZMGJSY-UHFFFAOYSA-N 350.444 2.913 0 50 FFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C1 190437053 CZZBKGFFDQPDGU-INIZCTEOSA-N 368.437 2.796 0 50 FFAA Cc1cc(C[C@H]2CN(C(=O)c3ccc(N4CCCCC4)cc3)C[C@@H]2O)on1 1615963641 UUMVEUKDLDNTBK-PXNSSMCTSA-N 369.465 2.649 0 50 FFAA COc1ccccc1CN1CCCN(C(=O)[C@H]2CCCCCN2C)CC1 1772807845 CJSQYWMMKKQGLC-LJQANCHMSA-N 359.514 2.604 0 50 FFAA Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)s1 1775984220 KIPOTESPDZVVGH-UHFFFAOYSA-N 370.521 2.655 0 50 FFAA CCn1ncc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(C)no2)c1C 12159384 GQUGEHNLZPMILH-CQSZACIVSA-N 352.460 2.814 0 50 FFAA O=C(NCC1CC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12300393 JERSHIMECYCBJP-NRFANRHFSA-N 369.553 2.932 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)n1 12749546 PUIPVZIFVOPUKA-OAHLLOKOSA-N 355.413 2.811 0 50 FFAA COc1cccc2c1OCCCN(Cc1nc(-c3ccccn3)no1)C2 14957697 XVLSESBRMLDWLV-UHFFFAOYSA-N 352.394 2.925 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)c1 19773730 MTDLBEIEBPVYSZ-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA CC(C)NC(=O)c1ccc([C@H]2CCCN2C(=O)/C=C/c2cnn(C)c2)s1 19782051 QBNBIGQQZABWJA-RZIFZGNASA-N 372.494 2.997 0 50 FFAA COc1cc(Cl)c(CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1OC 19835824 IGIUCFBAEXQMFN-INIZCTEOSA-N 370.921 2.882 0 50 FFAA CN1CCCC[C@H]1CC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857677758 CBXJDXOUMRFADW-SFHVURJKSA-N 366.509 2.889 0 50 FFAA COCCn1cnnc1Cn1ccnc1-c1ccc2cccc(F)c2n1 1857687218 RQQUHRVHQFYDHF-UHFFFAOYSA-N 352.373 2.524 0 50 FFAA Cn1ccnc1CNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857697253 MFYQRIHVZQVZLJ-GFCCVEGCSA-N 373.844 2.748 0 50 FFAA c1ccc([C@H]2COC[C@H]3CN(c4ncnc5sccc45)CCN23)cc1 1857706613 WUUPADLWTJKBAW-NVXWUHKLSA-N 352.463 2.953 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)c1C 1857708453 VDRHDEGDXABLLI-SJLPKXTDSA-N 363.502 2.516 0 50 FFAA Cc1ccc(C(=O)O)c(N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1857720155 GXLOCDNOBRJTTH-DNVCBOLYSA-N 363.417 2.676 0 50 FFAA Cc1c[nH]ccc1=NC(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328646047 ZYTQSPJINZODGW-GFCCVEGCSA-N 367.375 2.754 0 50 FFAA O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@H](Nc2ccc3nccn3n2)C1 329103110 NOZJGFNPBLNQLN-FJIDUMEYSA-N 367.497 3.349 0 50 FFAA O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)CC2CCCC2)nn1 19148681 DAENOGZXVHOGIQ-KRWDZBQOSA-N 373.501 2.522 0 50 FFAA C[C@]1(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)CC1(F)F 263099497 CRMILMWIBTWBRQ-CXAGYDPISA-N 366.364 2.750 0 50 FFAA CCc1nc(CN2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)n[nH]1 952886736 ACXNGIUOFMWDFA-QGZVFWFLSA-N 366.469 2.743 0 50 FFAA CCC(=O)N(c1nnc(SCCCc2cncn2C)s1)C1CC1 1875267158 QHRGNZHPOYRTKF-UHFFFAOYSA-N 351.501 2.902 0 50 FFAA O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCCC3(CC2)CC3)cc1 1875295173 SGBCOPSWMIMNGH-UHFFFAOYSA-N 365.451 2.689 0 50 FFAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CC[C@@H](CO)[C@H](O)C1 1875261188 UIRBXAKZPJCCHQ-SUMWQHHRSA-N 368.458 2.779 0 50 FFAA CCc1ccc([C@H](C)C(=O)N2CCOC3(CCS(=N)(=O)CC3)C2)cc1 1875396145 XAYFMKKJTMCBJK-GBJICBLASA-N 364.511 2.791 0 50 FFAA C[C@@H]1CN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C[C@@H](c2ccccc2)O1 895876293 PMNKHHVFBBQXJO-ZMYBRWDISA-N 354.454 2.779 0 50 FFAA O=C(CCC(F)F)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 2325760077 CXFITXPZXFORIO-QGZVFWFLSA-N 351.441 2.845 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(c2cc(N4CCC(C)(O)CC4)ncn2)C3)cc1 2325780729 KXUFVCCASOQLQY-PGRDOPGGSA-N 364.493 2.914 0 50 FFAA O=C1CC[C@H](CNC[C@@H](c2ccc(F)cc2Cl)C(F)(F)F)C(=O)N1 2325802055 DYCKHMAZEXFHAV-KCJUWKMLSA-N 366.742 2.767 0 50 FFAA NC(=O)NC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 538520 SARMXBVJUDMWKA-UHFFFAOYSA-N 355.177 2.972 0 50 FFAA in-man CCc1ccccc1N(CC(=O)Nc1ccc(OC)cc1)S(C)(=O)=O 786433 DPUDRLMYHSWXOU-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA CCN(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1116949 AGYHVVMSRHOOCG-UHFFFAOYSA-N 360.479 2.630 0 50 FFAA Cc1ccc(N(C(=O)COc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 1165539 NPDQTMROOATGIZ-QGZVFWFLSA-N 357.431 2.718 0 50 FFAA CCc1nnc(N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)o1 2356156956 YBMGLHLPFZOJAJ-UHFFFAOYSA-N 359.426 2.718 0 50 FFAA O=C1NCCC[C@]12CN(Cc1ccc3c(c1)Cc1ccccc1-3)CC[C@H]2O 2356160530 WQOPMXWHOQEJNW-FYYLOGMGSA-N 362.473 2.721 0 50 FFAA Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(C(=O)O)c3)CC2=O)c1 4610544 XPAWFCLTBQNUFH-HNNXBMFYSA-N 352.390 2.993 0 50 FFAA CC1(C)CN(CCNC(=O)N[C@@H]2CCc3c(Cl)cccc32)CCO1 171179136 LZWXRVJJYFHNRK-MRXNPFEDSA-N 351.878 2.737 0 50 FFAA COc1cccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)c1 20515859 VPICAIZNQAYUFB-IBGZPJMESA-N 372.513 2.611 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)nc(N)n1 65397520 GZMVHVSVZCQUIU-HXUWFJFHSA-N 350.422 2.838 0 50 FFAA CN(C(=O)c1cc(CN2CCOCC2)on1)[C@H]1CCCc2ccccc21 67894654 LMMIXASMSTYAQN-IBGZPJMESA-N 355.438 2.656 0 50 FFAA Cc1ccc(OC2(C(=O)N3CCC(N4CCCC4)CC3)CCNCC2)cc1 65406766 GPKVNUOUWVIGRV-UHFFFAOYSA-N 371.525 2.583 0 50 FFAA COc1cc2ncn(Cc3ccc(F)c(F)c3F)c(=O)c2cc1OC 32511640 BKEOHUIPWKSCDQ-UHFFFAOYSA-N 350.296 2.879 0 50 FFAA C[C@H]1C[C@H](O)CCN1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 252551082 TYTXIXRLIIGMPI-WMLDXEAASA-N 354.454 2.533 0 50 FFAA CNc1nc(C)c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)s1 77487758 AQDPCONZLXRUCC-MRXNPFEDSA-N 359.495 2.949 0 50 FFAA O=S(=O)(O)c1cc(OS(=O)(=O)c2ccccc2)cc2ccccc12 3001606 TWDFOSWRLNTLAA-UHFFFAOYSA-N 364.400 2.854 0 50 FFAA COc1ccc(-c2ccc(C(=O)NC[C@@H]3CCN(CC(C)C)C3)cn2)cn1 71747184 MCTVTJXUABWCAC-INIZCTEOSA-N 368.481 2.860 0 50 FFAA COc1cccc(C2=NO[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 4434920 RUSNEHISXMHECV-GOSISDBHSA-N 356.378 2.844 0 50 FFAA Cc1ocnc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72410105 WHROKPZDXUUTCJ-GOEBONIOSA-N 373.478 2.740 0 50 FFAA O=C(c1cccc(CC2CCNCC2)c1)N1CCC[C@H]1Cn1cccn1 72166264 JOKQQAIRARNALR-FQEVSTJZSA-N 352.482 2.730 0 50 FFAA COCc1noc([C@@H](C)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 331826061 NFNVTAJIMQJHEH-NXEZZACHSA-N 359.352 2.899 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCN(C2CCCCCC2)C1 72150848 IEUOWOVFXYNBMC-HNNXBMFYSA-N 355.504 2.757 0 50 FFAA CCOc1ccc(-c2noc(CN3CCC4(CCOC4=O)CC3)n2)cc1 368397903 PSOCUYXHLQIBMW-UHFFFAOYSA-N 357.410 2.664 0 50 FFAA CN(C)CCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)C[C@H]1CCCO1 77319191 PTEUVAOLQDQZFH-OAHLLOKOSA-N 363.889 2.724 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccc(C(=O)O)o1 219679008 ALBTXBMGBXKMDY-UHFFFAOYSA-N 363.391 2.548 0 50 FFAA N[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 72168426 OQZQTMJWBJKOSP-OAHLLOKOSA-N 363.889 2.532 0 50 FFAA Cc1nnc(CN2CCC[C@@]3(CCC(=O)N(CCc4ccccc4)C3)C2)o1 77393903 VHOZFFCQZAAZOW-OAQYLSRUSA-N 368.481 2.825 0 50 FFAA Cc1ccc(OCC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 219279516 XSFDABQMPIYLSS-RWWKDMOOSA-N 367.445 2.937 0 50 FFAA COc1ccc([C@@H](N)CC(=O)N2CCC(c3ccncc3)CC2)cc1OC 77486985 OGVAYJYCJGGFAW-SFHVURJKSA-N 369.465 2.895 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cccc(-n2cnnc2)c1 215466109 FQCDQJSIHGTQLA-UHFFFAOYSA-N 352.442 2.934 0 50 FFAA CCOC(=O)c1cccnc1N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72156737 UYXGTQCXIIUVPY-FQEVSTJZSA-N 351.406 2.749 0 50 FFAA CC[C@H]1CN(C(=O)c2cn(CC)nc2C)CCC(=O)N1Cc1ccccc1 72169114 WJAQDEQDMNPUAL-SFHVURJKSA-N 368.481 2.865 0 50 FFAA COC[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C)o1 173701513 FXEMVCBEVPVVFZ-SFHVURJKSA-N 370.449 2.944 0 50 FFAA O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1CNCCO1 238113908 MTABTIHQCVQRME-INIZCTEOSA-N 353.447 2.814 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Cc3c(C)[nH]c4ccccc34)C2)cc(=O)[nH]1 82147618 SCPQXRZAPJXACB-HNNXBMFYSA-N 364.449 2.817 0 50 FFAA COc1ccc(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)cc1F 263496915 YAFQFDQRMCZIGP-KRWDZBQOSA-N 359.397 2.921 0 50 FFAA O=C1C[C@H](c2cn[nH]c2-c2ccc(F)cc2)C2=C(C3CCC3)NNC2=N1 198161593 PMOGQEDNEHEXGM-CYBMUJFWSA-N 351.385 2.790 0 50 FFAA CCCc1cn(CC2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)nn1 48422395 OAEBSTBMJKBVKB-GOSISDBHSA-N 368.481 2.721 0 50 FFAA COc1ccc(NC(=O)c2cn3nc(-c4ccncc4)nc3nc2C)cc1 220134083 LQCNDJXFISRCKQ-UHFFFAOYSA-N 360.377 2.756 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)N[C@H]3COC4(CCCCC4)C3)c2)n1 426545134 QOYGYTODKKRLFR-MRXNPFEDSA-N 370.457 2.973 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)Nc1cc(-n2cnnc2)ccc1F 426399172 GSDNTDGNECGCIY-UHFFFAOYSA-N 371.420 2.830 0 50 FFAA CCCCSc1ncc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cn1 426627867 WUKHDEQSGXXSSG-SOLBZPMBSA-N 351.516 2.873 0 50 FFAA CCCn1nc(C)c(S(=O)(=O)N(C)Cc2c(C)nn(CC)c2C)c1C 20602472 LQZOROHCXUVAKS-UHFFFAOYSA-N 367.519 2.564 0 50 FFAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cnc2c(O)cccn2c1=O 97776064 PJTBZRWJFTVTSW-INIZCTEOSA-N 366.421 2.799 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)c1cccc(F)c1 95388459 OAGDZTSMXSGFON-QGZVFWFLSA-N 360.433 2.828 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)N[C@H]3COC[C@@H]3N3CCCC3)c2c1 95510068 LPVNJCJUGULMSL-OALUTQOASA-N 353.466 2.753 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)N1CCC(CCc2ccccc2)CC1 426405235 ZMJPQUBJGDCQNP-OAQYLSRUSA-N 373.541 2.888 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](c2ncnn2Cc2c(F)cccc2Cl)C1 91626344 SEWTYAWQLARMIJ-GFCCVEGCSA-N 365.840 2.980 0 50 FFAA C[C@@H](Cn1ccnc1-c1cn(C2CCNCC2)nn1)N(C)c1ccccc1 91535749 NKNQKZOMUXRDBE-INIZCTEOSA-N 365.485 2.591 0 50 FFAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 95386711 DXPZOPMQLVNTSL-OAHLLOKOSA-N 352.438 2.727 0 50 FFAA O=C(CN1C(=O)CCc2ccccc21)N(CC1CCC1)C[C@H]1CCCO1 95522251 URPPJEZXPIYXLY-GOSISDBHSA-N 356.466 2.774 0 50 FFAA C[C@H](Nc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1)c1ccccc1 96159715 OLKFMLOXABJPCU-AWEZNQCLSA-N 370.453 2.849 0 50 FFAA Cc1c(CN(C)Cc2cc(C3CC3)on2)c(=O)n(-c2ccccc2)n1C 97514177 IEUZAYDJAMXYMS-UHFFFAOYSA-N 352.438 2.982 0 50 FFAA Cc1ccc2nc(CCNC(=O)[C@H](c3cccc(F)c3)N(C)C)[nH]c2c1 91519367 YJQNQRGMFPXOLE-IBGZPJMESA-N 354.429 2.972 0 50 FFAA Cc1noc(CN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)n1 91745477 NFBLAYXFHFEKFE-UHFFFAOYSA-N 354.454 2.783 0 50 FFAA O=C(NCCc1ccccc1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91536785 DIXHJUKZBGMTRV-OAQYLSRUSA-N 355.482 2.663 0 50 FFAA COc1ccccc1-c1noc(CCCc2nc([C@@H]3CCOC3)no2)n1 96147958 WUUSBEJGFSJKRI-GFCCVEGCSA-N 356.382 2.807 0 50 FFAA Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1Cl 239254623 YNKZVSRQWTVSBC-UQBFBZJBSA-N 370.836 2.640 0 50 FFAA COc1cc(C)c(CN2CCC(n3cc(C[C@H](C)O)nn3)CC2)cc1C 23619574 TZXLOHDEXMVOEH-INIZCTEOSA-N 358.486 2.664 0 50 FFAA COc1nn(C)c(C)c1NC(=O)N(C)[C@H](C)c1ccc2c(c1)OCCO2 96180401 BTKNTMAFOZEXOE-LLVKDONJSA-N 360.414 2.733 0 50 FFAA Cc1ncncc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 91649938 XELIBZSWHNHNBA-UHFFFAOYSA-N 368.466 2.506 0 50 FFAA Cc1c(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)[nH]c2ccccc12 97797453 ZHNNMMKVJNCFTH-GOSISDBHSA-N 351.381 2.929 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)C1CCOCC1 237563889 BLAXQCIENZDDLD-UHFFFAOYSA-N 360.332 2.505 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N(C)CCc1scnc1C)CC(=O)N2 91468867 ROSXJUAGAZUROZ-AWEZNQCLSA-N 359.451 2.587 0 50 FFAA CCC[C@H]1CN(C(=O)c2cnc(N3CCCCC3)nc2C)C[C@@H]1N(C)C 91689902 KECRIZCBHUTYIH-WMZOPIPTSA-N 359.518 2.578 0 50 FFAA CN(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)cc1 244882692 XWPYRLONZQTZEN-WMQCIHAUSA-N 367.493 2.579 0 50 FFAA O=C(CCC(=O)N1CCCCCC1)NCc1nncn1C1CCCCC1 240203803 JTOHBJNEKGBFKF-UHFFFAOYSA-N 361.490 2.582 0 50 FFAA Cc1c(C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)c2cc(O)ccc2n1C 253378504 KTSBTGVLYXUMAW-HDJSIYSDSA-N 353.426 2.698 0 50 FFAA CC(C)[C@H](CNC(=O)N1CCC(Oc2ccccc2F)CC1)N(C)C 534676836 MMZPNAAFERKSPN-KRWDZBQOSA-N 351.466 2.965 0 50 FFAA COc1cccc(N2CCN(C(=O)NCCCc3ccco3)[C@H](C)C2=O)c1 534574575 YTUYNAWLRMXBNI-OAHLLOKOSA-N 371.437 2.668 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 299774206 ADMKUXTZFNUPIL-CYBMUJFWSA-N 362.861 2.930 0 50 FFAA Cc1nonc1CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 299764842 NDYCXRAAUXRVDD-CQSZACIVSA-N 356.209 2.827 0 50 FFAA COCCCn1cnnc1CNC(=O)c1cc(C(F)(F)F)ccc1C 299785503 SONOVXSSJNDMQQ-UHFFFAOYSA-N 356.348 2.572 0 50 FFAA C[C@@](O)(CCCO)CNC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 299758248 QGRCFEOPGHCQST-HXUWFJFHSA-N 368.437 2.671 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)n1C(F)F 299767302 FXLYIZUJBQAWQH-CQSZACIVSA-N 355.429 2.501 0 50 FFAA CSc1ncc(CNS(=O)(=O)c2ccc3nc(C)sc3c2)n1C 824959866 XZDXGWCOWOTGEI-UHFFFAOYSA-N 368.509 2.539 0 50 FFAA O=C(NCc1nc(O)n[nH]1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 584902871 YTCVOZMODACNER-ZDUSSCGKSA-N 357.414 2.536 0 50 FFAA CC[C@@H](NC(=O)N1CC(c2ccncc2)C1)c1ccc(S(C)(=O)=O)cc1 584884747 SJFYKPFNSBMOQO-GOSISDBHSA-N 373.478 2.745 0 50 FFAA COc1ccc(CCN(Cc2ccccc2F)C(=O)Cn2nccn2)cc1 952868870 VCSYRLHVVVFYDU-UHFFFAOYSA-N 368.412 2.697 0 50 FFAA Cc1ccccc1-c1noc([C@H](C)NC(=O)CCCN2CCCC2=O)n1 952978120 WWGCQPIUSVXGDF-AWEZNQCLSA-N 356.426 2.625 0 50 FFAA CC[C@H]1C(=O)N([C@@H]2CCOc3c(Br)cccc32)C(=O)N1C 408517022 QOFUHZBQYDSNOG-NWDGAFQWSA-N 353.216 2.945 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)[C@@H](C)c2cccnc2)C2CCOCC2)n1 275276874 JYKRNWSOJJEFTH-BBRMVZONSA-N 358.442 2.976 0 50 FFAA O=S(=O)(Cc1noc2ccccc12)N[C@H]1CCN(CC2CCCC2)C1 185858332 DVXLCHRCBABXTO-HNNXBMFYSA-N 363.483 2.512 0 50 FFAA C[C@H]1CCC[C@@]2(C1)NC(=O)N(Cc1cnn(Cc3ccccc3)c1)C2=O 170592501 MVWNRDPWCMMQMX-YWZLYKJASA-N 352.438 2.932 0 50 FFAA CN(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 195229074 CWFYKFOVLRXDDE-FGTMMUONSA-N 369.444 2.782 0 50 FFAA Nc1n[nH]c(SCC(=O)N2CCCC[C@H]2CCc2cccs2)n1 1506428819 TXXWZYNHDHZFCC-NSHDSACASA-N 351.501 2.554 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc2c1 1529119520 JGRLTPLBJNIXOA-DNVCBOLYSA-N 351.406 2.559 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529114967 VHHGUGYVLJEUQU-IEBWSBKVSA-N 364.449 2.504 0 50 FFAA CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)c1C 1704297662 COVQEQVELCYIRG-DNVCBOLYSA-N 364.449 2.504 0 50 FFAA Cc1c(CC(=O)NC[C@H](C)O)c2c(n1Cc1ccccc1F)CCCC2=O 12315381 JPDCOLYPUFXNKR-ZDUSSCGKSA-N 372.440 2.542 0 50 FFAA CCCS(=O)(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12581138 OHFWXPPAJAFBBN-SFHVURJKSA-N 356.532 2.621 0 50 FFAA CC(=O)c1cccc(CN2CCC(CCC(=O)NCCN(C)C)CC2)c1 12718081 AGFIEVCQJZJFAO-UHFFFAOYSA-N 359.514 2.559 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12750739 YTMLHXDLJONCIT-QGZVFWFLSA-N 355.438 2.936 0 50 FFAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)c2ccncc2)CC1 1857675513 BJWKTMVLCWUFKN-IPELMVKDSA-N 355.482 2.876 0 50 FFAA O=C1CC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)OCCN1 1857690946 WDQITLZYYSYFOL-UHFFFAOYSA-N 357.237 2.505 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4ccccc4)[C@H]4CC[C@]3(C2)O4)o1 1857732978 PJSZZAMITRYPAS-GPQLQYNLSA-N 366.461 2.997 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc3sc(=N)[nH]c3c1)C2 1857739478 LJHTXAVTJIGXQG-UHFFFAOYSA-N 353.451 2.952 0 50 FFAA CCn1cc(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)nc1C 331977044 LTPDIWMHSBCDSH-UHFFFAOYSA-N 357.838 2.751 0 50 FFAA C[C@H]1[C@@H](C)N(C(=O)N[C@H]2CCCCc3ccccc32)CCS1(=O)=O 241383273 MTWYCSXTQVTKDS-KEYYUXOJSA-N 350.484 2.671 0 50 FFAA COC[C@]1(C)CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)C1 452358820 FSIJAQCQAYPRFK-MRXNPFEDSA-N 371.359 2.803 0 50 FFAA O=C1CC[C@@H]2CN(CC3CCNCC3)CC[C@@H]2N1CCc1ccccc1 247955876 NIVWQNVVTHHJDE-RTWAWAEBSA-N 355.526 2.542 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc[nH]2)(c2ccccc2)CC1 847621719 QLKYHNGVFPKXNC-MRXNPFEDSA-N 351.450 2.938 0 50 FFAA CO[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O)[C@H]1CCOC1 857569645 SYIWNGKSFZPSIE-SWLSCSKDSA-N 360.435 2.504 0 50 FFAA O=C1CC[C@@](C(=O)N2CC[C@@H](c3cccc(O)c3)C2)(c2ccccc2)CN1 1875267925 ABROZDKAVDUEIF-VGSWGCGISA-N 364.445 2.556 0 50 FFAA Cc1nc(C2CN(C(=O)NCc3nc4c(s3)CC(C)(C)CC4)C2)no1 1875301733 RJPUWSJIXLUNOL-UHFFFAOYSA-N 361.471 2.658 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(-c3ccc(C)cc3)no2)C1 888077620 LWALQSCGFVMDFY-GDBMZVCRSA-N 352.394 2.975 0 50 FFAA CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 1063321 VGJPDJCPKWNYDR-IBGZPJMESA-N 358.463 2.937 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20051449 ZTYKGSRCJAPNCS-MRXNPFEDSA-N 363.845 2.607 0 50 FFAA COC(=O)c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 2890019 UEELVVNQPFROIB-HNNXBMFYSA-N 356.403 2.915 0 50 FFAA Cc1ccc([C@@H]2CCCC[C@H]2C(=O)N[C@@H](Cc2cnn(C)c2)C(=O)O)cc1 2325802875 BYXPMFSNIXOLHK-OTWHNJEPSA-N 369.465 2.814 0 50 FFAA CCOC(=O)c1nnc(CNCc2cn(CC)nc2-c2ccccc2)s1 2325805946 HFPNXSKSGIZNPK-UHFFFAOYSA-N 371.466 2.888 0 50 FFAA Cc1nc2c([nH]1)C[C@@H](N=c1[nH]c3cc(Br)ccc3n1C)CC2 2325858148 ASFNTMSMKAHHHK-NSHDSACASA-N 360.259 2.759 0 50 FFAA CCc1ccc(S(=O)(=O)N2CC(c3ccc(C(=O)O)cc3)C2)s1 2325870239 ONBTWHGZHGOXHG-UHFFFAOYSA-N 351.449 2.797 0 50 FFAA Cc1cc(C(=O)N[C@H](C)c2ccc(C(=O)O)cc2)nc(C(F)(F)F)n1 2325870711 LMOKDPVKTSMUBF-SECBINFHSA-N 353.300 2.993 0 50 FFAA Fc1cccc(N2CCC[C@H](Oc3cc(N4CCOCC4)ncn3)C2)c1 2325900066 JTHLBKNPSIFGTD-KRWDZBQOSA-N 358.417 2.500 0 50 FFAA CC(C)c1nc2c(n1C)CCN(C(=O)NCCc1cn3ccccc3n1)C2 112741821 MMZJZSDCWDQPSW-UHFFFAOYSA-N 366.469 2.502 0 50 FFAA Cc1c(NC(=S)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 627119 GHBDXIAKKZUHJS-UHFFFAOYSA-N 366.446 2.611 0 50 FFAA CCc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)O)c3)CC2=O)cc1 1072454 HCLNTRIGSCOPFN-OAHLLOKOSA-N 352.390 2.939 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1117269 UZFPDBVYJRPUII-NSHDSACASA-N 368.842 2.702 0 50 FFAA CCCc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1N 2597920 OULMBZTYVUTYHO-UHFFFAOYSA-N 359.377 2.694 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356167988 LCENRSUJLUHINN-LLVKDONJSA-N 374.510 2.730 0 50 FFAA O=C1CCC(=O)N1OCCCOc1ccc(Br)cc1Cl 2868259 JBBHOQRYQRDVRA-UHFFFAOYSA-N 362.607 2.952 0 50 FFAA C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F 3995738 LJLXQHHFAKVTNP-OAHLLOKOSA-N 373.352 2.771 0 50 FFAA in-vitro O=C(Nc1ccncc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6704001 WCUKMZMAWSXHCX-HNNXBMFYSA-N 365.842 2.527 0 50 FFAA CS(=O)(=O)c1ccc(-c2noc(-c3ccn(-c4ccccc4)n3)n2)cc1 109610228 ZTEYKKQLJZCBQL-UHFFFAOYSA-N 366.402 2.993 0 50 FFAA CC(=O)Nc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1C 57460464 RQDNLRJVAHQQTL-UHFFFAOYSA-N 366.465 2.714 0 50 FFAA COc1ccc2[nH]cc(C3CCN(C(=O)Cc4cncnc4)CC3)c2c1 225704869 WIRRGZYOJNDUJW-UHFFFAOYSA-N 350.422 2.915 0 50 FFAA CC(C)Oc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1 55088997 AIPSWZOEQHFJCO-UHFFFAOYSA-N 358.486 2.549 0 50 FFAA CC(=O)[C@@H]1CC(C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)=NN1c1ccccc1 246631044 UTGFSMOAVNAKNE-GDAAHCPNSA-N 370.449 2.957 0 50 FFAA COc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc(Cl)c1OC 20454087 LVZLXUPSEJQPIZ-HNNXBMFYSA-N 356.894 2.634 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1 238124489 LZKOXYFXJHTNLP-IBGZPJMESA-N 352.434 2.913 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@@H]1NC(=O)c2ccccc21 67755408 KCJDFXZOXPBFLW-KRWDZBQOSA-N 352.438 2.512 0 50 FFAA CC[C@H]1C=CCN1C(=O)C1(Oc2ccc3ncccc3c2)CCNCC1 65405307 OQGPKORPTANPLK-KRWDZBQOSA-N 351.450 2.913 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)NCc1nncn1C1CCCCC1 65488658 SRODONKITSGJBB-UHFFFAOYSA-N 356.474 2.634 0 50 FFAA O=C1C[C@@H](c2c(Cl)nc3sccn23)c2c(nc3ccccn23)CN1 65433870 YFQWCTTVUQPXST-SECBINFHSA-N 357.826 2.849 0 50 FFAA CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 252253136 MHUKLNNNZPUOIQ-HKUYNNGSSA-N 373.497 2.889 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@]4(CC3)CN(C)C(=O)O4)[nH]n2)s1 72164730 YUBGCIIGOCQELI-SFHVURJKSA-N 374.466 2.894 0 50 FFAA CCOc1ccccc1C(=O)N1CCN(C(=O)c2c(C)coc2C)CC1 330465310 GANVVLFLDWIYEX-UHFFFAOYSA-N 356.422 2.893 0 50 FFAA CN1C[C@@]2(CCN(Cc3cccc(OCCN4CCCCC4)c3)C2)OC1=O 215777686 VTMQLQRHBMHJCP-OAQYLSRUSA-N 373.497 2.578 0 50 FFAA C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nncn1C1CCCC1 218897866 QPLVLWSZOZMRCT-AWEZNQCLSA-N 365.437 2.586 0 50 FFAA C/C(=C\c1ccccc1)CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C 328631635 RDZZUOAWPRMEBR-BFRZJPPNSA-N 352.482 2.941 0 50 FFAA CN1C(=O)C[C@@H](CNCc2c(F)cccc2Cl)[C@@H]1c1cnn(C)c1 328628949 OFYQWNPYRLDBNJ-APPDUMDISA-N 350.825 2.522 0 50 FFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)CCc2ccoc2)CC1 328624262 CIXLGVNPHXYDPF-KRWDZBQOSA-N 360.458 2.807 0 50 FFAA O=C(NCc1ccccn1)c1cc(NCc2cnn3ccccc23)ccn1 72144053 JTIAQWJEVFGGDO-UHFFFAOYSA-N 358.405 2.666 0 50 FFAA COc1cc(N2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ncn1 71751817 CUTKDFSHYLSXLE-CQSZACIVSA-N 357.410 2.602 0 50 FFAA C[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 363639159 WNFUWZHTMUVFKK-NVXWUHKLSA-N 363.506 2.694 0 50 FFAA O=C(NCCc1c[nH]c2cc(Cl)ccc12)N[C@@H]1CCc2[nH]ncc2C1 154169397 UQYNROVXHDWCCD-CQSZACIVSA-N 357.845 2.944 0 50 FFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](Cc1ccccc1)C(C)C 155340036 ZMPDQHMJZPRVBU-IRXDYDNUSA-N 356.470 2.891 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CCC[C@]4(CNC(=O)O4)C3)oc12 72155965 RPPUFLJEKWWTNV-KRWDZBQOSA-N 364.785 2.809 0 50 FFAA COc1cc(OC)cc([C@]2(F)CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)c1 368479399 SXUBKFZHMSKUPF-XCLFUZPHSA-N 373.428 2.629 0 50 FFAA c1nc(NC2CC2)cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)n1 333981164 BOQDYHSMQAJZCH-AWEZNQCLSA-N 353.474 2.753 0 50 FFAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)CCn2cccc2)CC1 72407769 XJGPDYQIVRBSQG-UHFFFAOYSA-N 356.422 2.711 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[C@H](C(=O)O)C1 237669602 NKXCACOJJKYVMU-AWEZNQCLSA-N 361.829 2.748 0 50 FFAA Cc1ccc([C@H]2CCCCN2C(=O)c2cn(C3CCNCC3)nn2)cc1 237664582 OSTYKAFETJKMCP-LJQANCHMSA-N 353.470 2.878 0 50 FFAA C[C@H](C1CC1)N(C)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 242147465 WSBJKTKHXQZSGC-FSPWUOQZSA-N 367.449 2.517 0 50 FFAA COc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1N1CCCC1=O 132126088 UTSFQXMENDGEAM-ZDUSSCGKSA-N 354.410 2.604 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](OCc2cccnc2)C1 82115737 UTPKWJLMTMTDOJ-SFHVURJKSA-N 356.470 2.572 0 50 FFAA COC(=O)c1ccc(NC(=O)c2csc(NC[C@H]3CCCO3)n2)cc1 44902688 ZJNBYCPZYPQBCR-CYBMUJFWSA-N 361.423 2.773 0 50 FFAA COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N2CCC[C@H]2CO)cc1 426563455 NPQFMPJEHJZBRR-INIZCTEOSA-N 369.417 2.746 0 50 FFAA CCC1CCN(CCNC(=O)N2CCC(O)(c3ccccc3)CC2)CC1 426387194 BJOMKGVBDNDTGB-UHFFFAOYSA-N 359.514 2.802 0 50 FFAA CCCn1cc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c(C)n1 19226762 YJCZXHHFKUYEAW-SFHVURJKSA-N 362.543 2.732 0 50 FFAA O=C(CCc1nc(-c2ncccn2)no1)Nc1ccc2c(c1)C(=O)CCC2 177969705 MUJYLOALNSYYGP-UHFFFAOYSA-N 363.377 2.617 0 50 FFAA CN1C(=O)CCc2cc(-c3csc(CCN4CCCC4=O)n3)ccc21 178837644 LSAYDCWAJAGASC-UHFFFAOYSA-N 355.463 2.884 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 426495545 AQUVNVFFWNONLK-OAQYLSRUSA-N 367.497 2.868 0 50 FFAA COCCOc1ccccc1NC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 97756549 NWFHJWNFHJYSGI-SFHVURJKSA-N 371.437 2.663 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@H](c3ccc(F)cc3)N(C)C)CC2)n1 95359255 ZRSKMIDKHYTQAD-SFHVURJKSA-N 358.461 2.838 0 50 FFAA O=C(NC[C@H](O)CN1CCCCCC1)c1ccc(-c2ccc(F)cn2)cc1 426428266 JOPYNGBKFVEVIC-IBGZPJMESA-N 371.456 2.854 0 50 FFAA Cn1cc(Cl)c(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)n1 97272489 HZRWWPJGCCEUMX-OAHLLOKOSA-N 363.845 2.774 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 95529067 FEXKEUJXLMVVKH-CQSZACIVSA-N 361.417 2.697 0 50 FFAA O=C([C@H]1CCCO1)N1CCCN(Cc2c(Cl)ccc(O)c2Cl)CC1 97776292 NSOOYFKCLWDJRV-OAHLLOKOSA-N 373.280 2.912 0 50 FFAA CC(C)(CN[C@H]1CCCN(CC2CCCCC2)C1)CN1CCOCC1 22916487 CKMMINOZVAQDPB-FQEVSTJZSA-N 351.579 2.979 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1OC 95357728 IWGAVJOHECTMPJ-LJQANCHMSA-N 371.433 2.813 0 50 FFAA Cc1cc2[nH]c(CN3CCC[C@H](COc4ccccc4F)C3)cc(=O)n2n1 334159690 NBDAUNGMNZVLJT-HNNXBMFYSA-N 370.428 2.761 0 50 FFAA COC(=O)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)OC)cc2Cl)C1 95507877 GRNOINLTZVMQOV-JTQLQIEISA-N 354.790 2.544 0 50 FFAA COc1ccc(CCNC(=O)c2cnc(-c3ccncc3)nc2)cc1OC 95358312 ZBRPWESAZCDPQM-UHFFFAOYSA-N 364.405 2.528 0 50 FFAA CCOc1ccc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)cc1 91270242 PAEMSDBGRFJIHS-MRXNPFEDSA-N 374.481 2.763 0 50 FFAA Cn1cc([C@@H](NC(=O)Cc2c(F)ccc(Cl)c2F)[C@H]2C[C@H](O)C2)cn1 253378339 CICFVKFDLXVXGD-NSTVUXKKSA-N 369.799 2.523 0 50 FFAA O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN2C(=O)OC[C@@H]2C1 374576372 KZBHXEYWZHYFMO-HNNXBMFYSA-N 374.400 2.573 0 50 FFAA COc1ccc2nc(CCNc3ncc(C)c(-c4cnn(C)c4)n3)[nH]c2c1 67785040 AQFDZLXFCWQYJY-UHFFFAOYSA-N 363.425 2.725 0 50 FFAA O=C(c1cccc2ncsc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1940195769 LILUBDHCDWAXFA-QWHCGFSZSA-N 351.431 2.718 0 50 FFAA O=C(Nc1ccc2cccnc2c1)N1CCCO[C@H](CN2CCCC2)C1 299771965 XKXCQJPYNUQTAL-GOSISDBHSA-N 354.454 2.953 0 50 FFAA O=C(Nc1ccc2ncccc2c1)NC1CCN(C[C@@H]2CCCO2)CC1 299784238 WYYLBOZNTJDPFG-SFHVURJKSA-N 354.454 3.000 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1c(C)cnn1C1CCCC1 299794467 KASOWNKBSFWZBO-UHFFFAOYSA-N 360.462 2.721 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCC1)C2)c1ccccc1 299788256 RIGPIMJEVKYUAW-CYBMUJFWSA-N 369.446 2.763 0 50 FFAA CCOP(=O)(CCOCCOCCOCCSC(C)=O)OCC 575408812 MVCCQMOSYHIVOE-UHFFFAOYSA-N 372.420 2.582 0 50 FFAA COc1ccc(-c2cccc(C(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)c2)cc1 824689222 BQNOJDSMHTZYBU-RTBURBONSA-N 350.418 2.912 0 50 FFAA CSCc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)o1 952962083 ACIHXSWEAVBYCQ-SNVBAGLBSA-N 359.407 2.840 0 50 FFAA O=C(Nc1csc(-c2ccncc2)n1)[C@@H]1CC(=O)N(C2CCCC2)C1 185441095 LRYOPUCVIBXYEZ-CYBMUJFWSA-N 356.451 2.935 0 50 FFAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 279050836 RMLZNCHFOMKYPT-QILLFSRXSA-N 371.441 2.708 0 50 FFAA CC(=O)N1CC(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C1 170641447 BRRZKGYJXCWKFC-UHFFFAOYSA-N 368.220 2.917 0 50 FFAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1ccc(COc2ccccc2)cc1 1616093634 AAIYBXFASQAFCE-OALUTQOASA-N 350.418 2.816 0 50 FFAA CCOc1ccc(CN2CCCN(C(=O)[C@@H]3CCOC3)CC2)cc1Cl 1529158534 DXTPUTRHKBTISZ-MRXNPFEDSA-N 366.889 2.810 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)COc3ccc(F)cc3)C1)CC2 1704338738 YNCZPFLULONZSR-HXUWFJFHSA-N 355.413 2.810 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H](C)n1c(C)nc2ccccc21 1704309298 MZLGCCQYBIHVHP-OAHLLOKOSA-N 368.485 2.528 0 50 FFAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCc2ccccc21 1171022 QYDIWGSKJVKXPF-PKNBQFBNSA-N 373.430 2.935 0 50 FFAA O=C(O)[C@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)C[C@@H]1c1ccncc1 216980715 YUDCHQCYYURCPS-MSOLQXFVSA-N 354.454 2.838 0 50 FFAA CCc1c(C)sc(NC(=S)N2CCN(CC)CC2)c1C(=O)OC 5041346 HOAAKHGIIAYNNX-UHFFFAOYSA-N 355.529 2.740 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 12454157 YNIYEDSPWJKKCX-HXUWFJFHSA-N 368.525 2.793 0 50 FFAA CC(=O)NCCNCc1cn(-c2cccc(F)c2)nc1-c1ccc(C)o1 12707569 WKYVKQYBNHPMJW-UHFFFAOYSA-N 356.401 2.806 0 50 FFAA CC[C@H]1CN(C(=O)c2ccc(N(C)Cc3ccon3)nc2)CCN1C(C)C 12756447 YCFPIDNXKAILOF-SFHVURJKSA-N 371.485 2.651 0 50 FFAA CCN(c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1)S(C)(=O)=O 13678199 MSSPIGWBGMYXPR-UHFFFAOYSA-N 360.435 2.927 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC 13679163 ZDXJBWXXHSFGBX-UHFFFAOYSA-N 354.815 2.509 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1 15072211 WYCKFQGDWJBCKV-OAQYLSRUSA-N 365.481 2.695 0 50 FFAA COc1ccccc1Nc1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1 16648344 DPTDQPXPMOSDES-UHFFFAOYSA-N 370.434 2.852 0 50 FFAA CC[C@H](C)c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@@H]2CCOC2)C3)no1 19221487 LTGFIEWYZYFSPH-GXTWGEPZSA-N 370.453 2.875 0 50 FFAA COc1ccc(N2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cn1 1857680431 IPJOQGHQGOEELC-QGZVFWFLSA-N 351.450 2.859 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857722529 XKKNAKDARPMLMP-APWZRJJASA-N 372.446 2.500 0 50 FFAA CCn1nccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857735341 DJYBFDDEEGETMQ-PMACEKPBSA-N 368.481 2.581 0 50 FFAA C[C@@H](C(=O)N[C@H]1CCOc2c(Cl)cccc21)n1nnnc1C(C)(C)C 331750303 ARTZSPKJYLPAJT-GWCFXTLKSA-N 363.849 2.825 0 50 FFAA Cn1cnnc1C[C@]1(O)CCCN(c2ccnc3c(Cl)cccc23)C1 952887743 WJTBDEOLWKWLRV-GOSISDBHSA-N 357.845 2.591 0 50 FFAA CN(C)Cc1cc(-c2noc([C@H]3CCc4cnn(C)c4C3)n2)ccc1F 952963467 OPNMNKIHSWJPBN-ZDUSSCGKSA-N 355.417 2.943 0 50 FFAA COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)[C@H](C)Oc1ccc2ccccc2c1 1875295737 PCRNPNXEXPDXES-SGTLLEGYSA-N 365.389 2.587 0 50 FFAA O=C(N[C@@H]1CC[C@@H]2C[C@@]21C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320546 TWIQDTZHQPMTJX-NSODJVPESA-N 354.328 2.961 0 50 FFAA Cc1conc1C1CN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1 1875308991 LYDDRPFHSVEKKH-UHFFFAOYSA-N 362.389 2.870 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H]1CCCC2(CC2)C1 1875327159 SJEKFVYLHGFJAR-UONOGXRCSA-N 368.474 2.579 0 50 FFAA Cc1sc(Cl)nc1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)[C@H]2C[C@@H]2C)C1 1875406395 CSHJSWWFGXLIHG-QCMRWSPLSA-N 355.891 2.870 0 50 FFAA CC(=O)N1C[C@H](NCc2ccc3c(c2)ncn3C)CC[C@@H]1C(F)(F)F 886051569 FZRBCGHFRDYSJN-CZUORRHYSA-N 354.376 2.605 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(-n3nccc3C)cc2)C1 888077709 QOHWEXAYYXUPOL-IAGOWNOFSA-N 351.410 2.506 0 50 FFAA C[C@@H](NC(=O)c1nc(Br)cs1)c1cc2n(n1)CCCC2 898394828 KKTCJPLTFOHENG-MRVPVSSYSA-N 355.261 2.929 0 50 FFAA CCCc1sc(N2CCN(S(C)(=O)=O)CC2)nc1-c1ccccc1 1444041 MTLQGLBVEQKVOU-UHFFFAOYSA-N 365.524 2.844 0 50 FFAA CC1(C)[C@H](CN)CCN1C(=O)CSCC(=O)c1ccc(Cl)cc1 2325786338 CVIUQJYNPAUBDC-ZDUSSCGKSA-N 354.903 2.842 0 50 FFAA N[C@H](c1cn(Cc2ccn(-c3ccccc3Cl)n2)nn1)C1CCOCC1 2325798042 JBWMZGYGMIPTJC-SFHVURJKSA-N 372.860 2.592 0 50 FFAA O=S(=O)(Nc1ccccc1-n1ccnn1)c1ccc(F)cc1Cl 119757533 BABXXOWMEMUHCF-UHFFFAOYSA-N 352.778 2.861 0 50 FFAA COc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC 854872 JXVDBTMDDYDSRF-UHFFFAOYSA-N 351.406 2.973 0 50 FFAA CC(C)CCN1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O 1066502 ZLQBGNVYHPXHTH-UHFFFAOYSA-N 351.406 2.654 0 50 FFAA CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)s1 1119882 AGPOOIJQGKXKLF-UHFFFAOYSA-N 374.509 2.510 0 50 FFAA CC(C)c1nc(O)ccc1-c1nc(C2CCOCC2)nn1-c1ccnn1C 2356134237 FSLIKXAVOLJJMB-UHFFFAOYSA-N 368.441 2.786 0 50 FFAA COCc1nnc2n1[C@@H](C)CN(C(=O)c1ccccc1C(F)(F)F)C2 2356142850 KMKNLKPRYDHXJB-JTQLQIEISA-N 354.332 2.660 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc(CN3CCCC3)o2)C1=O 2356159629 KDKCSLKUIDSFQR-NRFANRHFSA-N 373.497 2.881 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cc(F)ccc2F)CC[C@H]1O 2356165906 KNDQKMXWRRQZSM-CRAIPNDOSA-N 355.381 2.679 0 50 FFAA CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCC 100765802 NENCKSIXQDQOIF-UHFFFAOYSA-N 355.438 2.841 0 50 FFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)C(=O)N1CCCC[C@H]1C 55270267 OTSFMOKXGSGDLB-CQSZACIVSA-N 358.417 2.718 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1CN1CCOCC1 55816546 IBMZVNSIHVHSIQ-UHFFFAOYSA-N 368.433 2.819 0 50 FFAA COCCCN1CCC(n2nccc2NC(=O)c2ccccc2OC)CC1 67692854 RLXCAIMWAVIBNS-UHFFFAOYSA-N 372.469 2.817 0 50 FFAA COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccc(F)c2)cn1 65397252 ZNFUWTZJQUVHTL-HNNXBMFYSA-N 352.369 2.948 0 50 FFAA c1ccc(-c2ncn(CCSc3cn[nH]n3)c2CCn2cccn2)cc1 65394071 VUHYNJFMKOHQNL-UHFFFAOYSA-N 365.466 2.900 0 50 FFAA CS(=O)(=O)C[C@H]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)C1 432974504 SJYQSZWUJBKLKJ-NSHDSACASA-N 364.389 2.690 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N(Cc1ncc[nH]1)c1cccc(F)c1 479371282 MCUBLHVOJAHXEG-KRWDZBQOSA-N 353.353 2.922 0 50 FFAA COc1ccc(Cl)cc1/C=C/C(=O)N(CCC(=O)O)C1CCOCC1 328594776 BKHFNUMCGABNBR-GORDUTHDSA-N 367.829 2.844 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cc(OC)c3c(c2)OCO3)cn1 328655427 YKGLFFCMZLOTES-KDOFPFPSSA-N 372.425 2.590 0 50 FFAA Fc1cccc(F)c1-c1nc(CN2CC[C@@H](CN3CCOCC3)C2)co1 154335775 ZBEKTRWJFRXDGT-AWEZNQCLSA-N 363.408 2.774 0 50 FFAA C[C@H](CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O)c1ccccc1 72454472 MIOGEHFGLJZKNI-OAHLLOKOSA-N 368.437 2.640 0 50 FFAA COc1nc(C)c(C(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)s1 72422945 GAAVEWXNIJHFBG-LBPRGKRZSA-N 361.467 2.820 0 50 FFAA c1cncc(N2CCN(Cc3ccccc3OCCn3ccnc3)CC2)c1 214962108 KUBQMSYINMSYRZ-UHFFFAOYSA-N 363.465 2.679 0 50 FFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2nonc12 13325121 KATQUPNNZLICSG-UHFFFAOYSA-N 371.828 2.637 0 50 FFAA CCOc1ncccc1NC(=O)C(=O)N1C[C@@H](c2cccs2)C[C@@H]1C 371763962 CTYJDWXYYODPFJ-STQMWFEESA-N 359.451 2.885 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CCCn3cccn3)C2)c1 77376823 HMEAZOGHELUTCL-QGZVFWFLSA-N 357.454 2.990 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 72468388 IIKMOGQNKGILHP-FQEVSTJZSA-N 374.525 2.717 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(O)c2)C[C@@H]1CCO 77383572 XSJAFCRLGAKAKK-FQEVSTJZSA-N 370.493 2.860 0 50 FFAA O=C(c1sccc1S(=O)(=O)N1CCCC1)N1C[C@H]2CC=CC[C@H]2C1 71757019 RLMRKSFPEGCJTD-OKILXGFUSA-N 366.508 2.571 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237733631 IZDYYGJHULGZFJ-AEFFLSMTSA-N 372.465 2.589 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCN3CCCCCC3=O)C2)c1 77438629 APYNXIDOKZTJHH-MRXNPFEDSA-N 374.481 2.812 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc(-c2cccnc2)n1 284574375 NLAWQTAHMSKEAK-SQGPQFPESA-N 354.454 2.603 0 50 FFAA Cc1nc(CCNC(=O)c2cccc(-c3cncn3C)c2)nc2c1CCC2 426669143 PXUGPSKBZUFGOD-UHFFFAOYSA-N 361.449 2.647 0 50 FFAA Cc1csc([C@H]2COCCN2Cc2cn(-c3ccccc3C)nn2)n1 289888840 WYZKGOQRQRFZPG-QGZVFWFLSA-N 355.467 2.914 0 50 FFAA C[C@]1(c2ccccc2F)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O 177260606 MSGIQDOSESEGBE-LJQANCHMSA-N 366.352 2.843 0 50 FFAA CNC(=O)c1cc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)ccc1OC 426501909 RXXWILMHYVLXHE-GOSISDBHSA-N 369.421 2.660 0 50 FFAA CN1CCCC[C@H]1CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426388048 VHDNMOGYEZOXPF-CLNPQZTCSA-N 370.541 2.901 0 50 FFAA CC(C)c1cc(NC(=O)NCc2nnc3n2CCC3)n(-c2ccccc2)n1 97480302 YHHXOCLXTBNCTN-UHFFFAOYSA-N 365.441 2.855 0 50 FFAA CC(C)(C)c1ccc(CN2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1 95358116 IFEIVXNZGNBWHU-NHCUHLMSSA-N 374.569 2.729 0 50 FFAA O=C(c1coc(CN2CCOCC2)c1)N1CC[C@H](c2ccccc2F)C1 95380150 ZGWZEUGYIKAVGR-HNNXBMFYSA-N 358.413 2.881 0 50 FFAA Cn1cc(CN(C(=O)c2cccc(-n3cnnc3)c2)C2CCCCC2)cn1 91950679 NXJDLYRQAOYZOY-UHFFFAOYSA-N 364.453 2.976 0 50 FFAA O[C@@H](COc1ccccc1CN1CCC1)CN1CCc2ccccc2C1 95499336 QPCNYJGKHSCYEO-OAQYLSRUSA-N 352.478 2.690 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95381225 LSGODCNHQSOEJW-DFQSSKMNSA-N 351.450 2.726 0 50 FFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(Oc2cccnc2)C1 238884209 PTLNZNKEPRZQKQ-UHFFFAOYSA-N 358.341 2.552 0 50 FFAA CC(C)c1nnc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 267615226 DNMHHASYDCCLDT-UHFFFAOYSA-N 355.441 2.624 0 50 FFAA Cc1nc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccc(F)cc4)C3)ccc2[nH]1 91461578 YPGTUGKGGRYBQS-JKSUJKDBSA-N 367.380 2.951 0 50 FFAA Fc1cc(Br)ccc1OCCN1CCC2(CC1)OCCO2 230551768 WQJNQDJQCIMYNH-UHFFFAOYSA-N 360.223 2.806 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95365493 RUQVJZNMWCJFHY-PWIZWCRZSA-N 367.424 2.629 0 50 FFAA CCOc1cccc([C@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c1 95383181 MWWQXMXSEGZUKG-HXUWFJFHSA-N 369.465 2.814 0 50 FFAA COc1ccc([C@@H](NC(=O)c2c(C)cccc2OC)[C@H]2C[C@@H](O)C2)cn1 244748799 OOOMTBJEEFXNGK-ZRGWGRIASA-N 356.422 2.649 0 50 FFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(N[C@H]3CC[C@H](O)CC3)nc2)C1 244595035 DNKIBHQFGBEMKW-WDSOQIARSA-N 374.529 2.505 0 50 FFAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 299752640 UVLJRFSFQWEFCQ-PDOICOKGSA-N 359.514 2.638 0 50 FFAA O=C(NCCC1(O)CCCC1)N1CCC([C@H](O)Cc2ccccc2)CC1 534580450 VQERPEKWQWLHMD-LJQANCHMSA-N 360.498 2.707 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)c(O)nc1C 534634012 KZHVRXMASALBIV-UHFFFAOYSA-N 369.421 2.643 0 50 FFAA CC(C)c1noc(C2CCN(CC(=O)NCc3ccccc3F)CC2)n1 65489995 HAHAQXZHJJJXQC-UHFFFAOYSA-N 360.433 2.828 0 50 FFAA CC(C)Cc1cc(C(=O)NCCCc2nc3ccccc3o2)nc(O)n1 299797082 ORDOSDOIABTWNI-UHFFFAOYSA-N 354.410 2.885 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCC2(Cn3ccnc3C)CC2)n1 299780560 KFWJHXJAEQBFMW-CQSZACIVSA-N 359.499 2.676 0 50 FFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc2nc(O)sc2c1 823086383 IDALXWAZQOIKIK-NSHDSACASA-N 356.469 2.582 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)c1C 828599279 GKWSFRXJFDRGPX-LJQANCHMSA-N 355.438 2.815 0 50 FFAA COc1ccc2occ([C@@H]3CC(=O)Oc4c3oc(C)cc4=O)c(=O)c2c1 824757809 KSPXVNMJOLWGGD-NSHDSACASA-N 354.314 2.504 0 50 FFAA biogenic CN(Cc1n[nH]c2c1CCC2)C(=O)NCCc1nc2ccccc2s1 584903779 FEFTWBCTIWCGEJ-UHFFFAOYSA-N 355.467 2.892 0 50 FFAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)c1 185136590 ATSGCMXPTWSMLF-NSHDSACASA-N 352.387 2.609 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 952981927 DVEAXIUCQOZEFL-CYBMUJFWSA-N 372.918 2.916 0 50 FFAA C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C 170602432 PEWFCLKPRGGUKZ-WBVHZDCISA-N 361.486 2.757 0 50 FFAA O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CCN(CC2CC2)CC1 188456676 XOMJXMAWIDDVDD-UHFFFAOYSA-N 350.875 2.959 0 50 FFAA COc1ccc(-n2c(CN3CCCNC(=O)[C@H]3C)nc3ccccc32)cc1 189336270 HYWPIFLJJKTALP-OAHLLOKOSA-N 364.449 2.745 0 50 FFAA CN(C(=O)[C@@H]1CCCc2c(O)cccc21)c1ccc(N2CCOCC2)nc1 191023013 NZALOLVTIVWKND-GOSISDBHSA-N 367.449 2.707 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 907304312 ROOCFGWSICDCKP-HNNXBMFYSA-N 370.371 2.640 0 50 FFAA COc1cc(C)c(Br)cc1S(=O)(=O)NCC(F)(F)F 330855248 SKSLEGOKNDOXKH-UHFFFAOYSA-N 362.167 2.607 0 50 FFAA Cn1cncc1C(=O)N1CCCN(c2nc(-c3ccccc3)cs2)CC1 1772819807 UJVXIPCELDYPOY-UHFFFAOYSA-N 367.478 2.896 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)n[nH]2)c1 11753549 ZBCCSZVTQHJYLX-ZDUSSCGKSA-N 359.426 2.685 0 50 FFAA O=C(NCC1CC1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11840960 UTVBQJYFKJMOJQ-AWEZNQCLSA-N 354.372 2.970 0 50 FFAA CNC(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 13630745 XDWXNECKNOLNPL-GOSISDBHSA-N 354.406 2.856 0 50 FFAA O=C(NCCCc1cccnc1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 15067120 SGEHBDPACCUSQB-SFHVURJKSA-N 369.440 2.708 0 50 FFAA O=C(c1cccs1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 15069005 CWVJRCBOQQAEBR-LJQANCHMSA-N 355.463 2.798 0 50 FFAA CCc1ccc(CCOc2ccc(C[C@@H]3SC(=N)NC3=O)cc2)nc1 16696671 ABGJULHDDNEULW-KRWDZBQOSA-N 355.463 2.974 0 50 FFAA in-vitro CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860648 MHEFZXPQAGQAPT-DZGCQCFKSA-N 372.918 2.797 0 50 FFAA O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2)CC1 19957873 UHIAMVPZHAVSRX-OAQYLSRUSA-N 352.478 2.737 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)sc1C 151420566 NJURRQSQAMBRBM-JKSUJKDBSA-N 363.527 2.847 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)c1ccc(N2CCCC2=O)cc1 1857670789 ZENYXWVJWQFZTH-UHFFFAOYSA-N 362.433 2.935 0 50 FFAA CN1CC2(C1)CN(C(=O)c1ccccc1-c1nc(-c3ccccc3)no1)C2 1857676442 SUQZPKAUYFUWGQ-UHFFFAOYSA-N 360.417 2.791 0 50 FFAA O=C(c1cccc(Cl)c1Cl)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857741537 XKDUKVYBYJGIJR-WBMJQRKESA-N 355.221 2.557 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)CO[C@@H]3CCC[C@@H](C)C3)CCO2)o1 328613773 UDAZUHYXRPQPGT-KFWWJZLASA-N 351.447 2.688 0 50 FFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCCO3)N1 34792487 PFHXTNFFMKIEPW-QFBILLFUSA-N 364.401 2.716 0 50 FFAA in-vitro Cc1ccc(/C=C/CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(N)=O)cc1 864928413 GRYIRZBDPDXYIR-LAQIPUCWSA-N 352.438 2.974 0 50 FFAA O=C1C[C@H](c2ccccn2)NC(=O)N1C[C@H]1CCCN1c1ccccc1 1875278741 AIOMYVQGDLARTB-SJLPKXTDSA-N 350.422 2.734 0 50 FFAA C[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 1875344868 PWOCLGKLMBGXOA-BBRMVZONSA-N 358.486 2.834 0 50 FFAA COc1c(F)cc(Cn2c(Cc3ccc(F)cc3)noc2=O)cc1F 1875327963 RKLDRTNDKYJRIG-UHFFFAOYSA-N 350.296 2.901 0 50 FFAA O=C(c1cnn(C2CCNCC2)c1)N1CCC[C@H](c2cccc(O)c2F)C1 1875304131 AUUQKSPFRZTNHU-AWEZNQCLSA-N 372.444 2.672 0 50 FFAA Cn1ccc(C(=O)N2CC[C@]3(CCCC[C@H]3NC(=O)[C@H]3CC3(C)C)C2)c1 1875407840 IWMWMDJDJTZBFN-CBGDNZLLSA-N 357.498 2.962 0 50 FFAA Cc1ncc(C)c(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@]4(C3)CC4(F)F)C2)n1 1875408123 PABJAPBWMXDWDW-WBOJAVRRSA-N 350.413 2.978 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1[nH]ccc1C1CC1 1875401672 OJKLBVOUTFVCGV-ZBFHGGJFSA-N 355.442 2.823 0 50 FFAA O=C(Nc1ccc(Oc2cccc(F)c2)nc1)N1CCN2CCOC[C@@H]2C1 1320238093 NJEKMSCOJLHGSZ-INIZCTEOSA-N 372.400 2.561 0 50 FFAA Cc1nccn1Cc1cccc(CNC(=O)[C@H]2C[C@H](C(F)(F)F)CO2)c1 2325813426 MSRKZVXHZSNVDC-JKSUJKDBSA-N 367.371 2.823 0 50 FFAA Cc1cc(C(=O)NCC[C@H](C)NC(=O)c2ccc3cccnc3c2)ccn1 2325871790 ZXBTZHZMAUOBTB-AWEZNQCLSA-N 362.433 2.877 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(O)cc(F)c3)C2)CC1 2325888062 XPCQKARCUKRVRS-OAHLLOKOSA-N 360.429 2.662 0 50 FFAA CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)c1 844441 BVFKJIBRLXBVSN-CYBMUJFWSA-N 358.316 2.819 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@H](OC(C)=O)c2ccccc2)nc1C 1170542 BQUSFFCEEQOPKS-CYBMUJFWSA-N 362.407 2.871 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)NC(=S)N1 1253510 HTVQAXZWSITRCH-KRWDZBQOSA-N 367.430 2.847 0 50 FFAA COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680525 ZOHYEJNQAYLTNR-UHFFFAOYSA-N 366.464 2.794 0 50 FFAA COC(=O)[C@@H](NC(=O)CCC(=O)Nc1cc(C)ccc1F)c1ccccc1 55255390 DNTUFQGTUJQXBG-IBGZPJMESA-N 372.396 2.883 0 50 FFAA CC(C)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO 104512915 LBGMSIIXUHNQBW-LJQANCHMSA-N 360.477 2.740 0 50 FFAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1cccc(-n2nnnc2C)c1 55211360 IXWWWHDQBLDYCB-LBPRGKRZSA-N 351.414 2.699 0 50 FFAA CCN1CCN(CCn2cc(CN3CCC4(CCCC4)C3)c(C)n2)CC1 65526490 WPAZSDSDBMIKKK-UHFFFAOYSA-N 359.562 2.595 0 50 FFAA CS(=O)(=O)NCCn1cnc(-c2ccccc2)c1CCc1ccccc1 65530913 SOFNNBKJSZQLTM-UHFFFAOYSA-N 369.490 2.885 0 50 FFAA Cn1cnnc1C1CCN(C(=O)NCC(C)(C)Cc2ccccc2)CC1 117411350 CBGUXDPADSBFNY-UHFFFAOYSA-N 355.486 2.973 0 50 FFAA CC(=O)c1cccc(-n2c(Cc3cccnc3)nnc2SCC(=O)O)c1 67847063 ZFBCNEJIHCYINF-UHFFFAOYSA-N 368.418 2.632 0 50 FFAA O=C(c1ccc([C@H]2CCCN2C(=O)c2ccoc2)s1)N1CCOCC1 20867350 KRAONXGFAWWQEQ-CQSZACIVSA-N 360.435 2.791 0 50 FFAA O=C(NCc1n[nH]c(=O)c2ccccc12)c1c[nH]nc1C1CCCCC1 67650683 IFBYKDNAZROBGD-UHFFFAOYSA-N 351.410 2.624 0 50 FFAA O=C(NCCc1ccccc1)C1CCN(C2CCN(CC3CC3)CC2)CC1 67446921 LMCRDGKUWMSQJV-UHFFFAOYSA-N 369.553 2.932 0 50 FFAA COc1ccc(N2CCN(c3ncnc4sccc34)[C@H](C)C2=O)cc1 32511595 JQLIAFVPIOWSGY-GFCCVEGCSA-N 354.435 2.942 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(CCn2c(=O)oc3ccccc32)C1 67850615 INDZUKAPYSSPNM-HNNXBMFYSA-N 351.406 2.584 0 50 FFAA O=C(CCC1CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1)NC1CC1 11936026 GOKRUDKGFIXMAI-UHFFFAOYSA-N 366.465 2.988 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 328651946 WEYWRIVAODNEDI-ZLGUVYLKSA-N 374.504 2.998 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 72475750 BLWATTCNVJCPNR-OAHLLOKOSA-N 359.470 2.939 0 50 FFAA C[C@H](C(=O)Nc1nccs1)N1CCC[C@H](c2ncc3n2CCCC3)C1 281914901 CKPNZWBPPCGBPJ-KGLIPLIRSA-N 359.499 2.883 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 72454564 CAZOGPBQUDBVAH-CQSZACIVSA-N 355.438 2.838 0 50 FFAA Cc1nc(=O)c(CC(=O)N[C@H](c2ccncc2)c2ccccc2C)c(C)[nH]1 215888102 BQVULIKTXLQTJX-HXUWFJFHSA-N 362.433 2.538 0 50 FFAA COc1ccc(F)c(F)c1CN1CCCn2nc(CCC(=O)O)cc2C1 72454713 IIXUGHBTWJQCSU-UHFFFAOYSA-N 365.380 2.593 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCSCc1ccc(F)cc1)C2 72410141 HVBQSJMUTLTXEC-GOEBONIOSA-N 350.459 2.528 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2ccc3nc(C)oc3c2)N2CCOCC2)o1 215980921 JYMSNOWUIWNERE-QGZVFWFLSA-N 369.421 2.841 0 50 FFAA CN(Cc1cnc2[nH]ccnc1-2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 365618218 GWUHTOMRLREPGV-CYBMUJFWSA-N 362.842 2.523 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@]2(CC1)CNC(=O)O2 72152080 TZSSRFLVRJAVBL-FQEVSTJZSA-N 366.421 2.557 0 50 FFAA COCCc1ncc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72408511 XHNQFZXHSWFVAM-UHFFFAOYSA-N 370.541 2.752 0 50 FFAA CC(C)[C@@H]1CN(C2CCN(C(=O)c3cccs3)CC2)C[C@H]1C(=O)O 219565283 ZRSJZAGXMXSBJN-LSDHHAIUSA-N 350.484 2.641 0 50 FFAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@@H]1CC1(C)C)C2 72123946 PQAFFKXOYLKMOY-HNNXBMFYSA-N 351.454 2.535 0 50 FFAA O=C(NCc1ccccc1CN1CCCC1=O)Nc1ccc2c(c1)OCO2 45032585 LTQNPRWKPKIEJF-UHFFFAOYSA-N 367.405 2.859 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(CCc2ccc3c(c2)CCO3)C1 284779505 HWFXBAXSHMPJEM-SJORKVTESA-N 354.454 2.622 0 50 FFAA CCc1nccn1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccn2)no1 82136780 ATIQUDKSGNQQID-HNNXBMFYSA-N 366.425 2.644 0 50 FFAA C[C@H](C(=O)O)c1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1 263366303 ZXPWSVXEWSPQSB-ZDUSSCGKSA-N 354.410 2.520 0 50 FFAA CCOC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@@H](C)CC(N)=O)cc2)cc1 426420282 WFNCTCRKBXXIHN-AWEZNQCLSA-N 368.433 2.866 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1onc2c1CCCC2 426497104 FOASKRSJMAHHSI-ZRGWGRIASA-N 368.433 2.730 0 50 FFAA Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)[nH]1 42484219 WIYSBSXPJFGCTQ-LJQANCHMSA-N 364.453 2.815 0 50 FFAA CNC(=O)Cc1ccc(-c2cccc(C(=O)NCC3(COC)CC3)c2)cc1 426701792 YXIRYCQXNPKQSL-UHFFFAOYSA-N 366.461 2.799 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)c1C 82091346 KXHKGHXAIZXLRF-LBPRGKRZSA-N 374.872 2.876 0 50 FFAA O=C(NCCOc1ccccc1F)N1CCC(CCn2cccn2)CC1 426421828 JVXLFCMKSDQQRP-UHFFFAOYSA-N 360.433 2.913 0 50 FFAA Cn1cccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95369080 GFIQCEPZLLBBPT-DFQSSKMNSA-N 353.441 2.867 0 50 FFAA Fc1ccc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)nc1 92065480 JPZNPUYIFDOXTA-UHFFFAOYSA-N 367.432 2.776 0 50 FFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCN(c2cccnc2)CC1 95361414 HMSVSYGFUIWRKL-LJQANCHMSA-N 350.466 2.511 0 50 FFAA CN(C)[C@H](C(=O)NCc1cnn(Cc2ccccc2)c1)c1cccc(F)c1 95375587 YIGRPWXEWMOHGS-FQEVSTJZSA-N 366.440 2.990 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(CC(C)C)no1)CC2 91876943 LKKASMGESPFULS-UHFFFAOYSA-N 371.485 2.606 0 50 FFAA O=C(COc1cccc(-c2nc([C@H]3CCOC3)no2)c1)N1CCCCC1 96161093 VLTMZSBOQFQJQW-HNNXBMFYSA-N 357.410 2.632 0 50 FFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 95519699 LARCPQDSCWYKHL-ZDUSSCGKSA-N 373.482 2.907 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3nnc4n3CCCCC4)[nH]n2)s1 91390944 JUKAXABUDHJWML-UHFFFAOYSA-N 356.455 2.695 0 50 FFAA CCSc1nnc(NC(=O)CN(C)CCc2scnc2C)s1 244724348 MSJJTGHDWJLRSX-UHFFFAOYSA-N 357.530 2.528 0 50 FFAA COc1ccc(-c2ccc(C(=O)N[C@@]3(CO)CCOC3)c(F)c2)c(F)c1 182858710 WITGVESORIOCRR-LJQANCHMSA-N 363.360 2.522 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3ncccc3c2)[C@H]2C[C@@H](O)C2)c1 252522965 BNNGVZDQFLUYNG-OXFYSEKESA-N 363.417 2.880 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(N2CCCC2=O)ccc1F 299748982 ITGQBULXBUWDHJ-DQYPLSBCSA-N 374.412 2.810 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)cs1 65375289 OLGQYNJAQNEKSU-HNNXBMFYSA-N 372.494 2.669 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659776286 JGQZQXCZZWVXED-FOIQADDNSA-N 353.374 2.652 0 50 FFAA Cc1c(NC(=O)CN2CCc3ccccc3C2)cccc1C(=O)N(C)C 828070129 HYDSEEQHFHBZSP-UHFFFAOYSA-N 351.450 2.694 0 50 FFAA CCCc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3CCCCN3CC)cc2)[nH]1 823008423 DQYDJZFNJPZKAF-IBGZPJMESA-N 370.497 2.722 0 50 FFAA O=C1C[C@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C2(CCCC2)O1 670473813 AXSBPUGBRJVKLW-MRXNPFEDSA-N 357.385 2.504 0 50 FFAA CCc1oc2ccccc2c1CN1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565514959 BWWUZYVGEUQAQF-IRXDYDNUSA-N 352.438 2.833 0 50 FFAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(-c2cccc(F)c2)cc1 1565516164 FESZLGNHFTYBCS-YRPNKDGESA-N 354.425 2.940 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccc(OCc2cccc(F)c2)c1 1565508029 WBGVQKQFXCBZNI-OALUTQOASA-N 359.397 2.938 0 50 FFAA CN1CCC(Nc2ccccc2NC(=O)c2ccc3nnn(C)c3c2)CC1 185757349 PYFVBFRKWUEENK-UHFFFAOYSA-N 364.453 2.727 0 50 FFAA CC(C)n1ncc2cc(CN[C@H]3CCCO[C@@H]3c3cnn(C)c3)cnc21 275721346 ZAGUKIWINVNVLX-ZWKOTPCHSA-N 354.458 2.756 0 50 FFAA O=C(NS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCCN1C1CCCC1 170609458 NXKKUYSWESKCNN-AWEZNQCLSA-N 374.865 2.691 0 50 FFAA CCC(CC)[C@@H](C(=O)Nc1ccc2nnc(C(C)C)n2c1)N1CCOCC1 189073982 ZVLSHTDLBWJRQW-SFHVURJKSA-N 373.501 2.928 0 50 FFAA CN1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1=O 191664059 NHTHHXLBLJWNNY-INIZCTEOSA-N 352.862 2.562 0 50 FFAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CCC([C@H](O)c2cccs2)CC1 1506404905 GLAWVSQQYCPKGD-INIZCTEOSA-N 369.446 2.570 0 50 FFAA CN(CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)C1CCCC1 1506396688 FCEGSQZQSNWMNU-UHFFFAOYSA-N 357.458 2.682 0 50 FFAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc2sc(N)nc12 1704299408 PIXAVICZPZDJMX-CABCVRRESA-N 368.462 2.569 0 50 FFAA CCc1cc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)ccc1OC 1704343121 SYVJKVJOLXNKHT-QZTJIDSGSA-N 353.484 2.573 0 50 FFAA COc1ccc(CN2CCCN(C(=O)CC3CC3)CC2)c(OC)c1OC 1775983297 VJVIZQPBIIYSJL-UHFFFAOYSA-N 362.470 2.547 0 50 FFAA O=C(c1ccc2ccccc2n1)N1CCCN(C[C@@H]2CCCOC2)CC1 1772710435 RCAAANCWTVBFJO-KRWDZBQOSA-N 353.466 2.809 0 50 FFAA Cc1ccoc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 11704417 JTTQPFOOHLSMJA-OAHLLOKOSA-N 370.453 2.658 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNC2C3CC4CC(C3)CC2C4)CC1 12387416 ZQDVQVRVJRCURU-UHFFFAOYSA-N 368.525 2.664 0 50 FFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](N1CCCC1)CC2 14539791 NSRBNFKGPHAJGE-KRWDZBQOSA-N 352.482 2.634 0 50 FFAA OCc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 19795027 YTCRVELGTVIFSH-LJQANCHMSA-N 373.472 2.698 0 50 FFAA Cc1ccsc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169764131 ATKPOFYLTCZMCP-UHFFFAOYSA-N 356.451 2.723 0 50 FFAA Cc1cccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@@H](C)CC4)c1 169776428 AYXKGVVRYTXUHU-AWEZNQCLSA-N 350.422 2.568 0 50 FFAA COc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1 6245219 WLDVPQFYWXOJCE-XNTDXEJSSA-N 353.378 2.513 0 50 FFAA O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 792014 SYAWOSPKSSATEY-UHFFFAOYSA-N 368.474 2.675 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3C[C@H](c4ccc(F)cc4)[C@@H](C(=O)O)C3)c2c1 216283629 IEVWALZQRVQHSS-CVEARBPZSA-N 367.380 2.951 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)cc1 219326450 GMTUKVUKMSMKHE-NQIIRXRSSA-N 364.493 2.884 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)n(C)n1 236682841 HYQUYMGXWYRYMZ-UHFFFAOYSA-N 355.438 2.802 0 50 FFAA COC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 363436064 IYLDBMHBTBHTEO-QMTHXVAHSA-N 359.253 2.749 0 50 FFAA C[C@@H](c1ccccn1)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 155811176 HQGCMLGYLHHUSV-INIZCTEOSA-N 361.449 2.991 0 50 FFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCCN(CC2CCCCC2)CC1 497037582 WRSQYHLXWRDMQV-LJQANCHMSA-N 363.546 2.748 0 50 FFAA COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)cc1OC 266919925 LNXNGIGWKQTZGN-ZIAGYGMSSA-N 358.442 2.634 0 50 FFAA O=C([C@@H]1CC[C@H]2C[C@H]2C1)N1CCC[C@@H]1Cn1cc(-c2cccnc2)nn1 1875338660 GMVBVSZJFPEONV-CIRFHOKZSA-N 351.454 2.767 0 50 FFAA CC(C)c1cc(N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875330342 OFLGGVFZIDVCPC-VXGBXAGGSA-N 373.423 2.559 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccccc1)C(=O)NN=C2C 884548 IVPHRRHYFGWPOT-MRXNPFEDSA-N 367.405 2.670 0 50 FFAA biogenic Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)N3CCc4ccccc4C3)cc12 6668556 ZPXDQWJUYKFDCJ-UHFFFAOYSA-N 368.458 2.892 0 50 FFAA Cc1ccc2cc(CN3CC(c4nc(O)c5cnn(C)c5n4)C3)ccc2n1 2325806042 OEIJEFXHCZMFRO-UHFFFAOYSA-N 360.421 2.525 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)[C@H](F)c3ccccc3)C2)n[nH]1 2325842594 BQNROLHKFMUTPY-RHSMWYFYSA-N 358.417 2.575 0 50 FFAA C[C@@H](C[C@@H](C)NC(=O)C1(C2CC2)CC1)NC(=O)Cc1cc(C2CC2)on1 2325868194 RUGOBBCWDBEVLU-QWHCGFSZSA-N 359.470 2.684 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(c3cccc(OC)c3)CC2)C1 2325888493 YDUQRSWFAYYXJP-SFHVURJKSA-N 356.466 2.826 0 50 FFAA CCOc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O 881280 UYRCZPGEMDVJBQ-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA O=C(c1ccc(O)nc1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356159369 XPFACXGJFRKBBJ-NRFANRHFSA-N 365.433 2.585 0 50 FFAA O=C(Nc1ccc(F)cc1)N[C@]1(C(F)(F)F)N=C2C=CC=CN2C1=O 2863639 JUNRSATYSKUUJK-CQSZACIVSA-N 354.263 2.530 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)c(O)c(Cl)c1 4828562 OHAAEMUJHIIOJH-UHFFFAOYSA-N 365.172 2.934 0 50 FFAA CN(C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 10285757 XTZDEUNGSBGVDK-UHFFFAOYSA-N 352.843 2.769 0 50 FFAA Cc1nn(C)c(C)c1NC1CCN(c2cccc(N3CCNC3=O)c2)CC1 23619378 UBIBULVYJDILLF-UHFFFAOYSA-N 368.485 2.647 0 50 FFAA OCc1ccccc1CN1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 63870759 PSHLYYASRAWMLS-RBBKRZOGSA-N 357.542 2.561 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc(=O)[nH]1 67947904 HDFBPVFPLMDLOG-VQTJNVASSA-N 362.429 2.827 0 50 FFAA CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2cn(CCO)nc2C)C1 65434001 XVKOGZKGHRIWOK-DYXWJJEUSA-N 371.481 2.541 0 50 FFAA C[C@H](C(=O)N[C@H]1CCC[C@@]1(C)CO)n1c(S)nnc1-c1cccs1 137139830 PDKFJIAPHQHNJD-XAGWURHQSA-N 366.512 2.524 0 50 FFAA COc1ccc(CCN2C[C@H](NCc3nc4ccccc4[nH]3)CC2=O)cc1 12306516 GTKKLYDITONXDX-MRXNPFEDSA-N 364.449 2.505 0 50 FFAA O=C(CCc1c[nH]cn1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280678618 DLSXCPLVYBVRTP-DOMZBBRYSA-N 353.344 2.696 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1 1299730 RIKLLPBLRCPXRV-GOSISDBHSA-N 359.451 2.956 0 50 FFAA biogenic,in-vitro COCCN1CCC(NC(=O)c2cncc(-c3cccc(C)c3)c2)CC1 123403383 GWEDZVSLWBFMMH-UHFFFAOYSA-N 353.466 2.898 0 50 FFAA O=C(c1ccc(CO)cc1)N1CCC[C@](Cc2ccc(F)cc2)(C(=O)O)C1 71551674 LMPBHEAOADELDR-OAQYLSRUSA-N 371.408 2.868 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)c3cn4ccsc4n3)C2)c1 72144276 KPGWRRQAHOCARQ-CYBMUJFWSA-N 355.419 2.799 0 50 FFAA O=C(O)COc1ccc(S(=O)(=O)N[C@@H]2CCCc3sccc32)cc1 324730765 JIZBVTLYCIVSOV-CQSZACIVSA-N 367.448 2.567 0 50 FFAA Cc1cc(C)nc(CCNC(=O)c2cccc(CC3CCNCC3)c2)n1 72158084 TULYBKZWFVWTMD-UHFFFAOYSA-N 352.482 2.608 0 50 FFAA CNC1CCN(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)CC1 328596105 SIBPWLUOSITWKY-CMDGGOBGSA-N 356.445 2.852 0 50 FFAA CCN1CC[C@@H](NC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 413849059 XFBREMIOQDMZEF-HXUWFJFHSA-N 352.482 2.930 0 50 FFAA CC/C(C)=C/CCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72420208 SPXIFPXLFHQJPN-ROTVFRRXSA-N 361.534 2.573 0 50 FFAA O=C1NCCN(Cc2cc(CN3CCCC3)cs2)[C@H]1Cc1ccccc1 215305555 ZRVMGLMZNICYNJ-FQEVSTJZSA-N 369.534 2.887 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2c(Cl)cnn2C)n1 216504099 VGKAOKNYORDCGI-MRVPVSSYSA-N 363.771 2.663 0 50 FFAA COCCc1noc([C@H]2CCCN(Cc3n[nH]c4cc(OC)ccc34)C2)n1 72148038 DTLKITWZAAUFJR-ZDUSSCGKSA-N 371.441 2.523 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@H](CO)C3)c(C)o2)cc2c1OCO2 72427043 HWBFHIZXZFHYGS-ZDUSSCGKSA-N 360.410 2.592 0 50 FFAA CCc1c[nH]nc1[C@@H]1CCCN(C(=O)CN2CCOc3ccccc3C2)C1 77470310 DYRWNJXPMCBUHY-GOSISDBHSA-N 368.481 2.573 0 50 FFAA COc1cccc(CN2CCC[C@H](NC(=O)c3cn4ccsc4n3)C2)c1 72447067 JHKKSEXLFAJAQW-HNNXBMFYSA-N 370.478 2.799 0 50 FFAA CCCc1nnsc1C(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)cc2)C1 77565296 XNRKQQRFEHSQFS-DOTOQJQBSA-N 372.494 2.543 0 50 FFAA Cn1cnc2cc(C(=O)NC3CCN(Cc4ccccc4F)CC3)cnc21 241644647 PSKOPXWDHZWKQW-UHFFFAOYSA-N 367.428 2.502 0 50 FFAA CCc1c(C)nc(C)nc1N1CCC(c2nnc(CN(C)C)n2CC)CC1 77321230 XWJKAXZJWFVRPV-UHFFFAOYSA-N 371.533 2.713 0 50 FFAA O=C(O)[C@@H]1CC12CCN(C(=O)CCc1cnn(-c3ccccc3)c1)CC2 262379309 CIPXSKHJRDWOHD-KRWDZBQOSA-N 353.422 2.518 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1C 77406701 MSZJGSJWKBRDQZ-CQSZACIVSA-N 361.877 2.550 0 50 FFAA Cn1ncc2c(N3CCC[C@@H](Cn4ccnc4)C3)nc(-c3ccncc3)nc21 72436373 QJQGKYALECHTBU-HNNXBMFYSA-N 374.452 2.538 0 50 FFAA Cn1c(-c2nccn2-c2cccc(NS(C)(=O)=O)c2)nc2ccccc21 72432463 GCOPTUBOZCYARA-UHFFFAOYSA-N 367.434 2.798 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)N1Cc2ccccc2[C@H](O)C1 82160706 XUIUCKXTSWEBKG-OAHLLOKOSA-N 353.378 2.728 0 50 FFAA CCCN1CCCn2nc(CNc3cc(CC)nc(N(C)C)n3)cc2C1 82146102 JRPIQUQBQPOOOZ-UHFFFAOYSA-N 357.506 2.529 0 50 FFAA O=C(c1onc2c1CCCC2)N1CCN([C@H]2CCc3ccccc3C2)CC1 426509348 ISFRQACLBKBUQM-SFHVURJKSA-N 365.477 2.869 0 50 FFAA COc1cc(C(=O)N2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)ccn1 426515758 RSOZNKAGQVJKQZ-ABSDTBQOSA-N 360.454 2.669 0 50 FFAA c1ccc(Cn2ccnc2[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 82109065 ONQAVUSZPZWYHC-INIZCTEOSA-N 359.437 2.982 0 50 FFAA O=C1CN(C(=O)CCO)[C@H](Cc2ccccc2)CN1c1cccc(Cl)c1 91768875 IJTVMXHQOWHUIK-GOSISDBHSA-N 372.852 2.509 0 50 FFAA CCCc1nc(C)cc(N2CCC(NC[C@@H](O)c3ccc(O)cc3)CC2)n1 95512129 SCLMIMBSVXPJMH-LJQANCHMSA-N 370.497 2.735 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cnc(-c3cccnc3)nc2O)c1 91616762 VNZDFZPCAOKODM-CQSZACIVSA-N 363.421 2.651 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2 91452565 PDVHYUAWCBUYRO-MAUKXSAKSA-N 363.465 2.936 0 50 FFAA CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1 91997778 UWFHNEZZVWYRPE-FUHWJXTLSA-N 355.438 2.754 0 50 FFAA Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)OCc3ccccc3)C2)no1 97609970 KIGJZBYJWFBJTC-MRXNPFEDSA-N 357.410 2.762 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)C[C@H]1N(C)C 95379724 VKIAZWYOAUZQQM-DOTOQJQBSA-N 361.873 2.840 0 50 FFAA Cn1cccc1-c1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)[nH]n1 91411708 DFZOXDFDPHBICT-UHFFFAOYSA-N 360.421 2.590 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CN(C)c2ccccc2O1 97288857 OJENPYXEGXMQJY-KRWDZBQOSA-N 354.435 2.547 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)CN2C(=O)CSc3ccccc32)n1 95503102 XXJSXABALGMGRT-CQSZACIVSA-N 372.450 2.571 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 91770426 KZJWTWFJRADVKS-QGZVFWFLSA-N 364.453 2.563 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1noc3c1CCCC3)CO2 91713747 QPORFSZCIITDJE-CQSZACIVSA-N 356.422 2.772 0 50 FFAA Cc1ccc([C@@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c(F)c1 95377788 OHNBHGTZQMEJHK-IBGZPJMESA-N 357.429 2.863 0 50 FFAA Cc1ncc(C(=O)N(Cc2ccncc2)C[C@@H](O)c2ccccc2)c(C)n1 97636664 HSIDDUFPWBLJCU-HXUWFJFHSA-N 362.433 2.864 0 50 FFAA O=C(NCCCn1cnnc1)Nc1cccc(NC(=O)C2CCCC2)c1 96151267 MJDXSHGXOYVZKG-UHFFFAOYSA-N 356.430 2.619 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cc(C(F)(F)F)[nH]n3)C[C@H]2N(C)C)cc1 95501810 WOSADLITTWKSEM-DZGCQCFKSA-N 366.387 2.907 0 50 FFAA Cc1cc(C(=O)NC2CCN(C3CCOCC3)CC2)cc2sc(N)nc12 244898871 ZDBRKYFHCGBTGM-UHFFFAOYSA-N 374.510 2.560 0 50 FFAA Cc1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c(F)cc1F 295199899 FEKYSOSWHRCNFH-AWEZNQCLSA-N 355.410 2.779 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1nc2ccccc2nc1O 253535030 FDXZLBFOXQCDDR-JRPNMDOOSA-N 355.419 2.639 0 50 FFAA Cn1ncc2cc(NC(=O)N[C@@H]3CCCN(Cc4cccnc4)C3)ccc21 299771408 ZIVNYGHORQLNFV-GOSISDBHSA-N 364.453 2.754 0 50 FFAA O=C1C[C@@H](C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C2(CCCC2)O1 299782269 VIUWWBWVDQMSFQ-INIZCTEOSA-N 363.417 2.862 0 50 FFAA O=C(NC[C@@H](O)CN1CCCCCC1)Nc1cccc(-c2cnco2)c1 299799700 YJLJPKJFYUPFNM-QGZVFWFLSA-N 358.442 2.700 0 50 FFAA OC[C@@H]1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1 828710930 PVQSZBMDBJJWHW-KRWDZBQOSA-N 351.922 2.745 0 50 FFAA O=C(NCc1nnc2n1CCC2)c1ccc(CSc2ccccn2)cc1 828157810 YBKVUJBOOOLAQK-UHFFFAOYSA-N 365.462 2.842 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)NCCN1CCCC[C@@H]1CO 670455881 WRDWXUWFSKTIOP-GOSISDBHSA-N 353.466 2.634 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Br)cc1Cl 131798567 BOFOGVQMXOPFOE-PSASIEDQSA-N 367.696 2.603 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)c(=O)n1C 952968276 PEAZRYRWNPDMMB-QGZVFWFLSA-N 356.422 2.894 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(-c2ccccc2)nn1C 952983075 ZPAHPOUOGQAJEK-UHFFFAOYSA-N 374.404 2.929 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3CCOC[C@@H]3OCc3cscn3)cc2o1 1565530600 MGPGAJDNTZKJEO-RDJZCZTQSA-N 373.434 2.697 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)c2C1 1466087380 RRCBEKWBGSBGKK-WBMJQRKESA-N 370.428 2.599 0 50 FFAA C[C@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408504822 ZEWLCTNGWLRXNT-QWRGUYRKSA-N 373.858 2.742 0 50 FFAA C[C@@H]1C[C@H](C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC(C)(C)C1 275625852 JHYMNDDNHBTFRR-OWCLPIDISA-N 359.518 2.554 0 50 FFAA CC1(C)Cc2cccc(CN[C@H]3CCCN(c4nccnc4O)C3)c2O1 275707259 YAMJPWIDKLVGHE-INIZCTEOSA-N 354.454 2.654 0 50 FFAA COc1ccc(CN2C(=O)N[C@@H](CCOC(C)C)C2=O)c(OC(F)F)c1 170614011 LSCVTOOSPKOAJC-ZDUSSCGKSA-N 372.368 2.532 0 50 FFAA O=C(/C=C/c1ccccc1Br)N[C@H](CO)Cc1ccncc1 170610153 ZAEHIRYWNORTRL-NFAHFFEMSA-N 361.239 2.577 0 50 FFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1 192372607 XSVPVFJDUWDWHT-ATWPWFFJSA-N 355.475 2.883 0 50 FFAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCOc3ccc(CO)cc3C2)cc1 1506423954 XUYKCOMSWQRZSV-HXUWFJFHSA-N 371.433 2.986 0 50 FFAA C[C@@H](c1cccs1)N(C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 1506405880 OGMGZWGVJHNXKG-LBPRGKRZSA-N 370.471 2.873 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(OC)c4ccccc4n3)CCN12 1529158727 JRVCSSTZZJHRPX-JKSUJKDBSA-N 369.465 2.569 0 50 FFAA CC(C)(C)[C@H]1CN(c2cc3nncn3c(N)n2)C[C@@H](c2ccccc2)O1 1529192539 XBRGHYBSGRTWTR-LSDHHAIUSA-N 352.442 2.699 0 50 FFAA O=C(c1cccnc1N[C@H]1COC[C@H]1Cc1ccncc1)N1CCCCC1 1704358602 PDYYACJXNDDXPP-MJGOQNOKSA-N 366.465 2.772 0 50 FFAA O=C(Nc1ccccc1F)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12195804 FOKGENUOVZUWDL-HNNXBMFYSA-N 359.376 2.930 0 50 FFAA CCCS(=O)(=O)N1CCC[C@](Cc2ccccc2C)(C(=O)OCC)C1 12208369 QPAASXSOGWNCOX-LJQANCHMSA-N 367.511 2.923 0 50 FFAA COCCN1CCC(CN(Cc2cccc(O)c2)C[C@H]2CCCO2)CC1 12702763 WIWDNEQYNXIYAV-OAQYLSRUSA-N 362.514 2.732 0 50 FFAA COc1ccccc1C(=O)Nc1nc2nc(-c3ccccc3)cc(O)n2n1 18220026 GKEJOTDIIHCMQA-UHFFFAOYSA-N 361.361 2.758 0 50 FFAA C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCN1c1ccc(F)cn1 1857670804 CLIQDLYZQUWDOM-ZDUSSCGKSA-N 363.820 2.990 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)C2CC=CC2)CC12CCN(Cc1ccccc1)CC2 1857681924 QHPYYKVQQZIVED-IBGZPJMESA-N 368.477 2.778 0 50 FFAA O=C(Nc1ccccc1CCc1ccccn1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857728295 VXVWHTBYZNIAMU-IOMROCGXSA-N 365.477 2.962 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)O1 369794991 QANTZXBBZVGASW-NVXWUHKLSA-N 354.454 2.559 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)no1 378612735 XMBNJULKKJYSAZ-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1C(=O)O 390413771 XBTBZDRFLBRROM-UHFFFAOYSA-N 351.346 2.656 0 50 FFAA CN(C)C(=O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302093 BNAUAGXQBXBBAV-OAQYLSRUSA-N 350.466 2.512 0 50 FFAA Cc1cc(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)cc(O)n1 911086924 ZCELEKNIJJGRGY-SFHVURJKSA-N 357.479 2.502 0 50 FFAA O=C(COc1ccc(CO)cc1)N1Cc2ccccc2N2CCC[C@@H]2C1 922588246 TUMZXLATIJXNGF-GOSISDBHSA-N 352.434 2.569 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N[C@@H](C2CC2)[C@H]2COCCO2)cc1 1875287689 UXAQTVYSDNKLBM-RTWAWAEBSA-N 366.461 2.736 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 1875371942 QZVFUVRVWPPGQQ-IUODEOHRSA-N 371.264 2.568 0 50 FFAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)COc2cc(C)ccc2C)C1 1875396057 UNHDCQMMPGFGOM-UQBPGWFLSA-N 364.511 2.935 0 50 FFAA C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](CN(C)C(=O)c2cc3ccccc3n2C)C1 1875344441 KVFDZJQRZIHKCE-ZOBUZTSGSA-N 353.466 2.755 0 50 FFAA CC(C)c1ccccc1-n1ccnc1SC[C@H]1CCS(=O)(=O)N1 1875354632 YWDZNKZKMFCBNE-CYBMUJFWSA-N 351.497 2.780 0 50 FFAA CCc1nc[nH]c1C(=O)N1C[C@H]2CCC[C@H]1[C@@H]2CNC(=O)C1(C)CCC1 1875406732 KZIXMNORHKTEPK-FMKPAKJESA-N 358.486 2.519 0 50 FFAA OC1(Cc2cn(CCOc3cccc4ccccc34)nn2)CCOCC1 881278328 UYAZANYTXYKULY-UHFFFAOYSA-N 353.422 2.594 0 50 FFAA CC(C)CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)C(F)(F)F 2325738606 CMBJWQFJPBHUHQ-UHFFFAOYSA-N 366.405 2.501 0 50 FFAA C[C@@H](NC(=O)c1cccnc1OCC(F)F)c1ccc(C(=O)O)cc1 2325870832 RBUMHTZULQNECV-SNVBAGLBSA-N 350.321 2.915 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1 784758 LSLCMNWJMJLMKT-GFCCVEGCSA-N 358.369 2.835 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(O)c(OC)c1)CC(=O)N2 1461157 YFYBVHBZSZFSAN-LLVKDONJSA-N 359.378 2.901 0 50 FFAA biogenic,in-vitro Cc1cc(=O)n([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cn1 1469973 MMZJOKITLIJYJC-CYBMUJFWSA-N 360.628 2.851 0 50 FFAA COc1cc(F)c(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cc1OC 2356151595 PJLLZJIVLFOWMF-GUTXKFCHSA-N 350.434 2.532 0 50 FFAA Cc1cc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2)N(CCO)C3=O)cc1C 4809574 SWYSMNYRFZEXGC-HXUWFJFHSA-N 363.417 2.937 0 50 FFAA COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Br)cc1C 225609276 ZWUSIUCQTAZBEJ-SNVBAGLBSA-N 368.149 2.981 0 50 FFAA O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2C[C@H](Cc3cccc(=O)n32)C1 101448925 XUQYIHPJSZHBKB-LWRBRJKYSA-N 367.493 2.946 0 50 FFAA Cc1cc(N2CCN(Cc3cnc(-c4ccccc4)s3)CC2)nc(N)n1 65384315 RIVGTHKGDXKOLJ-UHFFFAOYSA-N 366.494 2.813 0 50 FFAA COc1cccc2c1OCCCN(c1ccc(-c3nccn3C)nn1)C2 67789650 GFCHCAHENVAGMR-UHFFFAOYSA-N 351.410 2.675 0 50 FFAA O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccnc3)N3CCC[C@@]123 11933868 QRZYCNXJDHCBBZ-RRPUWOKSSA-N 359.473 2.987 0 50 FFAA Cc1cccc(-n2cc([C@@H]3CC(=O)NCc4nc5ccccn5c43)cn2)c1 65386428 RZANAQVPOOSDCE-KRWDZBQOSA-N 357.417 2.980 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C[C@H]2CCOC2)CCO3)n1 67739820 YIQMHKXPIXKLIU-OAHLLOKOSA-N 355.438 2.697 0 50 FFAA CC(C)c1cc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)n[nH]1 22926546 SZQZQQKFOXEEPX-IBGZPJMESA-N 360.477 2.741 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 72479838 OWRSDEFVUSAHKO-HNNXBMFYSA-N 372.444 2.675 0 50 FFAA O=C(C[C@H]1COCCN1Cc1ccc(Cl)c(F)c1)NC1CC=CC1 72470693 WZGZFIKXZVZYQO-HNNXBMFYSA-N 352.837 2.905 0 50 FFAA C[C@@H](c1ccncc1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 215094037 QPQRWXRAFQFMAG-IBGZPJMESA-N 368.525 2.901 0 50 FFAA CCc1cnccc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328617939 DGBYOCFTRQCAMD-QFBILLFUSA-N 355.486 2.533 0 50 FFAA CCCc1cncnc1N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 72163519 SOASUEJFDQREMJ-GOSISDBHSA-N 352.486 2.962 0 50 FFAA O=C([C@@H]1CCCN1C1CCOCC1)N1CCC(Cc2cccnc2)CC1 361101492 IUFYNVAMJVABCN-FQEVSTJZSA-N 357.498 2.506 0 50 FFAA CCc1nc(N2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)ncc1C 72476484 IBUMPQAEIOLMGF-HXUWFJFHSA-N 360.502 2.593 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3ccc(C)c(C)c3)ncn2)n1 72115961 DHXOFIZITWKAKO-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA O=C(NCCOc1ccc(Cl)cn1)C1CCN(CC(F)(F)F)CC1 154209035 SJDLXMWWWPLUEB-UHFFFAOYSA-N 365.783 2.504 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 72429550 CEJKBTYEDSKGBI-UHFFFAOYSA-N 373.884 2.807 0 50 FFAA CN(C)C(=O)c1cnc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c(Cl)c1 282323637 UIKPOBLLYAKPSR-LSDHHAIUSA-N 363.849 2.503 0 50 FFAA Cc1cc(O)cc(=O)n1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 282434457 HSFLFIHNGXQZNF-BCDXTJNWSA-N 352.434 2.800 0 50 FFAA Cc1cccc(OC2(C(=O)O)CCN(c3ncnc4[nH]ccc34)CC2)c1 72473983 RMOZQKHOPQAUNC-UHFFFAOYSA-N 352.394 2.769 0 50 FFAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)NCc1nnc2n1CCCC2 219854297 WAJNYGQLISGXBI-INIZCTEOSA-N 368.359 2.551 0 50 FFAA COc1ccc2c(c1)CN(C(=O)C1(NC(N)=O)CC1)[C@H](C1CCCCC1)C2 372838820 QJRQSMDXJXKZCM-SFHVURJKSA-N 371.481 2.730 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)CCn1nnc2ccccc21 72431592 OSIQTYMEWVKDEY-UHFFFAOYSA-N 362.393 2.530 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)N(C)c2ccccc2)CC1 77376998 NQGQODLIIAAGNX-UHFFFAOYSA-N 370.501 2.795 0 50 FFAA O=C(O)c1ccc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)nc1 77428920 YTZMASMNHQLVNC-HXUWFJFHSA-N 357.454 2.931 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC(CO)(CN2CCCC2)CC1 219709192 WKHCAKVIQGKHDT-GOSISDBHSA-N 374.525 2.764 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCC4CC4)CC3)CC2)n1 71681604 ZYAUHGLNRXCBDB-UHFFFAOYSA-N 370.541 2.593 0 50 FFAA Cn1cc(CCC(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c2ccccc21 262963839 JLLNLGJFWZWUAA-QGZVFWFLSA-N 368.355 2.977 0 50 FFAA COC[C@H]1CCCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 14951926 ZMGZDCDFOOVDBS-SFHVURJKSA-N 356.510 2.895 0 50 FFAA Cc1nc2ccc(CNC(=O)c3ccc(CSc4nnc[nH]4)o3)cc2[nH]1 219275782 MCZYFFOZAVRTNF-UHFFFAOYSA-N 368.422 2.805 0 50 FFAA CC(C)c1nnsc1Cn1ncc(N(C)CCc2ccccc2)cc1=O 72168428 JBBFLIDSCAENSH-UHFFFAOYSA-N 369.494 2.945 0 50 FFAA C[C@H](O)C(=O)OCCCSc1nnc(-c2ccc(OC(F)F)cc2)o1 241644610 PSECRBIPAGTKBR-VIFPVBQESA-N 374.365 2.744 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@@H](Cn1cccn1)c1ccccc1 221191798 PFIZFRVMLJHVKA-SFHVURJKSA-N 354.454 2.533 0 50 FFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 426548524 NDHGNLNKNKKLBU-OAHLLOKOSA-N 362.389 2.821 0 50 FFAA COc1ccccc1-c1n[nH]c2c1CN(C(=O)CCc1ccccn1)CC2 48356920 MIDCAOYSIJRDIA-UHFFFAOYSA-N 362.433 2.998 0 50 FFAA CCc1nccn1CCC(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 222840895 JXCAHWWSYWIPNV-UHFFFAOYSA-N 357.458 2.577 0 50 FFAA CNC(=O)c1cc(NC(=O)NC2CCN(Cc3ccco3)CC2)ccc1F 426705564 CPPLLDOVAKYDEB-UHFFFAOYSA-N 374.416 2.564 0 50 FFAA CCN(CC)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95371871 CETLWKNRNLPUTO-PWIZWCRZSA-N 371.481 2.739 0 50 FFAA COc1ccc2nc(CNC(=O)[C@H](c3cccc(F)c3)N(C)C)[nH]c2c1 95374272 KIBHLKUISZMGSP-SFHVURJKSA-N 356.401 2.630 0 50 FFAA CNC[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 178984108 IQCLAKQSPMRFIU-JTQLQIEISA-N 364.799 2.624 0 50 FFAA CCc1nc(CN(C)C(=O)Nc2ccnn2Cc2ccccc2OC)no1 96132943 RLNFNHNSPDPSDY-UHFFFAOYSA-N 370.413 2.549 0 50 FFAA O=C(CCc1cccs1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91894653 NLUXFOZZJMEOBX-DOTOQJQBSA-N 369.490 2.725 0 50 FFAA COCCC[C@@H]1CCCCN1C(=O)CCc1nc(-c2cccnc2)no1 91974314 CDPYFNRIQHBUQS-INIZCTEOSA-N 358.442 2.872 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1cc2ccc(OC)cc2n1C 97288837 LPSSRZHHZFIQPJ-UHFFFAOYSA-N 353.422 2.871 0 50 FFAA Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)C(=O)[C@H]1C)C(=O)CCC2 244866727 WBJLMKCXTCIHLR-CYBMUJFWSA-N 366.417 2.985 0 50 FFAA O=C(NCCCN1CCCC[C@H]1CO)C1(c2ccc(Cl)cc2)CC1 244764147 PCFKFYRFAQRSNM-KRWDZBQOSA-N 350.890 2.725 0 50 FFAA Cn1c(CS(=O)(=O)Cc2nc(C(C)(C)C)cs2)nnc1C1CCC1 181265776 MHDULLJDJPFUDN-UHFFFAOYSA-N 368.528 2.952 0 50 FFAA C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 182038663 OLYJGBJZERHTIX-ZDUSSCGKSA-N 357.435 2.645 0 50 FFAA O[C@H](CCc1ccccc1)CN1CCC(c2nnc3ccccn23)CC1 182380673 AAQSZHUPBBEBRW-LJQANCHMSA-N 350.466 2.902 0 50 FFAA CCCN1C[C@@H](NC(=O)c2ccc(-c3cnc(N)c(Cl)c3)cc2)CC1=O 534666279 GIKANZPWVWRVLT-HNNXBMFYSA-N 372.856 2.725 0 50 FFAA COC(=O)c1cn(CCCn2ccc3ccc(F)cc32)cc2c(=O)[nH]nc1-2 263588233 QQDGBZOOUOLYKN-UHFFFAOYSA-N 368.368 2.647 0 50 FFAA COc1ccc(NC(C)=O)c(NCc2cc(-c3cnn(C)c3C)no2)c1 185086839 CXUKTXSDRIHDPU-UHFFFAOYSA-N 355.398 2.963 0 50 FFAA Cc1cc(NC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)n(C2CCCCC2)n1 299783234 YXJLZSZAWODIJZ-SFHVURJKSA-N 361.446 2.755 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc(-c2cc(N)ncn2)c1 299795064 JRNJKSOSKIKPCJ-KRWDZBQOSA-N 364.453 2.767 0 50 FFAA NCCCOc1ccc(C(=O)NCc2ccc3[nH]cnc3c2)cc1Cl 299758975 MBSCRNYZKCFTRH-UHFFFAOYSA-N 358.829 2.874 0 50 FFAA Cn1nc2cccc(NC(=O)N3CCC[C@H](OCc4cccnc4)C3)c2n1 299784910 NCVVLMCCHCWNTP-HNNXBMFYSA-N 366.425 2.576 0 50 FFAA CCc1nccn1CCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 823557452 QQPDNTXXGQORNI-UHFFFAOYSA-N 373.844 2.898 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCCN(Cc2cccs2)C1 826589744 QVRVUAFTCUSUQB-MRXNPFEDSA-N 368.499 2.971 0 50 FFAA O=C(c1cccnc1)N1CCC(NCC[C@@H]2COc3ccccc3O2)CC1 952981658 VDTHPZJEAHJXGN-GOSISDBHSA-N 367.449 2.506 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)Cc2cnc3c(C)cccn23)CC1 952979165 MQJCDDFQQGLHHM-UHFFFAOYSA-N 363.465 2.628 0 50 FFAA CCCn1c(C)nc2cc(NC(=O)[C@@H]3CCC(=O)N(CCOC)C3)ccc21 952964144 BOSORKCFNPICAV-OAHLLOKOSA-N 372.469 2.578 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-c3cccc(F)c3)nc1)C2 75982669 LINJLHZAXCJUHS-WBVHZDCISA-N 353.397 2.581 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)CCO2)o1 275458038 TYVCHEKEGRKJLB-SJORKVTESA-N 371.437 2.911 0 50 FFAA COc1c(F)cc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1F 170611942 XGAZNQFSPFYERS-OAHLLOKOSA-N 368.424 2.577 0 50 FFAA O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1COCCN1C1CCCC1 188635547 FPHQLAWPFATXAX-CQSZACIVSA-N 373.375 2.605 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccn3)CCO2)c1 192426395 FTHRCAKHENWVRV-CYBMUJFWSA-N 369.347 2.538 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3cnc(C4CC4)nc3C)CC[C@@H]21 217101362 PTZSTWMWVSBTDB-WBVHZDCISA-N 356.470 2.526 0 50 FFAA COc1nccnc1N1CCCN(C(=O)c2ccc(Cl)cc2C)CC1 1772804333 MSXNWUNOXLEUQU-UHFFFAOYSA-N 360.845 2.800 0 50 FFAA COc1ccc(NC2=N[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1 5797461 KLIJHYHCDUBBIN-QGZVFWFLSA-N 366.421 2.607 0 50 FFAA CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 5857438 HKNITVNQDDYZDW-LJQANCHMSA-N 369.509 2.941 0 50 FFAA COc1cc(COC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC 13154704 JWZWSTLHLYUEGT-YQQAZPJKSA-N 367.486 2.853 0 50 FFAA Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccccn1 15068337 XXSOANFIVDWNGF-UHFFFAOYSA-N 357.414 2.572 0 50 FFAA COc1ccccc1/C=C1/SC(=O)N(CN2C[C@H](C)O[C@H](C)C2)C1=O 15856876 QVGULGUGGQZVHC-GTBQORPESA-N 362.451 2.798 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cc1 19795103 RQWYGXLNZNJQEY-IBGZPJMESA-N 353.418 2.947 0 50 FFAA N=c1[nH]c(CCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)cs1 1857673604 PHUPXYJGKCZLHM-UHFFFAOYSA-N 367.478 2.506 0 50 FFAA COc1ccnc(N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)n1 1857697879 PTXORRWZBVHVDI-DLBZAZTESA-N 355.438 2.737 0 50 FFAA CCOCCNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc2c(c1)OCO2 1857707499 AOUQCRPEKAESAH-LDQXTDLNSA-N 374.481 2.701 0 50 FFAA O=C1COc2ccc(-c3cc4c(s3)C3(CCNCC3)OCC4)cc2N1 1857720931 QQROIJVAVBYYSF-UHFFFAOYSA-N 356.447 2.897 0 50 FFAA CCn1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n1 1857722215 FOJNXKMKCCXECL-SOLBZPMBSA-N 374.872 2.501 0 50 FFAA COc1cc(F)ccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857737612 VGAHBDFPLMUDDO-PMACEKPBSA-N 372.440 2.978 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cc2)n[nH]1 408513824 SWSNDZJHLOZNPE-XHSDSOJGSA-N 354.410 2.638 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 219503817 AOCRBRFLCMODAZ-SJORKVTESA-N 367.401 2.593 0 50 FFAA O=C(CN1CCC(Cn2ccnn2)CC1)Nc1ccccc1C(F)(F)F 155774278 UNOZDRMAWOFVPF-UHFFFAOYSA-N 367.375 2.648 0 50 FFAA Cn1cc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cn1 369595458 PFAQEMHENNQFQW-UHFFFAOYSA-N 357.838 2.723 0 50 FFAA Cc1cnn(-c2ccc(S(=O)(=O)N[C@H]3CCOC(C)(C)C3)cc2F)c1 156262302 AZQWKOHLUFXULE-ZDUSSCGKSA-N 367.446 2.556 0 50 FFAA O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)[C@@H]1CCOC1 156213548 ZAMBZPZLRXLJMX-QGZVFWFLSA-N 350.418 2.793 0 50 FFAA C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)c4cncn4C)n3)cc21 1875259606 CUNUJEZTBWEAPV-VIFPVBQESA-N 353.407 2.852 0 50 FFAA CC(C)(C)OC(=O)N1CCN(Cc2cc(O)nc(O)n2)c2ccccc21 1875259943 CZLLCGGDAWJXOQ-UHFFFAOYSA-N 358.398 2.650 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)CC3CCN(OC)CC3)C2)c1 1875267807 FAXIHQMELXWPDT-MRXNPFEDSA-N 362.470 2.683 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(CCCn4ccnc4)CC3)n[nH]c21 1875293300 LBOKRAJPCOFYDA-CABCVRRESA-N 371.485 2.961 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1Cl)C1CCN(CC(F)F)CC1 1875339993 HDJINBGTDXIVMI-CQSZACIVSA-N 360.788 2.559 0 50 FFAA Cc1nc(C(=O)N(C)Cc2ccc(Cl)cc2)nc(N2CC[C@@H](N)C2)c1C 1875398424 PPRLFLWJYAYPOX-MRXNPFEDSA-N 373.888 2.556 0 50 FFAA O=C(N1CC(F)(c2cn(Cc3ccc(F)cc3)nn2)C1)C1(C2CC2)CC1 1875407759 HKCILAZNUKGTBQ-UHFFFAOYSA-N 358.392 2.663 0 50 FFAA O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc4c(c3)OCO4)c12 15109408 HJHFUSKQADKHPY-UHFFFAOYSA-N 350.378 2.704 0 50 FFAA CN(CCCCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325700435 LHGBUWWGYNJYOQ-UHFFFAOYSA-N 365.433 2.583 0 50 FFAA NCC12CCC(C(=O)N3Cc4ccccc4[C@@H](C(F)(F)F)C3)(CC1)CO2 2325778647 IDBQSCKWAQVOGF-ZLPCBKJTSA-N 368.399 2.963 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(C(=O)O)cc3)C[C@H]2C)c1 2325826326 YKMCPOLWCSAABH-CQSZACIVSA-N 354.406 2.744 0 50 FFAA O=C(Cn1c(-c2ccccc2)nc2ccccc21)NCCc1nncs1 2325839367 QVZOARBSBJSXJN-UHFFFAOYSA-N 363.446 2.914 0 50 FFAA Cn1c(=O)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(F)c3)cc21 2325872801 NLRHUOSWOJQCCW-UHFFFAOYSA-N 356.762 2.725 0 50 FFAA N[C@H]1CCCN(Cc2cn(Cc3ccc(-c4ccsc4)cc3)nn2)C1 887447159 UZDWMLQUUATPIJ-SFHVURJKSA-N 353.495 2.978 0 50 FFAA COc1ccc(N([C@@H](C)C(=O)Nc2cccc(C)c2)S(C)(=O)=O)cc1 647829 IRWLDDKCYQKFIM-AWEZNQCLSA-N 362.451 2.797 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1OC 893199 TZZFHXBYAWECQH-UHFFFAOYSA-N 374.481 2.959 0 50 FFAA CN1C(=O)C2(CCN(C(=O)c3ccc4ccn(C)c4n3)CC2)c2ccccc21 2356150122 MXSLHMDSOXKXKI-UHFFFAOYSA-N 374.444 2.724 0 50 FFAA COCCN1CCC[C@@]2(CCCN2CCOc2ccc(Cl)cc2)C1=O 2356155155 ZKPZUVSHDHLLOS-LJQANCHMSA-N 366.889 2.822 0 50 FFAA COc1ccc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 4512731 OFHDYDOUGBAQGH-ZDUSSCGKSA-N 353.378 2.829 0 50 FFAA COc1cccc(OC)c1C(=O)NCc1nc(-c2ccc(C)cc2)no1 4512987 KVQWDAOMIHVAQM-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccccc2)CC1 4748875 ITIGDTYIIBMCPD-KRWDZBQOSA-N 355.482 2.516 0 50 FFAA COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(C)on3)C2)cc1Cl 4806848 KWASYLOTUJUNQE-CQSZACIVSA-N 365.773 2.785 0 50 FFAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@H]1CCOc2ccccc21 225609664 MYPOKLGIEUGJHL-SJORKVTESA-N 358.482 2.655 0 50 FFAA O=C(CCCn1cncn1)NCc1ccccc1OCc1ccccc1 56931693 QWIPXJMFTYWXPL-UHFFFAOYSA-N 350.422 2.954 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2sc(NC)nc2C)c1C 55182567 ZZUHCWKCZNTFLR-UHFFFAOYSA-N 365.503 2.615 0 50 FFAA COc1ncc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)cn1 65395630 VKFWQZLRSRTRBI-FQEVSTJZSA-N 351.406 2.956 0 50 FFAA Cc1nc(-c2c(-c3ccccc3)ncn2CCCN2CCOCC2)c[nH]1 65526172 VPXQQBONRVJLCM-UHFFFAOYSA-N 351.454 2.971 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C(=O)NCC2CCCC2)c1 135664082 KUXOKCGVUAAWBV-UHFFFAOYSA-N 352.500 2.667 0 50 FFAA COc1ccnc(N(C)C(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 425614282 ZIEURRVEKAIIOY-VQIMIIECSA-N 353.422 2.663 0 50 FFAA CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccnc1OC(C)C 425636912 KTBAZIGMSVCOBD-GOSISDBHSA-N 367.449 2.572 0 50 FFAA Cc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72463228 RLNIKNHOEUDVDU-NRFANRHFSA-N 365.481 2.898 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)NC3CCCC3)C2)CN1Cc1ccccn1 77355024 XFAQPLIYVBGTLO-OAQYLSRUSA-N 370.497 2.938 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3ccc(Cl)s3)CC2)c1 72411068 UXZVDHNPPFKLOM-UHFFFAOYSA-N 353.831 2.623 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(CCOC)Cc3ccc(C)s3)cnc21 77355183 OEMFELSVDCLRFC-UHFFFAOYSA-N 373.482 2.692 0 50 FFAA CCn1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1=O 72425404 IKEVDZMJNDXGJK-UHFFFAOYSA-N 365.477 2.531 0 50 FFAA C[C@@H]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC12CCCCC2 480196339 DIYRUIROSSZARM-MRXNPFEDSA-N 357.502 2.552 0 50 FFAA CC(=O)Nc1ccc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 12744732 YOBAXNCKOLUSMP-IBGZPJMESA-N 355.413 2.675 0 50 FFAA O=C(CCc1cc2n(n1)CCNC2)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 72419967 CLDFAXLYQDHCQQ-JXFKEZNVSA-N 370.472 2.586 0 50 FFAA O=C(CCc1ccccc1F)N[C@@H]1CCOC[C@H]1OCc1cscn1 219724223 VRRRCTWYIMYSSJ-IAGOWNOFSA-N 364.442 2.705 0 50 FFAA COCCN(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72421598 KXAHSRRYLFSPGP-UHFFFAOYSA-N 360.889 2.882 0 50 FFAA Cn1cc([C@@H]2CN(C(=O)c3cccc(-c4ccoc4)c3)C[C@H]2CO)cn1 369340885 AXXFXOMCKKNQKE-OALUTQOASA-N 351.406 2.528 0 50 FFAA CN1CCc2n[nH]c(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2C1 72409922 NUIAEOBGEWUACR-HNNXBMFYSA-N 367.478 2.985 0 50 FFAA c1ccc(OCCN2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 72434431 LIYJPUZOSWIRNC-UHFFFAOYSA-N 352.438 2.866 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](OCc2cccnc2)C1 82136794 DOOGZTVOQYBPOB-GOSISDBHSA-N 369.465 2.934 0 50 FFAA COc1ccc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)nn1 175755838 XBZZKAMKRJMMPB-UHFFFAOYSA-N 354.435 2.890 0 50 FFAA COc1ccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c(OC)c1OC 426740306 ALOVMXWSYGWZSL-SFHVURJKSA-N 373.449 2.745 0 50 FFAA CC(C)(C)CN1CCC[C@]2(CCN(CCC(=O)Nc3cccnc3)C2)C1=O 426380139 RCTNJISSQNMQES-OAQYLSRUSA-N 372.513 2.771 0 50 FFAA CCCCN1CCC(CNC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 426475373 FUZBCKZXGLMAJY-SFHVURJKSA-N 359.518 2.878 0 50 FFAA Nc1nc(NCc2ccccc2OC(F)(F)F)cc(C2CC(N)C2)n1 223546734 OSBASGJDYWGTCT-UHFFFAOYSA-N 353.348 2.774 0 50 FFAA O=C(Nc1ccc(SCCc2ccccn2)cc1)N1CCOC[C@H](O)C1 95518584 YSGZOQDBPKTWHE-QGZVFWFLSA-N 373.478 2.641 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCc2ncc[nH]2)C1 91997931 HEWCQVUDHYOCPF-FQEVSTJZSA-N 355.438 2.942 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCCC[C@@H]1CCn1ccnc1 91643254 UBJXPOAYQCHQTC-GOSISDBHSA-N 368.481 2.805 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 95355639 YUARAUGWJXREHS-LJQANCHMSA-N 356.441 2.939 0 50 FFAA NC(=O)CCN(CCc1ccccc1)C(=O)c1ccc(-c2cc[nH]n2)cc1 95374791 JKAUUIZFUAVINK-UHFFFAOYSA-N 362.433 2.637 0 50 FFAA CNC[C@@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2OC)C1 178977457 NCTNJSRETJWXEV-UXONFWTHSA-N 353.260 2.539 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)nc1 96162191 ORVMFQFMLPEYMQ-GOSISDBHSA-N 366.461 2.841 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 95499737 TVEZCVNNYRQPFI-INIZCTEOSA-N 367.449 2.528 0 50 FFAA CSCCN1CCC(NC(=O)c2cccc([C@@H]3CCCNC3)c2)CC1 95369946 PZFYMDBAKYJORG-GOSISDBHSA-N 361.555 2.711 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N(C)C)cc1)C2 91694570 GNOIZMKUTSRRJK-PKOBYXMFSA-N 355.482 2.782 0 50 FFAA Cc1nc(CNC(=O)[C@@H]2CCOc3ccccc3C2)nc2c1CCCC2 95511211 UYWFVUNHQVZLSN-MRXNPFEDSA-N 351.450 2.921 0 50 FFAA Cc1nccn1CCC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91594411 SZYOJMAHYDIMEU-OAQYLSRUSA-N 372.513 2.755 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N(C)CCOc3ccccc3)c(=O)[nH]2)cc1 91270411 NFLGNKUHSCGDTI-UHFFFAOYSA-N 363.417 2.896 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)CCn2cccn2)C1)c1ccccc1Cl 95529349 MRQSOXAURZCISB-OAHLLOKOSA-N 374.872 2.595 0 50 FFAA CC(=O)NC[C@@H]1CCC2(CCN(c3nc(C)nc4ccsc34)CC2)O1 91551092 GZOARFUZIPTKRO-AWEZNQCLSA-N 360.483 2.654 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(CCOc1ccccc1)C2 91736660 WEDWFLKPWKKHCU-ZWKOTPCHSA-N 369.465 2.793 0 50 FFAA Nc1nc(CCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cs1 244724139 MOIPICRHCGXHGR-UHFFFAOYSA-N 364.902 2.656 0 50 FFAA CCn1c(C)nnc1CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 181285546 VXKDYHMRRRWGNG-MRXNPFEDSA-N 351.458 2.771 0 50 FFAA CN(CC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)Cc1ccccc1F 252527685 DDNKXYNBXVKPMR-SFHLNBCPSA-N 370.468 2.756 0 50 FFAA CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CC[C@H](O)C[C@]12O 257349808 RMEYJLMWLPURJQ-ZGSZLCPPSA-N 364.482 2.616 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N(C)C[C@H]3COc4ccccc4O3)c2n1 298704110 ILIBHALYGFVOHO-HNNXBMFYSA-N 366.421 2.567 0 50 FFAA CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1OCc1ccccn1 299763623 PMBJHZCJKJZLBG-SFHVURJKSA-N 368.437 2.649 0 50 FFAA Cc1nc2c(NC(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)cccn2n1 299763126 GTSDFHHCEZCAAL-CQSZACIVSA-N 364.409 2.560 0 50 FFAA Cc1ccccc1C(=O)N1CCC(C(=O)NCc2noc(C(C)C)n2)CC1 827758130 NHHRKMJCVXYKPP-UHFFFAOYSA-N 370.453 2.670 0 50 FFAA O=S(=O)(NCc1noc(C2CC2)n1)c1cc(Cl)c(Cl)s1 825631774 CSMMYURQBQBXDM-UHFFFAOYSA-N 354.240 2.794 0 50 FFAA C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cc2ncccn2n1 822410077 XDOSZVFDTVYGQE-CQSZACIVSA-N 363.421 2.996 0 50 FFAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccc(Cn2cccc2)cc1 670444271 DWIORROOTAMQDL-HXUWFJFHSA-N 355.482 2.503 0 50 FFAA Cc1cc(C)n2ncc(CNCc3csc(-c4cnccn4)n3)c2n1 952984667 YRMOZUHCRVKVCZ-UHFFFAOYSA-N 351.439 2.549 0 50 FFAA Cc1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1NC(=O)C(C)C 952982469 XKYQDDAMCUNLTE-UHFFFAOYSA-N 369.421 2.706 0 50 FFAA O=C(c1ccncc1F)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565514406 UDXCMTXPCGJPRP-QAPCUYQASA-N 365.452 2.925 0 50 FFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H](C)c1ncn(C)n1 170602362 CDUVPJMRWIIHKS-GFCCVEGCSA-N 372.860 2.691 0 50 FFAA COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C2CC2)N2CCCC2)cc1 170615862 SHONEQSPXYKUKV-WOJBJXKFSA-N 357.498 2.575 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1S(C)(=O)=O 170858397 SYUZALFZKLFQBX-QGZVFWFLSA-N 358.463 2.725 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(-n2ccnc2)n1 189630602 NHUJEYVRWHGPEI-OAHLLOKOSA-N 365.412 2.757 0 50 FFAA CC(=O)c1ccccc1OCCOC(=O)c1nnc(O)c2ccccc12 749290913 FTMHKOBOBNYPMW-UHFFFAOYSA-N 352.346 2.774 0 50 FFAA Cc1ccccc1Cc1nnn(C[C@H](O)COCc2ccccc2Cl)n1 193396356 ZNTQUQNZKZLBKL-KRWDZBQOSA-N 372.856 2.803 0 50 FFAA CC(C)c1noc2ncc(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)cc12 193543788 MXUMWXGOFRVGAI-CQSZACIVSA-N 366.425 2.535 0 50 FFAA COc1ccccc1N1CC[C@H](CNc2nc(C)nc3c2cnn3C)C1 194976925 OOHNJHNAZMCSDF-CQSZACIVSA-N 352.442 2.619 0 50 FFAA O=C(c1cncc(N2CCOc3ccc(Cl)cc3C2)n1)N1CCCC1 1506418561 RKBIDPVGJOQFEY-UHFFFAOYSA-N 358.829 2.765 0 50 FFAA CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 1186588 HBWZIZFCTFTXOA-UITAMQMPSA-N 361.160 2.663 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704300548 YQUVKBABSXYNKR-CRAIPNDOSA-N 354.454 2.528 0 50 FFAA CCCc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)no1 1704350940 RGFGNELVPNDOGG-FOIQADDNSA-N 365.433 2.851 0 50 FFAA COc1ccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(Cl)c1OC 1704325877 VTEZWQVEAHEXJQ-HZSPNIEDSA-N 352.862 2.704 0 50 FFAA CCCNC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12457592 QQPULQLHSWCVBT-IBGZPJMESA-N 365.424 2.899 0 50 FFAA CCOc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1O 19361756 ORYBRSCLAHAESY-UHFFFAOYSA-N 370.449 2.837 0 50 FFAA CN1CCCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857669957 GONJOWXXZRHLNF-LJQANCHMSA-N 352.482 2.878 0 50 FFAA CCCN1C[C@H](n2ccnc2-c2cc3cc(OC)ccc3[nH]c2=O)CC1=O 1857671044 MSFOYHDHLJIFFO-CQSZACIVSA-N 366.421 2.584 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)cc1Cl 409420830 XZNIDASHVBSUKF-MRXNPFEDSA-N 373.902 2.733 0 50 FFAA CN(Cc1ncnn1CC(F)F)C(=O)N[C@H]1CCCOc2ccccc21 225623096 ZPXGFKAKMAEEAP-ZDUSSCGKSA-N 365.384 2.599 0 50 FFAA O=C(Nc1cccnc1OCC(F)F)N1CC[C@H](Oc2cccnc2)C1 124054867 UOSDWHHJCIEZQD-ZDUSSCGKSA-N 364.352 2.806 0 50 FFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 237683748 MZIWHGWGQDFPKX-LQWHRVPQSA-N 355.526 2.814 0 50 FFAA Cc1oc(-c2cccs2)nc1CC(=O)N1CCC(N2CCCC2=O)CC1 264238845 JFEZDPKUBMBSOF-UHFFFAOYSA-N 373.478 2.867 0 50 FFAA Cc1c(CN2CC[C@@H](Cc3nc(C(=O)O)cs3)C2)cnn1CC(F)F 1875291112 NXCOUYRKYLGEKH-NSHDSACASA-N 370.425 2.676 0 50 FFAA CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@H](CNCC(=O)O)C1 1875264326 SJUKOBGLMZGOMR-HZPDHXFCSA-N 361.486 2.523 0 50 FFAA COc1ccc(OCC[S@](=O)Cc2nnc(Cc3ccccc3)o2)cc1 1875260335 ITCCLVDTBZPLHE-SANMLTNESA-N 372.446 2.997 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(OCc3ccccc3)CC2)CC1 1875370102 BONOXGRSYIQFOM-UHFFFAOYSA-N 356.466 2.619 0 50 FFAA N[C@H](Cc1n[nH]c2ccccc12)C(=O)NCc1ccc2c(c1F)CCCC2 1875301820 RGXGQSHIQCEWDS-QGZVFWFLSA-N 366.440 2.767 0 50 FFAA CN(CCNC(=O)c1nc(Br)n2ccccc12)c1ccccc1 1875334769 DOHOFOMWRIBEQN-UHFFFAOYSA-N 373.254 2.963 0 50 FFAA CCN(C(=O)c1occ2c1CCOC2)[C@H]1CCN(c2cc(C)nc(C)n2)C1 1875312564 OSYJWSIJKRVXJA-INIZCTEOSA-N 370.453 2.500 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)O)C2 1875305585 FWAWPFKNCBQJIW-GMXVVIOVSA-N 356.344 2.982 0 50 FFAA O=C(Nc1cc(CO)cc(CO)c1)c1ccc(-c2cccs2)nc1O 1875361991 KVIQDBSIXZMBBX-UHFFFAOYSA-N 356.403 2.753 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnn(-c3ccccc3)n2)C1 888102705 HOBGZDGLVOTGSW-MSOLQXFVSA-N 352.442 2.569 0 50 FFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccccc2Br)C1 379262865 IHXPKWXLNXHCGA-KWQFWETISA-N 351.166 2.943 0 50 FFAA CC(C)(C)c1ccnc2c(C(=O)N[C@@H]3CCc4cc(CN)ccc43)cnn12 2325778755 NQKMOGLNALQLNF-QGZVFWFLSA-N 363.465 2.903 0 50 FFAA CN1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C(=O)O)c2ccccc21 2325788457 HJWPLGHJPPXBGM-SCTDSRPQSA-N 350.418 2.519 0 50 FFAA CCn1c(=O)n(CCC(=O)N=c2cc[nH]c3ccsc23)c2ccccc21 2325879317 QMAOQHLAWISHKF-UHFFFAOYSA-N 366.446 2.883 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Cl)NC(=O)N1 759150 JSJIRDHFNYDGJF-ABAIWWIYSA-N 350.802 2.690 0 50 FFAA O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1057405 MMBHLMFJROZIDS-AWEZNQCLSA-N 362.426 2.865 0 50 FFAA CC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 1212293 JSTDOPWQUVHKDA-LLVKDONJSA-N 351.122 2.922 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)NNC(=S)NC2CCCC2)cc1 2853745 PUKRJUQRYOMBPY-UHFFFAOYSA-N 355.529 2.584 0 50 FFAA O=C(NCc1ccco1)C(=O)Nc1c(F)cc(F)cc1Br 4866390 XOOAILUEMGWXGJ-UHFFFAOYSA-N 359.126 2.575 0 50 FFAA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccn3)cc2)CC1 6702079 BSGRVGOKKSQGNL-UHFFFAOYSA-N 352.438 2.639 0 50 FFAA CCc1nccn1CCn1c(=O)n(C(CC)CC)c2ncc(C(=O)O)cc21 55414027 WFFJKGLPHGXRDH-UHFFFAOYSA-N 371.441 2.716 0 50 FFAA O[C@H]1CN(Cc2ccccc2)CCN(Cc2c[nH]c(CC3CCCC3)n2)C1 108269843 BPZWFYKBJMHAJH-NRFANRHFSA-N 368.525 2.821 0 50 FFAA C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(C)(C)O)CC1 171155237 XQFJVACUSSSAOL-GFCCVEGCSA-N 374.312 2.709 0 50 FFAA O=C(O)CCC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1cnc2ccccc2n1 225504417 LRLORWYUUNUHQA-QGZVFWFLSA-N 363.377 2.500 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1 55072119 SDUYOJVMBUNIDP-QPJJXVBHSA-N 350.418 2.887 0 50 FFAA biogenic O=C(c1cscn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55195987 DFMZEQSCAISEKN-KRWDZBQOSA-N 374.485 2.709 0 50 FFAA C[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1ccccc1-n1cccn1 55132578 NXQQSXOKZVCOHD-OAHLLOKOSA-N 354.454 2.889 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCC(F)(F)F 20450369 DIIMVXFKWXSDHW-UHFFFAOYSA-N 363.468 2.984 0 50 FFAA Cn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 114575885 BOQCDPZEHJDEAE-CQSZACIVSA-N 367.375 2.835 0 50 FFAA C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)[C@H]1OCCc2sccc21 421573719 JMHOLHKTHXJNPU-CWTRNNRKSA-N 355.463 2.996 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccccn3)cnn2c1 67850325 HOAKFTJNOTZPQF-HNNXBMFYSA-N 366.469 2.799 0 50 FFAA O=c1ccc(=O)n(CCn2cnc(-c3ccccc3)c2-c2cccs2)[nH]1 65393622 MFCUWRDVSHOGDK-UHFFFAOYSA-N 364.430 2.829 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NCc2cncn2C2CC2)no1 67805104 OWJXSLNCRRKRPM-UHFFFAOYSA-N 365.437 2.768 0 50 FFAA O=C(O)c1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 65469864 WELPHCMTGGZFAM-UONOGXRCSA-N 361.419 2.525 0 50 FFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H](C)N2CCCC2=O)s1 215230662 OAFFIQYUOGQTLJ-HNNXBMFYSA-N 357.479 2.991 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCO[C@@H](c2ccc(F)cc2)C1 72144386 QBYMWDUJQSUJLZ-GOSISDBHSA-N 352.369 2.620 0 50 FFAA Cn1c(CN(Cc2cncnc2)[C@@H]2CCCNCC2)nc2ccccc21 435396298 XTQLDAKMGZFRND-QGZVFWFLSA-N 350.470 2.508 0 50 FFAA Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1(c2nn[nH]n2)CC1 477043141 LNGNLHBBXNUKMJ-UHFFFAOYSA-N 360.830 2.704 0 50 FFAA Cc1cc(C)c(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)cc1C 219474019 HCSYSKPEZCLZSO-OAQYLSRUSA-N 365.481 2.639 0 50 FFAA CCc1nnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)s1 72481562 IZCRQZBZPRFHLN-LJQANCHMSA-N 371.510 2.905 0 50 FFAA Cc1cccc(NC2CCN(C(=O)Cn3c(C)c(C)sc3=O)CC2)c1 151850852 HYZXXKUTCBTJCM-UHFFFAOYSA-N 359.495 2.938 0 50 FFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC)c2OC)N1 35623187 CTXHTRWRNKBGGX-SJLPKXTDSA-N 366.417 2.962 0 50 FFAA biogenic,in-vitro O=C(c1cc2ccccc2nc1O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 364414009 FQZINEJPJPDWMV-NRFANRHFSA-N 359.385 2.676 0 50 FFAA O=C(N1CCC[C@H](c2nnc3n2CCC3)C1)C1(c2cccnc2)CCCC1 486322588 VKFNTCGNSXWWBQ-INIZCTEOSA-N 365.481 2.837 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(S(=O)(=O)CC(C)(C)C)CC1 281872260 WKAKOVOCTWIDRK-UHFFFAOYSA-N 352.500 2.565 0 50 FFAA O=C(c1ccc[nH]1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71750096 AZMBRNCIXOOHLO-GDIGMMSISA-N 357.404 2.995 0 50 FFAA CCOc1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 371015956 DEORUXACZMNERL-QGZVFWFLSA-N 354.454 2.511 0 50 FFAA COc1c(CNCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)c(C)nn1C 237204105 MZCFWHDMTSEPSZ-IYBDPMFKSA-N 372.513 2.636 0 50 FFAA CCCc1cc(C(=O)NCc2cc(-c3ccc(OC)cc3)no2)n(C)n1 77385633 LGCXECXZSULLPO-UHFFFAOYSA-N 354.410 2.966 0 50 FFAA COc1ccc2c(c1)OCCN([C@H](C)c1nnnn1-c1ccccc1)C2 374858223 SZSFFCWDDIKLCK-CQSZACIVSA-N 351.410 2.627 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCn2ccnc2-c2cccnc2)cc1 72433445 NJMYLHMTVJMNRE-UHFFFAOYSA-N 356.451 2.622 0 50 FFAA CN(C(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C1(C(N)=O)CCCC1 378497844 RTLKDFWUEDOUHR-MRXNPFEDSA-N 372.513 2.750 0 50 FFAA COc1c(F)cc(CN2CCC(N3CCC(O)CC3)CC2)cc1Cl 72410367 XUTABIJHBLLNNY-UHFFFAOYSA-N 356.869 2.909 0 50 FFAA CN1CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)cc21 173956090 YIDREJVJNJIGQF-HNNXBMFYSA-N 359.470 2.881 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2c[nH]c3nccc-3c2)c1 426382977 BMWRIFLOEWEECY-CYBMUJFWSA-N 350.422 2.778 0 50 FFAA Cn1cc(N2CCC[C@H](NC(=O)NCC(C)(C)c3ccccc3F)C2)cn1 176173557 NVWAQYZHHXCQOJ-HNNXBMFYSA-N 373.476 2.805 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc2nc(O)oc2c1 426612621 SGDCWDVSVCHAPQ-UHFFFAOYSA-N 374.441 2.690 0 50 FFAA CSCc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)c3cccnc3)C2)o1 82098017 IYPKNPOUUWBPDN-OAHLLOKOSA-N 373.478 2.962 0 50 FFAA O=C(CCc1ncc[nH]1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 288392495 MFXYVRLLLMQWJC-MOPGFXCFSA-N 352.482 2.855 0 50 FFAA COCc1cc(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)[nH]n1 426475591 XKKMVXYXDNQOBF-UHFFFAOYSA-N 369.425 2.787 0 50 FFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4ccc(N(C)C)nc4)cc3)C[C@H]12 426398999 IWOAAPMEUGEHDH-OWZKRDHZSA-N 364.493 2.694 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)N[C@@H](Cn3ccnc3)c3ccccc3)C2)n1 426487441 PUJKIUSXROJHKE-IBGZPJMESA-N 364.453 2.704 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCc1csc(N)n1 95383255 YDECEXANYBFQNQ-AWEZNQCLSA-N 357.483 2.947 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)cc1)CC2 92022574 VFHXFMXRPGPXGA-UHFFFAOYSA-N 359.470 2.878 0 50 FFAA O=C1CCC2(CCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)CC2)N1 426518894 BWBASWGHRMCQCY-WMZOPIPTSA-N 373.472 2.991 0 50 FFAA COc1ccc(CN2CCC3(CC2)CC(=O)N(CC(C)C)C3)cc1C(=O)O 91625065 PXIXXMOYXJIZEP-UHFFFAOYSA-N 374.481 2.864 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@H](c3ccc(F)cc3)N(C)C)C2)c1 95372031 SJJJHOLLJYMEGG-IBGZPJMESA-N 358.413 2.727 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)N(C)C)cc1 95370470 CTRISZIWSIWAKN-IBGZPJMESA-N 353.466 2.503 0 50 FFAA Cc1cc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)nc(N2CCCC2)n1 293268942 CFOLRTFFYWDKBV-QGZVFWFLSA-N 355.490 2.915 0 50 FFAA O=C(NCCNC(=O)c1ccccc1-c1ncc[nH]1)c1ccccc1Cl 97602473 VIEHVNXTAJXTRX-UHFFFAOYSA-N 368.824 2.890 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 96131103 JFCHXZFSWUICCF-UHFFFAOYSA-N 360.373 2.850 0 50 FFAA c1ccc(-c2nc3c(c(N4CCN(Cc5ncc[nH]5)CC4)n2)CCC3)cc1 23340229 NKUAELQPMAPUCC-UHFFFAOYSA-N 360.465 2.678 0 50 FFAA CC(C)c1ccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)cc1 91445281 CEGPUTVZYRFHRN-QFBILLFUSA-N 372.513 2.826 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)c2cc(C)c(C)n(C)c2=O)CC1 91746100 KWZQNCHTRBYVFD-UHFFFAOYSA-N 353.466 2.663 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(C)s3)n[nH]1)C2 97785084 DNWUNZUPAMWMPQ-UONOGXRCSA-N 372.494 2.920 0 50 FFAA O=C(CCN1CCN(C2CCCC2)C(=O)C1)Nc1ccc(F)c(Cl)c1 244795160 RARHGMJDWDURND-UHFFFAOYSA-N 367.852 2.895 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)CCS(=O)(=O)c1ccccc1 240824920 QMBXXSMLRJLDJT-CQSZACIVSA-N 364.492 2.809 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 181725648 DKJJDYUHZIXODF-SWLSCSKDSA-N 371.403 2.947 0 50 FFAA COCc1nc(NCc2nncn2C2CCCCC2)cc([C@H]2C[C@H](N)C2)n1 253378527 PWPUMYQPBUOLNF-HDJSIYSDSA-N 371.489 2.537 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(CSc3nnc[nH]3)o2)no1 252500790 TVKQAHLWBWBXTL-ZDUSSCGKSA-N 359.411 2.964 0 50 FFAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 261805327 WDRUIFDLBXYNPT-HNNXBMFYSA-N 354.385 2.606 0 50 FFAA COC(=O)c1c(NC(=O)c2cccnc2)c2cc(N)cnc2n1CC(C)C 299768087 IQZNCYIUKJRDKO-UHFFFAOYSA-N 367.409 2.708 0 50 FFAA Cc1ccccc1N1CC[C@@H](CNC(=O)Nc2cccc3[nH]nnc23)C1 299783761 WVMXHBRZNTZPHR-AWEZNQCLSA-N 350.426 2.914 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN(C2CCCC2)C(=O)C1 299768287 LRNXFRMKVUMGQB-UHFFFAOYSA-N 354.372 2.861 0 50 FFAA O=C1C[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C2(CCCC2)O1 828244587 VXMVWNSRISYPEL-OAHLLOKOSA-N 360.429 2.787 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CCC(N3CCOCC3)CC2)cc1C 584901179 DYVGKNFZFQHLGI-MRXNPFEDSA-N 361.486 2.571 0 50 FFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@H](c1cccnc1)N1CCOCC1 827654436 JDSPRNQNCMQVGI-SFHVURJKSA-N 374.872 2.813 0 50 FFAA Cc1nc2ccc(CNC(=O)N3CCC(N4CCSCC4)CC3)cc2[nH]1 584896303 VZPWRHGBIKGLBR-UHFFFAOYSA-N 373.526 2.594 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2ccc(Cl)c(C)n2)cc1 584899319 CKQXSWLLKATDCR-UHFFFAOYSA-N 366.870 2.875 0 50 FFAA c1ccc(-c2n/c(=N/CCN3CCOCC3)sn2-c2ccccc2)cc1 144999288 DUDNZBPCJBAIFT-MRCUWXFGSA-N 366.490 2.834 0 50 FFAA COc1ccc(NC(=O)Cc2cnc3c(C)cccn23)cc1C(=O)N(C)C 952979830 UTRFPFORGBSVSD-UHFFFAOYSA-N 366.421 2.534 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)NCc2cccs2)n1 952992241 YXXOOWSIYIOPNE-ZDUSSCGKSA-N 350.444 2.757 0 50 FFAA Cc1c(C(=O)N2CC[S@](=O)C[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 277738751 XXSKYOIPTPYCHL-MCFWBGNESA-N 365.886 2.675 0 50 FFAA Cc1cc(Br)ccc1NC(=O)COc1ccc(C)[n+]([O-])c1 170597230 ZYFLMLIBNSQYQE-UHFFFAOYSA-N 351.200 2.717 0 50 FFAA COc1ccc(F)c(C(=O)NCc2ccc(F)c(CN(C)C)c2)c1OC 170606402 BXGVBPDQORVMNA-UHFFFAOYSA-N 364.392 2.974 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(Cl)ccc1O 170610114 QDZFGKJJHLABOJ-CQSZACIVSA-N 372.812 2.608 0 50 FFAA O=C(O)c1cccc(CNC[C@@H]2CCCN(CCc3ccccc3)C2)n1 1506415256 AJNNQHCDOQVLIY-SFHVURJKSA-N 353.466 2.824 0 50 FFAA Cn1nccc1CCC(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 1506400766 OYOSFOUCBMKHRB-SFHVURJKSA-N 353.466 2.793 0 50 FFAA CN(C)c1ccc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 1529167686 PWQFMTFFRWPRIA-WIYYLYMNSA-N 362.477 2.731 0 50 FFAA COc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c2ccccc2n1 1704353918 OPBNGNNKOVKIIH-QLFBSQMISA-N 367.449 2.572 0 50 FFAA Cc1ncc(CN(CCO)C(=O)C[C@@H](c2ccccc2)c2ccco2)[nH]1 1704316093 VLVYWHHTQCFJFM-SFHVURJKSA-N 353.422 2.854 0 50 FFAA Cc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C)nc2)cn1 5028094 JADYUTWITRZKQQ-UHFFFAOYSA-N 354.454 2.814 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1=O 12459756 GWVUFHPXIPHBEC-SFHVURJKSA-N 368.836 2.580 0 50 FFAA CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)c2ccoc2)CC1=O 14741538 LCAKVZHDUBRYAC-LJQANCHMSA-N 370.449 2.805 0 50 FFAA COc1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c1C 1857713023 SGRZZQQBXGLXMX-LVCYWYKZSA-N 366.461 2.948 0 50 FFAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@]2(c3cccs3)CC2(C)C)n1 1857727268 OLKCFEDTCNGNBA-LJQANCHMSA-N 367.478 2.776 0 50 FFAA O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCC[C@@H]1c1ccccc1 130857586 FKKNMCVIDZEARK-GOSISDBHSA-N 361.467 2.760 0 50 FFAA C[C@H]1CCC[C@H](CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 131663475 JPMLQWYIXZSRPW-STQMWFEESA-N 350.488 2.932 0 50 FFAA Cc1ccc(-c2nc(C(=O)N3C[C@H]4[C@@H](C3)OCCN4C)cs2)c(C)c1 152035202 PBVLVZPAZRDMEV-DLBZAZTESA-N 357.479 2.582 0 50 FFAA C[C@@H]1CCc2[nH]nc(-c3nc(-c4nc[nH]n4)nn3[C@H](C)C(F)(F)F)c2C1 1875335807 HYQUAKYWPSNQNC-HTQZYQBOSA-N 366.351 2.701 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cccc(-c3ccncc3)n2)CC12CCCC2 1875304803 VQHYIQLNPVWLLF-HNNXBMFYSA-N 351.406 2.861 0 50 FFAA CCCC12CN3CC(CCC)(CN(C1)C(=O)c1ccccc1C3=O)C2=O 1424846 NSSZSGXRVJHZLD-UHFFFAOYSA-N 354.450 2.754 0 50 FFAA biogenic O=C1CC[C@@H](c2nc(-c3cc[nH]c4nccc3-4)no2)CN1CC(F)(F)F 2325777499 HXMGWQVGLACTPL-SECBINFHSA-N 365.315 2.833 0 50 FFAA CCn1ncc(Cl)c1CN1C(=O)Nc2cc(C)ccc2S1(=O)=O 2325800520 PFXYOLLDDCCXNE-UHFFFAOYSA-N 354.819 2.601 0 50 FFAA c1ccc(CN=c2[nH]c(N3CC[C@H]4CC[C@@H](C3)N4)nc3ccccc23)cc1 2325866764 ZBQLIUPJNZZEPF-MSOLQXFVSA-N 359.477 2.995 0 50 FFAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC(C4CCCC4)CC3)cc2=O)n1 900867678 BLPSXLNDRLYFJV-UHFFFAOYSA-N 369.469 2.615 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356139600 UITFPIOVMPQBAY-JOCHJYFZSA-N 365.477 2.865 0 50 FFAA O=C(NN1CCOCC1)c1cc(-c2ccccn2)nc2ccc(Cl)cc12 2867475 VLMLMFKSUBUBOG-UHFFFAOYSA-N 368.824 2.927 0 50 FFAA COc1ccc(CN2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)cn1 2356168336 ZGAIVBSUZYCYCN-OAQYLSRUSA-N 366.465 2.642 0 50 FFAA CCOc1ccc(Br)cc1CNCCCN1CCOCC1 6702721 GMTFKAHADXOIKB-UHFFFAOYSA-N 357.292 2.660 0 50 FFAA CC[C@@H](C)Sc1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 59759879 GNUJYLIXUDNSKR-SNVBAGLBSA-N 371.532 2.761 0 50 FFAA Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 102677864 SVZPHXFGEWCRMT-VAMGGRTRSA-N 361.445 2.839 0 50 FFAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 227783489 ZSXAKJYVNMEIIH-ARFHVFGLSA-N 357.454 2.853 0 50 FFAA CCc1noc(CN(CC)C(=O)c2ccc(CSc3ncccn3)o2)n1 55182803 UTETWBYJFIYRDL-UHFFFAOYSA-N 373.438 2.970 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65398372 LQXMRDBFXNAHCJ-HXUWFJFHSA-N 358.438 2.980 0 50 FFAA Cc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1C 109224011 CRHPEIPLCDNCTE-KRWDZBQOSA-N 351.406 2.773 0 50 FFAA COc1c(C)cnc(CN(C)c2cc([C@@H]3CCCNC3)nc(C)n2)c1C 67880206 ZMBYVPGEBRKDQB-MRXNPFEDSA-N 355.486 2.909 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NCc3cc(C)[nH]n3)nc2)n1 67919742 LAOYKDVMLJWXMP-UHFFFAOYSA-N 356.455 2.674 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@@H](c2ccccc2)C1 67878413 RQTAZFFWCOJOPE-QGZVFWFLSA-N 369.465 2.651 0 50 FFAA O=C1CCCc2occ(C(=O)N3CC[C@@H](c4ccc(F)cc4)[C@H](O)C3)c21 65490358 DRVZWYSJSCGVGQ-WMLDXEAASA-N 357.381 2.928 0 50 FFAA O=C(NCCc1nc(-c2ccccn2)no1)c1ccc2ncsc2c1 67934954 QDBGPUGQZHAMIY-UHFFFAOYSA-N 351.391 2.714 0 50 FFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@@H](N1CCOc3ccccc3C1)C2 67604232 ACBCOGQDMDYWEZ-MRXNPFEDSA-N 369.465 2.989 0 50 FFAA CN1CCCC[C@@H]1CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 65431190 ZFUNULANGBLFCW-MRXNPFEDSA-N 356.470 2.741 0 50 FFAA CCc1cc(N[C@H](C)c2cn3ccsc3n2)nc(N2CCOCC2)n1 65506276 VAAUMGXNSYACNQ-GFCCVEGCSA-N 358.471 2.758 0 50 FFAA CCN1CCN(Cc2cc(C(=O)NC[C@H]3CC[C@@H]4C[C@H]3C4(C)C)no2)CC1 67805737 FZORVCPQRXROAE-JFIYKMOQSA-N 374.529 2.614 0 50 FFAA Cc1nc(N)ncc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67757356 HYZOHAIXVPYFPP-HNNXBMFYSA-N 362.437 2.777 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 1406182 SJLITXWNRDFAIB-UHFFFAOYSA-N 358.463 2.578 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3ccc(C)n3)cn2)cc1 2808205 UBERJLIVMPQVCX-UHFFFAOYSA-N 365.466 2.662 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3cc(F)ccc3OC)C2)CCC1=O 77455915 DSIVXZQKYICINA-FQEVSTJZSA-N 364.461 2.685 0 50 FFAA Cn1nnc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4o3)cnc21 329692474 WLVVEAHRLIQVGR-HNNXBMFYSA-N 362.393 2.872 0 50 FFAA O=S(=O)(NCc1ccccc1)N1CCC[C@@H](Oc2ccc(F)cc2)C1 71763717 UBVGJCHFVQLUBO-GOSISDBHSA-N 364.442 2.704 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 153861391 NJAXQFGJCMAOGA-PXNSSMCTSA-N 367.493 2.902 0 50 FFAA COCCc1noc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 72158771 NXUVODAORVSQRD-BBTUJRGHSA-N 371.481 2.911 0 50 FFAA CN(C)CCCN(C)[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 72154582 SZNGHOKDMQFBKQ-SFHVURJKSA-N 358.530 2.533 0 50 FFAA C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N3CCOCC3)cc2)C1 72436893 IXLNUXRIJFNZCU-HDICACEKSA-N 359.514 2.621 0 50 FFAA O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 240454681 FYBNWBFMNMURFH-QGZVFWFLSA-N 360.816 2.939 0 50 FFAA O=C(NCCc1cc(N2CCCC2)ncn1)c1c[nH]nc1-c1cccs1 72473249 OAOGKKGOHXUXTP-UHFFFAOYSA-N 368.466 2.501 0 50 FFAA CCCc1cc(-c2nc(CC(=O)N[C@H](C(=O)O)C(C)C)cs2)ccn1 223241709 UVHMFJKPOXBUSL-INIZCTEOSA-N 361.467 2.926 0 50 FFAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 17072714 ITLXCYKHGQFXJE-SECBINFHSA-N 350.440 2.568 0 50 FFAA CC(C)CO[C@@H]1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 177142451 IYSFRXWNQVZJAE-CQSZACIVSA-N 366.845 2.912 0 50 FFAA C[C@H]1Cc2cc(-c3ccc(CNC(=O)C4(N)CCOCC4)cc3)ccc2O1 498210194 NKMXJPPSYDCEFF-HNNXBMFYSA-N 366.461 2.801 0 50 FFAA O=C(O)C1(Oc2ccccc2F)CCN(c2ncnc3c2CCC3)CC1 82137487 WGXMDMPCVOADEU-UHFFFAOYSA-N 357.385 2.607 0 50 FFAA Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)c2ccccc21 222666353 OERLFWDMPFUGGF-UYAOXDASSA-N 365.433 2.677 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@@H]1CCOC[C@H]1OCc1cscn1 223936175 YFWUFLKGDGDGMQ-HZPDHXFCSA-N 366.870 2.830 0 50 FFAA Cc1ccn2c(C(=O)NC[C@H]3CC(=O)N(c4ccccc4)C3)c(C)nc2c1 426490501 ZVBNNCHEYSWVHR-MRXNPFEDSA-N 362.433 2.734 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)c3cnc(-c4ccccn4)nc3)[nH]c2c1 426496975 RGYBUBVUVCRIJL-UHFFFAOYSA-N 358.405 2.996 0 50 FFAA Cc1sc2ncnc(N3CCC(NCCc4cnccn4)CC3)c2c1C 95502132 VFKHXWPIWZOJLP-UHFFFAOYSA-N 368.510 2.899 0 50 FFAA CCN1CCC[C@@H](CNC(=O)N(CCO)Cc2ccccc2Cl)C1 426369174 KRZMBQQNBNDPDW-HNNXBMFYSA-N 353.894 2.576 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H]1Cc3ccccc3CN1C)CCC2 97729528 LLRYRRJXNBFQDG-FQEVSTJZSA-N 350.462 2.857 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccsc2)C1 95528876 QZOAEURJTPOIPE-KRWDZBQOSA-N 360.527 2.845 0 50 FFAA COc1ccc(N2C[C@@H](c3nc(-c4cccnn4)no3)CC2=O)cc1Cl 95526767 ZPMVTVUQLQLFPN-JTQLQIEISA-N 371.784 2.709 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCN3CCCC[C@@H]3CO)c2c1 97785207 SXKVDPMZYKRKKU-QGZVFWFLSA-N 357.498 2.599 0 50 FFAA CCNc1ncc(C(=O)N(C)CCc2nc3cc(Cl)ccc3[nH]2)cn1 91848703 FREOFSZYLNMJKW-UHFFFAOYSA-N 358.833 2.753 0 50 FFAA C[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1 91829931 YMSJSBLMVZUIFA-QGZVFWFLSA-N 367.497 2.517 0 50 FFAA O=C(Nc1ccccc1-c1ccccc1)N[C@H]1COC[C@@H]1N1CCOCC1 96152955 FSEMTDOHFSQALY-PMACEKPBSA-N 367.449 2.575 0 50 FFAA Cc1nnc(SCCNC(=O)c2ccc3nc(C)c(C)nc3c2)s1 91380659 WAHRKRXACBLPPU-UHFFFAOYSA-N 359.480 2.929 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 97745220 LXHOXADFGGSLJI-CYBMUJFWSA-N 367.409 2.939 0 50 FFAA CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc(=O)[nH]1 182154912 KNMITJQDNJSOGM-GOSISDBHSA-N 366.417 2.906 0 50 FFAA Cc1cc(C)n(-c2ccccc2CN2CCN(C(=O)c3ccc[nH]3)CC2)n1 244900285 ZZGOUTVSHOUAKY-UHFFFAOYSA-N 363.465 2.775 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 299753701 YZZHXJWSWDJHIW-YDHLFZDLSA-N 353.365 2.551 0 50 FFAA O=C(CN1CCC[C@@H]1C(=O)O)N[C@H](Cc1ccccc1)c1ccccc1 299738574 CGYIKPPFNADDOF-RTBURBONSA-N 352.434 2.636 0 50 FFAA CNc1cc([C@H]2C[C@@H](Nc3ccc(C(=O)N4CCCC4)cn3)C2)ncn1 252551856 UICXGPUAMMGFML-GASCZTMLSA-N 352.442 2.507 0 50 FFAA Cc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)n(C2CCCC2)n1 299793040 IXBZHAYSUJYQKX-QGZVFWFLSA-N 363.506 2.881 0 50 FFAA COCCN1CCC[C@H](CN(C)C(=O)Nc2ccnn2-c2ccccc2)C1 299783281 XZIGPFVKTDBFBW-QGZVFWFLSA-N 371.485 2.694 0 50 FFAA Cc1nc(SCC(=O)Nc2ccc([C@H](O)c3cccs3)cc2)n[nH]1 828051977 PTZLRUVJTFIJNJ-HNNXBMFYSA-N 360.464 2.987 0 50 FFAA Cc1cc2cccc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)c2o1 1565513872 YZBLHEOVNJIVMU-IRXDYDNUSA-N 371.462 2.563 0 50 FFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 186655797 SKUHLEGCZYHLNM-HNNXBMFYSA-N 372.387 2.645 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)COc2cc(C)ccc2F)C12CCOCC2 187074152 AAKVOIQVHMBTRC-IAGOWNOFSA-N 351.418 2.603 0 50 FFAA Cc1cc(C)c(N2CC[C@H](Nc3nc(C)nc4c3cnn4C)C2=O)c(C)c1 191774224 QMOOERRDRRQSHI-INIZCTEOSA-N 364.453 2.814 0 50 FFAA CCCn1ccnc1CCCN(C)C(=O)c1cnn(-c2ccccc2)n1 192260254 MQKZLQDUAIJCGW-UHFFFAOYSA-N 352.442 2.579 0 50 FFAA CC(C)OC1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)CC1 730675097 LZGJUMPLJKLKGR-UHFFFAOYSA-N 358.442 2.759 0 50 FFAA COc1ccc(CN2CC[C@H](NCc3cccc(OC)c3F)C2=O)cc1 192684522 CYIAOKSMYJYWBI-KRWDZBQOSA-N 358.413 2.734 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)N3CCC(=O)Nc4ccccc43)c2O1 195504814 QRGAYVHMNDCKCI-UHFFFAOYSA-N 372.446 2.938 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)s1 1506410928 VTLOMZBWIYLIDT-HNNXBMFYSA-N 359.499 2.673 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1csc(-c2ncccn2)n1)C1CC1 1506419956 NYGXBRBWINUDEI-UHFFFAOYSA-N 368.466 2.755 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCC(O)(c2ccc(C)cn2)CC1 1506396386 FCIYWKGVEQIIMC-IBGZPJMESA-N 370.449 2.816 0 50 FFAA Cc1cc(C[C@@H]2CN(c3ncnc4sc5c(c34)CCCC5)C[C@@H]2O)n[nH]1 1704300478 WMIYGZMQABYHEK-DOMZBBRYSA-N 369.494 2.641 0 50 FFAA O=C(O)c1c(N2CCC[C@@H](CN3CCOCC3)C2)noc1-c1ccccc1 1772702679 VBBVJCUDHMJENV-HNNXBMFYSA-N 371.437 2.588 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN(C)C4(CCOCC4)C3)cn2)c1 1775983173 SWGFJOJXAHFDIC-UHFFFAOYSA-N 352.482 2.749 0 50 FFAA O=C(O)c1cccc(CN2CCCN(C(=O)Cc3ccsc3)CC2)c1 1772804106 GIPMDDADPPXZEQ-UHFFFAOYSA-N 358.463 2.723 0 50 FFAA COC(=O)c1ccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 11814995 DSZFKYMXOPGYCI-GOSISDBHSA-N 356.397 2.503 0 50 FFAA CN(C)C(=O)CCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 11821751 YHXVEMOHFOMVER-UHFFFAOYSA-N 363.364 2.637 0 50 FFAA CCn1ccnc1CN(Cc1ccncc1)CC1CCN(CCOC)CC1 12306448 WIHPAKGAZYLHFD-UHFFFAOYSA-N 371.529 2.659 0 50 FFAA COc1ccc(CC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 12404232 AUGQBOBHZYYWRB-LJQANCHMSA-N 368.433 2.785 0 50 FFAA Cc1ccc(CN[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)o1 12714017 QULKQPJMGWSOCO-GOSISDBHSA-N 356.470 2.754 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCC[C@H]2C)c1=O 15001642 MWYPTUZVTZWLCL-OAHLLOKOSA-N 361.486 2.830 0 50 FFAA Cc1c(CC(=S)N2CCOCC2)nnn1-c1cccc(C(F)(F)F)c1 19814066 DVMYFDGXGSJDCN-UHFFFAOYSA-N 370.400 2.797 0 50 FFAA COc1ccc2cccnc2c1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857527654 ZZNINKFKXPEHOC-NEPJUHHUSA-N 366.421 2.919 0 50 FFAA N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857713416 HZRXXXDWZJSYHF-FMKPAKJESA-N 374.872 2.788 0 50 FFAA CN(C)c1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)cc1 917018 HFWIBNGPTDQELD-INIZCTEOSA-N 370.430 2.875 0 50 FFAA COCCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@@H]1CC[C@H](C)C1 331147181 ZSBQPCBIEREXEB-DZGCQCFKSA-N 353.484 2.676 0 50 FFAA C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ncc(Br)cn1 332521213 ZFQUDALEWKPRRT-ZYHUDNBSSA-N 362.227 2.668 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CCO1 237961364 IQHAERKOUJIUBI-VIFPVBQESA-N 352.239 2.690 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 238023308 VTVVTUKIAMDFHW-IEBWSBKVSA-N 370.424 2.980 0 50 FFAA CC(C)C(=O)NCCN(C)C(=O)c1c(F)ccc(Br)c1F 239352062 AAYHBTYDLDTWKT-UHFFFAOYSA-N 363.202 2.572 0 50 FFAA C[C@H](N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1cc2ccccc2o1 240454741 FYKIRXDCHDIKBX-GOEBONIOSA-N 352.438 2.846 0 50 FFAA COc1ccc([C@H](CCO)NC(=O)c2cnc(O)c3ccccc23)cc1 240897250 IRNONBZKSGXKIB-SFHVURJKSA-N 352.390 2.803 0 50 FFAA c1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccc4c(c2)OCCO4)C3)nc1 253596040 MMEMOKAJHYSLKG-QUCCMNQESA-N 365.477 2.949 0 50 FFAA CC[C@H](C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)N(C)C 366293987 KKIGUELAIKAGRR-LJQANCHMSA-N 367.497 2.523 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3CC(=O)O)n2)cc1F 262917381 KBPJAEVTKZAHHI-CYBMUJFWSA-N 361.373 2.582 0 50 FFAA CN(Cc1nccn1C(F)F)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 913892409 PZNKKXUZLHMPIT-CHWSQXEVSA-N 359.373 2.735 0 50 FFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ccn(Cc2ccncc2)n1 850189936 PSGIELGEIOJRAP-QFBILLFUSA-N 352.442 2.640 0 50 FFAA O=S1(=O)CCC(CNc2nc(-c3ccccn3)nc3sccc23)CC1 858458454 VNBIWTXVRBBJCO-UHFFFAOYSA-N 374.491 2.990 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c1 868843933 CLUHQSTYKOVTDL-WBVHZDCISA-N 372.446 2.876 0 50 FFAA Cn1cc(CNC(=O)c2ccnc3[nH]c(CC4CC4)nc23)c(C(F)F)n1 1875296144 HKRXCNALRJUTNC-UHFFFAOYSA-N 360.368 2.512 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)C2([C@H]3CCCCO3)CCC2)c(F)c1 1875386824 ZTWPJMXYPLOFNV-GOSISDBHSA-N 374.456 2.984 0 50 FFAA C/C(=C\C(=O)N1CCC[C@](O)(Cc2nc(C)no2)C1)c1cccc(F)c1 886096429 HBCAFUFCEYSNDC-CWIMXHLESA-N 359.401 2.517 0 50 FFAA CC1(C)CO[C@@H](CS(=O)(=O)NCc2ncc(-c3ccccc3)o2)C1 2325775771 IPTUVRURKHZDRV-CQSZACIVSA-N 350.440 2.576 0 50 FFAA CC(C)CC(=O)N[C@H](C)C[C@@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868256 UOVYHYXIFVRFRN-VUCRHFMTSA-N 351.535 2.695 0 50 FFAA Fc1cc(N2CCC[C@H](Nc3cc(N4CCOCC4)ccn3)C2)ccn1 2325900185 OBRFBIOKJKTTEN-HNNXBMFYSA-N 357.433 2.533 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CC(c2cccc(Br)c2)=NO1 1126292 QKBPXVLWZNBYKD-HNNXBMFYSA-N 360.211 2.654 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1OC 1157483 BZWQZNJCJOVDMT-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA COc1ccc(CC(=O)c2cc(OC)c(OC)cc2CC(=O)O)cc1OC 1205899 MGTCSBXFQWXQDZ-UHFFFAOYSA-N 374.389 2.774 0 50 FFAA biogenic COc1cnccc1-c1ccc(C(=O)NC[C@@H](O)c2cccc(O)c2)cc1 2356135858 WSBOLCVLGOZGTO-LJQANCHMSA-N 364.401 2.926 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2csc3c2CCCC3)C[C@@H]1O 2356138238 JOANNZGAJAURCW-YJBOKZPZSA-N 351.468 2.705 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 2356147512 ZKRCJRKJWWZLOG-HXUWFJFHSA-N 372.419 2.607 0 50 FFAA CCc1ccc(NC(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356157711 NFEKYFRGYJFYPE-HXUWFJFHSA-N 351.454 2.963 0 50 FFAA CCC(=O)Nc1ccc(C(=O)Nc2nnc(SCCOC)s2)cc1 6272972 WRTOTZIWKAJMRU-UHFFFAOYSA-N 366.468 2.877 0 50 FFAA CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O 9935489 XMMWFITZSAPKBU-UHFFFAOYSA-N 354.406 2.557 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)Cc1nc(-c2ccccn2)no1 55119521 DQOPGOYUECCPSE-KRWDZBQOSA-N 368.393 2.706 0 50 FFAA COc1c(C)cc([C@H](C(=O)O)N2CCC(Oc3ncccn3)CC2)cc1C 55197388 GVRIDQWWULIYSL-QGZVFWFLSA-N 371.437 2.771 0 50 FFAA COCCN(Cc1ccc(C)cc1)C(=O)C[C@H]1NC(=O)c2ccccc21 55271685 KAMQYBBTDDMERP-LJQANCHMSA-N 352.434 2.845 0 50 FFAA O=C(NCCc1nc2ccccc2s1)N1CCN(Cc2ccco2)CC1 54396162 CMRTUQWALZYRBE-UHFFFAOYSA-N 370.478 2.959 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1noc(C3CCCC3)n1)C2 67723403 IDOGDRPXCBRLKB-AWEZNQCLSA-N 357.410 2.603 0 50 FFAA Cc1ccc([C@H](C)NC(=O)CN(C)Cc2nc(-c3ccncc3)no2)cc1 65374442 YJVODPHLUHCWCW-HNNXBMFYSA-N 365.437 2.749 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)[C@H]2COc3c(cccc3OC)C2)CC1 67692695 FGHRMDGRCSCHEZ-QGZVFWFLSA-N 369.465 2.938 0 50 FFAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@H](Nc2ccccc2)C1 229793961 VYTODONLVNMBMD-MAUKXSAKSA-N 367.449 2.971 0 50 FFAA CC(C)[C@@H](CNC(=O)NCC(=O)NCc1ccco1)Cc1ccccc1 252571013 XOFKRIVQASMBEU-QGZVFWFLSA-N 357.454 2.710 0 50 FFAA O=C(c1cnn2ccccc12)N1CCN([C@H]2CCc3ccccc3C2)CC1 72143379 RWBNXUYRPFBHAP-IBGZPJMESA-N 360.461 2.650 0 50 FFAA COc1cccc(OC[C@H](O)CNC(=O)c2ccc3nc(C)sc3c2)c1 215343320 LRGLATPETJGQCS-CQSZACIVSA-N 372.446 2.783 0 50 FFAA O=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccccc1Cl 4753622 VUJXPPAVBGXTLO-UHFFFAOYSA-N 368.736 2.776 0 50 FFAA COc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)[C@H](C)C2=O)cc1 72164995 YKRYRQSOORKYDO-OAHLLOKOSA-N 368.433 2.704 0 50 FFAA Cc1noc([C@@H](Nc2ncncc2Br)C2CCOCC2)n1 328609706 FOGZQQNMESSTEC-NSHDSACASA-N 354.208 2.510 0 50 FFAA Cc1noc([C@@H](NCc2cnn(Cc3ccccc3)c2)C2CCOCC2)n1 328616391 BOTUNBQDYRUJLD-IBGZPJMESA-N 367.453 2.880 0 50 FFAA COCCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71749781 WJQFXEVYMIUSSK-QFIPXVFZSA-N 366.461 2.686 0 50 FFAA CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C)nc(-c3cccnc3)n1)CC2 151977914 HRDZYIKOOLTOTK-IAGOWNOFSA-N 354.454 2.603 0 50 FFAA CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(CC=C(C)C)c(=O)c2n1 72468661 AIOUDKGJVDUKJC-UHFFFAOYSA-N 354.385 2.628 0 50 FFAA CC(=O)c1ccc(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)cc1 363621216 XBEVWUOAHWTZPR-UHFFFAOYSA-N 364.445 2.806 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCC(c2nc(-c3ccccc3)no2)CC1 72162474 HDEWGDMSZCGSBJ-UHFFFAOYSA-N 367.409 2.626 0 50 FFAA O=C(c1ccoc1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77503407 JBJRSTCZGJSXOZ-UHFFFAOYSA-N 369.469 2.822 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3nn(C)c4ccc(C)cc34)C2)CCC1=O 72421090 LNZIZZLAPCMGHF-NRFANRHFSA-N 368.481 2.746 0 50 FFAA O=C(CN1CCC(c2cn[nH]c2)CC1)Nc1ccc(N2CCCCC2)nc1 376483484 IHWBEIGNTZNPLM-UHFFFAOYSA-N 368.485 2.613 0 50 FFAA C[C@H](c1ccc(F)cc1)N1CCC[C@H](N2C(=O)[C@H]3CCCCN3C2=O)C1=O 333562193 QTURXXPUWOVLOH-XYPHTWIQSA-N 373.428 2.694 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CCn3c(C)cccc3=O)CC2)c1 77490059 KCJCRPVTUORQJJ-UHFFFAOYSA-N 354.450 2.925 0 50 FFAA COc1ccccc1[C@H]1CCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 173037830 MPQKDBMEGOXFMP-HLLBOEOZSA-N 370.449 2.534 0 50 FFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCOCC3)cnc21 77436890 JMAGXDHUOMMXPA-UHFFFAOYSA-N 356.813 2.761 0 50 FFAA COc1ccc(C)cc1CS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@H]1C 178304548 YNRXYCNWJGAQKE-NVXWUHKLSA-N 367.511 2.956 0 50 FFAA O=S(=O)(NCCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)nc1 241586444 OWBHDXCQFPKVDX-UHFFFAOYSA-N 372.368 2.556 0 50 FFAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 241720858 QSWHHYJWDPWQHX-DNVCBOLYSA-N 351.450 2.873 0 50 FFAA O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCO[C@H](Cn2cccn2)C1 221175992 PSGAFIWUJPBXSQ-KRWDZBQOSA-N 373.840 2.630 0 50 FFAA O=C(COc1ccccc1)Nn1c(=S)[nH]c2sc3c(c2c1=O)CCC3 17076460 TZYFMBMMQBUAHY-UHFFFAOYSA-N 373.459 2.758 0 50 FFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426690227 DORPENRKJGJVSA-CQSZACIVSA-N 367.371 2.914 0 50 FFAA CCN1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H](OC)C1 220617457 OMYOYLRNEKWRNM-STQMWFEESA-N 350.768 2.808 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCCn4cncn4)C3)nc12 82108051 DPRWGQJRJKJYST-HNNXBMFYSA-N 352.442 2.649 0 50 FFAA CCc1cccc(C)c1N1C[C@@H](C(=O)NCCc2c(C)n[nH]c2C)CC1=O 221354816 TYCWAHIXAVLOAX-KRWDZBQOSA-N 368.481 2.609 0 50 FFAA COc1ccc([C@@H](NC(=O)CSc2ccccc2)C2CC(O)C2)cn1 222785221 VHCWKSFXNQVGPS-JFIBYHEFSA-N 358.463 2.811 0 50 FFAA Nc1nc(NCCc2ccc(C(F)(F)F)cc2)cc(C2CC(N)C2)n1 220302572 WGYBRIICKDQYSX-UHFFFAOYSA-N 351.376 2.937 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)COCc2nc3c(C)cccc3[nH]2)n1 223462936 ZECYHKULNJXGGZ-UHFFFAOYSA-N 369.469 2.750 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N1CC(OCc2ccccc2F)C1 426428072 OQDZIJLDMPUEQZ-UHFFFAOYSA-N 357.429 2.788 0 50 FFAA Cc1cccc(CN2CCN(C(=O)N[C@H](C)c3ccc(C)nc3)CC2=O)c1 426405851 YDBBXLJVIZBKMI-QGZVFWFLSA-N 366.465 2.813 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)cc1 91270162 KSSXARLVKRTTII-HNNXBMFYSA-N 366.465 2.691 0 50 FFAA CN(CCNc1cc([C@H]2CCOC2)ncn1)Cc1nc2ccccc2s1 426465184 MDNQCTQGYQNTDX-AWEZNQCLSA-N 369.494 3.134 0 50 FFAA CC(C)c1noc(CCNC(=O)CN2CCC[C@@H](c3ccccc3)C2)n1 95381970 KDNIEPHHLVSRMW-QGZVFWFLSA-N 356.470 2.731 0 50 FFAA CCS(=O)(=O)CCNC(=O)CC1c2ccccc2CCc2ccccc21 95505093 JLQWHVKKZDPWDC-UHFFFAOYSA-N 371.502 2.858 0 50 FFAA C[C@@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@@]1(O)C1CCC1 91426922 IDZSBXKNRFQWLF-VGSWGCGISA-N 356.510 2.660 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccccc1F)C2 91563457 AFPRAJIWBHQYGG-GOEBONIOSA-N 368.412 2.989 0 50 FFAA COc1ccc(Cn2cc([C@@H](C(=O)O)N(C)Cc3ccoc3)cn2)cc1 95352528 HYPVRSYDYKWCEL-SFHVURJKSA-N 355.394 2.791 0 50 FFAA O=C1CCC2(CCN(C(=O)C3CCCCC3)CC2)CN1CCc1c[nH]cn1 91616736 UZXPGMLCBMIVPG-UHFFFAOYSA-N 372.513 2.764 0 50 FFAA O=C(c1cccc2nccnc12)N1CCN(c2ccc(F)cc2F)CC1 97815135 YWXNRBSANZICGI-UHFFFAOYSA-N 354.360 2.870 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)c2cnn(-c3ccccc3OC)c2)n1 91435191 MZZGOEBICCDJRB-HNNXBMFYSA-N 367.409 2.804 0 50 FFAA COc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244647109 GVHQUXOIDYAJDR-WHSLLNHNSA-N 368.433 2.682 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 299743124 LYDLREABJYIISG-MRVWCRGKSA-N 352.228 2.876 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCc1ccsc12 539804197 SUFQLFJDOXXMMV-UHFFFAOYSA-N 368.480 2.606 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CSCc1cc(C)cc(C)c1 299785192 JREXFOSLDAPXGN-ROUUACIJSA-N 350.528 2.760 0 50 FFAA COc1cc(C(=O)NCc2nc(-c3ccccn3)no2)nc2ccccc12 824614911 BOBXLTQQKCFERC-UHFFFAOYSA-N 361.361 2.618 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1noc(C2CC2)n1 823357847 RUHGCIYUUQQLQK-UHFFFAOYSA-N 371.846 2.786 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2)C1 584893184 WWDOFKHHRNMXPS-SFHVURJKSA-N 350.418 2.626 0 50 FFAA Cc1nccn1CCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 670462929 NVPYZMGXYOXCIZ-GOSISDBHSA-N 373.476 2.637 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)[C@@H]2C[C@H]2C)c2n[nH]cc2c1 983916475 CTXYGSJAQCDVSZ-QIJZBDPFSA-N 368.481 2.884 0 50 FFAA O=C(NCc1cc(-c2ccco2)on1)[C@@H](c1cccnc1)N1CCCC1 952967137 YHRPSCCJSDIFQN-GOSISDBHSA-N 352.394 2.783 0 50 FFAA Cc1nc(-c2ccc(NC(=O)CN(C)Cc3ccc(F)cc3)cc2)n[nH]1 952988306 QTHUGCBQVBLXAF-UHFFFAOYSA-N 353.401 2.990 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)NCc2cccs2)n1 952992240 YXXOOWSIYIOPNE-CYBMUJFWSA-N 350.444 2.757 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1ccccc1C(F)(F)F)C2 1565527376 KXQVEKLCHHXQOZ-HOCLYGCPSA-N 370.415 2.817 0 50 FFAA O=C(CCOc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565506950 AIZDSYQWYPIDAK-QUCCMNQESA-N 365.477 2.974 0 50 FFAA CC[C@@](C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O 97758818 SGXRGVNSKNQWSC-HXUWFJFHSA-N 368.412 2.608 0 50 FFAA in-vitro Cc1nccc(N2CCN(C(=O)c3csc(-c4ccc(C)o4)n3)CC2)n1 185406856 ALHBXCIUUNMWML-UHFFFAOYSA-N 369.450 2.772 0 50 FFAA Cc1ccccc1C1CCN(C(=O)CN(C)c2ncnc3nc[nH]c23)CC1 170947519 BSWGNGGMLLBEEV-UHFFFAOYSA-N 364.453 2.504 0 50 FFAA O=C(c1cc(N2CCCC2)ccn1)N1CCO[C@@H](c2cccc(O)c2)C1 189313645 YRUCMTZXQOFLEH-LJQANCHMSA-N 353.422 2.601 0 50 FFAA O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCO[C@@H](C(F)F)C1 194208478 LGZRKXXYYSHKQP-OAHLLOKOSA-N 373.421 2.509 0 50 FFAA Cc1csc(N(C(=O)CCN2CCCS2(=O)=O)c2ccccc2)n1 195000799 CQCSUMWHQKFGHJ-UHFFFAOYSA-N 365.480 2.542 0 50 FFAA Cc1ccc2c(C)cc(N3CCCN(CC(=O)N(C)C)CC3)nc2c1C 1529159041 MUEGPSRPTAGZEO-UHFFFAOYSA-N 354.498 2.760 0 50 FFAA CCN(CC)Cc1cc(CN(CCO)Cc2cnc(C)[nH]2)ccc1OC 1704307342 XIDXORZCLYKFAF-UHFFFAOYSA-N 360.502 2.563 0 50 FFAA O=C(O)c1c(N2CCC(C(=O)N3CCCC3)CC2)noc1-c1ccccc1 1704326028 RJWPOLZJOLFHTK-UHFFFAOYSA-N 369.421 2.879 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)C[C@]23CC[C@H]1O3 1704343306 GHFXZPWXCZANDQ-LTVCHDBBSA-N 367.449 2.523 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)oc2c1 1800411719 MJIPRWPWPNIALJ-NRFANRHFSA-N 363.417 2.945 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1c[nH]nc1C1CCCCC1 1704357585 SMZCUQFOYHPFGX-SJLPKXTDSA-N 354.454 2.840 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCCN(C(=O)c2cccs2)CC1 1772810996 RQPICINDYDDZIW-UHFFFAOYSA-N 373.434 2.857 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1 12308751 WIEQIUCMGKLVOH-GFCCVEGCSA-N 362.480 2.985 0 50 FFAA CCCCn1c(CN(C)CC[C@H]2CCCCO2)cnc1S(=O)(=O)CC 12434352 VRRGPOUVVIWGSO-QGZVFWFLSA-N 371.547 2.868 0 50 FFAA CC[C@]1(CCC(=O)NCC2(c3ccccc3)CCOCC2)CCC(=O)N1 12511614 OHNXUMMXJLBSNA-NRFANRHFSA-N 358.482 2.690 0 50 FFAA CN(C[C@H]1CCCN1C)C(=O)c1coc(COc2cccc(F)c2F)n1 14960366 OMXLILQSWWRLGE-GFCCVEGCSA-N 365.380 2.698 0 50 FFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)CSC)CC1 14965529 UCWWLPAXTRFJJC-UHFFFAOYSA-N 353.459 2.903 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCO[C@H](CC2CCCCC2)C1 15073638 ZPGXFJJQIUFNRK-GOSISDBHSA-N 350.503 2.977 0 50 FFAA CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860661 KJQMNQLBVPUKKO-HNNXBMFYSA-N 372.918 2.654 0 50 FFAA Cc1ccccc1-c1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 200516583 RIHFQZGBCHSTFN-VXKWHMMOSA-N 352.478 2.539 0 50 FFAA Cc1cc(=N)[nH]cc1C1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1857529308 NKKLNSSGYBEAFO-OLZOCXBDSA-N 369.469 2.568 0 50 FFAA COc1cccc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)c1 1857716181 AFPQDGFGTCUDRE-SFTDATJTSA-N 359.441 2.622 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@]23CC[C@H]1O3 1857728935 GKMHAFIVMJHIHS-TVFIUFHYSA-N 352.837 2.660 0 50 FFAA Cc1cc([C@H]2CCCN2CCC(=O)NC(=N)O)ccc1Br 331153104 CESIPPIYARNPIZ-CYBMUJFWSA-N 354.248 2.893 0 50 FFAA O=C(Nc1ccc(C2CC2)nn1)N1CCN(c2ccccc2Cl)CC1 333165138 JBFRARFBQXITHS-UHFFFAOYSA-N 357.845 3.362 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 237734239 VEMNUFPAMQLTQM-XBFCOCLRSA-N 374.466 2.710 0 50 FFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CC[C@H](n2cc(Cl)cn2)C1 377745213 MVWWJUIJMBCWHK-HNNXBMFYSA-N 371.832 2.655 0 50 FFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ncoc3C(F)(F)F)C2)o1 952888233 NXIITASDHYNYKV-BDAKNGLRSA-N 358.320 2.780 0 50 FFAA COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)n[nH]1 1875253815 JJFXQBWCHYOWEX-UHFFFAOYSA-N 362.389 2.624 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCc3cc(O)ccc3C2)CC1=O 1875317890 LZWVUFNKQDFZHI-HNAYVOBHSA-N 364.445 2.887 0 50 FFAA C=CC(=O)NCCC(=O)N[C@@H](C(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 1875365830 OLKFGYPJJOOFCF-DLBZAZTESA-N 372.387 2.572 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc(C2CC2)oc1C1CC1 1875400688 IPIULASQTYWDOT-JCURWCKSSA-N 355.438 2.800 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1c[nH]cc1-c1ccc(F)cc1 1875402138 CHQVZLAYIIETCB-MJXNMMHHSA-N 368.412 2.587 0 50 FFAA COCCN=c1[nH]cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)s1 2325824571 GXGRQWKLYWRPDJ-UHFFFAOYSA-N 371.466 2.678 0 50 FFAA O[C@H](CNCc1cccc2ccccc12)Cn1cc(Br)cn1 2325870308 RVRGHATZDXSBRI-MRXNPFEDSA-N 360.255 2.950 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)C2)c(C)cn1 2325875108 GHZPGDGZZDTZPB-TWILYEHCSA-N 355.482 2.808 0 50 FFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OCC)c1 724944 QQTUYMUPKJGINQ-MRXNPFEDSA-N 358.398 2.537 0 50 FFAA CCc1ccccc1NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 2943930 GMWHLDHMBVQFSK-UHFFFAOYSA-N 356.422 2.564 0 50 FFAA O=C(O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 4641452 FVFIDMHABTUZKO-UHFFFAOYSA-N 370.224 2.729 0 50 FFAA CCOc1ccc(C=O)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 4731366 XJNIESWNUVSWRF-SJORKVTESA-N 352.434 2.679 0 50 FFAA biogenic CO[C@@H]1O[C@@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 4775752 APDHEXOZIKRKSN-MBOZVWFJSA-N 356.374 2.830 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944443 GASMTOXQZKDUNN-QMMMGPOBSA-N 355.341 2.985 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)c(OC)c2)C1 4990299 RQHJEUFWGDBUAB-MRXNPFEDSA-N 364.486 2.793 0 50 FFAA COc1ccc(CC(=O)Nc2ccccc2CN2CCOCC2)cc1OC 55816219 PWPGJVGLUZROOS-UHFFFAOYSA-N 370.449 2.717 0 50 FFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1nnc(S)n1C1CC1 112904072 JWJXPXICAVBWFA-QMMMGPOBSA-N 370.837 2.778 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)c(C)c1 58444998 JZBWIPFEQYVUMP-MRXNPFEDSA-N 352.438 2.605 0 50 FFAA CNC(=O)[C@@H]1C[C@H](NCC2CCCCC2)CN1C1Cc2ccccc2C1 23153614 BGDXVRAPGJKQTI-FPOVZHCZSA-N 355.526 2.513 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N(C)Cc2cc[nH]n2)no1 67790240 MPISRLKKQFPSME-UHFFFAOYSA-N 358.423 2.971 0 50 FFAA Cc1ccc2c(c1)[C@@H](CC(=O)NCc1cc(-c3ccco3)on1)C(=O)N2 67459926 RXOXJENVDSIUFT-CQSZACIVSA-N 351.362 2.985 0 50 FFAA CN(C)[C@H](C(=O)NCc1nnc(-c2ccccc2)o1)c1cccc(F)c1 65396182 YILWCAHBKGUMMD-KRWDZBQOSA-N 354.385 2.795 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C1CCN(S(C)(=O)=O)CC1 67724265 KERSTUAOKCTHTC-UHFFFAOYSA-N 365.524 2.666 0 50 FFAA Cc1nc2n(n1)C[C@H](NC(=O)c1cnc(Cc3ccc(F)cc3)s1)CC2 171345700 ARCVHCUKSRPURP-CQSZACIVSA-N 371.441 2.518 0 50 FFAA C[C@H](NC(=O)c1cc2n(n1)CCCN(C)C2)c1nc2c(s1)CCCC2 65495471 HUAOGHSITLBMQR-LBPRGKRZSA-N 359.499 2.545 0 50 FFAA C[C@H]1CN(c2ccccc2)CCN1Cc1cnc(N2CCOCC2)s1 67846788 ZVZXQHMRGMUGLZ-INIZCTEOSA-N 358.511 2.690 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1CCCN1C(N)=O 72477790 UBWDFZCTQREOCH-GOSISDBHSA-N 353.422 2.980 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2cccs2)C2CCCC2)C1 230187406 MPWIYTCQMRQNBL-HOCLYGCPSA-N 370.540 2.767 0 50 FFAA COc1ccc(C2(C(=O)NCC3(N(C)C)CCOCC3)CCCC2)cc1 73322756 QAYMBEJOGYXMOJ-UHFFFAOYSA-N 360.498 2.734 0 50 FFAA CCN1CC2(CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1=O 72424607 OFRXPZJJSMWJSO-UHFFFAOYSA-N 356.445 2.846 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2ncnc3c2c(C)nn3C)n1 72479961 BHZFHDUWPWHLKG-VIFPVBQESA-N 367.379 2.944 0 50 FFAA CN(C)S(=O)(=O)c1ccc(-c2nccc(CCC(F)(F)F)n2)cc1 71759351 ZYZKQEFATNDGAZ-UHFFFAOYSA-N 359.373 2.889 0 50 FFAA CN(Cc1nc(C2CC2)n[nH]1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328625726 DLOIXPRJVJXRHF-SNVBAGLBSA-N 354.380 2.592 0 50 FFAA O=C(c1ccc(C[C@H]2CCCNC2)cc1)N1CCC(c2ncc[nH]2)CC1 72410450 YRWBWQXTNKLFDY-QGZVFWFLSA-N 352.482 2.972 0 50 FFAA COc1cc(C(=O)NS(=O)(=O)c2ccc(Cl)cn2)ccc1Cl 125476168 ORRCWYOYBOUEHR-UHFFFAOYSA-N 361.206 2.516 0 50 FFAA CC(C)NC(=O)CSc1ccccc1C(=O)N1CCC[C@@H]([C@@H](C)N)C1 156195696 IAZNXPSJOXHJJH-HUUCEWRRSA-N 363.527 2.503 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)cn1 333268082 JZQUILAOSWCKAC-ICSRJNTNSA-N 368.481 2.539 0 50 FFAA Clc1ccc([C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)CCO2)cc1 71738842 CUOOYQIRFHKFPS-SFHVURJKSA-N 374.872 2.540 0 50 FFAA O=C(O)[C@@]1(CCc2ccccc2)CCCN(c2ncnc3[nH]cnc23)C1 71758859 QCEXUVBOIUSQHI-LJQANCHMSA-N 351.410 2.657 0 50 FFAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c1 215434904 GQNNVNQOTPAJEW-SFHVURJKSA-N 372.490 2.957 0 50 FFAA COc1ccc(CN2CCN(Cc3ccncc3)C[C@@H]2CCO)c(C)c1C 76863377 XPLBEJCNADBKKZ-NRFANRHFSA-N 369.509 2.776 0 50 FFAA Cc1cc(C(=O)N(CC(=O)O)Cc2ccccc2)nc(C(F)(F)F)n1 263104980 JDRFPPDUVHXQLH-UHFFFAOYSA-N 353.300 2.531 0 50 FFAA CCc1nc(NC(=O)NCCc2nc(-c3ccccc3)cs2)nn1C 48441259 UGVCDZKPYRCYPJ-UHFFFAOYSA-N 356.455 2.865 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccco2)ccc1=O 49547636 BYUUMQDSTJYIMC-HNNXBMFYSA-N 351.406 2.641 0 50 FFAA O=C(c1csc2c1CCCC2)N1CCC[C@@H](c2ccn(CCO)n2)C1 426530456 OATRESMQKFLONC-CQSZACIVSA-N 359.495 2.836 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1=O 92077396 BZIYZNVMTHQFOM-UHFFFAOYSA-N 358.486 2.540 0 50 FFAA Cc1ccc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)c(F)c1 91656827 CZIUBLOXHGUKCM-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)no1 95522456 YOBNKYKXCYCTQY-MRXNPFEDSA-N 351.410 2.643 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)CN1C[C@@H](c2ccccc2)CC1=O 95500993 WSXMUXWILLNREH-INIZCTEOSA-N 353.422 2.527 0 50 FFAA CCC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@H]1NS(C)(=O)=O 91434135 SSHGHHWSAAXXJD-CRAIPNDOSA-N 369.531 2.872 0 50 FFAA COc1cc(C)c(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C 91586157 IFRCHDFEQCECQR-UHFFFAOYSA-N 374.525 2.899 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 97179454 BLQWFHJXCMRUDC-IBGZPJMESA-N 365.477 2.676 0 50 FFAA Cc1ncsc1CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91769716 QDWLVRCVZWCVEU-LSDHHAIUSA-N 362.426 2.850 0 50 FFAA O=C(O)CN(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 95500175 YZIUCHHSCXHMIQ-GOSISDBHSA-N 364.461 2.603 0 50 FFAA CCCn1cnnc1CNC1CCN(c2ncnc3c(C)csc23)CC1 95353148 LRTWFRLVHHUIKC-UHFFFAOYSA-N 371.514 2.760 0 50 FFAA CC(C)SCC(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2 91586172 XXHPEBOZJDGQDQ-UHFFFAOYSA-N 350.532 2.789 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)[C@H]2COc3ccccc3C2)o1 95511643 CCLDQJCEIJUDII-MRXNPFEDSA-N 374.506 2.942 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239175829 QRJMXOZJNLNEDV-PSJNWGMYSA-N 364.445 2.685 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)cc1)CC2 91587342 GBJNKZLRAVPBGY-UHFFFAOYSA-N 358.482 2.876 0 50 FFAA Cc1ccc2nc(C(=O)N3CC[C@]4(CC(=O)c5ccccc5O4)C3)cn2c1 92004248 XRWDRLOLEPOOJA-NRFANRHFSA-N 361.401 2.893 0 50 FFAA CCN1CC2(CCN(CCC(=O)N(C)C)CC2)C[C@H](c2ccccc2)C1=O 95361972 FZNMDIUIYXLKNZ-LJQANCHMSA-N 371.525 2.583 0 50 FFAA O=C(O)C[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)[nH]c2ccccc12 95520029 GTRBQKKMDQOPBV-GOSISDBHSA-N 362.385 2.742 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91665200 SYAXORQSTVKJBJ-RBUKOAKNSA-N 364.493 2.884 0 50 FFAA Cc1ccc(C[C@@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 181135153 DPLKWDRKFGHJOW-QGZVFWFLSA-N 365.477 2.990 0 50 FFAA CC1(C)OC(C)(C)c2c1cnn2Cc1nnc([C@H]2C[C@@H](N)C2)n1C1CC1 244723699 MFQUARSPFDJNDE-TXEJJXNPSA-N 356.474 2.563 0 50 FFAA CC(C)CN1CCN(C(=O)c2ccc(-c3ccncc3N)cc2)[C@@H](C)C1=O 534666120 VHTADHXDHSIFGP-HNNXBMFYSA-N 366.465 2.660 0 50 FFAA CCn1cnnc1CCNC(=O)c1cccc(-c2cc(C)c(C)nc2O)c1 534649305 YXLNUOWHDDPIPO-UHFFFAOYSA-N 365.437 2.655 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)NC1CCN(C[C@H]2CCCO2)CC1 299755952 GPCYPOFGDJBRBF-GOSISDBHSA-N 369.469 2.842 0 50 FFAA Cn1ccn2ncc(C(=O)N3CCC(c4nc5ccccc5n4C)CC3)c12 299756108 BUGXWTMQUHFEMM-UHFFFAOYSA-N 362.437 2.579 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 1352281991 XKAANMGCQODLSF-HXUWFJFHSA-N 374.437 2.711 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1onc2c1CCCC2 1565510302 GWLFSQQCYFIRPC-ROUUACIJSA-N 356.422 2.658 0 50 FFAA C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CC(NC(=O)C2CCC2)C1 170600902 FFXGCOYAUJKFHZ-SNVBAGLBSA-N 370.280 2.921 0 50 FFAA Cc1ccc(C(=O)NC2CCN(c3ncnc4onc(C)c34)CC2)s1 195511931 WZXVBOVCHVXHQB-UHFFFAOYSA-N 357.439 2.695 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616073672 RGIROOSTZBQNEW-SFTDATJTSA-N 369.509 2.612 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)c2nc3c(s2)CCCC3)CC1 1506396779 JFLXZOAAPJQUDD-UHFFFAOYSA-N 359.451 2.603 0 50 FFAA COc1ccc2cc([C@@H]3CN(CCn4cnnc4C)CCO3)ccc2c1 1529189903 BOPRAZZGKSPAIU-FQEVSTJZSA-N 352.438 2.822 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1nccc(N2CCC[C@H](O)C2)n1 1529105735 HHVQIDPIEPKYOZ-INIZCTEOSA-N 355.417 2.695 0 50 FFAA CCOCCC(=O)N1CCCN(C(=O)[C@H](C)c2ccc(Cl)cc2)CC1 1772706232 VWVUEOZAPIIHEE-OAHLLOKOSA-N 366.889 2.931 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)c1csc2nc(-c3ccc(C)cc3)cn12 12441896 XFTIKYAACYQKOI-OAHLLOKOSA-N 368.462 2.722 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 13331346 WOQVJHRZRYTWKQ-UHFFFAOYSA-N 352.500 2.518 0 50 FFAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)c(Cl)c1Cl 13670823 HNXIKOMRPFCVQA-NXEZZACHSA-N 368.282 2.926 0 50 FFAA COc1cccc2c1OCC(CN1CCN(CCC(C)C)[C@@H](CCO)C1)=C2 19229273 AKWDAVHUMIQZIO-FQEVSTJZSA-N 374.525 2.886 0 50 FFAA CCCCS(=O)(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857707877 OBEYBJKXAZEPJT-YESZJQIVSA-N 372.918 2.574 0 50 FFAA COc1cc(-c2nccn2Cc2cnc3cnccn23)cc(OC)c1OC 1857738116 RSVUWSFPLPJHRT-UHFFFAOYSA-N 365.393 2.667 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCC(C)CC2)c1 12213596 KZSPSDZYHPWNSA-UHFFFAOYSA-N 361.486 2.515 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1nnc2n1CCCC2 135302258 LOAYVUNUOPRPAQ-CYBMUJFWSA-N 365.437 2.998 0 50 FFAA CCOc1ccc([C@H](O)C2CCN(Cc3ccn(C)c(=O)c3)CC2)cc1 812864110 XVHYQZOJNCASCN-NRFANRHFSA-N 356.466 2.730 0 50 FFAA CCn1ncnc1CN1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 952886803 BBQZXDGCAGFVHM-GOSISDBHSA-N 366.469 2.674 0 50 FFAA NC[C@H]1CCCC12CCN(C(=O)CCCN1Cc3ccccc3C1=O)CC2 1875287273 BXBHTPCKHPUSCL-GOSISDBHSA-N 369.509 2.790 0 50 FFAA Cn1cnc2cc(C(=O)N3C[C@@H]4CCC[C@]4(C(F)(F)F)C3)ccc2c1=O 1875301073 CLGIRGGMFCTBQO-SJCJKPOMSA-N 365.355 2.738 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@H]3CCCC[C@@H]3n3cccn3)CC2)CC1 1875385862 DDUAHIIDTNJJHT-ROUUACIJSA-N 370.497 2.688 0 50 FFAA CCN=c1cc(CNC(=O)NCCc2cn(C)c3cccc(C)c23)cc[nH]1 1875316489 UPUBFROGZDQTFJ-UHFFFAOYSA-N 365.481 2.777 0 50 FFAA C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cnn2ncccc12 1875407610 DXZRZFFSNYNCRI-IIAWOOMASA-N 356.451 2.685 0 50 FFAA COc1cccc(-n2cc(C(=O)N3CC(C)(c4ccccc4F)C3)nn2)c1 885742108 IYSWVXIHZHZXPL-UHFFFAOYSA-N 366.396 2.829 0 50 FFAA CCc1nc(N)cc(N2CCN(c3cccc(Br)c3)CC2)n1 2325724611 WNFYDFGHTYNVPC-UHFFFAOYSA-N 362.275 2.710 0 50 FFAA COc1cccc2[nH]cc(CC(=O)N3CCNC(=O)c4c(C)cccc43)c12 2325729484 YQAJDVWOAFJQBI-UHFFFAOYSA-N 363.417 2.804 0 50 FFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(CC2CCOCC2)s1 2325781369 KIBKTKAVFCXAGD-CQSZACIVSA-N 360.483 2.904 0 50 FFAA CC(C)(C)c1ccc([C@@H](CO)NC(=O)[C@H](N)Cc2ccc(O)c(F)c2)cc1 2325791134 XXPDDARXEUTQPK-QZTJIDSGSA-N 374.456 2.548 0 50 FFAA C[C@@]1(CNc2ccc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)cn2)CC=CCC1 2325825402 OUKCHOVIMOTHHE-RTWAWAEBSA-N 368.481 2.592 0 50 FFAA O=C(Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)[C@H](O)C1CC1 871427430 WPQITSZUMFAKDA-HXUWFJFHSA-N 350.418 2.891 0 50 FFAA COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 754340 TWSTVZBEFBQGQE-FUHWJXTLSA-N 352.390 2.873 0 50 FFAA biogenic COc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1OC 771865 ZKLBZOHWBKUYBF-RDJZCZTQSA-N 352.390 2.873 0 50 FFAA biogenic COc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1OC 1447513 SZHNQKXEJVSKMV-UHFFFAOYSA-N 370.434 2.529 0 50 FFAA Cc1ccc(-c2cc(CN3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)on2)cc1 2356136332 QBISNZYKZANRQZ-PMACEKPBSA-N 372.465 2.517 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccc(OC)c(Cn4cncn4)c3)C[C@H]21 2356168540 HVPAUKWBEFHETB-DSKINZAPSA-N 370.497 2.708 0 50 FFAA COc1ccc(Cc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 2815983 QCXWBMZVLJCKHF-UHFFFAOYSA-N 361.448 2.938 0 50 FFAA in-vitro COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2)cc1OC 2899147 IVRZFMYUENICCE-UHFFFAOYSA-N 362.813 2.655 0 50 FFAA biogenic COC[C@H]1CCCN(C(=O)c2ccc(NCCc3nccs3)nc2)C1 20272034 DNZVAHQRZSWJBK-AWEZNQCLSA-N 360.483 2.691 0 50 FFAA CN(Cc1ccc(-c2nc(O)cc(C(F)F)n2)cc1)Cc1nncn1C 23251435 KOOBFZQKLROHTJ-UHFFFAOYSA-N 360.368 2.547 0 50 FFAA Cc1nc([C@H]2CCCNC2)cc(N(Cc2c(C)nn(C)c2C)C2CC2)n1 67754462 MTEQJAAAWBBYGY-INIZCTEOSA-N 354.502 2.771 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1N1CCCCC1=O 134541907 VGUPDWFSAAPJLX-CQSZACIVSA-N 368.437 2.994 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67739969 LELJPVIDPKPXDV-CQSZACIVSA-N 374.393 2.623 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(CCO)CC1 67934533 YBFKCBBUBFBZOY-UHFFFAOYSA-N 369.387 2.779 0 50 FFAA Cc1ccnc(N2CCN(C(=O)[C@H]3CCc4cc(C)ccc4O3)CC2)c1 476366863 RALRAPSOOILANP-LJQANCHMSA-N 351.450 2.741 0 50 FFAA CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1Cl 252481881 CUNMTKDFNWVPPC-UHFFFAOYSA-N 372.805 2.648 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCN(c2ccccc2)C1=O 12303886 ODGFTRHSBZBDOG-GOSISDBHSA-N 360.417 2.542 0 50 FFAA COC(=O)C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl 5660274 KBAUDKOVCUNTTN-LBPRGKRZSA-N 359.856 2.984 0 50 FFAA CCCCc1nn(CC(=O)N(C)[C@@H]2CCCc3ccccc32)c(=O)n1CC 77439623 FBFBTQNHRKPTLP-GOSISDBHSA-N 370.497 2.943 0 50 FFAA CNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72433748 VJBPPVBEQAOPST-UHFFFAOYSA-N 356.813 2.586 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCc3noc(-c4ccccc4)n3)n2)c1 72454138 AHEDIFUHFDWWGE-UHFFFAOYSA-N 374.360 2.899 0 50 FFAA c1coc(CCCNc2ncnc3c2CCN(C[C@@H]2CCOC2)CC3)c1 72407864 ITCCUWNFPSBJHX-INIZCTEOSA-N 356.470 2.551 0 50 FFAA Cc1ncsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328655636 YOYWQHUKOVUQGB-RYUDHWBXSA-N 354.476 2.593 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnc3c(c2)c(C)nn3C)cn1 328651002 VSQSJGOLJKPTGQ-ZWKOTPCHSA-N 354.458 2.503 0 50 FFAA c1cnc(N2CCCN(Cc3cc(CN4CCCC4)cs3)CC2)nc1 214978164 QQDYAFYTMKNOMN-UHFFFAOYSA-N 357.527 2.846 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)cnn1Cc1ccccc1 363118591 AUBDBBRXSUQHPI-LJQANCHMSA-N 352.482 2.940 0 50 FFAA Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(=O)[nH]c1C 72477955 ZSXOVGUGEWRDDB-UHFFFAOYSA-N 369.509 2.718 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CCS[C@@H]2COCC[C@H]21 124985949 ZHMYUESSABHURO-UKRRQHHQSA-N 361.492 2.508 0 50 FFAA COc1ccc(OCCCOc2cccc(C(=O)NC[C@H](C)O)c2)cc1 437613292 JOOKIAXGBGRONK-HNNXBMFYSA-N 359.422 2.654 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@@H](CCc2ccccc2F)C1 71765183 DOEDNGAUXTVLBK-AWEZNQCLSA-N 353.401 2.748 0 50 FFAA COc1ccc([C@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F 72438603 HBKWWPFSKXIYAI-ZDUSSCGKSA-N 355.417 2.997 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)CC[C@@H]3CCCN(C)C3)CC2=O)c1 77319279 BRZSEGUJSJWSLM-SFHVURJKSA-N 357.498 2.601 0 50 FFAA Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3CCCN(C4CCC4)C3)C2)c1 332843817 FTGNSIRDHQYOIA-YQVWRLOYSA-N 359.518 2.801 0 50 FFAA Cc1c[nH]c(CN2CCC(c3cc(N4CCCC4)ncn3)CC2)c(C)c1=O 72478960 RGSWAECPWUHXIU-UHFFFAOYSA-N 367.497 2.762 0 50 FFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)cc1 77471858 FAZLFNASZDUOMR-MRXNPFEDSA-N 350.422 2.969 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 77341373 UCIJQPIBAHIDCT-CQSZACIVSA-N 351.410 2.624 0 50 FFAA CC(C)Cc1ccc(CCC(=O)NS(=O)(=O)c2ncccc2F)cc1 240900746 ITODTADVKVUPMW-UHFFFAOYSA-N 364.442 2.857 0 50 FFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1cccc([C@H]2CCOC2)c1 262849210 HPSQVMQTYBLKLU-WMZOPIPTSA-N 357.381 2.928 0 50 FFAA CCCOc1cc(OC)ccc1C(=O)NCCn1c(=O)[nH]c2ccccc21 241409069 NEIQPMQJGDWAAD-UHFFFAOYSA-N 369.421 2.557 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)c3coc4ccccc34)CC2)n1C 77472373 LQSADJCLYFXRRL-UHFFFAOYSA-N 367.453 2.643 0 50 FFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N4CCCN4[C@H]3C2=O)cc1 136837872 SZYVGNZNZKOBDV-IPMKNSEASA-N 365.408 2.670 0 50 FFAA COCCN1CCC[C@H](CNC(=O)N(C)Cc2ccccc2Cl)C1 426589911 CTQPJGZZJRGUFF-OAHLLOKOSA-N 353.894 2.840 0 50 FFAA COc1csc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1 176594668 QQBNBYBGDDYYGY-ZDUSSCGKSA-N 359.451 2.951 0 50 FFAA COCc1nc(Cc2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)cs1 289229770 YJUXWBMBMUJOOR-XJKSGUPXSA-N 358.423 2.904 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)NCc1nc2c(s1)CCCC2 222603975 VJCITYSBSUFKFJ-UHFFFAOYSA-N 364.492 2.502 0 50 FFAA Cc1c[nH]c(CN2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)c(C)c1=O 91808465 HKJKAHLYPQQHDU-CYBMUJFWSA-N 359.857 2.882 0 50 FFAA COCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)ccc1OC 91665729 UDHKSFJWNITCHJ-PKOBYXMFSA-N 358.482 2.674 0 50 FFAA Cc1ccc(C)c(OCCN(C)C(=O)Cn2nccc2[C@@H]2CCCNC2)c1 426440213 CPSNDCPTIRNKHF-GOSISDBHSA-N 370.497 2.504 0 50 FFAA CCOc1ccc(NC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c(F)c1 96179693 YCEOMRMFPCJOKL-GOSISDBHSA-N 371.412 2.799 0 50 FFAA C/C=C/CC(=O)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 91746101 HKOVWILCFDRAOQ-NSCUHMNNSA-N 355.482 2.822 0 50 FFAA Cc1nn(C)cc1NC(=O)NCC1CCN(CCc2ccccc2)CC1 96131420 VRDAVSLXLJLKMA-UHFFFAOYSA-N 355.486 2.805 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN[C@@H](c2ccccc2)C1 96141867 WHONNFWMDYXGSL-LJQANCHMSA-N 364.449 2.992 0 50 FFAA Cc1nnc(CC(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 292313803 WJQGCHWNMFIXNF-UHFFFAOYSA-N 374.444 2.835 0 50 FFAA CC1(C)SC[C@H](C(=O)N2CCC(Cc3ccccc3F)CC2)NC1=O 95386430 GCXBFFJCURZBOA-MRXNPFEDSA-N 364.486 2.617 0 50 FFAA Cc1nc(CC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cs1 95359839 ZSGJXJYQAITHGR-KRWDZBQOSA-N 369.490 2.659 0 50 FFAA CCC[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O 97758815 VDGIZMNHDDBEBU-INIZCTEOSA-N 368.412 2.608 0 50 FFAA in-vitro O=C1C[C@@H](C(=O)N2CC(OCc3ccc(F)cc3)C2)c2cc(F)ccc2N1 91943915 SOHVTIPBINOTQG-QGZVFWFLSA-N 372.371 2.818 0 50 FFAA Cc1cc(C)nc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)n1 91526290 HNKFWXXTFXDKDN-NRFANRHFSA-N 365.481 2.898 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCCc1noc([C@H]2CCCO2)n1 91974233 HCQAQNMVDCHDAP-LLVKDONJSA-N 350.444 2.782 0 50 FFAA Cc1cc(=O)n(CC(=O)N2CCCC[C@H]2CCc2ccccc2)nc1C 95365887 QHOGKJYLUQHGNI-IBGZPJMESA-N 353.466 2.874 0 50 FFAA Cc1nc(CC2CCN(CCC(=O)Nc3cc(F)ccc3F)CC2)no1 244701123 KAOXAQIRAVHYMJ-UHFFFAOYSA-N 364.396 2.940 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCN(c4nsc5ccccc45)CC3)ncn2)C1 244723874 MJCOWYIFLAIHPM-OKILXGFUSA-N 367.478 2.651 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCN(C/C=C/c4ccccc4)CC3)ncn2)C1 252535823 GYYKFSMPFZDXJG-NPYXICJMSA-N 350.466 2.550 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1=O)c1ccc(N2CCCC2)c(F)c1 181600857 NPXVBNNTWNXZKD-INIZCTEOSA-N 354.381 2.800 0 50 FFAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3ccc4c[nH]nc4c3)cc1)C2 534576760 ZGLQLNOJDURWPI-MSOLQXFVSA-N 360.417 2.581 0 50 FFAA CC(C)n1cnnc1CNC(=O)C1(C)CCN(Cc2ccccc2)CC1 184753913 WKJUQOUTKXYIKZ-UHFFFAOYSA-N 355.486 2.778 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccccc2F)CC1 263588144 PPQLXOXHKVAVTR-UHFFFAOYSA-N 371.456 2.872 0 50 FFAA CCCn1cc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c(C)n1 43005015 YJCZXHHFKUYEAW-GOSISDBHSA-N 362.543 2.732 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 299758897 FFOGFLZAFXPVQQ-AWEZNQCLSA-N 360.845 2.534 0 50 FFAA O=C(c1conc1-c1ccccc1)N1CCCC[C@H]1CN1CCOCC1 299766953 FGXGIVUSZDEQAR-KRWDZBQOSA-N 355.438 2.669 0 50 FFAA CCc1oc2c(NC(=O)NCCN3CCC[C@@H](C(N)=O)C3)cccc2c1C 299767068 DMLMSJVTXCECCQ-CQSZACIVSA-N 372.469 2.622 0 50 FFAA Cc1ncsc1CCCNC(=O)c1cccc(-c2nc(C)n(C)n2)c1 299758671 LTRUNFNJTOMYQI-UHFFFAOYSA-N 355.467 2.918 0 50 FFAA COc1ccccc1N1C[C@@H](NC(=O)N2CCc3sccc3C2)CC1=O 584886323 RRDJSGRQNGBYPD-AWEZNQCLSA-N 371.462 2.630 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnn(C2CCOCC2)c1 269741740 NTUVEYUKSHFREI-GOSISDBHSA-N 361.467 2.509 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)n1 167207374 FRGMYSGXRLVSOY-LJQANCHMSA-N 362.433 2.854 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CCO2)cn1 189219777 REMQWTNXFIEMAY-LJQANCHMSA-N 373.478 2.593 0 50 FFAA Cc1c(NC(=O)Cc2ccc3c(c2)OCO3)nnn1Cc1ccccc1F 192368006 IAXMQROSMAZOGP-UHFFFAOYSA-N 368.368 2.684 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 194517532 CQBCDJZENZGBHA-ZWHFUDEPSA-N 357.372 2.891 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)c1 868726349 TZRSTYUWUOIOFK-MSOLQXFVSA-N 351.406 2.856 0 50 FFAA O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Br 753277 AABQOKSTOUWPHF-UHFFFAOYSA-N 362.245 2.712 0 50 FFAA CNC(=O)c1cccnc1N1CCCN(c2nc3ccccc3s2)CC1 1506417289 MDQJXUOKDQUMOR-UHFFFAOYSA-N 367.478 2.768 0 50 FFAA Cc1cc(N)n(CC(=O)NCc2ccccc2OCc2ccccc2)n1 1506402959 LIRLHAZLJRGLDU-UHFFFAOYSA-N 350.422 2.669 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2O)n[nH]1 1529167688 PYMAZOIVHAEOHV-AUUYWEPGSA-N 356.857 2.955 0 50 FFAA Cc1c(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)n[nH]c1-c1ccccc1 1529182587 VGQMYPUXQWLDPR-IXDOHACOSA-N 366.465 2.714 0 50 FFAA Cc1c(Br)c(-c2nnc(S)n2Cc2ccco2)nn1C 5439089 PRCIPJYATKXWLA-UHFFFAOYSA-N 354.233 2.680 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3C)C2)c(OC)c1 12431282 MMSXFLYXWUFFOH-OAHLLOKOSA-N 357.454 2.841 0 50 FFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C2CC2)C1 12471193 DCGVXHZXTRFPOA-SFHVURJKSA-N 373.541 2.707 0 50 FFAA O=C(c1c[nH]cn1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 12445822 RCUKQALBRZTXND-NRFANRHFSA-N 352.482 2.971 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)Nc3ccccc3)CC2)C1 12468673 DISJVSDIMDUZHS-INIZCTEOSA-N 370.497 2.674 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO 19743743 PMPNSZNOPWXXMC-FQEVSTJZSA-N 356.514 2.787 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1 169779838 DXHKYYREJMOXEU-UHFFFAOYSA-N 350.422 2.662 0 50 FFAA Cc1cc2nc3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n3c2cc1C 4481236 UANCDXBJZYDDDK-CAOOACKPSA-N 350.399 2.802 0 50 FFAA CCOC1CCN(C(=O)C2CCN(c3nc4nc(C)ccc4o3)CC2)CC1 1857672718 YAJCTGHJLBEXBX-UHFFFAOYSA-N 372.469 2.775 0 50 FFAA Cc1nn2cc(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)nc2s1 1857730995 HDRAWPIYLUZMFL-UHFFFAOYSA-N 352.423 2.728 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3nc4ccccc4s3)C[C@]23CC[C@H]1O3)C1CC1 1857735229 NPYBMIXBOMPUCJ-XGNBGGDFSA-N 369.490 2.806 0 50 FFAA O=C(O)c1cc(I)cc(I)c1 4014502 FHTJRJBWLBXVPO-UHFFFAOYSA-N 373.915 2.594 0 50 FFAA in-vitro Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 331910996 LTEUTKRRLATFHN-ZWKOTPCHSA-N 355.486 2.751 0 50 FFAA CC[C@@](C)(NC(=O)Cn1c(=O)cnc2ccccc21)c1nc(C)cs1 151233605 HUYHSSRXZLGXAG-GOSISDBHSA-N 356.451 2.603 0 50 FFAA Cc1cccc(S(=O)(=O)Nc2c(C)c(C)nn2C)c1Br 158435064 CIAUPTARSYXIHW-UHFFFAOYSA-N 358.261 2.909 0 50 FFAA Cc1cc(C)c(N2CC[C@H](OC(=O)c3nc[nH]c4nccc3-4)C2=O)c(C)c1 850008662 ZQQCQEWXXYOVKK-HNNXBMFYSA-N 364.405 2.797 0 50 FFAA CCc1ccc(CN2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)cc1 873388881 QEJLSQJTASZDHD-UHFFFAOYSA-N 354.498 2.866 0 50 FFAA COC(=O)N1C[C@H]2CC[C@H]1[C@H](CN=c1cc(-c3ccccn3)nc(C)[nH]1)C2 1875266405 HZFXHANNVPTLFO-MPGHIAIKSA-N 367.453 2.548 0 50 FFAA O=C(N[C@H]1COC2(CC2)C1)N1CC[C@](O)(c2cccc(C(F)(F)F)c2)C1 1875295014 BGAFQWIMHSYNBC-RHSMWYFYSA-N 370.371 2.630 0 50 FFAA CS(=O)(=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ns1 1875390216 SXQAKATXEVGFTE-UHFFFAOYSA-N 351.236 2.806 0 50 FFAA Cc1nnc(CNC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)s1 1875393060 FBKODYMLPVMTQF-XZOAIXRZSA-N 357.483 2.752 0 50 FFAA COc1ccc(C[C@H](CN)CO)cc1-c1cc(F)cc(Cn2ccnc2)c1 899325650 YUHZOBWMBGWQJZ-QGZVFWFLSA-N 369.440 2.856 0 50 FFAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3CC2)cc1 2100557406 RJJXNUGZHDAGON-UHFFFAOYSA-N 372.490 2.616 0 50 FFAA Cc1cccnc1[C@H]1CCN(C(=O)C[C@@H](O)c2nc3ccccc3[nH]2)C1 2325810716 ZNAMBRSBBZWZSC-WMLDXEAASA-N 350.422 2.706 0 50 FFAA CC(=O)N[C@H]1CC[C@@H](N=c2[nH]c3ccc(Br)cc3o2)CC1 2325868127 PKQQJOIYEHODBS-TXEJJXNPSA-N 352.232 2.871 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@]3(CCCC[C@@H]3O)C2)cc1 2325888053 WRIUDXWLEFPPIJ-GHTZIAJQSA-N 356.466 2.646 0 50 FFAA O=C(CSc1nc2ccccc2o1)Nc1cc(C(=O)O)cc(C(=O)O)c1 2462315 UAXBUMSKAUGVOU-UHFFFAOYSA-N 372.358 2.955 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cc(O)nc3ccccc23)C1=O 2356158068 BYBZTOZGUYTWSW-NRFANRHFSA-N 367.449 2.946 0 50 FFAA CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 2841661 IEVIORGJWMACIW-JKSUJKDBSA-N 374.824 2.736 0 50 FFAA CCCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCOC 4141163 AZLPTJSCGFKASU-KRWDZBQOSA-N 362.426 2.683 0 50 FFAA COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3O)n2C)cc1 6701722 GKRBPEFRSYDTIY-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA CN(Cc1ccc2nonc2c1)Cc1nc(-c2ccc3c(c2)OCO3)no1 55358203 SNOWZKHXGBEPHF-UHFFFAOYSA-N 365.349 2.634 0 50 FFAA O=C(O)c1cnc2c(c1)n(CCCCCF)c(=O)n2CCc1ccccn1 55254500 TWJOGCKSGGEWBP-UHFFFAOYSA-N 372.400 2.674 0 50 FFAA CCOc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)cc1 20782126 VJSOGXGRXMKSLU-FQEVSTJZSA-N 370.493 2.860 0 50 FFAA CCc1nc2nnc3c(=O)n(-c4ccc(Cl)c(Cl)c4)ccc3n2n1 67630644 GSGVUBGRBYKXKA-UHFFFAOYSA-N 361.192 2.693 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)[C@H]1CCOC1 2356096824 HLOBHZCZGWMKEM-PZJWPPBQSA-N 366.461 2.775 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 65456098 SDPRLURAJNSPMY-IBGZPJMESA-N 358.405 2.635 0 50 FFAA CC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1ccc(S(C)(=O)=O)cc1 65370676 HXYTYHXCPYJMHZ-OAHLLOKOSA-N 363.483 2.828 0 50 FFAA O=C(c1ccccc1)C1CCN(C[C@]2(O)CCCN3CCCC[C@@H]32)CC1 63845350 ZRBJRDGYNMRIOQ-IFMALSPDSA-N 356.510 2.961 0 50 FFAA CCCc1nc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cs1 65527062 XFDCXFXPYRJWLP-DZGCQCFKSA-N 374.462 2.815 0 50 FFAA Cc1ccsc1C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 12432582 NETJXHNXKRJARU-ZDUSSCGKSA-N 368.480 2.945 0 50 FFAA COc1ccc(N2C(=O)/C(=C\NC3CC3)c3ccccc3C2=O)cc1OC 121401317 MSVGVCZFLWJBTO-ATVHPVEESA-N 364.401 2.984 0 50 FFAA O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 329375010 NSCXCJLQDGVUPI-IAGOWNOFSA-N 352.438 2.626 0 50 FFAA CC[C@@](CNC(=O)c1cnc2cc(C)nn2c1C)(C(=O)O)c1ccccc1 263126987 YPEQMAFRRGVBHE-FQEVSTJZSA-N 366.421 2.509 0 50 FFAA CCCNC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 71419478 NZBYOTIEYIEXFM-FQEVSTJZSA-N 369.553 2.856 0 50 FFAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1ccc2[nH]c3c(c2c1)CCCC3 215393659 DUAHDWGBKLDSFB-HNNXBMFYSA-N 353.466 2.688 0 50 FFAA COc1cccc(CNC(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)n1 376670221 GBNQERFMUFQDSK-ZDUSSCGKSA-N 370.457 2.626 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCCN(C(=O)CCCc3cn[nH]c3)C2)cc1 72158814 KDFIFFCDWCNLEC-INIZCTEOSA-N 355.438 2.912 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)n1C 72463322 ILXSWVOYUYIUDK-AWEZNQCLSA-N 374.558 2.592 0 50 FFAA Cc1cc(C)c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(=O)[nH]1 72454491 FVAAIYMYCXCKOS-UHFFFAOYSA-N 368.462 2.564 0 50 FFAA CCCN(C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1CCNCC1 236847940 ZXEULGBUIMKFKE-HDICACEKSA-N 373.541 2.900 0 50 FFAA COc1ccccc1OCCN1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 495452901 XGYNPHGZDVRQEV-CABCVRRESA-N 358.442 2.532 0 50 FFAA COC(=O)c1[nH]c(C)c(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C 377978163 XGMXNOFTMFLWEA-MRXNPFEDSA-N 367.449 2.695 0 50 FFAA CCc1nc2nnc3c(=O)n(-c4ccc(Cl)cc4Cl)ccc3n2n1 71376006 JKTHZRXBLHBDBT-UHFFFAOYSA-N 361.192 2.693 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 173693926 TWCNIRPXXQSGEQ-MCIONIFRSA-N 351.237 2.820 0 50 FFAA Cc1c(C(=O)Nc2ccc(OC(F)F)nc2)cnn1C1CCOCC1 282831127 JUGZTKYVBLJNSI-UHFFFAOYSA-N 352.341 2.792 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1c(C)c(C(F)(F)F)nn1C 284958436 RFTHGTMGRGRKCI-GHMZBOCLSA-N 371.363 2.680 0 50 FFAA CC(C)c1cc(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)n(C)n1 82133864 KODOXDOVWRJBID-UHFFFAOYSA-N 364.453 2.501 0 50 FFAA Cn1cc(N2CCC[C@H](NC(=O)NCC3(c4ccc(F)cc4)CC3)C2)cn1 175162699 ZUFUIMDSAKEKRX-KRWDZBQOSA-N 371.460 2.559 0 50 FFAA O=C(NC[C@@H](O)CN1CCCCCC1)c1ccc(-c2ccc(F)cn2)cc1 426428267 JOPYNGBKFVEVIC-LJQANCHMSA-N 371.456 2.854 0 50 FFAA O=C(NCCc1cscn1)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223472496 ZQZXERVCSLQKSZ-NSHDSACASA-N 370.400 2.742 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 426387160 WKIBTHWKRQUTSX-JTQLQIEISA-N 353.831 2.702 0 50 FFAA Cc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CCCCC3)CC2=O)cc1 82107837 VYVAEDSGWFTKPX-GOSISDBHSA-N 357.498 2.825 0 50 FFAA Cn1c(SCc2cccc(Br)c2)nc2c(=O)[nH]cnc21 20427939 HWFFUBHXSWDPRA-UHFFFAOYSA-N 351.229 2.711 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)c1cccc(N2CCOCC2)c1 221230104 MFJNSJNBXVXFCD-UHFFFAOYSA-N 365.477 2.922 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c1 426489543 MJSQAOHDJNELJW-MRXNPFEDSA-N 353.422 2.895 0 50 FFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CO)C3)cc2)c1 95525599 DWDWPHVJHKRUKW-KRWDZBQOSA-N 368.433 2.532 0 50 FFAA COc1cccc(N2CCN(c3nc4c(s3)c(C)nn4C)[C@H](C)C2=O)c1 95527727 PUPKAQFAMRFTIA-GFCCVEGCSA-N 371.466 2.589 0 50 FFAA NC(=O)C1(NC(=O)NCc2ccc(CN3CCCC3)cc2)CCCCCC1 426615454 KQRQFERAPKYYMO-UHFFFAOYSA-N 372.513 2.660 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)cc(=O)[nH]1 95362157 NHDDYLPPEOGIRD-HNNXBMFYSA-N 369.469 2.869 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 178607088 QNNMCZUDWNKGJD-LLVKDONJSA-N 370.350 2.854 0 50 FFAA O=C(C[C@H]1CCc2ccccc21)NC1CCN(C(=O)c2ccncc2)CC1 91997920 QWVDCZSMQCAGKC-GOSISDBHSA-N 363.461 2.923 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)ccn1 91551077 PYRLHDZTKMVFMD-UHFFFAOYSA-N 362.437 2.528 0 50 FFAA O[C@H](Cn1cc(-c2ccc(-c3nnn[nH]3)cc2)nn1)c1ccccc1Cl 95357695 RYXYFOBVKCPGFL-MRXNPFEDSA-N 367.800 2.512 0 50 FFAA Cc1cc(C)nc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)c1 95526672 SNEKXFCSOSBVNL-IBGZPJMESA-N 365.477 2.748 0 50 FFAA Cc1cccc([C@@H](C(=O)NCCc2nc(C)c3c(n2)CCC3)N(C)C)c1 95353733 SRIXEXJHQJMCTP-FQEVSTJZSA-N 352.482 2.544 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1cc(C)nc(C(C)C)n1)CC2 91908079 ZWPLLUHFNRANQJ-UHFFFAOYSA-N 360.502 2.764 0 50 FFAA FC(F)(F)c1noc(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)n1 91656897 CGQBBTSPTWHZNP-CMPLNLGQSA-N 373.404 2.641 0 50 FFAA C[C@@H](O)CN1CC2(CCC1=O)CCN(CCCOc1ccccc1)CC2 91952388 MCTNOXBNHPESEB-GOSISDBHSA-N 360.498 2.541 0 50 FFAA Cc1nnc(N[C@H]2C[C@@H](c3cc(O)nc(N(C)C)n3)C2)c2ccccc12 253535252 MFGJFQOSALWVQH-BETUJISGSA-N 350.426 2.858 0 50 FFAA COc1ccc(N(C)C(=O)c2cnc3c(cnn3C)c2OC)cc1Cl 183098931 WBFGMOVYUOKHSI-UHFFFAOYSA-N 360.801 2.916 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCCN(c2ccccc2F)C1 184406836 WQZAIXBAAYVNFF-ZDUSSCGKSA-N 354.389 2.659 0 50 FFAA O=C(NCc1ccccc1F)c1nnn2c1CO[C@@H](c1ccccc1)C2 263617010 LQGWIZFUJVBWSB-QGZVFWFLSA-N 352.369 2.619 0 50 FFAA Cc1nccc(N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)n1 184958264 AUWYRVSTTNNAMS-UHFFFAOYSA-N 367.840 2.949 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCc4ccccc43)cnn2c1 67983401 LCUXYRGNLFKTLE-LJQANCHMSA-N 363.465 2.988 0 50 FFAA COCCNC(=O)[C@@H]1C[C@@H](NC2CCCCCC2)CN1Cc1ccccc1 299769515 QBZVAFPFAUMFDU-RTWAWAEBSA-N 373.541 2.705 0 50 FFAA COc1nccnc1-c1cccc(C(=O)N(C)CCCc2nccn2C)c1 299761470 LZVLTODXGPEPFF-UHFFFAOYSA-N 365.437 2.591 0 50 FFAA CCc1cc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)nc(C)n1 299767830 VWHXNMYMJSSFKR-UHFFFAOYSA-N 366.465 2.757 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)NCc3snnc3C)ccc21 299778074 MBTURFLXGAHTOY-UHFFFAOYSA-N 361.427 2.687 0 50 FFAA CN(Cc1nc2ccccc2[nH]1)C(=O)NC[C@H]1CCN(C2CCCC2)C1 584897313 NXEQZIZFGUZZQS-OAHLLOKOSA-N 355.486 2.969 0 50 FFAA C[C@@H](CNC(=O)N(Cc1cccnc1)C1CCCCC1)N1CCOCC1 584900454 ZYTWBAMEFBGJAI-KRWDZBQOSA-N 360.502 2.647 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1OCCc2ccccc21 268951225 QKKHGQNSRYDBHG-OALUTQOASA-N 351.402 2.729 0 50 FFAA Cc1c(CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)cnn1C 301819918 ATBBTKZIGNMZMZ-UHFFFAOYSA-N 365.771 2.818 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1OC 1565513674 HXYUHIOOGWYPNA-WMZOPIPTSA-N 358.482 2.927 0 50 FFAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)ccc1O 1565510264 POZCGGDNWNSVIN-YJBOKZPZSA-N 361.369 2.506 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2c[nH]c3ccccc23)o1 275356322 MGCMDSKSVKSHHT-INIZCTEOSA-N 354.410 2.817 0 50 FFAA Cc1cc(N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)no1 170613747 KOVUYLWNMYBYIQ-GFCCVEGCSA-N 350.172 2.885 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccn(-c2ccccc2)n1 279218296 FKIZTPGHNWCYEG-CQSZACIVSA-N 351.410 2.752 0 50 FFAA O=C(O[C@@H]1CCCN(c2ccccc2)C1=O)c1nnc(O)c2ccccc12 734572932 HUHYUXFNKWEMMA-MRXNPFEDSA-N 363.373 2.688 0 50 FFAA COc1ccc([C@](C)(O)[C@@H]2CCCN2Cc2cn3cccnc3n2)cc1 761712581 IIZHBJIAHKFHTN-ICSRJNTNSA-N 352.438 2.610 0 50 FFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCC[C@H](N2CCCC2)C1 796258260 ATCZELQUCRLRAS-JKSUJKDBSA-N 356.388 2.826 0 50 FFAA COc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)c(Cl)c1OC 1616085306 WDKVMSOPLVDYLM-HOTGVXAUSA-N 362.857 2.788 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC(O)(c3cccnc3)CC2)c1 1506412148 MSGCOAHJZIBGHP-GOSISDBHSA-N 367.493 2.859 0 50 FFAA Cc1nc(C)c(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)s1 1772705693 PDHKRFVMNGUUCY-PMPSAXMXSA-N 359.495 2.647 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)n1 1772704098 LWXSURDFZBSICP-UZLBHIALSA-N 373.428 2.551 0 50 FFAA Cc1cncc(N2CCCN(C(=O)c3ccc4ncsc4c3)CC2)n1 1772818230 AOZBDOOWZXOLAS-UHFFFAOYSA-N 353.451 2.747 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CC(Cc2cccc3ccccc23)=NO1 11789203 DWKJWKCBTVPRMS-FQEVSTJZSA-N 362.433 2.886 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 12380454 NURWPMMKSXAXHL-OAHLLOKOSA-N 358.413 2.950 0 50 FFAA CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)cs1)c1ccccc1 17070349 KCGVUMSRYBSNLY-UHFFFAOYSA-N 350.465 2.809 0 50 FFAA Cc1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)sc1C 169772903 PNQOLQORCXXDMW-JTQLQIEISA-N 373.413 2.767 0 50 FFAA COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)c1ccccn1 156592701 YVQAEZHHLMBHKX-UHFFFAOYSA-N 362.432 2.908 0 50 FFAA COc1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)ccn1 1857667941 JAXYJPYEZHSGCE-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c2cccc(C)c2n1 1857722780 NQTKCZGMPFVOFY-ABSDTBQOSA-N 365.477 2.833 0 50 FFAA O[C@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)CC[C@@H]1c1ccc2c(c1)OCO2 210274129 NZHCBDHHGMSGCV-WBVHZDCISA-N 367.405 2.749 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccco2)C[C@@H]1N1CCOCC1 246179496 TVTCJDXIKNRIQC-IMFGXOCKSA-N 369.465 2.731 0 50 FFAA CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 363474536 NSTSZRGHWKYTME-DLBZAZTESA-N 353.470 2.668 0 50 FFAA COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2CO)ccc1O 31163562 FHYQIQMSODIFCP-WARYXCEBSA-N 372.373 2.717 0 50 FFAA biogenic,in-vitro CN1C(=O)[C@H]2COC[C@@H]1CN(c1ccnc3c(C(F)(F)F)cccc13)C2 1704335057 KPNIGYYMTCTHHM-NEPJUHHUSA-N 365.355 2.547 0 50 FFAA CC(C)Oc1cccc(C(=O)NCc2cnc(N(C)C)n2C)c1Cl 952876822 YMUBKLJSZRIOET-UHFFFAOYSA-N 350.850 2.857 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2c(F)cccc2Br)CC1 1875387117 PKXPEPNLXCSGEK-UHFFFAOYSA-N 369.234 2.629 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)CC1 1875367053 UBIHDJVRFAZOSL-LBPRGKRZSA-N 362.857 2.877 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2nc3c(s2)CC(C)(C)CC3)CC1 1875370196 FQRNGRIAJFMCMR-UHFFFAOYSA-N 361.511 2.699 0 50 FFAA Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cncc(S(C)(=O)=O)n2)cc1 1875369680 AWXIKXZLMFQZTP-RDTXWAMCSA-N 373.478 2.802 0 50 FFAA COC(=O)c1cc(OC)cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 2100545555 WJCKNFSZHYGXTQ-MHGIMSBQSA-N 374.481 2.673 0 50 FFAA CC[C@@H](Cc1ccccc1)S(=O)(=O)N1CCC(c2cnn(C)c2)CC1 2325803403 FGZXCCQRTVQUES-IBGZPJMESA-N 361.511 2.951 0 50 FFAA CCC[C@@H](C)C(=O)N[C@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325866974 GTXMAUYNAAMIFW-VUCRHFMTSA-N 351.535 2.697 0 50 FFAA C[C@H](CNC(=O)Cc1ccc2cccnc2c1)CNC(=O)CC1CCC1 2325867678 CBFFESWCCUPUCY-HNNXBMFYSA-N 353.466 2.836 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@]3(CCCC[C@H]3O)C2)cc1 2325888056 WRIUDXWLEFPPIJ-WIYYLYMNSA-N 356.466 2.646 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 1058353 MCCRNFXFYBTBBB-CYBMUJFWSA-N 350.415 2.927 0 50 FFAA CCc1ccc(O)c(NC(=S)NC(=O)COc2ccc(OC)cc2)c1 1183499 GMGPKVPCCVVOPR-UHFFFAOYSA-N 360.435 2.855 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc(OC)c(OC)cc3OC)C[C@H]21 2356150199 QPNRTYXPMRSJBN-AGKSTNPPSA-N 363.454 2.726 0 50 FFAA CC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 2947865 GWECEDFEXUCKGI-CQSZACIVSA-N 364.442 2.936 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 225454950 AQWZACKUIRTGQS-PRHODGIISA-N 357.193 2.714 0 50 FFAA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 114412110 HBBBEXZBQGNBRS-DGCLKSJQSA-N 370.375 2.624 0 50 FFAA Cc1nnc(SCCCNC(=O)[C@@]23CC[C@@](C)(OC2=O)C3(C)C)s1 55154321 UBEDKIAUHCSBGZ-CVEARBPZSA-N 369.512 2.567 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CCC[C@H]2O)nc1 67459091 WHSJAKUUILLPEI-DLBZAZTESA-N 371.485 2.547 0 50 FFAA COc1cc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc2c1OCO2 12613200 GVIBWUANZDREDJ-AWEZNQCLSA-N 360.454 2.695 0 50 FFAA Cc1ccccc1-n1cccc1CN1CCC2(CC1)C(=O)NCCCN2C 67559023 ADLGEKZNFRUKEW-UHFFFAOYSA-N 366.509 2.572 0 50 FFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 65385190 CODUJZBWBCQTCL-RISCZKNCSA-N 362.813 2.829 0 50 FFAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1 61721046 XBHOEJPBWUNQTC-OALUTQOASA-N 360.417 2.969 0 50 FFAA Cc1nnnn1CCc1nc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1 65370639 FCZIGKYXNRIGKN-UHFFFAOYSA-N 363.347 2.701 0 50 FFAA CC(C)Cc1nc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)no1 328607567 WLWHESUPBRKRGA-AWEZNQCLSA-N 361.515 2.869 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2Cc2c[nH]cn2)cc1 11818976 RAXYCERXWVCUMJ-GOSISDBHSA-N 350.426 2.507 0 50 FFAA COc1cc(C(=O)N2CCC3(CCNCC3)CC2)ccc1OC(F)F 252507409 WKPZGMOFNBSVET-UHFFFAOYSA-N 354.397 2.902 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2=O)cc1 77489046 BCPMUEDJUYVGQW-UHFFFAOYSA-N 374.444 2.870 0 50 FFAA CCCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 72457918 NEBKFGGBZKZDFF-NRFANRHFSA-N 373.545 2.508 0 50 FFAA C[C@H](COC1CCCC1)CS(=O)(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 328742138 JHEMULOJGGUMOJ-JFIYKMOQSA-N 369.531 2.691 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1Cc1cnc(N2CCCCC2)nc1 77451936 ICXMUSYKBUXTEI-LJQANCHMSA-N 371.529 2.834 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)no2)c1 12575585 TWSOUVWKIXIAKL-BETUJISGSA-N 358.394 2.706 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)c1ccc3cc[nH]c3n1)CC2 329260048 CSEUMKSJALWHOI-UHFFFAOYSA-N 351.406 2.821 0 50 FFAA CC[C@@H]1CN(Cc2cnc(COC)nc2)CCC(=O)N1Cc1ccccc1 71758857 LRELRQPXKPXVQA-LJQANCHMSA-N 368.481 2.636 0 50 FFAA COCCN(C)c1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 39532557 OFWYJLSKKAQFJF-UHFFFAOYSA-N 370.409 2.898 0 50 FFAA O=C(c1cccc2c1OCO2)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 365662078 SKSYTPAASDJJFI-HXUWFJFHSA-N 357.381 2.622 0 50 FFAA O=C(NC[C@@H](c1ccncc1)N1CCOCC1)c1cc(Cl)ccc1F 215399695 OXXHMLWJIYRAAQ-KRWDZBQOSA-N 363.820 2.677 0 50 FFAA CN1CCN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)CC1 72430286 WUIMRNSQIPSJSW-UHFFFAOYSA-N 353.401 2.613 0 50 FFAA O=C([C@H]1CCc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 216539058 BYDHZAMIHMBPHX-IBGZPJMESA-N 364.445 2.790 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)n1 219082991 CBDFPRNGDSPDPU-CYBMUJFWSA-N 372.473 2.784 0 50 FFAA CCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2 77353823 CBWZKAUHWMSCDM-UHFFFAOYSA-N 365.518 2.864 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=S)N2CCc3ccccc32)cc1 15952171 WKCNFVFYXDSETL-UHFFFAOYSA-N 361.492 2.744 0 50 FFAA O=C1CC2(CCN(C[C@@H]3CCNC3)CC2)CN1Cc1ccc(Cl)cc1 77354914 BJHSMMNEAIWYKH-QGZVFWFLSA-N 361.917 2.764 0 50 FFAA CC(C)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 17073525 ZZUOLGTVIVDMFF-ZDUSSCGKSA-N 355.529 2.945 0 50 FFAA C[C@@H](NC(=O)N1CCC[C@@H](CC(N)=O)C1)c1ccc(Br)cc1 175177958 GITBBQSBRMTERX-NEPJUHHUSA-N 368.275 2.807 0 50 FFAA CN1CCOc2ccc(NC(=O)Nc3cnn(Cc4ccccn4)c3)cc21 175103957 CPEGFZLNPXALSO-UHFFFAOYSA-N 364.409 2.799 0 50 FFAA Cc1ccn2c(F)c(C(=O)NCCc3nc(C)c4c(n3)CCCC4)nc2c1 426537381 BPMVLUCQULRCDJ-UHFFFAOYSA-N 367.428 2.732 0 50 FFAA CCN(C)C[C@@H]1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2C)C1 178044560 JVNRUIZTMISWMU-HNNXBMFYSA-N 360.458 2.757 0 50 FFAA Cc1nnc(SCC(=O)N2CCCC[C@H]2CCn2ccnc2)s1 223447672 AXPVPFCCSLAJNA-ZDUSSCGKSA-N 351.501 2.607 0 50 FFAA O=C(NC[C@@]1(O)CCCNC1)c1ccc(-c2ccc(O)c(Cl)c2)cc1 426722705 UQMSACLOTMCTOE-LJQANCHMSA-N 360.841 2.557 0 50 FFAA O=C1CCC2(CCN(Cc3ccoc3)CC2)CN1CCCn1ccnc1 91320597 IXUWUPZFBYQFQK-UHFFFAOYSA-N 356.470 2.771 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccc(N2CCOCC2)cc1 97514366 YATWLMHCFNQCGL-QGZVFWFLSA-N 366.461 2.894 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@@H](c2cc[nH]n2)C1 426496731 AANWEDHACVSSBI-CYBMUJFWSA-N 369.400 2.938 0 50 FFAA CC(=O)N1CCCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CC1 426438790 GDFFOGNJMUMZLE-UHFFFAOYSA-N 362.433 2.924 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 96136588 GRJGZWINPGQCJY-INIZCTEOSA-N 371.485 2.956 0 50 FFAA CCC(CC)CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96150011 WXUXEIQSSIYWIC-UHFFFAOYSA-N 350.463 2.524 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc2c(c1)CCCO2 426473031 YKIXIIHGNHBUHV-HNNXBMFYSA-N 350.418 2.795 0 50 FFAA O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@H](CO)Cc1ccsc1 97360066 ITQMPDUXUDKPAE-OAHLLOKOSA-N 369.490 2.943 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc(C(=O)O)cc2)C1 97732954 PKGUKPOWTWFPCY-SFHVURJKSA-N 352.434 2.913 0 50 FFAA Cc1ccc2nc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cn2c1 95521967 DIGJZGBSCPSKEB-INIZCTEOSA-N 362.389 2.550 0 50 FFAA CCc1nc(C)c(C(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)o1 97681797 OFEVQMXFOYSMBD-GFCCVEGCSA-N 352.818 2.677 0 50 FFAA CC(=O)N1CC2(CCN(C/C(C)=C/c3ccccc3)CC2)C[C@H]1C(=O)O 91914922 KAIWBUYJSDTJPY-BAILOTOSSA-N 356.466 2.878 0 50 FFAA O=C(c1ccncc1F)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95371919 UDXCMTXPCGJPRP-MAUKXSAKSA-N 365.452 2.925 0 50 FFAA CCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2C)C1 91664833 BJTQXIUMHMFOTM-AWEZNQCLSA-N 351.447 2.919 0 50 FFAA Cc1sc2ncnc(N3CCc4onc(C(=O)N(C)C)c4C3)c2c1C 95376216 XGNZXSOTYXNBHH-UHFFFAOYSA-N 357.439 2.561 0 50 FFAA COc1ccccc1NC(=O)CCN1CCCN(c2ccnc(C)c2)CC1 252502637 USDPHZNFKQXPDB-UHFFFAOYSA-N 368.481 2.940 0 50 FFAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CC[C@@H](Oc2cccc(F)c2)C1 181907987 QMUQVCGZGFRGED-QGZVFWFLSA-N 352.369 2.904 0 50 FFAA COc1cc(NC(=O)CCN2CCC[C@@H](c3nccn3C)C2)cc(OC)c1 252483769 FHZZZWYPOKANSO-OAHLLOKOSA-N 372.469 2.646 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 183118357 QLWZGKAFFMIRMP-SNVBAGLBSA-N 366.339 2.827 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1nn(CC)c2ccccc12 534647216 DUEGIYZJXOAVIZ-SFHVURJKSA-N 371.485 2.599 0 50 FFAA CC(C)n1nnnc1-c1ccccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 184642545 USYDPYFNIZFGBJ-AWEZNQCLSA-N 370.457 2.954 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC[C@@H](OCc3ccccn3)C2)c1C 65497700 VQNNAHFDSVSREM-GOSISDBHSA-N 371.485 2.535 0 50 FFAA Cc1ccc(F)c(C(=O)N2CCN([C@H]3CN4CCC3CC4)CC2)c1Cl 299768107 IWLLWZHEBFZOHA-INIZCTEOSA-N 365.880 2.640 0 50 FFAA Cc1cc(F)cc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1 299780919 ANRYWAGUGFGSSS-UHFFFAOYSA-N 356.445 2.763 0 50 FFAA O=C(Cc1c(F)cccc1Cl)NC1CCN(C(=O)N2CCCC2)CC1 299773009 BSNKEEUQPTZZSQ-UHFFFAOYSA-N 367.852 2.818 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C(C)(C)C)C1 584900203 DYRLVIGSWMWSJN-INIZCTEOSA-N 351.466 2.857 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)CCCn3cncn3)cn2)c1 952978269 QFCUUDVUXWNWKB-UHFFFAOYSA-N 353.382 2.893 0 50 FFAA O=C(CCc1cccnc1)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952973839 PKILOQPNZSZPQC-UHFFFAOYSA-N 351.410 2.835 0 50 FFAA CCc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565515395 ZGCXIUAZQPDHQY-ZBFHGGJFSA-N 374.485 2.976 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ncncc1Br 275327755 JSFKKAGBRJQCIW-AAEUAGOBSA-N 352.236 2.532 0 50 FFAA Cc1ccc([C@]2(C)NC(=O)N(Cc3ccn(-c4ccccc4F)n3)C2=O)o1 188199054 BPOCDZYQOWGWBU-IBGZPJMESA-N 368.368 2.880 0 50 FFAA O=C(CNc1ccccc1CN1CCOCC1)N1CCCc2ccccc21 193574715 SZTGDBZYRSQXAM-UHFFFAOYSA-N 365.477 2.910 0 50 FFAA Cc1ccn(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)c1 194401186 VLMRPPRKFOGFNS-OAHLLOKOSA-N 351.406 2.704 0 50 FFAA Cc1ccc2nc(CCNc3nccc(N4CCC[C@H](O)C4)n3)[nH]c2c1C 1529095868 XILGLXIYGUDERN-HNNXBMFYSA-N 366.469 2.585 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]2O)n[nH]1 1704298268 IUMVEOOOUNOPSD-CJNGLKHVSA-N 355.360 2.652 0 50 FFAA Nc1ccc(O)cc1C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704298648 ATWQSLIPCPJXPU-VLIAUNLRSA-N 363.417 2.510 0 50 FFAA Cn1cncc1CN(CCO)C(=O)c1cccc(-c2ccc(F)cc2)c1 1704339737 KJZHEPXPHDIICT-UHFFFAOYSA-N 353.397 2.861 0 50 FFAA Cc1cc(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c2cccc(C)c2n1 1704299193 OGAIFVCHWQFTBY-OWCLPIDISA-N 351.450 2.838 0 50 FFAA Cc1nonc1CC(=O)N1CCC[C@](CO)(CCCc2ccccc2)C1 12053948 DDJNCGQTLSVHRM-HXUWFJFHSA-N 357.454 2.545 0 50 FFAA Cn1c(CNC(=O)/C=C/c2cccs2)nnc1SCc1ccccn1 14999088 JJPJNJRXXPFBEU-BQYQJAHWSA-N 371.491 2.894 0 50 FFAA Cc1cc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(C)o1 15076318 QLSCJDCHHZMAET-UHFFFAOYSA-N 356.426 2.919 0 50 FFAA Cc1cccc2nc(C(=O)N3CCN(c4ccc(F)cn4)[C@H](C)C3)cn12 1857672599 HICGBZYJOADVQV-CQSZACIVSA-N 353.401 2.528 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccoc2)CC12CCN(C(=O)CC1=CCCC1)CC2 1857689545 GUBKWRPQPZHLNW-GOSISDBHSA-N 372.465 2.905 0 50 FFAA N=c1[nH]c2cc(C(=O)NCc3nc(Cc4cccs4)no3)ccc2s1 1857725319 PXWZJBKUTRNGTD-UHFFFAOYSA-N 371.447 2.674 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n2ncnc2n1 225396325 UTCYWUIPAFBRKJ-UHFFFAOYSA-N 358.210 2.540 0 50 FFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 328864689 NBCNBOHUSRSVNS-MNOVXSKESA-N 367.375 2.663 0 50 FFAA CN[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 133517469 KWWKIWHDPGTOSF-ZYHUDNBSSA-N 359.239 2.566 0 50 FFAA COc1ccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c(Br)c1 159342404 ITXZUFAFXDAKRJ-UHFFFAOYSA-N 374.198 2.890 0 50 FFAA C[C@H](C(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 266968005 VWGQTPZLHCOWFJ-UWVGGRQHSA-N 350.267 2.742 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]12 1704299334 OFGRJRPKGIUHCE-NVXWUHKLSA-N 372.387 2.504 0 50 FFAA CN1CCC[C@H]1c1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)n[nH]1 908335759 UFWNQHBRBQDFQU-RBUKOAKNSA-N 352.438 2.723 0 50 FFAA O=C(N[C@H]1CC=CCC1)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952890459 AQZOMCHWSWKCDH-KRWDZBQOSA-N 364.453 2.931 0 50 FFAA Cc1nc([C@H](C)NC(=O)N[C@@H]2Cc3n[nH]cc3[C@@H](C(F)(F)F)C2)[nH]c1C 1875278312 PMPOGCJUKYALPI-NHCYSSNCSA-N 370.379 2.771 0 50 FFAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)CN2CCc3sccc3C2)c1 1875253650 XCLCASBQDWQYJK-ZBJSNUHESA-N 366.490 2.720 0 50 FFAA CN1CC[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)C[C@H]2C1 1875259853 NCHFLDUSIIRHFV-CHWSQXEVSA-N 362.271 2.954 0 50 FFAA O=C(N=[S@]1(=O)CCC[C@@]2(CCCN2)C1)c1ccn(C2CCCC2)n1 1875394014 YDAJTDGBTAEVNN-XDHUDOTRSA-N 350.488 2.522 0 50 FFAA Cc1cccc(C)c1N1CCN(Cc2nnc([C@@H]3CCCOC3)o2)CC1 886082316 WUIIHWHJJDUIGT-QGZVFWFLSA-N 356.470 2.903 0 50 FFAA O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccc2cn[nH]c12 192230026 PICQTEVLGUOINX-SFHVURJKSA-N 364.449 2.584 0 50 FFAA CC(=O)Oc1ccc(/C=c2/sc3nc4c(C)c(C)ccc4n3c2=O)cc1 4457924 VRVMOSRZYOMVHG-LICLKQGHSA-N 364.426 2.999 0 50 FFAA Cc1ccc(Oc2ccc(CCN=c3[nH]c(=N)nc4[nH][nH]cc3-4)cc2)cc1 2325855977 XLZMJRGPSRDGKV-UHFFFAOYSA-N 360.421 2.894 0 50 FFAA O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnc2c(c1)CCNC2 2325856395 NTHQTYDAAAZFRQ-UHFFFAOYSA-N 360.421 2.642 0 50 FFAA O=C(NC[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)c1ccncc1 2325871208 BTLXQNIDDQVHQK-OAHLLOKOSA-N 360.417 2.522 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 752523 WTXZSPLQEKAFCB-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1140262 SKFBULTWSMTVQI-UHFFFAOYSA-N 362.407 2.541 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc(-c4ccccn4)nc3)C[C@H]21 2356149643 NOTCSJGXPVDQIW-NBQZKYEYSA-N 352.438 2.552 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1 2399408 GVQPHQPROOUANE-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc2c(s1)C1(CCNCC1)OCC2 2356167989 LCENRSUJLUHINN-NSHDSACASA-N 374.510 2.730 0 50 FFAA CC1(C)Cc2occc2[C@H](NCCCN2CCN(c3ncccn3)CC2)C1 133615064 IGCYUXHHXQPAPG-GOSISDBHSA-N 369.513 2.885 0 50 FFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CSc1ncccn1 55308603 HDNUFBXXIRPJBT-UHFFFAOYSA-N 357.414 2.757 0 50 FFAA CCNC(=O)N1CCC(NCc2cnc(-c3cccc(C)c3)nc2)CC1 55271432 RMNDCFRRWVNOND-UHFFFAOYSA-N 353.470 2.736 0 50 FFAA Cc1csc2ncnc(N3CCC[C@@H](Cn4cc(C(C)(C)O)nn4)C3)c12 63855549 RLYDELHLKLXCKA-CYBMUJFWSA-N 372.498 2.735 0 50 FFAA Cc1occc1C(=O)Nc1ccccc1C(=O)NCCN1CCCCC1=O 20271492 KPXYPCWEMBNBIO-UHFFFAOYSA-N 369.421 2.583 0 50 FFAA c1ccc2c(c1)CC(N1CCC(n3cc(CN4CCCC4)nn3)CC1)C2 23214243 OGQDCBFKWMEURA-UHFFFAOYSA-N 351.498 2.678 0 50 FFAA COc1cc2c(cc1[C@H]1CC(=O)Nc3c1c(C1CC1)nn3C)OCCCO2 65374508 YHWKMVIKNSEDBM-CYBMUJFWSA-N 369.421 2.942 0 50 FFAA C[C@@H](c1noc([C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1)c1c(F)cccc1F 350646068 NLYDSDARSOJXSX-NXEZZACHSA-N 359.336 2.743 0 50 FFAA CCn1cncc1CNC(=O)c1cc(Cn2c(C)nc3ccccc32)on1 67741984 SDPOJBVSOQERTK-UHFFFAOYSA-N 364.409 2.527 0 50 FFAA Cc1cccc(O[C@@H](C(=O)N2CCC3(CC2)CN(C)CCN3C)C(C)C)c1 67712809 NPTNEANRKJQLRS-HXUWFJFHSA-N 373.541 2.637 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c1 72428415 BXHQTZWZOURHIA-SFHVURJKSA-N 361.482 2.848 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)CCc3scnc3C)CC2=O)c1 77355346 GBJSJSLILXUENB-UHFFFAOYSA-N 357.479 2.876 0 50 FFAA COCc1cc(NCCc2nc(-c3ccccc3)no2)n2nccc2n1 72436571 JAXSAOQSDBWOKY-UHFFFAOYSA-N 350.382 2.580 0 50 FFAA COc1ccc(CC[C@H]2CCCCN2C(=O)CCn2cncn2)cc1OC 363665027 GHLGAVPQFTZJKY-QGZVFWFLSA-N 372.469 2.699 0 50 FFAA c1ccc(N2CCOCC2)c(CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 375412748 IMKDIHCNUAOAFS-KRWDZBQOSA-N 354.454 2.773 0 50 FFAA COc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1OC 72233826 OFUMMYODBHGCBE-STQMWFEESA-N 367.398 2.545 0 50 FFAA O=C(c1ccccc1F)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72119420 NBNQUPFLUQUCAA-UHFFFAOYSA-N 369.444 2.568 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@H](C)[C@@H]3CN)o2)cc1 156590918 GSPCEAKCWKZPJF-YOEHRIQHSA-N 357.454 2.869 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)C1(c2ccccc2)CC1 219237172 IVUXWGYQFBBPPY-RTBURBONSA-N 352.434 2.604 0 50 FFAA CCCc1nnc2sc(C[C@H]3CN(Cc4ccccc4)CCO3)nn12 71747663 RPPJLZYGKZYQHE-HNNXBMFYSA-N 357.483 2.582 0 50 FFAA CCN1C[C@]2(CCCN(S(=O)(=O)Cc3cccc(C)c3)C2)CCC1=O 77564971 JOKQKJRGYVABNL-IBGZPJMESA-N 364.511 2.549 0 50 FFAA Cc1nc(C)c(C)c(N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 72421390 NCYNLNQUZMNBRH-QGZVFWFLSA-N 369.517 2.510 0 50 FFAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)ccc1Cl 215526403 ARBMYZJSANZSRY-HNNXBMFYSA-N 350.890 2.957 0 50 FFAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCc2nc(-c3ccccn3)n[nH]2)C1 334068815 FOBZJDONFKSJSR-ORAYPTAESA-N 354.458 2.977 0 50 FFAA C[C@H](C1CCN(C(=O)c2cnc3ccccc3c2)CC1)N1CCOCC1 72479085 BQDWFGZNQIXOFG-MRXNPFEDSA-N 353.466 2.808 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1 48148110 CNINNICIJQBGRC-UHFFFAOYSA-N 369.450 2.534 0 50 FFAA Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)c2c(C(C)C)noc2n1 173652007 YHIKBEMDUCUGKL-UHFFFAOYSA-N 374.485 2.837 0 50 FFAA CCCc1cc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)n(C)n1 82083312 LCUCFEPFMQEOJW-OAHLLOKOSA-N 355.360 2.855 0 50 FFAA COCc1cn(C2CCN(C(=O)c3ccnc4ccc(C)cc34)CC2)nn1 48422240 DSTBCHPPSJXEFB-UHFFFAOYSA-N 365.437 2.758 0 50 FFAA Cc1nn(CC(=O)N[C@H](Cn2ccnc2)c2ccccc2)c(C)c1Cl 426409232 FKGUNIVROZSRLD-MRXNPFEDSA-N 357.845 2.908 0 50 FFAA CC(C)c1nnsc1CNC(=O)Nc1cccc(N2CCOC2=O)c1 426405206 XASMJTZOFDIFCK-UHFFFAOYSA-N 361.427 2.940 0 50 FFAA CNC(=O)c1ccc(-c2ccc(C(=O)NCc3nc(C(C)C)no3)cc2)o1 426479122 RSMONAKMFUGLRB-UHFFFAOYSA-N 368.393 2.743 0 50 FFAA CCC(=O)N1CC[C@H](NC(=O)c2ccc(N(C)c3ccccc3)nc2)C1 178128635 UWZTUEHDWBIXGD-INIZCTEOSA-N 352.438 2.590 0 50 FFAA Cc1cc(-n2cnnn2)cc(NC(=O)NCCCc2c(C)noc2C)c1C 426530764 HMYLDHKEGWREGK-UHFFFAOYSA-N 369.429 2.638 0 50 FFAA CC[C@H]1CCN(C(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)C1 426511627 IQZKTIXEPKQPDN-HNNXBMFYSA-N 368.433 2.661 0 50 FFAA Cn1c(=O)n(C)c2cc(NC(=O)N(CC3CCC3)C[C@H]3CCCO3)ccc21 96179889 JVZANKDETQJSKU-MRXNPFEDSA-N 372.469 2.690 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2ccccc2-n2cncn2)CC1 91487004 ZUZYVPTUUIDTSA-UHFFFAOYSA-N 350.426 2.504 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)NCCCn2ncc3ccccc32)C1 426534498 RVHPWGSSGSCSHM-INIZCTEOSA-N 355.486 2.695 0 50 FFAA Cc1nc2c(c(N3CCC[C@@H](CCC(N)=O)C3)n1)Cc1ccccc1OC2 96153293 BXTIPONJJVKBDM-HNNXBMFYSA-N 366.465 2.750 0 50 FFAA Cc1nn(CC(=O)N(C)Cc2cccc3ncccc23)c(=O)c2ccccc12 91617014 ZYACMQSALBGZJH-UHFFFAOYSA-N 372.428 2.912 0 50 FFAA N[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 237849201 DGCCYCLTRVASPM-ZDUSSCGKSA-N 362.227 2.810 0 50 FFAA COc1ccccc1CN(Cc1ccc(F)cc1)C(=O)CN1CCOC1=O 95499502 UPGWRWDJIPWRDA-UHFFFAOYSA-N 372.396 2.815 0 50 FFAA CC(=O)c1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 91575507 CUTLJVFNCLLSDF-IBGZPJMESA-N 360.479 2.815 0 50 FFAA CC1=C(C(=O)N2CCC[C@H](c3cccc(C(=O)O)c3)C2)SC2=NCCN21 95367304 ISUCGDGAPOPFQP-HNNXBMFYSA-N 371.462 2.741 0 50 FFAA CCCOc1ccc(Cl)cc1CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 91997417 WTEOCSSUANWHCT-CYBMUJFWSA-N 350.846 2.756 0 50 FFAA Cc1nccn1CC1(CNC(=O)Nc2ccc(-n3cccn3)cc2)CC1 243892782 ALEFKIRWWJVBQG-UHFFFAOYSA-N 350.426 2.979 0 50 FFAA COCc1nnc(NC(=O)COc2cccc3c2ccn3CC(C)C)[nH]1 252491700 LRBREVITSBCPJE-UHFFFAOYSA-N 357.414 2.579 0 50 FFAA C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C(F)F)CC2(CCOCC2)O1 296744399 LYLOICSTJSXOGA-ZFWWWQNUSA-N 354.397 2.972 0 50 FFAA Cc1c([C@H](NCC(=O)N2CCC(C(N)=O)CC2)C(C)C)oc2ccccc12 183272145 LGTPEKWNJSIQKW-LJQANCHMSA-N 371.481 2.752 0 50 FFAA Cc1cc(C)c(C(=O)Nc2ccc3c(c2)ncn3CCCN(C)C)c(O)n1 252509360 YMCAIILNHINLSX-UHFFFAOYSA-N 367.453 2.958 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCC(=O)N3C)on1 534590213 BUDROPGWCGBTJB-CQSZACIVSA-N 356.382 2.707 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3ncnc4sccc34)[C@H](O)C2)cs1 299761896 BHHHUNLECZVOAS-ZIAGYGMSSA-N 361.496 2.504 0 50 FFAA CC(C)CN1CCN(C(=O)Nc2cccc(-n3cccn3)c2)[C@@H](C)C1=O 299783558 ZYXQUOHMEMEYLT-HNNXBMFYSA-N 355.442 2.593 0 50 FFAA CCCC[C@@H](NS(=O)(=O)N1CCC(COC)CC1)c1cccnc1 822830923 QIJADGFSDLNTML-QGZVFWFLSA-N 355.504 2.506 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCCN(Cc2cccs2)C1 827849482 LVNPJFKUJFNFKM-HNNXBMFYSA-N 358.463 2.800 0 50 FFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cccc2c1CCC2=O 952971853 MTWXBEAGTQBNSF-CQSZACIVSA-N 354.450 2.679 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)cc(C(C)(C)C)c1O 1565530138 GOVXIVVDSPTABG-IERDGZPVSA-N 363.498 2.945 0 50 FFAA C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 272190748 BJDOGKCFZRZMRP-FUHWJXTLSA-N 359.514 2.566 0 50 FFAA COC[C@@H](Cc1ccccc1)NCc1cccc(N2CCCS2(=O)=O)c1 185297583 SXBDJYOCAANOGT-LJQANCHMSA-N 374.506 2.574 0 50 FFAA CCc1ccc(C(=O)Nc2nnc(SCC(=O)N(C)C)s2)s1 1506406092 PVPFQWLORGVRFT-UHFFFAOYSA-N 356.498 2.595 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H]1Cc2ccccc2CN1C 1506408199 VPORZTZTBIDBPQ-SFHVURJKSA-N 374.506 2.647 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(Cc3c(C)n[nH]c3C)CC[C@@H]21 216949738 UFDBAHCODPRJBD-WBVHZDCISA-N 350.532 2.593 0 50 FFAA CC(C)c1ccc(C#N)c(N2CC[C@H]3[C@H](CCC(=O)N3CCCCO)C2)n1 222398923 ULWAXBVCVSZVRK-MJGOQNOKSA-N 370.497 2.666 0 50 FFAA C[C@@H](C(=O)N1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1)c1ccccc1 1529144335 YCXAVAGWSODTKB-YLJYHZDGSA-N 372.509 2.792 0 50 FFAA CCn1ccc(CN2CCCN(C(=O)c3ccc4scnc4c3)CC2)n1 1772807965 XDKSLPAGXQGBPX-UHFFFAOYSA-N 369.494 2.861 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCC[C@]3(CC2)CNC(=O)O3)o1 1772712558 UPOPJQKUCACBGA-IBGZPJMESA-N 372.425 2.994 0 50 FFAA CC(C)N1C[C@@H](CN2CCCN(Cc3ccccc3F)CC2)CCC1=O 1772809273 RGPFJUDWPKYQJC-GOSISDBHSA-N 361.505 2.980 0 50 FFAA COc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)c1 5111226 GTNJAAYBUJWXJI-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA CSc1nnc(CNS(=O)(=O)c2ccccc2)n1-c1ccccc1C 12030096 ZAKFPFZIFCHBHW-UHFFFAOYSA-N 374.491 2.776 0 50 FFAA CCCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1 12298216 PXRHIGHQHVTHMU-HXUWFJFHSA-N 359.470 2.629 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)Nc3ccccc3)CC2=O)cc1 12302874 LFXLPRLGHGJRAG-KRWDZBQOSA-N 353.422 2.660 0 50 FFAA C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 12373953 XKMBAJLRBKRPDS-UXBLZVDNSA-N 356.879 2.704 0 50 FFAA COc1ccc(-c2cnnc(NCc3ccc(-n4cncn4)cc3)n2)cc1 12575867 GWAGNQRXVGNEDR-UHFFFAOYSA-N 359.393 2.740 0 50 FFAA CN(c1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1cccs1 13494677 QJHSBJVICVDYQS-UHFFFAOYSA-N 350.465 2.809 0 50 FFAA O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(F)c(F)c1 16648289 PDAFIILJDKOTNV-KRWDZBQOSA-N 360.360 2.721 0 50 FFAA CC[C@H](C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1)n1cccn1 1857673894 NFBIAJSGFOFFOC-LJQANCHMSA-N 363.465 2.862 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCOC2(CCNCC2)C1 1857709056 BKBDEHSBROALRT-IBGZPJMESA-N 358.461 2.744 0 50 FFAA CCn1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n1 1857720120 FOJNXKMKCCXECL-XYJFISCASA-N 374.872 2.501 0 50 FFAA CCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 213103669 FHWUAIPYWLCJIB-SJORKVTESA-N 369.469 2.580 0 50 FFAA Cc1ccccc1[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)C1 408388778 XBYAXDLWDVFSCQ-QWHCGFSZSA-N 353.875 2.949 0 50 FFAA O=C(NC[C@@H](NC(=O)c1cscn1)c1ccccc1)c1cscn1 225485512 MPXMNIYYJBMYRA-GFCCVEGCSA-N 358.448 2.501 0 50 FFAA O=C(O)CN(C(=O)c1cc2c(F)cc(Br)cc2[nH]1)C1CC1 238086445 PGAFQPQNWGEMGZ-UHFFFAOYSA-N 355.163 2.759 0 50 FFAA COc1cccc([C@H]2CN(Cc3csc(C)n3)C[C@@H]2C(=O)O)c1OC 247976100 VELYDXFDNDQSKI-CABCVRRESA-N 362.451 2.769 0 50 FFAA Cc1cc2ncc(C(=O)N3C[C@H](C)OC[C@H]3c3ccccc3)c(C)n2n1 266369964 UOPFYJONROBRPI-KSSFIOAISA-N 350.422 2.948 0 50 FFAA CC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(-c3csc(C)n3)cc2)CC1 267374131 FFODNHJJOFFLOP-CYBMUJFWSA-N 373.478 2.577 0 50 FFAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC1CC(OCc3ccccc3)C1)C2 903114492 BSVSFVKKRUXMGR-JZHHSBMOSA-N 358.526 2.804 0 50 FFAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 839644167 VJVIJKAKKXFQHF-FQEVSTJZSA-N 366.396 2.505 0 50 FFAA O=C(O)CC1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 846268117 HROOSDNJPNUNMU-CQSZACIVSA-N 360.223 2.808 0 50 FFAA C[C@@H](NC(=O)CN1C(=O)CC2(CCC2)CC1=O)c1cc2ccccc2o1 1875304393 JFPCFBRQMXROCN-CYBMUJFWSA-N 354.406 2.929 0 50 FFAA COC(=O)CC1CC2(C1)CN(C(=O)c1c(OC)cnc3ccccc13)C2 1875308720 TXYHEQHKTJHVOV-UHFFFAOYSA-N 354.406 2.659 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC4(CCN4Cc4ccccc4)C3)n[nH]c21 1875395014 GOKQHPMRNVRVQV-CABCVRRESA-N 366.465 2.532 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1[nH]c2ccc(F)cc2c1Cl 887024092 OYNZTUJWYLOHFO-CHWSQXEVSA-N 352.793 2.620 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1nccc2ccsc12 888100186 UIKMWYBPYHUUMR-INIZCTEOSA-N 365.458 2.916 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccccc3N3CCOCC3)C[C@H]2C1 2100483237 CZKVURMJHCSYCJ-QGFMHUBQSA-N 371.525 2.714 0 50 FFAA CC(C)[C@@H](N)N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 1857800120 AWWHMJDUTUSARV-CMPLNLGQSA-N 356.656 2.782 0 50 FFAA CN(C)CCC1(C)CN(C(=O)CCCN2C(=O)CCc3ccccc32)C1 2325802516 LVOFOWWGPRJUEI-UHFFFAOYSA-N 357.498 2.546 0 50 FFAA Cc1ccccc1CN(C)CCNC(=O)[C@H]1CC(=O)Nc2ccccc21 2325867037 IPICETPWPHNKCT-SFHVURJKSA-N 351.450 2.669 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)c(F)cc2O)C1 2325889430 QCIJXOPJWZRHRE-SECBINFHSA-N 360.307 2.913 0 50 FFAA CCOc1ccc(N(C#N)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 641618 FXBYEZNEDVRKIZ-UHFFFAOYSA-N 359.407 2.720 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2F)c(C)c1 738229 AJACEQKZPUSTFM-UHFFFAOYSA-N 350.415 2.668 0 50 FFAA COc1ccccc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 808662 DFPGCVDNJBLGFY-KRWDZBQOSA-N 352.390 2.955 0 50 FFAA O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1C1CCCCC1 946360 MCDYXPJGMVOXGI-UHFFFAOYSA-N 373.884 2.961 0 50 FFAA CCc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1 1127993 MJLMXVNBTFXIJV-UHFFFAOYSA-N 368.405 2.932 0 50 FFAA CN(c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 1131025 GJXBTHXZDRKPQS-UHFFFAOYSA-N 352.843 2.666 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccc(F)c3)C1)CC2 2356137938 BBWGPXVXCLAVOL-OAQYLSRUSA-N 368.456 2.731 0 50 FFAA Cc1cnnc(-c2ccc(C(=O)NC[C@@H](O)c3cccc(O)c3)cc2)c1C 2356168970 QNXGQZRULAKVQX-LJQANCHMSA-N 363.417 2.929 0 50 FFAA Cc1ocnc1C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 112678816 TYVRIFKDLARXNS-LLVKDONJSA-N 373.438 2.614 0 50 FFAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1F)CCO2 55053302 WDKWHFJZLIWNGV-OAQYLSRUSA-N 358.457 2.989 0 50 FFAA Cc1nonc1CN(C)C(=O)c1cccc(NCc2cccnc2)c1C 55358982 XSPRKBPCURWLDC-UHFFFAOYSA-N 351.410 2.966 0 50 FFAA CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 247021379 MZLMKVYEFKKRHS-GVDBMIGSSA-N 374.529 2.814 0 50 FFAA CCNCCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C 22056118 LIZNIAKSBJKPQC-GDNBJRDFSA-N 370.428 2.603 0 50 FFAA in-vitro COc1nc2c(cc1C(=O)N1CCO[C@H](c3ccc(F)cc3)C1)CCC2 67754904 RSXCMLMGJAPKKH-SFHVURJKSA-N 356.397 2.932 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)nn(C)c1=O 67856735 SOBFWCIEDCAJJI-MRXNPFEDSA-N 351.454 2.530 0 50 FFAA CS(=O)(=O)Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1F 124460170 HDLSUIRFXBHXMU-KRWDZBQOSA-N 363.410 2.623 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1Cc2cc(Cl)ccc2N1 217753351 NJAZQCTWQJRRNP-LJQANCHMSA-N 370.884 2.852 0 50 FFAA NC(=O)c1csc(C(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 124793032 WXDIPDSIAPYXAN-ZDUSSCGKSA-N 356.407 2.827 0 50 FFAA Fc1ccc2[nH]c(CNc3nc(C4CC4)nc4c3CCNCC4)nc2c1 72424883 ZLGZBHFOCMRECR-UHFFFAOYSA-N 352.417 2.670 0 50 FFAA CCCCc1nc(CN2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)no1 328628842 HQNNWYBUDBUXKG-OAHLLOKOSA-N 359.474 2.838 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c(O)c1 77469813 TVNPTIVXLAWXCX-OAQYLSRUSA-N 356.466 2.955 0 50 FFAA CCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)CC1 72463553 UDGBVTNXRFAAPY-FQEVSTJZSA-N 368.525 2.642 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(F)c2F)n1 12473554 NGZPIDCXSDQGHG-UHFFFAOYSA-N 362.336 2.538 0 50 FFAA COc1ccc(CC(=O)NCCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 219168403 LLLZNMHTSIKBLC-UHFFFAOYSA-N 371.462 2.511 0 50 FFAA Cc1cnc(C)c(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1 72419314 GQWLONRTIAFSAH-UHFFFAOYSA-N 357.458 2.668 0 50 FFAA O=C(Cc1ncccc1F)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 376439293 BVVXNWCLOIKIEV-OAHLLOKOSA-N 365.412 2.955 0 50 FFAA CO[C@H](C)c1noc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 261778423 PGUMPWHCBQIEQC-HIFRSBDPSA-N 362.499 2.983 0 50 FFAA COc1cc(CNC(=O)c2ccc(C(=O)N(C)C)cc2)c2ccccc2n1 172769030 NHUZTIMMKZBYCR-UHFFFAOYSA-N 363.417 2.875 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2cccc(F)c2)C1 72419928 NFWXWPNIPMOEPC-KRWDZBQOSA-N 357.477 2.930 0 50 FFAA C[C@H](O)[C@@H]1CN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)CCO1 333829505 SOUDGTVCHOEYAW-CXOVXGEYSA-N 351.472 2.660 0 50 FFAA COCCn1cc(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cn1 377675231 FZFYEHOIMYABFV-GOSISDBHSA-N 366.469 2.694 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)ccc1-c1ccccc1 237709984 DPUJAINLURFTAQ-MRXNPFEDSA-N 356.422 2.788 0 50 FFAA NC(=O)c1csc(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 129552178 HCAHYKZMVUUPLO-UHFFFAOYSA-N 363.508 2.551 0 50 FFAA O=C(O)CN(C(=O)c1cnc(-c2ccsc2)s1)C1CCOCC1 238114928 OZRHTXPUWSLSEN-UHFFFAOYSA-N 352.437 2.577 0 50 FFAA Cc1cc(CN2CCC[C@]3(CO)CN(Cc4[nH]cnc4C)CC[C@@H]23)oc1C 72125556 SSOYLJWLXOFDSX-NHCUHLMSSA-N 372.513 2.777 0 50 FFAA COCCN(C)c1ccc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)cn1 242389452 ZXHHVLTYOQGLEY-SFHVURJKSA-N 372.488 2.919 0 50 FFAA CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccccc3)C[C@@]23C=C[C@H]1O3 226705381 NTGQCMRXASLWIR-MQWXCBPRSA-N 355.434 2.729 0 50 FFAA CSc1ncc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cn1 82136886 PXRIUHJOKMBBEX-CQSZACIVSA-N 357.483 2.825 0 50 FFAA CCOc1ccc(NC(=O)N(C)C[C@@H]2CC(=O)N(C)C2)cc1-n1cccc1 426661351 QBGKEMRKUQEUSJ-OAHLLOKOSA-N 370.453 2.818 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(Cc3ccccc3OCCO)CC2=O)cc1 82116390 JNMZMHMFCLZYQH-QGZVFWFLSA-N 354.450 2.603 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)ccc1S(C)(=O)=O 498583071 IHJRWAOUZSDQMK-GJZGRUSLSA-N 352.456 2.574 0 50 FFAA O=C(O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 226087308 FVOIBGCFCVWZLP-UHFFFAOYSA-N 352.239 2.620 0 50 FFAA CC1(C)CN(C(=O)c2cc3c(O)ncnc3cn2)Cc2ccccc2O1 290176797 QNJBGHWRYRZANS-UHFFFAOYSA-N 350.378 2.544 0 50 FFAA O=C(c1nc2ccccn2c1F)N1CCc2[nH]nc(-c3ccco3)c2C1 23191485 NQYFGSQTQZEPBS-UHFFFAOYSA-N 351.341 2.655 0 50 FFAA CCOC(=O)c1cccnc1-c1ccc(C(=O)N[C@H]2CCCN(C)C2)cc1 426519001 QRNKPGRTDVXDEN-KRWDZBQOSA-N 367.449 2.749 0 50 FFAA C[C@H](C(=O)N1CCC(c2nccn2C)CC1)N1CCc2ccccc2C1 91575335 DFZIWTWWYKNFSP-MRXNPFEDSA-N 352.482 2.573 0 50 FFAA Cc1cc(C)n(CCNC(=O)N2CCC([C@@H](O)c3cccs3)CC2)n1 426522873 KYLSEAMGXYZBEP-QGZVFWFLSA-N 362.499 2.717 0 50 FFAA Nc1cc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)ncn1 95385070 VCJVYDUKJPKWFT-UHFFFAOYSA-N 365.481 2.511 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)NC[C@H]3COc4ccccc4C3)nn2c1 91270272 QCNKBRNIGUKWLZ-LBPRGKRZSA-N 356.813 2.672 0 50 FFAA Cn1cccc1-c1cc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)n[nH]1 91724697 PYKTUGZAJKFYGZ-IBGZPJMESA-N 363.465 2.982 0 50 FFAA O=C(C1CCN(C2CCCCC2)CC1)N(CCO)Cc1nccs1 97475587 FDYZAICFYKKBSZ-UHFFFAOYSA-N 351.516 2.509 0 50 FFAA Cc1c(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c2cccc3c2n1CCC3 91974036 SJPCZBOZJGSCRT-INIZCTEOSA-N 365.477 2.566 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)N1CCN(CCO)CC1 96163133 DLUBEOBZGYUQMF-UHFFFAOYSA-N 371.437 2.629 0 50 FFAA Cc1nc2ccc(-n3ncnc3[C@H]3CSC(C)(C)C(=O)N3)cc2s1 91829778 RHMKZFUWOLABID-GFCCVEGCSA-N 359.480 2.868 0 50 FFAA O=C(c1cscn1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91548793 FGPGLDGAWBKEHZ-HNNXBMFYSA-N 353.451 2.803 0 50 FFAA O=C(NCCSC1CCCCC1)[C@H](c1cccnc1)N1CCOCC1 95354681 PIVGPTGIEKOHBN-SFHVURJKSA-N 363.527 2.637 0 50 FFAA Cn1ccnc1CN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91526699 WSZPRHHOQCTCKW-VMPITWQZSA-N 364.493 2.948 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c(OC)c1 95366077 VCCMKJLZDLRAJA-LJQANCHMSA-N 371.433 2.813 0 50 FFAA Cn1ccc(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1=O 180548711 GTZMFUUBMVYZPM-UHFFFAOYSA-N 362.311 2.842 0 50 FFAA COc1ccccc1CN[C@H]1CC[C@@H](n2cc(C(=O)NC(C)C)nn2)CC1 244773998 PKJLNTMNYBQBHM-CALCHBBNSA-N 371.485 2.698 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cccc(OC)c2C)[C@H]2C[C@@H](O)C2)cn1 244773778 PGFYUMFMKZWAKA-ZRGWGRIASA-N 356.422 2.649 0 50 FFAA CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cc(C)ccn1 299767665 JGSJCWMDFDQFQE-MRXNPFEDSA-N 361.467 2.667 0 50 FFAA O=C(Nc1ccccc1Oc1ccc(F)cc1)N1CCC(O)(CO)CC1 299773519 DSYPMJZRXQOBAQ-UHFFFAOYSA-N 360.385 2.969 0 50 FFAA O=C(CCN1CCOCC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 299783309 YYFRBJYHGNMQCV-IBGZPJMESA-N 359.857 2.663 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)N(Cc1cccnc1)Cc1ccsc1 584900823 ATCQMPFPUQFZIZ-ROUUACIJSA-N 374.510 2.574 0 50 FFAA O=C(c1ccncc1)N1CCC(NCC[C@H]2COc3ccccc3O2)CC1 952985570 CJTBPAYAINYCIQ-SFHVURJKSA-N 367.449 2.506 0 50 FFAA c1ccc(-c2nc(CNC[C@H](c3ccccn3)N3CCOCC3)co2)cc1 952974957 XJZLDWVMIWSGKY-HXUWFJFHSA-N 364.449 2.900 0 50 FFAA CC(C)Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)on1 1565529615 AWDOHUJXCWGEAZ-QAPCUYQASA-N 361.486 2.589 0 50 FFAA CCc1nc(CN2C[C@H]3c4ccc(OC)cc4OC[C@@]3(C(=O)O)C2)cs1 1565525136 IZCUARHIXDRHSU-KXBFYZLASA-N 374.462 2.777 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)C1CCN(C2CCCC2)CC1 1565511454 LHRKRMUMXLDLTG-PMACEKPBSA-N 364.530 2.731 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)NCc1ccccc1 1565507314 MOMLLVINOQGFCW-MJGOQNOKSA-N 364.449 2.528 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)cc2c1 1565511290 WKZGUZSRTNJLMX-WMZOPIPTSA-N 367.405 2.538 0 50 FFAA O=S1(=O)CCN(c2ncnc3sc4c(c23)CCC4)Cc2ccccc21 274734186 CSASVHSIQOSPAK-UHFFFAOYSA-N 371.487 2.974 0 50 FFAA CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192642753 MZVNCAKJRSVFJM-UHFFFAOYSA-N 353.484 2.572 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)ccc1C 193774970 YRSYPNZJYLNYPR-OAHLLOKOSA-N 357.435 2.897 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cn1 194797275 FFEGXRFFFBVWFP-UHFFFAOYSA-N 350.444 2.672 0 50 FFAA CCCC[C@H](C(=O)Nc1ccc(Cl)c(OC)c1)N1CCCS1(=O)=O 194898521 XVEQIQYUUCSHEI-CQSZACIVSA-N 374.890 2.881 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1ccc(CSc2nc[nH]n2)o1 1506402298 PYOXBRQJSMGGNJ-UHFFFAOYSA-N 363.468 2.770 0 50 FFAA Cc1ccc(N2CCC(NC3CCS(=O)(=O)CC3)CC2)cc1Cl 1506403746 YWGKAGUZZLRJKF-UHFFFAOYSA-N 356.919 2.784 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCC(=O)c1ccc(OC)cc1)C2 216551181 PXEIDJSUQARTFN-SJORKVTESA-N 372.465 2.518 0 50 FFAA O=C1CC[C@@H]2CN(c3nccc4ccccc34)CC[C@@H]2N1CCCCO 216985841 YVEFWDPKOKWHIP-MJGOQNOKSA-N 353.466 2.825 0 50 FFAA CC(C)n1nccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704349747 VKGLHIFHYYJUBE-VQIMIIECSA-N 364.449 3.000 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]12 1704343574 JJTZXVPYGZDAEQ-NVXWUHKLSA-N 356.388 2.624 0 50 FFAA O=C(NCC1=CCCCC1)[C@H]1CCc2sc(N3CCOCC3)nc2C1 1772805814 SUURCCPBPCZVDM-HNNXBMFYSA-N 361.511 2.701 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3ccc4c(c3)ncn4CCO)c2n1 1772809838 FPXNZCRQQBGEQT-UHFFFAOYSA-N 373.420 2.541 0 50 FFAA O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5051105 BLFPUHXCVANUTH-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CCc1n[nH]c(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)c1C 11935366 LDHWQYOIUITSCW-HXUWFJFHSA-N 360.502 2.781 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)CSC)CC2)cc1 12430830 YVOSOVUSXJGHFJ-UHFFFAOYSA-N 350.528 2.771 0 50 FFAA CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1O[C@H](C)C(=O)O 12629255 PZYNRPQLKSKNSU-PGEKAQRJSA-N 351.380 2.603 0 50 FFAA C[C@@]12CC3CC(C(=O)N4CCN(C(=O)[C@@H]5CCCO5)CC4)(C1)C[C@](C)(C3)C2 13736982 VPGZKBYODKYUMV-VXIGKDHCSA-N 374.525 2.833 0 50 FFAA Cc1[nH]cnc1CN1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2)C1 14745110 LYMMQUNGBAVRNU-IBGZPJMESA-N 370.497 2.604 0 50 FFAA Cc1ccc(CCNC(=O)c2cn(Cc3c(F)cccc3F)nn2)cc1 14959305 JCUGZAZWWYOABM-UHFFFAOYSA-N 356.376 2.886 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)CCN3CCC[C@H](C)C3)CC2)cc1 19227138 LYXUQMXDEQHFIN-KRWDZBQOSA-N 357.498 2.660 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccncc2)C[C@@H]1CCO 19758051 RVDPHGVKEIBUKK-FQEVSTJZSA-N 355.482 2.549 0 50 FFAA Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](C)C2 19899770 HQMIWLXGUWTSCH-OAHLLOKOSA-N 350.466 2.872 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccccc3)CC3(CO)CC3)n[nH]c21 1857529408 OWKXUNCHYHQIGI-CABCVRRESA-N 369.465 2.847 0 50 FFAA COc1ccc(C2(CNC(=O)[C@H]3CC[C@@H](OC)[C@H](N)C3)CCCC2)cc1 1857722135 CRZHTISOZQQLBF-KFKAGJAMSA-N 360.498 2.766 0 50 FFAA COCCC[C@@]1(CO)CN(Cc2cc(C3CCCCC3)no2)CC[C@H]1O 1857737747 AXGPGBCNQAKKKL-UXHICEINSA-N 366.502 2.694 0 50 FFAA CC[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CCN1C[C@@H](C)O 240454717 FYGZGYCKOQJJHI-WFRMJPKYSA-N 352.494 2.599 0 50 FFAA CC(C)(C)c1ccc(OC[C@H](O)CN2CCOC3(CCOCC3)C2)cc1 135641798 HEHNKDNDSZTCAC-GOSISDBHSA-N 363.498 2.605 0 50 FFAA Cc1cccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c1C 19881451 KADMOYNRMBJCLS-CQSZACIVSA-N 356.403 2.821 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1F)N1CCN2CCCC[C@H]2C1 160447423 CXFXDZNAJZZBAP-INIZCTEOSA-N 357.433 2.773 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1cccnc1 1142974007 AHOMUZSHHSNNBV-UHFFFAOYSA-N 350.378 2.626 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3ccccc3)O[C@H](C)C2)C1 1875379137 NERAUVDUYGVAEO-NEWSRXKRSA-N 356.466 2.790 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cccc3cc[nH]c23)C1 886034111 PLEWIGRHGDXQIC-DOTOQJQBSA-N 351.406 2.871 0 50 FFAA COc1ccccc1[C@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 886075144 COHCHXLUQIJTAA-HNNXBMFYSA-N 355.438 2.942 0 50 FFAA C[C@@H](NCc1ccnc(N2CCN(C)CC2)n1)c1cccc2ncccc12 2325773831 JPLYWWZFUBYVPY-MRXNPFEDSA-N 362.481 2.627 0 50 FFAA CSCCc1nc(-c2c[nH]c3ccc(F)cc23)n(-c2ncnn2C)n1 2325862654 BNGLQDJWUQNNNC-UHFFFAOYSA-N 357.418 2.589 0 50 FFAA CC(C)CCC(=O)NC[C@@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867614 AFYAGXYPBNECHV-CSNJMZFVSA-N 351.535 2.554 0 50 FFAA Cc1ccoc1-c1nc([C@@H](O)Cn2cncn2)n([C@H]2CCC(C)(C)C2)n1 2325876145 LOULBQCRIMZGNL-KBPBESRZSA-N 356.430 2.923 0 50 FFAA O=C(NCc1ccc(O)c(Br)c1)NC[C@H](O)c1ccsc1 126256472 YZAKDXXQDUQVFP-ZDUSSCGKSA-N 371.256 2.749 0 50 FFAA CCn1nc(C(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)ccc1=O 151822923 MBDMTAGZTXICMU-UHFFFAOYSA-N 351.410 2.626 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@@H]1O 2356145514 DRYIWRWQVOGENK-FXAWDEMLSA-N 373.453 2.523 0 50 FFAA COc1cc(N/N=C(\C)c2ccc(I)cc2)ncn1 4947132 IMQPBOCLKHMCCL-RQZCQDPDSA-N 368.178 2.926 0 50 FFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ncccn2)CC1 6520640 IGUAKTRFUOIRTR-INIZCTEOSA-N 362.433 2.746 0 50 FFAA CCC[C@H](C)c1nnc(NC(=O)c2cccnc2N2CCOCC2)s1 55358331 AQFXJLYAAHTEAU-LBPRGKRZSA-N 361.471 2.926 0 50 FFAA CNC(=O)c1cccc(NC(=O)NCc2nnc(C(C)(C)C)s2)c1C 467442415 FSKZHWATYJRCPQ-UHFFFAOYSA-N 361.471 2.825 0 50 FFAA CN(c1ccc(Cl)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1)S(C)(=O)=O 106683662 CIKNLGLULJLUTD-PGUXBMHVSA-N 356.875 2.654 0 50 FFAA COc1cc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)ccc1F 23361046 ZFJQHMDQSTTZKB-KRWDZBQOSA-N 364.486 2.965 0 50 FFAA CC(=O)NCCc1nc(CCc2ccccc2)nn1-c1ccc(F)cc1 65454989 CXMYVPBLLODROY-UHFFFAOYSA-N 352.413 2.870 0 50 FFAA CCN1CCC(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 20206613 YMVYAUUCOHNRLG-MRXNPFEDSA-N 369.431 2.880 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)c2coc(COc3ccc(F)cc3)n2)[nH]n1 67588870 WNCKEQNDPIGWPN-NSHDSACASA-N 358.373 2.785 0 50 FFAA CC(=O)c1ccn(CC(=O)Nc2c(C)cnn2Cc2ccccc2Cl)n1 23379529 YLEYNBMMNMTGHA-UHFFFAOYSA-N 371.828 2.931 0 50 FFAA CCc1noc(CN(C)C(=O)c2coc(COc3ccc(F)cc3)n2)n1 67678535 GEIWNOFOLFGTBI-UHFFFAOYSA-N 360.345 2.610 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccccc2Cn2cccn2)C1)N1CCCC1 67677012 YXPVNHHCYVRSAP-HXUWFJFHSA-N 352.482 2.766 0 50 FFAA CN(Cc1nccs1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67774602 ABHFWKGCECCCMQ-FQEVSTJZSA-N 373.522 2.561 0 50 FFAA CCOc1nc(C)ccc1C(=O)NCC(=O)Nc1cccc2cccnc12 252489316 JOCFFDQAWYEKAW-UHFFFAOYSA-N 364.405 2.705 0 50 FFAA CCOC(=O)[C@H]1C(=O)N(C(=O)c2ccc(OC)cc2)C[C@@H]1c1ccccc1 1230460 VOXWPPFAFMCDST-QZTJIDSGSA-N 367.401 2.641 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2CCCC[C@@H]12 229732323 GDJQCFPNUVCIKM-FHLIZLRMSA-N 364.511 2.978 0 50 FFAA CCn1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)ccc1=O 121003699 QCDAQKUUVODTBS-UHFFFAOYSA-N 351.362 2.710 0 50 FFAA Cn1ncc(CN2CCC(Oc3ccccc3)(C(=O)O)CC2)c1C1CC1 72430876 GOOSVAJFMLGNFA-UHFFFAOYSA-N 355.438 2.796 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)CC1 122245635 MMNXZEZOPOXASA-KSZLIROESA-N 371.525 2.977 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCO[C@@H](c2ccco2)C1 122639088 HLZLHWQKUSGJDS-GOSISDBHSA-N 370.384 2.888 0 50 FFAA Cc1cc(O)ncc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 328629455 IGELPYYGVYUBTG-HNNXBMFYSA-N 372.494 2.679 0 50 FFAA Cc1cccc2cc(CO)c(N3CCN(C4CCCC4)[C@H](CCO)C3)nc12 72425577 FHYYTMMKFKMMND-HXUWFJFHSA-N 369.509 2.851 0 50 FFAA Cc1c(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cnn1-c1ccccn1 155989007 CZQFSVQFCQIXBZ-KRWDZBQOSA-N 364.405 2.996 0 50 FFAA CCCN(C(=O)c1cnc(C)[nH]1)C1CCN(c2cc(C)nc(C)n2)CC1 332183809 ZPACCFABFJTFKH-UHFFFAOYSA-N 356.474 2.646 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72149684 JCRNVNVMPHOSQS-HXUWFJFHSA-N 373.428 2.991 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(OCc2ccccc2)cc1 261591210 LTWNVUHOFFMVAX-KRWDZBQOSA-N 355.390 2.581 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72151346 RWKQRPXJKPNZCU-MRXNPFEDSA-N 360.408 2.594 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2CCCCC2)CC1 77422416 USSJXZMQKZALKK-UHFFFAOYSA-N 359.518 2.697 0 50 FFAA COc1ccc(Br)cc1/C=C/C(=O)N(C)C1CCNCC1 237104073 GGBBYLMJIZDCAE-ZZXKWVIFSA-N 353.260 2.681 0 50 FFAA Cc1sc2nc(CN3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)nc(O)c2c1C 372834115 BBFNEOWNVQNJSR-AGIUHOORSA-N 360.483 2.632 0 50 FFAA c1cn(CCc2nc3c(s2)CCCC3)c(-c2cc3n(n2)CCCNC3)n1 72417860 PRRHICVDONWAOH-UHFFFAOYSA-N 368.510 2.818 0 50 FFAA CCN1CC2(CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3F)CC2)OC1=O 77356359 XDPHEOFCGQTRPA-GFCCVEGCSA-N 368.380 2.565 0 50 FFAA COc1ccc(-c2nc(CN3CCN(CCCO)CC3)c(C)o2)c(C)c1C 71755375 GILXLYSKNCUZDV-UHFFFAOYSA-N 373.497 2.775 0 50 FFAA O=S(=O)(CCOc1ccc(F)cc1)N1CCC[C@H]1c1ccccn1 72133275 NOWCCOMXTPWMTD-KRWDZBQOSA-N 350.415 2.766 0 50 FFAA Cc1ccc2nc(SCCC(=O)NCCc3ncnn3C)cc(C)c2c1 222555345 BZBJPTFSORAXQC-UHFFFAOYSA-N 369.494 2.821 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCn1c(=O)oc2ccccc21 241161307 JZUSBDUGWWIGLB-UXLLHSPISA-N 358.438 2.791 0 50 FFAA COc1cccc(-c2noc(C3CCN(Cc4nccn4C)CC3)n2)c1 174854756 DQPUVTFLLAWDFY-UHFFFAOYSA-N 353.426 2.858 0 50 FFAA Nc1nnc([C@H](NC(=O)CSc2ccccn2)c2ccccc2)s1 222845106 RKJZOWICTAJKBG-CQSZACIVSA-N 357.464 2.513 0 50 FFAA CCn1ncc(CNC(=S)Nc2sc(C)cc2C(=O)OC)c1C 17073095 ICXOVPQILGEXBR-UHFFFAOYSA-N 352.485 2.855 0 50 FFAA O=C(Cc1[nH]nc2ccccc12)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 221330462 SXGPNIXISLMCLH-MOPGFXCFSA-N 369.396 2.597 0 50 FFAA CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 40287233 BKHQKLUZOJJCFW-UHFFFAOYSA-N 365.364 2.891 0 50 FFAA CCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccncc3C)c2)CC1 426360096 RJYKVEPRXPSDPX-UHFFFAOYSA-N 366.465 2.981 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)c1 82106576 DXMFBEFMDLGQNZ-FQEVSTJZSA-N 364.445 2.710 0 50 FFAA Cc1ccc(OCCN)c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 426550061 PLAVYZODJZENTH-UHFFFAOYSA-N 358.829 2.792 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 426434836 KUDCGDPYVLRSGM-AWEZNQCLSA-N 363.460 2.535 0 50 FFAA Cc1ccc2c(c1)C[C@@H](C(=O)NCc1noc(-c3c(F)cccc3F)n1)N2 223847476 NRIVLSPOMDMCHR-HNNXBMFYSA-N 370.359 2.976 0 50 FFAA CC(C)Oc1cccc(CCNC(=O)Nc2cccc(CC(N)=O)c2)c1 426667160 VUZVKCTZEYJRIM-UHFFFAOYSA-N 355.438 2.866 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(C(=O)COc3ccc(F)cc3F)C2)C1=O 91695420 ZJIIXMXVYCTSDP-IBGZPJMESA-N 366.408 2.593 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(CCS(=O)(=O)c3ccccc3)CC2=O)cc1 91547976 XUVNCNXOABJURH-QGZVFWFLSA-N 372.490 2.506 0 50 FFAA C[C@H](NC(=O)c1cnc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1 97527185 WYJOIZYNDIHCJC-ZDUSSCGKSA-N 358.463 2.855 0 50 FFAA C[C@H](CN1CCCCC1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 92061791 TVALRROVIHQOCZ-MRXNPFEDSA-N 370.497 2.534 0 50 FFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cccnc1)CC2 95367432 GRWRZRBKIPMHLN-LJQANCHMSA-N 363.461 2.631 0 50 FFAA CN(C)CCNC(=O)CCC1CCN(c2ccc3ccccc3n2)CC1 96164807 UTWJXQBJICPMDO-UHFFFAOYSA-N 354.498 2.909 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 238021178 XEMVCXOZFZHOPJ-KGLIPLIRSA-N 361.344 2.848 0 50 FFAA COc1cc(F)c(CN2CCC3(CC2)c2[nH]cnc2CCN3C)cc1OC 91390939 JSBCNJMJFGBFIY-UHFFFAOYSA-N 374.460 2.545 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@H](c2ccccc2)c2nccn2C)c1C 96148501 DSUXRTGYAYAODO-MRXNPFEDSA-N 352.442 2.936 0 50 FFAA COc1ccc(CN(Cc2nccn2C)C2CC2)cc1Cn1cccn1 97797730 OHDWNHBMOIWFSM-UHFFFAOYSA-N 351.454 2.838 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 91707499 RQLIIFGEOZWVOQ-SFHVURJKSA-N 370.453 2.558 0 50 FFAA Cc1cc(C)c2c(NCC3(N4CCN(C)CC4)CCCC3)ncnc2n1 95388748 FWRMLEUOWVTAKL-UHFFFAOYSA-N 354.502 2.614 0 50 FFAA CC(C)(C)n1ncn(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O 180409979 SLIOIRPUCVKPAB-UHFFFAOYSA-N 367.331 2.917 0 50 FFAA CCSc1nnc(NC(=O)CN2CC(c3nc4ccccc4[nH]3)C2)s1 244873131 WKNJWAUIJHNOPQ-UHFFFAOYSA-N 374.495 2.564 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCN(Cc4cccc(Cl)c4)CC3)ncn2)C1 243892778 ALDDAHSIHPXOMX-WOVMCDHWSA-N 358.873 2.691 0 50 FFAA Cn1cc(Br)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 252368053 IWTBQHFADKVOPH-NDMJEZRESA-N 355.232 2.646 0 50 FFAA Cc1cccc2oc(CNC(=O)N3CCC(N4CCSCC4)CC3)nc12 534661172 WQJJFNMMUGPUNU-UHFFFAOYSA-N 374.510 2.859 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)Nc1cc(C(F)(F)F)ccc1F 299776812 MAJWBOSSGNMOQT-LLVKDONJSA-N 363.355 2.670 0 50 FFAA COc1ccc(CC2=NO[C@@H](CNC(=O)[C@@H](OC)c3ccccc3)C2)cc1 299786207 PQAYUDSMVLMDNE-UXHICEINSA-N 368.433 2.887 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)N(CCO)Cc3ccco3)ccc21 299784021 YKNGQPAXKMJEOE-UHFFFAOYSA-N 373.409 2.825 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCc1noc(C(C)C)n1 827792200 XNFGECKGQPEQRQ-UHFFFAOYSA-N 350.806 2.800 0 50 FFAA COc1ccccc1Oc1ccc(NC(=O)C(C)(C)N2CCOCC2)cn1 824827584 LZOJWGNYJMNRKZ-UHFFFAOYSA-N 371.437 2.932 0 50 FFAA O=C(c1ccncc1F)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275751826 WHHWZPJKDSXAAB-CQSZACIVSA-N 356.401 2.509 0 50 FFAA O=C(Cc1cn2ccsc2n1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186591731 UAZAHQTUWDNAJO-QGZVFWFLSA-N 369.494 2.504 0 50 FFAA Cc1c(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 277738747 XXSKYOIPTPYCHL-FNODVLLQSA-N 365.886 2.675 0 50 FFAA C[C@H]1CCc2c(C(=O)N3CCC[C@@H](N(C)CC(=O)O)CC3)csc2C1 186663370 BCLQKTOCJLRREF-UONOGXRCSA-N 364.511 2.884 0 50 FFAA O=C(c1csc([C@H]2CCCO2)n1)N1CC[C@@H](OCc2ccncc2)C1 170692585 KTCPIBSZVZVMSP-GDBMZVCRSA-N 359.451 2.821 0 50 FFAA CCS(=O)(=O)NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 170625758 CQFCGOWVOIBELV-UHFFFAOYSA-N 354.453 2.677 0 50 FFAA CO[C@](C)(C(=O)N1CCO[C@H](c2nccs2)C1)c1ccccc1F 192093332 FJDDJGSLECIOKG-YOEHRIQHSA-N 350.415 2.744 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)cc2)o1 747558295 FPNDVTQNEYXLRM-AWEZNQCLSA-N 366.425 2.875 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1 1615738929 BVABAJFCYSERSY-HKUYNNGSSA-N 354.450 2.921 0 50 FFAA O=C(Cc1cccnc1)NC[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 1506412396 DCYVMBLZYSNGLV-AWEZNQCLSA-N 362.836 2.844 0 50 FFAA Cc1ncc(Cl)c(NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)n1 1704316462 QJWLKAQJKNZAEV-ZPVISIIKSA-N 359.865 2.893 0 50 FFAA CSc1cccc(CN2CCCN(C(=O)c3cc(C)nn3C)CC2)c1 1772816528 OZNCVXHIOKXDGY-UHFFFAOYSA-N 358.511 2.799 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C1=NN(C)C(=O)CC1 11821934 QXBDBJKUCBUZJT-UHFFFAOYSA-N 366.421 2.715 0 50 FFAA COc1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc(OC)c1 11957893 KJDBMFROUWNGLS-NRFANRHFSA-N 358.482 2.928 0 50 FFAA CC(C)CN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 14542757 JQJKAFGTQULMMN-QGZVFWFLSA-N 354.498 2.795 0 50 FFAA CSc1nnc(CNC(=O)[C@@H]2CCOC(C)(C)C2)n1Cc1ccccc1 14987462 QAHPQTCHTVBCQD-OAHLLOKOSA-N 374.510 2.870 0 50 FFAA COc1cccc(Cl)c1CC(=O)N=[S@]1(=O)CCC[C@]2(CCCN2)C1 1857530433 OCYOMRVAANZQOG-OSPHWJPCSA-N 370.902 2.802 0 50 FFAA CCn1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)cn1 1857717938 GSXVKCVKEVPUGS-PMACEKPBSA-N 368.481 2.581 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@H]1CCc2ccccc2C1 1857737080 WFKOGCKPCQXLHE-INIZCTEOSA-N 357.479 2.575 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 329863104 RPKRYENDKLBJHP-IAGOWNOFSA-N 370.453 2.834 0 50 FFAA CC1(C)C[C@H](c2ccccc2)N(S(=O)(=O)c2cnn3c2OCCC3)C1 333470322 NMZPOSHJZWYWAY-OAHLLOKOSA-N 361.467 2.828 0 50 FFAA O=C1CCCN1C[C@H]1CCCCN1C(=O)COc1ccc(F)cc1Cl 363515249 DSLVOEPYXLEJPW-CQSZACIVSA-N 368.836 2.861 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1 861269133 LOUOTJSNSVIOJY-CYBMUJFWSA-N 370.280 2.723 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)O)cc1 1875292100 WMQPDCVQBHUFMV-DGCLKSJQSA-N 360.439 2.656 0 50 FFAA O=C(N[C@]12CCCCC[C@H]1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1 1875405128 UOHRQCHFBBJEHC-XLIONFOSSA-N 356.470 2.662 0 50 FFAA COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)cc1OC 1027752 SZOHZVRLCDOYMM-UHFFFAOYSA-N 371.798 2.856 0 50 FFAA Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(N)cc1 920751 NNIXETIDOWZNAB-UHFFFAOYSA-N 365.462 2.746 0 50 FFAA O=C(NCc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](n2ccnc2)C1 2325718443 OAXYQQVLASZQDZ-KRWDZBQOSA-N 350.426 2.820 0 50 FFAA CCC(CC)(CNC(=O)[C@H](N)Cc1ccnnc1)c1ccc(Cl)cc1 2325768359 LKJPMLINZCDVPE-QGZVFWFLSA-N 360.889 2.874 0 50 FFAA C/C(=C\C(=O)N1CCC[C@@H](n2ccc(O)nc2=O)C1)c1ccccc1C 2325792682 DKDRSNDGQHUTKL-ASNKMWSDSA-N 353.422 2.524 0 50 FFAA CCCn1nc(-c2ccc(CN(C)C)cc2)nc1[C@H](O)C1CCOCC1 2325849289 KVMULONECYRHQA-GOSISDBHSA-N 358.486 2.877 0 50 FFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c1 971085 VGPWHIKJIOXKKH-GOSISDBHSA-N 367.405 2.970 0 50 FFAA COc1ccc(Cc2nnc(SCC(=O)NCc3ccco3)o2)cc1 1156806 MRYALCVEKNGGIC-UHFFFAOYSA-N 359.407 2.671 0 50 FFAA Nc1cncc(-c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc2)n1 2356135765 SBTXTGXOQFZCNO-LJQANCHMSA-N 373.460 2.730 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)c2cccc(Cl)c2C)C1=O 2356163745 PNIVXDTWPFICSX-IBGZPJMESA-N 364.873 2.892 0 50 FFAA O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCCO1 8670575 NOGNUSXEEBWYGM-MRXNPFEDSA-N 352.390 2.943 0 50 FFAA O=C(O)CCc1ccc(S(=O)(=O)NCC2(C3CCC3)CCC2)cc1 414333553 APHPPLBBQLZTOM-UHFFFAOYSA-N 351.468 2.953 0 50 FFAA C[C@@H](c1ccco1)N(C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 55281134 HVLLJAYRCHQWDN-INIZCTEOSA-N 358.438 2.710 0 50 FFAA O=C(Nc1ccccc1F)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65380507 ZCGUPSXZXQTMBC-XJKSGUPXSA-N 358.369 2.937 0 50 FFAA NC(=O)c1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 117204756 CPAXJSQPKVZAGM-UHFFFAOYSA-N 360.279 2.804 0 50 FFAA O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 465115636 XZXKIZPDEZHMLO-LJQANCHMSA-N 354.425 2.718 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)N3C[C@H](N)C[C@H]3C(=O)NC)cc2)cc1 67921579 QKDKBKIWPAJKIQ-UXHICEINSA-N 365.477 2.594 0 50 FFAA c1ccc(N2CCN(Cc3nnc4sc(-c5ccco5)nn34)CC2)cc1 65362689 YJBRLAKVZRHLJS-UHFFFAOYSA-N 366.450 2.768 0 50 FFAA CC(C)c1nc(Cc2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)no1 67967687 HVRSASHJDMIIIY-GFCCVEGCSA-N 369.400 2.716 0 50 FFAA Cc1cccnc1CCNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11937295 TZLJQBYYTVUGIN-GOSISDBHSA-N 357.498 2.868 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 67772629 ICFDKXXYQFXYMW-NRFANRHFSA-N 353.466 2.650 0 50 FFAA CCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(OC)cc12)c1nnn[nH]1 119609899 ZKDDYHUDUHYXGH-INIZCTEOSA-N 366.425 2.905 0 50 FFAA CC[C@H]1CN(C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)CC[C@@]1(C)O 67894039 HUSFCLIRVJXWSB-MEDUHNTESA-N 370.375 2.680 0 50 FFAA CC(C)(C)C(=O)NCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 120846555 MSKMXGQFKXLSEP-UHFFFAOYSA-N 371.485 2.614 0 50 FFAA CC(C)[C@@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1nccn1C 72129438 YCZFVJCVMQPYHG-OAHLLOKOSA-N 362.441 2.968 0 50 FFAA COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(C)c(CC(C)C)[nH]1 4626001 AXVIBKRYHKJMDZ-CQSZACIVSA-N 355.504 2.713 0 50 FFAA COc1cccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)c1 5884912 UAFFNOCINJCIFG-QZTJIDSGSA-N 372.446 2.616 0 50 FFAA CSc1ccc(CN2CC[C@@H]3CN(C(=O)CCn4cccn4)C[C@@H]32)cc1 219564458 HQQVMJLUWUODTH-MJGOQNOKSA-N 370.522 2.728 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3cccn3C3CC3)CC2)no1 328623973 CFJQSALEKFTSMY-HNNXBMFYSA-N 357.458 2.641 0 50 FFAA CC(=O)c1ccc(Br)cc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 154134684 QXFFVPXSWJDDKM-QWRGUYRKSA-N 370.243 2.666 0 50 FFAA CCn1nc(C)c(CN2CCOC[C@@H]2CC(=O)Nc2ccccc2F)c1C 72419513 GSUCYGJJUSASJR-INIZCTEOSA-N 374.460 2.889 0 50 FFAA O=C(Cn1cccnc1=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 376036923 AMGSOFPNJGUHPR-AWEZNQCLSA-N 365.355 2.668 0 50 FFAA Nc1nc(C2CC2)ncc1-c1noc(-c2ccc(Cn3ccnc3)cc2)n1 445595702 GQPSFRXDVGYBJL-UHFFFAOYSA-N 359.393 2.898 0 50 FFAA COc1ccc(CN2CCC(CNC(C)=O)CC2)cc1CN1CCCC1 215376224 VQKZCNCEDZEMHQ-UHFFFAOYSA-N 359.514 2.639 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 333803148 DTJXPEZXBYWGMJ-MWQQHZPXSA-N 373.501 2.980 0 50 FFAA Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 36621232 MKRXSHOSJYHWDN-INIZCTEOSA-N 372.446 2.966 0 50 FFAA O=C(CN1CCC([C@H]2CCN(CCc3ccccc3)C2)CC1)NC1CC1 72149409 HUTCLNXCGZJMKV-FQEVSTJZSA-N 355.526 2.542 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC[C@H](N)C2)cs1 157825612 QKNYHCWXSXHWBY-FDMDGMSGSA-N 357.479 2.993 0 50 FFAA COc1ccccc1-c1ccc(N2CCC[C@@H](CN3CCCC3=O)C2)nn1 71614456 OILLYCPAGVWNBF-MRXNPFEDSA-N 366.465 2.991 0 50 FFAA Cc1ccc(O)c(CNC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)n1 284625721 SVEHJIUURAOXRD-MGPUTAFESA-N 355.486 2.534 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(Cl)c1 77524693 OBJMOTOETIAFAY-OAHLLOKOSA-N 364.873 2.982 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 220291809 HRZNNFISIIEWAQ-HNNXBMFYSA-N 355.438 2.883 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H](C)N2CCCCCC2)n1 220726747 UYCZZDCIYBNZNB-ZDUSSCGKSA-N 358.408 2.727 0 50 FFAA CC(=O)N1CCCn2nc(CNc3cc(C(F)(F)F)ccn3)cc2C1 82107107 CTHKONVXBVWJFX-UHFFFAOYSA-N 353.348 2.661 0 50 FFAA CC(C)Cc1nc(CNC(=O)N(C)Cc2cc(-c3ccccn3)no2)no1 426388625 YZHCJSZLOXBEJL-UHFFFAOYSA-N 370.413 2.660 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2sc(C)nc2C)C[C@H]1C(=O)O 91657131 GOJBPVVOEKYSMZ-UONOGXRCSA-N 360.435 2.709 0 50 FFAA Cc1cc(C)nc(CCNC(=O)N2CCCN(C3CCCCC3)CC2)n1 426388196 SVBCFMYGBDNZND-UHFFFAOYSA-N 359.518 2.686 0 50 FFAA Cc1csc(S(=O)(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)c1 91746324 CJDBZVGSMVNLDW-MRXNPFEDSA-N 351.493 2.802 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1c(C)nn2c(C)cc(C)nc12 97547712 JWXNUYNNILWZSV-MRXNPFEDSA-N 353.426 2.509 0 50 FFAA Cc1ccc(NC(=O)N(C)C[C@H]2CCCCO2)cc1NC(=O)CN(C)C 96152190 IBJAFOQDPGWXFH-MRXNPFEDSA-N 362.474 2.528 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccncc4)C3)CCC2=O)cn1 91325329 VRVUDFVZMOUNDI-NRFANRHFSA-N 365.481 2.585 0 50 FFAA O=C1C[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1Cc1cccnc1 95359591 YLLPJZUPYNFBKF-MRXNPFEDSA-N 369.852 2.668 0 50 FFAA OC[C@H]1CN(Cc2ccc(-c3ccccc3)s2)C[C@H]1CN1CCOCC1 91526352 DVMLUDKERGJHHQ-RTBURBONSA-N 372.534 2.788 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCCCn2nc(C)nc2C)c1 95521252 RVVRBNVVOJIDHG-UHFFFAOYSA-N 362.409 2.594 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 95386413 DDYFYQDWMYVIFN-QGZVFWFLSA-N 366.469 2.879 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)c(C)c1)CC2 91468358 TYINMHZLCYHSPP-UHFFFAOYSA-N 362.445 2.625 0 50 FFAA CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 97117766 WRJYKDOKPAXMRY-KRWDZBQOSA-N 356.426 2.605 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cc(-c2ccccn2)[nH]n1 97785103 PRRJGLIWHJRIAJ-OAHLLOKOSA-N 361.449 2.648 0 50 FFAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccnn3)CC2)C1 95379186 AAGNJNVDAIMKHQ-SFHVURJKSA-N 350.466 2.818 0 50 FFAA CCOc1ccc(-c2ccc(CN3CCN([C@H]4CCNC4)CC3)o2)cc1 97099035 MAXSWCMGMWPQGY-SFHVURJKSA-N 355.482 2.825 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)c1scnc1C)[C@H]1C[C@H](O)C1 244748818 OOWAODNSJBGIJP-IXPVHAAZSA-N 350.415 2.841 0 50 FFAA O=C(c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)cc1)N1CCCC1 243893183 APACQGJVOUACQG-CALCHBBNSA-N 352.438 2.563 0 50 FFAA Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)on1 182815556 NOFFUKZXGBJVCS-NEPJUHHUSA-N 371.363 2.862 0 50 FFAA COc1ncccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 298987427 MVVDMVMWQBKFGA-UHFFFAOYSA-N 361.392 2.763 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1OCc1ccncc1 299743348 KLGMPOIUOKVIQH-INIZCTEOSA-N 370.405 2.749 0 50 FFAA O=C(NCCSc1cnn[nH]1)c1cc(N2CCCCC2)ccc1Cl 252503988 VHQUJUCLKLUNOD-UHFFFAOYSA-N 365.890 2.971 0 50 FFAA CCOc1ccccc1CN(CCO)C(=O)Nc1ccc2c(cnn2C)c1 299794426 KFIYBAUHUMKNPG-UHFFFAOYSA-N 368.437 2.998 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2ccnn2C[C@H]2CC=CCC2)CC1 299786552 VAFUKEOLZOWCRT-HNNXBMFYSA-N 361.446 2.545 0 50 FFAA O=C(Nc1ccnn1Cc1cccc(F)c1)N1CCCN2CCC[C@H]2C1 299801551 YKSUTLNVQBXFGN-KRWDZBQOSA-N 357.433 2.773 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N2CCC(Oc3cccnc3)CC2)c1C 299765983 YXNQZDLZLYTDKR-UHFFFAOYSA-N 370.453 2.558 0 50 FFAA CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C3CCOCC3)C2)c(C)c1 823128423 NUQJXKHVACHFQN-KRWDZBQOSA-N 373.497 2.574 0 50 FFAA Cc1ccc(NC(=O)CCNC(=O)c2csc(CN(C)C)n2)c(C)c1 670472138 XOIRRUPOYIJFFN-UHFFFAOYSA-N 360.483 2.580 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3ccccc3-n3cncn3)CC2)n1 952966260 USONCZMKKRZUPV-UHFFFAOYSA-N 366.425 2.794 0 50 FFAA O=C(Nc1ccc2scnc2c1)c1cn(CC[C@H]2CCCCN2)nn1 952970345 KKNDTUIEGPPURF-GFCCVEGCSA-N 356.455 2.672 0 50 FFAA Cc1ccc(-n2nnnc2NC[C@H](O)c2ccc(OC(C)C)cc2)cc1 301308640 CZEVLOORATZYPX-SFHVURJKSA-N 353.426 2.903 0 50 FFAA Cc1cc(I)cnc1NC(=O)[C@H]1CCO[C@@H](C)C1 272068011 KYJUPUORPJSEJG-UWVGGRQHSA-N 360.195 2.748 0 50 FFAA CCS(=O)(=O)Nc1ccc(NC(=O)c2cn3ccnc3s2)cc1C 190826561 QGOAMOOVCUFDMQ-UHFFFAOYSA-N 364.452 2.718 0 50 FFAA COc1ccc2[nH]c(CNc3cc(N4CCC(O)CC4)ncn3)cc2c1 1529098413 FKHFPPITKBLKGI-UHFFFAOYSA-N 353.426 2.540 0 50 FFAA NC(=O)c1csc(N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)n1 1529168406 BRSQPJAKWDZKTB-ZSZQSSIHSA-N 357.479 2.899 0 50 FFAA COc1ccccc1Cc1nc(-c2cnc(C)cn2)n([C@H]2CCOC2)n1 1772813332 XFDZSIWMWFQXFK-HNNXBMFYSA-N 351.410 2.604 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NCCC(C)C)CC2 14745473 FJBLVEKLLMUMHL-GOSISDBHSA-N 368.525 2.978 0 50 FFAA Cc1n[nH]c(C)c1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857696894 PSKLFLVWBIJEEV-HXUWFJFHSA-N 367.453 2.520 0 50 FFAA CCc1nccc(-c2nccn2CC2(N3CCOCC3)CCCCC2)n1 1857730454 SLEKIIWJWXLWSK-UHFFFAOYSA-N 355.486 2.938 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 213462262 SYAXORQSTVKJBJ-MOPGFXCFSA-N 364.493 2.884 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cn1 217413262 TXNDPVMTFHCJFB-XDTLVQLUSA-N 353.216 2.702 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](Nc2ccc3c(c2)C(=O)NC3)C1=O 117377257 GXOSOCBTOGSTSC-QGZVFWFLSA-N 353.397 2.985 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3C[C@H](C(=O)O)[C@@H](c4ncc[nH]4)C3)[nH]c12 248000916 DGJHRMJSIKMFTB-KBPBESRZSA-N 366.421 2.757 0 50 FFAA CNC(=O)c1ccc(CNC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1 847282381 OSUPUUXFIGIHFU-OAHLLOKOSA-N 359.470 2.679 0 50 FFAA COc1cc(C)nc(CCNCc2ccc(Oc3cnccn3)cc2)n1 1875291220 RNSAJDVQZWIKPV-UHFFFAOYSA-N 351.410 2.708 0 50 FFAA C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 1875319079 PQZLLZXGKOTRSM-OTYXRUKQSA-N 355.316 2.574 0 50 FFAA CO[C@H](C(=O)NC[C@H](N)c1ccc(F)cc1F)c1cc(F)cc(F)c1 1875344703 JILYGAFHJZQYHM-HOTGVXAUSA-N 356.319 2.747 0 50 FFAA O=C(c1ccc(=O)n(CC(F)(F)F)c1)N1CCCCC[C@H]1c1ncon1 1875317162 QBHPOWIHRAVAGG-LBPRGKRZSA-N 370.331 2.551 0 50 FFAA COc1nc(C)cc(C)c1CN(C)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875403891 JCFMQUZCRMTIKY-UONOGXRCSA-N 372.469 2.735 0 50 FFAA Cc1ccc(OCC(=O)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1 888078639 FRRZKOMEPKKXQP-UZLBHIALSA-N 357.454 2.618 0 50 FFAA Cc1cnc(CN2CCC(c3ncc(C(=O)N4CCCCC4)o3)CC2)o1 888103199 OKKFVRWWRCMEPE-UHFFFAOYSA-N 358.442 2.977 0 50 FFAA CC[C@H](NC(=O)Cc1cccc(N)n1)[C@@H](O)c1ccc(C(F)(F)F)cc1 2325801447 IRNYLYKIPANAJT-YOEHRIQHSA-N 367.371 2.854 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)C2)c(C)cn1 2325875107 GHZPGDGZZDTZPB-KUZCPNRJSA-N 355.482 2.808 0 50 FFAA COc1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(OC)c1 1119593 UAPDWRIZXKTUSL-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA Cc1cc(C)cc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 1178934 OSGGJILHSFQZPZ-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)cc2)c1 1217968 VUTNTYHCTSUMST-QGZVFWFLSA-N 369.446 2.832 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(c3nc4cc(C(=O)OC)ccc4n3C)C[C@H]21 2356156896 VXSBQCQYKJSTEC-MDOVXXIYSA-N 357.454 2.737 0 50 FFAA CCOc1ccc2nc(NC(=O)CSc3nnc(N)s3)sc2c1 2732194 XJBGWVNQVNPSFS-UHFFFAOYSA-N 367.481 2.860 0 50 FFAA COc1cc(S(=O)(=O)NCc2ccccc2)ccc1Br 2868816 DLYHEDFWZAMFAO-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)Cc3cn(C)nc3-c3ccccc3)C[C@H]2CC1=O 2356166945 FFLHHDODDVXJCD-SCTDSRPQSA-N 352.482 2.776 0 50 FFAA CC(C)[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)O 2983314 UODHKQUGRPVOKE-MTMYEVCSSA-N 366.417 2.683 0 50 FFAA biogenic CCc1ccc(CN(CCOC)C(=O)c2cnc(N(C)C)nc2C)cc1 55183080 WMINCZWXXWFIDN-UHFFFAOYSA-N 356.470 2.702 0 50 FFAA CCc1noc(CN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)C(C)C)n1 55325393 XTCWWYMPOGXDAA-HNNXBMFYSA-N 360.458 2.874 0 50 FFAA C[C@H](c1nnc(SCC(=O)O)n1-c1cccc(Cl)c1)n1ccnc1 67840183 VKVWHHPCEFZXKC-SNVBAGLBSA-N 363.830 2.903 0 50 FFAA CN(C(=O)c1cc(CN2CCC(O)CC2)on1)[C@H]1CCCc2ccccc21 67674936 MYFXWDFWJVXNFF-FQEVSTJZSA-N 369.465 2.781 0 50 FFAA COC[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1 172255735 CZOQPGBMTGKFNP-FQEVSTJZSA-N 359.514 2.967 0 50 FFAA CC[C@H](C)CS(=O)(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 248448616 XNEGNULDXBCCKK-NWDGAFQWSA-N 353.410 2.915 0 50 FFAA Cc1cc(C)n(CCN(C)C(=O)CCc2nnc(-c3ccccc3)o2)n1 23430158 RTURWCOFHZKBGN-UHFFFAOYSA-N 353.426 2.641 0 50 FFAA CN1CCN(c2cccc(N3CCC(NCc4nccs4)CC3)c2)C1=O 20910724 QZJZEIAGVMCCNC-UHFFFAOYSA-N 371.510 2.774 0 50 FFAA CCN1CN(C(=O)NCc2c(OC(C)C)ccc3ccccc23)CC1=O 252484789 GHTIMCXPEUHBQK-UHFFFAOYSA-N 355.438 2.958 0 50 FFAA NC(=O)NC(=O)CCN1C[C@H](c2ccccc2)O[C@H](c2ccc(F)cc2)C1 230084517 IUXMMTDFVLKOOT-MSOLQXFVSA-N 371.412 2.525 0 50 FFAA CCOc1cc(CNC(=O)c2cnn(CC(F)(F)F)c2)ccc1OC 252572220 YZNRIRPKQQFUCJ-UHFFFAOYSA-N 357.332 2.783 0 50 FFAA CCCc1cnc(C)nc1N1CCN(Cc2nc3ccccc3[nH]2)CC1 67773394 NPAAUSUSXCUKLU-UHFFFAOYSA-N 350.470 2.936 0 50 FFAA CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@@H]1CCC[C@H]1S(C)(=O)=O 252667366 CWOCPPNULIOJQU-QZTJIDSGSA-N 374.591 2.805 0 50 FFAA CCCCN(C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 253419268 LMKDXBGNEUCUMK-PXNSSMCTSA-N 359.514 2.977 0 50 FFAA COC(=O)[C@@H]1C[C@H](OC)CN1CCCCCn1c(C)nc2ccccc21 328594088 OQEHXHWAUBJVEX-LPHOPBHVSA-N 359.470 2.777 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)C3(C)CCNCC3)CC2)OC1=O 77357390 SGEJPSKXWJEMJF-UHFFFAOYSA-N 365.518 2.770 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 328646945 SXQZOMMEWLVIEH-NVXWUHKLSA-N 354.516 2.538 0 50 FFAA CC(C)n1ncc2cc(CN[C@@H]3CCC(O)=N[C@H]3c3cnn(C)c3)cnc21 328620751 ACBBSLUJWLROHU-AEFFLSMTSA-N 367.457 2.696 0 50 FFAA CCc1nn(C)c(CC)c1CNC(=O)Nc1ccc2c(c1)N(C)CCO2 154365600 ZARFOALGMUOALX-UHFFFAOYSA-N 357.458 2.695 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2(c3ncon3)CCOCC2)o1 364080064 CWPAPSYGDVIGJI-RQJABVFESA-N 357.410 2.712 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccn(C)n2)CCCN1Cc1ccc(F)cc1 71753940 BIJDLJSAPIZESI-LJQANCHMSA-N 358.461 2.932 0 50 FFAA CC1(C)Cc2cc(CN3CCC(C(=O)O)(n4cccn4)CC3)ccc2O1 72454065 PPWOJNSAJIDKLX-UHFFFAOYSA-N 355.438 2.673 0 50 FFAA Cc1cnc(C)c(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72463229 RLNIKNHOEUDVDU-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)c1 366771775 ZFTQCQMJHUHPBJ-ZIAGYGMSSA-N 355.438 2.548 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCC[C@@H]1c1nc(-c2ccccc2)no1 72163366 FCRAIJSQUQRSGV-CQSZACIVSA-N 353.382 2.583 0 50 FFAA COc1ccc(OC2CCN(C(=O)[C@H](C)Cn3nc(C)nc3C)CC2)cc1 77521913 HQQUXMOMGCTKPR-CQSZACIVSA-N 372.469 2.610 0 50 FFAA COC[C@@H]1[C@@H](Nc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@@H]2CCO[C@@H]21 219301215 CIWCFMVEHGYFRQ-XCCSTKFXSA-N 357.376 2.836 0 50 FFAA Cc1nn(C)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c1Cl 72174609 SFGCHAWUMMWWKA-KRWDZBQOSA-N 372.900 2.697 0 50 FFAA CN(C)c1ncc(CN2CCCN(C3Cc4ccccc4C3)CC2)s1 77540866 RNPNQOMYVYHZME-UHFFFAOYSA-N 356.539 2.884 0 50 FFAA c1nc(C2CCCCC2)ncc1CN1CCN([C@@H]2CN3CCC2CC3)CC1 77379297 TXZGAKMAXGKSON-OAQYLSRUSA-N 369.557 2.736 0 50 FFAA Nc1nc2c(c(NCc3cccs3)n1)CCN(c1nccs1)CC2 72457722 WBXJJIUWVOBCMU-UHFFFAOYSA-N 358.496 2.794 0 50 FFAA COc1cc(C)nc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 284805314 KERSRBSBENTUTE-OXJNMPFZSA-N 357.502 2.647 0 50 FFAA C[C@H](C(=O)N1CCN(C)c2ccc(F)cc21)n1nnc(-c2ccccc2)n1 174732360 YHHUKQCUMAGNSG-CYBMUJFWSA-N 366.400 2.523 0 50 FFAA O=C(C1CCC1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 82156745 NNYDRYZPCDSIKN-UHFFFAOYSA-N 357.502 2.715 0 50 FFAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@@H](Cn4ccnc4)C3)nc12 222618443 FDMOSLOQKMEIMY-INIZCTEOSA-N 367.453 2.523 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CSc2ccccn2)cc1 223542496 RURFEWBFCRDMSN-IAGOWNOFSA-N 358.463 2.908 0 50 FFAA CCCc1ccc(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cc1 426371893 ACGZLEGBXDWHOQ-UHFFFAOYSA-N 365.477 2.549 0 50 FFAA O=C(NCc1ccco1)N1CCC(Cn2cc(-c3ccccn3)nn2)CC1 82039462 ZSVWZLKJNPZUQA-UHFFFAOYSA-N 366.425 2.555 0 50 FFAA CC(=O)c1cc(C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)[nH]n1 97813595 CIHIVMFJQWCNCP-UHFFFAOYSA-N 352.369 2.989 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(CC(=O)NC3CC3)CC2)C1 91806998 MXYLMVUVTPIMSG-IBGZPJMESA-N 355.526 2.857 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)CC(C)C)CC1 92065116 QOIPQVOTSGTCPU-UHFFFAOYSA-N 358.490 2.603 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cnn4ccccc34)C[C@H]2N(C)C)cc1 95523687 CDXWNVYWELVLQF-AZUAARDMSA-N 364.449 2.513 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H]1c1ccncc1 91794162 AJPWIRQFHKPSJQ-LSDHHAIUSA-N 354.435 2.833 0 50 FFAA CC(C)c1cc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)no1 95519971 KQBSQZFCHLZXFK-MRXNPFEDSA-N 357.410 2.950 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)C1 239402965 RIVQMHSILJEIBU-GMTAPVOTSA-N 364.467 2.801 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@H](c1cccc(OC)c1)CNC2=O 95527856 MXABDCHECDXTDH-AWEZNQCLSA-N 365.437 2.762 0 50 FFAA CN1CCN(CC2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)CC1 140747161 JPUAAXKWGXMDFZ-UHFFFAOYSA-N 368.884 2.970 0 50 FFAA Cc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCCCC3)c2)n1 96153492 IYBHSGMADLULGQ-UHFFFAOYSA-N 354.454 2.797 0 50 FFAA Cc1ccc(-c2cccc(CN3CCN(c4ncc[nH]c4=O)CC3)c2)o1 97759374 ZLDYQIHNTPETCD-UHFFFAOYSA-N 350.422 2.661 0 50 FFAA COc1cccc(CN2CCN(C(=O)Nc3ccc(C)nc3C)CC2=O)c1 96130806 KFUNGBPWADBBPN-UHFFFAOYSA-N 368.437 2.583 0 50 FFAA CC(C)c1noc([C@H]2CCCN(CC(=O)NCCc3ccc(F)cc3)C2)n1 244735107 NTCFXQQVCJDDIW-INIZCTEOSA-N 374.460 2.870 0 50 FFAA CN1CCCN(C(=O)CCCc2ccc(Cl)cc2)CC12CCNCC2 240228097 KFYSZQHVEVWUHD-UHFFFAOYSA-N 363.933 2.949 0 50 FFAA C[C@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1Br 299742340 BFRRLAPYLVLXCX-NEPJUHHUSA-N 370.243 2.645 0 50 FFAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1NCCc2nc[nH]c21 534660393 QROSNNSGDJSDRS-NRFANRHFSA-N 360.461 2.935 0 50 FFAA O=C(NCc1cscn1)N1CCN([C@H]2CCc3ccccc3C2)CC1 534674496 IZEHOIWSYKQGEQ-SFHVURJKSA-N 356.495 2.528 0 50 FFAA CN(C)CC1CCC(NC(=O)NCCc2nn(C)c3ccccc23)CC1 184986636 JUMPJKSFHZWXLD-UHFFFAOYSA-N 357.502 2.535 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCCCc3nc4ccccc4[nH]3)C2)n[nH]1 275610473 JGRYQFUNDWAWQW-CQSZACIVSA-N 367.457 2.511 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074548652 PTBUQJHEYSVQCR-KOUHRCEDSA-N 354.450 2.986 0 50 FFAA CCc1nc(N2CCC(CNC(=O)c3ccc4ccccc4n3)CC2)no1 952990240 HLOUXZUNHQQNEN-UHFFFAOYSA-N 365.437 2.827 0 50 FFAA Cc1cc(C)n(-c2cncc(N3CCN(c4cc(F)ccc4F)CC3)n2)n1 301588125 WTDPMECXVDHBBQ-UHFFFAOYSA-N 370.407 2.884 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)C12CCOCC2 170597960 WJPGCNSWGBHSCZ-IPMKNSEASA-N 359.466 2.697 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1)CO2 186197070 QKRFVBAZLZGPEQ-SJLPKXTDSA-N 367.449 2.777 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1scnc1Br 791090321 BYIGMEQCEZKINX-MRVPVSSYSA-N 371.260 2.785 0 50 FFAA COc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)NC2=S)cc1 685124 HSDAWVFDCSTSBM-YBEGLDIGSA-N 370.430 2.975 0 50 FFAA O=C(c1ccncc1)N1CCC(NCc2ccc(-c3ncon3)cc2)CC1 1506429339 SEDAOLHIAJXPRG-UHFFFAOYSA-N 363.421 2.526 0 50 FFAA Cc1cccc(N2C[C@H](Nc3ncccc3C(=O)N3CCCC3)CC2=O)c1 1704300827 XGQGQTZOJCPYDO-MRXNPFEDSA-N 364.449 2.843 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccccn3)CC1)OCC2 1704298467 FVWFIZVMRGVHFN-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA O=C(NS(=O)(=O)C(F)F)c1ccc(-c2ccc(Cl)s2)cn1 1875354751 NPYHVKDMZDNQEL-UHFFFAOYSA-N 352.771 2.746 0 50 FFAA CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(C(N)=O)c1C 994800 AZZBBFDWZAULFY-MDZDMXLPSA-N 358.419 2.984 0 50 FFAA O=C(NCCCn1cccn1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1775978417 NMJSZDNHODZPTD-OAHLLOKOSA-N 367.478 2.713 0 50 FFAA Cn1ccnc1CN1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 11820216 UJTQWZULYQJCOG-HXUWFJFHSA-N 374.435 2.713 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccnc1 11839958 XTKHXTWTHSXGOH-CQSZACIVSA-N 363.339 2.631 0 50 FFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2Cc2cc(C3CC3)[nH]n2)c1 12150824 RWKFEKWOGSCPLM-SFHVURJKSA-N 368.481 2.967 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 12243514 MDDFCZRIUCCMRH-LJQANCHMSA-N 363.889 2.746 0 50 FFAA Cc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Br)cc1 12274045 YEUJZYXBVCOCMT-UHFFFAOYSA-N 361.199 2.861 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)/C=C/c3c(F)cccc3F)C2)CC1 12386603 KRTRTDALFRFWSS-KIUWMYQTSA-N 363.452 2.653 0 50 FFAA CCC[C@@]1(CO)CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC[C@@H]1O 1857717999 JZKXUQSRJCLEHK-YOEHRIQHSA-N 373.419 2.724 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(Cl)cn2)[C@H]1c1ccccc1 1857726370 NTYWIFIMXOMALJ-ROUUACIJSA-N 359.857 2.879 0 50 FFAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857733435 KSOASNGMHSXQMP-VMDGZTHMSA-N 354.450 2.659 0 50 FFAA O=C(c1c[nH]c2ccccc12)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209794412 XHAGNLYIIULRFB-KDOFPFPSSA-N 364.401 2.887 0 50 FFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N(C)[C@H]1CCOC1 1875311298 SWWCIMRFGDNLLV-HNNXBMFYSA-N 369.874 2.552 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2cc(C)on2)O3)n1 14969512 ZJEVTXYJRPTLMV-MRXNPFEDSA-N 364.405 2.790 0 50 FFAA CC(C)Cc1nc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)no1 1704325423 LHWBHZCVKSBHEM-FQEVSTJZSA-N 370.501 2.604 0 50 FFAA Cc1noc(C[C@H]2CCCN(S(=O)(=O)CC34CCC(CC3)C4)C2)n1 907499127 UHWFBWJHGCCYJU-ISXOHVOVSA-N 353.488 2.543 0 50 FFAA O=C(O)[C@H](c1ccc(Cl)c(F)c1)N1CCC(O[C@H]2CCOC2)CC1 1875304379 ITFZRMNEXXAKAU-BBRMVZONSA-N 357.809 2.875 0 50 FFAA CN1C[C@H](OC(=O)CC2c3ccccc3Oc3ccccc32)CNC1=O 1875338609 DOBQYMCOJQZQNU-CYBMUJFWSA-N 352.390 2.881 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 1875349731 KLOGLEMAUYYUHP-MNEFBYGVSA-N 357.498 2.910 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@@H](C2CC2)[C@@H]1c1nnc(O)n1C(C)C 1875401724 QBSHNNURUKWKMP-DZGCQCFKSA-N 370.457 2.615 0 50 FFAA CC1(CC(=O)N[C@H]2CCN(C(=O)c3cnc(C4CC4)[nH]3)CC2(C)C)CC1 1875407313 XEFIEPCOKGTIIC-HNNXBMFYSA-N 358.486 2.834 0 50 FFAA NC[C@@]1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CCCOC1 884448000 OTZJBSHJJHWYCN-INIZCTEOSA-N 353.394 2.782 0 50 FFAA CCCCn1nc(CC(N)=O)nc1Cn1c(C(C)C)nc2ccccc21 2100483620 BLAOWPAPNRQBBF-UHFFFAOYSA-N 354.458 2.627 0 50 FFAA Cc1nc2cccc(OCC(C)(C)C(=O)NC(C)C)c2c(N)c1C(=O)O 114239818 RHXLOOCFQPJWBW-UHFFFAOYSA-N 359.426 2.753 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 2325738785 HXNXJPUMVQBLIA-HZPDHXFCSA-N 355.438 2.600 0 50 FFAA CCOc1cc(CC[C@@H](C)NCc2nnn(C)c2C(F)F)ccc1O 2325775171 GGEGGLLJWHGPMD-LLVKDONJSA-N 354.401 2.968 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1NCCc2c1ccc(F)c2F 2325829444 KGPUGOPBPAQRDU-JLTOFOAXSA-N 371.431 2.937 0 50 FFAA CSCC(=O)N[C@H]1CN(C(=O)c2ccc3cccnc3c2)CC1(C)C 2325870878 SSZMHUQDRJJFKG-INIZCTEOSA-N 357.479 2.565 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)CC1 2325883359 WTWRJBINXRGLJZ-NRFANRHFSA-N 370.493 2.692 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCc3ccc(O)cc3[C@@H](C)C2)cc1 2325888447 SZYXKUITKKONBI-HNNXBMFYSA-N 364.445 2.996 0 50 FFAA CCOC(=O)[C@H](NC(=O)C1(F)CCCC1)[C@@H](O)c1ccc(Cl)cc1 862333678 OTDGQLDVJFGIAA-KGLIPLIRSA-N 357.809 2.704 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(Br)c1 940127 NHLKWQGAMYZCJK-UHFFFAOYSA-N 359.179 2.684 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cnc(O)c3ccccc23)C1=O 2356148785 RQGJQZXSCRRLPN-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356155711 KMYAEWVSTMNGKG-HXUWFJFHSA-N 366.396 2.923 0 50 FFAA COCCn1cnnc1[C@@H](C)Nc1nccc(-c2ccc(N(C)C)cc2)n1 2356169954 NVGJVXPRWPLEAX-CQSZACIVSA-N 367.457 2.621 0 50 FFAA COc1cc2c(cc1OC)CN(C[C@@H](O)COc1ccc(C)cc1)CC2 7636302 PDTXTAZQOXYTOE-GOSISDBHSA-N 357.450 2.810 0 50 FFAA COc1ccc(Br)cc1CN1CCN(c2ncccn2)CC1 22591292 PEDXFVUGTVCQDZ-UHFFFAOYSA-N 363.259 2.570 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(N2CCOCC2)cc1 20459200 DHUJGZCSVFDTJC-UHFFFAOYSA-N 362.433 2.639 0 50 FFAA O=C1CCC(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 20149781 DSEPLLDIQNSOIF-UHFFFAOYSA-N 363.461 2.500 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)c1cnc2c(c1)nnn2C 67895020 NUUMVHKZDLAFBS-UHFFFAOYSA-N 374.404 2.789 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(F)cc2)n1 67612779 FUSVFWBELVRAGJ-UHFFFAOYSA-N 357.433 2.756 0 50 FFAA CCOC(=O)[C@@H](CSC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C 4014075 HZAJMLKLDMCBQQ-CQSZACIVSA-N 367.467 2.945 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccc(OC(C)C)nc2)[nH]n1 120614313 LAWKTAJTSMQXGY-UHFFFAOYSA-N 368.441 2.539 0 50 FFAA COc1ccc(-n2cccn2)c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c1 72156965 XARHPIJUWLRVHD-KRWDZBQOSA-N 362.433 2.776 0 50 FFAA O=S(=O)(NCc1ccccc1)N(Cc1ccccn1)Cc1ccco1 71747211 YGBXJMAWDZXIIP-UHFFFAOYSA-N 357.435 2.711 0 50 FFAA COc1ccc(N2CCN(C(=O)NCc3ccccc3)[C@@H](C)C2=O)cc1 77564849 YMBMKLXRXSPQSC-HNNXBMFYSA-N 353.422 2.642 0 50 FFAA CCSCCNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 71774847 FCMBRQXROKLFQT-UHFFFAOYSA-N 357.483 2.608 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCC[C@]2(CC1)CNC(=O)O2 72133611 HPLCACSPAKRQSJ-FQEVSTJZSA-N 355.438 2.831 0 50 FFAA c1ccc(OCCN2CCN(Cc3cnc(N4CCCC4)s3)CC2)cc1 72436216 MVKQOBDPQSAGIK-UHFFFAOYSA-N 372.538 2.940 0 50 FFAA CN(CC(=O)O)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 153144822 RTSJYBXZUKHRBA-UHFFFAOYSA-N 358.341 2.914 0 50 FFAA Cn1cc([C@H](NCCc2nnc3n2CCCCC3)c2cccc(F)c2)cn1 154002835 MGCSFFMEVCLPOJ-HXUWFJFHSA-N 368.460 2.799 0 50 FFAA COc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)[C@@H](C)C2=O)cc1 77535753 SXFUZIKIALXABC-AWEZNQCLSA-N 369.421 2.973 0 50 FFAA COc1cc(C(=O)N2CCC[C@H](N)C2)ccc1OCc1csc(C)n1 158332692 PILKUPONFXDVDN-AWEZNQCLSA-N 361.467 2.602 0 50 FFAA CN1CCN(C(=O)c2cnc3c(c2)nc(-c2ccccc2Cl)n3C)CC1 77358893 ACRAPCVFXJXKNL-UHFFFAOYSA-N 369.856 2.676 0 50 FFAA O=C(Cn1ncc2ccccc21)N(Cc1ccccn1)C[C@H]1CCCO1 219144968 XCBVKAYMWCZXBB-GOSISDBHSA-N 350.422 2.639 0 50 FFAA CN1Cc2ccccc2[C@@H](NC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 374342701 VELPOKZVODNRRJ-SFHVURJKSA-N 353.397 2.627 0 50 FFAA CC(=O)N[C@@H](CC(=O)N(C)Cc1cc(C(=O)O)c(C)o1)c1cccs1 262427283 DKPXGJRIFZRTLK-AWEZNQCLSA-N 364.423 2.574 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 72424084 HRAUJUIVILIEOY-GOSISDBHSA-N 358.482 2.521 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cnc2ccccc2c1 219330647 LGFAPRWVFGLYHJ-QZTJIDSGSA-N 369.446 2.795 0 50 FFAA Cc1cc(C)cc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)c1 72457679 YNVDRZJZUUMSAI-LJQANCHMSA-N 370.493 2.981 0 50 FFAA COc1c(F)cc(CN2CCC([C@H](C)N3CCN(C)CC3)CC2)cc1F 77505751 UAVWTRHCKSSWII-HNNXBMFYSA-N 367.484 2.821 0 50 FFAA C[C@](O)(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccco1 173696159 SYTHEIPJKVLRRR-FQEVSTJZSA-N 369.421 2.661 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCCC(N)=O)CCCN1Cc1ccc(F)cc1 72126744 HMAVCBCWKILRCJ-SFHVURJKSA-N 363.477 2.540 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1Cl)C1(c2ccccc2)CCNCC1 238112491 JSPCDKIBQBTTCD-GOSISDBHSA-N 358.869 2.811 0 50 FFAA Cc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc1OCC1CCOCC1 284988974 YFGVXZIPBXSLOD-HNNXBMFYSA-N 370.453 2.662 0 50 FFAA CCN(Cc1ccccc1)C(=O)CNC(=O)N(C)CCc1cccs1 175889237 YUWVNZXADRKTKB-UHFFFAOYSA-N 359.495 2.981 0 50 FFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cnc2c(c1)nnn2C 287123113 WLERXCSIZABXEM-DYVFJYSZSA-N 365.437 2.985 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cc(C(F)(F)F)ccc3C)CC2)no1 223896972 IYHQGSYFXPZYEY-UHFFFAOYSA-N 368.359 2.663 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2 222507466 KMHURZKMNKOBGD-CQSZACIVSA-N 369.465 2.625 0 50 FFAA CC(C)N1CCC[C@H](CNC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)C1 426512359 WSIROEQJUPOQSL-GOSISDBHSA-N 358.530 2.894 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2ccc(F)c(C)c2)cn1 222953208 ONTNBMZPSINSOE-MOPGFXCFSA-N 358.413 2.733 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)N1C[C@@H](N)[C@H](c3ccccc3F)C1)CO2 333339523 XTEXPXFZFLDDMK-JENIJYKNSA-N 354.425 2.872 0 50 FFAA CCc1cnc(C)nc1NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82091694 IANXQUHVIKXMFT-UHFFFAOYSA-N 368.485 2.688 0 50 FFAA COc1cc(F)c(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1F 426628888 WDBSPXSHBMFJSH-UHFFFAOYSA-N 374.387 2.945 0 50 FFAA O=C(c1cscn1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91548791 FGPGLDGAWBKEHZ-OAHLLOKOSA-N 353.451 2.803 0 50 FFAA O=C1[C@H]2CC[C@H](CN(CCOc3ccc(F)cc3)C2)N1Cc1ccccn1 91594933 GQCWNMKNOCMKAW-QFBILLFUSA-N 369.440 2.723 0 50 FFAA CCN(Cc1nc(C(C)C)no1)C(=O)Cn1ccc2ccccc2c1=O 95499067 MSFMWVFAKLYBDT-UHFFFAOYSA-N 354.410 2.557 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCc1nc2ccccc2nc1O 96149663 SHOZHBWAICSRJZ-QGZVFWFLSA-N 367.453 2.696 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@H]1Cc3ccccc3CN1C)CCC2 97729527 LLRYRRJXNBFQDG-HXUWFJFHSA-N 350.462 2.857 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1cc2cc(OC)ccc2n1C 91847804 UADDHANATWBISZ-UHFFFAOYSA-N 353.422 2.871 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 91907203 XMEDYHVZPAKPCP-SFHVURJKSA-N 372.513 2.611 0 50 FFAA CN(Cc1cnn2ccccc12)C[C@@H](c1cccs1)N1CCOCC1 179528019 ZZQSFDZIOGPVME-SFHVURJKSA-N 356.495 2.901 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(CC)no1)CC2 91444777 IAHSULSVGISVQN-UHFFFAOYSA-N 371.485 2.750 0 50 FFAA Cc1ccccc1SCC(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 92045657 ANVPBPHFZPGADX-QZTJIDSGSA-N 362.539 2.640 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccc(Cl)c1 239009530 ATTCJZJEVDBRJI-UXJCHEOYSA-N 370.836 2.704 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)c(O)n1 91934202 KKYCPUBXIIDAQW-SFHVURJKSA-N 354.454 2.920 0 50 FFAA O=C(O)[C@]12CN(CCc3ccc(O)cc3)C[C@H]1CN(C1CCCCC1)C2 96150746 LFKBEDCIDXODDB-UWJYYQICSA-N 358.482 2.586 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c(C)[nH]c3ccc(F)cc13)C2 97773049 UILDLZWVLIIOOD-GOEBONIOSA-N 357.429 2.627 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1 95354828 RNKHHDUNGSHUEQ-SFHVURJKSA-N 363.461 2.977 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H](C(=O)O)C1 299409656 PZDYYVKDECBORB-KTRBRXNASA-N 353.850 2.837 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cc2ccccc2nc1O 299753760 ZFUMTDNEOZKCTF-XYPHTWIQSA-N 354.406 2.727 0 50 FFAA COC[C@@H](NC(=O)N1CCCOc2c(cccc2OC)C1)c1ccccn1 534640769 PQISWVONQUQCDU-QGZVFWFLSA-N 371.437 2.772 0 50 FFAA Cc1cccnc1-c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)C2)cc1 534587249 MRGRCSKYOFYIFU-HXUWFJFHSA-N 364.493 2.519 0 50 FFAA COc1cc(F)c(NC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1F 184910808 AZVVHLBIDRMGDO-LLVKDONJSA-N 350.321 2.788 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1 102259711 HAKQLDKCMJHDHN-NUZBWSBOSA-N 363.435 2.949 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@@H]2CC(=O)OC23CCCC3)cc1 299759985 SGFLIWAWVNAWCQ-INIZCTEOSA-N 369.421 2.577 0 50 FFAA CC(C)n1cnnc1CCNC(=O)c1ccc([C@H](C)N2CCCCC2)o1 299775095 JZUZVQXPYMOAIY-HNNXBMFYSA-N 359.474 2.971 0 50 FFAA O=C(Cn1ccc2ccccc21)N[C@@H]1CCCN(C(=O)c2ccco2)C1 827860802 IOSOMJMEHLWCSE-MRXNPFEDSA-N 351.406 2.655 0 50 FFAA CCc1nc2cc(NC(=O)C3CCN(C(=O)N(C)C)CC3)ccc2n1CC 823582660 WVFTXMAUBKLKIR-UHFFFAOYSA-N 371.485 2.951 0 50 FFAA COc1ccc(-n2nc(CC(N)=O)nc2C(C)(C)c2ccccc2)cc1 824698933 OIGKEYKCYALLMR-UHFFFAOYSA-N 350.422 2.630 0 50 FFAA CSc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565525602 CMIQTIUCBYBVGL-IRXDYDNUSA-N 358.463 2.908 0 50 FFAA COc1cccc(C)c1C(=O)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565514139 BKYFGTRUAHOFQV-BTYIYWSLSA-N 367.401 2.707 0 50 FFAA COc1ccc(CC[C@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 170611146 QJXGEOFZPKFVTL-LIRRHRJNSA-N 353.422 2.721 0 50 FFAA C[C@H]1CN(C(C)(C)CNC(=O)C2(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 170607879 MAKCHCBIKZSOEJ-IYBDPMFKSA-N 358.482 2.654 0 50 FFAA Cc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c2cccnc12 193127388 LEZZCJPECCOLAP-UHFFFAOYSA-N 372.450 2.892 0 50 FFAA O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1COc2ccccc2C1 194356331 ZRYLKLFULZZDSH-AWEZNQCLSA-N 374.824 2.914 0 50 FFAA COc1ccc(-c2nnc(S(=O)(=O)Cc3cccc(C)c3)[nH]2)c(OC)c1 195188790 XGAYGYJBIMFJAW-UHFFFAOYSA-N 373.434 2.771 0 50 FFAA CCCc1noc(CN(C)C(=O)CSc2ccccc2NC(C)=O)n1 1506408137 BVWMMHXQZDBCEJ-UHFFFAOYSA-N 362.455 2.731 0 50 FFAA NCCc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)cc1 1506399019 WGLVMSYZLBGVCN-UHFFFAOYSA-N 365.437 2.622 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](NC(C)=O)C2)c1C 213100511 LLPTXLDPDKIYNQ-UXHICEINSA-N 368.481 2.654 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)CCc2c(C)noc2C)C[C@@H]1C(=O)O 216433335 DPWHHKIHNUNRAM-SJORKVTESA-N 372.421 2.559 0 50 FFAA COc1cc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc2c1OCO2 1772812606 LYYJTHYUAYBJMX-UHFFFAOYSA-N 356.422 2.502 0 50 FFAA Cc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)Cc2cccnc2)CC1 1772704147 MJTHOSRLRVLEHR-UHFFFAOYSA-N 371.868 2.961 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)c(C)c2)c1 5101951 UNMVITNWPGYHIG-UHFFFAOYSA-N 371.389 2.894 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccnn4C)C3)C2)c1 12429505 GNONZIWZKJISQA-NRFANRHFSA-N 352.482 2.857 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12713346 IIVFNULQKYCCCY-ZDUSSCGKSA-N 352.818 2.507 0 50 FFAA O[C@]1(c2ccc3c(c2)OCCO3)C[N+]2=C(SCCC2)N1c1ccccc1 17179601 GEAKLJKMRKXCFE-FQEVSTJZSA-N 369.466 2.629 0 50 FFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)C(C)C)CC2 19842394 PNGKOFRBSKDLNA-UHFFFAOYSA-N 369.465 2.843 0 50 FFAA CC(C)c1nnc([C@]23CC[C@H]2CCN3C(=O)c2cnn(C(C)C)c2N)o1 1857528854 FHDYPBAUQDSIDU-SGTLLEGYSA-N 358.446 2.704 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1nc3c(s1)CCCC3)C[C@H]2O 1857719450 NCXBPJFZBBFHFE-ZQYQINFJSA-N 370.518 2.591 0 50 FFAA COc1ccc(NC(=O)NC(=O)c2ccc(OC)c(OC)c2)cc1OC 638526 QNALIVFXUZNBHR-UHFFFAOYSA-N 360.366 2.683 0 50 FFAA C[C@H](C(=O)N[C@H]1CCOc2c(Cl)cccc21)n1nnnc1C(C)(C)C 331750305 ARTZSPKJYLPAJT-MFKMUULPSA-N 363.849 2.825 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 238069023 BHYNLIPFYAIDHE-LBPRGKRZSA-N 363.801 2.646 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)Cc2ccncc2)cc1 247890995 MULKGKHVMHCFFO-UXHICEINSA-N 365.477 2.756 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@H](c3ccccc3)O[C@H]21 253575971 VGLOFWHLPMVSBF-SRWWVFQWSA-N 370.401 2.955 0 50 FFAA in-vitro C[C@@H](NC(=O)c1cc(Br)ccc1O)c1nnc2n1CCCC2 150972968 OKWHLZGCWMBMOV-SECBINFHSA-N 365.231 2.574 0 50 FFAA O=C(NC1CCOCC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 264317884 SIUVNLMCLTVCIP-UHFFFAOYSA-N 355.442 2.540 0 50 FFAA C[C@H]1C[C@H](N=c2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1 1875280399 CVOZZWQTOSTRQM-SMDDNHRTSA-N 367.496 2.583 0 50 FFAA CCN(C(=O)c1nc(C)c(C)c(N2CC[C@@H](N(C)C)C2)n1)C1CC(C)(C)C1 1875300345 ZRLDPJXTAAPJLW-MRXNPFEDSA-N 373.545 2.884 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC(Cn3cc(C)cn3)CC2)cc1 1875367963 DKLHCMQFYLOZLD-UHFFFAOYSA-N 352.438 2.868 0 50 FFAA CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)NC1=S 1103018 GGXYOXYYLFKONE-YHYXMXQVSA-N 371.256 2.544 0 50 FFAA O=C(NC[C@H]1COC[C@H]1O)c1ccc(Sc2ccc(Cl)cc2)o1 2325762210 NGTWIPGFOQTXMS-GXFFZTMASA-N 353.827 2.821 0 50 FFAA CO[C@@H]1CN(C(=O)C[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@H]2COC[C@@H]12 2325783390 WBMZRLLJUOWVMP-NNXHMXCWSA-N 351.487 2.623 0 50 FFAA Cn1nnc2ccc(CNc3ccc(CN4CCC(O)CC4)cc3)cc21 2325788380 BQXRGTSWFHXLBC-UHFFFAOYSA-N 351.454 2.537 0 50 FFAA CCC[C@](O)(CN1CCC(c2nc(C)c(C(=O)O)[nH]2)CC1)C(F)(F)F 2325790265 AUDZCVLVVGWNKG-HNNXBMFYSA-N 363.380 2.689 0 50 FFAA Cc1cc(C)n(-c2ccc(-c3ccc(CN4CCCNCC4)nn3)cc2)n1 2325796767 JTQLMNDTDIAVOM-UHFFFAOYSA-N 362.481 2.741 0 50 FFAA Cc1cc(Oc2ccc(NC(=O)c3ccnc(C4(N)CC4)n3)cc2)n[nH]1 2325857608 IMKMLOHNEPBZEW-UHFFFAOYSA-N 350.382 2.501 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N[C@@H](CCCO)c2ccccc2)cc1 131250374 YJHUPYMADBFOTE-IBGZPJMESA-N 352.434 2.732 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 753371 TUQPROCBKUHJGY-UHFFFAOYSA-N 354.834 2.990 0 50 FFAA CCOc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 821526 BNQNBNBFYXFCOK-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 1133253 FWGULJOEUKEQKV-LLVKDONJSA-N 354.378 2.579 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 1143635 DQPWMPNODHNALR-MRXNPFEDSA-N 354.406 2.856 0 50 FFAA CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583269 KIOMNBRJPAICIT-QGZVFWFLSA-N 355.390 2.749 0 50 FFAA Cn1c2ccccc2c2nnc(SCC(=O)NCc3ccco3)nc21 2776309 QVQXSQSLKWAIHW-UHFFFAOYSA-N 353.407 2.518 0 50 FFAA O=C(NCCOCCNC(=O)OCc1ccccc1)OCc1ccccc1 4566281 WHDWFMZBTHOBGF-UHFFFAOYSA-N 372.421 2.856 0 50 FFAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccccc2F)CC1 6715150 BBPLRCWDCGCAHS-UHFFFAOYSA-N 356.369 2.615 0 50 FFAA CS(=O)(=O)c1ccccc1CNC(=O)[C@H]1CCCCN1C1CCCC1 412628437 JQTMVHFXCXMYFH-QGZVFWFLSA-N 364.511 2.503 0 50 FFAA Cn1cc(-c2cccc(-c3ccn(CC(=O)NCc4ccco4)n3)c2)cn1 23505559 ZRDZFBCZWQTHSA-UHFFFAOYSA-N 361.405 2.860 0 50 FFAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 226682253 FQDRGOXCAKQSEQ-QJLMEOIESA-N 371.481 2.703 0 50 FFAA CCCc1cncnc1N1CCN(Cc2ccccc2F)[C@@H](CCO)C1 106977444 YVDWXCYXNAULSE-SFHVURJKSA-N 358.461 2.641 0 50 FFAA O=c1n(Cc2cccc(F)c2)nc(C2CCNCC2)n1Cc1ccccc1 67770670 UDGCAVPQYMRULD-UHFFFAOYSA-N 366.440 2.748 0 50 FFAA c1cnc(-n2cccc2CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 20998281 PGLDWTSYVUVFOR-HXUWFJFHSA-N 373.504 2.989 0 50 FFAA CCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)O 25664130 PROMKSSJWWAGTP-VNQPRFMTSA-N 364.442 2.697 0 50 FFAA Cc1cccc2cc(C(=O)NCc3cccnc3N3CCN(C)CC3)oc12 67540223 RXJOUPHZGYYKOJ-UHFFFAOYSA-N 364.449 2.818 0 50 FFAA CN(CCc1ccccn1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67513628 DAOBNYSXZABTGD-JOCHJYFZSA-N 373.541 2.880 0 50 FFAA CC[C@H](C(=O)N1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 65364017 NURQZHXWDSVIHW-CQSZACIVSA-N 374.890 2.516 0 50 FFAA CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4 31494865 IQUGPRHKZNCHGC-TYPHKJRUSA-N 367.401 2.505 0 50 FFAA biogenic,in-vitro CCn1ncc(Br)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 2781095 VMIZWGPNQYJRHD-UHFFFAOYSA-N 357.296 2.705 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 77504453 DQQAINSDNZREPL-LJQANCHMSA-N 360.498 2.864 0 50 FFAA O=C(c1ccc2sccc2c1)N1CCC(C(=O)O)(n2ccnc2)CC1 72457299 SVKNYWIEOQYKAL-UHFFFAOYSA-N 355.419 2.814 0 50 FFAA CCN1CCC[C@@H](CN(C)c2ccnc(C3CC3)n2)[C@@H]1c1cnn(C)c1 328634583 UFJVXKSXZXSZLS-QFBILLFUSA-N 354.502 2.997 0 50 FFAA O=C1CC[C@H]2CN(Cc3cc(F)cc(Cl)c3)CC[C@H]2N1CCCO 72432461 JFYNKZLLLNSUHN-WMLDXEAASA-N 354.853 2.674 0 50 FFAA C[C@H](CC(=O)N1CCN(c2nc3ccccc3s2)CC1)n1ccnc1 72480562 ZAIZXQSPNUPODK-CQSZACIVSA-N 355.467 2.793 0 50 FFAA CN(C)c1cccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 152579608 PDWZZSVKCLKMDZ-FQEVSTJZSA-N 352.438 2.853 0 50 FFAA Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nnc3ccccn23)C1 172555832 GVQNYYVFIZNUCL-ROUUACIJSA-N 366.465 2.657 0 50 FFAA O=C(CCNS(=O)(=O)c1cnc2ccccc2c1)Nc1ccccc1 239667417 BPWKANLJTOFDKB-UHFFFAOYSA-N 355.419 2.542 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@@H](Cn3ccnc3)C2)cc1 72166555 LIYCLZWJMDKWLK-QGZVFWFLSA-N 351.454 2.990 0 50 FFAA O=C(NCC(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1ccccc1 77385149 APBBGXZFUWIYTB-UHFFFAOYSA-N 356.397 2.626 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)c2c(C)noc2n1 262242882 UNRKYFJADQEAGS-HNNXBMFYSA-N 351.362 2.664 0 50 FFAA Cn1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1=O 262756493 JRPVCIZXAKGQGW-INIZCTEOSA-N 356.422 2.629 0 50 FFAA COc1ccc2cc([C@@H]3CN(C(=O)Cn4ccnc4)CCO3)ccc2c1 71748905 MJJNCIKOYQSVCU-IBGZPJMESA-N 351.406 2.645 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 176180230 XIZCICCJIVLPCW-JKSUJKDBSA-N 373.432 2.598 0 50 FFAA COCCN1C[C@H](NC(=O)c2ccccc2Cc2ccc(C)cc2)CC1=O 222908351 UPJHUINQKJLJKI-LJQANCHMSA-N 366.461 2.563 0 50 FFAA CCCN1CCCn2nc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1 82083924 YRBCYLWRKHCPBY-LJQANCHMSA-N 366.509 2.920 0 50 FFAA COCCN(Cc1ccccc1OC)C(=O)N[C@@H](C)c1c(C)n[nH]c1C 426412361 IWDCJLBCSHGFBM-ZDUSSCGKSA-N 360.458 2.954 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@H](C)c4ccccc4)C(=O)[C@H]13)O2 239433216 XJEFGTNFHAWRLF-QVWLALMTSA-N 355.434 2.873 0 50 FFAA Cc1nc(N2CCC(NCCc3ccnn3C)CC2)c2ccsc2n1 96166942 QRWCURRFBOEQPK-UHFFFAOYSA-N 356.499 2.534 0 50 FFAA CCc1cc(C[C@H]2COc3c(cccc3OC)C2)nc(N2CCOCC2)n1 95499750 ZKFMKFJRMBNKTK-HNNXBMFYSA-N 369.465 2.678 0 50 FFAA CCc1nc(CCNC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)no1 96136616 YVMCGKSPNYAGKQ-INIZCTEOSA-N 374.441 2.944 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cnoc3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 95382526 TVNAFJCFKWLLHS-VAMGGRTRSA-N 367.449 2.694 0 50 FFAA COc1ccc(CCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 91288922 BKUSFUHWIBJCDA-JOCHJYFZSA-N 370.493 2.879 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCC(N2CCSCC2)CC1 95380598 ZBRZRLOYKIUNLZ-GOSISDBHSA-N 364.511 2.643 0 50 FFAA Cc1scc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1C 180197314 GRALQUXLIYQOHX-UHFFFAOYSA-N 360.483 2.973 0 50 FFAA Cn1ccnc1SCCNC(=O)CN1CCC(c2ccccc2)CC1 95360400 YEIOSOXFXFMDSH-UHFFFAOYSA-N 358.511 2.508 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCc3nc(C)cc(=O)[nH]3)c2c1 95527938 FHFSGZHRMDRQKH-UHFFFAOYSA-N 350.422 2.524 0 50 FFAA O=C(NC1CC1)c1ccnc(N2CCC[C@@H](OCc3cccnc3)C2)c1 96141695 RGLXMGPXYUGMIG-GOSISDBHSA-N 352.438 2.554 0 50 FFAA C[C@H](NC(=O)[C@@H]1CC[C@H](N)C1)c1cc2c(cc1Br)OCCO2 299739439 OJVDCXZWIZJCLM-AXFHLTTASA-N 369.259 2.525 0 50 FFAA CCCCc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)O)s1 244764120 PBSDJCKHTOJAIH-OAHLLOKOSA-N 350.484 2.646 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 252535843 HAICPGCWFGCPOB-QWQRMKEZSA-N 362.832 2.915 0 50 FFAA CNCc1nnc(SCc2nonc2C)n1-c1cccc(Cl)c1 534656742 RWPAEMSTZFMECH-UHFFFAOYSA-N 350.835 2.624 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N[C@H](C)c2ccc(-n3cncn3)cc2)n1 48187707 LBNGBJWNJSCJTJ-CYBMUJFWSA-N 360.425 2.939 0 50 FFAA O=C(NCCSc1ncn[nH]1)Nc1cccc(NC(=O)C2CCCC2)c1 299773234 BAAKCJAPRBQNEN-UHFFFAOYSA-N 374.470 2.847 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)cc1 299786914 OFBPEHYXXZQWES-CYBMUJFWSA-N 367.409 2.599 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@@H](c4nc(C)no4)C3)c2)n1 299777388 NSLHIDNGMFARJJ-GOSISDBHSA-N 365.437 2.869 0 50 FFAA Cc1c(NC(=O)N2CCC[C@@]3(CCN(C)C3)C2)cccc1C(=O)N(C)C 299796200 NJXAHGDFYZRQPS-FQEVSTJZSA-N 358.486 2.646 0 50 FFAA COc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1C 299788963 XRHXJEUTANFVJJ-UHFFFAOYSA-N 364.453 2.618 0 50 FFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(-c2nc(C)cnc2C)c1 299779317 VALVQVHVCXMGSN-KRWDZBQOSA-N 352.438 2.501 0 50 FFAA O=C1CCCCN1Cc1nc(-c2cccc(F)c2)nn1-c1cccnc1 826621360 MCHOBFDQFJEBAG-UHFFFAOYSA-N 351.385 2.981 0 50 FFAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCC3(CC1)CNC(=O)O3)CC(C)(C)O2 584888185 JTOGCFGMSPKPJE-OAHLLOKOSA-N 373.453 2.881 0 50 FFAA COC[C@H]1CCCN1S(=O)(=O)NCCCc1ccc(C(C)C)cc1 824370964 HNDCGALBQVUBLY-GOSISDBHSA-N 354.516 2.688 0 50 FFAA O[C@@H](CN(Cc1ccccc1)Cc1nnc2n1CCCC2)c1ccco1 267704041 JLNHISWDADLSOC-KRWDZBQOSA-N 352.438 2.943 0 50 FFAA Cc1c(NC(=O)CCN2CCCCCC2=O)cccc1-c1nncn1C 952976220 ZAVYWPMFOOXCIB-UHFFFAOYSA-N 355.442 2.522 0 50 FFAA C[C@H](CNCc1nc(-c2ccccn2)no1)Cc1ccc2c(c1)OCO2 952982087 ZHNXSHJGQRTSMG-ZDUSSCGKSA-N 352.394 2.829 0 50 FFAA COc1ccc(F)c(F)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 952981180 GVPNYZOGIYBSGI-SECBINFHSA-N 362.332 2.969 0 50 FFAA CCc1nc(C)sc1C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565513309 WSOGPOISJUIZRQ-KBPBESRZSA-N 367.496 2.575 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565510133 SZCCWXKSVFSMRO-RISCZKNCSA-N 364.421 2.553 0 50 FFAA O=C(CCn1cccn1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704338097 LYBPWTMKACGLCK-UHFFFAOYSA-N 364.449 2.845 0 50 FFAA Cc1ccc2oc(N3CCCN(C(=O)[C@H]4CCCN(C)C4)CC3)nc2c1 1772817184 LNSARVUJWVCJOU-INIZCTEOSA-N 356.470 2.517 0 50 FFAA COc1ccc(-c2onc(NC[C@@H]3CCCN(C(C)=O)C3)c2C(=O)O)cc1 1772704161 GJWONIIFTNOWHS-ZDUSSCGKSA-N 373.409 2.719 0 50 FFAA CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)C(C)C)CC1=O 14742325 JHOQNHXDDQHBPK-QGZVFWFLSA-N 364.461 2.694 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 14981620 JSXRKUZKFAGCIA-NRFANRHFSA-N 356.466 2.836 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cnn1C 1857671215 AXHKWQRPQKYQEQ-WOJBJXKFSA-N 355.482 2.976 0 50 FFAA C[C@H]1CN(C(=O)c2ccc3sc(=N)[nH]c3c2)CCN1c1ccc(F)cn1 1857673660 XFFRFHVHXARXNU-NSHDSACASA-N 371.441 2.594 0 50 FFAA CC[C@@]1(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)C[C@@H]2CC[C@H]1N2 1857676293 QJVQVFNBMJQUSW-CSODHUTKSA-N 371.529 2.631 0 50 FFAA Cc1cc(CC(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)on1 1857721862 JGLDMEPYPMFGFE-FPOVZHCZSA-N 369.465 2.590 0 50 FFAA Cc1c(C(=O)N2CCC(Cc3ccc(O)nc3)CC2)nc2ccccn12 1857722595 ZQKXCXAJZQLOKY-UHFFFAOYSA-N 350.422 2.838 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C/C=C/c3ccc(F)cc3)C[C@]23CC[C@H]1O3)C1CC1 1857738024 OBNSBVYXBYMDST-VUDNSDODSA-N 370.468 2.845 0 50 FFAA O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1C[C@@H]2OCC[C@@H]2N1 912356948 NETNUJOPSLKVHM-ACRUOGEOSA-N 366.461 2.539 0 50 FFAA O=S(=O)(N[C@H]1CCCN(c2ccncc2Cl)C1)c1cccc(F)c1 301499552 FJJZBOBUJFVMII-ZDUSSCGKSA-N 369.849 2.821 0 50 FFAA Nc1nc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cs1 212654577 AOPNZPXORAZJNH-AEFFLSMTSA-N 370.522 2.781 0 50 FFAA CCC[C@H]1CN(c2nc(SC)ncc2C(=O)OCC)C[C@@H]1N(C)C 219361367 XFVYSLHLACQJTL-JSGCOSHPSA-N 352.504 2.542 0 50 FFAA COc1cc(C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 137541738 HCEGGPSIHGOXTJ-KRWDZBQOSA-N 368.433 2.630 0 50 FFAA CCOc1nc(C)ccc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 252487772 IBLDNGTUOCCXJE-UHFFFAOYSA-N 367.449 2.823 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CCn1c(C)cc3ccccc31)C2 253589882 NZGYSXWTLFMMRJ-ICSRJNTNSA-N 369.509 2.909 0 50 FFAA O=C(c1ocnc1C1CC1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848641 PZQHOIMDDBAPPK-KGLIPLIRSA-N 353.426 2.813 0 50 FFAA CN(C)c1ncc(CN2CCc3nnc(-c4ccc(F)cc4)cc3C2)n1C 952895396 UNWGNKQZZMXJOE-UHFFFAOYSA-N 366.444 2.641 0 50 FFAA Cc1nc(-c2ccccn2)cc(=NCc2cc(OCC(F)F)ccn2)[nH]1 1875257713 KLXGIKYKYKZDJT-UHFFFAOYSA-N 357.364 2.920 0 50 FFAA C[C@@H](N=c1nc(Cc2ccc(F)cc2)[nH]o1)c1ccc2nc(O)[nH]c2c1 1875263155 MZYJBNKRWFQUOY-SNVBAGLBSA-N 353.357 2.976 0 50 FFAA COc1ccc2c(CCNC(=O)c3ccc(=NCC4CC4)[nH]c3)c[nH]c2c1 1875313233 MKGGLRRJLWPIAF-UHFFFAOYSA-N 364.449 2.788 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N[C@@H](c3ccccc3)[C@@H](N)C(C)C)c2n1 1875349282 SKACGCPCFIYXMY-ROUUACIJSA-N 351.454 2.801 0 50 FFAA CCN(CCNC(=O)C1(CC)CCCCC1)c1ncc(C(=O)OC)cn1 1875312370 MBGHKKMANXVCQQ-UHFFFAOYSA-N 362.474 2.566 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@]2(C)C[C@]2(F)Cl)C1 1875383507 WWXWMOMDDGYPAE-DQEVTTJGSA-N 364.848 2.820 0 50 FFAA COc1ccc2c(c1)c(C(=O)NS(C)(=O)=O)c(C)n2Cc1ccccc1 1875391224 FNSMYABHYVRNKZ-UHFFFAOYSA-N 372.446 2.696 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1ncoc1C(F)(F)F)C1CCCCC1 1875385953 GBJQEHOSDVXMNH-NSHDSACASA-N 359.348 2.674 0 50 FFAA Fc1ccccc1OCCc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096495 KALLUGOQESCODA-GUYCJALGSA-N 358.373 2.805 0 50 FFAA COCCN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1 4697936 PQSKPSYLEOYJID-ICSRJNTNSA-N 373.405 2.689 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCn3c(O)nc4ccccc43)C[C@H]2C1 2100554878 FJELVJQUFBICDM-WNKDZCFJSA-N 370.497 2.709 0 50 FFAA COc1ccc([C@@](C)(NC(=O)c2cc(C)nc3onc(C)c23)C(=O)O)cc1 2325726062 HIRJWSJPSPIKEA-LJQANCHMSA-N 369.377 2.578 0 50 FFAA Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(CC2(N)CCC2)nn1 2325772734 WTSMGKBFVDNYCZ-UHFFFAOYSA-N 356.861 2.898 0 50 FFAA CCc1cnc(NC(=O)[C@@H]2CCc3ncc(Br)n3C2)s1 2325792547 QDVZFIYEUMPOQI-MRVPVSSYSA-N 355.261 2.866 0 50 FFAA CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21 2325872879 QETIAKPKUOZFKW-UHFFFAOYSA-N 354.790 2.799 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(O)c(OCC)c1 803052 WSSHEALBTWXNOJ-CYBMUJFWSA-N 354.790 2.635 0 50 FFAA CC(C)CC(=O)N1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1 2356152151 RIVPGCMDGCUFMS-UHFFFAOYSA-N 367.497 2.904 0 50 FFAA CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1O 4502386 MJJWKWOCMOYMQD-UHFFFAOYSA-N 361.452 2.858 0 50 FFAA COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c(OC)c1 10314318 APEGJCYTJUZLFQ-UHFFFAOYSA-N 364.423 2.636 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)CCC(=O)Nc1c(C)cc(C)cc1C 55100032 QGTZBTDKLKCHSH-OAHLLOKOSA-N 357.458 2.819 0 50 FFAA CN1CCN([C@H](c2cccs2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 23116746 ZGHHPRJBTVZHCE-UYAOXDASSA-N 369.490 2.762 0 50 FFAA O=C(c1cnc2ccccn2c1=O)N1CCC(c2nc3ccccc3o2)CC1 58378172 VTLYFKMJLFRSSL-UHFFFAOYSA-N 374.400 2.856 0 50 FFAA CC(C)C[C@@]1(CO)N[C@H](c2cncn2C)[C@@H]2CN(Cc3ccccc3)C[C@@H]21 65497469 ZTZWTECXCPSONW-WAGURGNTSA-N 368.525 2.590 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCCO2 65436208 RVDHHIKDHRXOIA-CQSZACIVSA-N 356.422 2.654 0 50 FFAA COc1ccc(C)cc1-n1c(SCC(=O)O)nnc1C1CCOCC1 65452477 RSNNGAMEFBTAHX-UHFFFAOYSA-N 363.439 2.655 0 50 FFAA c1ccc(-c2nnc3n2CCN(Cc2cccc4nccnc24)CC3)cc1 20601121 NQPVAZJYUUCLBJ-UHFFFAOYSA-N 356.433 2.947 0 50 FFAA COc1ccccc1N1C[C@H](c2nc(-c3cnn(C)c3)c(C)[nH]2)CC1=O 23337281 CLHZHQGSVADVQV-CYBMUJFWSA-N 351.410 2.648 0 50 FFAA NC(=O)c1cncc(N2CCc3onc(-c4cccc5ccccc45)c3C2)n1 67846747 CDVSEGOYAVJVPP-UHFFFAOYSA-N 371.400 2.946 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nc3cc(F)ccc3[nH]1)CO2 176115614 UFSMJMOJNZGPBX-LBPRGKRZSA-N 355.369 2.578 0 50 FFAA O=C(CCN1C(=O)CCC1=O)N[C@@H](Cc1ccccc1)c1ccccc1F 129909781 OKOYRYITIFDZSD-SFHVURJKSA-N 368.408 2.765 0 50 FFAA CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C 55220545 MUEVRUSTQKRHKB-IBGZPJMESA-N 371.481 2.960 0 50 FFAA Cc1nnc(NC(=O)[C@]2(C)CC2(Br)Br)s1 2771526 URNXREVWOAMTDN-ZETCQYMHSA-N 355.055 2.681 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1C 77408368 OYKPYNBXGUYJTH-FQEVSTJZSA-N 358.486 2.609 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CN(C)Cc3ccccn3)C2)c1 77541135 ZFLNBVXPMOVHEL-MRXNPFEDSA-N 369.465 2.547 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2csnc2C)[C@@H]1c1cnn(C)c1 328635765 VBWQXFZPLFFFQN-WMLDXEAASA-N 361.515 2.730 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc3c[nH]nc3c2)n1C 328629481 IHCPKAPFXXMBEA-GOSISDBHSA-N 351.454 2.988 0 50 FFAA CCc1occc1C(=O)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 281971980 LVKSINSCSYZMJD-UHFFFAOYSA-N 356.422 2.757 0 50 FFAA C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)c1ccc(Br)s1 331282203 VNGRSTQEZKSQFE-BDAKNGLRSA-N 354.291 2.670 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)c3ncccc3O)CC2)OC1=O 77379941 KUBHGKPDDDZCQK-UHFFFAOYSA-N 361.442 2.650 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)c2ccc3ccccc3c2)ncn1 77128461 GQQUTVKMBOQTRD-UHFFFAOYSA-N 372.432 2.966 0 50 FFAA Cc1oc(-c2ccco2)nc1CN1CCNC(=O)[C@H]1Cc1ccccc1 39420562 HLGZPCRRLTYTEQ-QGZVFWFLSA-N 351.406 2.786 0 50 FFAA COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCOc2c(F)cccc21 155126097 XARPVNXSGZCAFR-MRXNPFEDSA-N 372.396 2.594 0 50 FFAA Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1NC(=O)c1ccncc1 155702383 WSVQJAPEKSDZQU-OIISXLGYSA-N 351.406 2.692 0 50 FFAA Cc1ccc2cc(CN(C)CCn3ccnc3)c(N3CCOCC3)nc2c1 215429716 VQGNJAWULZTFNW-UHFFFAOYSA-N 365.481 2.708 0 50 FFAA C[C@H](Oc1ccccc1CN1CCCN(Cc2cccnc2)CC1)C(=O)O 72158338 YRVCBRSIFDPUHE-KRWDZBQOSA-N 369.465 2.641 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)CN(CCC(C)C)C(=O)O3)o1 77321179 LNOLWNRZYIAVGV-UHFFFAOYSA-N 350.415 2.761 0 50 FFAA C[C@H]1CC(=O)NCCN1C(=O)CCOc1ccccc1-c1ccccc1 371000868 QYODMXPNICRLRD-INIZCTEOSA-N 352.434 2.860 0 50 FFAA CNCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(CC(C)C)cc3)CC[C@H]21 77343150 VWBBLUHEUOHPJZ-VQTJNVASSA-N 371.525 2.558 0 50 FFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@@]2(CCOC2)C1 157568027 SQNFBZOCMWDWLW-HXUWFJFHSA-N 361.461 2.612 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)NCc1nncn1-c1ccccc1 129066383 YOQAOHURWJDTLJ-UHFFFAOYSA-N 360.421 2.632 0 50 FFAA O=C(Nc1cnc(C2CC2)nc1)N1CCN(c2cc(F)ccc2F)CC1 176974468 QRSVODVNNXENAG-UHFFFAOYSA-N 359.380 2.986 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NC[C@@H]2CCC[C@@H](O)C2)CC1 174459195 KPULLBDIGSBVKN-NVXWUHKLSA-N 361.486 2.514 0 50 FFAA O=C1CC[C@@]2(CCCN(C/C=C/c3ccc(F)cc3)C2)CN1CCCO 82145762 UEUKRYWZUXYWTM-AJNFGNPCSA-N 360.473 2.926 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2nc(-c3ccccc3)no2)n1 48435945 AEORJPYEYVMVGJ-UHFFFAOYSA-N 361.409 2.872 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 136300412 WXARGYIITZDDHS-SDPKAEFJSA-N 368.477 2.591 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 136299327 VLRDYICIAKSQTB-MGBSGCIJSA-N 362.857 2.736 0 50 FFAA CN(C)c1ccc(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cc1 222442007 RNEHTUYWZYDGHK-UXHICEINSA-N 372.440 2.787 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccc3cc(C)oc23)C1 222379872 UDUNJVXJNFRMAZ-OKILXGFUSA-N 354.410 2.521 0 50 FFAA CCC[C@@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C 426434011 IHIGWZSODKVCSX-IBGZPJMESA-N 353.466 2.913 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccccc1Cl)CC2 91713874 PBIMVNZBKDEDPV-KRWDZBQOSA-N 364.873 2.625 0 50 FFAA O=C(NCc1noc(-c2ccccc2)n1)N1CCC[C@@H](Cn2ccnc2)C1 426387327 TXSAJJUCVGGUBL-HNNXBMFYSA-N 366.425 2.555 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2cccc(-c3ccc(OC)nc3)c2)CC1=O 426683981 VVWMXTNNWMSTJC-OAHLLOKOSA-N 367.449 2.698 0 50 FFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccncc1F)CC2 95369068 KLSYKLYCDWGATM-KRWDZBQOSA-N 367.424 2.841 0 50 FFAA Cc1nccn1CCCSc1nnc(CCN)n1-c1ccc(F)cc1 426507875 MQNGCTTVJYEYQH-UHFFFAOYSA-N 360.462 2.595 0 50 FFAA OCCn1nc([C@H](O)c2ccccc2)nc1CCCc1ccc(F)cc1 96180267 NVDKUQFNVOJNCE-LJQANCHMSA-N 355.413 2.667 0 50 FFAA Cc1cccc(O[C@@H](C(=O)N2CCC(CN3CCOCC3)CC2)C(C)C)c1 91444786 SNGCKRGFSJWOIY-OAQYLSRUSA-N 374.525 2.969 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CC[C@@H](CN)C3)c2C)cc1 178571839 CJXNNOQAOBLXJV-IBGZPJMESA-N 354.498 2.596 0 50 FFAA O=C(CSCCN1CCCC1)N1CC(Oc2cccc(Cl)c2)C1 426544576 XVAXTIVSQAEKJB-UHFFFAOYSA-N 354.903 2.759 0 50 FFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1cnc(-c3ccco3)nc1)C2 95384123 IDKROBHLKLKNPF-DYESRHJHSA-N 363.417 2.707 0 50 FFAA Cc1nn(-c2ccccc2)cc1CN1CC[C@H](N(C)C)[C@H](CCCO)C1 92098024 MAXXUEJQPAVPDV-NQIIRXRSSA-N 356.514 2.705 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)nc1)CC2 91602865 SJCJWMBNFUNIJK-UHFFFAOYSA-N 367.497 2.903 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C(=O)O 92061923 XWQBWDUOXUDQES-DLBZAZTESA-N 368.433 2.702 0 50 FFAA O=C(CCOc1ccccc1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91655839 SPXGPSVSHHEWSI-NRFANRHFSA-N 356.466 2.707 0 50 FFAA CC(C)c1nc(CN(C)C(=O)CCCc2nc(-c3cccnc3)no2)no1 91892707 QIKFUTZBHHEASY-UHFFFAOYSA-N 370.413 2.619 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(CC)cc4)C(=O)[C@H]13)O2 239038708 DSFJYNNUZMGTJH-WKRCXCSHSA-N 355.434 2.879 0 50 FFAA CCC[C@@]1(CO)CCCN(C(=O)c2cnc(-c3cccnc3)nc2C)C1 91987606 JHHNFWZPRJXRKT-HXUWFJFHSA-N 354.454 2.862 0 50 FFAA Cc1cc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)nc(-c2ccccc2O)n1 91289096 RVJNJWHXSYYGAI-LJQANCHMSA-N 354.410 2.579 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 95366702 ALTHNEIMBPSYFH-KRWDZBQOSA-N 358.461 2.994 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NCc1nc3c(s1)CCCC3)CC(=O)N2 91997178 CFSOCAUEBIXVSH-CYBMUJFWSA-N 371.462 2.773 0 50 FFAA O=C(CN1CCC[C@H](c2cccc(C(=O)O)c2)C1)NCc1cccs1 95389234 MCHBCVDJJUFIQS-INIZCTEOSA-N 358.463 2.942 0 50 FFAA Cc1c[nH]nc1C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 244700932 JWSBMTFUDRYIQP-UHFFFAOYSA-N 354.454 2.575 0 50 FFAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)NCc1ccc(Cl)cc1 294184567 FNLPREYZKJCXDZ-KBMXLJTQSA-N 350.846 2.674 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(C)s3)CC2)c(C)c1 180413883 XNBZLHYOIYNAHY-UHFFFAOYSA-N 365.524 2.575 0 50 FFAA O=C1CCCN1c1cccc(N2CCC(N3CCN4CCC[C@H]4C3)CC2)c1 244715967 LFXXUSOMMCTJFD-NRFANRHFSA-N 368.525 2.562 0 50 FFAA CC[C@H]1C[C@@H](C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CCO1 183509455 PJEKMUODZUDJSA-WMZOPIPTSA-N 362.445 2.705 0 50 FFAA CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc(Cl)c(C(N)=O)c3)cc2)C1 534584991 ALHWFERVYCBBKI-MRXNPFEDSA-N 371.868 2.882 0 50 FFAA COc1nc2c(cc1CNC(=O)C[C@H]1C=CCC1)C(=O)N(C1CCCC1)C2 71388685 HOZJHKAYNAMZEQ-AWEZNQCLSA-N 369.465 2.961 0 50 FFAA Cc1ccc([C@@H]2C[C@H]2C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 102003186 GUEZMMUCPGOLSC-LSDHHAIUSA-N 351.431 2.867 0 50 FFAA O=C(Nc1c(-c2ccccc2)cnc2ncnn12)c1onc2ncccc12 1940195881 TVUPQHKLCNOVJD-UHFFFAOYSA-N 357.333 2.580 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cscn1)CC2 299793405 GDUDGJPZQBEGFN-DHSIGJKJSA-N 359.451 2.769 0 50 FFAA OC1CCN(c2nc3cc(F)ccc3cc2CNC[C@@H]2CCCO2)CC1 299777615 FIKPAAYOIKREOR-SFHVURJKSA-N 359.445 2.604 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@@H](C)Cn2cncn2)cc1 824668718 AYUDEPRVVQMHQO-INIZCTEOSA-N 365.437 2.547 0 50 FFAA Nc1nc(CCC(=O)N[C@H]2CCCN(Cc3cccs3)C2)cs1 670437116 BBTFAJISSNVLID-LBPRGKRZSA-N 350.513 2.500 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952975562 WIXNTQSACHHIIM-HXUWFJFHSA-N 360.417 2.918 0 50 FFAA O=C(NC[C@H]1COC2(CCCC2)O1)Nc1ccc(C(=O)N2CCCC2)cc1 271502108 FFQPUNMZKZPCPU-KRWDZBQOSA-N 373.453 2.730 0 50 FFAA CC(C)c1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)n1 186078982 KLSGJXOPHBYXHQ-UHFFFAOYSA-N 367.453 2.889 0 50 FFAA Cc1c(CNC(=O)N2CCN(C)[C@H](c3nccn3C)C2)oc2ccccc12 275671111 RAWIZLNJRJMDAN-INIZCTEOSA-N 367.453 2.673 0 50 FFAA CC1(O)CCN(C(=O)NC2CCC(Oc3ncccc3Cl)CC2)CC1 187519198 ALXAOPXXXQKCDE-UHFFFAOYSA-N 367.877 2.981 0 50 FFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@H]3C)cs2)c(OC)c1 189298935 RLDQFMSLAMPLGW-GFCCVEGCSA-N 361.467 2.538 0 50 FFAA Cn1c(=O)ccc2ccc(NC(=O)[C@H]3CC(c4cccc(F)c4)=NO3)cc21 785675835 JLVSWVPAXCUGDI-GOSISDBHSA-N 365.364 2.809 0 50 FFAA O=C(COc1ccc2ccccc2c1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616078199 KASPSAKSCMCZHV-FPOVZHCZSA-N 366.461 2.540 0 50 FFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C(=O)C[C@H]3c3ccccc32)cc1 1848443967 RJBQQSGLYKCWQT-RNQOJCNYSA-N 359.381 2.849 0 50 FFAA O=C(Cc1cccnc1)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12297151 BVHSCXLRPFGVKJ-LJQANCHMSA-N 359.429 2.695 0 50 FFAA O=C(CCc1cccnc1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12307634 WJNJIKUFPTXSHL-LJQANCHMSA-N 365.481 2.569 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)c2ccc(C)nc2O)cn1 12448574 LEOPXJFDYUAWPZ-UHFFFAOYSA-N 350.378 2.916 0 50 FFAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(F)c2)CC1 12574154 AYNYIVDMBIKSNF-AWEZNQCLSA-N 360.429 2.597 0 50 FFAA O=C(c1ncoc1C1CC1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 12591027 OFHJAKXYNRQDSY-FQEVSTJZSA-N 357.454 2.807 0 50 FFAA COc1ccc(CC[C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc1 12759796 IQQYARDKRWAOLS-GOSISDBHSA-N 358.482 2.879 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cnccn2)C1 14979373 QTWJARCSZPOVGZ-KRWDZBQOSA-N 368.481 2.512 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 17056834 MRVGOMGLNMKYGZ-ZDUSSCGKSA-N 359.209 2.811 0 50 FFAA C[C@@H]1CN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CCN1C 19225658 GJWCMXHKNWBWOB-GFCCVEGCSA-N 354.376 2.815 0 50 FFAA O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19335502 IKMVAUXBOXCIJH-UHFFFAOYSA-N 357.385 2.904 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1 19799927 BGGXVHQPLRQNGN-GFCCVEGCSA-N 361.269 2.599 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)s1 169772251 KXELMEDPLOMYLM-UHFFFAOYSA-N 356.373 2.828 0 50 FFAA CCC[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)CCc3ccccc3F)[C@H]2C1 1857530404 PFLXDYVCOHSCSX-RXBWTVHKSA-N 358.457 2.768 0 50 FFAA CN(C)c1ncc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857668405 IOZBCTRYDPVEKN-ZVDOUQERSA-N 352.482 2.501 0 50 FFAA Cc1nc(CC(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cs1 1857715085 AMVRKKDLOZZNGX-BEFAXECRSA-N 367.474 2.604 0 50 FFAA O=C(NC[C@H]1CNCCCO1)N1CCC(c2cccc(Cl)c2)CC1 333863846 SPWIQTPPTZVWCK-QGZVFWFLSA-N 351.878 2.608 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CCNCC1 237762149 CZFRYFGHRVAGSM-MRXNPFEDSA-N 353.869 2.559 0 50 FFAA Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](C(=O)NCC2CC2)C1 154821171 WBAVXSXBIISXJP-GOSISDBHSA-N 352.482 2.919 0 50 FFAA O=C(O)c1ccc(CC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 262948136 CAPOCFVUPIEZTQ-UHFFFAOYSA-N 372.465 2.569 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CSCN1C(=O)C1CCCC1 162280172 OEYOKCCCLAUTEV-CVEARBPZSA-N 366.527 2.686 0 50 FFAA O=C(Nc1cccc2nonc12)[C@H]1CCN(C(=O)OCc2ccccc2)C1 808802744 RHCJDFDWEAGRNF-AWEZNQCLSA-N 366.377 2.820 0 50 FFAA CCn1nnc2c1CC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)C2 1875254567 ZLKPWZYHRXCFPY-LBPRGKRZSA-N 352.360 2.738 0 50 FFAA C[C@@H]1[C@@H](N=c2nc(C3CC3)[nH]s2)CCCN1C(=O)CCc1ccoc1 1875303231 GBGSAKDIWIIUHJ-DOMZBBRYSA-N 360.483 2.855 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)N1CCCc2ccccc21 1875398718 CASUPRTYEQQENN-FDQGKXFDSA-N 374.872 2.838 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N[C@@H](c3ccccc3)[C@H](N)C(C)C)c2n1 1875349280 SKACGCPCFIYXMY-MSOLQXFVSA-N 351.454 2.801 0 50 FFAA CO[C@@]1(c2nnc(-c3cccc(Cn4nc(C)cc4C)c3)o2)CCOC1 886085340 FFMVDAFQMKKYLO-IBGZPJMESA-N 354.410 2.860 0 50 FFAA COc1ccc(CCN2C(=O)O[C@](C)(c3cccnc3)[C@]2(C)O)cc1OC 4709157 FEVQRAGSZFRIIT-UXHICEINSA-N 372.421 2.717 0 50 FFAA CN(C(=O)c1cc(-c2ccccn2)[nH]n1)C1CCN(c2ccncc2)CC1 2325776262 HXDWJNISHLZCJP-UHFFFAOYSA-N 362.437 2.608 0 50 FFAA Cn1cc(-c2ccc(CNC(=O)NCc3ccc(CCO)cc3)cc2)cn1 2325878974 CVVWKAMSZXDWLS-UHFFFAOYSA-N 364.449 2.621 0 50 FFAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 754300 IQTPIYGSTAUKJL-LPHOPBHVSA-N 352.390 2.873 0 50 FFAA biogenic O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 794632 XLQUTUSBPFBIPN-IRXDYDNUSA-N 356.422 2.918 0 50 FFAA CNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 1165925 RQJSSXWYIMPWIU-UHFFFAOYSA-N 352.843 2.666 0 50 FFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 2875973 JPHOZSCMQSMSMB-UHFFFAOYSA-N 368.480 2.705 0 50 FFAA Cn1ncc2ncc(C(=O)N3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)cc21 2356168006 LTVFTJGDDSXDMS-AWEZNQCLSA-N 374.448 2.940 0 50 FFAA CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 4058389 RRBDDFJPMZNFMV-UHFFFAOYSA-N 351.450 2.926 0 50 FFAA O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 4841473 RRTDQRDGIHLMFH-UHFFFAOYSA-N 356.875 2.797 0 50 FFAA COc1ccc([C@H]2CCCN2C(=O)Cn2nc(C(C)(C)C)ccc2=O)cc1 171166170 WGKVRBVSIWDGJW-QGZVFWFLSA-N 369.465 2.913 0 50 FFAA COCCn1cc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)nn1 415494922 WIQCVCWBGBNHKQ-UHFFFAOYSA-N 366.421 2.780 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2COc3ccccc3C2)c2c(C)nn(C)c2n1 25042129 RPBZZUARUCHZBR-CQSZACIVSA-N 350.422 2.566 0 50 FFAA Cc1ccsc1CN(C)C(=O)C1(Oc2cccnc2C)CCNCC1 65385357 HRCJRXHVTZOZIX-UHFFFAOYSA-N 359.495 2.920 0 50 FFAA COc1c2c(cc3c1[C@H](CC(=O)c1ccc(O)cc1)N(C)CC3)OCO2 409413729 GRPGMMXBVAAIPK-HNNXBMFYSA-N 355.390 2.932 0 50 FFAA biogenic COc1ccc(Cl)c(CN2CCN(c3ncc(F)cn3)CC2)c1F 65396552 YMUTYBBADXRRLV-UHFFFAOYSA-N 354.788 2.739 0 50 FFAA Cc1nc(C)c(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)s1 125269909 PSHPCKWONFDFKO-UHFFFAOYSA-N 365.524 2.663 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3ccccc3n2)C[C@@H](C)O1 229687592 SLHVUEMHMODGQL-JFIYKMOQSA-N 353.466 2.949 0 50 FFAA Cc1cccc2c(=O)n(CCC(=O)N3CCCC[C@@H]3c3ncc[nH]3)cnc12 120144684 BHQHJRXCHLXQHJ-MRXNPFEDSA-N 365.437 2.572 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)c2c[nH]nc2-c2cccs2)CC1 72410808 AINQVXSIYDMVIP-UHFFFAOYSA-N 367.478 2.800 0 50 FFAA COc1ccc2cc([C@@H]3CN(c4cc(OC)nc(N)n4)CCO3)ccc2c1 71615180 ATXNKCUHBJXBCD-KRWDZBQOSA-N 366.421 2.807 0 50 FFAA O=C(NCC1CCN(C(=O)C2CC2)CC1)c1cccc([C@H]2CCCNC2)c1 216439839 MVAUENCQBBRNDJ-FQEVSTJZSA-N 369.509 2.532 0 50 FFAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@@H](C)N1 153554724 NOTOAFMIJJYEJC-TXEJJXNPSA-N 369.387 2.655 0 50 FFAA CN1CCN(C[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 77450111 WPSAKPNLFTWYEK-HNNXBMFYSA-N 369.431 2.805 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)on1 72144698 HDEFSIOTUBVHCY-LJQANCHMSA-N 354.450 2.964 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cccc(-n2cccn2)c1 77428260 VQSSUUSBQADSIA-UHFFFAOYSA-N 351.454 2.814 0 50 FFAA CCCN1C(=O)N[C@@H](CC(=O)N2CCC(CCc3ccccc3)CC2)C1=O 77421582 YBCYWUWBDRRCNC-SFHVURJKSA-N 371.481 2.578 0 50 FFAA COc1cccc(C(=O)c2ccc(C(=O)N3C[C@@H](O)C4(CC4)C3)cc2)c1 370020251 NHRCIUBUHQQWEL-GOSISDBHSA-N 351.402 2.523 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 238010095 XQDFXQOHZYEZFP-CQSZACIVSA-N 359.401 2.657 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H]2CCCC[C@H]12 184022793 SCWPZFQLIAEANU-KBAYOESNSA-N 360.502 2.742 0 50 FFAA Cc1cc2nc(C(C)C)cc(N3CCC(O)(CN4CCCC4)CC3)n2n1 72430962 LTLDJYFNRONEFI-UHFFFAOYSA-N 357.502 2.588 0 50 FFAA CNc1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cn1 377788225 XKCHZGKNRXPNQK-GOSISDBHSA-N 359.857 3.363 0 50 FFAA Cc1ccnc(-c2ccc(N[C@@H]3CCCN(c4cnn(C)c4)C3=O)cc2)n1 174102057 WBRPKEWYCQNAGM-GOSISDBHSA-N 362.437 2.793 0 50 FFAA O=C(Nc1ccc(C(F)(F)F)nc1)N1CCN(Cc2ccncc2)CC1 132580096 ZGTSADOKNQVHKJ-UHFFFAOYSA-N 365.359 2.845 0 50 FFAA Cc1nn(C)c(C(=O)Nc2ccc(Cn3cccn3)cc2)c1Br 17076546 FXXAGOGGDULARU-UHFFFAOYSA-N 374.242 2.988 0 50 FFAA C[C@]1(C(=O)O)CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 263482366 UTZKJJINUQBREI-LJQANCHMSA-N 357.410 2.510 0 50 FFAA O=C([C@H]1Cc2ccccc2CN1)N1CCC(c2nccn2CC2CC2)CC1 82150533 DTWBSNZQAURUPT-HXUWFJFHSA-N 364.493 2.714 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CCC(Cc2ccccc2)CC1 426420086 XRBNDLYRQFMEEL-FQEVSTJZSA-N 366.509 2.831 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 290592544 KCTNKTJFKWJXOB-NRFANRHFSA-N 358.482 2.550 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)n2)cc1 239309248 HJKFNKOXHROWOI-KBUPBQIOSA-N 356.403 2.711 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCCN(C)c1ccccc1)C2 92062506 SVHOFKXBAVMUJP-QGZVFWFLSA-N 354.450 2.889 0 50 FFAA CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 91326882 GIMJBFRXYDCVMP-OAHLLOKOSA-N 351.447 2.964 0 50 FFAA CCCOCC(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91305374 XFVUWJPXWURQIA-UHFFFAOYSA-N 358.482 2.844 0 50 FFAA CCOc1cccc([C@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c1 95368116 IDLAQFJHNXWVMN-HXUWFJFHSA-N 369.465 2.814 0 50 FFAA COc1ccnc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95359873 RMBVKDUQNZLXTO-ZDUSSCGKSA-N 356.455 2.571 0 50 FFAA O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 95383653 HDOLYAIKSFBUFM-ZDUSSCGKSA-N 356.401 2.823 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnc(C)nc2)C3)cc1 91441717 HYOYSYPNBINTPB-PKOBYXMFSA-N 366.465 2.530 0 50 FFAA CC(=O)c1cn(CC(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)c2ccccc12 91724785 YWYCKFPGSIHRLL-UXHICEINSA-N 361.445 2.797 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(-c3cccnc3)nc2O)c1C 92045707 KQTQKSDPPZWVAF-LLVKDONJSA-N 366.425 2.568 0 50 FFAA Cc1ccccc1[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1C(=O)O 92081025 YXVHUTSKHUYTLZ-RBUKOAKNSA-N 358.482 2.886 0 50 FFAA Cc1nc(C2CCN(C[C@@H]3CCOc4ccccc4C3)CC2)cc(=O)[nH]1 95498767 GCVMKUGSNXYEJN-MRXNPFEDSA-N 353.466 2.899 0 50 FFAA O=C(Cn1c(C2CC2)nc2ccccc21)NC[C@@H](CO)Cc1ccsc1 97360067 ITQMPDUXUDKPAE-HNNXBMFYSA-N 369.490 2.943 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)[nH]n2)o1 244719112 LXGXIXMWIQQJJY-FHSNZYRGSA-N 352.394 2.615 0 50 FFAA O=C(CN1CCCC[C@@H]1CCn1cccn1)NCCc1ccc(F)cc1 244893090 YVMUFVDXXNZIPL-LJQANCHMSA-N 358.461 2.626 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)c3cnn(CCC(F)(F)F)c3)C2)n1 182322167 IVLPJPWOJCGYRN-LLVKDONJSA-N 357.336 2.547 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@@H](C(=O)O)C3)CCCCC2)cc1OC 299741400 FQXJZCPDMZXGFE-CQSZACIVSA-N 361.438 2.839 0 50 FFAA CC[C@H]1Cc2ccccc2CN1C(=O)NC1CCN(CCN(C)C)CC1 184243836 NZXJHWZTORPJIA-FQEVSTJZSA-N 358.530 2.559 0 50 FFAA O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 534575997 FOTKSVYXBLTHSQ-HNNXBMFYSA-N 362.905 2.656 0 50 FFAA CSCC[C@H](O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 270758232 LKCBGHKAQBMMQC-INIZCTEOSA-N 356.919 2.535 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@H]1CCCN(Cc2cccnc2)C1 299779896 HKZMBHQNLJJXJU-INIZCTEOSA-N 361.392 2.519 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCCN(C(=O)C2CCC2)CC1 299769545 NVDWQIBSSKVLDK-UHFFFAOYSA-N 367.453 2.739 0 50 FFAA COc1ccc(-c2ccccc2)cc1NC(=O)N[C@@H]1C[C@@H](CO)N(C)C1 299757873 KVWAJJWPVLYVDU-SJORKVTESA-N 355.438 2.549 0 50 FFAA CN1CCC(C(=O)NC[C@@H]2CCN(C(C)(C)C)C2)(c2ccccc2)CC1 299781023 OCOYGECWURCWMB-SFHVURJKSA-N 357.542 2.887 0 50 FFAA C[C@H](NC(=O)N1CCCN(c2ncccn2)CC1)c1ccc(F)cc1F 584892036 MPBXSUHUCZSUFH-ZDUSSCGKSA-N 361.396 2.738 0 50 FFAA Cc1cc(C(=O)NCc2n[nH]c3c2CCCCC3)c2c(C)nn(C)c2n1 670445421 JELNKSAEFYUGOG-UHFFFAOYSA-N 352.442 2.507 0 50 FFAA CC(C)(C)c1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)[nH]n1 1076095492 BXQZWHRBESBERC-CVEARBPZSA-N 360.502 2.752 0 50 FFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N(C)CC[C@@H]3CCCCO3)o2)c1C 952966472 UICKRVVIPAKFHA-AWEZNQCLSA-N 367.471 2.866 0 50 FFAA CC(=O)N[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 1565505791 ZPQPYTHCTKAULO-MOPGFXCFSA-N 352.434 2.828 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1nc2ccc(Cl)cc2n1C 275534296 MECBUKYFUFQHEP-YOEHRIQHSA-N 359.861 2.970 0 50 FFAA Cc1cc2ncc(C(=O)N3CCC(Oc4ccncc4C)CC3)c(C)n2n1 278460016 YBUZZMPTOLSBJP-UHFFFAOYSA-N 365.437 2.733 0 50 FFAA COc1ccc(CN2CC[C@@H](NCc3cccc(OC)c3F)C2=O)cc1 192684536 CYIAOKSMYJYWBI-QGZVFWFLSA-N 358.413 2.734 0 50 FFAA Cc1ccn2c(NC(=O)[C@@H](c3ccc(F)cc3)N3CCCCC3)nnc2n1 1529118662 NSPPEMHZJYNGQZ-MRXNPFEDSA-N 368.416 2.738 0 50 FFAA C[C@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccc2c(c1)OCCO2 1704297920 BCWACFGQYFFGMQ-ZDUSSCGKSA-N 354.410 2.657 0 50 FFAA CSCC[C@H](N)C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704344083 JVMXFRJVGNJOBR-INIZCTEOSA-N 373.522 2.639 0 50 FFAA O=C(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1 4750347 IUEZDGHTYJEUOZ-UHFFFAOYSA-N 352.257 2.868 0 50 FFAA COc1cccc(-n2cc(CN(C)C[C@H]3CCC(=O)N(C(C)C)C3)cn2)c1 1772807581 PJFFUXLFYUGXST-QGZVFWFLSA-N 370.497 2.960 0 50 FFAA CCCN1C[C@@H]2CN(CC3COCCOC3)C[C@@]2(CCc2ccccc2)C1 1772807680 RONRACIMOHEXOZ-DHIUTWEWSA-N 372.553 2.926 0 50 FFAA Cc1ccccc1CNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11957464 ADHGZSHTCOHQAM-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA CC(C)CN1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CCC1=O 12570543 HINWLRQZWHCQLO-AWEZNQCLSA-N 352.862 2.824 0 50 FFAA CN(Cc1ccsc1)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 14731275 CAYAQLZASVWSRO-OAHLLOKOSA-N 358.511 2.707 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)ccc21 15328409 PXAXFKYIFJQNIR-LBPRGKRZSA-N 362.426 2.774 0 50 FFAA CSc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCCCC1 16647770 YBXLWIIUVFWTRZ-UHFFFAOYSA-N 370.540 2.969 0 50 FFAA CSc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCCCC1 16649640 PJUZMSZAFZHPIC-UHFFFAOYSA-N 368.524 2.819 0 50 FFAA 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CO[C@@](C)(C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F 192161437 HSPWATGYSJJRJX-ORAYPTAESA-N 360.433 2.533 0 50 FFAA COc1ccc(CN2CCCN(C(=O)[C@@H](OC)c3ccccc3)CC2)cn1 1529185871 RLEJEMWADRHHHE-FQEVSTJZSA-N 369.465 2.512 0 50 FFAA CC(=O)N1CCCC[C@@H]1C(=O)Nc1c(C)cnn1Cc1cccc(C)c1 1529168864 OQDAXIKTOCMGHL-GOSISDBHSA-N 354.454 2.888 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)CN3CCCCCC3)CC1)OCC2 1704298999 LQUAQETYLSAUHD-UHFFFAOYSA-N 372.509 2.962 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccnc(OC)c2)CC1 1704299227 GAGRUMXZMNXPLX-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA COc1cc(-c2onc(N3CCC[C@@H](CCN)C3)c2C(=O)O)ccc1F 1704312691 IPOBFQQBAGZZTO-NSHDSACASA-N 363.389 2.753 0 50 FFAA CC[C@]1(O)CCN(C(=O)Cc2ccccc2OCc2ccccc2)C[C@@H]1O 211951655 ZHHULQZYYGBMND-UNMCSNQZSA-N 369.461 2.542 0 50 FFAA O=S(=O)(Cc1ccccc1CN1C[C@H]2C[C@H](O)C[C@H]2C1)c1ccccc1 1775976838 AFWIEYQWNWUJNZ-PMOLBWCYSA-N 371.502 2.863 0 50 FFAA COc1ccc(Oc2ccc(C(=O)N3CCC([C@H](O)CO)CC3)cc2)cc1 1772709667 IWVPMHBSBNKOSR-HXUWFJFHSA-N 371.433 2.693 0 50 FFAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(C)C1=O 11782289 RVCZPDSMVPYZSO-YCRPNKLZSA-N 372.465 2.503 0 50 FFAA O=S(=O)(c1cccs1)N1CCC(CO)(Cc2cccc(F)c2)CC1 11817205 YOFOCRPHAMCJCC-UHFFFAOYSA-N 369.483 2.893 0 50 FFAA COc1cccc(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)c1OC 11874522 QXJBMMVCNCZPAG-MRXNPFEDSA-N 359.397 2.927 0 50 FFAA CC(C)(C)NC(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl 12003666 JDGLWIYPNHILOY-UHFFFAOYSA-N 372.874 2.571 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1cscn1 12430016 SQJZBVORRLPXDI-MRXNPFEDSA-N 367.434 2.572 0 50 FFAA COc1ccc(CN2CCC(=O)N(CCN3CCCCC3)CC2)c(C)c1C 12508571 JOURYLYBUHRVGP-UHFFFAOYSA-N 373.541 2.832 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 12580455 ZPDFFVMGJJXWMV-FQEVSTJZSA-N 353.418 2.738 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 19226379 WWXBMDXAXIVZHY-INIZCTEOSA-N 354.926 2.583 0 50 FFAA COc1ccc(N2C(=O)C(=CNC3CC3)c3ccccc3C2=O)cc1OC 1857532656 MSVGVCZFLWJBTO-UHFFFAOYSA-N 364.401 2.984 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857706677 ZZAQAVNKUUGOFT-UHFFFAOYSA-N 359.433 2.985 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)o1 1857734500 UIACMSGQOWYISY-JRBPQWBISA-N 356.422 2.590 0 50 FFAA Cc1ccc(N2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)nc1 1875245004 GDFRSCYNUFYNRV-TVKQPGBESA-N 369.490 2.865 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1-c1nc[nH]n1)C2 248252692 JONRGZHGYPBPQG-IRXDYDNUSA-N 365.481 2.974 0 50 FFAA COCCCn1c(-c2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 253397750 AMLKPVDLTHJZIP-KRWDZBQOSA-N 371.485 2.630 0 50 FFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1c1cccs1 152936593 FTMWDOARNHSZHD-STQMWFEESA-N 361.471 2.868 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)nnn1-c1ccccc1Cl 363395560 KYWLSVLLUWLDIA-HNNXBMFYSA-N 373.888 2.930 0 50 FFAA Cc1cnccc1CCNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 164003205 BGACBZZUKAAAKK-IBGZPJMESA-N 366.465 2.770 0 50 FFAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccoc1CC(=O)O 911399057 MYHMFNMJFVAKMI-MRXNPFEDSA-N 363.385 2.878 0 50 FFAA NC[C@H](C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1)c1ccccc1Cl 1875291232 RWVVKRCNSICFSO-RDJZCZTQSA-N 374.868 2.975 0 50 FFAA CCCN(CC(=O)NC)C(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1 1875282568 JYFOJRGKLCIWIR-UHFFFAOYSA-N 350.422 2.828 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)NCc3ncc(C(F)F)cn3)c2O1 1875299348 IJPMVZUXKCDHMA-UHFFFAOYSA-N 369.393 2.606 0 50 FFAA N[C@]1(CO)CCCN(C(=O)[C@H](CCc2ccccc2)Cc2ccccc2)C1 1875276659 MQYUYKGHDLVLEA-FYYLOGMGSA-N 366.505 2.790 0 50 FFAA C[C@@H](C(=O)NC[C@@H](O)c1ccc(F)cc1F)n1ccc(C(F)(F)F)n1 1875269498 INFMZHMVSDTRCQ-QPUJVOFHSA-N 363.286 2.591 0 50 FFAA CN(CC1CC(C)(C)C1)[C@H]1CCN(C(=O)Cc2n[nH]c3c2CCCC3)C1 1875333632 FIVBSHGUGJATOS-INIZCTEOSA-N 358.530 2.800 0 50 FFAA Cc1nocc1CN1CC[C@](C)(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)C1 1875407089 SKOXFAGLMQXHNJ-XCJLJZCSSA-N 351.450 2.650 0 50 FFAA Cc1cnc([C@H](C)N2CCC3(CCN(C(=O)c4n[nH]cc4C)CC3)C2)o1 1875406548 GXFLBXYMTGGLOL-HNNXBMFYSA-N 357.458 2.704 0 50 FFAA Cc1nnccc1C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)CCC1(C)CC1 1875407195 UVAADDRFRDAXDS-HNNXBMFYSA-N 358.486 2.722 0 50 FFAA Cc1nsc(N2CC3(CCN(C(=O)c4ccc[nH]4)CC3)[C@@H]2C(C)C)n1 1875407638 FIRAJGIEJJDITF-HNNXBMFYSA-N 359.499 2.942 0 50 FFAA CC1(C(=O)NC[C@@H]2CCN(c3ncc(F)cn3)CCC2(F)F)CCC1 1875408379 UWRGTDGXWQWTRE-LBPRGKRZSA-N 356.392 2.774 0 50 FFAA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@H]2c1ccccc1F 4708478 TVVRPFGMXGBTRE-LBPRGKRZSA-N 362.364 2.799 0 50 FFAA O=C(NCC12CC(C1)C2)C1(c2ccc(Br)cc2)CCNCC1 2325778637 HPHAOENGENLJIS-UHFFFAOYSA-N 363.299 2.987 0 50 FFAA COc1cccc(OC)c1C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 849955 MBUBIJCMTJNDOL-UHFFFAOYSA-N 374.481 2.959 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)C1=O 2356167808 CQMDAHTWLZIKJE-OAQYLSRUSA-N 366.465 2.527 0 50 FFAA Cc1cccc(C)c1-n1nnnc1S(=O)(=O)Cc1ccccc1Cl 2857417 GUOPMMJQELJQJM-UHFFFAOYSA-N 362.842 2.906 0 50 FFAA NC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cs1 6681493 FNFJXKASWFJROZ-UHFFFAOYSA-N 350.343 2.667 0 50 FFAA CN1CCN(Cc2cc(F)ccc2C(F)(F)F)C[C@@]12CCNC(=O)CC2 107407176 UYWBVYRBDKIIRV-QGZVFWFLSA-N 373.394 2.631 0 50 FFAA O=C(Nc1c[nH]nc1-c1nccs1)c1ccc(Cn2ccccc2=O)o1 225569367 BZIXCLVGVWMWRG-UHFFFAOYSA-N 367.390 2.589 0 50 FFAA COc1ccc(OCc2cc(C(=O)NC[C@H]3CCCO3)no2)c(Cl)c1 67920259 RUNVQTXILKRUDL-GFCCVEGCSA-N 366.801 2.824 0 50 FFAA CC(C)N(CCO)Cc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 67432005 LZKRDFRTCDWUNY-UHFFFAOYSA-N 360.483 2.871 0 50 FFAA Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)c2cc(N)[nH]n2)cc1 67919837 QOTGWLRPVQZPQK-UHFFFAOYSA-N 364.405 2.872 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C1 2808146 YODIWAXGTPNYGH-SECBINFHSA-N 351.255 2.604 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cc1OC 77504817 JTUOSFBXUJVUQX-QGZVFWFLSA-N 356.422 2.920 0 50 FFAA CN1CC[C@@H](CNCc2ccccc2N2CCOCC2)[C@@H]1c1cccnc1 328622850 BNLKTDWOYQMZOJ-UNMCSNQZSA-N 366.509 2.701 0 50 FFAA Cc1cc(F)ccc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 230018470 VWIJDMDKZYCIFX-OFQRWUPVSA-N 351.447 2.798 0 50 FFAA COc1c(C)cnc(CN2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C 72126362 BMUQMQUEXQQFEU-QGZVFWFLSA-N 353.466 2.871 0 50 FFAA COC(=O)c1ccnc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 71771803 KTXGAWNVZZICDZ-HNNXBMFYSA-N 354.406 2.976 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1c1ccc(C)cc1 77470835 BKVUNWIWMQONSO-LEWJYISDSA-N 366.461 2.895 0 50 FFAA CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1OCCc2ccccc21 153396749 OYLOPLMVTNQOQB-FQEVSTJZSA-N 354.450 2.596 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 77407842 KJSIHUMMMCIGNY-QGZVFWFLSA-N 366.465 2.755 0 50 FFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OC)c2OC)N1 35623190 CTXHTRWRNKBGGX-WMZOPIPTSA-N 366.417 2.962 0 50 FFAA biogenic,in-vitro Cc1cc(C)nc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1 72409329 ICUZXTBOTUVTOL-UHFFFAOYSA-N 357.458 2.668 0 50 FFAA O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@]12CCOC2 375989772 JANODLIETLNCJB-LJQANCHMSA-N 372.446 2.863 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)c1 215134950 CEMNDRDEIVNMPA-OAHLLOKOSA-N 352.442 2.687 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)c1=O 71765306 ADIBRSQVCFMDFB-GOSISDBHSA-N 372.440 2.708 0 50 FFAA CC[C@H]1CN(C(=O)CCCc2cn[nH]c2)CCC(=O)N1Cc1ccccc1 71746520 FTQHWDXXKMMKAA-IBGZPJMESA-N 368.481 2.772 0 50 FFAA O=C(c1cc(O)nc(C2CC2)c1)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 333569007 MEXAZEPSCZBZFD-GASCZTMLSA-N 374.343 2.607 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCCC[C@H]3CCC(=O)O)n2)cc1 237510968 JLYBRLYIGVKDOY-AWEZNQCLSA-N 357.410 2.740 0 50 FFAA CCCn1nccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71639750 FCZVNJSHYKCICG-CEWLAPEOSA-N 364.493 2.996 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c(Cl)c1 379293128 WEELZSLDGLMZNM-JOYOIKCWSA-N 356.797 2.691 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCCN(Cc4cccs4)CC3)cc2n1 77408420 GLTDOOZSRYGECJ-UHFFFAOYSA-N 369.494 2.756 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3[nH]1)C2 223843510 KMTLWOQMNZDWHT-SFHVURJKSA-N 367.453 2.568 0 50 FFAA Cc1noc(CCCNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 287218544 DHLWVQALIOFHDN-KURKYZTESA-N 370.453 2.525 0 50 FFAA O=C(N[C@H](CCn1cncn1)c1ccccc1)C1(N2CCCC2)CCCC1 223955258 ORGJOPXWJTVHJI-LJQANCHMSA-N 367.497 2.934 0 50 FFAA O=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1 19787514 BCHOWFWXCXJAQC-UHFFFAOYSA-N 367.287 2.915 0 50 FFAA O=C(N1CCOCC1)N1CCc2[nH]nc(CSc3ccccc3)c2C1 82039588 VBTUDQCVSGVFEW-UHFFFAOYSA-N 358.467 2.512 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 426597196 IPIRGLSUSOGXKP-INIZCTEOSA-N 370.497 2.582 0 50 FFAA O=S(=O)(N[C@H]1CCCCN(Cc2ccccn2)C1)c1ccccc1F 82092388 PNCALAMYKKOEMI-INIZCTEOSA-N 363.458 2.554 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)C1 179014921 LZUYLFXUCGWFCC-KRWDZBQOSA-N 353.466 2.959 0 50 FFAA CCCCn1nc(CCSC)nc1-c1ccc2c(=O)n(C)cnc2c1 96139687 DNFYUZPNQBGLJT-UHFFFAOYSA-N 357.483 2.898 0 50 FFAA Cc1n[nH]c([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 97729711 UFHZJSRNGXUSFH-SNVBAGLBSA-N 351.313 2.804 0 50 FFAA COC(=O)c1cc(NC(=O)N(C)CCCc2cnn(C)c2)ccc1Cl 95497137 QPZPSNMIBQYOLZ-UHFFFAOYSA-N 364.833 2.957 0 50 FFAA COc1cccc(-c2cc(C(=O)N(C)CCc3noc(C4CC4)n3)[nH]n2)c1 91551290 AXSXUBOTUINBNN-UHFFFAOYSA-N 367.409 2.660 0 50 FFAA CC(=O)c1cc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cs1 91780640 IVWPVAKZTKYCGS-UHFFFAOYSA-N 372.494 2.570 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 95498403 PJTXOYZKKOWICI-MRXNPFEDSA-N 354.337 2.613 0 50 FFAA COc1ccccc1CN1CCN(c2nc3c(s2)c(C)nn3C)CC1 95509345 QSEHZCWNCVGPJP-UHFFFAOYSA-N 357.483 2.669 0 50 FFAA Cn1ccc2ccc(C(=O)N[C@@H](CCOCc3ccccc3)C(=O)O)cc21 95505094 NZOQKBYAADFLFS-SFHVURJKSA-N 366.417 2.968 0 50 FFAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3Cc4ccccc4C3)ccc21 95353888 ZKSMPKFXDTYLBU-UHFFFAOYSA-N 362.433 2.566 0 50 FFAA Cc1cccc(OC2CN(C(=O)CCn3c(CO)nc4ccccc43)C2)c1 95365610 JQNHPQGDGQMKGK-UHFFFAOYSA-N 365.433 2.517 0 50 FFAA CN(C)[C@H](C(=O)NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1F 91746428 MWAFGIIGLMXQLN-SFHVURJKSA-N 358.392 2.803 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cnc(C)nc2C)CC1(C)C 91411619 RARQVZMEIUAWHA-UHFFFAOYSA-N 354.454 2.843 0 50 FFAA CCc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc1 95530823 JNQSQOHLTNPJNA-MAUKXSAKSA-N 356.495 2.724 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc[nH]c2C)CC1 95499083 MOFVEYGQBNKUJG-SFHVURJKSA-N 374.529 2.556 0 50 FFAA COc1ccc(NC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cn1 96151531 JIGXTZMPHCYGFN-UHFFFAOYSA-N 355.320 2.572 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc(N2CCOCC2)cc1 244840234 UJHVCEJSFMWOTB-UHFFFAOYSA-N 368.481 2.787 0 50 FFAA O=C(O)c1cnn2cc(CN3CCC4(C=Cc5ccccc54)CC3)cnc12 244873405 WPWUKKJXFMDZIO-UHFFFAOYSA-N 360.417 2.988 0 50 FFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)N3CC(N4CCCCC4)C3)n2)c1 534661916 GRVCRPNAIPWTDQ-OAHLLOKOSA-N 369.469 2.986 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc2c(c1)CCCO2 299757691 IWHQSYCFVVQEOA-UHFFFAOYSA-N 357.454 2.651 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1 299782322 PMGXDBMEVWLWAE-OAHLLOKOSA-N 363.421 2.617 0 50 FFAA CCCc1nc(CNC(=O)C(C)(C)NC(=O)c2cccs2)cs1 299766492 OPFXYVXILYVWRV-UHFFFAOYSA-N 351.497 2.982 0 50 FFAA Nc1nc(CCC(=O)NCC2(c3cccc(F)c3)CCOCC2)cs1 299796135 OAKDMFFTUCFZKX-UHFFFAOYSA-N 363.458 2.662 0 50 FFAA CN(CC1CCN(CCO)CC1)C(=O)NC1(c2ccccc2Cl)CC1 584890985 OQRXPDHIVIPNHV-UHFFFAOYSA-N 365.905 2.675 0 50 FFAA COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(OC)c3)C2)c1 408525670 PPTJPGSSBFHTFA-SFHVURJKSA-N 360.435 2.815 0 50 FFAA O=C(O)c1csc(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 191372691 BSRMWFZUQOCFLV-CYBMUJFWSA-N 358.419 2.937 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H](C)SC)CC1)OCC2 1704344426 NNQBQDJKGWTBNF-CYBMUJFWSA-N 365.495 2.846 0 50 FFAA CCOCCC(=O)N1CCCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)CC1 1772706223 VWVUEOZAPIIHEE-HNNXBMFYSA-N 366.889 2.931 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2COCC[C@]2(CO)C1 1772708372 GQLGVRGUXXDDPD-IIBYNOLFSA-N 371.433 2.638 0 50 FFAA O=C(c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1)N1CCC[C@H]1CO 12305430 PGJXTDWHQBIHGV-ZDUSSCGKSA-N 369.343 2.604 0 50 FFAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cc[nH]n2)CC1 12316538 HGZBFLNDNWVBHS-UHFFFAOYSA-N 357.454 2.806 0 50 FFAA O=C(NCc1scnc1-c1ccccc1)[C@@H]1CCC(=O)N(C2CC2)C1 12597610 QPBBRUHQCSJBAS-CQSZACIVSA-N 355.463 2.827 0 50 FFAA COc1cc(N2CC[C@]3(CCCN(Cc4cccc(C)c4)C3=O)C2)ncn1 12751845 VFQILCLMXNPFHG-OAQYLSRUSA-N 366.465 2.813 0 50 FFAA N[C@H]1C[C@@H](O)CN(Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 1857672940 ALCLRQXVCYYAKE-LSDHHAIUSA-N 364.848 2.952 0 50 FFAA O=C(O)[C@H]1CN(CC2CC2)CC12CCN(Cc1nc3ccccc3[nH]1)CC2 1857684997 MVSGNZFSIDVEBU-MRXNPFEDSA-N 368.481 2.572 0 50 FFAA Cc1cc2[nH]c(CN3C[C@H](C(C)C)O[C@H](c4ccccc4)C3)cc(=O)n2n1 1875246503 AFWQIHAJWJLBHY-MOPGFXCFSA-N 366.465 2.929 0 50 FFAA CCC(C)(C)CC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 330926534 ISLVFBVQCZKUHL-UHFFFAOYSA-N 366.527 2.923 0 50 FFAA Cc1cc(C)cc(-n2nc(C(=O)NC(C)(C)CN3CCOCC3)cc2C)c1 331687766 SNAQXHFRULWQCO-UHFFFAOYSA-N 370.497 2.638 0 50 FFAA Cc1c(S(=O)(=O)N2CCCc3c2cccc3C(F)(F)F)cnn1C 331971367 KZCLMGGJGOWZBE-UHFFFAOYSA-N 359.373 2.889 0 50 FFAA CCOC(=O)c1nn(CC)c2c1CN(Cc1nc3ccccc3[nH]1)CC2 14540837 UFOHJKMVLKMHAX-UHFFFAOYSA-N 353.426 2.514 0 50 FFAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)[nH]n1 162939496 HFPPSUMHAPXGBJ-LLVKDONJSA-N 351.428 2.901 0 50 FFAA O=C(c1ccoc1C1CC1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818494071 GCUKUKWDKAMQHX-IBGZPJMESA-N 357.410 2.627 0 50 FFAA CC[C@](CNC(=O)c1cccc2c1COCC2)(C(=O)O)c1ccccc1 952886720 BSKANYCRYHVYPN-OAQYLSRUSA-N 353.418 2.922 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccccc1-n1ccnc1 1875314870 XPVRSCGDJMETHW-KGLIPLIRSA-N 365.437 2.558 0 50 FFAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NC3CCC(=C4CCC4)CC3)C2)c1 1875398535 UXIGWVXHBWDKLE-MJXNMMHHSA-N 359.470 2.734 0 50 FFAA Cn1ncc(C(=O)NC[C@@H](N)c2ccc(F)cc2F)c1Cc1ccccc1 1875357935 CAUZAIMIMDFBLV-GOSISDBHSA-N 370.403 2.719 0 50 FFAA CO[C@@H]1CN(Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H]1c1cn(C)nn1 886093899 KBWRNDPJQQIPJA-QFBILLFUSA-N 356.470 2.533 0 50 FFAA CC(=O)N1C[C@@H](Nc2nc(O)c3ccccc3n2)CC[C@@H]1C(F)(F)F 886038308 WCELGSKXQIWNCU-GXFFZTMASA-N 354.332 2.689 0 50 FFAA Cn1cnnc1C[C@@]1(O)CCCN(CCc2ccc3ccccc3c2)C1 888076990 BIOALSVCKCMTNN-NRFANRHFSA-N 350.466 2.580 0 50 FFAA Cn1c(CNC(=O)N2CCC[C@](C)(CO)C2)nc2cccc(Cl)c21 1320719341 DOYQKVMGRGUYRQ-KRWDZBQOSA-N 350.850 2.531 0 50 FFAA CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C[C@@H](C(=O)O)O1 2325812973 YRGGMWMEUQLVMY-SCRDCRAPSA-N 371.355 2.900 0 50 FFAA Cc1ccnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 624973 AIOHHSGBRWYMEE-UHFFFAOYSA-N 362.886 2.879 0 50 FFAA Cc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 1099349 QOOSWHYCRSNUOM-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)cc2)cc1 1113713 ZODVOTYLQWPDTG-UHFFFAOYSA-N 359.386 2.541 0 50 FFAA Cc1nc(N2CCc3nc(-c4ccccc4)nn3CC2)c2cccnc2n1 2356136669 DNVVTRBQMCKAHN-UHFFFAOYSA-N 357.421 2.654 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)Cc2cc(F)cc(F)c2)C1=O 2356139038 KVOITVFJFHTWDI-IBGZPJMESA-N 350.409 2.901 0 50 FFAA CN1CCc2ccc(C(=O)N3CCC4(CC3)OCCc3ccsc34)nc21 2356141254 ZTCVFTKVGWCYEQ-UHFFFAOYSA-N 369.490 2.840 0 50 FFAA COC(=O)c1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)OC(C)C)c1C 2763247 HABTWQJECZDRGK-JTQLQIEISA-N 355.412 2.526 0 50 FFAA CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 4195903 MUFQVGCDGCAGIX-MRXNPFEDSA-N 371.524 2.542 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccccc2)CC1 4748873 ITIGDTYIIBMCPD-QGZVFWFLSA-N 355.482 2.516 0 50 FFAA C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 6087606 QFKYSQQZFNUVSM-CHWSQXEVSA-N 359.495 2.841 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)CCC(=O)NC2CCCCCCC2)C1 55401681 UYHDSVJUUPPGJO-SFHVURJKSA-N 351.535 2.938 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 10544008 AEHVMHFHDPUJSZ-IYBDPMFKSA-N 354.516 2.732 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)cc1 24609509 YNMULBWSBHHWTM-UHFFFAOYSA-N 364.511 2.596 0 50 FFAA Cc1oc(-c2cccs2)nc1CN1CCC(Cn2cc(CN)nn2)CC1 23581681 LQBZPAXLMSCJTG-UHFFFAOYSA-N 372.498 2.674 0 50 FFAA Cc1nc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C2CCNCC2)n1 67562825 BKTZJQHJIDMNPA-ZDUSSCGKSA-N 374.510 2.829 0 50 FFAA O=S(=O)(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 6885449 NNPIHMDFWZGSHV-UHFFFAOYSA-N 359.835 2.659 0 50 FFAA CCN1CCO[C@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)C1 469088066 WBRUQBJSXJWKSS-FQEVSTJZSA-N 374.481 2.797 0 50 FFAA Cc1ccc2nc3c(n2c1)[C@H](c1cc2cccc(C)c2[nH]c1=O)CC(=O)NC3 65403344 HPUAYIMDLRUUAX-HNNXBMFYSA-N 372.428 2.944 0 50 FFAA COc1cc(F)c(CN2CCN(c3ncc(Cl)cn3)CC2)c(F)c1 65409806 XIJCIZNBFCTVCC-UHFFFAOYSA-N 354.788 2.739 0 50 FFAA Cc1c(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cnn1C1CCCC1 137579244 QKEBNQRCGTVIHG-ZDUSSCGKSA-N 358.408 2.921 0 50 FFAA Cc1ccccc1CNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 20237602 QBKQLLWQQGVJRC-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA CCn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)n[nH]c1=O 67758143 ISSSPTDKUZXDHH-UHFFFAOYSA-N 365.437 2.606 0 50 FFAA Cc1noc(C2CCN(C(=O)NC[C@@]3(N(C)C)CCC[C@H](C)C3)CC2)n1 141081934 LEWJRYOIHMEXOZ-IFXJQAMLSA-N 363.506 2.778 0 50 FFAA COc1cc(NC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c(C)cc1C 280419953 CZIDWCYPXMMPBF-MRXNPFEDSA-N 357.458 2.566 0 50 FFAA COc1cccc(CCCNC(=O)c2ccccc2N2CCOCC2)c1 66434239 CSWDBXFIWZEUTI-UHFFFAOYSA-N 354.450 2.894 0 50 FFAA CCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1N 869872 SIJZQAQBCYQICX-UHFFFAOYSA-N 361.199 2.918 0 50 FFAA CCOC(=O)[C@@](O)(CC(=O)Nc1cccc(Cl)c1C)C(F)(F)F 2770574 NJDHTNOBLSJEFC-ZDUSSCGKSA-N 353.724 2.834 0 50 FFAA Cc1c(Br)c(C(=O)N[C@H](C)CN(C(C)C)C(C)C)nn1C 2780836 HEPLMUMWNJRJQM-LLVKDONJSA-N 359.312 2.728 0 50 FFAA CNc1nc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1 72436658 ITBLMPROOPBWMR-UHFFFAOYSA-N 372.498 2.595 0 50 FFAA CC(C)c1ccc(OCCN(C)C(=O)[C@H]2CC3(CCNCC3)CN2C)cc1 72478913 QJUASXFGBAJNRU-HXUWFJFHSA-N 373.541 2.721 0 50 FFAA O[C@H]1[C@H](NCc2cc(-c3ccccc3)n[nH]2)c2ccccc2C12CCNCC2 72174593 NNRKBBLLKMYYQG-YADHBBJMSA-N 374.488 2.903 0 50 FFAA O=C(NC1CCOCC1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 172026868 XBGWYHSQPOYTLP-MRXNPFEDSA-N 371.403 2.758 0 50 FFAA COC(=O)c1c(NC(=S)N2CCOCC2)sc2c1CC[C@H](C)C2 6202326 HRJMSSYOFFVKMO-JTQLQIEISA-N 354.497 2.689 0 50 FFAA c1ccc2c(c1)CCO[C@@H]2CNc1nc(C2CC2)nc2c1CCNCC2 72435158 LMHSZHAPGZUSOG-LJQANCHMSA-N 350.466 2.768 0 50 FFAA COc1cc(CC2CN(C(=O)C[C@H](O)c3ccccc3)C2)cc(OC)c1 360417412 BUCBNMDJSQBEIE-FQEVSTJZSA-N 355.434 2.828 0 50 FFAA COc1ccccc1CN1C[C@H](C(=O)NCc2csc(C)n2)CCC1=O 11843337 KRTXOBWRDBNHSY-OAHLLOKOSA-N 373.478 2.515 0 50 FFAA NC(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 363177653 WPXLWLNUXDEGLH-UHFFFAOYSA-N 370.428 2.711 0 50 FFAA CNc1nc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)cs1 77344269 WIHSXYHJNJEJCD-UHFFFAOYSA-N 360.483 2.934 0 50 FFAA CCc1cnc(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)s1 125741844 SFUXAESFKRCZIF-UHFFFAOYSA-N 365.524 2.609 0 50 FFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cnn(C)c2C)cc1 215623053 GKZDUPRTZYWJNV-SFHVURJKSA-N 357.454 2.601 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 215083406 RFKHWKGARLUVPU-FQEVSTJZSA-N 374.868 2.606 0 50 FFAA Cn1ccnc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72462726 BYWXIJUTWIWWMW-DOTOQJQBSA-N 358.511 2.537 0 50 FFAA C[C@@H](C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1cccs1 157109585 PTGPEKLIFZUJCH-CYBMUJFWSA-N 368.462 2.713 0 50 FFAA O=C(CCCc1nc(C2CC2)no1)N1CC[C@](O)(c2ccc(F)cc2)C1 371558731 BEJDBIOAZWHJGK-LJQANCHMSA-N 359.401 2.529 0 50 FFAA CCn1ccnc1[C@@H](NCc1c(C)nn(C)c1Cl)C1CCOCC1 284469616 ASHWWFRDQFIRBE-HNNXBMFYSA-N 351.882 2.856 0 50 FFAA CCc1ncc(C(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)cn1 72145857 DJCMXVGQOCRTRR-SFHVURJKSA-N 374.444 2.723 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCOc2cccc(F)c2C1 374963937 HUBJOTQEMXGIBX-UHFFFAOYSA-N 356.357 2.557 0 50 FFAA C[C@H]1CN(C(=O)[C@@H]2CCCc3sc(Nc4ccccc4)nc32)CCO1 333578570 QZRUNUQIVQUQQW-DZGCQCFKSA-N 357.479 3.554 0 50 FFAA O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333597968 PZOHITIEDVGQOQ-UGKGYDQZSA-N 362.477 2.554 0 50 FFAA CC(C)c1cc(N2CCN(C(=O)c3cccs3)CC2)n2nccc2n1 72428210 KPXSYCMKQOUAEJ-UHFFFAOYSA-N 355.467 2.877 0 50 FFAA O[C@@H]1Cc2ccccc2C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 72153348 IBRICEGHLISIEV-OAQYLSRUSA-N 372.472 2.989 0 50 FFAA COCCCN(C(=O)c1ccc(Cl)cc1OC)C1CCN(C)CC1 72430569 CITSTMGGLNSJQG-UHFFFAOYSA-N 354.878 2.922 0 50 FFAA COCCn1ccc2c(cnc3c(-c4ccccc4)c(COC)nn32)c1=O 40396380 XFRPPOOIKOLNRU-UHFFFAOYSA-N 364.405 2.504 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3nc4ccc(C)cn4c3F)C2)CCC1=O 82087661 WQWAOQLDBHPCEB-FQEVSTJZSA-N 372.444 2.647 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc2cc(Cl)cc(OC)c2o1 220067146 WFWOCUCLMLTEHB-NENTXLIVSA-N 365.813 2.875 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1cccc(OC3CCCC3)c1)C2 82121916 MIWFIHVRWQAQEU-UHFFFAOYSA-N 368.481 2.856 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 82137572 IXGHGKKPCXFICZ-HXUWFJFHSA-N 370.472 2.871 0 50 FFAA C[C@@H](O)c1ccc(-c2cccc(C(=O)NCC(=O)N3CCCC3)c2)cc1 426506573 HDARAXLOOWFCCU-OAHLLOKOSA-N 352.434 2.759 0 50 FFAA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1 160522473 CMYIKAVMSGHPPK-JSGCOSHPSA-N 360.435 2.717 0 50 FFAA CCN(Cc1noc(C2CC2)n1)C(=O)N[C@H](C(=O)O)c1cccc(C)c1 426689345 WWMZGUPLNYJAQQ-HNNXBMFYSA-N 358.398 2.613 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCC(CCn3cccn3)CC1)C2 82161710 SOPIHDRSZVWMQZ-SFHVURJKSA-N 369.465 2.772 0 50 FFAA COc1cccc(CCNC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c1 426471750 ZKKXLXFQQBRZHV-QGZVFWFLSA-N 367.449 2.937 0 50 FFAA Cc1cc(CN(C)C(=O)NCC2(N3CCOCC3)CCCCCC2)ccn1 426471300 DRBAOHNYHKAKCY-UHFFFAOYSA-N 374.529 2.957 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cc(F)cc(F)c1)C2 91574400 ICCPEALLHAZIKC-SCLBCKFNSA-N 362.420 2.757 0 50 FFAA Cc1nc(-c2ccc(-c3cccc(F)c3)nc2)n([C@@H]2CCS(=O)(=O)C2)n1 96162230 QCTVZDPWHBVRSI-MRXNPFEDSA-N 372.425 2.814 0 50 FFAA COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)o1 95385403 ZZYFKOSBPDQXEN-JKSUJKDBSA-N 373.453 2.767 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 91906572 NXAGIRMBBHTSOT-INIZCTEOSA-N 362.437 2.775 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)Cc2ccc3[nH]c(C)nc3c2)C1 91650363 PGPQAGLVLZLRGP-HXUWFJFHSA-N 373.453 2.534 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cnc(CN2CCCC2)s1 97425110 PFUVQOVVGYPBHZ-OAHLLOKOSA-N 361.515 2.780 0 50 FFAA O=C(CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2)Nc1ccccc1 95380788 ZHJXAMPDCOKQRC-MAUKXSAKSA-N 356.495 2.678 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCCc1cn3ccsc3n1)n2C 91746351 BKKPZVFDXSNXJD-UHFFFAOYSA-N 354.435 2.869 0 50 FFAA O=C(NCCc1cn2cccnc2n1)c1ccc(CN2CCCCC2)cc1 244795394 RFPKHBLLCWKSQP-UHFFFAOYSA-N 363.465 2.688 0 50 FFAA CCOc1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)on1 296515126 ZTFKWJNWMFEMQJ-UHFFFAOYSA-N 359.401 2.880 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccc(Br)cc1 299742083 GTNTZGAZHPDWIT-GXFFZTMASA-N 356.216 2.508 0 50 FFAA COc1ccc([C@@H](NC(=O)CCc2ccccc2C)[C@H]2C[C@@H](O)C2)cn1 252527556 CWDZWZYTHXBPCJ-LVCYWYKZSA-N 354.450 2.960 0 50 FFAA CCN1CCCC[C@H]1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 299791811 FZRMOUWBVSJFDG-IBGZPJMESA-N 365.468 2.920 0 50 FFAA Fc1ccc(/C=C/CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299785358 YQGTXJUUGPJRBR-HNQUOIGGSA-N 364.428 2.953 0 50 FFAA O=C(NCCNc1cccnc1)[C@@H](c1ccc(F)cc1)N1CCCCC1 827647753 VROBUKSSTCITKS-LJQANCHMSA-N 356.445 2.976 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2n[nH]c(C)c2C)C1 827822487 XHAQVPMIKSXGAT-SFHVURJKSA-N 354.498 2.873 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCN(c2cnccn2)CC1 827957148 SIPYACXYEUTVJG-SFHVURJKSA-N 362.433 2.940 0 50 FFAA Cc1c(C(=O)NCCc2cn3ccsc3n2)c2cc(O)ccc2n1C 828920756 KVKKDOKCLFFCCR-UHFFFAOYSA-N 354.435 2.874 0 50 FFAA COc1cc(C)c(S(=O)(=O)N[C@H](C)c2nncn2C(C)C)c(C)c1C 670439347 TZACAAFNNKLNJL-CQSZACIVSA-N 366.487 2.832 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)NCc1n[nH]c2c1CCCCC2 670453648 PYISYHQHFPUPJR-UHFFFAOYSA-N 371.416 2.527 0 50 FFAA COc1cc(CNCc2nc(O)n[nH]2)ccc1OCc1cccc(F)c1 952873527 LGBPVSZJGABWFI-UHFFFAOYSA-N 358.373 2.527 0 50 FFAA CC(C)(C)C1CCC(CC(=O)NS(=O)(=O)c2cnc3n2CCC3)CC1 408004398 XGFYPOZNEZFUDE-UHFFFAOYSA-N 367.515 2.877 0 50 FFAA CC1=C(CCN2CC[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)C(C)(C)CCC1 1565512077 WLJFPKXMMIPNDS-HKUYNNGSSA-N 372.513 2.558 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 275574485 GLDAGKCQABHVBJ-QGZVFWFLSA-N 370.522 2.984 0 50 FFAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 277936562 USPJQOVSOQDPEZ-JSGCOSHPSA-N 374.890 2.734 0 50 FFAA CCCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)O 170592110 QOZOFHGPWOJWST-SJORKVTESA-N 360.454 2.689 0 50 FFAA CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@@H]43)cc2)n1 170608478 NUPAHEGXSGPOLU-CABCVRRESA-N 369.425 2.602 0 50 FFAA COc1ccsc1S(=O)(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 192267781 YTWRBLLMBJDWSO-ZFWWWQNUSA-N 353.465 2.813 0 50 FFAA O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2cccnn2)CC1 195378230 RNYIDRRJGAMRSA-UHFFFAOYSA-N 353.813 2.641 0 50 FFAA Cc1nnc(COc2ccc(CCO)cc2-n2nc3ccccc3n2)s1 773183323 NJUBLLRIOVYLQS-UHFFFAOYSA-N 367.434 2.694 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N(CCO)Cc1cccnc1Cl 794320147 PPVWLYXMUQHUTH-UHFFFAOYSA-N 356.813 2.760 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@H]1CN(C)c2ccccc2O1 1506402079 LVJKCCRHGKTYOG-IBGZPJMESA-N 364.405 2.592 0 50 FFAA CCC1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CCC1 1529171719 AFHNEVUSCJZOBE-CVEARBPZSA-N 350.846 2.593 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCCc2ccccc2)OCC(=O)N1C 1529105229 YQJBGDNFFBNEEJ-RTWAWAEBSA-N 366.461 2.642 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)C[C@@H]1C(=O)O 220212232 SBVWHGCYANBDMK-SJORKVTESA-N 353.374 2.634 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c1 5172324 WVPPYFZRVUKUQF-UHFFFAOYSA-N 364.492 2.512 0 50 FFAA CC(C)CCNC(=O)CCNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296753 OATHSKKDHUABHJ-UHFFFAOYSA-N 356.470 2.788 0 50 FFAA biogenic CC[C@H](C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12304246 DKKUZKSVXCEDAF-SFHVURJKSA-N 372.557 2.920 0 50 FFAA CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccc2F)CC1 12381970 QKYYMBCIMQHHGM-SFHVURJKSA-N 373.428 2.522 0 50 FFAA COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(C)cc1 13731349 XICAXIOSXUOWSA-UHFFFAOYSA-N 372.465 2.882 0 50 FFAA OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccc(F)cc1 19770734 DXNJPEDOASSKIB-IBGZPJMESA-N 372.440 2.623 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@H](Oc3ccccn3)C2)n1 19884563 KVLUMVMFJIRJBY-HNNXBMFYSA-N 350.426 2.628 0 50 FFAA c1cnc2c(OC[C@H]3CC4CCN3CC4)ccc(CN3CCOCC3)c2c1 1857686552 BFKLIGVLOIYNPG-LJQANCHMSA-N 367.493 2.930 0 50 FFAA C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1cccc(O)c1 112456940 PSRLXTVUAUAULY-CQSZACIVSA-N 371.412 2.760 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@@](C)(C(=O)O)C1 237121927 LWRZIVFKZASQEQ-MRXNPFEDSA-N 370.243 2.714 0 50 FFAA Cc1ccc(-n2nc(C(=O)N[C@H]3CC[C@H](O)CC3)c3c2CCC3)c(F)c1 245518803 SACIMKLHVHTBCL-HDJSIYSDSA-N 357.429 2.842 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 248271658 QIJZTXTWOSSUBU-PXNSSMCTSA-N 365.481 2.770 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(CCC(=O)N(C)c3ccccc3)C2)n1 135054553 KGBWWQFZJIXDMC-SFHVURJKSA-N 355.486 2.660 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2ccc(OC3CCCC3)nc2)C1 779850370 PEJHTTRJRKNRCK-HZPDHXFCSA-N 372.425 2.697 0 50 FFAA CNC(=O)[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 155374612 ABINFUPRCHPJSW-INIZCTEOSA-N 362.351 2.739 0 50 FFAA CN1CCC[C@@H](CN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 265272070 GWBJKPQLSIKJCL-QZTJIDSGSA-N 372.513 2.731 0 50 FFAA Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 804513172 FXAKUIISWGPMSD-OXJNMPFZSA-N 353.466 2.795 0 50 FFAA O=C(CCc1cnc[nH]1)NC[C@H](Cc1cccc2ccccc12)C(=O)O 909263603 BFGRWMGKANDUGT-INIZCTEOSA-N 351.406 2.555 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 860875813 IVZNTUUKJOKUBJ-CQSZACIVSA-N 369.234 2.896 0 50 FFAA CC(=O)N1CCC[C@@H]1c1noc(-c2cccn(Cc3ccccc3)c2=O)n1 867078120 GUPGGYVICHCWGS-QGZVFWFLSA-N 364.405 2.630 0 50 FFAA COC(=O)C[C@H]1CCN(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 1875277197 DGYMUAONXXRUCI-OAHLLOKOSA-N 356.426 2.906 0 50 FFAA COc1cc(Cl)cc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1 1875316290 GRORWHVKYLUEHC-UHFFFAOYSA-N 356.813 2.902 0 50 FFAA O=C(c1cc2ccccc2cc1OC[C@H]1C[N@@]1CC1CC1)N1CCOCC1 1875385393 SBVNJVSFKJWGCP-NTKDMRAZSA-N 366.461 2.785 0 50 FFAA C=CC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 1875389447 OQOIRZFHLXMZEL-CQSZACIVSA-N 359.813 2.902 0 50 FFAA Cn1cnc(C(=O)N[C@H]2CN([C@@H]3CCc4ccc(F)cc43)CC2(C)C)c1 1875406876 OFQYORDTSZHGTN-MSOLQXFVSA-N 356.445 2.687 0 50 FFAA Cn1cccc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@]13CCCC[C@@H]1C3)CC2 1875406391 COIJCLKLNDTLPA-GWKIZSTFSA-N 355.482 2.859 0 50 FFAA O=C(c1ccc(C(=O)N2CCCc3ccccc3C2)cc1)N1CCOCC1 528458352 MHLCWGHMSVOTMQ-UHFFFAOYSA-N 364.445 2.748 0 50 FFAA COC(=O)C1CCCC(NC(=O)Cc2ccc3c(c2)CCC(=O)N3)CCC1 2325791372 SSGCIYTVZCWKLR-UHFFFAOYSA-N 372.465 2.742 0 50 FFAA O=C(CCN1CSCCSC1)N1C[C@@H](O)CC12CCCCCC2 2325794615 KHGGKNYAELYXBJ-HNNXBMFYSA-N 358.573 2.760 0 50 FFAA C[C@]1(Cc2nc(CCO)nn2-c2ccc(C(F)(F)F)cc2)CCCO1 2325849606 VIORZGFCMHPYMX-MRXNPFEDSA-N 355.360 2.933 0 50 FFAA CCc1ccc(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1 1121933 REGRBXUHKPMGCL-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA Cc1c(Cl)cccc1NC(=S)NCc1ccc(S(N)(=O)=O)cc1 1154556 YGMHXMATHMNIRQ-UHFFFAOYSA-N 369.899 2.782 0 50 FFAA COCCN1CCC[C@@]2(CCCN2CCOc2cccc(C)c2C)C1=O 2356143261 ADJUNQGEAIUHRL-OAQYLSRUSA-N 360.498 2.786 0 50 FFAA COCCN1CCC[C@@]2(CCCN2CCCOc2ccc(F)cc2)C1=O 2356161024 CLCRPBKXYUZECA-HXUWFJFHSA-N 364.461 2.698 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)Cc1ccc(Cl)cc1 2883330 CEQKCJVAGLSJBY-UHFFFAOYSA-N 370.833 2.879 0 50 FFAA Cc1noc(NC(=O)CCn2cnnn2)c1-c1cccc(C(F)(F)F)c1 2356169093 UWRPEERIDNLFES-UHFFFAOYSA-N 366.303 2.684 0 50 FFAA COc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 4183546 MLJFGEAJQYNJQU-QWHCGFSZSA-N 362.813 2.542 0 50 FFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)O[C@]2(CCc3ccccc32)C1=O 225826231 BFXMGPGCBITYFC-JZKQVHKSSA-N 356.422 2.596 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)cc21 245923154 YHALQRYQGFRIRQ-RPVQJOFSSA-N 362.495 2.937 0 50 FFAA COc1cccc(CNC(=O)[C@@H](C)N2CC[C@@H](CNc3ccccn3)C2)c1 246100825 HYGZYCORPVZUNN-AEFFLSMTSA-N 368.481 2.529 0 50 FFAA CN(CC(=O)NCCCc1nc2ccccc2n1C)Cc1ccccc1 118660589 OCAYALLZKCONKU-UHFFFAOYSA-N 350.466 2.754 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)[nH]n1 67774521 ZDGDZFWTGFLYQQ-ZDUSSCGKSA-N 362.437 2.805 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1ccccc1C)C2 20600290 DAYDRWLKGZVFEV-QGZVFWFLSA-N 354.498 2.950 0 50 FFAA Cc1cc(C)cc(NC(=O)CC(=O)NCCc2[nH]nc3c2CCCC3)c1 67881205 WTCQTSASLFODGQ-UHFFFAOYSA-N 354.454 2.593 0 50 FFAA O=C(NCCc1cscn1)C1(N2CCCCC2)Cc2ccccc2C1 12302250 FPQRBCIWOXQBJZ-UHFFFAOYSA-N 355.507 2.825 0 50 FFAA O=C(CN[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCN=C(O)C1 329047131 GBLQUORCWOLJAD-LSDHHAIUSA-N 369.387 2.730 0 50 FFAA CN1c2ccccc2C(O)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O 6002650 IGQZSUJPKKHKLG-UHFFFAOYSA-N 364.810 2.985 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCO2)c1 281765166 JCNDJKNWOYWNQQ-OKZBNKHCSA-N 374.872 2.811 0 50 FFAA CCCc1n[nH]cc1C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 328627571 MXVABXSCKSUXFK-HNAYVOBHSA-N 372.517 2.641 0 50 FFAA C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCCS4(=O)=O)cc3c2C1 154377712 ZPXWAPSJGABMSM-GXTWGEPZSA-N 360.479 2.600 0 50 FFAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2cc(C)ccc2C)C1 77454248 FMGFWDBLFVFTRW-UHFFFAOYSA-N 353.470 2.676 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(=O)cc(C)o2)c2ccncc2)cc1 215915289 YHKYNWLQHNSWRR-LJQANCHMSA-N 350.374 2.871 0 50 FFAA CCCCSc1ncc(CN2CCc3c(c(CO)nn3CC)C2)cn1 215117042 YPEJHNHLAKXKPU-UHFFFAOYSA-N 361.515 2.636 0 50 FFAA COc1ccc(CN2CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2=O)cc1 72422346 JJHXGHFZOHCQJR-UHFFFAOYSA-N 356.470 2.560 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)c1C 77422540 XXNLZSGKTNKXQJ-UHFFFAOYSA-N 354.454 2.808 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)N1CC(Oc2ccccc2)C1 218958983 XJAGSRNUNNTVLC-UHFFFAOYSA-N 364.405 2.744 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(=O)[nH]c2ccc(F)cc12 215439271 ACHSULCOPPRPGT-UHFFFAOYSA-N 368.412 2.931 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)nn1-c1ccccc1F 236925274 BXEXHWKUVDFYAF-ZIAGYGMSSA-N 359.449 2.558 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)CCc3ccncc3)CC2)OC1=O 77340533 JJFHIAVINCVTNR-UHFFFAOYSA-N 359.470 2.874 0 50 FFAA O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1Cc1cccc(N2CCOCC2)c1 333923745 SNMHSFJXDOUMTF-UHOSZYNNSA-N 369.465 2.619 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F 77489130 FIQZUCCDQZGPRV-CYBMUJFWSA-N 372.437 2.521 0 50 FFAA COc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1N1CCCC1=O 132125860 UTSFQXMENDGEAM-CYBMUJFWSA-N 354.410 2.604 0 50 FFAA O=C(CCC[S@](=O)c1cccc[n+]1[O-])c1ccc(Br)cc1 44125773 YDCDCIWLCAWEDY-OAQYLSRUSA-N 368.252 2.853 0 50 FFAA CNC(=O)C(C)(C)N(C)C(=O)c1ccc(-c2ncnc3ccsc23)cc1 426622865 BCHSWBGANLQXCF-UHFFFAOYSA-N 368.462 2.955 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1cnoc1-c1ccccc1 426622936 LKMTXWMKRGTVGM-UHFFFAOYSA-N 355.438 2.716 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2scc3c2OCCO3)cc1 223800552 FLVZOZYDZBBQEN-UHFFFAOYSA-N 355.419 2.943 0 50 FFAA COCc1nc(CN2CCC[C@H](c3nccn3Cc3ccccc3)C2)no1 82121375 OITAIFPHLHSNRE-KRWDZBQOSA-N 367.453 2.840 0 50 FFAA Cc1nn(-c2ccc(NC(=O)c3nn(C)cc3C(=O)O)cc2)c(C)c1Cl 20614836 ZFZCCCZWTKWAJI-UHFFFAOYSA-N 373.800 2.827 0 50 FFAA Cc1ccc(F)c(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)c1 426535578 AOUFXVOHHLBAHS-UHFFFAOYSA-N 356.441 2.988 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)n1 97468190 SZJGDVUDZMHIIL-LJQANCHMSA-N 367.497 2.628 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC1CCN(C(=O)OC(C)C)CC1)C2 95518700 PFSNWLATHSOEEY-HNNXBMFYSA-N 362.470 2.845 0 50 FFAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1cccc(-n2cnnn2)c1 334160669 JOOSUACGCJBBHJ-GOSISDBHSA-N 358.405 2.951 0 50 FFAA CCn1ncnc1[C@H](NC(=O)Nc1ccc(-n2ccnc2)cc1)C1CC1 95504138 IGZVNXIIQSRGCK-MRXNPFEDSA-N 351.414 2.757 0 50 FFAA Cc1cc(CNC(=O)Cn2cnc3ccccc3c2=O)c(C(F)(F)F)o1 92028067 MJQRPFVWRXOFBI-UHFFFAOYSA-N 365.311 2.633 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1nccc(-c2ccccc2)n1 95382984 NFUURHWGZIRJHI-OAQYLSRUSA-N 372.472 2.859 0 50 FFAA COc1cccc2c1OC[C@@H](Cc1ccc3ncnc(NCCO)c3c1)C2 95385546 RMGYIKXHJHYINK-HNNXBMFYSA-N 365.433 2.836 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(CCOc1ccc(F)cc1)C2 91635526 NGBBODAOWGCENQ-SJLPKXTDSA-N 369.440 2.836 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1O)CC2 91519113 SYQGTYWHIHCRDQ-UHFFFAOYSA-N 374.481 2.582 0 50 FFAA NCCOc1cccc(CC(=O)N2CCCC[C@H]2CCc2ccccn2)c1 426371936 DKIRHPWMQUTCNW-FQEVSTJZSA-N 367.493 2.976 0 50 FFAA CCn1nc(Cc2ccccc2OC)nc1-c1cc(C(C)=O)c(C)[nH]c1=O 96137549 BUROGUCCFONKGK-UHFFFAOYSA-N 366.421 2.764 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(CC[C@H](O)c1ccccc1)CC2 91636955 UIUQWFZIGAJWDX-FQEVSTJZSA-N 374.525 2.851 0 50 FFAA COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)s1 95366590 RTHAMNMRNZDQRA-DZGCQCFKSA-N 362.495 2.758 0 50 FFAA CCc1noc(CN(CC)C(=O)Nc2ccccc2N2CCOC2=O)n1 95530141 RUSPICJNXRNMOR-UHFFFAOYSA-N 359.386 2.643 0 50 FFAA CCOc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cn1 181190337 UNWKHHZFZBHMSQ-UHFFFAOYSA-N 350.415 2.973 0 50 FFAA CSCCc1nc([C@@H](C)N2CCOCC2)n(Cc2cccc(C)c2)n1 95390738 YGXWYXQPXNVTIE-MRXNPFEDSA-N 360.527 2.934 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3ccc(-c4ccccc4)o3)nn2)CC1 244852850 UZYUUXQIZPPMLI-IYBDPMFKSA-N 365.437 2.911 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1cc(-c3ccccn3)no1)CO2 244866353 VUNNVIGQHBIWQD-AWEZNQCLSA-N 365.389 2.613 0 50 FFAA Cc1ccc(CNC(=O)CCN2CCC(N3CCSCC3)CC2)cc1 244700987 JXTOOWZRLQUFER-UHFFFAOYSA-N 361.555 2.515 0 50 FFAA CCOc1ccc2c(c1)C[C@H](C(=O)NCc1cc(C(=O)O)c(C)o1)CO2 299747418 CXXUYPSEKZAUEW-ZDUSSCGKSA-N 359.378 2.552 0 50 FFAA C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@@]2(C1)OCc1ccccc12 185074360 AXUMHYCHQJFESI-DJJJIMSYSA-N 356.447 2.524 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 184406555 VWOYMJUKEIFAOU-NSHDSACASA-N 374.807 2.922 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)NCCc1csc(-c2cnccn2)n1 534638317 QQNOAGCADZOMRW-UHFFFAOYSA-N 372.454 2.589 0 50 FFAA CN1C[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4)nc3)C2)OC1=O 299793142 GHQOQESQBQOJER-LJQANCHMSA-N 368.393 2.932 0 50 FFAA COc1ccc(C(=O)N2CCCC[C@@H]2c2cccnc2)c(OCCN)c1 299800001 YNMNIOJSLCNMEC-GOSISDBHSA-N 355.438 2.795 0 50 FFAA COc1nc(-c2cccc(C(=O)NCCCC[C@@H]3CCCO3)c2)nn1C 299799645 TXGFAWPJQJXYPL-MRXNPFEDSA-N 358.442 2.570 0 50 FFAA CC[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1nc(C)c(C)s1 299788731 ZWBCUCOENOLRKA-OAHLLOKOSA-N 366.508 2.973 0 50 FFAA O=C(c1c(Cl)cccc1Cl)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299766721 ROELLUJLSCEXTR-STQMWFEESA-N 353.209 2.571 0 50 FFAA O=C(CCCC(=O)N1CCC(N2CCC[C@@H](CO)C2)CC1)c1ccccc1 299757191 IXGFYDWRZWUPLA-GOSISDBHSA-N 372.509 2.735 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 952864663 KXOWQXAWWMIFLJ-INIZCTEOSA-N 351.410 2.799 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2ccc(Cn3cccn3)cc2)CC1 952968711 NLCNHIBTHYCPEI-UHFFFAOYSA-N 364.449 2.873 0 50 FFAA O=C(CCc1cccs1)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565516265 ZTYLBLGBHOZUOS-ROUUACIJSA-N 361.463 2.526 0 50 FFAA COC[C@@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc(C)o1 185884954 GSSXCWNJQMLMCY-CYBMUJFWSA-N 350.396 2.536 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCC2)nc1 275370065 XFEBQLKSUBSQPW-PXNSSMCTSA-N 355.486 2.652 0 50 FFAA CN(C)c1nccc([C@@H]2CN(C(=O)c3coc4ccccc34)CCO2)n1 276697989 OYFXLRYPVMNTPS-KRWDZBQOSA-N 352.394 2.503 0 50 FFAA CCc1cc(=O)n2nc(N[C@H](C)c3nc4cc(OC)ccc4[nH]3)sc2n1 170619668 HPAXOQGXCWWENZ-SECBINFHSA-N 370.438 2.771 0 50 FFAA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cncs1 189766334 NMIPLJUUPYEGJA-SJPCQFCGSA-N 369.490 2.980 0 50 FFAA CCc1cnc(CN(C)C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)s1 194796081 GONPJWJPLRPJMZ-OKILXGFUSA-N 374.510 2.986 0 50 FFAA C[C@@H](OC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)N1CCSc2ccccc21 758134812 GLUYZVHRLFEBRX-CHWSQXEVSA-N 371.462 2.900 0 50 FFAA CCc1ncc(S(=O)(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)[nH]1 1529199151 WNPRJIVQZCFJIZ-JKSUJKDBSA-N 361.467 2.513 0 50 FFAA CC1(C)CC(CC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)CC(C)(C)N1 1704312281 IAUQVBPCGXJBMZ-HXUWFJFHSA-N 366.546 2.856 0 50 FFAA CCc1nc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)no1 220180263 LDDCMZFKTMQSTE-ZBFHGGJFSA-N 374.510 2.749 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3ccncc3)C2)c1 12303271 SXXSJPJLELNPMZ-QGZVFWFLSA-N 369.465 2.741 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)s1 12308752 WIEQIUCMGKLVOH-LBPRGKRZSA-N 362.480 2.985 0 50 FFAA CCN(CCO)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 12455896 RRIMGEAJJVGXDT-UHFFFAOYSA-N 354.406 2.882 0 50 FFAA O=C1N[C@](Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 13153145 RSLSYWOCBPGKBV-AWEZNQCLSA-N 354.263 2.648 0 50 FFAA Cn1ccnc1CN1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 15062337 JFYHROQCQTXNCI-HXUWFJFHSA-N 374.435 2.713 0 50 FFAA c1cnc(Oc2ccc(CN[C@H]3CCCN(c4ncccn4)C3)cc2)nc1 15074501 GFUIHSDMNJEKOZ-KRWDZBQOSA-N 362.437 2.818 0 50 FFAA CC(C)c1noc(-c2cccn3c(CNC(=O)c4ccccc4)nnc23)n1 169776105 XHEKDPRJBKVRQV-UHFFFAOYSA-N 362.393 2.833 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3ccc(CC(=O)O)cc3)C[C@H]12 1857730183 LGMRZDHIRJJUQI-RNVRALISSA-N 357.450 2.747 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2n2ccnc2-c2ccccn2)C3)cc1 1857731693 XJCLNNNFVRVMJJ-STDCAVTESA-N 371.488 2.685 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccco3)C[C@]23CC[C@H]1O3)c1ccccc1 1857738194 WJNRUIRTPHNMBC-QEUVDIPISA-N 352.434 2.689 0 50 FFAA CS(=O)(=O)c1ccc(-c2noc(-c3cc4c(s3)CCOC4)n2)cc1 109608298 YWQUIAHXVGYDPE-UHFFFAOYSA-N 362.432 2.941 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C)CC(=O)N1CCCCCC1 328656545 ZLNOELCPIKANFT-FUHIMQAGSA-N 362.518 2.751 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc([C@H]3C[C@@H]3C)o2)CC(=O)N1C 328637974 WEQPHRHWXVVQIE-HRTTVULDSA-N 356.470 2.815 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N(CCC(=O)O)C3CCOCC3)cc2)n1 237679741 SHGNEUAAPFJFFC-UHFFFAOYSA-N 371.437 2.585 0 50 FFAA CCc1cccc2c(CC(=O)NC3CCN(C[C@@H]4CCOC4)CC3)c[nH]c12 136814245 CJOVINLURNQXDQ-INIZCTEOSA-N 369.509 2.890 0 50 FFAA CC1(C)CN(CC(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1C(F)(F)F 252503672 VFMNFXOMACHJRD-HNNXBMFYSA-N 361.452 2.640 0 50 FFAA COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(OC)cc2C(=O)O)c1 263270170 IACBDIQULDYSLI-LBPRGKRZSA-N 359.378 2.946 0 50 FFAA O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc(C(F)(F)F)nc1 162841250 VQQJSZISTFEZPI-UHFFFAOYSA-N 361.327 2.858 0 50 FFAA O=C(Nc1cnc(F)c(F)c1)N1CCN(c2ccc(Cl)cn2)CC1 934408552 DROKVJYRRMDFNZ-UHFFFAOYSA-N 353.760 2.762 0 50 FFAA CC1CC(n2nnc3c2CN(Cc2cc(-c4ccco4)nn2C)CC3)C1 1875393461 GAYLJORNGRMBBL-UHFFFAOYSA-N 352.442 2.801 0 50 FFAA CN1Cc2cc(S(=O)(=O)N(C)[C@@H]3C[C@H]3c3ccccc3)ccc2OC1=O 1875306105 TVKFVTVPDGTNQS-DLBZAZTESA-N 372.446 2.807 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(NC(=O)c3ccccc3)cc2)cn1 1875384324 FDTWTTXWNORIBF-DFBJGRDBSA-N 362.433 2.936 0 50 FFAA C=CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875386372 OQCMYYICDXFOMA-WBVHZDCISA-N 358.486 2.979 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cncc2c(Cl)cccc12 1875400788 MHSBPQGLIATGLK-NXOUGTEYSA-N 370.840 2.654 0 50 FFAA O=C(Cc1ccc([S@@](=O)C2CC2)cc1)N=c1cc(C2CCCC2)[nH][nH]1 2325755009 QOGRAGXQLICTLN-RUZDIDTESA-N 357.479 2.940 0 50 FFAA C[C@H]1CN(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)CCN1 2325859251 SLYWNXNTRSUOIT-AWEZNQCLSA-N 350.422 2.998 0 50 FFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 793348 GVQGFEPAXJETEB-OAQYLSRUSA-N 369.417 2.921 0 50 FFAA COC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 828321 ROFVNIYIKFWBOF-AWEZNQCLSA-N 352.390 2.773 0 50 FFAA CCOc1ccccc1N(CC(=O)Nc1ccc(C)cc1)S(C)(=O)=O 972406 HFOOPRYXDTWLQF-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA COC(=O)c1ccc(NC(=S)NC(=O)COc2ccc(C)cc2)cc1 1186406 BHZUFHWZOPDDGE-UHFFFAOYSA-N 358.419 2.674 0 50 FFAA CCOCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 2733973 IJZXKRKAMIXDAD-UHFFFAOYSA-N 358.394 2.931 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)n(C(F)F)n2)C1=O 2356169265 XZMQAUGLROHLQL-QGZVFWFLSA-N 354.401 2.594 0 50 FFAA COc1ccc(OCCCN2CCCN(C(=O)c3ccoc3)CC2)cc1 55060095 UNKAVTARWBZOPA-UHFFFAOYSA-N 358.438 2.905 0 50 FFAA CCCN(C/C=C/c1ccccc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 55036442 GRRUNZFIVQOTBY-RMKNXTFCSA-N 363.417 2.782 0 50 FFAA CCCC[C@@H](c1cccnc1)N(C)C(=O)CSc1nnc(N)s1 55073233 HVSLXPVRJBFAGM-LBPRGKRZSA-N 351.501 2.997 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 247361246 DYKLCTRHLKJOJY-BNBDDXAPSA-N 374.824 2.928 0 50 FFAA O=C(CCc1nc(Cl)n[nH]1)N1CCc2onc(-c3ccccc3)c2C1 67785855 HBCHFLCEPRVMCG-UHFFFAOYSA-N 357.801 2.631 0 50 FFAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)cn1 328645626 SEHYZLJNHWJFDF-AEFFLSMTSA-N 360.502 2.900 0 50 FFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC(O)CC3)nc2)C1 67789547 ALSWHROPFLUUIW-KRWDZBQOSA-N 373.497 2.510 0 50 FFAA CN1CC[C@@H](CNc2ccnc(Cc3ccccc3)n2)[C@@H]1c1cccnc1 328631848 RKXKCAZHTSLXQB-UGKGYDQZSA-N 359.477 3.567 0 50 FFAA COc1ccc(-c2cc3nc(C)cc(N4CCOCC4)n3n2)cc1OC 21790405 CYBDDLQGXYJROM-UHFFFAOYSA-N 354.410 2.559 0 50 FFAA COc1cccc(-c2nc(CC(=O)N3CCC[C@H](C(=O)O)C3)cs2)c1 32092542 VBFTWHICXCNMMP-ZDUSSCGKSA-N 360.435 2.684 0 50 FFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 628322 DPYDZKLTMBIXPH-UHFFFAOYSA-N 373.405 2.776 0 50 FFAA biogenic Cc1nc2ncccn2c1C(=O)N1CCO[C@H](CCc2ccccc2)C1 12299654 AGCCOEPQEJILQL-QGZVFWFLSA-N 350.422 2.512 0 50 FFAA COc1cccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)c1 71746248 GZUHJANLZOYDPQ-UHFFFAOYSA-N 350.378 2.882 0 50 FFAA CCOC(=O)[C@@H](CSCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 4014025 VMEQROYLWJLJHQ-LLVKDONJSA-N 363.476 2.518 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC(Oc2ccccc2Cl)CC1 72410563 OWPDBJOLSWHXFS-UHFFFAOYSA-N 374.872 2.942 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)cc(=O)[nH]1 72145175 AYOXAAMQFPZDCS-GFCCVEGCSA-N 361.829 2.840 0 50 FFAA CC(C)Cn1ncc2cc(C(=O)N3CCC4(CC3)CN=C(O)C4)cnc21 329782953 UTUSVMPNCOGJKL-UHFFFAOYSA-N 355.442 2.670 0 50 FFAA CCCOc1ccc(C(=O)N[C@H]2CCc3nnc(C)n3C2)cc1OCC 363545562 LIDUOYZQWNZVPQ-HNNXBMFYSA-N 358.442 2.519 0 50 FFAA C[C@@]1(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CCCO1 330144216 ZLACIEQYFMOPNV-AWEZNQCLSA-N 368.256 3.475 0 50 FFAA Cc1cc(C)n2nc(CC(=O)N(Cc3sccc3C)C3CC3)nc2n1 71750131 RYXSJVXBZFZBMN-UHFFFAOYSA-N 355.467 2.845 0 50 FFAA O=C(c1csc(C(F)(F)F)n1)N1CC[C@@H](OCc2ccncc2)C1 366369222 HVAHDSIIQTZAKG-LLVKDONJSA-N 357.357 2.988 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)NCCc1noc([C@@H]2CCCO2)n1 216080478 FBGSVMSZKRMCES-INIZCTEOSA-N 354.410 2.694 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C(=O)/C=C/C2CCCCC2)n1 369001855 RFXKPHZWJOVKSK-SHQCLWGWSA-N 358.442 2.762 0 50 FFAA CCc1c(C(=O)COc2ccc(-n3cncn3)cc2)[nH]c(C)c1C(C)=O 156909039 ZLTKPFXKXZZGMT-UHFFFAOYSA-N 352.394 2.931 0 50 FFAA Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 126842501 PGJMBDYLVVUZNA-SFHVURJKSA-N 350.418 2.895 0 50 FFAA O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NC3CCCCC3)cc21 71385292 HOJVHPIZTVYJLA-GFCCVEGCSA-N 354.406 2.943 0 50 FFAA CCN(CC)CCNC(=O)c1cc(N2CCc3ccccc3C2)ccn1 71761977 SKWJBFYQDOYYDC-UHFFFAOYSA-N 352.482 2.716 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O 282957855 YFVITJNKPMMCBB-XLIONFOSSA-N 355.482 2.838 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCN[C@@H](C)C2)cs1 237774255 ALZVQWFRWXQCAZ-NPQIQWPPSA-N 357.479 2.864 0 50 FFAA COc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)ccc1O 82139024 DANUQTOOXAKBJY-CQSZACIVSA-N 354.406 2.587 0 50 FFAA CN(C)c1nccc([C@@H]2CN(c3ccnc(C(F)(F)F)c3)CCO2)n1 287822623 QJBJBLLFQRBVMD-ZDUSSCGKSA-N 353.348 2.534 0 50 FFAA COCCN1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 426525934 ARAYFCVQUXAWLZ-UHFFFAOYSA-N 366.461 2.693 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3CC)C[C@@]23C=C[C@H]1O3 226888069 SMBHTVWBJZTLQK-IKVWTGGYSA-N 355.434 2.879 0 50 FFAA Cc1cccc([C@@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1 426470542 GQZVBKZECWJGHU-LJQANCHMSA-N 359.514 2.731 0 50 FFAA CSc1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cs1 220450718 NGGOLOIZRNWMJR-HIFRSBDPSA-N 364.492 2.969 0 50 FFAA CC(C)(C)n1ncnc1CNC(=O)[C@H]1CCN(c2ccccc2Cl)C1 291035500 KLPOBOZLYDVRDP-ZDUSSCGKSA-N 361.877 2.829 0 50 FFAA Cn1cc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 225419283 CFGMHDUIIDVKPY-WBVHZDCISA-N 361.445 2.528 0 50 FFAA biogenic Nc1cnc(-c2cccc(C(=O)N3CCCN(C4CCCC4)CC3)c2)cn1 426548849 RQAMPHFLWJLLSR-UHFFFAOYSA-N 365.481 2.816 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)[C@H]2CCc3ccc(OC)cc32)n1 292168162 ZTZJBCARPWFIDS-RDJZCZTQSA-N 370.453 2.743 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)c2nncn2C(C)C)c1 96163057 WCYDXTXBVYJZPH-LLVKDONJSA-N 361.402 2.537 0 50 FFAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(-c2ccccc2Cl)o1 95520335 YKPBQUHOGQKDED-CQSZACIVSA-N 371.780 2.975 0 50 FFAA C[C@@]1(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CCS(=O)(=O)C1 426662445 QGGMNSTWQZWGQL-LJQANCHMSA-N 369.446 2.537 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC(Oc3ccncc3)CC2)c2cc(F)ccc2N1 91746177 BCYQNAOGIUGRRO-QGZVFWFLSA-N 369.396 2.717 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1cc(CC(C)C)nn1C)C2 95368189 OBJSLRSRMKJLMV-AWEZNQCLSA-N 357.454 2.608 0 50 FFAA Cc1nc(-c2ncc(C(=O)NCCCc3c(C)noc3C)c(O)n2)cs1 92080390 QVKSQELWBJUHCZ-UHFFFAOYSA-N 373.438 2.582 0 50 FFAA c1cncc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 91350749 YRMPPFUBTOPKTB-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(c2noc(-c3ccccc3)n2)C1 91409941 APELOYACSOHXNR-MRXNPFEDSA-N 353.426 2.964 0 50 FFAA CC(=O)NCc1nc(CCc2ccccc2)nn1Cc1ccc(F)cc1 95382491 ALJIVYZCQJGDMG-UHFFFAOYSA-N 352.413 2.887 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(CCCc1ccccc1)C2)NC1CC1 91636680 PWOYYJVFYZBUDA-UHFFFAOYSA-N 366.509 2.933 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1Cc1ccc(C2CCCC2)s1 96160552 JBBZWAXLLYDDMD-RDJZCZTQSA-N 363.527 2.621 0 50 FFAA CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 91427194 JKPKVEJLMMSQTI-OAHLLOKOSA-N 366.465 2.769 0 50 FFAA COCCn1c(CN2CCC(c3ccccc3)CC2)nnc1[C@H]1C[C@@H](N)C1 243885714 ABTVIESDAIJLNQ-KDURUIRLSA-N 369.513 2.509 0 50 FFAA Cc1nc(CCN2CCN(c3nnc(C(F)(F)F)s3)CC2)cs1 244764045 PAGTUBZRSPFSOF-UHFFFAOYSA-N 363.434 2.687 0 50 FFAA Cc1ccc(C)c(OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 240825204 QOAXYXAHLCLESO-ZONKCHNNSA-N 365.429 2.650 0 50 FFAA Cc1ccc(CN(CCO)S(=O)(=O)c2cccc3cnccc23)cc1 181855922 MJQMRWFCHCMKGV-UHFFFAOYSA-N 356.447 2.726 0 50 FFAA Cc1ccccc1-c1noc(CNC(=O)N(C)Cc2nncn2C(C)C)n1 534630498 CVOZYGKGAWRJPA-UHFFFAOYSA-N 369.429 2.559 0 50 FFAA CN1C(=O)COc2cc(NC(=O)N3CCC(c4ccncc4)CC3)ccc21 374177494 NSVRSZNJMLXGBT-UHFFFAOYSA-N 366.421 2.848 0 50 FFAA COc1cc(OC)c(C(=O)N2CCC(c3ccncn3)CC2)cc1OC 298189035 FFKKBWKNEISFOT-UHFFFAOYSA-N 357.410 2.522 0 50 FFAA O=C([C@H](O)c1cccc(F)c1)N1CCCN(C2Cc3ccccc3C2)CC1 299792648 GLHMXOASHCPHOM-OAQYLSRUSA-N 368.452 2.561 0 50 FFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1ccc(CN)cc1)CC2 299779340 QYKSOUXHKMNMRN-IRFCIJBXSA-N 358.482 2.724 0 50 FFAA COCCN(C)Cc1nc(-c2cccc(F)c2)nn1-c1cccc(C)n1 824405438 GYOZKRGMUFVSAG-UHFFFAOYSA-N 355.417 2.855 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)c2nc(N)nc3c2CCCC3)c1 952964223 NGGBGRCTQRHMSG-KRWDZBQOSA-N 352.438 2.924 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC(OCc2cccnc2)CC1 952991510 TUNJCAXTSPBVTA-ONEGZZNKSA-N 358.463 2.856 0 50 FFAA CCn1c(C)cc2cc(NC(=O)c3cn(C[C@@H]4CCCNC4)nn3)ccc21 952975340 IZLXIXBYORFOGG-OAHLLOKOSA-N 366.469 2.813 0 50 FFAA Cn1ccn2ncc(C(=O)Nc3ccc(OC[C@@H]4CCCCO4)cc3)c12 952972831 HREIPBMZASWCSW-INIZCTEOSA-N 354.410 2.873 0 50 FFAA Cc1ccccc1N1CCCN(S(=O)(=O)CCOc2ccccc2)CC1 952868919 CCKAQRAYAVOBGN-UHFFFAOYSA-N 374.506 2.916 0 50 FFAA Cc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1[C@@H](C)O 277225879 NTFOQNLVFMYIIC-LJHODMEESA-N 372.469 2.615 0 50 FFAA CC(C)(O)CN1CCCN(C(=O)c2ccc(SC(F)F)cc2)CC1 170086619 MUFYMMQYWBHQMU-UHFFFAOYSA-N 358.454 2.920 0 50 FFAA C[C@@H](OC[C@H]1CCCCO1)C(=O)NCC1(C)CN(Cc2ccccc2)C1 170601705 MRGKAQJTYZKFFI-IEBWSBKVSA-N 360.498 2.599 0 50 FFAA Cc1csc([C@H]2CCCN(C(=O)c3c(C)nn(C)c3-n3cccn3)C2)n1 189925786 PQEBEJOUVBSJSE-AWEZNQCLSA-N 370.482 2.699 0 50 FFAA COCc1noc(CNS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)n1 1506404271 YZFNMRCCCIUCGN-UHFFFAOYSA-N 367.471 2.609 0 50 FFAA O=C(c1cccs1)[C@@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 1529110802 PEFVAUKMAZJEAL-CQSZACIVSA-N 370.478 2.873 0 50 FFAA CC(=O)c1cc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n(C)c1 1529168623 IERMNLXLVLCNKA-XMSQKQJNSA-N 363.461 2.811 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H]2C(=O)O)c1 213405263 FFIFDHWQUJXWAN-MSOLQXFVSA-N 372.421 2.559 0 50 FFAA CC(C)n1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704352641 GAWCRNRTDGTNAW-UZLBHIALSA-N 364.449 2.688 0 50 FFAA CN1C[C@@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)CCC1=O 1775981935 KNYLVZQSFUBCJB-ZDUSSCGKSA-N 356.297 2.984 0 50 FFAA O=C(O)c1cc(NC(=O)c2ccc(Br)o2)cc(C(=O)O)c1 5077954 BCKGDBZJMNUHCV-UHFFFAOYSA-N 354.112 2.691 0 50 FFAA Cc1cccc(C)c1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 5755963 PCEGIJYXMAUBQV-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA Cc1ccn(CC(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)n1 11958477 ZBMJSBAJJFCIDK-OAQYLSRUSA-N 372.513 2.613 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 12706455 AFRAGMLQSBRKIF-QFIPXVFZSA-N 365.477 2.757 0 50 FFAA CCCC(=O)N1CC[C@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 12752479 LNRKMZDLUFJOMJ-OAQYLSRUSA-N 374.481 2.845 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 19789976 RFQWABFKDMESSD-UHFFFAOYSA-N 350.871 2.847 0 50 FFAA Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 169758255 LCSBEWGFWHZXAA-HNNXBMFYSA-N 364.340 2.801 0 50 FFAA Cc1ccc(CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 169779291 BYQWCZOGXLZIPL-UHFFFAOYSA-N 364.371 2.695 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)cc1 1857735919 VRNJEFWZEAUZCI-GPQLQYNLSA-N 366.461 2.997 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 230159407 CCZXEZBWLPFGQE-HLPPOEQASA-N 368.474 2.672 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cnn1C1CCCCC1 329076578 AWARETWJBXEJMD-OAHLLOKOSA-N 368.485 3.089 0 50 FFAA Cn1cc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)c(C2CCCCC2)n1 333239953 DPJXKCMPYJKCBZ-HKUYNNGSSA-N 374.529 2.826 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]([C@@H](C)N)C3)n2)cc1F 237337185 AFNDFCJZJMIAQC-HIFRSBDPSA-N 360.433 2.703 0 50 FFAA CNC(=O)c1cccnc1N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 247959436 PVFZSVBUSRCUEX-QUCCMNQESA-N 361.445 2.949 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cnc(SCc3ccccc3)nc1)C2 248042651 OSXQXIZPDGYURH-MSOLQXFVSA-N 368.506 2.822 0 50 FFAA CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 252506312 VYWGHNFRISWYGD-KRWDZBQOSA-N 367.511 2.675 0 50 FFAA CC[C@@H](OC1CCCC1)C(=O)N1CCc2c(nnn2-c2ccccc2)C1 366379472 QECSETPALVKPBQ-LJQANCHMSA-N 354.454 2.890 0 50 FFAA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(C(=O)OC)oc2C)[nH]n1 163186412 ZAXLRNMRWHSVEE-VIFPVBQESA-N 355.416 2.802 0 50 FFAA CC(C)(C)c1coc(CNS(=O)(=O)c2cccc3c2OCCC3)n1 907946949 BEEGOGSFNXFANY-UHFFFAOYSA-N 350.440 2.776 0 50 FFAA Cn1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2-c2cccc(F)c2)nc1O 952892994 QPKHYRXEBYEELF-HNNXBMFYSA-N 369.400 2.674 0 50 FFAA C[C@@H](NC(=O)[C@H]1NCCc2nn(C)cc21)c1ccc(C(F)(F)F)cc1 1875287420 KAPKDJGUVSOJSX-BMIGLBTASA-N 352.360 2.503 0 50 FFAA CC(C)CC(=O)N1CCC[C@H](NC(=O)c2cc3cc(Cl)ccn3n2)C1 1875297650 ZKZUPEDETGDPOH-AWEZNQCLSA-N 362.861 2.755 0 50 FFAA O=C([C@H]1CCOC2(CCC2)C1)N1CCC(N=c2cc[nH]cc2Cl)CC1 1875297015 ZMFBYMGGOIFHMV-AWEZNQCLSA-N 363.889 2.909 0 50 FFAA CO[C@]1(CO)CCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 1875299772 VIRQGBZBXDZKPA-MRXNPFEDSA-N 355.360 2.679 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(F)(F)[C@]3(CCOC3)C2)cc1 1875373559 GBZNGIBYHKSOHM-GOSISDBHSA-N 364.392 2.723 0 50 FFAA Cc1cc(C(=O)N[C@@H]2[C@H]3CCCN(Cc4cscn4)[C@H]3C2(C)C)n[nH]1 1875405024 LJPGUYZZSMTCGD-FVQBIDKESA-N 359.499 2.594 0 50 FFAA Cc1[nH]nc2c1C[C@@H](NCc1cnc3ccc(Br)cn13)CC2 2325788466 IDZLIFCJULSVMB-LBPRGKRZSA-N 360.259 2.775 0 50 FFAA CCn1ncc(Cl)c1CN1C(=O)Nc2c(C)cccc2S1(=O)=O 2325800489 MGGAAKIFJYPUEY-UHFFFAOYSA-N 354.819 2.601 0 50 FFAA CN1CC[C@@]2(CO)CN(Cc3cc(-c4ccccc4Cl)on3)C[C@H]2C1 2325803948 LRLXDSJILDXJKK-KUHUBIRLSA-N 361.873 2.741 0 50 FFAA COC(=O)CCc1cncc(NC(=O)[C@@H]2CCNc3ccccc3C2)c1 2325804651 BTLJKRIVUMIREF-MRXNPFEDSA-N 353.422 2.800 0 50 FFAA Cc1cccc(-n2nc([C@H]3CN(C)CCO3)nc2CC[C@@H]2CCCO2)c1 2325849773 ZWKXEQBETJWQLA-ZWKOTPCHSA-N 356.470 2.690 0 50 FFAA O=C(/C=c1/nc(O)/c(=C/c2cc(C(F)F)cs2)s1)c1ccco1 2325854564 KGNMVFORIKXDCQ-VFWKFLPVSA-N 353.371 2.933 0 50 FFAA Cc1ccn(-c2ccnc(C(=O)Nc3ccc(Cl)cc3CN(C)C)n2)n1 2325859854 NJJTVFVRFZJWGE-UHFFFAOYSA-N 370.844 2.938 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)c2cccnc2Oc2cccnc2)c1 2325868582 BPMPMGWZZJOCDV-UHFFFAOYSA-N 362.389 2.810 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cc(Br)nn2C)cc1 2325889803 XZTVWHGIZISSAA-UHFFFAOYSA-N 363.215 2.584 0 50 FFAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(N)=O)cc3n2)cc1OC 862863 WLTWFWVIWFWHJU-UHFFFAOYSA-N 366.299 2.531 0 50 FFAA CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1116969 IETULZNYDMALNS-UHFFFAOYSA-N 352.843 2.989 0 50 FFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1126662 ZMPGTHNHKUNGSO-UHFFFAOYSA-N 368.842 2.784 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3cnc4cnn(C)c4c3)c2n1 2356152364 GOBCELGOTZQGJY-UHFFFAOYSA-N 361.405 2.634 0 50 FFAA Cc1cn2c(=O)cc(CN3C[C@@H]4CC[C@H](C3)CN4CC3CCC3)nc2s1 1073280176 YZRGOPHMHHYRDN-AEFFLSMTSA-N 372.538 2.761 0 50 FFAA O=C([C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCC1 4746304 NXICJYYWFDHZOD-FQEVSTJZSA-N 355.526 2.985 0 50 FFAA COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(C)=O)c(OC)c1 8607042 FHZFQWAOCOMXNZ-UHFFFAOYSA-N 354.406 2.543 0 50 FFAA Cc1nc2c(C(=O)N[C@H](c3nccn3C)C3CCOCC3)cccc2o1 225485655 GDHYIUYZBOYYEG-INIZCTEOSA-N 354.410 2.767 0 50 FFAA CCN(C/C=C/c1ccccc1)C(=O)c1cc(S(N)(=O)=O)ccc1C 55195870 WCBIPBSMAMHSRT-JXMROGBWSA-N 358.463 2.818 0 50 FFAA C[C@@H](C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1ccnc1 67850045 ZMZAIZVZOIBOEM-NSHDSACASA-N 358.348 2.962 0 50 FFAA Fc1ccc(-c2nnn(CCCc3nc(Cc4ccccc4)n[nH]3)n2)cc1 65396634 XGVHCGFNIMEOHA-UHFFFAOYSA-N 363.400 2.821 0 50 FFAA CCOC(=O)CSc1nnc(COc2ccc(OC)cc2)n1CC 906723 NJCQJKQONSKPNQ-UHFFFAOYSA-N 351.428 2.541 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)NCc2c(C)ncc3c2CCNC3)c1 72417808 SAWSVIUOLSZRLJ-UHFFFAOYSA-N 361.449 2.664 0 50 FFAA Cc1nc(CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)cs1 77340305 JNQIDEQJVKKIPD-UHFFFAOYSA-N 365.886 2.922 0 50 FFAA O=C(Cc1cn2ccsc2n1)N[C@@H]1CCCN(CCc2ccccc2)C1 12442637 GXSLDJBEWBAXJS-QGZVFWFLSA-N 368.506 2.762 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccc(-n3cccn3)cc1)C2 76131950 LGJBGOBPJLDRIV-QGZVFWFLSA-N 363.417 2.748 0 50 FFAA CC[C@@H]1CN(Cc2ccc(OCc3noc(C)n3)cc2)C[C@@]2(CCOC2)O1 329982766 AOWVGIRTHSGSKC-YLJYHZDGSA-N 373.453 2.727 0 50 FFAA C[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 253432682 MQDADZGFFDENIW-QWRGUYRKSA-N 362.854 2.616 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(F)c1F 72476349 BPFCDQIPBYLRKR-KRWDZBQOSA-N 365.468 2.777 0 50 FFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1cnn(C[C@H]2CCCO2)c1 363693306 YGYFDYSJHRIQJS-MRXNPFEDSA-N 366.425 2.774 0 50 FFAA CNc1nc(C)c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)s1 72447775 JYNRVPKZLCXPQI-UHFFFAOYSA-N 370.522 2.809 0 50 FFAA 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COc1ccc(CNC(=O)C2CCN(c3nncc(C)c3C)CC2)cc1 1857682358 OAIBCQFQPYWGGX-UHFFFAOYSA-N 354.454 2.635 0 50 FFAA CC[C@@H](NC(=O)c1nc2ccccn2c1C)c1ccc(S(C)(=O)=O)cc1 1857728061 LJADECHQVJIEJK-MRXNPFEDSA-N 371.462 2.927 0 50 FFAA O=C(Cc1cccnc1)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857733914 FMDKACCJDKMOHC-GBESFXJTSA-N 371.868 2.608 0 50 FFAA COc1ccc(-c2cccc(C(=O)N[C@H]3C[C@H]4CO[C@@H](C)CN4C3)c2)cc1 1857736644 UXEGVVHCMOYENN-YSSFQJQWSA-N 366.461 2.954 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@@H]4CCC[C@@H](C3)C(=O)N4)c2c1 248330329 FMPZLDFLRIVTGO-HOTGVXAUSA-N 351.450 2.901 0 50 FFAA COc1ccccc1C(=O)NCC(=O)N[C@@H]1CC(C)(C)c2ccccc21 158214464 RCDAGIOPNLQAPQ-QGZVFWFLSA-N 352.434 2.964 0 50 FFAA COc1cccc(C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)c1 264764474 ZSIGEWVBAYVCLP-UHFFFAOYSA-N 357.454 2.942 0 50 FFAA Cc1nc(CCC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cs1 811564173 SRFTVLWISMGVOA-IBGZPJMESA-N 362.470 2.977 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c(O)n2)CCN1 825162378 LQABLUOABCMRNY-HNNXBMFYSA-N 365.355 2.901 0 50 FFAA N[C@H](C(=O)NC[C@H]1CCCc2nccn21)c1ccccc1C(F)(F)F 1875292863 VINCLCLEJYLSRW-ABAIWWIYSA-N 352.360 2.596 0 50 FFAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCc1cccc(-c2ccccn2)n1 1875396131 WLAHCXBFTSYGJH-GJULWVSJSA-N 373.460 2.861 0 50 FFAA C=CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875385892 DVUMGBDKQJBWTE-CHWSQXEVSA-N 354.372 2.847 0 50 FFAA Cc1c(Cl)ncnc1N1CC[C@](C)(NC(=O)c2ccc3c(c2)CC3)C1 1875405781 OIPNMFXSQLEBCM-IBGZPJMESA-N 356.857 2.936 0 50 FFAA CC(=O)N1C[C@H](NCc2ccc3c(c2)ncn3C)CC[C@H]1C(F)(F)F 886051568 FZRBCGHFRDYSJN-CJNGLKHVSA-N 354.376 2.605 0 50 FFAA COc1ccc(CN(C(C)=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 842640 XXQVTAIOGNYGHK-GOSISDBHSA-N 370.380 2.515 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cnnc2)cc1Cl 4709935 PBCZEEJMZOUWNJ-UHFFFAOYSA-N 356.769 2.944 0 50 FFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)n1 332068613 AOHZMHITTWYBKG-SECBINFHSA-N 362.238 2.863 0 50 FFAA CC(C)(C)c1cccc(OCCNC(=O)c2cccnc2-n2cncn2)c1 2325729494 HZIOYEAKZGCBOM-UHFFFAOYSA-N 365.437 2.769 0 50 FFAA CC(C)(c1ccc(NC(=O)CC2CC(=O)NC(=O)C2)cc1)C(F)(F)F 2325779952 STRNLOSLVQCSGG-UHFFFAOYSA-N 356.344 2.908 0 50 FFAA O=C(Nc1cccc2c1CNC2)c1cn(-c2cccc(Cl)c2F)nn1 2325857231 UNZXYSLZXBHXNB-UHFFFAOYSA-N 357.776 2.915 0 50 FFAA COc1ccc(OC[C@H](O)CN2CCN(c3c(C)cccc3C)CC2)cc1 20405472 URLHTCYFPUSOPZ-LJQANCHMSA-N 370.493 2.874 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)CC1 1157108 KBTNNPFOJORJSO-UHFFFAOYSA-N 359.451 2.755 0 50 FFAA CC(=O)Nc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)ccc1Cl 1168636 UQBTUMGUOPPOBS-UHFFFAOYSA-N 358.737 2.797 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCC[C@@H]3COCCN3)ncnc21 2356169537 TXBAPJNCHCHEDL-OAHLLOKOSA-N 360.506 2.615 0 50 FFAA C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3465424 AUPPKYXSZYESSX-CYBMUJFWSA-N 366.870 2.838 0 50 FFAA Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 4696342 WBKKBMKNERXIKH-MRXNPFEDSA-N 374.462 2.705 0 50 FFAA Cc1ccc(-n2nnnc2CSc2nnc3nc(C)cc(C)n23)c(C)c1 6759262 MVSINNDTFXWGTC-UHFFFAOYSA-N 366.454 2.626 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CO)[C@@H]1CCCOC1 412707280 IOADZQWBJGBXHV-HIFRSBDPSA-N 364.442 2.775 0 50 FFAA CN(c1ccc(OC[C@@H]2CCCN3CCCC[C@H]23)cc1)S(C)(=O)=O 55166680 FJJZGIKUXNYPKC-MAUKXSAKSA-N 352.500 2.726 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)c1 111834491 GISCMLYHBVENRR-OALUTQOASA-N 373.476 2.980 0 50 FFAA c1cc(CNc2ccnc(C3CC3)n2)cc(OCCN2CCOCC2)c1 112553816 WOMOJHUOYGYWRF-UHFFFAOYSA-N 354.454 2.677 0 50 FFAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)OCCO2 20313976 CBTMHMMKKBFTII-UHFFFAOYSA-N 354.406 2.542 0 50 FFAA COc1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)ccc1O 23360781 WKKLPXJTWWXHQQ-FQEVSTJZSA-N 370.493 2.778 0 50 FFAA CC(=O)N1CCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1 65383122 WZBCEASRQITMQS-IBGZPJMESA-N 352.438 2.531 0 50 FFAA C[C@H](OC(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N[C@@H](C)c1ccccc1 229409713 BRMUPVZAGXHCLK-SUNYJGFJSA-N 367.401 2.577 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2csc(-c3ccccn3)n2)cc1 120708531 GBEXEFBHFPQMKG-UHFFFAOYSA-N 359.432 2.632 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cc1 219404340 BVAOAGAYIKMKRJ-NRDMVMEKSA-N 370.493 2.825 0 50 FFAA OCCOCCN1CCN(Cc2cccc3c2oc2ccccc23)CC1 219392724 DOBMPTYXWJGRRR-UHFFFAOYSA-N 354.450 2.713 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C[C@H](O)CCc1ccccc1 328625456 DEAQGEHLPCDTEL-KSEOMHKRSA-N 370.541 2.729 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@H]3c3nccs3)n[nH]2)n1 11936719 ZBIHUOYOMYTXRS-HNNXBMFYSA-N 356.455 2.705 0 50 FFAA COc1cc(CN[C@@H]2CCC(O)=N[C@H]2c2cnn(C)c2)c2c(c1)C[C@@H](C)O2 328635585 NLOKVAQEADZBFK-LLSQANQASA-N 370.453 2.702 0 50 FFAA COCc1cc(NC(=O)N2CCC(c3noc(C(C)C)n3)CC2)ncn1 367932614 LMNYWPVYVRECAT-UHFFFAOYSA-N 360.418 2.541 0 50 FFAA CC(=O)N[C@H](CC(=O)NCCc1cccc(C(=O)O)c1)c1ccc(C)cc1 262265336 XGMQYMPIMOANAY-LJQANCHMSA-N 368.433 2.619 0 50 FFAA CC[C@H]1CN(C(=O)c2ccn(CC)n2)CCC(=O)N1Cc1ccccc1 71498443 LFLYRNXBUMLNDV-KRWDZBQOSA-N 354.454 2.556 0 50 FFAA COC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)O)C1)c1cccc(Cl)c1 263337999 MVTVHCQSNDDECV-WHOFXGATSA-N 354.834 2.780 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)c2c1 77522362 MUUYDEHUUKDYJF-UHFFFAOYSA-N 366.509 2.609 0 50 FFAA Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)n1 72433264 TXUYPLSRDNEYNB-RBUKOAKNSA-N 350.466 2.845 0 50 FFAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2-c2nnn[nH]2)C1 77523015 GUFITDKFOQUARU-HNNXBMFYSA-N 361.405 2.602 0 50 FFAA O=C(CSc1ccncc1)N1CCCN(C2Cc3ccccc3C2)CC1 219707076 QCGFOWHFFVRRRN-UHFFFAOYSA-N 367.518 2.875 0 50 FFAA C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1nc(C2CCCCC2)no1 173252990 PZJVFMLDRIQOLV-LBPRGKRZSA-N 369.425 2.638 0 50 FFAA Cc1nnc2ccc(SCC(=O)Nc3ccc(F)c(Cl)c3)nn12 44920419 ZSUPUPCSDVASLP-UHFFFAOYSA-N 351.794 2.956 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1cccc2c1OCCO2 426444864 DBFUPSNREXRLHC-UHFFFAOYSA-N 362.495 2.548 0 50 FFAA Cc1ccc2c(c1)CN(C(=O)NCc1ncnn1-c1ccccc1)CCO2 288750857 QFKZIECHSFVSRB-UHFFFAOYSA-N 363.421 2.680 0 50 FFAA O=c1[nH]c(NCC[C@@H](c2ccc(F)cc2)c2ccco2)nc2c1CCNC2 82098893 OTTYTVQKRVGZKW-HNNXBMFYSA-N 368.412 2.782 0 50 FFAA CN(C)CCN(CCO)C(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1 426521227 LPGLTNMJAPRGGL-UHFFFAOYSA-N 362.857 2.709 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)NCc1coc(-c2ccccc2)n1 133142363 ISWXOYXNEBJPDE-UHFFFAOYSA-N 374.400 2.758 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@@H]1CCOC[C@H]1OCc1cscn1 220342215 IZMKKIZKYLWLEG-IAGOWNOFSA-N 364.442 2.705 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)no1 426517798 GPRZINFUZODEKB-INIZCTEOSA-N 366.425 2.966 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2 91677897 ZYEUJJJHSVSFEM-CHWSQXEVSA-N 356.392 2.931 0 50 FFAA OCCn1nc(-c2ccncc2)nc1-c1ccc(C[C@H]2CCCNC2)cc1 96132649 IUZNXZJNCIMTOO-QGZVFWFLSA-N 363.465 2.542 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@@H]2CCCNC2)cc1 95381312 GGOMHFZIGLODCZ-HXUWFJFHSA-N 371.525 2.528 0 50 FFAA O=C(O)c1ccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)nc1 95367468 MYCMZGAWOMIHOA-MRXNPFEDSA-N 363.421 2.804 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN(c2cccc(C)n2)CC1 91452160 CWNLJNARUSRRQQ-UHFFFAOYSA-N 355.486 2.767 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 91876698 YMZCZXNSOKPDFY-QGZVFWFLSA-N 358.461 2.880 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCN(c3cccc(F)c3)C[C@H]2C)cs1 292224817 AVZDSNODMVJPCQ-LLVKDONJSA-N 362.430 2.592 0 50 FFAA O=C(c1cnn2c1CCC2)N1CCN(Cc2cccc3ccccc23)CC1 294246136 COHTZHOLLRBZOG-UHFFFAOYSA-N 360.461 2.941 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)c3cnc4ccc(F)cc4c3)CC2)CCO1 179360816 FSGFWKFQDHTGLG-AWEZNQCLSA-N 357.429 2.699 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nccn4C)C3)n[nH]2)cc1 95506084 ONMTZGKZQLYTPT-HNNXBMFYSA-N 365.437 2.839 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)CCc3cnn(C)c3)CC2=O)cc1 91689912 NHMSJNNFZVULAI-SFHVURJKSA-N 368.481 2.598 0 50 FFAA Cc1cccn2c(CC(=O)N3CCN(c4ccccc4F)CC3)cnc12 97766833 CVWZTCSDBQVOSK-UHFFFAOYSA-N 352.413 2.673 0 50 FFAA COCCN(C)C[C@@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@@H]1CO 91550401 ZTCLMOCKFQAUCS-CHWSQXEVSA-N 369.918 2.573 0 50 FFAA O=C1CCCc2occ(C(=O)N3CCNC(=O)[C@H]3CC3CCCCC3)c21 333736386 LRZTYDFBEIHIAL-OAHLLOKOSA-N 358.438 2.710 0 50 FFAA O=C(c1ccc(OC2CCN(C(=O)c3cnco3)CC2)cc1)N1CCCC1 95498986 PGIWMJKZNRTBBT-UHFFFAOYSA-N 369.421 2.594 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)c(F)c1)CC2 91644078 GWIFOHNGQWQOPA-UHFFFAOYSA-N 372.444 2.567 0 50 FFAA CCN(CCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1 181013195 LFZIKJFZCQPXLG-UHFFFAOYSA-N 373.423 2.733 0 50 FFAA Cc1cc2ccccc2n1CCN(C)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244852886 VBCZXOXLUJELNT-IYBDPMFKSA-N 351.454 2.697 0 50 FFAA CCN(Cc1ccncc1)C(=O)c1cccc(-c2cnn(CCO)c2)c1 534675363 NFHQJZWDJHIDMX-UHFFFAOYSA-N 350.422 2.600 0 50 FFAA Cc1ccccc1N1CCN(C(=O)N[C@@H](C)c2cn3ncsc3n2)CC1 534671372 YOHCBJCZLHLJFS-AWEZNQCLSA-N 370.482 2.692 0 50 FFAA CCCn1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c1C 72121046 NNUACIOESWLXQU-SFHVURJKSA-N 360.502 2.711 0 50 FFAA CC(C)n1cnnc1CCNC(=O)c1ccc([C@@H](C)N2CCCCC2)o1 299775097 JZUZVQXPYMOAIY-OAHLLOKOSA-N 359.474 2.971 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@H]2CC(=O)OC23CCCCC3)c1C 299758460 LHSBKPGJOPBLET-OAHLLOKOSA-N 360.454 2.931 0 50 FFAA COc1ccc(CCNC(=O)c2cccc(-c3n[nH]c(N(C)C)n3)c2)cc1 299786992 OQRTUZXNUZIVEZ-UHFFFAOYSA-N 365.437 2.519 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCC2(CC1)CNC(=O)O2 299782649 WDGWFAAGJIQFFL-UHFFFAOYSA-N 371.393 2.516 0 50 FFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1onc2c1CCCC2 828231288 QRKLUFQOZJFLTI-KRWDZBQOSA-N 365.477 2.915 0 50 FFAA Cc1cc(-c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)c(O)nn1 584889504 IJBKYBJYQPLELN-KRWDZBQOSA-N 366.421 2.783 0 50 FFAA Cc1noc(C)c1CN1CC[C@H](Nc2ccc(C(F)(F)F)cn2)[C@@H](O)C1 1565512427 ASWGJQIMOANQBQ-GJZGRUSLSA-N 370.375 2.753 0 50 FFAA COc1ccc(-c2noc([C@H](c3ccccc3F)N3CCOCC3)n2)cn1 170606767 XHDNRFLQUBQWPS-KRWDZBQOSA-N 370.384 2.701 0 50 FFAA Cc1cc2c(N3CCN(CCN4CCC(C)CC4)CC3)ncnc2s1 189526080 GBIJXIZRWGININ-UHFFFAOYSA-N 359.543 2.854 0 50 FFAA O=C(Nc1ccc(C(F)(F)F)cn1)C(=O)N(Cc1ccccn1)C1CC1 192999862 FWBVQCWUUYOMEB-UHFFFAOYSA-N 364.327 2.625 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 1506418318 WUQVXKGVMHYRII-HNNXBMFYSA-N 365.462 2.701 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCN(c3ccncc3)CC2)c1 1506430260 YJIVBKSKQCCABC-GOSISDBHSA-N 352.482 2.698 0 50 FFAA CN(C(=O)CCc1nc(-c2ccccc2)no1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529105389 ABESSSOZJQLBOA-WNKDZCFJSA-N 355.438 2.677 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CC3CCCC3)C[C@@H]2C(=O)O)c1OC 219560168 VEAOXIPAEOLPKO-CVEARBPZSA-N 361.438 2.911 0 50 FFAA CCC[C@]1(C(=O)O)CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC[C@@H]1O 1704328371 ZKCMHXNJCAHTNH-YJBOKZPZSA-N 364.829 2.899 0 50 FFAA O=C1CN(Cc2cncn2C2CCCCC2)C[C@H](Cc2ccccc2)N1 1772705737 ZFQQRXYWYNJXGK-SFHVURJKSA-N 352.482 2.931 0 50 FFAA Cc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c(C)c1 19367643 PLBIBSXYGPEYIV-OAQYLSRUSA-N 354.494 2.861 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(C)c(C)c3)nn2)n1 19924225 HHXOVGGVNVXFTP-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA COc1cccc(-n2cc(CN(C)[C@@H]3CCOC4(CCNCC4)C3)cn2)c1 1857669901 BLKHAONFYUSXDC-LJQANCHMSA-N 370.497 2.614 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C[C@H](C(C)C)O1 1857715869 LZPURIDJXMEOLO-QZTJIDSGSA-N 371.485 2.933 0 50 FFAA CCn1nc([C@@H](C)O)nc1C1CCN(c2nc3nc(C)ccc3o2)CC1 1857733450 LIZSEUCCFCOBOO-GFCCVEGCSA-N 356.430 2.580 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 122743784 DBUPVBCRYQFTNT-GHMZBOCLSA-N 353.300 2.729 0 50 FFAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c(C)cc1Br 237535317 DWUBLGRGGIMOTK-RYUDHWBXSA-N 361.305 2.566 0 50 FFAA C[C@]1(C2CCN(Cc3cnc(-c4ccccc4)s3)CC2)NC(=O)NC1=O 12131999 CIRRSDCDWNFCOI-LJQANCHMSA-N 370.478 2.620 0 50 FFAA O[C@@H]1[C@H]2C[C@@H]3CN(c4cncc(OCc5cccc(Cl)c5)n4)[C@H]1[C@H]3C2 249388811 BNPKUWSLYAQKNP-OIWPKRNSSA-N 357.841 2.915 0 50 FFAA COc1ccc(C(=O)N(C)[C@H]2CCCc3cccnc32)cc1OCCO 373941961 BTYLLAOGIQSQKK-INIZCTEOSA-N 356.422 2.611 0 50 FFAA CCOc1cccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 497520423 BTYFGEPUIDJHHQ-QFBILLFUSA-N 356.470 2.632 0 50 FFAA CCN(C)C(=O)[C@H](C)NC(=O)C(F)(F)c1ccc(Br)cc1 834309988 FVSHJMYCOVOINA-VIFPVBQESA-N 363.202 2.524 0 50 FFAA Cc1nc(COc2ccc(CNC[C@@]3(O)CCSC3)cc2)cs1 1875257160 JTXHMWCTMHZCEU-KRWDZBQOSA-N 350.509 2.988 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)ccc21 1875371680 IRYVQMJLPNKHIJ-CYBMUJFWSA-N 358.438 2.612 0 50 FFAA C=CC(=O)NCCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c(c1)CCO2 1875385801 BQBBBPKSAKWSTG-YJBOKZPZSA-N 356.466 2.945 0 50 FFAA Cc1nnccc1C(=O)NC[C@H]1CC(C)(C)CN1C(=O)CCC1(C)CC1 1875407196 UVAADDRFRDAXDS-OAHLLOKOSA-N 358.486 2.722 0 50 FFAA COCCN1C(=O)O[C@H](c2ccc(OC)cc2)[C@]1(O)c1ccc(OC)cc1 4697933 PQSKPSYLEOYJID-UYAOXDASSA-N 373.405 2.689 0 50 FFAA O=C1NCCCC[C@@H]1NCc1ccc(OC2Cc3ccccc3C2)cc1 299777135 JJKAGHNPLUNZAE-NRFANRHFSA-N 350.462 2.991 0 50 FFAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC)cc1 1467433 QSWJKDRATZGRGQ-MRXNPFEDSA-N 360.435 2.909 0 50 FFAA C[C@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc2ncnc(O)c2c1 2325719443 LXILWROXSYAAIP-SFHVURJKSA-N 373.409 2.956 0 50 FFAA Cc1cc([C@@H]2CCCN2c2cc(O)nc(=O)n2C)ccc1Br 2325780397 AVDBYWNNZGQZBQ-ZDUSSCGKSA-N 364.243 2.898 0 50 FFAA COC(=O)[C@H]1C(=O)N(c2ccc(C)cc2)C(c2ccccc2)=NC1=S 715363 DYRSNFLOVVQYNW-OAHLLOKOSA-N 352.415 2.905 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2ccc(F)cc2)cc(OC)c1OC 881791 FGCOBLNAEFNGEJ-UHFFFAOYSA-N 364.398 2.978 0 50 FFAA Cc1nc[nH]c1-c1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1Cl)C2 2356142284 MDVVGSLKKYMURM-NSHDSACASA-N 356.817 2.733 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3nccc4ncccc34)C1)CC2 2356156718 NQSZBGZQPIKAMV-NRFANRHFSA-N 360.465 2.970 0 50 FFAA Cc1nnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccc(-n3cccn3)c2)s1 2356156761 PGDCNZGUIXVAIT-ROUUACIJSA-N 366.494 2.885 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)C(=O)NC[C@H]1OCCc2ccccc21 2810512 SSCDKSJSYJVGGE-OXJNMPFZSA-N 366.461 2.554 0 50 FFAA COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)c(OC)c1 4828634 CUFPRULEHBLSCC-UHFFFAOYSA-N 361.350 2.672 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2F)c(C)c1 4978295 XDLOTTQRBFGETK-UHFFFAOYSA-N 368.405 2.807 0 50 FFAA Cc1cc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC[C@H]2C)on1 55224952 IEZMTENGXBFVPL-CYBMUJFWSA-N 356.426 2.642 0 50 FFAA CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 133496396 BJUAYKIUMFKCMI-ZWKOTPCHSA-N 353.422 2.605 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1ccc(F)cc1F)C2 1073266145 FCXSBFXVKHEFHO-CJNGLKHVSA-N 365.424 2.502 0 50 FFAA Cc1ccccc1NC(=O)CS[C@H]1CC(=O)N(c2ccccc2)C1=O 100277652 ZADMXLHOVXQNIY-INIZCTEOSA-N 354.431 2.999 0 50 FFAA CN(Cc1nccs1)c1nc2nonc2nc1NCc1ccccc1 20535945 BLSJRHAJDAVNEC-UHFFFAOYSA-N 353.411 2.718 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cccc3c2OCO3)C[C@@H]1CCO 20779062 HSXCIAHDNMAHKO-FQEVSTJZSA-N 368.477 2.793 0 50 FFAA Cc1cc(=O)[nH]c(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)n1 65535558 AHVWUCLZTGSIKZ-INIZCTEOSA-N 365.437 2.558 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)nc(C)n1 67612582 PCSODRHHEZFYHY-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA COc1cc(-c2coc3cc4c(c(O)c3c2=O)OCO4)cc(O)c1OC 14437440 PFFOGGCBLWTCPM-UHFFFAOYSA-N 358.302 2.617 0 50 FFAA biogenic,in-vitro CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1ncc(C)c(OC)c1C)C2 67677454 RUSZEHXPSZRMJO-CQSZACIVSA-N 372.469 2.611 0 50 FFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2CC1 116069581 DSDBDYVRIILEAD-LJQANCHMSA-N 352.434 2.581 0 50 FFAA COCc1nc(C(=O)NC2CCN(c3ccccc3OC)CC2)cs1 138579985 IZAJPUPFAKFWRR-UHFFFAOYSA-N 361.467 2.697 0 50 FFAA Cc1ccccc1CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 20418613 VGWDVPDGQCAHNG-UHFFFAOYSA-N 366.433 2.780 0 50 FFAA C[S@](=O)c1cccc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 118823168 BCCQBPUWYWYBIF-PVPMGCCUSA-N 371.462 2.630 0 50 FFAA O[C@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccccc2)CC1 22033318 ACMIQVOLDKSULT-IBGZPJMESA-N 360.885 2.898 0 50 FFAA NC(=O)c1cccnc1N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67789712 LSIMIDUFADJWMV-UHFFFAOYSA-N 361.449 2.878 0 50 FFAA O=C1Nc2ccccc2CC[C@H]1N1CCC(CCCN2CCOCC2)CC1 252507371 WJKXSUMCTOFUIR-OAQYLSRUSA-N 371.525 2.764 0 50 FFAA CC(C)(C)NC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1 65405570 DUOZBCSBQYPJRN-UHFFFAOYSA-N 355.442 2.849 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)n1 65500515 SWLBJFMFWVVPPH-GFCCVEGCSA-N 359.455 2.997 0 50 FFAA Cc1cc([C@H]2CCCN2S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)no1 229682822 IYOXDWKYMYTZBT-JOQOYGCGSA-N 366.483 2.845 0 50 FFAA COc1ccc(CN2CCC([C@@H](C)N3CCOCC3)CC2)c(F)c1F 72422921 LFELNSSZURZOKL-CQSZACIVSA-N 354.441 2.906 0 50 FFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(-c2ccco2)nc1C 485127219 ZXYRRFJQNKBDQQ-GOSISDBHSA-N 361.401 2.968 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(C(=O)N4CCCC4)CC[C@H]32)o1 72479724 FIYWGFCATVLXEC-FUHWJXTLSA-N 359.470 2.659 0 50 FFAA Cc1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1-n1cncn1 364449865 SSJPZLTWZXEIBD-NRFANRHFSA-N 359.433 2.672 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(C(F)(F)F)n[nH]1 72474537 ZOZCQRPOGYENBL-ZDUSSCGKSA-N 352.360 2.557 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2cnoc2C)[C@@H]2C3CCN(CC3)[C@H]12 72162065 PYGFACLXTJJMJT-MISYRCLQSA-N 367.449 2.694 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Cn2c(-c3cccs3)noc2=O)C1 282242368 QEHGQDCORGSJCJ-CYBMUJFWSA-N 355.419 2.727 0 50 FFAA Cc1occc1C(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71765413 TUYHELJYZWLUCJ-QGZVFWFLSA-N 373.497 2.527 0 50 FFAA O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cccc2cccnc12 332338782 LFSLSWCZZATXCF-UHFFFAOYSA-N 360.357 2.625 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccncc2F)C1 72469211 SFVQKMJUFQRZGQ-HNNXBMFYSA-N 358.465 2.719 0 50 FFAA O=C1CN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2N1 172713754 WDPGUKBDGGWQIS-KBPBESRZSA-N 350.374 2.547 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc21)c1ccoc1C1(O)CCOCC1 374005591 JDKXZJDCGFFNSI-CQSZACIVSA-N 357.406 2.574 0 50 FFAA CC(C)c1cc(C(=O)N2CCN([C@H]3CCNC3)CC2)c(O)c(C(C)C)c1 216470370 JOALCNGFHLHQDR-KRWDZBQOSA-N 359.514 2.759 0 50 FFAA Cc1nc(C)c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)O)c2)o1 262423198 GMJPUTBWHBGKAP-HNNXBMFYSA-N 371.393 2.623 0 50 FFAA O=C(O)C1(Oc2ccc3ncccc3c2)CCN(c2cnccn2)CC1 77515961 KVHLIOVKYSMNGG-UHFFFAOYSA-N 350.378 2.527 0 50 FFAA Cc1ccc2ncc(C(=O)NC[C@H](N)c3ccc(C(C)C)cc3)c(=O)n2c1 236795068 OBNUHFFLSHGSPD-SFHVURJKSA-N 364.449 2.556 0 50 FFAA COC(=O)c1ccc(NC(=O)C(F)(F)F)c(I)c1 34600667 BFYBYOHSZXWQSJ-UHFFFAOYSA-N 373.068 2.579 0 50 FFAA CC(=O)N1C[C@@H](C)CN(Cc2ccc(C(=O)N(C)C)[nH]2)c2ccccc21 377840563 SYPXUIAWOSFGFU-AWEZNQCLSA-N 354.454 2.726 0 50 FFAA CC[C@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CC[C@@H]1c1ccccc1 237080397 WWHUBHRWHKVSTE-LPHOPBHVSA-N 367.497 2.859 0 50 FFAA CN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCNCC1 237120961 TYUYZFVFGDNEET-UHFFFAOYSA-N 367.478 2.820 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@@H]2CC(=O)O)cc1 263077056 YUDWEWHUJJKVQR-MRXNPFEDSA-N 372.421 2.879 0 50 FFAA CNc1ncccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 72426862 OBADFHAARJBYRW-MRXNPFEDSA-N 356.445 2.999 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(C)o1)C2 72172744 HIMSWWRZHXGDKH-SBHAEUEKSA-N 362.514 2.927 0 50 FFAA CC[C@@H](NC(=O)c1cccc(-c2cc(N(C)C)ncn2)c1)c1ccnn1C 426370823 SSEXJRAJPRBENE-MRXNPFEDSA-N 364.453 2.824 0 50 FFAA OC[C@]1(Cc2ccc(F)cc2)CCN(Cc2nc(O)c3sccc3n2)C1 288746161 HULYRDCCCMBZBD-IBGZPJMESA-N 373.453 2.963 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccccc3Cl)C(=O)C1)OCO2 82119966 SHTOUKYEBKHPQT-UHFFFAOYSA-N 374.824 2.926 0 50 FFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@](CO)(c2ccccc2)C1 291171814 JZKGEPVFXOFYCQ-QFIPXVFZSA-N 361.445 2.708 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)N(CCO)Cc2ccccc2F)c1C 426615232 YXXKJRXXFQESPI-ZDUSSCGKSA-N 362.449 2.924 0 50 FFAA CCc1nc(C)c(CNC(=O)Nc2cccc(-c3nnn(C)n3)c2)s1 426535721 LXNFVHPXQTYXNV-UHFFFAOYSA-N 357.443 2.526 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCCN(C(=O)c2ccco2)CC1 95377964 XUYLVGIQWGQCFK-OAHLLOKOSA-N 358.442 2.535 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)N[C@@H](Cc3ccncc3)C(=O)O)c(C)c2c1 95521708 RLGLLYBLXKOJHY-INIZCTEOSA-N 351.406 2.914 0 50 FFAA COC[C@@H](C)NC(=O)C1CCN(C(=O)Nc2cc(C)cc(F)c2)CC1 97785183 OAANVSDQXWLXFQ-CYBMUJFWSA-N 351.422 2.529 0 50 FFAA O=C1NCCC[C@]12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2 91452182 MJXLPPFEDWHQRX-JOCHJYFZSA-N 353.510 2.746 0 50 FFAA OCc1ccnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 95525778 YVHOVYJGJUZHCZ-OAHLLOKOSA-N 355.467 2.659 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CC(Oc3ccccc3F)C1)C2 91663276 RGVIRCBTILXULC-AWEZNQCLSA-N 357.381 2.675 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 95526377 BWQQBUQCJVQINK-OAHLLOKOSA-N 363.408 2.756 0 50 FFAA CSCCc1nc(CCN2CCCC2=O)n(-c2ccc(F)cc2F)n1 96148707 CZNLQGCHVNUFTK-UHFFFAOYSA-N 366.437 2.616 0 50 FFAA O=C(NCc1noc(Cc2ccccc2)n1)[C@H]1CCCN(C2CCCC2)C1 95359521 DSEHTCPAUCNDBJ-KRWDZBQOSA-N 368.481 2.931 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3ccc(-c4cc[nH]n4)s3)C2)N1CC1CC1 95389395 JXTFUDDRSGMDJZ-LSDHHAIUSA-N 356.495 2.971 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1cc(Cl)ccc1Cl 239174408 PYZCUHUAMFBDKA-BZPMIXESSA-N 356.253 2.721 0 50 FFAA O=c1c2ccccc2c(-c2ccccc2)nn1Cc1nc([C@@H]2CCOC2)no1 96137361 ZIGHYCZSQCFBAR-OAHLLOKOSA-N 374.400 2.999 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H](C)n1ccnc1C(C)C)OCCO2 95530232 OXHYLFUQLNGXRI-CYBMUJFWSA-N 359.426 2.664 0 50 FFAA CN(C)C[C@]1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 96166430 JDJZIFNQIQLBBW-OAHLLOKOSA-N 363.355 2.765 0 50 FFAA CCCn1ncc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1C 92002103 MRFMVXHSWHDILV-UHFFFAOYSA-N 352.442 2.664 0 50 FFAA CCCc1cc(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)[nH]n1 181142248 RJGAPEUNQCHGNG-UHFFFAOYSA-N 363.465 3.000 0 50 FFAA COc1ccc(C2(C(=O)NCCc3cn4cccnc4n3)CCCC2)cc1 244811721 SJXPTWHOSZJSLF-UHFFFAOYSA-N 364.449 2.909 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 299752974 WHAYBHGUFMSGMM-GWCFXTLKSA-N 361.316 2.644 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC(Oc2ccncc2)CC1 252504220 VIJYFOKCVFWPQJ-UHFFFAOYSA-N 354.406 2.813 0 50 FFAA CCc1ccc(CN(C)C(=O)NC2(CN3CCOCC3)CCCCC2)nc1 534589450 BQOXDDFXESPKSR-UHFFFAOYSA-N 374.529 2.821 0 50 FFAA COC(=O)c1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(O)c1 534656778 BSABYBRSWSKWFY-INIZCTEOSA-N 355.390 2.755 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cc(C)no1)CC2 299763643 QBOMFUCRLPKJCZ-URLQWDBASA-N 357.410 2.609 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)c1 824774960 YGYJBEDYNWFATE-INIZCTEOSA-N 352.390 2.967 0 50 FFAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H](O)c1ccc(C(F)(F)F)cc1 828400418 GRKPLHGYNZXUNR-CQSZACIVSA-N 365.311 2.637 0 50 FFAA CCCOc1cccc(CCNC(=O)N2CCC3(CCC(=O)NC3)CC2)c1 584903032 NSMNMLJBXHAORT-UHFFFAOYSA-N 373.497 2.720 0 50 FFAA COc1ccc2c(c1)[C@H](C)N(C(=O)NCCCn1c(C)cccc1=O)CC2 584887124 BKZPXQYEBVBFML-INIZCTEOSA-N 369.465 2.884 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)c1ccccc1N1CCOCC1 952979330 ILAQNLQKWRIZPO-UHFFFAOYSA-N 370.453 2.884 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]2N(C)C)cc1 1565512937 MKOVYNQWCBXXRT-MOPGFXCFSA-N 366.461 2.822 0 50 FFAA COc1ccc(C2(C(=O)N[C@H]3CCOC[C@@H]3OCC3CCC3)CC2)cc1 1565516100 POQDCDWSLFKXDR-OALUTQOASA-N 359.466 2.817 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2c[nH]c3cc(Cl)ccc3c2=O)C[C@@H]1N(C)C 1565525793 VKIAZWYOAUZQQM-WBVHZDCISA-N 361.873 2.840 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565530456 BTYUXBJKWTYHBF-UXHICEINSA-N 366.509 2.898 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(Cl)cc3cccnc23)cn1 275593756 PWZJNCFCMBJKDG-APWZRJJASA-N 369.856 2.731 0 50 FFAA CC(C)(C)n1cc(-c2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)cn1 771548556 ZAWYAYFEPGNWBF-HXUWFJFHSA-N 367.453 2.782 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)C[C@H](C2CC2)O1 1529119451 HQSWJUOXVRFAKB-SJLPKXTDSA-N 365.495 2.900 0 50 FFAA O=C1CN(C2CCN(c3ccccc3F)CC2)C[C@H](Cc2ccccc2)N1 1772708792 KLLVFZROSXRYAZ-SFHVURJKSA-N 367.468 2.838 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)CC3CCCC3)CC2)C1 11838300 QXJRPCWOJRPOFM-KRWDZBQOSA-N 361.530 2.548 0 50 FFAA CC(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 12056370 JYZXWLNEFPWFCA-KRWDZBQOSA-N 357.454 2.699 0 50 FFAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CSC)cc1 12201888 RACTWZRSECPYRA-UHFFFAOYSA-N 350.528 2.771 0 50 FFAA CC(C)C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12314331 MRRJDHCSMCVIDG-LJQANCHMSA-N 350.409 2.962 0 50 FFAA O=C(NCc1scnc1-c1ccccc1)[C@H]1CCC(=O)N(C2CC2)C1 12597612 QPBBRUHQCSJBAS-AWEZNQCLSA-N 355.463 2.827 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1OC 19782325 UARKOGROBWPXTN-LJQANCHMSA-N 372.513 2.874 0 50 FFAA CCOC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 19791505 RYSVWVYAINXJCG-UHFFFAOYSA-N 350.806 2.664 0 50 FFAA CCC(CC)C(=O)N1CCC[C@@]2(CN(Cc3cnsc3)CC[C@H]2O)C1 1857689087 DDPILROFWWCPMF-IEBWSBKVSA-N 365.543 2.755 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(c3ncnc4[nH]ccc34)CC1)OCC2 1857707130 FXVPJNIGHADDIL-UHFFFAOYSA-N 370.434 2.786 0 50 FFAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@H]1CC[C@@H](OC)[C@H](N)C1 1857730130 YYONKEZIFBFNPO-GVDBMIGSSA-N 372.469 2.536 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(C)c1 1857731284 NYPGFIUOAKUQOR-IXIUHKBRSA-N 359.470 2.577 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(Cc4ccc(F)cc4)C[C@]34CC[C@H]2O4)CC1 1857733066 UAIXYBGVSICZFJ-XKGFGPFHSA-N 358.457 2.721 0 50 FFAA C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(CC(=O)N2CCCCCC2)C1=O 333525492 LIAZFDXSXAAJTH-IBGZPJMESA-N 362.857 2.759 0 50 FFAA Cc1nc(-c2cc(=O)[nH]c(-c3ccc(CN(C)CCCO)cc3)n2)cs1 23581533 BNECTWAYSGASOJ-UHFFFAOYSA-N 370.478 2.683 0 50 FFAA CCc1nnsc1C(=O)N[C@@](CC)(C(=O)O)c1ccc(Cl)cc1 262115210 MWUPQCHDDZSVOR-OAHLLOKOSA-N 353.831 2.874 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 375356641 OYZFTCLFYXONEY-AWEZNQCLSA-N 354.406 2.953 0 50 FFAA C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CCO1 263277945 YGHZZUAUXHAOSP-AAEUAGOBSA-N 370.243 2.677 0 50 FFAA CCc1nc(C)c(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)[nH]1 1704330846 HICQCUIZTYPTOI-HXUWFJFHSA-N 354.502 2.617 0 50 FFAA Clc1cc(CCSc2nnc3nc[nH]n23)cc2c1OCCCO2 920166728 QUKSGORMURECHP-UHFFFAOYSA-N 351.819 2.602 0 50 FFAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)C[C@H]3CCc4ccccc43)C2)cn1 868455831 MKNBZBLTZLLETJ-ZACQAIPSSA-N 367.449 2.557 0 50 FFAA O=C(CCCn1cccc1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952849112 XXBFEQOWPDOSGA-SJORKVTESA-N 353.470 2.916 0 50 FFAA COCCCOCC(=O)N1CC(C)(C)[C@H]1c1nccn1Cc1ccccc1 952890943 OFQAUPVNJXMFLU-LJQANCHMSA-N 371.481 2.894 0 50 FFAA COc1ccc2cc(C(=O)N3CCC(c4cc(O)no4)CC3)ccc2n1 1875296317 QAXFLWFZXHXPFZ-UHFFFAOYSA-N 353.378 2.957 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc3[C@@H]2C(F)F)C1 1875382294 XGNTWBROELCKPU-SUMWQHHRSA-N 364.392 2.638 0 50 FFAA COCCn1nc2c(c1C(=O)NCc1ccccc1F)C[C@H](C)O[C@@H]2C 1875314642 KEGHUKTZWQLWOE-QWHCGFSZSA-N 361.417 2.621 0 50 FFAA COC(=O)[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)NCc1ccc2c(c1)cc(C)n2C 1875304099 ZVXQGZSXSXDIFV-NRSFXHEJSA-N 369.465 2.874 0 50 FFAA CC(C)CCN1C(=O)[C@]2(CCN(C(=O)c3cn(C)cn3)C2)c2ccccc21 2100534273 AIXJYWIDKUHQCT-NRFANRHFSA-N 366.465 2.597 0 50 FFAA COc1ccc(N)c(NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)c1 2325745385 UZZPRKYKHJIRSV-UHFFFAOYSA-N 356.426 2.737 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1noc(-c2cc3c(s2)CNCC3)n1 2325771027 URGLTRPLMMAQDF-UHFFFAOYSA-N 355.345 2.863 0 50 FFAA Cn1cc(-c2noc(-c3cc4c(N5CCNCC5)cccc4s3)n2)cn1 2325771037 XQNPGESDZBXPEJ-UHFFFAOYSA-N 366.450 2.761 0 50 FFAA O[C@]1(C(F)(F)F)C[C@@H](NCc2c(Br)noc2C2CC2)C1 2325802705 WOAIHDBEMNXMAS-AGGWVSIMSA-N 355.154 2.860 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(CC[C@H](C(F)F)N2CCOCC2)C3)cc1 2325803853 GNWSGNQZKATHKF-NLWGTHIKSA-N 350.453 2.924 0 50 FFAA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2ccc(OC3COC3)cc2)cn1 2325816567 AKFPKCYRWQARJH-MOPGFXCFSA-N 371.437 2.958 0 50 FFAA Cc1nccn1Cc1cccc(NC(=O)c2c[nH]nc2-c2ccnn2C)c1 2325876053 JHIVRATZZZLESE-UHFFFAOYSA-N 361.409 2.616 0 50 FFAA CN1CC[C@@H](C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)CC1=O 151627377 IONNSTSOOYYBMD-QZTJIDSGSA-N 356.466 2.899 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cccc(O)c2)C(C)C)cc1 628254 NBCBSOZIAXVGSR-QGZVFWFLSA-N 362.451 2.642 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=S)Nc2cc(OC)cc(OC)c2)C1 1122558 ZPJUILHBZKAFKF-LBPRGKRZSA-N 352.456 2.676 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356144733 KLVOUUNSQSCAMD-NRFANRHFSA-N 350.466 2.637 0 50 FFAA Cc1nc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)cs1 2356149207 PGNWUKPVJONQLC-IBGZPJMESA-N 370.478 2.644 0 50 FFAA O=C(Cn1nnc2ccccc21)OCC(=O)c1cccc(Br)c1 2532880 AFCRVSMLCYKOTJ-UHFFFAOYSA-N 374.194 2.620 0 50 FFAA C[C@H](C(=O)NCc1cccc2ncnn12)N1C(=O)c2cccc3cccc1c23 2356160031 ZTKCJRXPLICQFO-CYBMUJFWSA-N 371.400 2.548 0 50 FFAA COc1cccc(CNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)c1 2356163554 INUOHOQGBCUNKM-UHFFFAOYSA-N 372.490 2.838 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3ccc(=N)[nH]c3)C2=O)cc1 2356163982 ZILTWUWAVPIGBQ-NRFANRHFSA-N 364.449 2.604 0 50 FFAA O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NC1CC1 2985413 JJHZPZGWYCSABV-UHFFFAOYSA-N 364.854 2.814 0 50 FFAA O=C(c1ccnc(O)c1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280014715 MXIYSNCHFYRPOF-RISCZKNCSA-N 352.312 2.754 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(NC[C@@H]2COc3ccccc3O2)n1 55393081 GDIVCXUONNNHOC-CQSZACIVSA-N 351.410 2.746 0 50 FFAA CC(C)n1cc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)cn1 22853578 UQTOXLCVBXNSJW-LJQANCHMSA-N 360.477 2.672 0 50 FFAA CCN1CCN(c2c(Cl)cccc2NC(=O)CN2CCCC2)CC1 55088504 ASJPXPYEXRIDPJ-UHFFFAOYSA-N 350.894 2.516 0 50 FFAA COC(=O)c1nc(NC(=O)[C@H](CCSC)n2cccc2)sc1C 170625671 ZDBHOQGIQRAHBZ-NSHDSACASA-N 353.469 2.973 0 50 FFAA CCn1c(CN2CCN(CCC(C)C)[C@@H](CCO)C2)nc2ccccc21 107100317 KIZJTCXRQASHCF-SFHVURJKSA-N 358.530 2.971 0 50 FFAA Cc1cnc(NC[C@H](c2cccnc2)N2CCCC2)nc1-c1ccnn1C 20785025 XTULGIWGMLOYEG-GOSISDBHSA-N 363.469 2.830 0 50 FFAA Fc1ccc(Cn2ncc3c2CN(c2nnnn2-c2ccccc2)C3)cc1 67642241 YJRJZAMDYANYIP-UHFFFAOYSA-N 361.384 2.566 0 50 FFAA CNC(=O)c1n[nH]c2c1[C@@H](c1cnc(-c3ccccc3C)s1)CC(=O)N2 65399332 DOTBZMSHJPGUIE-LLVKDONJSA-N 367.434 2.675 0 50 FFAA CCN1C[C@@H](CN(C)C2CCC3(CC2)CCN(C(=O)OC)CC3)CC1=O 67946861 YGWGXBQTJUIHLB-MRXNPFEDSA-N 365.518 2.578 0 50 FFAA O=C([C@H]1CCN(C2CCCCC2)C1)N1CCC(c2nncn2C2CC2)CC1 330082791 BAALQKVVUSLHBE-KRWDZBQOSA-N 371.529 2.974 0 50 FFAA O=S(=O)(c1ccccc1)N1CCC(n2cc(C3CCCC3)nn2)CC1 63835015 VVEOZKGGVPPTGV-UHFFFAOYSA-N 360.483 2.962 0 50 FFAA Cc1cc(C)cc(OCn2ccc(C(=O)NCc3cnn(C)c3C)n2)c1 2799381 ULIRWUAZHJCFJO-UHFFFAOYSA-N 353.426 2.508 0 50 FFAA COC(=O)c1ccc(CNC(=O)CN2CCCCC[C@@H]2c2ccco2)o1 77321182 GTFDDGDBFKNLKQ-OAHLLOKOSA-N 360.410 2.893 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C[C@@H]1CCCCO1)CC2 328623931 CDXXFBPKXXTRGV-HOTGVXAUSA-N 363.527 2.915 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CN[C@H]2CCc3ccccc3C2)CC(=O)N1C 328624467 JYGWJPKXFRYJLQ-CNNODRBYSA-N 366.509 2.703 0 50 FFAA CCn1ccnc1CN(Cc1nc2c(s1)CCC2)[C@@H]1CC12CCNCC2 328627015 FQZUPDPPXBPCJM-QGZVFWFLSA-N 371.554 2.993 0 50 FFAA C[C@H]1COc2ccccc2CN1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363686608 GNLIQZDXCPEPSF-YOEHRIQHSA-N 356.426 2.877 0 50 FFAA COc1cccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)c1F 219672172 GLPDPKHEJYTUOY-CVEARBPZSA-N 363.360 2.940 0 50 FFAA Cc1cccc(N2CCN(CC(=O)Nc3cccc4nonc34)CC2)c1C 13324546 SSJLHTRWIMZICP-UHFFFAOYSA-N 365.437 2.600 0 50 FFAA CNCCC1CCN(C(=O)c2cc(Br)c3c(c2)OCO3)CC1 262008385 HCFDTOSLTPUJCA-UHFFFAOYSA-N 369.259 2.640 0 50 FFAA CC(=O)OC[C@H](NC(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccccc1 71769204 SGBVBMQGCSQXIP-OALUTQOASA-N 355.390 2.653 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 77516091 NTHYEKAZCVOZPP-ZDUSSCGKSA-N 363.364 2.757 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCn3cc(C)cn3)CC2)OC1=O 77522112 GMGYNCBVXMCMRW-MRXNPFEDSA-N 362.474 2.584 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)n[nH]1 43004819 XTYYENLEWZGUFI-HXUWFJFHSA-N 374.504 2.816 0 50 FFAA C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1nc(C2CCCCC2)no1 173253004 PZJVFMLDRIQOLV-GFCCVEGCSA-N 369.425 2.638 0 50 FFAA Cn1ccnc1[C@@H](NCc1ccc(-n2ccnc2)cc1)C1CCOCC1 284418406 DOQQBVKHHDYXTI-IBGZPJMESA-N 351.454 2.863 0 50 FFAA O=C(NCCc1noc(CO)n1)c1cc(-c2ccccc2)nc2ccccc12 220154652 FYIKNJOQHQYYCS-UHFFFAOYSA-N 374.400 2.750 0 50 FFAA O=C(CCn1sc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 40285541 LSRGUJGYDOCRAY-UHFFFAOYSA-N 356.403 2.863 0 50 FFAA Cc1cccc(SC2CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC2)c1 82097044 WFSTXDOUODIEFF-UHFFFAOYSA-N 371.506 2.952 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=S)N2C[C@H](C)C[C@@H](C)C2)cc1 17073529 RATRCSPQVNQSAR-CHWSQXEVSA-N 355.529 2.660 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)COc2cc(C)ccc2C)n1 289095112 LQHOOJFSEPXIIF-OAHLLOKOSA-N 358.442 2.701 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)c1nc2ccc(Cl)cn2c1F 426412714 HTRNZQYDJXJOSI-SECBINFHSA-N 350.785 2.619 0 50 FFAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 426580989 QESBDMWHSGXCDX-OAHLLOKOSA-N 364.405 2.536 0 50 FFAA C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 178017098 SVXXCXUKJMUSSP-AWEZNQCLSA-N 366.417 2.934 0 50 FFAA COC(=O)c1cc(NC(=O)NC2(C(N)=O)CCCCCC2)ccc1Cl 95513136 XAESEDVUXKBWKC-UHFFFAOYSA-N 367.833 2.826 0 50 FFAA O[C@H](c1ccccc1)c1nc(CN2CCOCC2)n(C2CCCCC2)n1 96137514 LIPPTTYRNZYRKC-LJQANCHMSA-N 356.470 2.697 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91518912 GPZFZVVLTKMDEX-KRWDZBQOSA-N 362.433 2.669 0 50 FFAA O=C(c1ccc(O)c(Cl)c1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 92022431 MGDFEZYTKSYPFS-HZPDHXFCSA-N 366.889 2.602 0 50 FFAA CC(C)(C)c1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)[nH]n1 91587332 UXFFBXLJVJPZPE-LSDHHAIUSA-N 371.437 2.736 0 50 FFAA CCCSCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95373176 XWYWZNRXIZWHDS-DFQSSKMNSA-N 360.523 2.924 0 50 FFAA CCCNCCNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 236829782 ZKNFKSIVDORFLS-UHFFFAOYSA-N 366.465 2.951 0 50 FFAA Cc1ccc(N2C[C@H](C)N(CC(=O)NCc3ccccc3C)CC2=O)cc1 91951437 OODDCRHUDXVDOT-SFHVURJKSA-N 365.477 2.657 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)CCCn1nc(C)cc1C)C2 91550646 FFQLGARMPLPHLM-KRWDZBQOSA-N 357.454 2.608 0 50 FFAA CCc1cc(CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)n[nH]1 426712779 PUTHAYMAOQQAPY-CMKODMSKSA-N 356.470 2.958 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](Nc2ncccn2)CN1CCC1=C(C)CCCC1(C)C 96180167 TUCPTCPSUQRBIY-AEFFLSMTSA-N 371.529 2.994 0 50 FFAA COc1c[nH]c(C(=O)NCCCSCc2ccccc2F)cc1=O 97729559 QQHBFRAWIWJNND-UHFFFAOYSA-N 350.415 2.576 0 50 FFAA COCCN(C)CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 92038579 MHYYXBKAEWDGGG-UHFFFAOYSA-N 374.403 2.653 0 50 FFAA Cc1nc(N2CCC(NCCCn3ccnc3)CC2)c2ccsc2n1 95526420 GVONJKVIQCIPJR-UHFFFAOYSA-N 356.499 2.845 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1nc3ccc(F)cc3[nH]1)C2 91586040 NFXHQJMVEFFBFB-ZDUSSCGKSA-N 369.396 2.920 0 50 FFAA CCc1cccc(OC2CN(C3CCN(c4cc(C)nc(N)n4)CC3)C2)c1 95391494 PAHIIINHURIDBQ-UHFFFAOYSA-N 367.497 2.662 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2csc(C(C)=O)c2)C1 95530098 PMHUKVMTAWHZAJ-CQSZACIVSA-N 361.467 2.813 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N[C@@H](C)c2cc(F)cc(F)c2)cc1 97505363 ASAZBFWDYQVMFF-NSHDSACASA-N 357.364 2.799 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccc[nH]c1=O 91737750 DLAFXXUFASKJKY-CYBMUJFWSA-N 369.469 2.733 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 91289497 UATJDIACMFBWTG-OAHLLOKOSA-N 354.414 2.692 0 50 FFAA CN1CCCCC[C@@H]1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 91604266 NOGMCNKMRKIIGV-OAQYLSRUSA-N 355.526 2.563 0 50 FFAA Cc1cnccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccco3)C2)CC1 95366533 BUTVKQGZIPBHQJ-SFHVURJKSA-N 368.481 2.544 0 50 FFAA Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)n1 91563482 VHYXQFQBZLJUHB-UHFFFAOYSA-N 365.412 2.882 0 50 FFAA COCCN(C)C[C@H]1C[C@H](CO)CN(Cc2c(F)ccc(C)c2Cl)C1 91997432 SIEBNVOTJNVUFF-CVEARBPZSA-N 372.912 2.796 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CCCC[C@H]2c2ccccn2)cc1 244773916 PISDZHHTVRTNJG-FQEVSTJZSA-N 366.465 2.883 0 50 FFAA Cc1cc(C)n(C2CN(C[C@H]3CN(Cc4ccccc4)CCCO3)C2)n1 243956738 CCZOXFTWSLMXRY-OAQYLSRUSA-N 354.498 2.648 0 50 FFAA O=C(NC1CCN(C(=O)NCC[C@H]2CCCCO2)CC1)c1ccccc1 181829964 VJQRPFPOQNAMOE-GOSISDBHSA-N 359.470 2.550 0 50 FFAA C[C@@H](NC(=O)c1cnc2ccc(F)cc2c1O)c1nnc2ccccn12 253496398 PMSHYXKXOQMKEN-SNVBAGLBSA-N 351.341 2.613 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(O)nc1C 253535181 GMTXBDPSBHWZAN-FCEWJHQRSA-N 368.433 2.581 0 50 FFAA C[C@H](NC(=O)c1ccc(CSc2ccccn2)cc1)c1ncnn1C 252494369 NTZGARWTBSULLO-ZDUSSCGKSA-N 353.451 2.993 0 50 FFAA Cc1ccccc1[C@@]1(CC(=O)NCCc2nncn2C)CCOC(C)(C)C1 299769824 QWUJLMWBUOXQON-OAQYLSRUSA-N 370.497 2.699 0 50 FFAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(COc2ccccc2)cc1 828157148 AAIYBXFASQAFCE-RTBURBONSA-N 350.418 2.816 0 50 FFAA Cc1ccccc1[C@@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccccc1 584891830 ZIOJUFRSALGHCN-FQEVSTJZSA-N 367.493 2.840 0 50 FFAA O[C@H]1CN(Cc2cscn2)CC[C@@H]1Nc1ccc(C(F)(F)F)cn1 1565530570 WULBGUVKTZDRFM-STQMWFEESA-N 358.389 2.604 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1onc2c1CCCC2 1565530967 KRHKMAJJSDUBOG-IRXDYDNUSA-N 360.385 2.659 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 166732305 LUUPCDZJWKTCML-HXUWFJFHSA-N 374.444 2.977 0 50 FFAA Cc1nc(C)c(NC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)s1 275604677 UKEOEHMZWFUZGI-LLVKDONJSA-N 351.432 2.872 0 50 FFAA Cc1cc(N2CCN(C(=O)Nc3ccc(OCC(C)C)nc3)CC2)n[nH]1 188203686 ZROBGKIUYIMXAY-UHFFFAOYSA-N 358.446 2.502 0 50 FFAA CC(C)OCCS(=O)(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 188342289 BALITWAMJZJXEM-XJKSGUPXSA-N 361.891 2.857 0 50 FFAA O[C@]1(c2cnn[nH]2)CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 794046204 YERBCDDDBCGJRY-QGZVFWFLSA-N 359.817 2.597 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 1506404252 GQCZVIFSBTVETI-GOSISDBHSA-N 350.503 2.833 0 50 FFAA CN(Cc1ccc2nsnc2c1)C1CCN(C(=O)c2ccncc2)CC1 1506415982 RTDCEVSFOSLRPP-UHFFFAOYSA-N 367.478 2.823 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CCCCn2nnnc21 1506410322 KCZVLRBUAIOFKB-HNNXBMFYSA-N 363.849 2.522 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCC(C)(C)C)cc1OC 1529192158 PQGBLFFMHSNEHQ-IEBWSBKVSA-N 365.470 2.791 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)CSc2nnc(C)o2)c1 1529113681 HVBXDKDMGGKDOW-UHFFFAOYSA-N 357.439 2.970 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCC3(C=C(C)CCO3)CC1)C2 1704302254 FWOPPEHOYVHSCP-QGZVFWFLSA-N 357.450 2.974 0 50 FFAA CC(C)Oc1ccccc1OCCN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704335952 ITNGBHDTWKAOMC-RTBURBONSA-N 356.466 2.783 0 50 FFAA CSc1nccc(N2CCCN(C(=O)c3ccc(Cl)cn3)CC2)n1 1772808894 DVWGXZVCYDMLDV-UHFFFAOYSA-N 363.874 2.599 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3ccccc3F)n2)cc1OC 5347891 LUPLFRFZAIECQO-UHFFFAOYSA-N 357.341 2.823 0 50 FFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@@H]1CO 11817939 MXUNVJSFPPPXPM-GFCCVEGCSA-N 352.337 2.519 0 50 FFAA O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCC[C@H]1CO 12387143 SPAQEBJMCDKBBI-LBPRGKRZSA-N 370.327 2.869 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 12404313 SJYSTBUNNBHWQJ-UHFFFAOYSA-N 356.422 2.697 0 50 FFAA CCCCN(C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14543749 AKKLSCCBNDSNOU-HNNXBMFYSA-N 358.486 2.875 0 50 FFAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCC(Cc2ccccc2F)CC1 14971357 JVJFTZVCVJKMPB-QGZVFWFLSA-N 372.444 2.691 0 50 FFAA COCCNC(=O)Cc1c2c(n(Cc3ccc(F)cc3)c1C)CCCC2=O 15064108 FYRHHLGNSSIPRE-UHFFFAOYSA-N 372.440 2.808 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1sccc1C)C2 19110594 JOHDPKOLAQJMCV-UHFFFAOYSA-N 372.494 2.707 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n[nH]1 19535531 XTYYENLEWZGUFI-FQEVSTJZSA-N 374.504 2.816 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H](N)c1ccccc1)CC2 1857722061 AQNMZJYRXMMDLH-HXUWFJFHSA-N 360.461 2.714 0 50 FFAA COc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857739370 PEGLHJWILBOVIQ-JKIFEVAISA-N 352.862 2.576 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)CCCCc1nc3ccccc3s1)C2 1875246414 GECDPMYDGNJUSL-CVEARBPZSA-N 373.522 2.798 0 50 FFAA C[C@H]1NCCC[C@H]1C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 422994320 HNRXHXUBKXILCR-CZUORRHYSA-N 359.857 2.877 0 50 FFAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H]1Cc1ccccc1Cl 331441602 NOWPYNBLTLZXNM-CQSZACIVSA-N 353.875 2.778 0 50 FFAA C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCN1CCO 331835880 OSCINIUWPUJFLV-LLVKDONJSA-N 353.875 2.535 0 50 FFAA Cc1nc(COc2ccccc2C(=O)N2CCC(NCC3CC3)CC2)no1 237653297 CFBHGDZRGIIFGS-UHFFFAOYSA-N 370.453 2.561 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N1CC(F)(F)C[C@H]1CO 364000271 PGHHBQFSGXHTTO-HNNXBMFYSA-N 353.413 2.588 0 50 FFAA CNC(=O)[C@@H](C)CN(C)C(=O)C(F)(F)c1cc(Cl)ccc1Cl 817544783 DQWFXWVUGIZJHA-QMMMGPOBSA-N 353.196 2.926 0 50 FFAA COc1ccc(N[C@@H](C)c2cccc(CN(C)C)c2)cc1-n1cnnn1 926095360 LPKKVSRRBAFEFH-AWEZNQCLSA-N 352.442 2.906 0 50 FFAA Cc1ccncc1C(=O)N(C)C[C@H]1CCCCN1C(=O)c1cnccc1C 876307907 PLXMDZZKOWJEIZ-QGZVFWFLSA-N 366.465 2.860 0 50 FFAA COc1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1OC 1875288568 MQBXOZZGZRNVLR-NWDGAFQWSA-N 359.426 2.721 0 50 FFAA COC[C@H](C)CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1coc2ccccc12 1875326633 GSPSVMPZWOYECQ-OAGGEKHMSA-N 370.449 2.921 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)C1 1875379224 PQIRSXSFOBSDGP-LSDHHAIUSA-N 361.511 2.754 0 50 FFAA O=S(=O)(Nc1cc2n(n1)CCC2)c1c(Cl)nc2cc(Cl)ccn12 1875302578 WXIZBCRATMRDCH-UHFFFAOYSA-N 372.237 2.585 0 50 FFAA CC1(C)CN(Cc2nsc3ccccc23)C[C@H]1NC(=O)c1cocn1 1875407392 YTJMWJAYPGSCSI-MRXNPFEDSA-N 356.451 2.925 0 50 FFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCCc1cnccn1 2325754654 DZDRJFKCTQPYCL-UHFFFAOYSA-N 363.483 2.694 0 50 FFAA CCN(CC1CCN(C(=O)C2=CCCC2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 936404749 HWTQSMSCQMNTBZ-RMMWZPCPSA-N 372.509 2.607 0 50 FFAA Cc1cc(Br)c(NC(=O)CSc2nccc(=O)[nH]2)cc1C 814515 QFLJMCKVPAKMQB-UHFFFAOYSA-N 368.256 2.880 0 50 FFAA CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)CCC1=O 898921 VSRLRHWSFKWPCO-UHFFFAOYSA-N 356.422 2.763 0 50 FFAA C[C@H](NC(=O)N1CCC(N2CCCNC2=O)CC1)c1cccc(F)c1F 133591860 UHOULWYJRZAOEQ-LBPRGKRZSA-N 366.412 2.615 0 50 FFAA C[C@@H]1CCCN(CCNC(=O)c2c[nH]c3ncc(Br)cc23)C1 225394969 IIXAAJQIYOTFKQ-LLVKDONJSA-N 365.275 2.787 0 50 FFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1 54277980 ZHDVBQLVDWGHIL-LJQANCHMSA-N 368.433 2.842 0 50 FFAA Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(Br)cc1 2763867 BVSZIJJCVFMDAU-UHFFFAOYSA-N 372.288 2.620 0 50 FFAA Cc1ccc(C[C@H]2CCCN2C(=O)NCc2nnc3n2CCCC3)cc1 113388708 NLIAZIDEOZURSD-QGZVFWFLSA-N 353.470 2.840 0 50 FFAA CO[C@@H](C)CNC(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 417282273 AAEZNMSMWUZQOX-VIFPVBQESA-N 374.388 3.304 0 50 FFAA O=C(CCc1cn2ccccc2n1)N(Cc1ccccn1)C[C@@H]1CCCO1 55197492 MJWOKFUIHSOILI-IBGZPJMESA-N 364.449 2.870 0 50 FFAA CN1CCC[C@H]2CN(C(=O)NCc3ccccc3CN3CCCC3)CC[C@H]21 246839378 KJUFBWYNHWPFFN-LEWJYISDSA-N 370.541 2.908 0 50 FFAA Cc1c(CNCCCc2ccccc2O)c2ccccc2n1CC(N)=O 55133504 YAMCKYRHGBGATC-UHFFFAOYSA-N 351.450 2.863 0 50 FFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)CC(=O)Nc1ccc(C)cc1 65372145 HYJFBHTYDMTNFY-GOSISDBHSA-N 355.438 2.518 0 50 FFAA CCCN1CC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 249782281 QHAGNWWPVPLOEK-IAGOWNOFSA-N 362.493 2.683 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@]4(CCCNC4)C3)cc2)n1 67725600 YENALTVNFMQLMJ-NRFANRHFSA-N 352.482 2.764 0 50 FFAA COc1cccc(OCC(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1 67920506 KPIJQKPEHWDFLF-UHFFFAOYSA-N 369.461 2.918 0 50 FFAA CCn1c(CC2CCN(C(=O)c3ccccc3NC(C)C)CC2)n[nH]c1=O 65461936 WXPHLAKLJMLSNZ-UHFFFAOYSA-N 371.485 2.507 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N3CCC[C@@H]3c3ccccc3C)cc2C1 65526066 GCOSZIPQXXDSJX-HXUWFJFHSA-N 366.465 2.921 0 50 FFAA COc1ccc(Cl)cc1-n1nc(C(C)C)nc1CNC(=O)N(C)C 65466784 COILLELAHZTXPR-UHFFFAOYSA-N 351.838 2.824 0 50 FFAA Cc1cccc(C(=O)N2CCn3nc(C(=O)N4CCCC4)cc3C2)c1Cl 65492532 UJCRQYDONQBFNY-UHFFFAOYSA-N 372.856 2.737 0 50 FFAA C[C@@H]1CCCCN1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 230073382 WJZQLBDQXRHAPG-ACJLOTCBSA-N 366.483 2.618 0 50 FFAA Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C 896755 AQCHWTWZEMGIFD-JTQLQIEISA-N 365.842 2.714 0 50 FFAA biogenic,fda CC(C)Oc1ncccc1NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 121065100 TVJFVLMWSNJLOY-LBPRGKRZSA-N 360.380 2.875 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCC(OCc4ccc(F)cc4)CC3)c2n1 121627977 XGKZBRKSYMJUPL-UHFFFAOYSA-N 368.412 2.998 0 50 FFAA CCOc1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c(Cl)cc1OC 214978532 WPUMIKMAWZBHAF-IRXDYDNUSA-N 368.905 2.778 0 50 FFAA COC(=O)c1c(NC(=S)Nc2cc(C)n(C)n2)sc2c1CCC2 6787298 DKEFOSXXKFYULW-UHFFFAOYSA-N 350.469 2.874 0 50 FFAA Cc1ncc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c(C(C)C)n1 172128389 HZAAMAFKBURJPU-UHFFFAOYSA-N 366.418 2.671 0 50 FFAA CC(C)c1cccc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)n1 328623896 CCELZEJPHBCPJT-MRXNPFEDSA-N 355.442 2.817 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)cc1 72128297 IKYYIPMECMVECI-OAHLLOKOSA-N 372.494 2.889 0 50 FFAA COCCC1(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCC1 152088931 QDDMBODNEWZYAB-UHFFFAOYSA-N 369.465 2.659 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(Cc2cccnc2)C1 219734106 FGTUFBIDYJTXRO-QGZVFWFLSA-N 363.465 2.671 0 50 FFAA COc1ccc([C@@]2(C(=O)N(CCO)Cc3nccs3)CC2(C)C)cc1 216014291 IEEAIXVCATZROA-LJQANCHMSA-N 360.479 2.841 0 50 FFAA CCc1nc([C@H](C)NC(=O)NCc2ccc(-n3ccnc3)nc2)cs1 363405154 QPUVNFWVXRIZGS-LBPRGKRZSA-N 356.455 2.847 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCCC[C@H]1c1ccc(CN(C)C)cc1 72156129 PZCCZHCKKPNKPD-FQEVSTJZSA-N 369.513 2.956 0 50 FFAA COc1ccccc1/C=C/C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccccc21 370937015 RHBGAEJQXFSVRZ-LPQFERQCSA-N 357.431 2.695 0 50 FFAA Cc1ccc(CNC(=O)c2ccc(C(N)=O)s2)c(OC[C@H]2CCOC2)c1 127211345 GROZHQJCOBWYAA-ZDUSSCGKSA-N 374.462 2.501 0 50 FFAA O[C@H]1[C@H](NCCOc2ccccc2F)c2ccccc2C12CCNCC2 72156082 OTLVZTWGWVJMPK-UXHICEINSA-N 356.441 2.531 0 50 FFAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 237329544 FXBVZGASKKUORA-ZJUUUORDSA-N 354.369 2.592 0 50 FFAA CCSc1nnc(NC(=O)CSc2nc(SC)ns2)s1 32700004 GUWPNSCPZCCJSW-UHFFFAOYSA-N 365.556 2.954 0 50 FFAA O=C(N[C@H]1CCc2ccccc21)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 14974292 VOCZEZUYEZRWTQ-FXAWDEMLSA-N 364.401 2.906 0 50 FFAA COCCc1ncc(CN2CCC(c3nc4ccccc4n3C)CC2)cn1 72133914 FVZIIRRLDLGQTM-UHFFFAOYSA-N 365.481 2.932 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1 238142092 VYDRSUBYBXGVTK-HUUCEWRRSA-N 374.343 2.723 0 50 FFAA O=C(O)COc1ccccc1CN1CCC2(CC1)C(=O)Nc1ccccc12 72129101 NTSNBJPEEPUYIP-UHFFFAOYSA-N 366.417 2.636 0 50 FFAA O=C(C[C@H](O)C(Cl)(Cl)Cl)C[C@@H](O)C(Cl)(Cl)Cl 15273930 OOHSANVRWZOWHG-SYDPRGILSA-N 352.856 2.798 0 50 FFAA biogenic Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 45484868 WPPVFUKETMKBGX-UHFFFAOYSA-N 370.453 2.869 0 50 FFAA O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCC(c2ncn[nH]2)CC1 221432318 KESJFNLKNXKAMP-HNNXBMFYSA-N 368.359 2.831 0 50 FFAA O=C(CC[C@@H]1CCOC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 177523542 GTHHYDORYGDJES-LLVKDONJSA-N 361.833 2.948 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)C2CCCC2)CC1 82133728 UATIDJASSAKRJM-UHFFFAOYSA-N 359.518 2.790 0 50 FFAA CCN(CC)C(=S)SCC(=O)N[C@@H]1COc2ccc(OC)cc21 45068298 KIPBHTVIUNYKTL-CYBMUJFWSA-N 354.497 2.605 0 50 FFAA COc1cc(C)c(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cc1C 426517780 FJVASIFETVSLOH-MRXNPFEDSA-N 357.454 2.973 0 50 FFAA CN(CCCC1CCCC1)c1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 426662436 PAHXINBUWYUBFL-MRXNPFEDSA-N 360.502 2.568 0 50 FFAA CC(C)C[C@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91563100 LLLDZEJMFMMJAD-IBGZPJMESA-N 372.509 2.825 0 50 FFAA C[C@@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1F)CC2 91707701 NIGLWNYUEGGPCN-CYBMUJFWSA-N 370.415 2.689 0 50 FFAA CC(C)OC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91625941 DNZRDGALOGTBMM-UHFFFAOYSA-N 358.446 2.582 0 50 FFAA CN1CC[C@@]2(CCC1=O)CN(Cc1ccc(F)c(Cl)c1F)CCN2C 95371414 UBRBSWNOLQNDCE-SFHVURJKSA-N 371.859 2.747 0 50 FFAA O=C(O)CCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2F)n[nH]1 95524554 NFCPJEBLYIZBLF-UHFFFAOYSA-N 368.368 2.728 0 50 FFAA CN(C)C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 91410255 GSDIZXWKZVOCDU-SFHVURJKSA-N 355.482 2.929 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CC1 97797454 DUCTUMKBLUDSGL-UHFFFAOYSA-N 367.493 2.967 0 50 FFAA CC(=O)N1CC[C@]2(O)CCN(Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2C1 95371751 GITQGFAUWOBGIG-RHSMWYFYSA-N 374.378 2.650 0 50 FFAA O=C(O)[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCN1c1ccccc1 95522667 WMBOXUASLUDUAN-GOSISDBHSA-N 368.408 2.659 0 50 FFAA CCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](NC(C)=O)C2)cc1Cl 91451954 JDWRKQDIIIUXNY-ZBFHGGJFSA-N 350.846 2.725 0 50 FFAA Cc1cnc(C)c(N2CCN(C[C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 244773831 PHICGKDQJGCOLA-NRFANRHFSA-N 365.525 2.738 0 50 FFAA Cc1cccc(O[C@@H](C)C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c1 181148135 JMIQOACPUGQWLR-HNNXBMFYSA-N 361.486 2.851 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3cc(CO)ccn3)cc2)n[nH]1 534656638 JPCFVFRYQGZEOO-ZDUSSCGKSA-N 350.422 2.633 0 50 FFAA Cc1cccc2[nH]c(CCNC(=O)[C@@H](c3cccnc3)N3CCCC3)nc12 299790866 YGMFPNFRATVXKL-HXUWFJFHSA-N 363.465 2.762 0 50 FFAA COc1ccc2[nH]c(CNC(=O)c3cc(C(C)(C)C)nc(O)n3)cc2c1 824758638 XXUUYGDXIQWSQN-UHFFFAOYSA-N 354.410 2.900 0 50 FFAA CC(C)(C)c1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)n[nH]1 67787616 XJNRAKJSNMRZHT-CYBMUJFWSA-N 350.426 2.821 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)ccc2O1 952989694 XZEOHLWPRIKLTC-GFCCVEGCSA-N 360.435 2.658 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C3CCCC3)C2)cc1 952967069 ZCCDTUCCDGADDE-HNNXBMFYSA-N 359.470 2.865 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@H](C)N)C1 269292317 UTVZPLMKYVQXJK-SDDRHHMPSA-N 373.266 2.941 0 50 FFAA CC(C)(C)c1nsc(NC(=O)N2CCN(c3ncccc3F)CC2)n1 270713784 XTQXLWBYEGPAMY-UHFFFAOYSA-N 364.450 2.724 0 50 FFAA CN1CCN(Cc2ccc(NC(=O)C3CCC3)cc2Br)CC1 170608598 IBCFJTYHEYVMFP-UHFFFAOYSA-N 366.303 2.935 0 50 FFAA NC(=O)c1noc([C@@H]2CCCN2C(=O)c2cc(Cl)sc2Cl)n1 170614446 RSNJQVMTGIASIK-LURJTMIESA-N 361.210 2.514 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(-c2ncn[nH]2)c1 191471311 ULTRJAUKHMFRDQ-AWEZNQCLSA-N 365.412 2.962 0 50 FFAA CCCNC(=O)[C@@H]1CN(Cc2ccc3cn[nH]c3c2)c2ccccc2O1 194731059 NNMPZAVYAUGVJC-IBGZPJMESA-N 350.422 2.857 0 50 FFAA COc1ccc(CCN2C(=O)O[C@H]3CN(C4CCSCC4)C[C@H]32)cc1 208570481 UFJDUAUIQACLFG-MSOLQXFVSA-N 362.495 2.638 0 50 FFAA CN(C(=O)CCC(=O)Nc1ccc2c(c1)CCC2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529094606 ISJIWPLORAKKNA-TZRIAGMCSA-N 370.493 2.902 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)Nc3ccccc3)CC2=O)cc1 12302876 LFXLPRLGHGJRAG-QGZVFWFLSA-N 353.422 2.660 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccs1)C2 14731531 PQFQUNBQDKREQP-AWEZNQCLSA-N 358.511 2.848 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NCCn2cccn2)Cc2ccccc2C1 14947986 WIDUTJPAAPGJNO-UHFFFAOYSA-N 374.488 2.669 0 50 FFAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccsc1)CC2 14955373 GXSDJEPGYFXOBV-INIZCTEOSA-N 361.515 2.621 0 50 FFAA CC[C@@]1(C(=O)NCC2(c3cccc(F)c3)CCOCC2)C[C@@H]2CC[C@H]1N2 1857701366 SVXAMDPMZHWRFH-WAOWUJCRSA-N 360.473 2.911 0 50 FFAA O=S(=O)(c1cccs1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857709176 JAXOWXQIBAIWPL-JZXOWHBKSA-N 363.504 2.895 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCOCC1 1857714187 MSZQEUMNWAHRHV-CYBMUJFWSA-N 363.845 2.947 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cncc(Cl)c1 1857719406 KGHCGTVFHKMNQZ-FGTMMUONSA-N 357.841 2.679 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1=O)c1cccc(CN2CCCC2)c1 129008010 FTLSGIWZYOIYQP-GOSISDBHSA-N 350.418 2.656 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C1 136155689 MWZKSTHKWCRTJO-LBPRGKRZSA-N 374.828 2.735 0 50 FFAA CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC2CC2)co1 153120500 JEMPKXSRLHDMPE-UHFFFAOYSA-N 364.423 2.571 0 50 FFAA CCn1ccnc1CN(C(=O)COC1CCCCC1)[C@@H]1CC12CCNCC2 261666477 OLDOFYZVTXURJS-GOSISDBHSA-N 374.529 2.723 0 50 FFAA C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](c3cccs3)C2)NC1=O 162184936 RNBUURDFAUTLNQ-BXUZGUMPSA-N 358.419 2.681 0 50 FFAA Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@@](F)(CO)C1 802332994 IMRNYCXJEFMJNC-INIZCTEOSA-N 356.369 2.943 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCCC[C@@H]3COC(=O)N(C)C)c2)o1 804660847 MMCDDNHQQLZADH-MRXNPFEDSA-N 372.425 2.738 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(CCc2nc4ccccc4n2C)C3)o1 952849737 PHUORZZQSMHCID-YWZLYKJASA-N 351.454 2.861 0 50 FFAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc(C4CCC4)cc3)CC2)O1 952888715 NWGUZZJBWDXUIL-RBUKOAKNSA-N 356.466 2.839 0 50 FFAA CCc1c(C(=O)/N=c2\ccccn2Cc2ccccc2)[nH]c(C)c1C(N)=O 1875390941 FVWPKYJWYRXADQ-JJIBRWJFSA-N 362.433 2.575 0 50 FFAA Cn1ccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 2325784537 QSJPMORIDPZXQI-PSKKIHNDSA-N 369.465 2.570 0 50 FFAA CC1(C)C[C@H]1[C@H](NC(=O)c1ccnc(N2CCC(N)CC2)c1)C(F)(F)F 2325786394 HXMJSRSKNFWOKE-ZFWWWQNUSA-N 370.419 2.716 0 50 FFAA Cc1cncc(CC(=O)N(C)[C@@H](CNC(=O)C2CC3(CCC3)C2)C2CC2)c1 2325793758 GZCOXYHGGXTNMU-IBGZPJMESA-N 369.509 2.866 0 50 FFAA Cc1cccc(C(=O)NC[C@@H](C)CNC(=O)Cc2cc(C3CC3)on2)c1 2325867430 VXRBRRCOJZEYBX-AWEZNQCLSA-N 355.438 2.585 0 50 FFAA O=C(Cc1cc2ccccc2c(O)n1)N1CCN[C@@H](Cc2ccccc2)C1 1454578410 KRYFIKXYYKFWSS-IBGZPJMESA-N 361.445 2.526 0 50 FFAA Cc1cc(N2C(=O)c3ccc(-c4nc5ccccc5c(=O)o4)cc3C2=O)no1 692319 XNQBCFDFLMABEQ-UHFFFAOYSA-N 373.324 2.952 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)cc1 862519 HCBDHIXWHXEVIQ-QGZVFWFLSA-N 369.446 2.832 0 50 FFAA CCOC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)n1CC 1051064 FECDRENUUOGQQW-UHFFFAOYSA-N 351.428 2.637 0 50 FFAA C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 1158247 WPVBXADNPTZZIP-INIZCTEOSA-N 372.490 2.965 0 50 FFAA c1ccc(CCN2CC[C@H]3[C@@H]2CCN3c2nnnn2-c2ccccc2)cc1 2356144938 SPDDTCBPRFPYSY-PMACEKPBSA-N 360.465 2.558 0 50 FFAA Cc1nn(CC(=O)NCc2cccc3ncsc23)c(=O)c2ccccc12 2356153516 KJHFHJWJKVGWHS-UHFFFAOYSA-N 364.430 2.631 0 50 FFAA O=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl 3884926 LTLCPKPWNLFQRV-UHFFFAOYSA-N 350.179 2.763 0 50 FFAA Cc1ccccc1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 4838529 QLURJCLOFVUGAX-UHFFFAOYSA-N 373.206 2.992 0 50 FFAA CCOc1ccccc1NC(=O)c1nc2n(n1)[C@@H](C(F)F)C[C@H](C)N2 2770523 OTJSAQBFGVUCAE-GXSJLCMTSA-N 351.357 2.939 0 50 FFAA O=C(Nc1ccc(Oc2ccccc2)cc1)N1C[C@@H]2CNC[C@]2(C(=O)O)C1 65372243 OJWYQUXVORJMSK-XOBRGWDASA-N 367.405 2.617 0 50 FFAA O=C(c1cc(COc2ccccc2F)[nH]n1)N(C1CCOCC1)C1CC1 67726812 CJIFYBAZNRGOOB-UHFFFAOYSA-N 359.401 2.911 0 50 FFAA CC(C)N(Cc1cnc2c(-c3ccccc3)cnn2c1)C[C@@H]1CCC(=O)N1 67908295 QKRSVUWRMVVXRF-SFHVURJKSA-N 363.465 2.885 0 50 FFAA COc1cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c(Cl)cc1O 20993412 NKYSKICPNAZATB-HNNXBMFYSA-N 370.921 2.969 0 50 FFAA Cn1c(CCNC(=O)c2ccnn2-c2ccccc2)nnc1-c1ccccc1 472505104 UIUWKZHMVYDQAZ-UHFFFAOYSA-N 372.432 2.640 0 50 FFAA Cc1ccc(C[C@H](CO)CNC(=O)NCCc2ccc3c(c2)CCO3)cc1 252503480 VDJDAPZHMQJLNC-IBGZPJMESA-N 368.477 2.623 0 50 FFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 2794428 CMEJXKXZLYOCRN-JTQLQIEISA-N 366.215 2.927 0 50 FFAA Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C 230284927 VHPLUDPYDFBBBY-RYUDHWBXSA-N 365.524 2.707 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1ccc(I)cc1 6241670 UXOFQMISTCGMPW-CQSZACIVSA-N 367.186 2.755 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)s1 216293155 VMPLGJNHBXYXDF-UHFFFAOYSA-N 363.508 2.651 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cn(C)nc2C)n2ncnc2N1 6925126 GPCLRQPIEHBCTL-KRWDZBQOSA-N 363.425 2.556 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(OC)cc2c1O[C@H](C)C2 328652647 WOKJGOFIBPFYTC-FMEYXAORSA-N 357.454 2.855 0 50 FFAA CN1CC[C@@H](CNCc2nccn2CC(F)(F)F)[C@@H]1c1cccnc1 328628228 GZYPQOWBQISGKM-HOCLYGCPSA-N 353.392 2.623 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1C 77504221 KTFXDVXYUXFFME-NSHDSACASA-N 367.906 2.611 0 50 FFAA CCOc1ccccc1NC(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72478637 BNRQOPJEUYJMFH-UHFFFAOYSA-N 372.425 2.737 0 50 FFAA Cc1ccc(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1C(=O)N(C)C 363429384 LTJKKAFQHKZUJN-INIZCTEOSA-N 371.441 2.716 0 50 FFAA COCCn1cc(NC(=O)c2csc(Nc3ccc(OC)cc3)n2)cn1 155185024 HLTOAYHOGQIACK-UHFFFAOYSA-N 373.438 2.991 0 50 FFAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1 156970198 DFDAITOPBDQZRZ-HUUCEWRRSA-N 352.500 2.651 0 50 FFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 454223009 JPBIPFDWWSAPNR-SNVBAGLBSA-N 350.893 2.510 0 50 FFAA Cc1ccc(C(C)(C)NC(=O)CC[C@@]2(CCC(=O)O)CCC(=O)N2)cc1 219263668 QNLZWOKKPMHHPK-FQEVSTJZSA-N 360.454 2.640 0 50 FFAA CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(-c2ccccc2)on1 285017150 MJXYANAYQWVZDS-KRWDZBQOSA-N 363.483 2.635 0 50 FFAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc([C@H]1CCOC1)n2C(C)C 82087777 YSKWOFMABQLPNH-ZDUSSCGKSA-N 351.472 2.808 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)cc(=O)[nH]1 82096907 RHROKJPNKDWPQN-ZDUSSCGKSA-N 354.435 2.708 0 50 FFAA COc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3OCC3CCC3)CC2)cc1 222356537 POQDCDWSLFKXDR-RTBURBONSA-N 359.466 2.817 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48224022 MRICDQMHDOVTEZ-HXUWFJFHSA-N 366.465 2.788 0 50 FFAA COc1ccc(C2(C(=O)NCc3cc4n(n3)CCCNC4)CCCC2)cc1 82108390 IFBSVICWQQQARK-UHFFFAOYSA-N 368.481 2.513 0 50 FFAA CCCn1nc(C)c(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)c1C 91494125 BMOIQCXSCMQJIV-UHFFFAOYSA-N 353.426 2.936 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)N[C@H]3CC[C@H](O)CC3)C2)cc1 426387967 QJVNEIJQNOTJCO-BRWVUGGUSA-N 362.470 2.799 0 50 FFAA C[C@H](c1ccc(-c2cc(N)nc(N3CCOCC3)n2)cc1)N1CCCC1 97698684 JSPQWSMHVZMXSU-OAHLLOKOSA-N 353.470 2.719 0 50 FFAA O=C(C1CCC1)N1CCCN(Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 91746750 GRUKNQQZMJIXNQ-UHFFFAOYSA-N 357.429 2.502 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(CC)C3)CC2)s1 91444547 PMTAXQIZXUMQBR-UHFFFAOYSA-N 370.540 2.724 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ncn[nH]3)CC2)C1 92037860 KOPYQXIVVHCWPM-KRWDZBQOSA-N 353.470 2.537 0 50 FFAA Cc1cc(N)n(-c2ccc(-c3noc([C@@H]4CC(=O)N(C(C)C)C4)n3)cc2)n1 95358198 CNXIKKNXXPRSKE-CQSZACIVSA-N 366.425 2.537 0 50 FFAA O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc2ccccc12 239046944 GAAJZDHGBXYJQX-LPHOPBHVSA-N 352.434 2.709 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1CCC(c2nnc3n2CCCCC3)CC1 95362128 FJDMRKFGRWYCMJ-UHFFFAOYSA-N 364.453 2.901 0 50 FFAA Cn1cnc(-c2ccc(NC(=O)N3CCC[C@@H]3CN3CCCC3)cc2)n1 184651247 WYNRISYXEDRXKK-QGZVFWFLSA-N 354.458 2.574 0 50 FFAA O=S(=O)(NC[C@@H]1Cc2ccccc21)c1ccc(OCC(F)F)cc1 182477190 RKNRVQMTHCHZQN-ZDUSSCGKSA-N 353.390 2.949 0 50 FFAA Cn1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nc2c(Cl)cccc21 184413313 MTPKWZVNISIWLC-QMMMGPOBSA-N 374.750 2.576 0 50 FFAA Cc1cnc(CNC(=O)c2cccc(-c3ccc(NC4CC4)nn3)c2)cn1 534675344 PJQZQMSISREVCD-UHFFFAOYSA-N 360.421 2.746 0 50 FFAA Fc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1F 299772824 CJPYBOQQOUYNIZ-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA CCCn1cc(NC(=O)N(C)Cc2ccc(OC)c3ncccc23)nn1 299793756 HYVOLVWQLMPJPE-UHFFFAOYSA-N 354.414 2.909 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)C2(Cn3ccnc3)CC2)C1 299783553 WEQGICUVJHLWNM-SFHVURJKSA-N 352.482 2.577 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1ccc2scnc2c1 299777195 PHZZSFAMFSWZKJ-GFCCVEGCSA-N 359.411 2.895 0 50 FFAA COc1ccc(Cn2nc(C3CC3)nc2CCN2CCCCC2=O)cc1 670442331 ZRNDRHGMLFYKKG-UHFFFAOYSA-N 354.454 2.767 0 50 FFAA Cn1c(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc2ccccc21 1565526358 JOPBVHKMXDQMLR-YJBOKZPZSA-N 371.462 2.739 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cnc(O)c(Cl)c1 1565512841 ADYAMEYGSXSELS-HOTGVXAUSA-N 362.813 2.545 0 50 FFAA C[C@@H]1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)CC(C)(C)C1 275625847 JHYMNDDNHBTFRR-OAGGEKHMSA-N 359.518 2.554 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3cn(C)nc3[C@H]3CCOC3)CC2)cc1 275844842 IHRDPMBUSPHPFE-INIZCTEOSA-N 369.465 2.916 0 50 FFAA CCn1nc(C)c(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1C 277865106 YINLHCPCGDWOCQ-UHFFFAOYSA-N 355.482 2.977 0 50 FFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)CC1 186670299 VNEWWJBGMRDKHQ-GOSISDBHSA-N 354.450 2.780 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1scnc1Br 791090323 BYIGMEQCEZKINX-QMMMGPOBSA-N 371.260 2.785 0 50 FFAA Cc1cc2nc(C(=O)N(Cc3c(C)nn(C)c3C)C(C)C)cc(C)n2n1 1506428250 OJFXJDCPYTXIQP-UHFFFAOYSA-N 354.458 2.747 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)C[C@H]2O)n[nH]1 1529173698 PHRMRXJNZSPDAI-YLJYHZDGSA-N 367.493 2.982 0 50 FFAA Cc1nc(N2CCCC2)nc(N2CCCN(C(=O)c3ccoc3)CC2)c1C 1529158488 CZLKNRGLKICJIF-UHFFFAOYSA-N 369.469 2.639 0 50 FFAA CC1=CC2(CCN(C(=O)c3sc4[nH]cnc(=O)c4c3C)CC2)OCC1 1704298862 KTRSTBOFZSQSLL-UHFFFAOYSA-N 359.451 2.634 0 50 FFAA COc1cc(C(=O)N2CCC(c3ccnc(O)c3)CC2)cc(OC)c1OC 1772706537 SSVPFESHVXSFJZ-UHFFFAOYSA-N 372.421 2.833 0 50 FFAA CC(C)c1ccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 5112919 QEQHPEWGFNCTBH-UHFFFAOYSA-N 374.506 2.935 0 50 FFAA O=C(NCC1(O)CCCCC1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11843127 KTFOPSLEBTUYIR-QGZVFWFLSA-N 350.503 2.617 0 50 FFAA O=C(NCc1cnc2ccccn12)c1coc(COc2ccc(F)cc2)n1 12300823 IAUZWPPHYOMBBQ-UHFFFAOYSA-N 366.352 2.970 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)cc1 12313948 DEVFZILUJNPUFD-GOSISDBHSA-N 357.381 2.696 0 50 FFAA Cc1n[nH]cc1C(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12444942 FTEWRBVHBSZMKM-CQSZACIVSA-N 353.344 2.821 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1cccc(C(F)(F)F)c1 12715711 AANYFUDUGRVKOA-QGZVFWFLSA-N 356.388 2.559 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccc[n+]([O-])c2)C1 14958174 NPWBBWWNDOZAAS-SFHVURJKSA-N 362.433 2.949 0 50 FFAA O=C(C1CCOCC1)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 15062028 YWBMXBCERREDLK-OAQYLSRUSA-N 362.514 2.834 0 50 FFAA COc1ccc(CN(C)C(C)C)cc1OC[C@H](O)CN1CCCCC1 15072242 PBVKKBSRMJMXIL-GOSISDBHSA-N 350.503 2.761 0 50 FFAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](Nc3ccc(Cl)cn3)C2)c1C 1857531624 AQWCFKXLZVGAAH-CQSZACIVSA-N 374.876 2.534 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)CCCc1ccccn1 1857532571 OPBCUQXBMPSQHR-FUHWJXTLSA-N 369.469 2.721 0 50 FFAA O=C(c1ccncc1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857707917 PXDBPOIVGPLQQW-RTBURBONSA-N 352.434 2.969 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCO 1857715586 YQZDJFQXHFHGKW-LBPRGKRZSA-N 351.834 2.586 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)C[C@H]1N 1857735664 GBLWDAJQGAYZJE-JCKWVBRZSA-N 374.460 2.550 0 50 FFAA CC(C)C[C@H](C(=O)Nc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100971774 NLCPOHSSOCXNRV-ABJHKEKUSA-N 352.434 2.847 0 50 FFAA COCc1ccc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)o1 328612913 QASJXGLTEYWYKS-OAHLLOKOSA-N 363.414 2.830 0 50 FFAA Cc1cc2ncc(C(=O)N3C[C@@H](C)OC[C@H]3c3ccccc3)c(C)n2n1 266369960 UOPFYJONROBRPI-KDOFPFPSSA-N 350.422 2.948 0 50 FFAA C[C@@H](O)C[C@H](CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1)c1ccccc1 1875300001 GYFWVFJIAHKKFG-IUODEOHRSA-N 367.405 2.546 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccc(CO)cc4)CC3)n[nH]c21 1875396528 KVHIYBATMUSWHV-KGLIPLIRSA-N 369.465 2.944 0 50 FFAA CC[C@H](CC1CCCC1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncncc1OC 1875405698 MKSMZGXSGHRTSI-IKGGRYGDSA-N 358.486 2.881 0 50 FFAA CCn1nccc1C1CCN(C[C@@H]2CCCO[C@H]2c2nccn2C)CC1 886088214 NIGSLNPSXBUXLJ-PKOBYXMFSA-N 357.502 2.984 0 50 FFAA O=C(Nc1nc2c(OC(F)F)cccc2s1)c1cn2c(n1)COCC2 888092968 SOPOOXKMSRDAFI-UHFFFAOYSA-N 366.349 2.877 0 50 FFAA O=C(O)C[C@@]1(O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1772716654 LXKBSQXRPGMVKS-NRFANRHFSA-N 367.401 2.847 0 50 FFAA Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccc(Cl)cc1 969647 LFGOYLCPRNNCQT-UHFFFAOYSA-N 355.829 2.535 0 50 FFAA COC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 2848064 ULCHIRPDBDSTIG-UHFFFAOYSA-N 360.753 2.673 0 50 FFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1c(F)cccc1Cl 4193021 FNHFBGUFAGDGIH-LLVKDONJSA-N 355.793 2.936 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2noc3c2CC(F)(F)CC3)C(=O)O)c1C 2325865657 KWHLLBCKEMNEPQ-OAHLLOKOSA-N 364.348 2.971 0 50 FFAA O=C(O)c1cccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 689902 JYMBLVQYYLEMDD-UHFFFAOYSA-N 354.414 2.514 0 50 FFAA COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 754232 JLKKXFLIQLNLAN-YJBOKZPZSA-N 352.390 2.873 0 50 FFAA biogenic,in-vitro Cc1cc(C)n(-c2cccc(-c3cnc4c(N5CC[C@@H](O)C5)nccn34)c2)n1 2356141200 XYCOEQFJNFLPMO-GOSISDBHSA-N 374.448 2.770 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]34CCCN(C)C4=O)n[nH]2)cc1 2356151853 CUEBNJKSLGECFD-HXUWFJFHSA-N 352.438 2.612 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356170899 FQIBEHDBYAZDLY-JOCHJYFZSA-N 363.461 2.808 0 50 FFAA COc1cc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc(OC)c1O 100610119 MSURZBNKYVTSRB-SZMVWBNQSA-N 358.482 2.739 0 50 FFAA CCc1cnc(N2CCc3c(cnc(C)c3-c3noc(COC)n3)C2)nc1 23153631 IHKLLGBFLZHVQM-UHFFFAOYSA-N 366.425 2.502 0 50 FFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCN(C)CC1 20818751 MYLUESADSMCWJT-QGZVFWFLSA-N 361.530 2.505 0 50 FFAA O=C(NCC[C@H]1CCOC1)c1cc(COc2c(F)cccc2F)on1 67820360 XZWOYDHJXNWZGE-NSHDSACASA-N 352.337 2.688 0 50 FFAA COc1ccc(OC)c(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1 67817538 FYNISYXODISQLX-UHFFFAOYSA-N 355.438 2.876 0 50 FFAA Nc1nnc(CCCNc2ncc3c(n2)CCN3c2ccccc2)s1 65409882 VBBSOYHEKOINOQ-UHFFFAOYSA-N 353.455 2.649 0 50 FFAA CCc1nc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)sc1C 61718761 WJWWGFZDWDXFDH-UHFFFAOYSA-N 360.464 2.938 0 50 FFAA Cc1nc(Cn2nc(C3CCNCC3)n(-c3ccccc3)c2=O)sc1C 67696819 BOWMZFITUMJYKA-UHFFFAOYSA-N 369.494 2.623 0 50 FFAA C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 469322044 HRNNRAQLQPHLJV-ZDUSSCGKSA-N 354.431 2.836 0 50 FFAA CC(C)=CCN1C(=O)N[C@@](Cc2ccccc2F)(C2CCNCC2)C1=O 67786213 BCHZUIKGUDCRCP-FQEVSTJZSA-N 359.445 2.625 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cn2)CC1)Nc1ccc(Cl)cc1 469733356 IPHRRRFFYJMTJU-UHFFFAOYSA-N 362.836 2.630 0 50 FFAA O[C@@H]1CN(Cc2cccn2-c2ncccn2)CC[C@H]1c1ccc(F)cc1 65420740 QEVSGHZZGNYWOG-RBUKOAKNSA-N 352.413 2.757 0 50 FFAA C[C@@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 253432680 MQDADZGFFDENIW-GHMZBOCLSA-N 362.854 2.616 0 50 FFAA COc1ccccc1Cn1nc([C@H]2CCCNC2)n(-c2ccccc2)c1=O 67741404 KFSZICVIMWRVKF-INIZCTEOSA-N 364.449 2.558 0 50 FFAA COc1cccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 1462253 UAFFNOCINJCIFG-ROUUACIJSA-N 372.446 2.616 0 50 FFAA CN(Cc1ccc(F)cc1)C(=O)CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F 229981451 NWORXAWXXDFRQV-GDBMZVCRSA-N 362.367 2.562 0 50 FFAA O=C(OCCc1cn[nH]c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 120445353 XFLPBRANJNWVLH-UHFFFAOYSA-N 366.421 2.636 0 50 FFAA O=C(O)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F 5027166 BLNNAPTWPAAZLE-CABZTGNLSA-N 355.272 2.970 0 50 FFAA O=C1CC[C@@]2(CCCN(c3ncccc3Cl)C2)CN1CCc1c[nH]cn1 77301579 CZANWMBEEIKNBA-IBGZPJMESA-N 373.888 2.910 0 50 FFAA COc1cc(NC(=O)[C@H]2CC(c3ccccc3F)=NO2)cc(OC)c1OC 6738431 ZFBGTSDJRXWNEQ-QGZVFWFLSA-N 374.368 2.983 0 50 FFAA CN(C(=O)c1ccc2c(O)nc(S)nc2c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 253534975 OMNZWFIPKBSAKB-MRVWCRGKSA-N 359.451 2.510 0 50 FFAA CN1C(=O)[C@]2(CCCN(Cc3ccccc3C(=O)O)C2)c2ccccc21 72149254 KTLLTMPHFYDDET-NRFANRHFSA-N 350.418 2.895 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 218987524 BNEXQZXUNKJGDV-LBPRGKRZSA-N 374.351 2.743 0 50 FFAA Cn1c(CN(Cc2cncnc2)[C@H]2CCCNCC2)nc2ccccc21 435396297 XTQLDAKMGZFRND-KRWDZBQOSA-N 350.470 2.508 0 50 FFAA COc1cnc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cc1O 72154480 MEIOTQSGXWXQLI-QGZVFWFLSA-N 369.465 2.575 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 77375796 VVHNIPZQBLRQAA-CQSZACIVSA-N 350.422 2.565 0 50 FFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccc(Cl)cc2)c1 71776790 LTAQYZXLAMROFG-UHFFFAOYSA-N 369.826 2.630 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](C)[C@@H]3CN)o2)cc1 156590789 GSPCEAKCWKZPJF-PBHICJAKSA-N 357.454 2.869 0 50 FFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cn[nH]c3C(=O)O)C2)cc1C 71681319 WMOFFBKLAROOFI-CQSZACIVSA-N 371.437 2.828 0 50 FFAA COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 43200921 GGQCIOOSELPMBB-UHFFFAOYSA-N 370.434 2.684 0 50 FFAA O=C(Cn1ccc(-c2cccnc2)n1)Nc1ccnn1Cc1cccs1 48175344 HFQMJOUXYWAFEE-UHFFFAOYSA-N 364.434 2.890 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 176202997 REVMNXBTKZCRLV-QWHCGFSZSA-N 350.484 2.863 0 50 FFAA O=C(NS(=O)(=O)Cc1c(F)cccc1F)[C@@H]1CSc2ccccc21 132744968 TWOZFKRDZUOTMU-LLVKDONJSA-N 369.414 2.800 0 50 FFAA CC(=O)N1CCC(NC(=O)N(Cc2cccc(C)c2)C[C@H]2CCCO2)CC1 426409172 VULCQPBYSIJXOC-HXUWFJFHSA-N 373.497 2.697 0 50 FFAA COc1ccccc1C1CCN(C(=O)NC[C@H]2CCCN(C(C)=O)C2)CC1 426383125 KRNYYFVTHUXGQH-QGZVFWFLSA-N 373.497 2.843 0 50 FFAA COc1ccc(C(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)cc1 44921254 UTKFUFSMCDFMKX-UHFFFAOYSA-N 350.374 2.810 0 50 FFAA Cc1nc2c(c(N(C)Cc3cc(-c4cccs4)n[nH]3)n1)CCNCC2 198909044 WDGDKXHOZREVLL-UHFFFAOYSA-N 354.483 2.561 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)NC2(c3ccccc3)CC2)CC1 426618085 GSFBDPNNGWOJRQ-QGZVFWFLSA-N 354.454 2.564 0 50 FFAA CNc1ncc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cn1 97527332 PCWFHKPDFSDHCU-UHFFFAOYSA-N 352.398 2.619 0 50 FFAA CNC[C@@H]1CCN(C(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 179008860 AUQVYZLAOUIHTL-FQEVSTJZSA-N 368.525 2.857 0 50 FFAA CC(C)c1noc([C@H]2CCCN(C(=O)NCc3cc(C4CC4)n[nH]3)C2)n1 426727361 GOHNPCOJCCDDNN-ZDUSSCGKSA-N 358.446 2.883 0 50 FFAA CC(C)N1CC2(CCC1=O)CCN(c1cc(C(=O)NC3CC3)ccn1)CC2 95390721 AFKPBSFEXDBWEG-UHFFFAOYSA-N 370.497 2.591 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3ccccc3)C2)n1C 95366642 OVMICNSOGJBBAK-GOSISDBHSA-N 350.470 2.748 0 50 FFAA Cc1nnc(CN2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)o1 91966686 HUBDFYKEVDBQSE-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA CCn1ccnc1CN(C)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 96139426 OQUUMUHALJQLDY-UHFFFAOYSA-N 363.849 2.922 0 50 FFAA Clc1c(CN2CCCO[C@H](CN3CCOCC3)C2)[nH]c2ccccc12 97447002 QKGUBVLDUWIBBJ-OAHLLOKOSA-N 363.889 2.744 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ncc[nH]4)C3)[nH]c12 95511849 DGJHRMJSIKMFTB-ZIAGYGMSSA-N 366.421 2.757 0 50 FFAA C[C@@H](NC(=O)CN1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 97972172 WBAYAKSDIVAVSB-QGZVFWFLSA-N 355.457 2.821 0 50 FFAA Cc1nc2cc(CNC(=O)[C@H]3CCC(=O)N(C4CCCC4)C3)ccc2n1C 91906881 RYPARACGOHCMSC-INIZCTEOSA-N 368.481 2.679 0 50 FFAA Cc1nc(NCCc2csc(-c3ccncc3)n2)c2cnn(C)c2n1 95355727 IXYMANZAIVVPRZ-UHFFFAOYSA-N 351.439 2.845 0 50 FFAA Cc1cc(C)c(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)c(=O)[nH]1 91876773 NRGJPYZUZZQDRY-UHFFFAOYSA-N 354.385 2.589 0 50 FFAA CCCc1cc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)n[nH]1 91548488 GWYSJFLJHVZTJM-UHFFFAOYSA-N 360.502 2.749 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)[C@H]1CC[C@@H](O)CC1 244882544 XTUKGHXGWUTXHC-KXOQXEQOSA-N 354.450 2.714 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 252540135 OTUUTCUBVLHGHK-SHTZXODSSA-N 368.510 2.775 0 50 FFAA Cc1cc(O)c(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)cn1 253535389 WJRFAFNMYQMSBQ-PTSWNOGYSA-N 363.417 2.886 0 50 FFAA O=C(N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCCO2 252536066 HNSNLYDCYVEBED-GMBSWORKSA-N 357.381 2.839 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)N2CC(c3ccncc3)C2)n1 534586368 YKRLVRJCFRNVHP-UHFFFAOYSA-N 368.485 2.744 0 50 FFAA CCNc1ccc(-c2cccc(C(=O)N[C@H](C)CCn3cccn3)c2)nn1 534648182 GXSJDQWOWZGJQK-OAHLLOKOSA-N 364.453 2.981 0 50 FFAA COc1nccnc1-c1cccc(C(=O)NCC[C@H](C)n2ccnc2)c1 299761607 LTRAOWMBJVFEMA-AWEZNQCLSA-N 351.410 2.730 0 50 FFAA CC(C)c1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)c(O)c(C(C)C)c1 299800519 STGQIUFDLBHDKB-UHFFFAOYSA-N 357.458 2.720 0 50 FFAA CCCn1nc(C)c(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)c1C 584894319 NJOTZPXNUOFNCE-QGZVFWFLSA-N 358.490 2.728 0 50 FFAA COc1cccc(SCC(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 952867880 UZKIWGRLUFKTCO-AWEZNQCLSA-N 374.437 2.848 0 50 FFAA Nc1ncnc(N2CCN(C(=O)CCC3CCCCC3)CC2)c1Cl 302876262 FMANZTBCONEDRW-UHFFFAOYSA-N 351.882 2.721 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)o1 275386284 PDXQBAGTJRNIID-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA CN1C(=O)CC[C@H]1C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 170598484 NDKQGCZXJFSIIE-ROUUACIJSA-N 358.388 2.986 0 50 FFAA CCS(=O)(=O)C1CCN(Cc2nc3ccc(OC)cc3s2)CC1 193255583 PMYQCHWIQPQBJH-UHFFFAOYSA-N 354.497 2.704 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cnoc3-c3ccccc3)CCN21 1616077550 UDDGYFONEFGXIP-SJORKVTESA-N 355.438 2.667 0 50 FFAA O=S(=O)(CCN1CCCN(c2ccc(F)cc2)CC1)c1ccccc1 1529178485 MPIUJWOVDPANNL-UHFFFAOYSA-N 362.470 2.812 0 50 FFAA COc1cc(C)ccc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529125024 FFTDWOHRTKCECI-UYAOXDASSA-N 366.461 2.902 0 50 FFAA O=C(c1ccc(CO)o1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704359648 XLPWIYOXWZRFCW-UHFFFAOYSA-N 366.417 2.957 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C/C=C/c3ccco3)CC2)C1 14965858 QJBDIZMIZXLDLC-RTZWDOBSSA-N 357.498 2.748 0 50 FFAA O=C(C1CCOCC1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 14974316 WQCSDLPXUKZUTK-MRXNPFEDSA-N 357.372 2.902 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 19719813 IVKTWJSGFAFABB-CQSZACIVSA-N 373.482 2.546 0 50 FFAA Cc1ccccc1C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12 169776074 RULAQGMCSPATEH-UHFFFAOYSA-N 374.404 2.895 0 50 FFAA Cc1c(C(=O)N2CCN(c3ccc(F)cn3)[C@@H](C)C2)[nH]c2c1C(=O)CCC2 1857681063 WPTNSDITITYFOB-LBPRGKRZSA-N 370.428 2.727 0 50 FFAA Cc1cnc(CN(C)C(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)[nH]1 1857709118 GJXSSUSUVAOENG-AWEZNQCLSA-N 368.441 2.519 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(c2ccnc3[nH]ncc23)C1 1857709896 WWCDJWBMZVWJHI-HXUWFJFHSA-N 362.437 2.815 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(Cc4cccnc4)C[C@H]32)cc1 209668927 ROUBXSNSDBOULG-UXHICEINSA-N 367.449 2.728 0 50 FFAA CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H](CCC(=O)O)C2)n1 236662096 ULVCZHMHCXNHRQ-ZDUSSCGKSA-N 351.447 2.793 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N(CCC(=O)O)C3CCOCC3)c2c1 237859903 BOMUKWJLROBGDE-UHFFFAOYSA-N 358.438 2.891 0 50 FFAA O=C(O)CN(C(=O)c1cc(-c2cccc(Cl)c2)no1)C1CCOCC1 238111715 OKSOJENYPSQZOP-UHFFFAOYSA-N 364.785 2.701 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C[C@@H]1n1ccnc1 246912219 BNOGMIUMUZGRCT-SPUZQDLCSA-N 367.449 2.868 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(=O)[C@@H](C)C1 252548966 QNWODMMDPVHEAQ-XJKSGUPXSA-N 354.454 2.727 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cccnc2NC(C)C)C3)o1 952851740 UVTSIRPGYBJKFR-LIRRHRJNSA-N 355.442 2.787 0 50 FFAA O=S(=O)(N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1)c1ccc(Cl)o1 1875297769 CQUYJIPXGGMVGU-HTRCEHHLSA-N 369.752 2.595 0 50 FFAA NC[C@H](C(=O)N(CCc1ccccc1)CC(=O)O)c1ccc(Cl)cc1 1875310018 ZQHCOAOKXWBTHQ-KRWDZBQOSA-N 360.841 2.538 0 50 FFAA C[C@H](NC(=O)[C@@H](N)Cc1n[nH]c2ccccc12)c1cccc2cccnc12 1875348120 XXMCHCAQJUXUKG-GUYCJALGSA-N 359.433 2.858 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3)O[C@@H](C)C2)CC1 1875367289 ODIQLLLNEXBWMM-QFBILLFUSA-N 356.466 2.790 0 50 FFAA Cc1ccc(-n2ccc(-c3nc(Cc4cccc(C(N)=O)c4)no3)n2)cc1 1875341432 SOVLTWFUWRNREL-UHFFFAOYSA-N 359.389 2.920 0 50 FFAA CC(C)(C)c1nc(C(=O)N2CC3(CN(C(=O)C[C@@H]4CC4(C)C)C3)C2)co1 1875407415 ZJQHAZZKNQPGSU-CYBMUJFWSA-N 359.470 2.693 0 50 FFAA CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)O 2325870853 RXRPTOQWSSRYCP-CQSZACIVSA-N 354.362 2.894 0 50 FFAA O=C(CCN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(Cl)cc1 639921 OENTXWZUDWRFSS-UHFFFAOYSA-N 371.776 2.752 0 50 FFAA O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2c(c1)OCO2 810417 VIOFFMUTCIKSLZ-UHFFFAOYSA-N 360.369 2.845 0 50 FFAA COc1cccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 851391 KCZIPNZDTHIRPG-QGZVFWFLSA-N 352.390 2.955 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)OC2=C[C@H]1NC(=O)c1ccccc1 6180362 NBBNPGKKUWNAJF-KRZXBLKESA-N 367.401 2.786 0 50 FFAA COc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1OC 8607046 ZNCRTQGSFHIOHP-UHFFFAOYSA-N 354.406 2.543 0 50 FFAA Cc1sc2ccccc2c1CN1CCN(C)[C@]2(CCNC(=O)CC2)C1 107414251 UCVSMDSUMRWZQG-HXUWFJFHSA-N 357.523 2.996 0 50 FFAA COc1cc(OC)c(OC)cc1CN(C(=O)[C@@H]1CCCCN1C)C(C)C 55414106 OPLCAGJZYGRSJQ-INIZCTEOSA-N 364.486 2.934 0 50 FFAA COc1ccc(CN2CCN(C)[C@]3(CCNC(=O)CC3)C2)c2ccccc12 107399114 XURYVKMCBUTHTB-JOCHJYFZSA-N 367.493 2.635 0 50 FFAA COc1cc2c(cc1[C@H]1CC(=O)Nc3cc4c(cc31)NC(=O)CO4)CCC2 65380729 PIAFGKCXKBQZPG-ZDUSSCGKSA-N 364.401 2.989 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCc1c[nH]c3ccccc13)C2 1073280157 JYDZTNJCTURXAM-WBVHZDCISA-N 368.481 2.705 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2-c2ccccc2)C1 25897448 QSOQZGNQOMMNNL-MRXNPFEDSA-N 358.463 2.964 0 50 FFAA Cc1csc(-c2cccc(NC(=O)Nc3ccn(CCC(N)=O)n3)c2)n1 120052950 XVSCUUGMDIZRQT-UHFFFAOYSA-N 370.438 2.834 0 50 FFAA O=C(NCCCN1CCOCC1)c1cc(-c2ccc3ccccc3c2)[nH]n1 424520283 BZYSBMLNZWXVDQ-UHFFFAOYSA-N 364.449 2.682 0 50 FFAA CC(C)c1cc(C(N)=O)c(NC(=O)c2nn(C)cc2Br)s1 2755196 YLDHWDMCWLRTIH-UHFFFAOYSA-N 371.260 2.719 0 50 FFAA Cc1ccc(C)c(OCn2ccc(C(=O)NCc3cn(C)nc3C)n2)c1 2802300 BBFCFVKTELQRQC-UHFFFAOYSA-N 353.426 2.508 0 50 FFAA Cc1c[nH]c(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)n1 77387136 DXIMZKVZJJEDNI-FQEVSTJZSA-N 356.445 2.986 0 50 FFAA CN(CCCn1ccnc1)C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 426242433 XNFMIFDQOYKYET-KRWDZBQOSA-N 370.432 2.577 0 50 FFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3ccnc(N(C)C)n3)C2)cc1 426240419 RAUAFMREOONRNY-RDJZCZTQSA-N 353.470 2.939 0 50 FFAA O=C(CCNC(=O)c1cccc([C@H]2CCCNC2)c1)NC1CCCCC1 216223128 MWPOVCKFGQMCOB-SFHVURJKSA-N 357.498 2.722 0 50 FFAA CSc1ncc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)n1C 72479859 KBPPTGIAPXPWRL-UHFFFAOYSA-N 369.494 2.934 0 50 FFAA Cn1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)c2ccccc2c1=O 428717347 CDOSBXBGBFRSFQ-UHFFFAOYSA-N 350.300 2.550 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)cc(O)n1 328637777 OUFZDXJTHFKIIT-MRXNPFEDSA-N 369.469 2.663 0 50 FFAA COCCN(C)C(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71419120 JUFPHWAZMGOJBW-QFIPXVFZSA-N 366.461 2.638 0 50 FFAA Cc1ncsc1CCN(C)Cc1c(C)n(C)n(-c2ccccc2)c1=O 214984739 ZVNKHMHXCSPFDO-UHFFFAOYSA-N 356.495 2.924 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 366058573 JGQSEEDNJTZGEA-HKUYNNGSSA-N 362.514 2.582 0 50 FFAA CCCc1cnc(C)nc1N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 72129747 CSOWRLZUPDSXFO-SFHVURJKSA-N 350.466 2.918 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(Cl)c1 77353587 YMFFBFLDWFIPLX-AWEZNQCLSA-N 358.891 2.718 0 50 FFAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccc2[nH]ccc2c1 372975434 MVJJINZQOSKLTC-FQEVSTJZSA-N 361.445 2.800 0 50 FFAA Cn1nnc2c1C[C@H](C(=O)N1CCCc3c1cccc3C(F)(F)F)CC2 333370098 IVKPGUPNRQPKBS-LLVKDONJSA-N 364.371 2.918 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 72151631 KTRYXIWMOOHDII-INIZCTEOSA-N 370.428 2.578 0 50 FFAA Cc1oc(-c2ccco2)nc1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237657313 VYQDQUZISVCPQF-MRXNPFEDSA-N 366.373 2.824 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)CN(CCC(C)C)C(=O)O3)c(C)n1 77504292 AMOBMYUFGRWRNZ-UHFFFAOYSA-N 360.458 2.567 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1OCc1cccnc1 263309907 PBJKYERPZCJYIK-MRXNPFEDSA-N 370.405 2.749 0 50 FFAA Cn1cc([C@H](NC(=O)C2(N3CCCCC3)CCCCC2)C2CC(O)C2)cn1 223958171 WHBFENSYPGSYEE-NKELODKYSA-N 374.529 2.537 0 50 FFAA Cc1nc2cc(C(=O)N[C@H](c3nccn3C)C3CCOCC3)ccc2o1 286787734 JOFOGDMCTQNULC-KRWDZBQOSA-N 354.410 2.767 0 50 FFAA O=C(NCCOc1ccccc1)N(Cc1ccncc1)C[C@H]1CCCO1 426372218 KTYVIPFBNPOIMS-LJQANCHMSA-N 355.438 2.851 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3c(C)nc4cc(C)ccn34)CC2=O)cc1 82126894 RPNISLZNRMIZOX-UHFFFAOYSA-N 362.433 2.749 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 82161228 MOCMJWKVCYSRCJ-KRWDZBQOSA-N 363.417 2.831 0 50 FFAA CSc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1 82156020 WHLLQXANXBOXRQ-UHFFFAOYSA-N 373.526 2.782 0 50 FFAA C[C@H]1CN(Cc2cccc(CNS(=O)(=O)CC3CCCC3)c2)CCO1 178314553 MDHJREFTWQSSGK-INIZCTEOSA-N 366.527 2.517 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)c3cc(=O)[nH]c4ccccc34)CC2)n1 96139985 HTIOIYWNDUNNID-UHFFFAOYSA-N 350.422 2.552 0 50 FFAA CSCCc1nc(CN(C)C(N)=O)n(-c2ccc(C(F)(F)F)cc2)n1 96162600 HKKPPMMPNIGSEC-UHFFFAOYSA-N 373.404 2.702 0 50 FFAA O=C(c1cncc(Br)c1)N1CC[C@](CO)(c2ccccc2)C1 291231189 OBAMWJQYKSUNLK-KRWDZBQOSA-N 361.239 2.620 0 50 FFAA COc1cccc(C)c1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96149369 BKYFGTRUAHOFQV-QVKFZJNVSA-N 367.401 2.707 0 50 FFAA CCn1ncnc1[C@@H](C)NC1CCN(c2ncnc3ccsc23)CC1 96161396 MFTIRMJKLQIJSL-GFCCVEGCSA-N 357.487 2.622 0 50 FFAA CS(=O)(=O)CCc1nc(-c2ccc(Cl)cc2)nn1CC(F)(F)F 96138676 WWRRDPOUBQBQAP-UHFFFAOYSA-N 367.780 2.748 0 50 FFAA CC[C@@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)n1cccn1 91746149 FHVYSCUQEXWBNN-HNNXBMFYSA-N 355.467 2.793 0 50 FFAA CC1(C)C(=O)Nc2cc(C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)ccc21 293760192 JVFXRSAYZJPVAJ-NSHDSACASA-N 369.387 2.530 0 50 FFAA O=C(Nc1cccc(-n2cncn2)c1)N1CCCC[C@H]1CCn1cccn1 96132936 BDMPYLBUYLGHKV-KRWDZBQOSA-N 365.441 2.941 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCOC1)c1cccc(Br)c1 299753901 ZSJITYGKWVAYCY-MFKMUULPSA-N 356.216 2.508 0 50 FFAA CCc1ccccc1OC1CN(C(=O)NCCSCc2[nH]cnc2C)C1 534662744 ZLLARKFQUXYTPP-UHFFFAOYSA-N 374.510 2.987 0 50 FFAA Cc1ncsc1C(=O)N1CCc2nnc(CCc3ccccc3)n2CC1 299798330 RMDURGTWJUBCTI-UHFFFAOYSA-N 367.478 2.527 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC(OCc2ccccc2)C1 299781968 FGTDFNDTKHYQRV-UHFFFAOYSA-N 352.434 2.564 0 50 FFAA COC(=O)c1cc(C=O)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 71788942 BEVQLMNMQJSUMF-AWEZNQCLSA-N 362.426 2.779 0 50 FFAA CC(C)Oc1cccc(-c2cccc(C(=O)N3CC[C@@](O)(CO)C3)c2)c1 299784507 PLKONDLWPURFSW-NRFANRHFSA-N 355.434 2.710 0 50 FFAA CN1CCN([C@@H]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C2)CC1 299774326 GNQSBWODMXCWBV-CYBMUJFWSA-N 356.392 2.559 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNc3nc(-c4ccccc4)no3)cc2C1 299759244 DDGXCUGAZBZKBO-UHFFFAOYSA-N 366.425 2.543 0 50 FFAA Cc1n[nH]c([C@H]2CCCN(C(=O)Nc3c(-c4ccccc4)cnn3C)C2)n1 299757959 LSNUNDUNRZZMAK-HNNXBMFYSA-N 365.441 2.925 0 50 FFAA O=C1C[C@@H](CN2CCCN(Cc3ccncc3)CC2)CN1c1ccccc1 299755932 FFITYYXNVBJQFO-FQEVSTJZSA-N 364.493 2.642 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)NCc2nc(-c3ncccn3)no2)c(C)s1 584895131 IESROYSECBYKQI-VIFPVBQESA-N 373.442 2.503 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)NCc3cnc(C)cc3C)CC2)cc1 584895116 KKYIQHNLSFGNRB-UHFFFAOYSA-N 366.465 2.933 0 50 FFAA COc1cc(C(=O)N2CCOC[C@H]2c2cccn2C)cc2c1O[C@H](C)C2 1447529571 ZGXCGAXQBSRSFP-DYVFJYSZSA-N 356.422 2.571 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(c1nnc(-c3ccccc3)s1)CCO2 952973661 FOPVBWBUQKRGMR-UHFFFAOYSA-N 372.494 2.813 0 50 FFAA Cc1ccc(NC(=O)c2cn3cccc(C)c3n2)cc1NC(=O)CN(C)C 952964689 NDLPMHBRNUHJAU-UHFFFAOYSA-N 365.437 2.704 0 50 FFAA CCn1cc(CN2C[C@H](c3ccc(C)cc3)[C@@H](NC(=O)C3CC3)C2)cn1 1565530420 ALFRLESZLWJMCO-UXHICEINSA-N 352.482 2.706 0 50 FFAA CC[S@@](=O)CC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 170616565 RDBTYDAFJITTSK-RUZDIDTESA-N 361.419 2.729 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(Oc2ccncc2)CC1 1506421473 JYLBBQLXRMFTFD-INIZCTEOSA-N 351.450 2.903 0 50 FFAA COc1ccc2c(C)cc(NCCCN3CCC[C@H](C(N)=O)C3)nc2c1 1506412370 XTAOPRPGQAPXSL-HNNXBMFYSA-N 356.470 2.551 0 50 FFAA CSc1ccc2c(C)cc(N3CCCN(CC(=O)N(C)C)CC3)nc2c1 1529120085 SRYJHKYYAYPSGY-UHFFFAOYSA-N 372.538 2.865 0 50 FFAA O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1ccc(F)cc1)CN=2 1137025 GKMBDGRJWYLJLF-SXGWCWSVSA-N 373.840 2.586 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n(C)n1 1704339749 LHFIOVGESQWOJF-UHFFFAOYSA-N 364.449 2.914 0 50 FFAA CCc1cc(CN2CCCN(C(=O)c3ccc4c(c3)CCCO4)CC2)on1 1775983084 HHKKKQMQDUYEBO-UHFFFAOYSA-N 369.465 2.910 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCC(Cc3ccc(O)nc3)CC2)c1=O 1772811326 VVIPCYFVERWCLC-UHFFFAOYSA-N 369.465 2.681 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3sccc3Cl)C2)C1=O 11713019 ZVDUBBRHECMZRO-INIZCTEOSA-N 356.875 2.503 0 50 FFAA Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCN(C(C)C)CC3)C2)cs1 12386968 ISGDLTCXNXQSPG-MRXNPFEDSA-N 364.559 2.653 0 50 FFAA Cc1cccnc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12435902 MDBVZQMHXVMZJH-KRWDZBQOSA-N 369.440 2.926 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NCC(C)C)CC2 14538455 YPESPOVOXWABGH-QGZVFWFLSA-N 354.498 2.588 0 50 FFAA COc1ccc(CNC(=O)c2cn(Cc3c(F)cccc3F)nn2)cc1 15066085 WZFJRGOEQALYMH-UHFFFAOYSA-N 358.348 2.543 0 50 FFAA O=C(NC1CCCCC1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169759734 SUJLWAXETNGDCJ-IBGZPJMESA-N 369.421 2.946 0 50 FFAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cc(Cl)ccc1O 206236676 YDPXTKJERKIYRV-ZDUSSCGKSA-N 373.796 2.515 0 50 FFAA CC(=O)Oc1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1C 2533142 OWCYIPWHVMLBKK-YVLHZVERSA-N 364.426 2.999 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669800 SFXYCNIVGBBTQH-HRAATJIYSA-N 366.417 2.620 0 50 FFAA Cc1nn(C)c2c1[C@@H](NC(=O)CCc1nc3ccc(F)cc3[nH]1)CCC2 1857705073 RLMRHHWWDOMUFK-AWEZNQCLSA-N 355.417 2.870 0 50 FFAA Cc1c(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c(O)nc2ccccc12 408360521 VMGWJKWYVDTBHR-INIZCTEOSA-N 354.328 2.778 0 50 FFAA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253589922 AKYKYHKJUHUACD-UDCXOBGGSA-N 350.499 2.681 0 50 FFAA C[C@@H](CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1)C(=O)O 485742358 IEXQAFSBAUAAEN-AWEZNQCLSA-N 374.462 2.618 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@@H](C)c2cnccc2C)[C@H]1c1cnn(C)c1 952887158 JRZGLUMIIHPEOF-YRNRMSPPSA-N 355.486 2.774 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2NCc2nc(-c3ccc(F)cc3)no2)cnn1C 886062963 CXVLSIWMUBLHJI-DOTOQJQBSA-N 357.389 2.537 0 50 FFAA CCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)cc1C 130639184 ACBMGBVIOCHQNS-UHFFFAOYSA-N 358.261 2.854 0 50 FFAA Cc1ccc(NC(=O)NCc2ccc(-c3cc[nH]n3)cc2)cc1-n1cnnn1 2325700878 ALPCJUKZKIGXLO-UHFFFAOYSA-N 374.408 2.683 0 50 FFAA CN(C(=O)c1coc([C@@H]2CCCN2)n1)c1nnc(-c2ccccc2)s1 2325768413 TVAIFZMJBHWZKM-LBPRGKRZSA-N 355.423 2.894 0 50 FFAA Cn1c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc2cc(Cl)ccc21 2325797134 OPUIUIBCEKHBBV-CDHAZOANSA-N 372.856 2.598 0 50 FFAA COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1 592819 QTENHWTVRQKWRI-UHFFFAOYSA-N 355.350 2.891 0 50 FFAA in-vitro COc1ccc(-n2c(N)c(C(=O)NC[C@H]3CCCO3)sc2=S)cc1 1134877 XNDIEOGKDXWSBU-GFCCVEGCSA-N 365.480 2.768 0 50 FFAA CC(C)(O)C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157331 GDKDRWDQOONUDD-OAQYLSRUSA-N 351.450 2.721 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)CCc2ccc3c(c2)OCO3)C1=O 2356167529 REMHWVYRAFPBHM-OAQYLSRUSA-N 372.465 2.740 0 50 FFAA CC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 3071253 JISQMCDPVUFHKY-UHFFFAOYSA-N 350.374 2.904 0 50 FFAA O=C(c1ccccc1F)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4301358 GHZJXIXJVKBVGI-OAHLLOKOSA-N 365.401 2.794 0 50 FFAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 6730429 YCSVJRKOIGOKBV-LJQANCHMSA-N 368.433 2.955 0 50 FFAA O=C(c1cccnc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 8048352 MUYDAMGLHIGJRW-UHFFFAOYSA-N 371.462 2.505 0 50 FFAA CCc1c(C(=O)Nc2ccnc(N(C)C)c2)nnn1Cc1ccccc1 421496662 NBEMZRORXOHXSE-UHFFFAOYSA-N 350.426 2.602 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 117708619 RSIPNZHKBBPKCU-SFHVURJKSA-N 367.449 2.879 0 50 FFAA CC(C)c1ccc([C@H](N)CNC(=O)c2ccc(-n3cncn3)c(F)c2)cc1 225468281 CHFWNKUFMGFJNV-GOSISDBHSA-N 367.428 2.960 0 50 FFAA Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 225765031 SJXRJYRTGSCDJL-NRFANRHFSA-N 355.482 2.884 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCC(Cc4ccccc4F)CC3)c(=O)n2n1 102765514 YJFYUYFGRWKGCH-UHFFFAOYSA-N 368.412 2.565 0 50 FFAA COc1ccc(CN2CCN(Cc3ccncc3)C[C@H]2CCO)c(C)c1C 107100241 XPLBEJCNADBKKZ-OAQYLSRUSA-N 369.509 2.776 0 50 FFAA Cn1cccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1=O 67741080 WYCLSFFBTDKYJR-OAHLLOKOSA-N 367.232 2.906 0 50 FFAA CCOCC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 10076239 LPYZSICFGUUHPK-UHFFFAOYSA-N 367.449 2.624 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(-c2ccc(C)cc2)o1 67712895 BEWJVANZGOOKKO-SJORKVTESA-N 369.465 2.665 0 50 FFAA CCCn1ncc(-c2c[nH]c([C@@H]3CC(=O)N(Cc4cccnc4)C3)n2)c1C 20208207 UBXJAWCGCSBGEY-MRXNPFEDSA-N 364.453 2.903 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2cncc(F)c2)CC1 67817886 YVRIITFNARAVMS-UHFFFAOYSA-N 373.432 2.879 0 50 FFAA CC(C)N1CCO[C@@H](Cc2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)C1 65396630 ZYIVSEASYCYAPO-INIZCTEOSA-N 370.453 2.525 0 50 FFAA CC(C)(O)[C@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67587109 RBXZWFKOLNABER-ZDUSSCGKSA-N 361.417 2.751 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccc(F)cc3)ncn2)n1 65362549 UWJDKNAHIFKCJI-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCN(C)C(=O)[C@@H](C)NC(=O)NCc1ccc(OCc2ccccc2)cc1 252488501 ITFRILFGQTWLCD-MRXNPFEDSA-N 369.465 2.932 0 50 FFAA O=C(NC1CC1)c1cccc(NC(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)c1 252507126 YXGAXSYUJBTEGP-SNRMKQJTSA-N 368.481 2.527 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cnc(CC)nc3)CC2)OC1=O 77428239 HQDFZUODOVBDBV-AWEZNQCLSA-N 360.458 2.655 0 50 FFAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCc1cc(O)no1 77298161 QINYCXJVUNXCNE-UHFFFAOYSA-N 357.454 2.683 0 50 FFAA CN1C(=O)[C@@]2(CCCN(Cc3ccccc3C(=O)O)C2)c2ccccc21 72149253 KTLLTMPHFYDDET-OAQYLSRUSA-N 350.418 2.895 0 50 FFAA Cc1cc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)ccn1 72424894 DIHHGXNEBZZRFU-UHFFFAOYSA-N 356.378 2.621 0 50 FFAA O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)Cn2ccccc2=O)C1 215723979 YPRXNKSRLYYDOQ-HNNXBMFYSA-N 358.825 2.623 0 50 FFAA CC(C)c1nnc(CN2C(=O)N[C@]3(CCc4cc(Cl)ccc43)C2=O)o1 151793963 AZGPWTFISXJKAL-KRWDZBQOSA-N 360.801 2.740 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2csc(-c3ccncc3)n2)cc1 129744531 UFBCAUQYVKCSIG-UHFFFAOYSA-N 359.432 2.632 0 50 FFAA COC1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CC(C)C)C2)CC1 72426590 CSDJBOMPJGFUNY-JYSRZZCRSA-N 350.503 2.687 0 50 FFAA CC(C)c1nc(CCNC(=O)NCc2ccnc(-n3ccnc3)c2)cs1 363386047 JIRMALMCICRUFM-UHFFFAOYSA-N 370.482 2.889 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4c(c3)CCCO4)CC[C@H]21 72475630 WSPHXACICJQNIZ-ZWKOTPCHSA-N 356.466 2.875 0 50 FFAA CC(=O)c1cn(CC(=O)N[C@H](C(=O)O)c2ccccc2)c2ccccc12 71375806 VQFQARALCWYIER-IBGZPJMESA-N 350.374 2.786 0 50 FFAA O=C(O[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 240894803 IQAOMJSEUPHINI-PYTWLRIVSA-N 367.442 2.711 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)CCc2c(C)nc(=O)[nH]c2C)CC1 77521467 ZFVRBYAXKJLLIQ-UHFFFAOYSA-N 369.465 2.698 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1 216386188 ZSCZMGMLYDTIJV-IBGZPJMESA-N 369.444 2.691 0 50 FFAA CCN1CCN(Cc2cccc(-c3ccc(C)o3)c2)[C@H]2CS(=O)(=O)C[C@H]21 77408375 QTISXSYYOZTMDP-MOPGFXCFSA-N 374.506 2.558 0 50 FFAA O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCn2ccnc2C1 332897042 VGVNWOZUUXKNPX-PBHICJAKSA-N 353.470 2.951 0 50 FFAA CCOc1ccc(-c2ccnc(NCC[C@H]3CCCN3)n2)cc1C(=O)O 72479700 BOURCKBGZYYLAU-CQSZACIVSA-N 356.426 2.795 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC[C@H]1c1ccccn1 72440727 KTMCORMXTICFCE-SFHVURJKSA-N 364.453 2.823 0 50 FFAA C[C@]1(O)C[C@@H](NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 333910767 LGVRQKSUWYUJMP-UEYJHNDTSA-N 353.260 2.908 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 77408307 HYTKADSVWZAERR-MRXNPFEDSA-N 351.454 2.858 0 50 FFAA CN(C)C[C@@]1(O)CCCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 72167961 NTYICIODXDEPCW-JOCHJYFZSA-N 366.509 2.915 0 50 FFAA COc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)cc1S(C)(=O)=O 449999626 OEPMNSYDBAFCGP-ZDUSSCGKSA-N 359.447 2.686 0 50 FFAA Cc1cc(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)cc(C(N)=O)c1 455813512 OUMXPUHKRNQQSN-IBGZPJMESA-N 367.449 2.998 0 50 FFAA CCC[C@@H]1CN(Cc2nc(N)nc(Nc3cccc(C)c3)n2)C[C@H]1N(C)C 82096740 HXLUQYXIENRKQJ-NVXWUHKLSA-N 369.517 2.668 0 50 FFAA Cn1c(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cc2ccccc21 223652170 NUBBUXRZHPUBGT-QAPCUYQASA-N 371.462 2.739 0 50 FFAA OCC1CCN([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 19841572 NGFQMEVUQBMJEP-INIZCTEOSA-N 366.889 2.737 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)c1 222784441 JPMLBUWBWSHPTQ-IDHHARJASA-N 351.406 2.814 0 50 FFAA COc1ccc([C@]2(C(=O)N3CCC(n4cnnc4)CC3)CC2(C)C)cc1 426661995 JCJKJHMAXAQXSP-FQEVSTJZSA-N 354.454 2.818 0 50 FFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)CCN1CCCCC1 82121388 RMUDRHAHKIOTLS-OAHLLOKOSA-N 363.889 2.780 0 50 FFAA Cc1cc(C(=O)NC2CCN(c3cnccn3)CC2)c2ccc(F)cc2n1 82156320 MECYCURXBQAVMW-UHFFFAOYSA-N 365.412 2.871 0 50 FFAA CCn1nc(C)c(CNC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1C 426529257 JGWCBEZZQGSUGH-GOSISDBHSA-N 371.485 2.806 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 91434636 QXDIMASAMNQZPA-QGZVFWFLSA-N 353.470 2.918 0 50 FFAA CCCNC(=O)C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 91390971 HOJVSKDNNNYSGJ-MRXNPFEDSA-N 368.481 2.837 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2ccc3ccn(C)c3c2)N2CCOCC2)o1 95360101 VICNKRIYTLSNEP-LJQANCHMSA-N 367.449 2.883 0 50 FFAA CN(CCCOc1ccccc1Cl)C(=O)c1cccc(-n2cnnc2)n1 97172994 LQYRKSCZEUAGON-UHFFFAOYSA-N 371.828 2.857 0 50 FFAA CCCc1nc(C)cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n1 91656162 SHIDQEGJUZRAMQ-GOEBONIOSA-N 371.510 2.821 0 50 FFAA COc1ccnc(N2CCN(C(=O)Nc3ccc4oc(C)cc4c3)CC2)n1 96141371 PWHTVLUYBHXEOP-UHFFFAOYSA-N 367.409 2.894 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 91931482 FKFHUCATWCDVLM-QGZVFWFLSA-N 356.466 2.514 0 50 FFAA Cc1cnc(Cn2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2)s1 179750699 YOLVEFBNQAEXQO-HNNXBMFYSA-N 356.455 2.613 0 50 FFAA O=C1CCc2cc(F)cc(NC(=O)N3CCC[C@@H](c4ccncn4)C3)c2N1 96140614 QHJBEIRFTDWZID-CYBMUJFWSA-N 369.400 2.912 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 91690138 VBGSKFKHWLJUDT-UHFFFAOYSA-N 350.422 2.828 0 50 FFAA CCn1cc(CN2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cn1 23375516 WLIJDMRSCCHCBE-NRFANRHFSA-N 367.541 2.998 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCc2cncn2CC(C)C)cn1 91254801 NSAPXKHVQDVARY-UHFFFAOYSA-N 353.426 2.663 0 50 FFAA COCCN1CCC[C@@]2(CCN(C/C=C/c3ccccc3OC)C2)C1=O 91473911 JOXYYHZBJRLNPC-FERLCFGISA-N 358.482 2.669 0 50 FFAA Cc1cc(C)c(NC(=O)N2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c(C)n1 95501342 GKYDNMYIFGYKLW-IKGGRYGDSA-N 356.470 2.872 0 50 FFAA COc1cc(CN2CCC(F)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 95521992 XTXHSKMQWGWOJW-SFHVURJKSA-N 368.493 2.709 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc3ccccc31)C2 95386432 DXTCKMWBZYPRNN-QFBILLFUSA-N 365.477 2.891 0 50 FFAA CCc1nnc(NC(=O)[C@H](C)N2CCCN(c3ccccc3C)CC2)s1 244899590 ZMKKYYVMNBMEAW-HNNXBMFYSA-N 373.526 2.948 0 50 FFAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 244708125 KNZOQULOYPZRMS-SCTDSRPQSA-N 351.450 2.552 0 50 FFAA CC(C)(O)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 184676488 LCYMRVYCZYSDDH-KRWDZBQOSA-N 370.449 2.818 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc2nc(SCC)oc2c1 299783426 ZHPUCFRLTZCPBV-JSGCOSHPSA-N 351.428 2.865 0 50 FFAA COc1ccccc1-c1cc(CNC(=O)c2nn(C)c3c2CCCC3)on1 299768653 PQSDEEJPRCSQIG-UHFFFAOYSA-N 366.421 2.893 0 50 FFAA CN(C)c1ncnc2c1CCN(C(=O)CCSCc1ccccc1)C2 299771238 URUKBSOPBZEWLX-UHFFFAOYSA-N 356.495 2.751 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cc(O)nc2cc(F)ccc12 826607784 PPOQJKVHYIIIBL-GFCCVEGCSA-N 371.412 2.600 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2CNS(=O)(=O)c1cn(C(C)C)cn1 166825123 PLOCTJOKYUHUMM-HNNXBMFYSA-N 363.483 2.871 0 50 FFAA Clc1ccc(Cn2nnc(-c3ccncn3)n2)cc1Br 1473039035 WQVSHSRZTGGQRZ-UHFFFAOYSA-N 351.595 2.594 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(CCc2ccccc2)CC1 275723419 ZFNCKSZHQPWPJX-SFTDATJTSA-N 368.525 2.937 0 50 FFAA Cn1cc(-c2n[nH]cc2C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cn1 276035836 WRYGBBUYDIEOGT-MRXNPFEDSA-N 350.426 2.527 0 50 FFAA CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 170598942 YDDPQSLCMHGFPQ-PBHICJAKSA-N 352.500 2.976 0 50 FFAA Cc1[nH]nc(C2CC2)c1C(=O)N1CCCN(C(=O)Cc2ccsc2)CC1 1772708275 HCDUZUJIWRYQRD-UHFFFAOYSA-N 372.494 2.574 0 50 FFAA COc1cc(C(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1OC 13154412 NHDRMMURFMGQIN-UHFFFAOYSA-N 362.470 2.803 0 50 FFAA COc1ccc(Cc2noc(-c3ccc(N4CCC[C@@H](O)C4)nc3)n2)cc1 19146808 BPWODUSQICODFT-MRXNPFEDSA-N 366.421 2.692 0 50 FFAA CCOC(=O)CCN1CCc2c([nH]c3ccccc23)[C@H]1CC(=O)OCC 19864714 YMNHVMJTPSRVGW-QGZVFWFLSA-N 358.438 2.974 0 50 FFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)C[C@@H]2CC2(F)F)CC1 1857695091 TWHBXHBQPBOHIQ-SNVBAGLBSA-N 371.405 2.882 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857708995 XTUUEECRBKTKFP-UHFFFAOYSA-N 357.364 2.909 0 50 FFAA CC[C@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)n1cccn1 1857711291 RPOZZVLWLKTXCF-GOSISDBHSA-N 363.465 2.862 0 50 FFAA CCc1ccccc1OCC(=O)N1CCCC[C@H]1c1n[nH]c(COC)n1 408473740 QTIIRTDZFQXZNX-HNNXBMFYSA-N 358.442 2.646 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cccc(C)c3)C2)nn1 11965242 XHFQACDKXOAVBX-SFHVURJKSA-N 355.486 2.906 0 50 FFAA CC(C)(C)NC(=O)CN1CCC(CNc2ncnc3c(F)cccc23)CC1 252495707 OWZYPQDHEORYMK-UHFFFAOYSA-N 373.476 2.808 0 50 FFAA CC(=O)N1CCC(CNC(=O)N2CC(Cc3ccccc3Cl)C2)CC1 363367477 RYMXGSWCLULIEX-UHFFFAOYSA-N 363.889 2.782 0 50 FFAA Cn1ncc(C(=O)NC[C@H]2NCCc3ccccc32)c1Cc1ccccc1 1875313188 YEBNEUNJQBXKTI-HXUWFJFHSA-N 360.461 2.628 0 50 FFAA Cc1nc2c(NC[C@@H]3CCN(C(=O)C4C[C@H]5C[C@@H]5C4)C3)ncnc2s1 1875331785 CLLDSKJXEXEAEC-YNEHKIRRSA-N 357.483 2.701 0 50 FFAA CC(C)c1ccccc1-n1ccnc1SC[C@@H]1CCS(=O)(=O)N1 1875354633 YWDZNKZKMFCBNE-ZDUSSCGKSA-N 351.497 2.780 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1c[nH]cc1-c1ccccc1F 1875401013 QFVQMMSHQWMMIN-MJXNMMHHSA-N 368.412 2.587 0 50 FFAA COc1ccc(CCNC[C@@H](O)COc2ccc(Cl)cc2)cc1OC 2996736 BFGQRZAKGDVAPD-MRXNPFEDSA-N 365.857 2.929 0 50 FFAA O=C1C[C@@H](c2cccc(Cl)c2Cl)c2c(O)nc3ncnn3c2N1 4625365 HLCAGNBEEOONMQ-ZETCQYMHSA-N 350.165 2.611 0 50 FFAA C[C@H]1CCO[C@@H]1CC(=O)N(CCNC(=O)C1CC2(CCC2)C1)CC1CC1 2325866651 UDUOVNRUUNRHPI-MAUKXSAKSA-N 362.514 2.737 0 50 FFAA O=C(N(CCc1ccc(Cl)cc1)CC1CC1)C12C3C4C1C1C2C3C41CO 2332239223 AAIMPBAPLUWQAX-UHFFFAOYSA-N 369.892 2.851 0 50 FFAA COC(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1 124614488 PANJZIMIJIHFKO-OAHLLOKOSA-N 360.797 2.815 0 50 FFAA C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 979738 OHKSTJUHZYJQQT-CYBMUJFWSA-N 366.870 2.811 0 50 FFAA CC(C)Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 1113113 XOIPDNIAPFEDCC-UHFFFAOYSA-N 371.466 2.998 0 50 FFAA O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCCCC1 1156768 BHCBYMXWASAGTR-UHFFFAOYSA-N 368.474 2.629 0 50 FFAA C[C@]1(O)CCOC2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)C1 2356141800 QDAZIQLTEVQFKY-KRWDZBQOSA-N 353.846 2.965 0 50 FFAA CCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 4602602 QCFPBXMJWCLKFG-MRXNPFEDSA-N 364.467 2.840 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@@H](C)Cc2c(C)nn(C)c2C)CC1 225565193 UXKHSBSCJBQZQV-AWEZNQCLSA-N 370.497 2.989 0 50 FFAA CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)C1 54104278 WJULDALUBFMPGG-FUHWJXTLSA-N 372.465 2.717 0 50 FFAA O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)N1CCCC1 67631068 KLUVWDXBXHIEDO-UHFFFAOYSA-N 360.845 2.511 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)[nH]n2)c1 67818856 RSZIVUJJIYWBCJ-CQSZACIVSA-N 351.410 2.828 0 50 FFAA C/C=C(\C)CN1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23358836 QUTLKPNCBSAPGA-RGTKQAGQSA-N 371.525 2.964 0 50 FFAA Cc1nn(C)c(C)c1CN(C)Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 65383152 RETOWMDWJFNYFW-UHFFFAOYSA-N 366.469 2.655 0 50 FFAA CCn1c([C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)nn(C)c1=O 67965966 XVZCYEFEGPGMJD-ZDUSSCGKSA-N 352.841 2.774 0 50 FFAA Cc1cc2c(cc1CN1CCCC[C@H]1CCN1CCN(C)CC1)OCO2 67714502 OHLUPJSIBDVZNU-IBGZPJMESA-N 359.514 2.716 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)NCCn2c(=O)[nH]c3ccccc32)n1 120409929 HNZYBHCUGFSUIR-SFHVURJKSA-N 365.437 2.580 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1c[nH]c(=O)c(Cl)c1 72146410 AFZJJUZXZQRCBE-CQSZACIVSA-N 363.820 2.562 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CCC2(CCC(=O)N2)CC1 219888638 ABLOILRUCJFXLN-INIZCTEOSA-N 368.481 2.821 0 50 FFAA c1cn2c(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)cnc2cn1 365171202 PJBWHBLTOJHYIN-MRXNPFEDSA-N 368.441 2.734 0 50 FFAA CN1C[C@]2(CCCN(C(=O)CCSCc3ccc(F)cc3)C2)OC1=O 219240828 GYNVEXRQIXBLIX-SFHVURJKSA-N 366.458 2.892 0 50 FFAA CCCOC[C@H]1CCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1 72140074 FXWVAHFRIVCOBV-AWEZNQCLSA-N 352.442 2.678 0 50 FFAA O=C(NC1CCC(C(=O)O)CC1)c1cc(Br)c2c(c1)OCO2 262077942 KKIOZRSZVPHLSM-UHFFFAOYSA-N 370.199 2.551 0 50 FFAA C[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)n1cnc2ccccc21 216945986 LBGVZEBJZCVHMW-ZDUSSCGKSA-N 353.426 2.997 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CN1CCC(O)CC1 72476755 UDZSYKFCBAYGOU-UHFFFAOYSA-N 354.450 2.894 0 50 FFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CC[C@@H]1c1ccccc1 35895146 XJJCNPMJDDALAG-HXUWFJFHSA-N 366.440 2.907 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@H]3CCCc4nn(C)cc43)CC2)cs1 283273806 RWLDOIAJEAXHRM-KRWDZBQOSA-N 373.526 2.591 0 50 FFAA Cc1cc(C)nc(CNc2nc(C3CCCC3)nc3c2CCNCC3)n1 72435061 PBNAMORJEOSNTN-UHFFFAOYSA-N 352.486 2.841 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 283706136 SUOGGJGPDSBOSK-AKKLJKOSSA-N 368.481 2.707 0 50 FFAA COc1cccc(C2(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)CC2)c1 284316845 VLODVJRLKSPFPN-KRWDZBQOSA-N 371.458 2.762 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 174868657 ULMTVCUCSJWBFH-MOPGFXCFSA-N 367.449 2.583 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 220115175 SRJYHTBDRPHDHH-OAHLLOKOSA-N 364.490 2.625 0 50 FFAA CC1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 17075500 ZPFLXAQHFAWQMT-UHFFFAOYSA-N 367.540 2.900 0 50 FFAA COc1cccc(SCC(=O)N(C)Cc2cccc(-c3nnn[nH]3)c2)c1 223188535 IBANUPLMEGIEDN-UHFFFAOYSA-N 369.450 2.626 0 50 FFAA Cc1cc(C(=O)N(C)CCN(C)C2CCN(C)CC2)nc2ccccc12 193622093 HDHVTKQZOORPSH-UHFFFAOYSA-N 354.498 2.641 0 50 FFAA O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1cnc[nH]1 40396638 JIURUHYNNSFXBV-UHFFFAOYSA-N 374.379 2.816 0 50 FFAA CC(=O)N1CCCN(Cc2csc(CC(=O)N(C)C)n2)c2ccccc21 177819949 QFYOQSYVJFONSY-UHFFFAOYSA-N 372.494 2.537 0 50 FFAA COc1cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)ccc1O 223948262 DWSMPLLIXXYNLR-UHFFFAOYSA-N 357.410 2.756 0 50 FFAA O=C(O)COc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95380403 YPWNFFHNBWLRAB-PKOBYXMFSA-N 358.482 2.846 0 50 FFAA CC(C)N1CCC(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 95507257 GFTIPAIKNPOPNJ-OAQYLSRUSA-N 356.466 2.743 0 50 FFAA O=C(NCCCN1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12 97759158 PDHHDOAXYOBMMN-UHFFFAOYSA-N 365.408 2.850 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)C(=O)NC 426487596 UWAZZEJMLCMBFS-SFHVURJKSA-N 356.397 2.950 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)CN1C(=O)CCc2ccccc21 95510636 ZTANWCRZDKJNJM-UHFFFAOYSA-N 374.444 2.810 0 50 FFAA C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239402655 QWRNWBJUEJNSTO-ZHTNZKAISA-N 370.836 2.720 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95358622 FJTNKACSJKEBCH-LJQANCHMSA-N 360.498 2.923 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnoc1-c1ccccc1)C2 95521490 DZODVIDVCOIDQG-JKSUJKDBSA-N 353.422 2.815 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3sc(N)nc3C)C2)CCC1=O 91645861 UHZCAQOSLMXHFW-GOSISDBHSA-N 364.515 2.679 0 50 FFAA Cc1ccccc1COC1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C1 95376152 JERAKDGZUUGYTM-UHFFFAOYSA-N 370.493 2.761 0 50 FFAA Cc1ccc([C@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c(F)c1 95380609 ZDVRSQYZEGNKJH-LJQANCHMSA-N 357.429 2.863 0 50 FFAA CC1CCN(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)CC1 95387457 VYNRAAONSRDCOA-QGZVFWFLSA-N 366.483 2.541 0 50 FFAA Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)COC3)N2CCOCC2)o1 92164556 XUCCCGNRXHAFSG-SFHVURJKSA-N 371.437 2.813 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)NC[C@@H]2CCOc3ccccc3C2)c1C 95386345 BGYKICVKSMOQJI-QGZVFWFLSA-N 369.465 2.850 0 50 FFAA O=C(CCCOCc1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 91269771 HKZRFKUCPUQQIK-HXUWFJFHSA-N 360.498 2.697 0 50 FFAA O=C(CCc1ccccn1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244734308 NDDSZJXQIUJRNS-CDXJDZJCSA-N 352.434 2.578 0 50 FFAA COCc1nc(N2CCC(c3ccncc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244874587 XDRDCWFXSJSEPD-CALCHBBNSA-N 353.470 2.607 0 50 FFAA N[C@H]1C[C@@H](c2cc(NCCNC(=O)c3ccc(F)cc3)nc(C3CC3)n2)C1 244652017 GYGKHHGDKSODNP-FZNQNYSPSA-N 369.444 2.540 0 50 FFAA CN(Cc1ccccc1)C(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263619127 XATJGNXQVHSNAJ-SFHVURJKSA-N 366.396 2.961 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3cnc4c(C)cccn34)C2)n1 534583347 BZBBVKFIBJLZNL-MRXNPFEDSA-N 352.442 2.613 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3noc(-c4ccccc4)n3)[C@H](O)C2)cs1 299776606 AGCFAENLUHJCHJ-HZPDHXFCSA-N 371.466 2.549 0 50 FFAA Cn1nc2c(c1C(=O)NC1CCN(CCc3ccccc3)CC1)CCCC2 299797637 OIFPEPUQPKISLA-UHFFFAOYSA-N 366.509 2.736 0 50 FFAA Cc1csc(CN(C)C(=O)c2cccc(-c3n[nH]c(N(C)C)n3)c2)n1 299781491 FMIKFJAFGXHRAA-UHFFFAOYSA-N 356.455 2.575 0 50 FFAA CCCc1nnsc1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 299765154 XIEKTFPZSUDEAR-NSHDSACASA-N 364.858 2.679 0 50 FFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(-c2cc[nH]n2)oc1C 823086825 PWLRPJAPCQETBH-ZDUSSCGKSA-N 353.444 2.558 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)c1ccc(-n2ccnc2)cc1 828161119 DWUVCDXLBOFXIO-UHFFFAOYSA-N 350.426 2.899 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)NCc2cc(COc3ccccc3)cs2)C1 584889100 TUNCKRQYDRDCFM-MRXNPFEDSA-N 373.478 2.747 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCCN(c2ccc(F)cc2)CC1 952971239 XOKDBUXMYUSNQI-UHFFFAOYSA-N 365.412 2.963 0 50 FFAA CC(C)(O)C(F)(F)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 170083057 JVLXMBCUBQRULF-UHFFFAOYSA-N 360.832 2.781 0 50 FFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cnn2ccncc12 189161978 KBIQSTDWZNVACT-UHFFFAOYSA-N 364.453 2.503 0 50 FFAA C[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)N1CCNC1=O 791223994 UCVUBIKKEGCOFN-GFCCVEGCSA-N 364.829 2.635 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc4cccc(Cl)c4n3)C[C@@H]2O)n[nH]1 1529174723 XHEJGGHFVPCZGY-KDOFPFPSSA-N 356.857 2.955 0 50 FFAA O=C(CN1CCC([C@@H](O)c2cccs2)CC1)NCCc1ccccc1 1529161183 AXTHBZBFNMSOFH-HXUWFJFHSA-N 358.507 2.852 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)CCc2cn[nH]c2)CC1 1529182254 ZNZFZEVFABPVQW-UHFFFAOYSA-N 374.872 2.679 0 50 FFAA COc1ccc(Cc2nc(-c3nn(C)cc3Cl)n([C@H]3CCOC3)n2)cc1 1772816982 ZTGKWQURDZTPCN-ZDUSSCGKSA-N 373.844 2.893 0 50 FFAA Cn1ccc(C2CCN(C(=O)COc3ccccc3Cl)CC2)cc1=O 1772811306 VQZGLJXCAFCRHN-UHFFFAOYSA-N 360.841 2.824 0 50 FFAA O=C(CCC1CCN(Cc2cccc3nonc23)CC1)NC[C@@H]1CCCO1 12026646 GPVDUEBDFIAXIK-KRWDZBQOSA-N 372.469 2.510 0 50 FFAA COCC1CCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)CC1 12201084 HWTJEQZOOSHACN-UHFFFAOYSA-N 368.437 2.880 0 50 FFAA O=C1N(CC2CCCCC2)CCC[C@]1(O)CNC1Cc2ccccc2C1 12591910 DSJSMAZTKIZMSY-QFIPXVFZSA-N 356.510 2.677 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1nonc1C 12750619 BDZJDCARRMWKDM-LBPRGKRZSA-N 358.446 2.738 0 50 FFAA OCC1CCN(c2ncc3c(n2)CCC[C@H]3NCc2cccc(F)c2)CC1 14972587 HNDXGMOSBGPKJI-LJQANCHMSA-N 370.472 2.992 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCN(CCc2ccncc2)CC1 19812944 XDMLNCYYLXXVAZ-QGZVFWFLSA-N 370.522 2.568 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)nn1C 1857696085 MGAXXNYWTKDFHW-IEBWSBKVSA-N 369.465 2.616 0 50 FFAA Cc1cc(CN2CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)n[nH]1 1857712008 CUSVXHDWQOXQJO-FQEVSTJZSA-N 355.486 2.991 0 50 FFAA Cc1ccccc1C1=NN(C(=O)CCN2CCOCC2)[C@@H](c2ccco2)C1 408525723 WVBDLJIMWHXSPS-LJQANCHMSA-N 367.449 2.988 0 50 FFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1O 119214912 FDLMKNVJIQHPEU-HNNXBMFYSA-N 352.394 2.660 0 50 FFAA CN(C(=O)c1cnn2c1CCCC2)[C@H]1CCCN(Cc2ccccc2)C1 127308447 KZQQNHQFUZUTFU-SFHVURJKSA-N 352.482 2.956 0 50 FFAA CCCn1cc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)c(C)n1 1704326628 KDOHGKNHKBONBL-HXUWFJFHSA-N 353.470 2.820 0 50 FFAA Cc1cc2c(cc1O)CCN(C(=O)c1cc3c(cc1Cl)NC(=O)CO3)C2 1875295532 IWJHDQLSCFPGDV-UHFFFAOYSA-N 372.808 2.883 0 50 FFAA C[C@@H](C(=O)N[C@H](C)c1cc(C(F)(F)F)n[nH]1)n1c(=O)oc2ccccc21 1875320836 MPFBCJNVRQOBJO-BDAKNGLRSA-N 368.315 2.775 0 50 FFAA COCCN(C(=O)N1CCCC2(COC2)C1)c1ccc(C(F)(F)F)cn1 1875316170 YOOSCILNNBLQGX-UHFFFAOYSA-N 373.375 2.786 0 50 FFAA COc1cc(-c2noc([C@H]3CN(C)C[C@@H](C)O3)n2)cc(Cl)c1OC 886077920 RASSMIRUXXPORQ-NOZJJQNGSA-N 353.806 2.799 0 50 FFAA Cc1c(CNC(=O)c2cnn3c2CC(F)(F)C3)noc1-c1ccccc1 2325813202 XJWOHXUTBXTPKS-UHFFFAOYSA-N 358.348 2.968 0 50 FFAA O[C@H](CNCc1ccccc1CN1CCCC1)C[C@H](O)c1ccccc1 905027706 QQEBWLKTVLSIHT-VXKWHMMOSA-N 354.494 2.857 0 50 FFAA CN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 894996 DNQUSKWSPIFOFH-KRWDZBQOSA-N 360.207 2.886 0 50 FFAA CC(=O)c1cccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1 1075495 TYHGPPIRYCDSEI-UHFFFAOYSA-N 360.435 2.602 0 50 FFAA Cc1ccc(Cc2nc3sc4c(c3c(=O)n2N)CC(C)(C)OC4)cc1 1076692 HQRNSPHBJOVXKV-UHFFFAOYSA-N 355.463 2.922 0 50 FFAA COC(=O)Cc1c(C)c2ccc(OCC(=O)OC(C)(C)C)cc2oc1=O 1118427 MGKPFACLVFCXQV-UHFFFAOYSA-N 362.378 2.537 0 50 FFAA COc1ccc(OC)c(CN2CCC(C(=O)NCc3ccccn3)CC2)c1 1179410 YHCZTLLVPDQUAQ-UHFFFAOYSA-N 369.465 2.627 0 50 FFAA CCn1cnc(CN2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)c1 2356146300 ZYGXQXQRPNTINB-UHFFFAOYSA-N 371.481 2.984 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cnc(-c3cccc(C)c3)nc2)CC[C@H]1O 2356146554 KXIARIQYUSWSDD-WIYYLYMNSA-N 369.465 2.890 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1 4938565 SGHRUTCKNPTETL-UHFFFAOYSA-N 353.357 2.926 0 50 FFAA Cn1cc(CN2CCN(c3cnccn3)CC2)c(-c2cccc(Cl)c2)n1 55154057 OCJOVCWCMIUKDY-UHFFFAOYSA-N 368.872 2.853 0 50 FFAA COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(OC)c1 20653450 CHMQXXDMMSRLDB-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@H](NC)C2)ccc1OCc1ccncc1 133955707 RKPKIQXTRGWBJH-SFHVURJKSA-N 369.465 2.883 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)s1 67654628 NDWBYSKLGSFMOO-HXUWFJFHSA-N 358.507 2.742 0 50 FFAA Cc1nc(NCCN2CCc3ccccc3C2)cc(C2CCNCC2)n1 67696784 TXNDMAKUWRCWDK-UHFFFAOYSA-N 351.498 2.722 0 50 FFAA CCOc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)ccc1O 39413428 OZLZYTBOSKOUQK-LJQANCHMSA-N 362.514 2.992 0 50 FFAA O=C(CCC1CCCCC1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67601862 UONJVNGPLGMQGR-UHFFFAOYSA-N 368.485 2.671 0 50 FFAA CC[C@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nc(C)no1 72407398 OJKBFZXAFIFXEB-ZDUSSCGKSA-N 350.386 2.680 0 50 FFAA O=C(N1CC[C@H](OCc2ccncc2)C1)C1(c2ccccc2)CCOCC1 172252205 SQUMMGUELYMNSW-FQEVSTJZSA-N 366.461 2.948 0 50 FFAA CCc1cccc(CC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)c1 478200588 UZHROAMAXYEBRW-UHFFFAOYSA-N 351.406 2.795 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)N1CCO[C@@H]([C@H]2CCCO2)C1 151740508 JKFJXDYWXFJPSO-ZIAGYGMSSA-N 364.492 2.821 0 50 FFAA COCCc1nc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2o1 12580704 QMSMLVDPPBGZKX-UHFFFAOYSA-N 370.405 2.964 0 50 FFAA COc1cccc(N2C[C@@H]3C[C@@H](c4cnn(C)c4C)N4CCC[C@@]34C2=O)c1 15079035 MHICYEXDFOTFJL-ZRCAFCQKSA-N 366.465 2.680 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1CC1CCNCC1 72473149 HMVSLHCIEODRME-AZUAARDMSA-N 359.489 2.638 0 50 FFAA COc1ccccc1N1CCc2nc(N)c(C#N)c([C@@H]3CCOC3)c2C1 72150101 BPCYQISZWDEKQO-CYBMUJFWSA-N 350.422 2.611 0 50 FFAA C[C@@H]1C[C@H](OC[C@H](O)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35338685 YVZCQTKERJQJPX-QRVBRYPASA-N 361.530 2.796 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)o1 72477815 SXYYLBIMNUTOJF-UHFFFAOYSA-N 368.433 2.943 0 50 FFAA O[C@H](CNC[C@H]1COc2ccccc2O1)CO[C@H]1CCCc2ccccc21 241132774 JLOBBNWYXHGHLJ-HBFSDRIKSA-N 369.461 2.871 0 50 FFAA C[C@@]1(c2ccccc2)CN(C(=O)c2ccccc2Cn2cncn2)CCO1 157243269 SCGYTYTZGVTGIG-NRFANRHFSA-N 362.433 2.714 0 50 FFAA CCCc1ncncc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72140509 YTCBCRWOYYLZKM-IBGZPJMESA-N 364.493 2.744 0 50 FFAA C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1csc(CN)n1 237703406 DCAUZRNRNKDNLB-IINYFYTJSA-N 351.859 2.857 0 50 FFAA O=C(O)[C@H]1CC2(CCN(c3nccc4occc34)CC2)CN1C(=O)C1CC1 72439641 FSVSPZWPZGVHLI-OAHLLOKOSA-N 369.421 2.510 0 50 FFAA O=C1NC[C@]2(CCCN(Cc3cnc(SCc4ccccc4)nc3)C2)O1 216036286 NXPIGCTYZPVMDC-IBGZPJMESA-N 370.478 2.843 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O)CO2 262968397 OMINAGBWVBGVDQ-YOEHRIQHSA-N 369.417 2.748 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(c2ccncc2F)CC1 77505633 MOCJCCDSXHETOI-UHFFFAOYSA-N 358.465 2.719 0 50 FFAA Cn1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)ccc1=O 131610374 BQNUANWEALFYSA-UHFFFAOYSA-N 373.210 2.586 0 50 FFAA CN1CCC(CNC(=O)Cn2ncc3ccccc32)(c2ccccc2)CC1 220445756 ATQATSSRGRJJJW-UHFFFAOYSA-N 362.477 2.816 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc12 223245858 FLKSOKUPDXKRNV-NBPAUJCUSA-N 354.450 2.940 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2nc3ccccn3c2F)s1 19852885 RGISPADCDJYWTA-JTQLQIEISA-N 358.398 2.611 0 50 FFAA CC(C)Cc1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 44921120 ZURCBKMUJSGPNW-UHFFFAOYSA-N 369.450 2.599 0 50 FFAA C[C@@H](NC(=O)c1cnc(C(C)(C)C)[nH]c1=O)c1ccccc1-n1cccn1 82114443 LJYJBGUHKIYDHZ-CYBMUJFWSA-N 365.437 2.744 0 50 FFAA O=C(Oc1ccc2cn[nH]c2c1)[C@H]1CCCCN1C(=O)c1cccnc1 131993611 JMBKXNOVJRSFHW-QGZVFWFLSA-N 350.378 2.558 0 50 FFAA COc1cccc2c1ccn2CCC(=O)N1CCN(c2ccccn2)CC1 44892071 ODPGTFVJZJEGAB-UHFFFAOYSA-N 364.449 2.784 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(c2ccc(OC)cc2)C(=O)C1 82098035 OYVMXAUERGQTNX-UHFFFAOYSA-N 370.453 2.524 0 50 FFAA COc1ccc(/C=C/CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cc1 426727300 BLWMLUGFIVZYRZ-NKEDHYFDSA-N 355.438 2.869 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccncc2)cc1 426550674 SGLMQBPTGJUECZ-UHFFFAOYSA-N 350.422 2.771 0 50 FFAA O=C(C[C@@H]1CCCC(=O)N1)NCc1ccnc(Oc2ccccc2F)c1 289417419 MJPOGZSXKVWZLP-AWEZNQCLSA-N 357.385 2.688 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)NC(C)(C)CN1CCCCC1 426624909 XDMTXYKNSCKLNZ-UHFFFAOYSA-N 372.473 2.538 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1csc(-c2cccnc2)n1 82087587 XYZZTJWJHKHEEB-UHFFFAOYSA-N 369.494 2.847 0 50 FFAA NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 426705591 DXZRSHOJGDNMRF-HXUWFJFHSA-N 366.461 2.759 0 50 FFAA O=C1C[C@@H](c2cn[nH]c2-c2ccc(F)cc2)C2=C(C3CCC3)NNC2=N1 198161580 PMOGQEDNEHEXGM-ZDUSSCGKSA-N 351.385 2.790 0 50 FFAA CCn1ncc(C(=O)N2CCc3[nH]c(-c4cccc(OC)c4)nc3C2)c1C 96136664 WNRVNJKJIMAQHB-UHFFFAOYSA-N 365.437 2.809 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@H](c1cccc(F)c1)N(C)C 95386399 JODYNGGEPPAOAO-KRWDZBQOSA-N 369.400 2.532 0 50 FFAA COc1cccc([C@@H]2CN(Cc3c(C)noc3C)C[C@H]2C(=O)O)c1OC 91603596 GEPHERLXCFGKLR-JKSUJKDBSA-N 360.410 2.609 0 50 FFAA Cc1noc(C2CCN(C(=O)NCc3ccnc(OC(C)C)c3)CC2)n1 179130834 HGPJLUILBIJWNW-UHFFFAOYSA-N 359.430 2.649 0 50 FFAA COc1ccc(OC)c(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 426521219 KYVYIRLCDMXSGA-HNNXBMFYSA-N 358.442 2.522 0 50 FFAA Cc1cccc(O[C@H](C(=O)N2CCC(CN3CCOCC3)CC2)C(C)C)c1 91444785 SNGCKRGFSJWOIY-NRFANRHFSA-N 374.525 2.969 0 50 FFAA O=C(NC1CCN(c2cnccn2)CC1)c1ccc([C@@H]2CCCO2)s1 91364474 UAYRNSOUNYYMMK-AWEZNQCLSA-N 358.467 2.788 0 50 FFAA O=C(CN1CC[C@H](c2ccccc2)C1)NCc1cc(-c2cccnc2)no1 230462112 KIOZTVPMOQVOGK-SFHVURJKSA-N 362.433 2.842 0 50 FFAA COCCn1cnnc1[C@@H](C)NC(=O)c1[nH]c2c(C)cc(C)cc2c1C 91677938 BAPPDFUVQQRJFO-CQSZACIVSA-N 355.442 2.822 0 50 FFAA O=C(c1cccn1C1CC1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91678934 DKXQXOQKLXOJDE-PKOBYXMFSA-N 350.466 2.955 0 50 FFAA CN1CC2(CCN(c3nc(CO)cs3)CC2)C[C@H](c2ccccc2)C1=O 91586659 PHGTZWHADFFWGN-QGZVFWFLSA-N 371.506 2.868 0 50 FFAA Cc1c(CN2CCN(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 23282055 QLEXDDMKBJOJDL-UHFFFAOYSA-N 362.477 2.807 0 50 FFAA O=C(O)c1ccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)nc1 95367469 MYCMZGAWOMIHOA-INIZCTEOSA-N 363.421 2.804 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)C1CCN(C(=O)C2CCCC2)CC1 91943316 JCDVSZPQDZKGQZ-UHFFFAOYSA-N 372.513 2.724 0 50 FFAA O[C@@H]1CN(Cc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)C1 95522025 LPZSJYXNZOCMFN-GOSISDBHSA-N 362.420 2.967 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)Cn2ccc3ccccc32)n1 244659411 HCERHFMCWIYMGS-KRWDZBQOSA-N 368.437 2.967 0 50 FFAA CN(C)c1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1 244594119 DGSCIYPOJFAJHL-DSKINZAPSA-N 366.461 2.930 0 50 FFAA COCc1n[nH]c(C)c1-c1ccc(C(=O)N(C)CCn2ccnc2C)cc1 534639388 KGFVSJZECLBKGZ-UHFFFAOYSA-N 367.453 2.809 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2n1 299773003 BQKXGTZEEFGLOG-UHFFFAOYSA-N 366.469 2.919 0 50 FFAA CCc1noc(CN(CC)C(=O)c2cccc(-c3nccnc3OC)c2)n1 299794753 JRRIIOBVIVCWQC-UHFFFAOYSA-N 367.409 2.760 0 50 FFAA CCc1nc(C)c(-c2nc(CC(N)=O)nn2Cc2ccc(C)cc2)s1 823550017 OZKSCCWIUYSAFJ-UHFFFAOYSA-N 355.467 2.657 0 50 FFAA COCc1nc([C@@H]2CCCN(c3ccccn3)C2)n(-c2cccc(C)n2)n1 584886092 RZZJAWZCADYWJO-MRXNPFEDSA-N 364.453 2.896 0 50 FFAA O=C(N[C@H](c1ccccc1)c1ccco1)c1cc(=O)nc2sccn12 670433977 RRQYTQOCRURNSF-MRXNPFEDSA-N 351.387 2.868 0 50 FFAA CCCn1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c(C)n1 952973804 YEXOPOBALQWRSS-OAHLLOKOSA-N 352.442 2.664 0 50 FFAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCS(C)(=O)=O)C1 952976007 MQAKDJKNNGNXTA-GFCCVEGCSA-N 358.891 2.950 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 952988619 JWULTXOVHZADCJ-KRWDZBQOSA-N 351.406 2.547 0 50 FFAA O=C1O[C@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@H]2N1C1CCCC1 1565530725 SZKRBYJEZAXQSU-CVEARBPZSA-N 362.499 2.691 0 50 FFAA C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cnc(O)c(Br)c2)C1 408221612 JHHQJNODMKSPLT-HWPZZCPQSA-N 371.275 2.857 0 50 FFAA COCCN(C)c1ccc(CNc2cccc(N3CCOC3=O)c2)cn1 190831249 PDMCGLUAPHSCSR-UHFFFAOYSA-N 356.426 2.733 0 50 FFAA Cc1noc(Cl)c1CCC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 195348930 QPDSDGGNUMVIAS-OAHLLOKOSA-N 361.829 2.659 0 50 FFAA COc1cccc(SCC(=O)Nc2ccnn2C2CCN(C)CC2)c1 1529119798 MGHNCABBBGKOPK-UHFFFAOYSA-N 360.483 2.889 0 50 FFAA O=C(c1ccccn1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 220288335 HMLHXEXUKBTWIM-QAPCUYQASA-N 369.490 2.839 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@H]1CCCN(C(N)=O)C1 11937103 OUZWWVRWUMNLFH-INIZCTEOSA-N 368.437 2.589 0 50 FFAA CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 12167406 IJLGHXQSHGHOMJ-RISCZKNCSA-N 359.401 2.757 0 50 FFAA C[C@H](CNC(=O)c1cn(CCCc2ccccc2)nn1)Oc1cccnc1 12306551 ZPNAHWUPCQCBTP-MRXNPFEDSA-N 365.437 2.503 0 50 FFAA O=C(NCCCc1ccccc1)[C@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2 14982702 STDSNJHINFTSKS-RTBURBONSA-N 370.493 2.543 0 50 FFAA Cc1cccc(C)c1OCc1cc(C(=O)N(C)Cc2cnccn2)no1 15077416 UBKQAQFXTWVMRJ-UHFFFAOYSA-N 352.394 2.933 0 50 FFAA CCc1ccc(-c2ccc(N3CCC[C@H](C)C3)nn2)cc1S(N)(=O)=O 16651151 NJNQERQXZNVROW-ZDUSSCGKSA-N 360.483 2.590 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cc[nH]c3)C1)CC2 1857696812 NUUOZALLGIWQSQ-HXUWFJFHSA-N 354.454 2.928 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3cc(F)ccc3-n3cccn3)C[C@]23CC[C@H]1O3 1857709265 OLFGGIIXCGZTLG-UYWIDEMCSA-N 370.472 2.552 0 50 FFAA O=C(NCc1cc[nH]n1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1875249682 PKCBTOMBVGBRDR-LLVKDONJSA-N 359.817 2.737 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 219938438 RSFHAJWSJRTVGO-AEFFLSMTSA-N 371.506 2.904 0 50 FFAA O=C(NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)c1cncs1 11870382 UIHBNUJXWTXAQL-ZDUSSCGKSA-N 372.837 2.987 0 50 FFAA CCCCS(=O)(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 12319641 AGZWCAPSYPSQJG-IBGZPJMESA-N 365.543 2.745 0 50 FFAA O=C(O)c1cnc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cn1 263386853 CTTZGQDFGNBAMO-UHFFFAOYSA-N 365.311 2.655 0 50 FFAA CC(=O)N1CCC[C@H]1c1nc(-c2cccc(S(C)(=O)=O)c2)cs1 864367529 BHCCTLUQHZJDKB-HNNXBMFYSA-N 350.465 2.897 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1 869336475 RZDYYRVQKYZPFT-UHFFFAOYSA-N 352.438 2.769 0 50 FFAA Cc1ocnc1C(=O)N[C@@H]1CC12CCN(CCCC1CCOCC1)CC2 952894567 NZTLTYGLGTXNEA-QGZVFWFLSA-N 361.486 2.774 0 50 FFAA Cc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1 1875290460 IOOMNNDQXOSFIS-CVEARBPZSA-N 370.497 2.944 0 50 FFAA O=C(N[C@H]1CC[C@H](OC(F)F)C1)N1CCN(Cc2cccc(F)c2)CC1 1875363376 FSJVWZGMWKRHSU-HOTGVXAUSA-N 371.403 2.813 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cccnn34)cc2F)n1 1875322719 CUSAVJYPSURPAB-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA C=CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)CC1 1875383048 DQCFNXPFBOYWMO-KOMQPUFPSA-N 360.454 2.603 0 50 FFAA CC(C)c1cc(N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875330340 OFLGGVFZIDVCPC-NWDGAFQWSA-N 373.423 2.559 0 50 FFAA Cc1ccc(-n2cccc2)c(C(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c1 1875403256 RNCJXCWJIWFYAJ-ILZDJORESA-N 364.449 2.552 0 50 FFAA CC(C)n1cnc(C(=O)N2CCC[C@@]3(NC(=O)[C@@H]4C[C@H]4C)CCC[C@H]23)c1 1875407143 UATKZXIUYGYMOE-UOSKARGWSA-N 358.486 2.764 0 50 FFAA Cc1nc(O)cc(N2CCC3(CC2)C[C@@H](C)N(C(=O)[C@H]2CC2(C)C)C3)n1 1875407580 DBEHHSPTGGEFRU-UKRRQHHQSA-N 358.486 2.744 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 886096452 IAIRXYVCGISXMO-LLVKDONJSA-N 351.204 2.700 0 50 FFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c[nH]1 404348723 IEOOCAGJTRMMAJ-YESZJQIVSA-N 353.466 2.807 0 50 FFAA CC(C)[C@@H](CNS(=O)(=O)CC(C)(C)C(C)(F)F)c1ccnn1C 2325776238 FQDZTRONLVIYFL-GFCCVEGCSA-N 351.463 2.761 0 50 FFAA Cn1c(Cc2ccccc2)cnc1C(=O)N1CCc2ccccc2[C@@H](O)C1 2325893126 WJIIEUFFSXSHFO-FQEVSTJZSA-N 361.445 2.743 0 50 FFAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 793347 GVQGFEPAXJETEB-NRFANRHFSA-N 369.417 2.921 0 50 FFAA Cc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1 1188105 JYVCQNSFQDBPAO-UHFFFAOYSA-N 358.463 2.813 0 50 FFAA COC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCC2 2231545 ICDJBWUYBDJZEX-UHFFFAOYSA-N 350.421 2.743 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccc3ccccc3n2)C1=O 2356152764 ZWMYZLFHDOQSPQ-NRFANRHFSA-N 353.466 2.838 0 50 FFAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 4122208 SJIJHXXOFMIEPM-SECBINFHSA-N 350.724 2.593 0 50 FFAA C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ncon1 245968370 VYFBXCSFXJFNPK-LLLHUVSDSA-N 368.437 2.720 0 50 FFAA Cc1ccnc([C@H](NC(=O)c2ccc(Cn3nnnc3C)cc2)C2CC2)c1 65526536 UCHNAJUXFVYUJQ-LJQANCHMSA-N 362.437 2.614 0 50 FFAA Cc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCOC3=O)c2)c1 55042609 FZBGVCVHJOZWLD-UHFFFAOYSA-N 353.378 2.638 0 50 FFAA O=C(CN1CCCC[C@H]1c1nc(-c2ccccc2)no1)NCC(F)(F)F 116781289 PRIZRSOSCWGTKV-ZDUSSCGKSA-N 368.359 2.942 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1 65397395 RZADJTJNEQLMQA-AWEZNQCLSA-N 359.447 2.527 0 50 FFAA N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCc2onc(-c3ccccc3)c2C1 67650515 YTPISOKQMMCIBV-SFHVURJKSA-N 363.417 2.502 0 50 FFAA O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCCC1 24608299 QAGMVHASTFOOHA-UHFFFAOYSA-N 370.902 2.504 0 50 FFAA O=C(CC1(O)CCCC1)N1CCN(CCOc2ccccc2Cl)CC1 118872296 BUFMRUQTCGRHRL-UHFFFAOYSA-N 366.889 2.558 0 50 FFAA O=C(NCc1cccs1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccn1)C2 1073369759 PHQJBDMOTAYIIF-RDJZCZTQSA-N 356.495 2.949 0 50 FFAA Cn1cc([C@@H]2c3nc[nH]c3CCN2Cc2cccn2-c2nccs2)cn1 67947822 YWKVOFDMNPKIQP-QGZVFWFLSA-N 365.466 2.538 0 50 FFAA COC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 253393107 QNZZXHVPCLPCPE-INIZCTEOSA-N 373.236 2.755 0 50 FFAA Cc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c(=O)[nH]1 67642622 FLJNGPYQFGQQSF-UHFFFAOYSA-N 364.405 2.812 0 50 FFAA CO[C@H](C(=O)NC1CCN(Cc2cccc(O)c2)CC1)c1ccccc1 67432124 NEAHOGPYFTZMJO-FQEVSTJZSA-N 354.450 2.861 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CCn2cc(Br)c(C)n2)cc1 2805316 MHSXSWPLXJGHRJ-UHFFFAOYSA-N 365.231 2.941 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1NC(C)=O 230069328 IMPZRPWKSOVQII-WMLDXEAASA-N 366.483 2.997 0 50 FFAA COc1ccnc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)c1OC 72167909 SRMITYJFQDKXAZ-NRFANRHFSA-N 367.449 2.609 0 50 FFAA Cc1cccnc1[C@@H]1CCC[C@H](NCC2CCN(S(C)(=O)=O)CC2)C1 281388096 XUSMCJKJEFUAJM-MSOLQXFVSA-N 365.543 2.677 0 50 FFAA CN(C)c1nc(CNc2ccc(S(=O)(=O)C3CCCC3)cc2)ns1 154513228 ZXFBHMVDIQNOCU-UHFFFAOYSA-N 366.512 2.933 0 50 FFAA C[C@@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1nnc2n1CCCC2 153405120 LCOPNRLOYNOPNH-CYBMUJFWSA-N 366.425 2.830 0 50 FFAA Cc1nn(C)cc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72470562 WGBSXTJHIVJMRO-QFBILLFUSA-N 372.538 2.846 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77287092 UZAPYBQHLISAJS-CQSZACIVSA-N 358.398 2.536 0 50 FFAA COc1ccc(-c2nc(CN3CCCC(CO)(CO)C3)c(C)o2)c(C)c1C 71775652 JVBKNLQANAKJNW-UHFFFAOYSA-N 374.481 2.842 0 50 FFAA CC1=C(CCN2CCN[C@H](C(=O)NCc3cccnc3)C2)C(C)(C)CCC1 72151173 QMKTYLFQZRQSAF-FQEVSTJZSA-N 370.541 2.888 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)Cc1cnc(N2CCOCC2)s1 215601031 XXFDXUKSMGNDCP-UHFFFAOYSA-N 371.466 2.662 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc2c(s1)CCOC2 130659759 WNAFVPKZYYRPQW-AWEZNQCLSA-N 374.437 2.885 0 50 FFAA CC(=O)N1CCc2cc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)ccc21 236591526 CTVSXCSSAYEFFY-SFHVURJKSA-N 366.417 2.850 0 50 FFAA Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3COCCN3CC3CCC3)c12 496032137 HIXCGQVEEBSLIN-IBGZPJMESA-N 355.482 2.636 0 50 FFAA CCc1ncc(C(=O)N2CCC(=O)N(Cc3ccccc3)[C@@H](CC)C2)cn1 71748813 CXADLLHHIVSIGK-SFHVURJKSA-N 366.465 2.692 0 50 FFAA COc1cc(Cl)cc(CN(C)C2CCN(C)CC2)c1O[C@@H](C)C(=O)O 216274757 NMKLHEOLKVQEKO-LBPRGKRZSA-N 370.877 2.727 0 50 FFAA COc1cccc(C(=O)N(C)C)c1OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 177558339 SHQCMIGVHCKDPI-RDJZCZTQSA-N 374.481 2.957 0 50 FFAA Cc1cc(=O)n(CC(=O)N[C@@H]2COC3(CCCCC3)C2)c2ccccc12 426421829 KQQQSTHVEVPTRV-INIZCTEOSA-N 354.450 2.918 0 50 FFAA O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cnn(CCF)c1 288968540 XATARZHMTOXSOF-UHFFFAOYSA-N 350.781 2.651 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2nc(=NC)cc(C)[nH]2)cc1)c1cnn(C)c1 426534377 FDZNBPJQBOZMTL-QGZVFWFLSA-N 364.453 2.530 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCCCN3CCCc4ccccc43)C2)n1 426370914 HJWPOSYIMTZKNE-UHFFFAOYSA-N 367.497 2.909 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)c(=O)n1 426465322 VMLMGFHLUDKGAP-HNNXBMFYSA-N 359.857 2.920 0 50 FFAA COc1cc(OC)cc(S(=O)(=O)NC2(c3nccs3)CCCC2)c1 178418607 SBUKAYMMCGPSSX-UHFFFAOYSA-N 368.480 2.908 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 91441601 GFHPAGQLFLGSAC-KRWDZBQOSA-N 366.465 2.622 0 50 FFAA O=C([C@H]1CCOc2ccccc2C1)N1CCOc2ccc(CO)cc2C1 95498385 BSFAZDHNPMXAEH-KRWDZBQOSA-N 353.418 2.541 0 50 FFAA CN(C)[C@@H]1CCN(Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1 96131150 FBMMAFWWFCKQFC-GOSISDBHSA-N 365.481 2.917 0 50 FFAA COCCn1nc(C)c(NC(=O)c2cnnc(-c3ccccc3)c2)c1C 291867528 HCPOBQUPYVTGCS-UHFFFAOYSA-N 351.410 2.856 0 50 FFAA CCCn1ncc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1C 91650138 BYIMGDDGIYBOOK-UHFFFAOYSA-N 352.482 2.527 0 50 FFAA CN(Cc1ccon1)Cc1ccccc1OC[C@@H](O)CN1CCCCC1 95501553 VMCKPOSJALNTHH-IBGZPJMESA-N 359.470 2.532 0 50 FFAA CC(C)CN1CCc2nc[nH]c2C12CCN(c1cccc(C(=O)O)n1)CC2 91656472 UPSXABIBIDXZGI-UHFFFAOYSA-N 369.469 2.513 0 50 FFAA CCN1CCC(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 95363259 XGWOXMCCIQLLGI-MRXNPFEDSA-N 358.404 2.977 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)ccc1F 92038738 FBWWZWPSOWHLQP-HNNXBMFYSA-N 362.445 2.812 0 50 FFAA COc1c(C)cnc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)c1C 91440893 IDUASZFRPMNCJU-HNNXBMFYSA-N 359.470 2.504 0 50 FFAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1CCC[C@]2(CCCO2)CC1 95515444 PVYOEZCVIUIHGS-FQEVSTJZSA-N 374.506 2.995 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)cc1 95364051 RPGKFCJVZNPUAN-SFHVURJKSA-N 372.465 2.884 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)[C@H]1CCOc2ccccc2C1 97413360 GGMMPWGOHBASKM-HNNXBMFYSA-N 364.405 2.731 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]2CC[C@@H]1CN(C)C2 91625973 HLCUKQRMEXCTRC-MAUKXSAKSA-N 356.445 2.794 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 244873202 WLRFKLPEBSHBIK-OAHLLOKOSA-N 365.393 2.555 0 50 FFAA O=C(Nc1ccc(F)cc1F)[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 242774551 DTWUDKMVYVNXFD-NEPJUHHUSA-N 360.316 2.907 0 50 FFAA CC(C)(C)C(=O)[C@H]1[C@H]2[C@H]3CO[C@@H](O3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 252695090 UPJCBOWTRMHLOB-KCWUNFHDSA-N 353.418 2.568 0 50 FFAA biogenic Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@@H](C(=O)O)C3)c12 299742219 IXYSBAIUICLZOS-CYBMUJFWSA-N 351.362 2.745 0 50 FFAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299327522 AYEUTBUGBGOVDZ-PQPVHHHVSA-N 351.834 2.639 0 50 FFAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4ccc(C(=O)O)cc4)c(=O)n1c23 299738125 ACVGAHCBQGAXSM-JTQLQIEISA-N 364.357 2.775 0 50 FFAA COc1cc(C)c(-c2ccc(C(=O)NC[C@@]3(O)CCCNC3)cc2)cc1C 534576644 JZBHGWUZNRVAPG-JOCHJYFZSA-N 368.477 2.823 0 50 FFAA Cc1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c2c(C)noc2n1 266630965 HVQUIBQWKCESQB-UHFFFAOYSA-N 367.409 2.592 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)NCCN=c1cc[nH]cc1C 824517603 JAIRAFGCLYXCDR-UHFFFAOYSA-N 354.237 2.969 0 50 FFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCN(c2ncccn2)CC1 828152497 FKCNUDWBCDPZHL-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA Cc1nc(C)c(C(=O)NCC2CCN(C(=O)c3cccn3C3CC3)CC2)o1 825302651 WENMPOXSLPCHLZ-UHFFFAOYSA-N 370.453 2.710 0 50 FFAA Cc1cc(CC(=O)N2CCC(CNC(=O)c3sccc3C)CC2)on1 952968349 GMZHQSAXSDLOEC-UHFFFAOYSA-N 361.467 2.564 0 50 FFAA C[C@@H](C(=O)Nc1ccccc1NC(=O)CN(C)C)n1cnc2ccccc21 952860019 YKMBMCXMWADGMM-AWEZNQCLSA-N 365.437 2.736 0 50 FFAA CC(C)c1csc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)n1 1565530641 NIXOYIVSGVTWHB-HOCLYGCPSA-N 361.467 2.766 0 50 FFAA O=S(=O)(NC1CCCCC1)c1ccc(OC2CCOCC2)c(F)c1 186171131 VTGDEVPYQPLVEX-UHFFFAOYSA-N 357.447 2.995 0 50 FFAA Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)ns1 278386248 ZNCBAEXRMQDOBN-UHFFFAOYSA-N 373.434 2.671 0 50 FFAA COC(=O)C[C@@](C)(NC(=O)c1coc(Br)c1)c1ccccn1 170600767 OIIBWPJZQWZGRW-OAHLLOKOSA-N 367.199 2.645 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 193080197 DKNSUPUFTSIUQF-ZDUSSCGKSA-N 370.844 2.878 0 50 FFAA COC1CCN(S(=O)(=O)c2cc(-c3cc(C)[nH]n3)sc2C)CC1 1506403316 NRLPPSNSVMKNJB-UHFFFAOYSA-N 355.485 2.555 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)CC12CCOCC2 1800414348 OFRKQPLANHKBMJ-AWEZNQCLSA-N 359.344 2.898 0 50 FFAA CCc1ccc2nc(N3CCC4(CC3)OCC[C@@](C)(O)[C@@H]4O)cc(C)c2c1 1704304119 MYGXYMXUPOTWOB-LEWJYISDSA-N 370.493 2.977 0 50 FFAA COc1cccc2ccc(N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)nc12 1704297142 FBIYFRGVSNDJRW-UZLBHIALSA-N 355.438 2.619 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3ccc(O)nc3)CC1)OCC2 1704337641 CBYUJICSHQFVEP-UHFFFAOYSA-N 354.406 2.500 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc(C#CCCO)cc1)C2 219937011 CBUXCFAMLFIMJA-YADHBBJMSA-N 366.505 2.810 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCC(F)(F)F)C2 222446009 GXXFQBZYYCQVND-OLZOCXBDSA-N 373.375 2.583 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)o1 12053910 RYIRUSBJBJJRGL-UHFFFAOYSA-N 356.426 2.919 0 50 FFAA Cc1nnc(CNC(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)[nH]1 12758084 NUEBPLSEOHQNGC-INIZCTEOSA-N 364.405 2.680 0 50 FFAA COc1cccc(-c2ncc(CN3CCc4[nH]nc(C(=O)O)c4C3)s2)c1 1857674332 DKLLSTUAOSABCW-UHFFFAOYSA-N 370.434 2.798 0 50 FFAA NC(=O)c1cc(N2CCC[C@@H](c3nnc4ccccn34)C2)nc2ccccc12 1857679714 RGWWMKYPZKEDDR-CQSZACIVSA-N 372.432 2.760 0 50 FFAA Cc1nccn1CC[C@H](NC(=O)c1nc(Cl)n(C)n1)c1ccccc1 1857690840 NXRPYJRILXQMNV-AWEZNQCLSA-N 358.833 2.535 0 50 FFAA CC(C)NC(=O)c1cc2c(s1)C1(CCN(c3cnccn3)CC1)OCC2 1857704265 LCKITGKJTDKILT-UHFFFAOYSA-N 372.494 2.745 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3CCn4nccc4C3)c2)n1 1857734535 LMPCPKKMGAGBND-GOSISDBHSA-N 363.465 2.907 0 50 FFAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3ccc(F)cc3Cl)C[C@H]2CO1 1857740121 IWOZFNWJTBMNNM-KKUMJFAQSA-N 365.836 2.739 0 50 FFAA c1cc2c(cc1Nc1nc(N3CCCC3)nc(N3CCCC3)n1)OCO2 1177593 YAAKGZHPVRBISH-UHFFFAOYSA-N 354.414 2.544 0 50 FFAA C[C@H](c1ccccc1)N(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1 225582207 LDKHKYMXUSFYEX-QGZVFWFLSA-N 351.450 2.555 0 50 FFAA C[C@]1(C(=O)NCc2nnc3ccccn23)CC(c2ccccc2Cl)=NO1 225797971 HTSDJMKQUIOURV-GOSISDBHSA-N 369.812 2.582 0 50 FFAA COc1ccc(N2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4247713 CMDGXOSBMYYFSQ-YXSDIZSPSA-N 354.450 2.886 0 50 FFAA Cc1cc([C@@H]2CN(S(=O)(=O)c3cn(C(C)C)cn3)CCO2)ccc1F 122606715 GCHLTDFYELVGOV-INIZCTEOSA-N 367.446 2.674 0 50 FFAA CC(C)(C)[C@H]1CN(C(=O)c2cn([C@H]3CCCNC3)nn2)c2ccccc21 333604306 QXWAJZPPLBEIGM-HOCLYGCPSA-N 353.470 2.993 0 50 FFAA CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@H](CC(N)=O)C3)c2)cc1 151677463 FEEZZSDJMYXRIR-OAHLLOKOSA-N 366.465 2.542 0 50 FFAA CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(-c3csc(C)n3)cc2)CC1 267374132 FFODNHJJOFFLOP-ZDUSSCGKSA-N 373.478 2.577 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1O 1704315927 RPVIOEXSZDWSBS-BBRMVZONSA-N 359.344 2.783 0 50 FFAA CCC(=O)N1CCc2ccc(S(=O)(=O)N3CC(c4ccccc4)C3)cc21 907310158 FEQZERZBJROSJR-UHFFFAOYSA-N 370.474 2.774 0 50 FFAA CC(C)c1nc(C2CCN(C(=O)c3cccc4c3OCC(=O)N4)CC2)no1 952845519 LXTUHOOPBOTSLI-UHFFFAOYSA-N 370.409 2.544 0 50 FFAA C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cc(Cl)ccc1F 1875255115 YXIGZNTZEXJIQV-VIFPVBQESA-N 356.806 2.618 0 50 FFAA COc1ccc([C@H]2CCN(C(=O)c3ccnc(N4CC[C@@H](C)C4)c3)C2)cn1 1875265700 YEXLPAKRLKLRLG-QAPCUYQASA-N 366.465 2.961 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1oc(CC2CC2)nc1C 1875383102 GTRSRBLGRPSABW-VQIMIIECSA-N 365.433 2.634 0 50 FFAA C=CC(=O)NCCC(=O)N[C@H](C(C)C)[C@@H](O)c1cccc(C(F)(F)F)c1 1875365833 OLKFGYPJJOOFCF-SJORKVTESA-N 372.387 2.572 0 50 FFAA O=C(NC[C@@H](NC(=O)c1cocn1)C1CCCC1)c1coc(C2CCC2)n1 1875328263 IOQBXDUBPZIYNU-CQSZACIVSA-N 372.425 2.649 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NS(=O)(=O)CC(F)F)s1 1875355079 ZIEMJBUQMBVGSI-UHFFFAOYSA-N 361.391 2.748 0 50 FFAA COc1nc(C)cc(N2CC[C@]3(CCCC[C@@H]3NC(=O)[C@@H]3C[C@H]3C)C2)n1 1875408251 ROHCSPHPLSWRGH-BCEDRHLLSA-N 358.486 2.705 0 50 FFAA Cc1nccn1Cc1ccc(NC(=O)[C@]2(c3cnn(C)c3)CCCO2)cc1 2325765070 WVMNCUCIWXNSFM-HXUWFJFHSA-N 365.437 2.618 0 50 FFAA N[C@@H]1CCCN(C(=O)c2cnc(Sc3nc4ccccc4s3)cn2)C1 2325796585 ZRBSSWOESUIWMM-LLVKDONJSA-N 371.491 2.801 0 50 FFAA C=Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1 2325842761 HTWJVWWZYLJKDN-MRXNPFEDSA-N 352.438 2.821 0 50 FFAA CC(C)Cn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C 784775 ZIDICUPWHYCCDW-UHFFFAOYSA-N 362.817 2.535 0 50 FFAA CN(C)[C@H](CNC[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 245266085 IJMYRTHBCFPGLM-SXLOBPIMSA-N 358.482 2.927 0 50 FFAA O=C(COc1ccc(I)cc1)Nc1cccnc1 1050004 AUSPLYNJFMTAJJ-UHFFFAOYSA-N 354.147 2.704 0 50 FFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 3634772 IADXXKIIUFMARD-UHFFFAOYSA-N 366.414 2.530 0 50 FFAA Cc1ccc(F)c(NC(=O)CCC(=O)NCCCc2c(C)n[nH]c2C)c1 55358583 HEUWXEMATMLZHR-UHFFFAOYSA-N 360.433 2.942 0 50 FFAA Cc1ccc(Cl)cc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101230881 YMQGNNHNVWBHNS-YDHLFZDLSA-N 370.902 2.719 0 50 FFAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C[C@@H]1CCNC1)C2 67886488 IDHGMCGPJAVBDV-CYBMUJFWSA-N 359.857 2.912 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1Cl 248034797 UMHUZFLBOPQWFQ-NBLIUIFLSA-N 362.813 2.503 0 50 FFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 67973783 GYNIFYYFSNBCBL-SFHVURJKSA-N 372.444 2.651 0 50 FFAA Cc1cc(=O)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)co1 409413163 DVFMTCKIMVNZBK-INIZCTEOSA-N 367.405 2.577 0 50 FFAA O=C(NCCCc1ccccn1)c1ccc(N2CCC3(CCO3)CC2)nc1 67966784 FTDJWPNLHLKXAP-UHFFFAOYSA-N 366.465 2.599 0 50 FFAA CC(C)(C)c1ccc(C(=O)NCCNc2ccc(-n3cccn3)nn2)cc1 67603645 CLQRBCQHBJCNAX-UHFFFAOYSA-N 364.453 2.802 0 50 FFAA CCc1ccc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1773472 WLNDNRZBSMLSRA-UHFFFAOYSA-N 362.451 2.694 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CCC1=O 77565154 AYTZOKHCSIOOMR-OAQYLSRUSA-N 373.497 2.637 0 50 FFAA COc1cc(OC)c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1OC 6824257 DLWACQLZMYXQKL-LLVKDONJSA-N 359.378 2.932 0 50 FFAA CN(Cc1nc2cccc(F)c2[nH]1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328631723 KUHOAMRYSKANJW-VBKZILBWSA-N 370.476 2.950 0 50 FFAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2ccc4nnc(-c5ccccc5F)n4n2)[C@H]31 253418312 OEDPIDONVMRUAO-PRBXQXPUSA-N 365.412 2.790 0 50 FFAA COc1ccccc1N1CC[C@@H](N(C)Cc2ccc([S@](C)=O)cc2)C1=O 152014752 ZZFJWLKHTDWXFK-WXTAPIANSA-N 372.490 2.670 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 331749769 ZXHYLTDRPXDGRS-DLBZAZTESA-N 368.474 2.524 0 50 FFAA CCOc1ccccc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 32593826 FVNJSENLHLXDLL-LJQANCHMSA-N 354.450 2.889 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F 172845667 NIIWGAAWMBSFPS-GOEBONIOSA-N 354.360 2.965 0 50 FFAA Cc1noc(C2CCC(N[C@@H](c3nccn3C)C3CCOCC3)CC2)n1 366500716 NSMYUIYLYSVKLQ-OFLPRAFFSA-N 359.474 2.895 0 50 FFAA CC(=O)c1cccc(C(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1 77354954 AIELTTDRLISENM-UHFFFAOYSA-N 350.418 2.995 0 50 FFAA CCc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)c(=O)[nH]1 77407282 MMNCMTPKUKJMGP-GOSISDBHSA-N 369.465 2.946 0 50 FFAA CC[C@@](O)(C(=O)Nc1ccn(CCCOC)n1)c1cccc(Cl)c1 240744063 HUHSTLFMNYKOSE-KRWDZBQOSA-N 351.834 2.809 0 50 FFAA CC(C)NC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77516187 LSKYQQMSZHNUEQ-UHFFFAOYSA-N 370.840 2.879 0 50 FFAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)COc2ccc3c(c2)OCO3)C1 77377825 PYNNVRHYSKVAJX-INIZCTEOSA-N 367.401 2.916 0 50 FFAA O=C(O)c1cccnc1N1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 77470220 XLWRUKAWZFOVGY-HXUWFJFHSA-N 357.454 2.931 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1coc2ccccc12 223185870 NPGGZDWYGXQIQO-NVXWUHKLSA-N 358.419 2.993 0 50 FFAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCc2ccccc2)c1 241720859 QSWHHYJWDPWQHX-HNAYVOBHSA-N 351.450 2.873 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC(Cc2ccccc2)CC1 378411183 UKHRKBYTVFNBCH-TZIWHRDSSA-N 358.482 2.989 0 50 FFAA O=C(CCC(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1)N1CCOCC1 378494088 LBFNXFUNKWGMQX-MRXNPFEDSA-N 362.445 2.561 0 50 FFAA CN(C(=O)C1(NC(N)=O)CC1)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 132162866 VDZUKEIDCLXXLC-ZDUSSCGKSA-N 370.478 2.579 0 50 FFAA CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)C[C@H]1CCCCO1 175777589 HIGHVGPCBBVJSL-CQSZACIVSA-N 364.471 2.837 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)N(C)Cc3ccccc3)n2)cc1 44901018 UMAFHNXWKAXCRD-UHFFFAOYSA-N 363.417 2.578 0 50 FFAA Cn1c(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc2cc(C(F)(F)F)ccc21 177816731 HDXNDPBZKVEOFX-STQMWFEESA-N 367.371 2.971 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CC(=O)N(C)c2ccccc21 178188680 VKHWVFSYOUWXNY-UHFFFAOYSA-N 365.418 2.532 0 50 FFAA Cc1cccc(-c2noc([C@H](C)NC(=O)CN(C)Cc3cccnc3)n2)c1 222714017 SKMCHAKMUHBRPD-HNNXBMFYSA-N 365.437 2.749 0 50 FFAA O=C1C[C@@]2(CCN(c3nc(-c4ccccc4)nc4ccccc34)C2)C(=O)N1 82136937 DBKBRQCPIHVPCV-OAQYLSRUSA-N 358.401 2.540 0 50 FFAA CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 20602559 RZPOQUIYFBBMBS-UHFFFAOYSA-N 367.331 2.722 0 50 FFAA O=C(NCCCn1ccnn1)c1cc(-c2ccncc2)nc2ccccc12 95385972 PYDBQEKJSHZIGD-UHFFFAOYSA-N 358.405 2.708 0 50 FFAA COc1ccc2nc(CNC(=O)[C@@H](c3cccc(F)c3)N(C)C)[nH]c2c1 95374273 KIBHLKUISZMGSP-GOSISDBHSA-N 356.401 2.630 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(-n3cccn3)cc1)C2 91563062 VERRNUFUBYUVEO-QGZVFWFLSA-N 363.417 2.748 0 50 FFAA CN(CCNC(=O)c1cc(-c2ccccc2O)[nH]n1)CCc1ccccc1 95371072 IOTZXLXKCCGCRN-UHFFFAOYSA-N 364.449 2.687 0 50 FFAA Cc1[nH]c(=O)c(C(=O)NCc2csc(N3CCCC3)n2)c(C)c1Cl 97729814 VSVKFBAEIDTNHC-UHFFFAOYSA-N 366.874 2.632 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 95374799 QKDWBTYYMQOKLP-AWEZNQCLSA-N 357.454 2.926 0 50 FFAA CN1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)s1)CC2 91906498 CFEOGCFVLPOLLB-UHFFFAOYSA-N 368.510 2.841 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(=O)c3ccccc3o1)C2 96150465 QBDRWXPWQNXWAA-ZDUSSCGKSA-N 365.385 2.783 0 50 FFAA COc1ccc(OC)c(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c1 91645424 CFMXSLNDPSMKJO-FUHWJXTLSA-N 358.482 2.927 0 50 FFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCN[C@@H](c2ccccc2)C1 97527846 MAXBRGGNSSNZRV-CQSZACIVSA-N 358.804 2.914 0 50 FFAA COc1nccnc1N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91626314 OJHVZFFKCJXJEC-MRXNPFEDSA-N 350.426 2.509 0 50 FFAA COc1ccccc1CN(CCO)C(=O)[C@H](c1ccccc1C)N(C)C 95376447 NMDVXNRWNZTKLY-FQEVSTJZSA-N 356.466 2.627 0 50 FFAA CN(C)c1nccnc1N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95364242 OXFXYCKFABPGAC-CQSZACIVSA-N 369.498 2.628 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)OC1=O 243901750 BDOAFTBVNCMNRC-CALCHBBNSA-N 366.502 2.931 0 50 FFAA CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)C[C@H]1C(=O)O 248075743 YWRSJLVHZMSKLA-FQEVSTJZSA-N 354.450 2.509 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 245242161 FHTSGNCDNDFBKL-MJRVHVRYSA-N 364.445 2.684 0 50 FFAA O=C(O)C[C@H](NC(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 299343412 HMBVWJHADDDDHB-ZDUSSCGKSA-N 361.316 2.644 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]2C[C@@H](O)C2)cn1 252535702 GPOKPLMPUFAJBG-RVPKQNPDSA-N 366.339 2.750 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN1CCCN(C2CCCCC2)CC1 252510300 ZGLWNMIZBFNKOR-UHFFFAOYSA-N 372.513 2.924 0 50 FFAA COc1ccc2oc(CNC(=O)N(C)CCc3scnc3C)nc2c1 534646656 WVLJRGAIVIPCMQ-UHFFFAOYSA-N 360.439 2.985 0 50 FFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)N(C)Cc2cnn(C)c2C)n1 534591662 MTLIKLPUIRYEQA-CYBMUJFWSA-N 368.441 2.990 0 50 FFAA COCCn1cncc1CNC(=O)C1(c2ccc(OC)cc2)CCCC1 299757748 AXFVQFAVJTZDGD-UHFFFAOYSA-N 357.454 2.666 0 50 FFAA CCC[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1cccs1 584888296 FQKWWZIIXBKXRK-HNNXBMFYSA-N 361.515 2.850 0 50 FFAA C[C@@H](NC(=O)N1CCC(N2CCCC2)CC1)c1nc2ccccc2n1C 584891659 LTKXPVWZNQGFIH-OAHLLOKOSA-N 355.486 2.904 0 50 FFAA CCn1ccnc1CN(C)C(=O)NCCc1c[nH]c2ccc(OC)cc12 670455274 QSVODDYDKUSOFR-UHFFFAOYSA-N 355.442 2.777 0 50 FFAA C[C@H](NC(=O)Nc1csnc1-c1ccccc1)C(=O)NCC(F)(F)F 1331303879 PDSKBSTTYHYDFP-VIFPVBQESA-N 372.372 2.999 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)C[C@H](C)n2cccn2)c1 952863703 VWCKFVGCXIEOLR-NSHDSACASA-N 350.806 2.711 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2[nH]1 952976281 IAPLYMQWQKSKBC-NSHDSACASA-N 360.377 2.721 0 50 FFAA C[C@@]1(C(=O)NS(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1F 408500764 PHQLQQLSNLPTSS-LDYMZIIASA-N 370.627 2.656 0 50 FFAA Cc1cccc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1F 1565506106 UCHJYVPGAHSYSS-RXVVDRJESA-N 360.473 2.720 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 272531658 QVNFDPXIFREYBB-IEBWSBKVSA-N 359.514 2.566 0 50 FFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCC[C@@H]1CCO 170601406 CMADEFGWJNJSLR-CRAIPNDOSA-N 356.422 2.920 0 50 FFAA CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(Cl)cn2)C1 189727992 FZEKCMWUFLXCPT-KBPBESRZSA-N 366.893 2.990 0 50 FFAA CCn1cc(CN(C)C(=O)[C@@H](C)c2nnc(O)c3ccccc23)c(C)n1 1506414455 QCONCRYXQCVSBN-LBPRGKRZSA-N 353.426 2.622 0 50 FFAA O=C(NC[C@H]1CCCO1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 824950 SRHPCYJVKVELMI-HNMKQIAWSA-N 368.408 2.892 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCCN)C2)cc1 216829037 ZIQRJXGGNZFUIH-MOPGFXCFSA-N 357.498 2.612 0 50 FFAA CCc1ccc(-c2cn3c(C(=O)N4CCC[C@H]4C(N)=O)csc3n2)cc1 12299810 CQPQPIHZDUVRFV-HNNXBMFYSA-N 368.462 2.715 0 50 FFAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C)C1=O 14884978 CETAKOHBRYHCNC-IIBYNOLFSA-N 372.465 2.503 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CNCc3ccc(F)c(F)c3)C2=O)c1 14952834 NEIHBQKJTRVUPM-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2ccco2)cc1 14974092 NFUHRWFZFUAMIB-QGZVFWFLSA-N 356.422 2.737 0 50 FFAA CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 16606734 LAOJOUZXUXWRRU-UHFFFAOYSA-N 374.249 2.648 0 50 FFAA COC(=O)COc1ccccc1CN1CCC[C@@H]1c1ccc(C(N)=O)s1 19639508 YYOYUHQBGAETKQ-CQSZACIVSA-N 374.462 2.736 0 50 FFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccsc1 1857671899 VYXFAZFSWZCFOI-SQGPQFPESA-N 354.475 2.768 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@@H](CO)c1ccccc1)OCCO2 1857690143 BRZWKTRBBKIVRO-INIZCTEOSA-N 352.390 2.912 0 50 FFAA CC[C@]12COC(=O)N1CCN(c1ccnc(-c3ccc4c(c3)OCO4)c1)C2 1857701796 PGTKEOUFFVMUGU-FQEVSTJZSA-N 367.405 2.898 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1 1704338369 SRERGPMRMKKREV-NRFANRHFSA-N 351.450 2.843 0 50 FFAA Cc1c(C(=O)N(C)C[C@@H]2CCCN(C(=O)c3ccn(C)c3C)C2)ccn1C 871239705 IYGLJEGWLLZKLV-KRWDZBQOSA-N 370.497 2.605 0 50 FFAA Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3SCC[C@H]3C)CC2)n1 1875289082 RRHJQCZUCMTIJD-ZWNOBZJWSA-N 353.513 2.770 0 50 FFAA C=CC(=O)N(CCC(=O)NC1CCCC1)Cc1ccc2c(c1)CCOC2 1875385735 ACFSNHSRZQAQCT-UHFFFAOYSA-N 356.466 2.723 0 50 FFAA Cc1ncccc1C(=O)NC[C@@H]1CC2(CC2)CN1c1ncncc1Cl 1875335634 AMWWPXHDYVRVFV-ZDUSSCGKSA-N 357.845 2.622 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccn(C)c3)CC[C@H]2C1 1875407574 CUTXJUNPDMSFJW-WHEVEAIOSA-N 357.498 2.818 0 50 FFAA Cc1ccc2nc(-c3ccc(F)cc3)c(CN3CC[C@@H](NC(N)=O)C3)n2c1 892245668 YHMUMGFNOUMTKE-MRXNPFEDSA-N 367.428 2.691 0 50 FFAA CCOc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2OC)cc1 3624788 ZFULXTAMGYPNRP-INIZCTEOSA-N 373.405 2.805 0 50 FFAA CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1ccn2cnnc2c1 2325804839 VUEALFBYDDTHCG-LJQANCHMSA-N 363.465 2.856 0 50 FFAA COc1ccc(CN(C)C2=CC(=O)N(Cc3ccccc3)C2=O)cc1C 2325826313 YCOABFGGVIJACQ-UHFFFAOYSA-N 350.418 2.888 0 50 FFAA CC(=O)N[C@H]1CC[C@H](N=c2[nH]c3ccc(Br)cc3o2)CC1 2325868126 PKQQJOIYEHODBS-HAQNSBGRSA-N 352.232 2.871 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(Br)c(F)c2)CC1 2325888272 BJURQRZHMIIRSL-UHFFFAOYSA-N 355.207 2.951 0 50 FFAA Cc1nnc([C@@H]2CN(Cc3cnc(N(C)C)c4ccccc34)CCO2)o1 930264042 OIZVORZPGWTTAD-KRWDZBQOSA-N 353.426 2.566 0 50 FFAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 1075674 CCXVTTKVEZERRO-VIFPVBQESA-N 374.796 2.924 0 50 FFAA Cc1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1C 1134552 FKLXDRQRMUMGJZ-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA Cc1ccc(Cl)c(CN2CCC[C@@]23CCCN(CCO)C3=O)c1F 2356135416 DCKACTSCDBVPJJ-GOSISDBHSA-N 354.853 2.737 0 50 FFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCc4ccccc4CC3)cn12 2356143091 UWJJABRPSLVNOD-LJQANCHMSA-N 364.449 2.660 0 50 FFAA COc1c(F)cc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1F 2356150314 WTBREMHDDLARFS-IBGZPJMESA-N 364.392 2.733 0 50 FFAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NC[C@H]1CCCO1 4070873 IERCOWBWJQSXNM-OAHLLOKOSA-N 366.417 2.511 0 50 FFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)cn1 4993018 UIXHRUZRIMGBIX-UHFFFAOYSA-N 352.177 2.753 0 50 FFAA O=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 6495868 BQSGDGSTBFUOKK-UHFFFAOYSA-N 366.461 2.986 0 50 FFAA COc1ccccc1N1CCC(N[C@H](C(N)=O)c2ccc(F)cc2)CC1 171121545 MCSKCJXFLQXCGG-IBGZPJMESA-N 357.429 2.619 0 50 FFAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2snnc2C(C)C)C1=O 55225375 UMTNULCGSVHDJY-CYBMUJFWSA-N 361.423 2.519 0 50 FFAA CCCn1nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)ccc1=O 225612916 RSSVMIGTXZVHLX-MRVPVSSYSA-N 360.361 2.620 0 50 FFAA COc1ccc(C(=O)Nc2cnc3sc(C(C)C)nn3c2=O)cc1OC 9029232 LRSQKXHUZSZAOT-UHFFFAOYSA-N 374.422 2.544 0 50 FFAA COc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100729680 MLJFGEAJQYNJQU-OLZOCXBDSA-N 362.813 2.542 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1 20313981 TZLMXPKPMICLJT-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccnc3)C2)CC1 20999663 SYGJKURXQUNLAS-HXUWFJFHSA-N 366.509 2.877 0 50 FFAA CC[C@@H](CO)NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 67743719 VRCSWVKHPBHNPZ-NSHDSACASA-N 358.316 2.773 0 50 FFAA CCOc1ccccc1-c1nc(Cn2cnc(CCNC(C)=O)c2)c(C)o1 67921832 KOXFOKAKMQWBDD-UHFFFAOYSA-N 368.437 2.972 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(F)c1 252500287 SRICLJOHLSAOOY-AWEZNQCLSA-N 364.442 2.639 0 50 FFAA Cc1c(CN(C)C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1C 2780938 OZBPKLPACBGBPS-UHFFFAOYSA-N 363.771 2.564 0 50 FFAA CN(C)[C@H](CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1)c1ccco1 126638715 UXFBNRXQMMUAEA-WIYYLYMNSA-N 369.465 2.766 0 50 FFAA Cc1cc(C(=O)NCCS(=O)(=O)C(C)C)c2cc(Cl)ccc2n1 215396654 TVVPRIIXWCHRAH-UHFFFAOYSA-N 354.859 2.750 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)C1=O 151109732 WMTOIFFQFHYRNA-HNNXBMFYSA-N 360.360 2.817 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1[nH]cnc1-c1ccccc1 72146457 RHBRSRZWDOFGPO-GOSISDBHSA-N 374.444 2.650 0 50 FFAA COc1cc(C(=O)N2CCOc3ccc(CO)cc3C2)nc2ccccc12 219186387 GPHQQZUUIZFKDE-UHFFFAOYSA-N 364.401 2.771 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1=Cc2ccccc2CC1 157057901 JIJOCZBMQKFTOH-MRXNPFEDSA-N 358.467 2.582 0 50 FFAA Cc1nc(=O)c(CC(=O)N[C@@H](c2ccncc2)c2ccccc2C)c(C)[nH]1 215888141 BQVULIKTXLQTJX-FQEVSTJZSA-N 362.433 2.538 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77408359 ZLZUKFYKKYFWNE-MRXNPFEDSA-N 362.445 2.846 0 50 FFAA Cc1nc([C@@H]2CCN(C(=O)Nc3cc(C)n(C4CCCCC4)n3)C2)n[nH]1 333588392 AUYHDPXRYLAKAG-CQSZACIVSA-N 357.462 3.145 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)c1cccc(S(=O)(=O)CC)c1 240333424 FDDNQFCTFDLZDS-UHFFFAOYSA-N 366.527 2.818 0 50 FFAA C[C@@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1CCCNC1 237382045 HJUGHLXISQWFQH-JKSUJKDBSA-N 370.497 2.519 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2=O)cc1 77428045 JHHYGCCKEKGMGQ-UHFFFAOYSA-N 360.417 2.874 0 50 FFAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cc(S(N)(=O)=O)ccc1C 241586394 OVQWJJOQDRDUQD-UHFFFAOYSA-N 371.462 2.786 0 50 FFAA CSc1ccc(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cc1 215547528 YSFKGOAMGYGPAJ-IBGZPJMESA-N 371.506 2.536 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1CCCC[C@H]1CCO 378449037 FDMFPHCGPUVZGR-PMACEKPBSA-N 359.514 2.845 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](OC)CC1 378631997 JBTATLSZAZJXRF-AEFFLSMTSA-N 374.481 2.717 0 50 FFAA CCCCNC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77454891 WFINXTGTEVCIID-HXUWFJFHSA-N 358.486 2.796 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NC[C@H]2CCN(c3ccccc3C)C2)c1C 223559402 VQCCQADUTWBJTD-GOSISDBHSA-N 368.481 2.654 0 50 FFAA CCN(C)C1(CNC(=O)Nc2ccc(OC)c(C(N)=O)c2)CCCCC1 426582710 AMKPOAOYBZPHCF-UHFFFAOYSA-N 362.474 2.570 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc4occc(=O)c4c3)C2)no1 96130289 LTVOXGQQYLYXAX-GFCCVEGCSA-N 354.366 2.896 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc(-c2ccncc2)nc1 91849234 KREZDASZTOPTPV-UHFFFAOYSA-N 370.416 2.997 0 50 FFAA COc1cc(Cl)cc(CN2CCC(O)(Cn3ccnc3)CC2)c1OC 97681841 AKCSUQONNDZBRG-UHFFFAOYSA-N 365.861 2.581 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)c(O)c1 95374155 QSZJPFWSTNNKSX-SFHVURJKSA-N 364.445 2.979 0 50 FFAA Cc1cc(C)c(NC(=O)N[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)n1 95510295 HYHQXFCACDIKTA-KRWDZBQOSA-N 352.438 2.929 0 50 FFAA Cc1c(C(=O)Nc2n[nH]c3c2c(-c2ccccc2)nn3C)nnn1C(C)C 293975915 BBISUSCSPYMMBH-UHFFFAOYSA-N 364.413 2.697 0 50 FFAA CCn1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)n1 95513307 PYQKQWNJFRFPII-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA CCn1nc(C2CCOCC2)nc1-c1ccc(C)c(N2CCNC2=O)c1 96139472 ZUMNGEVXJVEONE-UHFFFAOYSA-N 355.442 2.697 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@@H](Cc2cccc(CO)c2)C1 91965894 KDIGEDKYQQKPAW-KRWDZBQOSA-N 367.493 2.805 0 50 FFAA Cc1ccc([C@H]2CN(c3ccc(C(N)=O)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95370741 STIZXZVVMVGQGT-HMXCVIKNSA-N 362.477 2.556 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 245242163 FHTSGNCDNDFBKL-QQPMLANJSA-N 364.445 2.684 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)COc3cccnc3)C2)cc1 244872950 WHKABKNWKUWALU-INIZCTEOSA-N 356.422 2.787 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)n2)cc1 182138964 RFRFYMSKEXVZMK-YJBOKZPZSA-N 362.437 2.653 0 50 FFAA Cc1ccc(CN(C)CC(=O)Nc2nnc([C@@H]3CCCO3)s2)s1 252481568 COFLAEPVGSLPLF-LBPRGKRZSA-N 352.485 2.830 0 50 FFAA Cc1csc(NC(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)n1 253394583 FGIYXDBLGLDEJG-CQSZACIVSA-N 372.450 2.538 0 50 FFAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OCCCN)c(Cl)c1 299774754 JAJXXLHCLQARIJ-FICVDOATSA-N 352.862 2.850 0 50 FFAA Cc1cc(C(=O)NCc2ccc3nsnc3c2)c2c(C)nn(C)c2n1 670463446 UWQKHTHZINCFKI-UHFFFAOYSA-N 352.423 2.520 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CN1Cc1ccc(F)cc1 55133967 OQXXMFYVYQFABG-MSOLQXFVSA-N 374.387 2.511 0 50 FFAA O=C1C[C@H](C(=O)NC2CCN(CCc3ccccc3)CC2)C2(CCCC2)O1 952868340 KTCNMULBVCDSQK-LJQANCHMSA-N 370.493 2.686 0 50 FFAA CO[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1)c1ccccc1 952983483 FSQFCWVNAVPKAI-LJQANCHMSA-N 355.438 2.821 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565515066 CHWYLDRESNIHOR-WBVHZDCISA-N 373.526 2.539 0 50 FFAA Cc1nc(C(=O)N(C[C@@H]2CCCN2)C2CC2)nn1-c1ccc(Cl)cc1 186488492 ZZPWKLLPVOCSPL-AWEZNQCLSA-N 359.861 2.586 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278849286 RKGKJBNCFMAPMG-SNVBAGLBSA-N 354.332 2.857 0 50 FFAA C[C@@H](Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(=O)O 191385901 XEBONTVRYXQPOO-ZFWWWQNUSA-N 370.405 2.530 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)nc1 192683349 AHZKLVOSUYJUFS-CYBMUJFWSA-N 350.296 2.752 0 50 FFAA CN([C@@H]1CCNC1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 193270649 KQTJXKWFTNZAKL-CQSZACIVSA-N 358.891 2.501 0 50 FFAA CCOc1ccc(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529181995 SIZOCUAAMASVIC-TZIWHRDSSA-N 355.434 2.589 0 50 FFAA Cc1ccc([C@H]2CN(CC(=O)NCc3ccccc3)C[C@@H]2N(C)C)cc1 216925679 KXXXATYPIORBLQ-RTWAWAEBSA-N 351.494 2.641 0 50 FFAA CCCCCCNC(=O)N1CCCN(C(=O)c2oc(C)nc2C)CC1 1800411874 QJCVTWDYUQDILO-UHFFFAOYSA-N 350.463 2.729 0 50 FFAA CC[C@H](NC(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 1800414914 YJPZSYLJFQGHCT-ZWKOTPCHSA-N 359.470 2.561 0 50 FFAA CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(F)cc1 5798535 FAQYJMYVBQKRFW-UHFFFAOYSA-N 356.426 2.987 0 50 FFAA Cc1cccc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 11838795 VPUZNJHITGHMPB-SFHVURJKSA-N 369.509 2.590 0 50 FFAA CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C(=O)c2ccccc2)nn1 12078436 PBSSFKBSEXBDOI-QGZVFWFLSA-N 369.469 2.501 0 50 FFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(c3ncccn3)C2)c1 12225165 OLOCTVRSHMEEOC-MRXNPFEDSA-N 354.454 2.798 0 50 FFAA CCn1nc(C)c(CNC(=O)c2cn(Cc3ccccc3Cl)nn2)c1C 12760379 FNBIAZOSLXVGRW-UHFFFAOYSA-N 372.860 2.743 0 50 FFAA Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 12865742 IYNWAJVIYZEBFF-UHFFFAOYSA-N 352.843 2.956 0 50 FFAA O=C1CN(CC2CC2)C[C@@H](OCc2ccccc2)CN1CC1CCOCC1 14539590 QKZULJUGKHIIJM-OAQYLSRUSA-N 372.509 2.553 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1OC 19210255 VIJOKMRDHVWYMR-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)COc2ccc(C(C)C)c(C)c2)CC1 19809511 HNFGATSHMPMWCN-KRWDZBQOSA-N 364.486 2.632 0 50 FFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(CN3CCCCC3)s1)C2 1857668805 JYGXUCQLTQZAMV-QFBILLFUSA-N 350.528 2.565 0 50 FFAA C[C@@]1(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC12CCNCC2 1857704468 SRLFDUHJNURWLO-SFHVURJKSA-N 374.872 2.829 0 50 FFAA C[C@H]1CN2C[C@@H](NC(=O)CCCCc3nc4ccccc4s3)C[C@H]2CO1 1857706470 UNDMBSWOJWXBFX-JYJNAYRXSA-N 373.522 2.987 0 50 FFAA O=C(CCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1)c1ccccc1 212508409 OVZXLIBCDDDDOT-MOPGFXCFSA-N 368.477 2.899 0 50 FFAA CCc1c(C)nc(-c2cccc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2)[nH]c1=O 104479422 LUDVEKZIHQNXPM-PIIMJCKOSA-N 353.466 2.795 0 50 FFAA CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12 4015524 VGLOFWHLPMVSBF-RQMSYUQLSA-N 370.401 2.955 0 50 FFAA in-vitro C[C@H](OCC(F)(F)F)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 237561619 CGRPTVROMWADMH-LBPRGKRZSA-N 359.344 2.599 0 50 FFAA CCc1cnc(C)nc1N1C[C@H](c2cccc(OC)c2OC)[C@@H](C(=O)O)C1 247968369 RGAAKOZRRJLNOY-CVEARBPZSA-N 371.437 2.669 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 150979029 RNRJXYXEXBPYPC-OAHLLOKOSA-N 367.478 2.820 0 50 FFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 373752156 MXYKOFZRFBPAES-QGZVFWFLSA-N 370.497 2.827 0 50 FFAA COc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)cc1F 952851701 RWSKVABCNWLHGT-LIRRHRJNSA-N 359.401 2.649 0 50 FFAA COCc1cc(C2CN(C[C@@H](O)Cc3ccc4ccccc4c3)C2)no1 952852695 JALGSHZRLCXMEU-IBGZPJMESA-N 352.434 2.977 0 50 FFAA Cc1oc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)cc1CO 952848032 FSKXIOKKXLHGAJ-CABCVRRESA-N 358.442 2.588 0 50 FFAA NC(=O)c1ccc(CC(=O)N2CCCc3c2cccc3C(F)(F)F)cn1 875799392 KPPBBYJKGVXQGV-UHFFFAOYSA-N 363.339 2.721 0 50 FFAA O=C(NC[C@]1(O)CCCc2ccccc21)Nc1c[nH]nc1-c1nccs1 1875265221 TXPOIJPXYUVHNO-GOSISDBHSA-N 369.450 2.879 0 50 FFAA COc1ccc(C2CCN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)CC2)nc1 1875395057 ISCNEPGWOMLRAI-QWHCGFSZSA-N 370.453 2.855 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cnn3ncccc23)C(F)(F)F)cc1F 888092632 MBFSYRMBMAUKGU-CQSZACIVSA-N 368.290 2.910 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)ccc1F 2776372 LEHXECKMZFAVRU-LBPRGKRZSA-N 357.179 2.731 0 50 FFAA O=C(c1cccc2c1COC2)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 2100556457 AFXAGBGEWLORSY-VGOFRKELSA-N 374.440 2.941 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CNC4(CCOCC4)C3)cc2)c1C 2325795327 AAUAZZNOCBCZKR-INIZCTEOSA-N 354.454 2.586 0 50 FFAA CCN(Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H](C)c1nn[nH]n1 2325811602 CXMHMBMQOXWOSM-VIFPVBQESA-N 354.245 2.780 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1N 2325826733 KTBJNIPSSLKAIG-CYBMUJFWSA-N 371.403 2.888 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)CCc3ccsc3)C2)n[nH]1 2325843066 SCXJJZVKEGWGAG-AWEZNQCLSA-N 360.483 2.558 0 50 FFAA Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cnn(C)c4C)C(=S)N23)cc1 20606393 XCAROMLUNNSIAQ-HOCLYGCPSA-N 358.492 2.785 0 50 FFAA NC(=O)C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 7375578 JQQDIPXBWUDLEI-UHFFFAOYSA-N 350.484 2.620 0 50 FFAA NC(=O)c1cccnc1N1CCN(Cc2cc3ccccc3s2)CC1 133142638 AKXHCEIWFBMJLT-UHFFFAOYSA-N 352.463 2.717 0 50 FFAA COc1nc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc2ccccc12 110951633 MEMBJSWIQZJYJW-KRWDZBQOSA-N 369.465 2.570 0 50 FFAA COC(=O)[C@H](c1ccsc1)N1CCCN(C(=O)c2cccs2)CC1 225718347 RNGVSTYPQXKADP-HNNXBMFYSA-N 364.492 2.872 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 116216564 CZZZKICVSLQZKM-HZPDHXFCSA-N 359.514 2.879 0 50 FFAA Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cnc2ccccn2c1=O 56438429 HPWNAOREHKKOJB-HNNXBMFYSA-N 351.406 2.509 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N[C@H](C)c3nc(CC(C)C)no3)nn2c1 216514079 NLUAIKMKASKDNC-SNVBAGLBSA-N 362.821 2.764 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@]3(C)C[C@H]4CC[C@H]3O4)C2)c1 249475066 JILLLGLYCMHPBB-IHLUGKFPSA-N 374.481 2.604 0 50 FFAA COCc1nnc(NC(=O)CN(C)[C@@H](C)c2cc3ccccc3[nH]2)s1 67603781 AYONFWOZJBIYEQ-NSHDSACASA-N 359.455 2.797 0 50 FFAA Cn1ccnc1-c1ccc(N2CCC([C@@H](O)Cc3ccccc3)CC2)nn1 67726801 FVUCGJMEZYGDGC-IBGZPJMESA-N 363.465 2.697 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC([C@@H](O)c2ccccn2)CC1 215993694 GVMGSEMTCMJSFK-LJQANCHMSA-N 360.841 2.955 0 50 FFAA C[C@H](N)C(=O)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67895747 QNLMELVPTNEIPY-HNNXBMFYSA-N 360.461 2.822 0 50 FFAA Cc1ccc(-c2cc(CN3CC4(CCNCC4)C[C@H]3C(=O)O)on2)cc1 72169503 KXCUKNRZDRRATI-SFHVURJKSA-N 355.438 2.679 0 50 FFAA O=C(CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)NCc1ccco1 67947600 COUKSVMKHXKBSA-UHFFFAOYSA-N 370.840 2.998 0 50 FFAA Cc1ccn(Cc2nnc(SCC(=O)c3ccc(F)cc3F)o2)n1 2806646 GXTKJRFHVOXGMT-UHFFFAOYSA-N 350.350 2.876 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3sc4ccccc4c3C)CC2)[nH]n1 151211459 ACIAIQICUJCOMN-UHFFFAOYSA-N 368.462 2.839 0 50 FFAA NC(=O)c1cccc(CNc2nn3cc(-c4cccnc4)nc3s2)c1 302096391 ODUSGFYGBZMRJA-UHFFFAOYSA-N 350.407 2.564 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 215167251 HNLVVEFCCFKKBK-UHFFFAOYSA-N 357.841 2.706 0 50 FFAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)c1ccc2c3c([nH]c2c1)CCCC3 72474316 GUPUXPFFPWGDHD-SFHVURJKSA-N 364.405 2.594 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 72169593 WDQWIUZZLODHTF-UHFFFAOYSA-N 369.252 2.825 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)c1 72125680 KTPDHULMYJOTDA-ZDUSSCGKSA-N 369.437 2.732 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)[C@H]3Cc4cc(C)ccc4N3)CC2=O)c1 72478983 AKTADRUBNXVVNH-HXUWFJFHSA-N 363.461 2.824 0 50 FFAA CCCc1nc(N2CCC[C@@H](OCc3ccccn3)C2)c2cnn(C)c2n1 72148029 OWJRKYLWVFONTP-MRXNPFEDSA-N 366.469 2.896 0 50 FFAA CN(Cc1ccsc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCCO1)C2 72162222 SXQDDXXTMSFQGE-IBGZPJMESA-N 360.527 2.961 0 50 FFAA COc1cc(OC)cc([C@]2(F)CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)c1 368479397 SXUBKFZHMSKUPF-RBZFPXEDSA-N 373.428 2.629 0 50 FFAA CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(N(C)C)c3ccccc23)CC1 72149657 HJZODSPYGPAHJR-QFIPXVFZSA-N 369.509 2.825 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1 238137608 NRVAPUVVNVGZRQ-ZDUSSCGKSA-N 351.362 2.679 0 50 FFAA COC[C@@H](NS(=O)(=O)c1sccc1Br)c1ccco1 175355954 BYEWDIRWZWVYIT-SECBINFHSA-N 366.258 2.770 0 50 FFAA O=C(Nc1ccc(F)cc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72437621 LWBLCSLTHSDCIO-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 263205107 ZAWKBQIDLVBQEO-TUVASFSCSA-N 371.355 2.900 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1)N1CC2(CCC2)[C@@H]1C1CCOCC1 333333749 DCUMLGULJZTEHY-MJGOQNOKSA-N 356.466 2.981 0 50 FFAA C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccc(OCC(=O)O)cc1 263147588 UQDPENAOCZBENP-BBRMVZONSA-N 355.390 2.579 0 50 FFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@]2(CCCOC2)C1 286521983 XNRLGEZOECPKFP-GOSISDBHSA-N 353.846 2.905 0 50 FFAA COc1ccc(Cl)cc1C(=O)NCc1csc(N2CCOCC2)n1 223878013 GRLOAHCKPTZRIX-UHFFFAOYSA-N 367.858 2.572 0 50 FFAA CCc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1 82160412 OYDDELUVSLMCPW-UHFFFAOYSA-N 355.486 2.623 0 50 FFAA O=C(c1cncc(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1)N1CCCCC1 222339281 STLSKEKZYUMJJC-MRXNPFEDSA-N 364.449 2.698 0 50 FFAA CC(C)(CC1CCOCC1)C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 132624262 HVQKRALJTWVNGZ-KRWDZBQOSA-N 360.454 2.723 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NCc2c[nH]nc2-c2ccccc2)no1 426434838 KZGWIJHAMUGGGS-UHFFFAOYSA-N 368.441 3.000 0 50 FFAA C[C@@]1(C(=O)O)CCCN1C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 263500060 YTAFHSDUXHQGNY-FQEVSTJZSA-N 352.390 2.763 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nn1 48356889 PSGKBRLGVGMEKT-UHFFFAOYSA-N 370.453 2.824 0 50 FFAA CN(C)Cc1cccc(CNC(=O)N2CC(Oc3ccccc3F)C2)c1 426547487 AHDZRASZCAAPLI-UHFFFAOYSA-N 357.429 2.860 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2 426562866 JJPPYQBCBFWCBP-OCCSQVGLSA-N 374.872 2.592 0 50 FFAA COc1ccc2cc(C(=O)[C@@H]3CCCN(CCNC(C)=O)C3)ccc2c1 91390663 ABSIREVAALADHI-LJQANCHMSA-N 354.450 2.879 0 50 FFAA Cc1nccn1[C@@H](C)C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91270069 PRBDUUXRAVIUHW-INIZCTEOSA-N 372.513 2.926 0 50 FFAA CN(CCC(C)(C)O)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91746770 MDRMJCQTSBMMMK-OAHLLOKOSA-N 366.889 2.698 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)[nH]2)cc1 91468603 ZDNODYYPRMBKEW-KKSFZXQISA-N 367.449 2.513 0 50 FFAA O=C(Nc1cccc2c1CCCC2)N1CCC(O)(Cn2ccnc2)CC1 95497028 BVIWJXRFBYKCAO-UHFFFAOYSA-N 354.454 2.821 0 50 FFAA CN(Cc1ccccc1)C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O 91663587 KKINHIJBBYNTIL-UHFFFAOYSA-N 367.380 2.760 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)COCCOC)CC2)C1 91691631 ABKJSQGSEOMZII-HXUWFJFHSA-N 374.525 2.768 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)CCC1CCOCC1 238139059 SWARPOBWPUNTLP-UHFFFAOYSA-N 355.381 2.975 0 50 FFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)c3cccc(=O)[nH]3)CC2)c1 95505295 DLXANRDIJDLIDV-UHFFFAOYSA-N 367.449 2.954 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)[C@@H](c1cccnc1)N1CCCC1 95503320 VBWSBQNLRURNKC-HXUWFJFHSA-N 351.450 2.860 0 50 FFAA O=C(C1CCC1)N1CC[C@]2(O)CCN(Cc3cccc(F)c3F)C[C@@H]2C1 95358272 AHZIELNBTCHJLW-OXQOHEQNSA-N 364.436 2.550 0 50 FFAA Cc1c(F)cccc1CN1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 91915140 GXIHKMXVAQZUQZ-QGZVFWFLSA-N 368.460 2.887 0 50 FFAA Cc1ccc(NC(=O)c2nnc(CN3CC[C@H](N4CCCC4)C3)s2)cc1 182428478 DGYPRKHDBAGRNK-INIZCTEOSA-N 371.510 2.769 0 50 FFAA COc1ccc2c(CN3CCC[C@H](c4cc(=O)[nH]cn4)C3)cn(C)c2c1 32558343 BIYHTJLYTBAQMR-AWEZNQCLSA-N 352.438 2.650 0 50 FFAA CC(C)N1CCC(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 469249581 VWGMSZLVWOAQHY-HNNXBMFYSA-N 363.889 2.682 0 50 FFAA COc1c(I)cc(Br)cc1C(=O)O 40564732 KEQKAEQOVTURLS-UHFFFAOYSA-N 356.941 2.761 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)OC1=O 299801467 YZMJWDVFRWEMBF-GOSISDBHSA-N 355.398 2.525 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(N2CCCC2)cc1 299767355 GGBCJAPWPLHVOP-FQEVSTJZSA-N 357.498 2.660 0 50 FFAA CCc1ncc(S(=O)(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)[nH]1 670451601 WLXWINUCFBUYAC-MRXNPFEDSA-N 361.471 2.832 0 50 FFAA CCNc1nc(C)c(C(=O)NCCc2nc(O)c3ccccc3n2)s1 952985285 GCQFIHJASJMAAH-UHFFFAOYSA-N 357.439 2.505 0 50 FFAA Cc1nc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c2ccccn12 1565514777 FRTSBLXCJZLNFV-APWZRJJASA-N 365.433 2.722 0 50 FFAA CCc1csc([C@H]2CCCN(C(=O)c3c[nH]nc3[C@H]3CCOC3)C2)n1 275453329 GXBFUYUJUVFNNL-STQMWFEESA-N 360.483 2.952 0 50 FFAA CCC1(CC)CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 170600923 NUEWAESGGHNOBV-FOIQADDNSA-N 363.502 2.916 0 50 FFAA COc1ccc(S(=O)(=O)NCC2(c3ccccn3)CC2)c(C)c1F 170603581 YKTDOUHWUCZKDL-UHFFFAOYSA-N 350.415 2.548 0 50 FFAA CN(C)c1nc2sc(C(=O)N3CCCC[C@@H]3C3OCCO3)cc2s1 170620429 DKNJTDAVZHUESX-SNVBAGLBSA-N 367.496 2.791 0 50 FFAA NC(=O)CCn1ccc(NC(=O)CCCc2cccc(C(F)(F)F)c2)n1 185929547 CSJVLDGNTGIUNE-UHFFFAOYSA-N 368.359 2.739 0 50 FFAA O=C(NCC1CCN(CC(F)(F)F)CC1)N[C@@H]1COc2ccccc21 188094460 RLWZGXITIKSUGD-CQSZACIVSA-N 357.376 2.694 0 50 FFAA Cn1cc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c2cc(F)ccc21 797748687 QWKDKHVCSIAWTF-HNAYVOBHSA-N 356.397 2.532 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O 1149810 NDLIBYOBGBWIGY-MDWZMJQESA-N 365.407 2.692 0 50 FFAA CCOCC(=O)N1CC[C@H]2[C@@H](C1)CN2Cc1cccc(C(F)(F)F)c1 1775981066 HSCACXIQOLELDR-HOCLYGCPSA-N 356.388 2.775 0 50 FFAA Cc1ccc2occ(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(=O)c2c1 5010362 ZGUGMCGJBLPSIU-CVEARBPZSA-N 362.429 2.882 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 5399280 JJSRLIICLOHJMA-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CSCCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11878478 FZUAJXAFQORVOD-ZDUSSCGKSA-N 374.428 2.923 0 50 FFAA CCCC[C@@H]1CN(CCC(=O)NCC(C)(C)CO)Cc2ccccc2O1 12191719 LVHOOQNOJCRSMG-GOSISDBHSA-N 362.514 2.965 0 50 FFAA CN(C(=O)CCc1cnccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 14970477 QPNGAOJVOGYWBZ-GOSISDBHSA-N 356.445 2.671 0 50 FFAA O=S(=O)(CCCc1nc(-c2cc[nH]n2)no1)c1ccc(Cl)cc1 1857531530 MOOKXAXAVSEJPE-UHFFFAOYSA-N 352.803 2.520 0 50 FFAA Cc1cccc2nc(C(=O)N3CCN(c4ccc(F)cn4)[C@@H](C)C3)cn12 1857672598 HICGBZYJOADVQV-AWEZNQCLSA-N 353.401 2.528 0 50 FFAA Cc1nc(C)c(C(=O)N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)s1 1857685500 LHZYNYNCAWKIFQ-LJQANCHMSA-N 371.462 2.649 0 50 FFAA c1cncc([C@@H](Cn2ccnc2-c2cccc3ccnn23)N2CCOCC2)c1 1857723087 WKBVURZGXCJCIN-HXUWFJFHSA-N 374.448 2.666 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3ccccn3)[C@H]3CC[C@]2(C1)O3 1857726793 CNUBHESCGUPWCY-GMLUQMLDSA-N 355.482 2.647 0 50 FFAA CCC(CC)C(=O)NC[C@H]1[C@H]2CN(Cc3cccc(C)n3)C[C@]23CC[C@H]1O3 1857736793 WEVAYKYWUYSZEX-GPQLQYNLSA-N 371.525 2.922 0 50 FFAA CC(=O)N[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1c1ccc(C)cc1 219608189 QBSWHRGCQJYYBK-UXHICEINSA-N 366.461 2.870 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)OCc1ccccc1 709898438 HOEBDXRQIFIFJA-MSOLQXFVSA-N 354.454 2.951 0 50 FFAA C[C@H](C(=O)N1CCO[C@@H](c2ncon2)C1)c1ccc(Br)cc1 332411628 ROPWQPDWVDLGSF-GXFFZTMASA-N 366.215 2.536 0 50 FFAA O=C(c1cccc(CO)c1)N1CCCN(CCCc2ccccc2)CC1 242048133 VTBVOUPRWBFQSP-UHFFFAOYSA-N 352.478 2.960 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCN(C(C)C)C2=O)nc(-c2ccc(Cl)cc2)n1 151581538 IFAHVBXSTUCUCV-HNNXBMFYSA-N 372.856 2.845 0 50 FFAA O=C(NCc1ccc(COC2CCOCC2)cc1)[C@@H]1CCCc2[nH]ncc21 161562961 ZRHCUDBRYKDPBB-GOSISDBHSA-N 369.465 2.842 0 50 FFAA C[C@@H]1CN(c2ccccc2CNCc2cccc3c2OCCO3)CCO1 838892883 XQGBLGHFLHAALJ-MRXNPFEDSA-N 354.450 2.973 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCN(C)C(C)(C)CC3)n2)cc1 1875269612 AGLSMQWKNWAMCT-UHFFFAOYSA-N 356.470 2.920 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(N4CCCC4(C)C)CC3)n[nH]c21 1875296051 XEADAQMBQPQTHS-KGLIPLIRSA-N 360.502 2.911 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(OCc3ccccc3F)CC2)CC1 1875363771 GIYYONGJTRAKSA-UHFFFAOYSA-N 374.456 2.758 0 50 FFAA C=CC(=O)NC1(CNC(=O)[C@@H]2Cc3ccccc3CO2)CCCCCC1 1875386267 MBKASKAWKKGHMK-SFHVURJKSA-N 356.466 2.639 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)Cc2ccc3c(c2)COC3)c(F)c1 1875386503 SACCQIJHIHBYIM-UHFFFAOYSA-N 368.408 2.517 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2c(C)nn(CC)c2C)cc1 1875373479 CDEDMYRBGDMEMG-UHFFFAOYSA-N 354.454 2.941 0 50 FFAA CC(=O)N1C[C@H](NCc2cn3cc(C)ccc3n2)CC[C@@H]1C(F)(F)F 886038329 YGTYZWGHGSDFDV-UKRRQHHQSA-N 354.376 2.674 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3cc(C)c4ncccc4c3)C2)n1 888076278 SQUDGWLZZYHWNV-HXUWFJFHSA-N 352.438 2.804 0 50 FFAA O=C(c1ccc2cc[nH]c2n1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 2100542854 JDRGUIGKRQDQDE-OXQOHEQNSA-N 372.428 2.787 0 50 FFAA CN(C)C(=O)c1ccc(N2CCC[C@@H]2COc2ccc(Cl)cc2)nn1 840242359 SQVSYMPUJXGHNU-CQSZACIVSA-N 360.845 2.880 0 50 FFAA O=C(C[C@@H]1CCC(F)(F)C1)NCCc1ccc(N2CCNCC2)cc1 2325795428 FIMYSFLGIOEXJR-INIZCTEOSA-N 351.441 2.580 0 50 FFAA CC(C)(C)[C@@H](C(=O)NCCCn1cnc2ccccc21)N1CCCC1=O 2325813151 QAIBSDUDORRZJQ-GOSISDBHSA-N 356.470 2.580 0 50 FFAA CCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2Cl)n1 4742328 PPUGWFPIMXQHGE-UHFFFAOYSA-N 374.871 2.844 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1Cl 4811305 RFVFQKCJMRGWBN-UHFFFAOYSA-N 352.799 2.894 0 50 FFAA CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 111191055 KLXZZZQFFWUXCZ-FQEVSTJZSA-N 351.450 2.749 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(-n2nnnc2C)c1 133413805 GLWDIOXSQREQNQ-UHFFFAOYSA-N 371.404 2.988 0 50 FFAA Cc1cc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)no1 101279770 WJLRYFFGIIVKOX-WRFANHODSA-N 363.373 2.547 0 50 FFAA OCC[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1 20448944 KLJBEJXQBJEMRW-MRXNPFEDSA-N 356.495 2.693 0 50 FFAA O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cnc2n1CCCC2 67723210 JBAKBAQWPSZCBM-UHFFFAOYSA-N 370.438 2.785 0 50 FFAA O=c1cc(-c2ccc(F)cc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 54274414 XEDYKRWAZIPSCT-UHFFFAOYSA-N 364.424 2.898 0 50 FFAA CCc1nc(-c2nc3c([nH]2)C[C@H](c2ccc(Cl)cc2)CNC3=O)no1 67713360 HMMXVKUPUPIWJQ-JTQLQIEISA-N 357.801 2.745 0 50 FFAA CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 67339146 WYGIXZLUUHIFMM-UHFFFAOYSA-N 352.843 2.915 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCc3[nH]nc(C4CCC4)c3C2)c1C 67650161 PPRFMZPAQOMIKB-UHFFFAOYSA-N 356.474 2.507 0 50 FFAA CC[C@@H](NC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1cc(C)ccn1 67843215 KEWOXEBSLUIDST-MRXNPFEDSA-N 351.406 2.925 0 50 FFAA CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 118880897 PLIHDHUHCPCWNV-QGZVFWFLSA-N 365.433 2.834 0 50 FFAA Cc1csc2c(NCc3cccnc3N3CCC[C@H](O)C3)ncnc12 67561114 JSEMUTRCXROUIS-AWEZNQCLSA-N 355.467 2.968 0 50 FFAA Cc1cccc2[nH]c(CN(C)Cc3cnc(NC[C@H]4CCCO4)nc3)nc12 214967737 LRIKLAMUQNWRNK-MRXNPFEDSA-N 366.469 2.884 0 50 FFAA COc1ccc(CN(C)Cc2n[nH]c3c2CCCC3)cc1Cn1cncn1 216369975 MGZNLZUIVNMFJS-UHFFFAOYSA-N 366.469 2.569 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN1CCCCCC1 11951002 RZCCGPLSFVOOHZ-IBGZPJMESA-N 352.425 2.694 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2OC2CC2)CC1 253431902 YCMBQGIJQNMFLD-UHFFFAOYSA-N 372.490 2.734 0 50 FFAA CN1C[C@@]2(CCCN(c3nc(-c4ccccc4)ccc3C(=O)O)C2)OC1=O 72407850 GWUDTPHUMYJEHC-HXUWFJFHSA-N 367.405 2.868 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCO[C@@H]2C(C)C)[C@H](C)S(C)(=O)=O)cc1 331235432 LIEOBYPXRAWTAN-DZOHQFGASA-N 367.511 2.647 0 50 FFAA CS(=O)(=O)c1cnc(NC2CCCCCCC2)nc1[C@@H]1CCCNC1 72408353 MLZDPMAFWLCLPY-CQSZACIVSA-N 366.531 2.872 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2=O)cc1 77394325 YZQNJYDLZNVLLN-KRWDZBQOSA-N 368.481 2.747 0 50 FFAA COCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 71712020 DVGAFFSKPWOXIS-GOSISDBHSA-N 351.878 2.586 0 50 FFAA COCCO[C@H]1[C@H](NC(=O)CC(C)C)c2ccccc2C12CCNCC2 72147803 YNWWVHBMXDLSRN-UXHICEINSA-N 360.498 2.556 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72172996 MPCNWMYZAMOWAY-IBGZPJMESA-N 353.466 2.536 0 50 FFAA COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@H](C)N)C1 237114234 NHSIMNZVWMJRDP-RYUDHWBXSA-N 355.276 2.586 0 50 FFAA CC[C@@H]1C[C@@H](CC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)CCO1 333756219 OHEADEVPWWOCKO-RCCFBDPRSA-N 350.503 2.879 0 50 FFAA CN(CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCSC1 241884850 SYHVNWRHBHYFLL-CVEARBPZSA-N 367.584 2.514 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1cn(-c2ccccc2)nn1 216436524 JUJUWMSBIRHCNR-UHFFFAOYSA-N 352.442 2.934 0 50 FFAA O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CC(Cc2ccccc2)C1 378501732 WNVZXCZTSNWKAU-JOCHJYFZSA-N 364.489 2.886 0 50 FFAA C[C@@](CNC(=O)c1cccc([C@H]2CCOC2)c1)(C(=O)O)c1ccccc1 263303822 DTZVROCBANKHOD-UWJYYQICSA-N 353.418 2.963 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 48015559 FCBLNWDUZQPTKQ-UHFFFAOYSA-N 372.513 2.509 0 50 FFAA Cc1ccn2c(C(=O)N3CCC[C@H](COc4ccccc4F)C3)nnc2n1 426633887 LNIMWPPEFZMNIH-AWEZNQCLSA-N 369.400 2.503 0 50 FFAA O=C1CCCCN1CCNC(=O)N(Cc1cccnc1)C1CCCCC1 426563141 KVOQRRVMOICFGS-UHFFFAOYSA-N 358.486 2.938 0 50 FFAA Cn1cc([C@@H](NC(=O)C2(N3CCCCC3)CCCCC2)C2CC(O)C2)cn1 223958116 WHBFENSYPGSYEE-KVZIAJEVSA-N 374.529 2.537 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N1CCN(C)C(=O)[C@H]1C 426477720 KJPRJTYTHLUURD-GFCCVEGCSA-N 362.861 2.544 0 50 FFAA CCc1cnc(C)nc1N1CCC(NCC2(Cn3cccn3)CC2)CC1 96139260 CALOWXOVKBBBNJ-UHFFFAOYSA-N 354.502 2.583 0 50 FFAA C[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)N1CCc2ccccc2C1 95386411 PWHWALCGGIMPSR-GOSISDBHSA-N 364.489 2.943 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1noc(-c3ccccc3)n1)CC2 91548363 LOHMDSZKTXOBDU-UHFFFAOYSA-N 370.453 2.592 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ncoc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95370376 HBABOSADPGELEW-DFQSSKMNSA-N 367.449 2.694 0 50 FFAA CN1CCN([C@H]2CCN(C/C=C/c3ccccc3)C[C@H]2CCC(=O)O)CC1 95391825 ZATILMZSFGHIRU-OCXKFJFWSA-N 371.525 2.503 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(Cl)cc3OC)C[C@@H]2N)c1 91747085 VQEVMEDJHSOLKQ-SJORKVTESA-N 360.841 2.924 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 239358444 NIBHEJHGWJBWBW-HBFSDRIKSA-N 361.482 2.717 0 50 FFAA COc1ccc(N2C[C@H](c3nc(-c4cccnn4)no3)CC2=O)cc1Cl 95526766 ZPMVTVUQLQLFPN-SNVBAGLBSA-N 371.784 2.709 0 50 FFAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1Cl)CC2 91255430 QHNWGSXYAAXKGC-AWEZNQCLSA-N 364.873 2.566 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ccc1F 95511748 VDVWEGSLHYHFQI-GOEBONIOSA-N 373.453 2.854 0 50 FFAA COc1cccc2c(C)c(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)oc12 299749004 IWDYYSLBLNBRBQ-ZDUSSCGKSA-N 361.394 2.846 0 50 FFAA O=C(CCc1ccccc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263616776 KMEBOGIUACUNOX-UHFFFAOYSA-N 373.456 2.809 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)N3CCCC3)CC2)c1 72423643 HCRXQCFRTGKBFG-UHFFFAOYSA-N 350.390 2.648 0 50 FFAA Cc1cnc(C)c(-c2cccc(C(=O)NCCCc3nnc(N)s3)c2)n1 299776356 AKCWGOFXSHCTRK-UHFFFAOYSA-N 368.466 2.557 0 50 FFAA O=C(NCCc1nc2ccccc2o1)C1(N2CCOCC2)CCCCC1 299801841 XZMWSDYOCWHEOH-UHFFFAOYSA-N 357.454 2.522 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 299792929 GENVQKQDOQTERQ-QMMMGPOBSA-N 361.755 2.835 0 50 FFAA Cc1cc(OC[C@@H](O)CNC(=O)C2CCN(C(C)C)CC2)ccc1Cl 828593137 SFDXTPLZVQEAMW-INIZCTEOSA-N 368.905 2.625 0 50 FFAA Cc1ccc2nc([C@H](NC(=O)c3cnn4ccn(C)c34)C(C)C)[nH]c2c1 584886496 IXZUYGCYESDSEL-MRXNPFEDSA-N 350.426 2.985 0 50 FFAA CC[C@@H](C)Cc1nc(Cc2c(C)nc(C)nc2O)n(-c2ccncc2)n1 952873202 ILDCBZRTKKEXSC-GFCCVEGCSA-N 352.442 2.954 0 50 FFAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)Cc1cccc(Cl)c1 952972023 WFKMETUJHHMXHH-AWEZNQCLSA-N 372.918 2.749 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)NS(=O)(=O)c1cc(C)c(C)s1)O2 408484898 OQLOMTUUDOPQIY-OAHLLOKOSA-N 365.476 2.872 0 50 FFAA CCC1(CC)CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 170600920 NUEWAESGGHNOBV-YWZLYKJASA-N 363.502 2.916 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 279630684 DAWOAQMFEJGSSA-GWCFXTLKSA-N 352.312 2.754 0 50 FFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 185839219 WMQQPFZBGVHWPG-FQEVSTJZSA-N 372.509 2.865 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3cc(C4CCCCC4)n[nH]3)CCO2)cn1 191765785 LZEDYGRPWWOABQ-GOSISDBHSA-N 357.458 2.888 0 50 FFAA Cc1cc(C)c2cc(C(=O)N[C@H](CO)C[C@H](O)c3ccccc3)[nH]c2c1 757963430 PSLFPGXFJDDFPZ-JXFKEZNVSA-N 352.434 2.999 0 50 FFAA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)cc1 1181334 MHFMDHCLGWOSGE-WOJGMQOQSA-N 372.384 2.847 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 12138540 IBJHFVGJSRFKRE-HNNXBMFYSA-N 368.389 2.546 0 50 FFAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 12380907 REQQGFHHXGTPJS-CQSZACIVSA-N 372.396 2.704 0 50 FFAA COc1ccc(/C=C/CN2CCC(=O)N(CCN3CCCCC3)CC2)cc1 14983630 ROJQEOXVQUZWAJ-AATRIKPKSA-N 371.525 2.729 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3C)CC2)cc1 19790302 QNPZSWGTZUKDNJ-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA Cc1ccn(CCC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)n1 1857680863 WXJVVTAOSOBXJY-UHFFFAOYSA-N 363.465 2.610 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ncc(F)cc2F)[C@H]1c1ccccc1 1857716539 CXAINLIVEDDFIQ-WMZOPIPTSA-N 361.392 2.504 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C2 1857719163 FTODZSKRTKEPEX-PWSUYJOCSA-N 362.779 2.761 0 50 FFAA CC(=O)N1CCC(CNC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CC1 363492062 ZVOULVLUGWENNP-LJQANCHMSA-N 361.461 2.801 0 50 FFAA COc1cccc(-n2cc(CNC(=O)Cc3ccc(Cl)cc3)nn2)c1 1875258129 YQMKTIZPRASERL-UHFFFAOYSA-N 356.813 2.788 0 50 FFAA COC(=O)c1coc2c1CN(CC(=O)Nc1cnc3ccccc3c1)C2 1875344335 CODOGTVGSJYMES-UHFFFAOYSA-N 351.362 2.569 0 50 FFAA O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(F)cc1 1427698 CMZJWPHGUDNCEL-AWEZNQCLSA-N 367.332 2.886 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)c1cc([C@@H](O)c2ccc(F)cc2)on1 2325776453 NTCGKDBMTFKPFY-KRWDZBQOSA-N 356.309 2.876 0 50 FFAA CN(C(=O)c1cc([C@H]2CCCN2)nn1C)c1nnc(-c2ccccc2)s1 2325799388 SETDEBOIYYGGOH-CYBMUJFWSA-N 368.466 2.640 0 50 FFAA O=C(O)c1ccc([C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 2325803326 ADYDRLJDNGPKHU-XBGMYJNYSA-N 366.461 2.749 0 50 FFAA CC(C)CC(=O)N[C@H](C)C[C@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868253 UOVYHYXIFVRFRN-CIQAELJKSA-N 351.535 2.695 0 50 FFAA C[C@H](CCNC(=O)c1ccccn1)N(C)C(=O)c1ccc2cccnc2c1 2325871733 WUYXEPNPMBBUKZ-OAHLLOKOSA-N 362.433 2.910 0 50 FFAA COc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OC)cc3)CC2)cc1 758193 FVVJGEDYSJEHTD-UHFFFAOYSA-N 368.433 2.692 0 50 FFAA CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 892636 VYLJKBHIINZIPE-LBPRGKRZSA-N 362.455 2.961 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2coc(-c3ccccc3)n2)C1=O 2356152210 DSEVCGBAHWGQSE-OAQYLSRUSA-N 369.465 2.945 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 2999210 YZTXHXKFUOQDJS-UHFFFAOYSA-N 364.511 2.798 0 50 FFAA OC1CCN(c2cncc3ncc(-c4ccc5c(c4)OC(F)(F)O5)n23)CC1 2356161275 NPGJFRHFNQFBBA-UHFFFAOYSA-N 374.347 2.679 0 50 FFAA Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)s2)CC1=O 4975572 MHHAXBRMYCOOSM-VIFPVBQESA-N 370.356 2.857 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2C)n2ncnc2N1 4987129 NMHIEKHSAMLXKC-YOEHRIQHSA-N 354.410 2.598 0 50 FFAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(Br)cc2C)CC1=O 8235039 VXPFRIFCBMHJOM-NEPJUHHUSA-N 369.259 2.579 0 50 FFAA O=C(O)C[C@H](NCc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 8771278 LPNJEDWBOQUBJM-AWEZNQCLSA-N 371.418 2.975 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)NCCCOc1cccnc1 55166825 SIBYOOHVASEAMI-UHFFFAOYSA-N 356.382 2.633 0 50 FFAA CN1CCN(C[C@@H](O)CN2c3ccccc3Sc3ccccc32)CC1 22478487 LXIDZRUVWLFBAZ-MRXNPFEDSA-N 355.507 2.898 0 50 FFAA Cc1cc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)n(C)n1 23505518 YHSNQTAAGBRYNW-UHFFFAOYSA-N 350.470 2.748 0 50 FFAA Cc1ccc2n1CCN(C(=O)CCc1nc3ccccc3[nH]c1=O)[C@@H]2C 65394781 HGBUWYZDCULFCJ-CQSZACIVSA-N 350.422 2.569 0 50 FFAA O=S1(=O)C=C[C@@H](NC2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 23505389 FRVUZVMFTDGNDW-QGZVFWFLSA-N 358.463 2.816 0 50 FFAA Cn1nc(CC(=O)N[C@H]2CCN(c3ccccc3F)C2)c2ccccc21 421575420 NVOVVSFTWUHJSY-AWEZNQCLSA-N 352.413 2.650 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)NCc1ccccc1F 1073360755 ZYSZTRTYXVWNIK-WBVHZDCISA-N 371.460 2.663 0 50 FFAA O=Cc1cccc(OCC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1 123445245 RLAPJKZCAXDQIZ-NRFANRHFSA-N 353.418 2.850 0 50 FFAA Cc1csc(CN2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67755793 GIUHDERRMWXCST-AWEZNQCLSA-N 355.467 2.705 0 50 FFAA CCO[C@H]1C[C@H](N(C)C(=O)NCc2cccnc2-n2ccnc2)C12CCC2 118948889 PGXATSSZAVAATF-IRXDYDNUSA-N 369.469 2.756 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)c1ccc([C@@H]2CCCO2)s1 65419940 YTKCBBWGYKJVGR-HNNXBMFYSA-N 369.446 2.740 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cc2ccccn2c1 328617448 CTZYVXWQRBZBGW-OXJNMPFZSA-N 365.481 2.828 0 50 FFAA CC1CCN(c2ccc(=O)n(CC(=O)Nc3ccc4cc[nH]c4c3)n2)CC1 61721058 YGXLRNZOFFVSSB-UHFFFAOYSA-N 365.437 2.600 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCc2c[nH]nc2-c2ccc(F)cc2)c1C 219598553 NEQYWSUFOQKUJK-UHFFFAOYSA-N 369.400 2.548 0 50 FFAA Cc1cc(C)c(CN2CCCCC[C@@H]2CO)cc1CN1CCN(C)CC1 215495390 ZBUNHYOOLRLUBL-JOCHJYFZSA-N 359.558 2.788 0 50 FFAA CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccncc2C)CC1 121323895 YCEZZVYKUBIBMO-UHFFFAOYSA-N 367.497 2.849 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72137219 UYGFYDRPWHSJLV-QGZVFWFLSA-N 355.438 2.761 0 50 FFAA Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)COc2ccc(C(N)=O)cc2)C1 121741548 KMXSILCTMJJFDC-WBVHZDCISA-N 352.434 2.877 0 50 FFAA COc1cc(-c2nc(CN3CCc4n[nH]cc4C3)c(C)o2)cc2c1OCO2 71760812 XTZDNXJZVVQPJZ-UHFFFAOYSA-N 368.393 2.669 0 50 FFAA COc1ccccc1C[C@H]1CCCN1C(=O)CNC(=O)c1cccs1 124204294 RSRLEWSZTMTMOA-OAHLLOKOSA-N 358.463 2.720 0 50 FFAA Cn1c(CCNC(=O)c2csc([C@H]3CCCO3)n2)nc2cc(F)ccc21 132389644 RLBBFEDQXZXLNS-OAHLLOKOSA-N 374.441 2.993 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)Cn3cc(C)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72431548 OFTBARRNNSYQCW-KSEOMHKRSA-N 364.493 2.589 0 50 FFAA O=S(=O)(Cc1cccc2cccnc12)N1CCC([C@@H]2CCOC2)CC1 369920485 PGOAGMFZQPECMC-QGZVFWFLSA-N 360.479 2.813 0 50 FFAA O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(CO)CO)C1 71422286 CGYZTYFUEMQKAL-KRWDZBQOSA-N 355.434 2.727 0 50 FFAA CN(C)[C@@H]1CCN(Cc2cccc(C(=O)Nc3cccc(CO)c3)c2)C1 65380582 LIPORHLTLPKIPI-HXUWFJFHSA-N 353.466 2.567 0 50 FFAA O=C(O)[C@]12CN(Cc3cccc(F)c3)C[C@H]1CN(Cc1cccs1)C2 215230068 UDFWGMCJHQIZPR-KXBFYZLASA-N 360.454 2.906 0 50 FFAA CNC[C@@H]1CCCN(C(=O)c2sc(C)c(Br)c2OC)C1 159109939 PNCGCNPKTMJFMY-JTQLQIEISA-N 361.305 2.899 0 50 FFAA O=C(O)[C@@H]1c2[nH]cnc2CCN1Cc1ccc(OCc2ccccn2)cc1 72440336 IFSBUZXKOBWXLK-IBGZPJMESA-N 364.405 2.568 0 50 FFAA CCCC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 174970000 ZDMWLCJSQZMVSQ-WOJBJXKFSA-N 371.525 2.758 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C)CC1 82107899 IFCMWMXGCCRBGQ-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA Cc1ccn2cc(CNC(=O)N(C)CCc3noc(C(C)C)n3)nc2c1 426656925 JDNZKKVNSPYQCV-UHFFFAOYSA-N 356.430 2.533 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)c1C 223791855 GLQFXAAAFVEUSU-IAGOWNOFSA-N 374.412 2.940 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 426526990 RLEIFWLQCFLGOR-LBPRGKRZSA-N 373.482 2.912 0 50 FFAA O=C(NCc1ccc2c(c1)CCO2)N1CCC[C@@H](OCc2ccccn2)C1 426530808 MCDHUCOCSJXDPZ-LJQANCHMSA-N 367.449 2.907 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)NCCN(C)C)csc3C2)nc1 426602522 OLHYIBLPHUYFBE-UHFFFAOYSA-N 372.538 2.555 0 50 FFAA CCOc1cc(F)cc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95372313 MIMCGLCLXABNHL-LJQANCHMSA-N 373.428 2.563 0 50 FFAA O=C(Nc1ccc2occc(=O)c2c1)N1CCC(N2CCSCC2)CC1 95499569 XCLHNMOZSAHVLC-UHFFFAOYSA-N 373.478 2.838 0 50 FFAA CCCN1CCC[C@@]2(CCN(C(=O)c3nc4ccc(C)cn4c3F)C2)C1=O 92061974 SGKUGJZJBIODLQ-FQEVSTJZSA-N 372.444 2.647 0 50 FFAA CCCSCc1nc(-c2ccc(C)o2)nn1[C@@H]1CCS(=O)(=O)C1 96167197 NARZSCQIIOFPGP-GFCCVEGCSA-N 355.485 2.849 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2ccnn2Cc2cccs2)o1 96141380 DNNSODFKMGXXNQ-UHFFFAOYSA-N 360.443 2.992 0 50 FFAA CN(CCO)C[C@@H]1CN(Cc2sc3ccccc3c2Cl)C[C@@H]1CO 91650112 XGMRVWJBTHAYQD-ZIAGYGMSSA-N 368.930 2.519 0 50 FFAA O=C([C@H]1CCO[C@@H]1c1ccncc1)N1CCO[C@@H](c2cccc(F)c2)C1 293024200 FQXJRUVMTBVCRY-IPMKNSEASA-N 356.397 2.898 0 50 FFAA CCc1nc2ccc(NC(=O)NC[C@H](O)COC3CCCCC3)cc2[nH]1 96163564 UZSBBWKXPOCLJE-AWEZNQCLSA-N 360.458 2.957 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c(C)n1 22912087 LRJGFMQCZMDNQA-NRFANRHFSA-N 356.514 2.670 0 50 FFAA CN(C)C(=O)c1ccc(CNCc2cc(=O)c3cccc(Cl)c3[nH]2)o1 91830250 KHTSUTDXVPMMAN-UHFFFAOYSA-N 359.813 2.766 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCCN(Cc3cccnc3)CC2)c(C)c1 95353831 CLFHMDFVTSRWCD-HXUWFJFHSA-N 369.465 2.732 0 50 FFAA CCN1Cc2nc(OC)c(CNC(=O)Nc3ccc(C)cc3)cc2C1=O 96140826 SAYIXSIEAREGBS-UHFFFAOYSA-N 354.410 2.696 0 50 FFAA O=C(c1ccco1)N1CCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 91712983 DPDZGBHTNXYBGI-UHFFFAOYSA-N 371.824 2.733 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(c2nccn2C(C)C)CC1 92046186 GTTYMTWLWGUTAW-SJORKVTESA-N 360.502 2.722 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NCCCNc1cccnc1 95354074 PIIJQZZPTVOHKZ-UHFFFAOYSA-N 352.482 2.879 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244678881 ILSNZHAVHXUTSK-ZVZYQTTQSA-N 361.388 2.842 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccc2ccccc2c1 247750869 VSMCAPIFBFQRAZ-HRFMKDBOSA-N 373.408 2.798 0 50 FFAA COCCc1noc([C@@H]2CCCN(C(=O)CC3Cc4ccccc4C3)C2)n1 244796003 RRCBOWXGOMBNOV-GOSISDBHSA-N 369.465 2.770 0 50 FFAA C[C@@H](NC(=O)c1ccc(CSc2ccccn2)cc1)c1ncnn1C 252494368 NTZGARWTBSULLO-CYBMUJFWSA-N 353.451 2.993 0 50 FFAA O=C1C[C@H](C(=O)NC2CCN(Cc3cccs3)CC2)c2ccccc2N1 368803333 XCDUGGUHJHHJEE-KRWDZBQOSA-N 369.490 2.955 0 50 FFAA CN1C(=O)C[C@H](C(=O)NCCc2cnn(-c3ccccc3)c2)c2ccccc21 361066844 BMQADJNBIFRIDT-IBGZPJMESA-N 374.444 2.681 0 50 FFAA O=C(CCC(=O)N[C@H](Cn1cccn1)c1ccccc1)NC1CCCC1 55403218 PJNWTJKBUNTZKO-GOSISDBHSA-N 354.454 2.580 0 50 FFAA COc1cccc(-c2cn3c(C(=O)N4CCN(C)[C@@H](C)C4)csc3n2)c1 59314035 KJGKPZJMEWREQX-ZDUSSCGKSA-N 370.478 2.848 0 50 FFAA CC(C)CN1CCN(C(=O)Nc2cccc(-n3cccn3)c2)[C@H](C)C1=O 299783563 ZYXQUOHMEMEYLT-OAHLLOKOSA-N 355.442 2.593 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)c2)nn1 299769354 WXSIZYBXYJIAPV-MRXNPFEDSA-N 363.421 2.895 0 50 FFAA CC(C)CN1CCN(C(=O)c2cccc(-c3cccnc3O)c2)[C@@H](C)C1=O 299801929 ZCZAWHAYHOTOOG-HNNXBMFYSA-N 367.449 2.783 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 824704415 GWPJBZHHZHQKLD-UHFFFAOYSA-N 358.442 2.989 0 50 FFAA CCCc1nc(C)c(CNC2CCN(C(=O)[C@H]3CCCO3)CC2)s1 823015149 CFBOPJYWSVIFCX-OAHLLOKOSA-N 351.516 2.664 0 50 FFAA Cc1nnc(SCC(=O)N[C@H](Cn2cccn2)c2ccccc2)s1 670460149 NDQDJLCSJFGSIZ-CQSZACIVSA-N 359.480 2.693 0 50 FFAA O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCCc2c1[nH]c1ccccc21 952989614 RLIUOMATILBAHO-QGZVFWFLSA-N 372.432 2.880 0 50 FFAA O=C(O)c1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)cc1 1565513302 GBRCTYPHANKAKM-LPHOPBHVSA-N 365.433 2.516 0 50 FFAA CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1O 273949530 MOVCOIXMJZZAHE-RYUDHWBXSA-N 366.405 2.518 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccncc1F)CC2 275780295 SVNZUGAPYJAGLQ-OAHLLOKOSA-N 360.458 2.804 0 50 FFAA COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2S(C)(=O)=O)cc1 170620253 RFVXOWZHRIVSFH-GOSISDBHSA-N 360.435 2.815 0 50 FFAA C[C@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)[C@@H]1COc2ccccc21 189673015 VPVAZQUKGGJZDX-RRQGHBQHSA-N 372.494 2.784 0 50 FFAA Cn1nccc1-n1nc(-c2cccc(F)c2)nc1CCCn1cccn1 1772809407 WHKTYZRGFUECAP-UHFFFAOYSA-N 351.389 2.636 0 50 FFAA OCC1(CO)[C@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@@H]21 1772811377 STWQWRSMRUADMP-OALUTQOASA-N 373.880 2.952 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N(C)Cc1ncon1)C2 1772813075 UXLOVWDKDPZUOT-LLVKDONJSA-N 373.438 2.561 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)s1 11178396 VBWZLVJLTRMWTJ-UHFFFAOYSA-N 360.468 2.681 0 50 FFAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCN(C(=O)c2ccco2)CC1 11998219 DFEYKEUEDLWSDW-UHFFFAOYSA-N 365.389 2.896 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 13464326 WRWKLZMOFAMVPZ-CWRNSKLLSA-N 364.442 2.553 0 50 FFAA CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 14981575 LYIYRNSZPPLQJU-GOSISDBHSA-N 358.461 2.615 0 50 FFAA O=C(c1ccc(F)cc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169780181 MEWRBANYXBOOIP-UHFFFAOYSA-N 366.396 2.720 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)on1 1857716915 JAKAAUQXIYVVOG-JTDSTZFVSA-N 355.438 2.742 0 50 FFAA O=C(O)c1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1857727745 ZGRYAWIOTLCCTE-WOJBJXKFSA-N 352.434 2.643 0 50 FFAA Cc1ccc(Br)c2c1C(C)(C)CN2S(=O)(=O)c1c[nH]cn1 225385869 LXCDEDSAHKARNX-UHFFFAOYSA-N 370.272 2.967 0 50 FFAA O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 1678300 TWIVXHQQTRSWGO-KRWDZBQOSA-N 371.389 2.890 0 50 FFAA in-vitro CC(=O)c1ccc(OCC(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)cc1 221984458 GWHJWYDCXMRFDJ-ICSRJNTNSA-N 370.493 2.991 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)CC(=O)O 2386866 JABNOCWCLLYHKE-AWEZNQCLSA-N 351.399 2.878 0 50 FFAA in-vitro Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)o1 248045514 UZXKNULWJMUVOO-IRXDYDNUSA-N 372.494 2.593 0 50 FFAA C[C@@H]1CCCCN1C(=O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 151812631 RTWFDNZYYBLPNB-LLVKDONJSA-N 368.268 2.972 0 50 FFAA CN(Cc1ccc(F)c(C(F)(F)F)c1)C[C@H]1OCC[C@H]1c1nc[nH]n1 952890392 SBEUNWUHVCLHSL-BXUZGUMPSA-N 358.339 2.967 0 50 FFAA Cn1cnc2c1CC[C@H]1[C@H]2CCCN1C(=O)c1cncn1-c1ccccc1 1875295902 URVGEGBMFSODBK-SJORKVTESA-N 361.449 2.940 0 50 FFAA Cn1cc(C[C@H]2CCC[C@@H]2NS(=O)(=O)c2ccc3cnccc3c2)cn1 1875312558 OQFVFZZKBYLEFL-APWZRJJASA-N 370.478 2.658 0 50 FFAA CN1Cc2cc(S(=O)(=O)N(C)[C@H]3C[C@H]3c3ccccc3)ccc2OC1=O 1875306107 TVKFVTVPDGTNQS-IRXDYDNUSA-N 372.446 2.807 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCOc3c(cccc3OC)C2)cc1 1875371228 UMFCOMHBWUUAMC-UHFFFAOYSA-N 352.390 2.855 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC(c3nnc(C)s3)CC2)cc1 1875369238 COKOKKCRQVXXRI-UHFFFAOYSA-N 356.451 2.991 0 50 FFAA Nc1ncc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1Cl 2325724436 VDIFYCYXYLWUDM-SNVBAGLBSA-N 365.220 2.506 0 50 FFAA O=C(c1ccc(Cn2ccnn2)cc1)N1CCCNC[C@@H]1c1ccccc1 2325779342 ZFJKWIBFAUJUPQ-HXUWFJFHSA-N 361.449 2.503 0 50 FFAA Cn1nc(CN2CCC3(CC2)C(=O)NCc2ccccc23)c2ccccc21 2325789696 GNBWSCIEEQRFMH-UHFFFAOYSA-N 360.461 2.737 0 50 FFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1C1CCOCC1 2325810491 NGPHOOXETSNAEK-VQTJNVASSA-N 358.482 2.542 0 50 FFAA Cc1[nH]c2c(c1C(=O)N(C)C[C@H]1Cc3ccccc3CN1C)C(=O)CCC2 77339557 FBRRTLKJZYCXMW-QGZVFWFLSA-N 365.477 2.971 0 50 FFAA COc1ccc(CC(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc1OC 849559 GNSAWCHPDKOPJO-ORAYPTAESA-N 357.406 2.591 0 50 FFAA CC1(C)NC(=O)N(CCOc2ccc(C(=O)c3ccccc3)cc2)C1=O 1124798 TWELZMYRWBZDAG-UHFFFAOYSA-N 352.390 2.627 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1 2203454 GVDVCLSVHXYYLI-CYBMUJFWSA-N 351.435 2.732 0 50 FFAA COc1ccc(CN2CCC[C@]23CCCN(CCO)C3=O)c2ccccc12 2356137921 AQUQIFHQASLGEZ-QFIPXVFZSA-N 368.477 2.798 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cn4c(C)cccc4n3)C1)CC2 2356145834 KDVKJLIUINMUBD-OAQYLSRUSA-N 361.449 2.861 0 50 FFAA O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1C[C@H](CO)c2ccccc21 1324602890 VZBSMXWPJRBNAQ-OAHLLOKOSA-N 360.417 2.881 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 4944442 GASMTOXQZKDUNN-MRVPVSSYSA-N 355.341 2.985 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1C 22852373 WEHZKLJHVGFHLK-LJQANCHMSA-N 360.502 2.572 0 50 FFAA C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)N(C)c4ccccc4)cc1c32 102592017 GNUUCNCGXBKZOC-ZDUSSCGKSA-N 356.447 2.908 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280030096 NSWCSLSKWNDRQG-RISCZKNCSA-N 352.312 2.754 0 50 FFAA CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2nccn2CC(F)(F)F)C1 112700170 RVBLRCIHNKFCBW-ZDUSSCGKSA-N 360.424 2.820 0 50 FFAA O=C(CC[C@@H]1CCCO1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 115157244 AJKFXYNXZIPOTR-VQTJNVASSA-N 360.498 2.507 0 50 FFAA Cc1cc(CN2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)[nH]n1 20997421 LXIBDYJDPRYFTK-UHFFFAOYSA-N 350.470 2.813 0 50 FFAA CCc1nnc(-c2nc3c([nH]2)C[C@@H](c2cccc(OC)c2)CNC3=O)s1 65397177 JMRDKFBCDBMMPP-LLVKDONJSA-N 369.450 2.569 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3ccsc3)cnn2c1 67946652 BWLFENHGSZSBTO-UHFFFAOYSA-N 357.483 2.905 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 29027692 OPEZLDIPIKAFMY-AWEZNQCLSA-N 366.483 2.618 0 50 FFAA Cc1sc2ncnc(-c3cnn(CC(=O)Nc4ccnn4C)c3)c2c1C 63856965 JXEYNOHIJLGHSO-UHFFFAOYSA-N 367.438 2.544 0 50 FFAA Cc1ncc(C)c(N2CCN(Cc3cccc(Cn4cccn4)c3)CC2)n1 65459362 IHZFWLGPQQYZDF-UHFFFAOYSA-N 362.481 2.660 0 50 FFAA O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1N1CCOCC1 64336853 RDAUXWBGADHKRD-GOSISDBHSA-N 365.477 2.780 0 50 FFAA CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 171453701 VRKXEZUQRJURQZ-PKOBYXMFSA-N 358.482 2.672 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N[C@@H](CC(C)C)c3cccnc3)cc2C1 65468028 PZBCABQETNNVDD-SFHVURJKSA-N 369.469 2.548 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1 229762800 RDOSKIVVWNIMCV-VNHYZAJKSA-N 351.422 2.740 0 50 FFAA Cc1c(F)cccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72440156 AMOIDOZDOZHQGQ-GOSISDBHSA-N 374.456 2.812 0 50 FFAA CCCn1ncc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)c1C 215219412 HNQVPBRNENGUGC-UHFFFAOYSA-N 350.426 2.585 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](CO)Cc3ccco3)cc2)n1 77469867 JKTKATDOBIBVBB-INIZCTEOSA-N 353.422 2.663 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCC[C@H](C)C4)nc3c(=O)n2C)c(C)o1 72418663 RYWJZWQAPTYZKV-LBPRGKRZSA-N 368.437 2.782 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 124280954 RBEDDNQJWCUKIO-HOTGVXAUSA-N 353.484 2.756 0 50 FFAA CCn1nc(C)cc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1 12584563 SWHHERPKZQADIK-FQEVSTJZSA-N 360.502 2.712 0 50 FFAA Cc1oc(-c2cccc(F)c2F)nc1CN1C[C@H](O)[C@@H](OC(C)C)C1 71765171 LUAGBQGDZFSRAJ-HOTGVXAUSA-N 352.381 2.898 0 50 FFAA C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C[C@H](C)N1 153653590 IOXYRDCSMUNNBM-RRUDCUFVSA-N 351.450 2.883 0 50 FFAA CN1CCC(N(Cc2ccncc2)Cc2cn(-c3ccccc3)nn2)CC1 216443957 RPMXECACZURLLQ-UHFFFAOYSA-N 362.481 2.759 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1 331587221 SCKZPLHFGUAGOI-GOSISDBHSA-N 359.495 2.712 0 50 FFAA O=C1[C@@H](n2nc(-c3ccco3)oc2=O)CCN1[C@H]1CCCc2ccccc21 367398805 KOXBSNTUEMAILF-HOTGVXAUSA-N 365.389 2.947 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CC4)CC2)n1 156189093 MKMWWUAEHLHSKM-UHFFFAOYSA-N 355.398 2.674 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCC(c2ccncc2)CC1 77424362 UJHBIQMXXXXPAC-UHFFFAOYSA-N 351.450 2.938 0 50 FFAA C[C@H](OC[C@H](O)CN1C(=O)[C@H]2CCCCN2C1=O)c1ccc(Cl)cc1 239762457 CLLPDGSOLKDWOF-APHBMKBZSA-N 366.845 2.595 0 50 FFAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 332915086 RVCLQXLUPBKYIZ-SMDDNHRTSA-N 371.462 2.751 0 50 FFAA O=C(c1cocn1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72149226 OEHMVDDHXGRMTJ-CGTJXYLNSA-N 359.376 2.655 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 77375264 QADJDEJCYUEKNL-OAHLLOKOSA-N 365.437 2.834 0 50 FFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2coc(C)c2)C1 376968030 OVBSKAJXRIXUCE-WBVHZDCISA-N 352.394 2.975 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 262881977 KSIKKCHSZDSJBY-FGTMMUONSA-N 351.402 2.565 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2c(C)nn(C)c2C)[C@@H](C)C1 72435246 LEKUSIYDQXAUQI-HNNXBMFYSA-N 370.497 2.715 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)s1 72474185 SIGVCGAVQAKJGP-MRXNPFEDSA-N 362.495 2.734 0 50 FFAA CSCc1nc(Cn2ccnc2-c2cc3n(n2)CCCNC3)cs1 72438533 URCWEVQMZKHRIZ-UHFFFAOYSA-N 360.512 2.608 0 50 FFAA O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCSCC1 49549718 AGHXXWZYETZKPI-UHFFFAOYSA-N 356.426 2.991 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1F 44901717 ARQIHCPGIRORPC-UHFFFAOYSA-N 355.344 2.505 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2)OC1=O 72146726 OTTDYAQPTBVGMA-LJQANCHMSA-N 354.410 2.524 0 50 FFAA CCc1ccc2occ(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)c2c1 285956227 GLSAIEWOEWKOJF-INIZCTEOSA-N 366.421 2.572 0 50 FFAA Cc1cc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)C3)CC2)ccn1 220537736 XCVNFJIBTSQOAP-HXUWFJFHSA-N 364.493 2.528 0 50 FFAA CN1CC2(CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)OC1=O 220623289 UJLIHFBZYGBMMP-UHFFFAOYSA-N 355.438 2.934 0 50 FFAA Cc1cccc2c1OC[C@@H](NC(=O)Nc1ccccc1Cn1cncn1)C2 289919720 VIBGQGLUVZOVOG-KRWDZBQOSA-N 363.421 2.760 0 50 FFAA CN1CCN2CCN(Cc3ccc(-c4ccc(Cl)cc4)cc3)C[C@H]2C1=O 225326631 OYCZDIWCSYXEDS-FQEVSTJZSA-N 369.896 2.965 0 50 FFAA c1nc(CSc2nnc(C3CCNCC3)n2C[C@@H]2CCCO2)cs1 426727462 LCMJOWQWINOKKH-AWEZNQCLSA-N 365.528 2.673 0 50 FFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCc3cnn[nH]3)c2c1 426434041 KHFJQCCDNFAYKE-UHFFFAOYSA-N 358.405 2.696 0 50 FFAA c1ccc2c(c1)Cc1c(ncnc1NCCCCCN1CCOCC1)CO2 95507875 JTFUYHUAMHBQSC-UHFFFAOYSA-N 368.481 2.874 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 426635499 PZYSEHKBZVOSHK-LLVKDONJSA-N 362.865 2.668 0 50 FFAA Cc1ccccc1CN(C(=O)[C@H]1CCC(=O)NC(=O)N1)C1CCCCC1 97495127 QFEVTUKESFCUKE-QGZVFWFLSA-N 357.454 2.645 0 50 FFAA c1cncc(-c2ccnc(N3CCC(c4nnc5ccccn45)CC3)n2)c1 97660589 DEOPWGFTVGFAQZ-UHFFFAOYSA-N 357.421 2.965 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)on1 95521421 VMEYZCQXYWGOGC-QGZVFWFLSA-N 351.406 2.970 0 50 FFAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Nc2ccccn2)CC1 91997527 MXWNXRXXZPRYEP-INIZCTEOSA-N 370.497 2.666 0 50 FFAA COc1cc(C)sc1-c1nc(CC(N)=O)nn1C1Cc2ccccc2C1 96138572 GQQMITQTMUKNJS-UHFFFAOYSA-N 368.462 2.691 0 50 FFAA CSCCCN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1 91987052 ZILNFEYGGKAQAP-UHFFFAOYSA-N 362.543 2.639 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCC[C@H]1c1nc(-c2ccncc2)no1 91724968 LBDGENOOACFQQH-ZDUSSCGKSA-N 366.406 2.818 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCCc1noc(C3CCCC3)n1)CO2 91746264 ZCFLGFNIDVTUGB-HNNXBMFYSA-N 371.437 2.646 0 50 FFAA COC1(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCC1 180938327 NZTHEERNTLAFBX-UHFFFAOYSA-N 351.468 2.702 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 91505632 GMTUKVUKMSMKHE-GHTZIAJQSA-N 364.493 2.884 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)ccc1F 92028032 OZNJUIHRVJXCDM-MAUKXSAKSA-N 367.424 2.906 0 50 FFAA O=C(NCc1cccc(OC(F)F)c1)c1coc(CN2CCOCC2)c1 97546564 AMHPQEYKNGJEOM-UHFFFAOYSA-N 366.364 2.643 0 50 FFAA CCOCCOc1ccccc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 244858571 VNPNQTVODDVQTP-GOSISDBHSA-N 369.417 2.754 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@H]3C4[C@H]5C=CC(C=C[C@@H]45)[C@H]3[C@@H]21 252427227 XQNVACDZHJISQC-XLKVZKPZSA-N 350.414 2.541 0 50 FFAA O=C1[C@@H](N2CCCN(c3ccccn3)CC2)CCN1c1ccccc1F 183822605 QJBAYOZTRXWOKW-SFHVURJKSA-N 354.429 2.538 0 50 FFAA CC(=O)c1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)cs1 299779045 JKEADMKDTFJYRE-UHFFFAOYSA-N 368.466 2.565 0 50 FFAA OC1CCN(c2nc3cc(F)ccc3cc2CNC[C@H]2CCCO2)CC1 299777599 FIKPAAYOIKREOR-GOSISDBHSA-N 359.445 2.604 0 50 FFAA Cc1cnc(C)c(-c2cccc(C(=O)NC(C)(C)CN3CCOCC3)c2)n1 299787597 NUZHYWDOGPTBJY-UHFFFAOYSA-N 368.481 2.601 0 50 FFAA Cn1cnnc1SCC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 299797039 OYCTYYAKRQWGJR-QGZVFWFLSA-N 373.526 2.641 0 50 FFAA CCCC(=O)Nc1ccc(NC(=O)c2cc3ncccn3n2)cc1OC 822752054 CRDGJWLATPIQOY-UHFFFAOYSA-N 353.382 2.729 0 50 FFAA CCCn1cnnc1CN[C@@H](C)CCc1c(C)[nH]c2ccccc2c1=O 823031275 FFCUKXAWOWLCHC-AWEZNQCLSA-N 353.470 2.949 0 50 FFAA COc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(OC)c1 952968923 GGHYSQVUJSPGDX-GFCCVEGCSA-N 370.405 2.629 0 50 FFAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 952967636 BZIIPVDWMFYIDP-HNNXBMFYSA-N 374.462 2.626 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 952969111 RVXKKQSWXLZLMS-LBPRGKRZSA-N 353.426 2.619 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)Cc1c[nH]nc1C 952866542 BOJLEMSUBAJJGN-UHFFFAOYSA-N 357.863 2.899 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)[C@H]2CC2(C)C)cc(Br)c1F 408477339 AHZDPAMHAZFTEG-SECBINFHSA-N 364.236 2.748 0 50 FFAA O=C(Cn1ccc2ccc(F)cc21)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088319 KNGVNSSZUDDNKR-QILLFSRXSA-N 369.440 2.640 0 50 FFAA Cn1c([C@@H]2CCCN2CCS(=O)(=O)c2ccccc2)nc2c1CCCC2 275892025 HUHHTXCSWZNIAL-IBGZPJMESA-N 373.522 2.910 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 278467831 SVRBDYIZFHZBKL-LBPRGKRZSA-N 355.364 2.648 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 279279162 WJIPDKCQYDOQNY-AWEZNQCLSA-N 372.469 2.731 0 50 FFAA O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@@H](O)CC1CCCC1 191285656 LQJNJCMMIUJHNS-INIZCTEOSA-N 356.401 2.663 0 50 FFAA COc1ccccc1Nc1ncccc1C(=O)N1CCN2CCC[C@@H]2C1 195320265 ULWKECLZXFCSIR-OAHLLOKOSA-N 352.438 2.754 0 50 FFAA C[C@]12CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@@]2(O)C(=O)O1 198521225 AALLCALQGXXWNA-JWXRWZCYSA-N 358.390 2.533 0 50 FFAA endogenous,in-man Cc1ccc(N2CCC(N3C[C@@H](O)[C@H](Cc4ccccn4)C3)CC2)cc1 1529109506 BNDDBXWIHIAHRH-XMSQKQJNSA-N 351.494 2.894 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cc4ccccc4s3)C[C@@H]12 1704297053 DVGASYNGRYWPGK-APWZRJJASA-N 358.463 2.912 0 50 FFAA C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 5015902 APPKJYBPYMDUBD-JTQLQIEISA-N 372.446 2.995 0 50 FFAA CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2=O)cc1 11099103 HWRJLMWRUMKBEE-OFQRWUPVSA-N 357.454 2.502 0 50 FFAA O=C(c1c[nH]cn1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 12445819 RCUKQALBRZTXND-OAQYLSRUSA-N 352.482 2.971 0 50 FFAA Cc1nnc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2C)s1 13519616 CUSIQCUHHZXPHC-JTQLQIEISA-N 374.495 2.685 0 50 FFAA C[C@@H](Nc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1)C1CC1 15078213 SUSSTINVZVEOSD-OAHLLOKOSA-N 370.497 2.767 0 50 FFAA CN1c2cc(C(=O)NCc3ccc(F)cc3)ccc2C(=O)N2CCC[C@@H]21 169765846 QCPYFLAGCLRZBT-GOSISDBHSA-N 353.397 2.768 0 50 FFAA O=C(C1CCCCC1)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2 169779857 QKEGPFTWTCNCKX-UHFFFAOYSA-N 360.433 2.759 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1c2c(nc3onc(C)c13)CCC2 1857678933 MPABJWPGFGRTCY-GZNWPSJOSA-N 369.421 2.878 0 50 FFAA COc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(N)=O)C3)cc1 1857698175 GTKLXNVJMMIONR-LRXVAGHRSA-N 364.445 2.787 0 50 FFAA Cc1ccc(F)cc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1875250018 RPMXORFAACRQGB-WIYYLYMNSA-N 371.408 2.655 0 50 FFAA CCc1nnc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)o1 213223770 GEIVNPVSBZWOFT-MSOLQXFVSA-N 368.481 2.688 0 50 FFAA O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCOCC12CCC2 123675571 IGTPFAQTWOOURY-UHFFFAOYSA-N 351.346 2.529 0 50 FFAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N[C@@H]1CCc2[nH]ncc2C1 164384447 BZKAHRZLQPPXOQ-WDYCEAGBSA-N 354.454 2.734 0 50 FFAA Cc1ccc2ccnc(NC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)c2c1 824328570 VMSVZNQQVSFHBY-STQMWFEESA-N 351.328 2.796 0 50 FFAA O=C([C@H]1CCOc2ccc(Cl)cc21)N1CCn2c(nnc2C2CC2)C1 1875259982 DYJMEXPZDJXQSR-ZDUSSCGKSA-N 358.829 2.717 0 50 FFAA Cc1cc(C(=O)N2CCC(NC(=O)c3c[nH]nc3C(C)C)CC2)oc1C 1875344967 QISVHPHNHCXHEL-UHFFFAOYSA-N 358.442 2.778 0 50 FFAA O=C(NCCC12CC(CO1)C2)c1c[nH]c2c(F)c(Cl)ccc2c1=O 1875342925 NFDLOGOVNSSTHL-UHFFFAOYSA-N 350.777 2.620 0 50 FFAA NCC[C@H]1CN(Cc2ccc(Br)c3cccnc23)CCO1 1875307990 OLEWKHUZGXZGSQ-ZDUSSCGKSA-N 350.260 2.547 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cncc(C(F)(F)F)c1 1875314908 ZKNWGQLIMJWYPJ-ZJUUUORDSA-N 368.359 2.786 0 50 FFAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 2100557510 WIBSLHHQHYZYLC-SNVBAGLBSA-N 352.360 2.890 0 50 FFAA C[C@]1(CNC(=O)c2cnn3ccc(N)cc23)CCN(Cc2ccccc2)C1 2325795503 IZAXGQIDRRBHDN-OAQYLSRUSA-N 363.465 2.559 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@@H](O)[C@@]1(O)CCOC1 2325860808 VIYMIGWLPZQDCG-CGTJXYLNSA-N 357.878 2.538 0 50 FFAA Nc1nc(N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)[nH]c2ncnc1-2 2325865446 CMOSDAQLUSREEV-ZDUSSCGKSA-N 364.388 2.757 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C(=O)OCC)c1C 710274 YVGKSCKDZIMCLX-SNVBAGLBSA-N 355.412 2.527 0 50 FFAA COc1ccccc1CNC(=O)c1cc2c(s1)CCOC21CCNCC1 2356145779 WJWYCTSCVXZUBG-UHFFFAOYSA-N 372.490 2.838 0 50 FFAA Cc1n[nH]c(C)c1CN1CCC2(CC1)OCCc1cc(C(=O)O)sc12 2356161301 OULLUTAEZSEXPD-UHFFFAOYSA-N 361.467 2.850 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 4819546 KTQXNRYNNSWSPA-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(C)c2)c1 7389479 PVFMUEYNQJDUGS-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 414013903 JACRNBFCVSCJCH-AWEZNQCLSA-N 360.845 2.859 0 50 FFAA C[C@@H](NC(=O)N1CCC(N2CCCNC2=O)CC1)c1cccc(F)c1F 133592067 UHOULWYJRZAOEQ-GFCCVEGCSA-N 366.412 2.615 0 50 FFAA CC(=O)Nc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 112416018 VPXGJRIVUXPADK-INIZCTEOSA-N 370.384 2.711 0 50 FFAA COC(=O)N1CCC[C@@]2(CCN(Cc3cccc(-n4cccn4)c3)C2)C1 67691141 JYMAIIYBVDIXDH-FQEVSTJZSA-N 354.454 2.927 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@H](C)Cc3ccncc3)CCNCC2)cc1 65386040 SHGMFPKKEOYFDS-QGZVFWFLSA-N 353.466 2.638 0 50 FFAA Cn1ncc(NC(=O)Cn2cc(-c3ccc4cc(Cl)ccc4n3)cn2)n1 63847653 YBNVZLNJOLYMDC-UHFFFAOYSA-N 367.800 2.519 0 50 FFAA O=C(CCCn1cncn1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65397799 FRIOPQOEQGEQSY-HXUWFJFHSA-N 352.438 2.915 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)CCc3nc4ccccc4s3)C2)C1=O 67642437 UMODMWJTCLTWCR-IBGZPJMESA-N 357.479 2.700 0 50 FFAA COc1ccc(N[C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 12433054 OLINAFKJBHQTTQ-GOSISDBHSA-N 373.497 2.891 0 50 FFAA Cc1ccc2c(c1)CCN(C(=O)NC1CCN(C[C@@H]3CCOC3)CC1)C2 252483437 FBORSZUCSPGRRV-KRWDZBQOSA-N 357.498 2.564 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(=O)[nH]1 77453226 RZVCQPICAFWODI-UHFFFAOYSA-N 357.429 2.550 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 72168982 VZBXDWOFZOXYGH-IBGZPJMESA-N 354.425 2.902 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H](COc2ccc(F)cc2)C1 72476184 UCEPHKNVAZSKCV-CQSZACIVSA-N 370.424 2.934 0 50 FFAA C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@H]1CCNC1 430111853 VEGZQHDQSHMYRC-BFVZDQMLSA-N 355.301 2.958 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCn2cncn2)CCCN1Cc1ccc(F)cc1 72162682 OHMKQWHZSXRFKW-LJQANCHMSA-N 373.476 2.566 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 172022731 MHNFBCLGJHOPDL-URLQWDBASA-N 354.406 2.822 0 50 FFAA Cc1cc2occ(CC(=O)N3CCC[C@](O)(CO)CC3)c2cc1Cl 72142204 WOCORQAYXZUOJE-GOSISDBHSA-N 351.830 2.673 0 50 FFAA Cc1nc(N[C@@H]2CCCN(Cc3cccc(O)c3)C2)c2c(C)nn(C)c2n1 72430983 QOZQVPDJRBNJKC-MRXNPFEDSA-N 366.469 2.762 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCC[C@@H]1COc2ccccc2O1 215927759 QJQKMXKYRHZYKU-QGZVFWFLSA-N 363.417 2.896 0 50 FFAA C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CC1CCC(=O)CC1 333679457 KXAVZEFABVFHSQ-HNNXBMFYSA-N 364.511 2.979 0 50 FFAA CC[C@H](OC1CCCC1)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 172750456 BENABERKACZGQU-IBGZPJMESA-N 365.562 2.791 0 50 FFAA C[C@H](C(=O)N1CCc2c(F)cc(F)cc21)n1nnc(-c2ccccc2)n1 173618623 HJDYTEDNSYDHCX-LLVKDONJSA-N 355.348 2.769 0 50 FFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@H](Cn2ccnn2)C1 131514431 WPOCDSZGKZVBGY-IRXDYDNUSA-N 361.490 2.582 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc4ncccc4c3)C2)CN1CCCO 82109236 WAULGNYXBAWXQP-JOCHJYFZSA-N 367.493 2.822 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(OC)nc2ccccc12 82092373 UBIRKLLPZMCLFU-QGZVFWFLSA-N 355.438 2.716 0 50 FFAA CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1 20220101 XOKVCMNMNPYGPD-UHFFFAOYSA-N 363.255 2.755 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N(C)Cc1c[nH]nc1-c1ccccc1 223442763 SPMNOAKCRVAVNO-UHFFFAOYSA-N 365.437 2.780 0 50 FFAA Cc1nn(CCCNC(=O)Cn2c(C)cc(=O)c3ccccc32)c(C)c1C 223494748 ZXTWKOOTGBXABK-UHFFFAOYSA-N 366.465 2.638 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(-c2cn[nH]c2)c1 97172909 JDJNCVIWTXLUHJ-QGZVFWFLSA-N 364.405 2.704 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCCN(Cc3cccnc3)CC2)cc1 95506136 TVRQLNFBYKLSTA-UHFFFAOYSA-N 368.437 2.608 0 50 FFAA COc1ccc(C)cc1CS(=O)(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C 178304524 YNRXYCNWJGAQKE-DOTOQJQBSA-N 367.511 2.956 0 50 FFAA O=C(NCc1ccc(Cl)cc1Cl)N1CC[C@]2(CCCNC2=O)C1 91819625 LRSXCBVCOWIYHL-MRXNPFEDSA-N 356.253 2.805 0 50 FFAA COC(=O)c1coc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)n1 95520906 JRUSOOYJWDKZCG-KRWDZBQOSA-N 369.465 2.915 0 50 FFAA CCN1C[C@H](NC(=O)Nc2cccnc2Oc2ccc(F)cc2)[C@@H](OC)C1 97294655 VRYVCYUQQXUMHS-IRXDYDNUSA-N 374.416 2.854 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 95529674 BCLIDMMWFCXVEL-HNNXBMFYSA-N 352.442 2.746 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)NCC2(O)CCCCC2)c1 96150671 AYNVZAWRLKPTHN-UHFFFAOYSA-N 369.849 2.742 0 50 FFAA CC(C)Oc1cccc(CCNC(=O)c2ccccc2-c2nnn[nH]2)c1 97475494 QFJFPURVOCKGPC-UHFFFAOYSA-N 351.410 2.626 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@H]3CCCN(C4CCCC4)C3)CC2)no1 95379283 ULBYZCRHWSEMIU-KRWDZBQOSA-N 360.502 2.814 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C 95380425 IXQSCFWTFJICDY-KRWDZBQOSA-N 367.449 2.912 0 50 FFAA Cc1ccc2oc(CN3CCC4(CC3)[C@@H](C(=O)O)CC(=O)N4C)c(C)c2c1 95374065 AQOLPJMTLCPUEF-MRXNPFEDSA-N 370.449 2.947 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 91410811 PYNWYTWEVAIYPL-MRXNPFEDSA-N 356.466 2.684 0 50 FFAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)[nH]n1 162675161 RRYSMEXVEYNIGE-SNVBAGLBSA-N 362.459 2.704 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(c2ccncc2)CC1 91792935 XVTGOPXRWYVGAV-UHFFFAOYSA-N 354.502 2.970 0 50 FFAA CC1=CC[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]2C1 244787541 PZBSEZMYHOWEHZ-MOPGFXCFSA-N 353.466 2.749 0 50 FFAA CCCc1ccc([C@@H](C)NC(=O)CN2CCC3(CCC(=O)N3C)CC2)cc1 244842378 UPPWNRSNXWIYCZ-QGZVFWFLSA-N 371.525 2.903 0 50 FFAA COc1ccc(CNC(=O)CCN2CCC(c3n[nH]cc3C)CC2)cc1 252488518 IUBVOAXVZJLUSA-UHFFFAOYSA-N 356.470 2.613 0 50 FFAA CCCCNC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263618935 WFKZGXXPPIRASE-HNNXBMFYSA-N 355.486 2.741 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2cccc(-c3ccnc(C)c3)c2)CC1=O 299802495 XKUBMFUCKXUTJS-INIZCTEOSA-N 351.450 2.997 0 50 FFAA CC(C)(C)N1CC[C@H](CNC(=O)N2CCC(OCc3ccccn3)CC2)C1 584891045 SLGCJGFJLHCYDF-QGZVFWFLSA-N 374.529 2.893 0 50 FFAA Cc1nc(-c2cccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)c2)n(C)n1 584902905 KGUNVCTUJBVXRF-LJQANCHMSA-N 364.449 2.986 0 50 FFAA COCC1CCN(S(=O)(=O)N[C@H](c2ccccc2)c2ccco2)CC1 670448142 WCAOCTIBIVKMOZ-GOSISDBHSA-N 364.467 2.562 0 50 FFAA CCNc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 1349509469 SXMMTWGJACMEGN-OKILXGFUSA-N 355.442 2.774 0 50 FFAA COc1cc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc(OC)c1 952988542 OVHSNPZMTANARU-BANKROOTSA-N 369.469 2.528 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2[nH]1 952989224 UAUTYTCZRUEKRT-CYBMUJFWSA-N 366.421 2.705 0 50 FFAA Cc1ccc(N2C[C@@H](NC(=O)C3(N4CCCC4)CCCC3)CC2=O)cc1 952869178 YFZPWUDLHYIOGS-KRWDZBQOSA-N 355.482 2.625 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1ccc2ncsc2c1 1565515089 BPJLNBFQPKVGPD-ZFWWWQNUSA-N 355.419 2.658 0 50 FFAA CN1CCN(C(=O)Nc2ccc(-c3ncco3)cc2)C[C@@H]1c1nccn1C 275720434 HIPLUAHTDVVPKI-MRXNPFEDSA-N 366.425 2.596 0 50 FFAA O=C(c1ccn(-c2ccccc2)n1)N1CCN(c2cccc(F)c2)C(=O)C1 170596189 JIPPLNHGTHOTDX-UHFFFAOYSA-N 364.380 2.500 0 50 FFAA CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2COCCN2CC2CCC2)c1 188254741 OIIADTOBFFRSNQ-KRWDZBQOSA-N 365.861 2.738 0 50 FFAA Cc1noc(CN(C)S(=O)(=O)c2ccc(-c3c(C)noc3C)s2)n1 1506414646 HOSIQWUTLODFSI-UHFFFAOYSA-N 368.440 2.532 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccnn1[C@@H](C)c1ccccc1 1529147105 UHOXBBLTVIMZII-INIZCTEOSA-N 350.422 2.991 0 50 FFAA COCCN1CCC(CN(C)c2noc(-c3ccccc3)c2C(=O)O)CC1 1704312765 YYIIQWVZIBWUQT-UHFFFAOYSA-N 373.453 2.834 0 50 FFAA Cc1nc[nH]c1CN(CCO)C(=O)c1ccc(N2CCCC2)c(Cl)c1 1704314357 PIQHXDKBEPCZTR-UHFFFAOYSA-N 362.861 2.606 0 50 FFAA O[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1Cc1ccncc1 1704326155 YVSFWSYIAMYSHI-GGAORHGYSA-N 365.521 2.624 0 50 FFAA Cn1c(CNC(=O)c2ccc3c[nH]nc3n2)nc2cc(C(F)(F)F)ccc21 1775981432 TZMVYMWRBLVTQG-UHFFFAOYSA-N 374.326 2.793 0 50 FFAA Cc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc1N1CCCC1=O 11760016 OWVACWUZWJGADK-HNNXBMFYSA-N 369.465 2.851 0 50 FFAA CC(=O)C(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 12315511 FPIALPDIKLVXCR-IBGZPJMESA-N 363.546 2.545 0 50 FFAA CN(Cc1ncc[nH]1)C(=O)CCc1nnc(CCCCc2ccccc2)o1 12433356 RQMIZTAPIRMRSW-UHFFFAOYSA-N 367.453 2.949 0 50 FFAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2c[nH]cn2)C1 12447394 JAYQXHRPENWBTP-FQEVSTJZSA-N 355.438 2.828 0 50 FFAA COc1cccc(C(=O)NCc2nnc(SCC(C)C)n2C)c1OC 14983351 VNEBKQFGJXZFCA-UHFFFAOYSA-N 364.471 2.510 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)CC[C@H]3CCCCO3)no2)cn1 15069537 ACLCXTKOPYUSOU-OAHLLOKOSA-N 359.426 2.988 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 16579511 AZVUZDKLWUGGAN-UHFFFAOYSA-N 360.479 2.656 0 50 FFAA Cc1cccc(OCC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c1 1857721101 YUYQTKSMIHHGIE-UNMCSNQZSA-N 368.477 2.904 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(c4nccs4)C[C@]34CC[C@H]2O4)CCCC1 1857738433 HPGHMWASRCDNDP-NRTGNBEESA-N 361.511 2.823 0 50 FFAA Cc1nc(-c2ccc(NC(=O)c3ccc4nnn(C)c4c3)cc2Cl)n[nH]1 119732388 MOYAXTCOBCMKPJ-UHFFFAOYSA-N 367.800 2.968 0 50 FFAA CC(C)N(CC(F)(F)F)C(=O)CN1C[C@H](C)C(=O)Nc2ccccc21 331423667 LVLCMKVEJYQDMU-LBPRGKRZSA-N 357.376 2.881 0 50 FFAA CCOc1ccncc1S(=O)(=O)N(C)[C@H]1C[C@@H](OCC)C12CCCC2 253428378 JKNQCFAPYCIMDW-DLBZAZTESA-N 368.499 2.839 0 50 FFAA CC(C)Oc1cncc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 155839617 GZDSHCWFDOBQGZ-CQSZACIVSA-N 360.845 2.926 0 50 FFAA Cc1nnc(CN2CCN(c3nc(Cl)cc4ccccc34)CC2)n1C 1875336925 KDVQEKSHDXCKOJ-UHFFFAOYSA-N 356.861 2.647 0 50 FFAA Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](O)C2)cc(-c2ccccc2)c1 1875307021 HFMJAWHJFFWGNS-KXBFYZLASA-N 352.434 2.878 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1 1875399870 LEZKKDVXFHEPPH-ATZDWAIDSA-N 351.454 2.511 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@H]1CCN(c2ccccc2F)C1 886054781 QPGKUXXSASFQHN-AWEZNQCLSA-N 351.385 2.871 0 50 FFAA Cc1cc(NC(=O)N2CCN(S(C)(=O)=O)C[C@H]2C)c2ccccc2c1 2325781576 KLFBABNDVBUUTL-CQSZACIVSA-N 361.467 2.646 0 50 FFAA Cc1cccc2c1c(CCNS(=O)(=O)C1C[C@H]3[C@H](C1)C3(F)F)cn2C 2325782875 LJZJVCWPRVBALP-GJZGRUSLSA-N 368.449 2.992 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)c2c1 2325785760 MKXQFELSURTBDG-CDHQVMDDSA-N 366.465 2.561 0 50 FFAA COCCc1nc(-c2cnn3c2CCC[C@H]3C)n([C@H]2CCOC2(C)C)n1 2325849240 JJGUZKKCUSRLFN-CJNGLKHVSA-N 359.474 2.968 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(OC)cc2Br)CC1 2325885105 SXDGHZUUKCKZPT-UHFFFAOYSA-N 367.243 2.821 0 50 FFAA Cc1ccc(C)c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 655120 RNODKDQYEOMDAY-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1119614 QPKQISWSUUQXGE-UHFFFAOYSA-N 359.234 2.910 0 50 FFAA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)cc2)NC(=S)N1 1462040 HEABQBNTRZDIKX-KRWDZBQOSA-N 354.431 2.928 0 50 FFAA Cn1nnnc1SCCNCc1ccccc1OCc1ccccc1 2181816 XQODSJBZAFNXFQ-UHFFFAOYSA-N 355.467 2.671 0 50 FFAA CN1CCC[C@]2(CCCN2Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1=O 2356164383 QSGHEMVAXOAZTI-IBGZPJMESA-N 359.857 2.768 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc2ncsc12 2356165374 FQPGUDUKOBPYEA-UHFFFAOYSA-N 358.467 2.706 0 50 FFAA O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NC1CCCC1 2884250 UGWCASVPMDVUQK-UHFFFAOYSA-N 374.462 2.925 0 50 FFAA Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)ccc1Br 4610804 QBKHHYZNQWXSRI-MSERBFRVSA-N 350.212 2.894 0 50 FFAA O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1cccc2ccccc12 4736645 GAAJZDHGBXYJQX-VQIMIIECSA-N 352.434 2.709 0 50 FFAA COc1ccc(-c2noc(CNC(=O)COc3cccc(C)c3)n2)cc1 4843331 GPQVBEFQTZFBJB-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA COc1ccccc1C(=O)N(Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 4868356 KVJSIBTXBABFGO-QGZVFWFLSA-N 373.474 2.833 0 50 FFAA CC1=C(C)C[C@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C(=O)O)C1 6699449 BIWKGQZHLMGLGB-OALUTQOASA-N 374.456 2.917 0 50 FFAA COc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100729683 MLJFGEAJQYNJQU-STQMWFEESA-N 362.813 2.542 0 50 FFAA CCC(=O)Nc1cccc(OCC(=O)N(C)[C@H](COC)c2ccccn2)c1 55154636 YZOYVXHZYKKYEW-GOSISDBHSA-N 371.437 2.655 0 50 FFAA Cc1ccnc(NCCNC(=O)c2ccc(NC(=O)C3CCC3)cc2)c1 55107526 CTSZFGUADWEVQT-UHFFFAOYSA-N 352.438 2.971 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)[C@@H](CCO)C3)c(C)o2)c(C)c1C 106971005 NHVMVMAMJQBWDH-KRWDZBQOSA-N 373.497 2.774 0 50 FFAA Cc1ccccc1-c1nc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 20419136 YJYWYADEWMMDLY-GOSISDBHSA-N 371.506 2.942 0 50 FFAA Cc1c([C@@H](C)NC2CCN(C(=O)C(C)C)CC2)cnn1-c1ccccn1 134155172 NLXCGZCOPKMDIS-OAHLLOKOSA-N 355.486 2.873 0 50 FFAA COc1ncccc1NC(=O)C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 134360835 LCBKGOYJJULFIJ-HRAATJIYSA-N 365.433 2.957 0 50 FFAA O=C([C@H]1C=CCN1)N1CCC(c2cc(-c3ccccc3Cl)[nH]n2)CC1 67695599 YUDNJWBLWJUFBR-MRXNPFEDSA-N 356.857 2.964 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCN3)[nH]c2-c2ccccn2)cc1 67847657 PKDZWOOBBXGMGL-KRWDZBQOSA-N 361.449 2.815 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67473468 IUTGQITVUUDGOS-MRXNPFEDSA-N 354.454 2.555 0 50 FFAA COc1ccc2cc(C(=O)N3CC[C@](O)(c4ccccc4)C3)n(C)c2c1 65373375 FZJNIQBRLJJTEF-OAQYLSRUSA-N 350.418 2.921 0 50 FFAA Cc1cccc(CCNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 67724784 PYVJQSGFSSPCDC-QFIPXVFZSA-N 373.541 2.846 0 50 FFAA C[C@@H](NC(=O)[C@@H](c1cncn1C)N(C)C)c1cccc(N2CCCC2)c1 281021848 OLROJIJDCYQTSD-DNVCBOLYSA-N 355.486 2.500 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cc(C)nn3C)cn2)cc1 2808639 FHFMKIGLNXYDHA-UHFFFAOYSA-N 365.466 2.818 0 50 FFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 72154252 BMQRSWSHWITHLC-UHFFFAOYSA-N 370.844 2.853 0 50 FFAA O=S(=O)(c1cnc2ccc(F)cc2c1)N1CCC[C@H]1CN1CCCC1 329962644 SGAROPMPYJOGPB-INIZCTEOSA-N 363.458 2.623 0 50 FFAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)c1ccc(Oc2ccccc2)o1 72470795 GRLCOTNXKRFEBJ-INIZCTEOSA-N 353.334 2.619 0 50 FFAA Cc1[nH]c2c(CN3CCCO[C@@H](CN4CCOCC4)C3)cccc2c1C 215441257 RLAJZZBXJJXXCZ-IBGZPJMESA-N 357.498 2.708 0 50 FFAA C[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 253432683 MQDADZGFFDENIW-WDEREUQCSA-N 362.854 2.616 0 50 FFAA CC[C@H](C)n1ncc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1C 331588999 GTWRBEQKOBBJGT-JSGCOSHPSA-N 357.462 2.946 0 50 FFAA CCNC(=O)c1cc(NC(=O)c2cc(C)nn2CC)nc2ccccc12 152538297 QHWHNYNETBOAIT-UHFFFAOYSA-N 351.410 2.762 0 50 FFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3nncn3c2)CC1 172798673 AYVAEOSMAJUWIW-AWEZNQCLSA-N 369.856 2.902 0 50 FFAA O=C([C@@H]1CCCN1C1CCOCC1)N1CCC(Cc2ccccn2)CC1 367298627 LRGIRLOFUQJGTB-FQEVSTJZSA-N 357.498 2.506 0 50 FFAA CCc1noc(-c2ccc(CCNC(=O)[C@@H](N)Cc3ccccc3)cc2)n1 237075036 DPXUZKZPRYTOEC-SFHVURJKSA-N 364.449 2.528 0 50 FFAA Cc1nc(CN2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)co1 77459866 QMTNGCJCHWCDMV-UHFFFAOYSA-N 370.501 2.885 0 50 FFAA CC1CCN(C(=O)NC[C@@H](NC(=O)N2CCC(C)CC2)C2CC2)CC1 333445816 KUDACHPPFYVDOC-QGZVFWFLSA-N 350.507 2.648 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CCC(=O)O)[nH]n2)cc1 237403442 UYVPWLOUDZGMKG-CQSZACIVSA-N 357.410 2.945 0 50 FFAA c1cc2c(cc1CN1CCN([C@H]3CCCN(CC4CCC4)C3)CC1)OCO2 72162471 NJQLQPYQSACKSZ-FQEVSTJZSA-N 371.525 2.797 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)N3CCCCC3)CC2)n1 72424604 HMELCTWFWKGPKV-UHFFFAOYSA-N 362.474 2.662 0 50 FFAA CN1CCC(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 216015313 JRROSIZDNGBBSB-UHFFFAOYSA-N 355.404 2.557 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)NC2CCN(c3ccccc3OC)CC2)C1 174458575 ROFWLWWHHYPIRP-SFHVURJKSA-N 374.529 2.790 0 50 FFAA CN(C)CCOc1ccccc1C(=O)N1CC[C@H](O)c2ccccc2C1 378520412 LLFUSKLMSUIPBM-IBGZPJMESA-N 354.450 2.707 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)n[nH]1 43022847 SXVDIZKYNDZGTD-OAQYLSRUSA-N 356.514 2.677 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)N[C@@H](c1nccn1C)C(C)C 97522091 UJSUNPZSACIIAP-QGZVFWFLSA-N 357.458 2.618 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nc2ccccc2[nH]1 91871684 YTXIVFIFSNFUGN-ZDUSSCGKSA-N 354.454 2.779 0 50 FFAA CCc1cnc(C)nc1N1CCC(NCCc2nc(C)cc(C)n2)CC1 95390902 LLHMGGYUOHTZDL-UHFFFAOYSA-N 354.502 2.555 0 50 FFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 95387803 RRMHSHLCHRLIQH-CQSZACIVSA-N 370.371 2.603 0 50 FFAA O=C(Cn1ncn2cccc2c1=O)N(Cc1ccsc1)C1CCCC1 95499570 ZUPHJNOJEWMAQP-UHFFFAOYSA-N 356.451 2.529 0 50 FFAA Cc1cc(C)c(C(=O)NCc2csc(Cc3ccccc3)n2)c(=O)[nH]1 92065078 WDPXHTGTEBANDR-UHFFFAOYSA-N 353.447 2.969 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 91858279 RVTADDAPPQBICY-HNNXBMFYSA-N 357.479 2.758 0 50 FFAA C[C@H](C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 91665445 BGGSDJOFVYIFMQ-OAHLLOKOSA-N 373.526 2.578 0 50 FFAA Cc1cc(N2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)ncn1 91706590 SRXDSHBFATXKOK-UHFFFAOYSA-N 351.454 2.589 0 50 FFAA CCc1nc(N)sc1C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 95392329 OLRFGKPQEZNRCO-UHFFFAOYSA-N 374.514 2.625 0 50 FFAA CC(C)Cc1ccc(CN2CCC3(CC2)[C@@H](OCCO)C[C@H]3O)s1 91469012 FRWMXGMGSPHILU-MSOLQXFVSA-N 353.528 2.671 0 50 FFAA Cc1cn2c(=O)cc(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)nc2s1 95376471 YZRGOPHMHHYRDN-FUHWJXTLSA-N 372.538 2.761 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)n1[C@@H](C)c1ccccc1 237638724 OPYIERXDAYTHAS-KBXCAEBGSA-N 356.422 2.640 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2cc(C3CC3)nc3ccccc23)[C@H]2CCO[C@H]21 1074606240 ZWTSSOFOJJKWDF-MWHZBGGUSA-N 352.434 2.892 0 50 FFAA CCc1nc(C)c(CNC(=O)c2ccc(CSc3nnc[nH]3)o2)s1 240228148 KGRMHCAQPDQZBO-UHFFFAOYSA-N 363.468 2.947 0 50 FFAA CN(C)C(=O)COc1ccccc1CNc1cccc2c1OCC[C@H]2O 184072679 IRHYOACIKLVXNU-QGZVFWFLSA-N 356.422 2.582 0 50 FFAA CCOc1c(CNC(=O)N2CCC3(CCN(C)CC3)C2)cccc1OC 534590869 JFJAKPCZJFQNEA-UHFFFAOYSA-N 361.486 2.721 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)N[C@H](c1nccn1C)C1CC1 534577289 BQQHWBAHEDVKGF-INIZCTEOSA-N 356.405 2.728 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)NCc2cc(CC(C)C)no2)c1 299790348 BLUAQFSHBTVUQA-UHFFFAOYSA-N 361.398 2.990 0 50 FFAA COc1c[nH]c(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1=O 670445322 UCSXPBCUHSAQFX-FQEVSTJZSA-N 363.417 2.915 0 50 FFAA CCc1nccn1CCC(=O)N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 952863019 UGCGUQXLEUGADO-MRXNPFEDSA-N 363.483 2.507 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)c1sc(C(C)C)nc1C 952981837 YJIHSYZLWBYEHO-UHFFFAOYSA-N 358.427 2.812 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 274785382 KVKLDKCXJSYWIN-UHFFFAOYSA-N 365.355 2.867 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 276413955 KZSVPEPBQSTTNF-SFHVURJKSA-N 361.449 2.559 0 50 FFAA Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H](CN)c3ccccc3)c2)n1 170677414 UWPKSBCATUCAQO-OAQYLSRUSA-N 362.477 2.907 0 50 FFAA COc1ccc(Cl)cc1[C@H](C(=O)O)N1CCC(c2n[nH]c(C)n2)CC1 1506403873 URAWYKAKDLCBFK-OAHLLOKOSA-N 364.833 2.780 0 50 FFAA CCc1ccccc1CN1C[C@H]2CN(c3cccc(C)n3)C[C@]2(CO)C1 1772807531 OMFVXYXXWSSHDY-UNMCSNQZSA-N 351.494 2.883 0 50 FFAA COCCN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11843032 UUNBFTNHXNLPJF-AWEZNQCLSA-N 372.387 2.549 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1cccn1 12072804 CXYAYQYKAAQPNN-LJQANCHMSA-N 372.488 2.825 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)c3csc(-c4cccs4)n3)C2)C1=O 12090319 RFKOBAPASYICJN-QGZVFWFLSA-N 361.492 2.956 0 50 FFAA Cc1c(C(=O)N[C@@H](C)CO)sc2ncnc(NCCc3ccccc3)c12 14993887 HMQTYFWGAHLSGF-LBPRGKRZSA-N 370.478 2.765 0 50 FFAA Cc1cccc(-n2ccnc2CN2CCC[C@@H](N3CCC(CO)CC3)C2)c1 19839601 FYVXIPIFEBKQLN-OAQYLSRUSA-N 368.525 2.849 0 50 FFAA COc1cccc(-c2nccn2CCC(C)(C)O)c1OCCn1ccnc1 1857716208 BOCSWSDDJBSREI-UHFFFAOYSA-N 370.453 2.995 0 50 FFAA CC(C)=CCN1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875239828 BWWAUQGMWKRYEO-HXUWFJFHSA-N 371.525 2.845 0 50 FFAA Cc1ccc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c2cccnc12 408133172 MZRWPRHOABMXBW-HOTGVXAUSA-N 362.495 2.961 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 248190536 KMVBJZRNYZLXFY-AEFFLSMTSA-N 374.529 2.742 0 50 FFAA O=C(N[C@@H]1CCc2c(O)cccc21)[C@@H]1CCN(c2ccc(F)cc2)C1=O 264930366 NPAJAOIBKQYLKD-DLBZAZTESA-N 354.381 2.688 0 50 FFAA c1ccc(-c2n[nH]c(CCNc3nccc(N[C@H]4CCCOC4)n3)n2)cc1 811830198 FCGZBERPZAHKJI-HNNXBMFYSA-N 365.441 2.507 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)CC1 1875386203 LBJFEWQGBKVHOV-UHFFFAOYSA-N 356.441 2.931 0 50 FFAA C[C@H](NC(=O)[C@H](N)Cc1n[nH]c2ccccc12)c1cccc2cccnc12 1875348121 XXMCHCAQJUXUKG-SUMWQHHRSA-N 359.433 2.858 0 50 FFAA Cc1ccccc1C1(C(=O)N[C@@H](Cc2ccccc2O)C(=O)O)CCC1 1875354315 DJIFBIRXDZAEIG-KRWDZBQOSA-N 353.418 2.934 0 50 FFAA COC(=O)c1cc2ccccc2cc1OC[C@H]1C[N@]1Cc1cnn(C)c1 1875385364 ROLFYLLPXPWVQX-HXOBKFHXSA-N 351.406 2.623 0 50 FFAA Cc1nc(C(=O)N(C)CCC2CCCCC2)nc(N2CC[C@@H](N)C2)c1C 1875301087 DGEJXINRUZLTHD-QGZVFWFLSA-N 359.518 2.673 0 50 FFAA O=C(Cc1cc(C(F)(F)F)co1)N1CC[C@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875400903 CBDFBUCPJHAPGN-DGCLKSJQSA-N 370.331 2.664 0 50 FFAA Cn1ncc(CCC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)n1 888092769 ZRTUUPOEZGAOGH-UHFFFAOYSA-N 373.404 2.629 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cnnc2)ccc1Cl 1051663 LCJOVXAFXOHVRN-UHFFFAOYSA-N 356.769 2.579 0 50 FFAA Brc1cccc(-c2noc(CN3CCCNCCC3)n2)c1 2325769843 XCKFFIABEPHUGI-UHFFFAOYSA-N 351.248 2.685 0 50 FFAA Cc1cccn2c(CC(=O)NC[C@H](N)c3cc(F)cc(Cl)c3)cnc12 2325858422 MHHFTHFCUGNQIJ-INIZCTEOSA-N 360.820 2.794 0 50 FFAA CCCCC(=O)N[C@H](C)C[C@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868420 ZAAQNUIZWKALBI-CIQAELJKSA-N 351.535 2.839 0 50 FFAA COc1ccc(Cn2nc(COC(C)C)nc2-c2nn[nH]c2Cl)cc1 2325876240 OBSSOCGTPCTFNX-UHFFFAOYSA-N 362.821 2.699 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)CN(C)C(=O)N3)C(=O)O)c1 2325877735 ZABWZQDSQZBJIA-MRXNPFEDSA-N 353.378 2.528 0 50 FFAA CN(Cc1nc(O)n[nH]1)c1nc2cc(F)c(Br)cc2s1 2325879305 QBPPMQIYITVWOI-UHFFFAOYSA-N 358.196 2.658 0 50 FFAA CSc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)c1 1065511 PBNXESNESSTYFZ-GFCCVEGCSA-N 350.465 2.714 0 50 FFAA O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ncccn2)CC1 2857223 LEWWUZSZIJVELB-UHFFFAOYSA-N 351.332 2.850 0 50 FFAA CCCCNCc1cc(OCC)c(OCC(N)=O)cc1Br 2863797 WMKSEHYOJDVULD-UHFFFAOYSA-N 359.264 2.602 0 50 FFAA NC(=O)[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 225406050 MEUHAJOIPRFJQM-LALPHHSUSA-N 372.248 2.921 0 50 FFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cnc2ccccc2n1 225505257 NETYRIDRBMRYLR-SFHVURJKSA-N 352.419 2.741 0 50 FFAA CN1CC[C@H](NC(=O)c2cccnc2SC/C=C/c2ccccc2)C1=O 55108686 BATOUWUXEOGLBS-NADMHLTPSA-N 367.474 2.848 0 50 FFAA C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1n[nH]c2c1c(-c1ccccc1)nn2C 280157950 ODKPJYYGMRJPEC-DGCLKSJQSA-N 351.410 2.907 0 50 FFAA Cc1ccc(NC(=O)CC(=O)NCc2ccc3c(c2)OCCCO3)cc1 55360649 STHNRSUBJNFLJO-UHFFFAOYSA-N 354.406 2.801 0 50 FFAA COc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(Cl)c1OC 20774441 FHOACDQBTJOUFK-INIZCTEOSA-N 370.921 2.882 0 50 FFAA O=C(c1cnc2ccccc2n1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 20854510 NTFBQMOTPWOTFR-LJQANCHMSA-N 356.389 2.536 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)C2CCC2)CCO3)n1 67770499 MYNKKHSCEXSRIY-UHFFFAOYSA-N 353.422 2.987 0 50 FFAA Cc1nc2c(c(NCc3ccc(CN4CCCC4)cc3)n1)CCNCC2 63882467 JJEDCLSMNQKADH-UHFFFAOYSA-N 351.498 2.681 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 20637854 FVGNFIJUKLPLPN-UHFFFAOYSA-N 362.433 2.502 0 50 FFAA O=C(CCc1cccc(Cl)c1)N1CCCC[C@@H]1CN1CCOCC1 110956350 CXIIMESHAXAZAL-GOSISDBHSA-N 350.890 2.986 0 50 FFAA C[C@@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2ccncc2)no1 65462593 BTCUXHRVXRXREI-GFCCVEGCSA-N 361.409 2.749 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NC[C@@H](O)c2ccccc2)no1 67694679 WGDSQCNLEYWMHL-HXUWFJFHSA-N 365.433 2.770 0 50 FFAA Cc1cccc(-n2nc(-c3ccccc3)nc2[C@@H](C)NS(C)(=O)=O)c1 65417683 KHAAWGQCEIQWFU-CQSZACIVSA-N 356.451 2.853 0 50 FFAA CC(C)N1CCCn2nc(C(=O)NC[C@H]3OCCc4ccccc43)cc2C1 65423951 ZXKMMZQXLULBDY-HXUWFJFHSA-N 368.481 2.541 0 50 FFAA O=C(c1cccs1)[C@@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 63856597 GOCKQRFGMCTNSA-CYBMUJFWSA-N 369.446 2.513 0 50 FFAA Cc1noc(-c2ccc(N3CCN(Cc4ccc(O)c(C)c4)CC3)nc2)n1 65421940 VVVCOMITWFFIDP-UHFFFAOYSA-N 365.437 2.776 0 50 FFAA CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2C(F)(F)F)[C@]1(C)O 4786477 KFQVPIDRMXRPMB-OAHLLOKOSA-N 360.332 2.973 0 50 FFAA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H]2CO2)cc1 5357708 NBLIPZBCGXIEFO-PXNSSMCTSA-N 358.434 2.522 0 50 FFAA biogenic,in-vitro C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)C1 120316158 BKTSBTMHYFYLQR-VIFPVBQESA-N 366.361 2.792 0 50 FFAA Cc1ccc(OCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cc1 72129265 VNWGDKXJZUFIEI-UHFFFAOYSA-N 364.445 2.911 0 50 FFAA c1ccc(-c2cc(Cn3ccnc3-c3cc4n(n3)CCCNC4)no2)cc1 72479944 WMYPBUVXWKVJMX-UHFFFAOYSA-N 360.421 2.943 0 50 FFAA O=C(O)C1(n2ccnc2)CCN(Cc2ccc3cc(F)ccc3n2)CC1 72475943 XUVVZDNWQLBYKO-UHFFFAOYSA-N 354.385 2.646 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@H]1c1cccc(F)c1F 121284427 YOCXTFZYHGDWKX-YUELXQCFSA-N 358.392 2.644 0 50 FFAA Cc1ccccc1S(=O)(=O)n1cc(OC(=O)c2cccs2)cc1N 253428182 PJSOHQTVBSPUIP-UHFFFAOYSA-N 362.432 2.896 0 50 FFAA Cc1nc(Cl)cc(N2CCOC[C@@H]2c2ncnn2-c2ccccc2)n1 253419225 BDMILCYBPAVKAJ-CQSZACIVSA-N 356.817 2.597 0 50 FFAA FC(F)(F)c1ccnc(NCCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 121901707 QLHOJJKRPADIAJ-YUTCNCBUSA-N 356.392 2.845 0 50 FFAA Cc1c(CN2CCC(NS(C)(=O)=O)CC2)[nH]c2c(Cl)cccc12 215268174 SALWYBGFCZAFKD-UHFFFAOYSA-N 355.891 2.643 0 50 FFAA NC[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 428516472 MSPAJLYRCDCVTF-LLVKDONJSA-N 370.350 2.841 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncc(Br)cn2)cn1 328618504 DTSQVCKXJNTJIM-QWHCGFSZSA-N 352.236 2.788 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccn(C3CC3)c1=O)CC2 328625481 DEOHRLYGKVCWCR-OAHLLOKOSA-N 371.510 2.526 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCOC[C@H]1OCc1cscn1 219126049 BSJOOZHPONWHRV-QZTJIDSGSA-N 371.462 2.657 0 50 FFAA CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)s1 77437104 FTERGQGGRUGUFS-RTBURBONSA-N 373.522 2.707 0 50 FFAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1CCc2nccn2C1 364604444 URJPIHCMKLORPC-LLVKDONJSA-N 357.364 2.763 0 50 FFAA CN1CCN(CCOc2ccccc2CN2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)CC1 71753194 XZDFLMSSHKZEPO-ZIEJVCCYSA-N 369.553 2.791 0 50 FFAA CCCc1cnc(C)nc1N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 72457916 NEBKFGGBZKZDFF-OAQYLSRUSA-N 373.545 2.508 0 50 FFAA O=C(COc1ccc(Cl)c2ccccc12)N[C@]1(C(=O)O)CCSC1 262146072 LIOQHWJDTYTDQU-QGZVFWFLSA-N 365.838 2.949 0 50 FFAA Cc1cc(C)cc(N2CCN(Cc3cn(-c4ccccc4)nn3)CC2=O)c1 72143709 ICOJWCUYKFYQNE-UHFFFAOYSA-N 361.449 2.733 0 50 FFAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)COc3ccc(Cl)cc3)C2)c1 72168914 QKEAYGNYVLPDQM-HNNXBMFYSA-N 372.852 2.909 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3cccc(Cl)c3)ncn2)n1 72446901 CEAVZFAZUWWJOJ-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA O=C(c1cc2ccccc2c(O)n1)N1CC[C@](O)(c2ccc(F)cc2)C1 375018513 JTYKOMVPLJASCL-HXUWFJFHSA-N 352.365 2.813 0 50 FFAA COc1cc(N2CCC[C@H](c3cc(N4CCCC4)nc(C)n3)C2)ncn1 72454623 SGRYXCYXGJIELT-HNNXBMFYSA-N 354.458 2.568 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)NCc1nc(-c2ccccc2)no1 43996618 WQNDTBXPTOYPLY-UHFFFAOYSA-N 351.362 2.714 0 50 FFAA COCCn1ccc2nc3nc(C)nn3c(-c3cccc(Cl)c3)c2c1=O 40398498 PSPYPWZVBXAYCG-UHFFFAOYSA-N 369.812 2.714 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)OC(C)C)C3)CCC2=O)cn1 82138559 QCBIUJVHBVASKY-LJQANCHMSA-N 360.458 2.535 0 50 FFAA COc1ccc(N2C[C@H](C)N(C(=O)CCOc3ccccc3)CC2=O)cc1 82108553 OFTXDNBEVFLRQD-INIZCTEOSA-N 368.433 2.728 0 50 FFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 226888874 JJPOBFQKVTVHJJ-OLMMMNRUSA-N 361.825 2.970 0 50 FFAA CCc1cc(N2CCC(NC(=O)c3cc(F)ccc3OC)CC2)ncn1 177160896 ICOBINGQXHQPLT-UHFFFAOYSA-N 358.417 2.586 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCn1c(C)cc(C)nc1=O 426588889 GQWAKYXBZAJRPL-QGZVFWFLSA-N 369.465 2.977 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)NCCc1cn2ccsc2n1 426594750 ACOBMNCVZIVGED-UHFFFAOYSA-N 359.455 2.647 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)NC2c3ccccc3-c3ccccc32)C1 426473619 OWNHNUAMOKIILJ-MRXNPFEDSA-N 365.477 2.976 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237733498 QLKRBVCDXAIIRN-LBPRGKRZSA-N 362.455 2.569 0 50 FFAA Cc1ccc(-c2ccccc2CN2C[C@@H](CN3CCOCC3)[C@@H](CO)C2)o1 92045647 MKRMBWFELIQPGH-WOJBJXKFSA-N 370.493 2.628 0 50 FFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H]3C)cc2)CC1 95507728 OWIMVSLXPZLDLN-INIZCTEOSA-N 374.481 2.717 0 50 FFAA O=C1Cc2cc(NC(=O)NCCN3CC[C@@H](c4ccccc4)C3)ccc2N1 95519830 GKOORLFCOFGNGN-MRXNPFEDSA-N 364.449 2.792 0 50 FFAA CC(C)(C)c1cc(NC(=O)N[C@@H]2C=CS(=O)(=O)C2)n(-c2ccccc2)n1 97323939 ULRWORDOJQXNJL-CYBMUJFWSA-N 374.466 2.602 0 50 FFAA OCc1ccnc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 95525777 YVHOVYJGJUZHCZ-HNNXBMFYSA-N 355.467 2.659 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCN(C2CCCCC2)CC1 97569026 IVYSIGDEZRPNFX-UHFFFAOYSA-N 351.454 2.629 0 50 FFAA O=C(C1CCC1)N1CC[C@]2(O)CCN(Cc3ccc(F)cc3F)C[C@@H]2C1 91486844 VJPCFOHDGVGJEG-OXQOHEQNSA-N 364.436 2.550 0 50 FFAA O=C(NCCSc1ccccn1)c1ccc(-c2ccccc2)[nH]c1=O 96164891 QLOPPNUCYGGWTC-UHFFFAOYSA-N 351.431 2.959 0 50 FFAA Nc1nnc(SCc2ncnn2Cc2c(F)cccc2Cl)s1 91769156 HNGMITNPKZQAGV-UHFFFAOYSA-N 356.839 2.845 0 50 FFAA O=C([C@H](O)c1ccccc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 162916575 VCYNORDIGUDFEM-QGZVFWFLSA-N 364.405 2.571 0 50 FFAA CN(C)CCNC(=O)Nc1ccnn1Cc1ccccc1C(F)(F)F 95496685 BMUBESRFUDZGFZ-UHFFFAOYSA-N 355.364 2.633 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc(F)ccc1F)CC2 91894634 UMMWKXJBDOVCEU-UHFFFAOYSA-N 374.435 2.974 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 95505276 AVUJIGSRMPBWOD-UHFFFAOYSA-N 370.409 2.515 0 50 FFAA C[C@H]1Cc2cc(C(=O)N[C@H]3CC34CCCCC4)ccc2N1S(C)(=O)=O 245598611 JJJFXWFOYDBRAC-GUYCJALGSA-N 362.495 2.850 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1CCN([C@H]2CN3CCC2CC3)CC1 244900140 ZWTBFIATHXOWTJ-KRWDZBQOSA-N 367.415 2.557 0 50 FFAA COc1ccc(CN(C)C(=O)COC[C@@H]2CCCCO2)c2cccnc12 244716020 LGXUFQHDTCELAT-INIZCTEOSA-N 358.438 2.788 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccccc2Cn2cccn2)C2(CCCCC2)O1 299763917 HJRGRBWTJYLSMC-SFHVURJKSA-N 367.449 2.814 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1cccc(F)c1 299756518 GHPALTCUWNUYPT-LJQANCHMSA-N 357.429 2.893 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccnn2CC2CC2)nc2c1CCCC2 299783198 KOTWPVRFRXXRBL-UHFFFAOYSA-N 354.458 2.635 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCC[C@H](CO)C1 828711248 UOHKOQCDLRRLGB-CCLIWJKGSA-N 366.571 2.509 0 50 FFAA Cc1n[nH]c(C)c1CN1CCC(CNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1 828111562 DHUHZAODJOABGG-JMKWWQJESA-N 356.514 2.647 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)N3CCC[C@H](c4n[nH]c(C)n4)C3)oc2c1 670439067 BRAJWEGWZJBJIA-ZDUSSCGKSA-N 352.394 2.548 0 50 FFAA NC(=O)C1(NC(=O)NCc2cc(-c3cccc(Cl)c3)no2)CCCC1 584885837 XQJPDUYCCNJCOD-UHFFFAOYSA-N 362.817 2.592 0 50 FFAA CN1Cc2ccccc2C[C@@H]1CN(C)S(=O)(=O)Cc1ccc(F)cc1 952981386 SVDOPTUYJAXTFR-LJQANCHMSA-N 362.470 2.644 0 50 FFAA O=C(COC(c1ccccc1)c1ccccc1)N1CCN(C2CC2)C(=O)C1 409959139 BVHCDAVAVHBAJF-UHFFFAOYSA-N 364.445 2.626 0 50 FFAA CC(C)c1noc([C@H](NC(=O)[C@@H](C)c2cccnc2)C2CCOCC2)n1 275276877 JYKRNWSOJJEFTH-XJKSGUPXSA-N 358.442 2.976 0 50 FFAA Cc1cc(NC(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)no1 275690062 MMFQYLSUAPQRPZ-CYBMUJFWSA-N 361.471 2.958 0 50 FFAA O=C(O)c1cccc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)c1 1615735365 DCARMJXOEJYDRY-RXVVDRJESA-N 362.429 2.968 0 50 FFAA Cc1csc(SCC(=O)N(Cc2cocn2)Cc2cocn2)n1 1506423837 FWCVQMXBUFXUBD-UHFFFAOYSA-N 350.425 2.749 0 50 FFAA COc1cccc2c1C1(CCN(c3ccc(C(=O)O)cn3)CC1)OCC2 1704327290 BDNDYJMRGKULRB-UHFFFAOYSA-N 354.406 2.857 0 50 FFAA O=C(N1C[C@@H]2COCC[C@]2(C(=O)O)C1)C1(c2ccc(Cl)cc2)CCC1 1772702981 YNIODIINHZTXKU-KUHUBIRLSA-N 363.841 2.711 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2nc(-c3cccs3)no2)CC1 11844104 ZOJPJMJERFFQHJ-UHFFFAOYSA-N 358.423 2.739 0 50 FFAA COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 12192930 VUMNKRBBEMFNJX-INIZCTEOSA-N 356.422 2.708 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1cc(C)[nH]n1 12300575 QNISJNYPJGMCBX-UHFFFAOYSA-N 368.485 2.870 0 50 FFAA CCCn1c(C)c(CC(=O)NCCn2cccn2)c2c1CC(C)(C)CC2=O 12612942 SLZAEWLYYXQOKA-UHFFFAOYSA-N 370.497 2.917 0 50 FFAA C[C@H]1CCCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)C1 13669262 OUSGJWPPVSGYPD-AWEZNQCLSA-N 356.463 2.630 0 50 FFAA CCCN1CC(=O)N(CCc2ccccc2)C[C@H](OCc2ccncc2)C1 14753378 QPFIOFBDVOIJNB-OAQYLSRUSA-N 367.493 2.764 0 50 FFAA O=C(Cc1cccc(F)c1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 14878935 XSJMTPQJWMPOKE-SFHVURJKSA-N 363.392 2.945 0 50 FFAA O=C(COc1ccc(F)cc1Cl)N1CCN(Cc2ccco2)CC1 16605150 RXNLQSRTKJDXLK-UHFFFAOYSA-N 352.793 2.795 0 50 FFAA CCOC[C@@H](O)CNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 19635288 DCLUEROHCPIIHL-ZDUSSCGKSA-N 358.373 2.747 0 50 FFAA Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccs3)ccc21 19873729 FRQYKHPDSRKZBJ-UHFFFAOYSA-N 356.451 2.719 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)CCn1c(O)nc2ccccc21 1857677767 CIQKWBFUOOPYNT-UHFFFAOYSA-N 363.421 2.640 0 50 FFAA CC(C)c1ccc(CCCC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)cc1 1857691895 FQUCBDHTLBSXAQ-SIKLNZKXSA-N 372.509 2.622 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C(=O)CC3CCCC3)C[C@]23CC[C@H]1O3)c1ccco1 1857712114 LFZDAXWHMKCAPY-BIZBXSGISA-N 372.465 2.596 0 50 FFAA COc1cccc2c1CC[C@@H]2NC(=O)c1cccc(C(=O)N2CCCC2)n1 122020299 CPLVCBCKEVEPAJ-INIZCTEOSA-N 365.433 2.744 0 50 FFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](C(=O)O)C3)s2)c(C)c1 237759513 RTVINNYSDKBKCI-CQSZACIVSA-N 360.435 2.661 0 50 FFAA CN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 163222234 FLTMXRNGXISUIR-ZYHUDNBSSA-N 369.792 2.837 0 50 FFAA Cc1cc(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)on1 864097522 VFIBSKJYISDNMQ-CYBMUJFWSA-N 369.874 2.677 0 50 FFAA Cn1c(Cc2ccccc2)cnc1[C@@H]1NC(=O)[C@@H]2c3ccccc3CCN21 1875290367 XQKMOWYFVPUSGK-PZJWPPBQSA-N 358.445 2.739 0 50 FFAA O=C(c1ccco1)N1CCC[C@H]2CN(c3ccc4nccnc4n3)CC[C@H]21 1875280516 QVVZMUTYBNULHI-GOEBONIOSA-N 363.421 2.749 0 50 FFAA O=C(N[C@H]1C[C@H]2C[C@H](CO)C[C@@H]12)c1nc(-c2ccccc2)ncc1Cl 1875308744 UTAPKHJWERJEMB-DCDXPUDHSA-N 357.841 2.934 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCCc2ccc(OC(C)(C)C)cc2)CC1 1875369576 WRLZOXOATJZONB-UHFFFAOYSA-N 358.482 2.947 0 50 FFAA C[C@@H]1Cc2cccc(S(=O)(=O)Nc3ccc(OC(F)F)cn3)c2O1 1875316744 DSOJAHVZWREJTJ-SECBINFHSA-N 356.350 2.807 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccc3cc[nH]c3c2)C1 886055433 UHELWPVTZXDFLS-FUHWJXTLSA-N 351.406 2.871 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 1061064 KFBUEHXCGLWSPZ-KRWDZBQOSA-N 365.389 2.583 0 50 FFAA O=C(CCc1ccccc1N1CCOCC1)N[C@@]12CCCC[C@H]1OCC2 2325766873 YGKXQSPFXZTTTO-TZIWHRDSSA-N 358.482 2.674 0 50 FFAA Cc1cc(Br)cn2c(CN[C@@H](C)Cc3nccn3C)cnc12 2325774156 GRDSBCGKOPYJJZ-LBPRGKRZSA-N 362.275 2.860 0 50 FFAA O=C(N=c1[nH]nc([C@H]2CCCO2)s1)N1CCC=C(c2cccc(O)c2)C1 2325790148 RSTUEDWTVHSQHR-OAHLLOKOSA-N 372.450 2.838 0 50 FFAA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3onc4c3CNCC4)cc2)n1 2325820825 IAVPCOSFAVWFBT-AWEZNQCLSA-N 365.437 2.614 0 50 FFAA CCOC(=O)c1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1 2325824427 APCGAHMRRAHVRT-UHFFFAOYSA-N 371.422 2.770 0 50 FFAA CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cccc2ccccc12 889012 ZMRXMADAFBKMAD-UHFFFAOYSA-N 358.419 2.515 0 50 FFAA Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1052263 FWYBYNJTEVAKNC-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 1124228 AXDXOKQNEYGZRU-QGZVFWFLSA-N 368.389 2.843 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O 1175378 AUSBYSZNRJGFHY-CYBMUJFWSA-N 352.390 2.906 0 50 FFAA COc1ccc(Oc2coc3cc(OS(C)(=O)=O)ccc3c2=O)cc1 1807432 OGIAGHOUXOFRGQ-UHFFFAOYSA-N 362.359 2.932 0 50 FFAA O=C(Nc1ccccn1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100622020 PCNUTYMXRXTFBM-USJZOSNVSA-N 359.385 2.645 0 50 FFAA Cc1ccsc1[C@@H]1CCN(Cc2ccc(-n3cncn3)cc2)C[C@H]1O 65509301 XSPSVOBIYJRTSE-QZTJIDSGSA-N 354.479 2.988 0 50 FFAA O=C(c1cccc(F)c1)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67755935 LKBPVEZRTHEXEV-HNNXBMFYSA-N 366.396 2.720 0 50 FFAA CC1=C(C(=O)O[C@H](C)c2ccoc2)C=C[C@@]2(C)[C@H]1[C@H]1C=C[C@]2(O)C(=O)O1 25540734 QIINWPYOPMCLOJ-OZZRQTCFSA-N 356.374 2.619 0 50 FFAA C[C@@H](CC(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 67908426 IUXHKXKUUMMXNG-HNNXBMFYSA-N 360.421 2.885 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCC(CO)(Cc2ccccc2)CC1 67974974 WIGXLNGMRWEXJM-UHFFFAOYSA-N 355.463 2.853 0 50 FFAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1scc2c1CCCC2 65384054 GABJHUZRJFBDDL-SFHVURJKSA-N 371.506 2.825 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1cccc(-n2cccn2)c1 65407079 ALGLXOOVQFXSCB-MRXNPFEDSA-N 359.433 2.761 0 50 FFAA O=C(c1ccc[nH]1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72151746 NMIRESCPMMVRGA-BHIYHBOVSA-N 357.404 2.995 0 50 FFAA CCc1cc(N2CCC[C@@H](C(=O)N(CC)CC)C2)n2nc(C)c(C)c2n1 72410231 ABSHQLQFISHGHE-MRXNPFEDSA-N 357.502 2.993 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c2ccccc21 171955791 VAPQEJCJWRXASU-QGZVFWFLSA-N 355.482 2.846 0 50 FFAA O[C@]1(CN2CCCC2)CCCN(Cc2cnc(-c3ccccc3)nc2)C1 77375187 NLDCKIMLICATSC-NRFANRHFSA-N 352.482 2.566 0 50 FFAA O=C1[C@H](N2CCOc3cc(O)ccc3C2)CCCN1c1cccc(F)c1 329210155 ZKVGFQCBLHEPHW-GOSISDBHSA-N 356.397 2.921 0 50 FFAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ccncc1)C2 72164863 DKPXTTGOBRQAHQ-UHFFFAOYSA-N 359.433 2.803 0 50 FFAA C[C@H](C(=O)N1CCC(CNC(=O)c2ccccn2)CC1)c1ccccc1 477108540 BMZJWSCFXKOIKV-INIZCTEOSA-N 351.450 2.854 0 50 FFAA COc1nc2c(cc1CNC(=O)c1ccoc1C)C(=O)N(C1CCCC1)C2 71751562 VNNZEMLQRGGPGG-UHFFFAOYSA-N 369.421 2.820 0 50 FFAA Cc1ccc(-n2ncc(C(=O)NCC[C@H]3CCNC3)c2C(F)(F)F)cc1 262576115 JLTUUIYOWHDQRC-CYBMUJFWSA-N 366.387 2.929 0 50 FFAA CC(C)[C@H]1CN(CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 71712241 QNJQFUUCHZDWHR-LJQANCHMSA-N 358.461 2.781 0 50 FFAA O=S(=O)(CCN1CCC[C@@H](C[C@@H]2CCOC2)C1)Cc1ccccc1 373065844 LEXDYOHGGROVDO-OALUTQOASA-N 351.512 2.740 0 50 FFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)N[C@H]1CCc3c[nH]nc3C1)C2 333469136 DBRLLVLUBZLMGN-HNNXBMFYSA-N 370.453 2.658 0 50 FFAA COCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)sc2cccc(F)c12 262407464 BPJFJZIWMYTBFE-JTQLQIEISA-N 367.398 2.503 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](N)C[C@@H]3C)s2)cs1 237538605 CQJIIVZKDCTOPB-ONGXEEELSA-N 357.526 2.680 0 50 FFAA COCCCN(C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 48306483 RCMRJFKJXMHINV-UHFFFAOYSA-N 364.449 2.967 0 50 FFAA COC[C@@H]1CCCN(C(=O)C2(N3CCCCC3)Cc3ccccc3C2)C1 14951921 ZMGZDCDFOOVDBS-GOSISDBHSA-N 356.510 2.895 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4ccnc(C)c4)C3)CCC2=O)cn1 77320602 ALSVIHNNQUNDQG-NRFANRHFSA-N 365.481 2.898 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3cnc(C4CC4)nc3C)C2)CCC1=O 72435749 RFVGJFFAJJTKDU-HXUWFJFHSA-N 356.470 2.527 0 50 FFAA CC(C)c1cc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)nn1C 173454344 LDNBEHWZOJODIA-UHFFFAOYSA-N 368.481 2.826 0 50 FFAA O=C(c1ccsc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225331301 AWETWMHOLMXRLX-UHFFFAOYSA-N 367.478 2.632 0 50 FFAA Cc1cc(C)n(CCNC(=O)C2(c3ccccc3)CCCCC2)c(=O)n1 222322322 ZSBXPNKVIMDSQV-UHFFFAOYSA-N 353.466 2.878 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCSc1nncn1C 426485735 LYZWEJOHWAVIEV-UHFFFAOYSA-N 373.404 2.768 0 50 FFAA CC(=O)c1ccccc1-c1cccc(C(=O)NC[C@@H]2CN(C)CCN2C)c1 426525993 FNASBANPAUVDEF-LJQANCHMSA-N 365.477 2.532 0 50 FFAA O=C(NCCCN1CCC[C@H](CO)C1)N(Cc1ccsc1)C1CC1 426398267 YYVNFNOQPNPWQJ-HNNXBMFYSA-N 351.516 2.517 0 50 FFAA CCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 220282311 ORVRNTJXOFUVTH-UYAOXDASSA-N 371.433 2.544 0 50 FFAA O=C(Cc1cncnc1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 290756264 OGAWJXBVNXZFNR-CYBMUJFWSA-N 351.237 2.721 0 50 FFAA CC(C)Cc1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1 82114379 RXEZNAGMFNFUSU-UHFFFAOYSA-N 355.442 2.667 0 50 FFAA COc1ccc(C(=O)N2CCCC[C@@H](NC(=O)NCc3ccco3)C2)cc1 82138350 OINAHDGQLCRLIJ-MRXNPFEDSA-N 371.437 2.782 0 50 FFAA O=C(O)c1cccc(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 91351002 OSOFNCRTOSJMMY-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 426545485 VHXGPXMYTADKNP-UHFFFAOYSA-N 366.465 2.921 0 50 FFAA c1cncc(-n2nc([C@H]3CCOC3)nc2-c2scc3c2OCCO3)c1 96164676 GEZUXAOKOLBWKK-NSHDSACASA-N 356.407 2.666 0 50 FFAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(C2CCSCC2)CC1 97743255 QFCPHJXBUHMWLT-UHFFFAOYSA-N 374.485 2.869 0 50 FFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cncnc3)C2)c1 95509596 UUKDQMKHPAQPRN-KRWDZBQOSA-N 368.481 2.794 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)NCCc1noc([C@@H]2CCCO2)n1 97797272 GDBIRZXDOBSXSB-AWEZNQCLSA-N 374.445 2.905 0 50 FFAA CC(C)N1CCC[C@]2(CCN(C(=O)Cn3ccc4ccccc43)C2)C1=O 91350527 YFWDFAZNBAUDEA-OAQYLSRUSA-N 353.466 2.891 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3cnc4ccnn4c3C)c2n1 97634977 DFFGJFAOEHEZHS-UHFFFAOYSA-N 361.405 2.703 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@@H](OCc4cccnc4)C3)c(F)n2c1 95367075 VYRGEHJGXDBSCL-MRXNPFEDSA-N 368.412 2.998 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1nc[nH]n1)C2 91780391 JONRGZHGYPBPQG-IAGOWNOFSA-N 365.481 2.974 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cncs3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95508786 TVJCQADSKAPJLI-BHIYHBOVSA-N 369.490 2.854 0 50 FFAA Cc1ccccc1[C@@H]1CN(Cc2cccc(OCCO)c2)C[C@H]1C(=O)O 91848858 VKKBHCKCBOZYJL-VQTJNVASSA-N 355.434 2.666 0 50 FFAA O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cn2ccsc2n1 91626233 QSDITIGAJFXUAX-LLVKDONJSA-N 360.826 2.585 0 50 FFAA Cc1cccc(OC2CCN(c3cc([C@H]4C[C@@H](N)C4)nc(N)n3)CC2)c1 244678507 IEXFVLUWZZPMNC-GASCZTMLSA-N 353.470 2.620 0 50 FFAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4nc3C)C2=O)o1 299686180 UZOKBSTUWDQMDO-LJQANCHMSA-N 350.378 2.807 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@H](n2cncn2)C1 183836808 LWJFHWGRBGIRHG-XJKSGUPXSA-N 359.405 2.678 0 50 FFAA O=C(NC[C@H](O)CN1CCCCCC1)Nc1cccc(-c2cnco2)c1 299799699 YJLJPKJFYUPFNM-KRWDZBQOSA-N 358.442 2.700 0 50 FFAA Cc1n[nH]c(C)c1-c1cccc(C(=O)NCc2ccc(C(=O)N(C)C)o2)c1 299761764 YAIUSIDAFGQGNX-UHFFFAOYSA-N 366.421 2.918 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1cccc(-n2cnnc2)c1 299779898 PZWFDJMUFMEJRL-UHFFFAOYSA-N 365.441 2.923 0 50 FFAA O=C1C[C@@H](CN2CCCN(Cc3cccnc3)CC2)CN1c1ccccc1 299758092 BGWOJXBTXXHLMU-FQEVSTJZSA-N 364.493 2.642 0 50 FFAA Cc1ncsc1CN1CCC2(CC1)CN([C@@H]1CCSC1)CCO2 825284754 GILDWPJBNLTHQU-OAHLLOKOSA-N 353.557 2.624 0 50 FFAA O=C(CCC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)Nc1nncs1 828034728 RLXFCSHVUWUKAN-HUUCEWRRSA-N 374.466 2.511 0 50 FFAA COCc1nc(C2CCN(C(=O)N(C)C)CC2)n(-c2ccc(C)cc2C)n1 670462899 BXPJSGMDQPGNLV-UHFFFAOYSA-N 371.485 2.892 0 50 FFAA CN(C)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C[C@@H]2C1 1355431619 DLSWOBWXUMUOLD-WRTQPQOASA-N 356.510 2.995 0 50 FFAA CCNc1nc(C)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)s1 952981767 IMOKKNAJSJQZBU-UHFFFAOYSA-N 364.496 2.543 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cc2cc(F)ccc2o1 1565528682 ILGRKSPZBXSDNC-YOEHRIQHSA-N 356.353 2.933 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)oc12 1565530044 WVNBNTLOQBSNCG-UTNFCUCBSA-N 364.829 2.542 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 268943893 NOZSCKXCFJBBJB-HOTGVXAUSA-N 353.374 2.576 0 50 FFAA CC(C)n1ncc2cc(CN[C@@H]3CCO[C@H](c4cncn4C)C3)cnc21 275525095 LJHYRQZNKSBTIK-AEFFLSMTSA-N 354.458 2.756 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@](C)(O)c2ccc(C)o2)cc1 185550477 QYAYQMAADYQSDR-RDTXWAMCSA-N 351.468 2.556 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)c3cn4ccnc4s3)cn2)CC1 188546514 JDFYYNZIYODBIY-UHFFFAOYSA-N 357.439 2.516 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 190532242 XPBCFZRKHIMRFR-HOCLYGCPSA-N 358.511 2.931 0 50 FFAA Cc1ccc(NC2(C(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)CCCCC2)cc1 1506400901 HEKLIGFIWJGTAD-PMACEKPBSA-N 371.525 2.777 0 50 FFAA C/C(Cl)=C/Cn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 829827 YVMUBSVMHSCFAW-YHYXMXQVSA-N 356.879 2.704 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1704347208 JPVLVEKEADGJDH-MJGOQNOKSA-N 367.449 2.664 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1)c1ccco1 11843123 HLDZIIYSCJIDAY-AWEZNQCLSA-N 356.451 2.926 0 50 FFAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 12002501 QNOMXJUXZWGLIW-UHFFFAOYSA-N 362.451 2.509 0 50 FFAA CC(C)N1C[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O 12373569 FDRAXVKTVRDLSC-INIZCTEOSA-N 353.422 2.747 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)Cc2ccccc2OC)CC1 13323109 RYQRBWZGQIYXRZ-UHFFFAOYSA-N 354.450 2.985 0 50 FFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(C(C)C)CC2 14755323 XTOSCIXZBMTIMP-UHFFFAOYSA-N 373.497 2.730 0 50 FFAA O=C1CC[C@@H](CCNCc2ccccc2)N1C[C@H]1COc2ccccc2O1 14992315 OAQXEIVHZMHDPV-OALUTQOASA-N 366.461 2.997 0 50 FFAA CC(C)c1cc(CNC(=O)Cn2cc(NC(=O)c3ccccc3)cn2)on1 14995168 QJJTWMSBNWFNCQ-UHFFFAOYSA-N 367.409 2.563 0 50 FFAA O=C(CCN1CCOCC1)N1N=C(c2ccccc2)C[C@H]1c1ccco1 19911766 WKBYSIRTUDXGNZ-SFHVURJKSA-N 353.422 2.680 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3ccncc3)CC2)cc(C(F)(F)F)n1 169772437 UOHNBSLTKGMWAG-UHFFFAOYSA-N 365.359 2.598 0 50 FFAA CN(C)C(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cccc(Cl)c1)C2 1857530384 DXAMQIDGQVYVDO-IACUBPJLSA-N 359.813 2.658 0 50 FFAA COc1ccc2cc(-c3nccn3[C@@H](C)c3n[nH]c(C)n3)c(O)nc2c1 1857689023 BTTWKQSGTZEHKO-JTQLQIEISA-N 350.382 2.848 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CC[C@@H]2NCC[C@@H]21 1857729991 LTKKGLOHQMHFAF-HOCLYGCPSA-N 374.872 2.660 0 50 FFAA O=C(N=c1[nH][nH]c2cc(Cl)ccc12)[C@@H]1CCCN(c2ccccn2)C1 1875242788 BTLWLXZKSKSXDK-GFCCVEGCSA-N 355.829 2.888 0 50 FFAA Oc1nccnc1N1CCC[C@@H](NCc2cc(F)cc3cccnc23)C1 328639908 PUERRXGVLUFQQI-MRXNPFEDSA-N 353.401 2.628 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc2ccc(Cl)cc2[nH]1 238108947 MONBMINJDHQLKL-CYBMUJFWSA-N 350.802 2.917 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c(C)c1 19881454 BCDKCERGWIBYHV-CQSZACIVSA-N 356.403 2.821 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCSCC2)c1 264807439 IQORKRLMZTZDNB-UHFFFAOYSA-N 372.512 2.504 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(CN3CCCC3)c(Cl)c2)cn1 1875385105 MTLZBGKHMISCTJ-XDHUDOTRSA-N 360.889 2.933 0 50 FFAA C[C@@H](NS(=O)(=O)Cc1csnn1)c1ncc(-c2ccc(F)cc2)o1 1875361420 RXWUOCIGSBJXQE-SECBINFHSA-N 368.415 2.513 0 50 FFAA CC1(C)C[C@H](CCNc2ccc(CCC(=O)N3CCCC3)cc2)C(=O)N1 2325772329 AWJPBDIMDNDZJK-KRWDZBQOSA-N 357.498 2.958 0 50 FFAA CCN(CC)[C@H](C)CNC(=O)NCc1cn2cc(Cl)cc(C)c2n1 2325868877 OCZXNBYEENINIC-CYBMUJFWSA-N 351.882 2.826 0 50 FFAA Cn1cc([C@@H]2CN(C(=O)CCOc3ccc4ccccc4c3)CCN2)cn1 913460540 OXMPKAYRBCOCRJ-FQEVSTJZSA-N 364.449 2.515 0 50 FFAA O=c1c2c(nc3n1CCOC3)sc1c(O)c(Br)ccc12 754391 NFLWRXSQWMWBJH-UHFFFAOYSA-N 353.197 2.610 0 50 FFAA Cc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 877092 KASACPSGLAGNPT-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA O=C(NC(=S)Nc1ncccc1O)c1ccccc1Br 1004645 OENAUCKNSOMNND-UHFFFAOYSA-N 352.213 2.677 0 50 FFAA COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1 1141056 GUUQZEYXKYSKBZ-UHFFFAOYSA-N 368.462 2.822 0 50 FFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccs1 4036148 OMPHDCFEWYVTRE-OAHLLOKOSA-N 363.464 2.817 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cc(Cl)cc(Cl)c1 6057281 OEGVZAKOXURUOV-RDBSUJKOSA-N 356.253 2.721 0 50 FFAA CC(C)N(CCSc1ccccc1)C(=O)C[C@@H]1CCS(=O)(=O)C1 55100262 CNXQIQMAUHKSJI-HNNXBMFYSA-N 355.525 2.841 0 50 FFAA CCOC(=O)Cn1ccc2cc(N3C(=O)N4CCC[C@]4(C)C3=O)ccc21 225556786 CJWJSBWHUICGOV-LJQANCHMSA-N 355.394 2.526 0 50 FFAA CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1 9873451 ICRBBJNRCFSFEO-NVXWUHKLSA-N 352.500 2.701 0 50 FFAA CCOc1ccc(-c2n[nH]c3c2CN(c2nccc(OC)n2)CC3)cc1 23232542 DXPLTRGVVPSKJI-UHFFFAOYSA-N 351.410 2.837 0 50 FFAA CCOc1ccccc1N1CCN(CC(=O)Nc2cccc(OC)c2)CC1 55060353 SBIPYFKZUOYDDH-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA CCn1c(C2CCNCC2)nn(CCc2cccc3ccccc23)c1=O 65491896 CAJBZSALIXYJDZ-UHFFFAOYSA-N 350.466 2.928 0 50 FFAA CC(C)CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO 20201350 UQPSBRDBYWLPSY-NRFANRHFSA-N 356.514 2.787 0 50 FFAA Clc1cnc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)nc1 65380904 OBFPFCQXTAXFQR-UHFFFAOYSA-N 354.845 2.638 0 50 FFAA Cc1cccc(CC2(O)CCN(C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)c1 280596146 NRLGSMUPBBIZIR-SFHVURJKSA-N 371.525 2.724 0 50 FFAA O=C(CCc1cn[nH]c1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 12195380 QNCSGGFLYNQQQA-OAQYLSRUSA-N 370.472 2.996 0 50 FFAA O=C1CCCCCN1CCC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67515565 LTUWMMQMEAIXTA-UHFFFAOYSA-N 364.449 2.779 0 50 FFAA CC(C)c1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)n[nH]1 39478621 PNWMTESOGKDSLL-HXUWFJFHSA-N 356.514 2.644 0 50 FFAA Cn1cc(-c2csc(CNc3cccnc3N3CCC(O)CC3)n2)cn1 252537146 KLEZWAAWGQVBGR-UHFFFAOYSA-N 370.482 2.512 0 50 FFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(-c3cccc(CO)c3)nc2)C1 71419529 ZRTVZUJAQHEELF-SFHVURJKSA-N 367.493 2.949 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)n(C)n1 252505072 VNQROMCARHUZRL-OAHLLOKOSA-N 374.464 2.943 0 50 FFAA NC(=O)c1cccc(C[C@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)c1 72136990 UFMJDSCARFIUGX-NCUBBLFSSA-N 370.474 2.651 0 50 FFAA CCNC(=O)c1cn2cc(-c3cc(C)oc3C)n(CC3CC3)c(=O)c2n1 72470024 JMLLLGGQKOYLEU-UHFFFAOYSA-N 354.410 2.533 0 50 FFAA COc1ccc(CCCNC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1OC 253393186 WDEZECKOAOWVNZ-IRXDYDNUSA-N 361.486 2.562 0 50 FFAA CN(C)c1ccnc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1 363370683 OGDNUSOAGMAKIO-UHFFFAOYSA-N 353.422 2.588 0 50 FFAA CC(C)N1CCO[C@@H](c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)C1 253432014 VJBZMGIPPWTZTQ-ZIAGYGMSSA-N 368.478 2.649 0 50 FFAA COc1cc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc2c1OCO2 12613205 GVIBWUANZDREDJ-CQSZACIVSA-N 360.454 2.695 0 50 FFAA Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3CCCN(C4CCC4)C3)C2)c1 332843815 FTGNSIRDHQYOIA-JENIJYKNSA-N 359.518 2.801 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(C3Cc4ccccc4C3)C2)N1Cc1cscn1 219753403 QJZDEEFDSGSQTE-AEFFLSMTSA-N 353.491 2.733 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)CCc2nc[nH]n2)[nH]c1-c1ccccc1 365861735 MGUXVBUUXHXPPS-OAHLLOKOSA-N 350.426 2.800 0 50 FFAA O=c1[nH]nc(C2CCN(Cc3cccc(O)c3)CC2)n1Cc1ccccc1 71754051 WVJBNDGBACBGHJ-UHFFFAOYSA-N 364.449 2.705 0 50 FFAA Cc1nc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2)cs1 215608162 VSXXNIOXXDOKFX-UHFFFAOYSA-N 350.557 2.892 0 50 FFAA CN(CC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1)c1ccccc1 77323512 RQUOSZMHMLRJDU-NRFANRHFSA-N 352.478 2.965 0 50 FFAA CC1CCN(C(=O)COc2ccc(CN(C)Cc3cnccn3)cc2)CC1 215149128 YFCLSHXZHCHQKB-UHFFFAOYSA-N 368.481 2.746 0 50 FFAA CCC(=O)C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 77341297 CKNXEUZDIRPPED-LJQANCHMSA-N 364.445 2.761 0 50 FFAA CN1C(=O)C2(CCN(Cc3noc(-c4ccco4)n3)CC2)c2ccccc21 72132192 OQHAAKFPAYXIMQ-UHFFFAOYSA-N 364.405 2.840 0 50 FFAA C[C@@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1cccn1 77534843 NVWXEUBBGAYFRI-KRWDZBQOSA-N 352.482 2.536 0 50 FFAA CCC[C@H](CC)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 186791103 HVYJCUSPOQCVQF-JTQLQIEISA-N 365.425 2.967 0 50 FFAA Cc1ccnc(-c2ccc(N[C@H]3CCCN(c4cnn(C)c4)C3=O)cc2)n1 174102070 WBRPKEWYCQNAGM-SFHVURJKSA-N 362.437 2.793 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)NCc1cc2n(n1)CCCNC2 82106531 BPSNNZCZCYMRRF-UHFFFAOYSA-N 370.478 2.947 0 50 FFAA CC[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)O)c2C(N)=O)C1 17073063 MGXNAIHDNDGLSA-VHSXEESVSA-N 352.456 2.801 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 82136796 PRQCXYJUABEVGP-FQEVSTJZSA-N 358.486 2.676 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 426526979 RLEIFWLQCFLGOR-GFCCVEGCSA-N 373.482 2.912 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc(=O)[nH]1 82147451 RMWNOCPUBCUDCD-CQSZACIVSA-N 350.422 2.590 0 50 FFAA CCCCN(Cc1ccccn1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426684522 PDNCHAWFDGDPDD-QGZVFWFLSA-N 355.486 2.574 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 177705586 OVJMADTXJYBPOR-HXUWFJFHSA-N 366.421 2.771 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)c1cccc(-c2c(C)nc(O)nc2O)c1 426465394 AVRLIGCCFJOLMM-UHFFFAOYSA-N 368.393 2.740 0 50 FFAA O=C(c1ccc(-c2ccncc2)cc1)N1CCN(CC2CC2)[C@H](CCO)C1 426490232 MFZKSFMOKPEOAE-OAQYLSRUSA-N 365.477 2.667 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@H]1c1ccc(C)o1 95501928 BJVCFGMXVHEBGV-IUODEOHRSA-N 357.435 2.875 0 50 FFAA COCCc1noc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 95387780 VIDPYZGXDMCGLO-UHFFFAOYSA-N 362.389 2.684 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)OC 96140807 JSTJLRWWDXIUKK-UHFFFAOYSA-N 372.429 2.529 0 50 FFAA Cc1ccc(-c2nc(CN3CCOCC3)n(CCc3ccccc3)n2)o1 96163158 MIEXVZIKLDCAFI-UHFFFAOYSA-N 352.438 2.921 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cc1F 91708136 SMCPBHRPZAWQQV-LSDHHAIUSA-N 371.364 2.803 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95500579 VXFAICIWCFDEHY-FUHWJXTLSA-N 369.490 2.644 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 95511844 JEFKWVIOYMMIFQ-AWEZNQCLSA-N 372.473 2.654 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)c1ccccc1)CC2 92061733 GWFGKPHCXHAOAC-KRWDZBQOSA-N 358.482 2.668 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N[C@@H]1COC2(CCCCC2)C1 96153943 DCKKQXHKXLYRGQ-INIZCTEOSA-N 359.470 2.931 0 50 FFAA O=C(CCN1CCN(c2cccc(Cl)c2)C(=O)C1)NC1CCCCC1 91563535 IGKZENBMHOBDNC-UHFFFAOYSA-N 363.889 2.828 0 50 FFAA O=C1CCN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CCN1 91494292 IAALRXSVNIQRSE-UHFFFAOYSA-N 369.368 2.791 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95383104 UTDSCUBPHFFRMV-INIZCTEOSA-N 364.405 2.756 0 50 FFAA O=C1C[C@H](C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)c2cc(F)ccc2N1 91849012 HZRGUYGIVFSKFT-AWEZNQCLSA-N 368.412 2.827 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 244873099 WKAUGJYIOCIRDR-BJHJDKERSA-N 360.845 2.743 0 50 FFAA Cn1c(C(=O)N2CC[C@H](CN)C2)ccc1-c1ccccc1Br 299739979 UJTFETQYDFSPAB-GFCCVEGCSA-N 362.271 2.875 0 50 FFAA CN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C1CCSCC1 299789020 VAVHBATYTQMMSM-UHFFFAOYSA-N 368.808 2.875 0 50 FFAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)c2cc(F)ccc2n1 299795232 MDINYIFMDKTVSO-OALUTQOASA-N 357.429 2.665 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc2c1NCCC2 299790493 BITLCHJIGRHXQZ-UHFFFAOYSA-N 350.466 2.834 0 50 FFAA COc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)c1OC 952977557 UGIOTWGZVWWZLM-UHFFFAOYSA-N 371.437 2.765 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1565506813 QHGLGQOXVOCDJS-UXHICEINSA-N 366.509 2.954 0 50 FFAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1C 221929521 WDOQCISRVZCTPF-MRRJBJDNSA-N 350.846 2.860 0 50 FFAA CC(C)(C(=O)NCC1CCN(c2ncccn2)CC1)c1cccc(F)c1 170610078 CVFRUUWTZHNRBL-UHFFFAOYSA-N 356.445 2.926 0 50 FFAA CCC[C@]1(C)C(=O)NCCN1Cc1nnc(-c2ccc(Cl)cc2)n1C 187296153 PZASIPGFFJZXBS-GOSISDBHSA-N 361.877 2.626 0 50 FFAA Cc1cc(C)c(N2CC[C@@H](N3CCN(c4ccccn4)CC3)C2=O)c(C)c1 190354700 XPNAEPLOKZDDGR-LJQANCHMSA-N 364.493 2.934 0 50 FFAA COc1ccccc1-c1nc(C2CCN(C[C@H](O)C(F)(F)F)CC2)no1 192343215 OOBLSUCYKYLTRH-AWEZNQCLSA-N 371.359 2.848 0 50 FFAA COc1cc2c(N3CCC[C@@H](c4ccnc(N)n4)C3)ncnc2cc1F 192754435 SRKZVLIUMZYRTK-LLVKDONJSA-N 354.389 2.534 0 50 FFAA COCc1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)ccc1OC 216172138 UDHKSFJWNITCHJ-MJGOQNOKSA-N 358.482 2.674 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3nc(C)ncc3Cl)CC2)n1 1772710969 UYKHQFYRGPWLDE-UHFFFAOYSA-N 372.782 2.882 0 50 FFAA CC(C)c1ccc(N2CCCN(C(=O)CCc3cccnc3)CC2)nn1 1772812570 NMBNSDQWXDVSSI-UHFFFAOYSA-N 353.470 2.667 0 50 FFAA Cc1noc(C)c1C(=O)NCc1cccnc1N(C)CCc1ccccn1 11667950 ZHOUDMZNGIEGAN-UHFFFAOYSA-N 365.437 2.690 0 50 FFAA CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 11841441 OLSWDDNZADCULA-ZDUSSCGKSA-N 358.891 2.522 0 50 FFAA O=C(NCCc1nccs1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11954734 NWRRHACBSYTFPS-QGZVFWFLSA-N 371.506 2.673 0 50 FFAA O=C(c1ccsc1)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 12308854 GAOOTYDXSFSZCC-IBGZPJMESA-N 355.463 2.798 0 50 FFAA COc1ccc(CC[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)cc1 12704462 CEUXXYUGGCKXKK-GOSISDBHSA-N 358.482 2.879 0 50 FFAA CCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 14397553 WNLCPTDTIWWINX-UHFFFAOYSA-N 367.449 2.915 0 50 FFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1ccco1)C2 14748806 JYMIRMNQNBQWES-HNNXBMFYSA-N 356.470 2.676 0 50 FFAA COc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1C 15061988 QWNBUHUPRHCDDF-KRWDZBQOSA-N 356.397 2.674 0 50 FFAA COc1cc(NC(=O)c2cnc3sccn3c2=O)c(OC)cc1Cl 16624365 WTXHCCPASQBQEG-UHFFFAOYSA-N 365.798 2.679 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)CC2)cc(OC)c1O 19842454 UFYOTDVLNCZRGQ-UHFFFAOYSA-N 360.429 2.866 0 50 FFAA COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772898 WJSWDYKAADPJCV-LLVKDONJSA-N 368.368 2.702 0 50 FFAA C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1-n1cccn1 153444859 ZVTPYGBRGKVOGU-AWEZNQCLSA-N 369.446 2.767 0 50 FFAA CCCc1nc(C)cc(N2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 1857721632 YWYWFFRXFJUKPF-RXVVDRJESA-N 373.472 2.669 0 50 FFAA CC1(NC(=O)[C@@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCC1 1857735857 UXNQGCJMAFHTDD-CQSZACIVSA-N 370.478 2.541 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1c(C)[nH]c3c(F)cccc13)C2 248073464 ZAYCVXVCBVYRKG-HOTGVXAUSA-N 373.472 2.727 0 50 FFAA CCN(CC)c1ccc(NS(=O)(=O)c2cccc(OC)c2OC)cn1 903599475 QYXGKDZTWNXSGH-UHFFFAOYSA-N 365.455 2.746 0 50 FFAA O=C(NS(=O)(=O)c1csnc1Cl)[C@H]1C[C@@]12CCc1ccccc12 861396660 ZMCVNOMCAKTQOV-IAQYHMDHSA-N 368.867 2.506 0 50 FFAA COc1ccccc1[C@@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCC2 1875255890 VMPMMRWPAKCCLV-GFCCVEGCSA-N 358.463 2.853 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 1875367085 BHLKMJQVTRKHFH-AZUAARDMSA-N 356.466 2.526 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)n[nH]c21 1875393845 NCCXTEBVUJOVLQ-MNOVXSKESA-N 351.410 2.548 0 50 FFAA COc1cccc(CC(=O)N2CC[C@H](Nc3ncc(Cl)cn3)[C@@H]2C)c1 1875308181 SYCLWUZVRSTOKO-LRDDRELGSA-N 360.845 2.783 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 1875371944 QZVFUVRVWPPGQQ-WFASDCNBSA-N 371.264 2.568 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3cnc(C4CC4)s3)C2)ccn1 886072154 XGAHOWBPLSKBHJ-QGZVFWFLSA-N 372.494 2.705 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(C(=O)CC/C=C/c3ccccc3)C2)n1 886096805 QAAKQHPDHNKFIB-JOCSGSGBSA-N 355.438 2.768 0 50 FFAA C[C@@H]1CN(CCOc2ccc(I)cc2)C[C@@H](C)O1 20167014 ZEQXPDFQTNUXDF-VXGBXAGGSA-N 361.223 2.779 0 50 FFAA COc1ccc(CCNC[C@H](O)COc2ccc(Cl)cc2)cc1OC 2996735 BFGQRZAKGDVAPD-INIZCTEOSA-N 365.857 2.929 0 50 FFAA CO[C@@H]1CN(C(=O)C[C@H]2C[C@H](OC(C)(C)C)C23CCC3)[C@H]2COC[C@@H]12 2325783392 WBMZRLLJUOWVMP-UUAJXVIYSA-N 351.487 2.623 0 50 FFAA C[C@@H]1C[C@H]1c1nnc2ccc(N3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790695 BLGDCOVKNZLWBD-FVQBIDKESA-N 363.469 2.514 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 904598 PPZRPPUWVRYWQZ-ZDUSSCGKSA-N 355.369 2.776 0 50 FFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1F 1410090 SDXDKAXFQSYKDT-UHFFFAOYSA-N 359.426 2.789 0 50 FFAA O=C([C@@H]1CCCN1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1ccccc1 2356145931 XZQJDQKYSAXZAL-FXTUREPZSA-N 367.537 2.683 0 50 FFAA Cc1cc(=O)oc2cc(NC(=S)N3CCC4(CC3)OCCO4)ccc12 2858340 UZPGGUDSJXLTEJ-UHFFFAOYSA-N 360.435 2.637 0 50 FFAA Cc1ccc2nc(CNCc3cn(CCC(N)=O)c4ccccc34)cn2c1 55255864 FGGXKPUIGIABQM-UHFFFAOYSA-N 361.449 2.763 0 50 FFAA COC[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCO1 225714544 MDQLCVZPGMZQTN-CHWSQXEVSA-N 353.362 2.586 0 50 FFAA C[C@H](C(=O)NCC1(CO)CCCC1)N1C(=O)c2cccc3cccc1c23 55340842 BDCBALPLZSTTIS-CQSZACIVSA-N 352.434 2.857 0 50 FFAA O=C(O)C[C@@H]1Oc2ccccc2N(CCOc2ccc(Cl)cc2)C1=O 55370424 OOGFKXYWAODHRF-INIZCTEOSA-N 361.781 2.988 0 50 FFAA O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)NCCc1ccccc1 20522182 PACPQHKQRYKONJ-UHFFFAOYSA-N 371.912 2.817 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)CSc3ccccc3C)C2)cc(=O)[nH]1 23542779 PEHHZTMFDXMWGZ-HNNXBMFYSA-N 357.479 2.885 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)C[C@@H]1NC(=O)c2ccccc21 65529240 IEIWNUSBIRBJQM-SFHVURJKSA-N 360.417 2.672 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(C)cc1C 20500873 HHAKUAJFLTUUIH-GOSISDBHSA-N 357.454 2.570 0 50 FFAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(Cc2ccccc2)CC1 20328060 RAGPTVWQHVITQA-HXUWFJFHSA-N 367.424 2.663 0 50 FFAA CC(C)C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25905084 SKTWZICGODYBFB-DLBZAZTESA-N 352.500 2.562 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@@H]1Cn1cccn1 65425823 RUJABUJNYJFMNY-SECBINFHSA-N 361.755 2.594 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NCCc1nc2ccccc2s1 128102998 XCPSHXLDTRHJTG-UHFFFAOYSA-N 363.442 2.970 0 50 FFAA CSc1ncccc1C(=O)N1CCN(c2ncnc3ccccc23)CC1 72463828 NZALXJWJOJJNAY-UHFFFAOYSA-N 365.462 2.709 0 50 FFAA COc1cccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1OC 4387080 LTGCCFWIWVBXGE-ZDUSSCGKSA-N 351.358 2.986 0 50 FFAA COc1ccnc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 329398441 VGFUWBJHOKJWFO-VAMGGRTRSA-N 352.434 2.664 0 50 FFAA Cc1cnc2c(S(=O)(=O)Nc3ccc4nc(C)nn4c3)cccc2c1 253429702 DEXIMXGFPIBNTB-UHFFFAOYSA-N 353.407 2.695 0 50 FFAA O=C(NCc1cccc(-n2cncn2)c1)Nc1cc2c(cc1Cl)OCO2 363235559 XTGDQDDKTISMKC-UHFFFAOYSA-N 371.784 2.971 0 50 FFAA O=C(CCc1cccnc1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72426950 KWVZHHBZOSHXCU-UHFFFAOYSA-N 354.406 2.539 0 50 FFAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2F)C1 331253863 SBWUVECKIJTCDT-NWDGAFQWSA-N 354.397 2.827 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)c1 77426961 UGYFOUGXMUURIC-CQSZACIVSA-N 363.845 2.863 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3csc(C(C)C)n3)CC2)cc1 77538183 LKWKJJDJRFEZMV-UHFFFAOYSA-N 373.478 2.873 0 50 FFAA Cc1cc(C(=O)N(CCO)Cc2nccn2C)c2cccc(Cl)c2n1 216369729 UKAVQZOSAYCPLI-UHFFFAOYSA-N 358.829 2.565 0 50 FFAA Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](C(=O)O)N(C(=O)C1CC1)C2 72470829 XXSPWEHCFROLKZ-GOSISDBHSA-N 374.456 2.812 0 50 FFAA c1ccc2[nH]c(C3CN(Cc4cnc(NC[C@H]5CCCO5)nc4)C3)nc2c1 214982394 AGFJHRLVQHRCOA-MRXNPFEDSA-N 364.453 2.543 0 50 FFAA Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)nnn1C 333935201 JGQSHIXMCCIJIC-ULQDDVLXSA-N 367.453 2.536 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@H](COc2ccc(F)cc2)C1 77540600 DOUKDHWNBHZQPB-AWEZNQCLSA-N 354.385 2.800 0 50 FFAA CCS(=O)(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 72162867 HARHOZVQWQPASR-LJQANCHMSA-N 350.528 2.757 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 237972361 SKAYXALSMLAHFA-AWEZNQCLSA-N 354.410 2.937 0 50 FFAA Cn1ncc2c(NCc3cnc4ccccn34)nc(-c3ccncc3)nc21 72438863 SUWZAJVSSGGGOX-UHFFFAOYSA-N 356.393 2.685 0 50 FFAA COCCN1C[C@@]2(CCCN(c3noc(-c4ccccc4)n3)C2)CCC1=O 77355819 PARGLZRUQKPDDE-HXUWFJFHSA-N 370.453 2.592 0 50 FFAA CCC1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCN(C(=O)c2ccccc2)CC1 378586986 ZKZIMMAKAMEPAA-RBUKOAKNSA-N 372.509 2.986 0 50 FFAA CC1(C)CN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 173449498 WXHARTDKCDSOGA-OAHLLOKOSA-N 354.397 2.894 0 50 FFAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 263045274 WBKNWOPAXIWKEK-OAHLLOKOSA-N 361.369 2.943 0 50 FFAA O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1CN1CCOCC1 174486080 REGWTOHNAFBUQV-SFHVURJKSA-N 369.465 2.597 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C 285266000 SHGSTRYRUBYRBY-KFKAGJAMSA-N 369.465 2.743 0 50 FFAA C[C@H](c1ccc(OC(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1 285564020 VQTMBORKZSAJJR-GFCCVEGCSA-N 362.442 2.610 0 50 FFAA COC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2CCO[C@@H]21 222284355 WRTSQGOSIJISFH-YRPNKDGESA-N 373.474 2.682 0 50 FFAA O=C1OCC2(CCN(C(=O)CO[C@H](c3ccccc3)C(F)(F)F)CC2)O1 426711273 IUSSGNWJCXIRKC-CQSZACIVSA-N 373.327 2.835 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCN(Cc4cccnc4)CC3)cc2)nn1 426361888 DWOLBZPKIBVFNO-UHFFFAOYSA-N 373.460 2.805 0 50 FFAA CC(C)N1CCN(C(=O)c2ccc(-c3ncc(F)c(N(C)C)n3)cc2)CC1 426634341 TZRHFRWCXRDIPC-UHFFFAOYSA-N 371.460 2.515 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2nccnc2OC)cc1)c1ccnn1C 426685270 IUFAOTBXXNWHNP-HNNXBMFYSA-N 351.410 2.767 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N(C)Cc1nc(O)c2ccccc2n1 426550090 VKJUSRWYPVBYCY-LLVKDONJSA-N 368.441 2.588 0 50 FFAA CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)c1ccc(F)cc1 426716832 HJYJNTJVEVXJJI-MRXNPFEDSA-N 358.417 2.773 0 50 FFAA Cc1c([C@H](C)NC(=O)COc2ccccc2O)cnn1-c1ccccn1 91603108 LVJQFAUIDFFNBU-ZDUSSCGKSA-N 352.394 2.538 0 50 FFAA COc1ccc(-c2ccccc2NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 95522831 LUCSOSSLIKWVEB-CQSZACIVSA-N 374.462 2.918 0 50 FFAA CNC(=O)c1ccc(NC(=O)NC[C@H]2OCCc3ccccc32)c(C)c1 97773164 AOOJJKWQLOUQPB-GOSISDBHSA-N 353.422 2.790 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)CCN1CCCCC1=O 97098856 FYIXPBUPCZKBFR-UHFFFAOYSA-N 352.862 2.718 0 50 FFAA Cc1cc2cccc(C(=O)N3CCN(CC4CCN(C)CC4)CC3)c2o1 97759452 KODAJIFUILOLKV-UHFFFAOYSA-N 355.482 2.841 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(C)nc23)C1 97522390 VGMKNCXNRGGUHQ-GFCCVEGCSA-N 369.391 2.613 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91663583 KATYLKZZQQISRP-AZUAARDMSA-N 363.461 2.582 0 50 FFAA O=C(NCc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 181652176 XTDKPSLWRWSLEM-OAHLLOKOSA-N 357.841 2.904 0 50 FFAA Cc1nc2c(C(=O)N3CCC[C@H]3Cn3cc(C4CC4)nn3)cccc2o1 299742127 HBBXNQWTIRNYNR-AWEZNQCLSA-N 351.410 2.910 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H](Cc3ccncc3)[C@H]3C[C@@H](O)C3)cc2o1 252532931 FLWUSHNLLZMSER-JZXOWHBKSA-N 351.406 2.643 0 50 FFAA CC(=O)N1CCN(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 534666310 PRHNOVBNVBZNEW-HXUWFJFHSA-N 366.465 2.662 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 299788271 WGQDLSQXAIJWLC-INIZCTEOSA-N 352.390 2.639 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cnc2cnn(C)c2c1 1940196488 OHZNLAPRNCJWDH-LBPRGKRZSA-N 352.394 2.573 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCO[C@@H](c2ccc(F)cc2)C1 299756757 GHXDTNLBPJPGHH-MRXNPFEDSA-N 361.442 2.766 0 50 FFAA CCCn1ncnc1-c1cccc(C(=O)N2CCc3n[nH]c(CC)c3C2)c1 584894137 RSLQPWPIHLZENZ-UHFFFAOYSA-N 364.453 2.839 0 50 FFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCCOc1cccc2cccnc12 827811795 WALZOUROHQRSAO-QGZVFWFLSA-N 361.401 2.605 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](c2ccccc2F)N(C)C)c1 952971690 KYIVCMGOPZHOBB-IBGZPJMESA-N 373.428 2.960 0 50 FFAA O=C(NCC(=O)N1CCCC1)c1ccc(CSc2ccccn2)cc1 952972019 WEEHLCSGRQRQRL-UHFFFAOYSA-N 355.463 2.726 0 50 FFAA Cc1cccc2cc(CO)c(N3CC[C@H](N4CCCCCC4)[C@@H](O)C3)nc12 1565527320 WHFZZQKXBYJCCE-PMACEKPBSA-N 369.509 2.851 0 50 FFAA O=C(O)[C@]12CN(CCc3cccc(F)c3)C[C@H]1CN(Cc1ccccc1)C2 1565528941 IBSQYJUHQTYHLH-UGKGYDQZSA-N 368.452 2.887 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cnn4ccccc34)C[C@@H]2N(C)C)cc1 1565527022 CDXWNVYWELVLQF-QUCCMNQESA-N 364.449 2.513 0 50 FFAA CCC[C@H]1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C[C@@H]1N(C)C 1565526840 NSUKAVZGZPQBJS-KXBFYZLASA-N 356.470 2.888 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cn1 1565529018 NIMHDRMKSOMMOJ-UXHICEINSA-N 364.493 2.954 0 50 FFAA O=C(NS(=O)(=O)[C@H]1CCCOC1)c1cc2c(s1)CCCCCC2 408409341 WXZFNRYGMSNEEI-ZDUSSCGKSA-N 357.497 2.646 0 50 FFAA O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)c1cncc(Cl)c1 408501918 YSTLHFVMNGVOIM-UHFFFAOYSA-N 370.780 2.916 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)C2CCC(C(F)(F)F)CC2)c1CC 278344305 FYVPFXPRERBGMG-UHFFFAOYSA-N 359.392 2.880 0 50 FFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1cnn(Cc2ccccc2)c1 170592503 LRZXXJURTOBIIZ-IBGZPJMESA-N 360.417 2.595 0 50 FFAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)ccc1C 170600629 DBEIDCBBDVWAPO-AWEZNQCLSA-N 350.415 2.698 0 50 FFAA O=C(NCc1cccnc1OC1CCCC1)[C@@H]1COCCN1CC1CCC1 187267824 HHEBDJUBXULOLE-IBGZPJMESA-N 373.497 2.520 0 50 FFAA CC(=O)NC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 188827159 DGINZWJXQYPEKH-UHFFFAOYSA-N 352.847 2.532 0 50 FFAA CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CCOc2c(F)cccc21 189262784 SNMOCZDQCWTZAU-INIZCTEOSA-N 372.396 2.594 0 50 FFAA Cc1cncc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)c1 189758442 RVJILKSXDYPIPC-UHFFFAOYSA-N 359.495 2.513 0 50 FFAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2cn3cccnc3n2)cc1 761712577 IIZHBJIAHKFHTN-AZUAARDMSA-N 352.438 2.610 0 50 FFAA COc1cccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1C 1529168051 UYNOIKBVYNHFDJ-UYAOXDASSA-N 366.461 2.902 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)c1nccc(N2CC[C@@H](O)C2)n1 1529153755 UZPAOZCTAWGZGF-CQSZACIVSA-N 352.360 2.703 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)oc2c1 1800411721 MJIPRWPWPNIALJ-OAQYLSRUSA-N 363.417 2.945 0 50 FFAA C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NC1CCCC1 5014587 WPSQHORIQFMOMA-JTQLQIEISA-N 351.863 2.855 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)c2cccs2)C1 11841638 BCIOSZJDDMBLQK-CQSZACIVSA-N 372.494 2.818 0 50 FFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccnn1C 12052989 MUSJSBUHHAALFN-INIZCTEOSA-N 358.461 2.586 0 50 FFAA CC(=O)Nc1cccc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)c1 12057637 GQAJKJDQPXXAOY-IBGZPJMESA-N 356.397 2.868 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 12442872 DQDRKUJJDBDRLM-CQSZACIVSA-N 360.410 2.621 0 50 FFAA Nc1cc(=O)[nH]c(SCCCOc2ccccc2Br)n1 16527208 TZWKZPZRUAUPPU-UHFFFAOYSA-N 356.245 2.676 0 50 FFAA CN(C(=O)c1nnn(-c2cccc(Br)c2)c1N)c1ccccc1 16647706 HXSYXKYCFQJTGC-UHFFFAOYSA-N 372.226 2.889 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1 19595048 FFHSUCFCAFGRJN-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA biogenic,in-vitro Cn1c([C@@H]2CCCN(C(=O)c3ccn4ncnc4c3)C2)nc2ccccc21 1857674044 YORQKGYCILKWNN-OAHLLOKOSA-N 360.421 2.636 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3C[C@@H]3CNCCO3)s2)c1 1857707007 VYMAIRMTXCWZND-HNNXBMFYSA-N 356.451 2.671 0 50 FFAA Cn1c(C(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc2cccc(Cl)c21 1857729083 UYPQMEUOTMVPSK-VKJFTORMSA-N 373.884 2.813 0 50 FFAA COC1(C(=O)N2CC=C(c3ccccc3)CC2)CCN([C@@H]2CCOC2)CC1 1857732431 QIEXGQMQRPCIGO-HXUWFJFHSA-N 370.493 2.572 0 50 FFAA Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 331588978 GSWBFTVWCUYEGY-GFCCVEGCSA-N 367.236 2.652 0 50 FFAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc(Br)cc2C1 765293984 QRQJLVHBDHHDBO-ZBEGNZNMSA-N 364.287 2.957 0 50 FFAA C[C@H](C(=O)O)N(C)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 408513537 VCRSHTUKJFJQGO-BXUZGUMPSA-N 369.259 2.518 0 50 FFAA O=C1C[C@]2(CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CN1 333163272 OBVDTLXXDNIAEW-FGZHOGPDSA-N 369.509 2.636 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c(C)n1Cc1ccccn1 907953545 RDGYDQBETHMZDF-QGWWYQLQSA-N 367.449 2.777 0 50 FFAA CN[C@H](CC(C)(C)C)C(=O)NS(=O)(=O)C1CCC(C(F)(F)F)CC1 1875283245 KWAJTLWBYMJTPL-HTAVTVPLSA-N 372.453 2.578 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3OCC(C)(C)O)n[nH]c21 1875293036 AGSKANXHBCXZQC-OLZOCXBDSA-N 373.453 2.512 0 50 FFAA COc1cccc(C2CN(C(=O)c3c4c(nn3C)[C@H](C)O[C@H](C)C4)C2)c1 1875314866 XJEVOAQENUJOMH-OLZOCXBDSA-N 355.438 2.691 0 50 FFAA COC1CC(CS(=O)(=O)N[C@@H]2CC(C)(C)[C@@H]2OCc2ccccc2)C1 1875396645 PVHFZTRFRQDDFG-OPQOLIRYSA-N 367.511 2.715 0 50 FFAA C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)[C@H]1[C@H]2CC[C@@]1(c1cccnc1)C2 1875392280 CIZBIJMNPSSKAU-GIZNFTCKSA-N 354.372 2.928 0 50 FFAA O=C(Nc1c[nH]nc1-c1nccs1)c1ccn(CCC(F)(F)F)n1 1875332480 UHRFKODESCBPFH-UHFFFAOYSA-N 356.333 2.934 0 50 FFAA CC1(C)CN(Cc2nsc3ccccc23)C[C@@H]1NC(=O)c1cocn1 1875407391 YTJMWJAYPGSCSI-INIZCTEOSA-N 356.451 2.925 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)CS1(=O)=O 888101653 MIZHDWZYROCLND-KBXIAJHMSA-N 368.474 2.727 0 50 FFAA CC1(C)CN(C(=O)c2cccc(I)c2)CC(C)(C)N1 2325720342 QILVLNPFCBNDNS-UHFFFAOYSA-N 372.250 2.894 0 50 FFAA COC[C@@]1(NCc2coc(-c3ccc(Br)cc3)n2)CCNC1 2325799808 YWOZUZYGNUSLPW-MRXNPFEDSA-N 366.259 2.572 0 50 FFAA CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCCCN2 2325866840 BOXSJTYCHBBGSS-ZTFGCOKTSA-N 355.482 2.812 0 50 FFAA CCN(CC)CC(=O)N(C)CCCN(C)Cc1ccc2ncccc2c1 2325867855 HMJINUOZLHEGHM-UHFFFAOYSA-N 356.514 2.857 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 810410 SVCQOWSAPNYXKB-MRXNPFEDSA-N 351.406 2.632 0 50 FFAA COC(=O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 1125298 LXMNREZIBYTQSG-UHFFFAOYSA-N 355.799 2.693 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(C)c2)cc1 1174401 AQXLDVTYVDYFJF-UHFFFAOYSA-N 358.463 2.777 0 50 FFAA Cc1c(NC(=O)COc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 1217678 BLMBJICAZFBVET-UHFFFAOYSA-N 355.369 2.641 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nc(C3CC3)nn2CC1 2356136772 JHVVVZOFBAJBHA-AWEZNQCLSA-N 354.454 2.621 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nc4c(cc3C(=O)O)CCC4)C1)CC2 2356148580 GYUKITKXVNTXOW-NRFANRHFSA-N 364.449 2.851 0 50 FFAA COc1ccc(-c2c(NC(=O)COC[C@@H]3CCCCO3)n[nH]c2C)cc1 2356165370 FKROXXDBFHLFCK-INIZCTEOSA-N 359.426 2.918 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356168456 DXVPEBUSBMLHTP-OAQYLSRUSA-N 372.465 2.514 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(C)n(C(F)F)n2)C1=O 2356169263 XZMQAUGLROHLQL-KRWDZBQOSA-N 354.401 2.594 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 101265938 GVJISLXLOXRZHU-NBLIUIFLSA-N 366.339 2.675 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@H]2CCN(C)C2=O)n1 23478090 YGKURHKOJLAMIC-KRWDZBQOSA-N 362.437 2.589 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@H]1O 65394153 CQOFJTCCQFJEBV-IUODEOHRSA-N 360.483 2.543 0 50 FFAA C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1nc2c(s1)CCCC2 65506963 ZYJHZEQHRVPNQO-NSHDSACASA-N 354.435 2.521 0 50 FFAA O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1cc(C(F)(F)F)n[nH]1 12299389 CSIJEBSNMYLAEU-AWEZNQCLSA-N 366.387 2.865 0 50 FFAA CN(C)C(=O)c1cccc(NC(=O)CN2CC[C@@H](C(F)(F)F)C2(C)C)c1 252522981 BOSNSZVZPBYTCE-CQSZACIVSA-N 371.403 2.990 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)CC2(n3cccc3)CCOCC2)ccc1F 409414147 OCDAJKRHDKNDCJ-UHFFFAOYSA-N 373.428 2.864 0 50 FFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1cscn1 72157993 XEVAJWGXDDLGOC-KBPBESRZSA-N 366.450 2.758 0 50 FFAA CCc1cc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n[nH]1 328607794 XEQRVTHNJZNTNC-BFUOFWGJSA-N 355.442 2.502 0 50 FFAA O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CC[C@H](c2ccccc2)C1 121693954 ZTJJWRTXOVDFKQ-IBGZPJMESA-N 355.482 2.930 0 50 FFAA COc1cnccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 478492952 VWBVVENJFMSDIB-ZWKOTPCHSA-N 351.450 2.851 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72129554 PKKXLYGFZHPWCM-JOCHJYFZSA-N 372.428 2.998 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cnc3cccnn23)CC1 72454271 RQQPAHRGHIHGPC-UHFFFAOYSA-N 363.465 2.508 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)CN(C)c3ccccc3)cn2)c1 72424282 FXWPHEHVNPDWJM-UHFFFAOYSA-N 364.449 2.976 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)cc1C 72426612 IEJTUBBYJYSTKA-LJQANCHMSA-N 370.493 2.981 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 72139315 OHRCWGZMDMLVNF-UHFFFAOYSA-N 350.344 2.766 0 50 FFAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N(Cc1ccsc1)C1CC1 77460007 AZLRWNGMYJYDMF-HNNXBMFYSA-N 359.499 2.677 0 50 FFAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c1F 71756781 NXWIPQZWNIXMCK-UHFFFAOYSA-N 365.382 2.640 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nc2ccccc2n1C 215843770 FLNSUTALILBPKU-MRXNPFEDSA-N 366.469 2.586 0 50 FFAA COc1ccc([C@@H]2CN(C3CCN(C)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71765485 XLRPCBBNRJMUSG-BHDDXSALSA-N 355.526 2.651 0 50 FFAA Cc1ccc(-c2cccc(CN3CCN(CC(=O)N4CCCC4)CC3)c2)o1 216355076 CNTSZFAYKVSCSS-UHFFFAOYSA-N 367.493 2.995 0 50 FFAA Cc1ccc([C@@H]2CN(Cc3cc(C#N)n(C)c3)C[C@H]2NC(=O)C2CC2)cc1 77437865 KSKUZEPGWYRNLT-LEWJYISDSA-N 362.477 2.699 0 50 FFAA Cc1nc([C@@H]2CCCCCN2C(=O)c2csc(S(C)(=O)=O)c2)no1 378605987 HVGWAMMUQSNKPI-LBPRGKRZSA-N 369.468 2.601 0 50 FFAA O=C1NCCc2ccc(CNC(=O)[C@H]3C[C@@]34CCCc3ccccc34)cc21 332855065 FZJPXVHJPFDUPV-NFBKMPQASA-N 360.457 2.883 0 50 FFAA CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1 236639873 BDLSUFOIEDDVJY-UHFFFAOYSA-N 374.890 2.579 0 50 FFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1CCn1cccn1 219448712 QSGQLMKJLVNIPX-HXUWFJFHSA-N 368.481 2.805 0 50 FFAA C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Nc2ncccn2)cc1 444419520 ZDLZSGNHDBMKIE-GFCCVEGCSA-N 351.366 2.570 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(C(=O)O)cc1 236742874 BXRVATDQXFJPJZ-UHFFFAOYSA-N 352.394 2.949 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2ccccc2N2CCOCC2)N(C)C)cc1 509940124 UJRJQKDDQOBQHJ-NRFANRHFSA-N 367.493 2.864 0 50 FFAA CC[C@H](Nc1nc(-c2ccco2)nc2c1CCNCC2)c1cnn(C)c1 72425343 FNSTYGCBZMHWBV-HNNXBMFYSA-N 352.442 2.722 0 50 FFAA Cc1ccc(C[C@H](CO)CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 239882149 DAONPSODHJBUFQ-IBGZPJMESA-N 369.461 2.666 0 50 FFAA CC1=C(C)C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@@H](C(=O)O)C1 17073967 KYZBFBFWBZDZAH-ROUUACIJSA-N 358.438 2.909 0 50 FFAA CN1CCCC[C@@H]1CCNC(=O)c1ccc(NCc2cccnc2)nc1 19218225 VMLIOXRSRAGVBX-GOSISDBHSA-N 353.470 2.693 0 50 FFAA C[C@H](O)c1cc2n(n1)CCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2 222507522 KMHURZKMNKOBGD-AWEZNQCLSA-N 369.465 2.625 0 50 FFAA COc1ccccc1C1CCN(C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC1 426383124 KRNYYFVTHUXGQH-KRWDZBQOSA-N 373.497 2.843 0 50 FFAA COc1cccc(OC2CN(C(=O)COc3ccc(C(C)=O)cc3)C2)c1 220230577 POONMEHLRJKMMQ-UHFFFAOYSA-N 355.390 2.566 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cc1C 20608116 WYRUZPNKTQTBQA-UHFFFAOYSA-N 372.288 2.620 0 50 FFAA O=C([C@@H]1CCCN1C(=O)C1(c2ccccc2)CCCCC1)N1CCOCC1 426438768 DOVOWRIJKYKIGK-IBGZPJMESA-N 370.493 2.738 0 50 FFAA CCc1cc(Cl)ccc1NC(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 426589839 WJXXNXRGYDCHMG-LBPRGKRZSA-N 373.906 2.696 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 95520258 DBZNFIADCAMWSJ-HNNXBMFYSA-N 367.453 2.734 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1C(F)(F)F)N1CCC[C@H]1CO 95524695 UYMBCECCCWMLCX-ZDUSSCGKSA-N 368.359 2.939 0 50 FFAA C[C@H](NC(=O)CCc1cn2ccccc2n1)c1ccc(S(C)(=O)=O)cc1 97813730 PGPKZMUWTCQESP-AWEZNQCLSA-N 371.462 2.548 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)c1ccc([C@H]3CCCO3)s1)CC2 426500362 XJIZKFVCEJQDPY-CQSZACIVSA-N 359.451 2.645 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCOC[C@@H]3CO)cc2)c1 96165629 OHAGTFFDHQALQU-HNNXBMFYSA-N 358.394 2.713 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(Cc1ccccc1F)C2)N1CCCC1 91390853 IATSUESPNKVWIJ-UHFFFAOYSA-N 370.472 2.983 0 50 FFAA CC(=O)N1CCC(c2nc(-c3ccccc3)nn2CCc2cnc[nH]2)CC1 97696113 SGBNLFCGYAXDPN-UHFFFAOYSA-N 364.453 2.637 0 50 FFAA CC(C)N1CCC2(CC[C@H](CNC(=O)Cn3cc4ccccc4n3)O2)CC1 243885662 ABGNJQPUKOBGJH-GOSISDBHSA-N 370.497 2.575 0 50 FFAA CCn1c(C(=O)NS(=O)(=O)N2CCc3ccccc32)cc2ccccc21 1326762662 NALXWKDEZYXSEM-UHFFFAOYSA-N 369.446 2.699 0 50 FFAA CCOc1ccc([C@H]2CCCN2C(=O)CC(=O)NCC(F)(F)F)cc1 181844143 OPZXISJZHXUCNB-CQSZACIVSA-N 358.360 2.817 0 50 FFAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cccc(-c4ccco4)c3)C2)n1 253535024 AECAPWBGUHKCAH-OKILXGFUSA-N 350.378 2.700 0 50 FFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1ccc3[nH]ccc3c1)CC2 299755924 GDJPAWJXJCBMDK-IMFGXOCKSA-N 358.438 2.781 0 50 FFAA CC[C@H](C)C(=O)C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 299766363 CZFZKJISMHLTAG-XHDPSFHLSA-N 373.840 2.832 0 50 FFAA COc1ccc(-n2nc(C)cc2NC(=O)NCc2noc(C3CC3)n2)cc1 299786860 RCHLXUFJPYUNMS-UHFFFAOYSA-N 368.397 2.771 0 50 FFAA Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCCN1C1CCN(C)CC1 299774723 HUPGVGVYEJFTNT-NRFANRHFSA-N 368.525 2.625 0 50 FFAA Cn1cc(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc21 827855637 PYRSFKAOIGKJGO-INIZCTEOSA-N 365.433 2.735 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 584900204 DYRLVIGSWMWSJN-MRXNPFEDSA-N 351.466 2.857 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)NCCC(=O)N3CCC(C)CC3)[nH]c2c1 584894708 QRYIWMANMZSVQR-UHFFFAOYSA-N 371.485 2.661 0 50 FFAA Cc1cc(NC(=O)c2ccc3c(=O)n(C)cnc3c2)cc2sc(N)nc12 952967552 IAZCQDBANVSKNM-UHFFFAOYSA-N 365.418 2.686 0 50 FFAA CCCN1CC[C@@H]2N(C(=O)c3ccc4scnc4c3)CCC[C@@]2(CO)C1 1565530329 GZRYTGKNWTYORD-ICSRJNTNSA-N 373.522 2.995 0 50 FFAA COC[C@@H]1[C@H](NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@H]2CCO[C@@H]12 1565516294 ULSDRBMHJVDTGR-BQGCOEIASA-N 361.829 2.510 0 50 FFAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 269652882 DQLFIQRNIYYSOX-IRXDYDNUSA-N 369.490 2.608 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCOc2cccc(F)c2C1 408473782 IKZTWNJWWZMNLA-CXAGYDPISA-N 359.401 2.541 0 50 FFAA O=C(c1cccc(OCC(F)F)n1)N(Cc1ccccc1)Cc1c[nH]nn1 170614501 YMMOUWBWAIJEFF-UHFFFAOYSA-N 373.363 2.686 0 50 FFAA Cc1[nH]c2c(C(=O)OCCCn3nc4ccccn4c3=O)cccc2c1C 170633954 QMLGZRHEUWDUMI-UHFFFAOYSA-N 364.405 2.841 0 50 FFAA COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N(C)C2CCCC2)C(C)C)c1 170610583 QCUPNDRHNVJKAY-GOSISDBHSA-N 362.470 2.859 0 50 FFAA Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)nc(C(F)(F)F)n1 186230257 MLLRNOAWQYHQDI-LLVKDONJSA-N 364.327 2.660 0 50 FFAA O=C(Cc1c[nH]c2ncccc12)N(Cc1ccccn1)[C@@H]1CCCNCC1 186574896 UPOPTYGETZQEFA-GOSISDBHSA-N 363.465 2.671 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2cccc(F)c2F)CC1 192510084 FTBYIZXVRCUXLE-LLVKDONJSA-N 360.426 2.635 0 50 FFAA CCOc1ccccc1CN1CC[C@H](N(C)CCc2ccccn2)[C@@H](O)C1 1614377253 IPRYPIDFJKEZSL-SFTDATJTSA-N 369.509 2.590 0 50 FFAA Cc1noc(C)c1CCC(=O)NCC1CCN(c2ccncc2F)CC1 1506429650 VPIAHGLAKYOSBN-UHFFFAOYSA-N 360.433 2.791 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CC12CCOCC2 1775978397 SJMZKLSIYGSLIZ-AWEZNQCLSA-N 371.355 2.588 0 50 FFAA O=C(Cc1cccc(Cl)c1)N1CCCN(CC[C@@H]2CCOC2)CC1 1772707214 WWWZYHNLGNJXJU-MRXNPFEDSA-N 350.890 2.843 0 50 FFAA CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C3CCC3)CC2)c1 11817507 GIXUSRWALRCGDM-UHFFFAOYSA-N 359.514 2.716 0 50 FFAA COc1ccc(Cn2cc(C(=O)NCc3cccc(SC)c3)nn2)cc1 12204398 DSGCGBUQMOEQEH-UHFFFAOYSA-N 368.462 2.987 0 50 FFAA CCCS(=O)(=O)N[C@H](C)c1cnc(N2CCCCCCC2)nc1C 12303914 UJCDTOFQMOQLEJ-OAHLLOKOSA-N 354.520 2.946 0 50 FFAA c1ccc(-c2noc(CN3CCC[C@H](OCc4cccnc4)C3)n2)nc1 12435376 KWWNYTKJSNINNM-INIZCTEOSA-N 351.410 2.708 0 50 FFAA CN(Cc1nccs1)C[C@]1(O)CCCN(CC2CCCCC2)C1=O 14980173 YZCOXXKQUDRVAO-GOSISDBHSA-N 351.516 2.509 0 50 FFAA COc1ccc(OC)c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1 16650074 WYJXHIMECDIRJO-UHFFFAOYSA-N 373.800 2.772 0 50 FFAA O=C(/C=C\c1ccccc1)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 17282165 OYSIKABTKLFMDM-LMVHVUTASA-N 363.672 2.845 0 50 FFAA Cc1n[nH]c(C)c1CN1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875243143 SJEDCKITVUFAPL-PZJWPPBQSA-N 371.481 2.687 0 50 FFAA O=S1(=O)C[C@H](O)[C@@H](n2ccnc2-c2cccc3c2oc2ccccc23)C1 214872144 RHUSHKCFAADFLI-HOTGVXAUSA-N 368.414 2.780 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237504931 YCWCHNQTQGJEBJ-SCZZXKLOSA-N 356.797 2.859 0 50 FFAA COc1cccc(CCNC(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11971595 RKUVCFSIVKCJMA-IBGZPJMESA-N 356.397 2.881 0 50 FFAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@@H](N2CCNC2=O)C1 368784935 TUYDSDINBVOJRO-CQSZACIVSA-N 374.828 2.625 0 50 FFAA C[C@H](CN(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(=O)O 262292250 HOTSFCYQXPNLNV-SECBINFHSA-N 366.215 2.632 0 50 FFAA O=C(CN1CCC[C@H]1C(=O)O)N[C@@H](Cc1ccccc1)c1ccccc1 262613516 CGYIKPPFNADDOF-OALUTQOASA-N 352.434 2.636 0 50 FFAA O=C(CCc1cc(F)ccc1F)NCc1ccnc(O[C@H]2CCOC2)c1 163058486 GKCHSWLVBNZZIF-INIZCTEOSA-N 362.376 2.777 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(S(C)(=O)=O)cc3)C1)CC2 1704326163 ZGUOPUOANKMQDM-FQEVSTJZSA-N 371.506 2.669 0 50 FFAA FC(F)(F)[C@]1(c2nc(-c3cnccn3)no2)CCN(c2ccccn2)C1 952894121 MDOLMKHTURRSNP-OAHLLOKOSA-N 362.315 2.632 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)C1 1875301554 MRCMLNGYIVXHSO-CZUORRHYSA-N 360.429 2.969 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 1875371943 QZVFUVRVWPPGQQ-SWLSCSKDSA-N 371.264 2.568 0 50 FFAA N[C@@H](CC(=O)O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 1875354117 ACNGOARUJDTEII-HNNXBMFYSA-N 351.362 2.768 0 50 FFAA Cc1noc(C2CCC(NC(=O)c3nn(C)c4c3C[C@@H](C)O[C@H]4C)CC2)n1 1875402951 NJHIUQMNGNKJGI-UJLSLHKQSA-N 373.457 2.590 0 50 FFAA C[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)c1cc(Cl)cc2c1OCC2 886695666 VVYMTBFRASQPNG-VIFPVBQESA-N 369.826 2.762 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 717332 ZGHLYLGNGAGADL-UHFFFAOYSA-N 364.401 2.764 0 50 FFAA O=C1Nc2ccccc2C(C2CCCC2)=N[C@@H]1C[C@H]1CCS(=O)(=O)C1 2325771682 FSKYXGKWQQJWCU-CXAGYDPISA-N 360.479 2.811 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CC[C@@](C)(F)CC1)CC2 2325792447 FBKDMJZNVUBZOA-GLRZTSSQSA-N 367.486 2.936 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](C)Cc1ccc2c(c1)C[C@@H](C)O2 2325792851 QLSXLQNTMXCSRU-CHWSQXEVSA-N 369.465 2.802 0 50 FFAA CC(C)SCC(=O)N(C)C1CC(NC(=O)[C@H](C)CC(F)(F)F)C1 2325794491 DCHFLQGCAPZXKX-VOMCLLRMSA-N 354.438 2.822 0 50 FFAA CC[C@@H]1C[C@@H]1C(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867850 HKUQJFBSYVFDDM-CJNGLKHVSA-N 359.470 2.543 0 50 FFAA COc1ccc(OC)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 721995 PVQKKACAIABWKH-UHFFFAOYSA-N 368.389 2.719 0 50 FFAA O=C(NCc1ccccn1)[C@@H]1CC(c2cccc(Br)c2)=NO1 814967 UHRFORUBJSJQCC-HNNXBMFYSA-N 360.211 2.654 0 50 FFAA COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1 822918 ROVPKKWNTHWXAM-UHFFFAOYSA-N 363.395 2.624 0 50 FFAA CCN1C(=O)N[C@@H](c2cc(Cl)cc(OC)c2OC)C(C(=O)OC)=C1C 1074842 STLRIJPFLVPOQN-AWEZNQCLSA-N 368.817 2.890 0 50 FFAA COc1ccccc1-n1c(=O)c2c3c(sc2n2c(C)nnc12)CCC3 1250877 SVFLYXUMXLYFKV-UHFFFAOYSA-N 352.419 2.901 0 50 FFAA Nc1ncccc1CN1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356149339 VVCJBRHRRXWTFC-NRFANRHFSA-N 350.466 2.821 0 50 FFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1 2869200 LUZIPHFJNJIHMY-UHFFFAOYSA-N 374.462 2.879 0 50 FFAA CN1[C@H]2CC[C@H]1CN(C(=O)COc1ccc(Oc3ccccn3)cc1)CC2 245437311 DTJGRGMYLXKJCB-IRXDYDNUSA-N 367.449 2.948 0 50 FFAA Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccco2)c2cccnc2)cc1 7997129 JMVPELHZYPTMBK-GOSISDBHSA-N 370.430 2.928 0 50 FFAA O=C(O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 8990891 CFSRMUFHIBSPNJ-UHFFFAOYSA-N 352.368 2.934 0 50 FFAA COc1ccc2onc(CC(=O)N3C[C@@H](OC)Cc4ccccc43)c2c1 415630945 OFZOUYWMYWBXCW-HNNXBMFYSA-N 352.390 2.983 0 50 FFAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2C=C[C@H]1C2 101278900 HRVUUKZCSCDEOB-LAQRGFTBSA-N 374.868 2.507 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1 104842697 JHWBPGXUJSEAHF-JOCHJYFZSA-N 367.493 2.661 0 50 FFAA O=C1CN(C(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)CCN1 20118805 CCWWFMIWNUMBNQ-UHFFFAOYSA-N 374.444 2.566 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2ccc(-n3cnnc3)cc2)c1C 65461582 VZGSMLDHHIOXGH-UHFFFAOYSA-N 351.410 2.560 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCN(CCO)CC1 20909865 RQXWKLPMUZLMRE-HXUWFJFHSA-N 372.896 2.999 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)Cc3ncc[nH]3)C2=O)cc1 67654874 VEPIOVXJSNSSEW-OAQYLSRUSA-N 370.497 2.519 0 50 FFAA CN(CC1(CO)CCCC1)C(=O)c1cc(COc2ccccc2F)[nH]n1 67982587 FZMSEDYFFVJJJJ-UHFFFAOYSA-N 361.417 2.753 0 50 FFAA Cc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 65364116 KKIXHPBPKGLRNO-UHFFFAOYSA-N 368.405 2.986 0 50 FFAA CCn1ccnc1CN(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 67690429 XGJSHVVLDCTINC-UHFFFAOYSA-N 357.389 2.616 0 50 FFAA Cn1ncc(NC(=O)c2ccc(Cl)cc2)c1C(=O)NCc1ccco1 2802978 XLMJVDMSXDHUQJ-UHFFFAOYSA-N 358.785 2.849 0 50 FFAA O=C(c1csc(-c2cnccn2)n1)N(C[C@@H]1CCCO1)c1ccncc1 172193822 VOCXGFPBKUNGLB-AWEZNQCLSA-N 367.434 2.821 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCOC[C@@H]2CC(=O)O)cc1 219320681 VBLJAJHOMZYXJX-SFHVURJKSA-N 353.418 2.902 0 50 FFAA COc1cccc([C@@H]2[C@@H](NC(=O)c3nnc(C)s3)CCN2C2CC2)c1 185516246 IKTUUSFTJVIGOL-JKSUJKDBSA-N 358.467 2.563 0 50 FFAA CCc1nc2cc(NC(=O)C(=O)N(C)Cc3ccc(O)cc3)ccc2o1 172539462 WABXATGLQNVJNB-UHFFFAOYSA-N 353.378 2.693 0 50 FFAA COc1ccccc1CN(Cc1ccncc1)C(=O)[C@@H](C)N1CCCC1=O 215355745 JLJOCIOYGWLVKI-MRXNPFEDSA-N 367.449 2.630 0 50 FFAA O=C(c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1)N1CCCC1 72410328 CRYXLPLAHPUHEO-UHFFFAOYSA-N 368.462 2.871 0 50 FFAA O=C1COc2ncc(C(=O)N3CCC[C@H]3CCc3ccccc3)cc2N1 378375463 YIQXMILRNCLRFW-INIZCTEOSA-N 351.406 2.650 0 50 FFAA Cc1cccc([C@H](NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)C(=O)O)c1C 263080635 PTAUFUUHAZYDFV-WBMJQRKESA-N 368.389 2.579 0 50 FFAA CCCCN(CC)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71751267 ZLJFYUFQANLLAD-MRXNPFEDSA-N 361.486 2.624 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(C)n1[C@H](C)c1ccccc1 237767554 OPYIERXDAYTHAS-RDTXWAMCSA-N 356.422 2.640 0 50 FFAA Cc1ccc(OC(F)F)c(CNC(=O)c2ccc(N3CCCC3)nn2)c1 129204882 QKFFMDYNKFEUTN-UHFFFAOYSA-N 362.380 2.917 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4ccccn4)C3)CCC2=O)cn1 77301368 GPDVHYZYTXBDPS-HXUWFJFHSA-N 351.454 2.589 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC1CCN(C(=O)C2CCC2)CC1 223781088 JSIDELXLAFWDGQ-MOPGFXCFSA-N 350.503 2.507 0 50 FFAA COc1cc2c(cc1CN1CCCn3nc([C@H](C)O)cc3C1)OCCCO2 221244736 LFGMBTQHLYQPEA-AWEZNQCLSA-N 373.453 2.512 0 50 FFAA COc1ccc(C)cc1CS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1C 178304535 YNRXYCNWJGAQKE-RDJZCZTQSA-N 367.511 2.956 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1)c1ccnn1C 426374140 HMLOXRVQGOASEB-INIZCTEOSA-N 364.453 2.824 0 50 FFAA CN(C)C(=O)Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)cc1 426699860 DEEYLCFYBRKPAG-FQEVSTJZSA-N 366.461 2.581 0 50 FFAA C[C@H](c1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1)N1CCCCC1 97696272 QLFMKFKQHUTWGA-MRXNPFEDSA-N 369.469 2.579 0 50 FFAA COc1ccc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 92002395 CTQMDIPVSYHUOM-PKOBYXMFSA-N 370.493 2.877 0 50 FFAA COc1cc(OC)nc(-c2cccc(C(=O)NCCC[C@@H]3CCOC3)c2)n1 426651928 AYCMVFHZDXMBGH-CQSZACIVSA-N 371.437 2.707 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 97492535 PNEWBQOOCDWIJI-OAHLLOKOSA-N 369.494 2.811 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c(O)n1 292215148 CZINRGPOBPZOEP-QGZVFWFLSA-N 366.465 2.751 0 50 FFAA COc1cc(OC)cc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95379804 PEXYBDHCHKLFKB-LJQANCHMSA-N 371.433 2.813 0 50 FFAA c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc4c(c2)OCCO4)C3)nc1 92096940 MMEMOKAJHYSLKG-AZUAARDMSA-N 365.477 2.949 0 50 FFAA c1cn2nc(N3CCN(Cc4ccc([C@H]5CCCO5)s4)CC3)ccc2n1 97729580 AVISTPMJXDOZDK-MRXNPFEDSA-N 369.494 2.965 0 50 FFAA CC(C)n1cc(CN(C)C(=O)CCc2nc(-c3ccncc3)no2)cn1 97527868 PTOAFRIYVZRIJM-UHFFFAOYSA-N 354.414 2.500 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3ccc(F)c(OC)c3)C[C@H]21 95362403 QRTYUUXLXFKLST-DYESRHJHSA-N 373.424 2.813 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@H]1CCn1ccnc1 91255627 ACFLPYDJDBLCKK-SFHVURJKSA-N 362.437 2.820 0 50 FFAA Cc1nn(C)cc1CN1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 91915221 CKQYUJSNXIMMRI-OAQYLSRUSA-N 367.497 2.528 0 50 FFAA COc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 95522530 BPTONZJJHAGJGV-OAHLLOKOSA-N 350.426 2.509 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCCSCc1[nH]cnc1C)n2C 91644241 GJRWUCLZECRQFJ-UHFFFAOYSA-N 358.467 2.882 0 50 FFAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2F)C1 92081493 LQRNYJSSGVBOEB-OAHLLOKOSA-N 374.456 2.734 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCC(Nc3ccccn3)CC1)C2 91327095 GVKIIZVBMJYTJH-INIZCTEOSA-N 367.449 2.744 0 50 FFAA CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cnc2c(c1)nnn2C 182703800 VAQZNJKMPZSTJI-UHFFFAOYSA-N 365.315 2.534 0 50 FFAA COC(=O)c1ccc(-c2nc(CN(C)Cc3nnc(C)o3)c(C)o2)cc1 42489165 UHWVZNWGAPIDBU-UHFFFAOYSA-N 356.382 2.760 0 50 FFAA CN1C[C@H](CN(C)C(=O)Nc2ccccc2CCc2ccccn2)CC1=O 299791674 GBMRSPFDZJUFKI-MRXNPFEDSA-N 366.465 2.809 0 50 FFAA Cc1cc2nc(CCC(=O)N3CCN(C4CCCC4)C(=O)C3)[nH]c2cc1C 299757958 IXGNDTCYAMRUSN-UHFFFAOYSA-N 368.481 2.726 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN1CC(Oc2c(C)cccc2C)C1 299790589 SUJGKRQEDWSIHL-UHFFFAOYSA-N 367.449 2.964 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CC[C@](O)(CN(C)C)C3)c2)ccc1F 299769712 TZFHXAXKLAYIST-NRFANRHFSA-N 356.441 2.940 0 50 FFAA Cc1ccn2cc(CNS(=O)(=O)c3cc(-c4ccno4)cs3)nc2c1 670435031 HTJRWHAZNLNYCJ-UHFFFAOYSA-N 374.447 2.838 0 50 FFAA COCc1nc(CCc2c(C)nn(C)c2C)n(Cc2ccc(F)cc2)n1 670462288 FDSHNQUHBBEVJM-UHFFFAOYSA-N 357.433 2.747 0 50 FFAA Cc1sc2ncn(C[C@]3(O)CCCNC3)c(=O)c2c1-c1ccc(F)cc1 670461940 GMEZQIRWUKBCLC-IBGZPJMESA-N 373.453 2.687 0 50 FFAA O=C(CSc1ncccn1)NCCN1CCC[C@@H](c2ccccc2)C1 670444888 YLDUWDPBLMHPHO-QGZVFWFLSA-N 356.495 2.565 0 50 FFAA CCN1C[C@H](c2nc(-c3ccc(F)cc3)nn2CC(F)(F)F)CC1=O 952864090 XYHCAYUDDFZOKZ-LLVKDONJSA-N 356.323 2.982 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 165380480 OCSFIRVUOAKSQQ-CQSZACIVSA-N 373.478 2.836 0 50 FFAA CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 222058228 YAINDUZPDCUSGM-JSGCOSHPSA-N 372.391 2.971 0 50 FFAA CCCN(CCCN(C)C)C(=O)[C@@H](c1ccccc1)N1CCCCC1=O 170605739 NGXYLQCAZUIBPC-HXUWFJFHSA-N 359.514 2.931 0 50 FFAA Cc1ccccc1SCC(=O)N1CCC(c2nc(N(C)C)no2)CC1 170601765 JSFWNNKJSRVPTB-UHFFFAOYSA-N 360.483 2.942 0 50 FFAA Cc1nc(C(=O)N(C[C@H]2CCCN2)C2CC2)nn1-c1ccc(Cl)cc1 186488510 ZZPWKLLPVOCSPL-CQSZACIVSA-N 359.861 2.586 0 50 FFAA O=C(c1cc2c(s1)CCOC2)N1Cc2cnnn2Cc2ccccc21 189020269 XTACNKFOFZPPEI-UHFFFAOYSA-N 352.419 2.621 0 50 FFAA CON(C)C(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1 729250731 ZYMSEWNSDGGFMN-KRWDZBQOSA-N 353.378 2.776 0 50 FFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cn1 189644994 HZQNSURKDGWEJV-OAHLLOKOSA-N 367.453 2.844 0 50 FFAA O=C(N[C@@H]1CCCc2c(O)cccc21)c1cccc(C(=O)N2CCCC2)n1 190270804 MEMDNXVVRKIJQT-MRXNPFEDSA-N 365.433 2.831 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)NCC(C)(C)c2cccs2)CC1 192482084 TVNVQKYRCDXUSA-UHFFFAOYSA-N 358.529 2.634 0 50 FFAA CCO[C@@H]1C[C@](NC(=O)Cn2c(C)cc3ccccc32)(C(=O)O)C1(C)C 193042577 MNSBEHBROWVQJN-UZLBHIALSA-N 358.438 2.724 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)cn1 1615738881 ADPHUSGCIOVMFA-JXFKEZNVSA-N 364.449 2.688 0 50 FFAA Cc1cc2nc(CNC3CCN(C(=O)c4cccnc4)CC3)[nH]c2cc1C 1506422320 QFCXSFHGAMZCQQ-UHFFFAOYSA-N 363.465 2.969 0 50 FFAA Cc1c(Cl)cccc1C(=O)N1CCCN(C(=O)c2cncc(O)c2)CC1 1529179519 BULCIDVGZYQVFB-UHFFFAOYSA-N 373.840 2.737 0 50 FFAA O=C(O)c1cccc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1 1529188792 DCARMJXOEJYDRY-WIYYLYMNSA-N 362.429 2.968 0 50 FFAA O=C1CO[C@H](C(=O)N(Cc2ccccc2)CC2CC2)[C@@H](c2ccccc2)N1 1529152523 MJVGPKJOQKKXHF-RTWAWAEBSA-N 364.445 2.682 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H](C)n1c(C)nc2ccccc21 1704309295 MZLGCCQYBIHVHP-HNNXBMFYSA-N 368.485 2.528 0 50 FFAA CCc1cc(CN2CCCN(C(=O)COc3ccccc3C)CC2)on1 1775983356 WJBJDLKYLGHBSF-UHFFFAOYSA-N 357.454 2.659 0 50 FFAA COC(=O)CCCNC(=O)c1csc2nc(-c3ccccc3OC)cn12 12430683 HEBANGKIIBDJDE-UHFFFAOYSA-N 373.434 2.754 0 50 FFAA COc1ccccc1OCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12574464 QFIOLFGQDLLBFW-OAQYLSRUSA-N 358.482 2.799 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)NCc2cnc(C)cn2)no1 12708057 XSZRUVHJKKHGQI-UHFFFAOYSA-N 368.393 2.599 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(CC3CCC3)C2=O)c(F)c1F 14980581 SBTKWRMGMKBRDM-IBGZPJMESA-N 352.425 2.516 0 50 FFAA COc1ccc(CN2CCC3(CC2)C[C@H]3C(=O)NCc2ccco2)cc1O 15001170 SBUBNKAHIWCECW-KRWDZBQOSA-N 370.449 2.912 0 50 FFAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cccc(F)c4)C3)nn2)n1 169778163 LHECICIKTWUALX-AWEZNQCLSA-N 370.388 2.678 0 50 FFAA O=C1C[C@H]2N(Cc3cccc(OCc4ccccc4)c3)CC[C@]23OCCN13 1857722781 NTFAJZGTJWRIMD-IRLDBZIGSA-N 364.445 2.799 0 50 FFAA N=c1[nH]c2cc(C(=O)NCc3csc(N4CCCC4)n3)ccc2s1 1857736484 QUGDAIDQIWTUBH-UHFFFAOYSA-N 359.480 2.696 0 50 FFAA O=C1CCCN1c1ccc(CN2C(=O)[C@@]3(CCNC3)c3ccccc32)cc1 1875246896 GQDGYXUCQYTGSR-JOCHJYFZSA-N 361.445 2.591 0 50 FFAA Cn1cc(Cl)c(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 420899889 GVYBLPFWHFJFHF-UHFFFAOYSA-N 367.280 2.614 0 50 FFAA COCCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@H]1CC[C@@H](C)C1 331147183 ZSBQPCBIEREXEB-HIFRSBDPSA-N 353.484 2.676 0 50 FFAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237281951 ISOKCXGKPFJQHS-SNVBAGLBSA-N 356.797 2.731 0 50 FFAA Cc1ccc(Cc2nnn(CC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 252479019 AZOPXFNFVFGEKO-AWEZNQCLSA-N 353.401 2.589 0 50 FFAA O=C(NCCOc1ncc(Cl)cc1Cl)N1CCN(CC2CC2)CC1 150982569 BVPHHBFWKHDYCH-UHFFFAOYSA-N 373.284 2.504 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1ccccc1Cl 262371790 FNPMVPMQVYSLNX-CQDKDKBSSA-N 357.859 2.888 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1c1ccccc12 265699200 CSEDXNDLWJSKPL-OKZBNKHCSA-N 362.495 2.999 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccnc2)[C@@H](c2ccccc2)C1 837230759 GBJNPFXFZBIOCD-QGZVFWFLSA-N 370.453 2.704 0 50 FFAA COc1ccccc1NC(=O)NC1CCN(c2ncnn3cccc23)CC1 1875294521 ICBHMQKVHIPZNV-UHFFFAOYSA-N 366.425 2.528 0 50 FFAA CN(Cc1cccc(OCC(=O)O)c1)C(=O)[C@@H]1CCc2ccccc2N1 1875304405 JMERMWVIRBOZGS-SFHVURJKSA-N 354.406 2.535 0 50 FFAA C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccccc2CN)C1=O 1875315047 GEPOZELDBGQCBG-AUUYWEPGSA-N 369.440 2.766 0 50 FFAA C=CC(=O)N1CCC(C(=O)O[C@H]2CCCc3cc(C(=O)OC)ccc32)CC1 1875382970 ZUFHITXTTFBWPA-SFHVURJKSA-N 371.433 2.818 0 50 FFAA Cc1nc(C(=O)N2C[C@H](NC(=O)CC3(C)CC3)[C@H]3CCCC[C@H]32)c(C)o1 1875408354 UERXGDCSPXGMDT-OWCLPIDISA-N 359.470 2.981 0 50 FFAA CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245328559 VEJRBKPBIUXEBF-KKUMJFAQSA-N 370.490 2.933 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Br 6659163 HBAHMRLURRGJSJ-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA CC(C)CCC(=O)N1CCCCNC(=O)C[C@H]2CCCCN2CCC1 2100533528 TYTLSYNWASWYLQ-GOSISDBHSA-N 351.535 2.796 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 2100537300 MEFUWOWIEDQKOC-AWEZNQCLSA-N 360.421 2.701 0 50 FFAA CCc1noc([C@@H](C)S(=O)(=O)Cc2cc(Cl)cc3c2OCC3)n1 2325732473 JDHIHSMNVJDFHF-SECBINFHSA-N 356.831 2.896 0 50 FFAA Cc1c(Br)cncc1N1C(=O)NC2(CC3(CCC3)C2)C1=O 2325777074 ADVNCTJPTNZRBI-UHFFFAOYSA-N 350.216 2.912 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(CC[C@H](C(F)F)N2CCOCC2)C3)cc1 2325803854 GNWSGNQZKATHKF-QWFCFKBJSA-N 350.453 2.924 0 50 FFAA O=C(N[C@H]1CNCc2nccn2C1)c1ccc(Oc2ccc(F)cc2)s1 2325857019 MFHSZRCZDNZJTR-ZDUSSCGKSA-N 372.425 2.778 0 50 FFAA c1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 2364050 ISIOXVRMGJKTOA-UHFFFAOYSA-N 363.406 2.558 0 50 FFAA O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 2626254 DGNKLXSLWGUNNE-UHFFFAOYSA-N 356.513 2.598 0 50 FFAA Cc1cc2nc3s/c(=C\c4ccc(C(=O)O)cc4)c(=O)n3c2cc1C 2817521 GPMDBZKVNFACPS-SXGWCWSVSA-N 350.399 2.772 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CCC(NC(C)=O)CC3)ncnc21 2356168900 GVSGRTDUCLRDTA-UHFFFAOYSA-N 372.517 2.930 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)CSc3nnc(C)s3)c2n1 55255678 FQVIDPIDILJDFH-UHFFFAOYSA-N 374.491 2.990 0 50 FFAA CO[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 225389511 NSPGMTOIQNDSOV-QJPTWQEYSA-N 366.512 2.930 0 50 FFAA CCOC(=O)c1ccc2c(c1)nc(CN1CCCC3(C1)OCCO3)n2CC 225574392 LFIAAFVXNCYPSA-UHFFFAOYSA-N 373.453 2.572 0 50 FFAA CCCN1C(=O)C2(CCN(C(=O)C(=O)CC(C)C)CC2)Nc2ccccc21 55270208 XQKIUMUXSPZNBX-UHFFFAOYSA-N 371.481 2.832 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCc1noc(-c2cccs2)n1 65457213 XFIQMMMIJNXLQN-UHFFFAOYSA-N 365.418 2.978 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCN(c3ccncc3)CC2)c(F)c1 67982713 GWOLNRDJNJMFMJ-UHFFFAOYSA-N 367.428 2.942 0 50 FFAA CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cccnc2-n2ccnc2)C12CCC2 118949048 PGXATSSZAVAATF-SJORKVTESA-N 369.469 2.756 0 50 FFAA CCCCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 67642276 NZTRVUVZSFJPBA-SFHVURJKSA-N 358.530 2.674 0 50 FFAA CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc(C)c(C)c2)c1C 1427201 YEGZSRDPPSZRIL-UHFFFAOYSA-N 359.426 2.697 0 50 FFAA CCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C(N)=O 2748011 TWUHROWNDZUETP-UHFFFAOYSA-N 360.361 2.722 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc([S@@](C)=O)cc2)n1C 328655153 YBXKVDHBZDVREH-HFJWLAOPSA-N 373.522 2.849 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77376840 XARXFELCCHYPHK-OAHLLOKOSA-N 350.382 2.709 0 50 FFAA COc1ccc(C(=O)CCC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1 215725885 KRWUPOFDMXCSIZ-MRXNPFEDSA-N 361.438 2.503 0 50 FFAA CCOc1ccc(CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cc1 71315055 YNFNFDUOZACPEO-UHFFFAOYSA-N 354.450 2.841 0 50 FFAA CCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(OC)cn2)CC1 452060486 RLFZRHBUXGSFNF-UHFFFAOYSA-N 368.481 2.722 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)c1C 72423889 LSNZRCXBYNPULJ-UHFFFAOYSA-N 369.494 2.918 0 50 FFAA CN(CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)Cc1ccncc1 72469267 OPQZJDKBEHMOQW-KRWDZBQOSA-N 363.465 2.796 0 50 FFAA Cn1cc(C[C@@H]2CCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C2)cn1 363588611 HLBXIQMQAQPMQT-AWEZNQCLSA-N 367.453 2.865 0 50 FFAA CCCCOCC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71661835 DANSIMVFUXJIAD-UHFFFAOYSA-N 368.481 2.911 0 50 FFAA Cc1ccc(-c2[nH]ncc2CN2CCC[C@@H](CN3CCN(C)CC3)C2)cc1 216074012 GZUGFCQEBJOBMZ-IBGZPJMESA-N 367.541 2.845 0 50 FFAA O=C(O)C1(Oc2ccc(F)cc2)CCN(c2ncnc3[nH]ccc23)CC1 72410170 NRUGLSIAWIRXCU-UHFFFAOYSA-N 356.357 2.600 0 50 FFAA O=C(COc1ccccc1)N(Cc1nccs1)[C@H]1CC12CCNCC2 261719975 NLHADHGHESJCLJ-INIZCTEOSA-N 357.479 2.693 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)cc1 77391300 DAIJRJTUSRUZPV-UHFFFAOYSA-N 369.465 2.991 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 71746347 YNAJQXMHJDYAGB-SFHVURJKSA-N 354.450 2.801 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](C(=O)O)C2)c1 237641034 RWQQZNUFYYIUNU-HNNXBMFYSA-N 358.394 2.807 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)cc2)n1 237745549 WOTCTAMLQZLILK-QGZVFWFLSA-N 363.373 2.697 0 50 FFAA CC(C)(C)c1ncc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cn1 172888902 XKZIKXPKSATATR-UHFFFAOYSA-N 367.453 2.660 0 50 FFAA CN(Cc1cc(C2CC2)on1)c1nccc(-c2cc(C(=O)O)ccn2)n1 77287795 ZGSOLKJTRCAVKW-UHFFFAOYSA-N 351.366 2.739 0 50 FFAA Cc1cc([C@@H]2CCCN(C(=O)Nc3cc([C@@H]4CCCO4)nn3C)C2)[nH]n1 283588948 LOGACGSQYPHKJU-CJNGLKHVSA-N 358.446 2.715 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(F)F)C(=O)O 262440489 GTHZMSJIQDYKPT-RCOVLWMOSA-N 356.152 2.985 0 50 FFAA CN(Cc1nccs1)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 80672453 GDFLGJZKRVQLEP-OAHLLOKOSA-N 358.467 2.589 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCCN(c2ccccc2C)CC1 220584521 GWLAUHPRMCOALD-HXUWFJFHSA-N 368.477 2.782 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 288103606 XAUGQOHHDVLKTP-LDTOTXGLSA-N 352.434 2.880 0 50 FFAA O=C(c1ccc(-c2ccncc2)cc1)N1CCN(CC2CC2)[C@@H](CCO)C1 426490231 MFZKSFMOKPEOAE-NRFANRHFSA-N 365.477 2.667 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 82097564 VJSNVOCSWYLYLS-QGZVFWFLSA-N 366.465 2.515 0 50 FFAA COc1cncc(-c2cccc(C(=O)N(C)C[C@H](C)N3CCOCC3)c2)c1 426549065 GFAFATBQANMYAX-INIZCTEOSA-N 369.465 2.550 0 50 FFAA Cc1ccc(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc1C 426726905 PGDNBBQPFPUVPV-UHFFFAOYSA-N 365.477 2.900 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 290267442 AUHUHIGNHHTWSU-ZFWWWQNUSA-N 359.861 2.718 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CC[C@]2(CCCN(CC3CCC3)C2)C1 426727058 ZCNXZGCYHGMKIF-QFIPXVFZSA-N 371.525 2.661 0 50 FFAA CCCC[C@H](CC(=O)O)NC(=O)N1CCN(c2cc(C)nc(C)c2)CC1 426371970 GRDXEXISRYAHRR-MRXNPFEDSA-N 362.474 2.564 0 50 FFAA CNC(=O)c1ccc(C)c(NC(=O)N(C)[C@H](COC)c2ccccn2)c1 96153308 PRRNOYNLMRXRHT-QGZVFWFLSA-N 356.426 2.601 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(O)c1)C2 91966209 WVMFHFOLJMZYJM-ZWKOTPCHSA-N 369.465 2.663 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cccc(Cn4cncn4)c3)C2)n1 426361925 KFGHVRPCXHTFPZ-GOSISDBHSA-N 365.441 2.619 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc3ccccc3c1)C2 92028868 BRWWSUDPTLWNHJ-QFBILLFUSA-N 352.434 2.688 0 50 FFAA NC(=O)c1ccccc1-c1ccccc1OC[C@H](O)CN1CCCCC1 96180153 GYAPSBHPQRVEGL-MRXNPFEDSA-N 354.450 2.678 0 50 FFAA O=C(OCc1ccccc1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 92019423 LYBOKHZYGDFYHH-NRFANRHFSA-N 372.465 2.817 0 50 FFAA CN1CCCN(C[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 91650598 RNUQCKSBYSIVON-NHCUHLMSSA-N 373.585 2.662 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)c1ncc(F)c(N2CCCC2)n1 96166571 GQWSEHGXXZHIIL-UHFFFAOYSA-N 354.389 2.902 0 50 FFAA CC(C)n1ccnc1CNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95505208 TYQQOMGWPVMCMI-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95361702 LRLUNVABJKFMSB-QGZVFWFLSA-N 365.458 2.961 0 50 FFAA O=C(Nc1ccc2c(c1)COC2)N1CCCN(C(=O)c2ccoc2)CC1 244882684 XWNOVQOEQFUQKU-UHFFFAOYSA-N 355.394 2.690 0 50 FFAA COc1nc2c(cc1CN1CCC[C@H](c3ncc[nH]3)C1)C(=O)N(C(C)C)C2 244787973 QHFDVKWLYRHNAW-AWEZNQCLSA-N 369.469 2.557 0 50 FFAA CCc1nc(C)c(C(=O)N[C@@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)o1 252536268 IALAHLJMUXGHIC-AHIWAGSCSA-N 362.401 2.935 0 50 FFAA O=C(O)[C@H](c1c[nH]c2ccccc12)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 263585531 JSDQWUZHRZGSJD-JZKQVHKSSA-N 363.417 2.575 0 50 FFAA biogenic Cc1ccsc1[C@H](CNC(=O)N1CCN(c2cccnc2)CC1)N(C)C 534635287 CWLQAQPKQHLRQY-KRWDZBQOSA-N 373.526 2.586 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)N(Cc3cnn(C)c3)C3CC3)c2)[nH]1 299782701 FXDPTCWCAOWPDO-UHFFFAOYSA-N 351.414 2.710 0 50 FFAA CCCc1cc(NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)nc(C)n1 299769024 ICXANIMSEWRFEG-UHFFFAOYSA-N 368.485 2.688 0 50 FFAA COc1cccc(-c2ccc(NC(=O)NC[C@@H]3CN(C)CCN3C)cc2)c1 299769042 IHTVEGHDSIDJMX-LJQANCHMSA-N 368.481 2.730 0 50 FFAA COc1cccc2c1OC[C@@H](N=c1nc[nH]c3sc(C(=O)O)c(C)c13)C2 649388442 GGDCVHVZINOADY-NSHDSACASA-N 371.418 2.544 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)CN1CCOc2ccccc2C1 823629782 YMAPXYVXXFIJPN-UHFFFAOYSA-N 368.481 2.532 0 50 FFAA CC(C)Oc1ccccc1CCNC(=O)N1CCC[C@]2(CCC(=O)NC2)C1 584900910 SBPRCINWYBVVDL-OAQYLSRUSA-N 373.497 2.718 0 50 FFAA COc1c(N)ccnc1-c1ccc(C(=O)NCCCn2ccnc2C)cc1 584885536 GGUVIAUIPOEJFM-UHFFFAOYSA-N 365.437 2.664 0 50 FFAA O=C(NCCSc1ccccc1)N1CCC(Oc2ncccn2)CC1 584900592 DGVFVYKWRBCUSP-UHFFFAOYSA-N 358.467 2.822 0 50 FFAA O=C(Nc1ccccc1CN1CCC(O)CC1)c1nncc2ccccc12 935141361 QQSVDBFYJUQCED-UHFFFAOYSA-N 362.433 2.839 0 50 FFAA O=C(CCn1cnc2ccccc21)NCC1(O)C2CC3CC(C2)CC1C3 952963617 JJOUMUONBFOTNV-UHFFFAOYSA-N 353.466 2.730 0 50 FFAA COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCc2cc(F)cc(C)c2C1 407953327 AYOKCMAFKBIUEN-DOTOQJQBSA-N 369.458 2.554 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)[C@H]1CCC[C@@H](C(F)(F)F)C1 408492992 FRYUYLCZHNYZLX-KSSYENDESA-N 353.406 2.990 0 50 FFAA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C(N)=O)c1cccc(Br)c1 275322289 PENYEAZVXKGVTQ-BPLDGKMQSA-N 355.276 2.626 0 50 FFAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1cc(Cl)ccc1Cl 275344045 SFZPXZCZBKUMOH-SNVBAGLBSA-N 360.266 2.731 0 50 FFAA COc1cc(NC(=O)NC[Si](C)(C)c2ccccc2)ccc1NC(C)=O 170609690 LVMZHPGXTMWLLV-UHFFFAOYSA-N 371.513 2.930 0 50 FFAA CCc1nnc(S)n1CCNC(=O)C1(c2ccc(F)cc2)CCCC1 170641487 DOHDLWAGSFZYPS-UHFFFAOYSA-N 362.474 2.897 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(CCc4ccccc4)CC3)C[C@@H]2O)on1 1529192011 MZSXTJDPSDQXNV-KNQAVFIVSA-N 369.509 2.525 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 5050918 LCIDYUGAILZTJK-CQSZACIVSA-N 362.451 2.618 0 50 FFAA CCn1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1 11709874 GPYBJMJUNMUTLU-INIZCTEOSA-N 374.872 2.611 0 50 FFAA CCN1CCC(C(=O)NCc2cccnc2-n2cnc3ccccc32)CC1 12308790 PEGOXAYDDLEUBR-UHFFFAOYSA-N 363.465 2.769 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cc1 12716824 FDNQRWQDMWVLPG-NRFANRHFSA-N 356.441 2.777 0 50 FFAA COCCn1cnnc1CCn1ccnc1-c1ccc2cccc(F)c2n1 1857693063 GPVMLRYDLHPMKB-UHFFFAOYSA-N 366.400 2.718 0 50 FFAA Cc1cnc(CN(C)C(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)[nH]1 1857709119 GJXSSUSUVAOENG-CQSZACIVSA-N 368.441 2.519 0 50 FFAA Cc1ccsc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328617248 CNZRJDVRWKCOMV-OAHLLOKOSA-N 358.467 2.660 0 50 FFAA CO[C@@H](C)c1noc(CN2CCCN(c3nc4cc(C)ccc4o3)CC2)n1 330246793 YJUITDYNFRTLHT-AWEZNQCLSA-N 371.441 2.939 0 50 FFAA C[C@@H](C(=O)N1CCO[C@H](c2ncon2)C1)c1ccc(Br)cc1 332411630 ROPWQPDWVDLGSF-MFKMUULPSA-N 366.215 2.536 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)CCO1 238051333 KOAMHGZBGFOLLU-SFHVURJKSA-N 353.418 2.911 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cnn1C1CCOCC1 371315221 QUUUBKKEPLTDIM-GOSISDBHSA-N 355.438 2.837 0 50 FFAA Cc1cncc(CCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)c1 499289840 GRGDVMFFAWQLBD-GOSISDBHSA-N 357.841 2.676 0 50 FFAA Cc1nc(C2CN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)n[nH]1 1875332381 ZNFLYBQKKHIYMN-UHFFFAOYSA-N 358.405 2.896 0 50 FFAA CN(C)C/C=C/C(=O)N[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875376541 AMUYIJYZKWKZEL-FJVHFBRSSA-N 365.518 2.694 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(C(F)F)[nH]n2)C1 878595440 VKYOQIKSDBLWMW-SNVBAGLBSA-N 358.389 2.724 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 13523511 JSDWWNLTJCCSAV-UIUGJYDHSA-N 372.502 2.993 0 50 FFAA in-vitro Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCC(=O)N(C4CC4)C3)cc2)c1C 2325780332 ZBEQVITURBDOSW-OAHLLOKOSA-N 352.438 2.829 0 50 FFAA CC(C)N(Cc1cc(C2CC2)on1)Cc1nn(C)nc1Br 2325802756 ZQCIGZGHFDNAHX-UHFFFAOYSA-N 354.252 2.854 0 50 FFAA O=C(Cc1ccc(Cl)cn1)NC[C@@H]1CCN(c2ccnc(C3CC3)n2)C1 2325825655 YNIQPYUMBHQBEH-ZDUSSCGKSA-N 371.872 2.588 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCC4(CCOCC4)NC3)cc2)c1C 2325840926 XRYUZTTVHJOEKE-KRWDZBQOSA-N 368.481 2.976 0 50 FFAA Cc1ccc2nc(N(C)C[C@]3(O)CCN(Cc4ccccc4)C3)[nH]c2c1 2325856956 KBXHPNCOSYEHDS-OAQYLSRUSA-N 350.466 2.945 0 50 FFAA CCCCC(=O)NCCN(CCC)C(=O)c1ccc2c(c1)NC(=O)CC2 2325868217 SJPIHKVZCZTFJC-UHFFFAOYSA-N 359.470 2.730 0 50 FFAA O=C(NCC1(NC(=O)c2ccccn2)CCC1)c1ccc2cccnc2c1 2325871439 LQVDUMHIHDPLJH-UHFFFAOYSA-N 360.417 2.712 0 50 FFAA Cc1ccc(C(=O)NCCCN2CCOCC2)c(Sc2ccccc2)n1 131307375 PDWYUSUSAXHNQD-UHFFFAOYSA-N 371.506 2.993 0 50 FFAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@@H]1COc3ccccc3O1)CC2 823992 KIMYOWVJMVXTEI-XCLFUZPHSA-N 369.417 2.990 0 50 FFAA CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 1073038 SOSYAMFSSZLJFY-UHFFFAOYSA-N 352.843 2.590 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2)CC1 4352008 BQAMAKYOLITLHC-UHFFFAOYSA-N 366.417 2.949 0 50 FFAA COc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c(OC)c1 4520223 VZKPMPSYOFIWQQ-UHFFFAOYSA-N 358.394 2.788 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccco2)CC1 4976332 PORMLRRIYXLYEY-UHFFFAOYSA-N 356.378 2.542 0 50 FFAA NC(=O)[C@@H]1CN(C(=O)c2ccoc2C(F)(F)F)C[C@H]1c1ccccc1 412598187 GTFLRKDOIIBWKT-QWHCGFSZSA-N 352.312 2.640 0 50 FFAA O=C1CCC[C@@H](C(=O)NCCc2ccc(Oc3ccccc3)c(F)c2)N1 225520784 CPSUXNPCYWHXBH-KRWDZBQOSA-N 356.397 2.945 0 50 FFAA Cc1ccc2cc(CN(Cc3ccccc3)S(C)(=O)=O)c(=O)[nH]c2c1 9348825 HBMYPSOGSYQAAO-UHFFFAOYSA-N 356.447 2.798 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCCC[C@@H]1CCn1cccn1 102093278 AGVXMMGTDUQNRV-OAHLLOKOSA-N 359.499 2.694 0 50 FFAA CN(C)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 1387426 UKOLLBIWNULABQ-UHFFFAOYSA-N 352.843 2.624 0 50 FFAA O=C(NCCCn1ncc2ccccc21)c1cnc(-c2cccnc2)nc1 65529904 SBJXLUHXAPANFE-UHFFFAOYSA-N 358.405 2.708 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 67847790 MVNFHOMNKGEXGS-CQSZACIVSA-N 372.425 2.553 0 50 FFAA CC(=O)N1CCC(N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)CC1 20514308 VSRDDEYVBZAOKC-GOSISDBHSA-N 370.415 2.960 0 50 FFAA Cc1ccc(OC2(C(=O)N(Cc3nccn3C)C(C)C)CCNCC2)cc1 65380423 YRGVJYXHASBWQT-UHFFFAOYSA-N 370.497 2.667 0 50 FFAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@H]3c1cc(=O)c2ccccc2[nH]1 65422394 CPRUZRVAKGUBOG-AWEZNQCLSA-N 358.401 2.636 0 50 FFAA CCCn1ccnc1CN1CCc2n[nH]c(-c3ccc4c(c3)OCO4)c2C1 67851505 ZTLGCMKHLIDEKM-UHFFFAOYSA-N 365.437 2.970 0 50 FFAA CS[C@H](C)Cc1c(-c2ccccc2)ncn1CCS(=O)(=O)N(C)C 65393502 LFPDXSBMQSJIFG-CQSZACIVSA-N 367.540 2.736 0 50 FFAA COc1ccccc1OC1CCN(CCC(=O)Nc2cccnc2)CC1 65396706 UYBMPYZPAOGKIP-UHFFFAOYSA-N 355.438 2.962 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCO[C@H](c2ccc(F)cc2)C1 72144385 QBYMWDUJQSUJLZ-SFHVURJKSA-N 352.369 2.620 0 50 FFAA CCc1noc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)n1 72426579 WUKOARDTLAPZGY-LLVKDONJSA-N 364.413 2.852 0 50 FFAA CS(=O)(=O)C1(CNC(=O)Nc2cc(-c3ccccc3)ns2)CC1 281571059 YZRBTHLJFDENFZ-UHFFFAOYSA-N 351.453 2.509 0 50 FFAA CC1(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)CC1 77353901 FLWYEOQQYAYNRF-UHFFFAOYSA-N 371.462 2.567 0 50 FFAA O=C1[C@@H](N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CCN1CC(F)(F)F 328656287 ZFUIMXOWFYGVLJ-KGLIPLIRSA-N 356.392 2.589 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)C2CCOCC2)[C@@H]2C3CCN(CC3)[C@H]12 72152913 WRRGMZFQGZBJFZ-HMXCVIKNSA-N 370.493 2.510 0 50 FFAA CC(C)[C@@H](C(=O)N1CCn2nc(CCC(=O)O)cc2C1)c1ccccc1 72479343 IIEKNPSKJVZUSS-LJQANCHMSA-N 355.438 2.682 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCCN(C(=O)c2ccco2)CC1 75035015 AQFGDYYNSHIWIK-UHFFFAOYSA-N 354.406 2.593 0 50 FFAA CCCc1nc(C(=O)N2CC[C@@]3(CCOC3)C2)nn1-c1ccccc1F 153507023 YIOLQJLJLZPLGN-LJQANCHMSA-N 358.417 2.612 0 50 FFAA Cc1cc(C)n([C@H]2CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)C2)n1 72448111 WXJASMSBKACWRF-HNNXBMFYSA-N 364.409 2.502 0 50 FFAA Cc1cc(C)c(C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c(C)c1 261642674 DLBXUWLKAFBEOE-UHFFFAOYSA-N 354.406 2.607 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@H]1c1ccc(C)cc1 77516499 IGWJYADVLJRIIU-UONOGXRCSA-N 368.359 2.501 0 50 FFAA Cc1csc([C@H](C)NC(=O)N2CCCN(C(=O)c3ccco3)CC2)n1 75976688 FRCJYRVACMCRAT-ZDUSSCGKSA-N 362.455 2.663 0 50 FFAA C[C@H](c1ccccc1Cl)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 241124109 JFRLBIMBJSTBKM-RDLJHEDLSA-N 372.852 2.667 0 50 FFAA O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1cc2ccccc2[nH]1 72123821 PCRCOEQODFZBQR-KRWDZBQOSA-N 365.408 2.880 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2nc[nH]n2)cc1 77299390 SJEYPSYSISHZKT-LJQANCHMSA-N 361.449 2.600 0 50 FFAA O=C(O)CCCN1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 82138318 KTSLRZUSKNYDTQ-NRFANRHFSA-N 358.482 2.799 0 50 FFAA Cc1ccc(Cc2nnc(NC(=O)N(C)Cc3ccncn3)s2)cc1 48501670 DPCFIHWOGWEGJJ-UHFFFAOYSA-N 354.439 2.891 0 50 FFAA CCOC(=O)c1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1 20188749 JJHCLCCEAMNDJE-UHFFFAOYSA-N 355.463 2.975 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 426387211 DMHGZZPBVCVQNC-UHFFFAOYSA-N 371.485 2.882 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(N2CCCC2)c(Cl)c1 222380706 RQTFUBOGEZCVFM-JFTQMJAMSA-N 364.873 2.720 0 50 FFAA COc1ccccc1-c1cc(CNC(=O)c2cc(Cl)c[nH]c2=O)on1 220003693 UASNLGFANSXIKW-UHFFFAOYSA-N 359.769 2.622 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)N[C@H]1CC(=O)Nc2ccccc21 426547694 VTYBFCNYEAYSMR-HNNXBMFYSA-N 354.410 2.778 0 50 FFAA COc1nnc(NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)s1 289858925 RMNDUHBPGDACQC-CYBMUJFWSA-N 360.439 2.762 0 50 FFAA COc1ccc(-n2c(CCN)nnc2SCC[C@@H]2CC2(F)F)cc1 426633721 BMMPRNXGTLHBBT-LLVKDONJSA-N 354.426 2.915 0 50 FFAA O=C(CSc1ccccc1)N[C@@H]1CCCCN(C(=O)c2ccncc2)C1 82097719 BWWNQYDBXRSQRD-QGZVFWFLSA-N 369.490 2.985 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 225671931 PXVDFAFAGIMWIF-YIYPIFLZSA-N 360.366 2.542 0 50 FFAA O=C(N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1)c1onc2c1CCCC2 426420414 SAAONICAJIHHAA-HAQNSBGRSA-N 354.410 2.602 0 50 FFAA COc1ccc(C)cc1CS(=O)(=O)CC(=O)N(C)[C@H]1CCCC[C@H]1C 178304562 YNRXYCNWJGAQKE-WBVHZDCISA-N 367.511 2.956 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(O)c(C)c1)CC2 91604317 XRPLTDOOGSXXCZ-UHFFFAOYSA-N 374.481 2.582 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)CN1CCCO 91858174 RGTPYQFQPRVWGG-UHFFFAOYSA-N 352.425 2.552 0 50 FFAA O=C(NCCCN1CCC(O)CC1)N(Cc1ccncc1)C1CCCCC1 426538028 CACZAYWAGCZXHR-UHFFFAOYSA-N 374.529 2.773 0 50 FFAA CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 95374624 XCQPSVJVKTUVJA-QFBILLFUSA-N 359.514 2.959 0 50 FFAA Cc1cc(=O)n(CC(=O)N2CCCC[C@@H]2CCc2cccs2)nc1C 95377374 IUVWCYBUZOVIHQ-MRXNPFEDSA-N 359.495 2.936 0 50 FFAA Cc1ccc(C(=O)N(C)[C@H]2CCNC2)cc1NC(=O)c1ccccc1F 179090738 QWGYSJFYZAYBSU-HNNXBMFYSA-N 355.413 2.820 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@H]1c1cccc(F)c1 97505186 SQEOVSAKSDWIQI-SFHVURJKSA-N 364.380 2.529 0 50 FFAA O=C(CSc1ccncc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 92061642 NEVIFIQQACUOSU-SJLPKXTDSA-N 368.506 2.692 0 50 FFAA Cc1nc(-c2nc(C3(O)CCN(C)CC3)n(Cc3ccccc3)n2)cs1 96137581 AVPGYJOOLOGPDE-UHFFFAOYSA-N 369.494 2.672 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 91736591 DLWZLYJVVDEHQF-FUHWJXTLSA-N 356.466 2.705 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(CCc2ccccc2)C(=O)C1 91562656 DAGMNXYMUZLXDA-UHFFFAOYSA-N 368.481 2.554 0 50 FFAA C[C@@H]1CCCN(C(=O)CCN2CCn3nc(Cc4ccccc4)cc3C2)C1 97532258 NADSWDBRSRPVFC-GOSISDBHSA-N 366.509 2.938 0 50 FFAA Cc1cc(-c2nc(CCC(C)C)nn2CC(=O)O)ccc1N1CCOCC1 97213094 TYQZJSYUEBXWOJ-UHFFFAOYSA-N 372.469 2.763 0 50 FFAA Cc1ccc(NC(=O)CCN2CCN(C(=O)c3ccc[nH]3)CC2)cc1Cl 244659874 HKGRTLBLOKPCTR-UHFFFAOYSA-N 374.872 2.763 0 50 FFAA Cc1cnccc1NCCNC(=O)CCc1nc(-c2ccccc2F)no1 252495452 OQOBBENMXZLURP-UHFFFAOYSA-N 369.400 2.740 0 50 FFAA CCCc1noc(CN(C)C(=O)NC[C@@H](c2sccc2C)N(C)C)n1 534670837 DEDUSOHHJNBRIN-ZDUSSCGKSA-N 365.503 2.836 0 50 FFAA C[C@@H](NC(=O)c1cc(F)ccc1OCCCN)c1nc2ccccc2n1C 299791971 HFESMZAZBMJALO-CYBMUJFWSA-N 370.428 2.931 0 50 FFAA O=C(NCCCc1nc2ccccc2o1)C1(N2CCOCC2)CCCCC1 299761702 ZBVBGGHZMWYQRQ-UHFFFAOYSA-N 371.481 2.912 0 50 FFAA COc1ccc2[nH]c(CNC(=O)[C@H](C)Sc3nc(C)cc(O)n3)cc2c1 824758537 JEZSORPAALSBBW-NSHDSACASA-N 372.450 2.778 0 50 FFAA CC(C)(C)c1ccc(-c2noc(CNC(=O)NCC[C@@H]3CCCN3)n2)cc1 828032365 RBXFOVFSCMJSCX-INIZCTEOSA-N 371.485 2.975 0 50 FFAA Cc1nc(S(=O)(=O)NCC[C@H](c2ccccc2)c2ccco2)cn1C 670461025 VBKFYKNGRMUMGA-MRXNPFEDSA-N 359.451 2.822 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)/C=C/c2cnc(N)nc2)cc1 952977347 MPUHUXIPVCPKGZ-BLRBJFNZSA-N 365.481 2.887 0 50 FFAA c1cnn(-c2ccc(CN3C[C@@H]4CC[C@H]3CN(C3CCOCC3)C4)cc2)c1 1565515603 KNHXFIDSXYVWSZ-UGKGYDQZSA-N 366.509 2.948 0 50 FFAA COC(=O)C1CCC2(CC1)NC(=O)N([C@@H]1CCC[C@H]1c1ccccc1)C2=O 278114749 ZSKMVWOYKPKBKJ-JWRWLIQVSA-N 370.449 2.977 0 50 FFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CCc1nc(-c2ccoc2)no1 739576577 OCHGVVXAISWCOA-HNNXBMFYSA-N 353.382 2.554 0 50 FFAA Cc1nc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)nn1-c1ccccc1 753285187 ZSINHSTUIBSLAT-JOCHJYFZSA-N 374.444 2.890 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCN(CCc2ccccc2)CC1 1506397873 FILXYWKMSIYVDG-OAQYLSRUSA-N 368.477 2.990 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCCO2)cc1Cl 1506400871 PMAZBJHLVBBGOQ-SECBINFHSA-N 354.255 2.802 0 50 FFAA CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704338915 KPHTZNCBCDXAOH-HZSPNIEDSA-N 357.841 2.875 0 50 FFAA Cc1ccc(CNC(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)cc1 1704356538 YOYQFPUXMRVZRB-FQEVSTJZSA-N 351.454 2.557 0 50 FFAA O=C(c1cc(N2CCOCC2)no1)N1CCC2(CCc3ccccc32)CC1 1772806955 MQPMEQWELPCDCU-UHFFFAOYSA-N 367.449 2.631 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@@H]2COCC[C@]2(CO)C1 1772712102 MUYBKUYDRFSBAS-IAQYHMDHSA-N 363.763 2.830 0 50 FFAA C[C@H](NC(=O)C1(N2CCCCC2)Cc2ccccc2C1)c1cnn(C)c1 11841923 HTCBTEMUBRARKE-INIZCTEOSA-N 352.482 2.621 0 50 FFAA CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 12023487 VVWOEYSOQSNFRR-NRFANRHFSA-N 374.431 2.950 0 50 FFAA COCCc1nc2ccc(C(=O)NC[C@@H](C)Oc3cccnc3)cc2o1 12448558 NSXLJGZKNYRNQM-CYBMUJFWSA-N 355.394 2.609 0 50 FFAA COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 13616002 IMTUMMUSHUNNDU-GOSISDBHSA-N 354.406 2.856 0 50 FFAA COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)Nc1ccccc1 14980415 DIYPXQYRRPGATA-KRWDZBQOSA-N 365.433 2.971 0 50 FFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1F 169752382 ZNXVRCKCUZKYGW-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=C(c4cncc(F)c4)CC3)n[nH]c21 1857532778 URDZIIWYSXAFBS-NEPJUHHUSA-N 356.401 2.896 0 50 FFAA Cn1ccnc1CCN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857671760 OWVVKAQADNRBAQ-RTBURBONSA-N 355.482 2.710 0 50 FFAA CSCC(=O)NC[C@H]1[C@H]2CN(Cc3sccc3C)C[C@]23CC[C@H]1O3 1857717343 LEWCSRFPNFYVIR-LUXYFRNMSA-N 366.552 2.515 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cccc(C(=O)O)c1 236583966 ZUDNFGWYRLOZAT-IBGZPJMESA-N 366.417 2.537 0 50 FFAA CN(C)CC1CCC(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)CC1 130350048 OOYBDIYXMOLPGR-UHFFFAOYSA-N 360.498 2.972 0 50 FFAA CC[C@@H](C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)N(C)C 366293986 KKIGUELAIKAGRR-IBGZPJMESA-N 367.497 2.523 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]2C2CC2)n[nH]1 952848915 NRELROMQOSZQTM-KGLIPLIRSA-N 356.474 2.581 0 50 FFAA CNc1cc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)cc(Cl)n1 1875257605 LVQNLHNVFHMCOG-UHFFFAOYSA-N 372.856 2.943 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]c(C)c4C3)C2)c1 1875293070 BGKDEQOCZYSUOI-LSDHHAIUSA-N 369.465 2.856 0 50 FFAA Cc1ncc(CN2CC(NC(=O)N(C)[C@H]3Cc4ccccc4[C@@H]3C)C2)o1 1875323196 BBMUEUHTODFJIS-DJJJIMSYSA-N 354.454 2.537 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)Cc1cccc(Cl)c1F 886066114 UGPCOGVUXORZLH-WMLDXEAASA-N 351.809 2.710 0 50 FFAA CN1CC[C@H](CN(C)C(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)C1 2325720878 SYYJOBTWSOKTTD-INIZCTEOSA-N 363.465 2.891 0 50 FFAA C[C@H](NC(=O)C[C@]1(C)CCCO1)c1cc(F)ccc1N1CCN(C)CC1 2325776229 CHWWNUSAVHZQGR-YWZLYKJASA-N 363.477 2.714 0 50 FFAA CC1=NN(c2ccc(C(=O)N3CCO[C@@]4(COC(C)(C)C4)C3)cc2)CC1 2325782388 VOJRRSUCDFUKFU-HXUWFJFHSA-N 357.454 2.683 0 50 FFAA C[C@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cc(O)n[nH]1 2325865281 VNYQNYXCWJEEHJ-NSHDSACASA-N 350.378 2.603 0 50 FFAA Nc1nc(N2CCC[C@@H]2c2ncc(-c3ccccc3F)[nH]2)[nH]c2ncnc1-2 2325865445 CMOSDAQLUSREEV-CYBMUJFWSA-N 364.388 2.757 0 50 FFAA O=C(NC1(C2CN(C(=O)c3ccc4cccnc4c3)C2)CC1)c1ccoc1 2325871470 MHDYSWRCXRCOEQ-UHFFFAOYSA-N 361.401 2.862 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC=CCC3(CCOCC3)C2)cc1 2325888309 FWIAIUUICXLYNQ-UHFFFAOYSA-N 354.450 2.688 0 50 FFAA Cc1ccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1 895836 DJZWPMWOJCHJCS-LJQANCHMSA-N 374.506 2.647 0 50 FFAA CCCCc1ncc(CN2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)[nH]1 2356134692 YCIHIKPDOLSOHD-QFBILLFUSA-N 351.491 2.826 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1O 2356160196 IAGKVFCWAYBXOI-WMLDXEAASA-N 373.371 2.712 0 50 FFAA CCCCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 2857992 RWLXCJZVGXPTTN-UHFFFAOYSA-N 358.423 2.506 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 4335351 XLOGPZPKEYNYMV-UHFFFAOYSA-N 371.934 2.891 0 50 FFAA COc1ccccc1N1C(=O)C[C@@H](NC23CC4CC(CC(C4)C2)C3)C1=O 4539421 KJCDCLRQZGQAJE-HIHZZFLASA-N 354.450 2.886 0 50 FFAA CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1 6741456 IHQFYSBFEDCARV-UHFFFAOYSA-N 352.456 2.684 0 50 FFAA COC(=O)c1ccc2c(=O)n(Cc3cccc(OC)c3)c(=S)[nH]c2c1 9319328 OTUWCPOSKAPUIP-UHFFFAOYSA-N 356.403 2.903 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1)N1CCN(CC2CCOCC2)CC1 112696913 DQDBHKBAVKMHFB-UHFFFAOYSA-N 356.388 2.890 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)CC1=CSC2=NCCCN12 102446302 OEUNEZMQDVGMAX-UHFFFAOYSA-N 369.450 2.735 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3ncccc3O)n1)CCN(CC1CC1)C2 23580652 IKDUUOKMRNXZCP-UHFFFAOYSA-N 363.421 2.976 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)Nc2ccnn2C2CCCC2)CC1=O 69209808 NAPSREMLXIJDGK-CQSZACIVSA-N 368.437 2.998 0 50 FFAA CCCc1nnc(S)n1CC(=O)Nc1cc(Cl)cc2c1OCC2 135973417 JDVGUDVEFOSQBI-UHFFFAOYSA-N 352.847 2.746 0 50 FFAA Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1-n1cccn1 421790065 CLVDLVCRBPNOGP-UHFFFAOYSA-N 353.344 2.710 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@]12CC[C@@](C)(OC1=O)C2(C)C 63869935 VXDVDIXUGHQQAB-MOPGFXCFSA-N 363.458 2.739 0 50 FFAA COc1ccccc1-n1nc(CC(C)C)nc1[C@H]1CCCN(C(N)=O)C1 65495742 JJYVVYOUFRZVMC-AWEZNQCLSA-N 357.458 2.733 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1)c1ccco1 11879887 WZEGVGBZQTXXBA-INIZCTEOSA-N 356.422 2.693 0 50 FFAA O=C(CN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)N1CCCC1 328604436 JTSWJPVJQQCKKY-DYESRHJHSA-N 366.465 2.713 0 50 FFAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)Cn1c(C)cc(O)cc1=O 252507367 WJJPDVZXZAXEPH-OAHLLOKOSA-N 366.421 2.615 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 72477071 VBSSVNKNDXCYQR-MRXNPFEDSA-N 371.460 2.570 0 50 FFAA FC(F)(F)c1ccnc(NCCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 241701807 QLHOJJKRPADIAJ-IACUBPJLSA-N 356.392 2.845 0 50 FFAA O=C(NCCc1ccc(Cl)nc1)[C@H]1CCCN1C(=O)Cc1ccccc1 151166432 XSAUNODUMBBFAN-QGZVFWFLSA-N 371.868 2.627 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 77523267 IJLCICXHUAQVOJ-KRWDZBQOSA-N 362.426 2.841 0 50 FFAA NCc1ccc(-c2noc([C@@H]3CCCN(C(=O)N4CCCC4)C3)n2)cc1 261949821 FTMDNSYHQBLEJH-MRXNPFEDSA-N 355.442 2.591 0 50 FFAA COc1ccc2cc([C@H]3CN(C(=O)Cn4ccnc4)CCO3)ccc2c1 71748906 MJJNCIKOYQSVCU-LJQANCHMSA-N 351.406 2.645 0 50 FFAA O=C(NCc1ccnc(O[C@H]2CCOC2)c1)Nc1nc(C2CC2)cs1 132521543 XGDIPMLDHLAXKW-ZDUSSCGKSA-N 360.439 2.905 0 50 FFAA COc1ccc(-n2ccnc2CN2CCN(Cc3cccnc3)CC2)cc1 215371755 KWKBZIBHIGNDGG-UHFFFAOYSA-N 363.465 2.594 0 50 FFAA C[C@H](Cn1cccn1)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72418531 FDJHFYCLAKVPRT-HINLZNOGSA-N 356.514 2.632 0 50 FFAA CNc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(OC)c(OC)c2)C1 72165894 GYIMMYRNSZPAQQ-OAHLLOKOSA-N 370.453 2.857 0 50 FFAA C[C@]1(CNC(=O)NCc2cnn3ccccc23)OCCc2sccc21 378089303 DORXUPLESCFEIR-GOSISDBHSA-N 356.451 2.683 0 50 FFAA COCc1ncc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)s1 285697108 SDSSAUIQCKZYEY-MRXNPFEDSA-N 359.495 2.584 0 50 FFAA CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 47343717 FDQZKNNENUEUHH-QGZVFWFLSA-N 372.465 2.945 0 50 FFAA Cc1ccccc1CSCC(=O)NCCc1noc([C@@H]2CCCO2)n1 221439716 XIZMTNPQJSKUBA-HNNXBMFYSA-N 361.467 2.822 0 50 FFAA CC[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)O)c2C(N)=O)C1 17073064 MGXNAIHDNDGLSA-UWVGGRQHSA-N 352.456 2.801 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)N2CCC(Oc3ncccn3)CC2)c1C 426535930 RKLFCLYLPOVAOX-ZDUSSCGKSA-N 372.473 2.624 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 199523780 IWEXMMKZZBEAMH-MRXNPFEDSA-N 364.442 2.810 0 50 FFAA Cc1ccc(C2(C(=O)N3CCC(n4cc([C@H](C)O)nn4)CC3)CC2)cc1 20541647 KSPDKSGICRHZIF-HNNXBMFYSA-N 354.454 2.535 0 50 FFAA O=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1Cc1ccc(F)c(F)c1 91452289 IZHBDLYAXPNKHP-UHFFFAOYSA-N 360.408 2.703 0 50 FFAA Cc1nc(CC2CCN(C(=O)c3cc(-c4ccc(O)cc4)n[nH]3)CC2)no1 91951521 ZXBSJMQHVPZFNX-UHFFFAOYSA-N 367.409 2.569 0 50 FFAA CC(C)[C@@H](NC(=O)Nc1cc(-c2ccccn2)nn1C)c1nccn1C 96139663 KVJIZJAIVSEMLJ-MRXNPFEDSA-N 353.430 2.734 0 50 FFAA Cc1c(C(=O)N2CCc3cc(C(C)(C)C)ccc32)nnn1-c1ccn(C)n1 292872352 YACGYDGUSDEPCI-UHFFFAOYSA-N 364.453 2.810 0 50 FFAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CC=C(c2ccccc2)CC1 97819502 CHGVDIHBOHTEAX-NRFANRHFSA-N 363.461 2.771 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1C 239203298 SCAIPAYRKDAVHM-WDYSCTGBSA-N 364.445 2.685 0 50 FFAA NC(=O)COc1ccc(Cl)cc1CN1CCC[C@](CO)(CC2CC2)C1 91254407 VJYNICIILXBYKM-IBGZPJMESA-N 366.889 2.579 0 50 FFAA COc1ccc(C(C)(C)C)cc1NC(=O)NCCCN1CCC[C@H](O)C1 95504267 HCYQAYYBGSHQAY-INIZCTEOSA-N 363.502 2.961 0 50 FFAA COC(=O)C12[C@H]3[C@H]4CCC[C@H]4[C@H]4[C@@H]3[C@@H]3[C@H]1[C@H]1CCC[C@H]1[C@H]3C42C(=O)OC 247815816 GCDQAWCNVSODCP-OGBSPRASSA-N 356.462 2.903 0 50 FFAA Fc1cccc2[nH]c(CN[C@@H](CN3CCOCC3)c3ccccc3)nc12 182145373 PSLPBOWRTKSXCK-SFHVURJKSA-N 354.429 2.865 0 50 FFAA O=C(CCCC(=O)c1ccccc1)NC1CCN(c2cnccn2)CC1 299770889 RUEMWPJOJDASDD-UHFFFAOYSA-N 352.438 2.615 0 50 FFAA Cc1cc(=O)n(CC(=O)NC[C@H](C(C)C)N2CCCC2)c2ccccc12 299765827 YDHDAFUYGCSEMA-LJQANCHMSA-N 355.482 2.547 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@H](Cn4ccnc4)C3)cc2)[nH]1 299779196 QZXQBNWYBSOVRF-OAHLLOKOSA-N 365.441 2.921 0 50 FFAA Cc1cc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)ccc1F 299764130 TZOXKXPREUFICJ-UHFFFAOYSA-N 356.445 2.763 0 50 FFAA Cc1ccccc1S(=O)(=O)N1CCC(c2nnc3n2CCCCC3)CC1 670439380 FZBICIQVNODYET-UHFFFAOYSA-N 374.510 2.881 0 50 FFAA O=Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 66054185 ZJSMGCHOKHJIFB-UHFFFAOYSA-N 365.208 2.848 0 50 FFAA in-vitro O=C(O)c1cc(O)cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1 952986972 HPSZQBQLGBHVFS-MRXNPFEDSA-N 372.396 2.624 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2N(C)C)cc1 1565507366 HQCFEFPLVGAVGB-RTWAWAEBSA-N 367.493 2.931 0 50 FFAA COc1ccccc1-c1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3C)c(C)o1 75935166 BEPPURFMLBHNTO-CABCVRRESA-N 355.438 2.711 0 50 FFAA CN(Cc1cscn1)C(=O)c1cc(Br)cc2nc(O)[nH]c12 408517959 QLSWOLINCMOJHI-UHFFFAOYSA-N 367.228 2.760 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)o1 275485765 VUOCRAVPPCHJCJ-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA Cc1cc(CN2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)on1 170611282 JDGLWSMPQSKWTH-UHFFFAOYSA-N 352.438 2.741 0 50 FFAA CN(C(=O)c1cn(C(C)(C)C)nn1)[C@H]1CCCN(Cc2ccccc2)C1 188664627 JKZSOIKPYKSQMA-KRWDZBQOSA-N 355.486 2.770 0 50 FFAA C[C@H]1CCN(C(=O)NCCCc2ccc(Br)cc2F)[C@H]1CO 190563151 WLKVATDDZAXVAT-NHYWBVRUSA-N 373.266 2.933 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](O)CO2 1704339699 XKSHZJUXPDGIAE-RDJZCZTQSA-N 368.861 2.547 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c2cc(F)ccc2n1 1800414317 MYKNKFKVNYGIRW-MRXNPFEDSA-N 372.396 2.636 0 50 FFAA O=C(O)c1c(NC[C@H](O)CN2CCCCCC2)noc1-c1ccccc1 1704328707 NOPZSPORCKPYRJ-HNNXBMFYSA-N 359.426 2.689 0 50 FFAA COc1cccc(OCc2nc(C(=O)N[C@H](C)c3cn(C)nc3C)co2)c1 12074976 VVHZAHUIWZODBW-GFCCVEGCSA-N 370.409 2.795 0 50 FFAA O=C(c1cc(COc2cccc3cccnc23)on1)N1CCSCC1 12386732 NKECZKXRFIJVGC-UHFFFAOYSA-N 355.419 2.991 0 50 FFAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 12404255 WAKJPUBZNULRJH-IBGZPJMESA-N 368.433 2.955 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(c3nc(CO)cs3)C1)CC2 1857699882 CCOLVWGOBHIYII-IBGZPJMESA-N 374.510 2.913 0 50 FFAA Cc1cnc(CN2C[C@@H](C(=O)O)C3(CCN(Cc4ccccc4)CC3)C2)[nH]1 1857702783 CMVKLDFOICKLQQ-SFHVURJKSA-N 368.481 2.517 0 50 FFAA Cc1csc(C(=O)N2CC[C@H](Nc3ccc4nccn4n3)C2)c1Cl 329110361 QGYQHJHXBPJWSN-NSHDSACASA-N 361.858 3.079 0 50 FFAA CCn1c(CN2CCC(c3ccn(C)n3)CC2)nc2cc(C(=O)O)ccc21 903630804 GJQSOINBFJHRCX-UHFFFAOYSA-N 367.453 2.868 0 50 FFAA CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@@H]3CCS3)cc2)c1C 1875270090 FGWGSYJTVKZTAV-HNNXBMFYSA-N 359.451 2.593 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOc3ccccc3[C@H]2C(F)F)C1 1875382293 XGNTWBROELCKPU-GUYCJALGSA-N 364.392 2.638 0 50 FFAA N[C@H]1CCc2nc(C(=O)N3CC4(CCCC4)c4cccc(F)c43)cn2C1 1875315446 VLLIJVUJXXQUMP-ZDUSSCGKSA-N 354.429 2.768 0 50 FFAA Cc1[nH]nc(C(=O)N2C[C@H](NC(=O)CC3CC4(CC4)C3)C(C)(C)C2)c1C 1875407584 DJGQFCUTFRFDNM-HNNXBMFYSA-N 358.486 2.574 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2CNCCn2c(C)nc3ccccc32)cn1 886079299 QKMQSVJOLVMDGK-UZLBHIALSA-N 353.470 2.929 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnn(Cc3ccc(F)cc3)c2)C1 888077766 UBQHQBVIBIAJNQ-QZTJIDSGSA-N 355.417 2.756 0 50 FFAA O=C(N1[C@H]2C=CC[C@H]1CC2)[C@]1(O)CCc2cc(Br)ccc2C1 888100159 ADLJZMBCGKDDRH-BQFCYCMXSA-N 362.267 2.988 0 50 FFAA COc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1 1061069 CSTMTHAQSLKPBW-LJQANCHMSA-N 351.406 2.862 0 50 FFAA S=C(NCCN1CCOCC1)Nc1ccccc1Cc1ccccc1 19856892 CHXMTYGAAZTXDR-UHFFFAOYSA-N 355.507 2.896 0 50 FFAA Cc1cc(C)c2c(c1)[C@@H](NC(=O)[C@@H](O)c1cccc3c1OCC3)CCO2 2325826639 HXVFMQXPORVJNE-ROUUACIJSA-N 353.418 2.912 0 50 FFAA CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(-c2ccncc2)nc1O 2325860102 XPXFSMVZQMDPDB-IBGZPJMESA-N 360.417 2.766 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC)c(Cl)c1 636902 XSKBFANBZONHIO-UHFFFAOYSA-N 365.813 2.929 0 50 FFAA CCc1nc(C)cn1S(=O)(=O)c1ccc(Br)c(OC)c1 644675 WEXAPVLFPJQBGO-UHFFFAOYSA-N 359.245 2.762 0 50 FFAA CC1CCN(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)CC1 888955 NYZPZEOCCQYBNR-UHFFFAOYSA-N 360.479 2.864 0 50 FFAA CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 1057942 CHFZTHMMUQYCJV-UHFFFAOYSA-N 355.423 2.768 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1[nH]c2ccccc2c1Cl 2356167360 XNTQWLAMVNKXPS-LJQANCHMSA-N 361.873 2.771 0 50 FFAA COc1ccc(-c2noc(CNC(=O)C(Cl)(Cl)Cl)n2)cc1 4858673 AFCWWJJCAAZOQV-UHFFFAOYSA-N 350.589 2.732 0 50 FFAA CCn1c(C2CCN(C(=O)c3ccc4sc(C)nc4c3)CC2)n[nH]c1=O 65435303 HKYLDRSFOXXHDZ-UHFFFAOYSA-N 371.466 2.529 0 50 FFAA CCn1ncnc1[C@@H]1CC(=O)Nc2cc(OC)c(NC(=O)CC(C)C)cc21 65422413 GCUBEWVEDHFPPG-CYBMUJFWSA-N 371.441 2.765 0 50 FFAA O=C(Nc1ccsc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 118628459 ZMDQIOLFAJGGQW-OAHLLOKOSA-N 350.465 2.930 0 50 FFAA O[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[C@H]1N1CCCCCC1 67773519 YGQOVBLAKFBZET-FGZHOGPDSA-N 357.542 2.967 0 50 FFAA CC(C)CC1(NC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)CC1 71748511 HECWIPDOVWOJTG-INIZCTEOSA-N 373.497 2.671 0 50 FFAA CC(C)CCn1cccc1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 328635779 VCRKGSBAPMXVTK-OXJNMPFZSA-N 357.502 2.577 0 50 FFAA O=C(CN1CCC(O)CC1)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 11816852 GDOWTHCIAFSLQB-UHFFFAOYSA-N 369.509 2.900 0 50 FFAA O=S(=O)(NCC1CC1)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1 171807903 PEHDOZRAPDVZND-LBPRGKRZSA-N 363.405 2.549 0 50 FFAA O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2ncoc2C2CC2)CC1 328926350 WKUGPZVTFMWUNG-UHFFFAOYSA-N 371.412 2.608 0 50 FFAA Cc1oc2nc(CN3CCC(OC[C@H]4CCCCO4)CC3)nc(N)c2c1C 154163566 FKBKIGUPYQFTAT-MRXNPFEDSA-N 374.485 2.972 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)s1 237998745 WEXTVJFMNUVCRW-LBPRGKRZSA-N 353.346 2.938 0 50 FFAA CCN(C1CCN(Cc2cc(C)nc3ccccc23)CC1)S(C)(=O)=O 124759239 SAUKBQUDOYINAP-UHFFFAOYSA-N 361.511 2.789 0 50 FFAA CN(C(=O)CCC(F)(F)F)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 331263296 FJJXIXYKWOPANY-JTQLQIEISA-N 355.765 2.969 0 50 FFAA CCOCC(=O)N1CCC2(CC1)CN(C[C@@H](C)c1ccccc1)C(=O)O2 77389260 SNLLQFMPUUADJE-MRXNPFEDSA-N 360.454 2.640 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 72151021 RECOWIYKSGPVRO-MRXNPFEDSA-N 373.497 2.771 0 50 FFAA CSCC[C@@H](O)C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215596650 KHINJENEUULDBY-OAHLLOKOSA-N 365.886 2.729 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 131007820 GFUPAFMFFKZMEX-FUHWJXTLSA-N 364.449 2.583 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H]1CCO[C@H]1c1nccn1C 285265996 SHGSTRYRUBYRBY-ATZDWAIDSA-N 369.465 2.743 0 50 FFAA CCCn1cnc2cc(NC(=O)NCCSc3n[nH]c(C)n3)ccc21 426399230 NPTXVFAQNMLKMH-UHFFFAOYSA-N 359.459 2.787 0 50 FFAA CC(C)c1csc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)n1 223788218 NIXOYIVSGVTWHB-GDBMZVCRSA-N 361.467 2.766 0 50 FFAA Cc1cccc(OCCN2CCC[C@H](c3ccnn3CC(=O)O)C2)c1C 426746384 ZTDIGVMGGKTLRD-KRWDZBQOSA-N 357.454 2.843 0 50 FFAA O=C(COCC(F)(F)C(F)F)NC1CCN(c2ccccc2F)CC1 222298309 LDSZAIFRKNQLRX-UHFFFAOYSA-N 366.330 2.828 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NCc3cc(C(C)(C)C)n[nH]3)c2c1 220261047 UFMLEOSVZBAFNI-UHFFFAOYSA-N 356.426 2.630 0 50 FFAA COCCn1cncc1CNC(=O)c1ccc(-c2ccc(C)cn2)cc1 426519307 SAFNBIRYWWTUSW-UHFFFAOYSA-N 350.422 2.830 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2ccnn2C(F)F)CC1 82156709 KJTVYKWJIFDWPP-UHFFFAOYSA-N 351.353 2.970 0 50 FFAA COc1ccc(C(=O)NCC(F)F)cc1OC1CCN(C(C)C)CC1 95505150 IBZONWNRZKQULD-UHFFFAOYSA-N 356.413 2.942 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)CC1 95362454 RJWXOIQYCWAJHO-KRWDZBQOSA-N 373.497 2.544 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)s1 91289587 IJQKFIWWCDLLGY-GOEBONIOSA-N 370.478 2.532 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1O 91468549 GLAIMZRAJPTZKQ-UHFFFAOYSA-N 356.466 2.955 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)CC1 95508114 BVGONGPZVUAZCX-QGZVFWFLSA-N 350.434 2.968 0 50 FFAA CCN1C[C@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)CCC1=O 92003753 JWAYWMLYEKAXHX-MRXNPFEDSA-N 368.481 2.538 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CN3C)n1 95505943 INGRGAXTCLBPDF-FQEVSTJZSA-N 366.509 2.980 0 50 FFAA O=C(O)[C@@H](CO)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2 92066397 SNFIXGUDPMUQIL-OAHLLOKOSA-N 366.373 2.606 0 50 FFAA CCC[C@@H]1CN(CCC(=O)NCc2ccc(Cl)cc2)C[C@H]1NC(C)=O 95511698 CCHGQMAMHNDGBW-SJLPKXTDSA-N 365.905 2.583 0 50 FFAA Cc1cc(C)cc(N2CCN(c3ccc(Cl)c(C(=O)O)n3)CC2=O)c1 95515412 YCVPAIGITKQVLN-UHFFFAOYSA-N 359.813 2.903 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2n1cc(Cn2c(=O)oc3ccccc32)nn1 91746232 VHABTWOQGJLTHN-AWEZNQCLSA-N 367.434 2.925 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)no1 95530274 PVSCKOTZQQXQGP-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CC[C@H](N)C[C@@H]1C 237513455 RHMWNDXDNJBSNM-BDFYUECYSA-N 356.445 2.980 0 50 FFAA CC(C)N1CCC(CC(=O)NCc2csc(N3CCCC3)n2)CC1 95501122 QTOLYKUIIDVXJF-UHFFFAOYSA-N 350.532 2.870 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ncc(C(C)C)s1 181360676 HYOUSCFWASFBDM-KRWDZBQOSA-N 358.467 2.603 0 50 FFAA CNc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)ccn1 244795384 RFLIJQJUXGPHEA-VPWXQRGCSA-N 362.433 2.914 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)cs1 181675031 KPFRRVUVIZRANU-SNVBAGLBSA-N 362.245 2.607 0 50 FFAA CCn1cc(-c2cc(C(F)(F)F)nc(N3CCN4CCC[C@H]4C3)n2)cn1 252430667 CUWPHDATILZTED-ZDUSSCGKSA-N 366.391 2.663 0 50 FFAA CCn1c(CN2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)nc2cc(F)ccc21 299745794 SLHAAEFNQLWGRH-GHMZBOCLSA-N 359.323 2.890 0 50 FFAA O=C(NC1CCCC1)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 263616965 LKMKKGPFNHUNMU-OAHLLOKOSA-N 367.497 2.883 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CC[C@](C(=O)O)(c2ccccc2)C1 299775841 LDHMQPBEFBSJPO-OAQYLSRUSA-N 368.433 2.744 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCCN1C(=O)C1CC1 299777711 OLILGTGCZSAZMV-IBGZPJMESA-N 373.472 2.702 0 50 FFAA Cc1ccc(CC2(NC(=O)NC[C@H](O)CN3CCCCCC3)CC2)cc1 584894419 SJLRYWZNACKBAS-IBGZPJMESA-N 359.514 2.606 0 50 FFAA Cc1ncsc1CCN(C)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 952965512 AHBCUDPXSNBWDR-CXAGYDPISA-N 370.540 2.651 0 50 FFAA NC[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 170048158 VQRNOPSNMNMVTC-JTQLQIEISA-N 354.332 2.566 0 50 FFAA CN(C)c1ncc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn1 271146435 CTEQFABEOMVRMV-UHFFFAOYSA-N 363.469 2.707 0 50 FFAA COc1cccc(Cl)c1CC(=O)Oc1ccc(O[C@H](C)C(N)=O)cc1 170596146 CRHFUPGUYPDJAV-LLVKDONJSA-N 363.797 2.749 0 50 FFAA CC(C)(C)c1nc(CC(=O)NCc2cccnc2-n2ccnc2)cs1 171188637 SCIZCSUUOUYBGS-UHFFFAOYSA-N 355.467 2.880 0 50 FFAA O=C(NCc1ccn2ccnc2c1)N1CCO[C@@H](CCc2ccccc2)C1 186488061 FGJGPGSMTMQQTH-IBGZPJMESA-N 364.449 2.878 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616070050 XRFXAYJAMLEMHP-PMACEKPBSA-N 364.445 2.519 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cn3ncc4ccccc43)C1)CC2 1704339815 OIDUXHIMNAFJNP-OAQYLSRUSA-N 361.449 2.641 0 50 FFAA O=S(=O)(c1ccccc1Br)n1cc(Br)cn1 16124254 SWTMIZJXKCERLX-UHFFFAOYSA-N 366.034 2.645 0 50 FFAA in-vitro Cn1cc(Cl)c(C(=O)N2CCCN([C@@H]3CCc4ccccc4C3)CC2)n1 1775980814 BPAURUZZMVYRFJ-QGZVFWFLSA-N 372.900 2.779 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1C 1772711361 SWDREYYERSBHJR-UHFFFAOYSA-N 373.478 2.884 0 50 FFAA Cc1c(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)[nH]c2c1C(=O)CCC2 1775979767 MLYQEUIEMGNARA-FQEVSTJZSA-N 352.438 2.685 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1 11815505 PLBDOIBHCCXOCL-UHFFFAOYSA-N 360.458 2.790 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1 11817259 JVUMYOXLXFUNLZ-NRFANRHFSA-N 374.456 2.976 0 50 FFAA O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)NCc1ccc(Cl)cc1 11905566 NBYGUOMBMTVXHF-UHFFFAOYSA-N 363.870 2.711 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1OC 13680877 OHHREJNKPVVMCN-UHFFFAOYSA-N 372.805 2.648 0 50 FFAA CC[C@H](COC)Nc1ncnc2sc(C(=O)NCCCOC)c(C)c12 14885706 STECTYYXWKNFSS-GFCCVEGCSA-N 366.487 2.603 0 50 FFAA Cn1c(=O)c(-c2nccn2C[C@H](O)c2ccc(O)cc2)cc2ccccc21 1857691348 HMBKCOBVDGYSHH-IBGZPJMESA-N 361.401 2.841 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@]23CC[C@H]1O3 1857707568 DENMNHVLTZPELM-BVIKNXMNSA-N 368.399 2.887 0 50 FFAA O=S(=O)(c1cccnc1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210230746 OBIMHJBJPCERJK-UXHICEINSA-N 368.458 2.774 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)NCC2(N3CCCCC3)CCOCC2)cc1 109981372 NTECBSJIMZDSOV-GOSISDBHSA-N 360.498 2.914 0 50 FFAA CCN1CCC(CC(=O)N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)CC1 248163040 YPKAWZWUYJELLY-RTWAWAEBSA-N 357.542 2.788 0 50 FFAA CN[C@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 133945133 VWRCOVUSHKSIKZ-ZDUSSCGKSA-N 355.276 2.819 0 50 FFAA CCCc1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc(O)n1 923789662 BWANDZFSHLILBV-UHFFFAOYSA-N 367.409 2.688 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc[nH]2)(c2ccccc2)CC1 847621718 QLKYHNGVFPKXNC-INIZCTEOSA-N 351.450 2.938 0 50 FFAA O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](CN2CCOC2=O)C1 861849643 LHHAFZHDMJAWDE-LLVKDONJSA-N 357.237 2.837 0 50 FFAA CC(C)CN1C[C@@H](c2noc(-c3cccc4oc(O)nc34)n2)CCC1=O 1875268240 SOOVCZVBJSERMG-NSHDSACASA-N 356.382 2.945 0 50 FFAA O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[C@@H]2CCC[C@@H]21)c1ccccc1 1875293599 WIELYGSOPOLZFQ-SXLOBPIMSA-N 363.461 2.824 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875376710 GHAOWNRYODKGLZ-YRYLYKBFSA-N 373.497 2.755 0 50 FFAA COCc1c(C)cc(C)c(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1C 1875400320 WUPHNAWLXGEGAC-IOMROCGXSA-N 357.498 2.884 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)nn(C)c21 1875402764 KKUGMQVBPJPIMO-NEPJUHHUSA-N 365.437 2.558 0 50 FFAA Cn1nc(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)c2c1CCCC2 886074545 MLJUJWIIOSBBCQ-INIZCTEOSA-N 358.873 2.739 0 50 FFAA O=C(NCc1cc(C2CCNCC2)no1)c1cnc(-c2cccnc2)s1 2325795306 XVBPFGQWTXODRC-UHFFFAOYSA-N 369.450 2.590 0 50 FFAA O=C([C@H]1CCn2nncc2C1)N1CCC[C@H](c2ccc3c(c2)CCC3)C1 2325810888 MGZHWRVZGWKILQ-OALUTQOASA-N 350.466 2.735 0 50 FFAA COc1cccc(Cl)c1[C@H](O)CNC(=O)c1n[nH]c2c(C)cccc12 2325878370 MXTABTAYCMJAOR-CYBMUJFWSA-N 359.813 2.997 0 50 FFAA Cc1[nH]nc2cc(C(=O)N3CCC[C@]3(C)CNC(=O)C3(C)CC3)ccc12 2325879587 ACOOFLZAKSUTIQ-HXUWFJFHSA-N 354.454 2.782 0 50 FFAA Cc1[nH]nc2cc(C(=O)N(C)C[C@H]3CCCN3C(=O)C(C)(C)C)ccc12 2325880134 VZKHFGVGNBHQKY-OAHLLOKOSA-N 356.470 2.980 0 50 FFAA CN(Cc1ccccc1)C[C@H](O)CNCc1cnc(O)c2ccccc12 905531452 GTEFDECJGVNKRT-GOSISDBHSA-N 351.450 2.523 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCCCCC2)cc1 818782 DFMFZAHLWBMKGY-KRWDZBQOSA-N 350.484 2.551 0 50 FFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC(C)C 1075553 FBYNZIIYYAEQNT-UHFFFAOYSA-N 368.499 2.509 0 50 FFAA CC[C@H](C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12)n1cccn1 2356162283 GBPLGONJQOSIMF-QGZVFWFLSA-N 369.465 2.933 0 50 FFAA COC(=O)c1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1 6703973 DLIGWVIIXWONOT-UHFFFAOYSA-N 356.769 2.960 0 50 FFAA COC(=O)c1ccccc1NC(=O)N1CCN(CCc2ccccc2)CC1 6726972 AAWPWWRIRFYVNP-UHFFFAOYSA-N 367.449 2.865 0 50 FFAA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(F)(F)F)CC1 7387784 UAXBJONEKCESFT-UHFFFAOYSA-N 363.767 2.899 0 50 FFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 55108446 LWUVENDGVVQZTM-IBGZPJMESA-N 358.482 2.844 0 50 FFAA CCCCn1c(CN2CCC(n3cc(CO)nn3)CC2)nc2ccccc21 55385018 AEVYYNJSHVCJDD-UHFFFAOYSA-N 368.485 2.757 0 50 FFAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)Cn1nc2ccccc2n1 55401984 MDEWMYCNKHQLDT-UHFFFAOYSA-N 364.384 2.762 0 50 FFAA COc1ccc(CCc2nc(NC(=O)Cc3ccccc3OC)n[nH]2)cc1 170625728 NPCDZYUYVYIYHX-UHFFFAOYSA-N 366.421 2.788 0 50 FFAA COCCN1C[C@H](n2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)CC1=O 67973722 IEBFUJOSXITPOT-MRXNPFEDSA-N 365.437 2.668 0 50 FFAA Cc1ccccc1CN1CCN(Cc2c(C)nn(C)c2Cl)CCC1=O 20212142 AIYSFHLPXQZMRW-UHFFFAOYSA-N 360.889 2.925 0 50 FFAA O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C2CCOCC2)CC1 20600231 HNGRBALTFHHHFC-UHFFFAOYSA-N 354.454 2.906 0 50 FFAA Cc1nnc(S)n1CCNC(=O)c1ccc(OC2CCC2)cc1Cl 135617040 PXXNRJJSZHJVGW-UHFFFAOYSA-N 366.874 2.890 0 50 FFAA C[C@@H](C(=O)N1CCCC1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67774546 NPOFAOREMJPKCV-LBPRGKRZSA-N 360.408 2.724 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCC[C@H](c2ccn[nH]2)C1 67896047 ZYRZXOQDGUTKHA-LBPRGKRZSA-N 356.817 2.664 0 50 FFAA C[C@H](N1CCN(C(=O)c2c(O)cnc3ccccc23)CC1)C(F)(F)F 136991998 AUCCQLWOGQMUHI-NSHDSACASA-N 353.344 2.649 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 65364331 ZLJXVRSWDZYCFW-RDJZCZTQSA-N 352.500 2.542 0 50 FFAA COCCN(C)c1ccc(CNCC2CCN(c3ccncc3)CC2)cn1 252506282 VYIIGRUHFXRHKX-UHFFFAOYSA-N 369.513 2.565 0 50 FFAA CO[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 6417430 YPMRNXCFHLOPNW-GOSISDBHSA-N 351.406 2.811 0 50 FFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)CC[C@@H]1CCCOC1 328638938 PGENWUIWMXHJPL-JKSUJKDBSA-N 351.516 2.596 0 50 FFAA COc1ccc([C@H](C)CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 328645317 ZOINOPCUGIRVBH-DAESXHAQSA-N 370.497 2.650 0 50 FFAA O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc2sccc2c1 329928279 XVRLTRFVQHPUEU-UHFFFAOYSA-N 364.492 2.588 0 50 FFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cnc3n[nH]c(C)c3c2)n1 364253649 WWFQGFSVDLYQCP-HNNXBMFYSA-N 350.426 2.686 0 50 FFAA CC(=O)CCc1ccc(OCC(=O)N2CC[C@@H](CN3CCCCC3)C2)cc1 174570029 NDVPUCGJTMPAKM-FQEVSTJZSA-N 372.509 2.921 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)cc1 71416358 KTMVHCAPONIGOI-IBGZPJMESA-N 371.481 2.754 0 50 FFAA O=C(O)[C@H]1CC2(CCN(CCCc3ccccc3)CC2)CN1C(=O)C1CC1 72459134 UYBKQLRNPPUVLL-LJQANCHMSA-N 370.493 2.797 0 50 FFAA C[C@H](C(=O)NC1(C)CCOCC1)n1c(S)nnc1-c1cccs1 130869141 XFMJHHPIEOBJPY-SNVBAGLBSA-N 352.485 2.542 0 50 FFAA O=C(O)[C@@H]1c2[nH]cnc2CCN1Cc1nc(-c2ccc(F)cc2)cs1 72426280 FXOAFIRWMVUKEI-INIZCTEOSA-N 358.398 2.856 0 50 FFAA O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](Cn2ccnn2)C1 127550581 YBUQNIUNZGISRR-GXTWGEPZSA-N 359.396 2.821 0 50 FFAA COc1cc(/C=C/C(=O)N2CCC[C@H]([C@H](C)N)C2)cc(Cl)c1OC 237165374 DTBYYFVPZZQLJT-UTTOWCGFSA-N 352.862 2.956 0 50 FFAA NS(=O)(=O)c1ccc(-n2ccnc2-c2cccc3cccnc23)cc1 71755210 ZYFZCSSZPJYLLK-UHFFFAOYSA-N 350.403 2.735 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCCCNc3cccnc3)nc2c1 219309656 JCFPSPICTOXEFG-UHFFFAOYSA-N 355.467 2.977 0 50 FFAA Cc1c(CN2CCC(C(=O)O)(n3ccnc3)CC2)[nH]c2ccc(F)cc12 72479419 IYEGVMMGXREEMW-UHFFFAOYSA-N 356.401 2.888 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCN(CCN(C)C)CC3)c2)c(C)n1 426517794 GLPZQRDWVABDPA-UHFFFAOYSA-N 366.509 2.685 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)c2scc3c2OCCO3)cc1 220200071 RVWMLIWPYNYXQV-UHFFFAOYSA-N 371.418 2.848 0 50 FFAA CSc1nnc(CC2CCN(C(=O)c3ccccc3C(C)=O)CC2)n1C 82097498 JDNJEQXIHPVDHV-UHFFFAOYSA-N 372.494 2.835 0 50 FFAA COc1ccc(-n2ccnc2-c2nccn2-c2ccc(C(N)=O)cc2)cc1 82109673 BRIABAFYVONBRI-UHFFFAOYSA-N 359.389 2.833 0 50 FFAA CC(C)[C@@H](O)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 85533879 ODXYIVZGPDSPMY-HXUWFJFHSA-N 352.434 2.546 0 50 FFAA CCCn1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c1C 91518884 KKZDUMRJNQMOGM-DLBZAZTESA-N 371.437 2.630 0 50 FFAA C[C@@H](Cc1cnccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 96163426 MVDGVWUBEASRIG-HNNXBMFYSA-N 369.469 2.702 0 50 FFAA OCCOCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95375224 JOYQQZZIGIKBJB-FQEVSTJZSA-N 358.526 2.729 0 50 FFAA CC[C@@H](NC(=O)c1cn2cc(C)ccc2n1)c1ccc(S(C)(=O)=O)cc1 91793236 NEROMRQIOFTWLN-MRXNPFEDSA-N 371.462 2.927 0 50 FFAA C[C@H](O)CN1CC2(CCC1=O)CCN(CCCOc1ccccc1)CC2 91952387 MCTNOXBNHPESEB-SFHVURJKSA-N 360.498 2.541 0 50 FFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(Cc3sc(C)nc3C)C[C@H]21 95371973 HFROKTNREULFTA-DNVCBOLYSA-N 374.462 2.831 0 50 FFAA CO[C@@](C)(C(=O)Nc1ccc(I)c(C)n1)C1CC1 293480049 XOHRZIQVXBLUBL-CYBMUJFWSA-N 360.195 2.748 0 50 FFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCN(c2nccs2)CC1 91645138 IYNVMNOBSXTVHU-UHFFFAOYSA-N 357.414 2.635 0 50 FFAA CCCn1nc(C)c(CNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)c1C 91663914 PPISWUJOJDZKFV-UHFFFAOYSA-N 353.426 2.936 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95521767 CMACOLNJKMMEMC-OAHLLOKOSA-N 365.412 2.880 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 95382192 VZUNPQIEMAEZSQ-BHIYHBOVSA-N 372.419 2.699 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Nc1ccccc1N1CCOC1=O 95509568 NSSDXSYLDZDPMD-UHFFFAOYSA-N 369.425 2.909 0 50 FFAA O=C(CN1CCC2(CC1)c1ccccc1C[C@@H]2O)Nc1ccc(Cl)cn1 240203859 JUIBJZDSXXQAOO-KRWDZBQOSA-N 371.868 2.624 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(N2Cc3ccccc3C2)c1 244866699 WAYVOFVWQWOTNX-WOJBJXKFSA-N 352.434 2.741 0 50 FFAA O=C(CC1CCCCC1)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244673641 HTBODLLEVDCYBA-WOVMCDHWSA-N 373.501 2.741 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc(N3CCN(C)CC3)nc1)CO2 184922491 PQPCIZDJAZXQFG-GOSISDBHSA-N 366.465 2.565 0 50 FFAA Cc1c(NC(=O)CN2CCC(c3nc4cc(F)ccc4[nH]3)CC2)cnn1C 252503750 VGNVZMMHGLHHKP-UHFFFAOYSA-N 370.432 2.562 0 50 FFAA COc1cncc([C@@H](NC(=O)Cc2cc(F)ccc2F)[C@H]2C[C@H](O)C2)c1 253378364 CJDWFPJAUFVLGC-ODYMNIRHSA-N 362.376 2.539 0 50 FFAA COCC1(NC(=O)N2CCN(c3ccccc3OC)C[C@@H]2C)CCCC1 534591664 NXTMRPLESRTYQK-INIZCTEOSA-N 361.486 2.875 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc(CSC)o3)cc2C1 299799767 RYVKYJACAAIUNA-UHFFFAOYSA-N 362.499 2.885 0 50 FFAA O=C(Nc1ccc2[nH]nnc2c1)N1CCC[C@H](OCc2ccccn2)C1 299784377 XCEAEIUXEQKEKF-HNNXBMFYSA-N 352.398 2.566 0 50 FFAA Cc1cc(-c2cccc(C(=O)N[C@H](C)CCn3cccn3)c2)c(O)nn1 584900904 OOCTWFYMWQJXCJ-CYBMUJFWSA-N 351.410 2.563 0 50 FFAA Cc1ccc(NC(=O)CCNS(=O)(=O)Cc2ccc(F)cc2)c(C)c1 670457026 FIYFEOPTNQDKPW-UHFFFAOYSA-N 364.442 2.891 0 50 FFAA C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2nc3c(s2)COCC3)C1 408402204 HBVULYYEIRYYRV-PIGZYNQJSA-N 353.488 2.915 0 50 FFAA Cc1ccc(CC(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 275415449 SPILLBNWRBWTCC-KRWDZBQOSA-N 358.442 2.723 0 50 FFAA CS[C@@H](C)CNC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275537005 GLZLKHNDTKYYJU-GJZGRUSLSA-N 364.515 2.596 0 50 FFAA Cc1nnc([C@H]2COCCN2C(=O)Cc2cccc(Cl)c2Cl)o1 279768181 PZKULWPNMFDADY-GFCCVEGCSA-N 356.209 2.827 0 50 FFAA C[C@]1(C(=O)Nc2nc3cnccc3[nH]2)CCCN(C(=O)c2ccccc2)C1 760714371 JQZHQYOSWMKGOC-FQEVSTJZSA-N 363.421 2.839 0 50 FFAA CSCC(=O)N1CCCN(C(=O)CCCc2ccc(F)cc2)CC1 1772704424 IRJDCJDAKVPEQM-UHFFFAOYSA-N 352.475 2.572 0 50 FFAA Cc1nc(CCNc2nnc([C@H](N)Cc3ccccc3)o2)nc2c1CCC2 1772710973 UKNWBPXEVLUYEA-MRXNPFEDSA-N 364.453 2.554 0 50 FFAA O=S(=O)(NC[C@@H]1CCCN(C2CCC2)C1)c1cccc2cccnc12 11761848 YEBOVXBQHZOLBL-HNNXBMFYSA-N 359.495 2.778 0 50 FFAA S=C(Nc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19770307 MKNKIEVDDRZTOD-UHFFFAOYSA-N 355.463 2.930 0 50 FFAA Cc1ncccc1CC(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532874 QBPHZOLETHYYJG-OXJNMPFZSA-N 352.438 2.773 0 50 FFAA O=C(COc1cccc(F)c1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857739158 DSYCOQDOWQMIOM-CMKODMSKSA-N 370.424 2.535 0 50 FFAA Cc1nn(CC(=O)N2[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)c(C)c1Cl 408114954 GVFXOHCRIXZMNF-TXEJJXNPSA-N 368.909 2.647 0 50 FFAA CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCN(C)C)c2c1 1912405 VEUXHOPWCCVNPH-UHFFFAOYSA-N 373.453 2.952 0 50 FFAA Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2 14732879 MYQAOMADCRINIZ-UHFFFAOYSA-N 360.461 2.908 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4ncsc4c3)C1)CC2 1704297471 AERPMBMABGVVJP-LJQANCHMSA-N 365.462 2.789 0 50 FFAA c1ccc(-c2ncc3c(n2)[C@@]2(CCCN(CCn4cnnc4)C2)CC3)cc1 1704315275 ZGYAZUDKRGIMCO-NRFANRHFSA-N 360.465 2.715 0 50 FFAA CCOC1CC(N(C)C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)C1 876200599 FAQFBOXZVFZZAC-UHFFFAOYSA-N 374.407 2.947 0 50 FFAA O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[C@@H]2CCC[C@H]21)c1ccccc1 1875293596 WIELYGSOPOLZFQ-DFQSSKMNSA-N 363.461 2.824 0 50 FFAA C[C@@H]1CN(C(=O)[C@H](Cc2ccsc2)NC=O)CC[C@@H](c2ccccc2)O1 1875321725 SOMJXFFQMAWQNN-MNEFBYGVSA-N 372.490 2.784 0 50 FFAA O=C(Nc1ccc(-n2cnnc2)cc1)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 886088669 HVFLMKXKIMFFFQ-MQYQWHSLSA-N 352.316 2.562 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c(-c2cnn(C)c2)c1 2325785728 LCJKCGQGDNNZHU-MAODMQOUSA-N 365.481 2.521 0 50 FFAA O=C(N[C@]1(c2ccccc2)CCNC1)c1ccn(-c2ccc(F)cc2F)n1 2325856767 BCZMGUAASOIGPV-HXUWFJFHSA-N 368.387 2.769 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 178899 NNVAEGDGLIJWFI-CVEARBPZSA-N 350.846 2.880 0 50 FFAA CC(=O)Oc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 635251 CQMQMEXENAOTPQ-SFHVURJKSA-N 367.405 2.990 0 50 FFAA COc1ccc(C(=O)n2nc(-c3ccc(Cl)cc3)nc2N)cc1OC 800883 HGMMYFQNXSPVTA-UHFFFAOYSA-N 358.785 2.886 0 50 FFAA Cc1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 951475 CXCHURGDCRRVFS-UHFFFAOYSA-N 351.387 2.839 0 50 FFAA COc1ccc(NC(=O)c2ccccc2NC(=O)CCC(=O)O)c(OC)c1 991838 YNEDSNIFSBLGNN-UHFFFAOYSA-N 372.377 2.759 0 50 FFAA O=S1(=O)C[C@H]2[C@H](C1)N(c1ccc(F)cc1)C(=S)N2c1ccccc1 1127671 KPSMOCQPWHFTJP-HOTGVXAUSA-N 362.451 2.603 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC4(CC3)C[C@@](C)(O)CCO4)cc2nc1C 2356147492 YNQXEPDPOGCHKT-FQEVSTJZSA-N 369.465 2.783 0 50 FFAA CN1CCc2ccc(C(=O)N=c3[nH][nH]c4c(C(F)(F)F)cccc34)nc21 2356150310 WMZIFAYWCPIGRP-UHFFFAOYSA-N 361.327 2.643 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 2808336 JZTMKWZSWJLPMC-DLBZAZTESA-N 364.873 2.875 0 50 FFAA Cc1ccc(CN2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 4041849 CAMQEKZFPBICDB-FQEVSTJZSA-N 359.429 2.772 0 50 FFAA biogenic CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)CC)ncc1Cl 4867618 PEWYLNFUYVMHDU-UHFFFAOYSA-N 369.830 2.575 0 50 FFAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2cccnc12 109326100 ISJBTOLMJROPHY-KRWDZBQOSA-N 374.400 2.704 0 50 FFAA biogenic COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Cl 10544061 DDVDIJUTCFZIKD-KBPBESRZSA-N 374.934 2.995 0 50 FFAA CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 9198202 ANNYLQSFAKQUFL-SNVBAGLBSA-N 350.831 2.979 0 50 FFAA CCc1nnc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1C 246801700 SSRJBXCTEHKSOI-KGLIPLIRSA-N 354.376 2.704 0 50 FFAA CCc1ccc(CN(CCOC)C(=O)c2nc3nc(C)cc(C)n3n2)cc1 55199683 GPNACEGRUXMVMZ-UHFFFAOYSA-N 367.453 2.592 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCc2onc(-c3ccccc3F)c2C1 67561903 OOTNBFVEBMGOOL-SFHVURJKSA-N 366.392 2.969 0 50 FFAA O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@@H]1CCO 67714831 UWBMXAXTKAGCAS-GOSISDBHSA-N 369.465 2.610 0 50 FFAA O=c1n(CCOc2ccccc2)nc(C2CCNCC2)n1-c1ccccc1 67886424 BMLRTRYHXLZFPB-UHFFFAOYSA-N 364.449 2.580 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C(C)C)CC1 26797297 OFYWBGRQNKBZDA-QGZVFWFLSA-N 352.500 2.562 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 65436206 RVDHHIKDHRXOIA-AWEZNQCLSA-N 356.422 2.654 0 50 FFAA COc1ccc(-c2nnc3sc(-c4cc(C)nn4C)nn23)cc1OC 36357875 QOQDIVLSERJCFW-UHFFFAOYSA-N 356.411 2.579 0 50 FFAA COCc1cccc(C(=O)N2C[C@@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 330549052 BJSXKPAULBRKNO-LSDHHAIUSA-N 358.360 2.505 0 50 FFAA CCOc1ccccc1C(=O)N1C[C@H](NC(C)=O)CC[C@H]1C(F)(F)F 330582376 SEZYVYQELMFDAF-DOMZBBRYSA-N 358.360 2.757 0 50 FFAA Cc1c[nH]cc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1=O 331538488 LQRXWHFFZSVSPA-HNNXBMFYSA-N 366.339 2.916 0 50 FFAA CCCn1c(C)nnc1SCC(=O)Nc1sccc1C(=O)OC 6400251 REWAPEPQHKMTPO-UHFFFAOYSA-N 354.457 2.575 0 50 FFAA CC(C)(CCC(=O)O)NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 262595338 IRIHNWLOTLAWSD-UHFFFAOYSA-N 362.407 2.912 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H](C)OC2(CCOCC2)C1 365581877 JGNZBIMMYDKBBW-HNNXBMFYSA-N 370.449 2.989 0 50 FFAA O=C(CCc1cccc2c1OCO2)N1CC[C@@](CO)(c2ccccc2)C1 368291055 KSSUUPYDRSZTKQ-OAQYLSRUSA-N 353.418 2.511 0 50 FFAA Cn1ccnc1CN(C(=O)c1cccc(Cl)c1)[C@H]1CC12CCNCC2 261900497 WLESUDJJHJDNIA-INIZCTEOSA-N 358.873 2.858 0 50 FFAA CC(C)(C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 77469980 FOJOAKILUQDRQZ-UHFFFAOYSA-N 373.478 2.813 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 72133956 GFFNQBQSWFGFRP-GOSISDBHSA-N 350.528 2.931 0 50 FFAA COC[C@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)CCO1 172894007 JGXOGRDACQUKTI-QGZVFWFLSA-N 356.422 2.765 0 50 FFAA Cc1nnc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)s1 175096980 XXUPUTZUOVBIQG-UHFFFAOYSA-N 351.398 2.632 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 136300463 WXARGYIITZDDHS-SMZQUOSYSA-N 368.477 2.591 0 50 FFAA CCCN1CCC(CCNC(=O)N2CC[C@H](n3nc(C)cc3C)C2)CC1 426510522 XGPUHOYAXDLGAW-IBGZPJMESA-N 361.534 2.968 0 50 FFAA CCC[C@@H]1CN(C2CCN(c3ccccc3OC)CC2)C[C@H]1NC(C)=O 82086940 ATZPRANUFOFVSH-IEBWSBKVSA-N 359.514 2.901 0 50 FFAA CNC[C@H]1CCN(C(=O)c2cc(C)nc3cc(Br)ccc23)C1 179002996 BQBIDKIOWNJPLV-GFCCVEGCSA-N 362.271 2.987 0 50 FFAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCN(CCn2cccc2)CC1 91809163 OONNQKQRARGVIW-MRXNPFEDSA-N 359.495 2.859 0 50 FFAA Cc1ncc(C(=O)N(Cc2ccccn2)Cc2ccc(C)s2)c(=O)[nH]1 91907767 MIWINOJLKIWDHB-UHFFFAOYSA-N 354.435 2.686 0 50 FFAA Cc1cccc(CN(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 91849404 LSIBMRPBVFKXMU-GOSISDBHSA-N 363.461 2.930 0 50 FFAA CCOC(=O)c1cccnc1-c1ccc(C(=O)NC2CCOCC2)cc1 426503207 BUFWZTBHZUPVLE-UHFFFAOYSA-N 354.406 2.834 0 50 FFAA CCCC[C@@H](NC(=O)c1cccc(-c2ccc(C(=O)NC)s2)c1)C(N)=O 426444552 KKXMWFDUDHJMDP-CQSZACIVSA-N 373.478 2.549 0 50 FFAA C[C@H](CNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)n1ccnc1 95506189 MMVHWOAOXTVAJV-OAHLLOKOSA-N 357.458 2.739 0 50 FFAA CC[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc(C)c(C)s1 91643935 UFJDJVOUWUQTGU-CQSZACIVSA-N 356.451 2.737 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCN(C3CCOCC3)CC2)C1 95500502 QXZGEHQPQDWQPW-GOSISDBHSA-N 374.529 2.500 0 50 FFAA Cc1c(CN2C[C@H](CO)[C@H](CN3C[C@H](C)O[C@H](C)C3)C2)oc2ccccc12 91680411 ROEUULZRHHSFIZ-UKBAYJJMSA-N 372.509 2.891 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1 91526580 HVVBBPSNPVVLNH-KRWDZBQOSA-N 363.454 2.880 0 50 FFAA O=C1NC2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C[C@@H]1c1ccccc1 95378243 AHGMXGCTFMZNJL-MRXNPFEDSA-N 364.449 2.566 0 50 FFAA COCC[C@]1(CO)CCCN(Cc2cc(Cl)c(OC)cc2OC)C1 91390917 GCWLMSUMNNVUIB-GOSISDBHSA-N 357.878 2.968 0 50 FFAA CCSc1ncc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cn1 91754696 ROHMRDJXAQFPOT-LJQANCHMSA-N 360.527 2.813 0 50 FFAA CCn1c(CN(C)Cc2nc3ccccc3s2)nnc1[C@H]1C[C@@H](N)C1 244748774 OOEARGTYDLJYTA-BETUJISGSA-N 356.499 2.744 0 50 FFAA O[C@H]1Cc2ccccc2C12CCN(Cc1nc(-c3ccncc3)no1)CC2 244734436 NFJPPGVGGUCXLL-SFHVURJKSA-N 362.433 2.582 0 50 FFAA Cc1nc(C)c2c(n1)O[C@H](CN(C)Cc1cc(-c3cccs3)n[nH]1)C2 244734958 NQOGTYUBEVVYKA-AWEZNQCLSA-N 355.467 2.981 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc(CSc2nnc[nH]2)o1 244795243 RCFUFMISZJZDOY-AWEZNQCLSA-N 370.434 2.766 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2n1 244758138 OTBSJCWDKIOOAH-CQSZACIVSA-N 368.441 2.872 0 50 FFAA O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 298714458 KRFVQAOJGJXXSC-QXAKKESOSA-N 374.456 2.848 0 50 FFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)N2CCC(OC)CC2)cn1 534645887 DKFWCXHOCNAXBG-CQSZACIVSA-N 358.442 2.762 0 50 FFAA Cc1nccn1CCC(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 299774509 DCVPLHYSCAGPPJ-UHFFFAOYSA-N 365.359 2.804 0 50 FFAA COc1nc(-c2cccc(C(=O)N(C)CCOc3ccccc3)c2)nn1C 299759492 SNTHROKMLTVMMZ-UHFFFAOYSA-N 366.421 2.642 0 50 FFAA Cc1nc(C(C)C)sc1CNC(=O)c1ccc(-c2nnn(C)n2)cc1 299797171 PCHUKYAVWIXQPC-UHFFFAOYSA-N 356.455 2.695 0 50 FFAA Cc1nccn1Cc1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 828215413 FUKDHMSTANYFCC-UHFFFAOYSA-N 373.416 2.739 0 50 FFAA O=C(Cc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1)NC1CC1 827848685 KKPDQQHLCJHCGY-QGZVFWFLSA-N 370.449 2.712 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)NCc2nc(-c3ncccn3)no2)c(C)s1 584895130 IESROYSECBYKQI-SECBINFHSA-N 373.442 2.503 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)NCCSc2ccccn2)C1 584894608 PMVLNSGEVNNTNN-LJQANCHMSA-N 357.479 2.785 0 50 FFAA COc1ccc2nc(CNC(=O)c3cc(-c4ccsc4)[nH]n3)[nH]c2c1 670459229 FURQNVDAPILAEF-UHFFFAOYSA-N 353.407 2.953 0 50 FFAA C[C@@H](C(=O)NCCc1nc2ccccc2o1)c1nnc(O)c2ccccc12 952985752 CTMCDFBEJCOSPF-GFCCVEGCSA-N 362.389 2.939 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc1 952967072 ZCCDTUCCDGADDE-OAHLLOKOSA-N 359.470 2.865 0 50 FFAA Nc1nnc(SCC(=O)N(Cc2ccncc2)C2CCCCC2)s1 952964468 NONYDZRCSLMDQP-UHFFFAOYSA-N 363.512 2.969 0 50 FFAA N[C@H]1CCN(Cc2ccccc2OCc2c(F)cccc2Cl)C[C@@H]1O 1565509833 KPKXQRZJMYDJOT-ROUUACIJSA-N 364.848 2.952 0 50 FFAA O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCC1CCSCC1 274327216 HWTYRXCPYCJBRO-UHFFFAOYSA-N 360.479 2.794 0 50 FFAA Cc1c(C(=O)NCCN2CCc3ccccc3C2=O)cnn1C1CCCC1 190165146 CNABBCUOQXHJPL-UHFFFAOYSA-N 366.465 2.735 0 50 FFAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 195080036 OTNZQNFWKKINCO-UHFFFAOYSA-N 364.852 2.787 0 50 FFAA COc1ccc(CN2CC[C@H](O)[C@H](C(=O)O)C2)cc1OCc1ccccc1 1616070331 NZKKDUBEBIXALZ-MSOLQXFVSA-N 371.433 2.542 0 50 FFAA Cc1cccc(Cl)c1CN1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215312239 PPROUYSYHNKGEM-QAPCUYQASA-N 350.890 2.844 0 50 FFAA COc1cccc(-n2cc(CN(C)C[C@@H]3CCC(=O)N(C(C)C)C3)cn2)c1 1772807578 PJFFUXLFYUGXST-KRWDZBQOSA-N 370.497 2.960 0 50 FFAA Cc1oc2c(c1C(=O)N1CCC(c3ccn(C)c(=O)c3)CC1)C(=O)CCC2 1772810049 HVGPHSDKKYXROX-UHFFFAOYSA-N 368.433 2.826 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3ccc(F)cc3)n2)cc1OC 5346122 IZUNKZXJTAWUJC-UHFFFAOYSA-N 357.341 2.823 0 50 FFAA COc1ccccc1CCc1nnc(CCC(=O)NCCc2ccco2)o1 12297592 SSWXDSVOCFIDQP-UHFFFAOYSA-N 369.421 2.748 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 12431491 OFJDBCVDKWZEBX-ZVVFDCPKSA-N 364.401 2.945 0 50 FFAA COC(=O)c1ccc(CNC(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)cc1 12053288 INVHELWZSCXIMR-SFHVURJKSA-N 370.380 2.616 0 50 FFAA CCc1nn2c(ncc3c(=O)n(-c4nnc(C)[nH]4)ccc32)c1-c1ccccc1 19818861 BKPQAXDZQBVVIM-UHFFFAOYSA-N 371.404 2.689 0 50 FFAA Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccc(F)cc1)N2 169780384 QPUDITKXPWWIMY-UHFFFAOYSA-N 368.412 2.801 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCc1ccc(O)cc1 1857713273 OCKWNSOCYKPZRS-HNNXBMFYSA-N 366.421 2.851 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)cc(C)n1 1857717132 MPXMHZPWFIMYHA-XKGFGPFHSA-N 367.449 2.705 0 50 FFAA CC(C)SCCN1C[C@@H]2[C@H](CNC(=O)c3ccco3)[C@H]3CC[C@]2(C1)O3 1857725156 KYCHUWOBNMVTDZ-WFXMFSGNSA-N 364.511 2.630 0 50 FFAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1857740670 TZMCSBMHOIZOSM-CZUORRHYSA-N 353.825 2.806 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 408513244 FGULFEMWQFQOKV-UBHSHLNASA-N 353.365 2.551 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cc2c(cc1Cl)OCCO2 333567888 RMKOPKZAEFCPBD-NXKWAJLKSA-N 359.809 2.808 0 50 FFAA Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)sc2ncnc(O)c12 253589057 KIBOUGKBKODWFI-KBPBESRZSA-N 372.494 2.652 0 50 FFAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(Cl)cn1 154973769 CNNFZDDVUPWTCN-INIZCTEOSA-N 357.841 2.699 0 50 FFAA COc1ccccc1-c1ccccc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 1875262361 FUZPTNNJUHQYAL-CYBMUJFWSA-N 351.410 2.751 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1Cc1ccc(C(N)=O)cc1 1875398686 BIFYZQYVTDBVOZ-IRXDYDNUSA-N 369.469 2.637 0 50 FFAA CC(C)(C(=O)O)n1cc(NC(=O)c2csc(Br)c2)cn1 262855869 YBQBJBWRUYTNSN-UHFFFAOYSA-N 358.217 2.779 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)COc3cccc(C(N)=O)c3)cc2)c1C 2325737233 RBVQWJQQIRBABW-UHFFFAOYSA-N 364.405 2.606 0 50 FFAA CCOC(=O)c1ccc(NC(=O)COc2cccc(C(=O)OC)c2)cc1 1138426 HZGXRWORMHMGJY-UHFFFAOYSA-N 357.362 2.667 0 50 FFAA COC(=O)c1ccccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1782109 QVOVGMJLTQRCDU-UHFFFAOYSA-N 367.357 2.906 0 50 FFAA biogenic CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 2928276 DNONUYUGGOUVTK-MRXNPFEDSA-N 364.467 2.962 0 50 FFAA Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCCC1 3216188 KFOXQAZSCJVSRW-UHFFFAOYSA-N 350.484 2.842 0 50 FFAA C[C@@H](C(=O)Nc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 6698064 LUXKQQFKSSCGTH-NSHDSACASA-N 353.831 2.528 0 50 FFAA C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NC[C@@H](O)C1CCCC1 222332569 OXURWWOFNIHSLG-DJIMGWMZSA-N 356.507 2.542 0 50 FFAA CCN(CC)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)ncn2)cn1 110215446 NELNRBMSZXEZFA-QGZVFWFLSA-N 370.501 2.539 0 50 FFAA O=C(c1coc2ccccc12)N1CCN(Cc2nccn2C(F)F)CC1 113158139 MZOUBTFGGXQHPW-UHFFFAOYSA-N 360.364 2.982 0 50 FFAA CCOc1cccc(CN(CCO)C(=O)c2[nH]nc3c2C[C@@H](C)CC3)c1 55371059 UUMCGTAGKBASCD-AWEZNQCLSA-N 357.454 2.568 0 50 FFAA CSc1ncc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)cn1 104302904 LWAFLLPDPZYXCI-LJQANCHMSA-N 372.538 2.576 0 50 FFAA Cc1nn2c(ncc3c(=O)n(-c4ncccn4)ccc32)c1-c1ccccc1 22610663 MYUACHUQYGGXGZ-UHFFFAOYSA-N 354.373 2.799 0 50 FFAA C[C@H]1CN(CCCNC(=O)Cc2ccccc2C(F)(F)F)C[C@@H](C)O1 104224342 URYWEDFGVOYXNE-OKILXGFUSA-N 358.404 2.863 0 50 FFAA O=C(Nc1ccc2nccnc2c1)c1cccc(CN2CCC[C@H](O)C2)c1 65409032 LOIZPDVEQKIGNJ-SFHVURJKSA-N 362.433 2.839 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 65365402 DFBWKNNGYVUQKW-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA Cn1c(CCNC(=O)CC2(n3cccc3)CCOCC2)nc2ccccc21 409414721 VJCLNIXAPCCOPB-UHFFFAOYSA-N 366.465 2.630 0 50 FFAA Cc1nc(CNC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)no1 173556937 BPKNKFGQMFYNET-ZDUSSCGKSA-N 371.224 2.968 0 50 FFAA Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCc4c(O)cccc43)CC2)c1 119306378 CNBRDAYPHBJMTQ-QGZVFWFLSA-N 352.438 2.615 0 50 FFAA O=C(O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1C(F)(F)F 120314584 ZOAWYCGHPXUZSB-UHFFFAOYSA-N 352.334 2.546 0 50 FFAA CN(Cc1ccncn1)C(=O)c1cc(COc2c(F)cccc2F)on1 67948065 YTFDDJKMICAKCP-UHFFFAOYSA-N 360.320 2.594 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@@H]1CN1CCCC1 171655706 XSSNIHKSARZTNH-HXUWFJFHSA-N 356.514 2.925 0 50 FFAA Cc1ccoc1C(=O)N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72412064 DEBQHBUHXZBHQZ-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA CN(Cc1nnc(-c2ccco2)o1)[C@@H]1CCCN(c2ccccc2)C1=O 172012097 GTFZDXGTFLEMEG-OAHLLOKOSA-N 352.394 2.957 0 50 FFAA NC(=O)c1csc(C(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1 124793248 WXDIPDSIAPYXAN-CYBMUJFWSA-N 356.407 2.827 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccccc1-n1cncn1 71614004 BPKOOXBMEVOCAO-UHFFFAOYSA-N 350.407 2.544 0 50 FFAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC1CCCCCCC1 12763680 AWYWCTJFPAMLOD-FQEVSTJZSA-N 371.525 2.915 0 50 FFAA Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@@H](C)Sc1ccccc1 172919776 WXOOIOYBIFJTRE-LLVKDONJSA-N 370.521 2.615 0 50 FFAA CCc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)[nH]n1 77421305 KEPXGSGOHZBJKX-HXUWFJFHSA-N 360.502 2.863 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)CCn3cc(C)cn3)C2)CCC1=O 77421058 UGOTZECOLVSYKR-FQEVSTJZSA-N 360.502 2.613 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 332949196 TWRPPQZONJDCEM-BOFXEDATSA-N 374.481 2.805 0 50 FFAA N[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 72168425 OQZQTMJWBJKOSP-HNNXBMFYSA-N 363.889 2.532 0 50 FFAA CN(C)C(=O)c1ccnc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c1 333351260 FLIJSCUJHLCFNP-QGZVFWFLSA-N 372.469 2.596 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(-c2ccc(Br)cc2)n[nH]1 157342488 DKZRTRKWYOUCAX-KYOSRNDESA-N 362.227 2.889 0 50 FFAA Cc1cc(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)ns1 373588195 KDYHQJBKFOWTLZ-UHFFFAOYSA-N 356.373 2.828 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 238102887 PDKVPQKQEAJEKL-HUUCEWRRSA-N 371.355 2.901 0 50 FFAA CC(C)CCC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72436100 ARRYHVNDPKTLNT-QGZVFWFLSA-N 361.534 2.943 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)n2)s1 226351776 UNSHFKKSPVYQPC-AAXDQBDMSA-N 364.448 2.997 0 50 FFAA O=C(N1CCCC[C@@H]1CCN1CCOCC1)C1(c2ccccc2F)CC1 82106980 QCXPGSKZNAKELP-QGZVFWFLSA-N 360.473 2.961 0 50 FFAA O=C(Nc1n[nH]c(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 48080880 PTFWBBGKXKYRSS-UHFFFAOYSA-N 366.400 2.965 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(CN2CCCC2)cc1 222720633 UZBYFORXWPYJNS-GOSISDBHSA-N 359.470 2.520 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCc1nc2ccccc2n1C 426511941 BKSWUFJVJVXUPT-UHFFFAOYSA-N 352.442 2.517 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCc3ccc(C)o3)[C@@H](C)C2=O)cc1 426431354 QKDCHQBJBQVAFD-HNNXBMFYSA-N 371.437 2.586 0 50 FFAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc3ccccc23)n1 226563256 OCSNGTVPEMSZBP-LFGUQSLTSA-N 373.412 2.751 0 50 FFAA Cc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)cc1Cl 334161770 HSEVOCFWTBKASZ-HNNXBMFYSA-N 357.797 2.728 0 50 FFAA Cc1cc(CN(C)C(=O)NCC2(N3CCOCC3)CCCCCC2)on1 426536288 MZDUBWMTJDEHSA-UHFFFAOYSA-N 364.490 2.550 0 50 FFAA COCc1cc(N2CCC(N3CCCNC3=O)CC2)c2cc(F)ccc2n1 290927263 JFXSYICFUPEUNT-UHFFFAOYSA-N 372.444 2.904 0 50 FFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCc2ncc(C)[nH]2)cc1 426406019 BWRBFVRLHORKKY-KRWDZBQOSA-N 358.442 2.618 0 50 FFAA Cc1cc(=O)c(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)cn1C 426401964 POXWNYITGKACRG-LJQANCHMSA-N 367.493 2.868 0 50 FFAA N[C@H]1CCC[C@@H](C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)C1 96166246 IDJFRFLSBUVFPA-YPMHNXCESA-N 360.408 2.757 0 50 FFAA C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H]1CO)Oc1cccc(Br)c1 334099728 PACDWVFWMMTEHY-JMSVASOKSA-N 371.275 2.629 0 50 FFAA O=C1C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1ccncc1 96149902 HHEOSHLIIPLTQN-AWEZNQCLSA-N 360.377 2.524 0 50 FFAA CCOc1ccc2ccccc2c1[C@H](C(=O)O)N1CCC(C(N)=O)CC1 95374453 QZGYGCLKJLHLJA-GOSISDBHSA-N 356.422 2.562 0 50 FFAA CCOc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95372838 NZQZVWVHRXSQLV-GOSISDBHSA-N 360.454 2.545 0 50 FFAA O=C(NC[C@H]1COc2ccccc2O1)c1c[nH]nc1-c1cccc(F)c1 91943401 DCOYTTYVSUFOKM-AWEZNQCLSA-N 353.353 2.786 0 50 FFAA O=C(c1cc(F)ccc1Cl)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91818787 DCPYXDRMYWMFKB-ZIAGYGMSSA-N 354.853 2.646 0 50 FFAA O=C(CN1CCN(Cc2cccc(F)c2)CC1)NCCC1=CCCCC1 22751958 PMULKJMFGRNJPE-UHFFFAOYSA-N 359.489 2.950 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 91676928 FPOHHJXVODRFIO-HXUWFJFHSA-N 358.438 2.589 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cn2ccsc2n1 91626234 QSDITIGAJFXUAX-NSHDSACASA-N 360.826 2.585 0 50 FFAA CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)ccn1 180307102 CXZWXAOUGKCWJL-ZBFHGGJFSA-N 369.469 2.816 0 50 FFAA C[C@H](C(=O)N(C)Cc1cnc2ccccc2n1)n1c(=O)oc2ccccc21 240499979 NPYQEPBDSQVFGN-CYBMUJFWSA-N 362.389 2.757 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3F)CC2)no1 244723519 MDBVWGASDSANDM-LLVKDONJSA-N 365.380 2.905 0 50 FFAA O=C(NCc1ccccc1F)N[C@H]1C[C@@H](c2cc(O)nc(C3CC3)n2)C1 253535343 MFRKJMZFJPDMLJ-OKILXGFUSA-N 356.401 2.944 0 50 FFAA CC(C)c1cnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)s1 182965262 CJHTWZZAWQUDSN-UHFFFAOYSA-N 364.559 2.787 0 50 FFAA CNc1nc(C)c(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4)cc2)s1 534581900 ADEKGRNLZJRRIQ-CABCVRRESA-N 370.478 2.511 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)c3ccnn3C)C[C@@H]1N(CC1=CCCCC1)CC2 534588328 UFRMVYUZFULQMJ-SLYNCCJLSA-N 372.513 2.662 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCN(Cc4cccc(O)c4)CC3)cc2c1 67805767 XPHMYFXJQQNJPR-UHFFFAOYSA-N 363.461 2.860 0 50 FFAA O=C(CCCn1cncn1)NC[C@@H](c1ccccc1)N1CCCCCC1 299776399 KJMPRQJDSCHVFK-IBGZPJMESA-N 355.486 2.792 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)N(C)C1CCS(=O)(=O)CC1 299802456 WQRBFKQYHVSETN-UHFFFAOYSA-N 360.863 2.698 0 50 FFAA c1ccc2c(CN3CCn4nc(CNc5cnccn5)cc4C3)ccnc2c1 299761582 LCFYXJZRKYZJMN-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA CC(=O)N1CCCN(C(=O)Nc2ccccc2CCc2ccccn2)CC1 299792087 DGWYJZYONFDSHB-UHFFFAOYSA-N 366.465 2.953 0 50 FFAA COc1ccccc1Cc1nc([C@H]2CC23CCNCC3)n(CC(C)(C)O)n1 824821923 ZVQWMOVJJIZREP-MRXNPFEDSA-N 370.497 2.506 0 50 FFAA CCn1ncnc1CN1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1076066139 FJNLBULLPPAVPR-MBOZVWFJSA-N 354.454 2.769 0 50 FFAA O=C(NCC1CCC(C(=O)O)CC1)c1cc(-n2cnnc2)ccc1Cl 952963482 TXRZIUYHCVWRHE-UHFFFAOYSA-N 362.817 2.542 0 50 FFAA Cc1cc(C)n(CC(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 275648192 KKRBLFGPVZDPQU-QGZVFWFLSA-N 358.511 2.732 0 50 FFAA CCc1[nH]c(C(=O)N2CCC[C@]2(CO)CC(C)C)c(C)c1C(=O)OC 170609961 NJLZMFIDFZXSPM-LJQANCHMSA-N 350.459 2.685 0 50 FFAA Cc1cc(C)n(-c2cncc(NCc3cc(F)cc4c3OCOC4)n2)n1 170618572 QRAYWXMIMWJUPL-UHFFFAOYSA-N 355.373 2.897 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 279220904 FOXYILWJIASACP-MJGOQNOKSA-N 368.481 2.917 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H](C2CC2)O1 1529198500 BECOWMGSABKIDT-CRAIPNDOSA-N 358.438 2.827 0 50 FFAA COc1ccc2cc(CN3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)ccc2c1 1529168296 ZSZPPAFJQSINSI-NQIIRXRSSA-N 351.450 2.915 0 50 FFAA COc1cccc2c(C)cc(N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)nc12 1704337043 REOPLRVMTLXTHK-UTKZUKDTSA-N 369.465 2.927 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(CCN(C)C)Cc1cnc[nH]1 1704307914 MVQOMYUJJMRUGC-UHFFFAOYSA-N 367.497 2.949 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cn[nH]c4)C3)C2)c1 11949367 WLLWTHRGKZOQNC-HXUWFJFHSA-N 372.444 2.686 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N[C@H]2CCOC(C)(C)C2)n[nH]1 12446501 YXIXILNEJWPDPP-AWEZNQCLSA-N 367.453 2.804 0 50 FFAA COc1cccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 12471007 PBEUKXCRPISNIX-SFHVURJKSA-N 371.525 2.650 0 50 FFAA Cc1ccn(CC(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)n1 12588800 JRUOKSGHECZHCA-MRXNPFEDSA-N 367.371 2.680 0 50 FFAA CC[C@H](C(=O)Nc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 13711111 MGCKSNKIUDFBCK-MRXNPFEDSA-N 362.451 2.879 0 50 FFAA Cc1nonc1CN(C)[C@@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 15004778 BECTUAZRHAWBBL-CQSZACIVSA-N 364.396 2.669 0 50 FFAA CC(C)(CO)NC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696635 JWDFFWXXQVCRLV-NSHDSACASA-N 351.834 2.585 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(NCC2CC2)nc1 329909358 UYWHTEBNMBUKBU-QGZVFWFLSA-N 353.470 3.231 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)nnn1-c1cnn(C)c1 333997525 OXFXXUMGYPZZPU-AWEZNQCLSA-N 358.490 2.986 0 50 FFAA COCc1cc(CN2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)ccc1OC 247878700 PHHPWSHFSRMXPQ-MSOLQXFVSA-N 356.422 2.537 0 50 FFAA C[C@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 266968011 VWGQTPZLHCOWFJ-ZJUUUORDSA-N 350.267 2.742 0 50 FFAA Cc1c(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)nc(O)c2ccccc12 1875279567 YORVLJFCKMJJIN-QFIPXVFZSA-N 373.412 2.985 0 50 FFAA CC(C)(C)O[C@@H]1C[C@H](CC(=O)N2CCc3c[nH]c(=N)nc3C2)C12CCC2 1875285021 ADIOQSMLJFJELJ-GDBMZVCRSA-N 358.486 2.538 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccc3nc(C4CCNCC4)[nH]c3c2)cn1 1875319523 GRAUAEQAZOGVIY-UHFFFAOYSA-N 371.466 2.534 0 50 FFAA CO[C@@H](C(=O)NC[C@@H](N)c1ccc(F)cc1F)c1cc(F)cc(F)c1 1875344704 JILYGAFHJZQYHM-HZPDHXFCSA-N 356.319 2.747 0 50 FFAA N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1-c1nc2ccccc2s1 1875304711 RLCICLFQUHQSDO-SFTQSGBHSA-N 365.462 2.609 0 50 FFAA C[C@H]1C[C@@H]1C(=O)NC1CC2(CC(CN=c3[nH]nc(C(F)F)s3)C2)C1 1875406581 HRRGEXONBZPXPJ-FKQXMCEVSA-N 356.442 2.641 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Cn2nnc3cc(Cl)ccc3c2=O)C1 886035489 ZLLUTVPNCHYVRE-ZDUSSCGKSA-N 368.824 2.607 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@H](CC(=O)NC)C3)ncnc21 2100473507 NRYHLAHLDDZODD-OAHLLOKOSA-N 372.517 2.787 0 50 FFAA CCN(CC)[C@H](C)CNC(=O)N1CCN(c2cc(F)cc(F)c2)CC1 2325739646 ABQPALDALFOZTA-CQSZACIVSA-N 354.445 2.527 0 50 FFAA Cc1ccccc1N1C[C@@H]([C@H](C)NCCn2nnc3ccccc32)CC1=O 2325807155 FBCZQTGOTOHJLJ-IRXDYDNUSA-N 363.465 2.771 0 50 FFAA COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC 780038 HRQCQNHZAVWPBD-UHFFFAOYSA-N 374.412 2.814 0 50 FFAA CCOc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2158659 HNPLCKUQXNLVQL-CABCVRRESA-N 353.422 2.898 0 50 FFAA biogenic O=C(COC[C@@H]1CCCCO1)N1CCC2(CC1)OCCc1sccc12 2356166445 XWPMDFOZRVFYJF-HNNXBMFYSA-N 365.495 2.724 0 50 FFAA CN(C(=O)c1cc(-n2cccn2)ccc1Cl)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356169610 DWLBOPZABURXDD-GUTXKFCHSA-N 372.856 2.512 0 50 FFAA O=C(c1ccncc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 4117598 LVXIMUGFCWLIGF-HNNXBMFYSA-N 353.275 2.722 0 50 FFAA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccco1 4570486 DZFOFYRMQQVSJU-NSHDSACASA-N 360.435 2.991 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(O)cc2)c1 4842438 ULMWVZUDJUTWBG-UHFFFAOYSA-N 362.451 2.983 0 50 FFAA COc1ccc(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)cc1F 109609101 GSRLMOXQLNNINV-UHFFFAOYSA-N 362.382 2.879 0 50 FFAA CC(C)c1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1 101755298 GYSVFIKIJITNBD-QILLFSRXSA-N 364.511 2.881 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CCOCC1 114425496 QNUOUVRDGULWAF-INIZCTEOSA-N 356.388 2.823 0 50 FFAA CCc1ncc(CN[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cn1 55271650 NGSWNVZRCRGISY-QGZVFWFLSA-N 358.873 2.626 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N[C@H](C)c1ccc(F)cc1 248378845 KUCDWMBZYORNKV-SIUPPRGNSA-N 362.445 2.809 0 50 FFAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 24611797 YDQGLYUIYUVSQW-UHFFFAOYSA-N 364.511 2.549 0 50 FFAA Cn1nc(C(=O)N(Cc2cccnc2)[C@H]2CCCc3ccccc32)ccc1=O 20778713 RKYZCAVRGJVTKK-FQEVSTJZSA-N 374.444 2.895 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCC2)n(C)n1 65394637 KEOKPRIKCJXGFC-IBGZPJMESA-N 355.486 2.581 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4nc(N(C)C)ncc43)[nH]n2)o1 12300950 AZCGKBXVJZAWFE-ZDUSSCGKSA-N 366.425 2.642 0 50 FFAA Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 12074529 QBMMWZQDIXZTKJ-INIZCTEOSA-N 365.481 2.852 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCCCC2)nc1 171836748 IDIVDRNJXNJUCU-SFHVURJKSA-N 372.513 2.935 0 50 FFAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 72139175 HAEDIJVMEZMLDE-INIZCTEOSA-N 369.465 2.853 0 50 FFAA COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c(C)c1 71524173 QZSHHSAEVYTXIC-UHFFFAOYSA-N 361.419 2.810 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=S)N(C)Cc2cnn(C)c2C)s1 6708385 JQZIRCFEQVKJOV-UHFFFAOYSA-N 366.512 2.968 0 50 FFAA CSCCCN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77471414 NFVBRRCEKRSJDO-IBGZPJMESA-N 362.543 2.743 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 72430546 RIHOOXHRCSMCPC-ZDUSSCGKSA-N 350.426 2.805 0 50 FFAA Cn1cnc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)ccc21 363286037 ACYZPYLVTVVEIO-KRWDZBQOSA-N 368.462 2.807 0 50 FFAA C[C@@H](C(=O)N1CCOc2c(Cl)cccc21)n1nnc(-c2ccccc2)n1 158465327 ACJDNOONJXDRDT-LBPRGKRZSA-N 369.812 2.980 0 50 FFAA NS(=O)(=O)c1ccc(CCN[C@@H]2CCCOc3ccc(F)cc32)cc1 128003499 XLVGFFHMRSSDSN-QGZVFWFLSA-N 364.442 2.519 0 50 FFAA O=C(Nc1cccc2cccnc12)C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 371427664 XYEUWVSSEFZDMT-HOTGVXAUSA-N 367.449 2.839 0 50 FFAA O=C([C@H]1C[C@]12CCc1ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333597962 PZOHITIEDVGQOQ-KNQAVFIVSA-N 362.477 2.554 0 50 FFAA C[C@@H](Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)[C@H]1CCOC1 374347230 CHZRMXMPMMVDBF-CABCVRRESA-N 358.486 2.704 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 237433071 ULZDMPHAJDPTBI-DGCLKSJQSA-N 359.451 2.533 0 50 FFAA CCc1nc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 72127079 UQDRUOJFZJDFCG-DUXKGJEZSA-N 368.481 2.703 0 50 FFAA Cc1cccc2c(CCC(=O)N3CCOC[C@@H]3[C@H]3CCC[C@H]3O)c[nH]c12 241124176 JGCWNIDXAHRUPK-GUDVDZBRSA-N 356.466 2.797 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N(C)C[C@H]1COCCO1 426496607 BEVHAICVAKRVFD-AWEZNQCLSA-N 365.861 2.729 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CN(C)C(=O)CO3)C2)sc1-c1ccccc1 426734188 YBRLDTSNURUCKW-HXUWFJFHSA-N 370.474 2.797 0 50 FFAA COCc1nc(NCCOc2ccc(C)c(C)c2)cc([C@@H]2CCOC2)n1 426698527 ZCZPZSRCLNZSEY-MRXNPFEDSA-N 357.454 3.235 0 50 FFAA COc1ccc([C@@]2(C(=O)N3CCC(n4cnnc4)CC3)CC2(C)C)cc1 426661996 JCJKJHMAXAQXSP-HXUWFJFHSA-N 354.454 2.818 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)NCCc1ccccc1Cl)CC2 426690338 RYVMHYIWWZMWBH-UHFFFAOYSA-N 363.889 2.974 0 50 FFAA COCc1nc([C@H]2CCOC2)cc(N2CCC(O)(c3ccccc3)CC2)n1 426359506 IXQCFCTZPZGHOQ-INIZCTEOSA-N 369.465 2.615 0 50 FFAA O=C(c1ccccc1F)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95384177 IPWSJALFKGOMDZ-VBKZILBWSA-N 355.365 2.604 0 50 FFAA COCCCN1CCC[C@@]2(CCN(c3ncnc4ccsc34)C2)C1=O 92003555 GTFJRYRTWFVHEL-SFHVURJKSA-N 360.483 2.547 0 50 FFAA C[C@H](NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1)C(=O)O 95516796 POCQTWRWZKAFOR-KRWDZBQOSA-N 366.461 2.810 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)c1 239433158 XHKGLSKZVRERJG-ZWRLCHQNSA-N 364.445 2.684 0 50 FFAA COc1ccc(CN2CCC2)c(OC[C@H](O)CN2CCCCCCC2)c1 95497732 MBFVMVADENDLFW-LJQANCHMSA-N 362.514 2.907 0 50 FFAA CN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCc1cnn(C)c1)CC2 95509900 YDWKOCJPEKIOAW-HXUWFJFHSA-N 366.509 2.833 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC[C@@]1(O)C1CCC1 92061936 BFLJJRGODJZNOW-ODXCJYRJSA-N 358.413 2.680 0 50 FFAA COc1ccc(CN2CC[C@]3(CCCN(C)C3=O)C2)c(Cl)c1OC 91770557 XBKMDFOTLXMZGX-GOSISDBHSA-N 352.862 2.802 0 50 FFAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)OCC(=O)c1ccccc1 239425940 VMTVUERGNJQNRB-MUTRFQPFSA-N 354.402 2.660 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccc1F)C2 91914737 JYKDIRWWPCASIA-DOTOQJQBSA-N 356.445 2.523 0 50 FFAA NC(=O)c1ccc(OCCCN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 252481383 CKIAZJKSZJUZGG-LJQANCHMSA-N 358.413 2.767 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(Br)cc1 299742084 GTNTZGAZHPDWIT-MFKMUULPSA-N 356.216 2.508 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 299747616 DKFLKNCHKFSRKF-SJORKVTESA-N 367.401 2.918 0 50 FFAA COc1coc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1=O 376752906 VAVREYWFMXVTDO-UHFFFAOYSA-N 358.781 2.982 0 50 FFAA biogenic Cc1ccc(C)c([C@H](NC(=O)CN(C)C2CCNCC2)c2cccnc2)c1 299798480 QBWRSHXPWZXFOD-JOCHJYFZSA-N 366.509 2.588 0 50 FFAA O=C(Cc1ccc(NC(=O)NCCCc2cccnc2)cc1)NC1CC1 299779610 SGENQQXWUIJUEH-UHFFFAOYSA-N 352.438 2.657 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1ccccc1N1CCOCC1 823640535 YFWGMBIIHJSSCB-HXUWFJFHSA-N 354.450 2.719 0 50 FFAA COc1ccc(-n2nc(C)nc2C2CCN(C3CCN(C)CC3)CC2)cc1 824698904 ANWGTPLHIJELMJ-UHFFFAOYSA-N 369.513 2.858 0 50 FFAA O=S(=O)(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc2nc[nH]c2c1 670444917 LVUOYACZPCGXOR-UHFFFAOYSA-N 361.814 2.571 0 50 FFAA Nc1nc2c(s1)C[C@@H](NC(=O)C1(c3cccnc3)CC3(CCC3)C1)CC2 1354005350 ISYVOKPRDUQOOS-AWEZNQCLSA-N 368.506 2.996 0 50 FFAA O=C(CCc1nc(C2CCCC2)no1)NCc1cccc(-n2cncn2)c1 268619210 ZYQNEJYKTIEUSH-UHFFFAOYSA-N 366.425 2.557 0 50 FFAA Cc1cc(OCC(=O)N(CCC(=O)O)C2CCOCC2)ccc1C(C)C 408513237 CWUHHJJOJAHYKO-UHFFFAOYSA-N 363.454 2.980 0 50 FFAA Cc1ccccc1C1CC(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)C1 275475179 HYSNREVXTOSQPL-LXPRWKDFSA-N 352.482 2.593 0 50 FFAA COC(=O)c1sc2nc([C@@H]3COc4ccccc4O3)[nH]c(=O)c2c1C 170616538 PLHYDQNHVSEWES-NSHDSACASA-N 358.375 2.592 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCCc1c(F)cccc1F)C(=O)C2 193945124 KGRDLEOTMGEVCD-KPZWWZAWSA-N 371.449 2.822 0 50 FFAA COc1cc(C)ccc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616079235 FFTDWOHRTKCECI-ICSRJNTNSA-N 366.461 2.902 0 50 FFAA CC(C)c1cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)nc(N)n1 1506425110 DKPGOAOEWPFARL-INIZCTEOSA-N 360.483 2.830 0 50 FFAA CNC(=O)C[C@@H]1CCN(c2cc(N)nc(SCc3ccccc3C)n2)C1 1704313935 SVOXTSJEEYTVEC-AWEZNQCLSA-N 371.510 2.622 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 4096987 ROUDCKODIMKLNO-CTBSXBMHSA-N 368.470 2.654 0 50 FFAA endogenous,in-man COc1cccc(N2CCC(N3C[C@H](O)[C@H](Cc4ccncc4)C3)CC2)c1 1704350565 OHXDQZLPXOGBPN-GCJKJVERSA-N 367.493 2.594 0 50 FFAA O=C1N[C@@](Nc2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 13153144 RSLSYWOCBPGKBV-CQSZACIVSA-N 354.263 2.648 0 50 FFAA C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)C1 13745577 UIPNORYSJAPVNE-AWEZNQCLSA-N 359.451 2.755 0 50 FFAA COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCCC1 13945914 XLTHCYMEPVHXJS-UHFFFAOYSA-N 366.483 2.542 0 50 FFAA COc1ccc(CCNC(=O)CC[C@@]2(Cc3ccco3)CCC(=O)N2)cc1 14888715 ZOSGVILFAHEVAG-NRFANRHFSA-N 370.449 2.619 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3cccnc3)nc2)C1 19798680 LUDIIYGDVCAVKF-QGZVFWFLSA-N 354.454 2.630 0 50 FFAA Cc1noc2nc3c(c(C(=O)N4CCC(C5CCNCC5)CC4)c12)CCC3 1857678658 JJQAHKMLWCMCLH-UHFFFAOYSA-N 368.481 2.872 0 50 FFAA CC(C)=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3cnsc3)C2)C1 1857682322 VLKOVYUKTXMSDE-IEBWSBKVSA-N 363.527 2.788 0 50 FFAA C[C@@H]1N(C(=O)c2cn3cc(Cl)ccc3n2)CCC[C@@]12CCCNC2=O 1875243625 PIKHAPQDLCTDAL-SGTLLEGYSA-N 360.845 2.509 0 50 FFAA C[C@@H]1OCC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 331709951 BRGQRPNBUDJIFK-CABZTGNLSA-N 366.215 2.540 0 50 FFAA Cc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 247947729 IRSVIKGEUYZSRX-UXHICEINSA-N 352.482 2.705 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2scnc2C)(c2ccccc2)CC1 847444917 MXNVJTBDJJWDRZ-UHFFFAOYSA-N 369.490 2.814 0 50 FFAA O=C1N[C@]2(CC[C@H]3C[C@@H]32)C(=O)N1c1cccc(I)c1 1875290969 KHULPUJWOOJHID-PSEJXSGSSA-N 368.174 2.516 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc2c([nH]1)CCC2 1875268719 VRXOJOQZVNDPJB-AWEZNQCLSA-N 361.804 2.831 0 50 FFAA Cc1ncc(C(=O)N2C[C@H]3[C@@H](Nc4nc5ccc(F)cc5o4)C[C@H]3C2)o1 1875332477 UGFUTGRQXWKMTN-SUHUHFCYSA-N 356.357 2.836 0 50 FFAA C[C@H](C(=O)N1CCC[C@]2(C(=O)O)COC[C@@H]12)c1ccccc1C(F)(F)F 1875307015 UCZQMCOTMOWLEO-KHIZAZIESA-N 371.355 2.901 0 50 FFAA CN(C)S(=O)(=O)c1ccc(SCc2ccccc2)c(C(=O)O)c1 13190433 OFZWJOLUYXTWBB-UHFFFAOYSA-N 351.449 2.927 0 50 FFAA O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cnc2cccnc2c1 2325766402 DPWAAIXJCOZYJE-UHFFFAOYSA-N 362.433 2.839 0 50 FFAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1 2325785478 ARSOFIMHMHGENB-ZTFGCOKTSA-N 371.872 2.652 0 50 FFAA COc1ccc(-c2cc(N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)ncn2)cc1 2325785583 FIVUDYZDAYHZDW-GDIGMMSISA-N 365.437 2.600 0 50 FFAA Cc1cccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC2=O)c1 2325868031 MKCCJKIEJDNPLW-SFTDATJTSA-N 358.441 2.917 0 50 FFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1Cl 693317 SMWDTUKTAAWMLN-UHFFFAOYSA-N 366.859 2.811 0 50 FFAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 758748 AIHBXYIYQKPUFF-JQWIXIFHSA-N 363.266 2.864 0 50 FFAA COc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)O)c2)c(OC)c1 991837 RLBGPXYBYYAOPZ-UHFFFAOYSA-N 372.377 2.759 0 50 FFAA Cc1nc(N)nc(-c2cc(Br)cc(Br)c2O)n1 1419193 JSFFAABHJHRVOR-UHFFFAOYSA-N 360.009 2.660 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccc(Cl)c(F)c2)C1=O 2356166354 UOQBBKHDJXWABF-SFHVURJKSA-N 368.836 2.723 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1Nc1ncc2c(n1)CCCC2 2356168733 CVODXGDBQOOATM-KFKAGJAMSA-N 372.513 2.964 0 50 FFAA COc1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1OC 3480718 KXHHEGCWRNRAQA-UHFFFAOYSA-N 354.450 2.985 0 50 FFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 6672385 SEKJDTGWLAYWFS-UHFFFAOYSA-N 355.799 2.936 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@@H]3COc4ccccc43)CC2)cs1 109264260 MXCHEAMCTBIDKW-QGZVFWFLSA-N 357.479 2.913 0 50 FFAA C[C@@H](O)CN1CCN(Cc2c(F)cccc2OC(F)(F)F)[C@H](C)C1 225806987 YURAQBYVEDEGGA-VXGBXAGGSA-N 350.356 2.611 0 50 FFAA CCN1CCN(Cc2nc(-c3cccc(OC)c3OC)oc2C)[C@@H](C)C1=O 55131310 YATCLWDTOHQDMX-ZDUSSCGKSA-N 373.453 2.720 0 50 FFAA Cc1n[nH]c(C)c1CCNC(=O)c1cc(CN(C)Cc2ccccc2)on1 67713317 FYOQWPXXEIXRKQ-UHFFFAOYSA-N 367.453 2.619 0 50 FFAA CC(C)c1cc(Cn2nc([C@H]3CCCNC3)n(-c3ccccc3)c2=O)on1 67784483 LSRIIPMOGCODSE-HNNXBMFYSA-N 367.453 2.661 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCO[C@H](Cc2ccccc2)C1 20542680 SPNPLUNMXCCMJC-QGZVFWFLSA-N 361.463 2.636 0 50 FFAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1C 248877301 WDOQCISRVZCTPF-JDFRZJQESA-N 350.846 2.860 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CNC(=O)CC(C)(C)C)C1 117273853 GEKLXSAJKHXQCQ-MRXNPFEDSA-N 363.477 2.772 0 50 FFAA CSc1nnc(CC2CCN(Cc3ccccc3C(=O)O)CC2)n1C 65385968 WYZIJLRLGHJCQZ-UHFFFAOYSA-N 360.483 2.690 0 50 FFAA Cc1ccc(S(=O)(=O)CCNCC(=O)Nc2ccc(C)cc2C)cc1 65425501 AZYNIRHQWHVJEB-UHFFFAOYSA-N 360.479 2.614 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cc1 113303386 WDANKXHHYVDEBL-GOSISDBHSA-N 372.490 2.750 0 50 FFAA CC(=O)NCCc1cn(Cc2nc(-c3cc(F)cc(F)c3)oc2C)cn1 67491035 VFGSSBTUOABEDV-UHFFFAOYSA-N 360.364 2.852 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2c[nH]cn2)C1 12305140 YQPHUHRVPUBZPK-LJQANCHMSA-N 359.401 2.577 0 50 FFAA CCC1=NO[C@@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)C1 67847110 HVFHQOUZHAKFRB-LJQANCHMSA-N 364.449 2.815 0 50 FFAA Cc1cc(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c2ccccc2n1 1015909 MLAXVTIKQNRPAV-MRXNPFEDSA-N 355.291 2.964 0 50 FFAA O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CC[C@@H](c2ccccc2)C1 121693812 ZTJJWRTXOVDFKQ-LJQANCHMSA-N 355.482 2.930 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328627096 FVEYGONIULECIL-OAHLLOKOSA-N 369.469 2.658 0 50 FFAA Cn1nc(-c2nccn2C[C@@H]2CCS(=O)(=O)C2)c2c(Cl)cccc21 71764626 ZGKYUEZHEMFGAY-NSHDSACASA-N 364.858 2.525 0 50 FFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(CC2CCNCC2)c1 72128106 ZBADVNAKPRGGSM-LEWJYISDSA-N 350.462 2.617 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 77564949 QKYXANINGSWEAC-OAHLLOKOSA-N 367.536 2.903 0 50 FFAA CCc1nc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)s1 489010013 VDLWVYWNBHVZNR-UHFFFAOYSA-N 356.425 2.522 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nn1 72431128 LKMSAYMJGYVHES-HXUWFJFHSA-N 351.454 2.589 0 50 FFAA Fc1cc2ncnc(N3CCC[C@H](c4nnc5n4CCC5)C3)c2cc1F 172757807 ILMWHHGFVQUASZ-NSHDSACASA-N 356.380 2.830 0 50 FFAA COCCCN1CCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)CC1 215280104 OTCMITLEGQEWDO-UHFFFAOYSA-N 361.873 2.991 0 50 FFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(c3nc(C(N)=O)cs3)C2)cc1C 71747498 OVJKZFGICZKGPV-CYBMUJFWSA-N 373.478 2.967 0 50 FFAA CCc1nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1 72126431 GVTAPQYXUZGKFM-LLVKDONJSA-N 359.455 2.502 0 50 FFAA CCNC(=O)[C@H]1CCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 71748217 QKBNIJFEPXBRJB-ZDUSSCGKSA-N 361.417 2.756 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1csc(-c3ccccc3)n1)C2 72126658 SDCOCUHAMGWQJT-APWZRJJASA-N 357.479 2.839 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)cc1 238121062 LWCNKCFUTBDZSD-GOSISDBHSA-N 356.397 2.805 0 50 FFAA CCOc1ccc(CC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)cc1 72426321 BHSURDMIXCQCHO-KRWDZBQOSA-N 360.498 2.587 0 50 FFAA COc1ccccc1C(=O)N1CCN(Cc2c(C)nc3sccn23)CC1 72147187 JPNBASQYHXYRQT-UHFFFAOYSA-N 370.478 2.671 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 237563968 KOKLVSYDACKESU-LLVKDONJSA-N 360.332 2.505 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)NCc2sc3ccccc3c2Cl)C1 426406380 ZUHFPDBBAOSQDN-JTQLQIEISA-N 351.859 2.962 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2cc[nH]c2C)CC1 82125992 DQNGOMQGNWJCKM-UHFFFAOYSA-N 370.501 2.550 0 50 FFAA COC1(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 291158750 KCZCJSASJFUNFM-LJQANCHMSA-N 360.498 2.601 0 50 FFAA O=C(NC[C@H](CO)Cc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1 97528067 IDPSQCPRKSUWNU-GFCCVEGCSA-N 359.426 2.858 0 50 FFAA Cc1ccc2nc(COCC(=O)NCCSc3ccccn3)[nH]c2c1 97823179 UFCSCWNITCTPFP-UHFFFAOYSA-N 356.451 2.691 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)c3ccnnc3)CC2)cc1 95523170 PWNJKLVWMOIGDQ-UHFFFAOYSA-N 368.481 2.512 0 50 FFAA CCCC[C@H]1C=CCN1C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95390808 KDGGWIBCOGVAHI-KRWDZBQOSA-N 368.481 2.981 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N1CC(Oc2cccc(Cl)c2)C1 95518511 JWQIMRNDWLLIJW-UHFFFAOYSA-N 362.857 2.722 0 50 FFAA Cc1cccc([C@@H](C(=O)NCc2csc(N3CCCC3)n2)N(C)C)c1 95383065 JBWGQEXPEPLVHJ-KRWDZBQOSA-N 358.511 2.971 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)no1 91441002 BJPQWSINDCPCHG-KRWDZBQOSA-N 366.421 2.872 0 50 FFAA COc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1Cn1cncn1 97522066 WJZKCSMXBRQFAT-UHFFFAOYSA-N 374.448 2.811 0 50 FFAA Nc1nc2c(s1)CN(C(=O)COc1ccc(Cl)cc1Cl)CC2 91820370 WMHTZGMORQGPBG-UHFFFAOYSA-N 358.250 2.996 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)NCc3cc(CC(C)C)on3)c2)n1 95516501 FSAZPNUVYWBUOL-UHFFFAOYSA-N 369.429 2.868 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)n2C 95510792 UIDWKBUJDLYTKY-INIZCTEOSA-N 370.380 2.752 0 50 FFAA CCc1nc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)no1 243932729 BYRXOYTZJCPYFB-GOSISDBHSA-N 360.433 2.957 0 50 FFAA O=C1C[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)C1CC1 180684836 FPSRQMVUSCRORK-JOCHJYFZSA-N 366.461 2.563 0 50 FFAA CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CC[C@@H](O)C[C@]12O 257349806 RMEYJLMWLPURJQ-GRPNHFIBSA-N 364.482 2.616 0 50 FFAA COCc1cc(CNC(=O)c2ccc(-c3cccc([C@@H](C)O)n3)cc2)[nH]n1 534653117 LQGFREQQQPNQRT-CYBMUJFWSA-N 366.421 2.601 0 50 FFAA COc1ccnc(N2CCCN(C(=O)CCCc3cccs3)CC2)n1 363629492 ZTQHLOXZFCQXRB-UHFFFAOYSA-N 360.483 2.608 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)[C@@]1(c3cccs3)CC1(C)C)C2 299779076 UBLBFSYSYRKLEE-IBGZPJMESA-N 359.495 2.709 0 50 FFAA O=C(Cn1nc2ccccc2n1)Nc1ccccc1OC[C@@H]1CCCO1 828075398 PUFFIGORURNOKZ-AWEZNQCLSA-N 352.394 2.628 0 50 FFAA COc1cc2c(cc1NC(=O)c1ccc3c(c1)CCC(=O)N3)NC(=O)CC2 274319613 KAZBIPLMSVFNEP-UHFFFAOYSA-N 365.389 2.717 0 50 FFAA C[C@H](SCc1nc(C(F)(F)F)cc(=O)[nH]1)C(=O)NC1CCCCC1 170620294 SVIGJABVFBNOMO-VIFPVBQESA-N 363.405 2.859 0 50 FFAA CSCc1cccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 189498997 UAGJQOLRPHYGDV-MJGOQNOKSA-N 369.490 2.780 0 50 FFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N[C@H]2CCCCNC2=O)c1C 1506425520 PRCLRFJZTJAECD-HNNXBMFYSA-N 352.500 2.548 0 50 FFAA COc1ccccc1CC(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529189348 NAKANJLJXYZSOU-WOJBJXKFSA-N 366.461 2.522 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)CC[C@H](C)N2CCOCC2)c1 1529092520 UMDBSZZDLZPRPB-SFHVURJKSA-N 370.497 2.988 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CN(CCCOc2ccccc2)CC[C@@H]1O 1704344168 PQAWKHPBAOSKCU-UNMCSNQZSA-N 369.461 2.836 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCOc1ccccc1)C2 219827978 HJWOHLXEBHQDTN-MSOLQXFVSA-N 356.466 2.871 0 50 FFAA O=C(Cc1cccs1)N1CCCN(C2CSCCSC2)CC1 1775983223 UKRJKYXUSOLHKD-UHFFFAOYSA-N 356.582 2.674 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 5388839 ORPGDOLTMZZRIS-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@H]3C(=O)NCc2cccs2)cnn1C 11981304 IDJHSZWQTXDHLA-KRWDZBQOSA-N 358.511 2.709 0 50 FFAA CC(C)NC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 12138801 AVTDAUUBTBGWCF-UHFFFAOYSA-N 355.463 2.881 0 50 FFAA Cc1ccccc1Cn1cc(C(=O)N2CCC[C@H](CN3CCCC3)C2)nn1 12227186 IQPPKEAJYKVRRT-GOSISDBHSA-N 367.497 2.583 0 50 FFAA O=C(CCCN1CCCCC1=O)N[C@H]1CCCN(CC2CCCCC2)C1 12387578 OTZPKADPFPKUKQ-IBGZPJMESA-N 363.546 2.940 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccsc1)C2 14747071 GIEPXQJVDLPDOK-HNNXBMFYSA-N 358.511 2.848 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CN1CCOC1=O 15069227 VYTMPOOMQWFBIJ-UHFFFAOYSA-N 355.394 2.559 0 50 FFAA COc1ccccc1-c1cc(C(=O)N[C@@H]2CCCc3c2c(C)nn3C)n[nH]1 1857684567 SRMXWBNXHLVULE-CQSZACIVSA-N 365.437 2.935 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)C1Cc2ccccc2C1 1857687656 YHEDRMXUDCWKPD-FDFHNCONSA-N 362.473 2.732 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)CCc3nc4ccccc4s3)CCN12 1857739210 MTNFXOOVFGDSTP-JKSUJKDBSA-N 373.522 2.941 0 50 FFAA O=C(CCCCc1cccnc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875246813 AZLXISHIPWZUQY-FPOVZHCZSA-N 354.450 2.755 0 50 FFAA C1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 3896104 BBGKDYHZQOSNMU-JVSBHGNQSA-N 372.502 2.722 0 50 FFAA in-vitro CC(C)c1nnc([C@H]2CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)CCO2)o1 328613774 UDAZUHYXRPQPGT-QLFBSQMISA-N 351.447 2.688 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)ccc2O1 328864886 WFYJHYURISLDSG-MJGOQNOKSA-N 363.479 2.732 0 50 FFAA CCN(C[C@@H](C)OC)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 462867562 JUCJYHDURBYLRQ-SNVBAGLBSA-N 359.348 2.801 0 50 FFAA C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@H](c3cccs3)C2)NC1=O 162184692 RNBUURDFAUTLNQ-RISCZKNCSA-N 358.419 2.681 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c(c3)OCO4)C1)CC2 1704305440 QLPJGINZURPRMY-HXUWFJFHSA-N 351.406 2.634 0 50 FFAA O=C(c1cccc(-n2cncn2)n1)N1CCC[C@H](c2ccc(F)c(O)c2)C1 1875299192 CDZVDEFRKAFUSH-AWEZNQCLSA-N 367.384 2.527 0 50 FFAA NC[C@H]1[C@@H]2CN(C(=O)Nc3ccc(OCc4ccccn4)c(Cl)c3)C[C@H]12 1875283662 ZHFFODWVFLDDPM-PHZGNYQRSA-N 372.856 2.982 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(OCc3cccnc3)cc2)cn1 1875381892 KGSMQUPOPHCRDC-UUOWRZLLSA-N 350.422 2.657 0 50 FFAA COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(F)c1 888098959 NYPLACAPVVOCEF-WWYBLAPGSA-N 350.478 2.965 0 50 FFAA O=C1C[C@@H](Sc2nnnn2C2CCCCC2)C(=O)N1c1ccccc1 1059108 JRUHCKDTQXYWJG-CQSZACIVSA-N 357.439 2.603 0 50 FFAA COc1ccccc1N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 39404586 BYHSTTLMPTUPMY-VQHVLOKHSA-N 366.417 2.786 0 50 FFAA CNC(=O)c1ccc(CCNC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1 2325761332 YWBZSDDAFKMOBK-GOSISDBHSA-N 354.475 2.730 0 50 FFAA Cc1cccc2c(C(=O)N[C@H]3CCCc4c3cnn4CCO)nccc12 2325769881 HIFMPQATUZHVGY-KRWDZBQOSA-N 350.422 2.539 0 50 FFAA Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccnn2C)cc1 20616337 MULVTKABDCSJBL-UHFFFAOYSA-N 354.410 2.876 0 50 FFAA O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789606 DSFNAQGTCQBCCW-UHFFFAOYSA-N 350.484 2.536 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)Nc1ccccc1 1062225 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O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101688777 UQOWUHPCQYIXHT-SOUVJXGZSA-N 369.852 2.892 0 50 FFAA CS(=O)(=O)Cc1ccc(NC(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1F 225433820 ZLDSWYFCSFIQCH-CHPZLBCBSA-N 352.431 2.536 0 50 FFAA CC(=O)Nc1nc(CN2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cs1 111695894 GPIYLMRSFRWGAG-TXEJJXNPSA-N 368.503 2.931 0 50 FFAA CC(C)(C)c1nnc2ccc(NC[C@@H]3CCN(c4ccccc4F)C3)nn12 461886669 CDFPKMKBXLWPSG-AWEZNQCLSA-N 368.460 3.499 0 50 FFAA C[C@H](C(=O)NCc1nc(Cc2ccccc2)no1)n1cnc2ccccc21 115989469 HXRWBSGCQVBNSB-CQSZACIVSA-N 361.405 2.888 0 50 FFAA COC[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3)CC2)C1 172255730 CZOQPGBMTGKFNP-HXUWFJFHSA-N 359.514 2.967 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)Cc1n[nH]c3c1CCCC3)cn2C 67982994 MKOFZTJSXCWDEK-UHFFFAOYSA-N 364.449 2.721 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 119153291 FNKJQCDXGAIWHJ-IKGGRYGDSA-N 359.532 2.929 0 50 FFAA Cc1noc([C@H](C)N(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)n1 67562250 POECXEMBXHCYRZ-JTQLQIEISA-N 359.361 2.652 0 50 FFAA Cc1nc(NC[C@H]2Cc3ccccc3CN2C)cc(C2CCNCC2)n1 67654187 MLCPDNKAEXJBPX-LJQANCHMSA-N 351.498 2.721 0 50 FFAA Cc1nc2nnc3c(=O)n(-c4ccc(Oc5ccccc5)cc4)ccc3n2n1 67631234 YFIUTZRDXHWBCE-UHFFFAOYSA-N 370.372 2.924 0 50 FFAA O=C(CCOCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 119466198 YYPYAIUWMLMLNW-UHFFFAOYSA-N 370.424 2.717 0 50 FFAA COC(=O)c1ccc2c(c1)nc(N1Cc3cnc(C(C)(C)C)nc3C1)n2C 67605079 VYPNSKVWXKCGRS-UHFFFAOYSA-N 365.437 2.968 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)[C@H]3C(=O)O)cc2)co1 424364710 FCOSKRFRCVFBHK-ZBEGNZNMSA-N 364.423 2.524 0 50 FFAA CCCN(CCO)C(=O)c1cc(COc2ccc3ncccc3c2)on1 67880378 RSSLYJFGBRPPRE-UHFFFAOYSA-N 355.394 2.646 0 50 FFAA CCC(=O)[C@H]1CCCCN1C(=O)Cc1c(C)nn(CC(F)(F)F)c1C 331053235 NCVCYWSSUPBSQS-CQSZACIVSA-N 359.392 2.965 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1217254 RWPIAFAGHGNMKZ-UHFFFAOYSA-N 367.814 2.809 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cnn(C)c3)cn2)cc1 2808713 WNVHHOVWEHDJIW-UHFFFAOYSA-N 351.439 2.510 0 50 FFAA CCc1nc2nnc3c(=O)n(-c4cc(Cl)ccc4Cl)ccc3n2n1 71754928 KXABTGNORRYGHJ-UHFFFAOYSA-N 361.192 2.693 0 50 FFAA CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 4764534 RWQCKACYKKSOKK-CQSZACIVSA-N 366.414 2.671 0 50 FFAA biogenic CC(=O)Nc1ccsc1C(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 72150042 NZVNSRMFALOOJQ-AWEZNQCLSA-N 371.462 2.510 0 50 FFAA CC(C)[C@H](NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)O 38494369 NSXSCTCKWRSTHJ-KRWDZBQOSA-N 351.410 2.733 0 50 FFAA in-vitro CN(Cc1cnc2ncccn12)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328650261 VMGDYTRTGONBKT-GFCCVEGCSA-N 364.375 2.639 0 50 FFAA CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc([S@@](C)=O)cc1)CC2 332589593 LHCBSEWQZOFELV-SGANQWHYSA-N 360.483 2.880 0 50 FFAA CO[C@H](C)CNC(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 417282269 AAEZNMSMWUZQOX-SECBINFHSA-N 374.388 3.304 0 50 FFAA O=C([C@@H]1CCc2cn[nH]c2C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 156626204 ZUVLGZWFWRBMQT-PBHICJAKSA-N 362.437 2.663 0 50 FFAA Cc1n[nH]cc1C1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)CC1 375914406 PLJVWTOUYCKRCW-UHFFFAOYSA-N 367.453 2.658 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)[C@H](C)C2)n[nH]1 457283652 MCQPUNUKOBJAFG-OAHLLOKOSA-N 362.433 2.858 0 50 FFAA CCCc1ncncc1C(=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72152527 HIGUOGVFQOGQCM-FQEVSTJZSA-N 350.422 2.555 0 50 FFAA O=C(CC1(C(=O)O)CCCCCC1)N[C@@H]1CCN(c2ncccc2F)C1 237914452 SHOAPUFNTIAQPG-CQSZACIVSA-N 363.433 2.731 0 50 FFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)C3CCC(OC)CC3)CC[C@H]21 72438808 BPWPCUNWEMXZCX-JYSRZZCRSA-N 350.503 2.831 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 215139204 BNBULNYMSMXYST-FQEVSTJZSA-N 365.481 2.611 0 50 FFAA Cc1nc(S)sc1CC(=O)Nc1cncc(Br)c1O 129703983 GMGMVNUOCCYEJK-UHFFFAOYSA-N 360.258 2.785 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1C 76857451 KMXZCAILVLXBJN-LJQANCHMSA-N 374.504 2.728 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 219146776 NAJVXMQQMKZYHN-JSGCOSHPSA-N 355.381 2.535 0 50 FFAA CCOc1ccc(-c2ccnc(NCc3cc(C)nn3C)n2)cc1C(=O)O 77470196 NYVNOYCMNTVNCW-UHFFFAOYSA-N 367.409 2.895 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C2 72134400 JZHHGCOVTAUCCX-UHFFFAOYSA-N 371.746 2.949 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3ccc(CO)o3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72138663 MUGPHYYBIIQPSU-CEWLAPEOSA-N 366.461 2.783 0 50 FFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CC[C@H]1CC[C@@H](C)O1 175234555 CTUJJJUMRCXQGK-IJEWVQPXSA-N 353.484 2.957 0 50 FFAA CCOC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20405609 ISKRQPAIKLFNLS-MRVPVSSYSA-N 351.712 2.874 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)cc1 178810840 MCJKXQOOEISFTG-OKZBNKHCSA-N 356.447 2.940 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(CCC(=O)NC3CCCCC3)CC2=O)cc1 91769229 RMSPRWVHSMPWKJ-QGZVFWFLSA-N 357.498 2.871 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)Cc1cnc(N2CCOCC2)s1 97675428 RQRKDIFTPQCDPD-UHFFFAOYSA-N 363.487 2.652 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 97156048 SEKKRKHXDICJTA-HNNXBMFYSA-N 351.454 2.919 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C/C=C/c1ccccc1)CCO)C2 92028194 JVNPHMKBRJVTRA-MEQKGCOVSA-N 367.445 2.781 0 50 FFAA O=C(CCCc1nc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1 96179809 PXYWNMOHTVATIW-INIZCTEOSA-N 373.478 2.721 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4Cl)C(=O)[C@H]13)O2 239025361 BMUQWGQUKLMRNI-JEWRLFTDSA-N 361.825 2.970 0 50 FFAA O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)N1CCOCC1 95504877 ALTUXTCOOKMYAC-UHFFFAOYSA-N 351.834 2.830 0 50 FFAA COc1ccc(NC(=O)NCC2=CCCCC2)cc1NS(C)(=O)=O 96139611 NWVNVXHLJBXXHS-UHFFFAOYSA-N 353.444 2.689 0 50 FFAA Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)C(C)(C)N)CC2=O)cc1 91452465 FSWNYJATAYFRIN-IBGZPJMESA-N 365.477 2.519 0 50 FFAA Cc1ccccc1[C@H](c1nc(Cc2cccs2)nn1CCO)N(C)C 96131880 AKZYVJKKJMFXAP-GOSISDBHSA-N 356.495 2.882 0 50 FFAA Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91986141 PTQBYPNGPXICAK-DOTOQJQBSA-N 374.510 2.804 0 50 FFAA CCCNC(=O)CN1CCC(Nc2ncc(Br)cc2C)CC1 267572868 GLZXIIKBYFPPDR-UHFFFAOYSA-N 369.307 2.555 0 50 FFAA CCc1noc(-c2ccc(NC(=O)N[C@H](COC)c3ccnn3C)cc2)n1 96166244 QPAXNNAPKOJWJQ-CQSZACIVSA-N 370.413 2.542 0 50 FFAA Cc1ccnc(-n2nc(C)nc2[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 97831132 AIUBDYDDRFQPQQ-AWEZNQCLSA-N 371.466 2.806 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(C)Cc3ccccc32)c(C)c1F 181344581 ULJVYVQQFWAYQX-UHFFFAOYSA-N 364.442 2.783 0 50 FFAA CSCc1noc(CN2CCN(c3nsc4ccccc34)CC2)n1 244712752 KWLJISPEUAOEGA-UHFFFAOYSA-N 361.496 2.865 0 50 FFAA CN(CCC(=O)O)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 299750613 OBUGRWSHDXYJNH-HNNXBMFYSA-N 369.259 2.519 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCOc2ccccc21 299742881 JBHXTLUKQBVRSR-WMZOPIPTSA-N 364.401 2.846 0 50 FFAA C[C@@H](NC(=O)N1CCOC[C@H]1c1nc[nH]n1)c1cc(Cl)ccc1Cl 298431691 SIUQVRDCRIHJBC-RNCFNFMXSA-N 370.240 2.956 0 50 FFAA C[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1cnn(-c2ccc(F)cc2)c1 534587384 JPLJNKZYTDXIBV-HNNXBMFYSA-N 371.460 2.952 0 50 FFAA C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H](O)c1ccccc1 534634112 BNSVSLIYXFJMQN-VDGAXYAQSA-N 353.466 2.682 0 50 FFAA N=c1cc[nH]c(-c2ccc(C(=O)N(CC3CCC3)C[C@H]3CCCO3)cc2)n1 534640184 XARAXNHHXWQBMT-GOSISDBHSA-N 366.465 2.977 0 50 FFAA COc1c(C)cc(NC(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1C 299789868 BDERLCXKBFXWJU-UHFFFAOYSA-N 374.529 2.803 0 50 FFAA NCCCOc1ccc(C(=O)NC2(CO)CCCCCC2)cc1Cl 299767367 RDVWBCKDWNALDC-UHFFFAOYSA-N 354.878 2.883 0 50 FFAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(-c2cnc3ncnn3c2)c1 584890384 HZJMTJIMKJVZEK-SFHVURJKSA-N 365.437 2.823 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)NCCCSc1ccc(Cl)cc1 584885239 WJATWWKITXDSKT-AWEZNQCLSA-N 355.891 2.742 0 50 FFAA CCc1nc(CN(C)C(=O)NC[C@H]2CCCN(C3CCCCC3)C2)no1 670445293 NDTJCAJCRJVZIN-OAHLLOKOSA-N 363.506 2.818 0 50 FFAA Cc1nc(C)c(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)o1 952985213 FCQPFYKIPAFLKO-UHFFFAOYSA-N 356.426 2.968 0 50 FFAA Cc1ccc(OC2CN(C3CCN(C(=O)c4cccnc4)CC3)C2)cc1 952977305 PZMQHBVHALUGIO-UHFFFAOYSA-N 351.450 2.758 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 952988501 MICQIPCVHFKRIY-IBGZPJMESA-N 373.497 2.654 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2c(c1)CCC2 1565516932 LQBJONZTUOBCTE-PMACEKPBSA-N 352.434 2.674 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565527128 DNQNFAVNNALFEJ-MJGOQNOKSA-N 370.522 2.992 0 50 FFAA O=C(CSc1ccccn1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565527446 CGUVHWDGJBUFIF-IRXDYDNUSA-N 358.463 2.664 0 50 FFAA COc1cc(C(=O)N2CC[C@H](C(=O)O)C2)cc(Cl)c1OCC(C)C 269174685 JEBUUDZUWCXUOB-NSHDSACASA-N 355.818 2.930 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCC1(c2ccccn2)CC1 170598377 AENRSWNZIVQOHW-UHFFFAOYSA-N 366.387 2.848 0 50 FFAA CC(=O)N1CCN(Cc2ccccc2NCc2noc(C(C)(C)C)n2)CC1 187524674 LFUJQEHDJAERHD-UHFFFAOYSA-N 371.485 2.643 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1 864912151 ZJSMNXGJNSZEPP-UHFFFAOYSA-N 364.449 2.601 0 50 FFAA Cc1cc(N2CC(Oc3c(C)cccc3C)C2)nc(N2CCOCC2)n1 1529196614 CLRJSTOTEATVIM-UHFFFAOYSA-N 354.454 2.506 0 50 FFAA COc1ccc(Cc2nc(-c3nn(C)cc3Cl)n([C@@H]3CCOC3)n2)cc1 1772816980 ZTGKWQURDZTPCN-CYBMUJFWSA-N 373.844 2.893 0 50 FFAA Cn1ccc(C2CCN([C@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1=O 1772808989 HYVZPISZHSCFFH-FQEVSTJZSA-N 355.457 2.983 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772709784 MLZJTBYVCNGFQG-VGSWGCGISA-N 360.461 2.857 0 50 FFAA CCn1nc(C)c(CN2CCCN(C(=O)Cc3cccs3)CC2)c1C 1775978634 AYVOYDOCDGFHHD-UHFFFAOYSA-N 360.527 2.858 0 50 FFAA Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 12003755 ZSZWWUDOVFPDKN-AWEZNQCLSA-N 372.446 2.868 0 50 FFAA CCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 12453895 CUIMMPIUAAGGGK-LJQANCHMSA-N 371.525 2.806 0 50 FFAA Cn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1 12458899 MDPPLIHLIRGEAI-UHFFFAOYSA-N 356.474 2.582 0 50 FFAA COc1cccc(OC)c1-c1cnnc(N(CCO)Cc2ccccc2)n1 12589257 CLHBQHLICQPBPD-UHFFFAOYSA-N 366.421 2.555 0 50 FFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC 14745922 RZWFEMBTBVPTPS-QGZVFWFLSA-N 372.513 2.931 0 50 FFAA O=C1CCN(C(=O)c2cccc3ccccc23)CCN1CCN1CCCC1 14974258 HHOTYESYKFMYCX-UHFFFAOYSA-N 365.477 2.610 0 50 FFAA CCC1(CC)CCN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1 1857532923 SLXVKUNEFMANKK-QGZVFWFLSA-N 373.545 2.886 0 50 FFAA CC[C@@]1(C(=O)NCC2CCOCC2)C[C@@H]2CC[C@H]1N2C(=O)c1ccoc1 1857700212 CYVQKOPDTNVUBG-SQGPQFPESA-N 360.454 2.596 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3cnccn3)C[C@]23CC[C@H]1O3)C1CCCCCC1 1857719598 QIECEWJUQOTCFJ-XKGFGPFHSA-N 370.497 2.547 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1 1857732727 CXXAFMCRDLIBAH-NQIIRXRSSA-N 366.465 2.617 0 50 FFAA Cc1ccccc1[C@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)C1 408388777 XBYAXDLWDVFSCQ-OLZOCXBDSA-N 353.875 2.949 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1cccnc1 1875254722 FFQNWDBWQZXWFD-KSSFIOAISA-N 355.486 2.664 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@H](N2CCCC2)C1 153323338 ZFLMXHMKUNHICH-HNNXBMFYSA-N 357.483 2.585 0 50 FFAA Cc1c(Br)cccc1C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 262088094 LGWZKOGTWFIXDD-OLZOCXBDSA-N 352.228 2.940 0 50 FFAA Cc1nc(C)n([C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)n1 377339442 JWTSYKUVIQDJCN-MRXNPFEDSA-N 368.890 2.715 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nnnn1C1CC1 267076062 FLHWNYBEPXETAO-CYBMUJFWSA-N 354.458 2.801 0 50 FFAA CC1(c2ncc(C(=O)N=[S@]3(=O)CCc4ccccc43)s2)OCCO1 926037653 PTDXWYZTDIMDIX-DEOSSOPVSA-N 364.448 2.586 0 50 FFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CC[C@@H]2[C@H](C1)C2(F)F 1851103274 DPTVPMNIDQCZPQ-KGLIPLIRSA-N 359.376 2.808 0 50 FFAA COc1ccc(CN[C@@H](CCc2ccncc2)C(=O)O)cc1OC(F)F 1875279299 OEACXNCUFHXBSE-AWEZNQCLSA-N 366.364 2.867 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)o1 1875394543 MIDCXSHPHWGWIO-KGLIPLIRSA-N 360.458 2.537 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCc3ccc4c(c3)cc(C)n4C)[C@@H]2C1 1875304098 ZVXQGZSXSXDIFV-DDBAPUKQSA-N 369.465 2.874 0 50 FFAA CCn1nc2c(c1C(=O)NCc1cn3ccccc3n1)C[C@H](C)O[C@@H]2C 1875314150 JSJNGNRKOVXTOP-QWHCGFSZSA-N 353.426 2.503 0 50 FFAA CCOc1cc(COC(=O)c2n[nH]c(C)c2C)c(Br)cn1 1875357762 VWOFRCGFFFBLQD-UHFFFAOYSA-N 354.204 2.940 0 50 FFAA Cc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)s1 1875323110 XJXRPUBBNZAETE-UHFFFAOYSA-N 364.492 2.852 0 50 FFAA N[C@@H]1CCCN(C(=O)NCCc2c(C(F)(F)F)[nH]c3ccccc23)C1 892350957 VMEAXNPPVWDSKW-LLVKDONJSA-N 354.376 2.862 0 50 FFAA O=C(N[C@@H]1c2ccccc2CC1(F)F)[C@H]1CC(=O)N(c2nccs2)C1 2325796541 XCXLSAKQMAJXRX-SMDDNHRTSA-N 363.389 2.545 0 50 FFAA COCc1nn[nH]c1C(=O)Nc1cccc([C@H](C)Sc2nccn2C)c1 2325802910 DVZZRXVTKWWDLI-NSHDSACASA-N 372.454 2.790 0 50 FFAA CN(C)Cc1ccc(NC(=O)c2c[nH]nc2-c2ccn(C)n2)cc1Cl 2325839936 JSUOCUGBVKLOFD-UHFFFAOYSA-N 358.833 2.778 0 50 FFAA C[C@@H]1[C@H](NC(=O)c2ccc3cccnc3c2)CCN1C(=O)CCC(F)F 2325871200 BKKPSRKWHUALNZ-IUODEOHRSA-N 361.392 2.999 0 50 FFAA CN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)C1 2356144702 JHRMKRUYZWCAQT-WOJBJXKFSA-N 354.450 2.750 0 50 FFAA Cc1noc(C)c1Cc1nnc2n1[C@@H](C)C(=O)N(CCc1ccccc1)C2 2356153520 KNTHDMZRYAYAJG-AWEZNQCLSA-N 365.437 2.620 0 50 FFAA COc1ccc(C2(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CCCC2)cc1 2861550 MFKHHHOOQXMZGS-UHFFFAOYSA-N 374.462 2.793 0 50 FFAA COCCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 4697032 ZSXAYMHVBJXGMY-FOWTUZBSSA-N 362.813 2.857 0 50 FFAA Cn1c2ccccc2c2cnn(CC(=O)Nc3ccccc3F)c(=O)c21 6738721 ZLLYXLNXZCRYQJ-UHFFFAOYSA-N 350.353 2.666 0 50 FFAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cc(-c2cnn(C)c2C)[nH]n1 55392930 WRCITSYDLMUNGI-CYBMUJFWSA-N 352.442 2.955 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(=O)[nH]1 55269952 QPMDOQKZFRFNAY-KRWDZBQOSA-N 369.465 2.649 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1C 225834381 QAXKKXYUUNBNEQ-IBGZPJMESA-N 372.490 2.696 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 55851885 OXUMCCLNQXMXCQ-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA C[C@@H](c1ccccc1)N(CCC(=O)O)C(=O)CCC(=O)NC1CCCC1 55404142 OKLWFZAWZWVBED-HNNXBMFYSA-N 360.454 2.890 0 50 FFAA CC[C@H](C)CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 67841928 DYRXHLPMVOIUKV-ZDUSSCGKSA-N 355.398 2.610 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(CC)Cc3ccccc3F)no2)CC1 67920656 PEEFWQQIUCBAJM-UHFFFAOYSA-N 374.460 2.614 0 50 FFAA CCn1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(C)n1 22909964 CXYLORUPXFNFEM-JOCHJYFZSA-N 370.541 2.713 0 50 FFAA CN1CCCC2(CC1)CCN(C(=O)c1ccc(Cn3ccnc3)o1)CC2 67974781 ZKXMKTWOQJODNI-UHFFFAOYSA-N 356.470 2.863 0 50 FFAA O=C(NCc1csc(-c2ccccc2)n1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252515441 KAYXOUPZBXPYEA-DARAHFNDSA-N 354.431 2.949 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3cccc(F)c3)n2)c1 2798683 ZWULSIZOLAOPJN-UHFFFAOYSA-N 356.357 2.735 0 50 FFAA CCC[C@]1(CO)CCCN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 72152749 FNTQDVGAMQJUNH-FQEVSTJZSA-N 366.469 2.804 0 50 FFAA Cc1cccc(O[C@@H](C)C(=O)N(C)c2ncc(Br)cn2)c1 253428184 CESLQYCGPHITCL-NSHDSACASA-N 350.216 2.978 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O 72470205 VEWRZBLPIDVBHA-INIZCTEOSA-N 368.433 2.990 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1ccc2nsnc2c1 215843598 SCJNNDGFIYGUOJ-OAHLLOKOSA-N 370.482 2.704 0 50 FFAA CCN1CC[C@H]2OCCN(C(=O)c3ccc4c(c3)C(C)(C)C(O)=N4)[C@H]2C1 329386536 QLEFENBHGNYZAF-DLBZAZTESA-N 357.454 2.501 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H](O)c1ccccc1Cl 219899750 SQLCMRBFVPYLPW-CYBMUJFWSA-N 361.751 2.714 0 50 FFAA CC(=O)[C@@H]1C[C@H](C(=O)N2CCCN(C(=O)c3ccccc3)CC2)C1(C)C 125914347 IVDVFAJECISBGI-ZWKOTPCHSA-N 356.466 2.612 0 50 FFAA c1cc2c(s1)CCN(Cc1cc3n(n1)CCCN(C1CCOCC1)C3)C2 72156430 STFRTOSXONETQD-UHFFFAOYSA-N 372.538 2.888 0 50 FFAA Cn1nc(C(=O)Nc2ccc(I)cn2)cc1C1CC1 331570270 UXLGQIYXXWNZRE-UHFFFAOYSA-N 368.178 2.549 0 50 FFAA C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 331568347 PQHQRYNTCZNGLV-RDTXWAMCSA-N 374.462 2.660 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCc2nc[nH]c2[C@@H]1C(=O)O 72428606 BSVODFXCSGOWLF-GOSISDBHSA-N 362.389 2.604 0 50 FFAA O=C(NCCc1csc(N2CCCC2)n1)c1cnc(C(F)(F)F)nc1 127208121 ICNIDGUNBUXDNG-UHFFFAOYSA-N 371.388 2.525 0 50 FFAA C[C@H](NC(=O)N1CC[C@@H](c2nccn2C)C1)[C@@H]1OCCc2sccc21 333004512 XMYRGPLXBDXKGL-ZENOOKHLSA-N 360.483 2.683 0 50 FFAA C[C@H](C(=O)N[C@H]1CCC[C@]1(C)CO)n1c(S)nnc1-c1cccs1 241588462 PDKFJIAPHQHNJD-RSAASHCRSA-N 366.512 2.524 0 50 FFAA C[C@@]12CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@H]1C2(F)F 333398939 YKXQYNHZSHBETI-ZYHUDNBSSA-N 367.320 2.674 0 50 FFAA C[C@H](O)[C@H]1CN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)CCO1 333829506 SOUDGTVCHOEYAW-MJDBTJCESA-N 351.472 2.660 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ncccc4C)CC3)[nH]n2)o1 72411119 CTAGRIRMKNBAGY-UHFFFAOYSA-N 365.437 2.640 0 50 FFAA O=C(NCC[C@H]1CCCNC1)c1cnc(-c2ccc3c(c2)OCO3)s1 237887306 OUJNTBHSHCSNIS-GFCCVEGCSA-N 359.451 2.658 0 50 FFAA Cc1c(C(=O)NCc2cccc(N(C)C)n2)[nH]c2c1C(=O)CC(C)(C)C2 129595179 HMXYGISIBPEQDH-UHFFFAOYSA-N 354.454 2.869 0 50 FFAA CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 72165089 CTXUGEJOZQJLCP-SFHVURJKSA-N 361.486 2.938 0 50 FFAA Cn1cnnc1Sc1ccc(-c2nccn2[C@@H]2CCc3[nH]ncc3C2)o1 77375758 ONDZRQKPPCEQLH-GFCCVEGCSA-N 367.438 2.876 0 50 FFAA CN1C[C@]2(CCCN(c3nc(-c4ccccc4)ccc3C(=O)O)C2)OC1=O 72407851 GWUDTPHUMYJEHC-FQEVSTJZSA-N 367.405 2.868 0 50 FFAA Cc1cn2c(=O)cc(CN3CCC[C@@H]3c3nc(C(C)C)no3)nc2s1 77407144 YPNQLOIBDXKFLA-CYBMUJFWSA-N 359.455 2.908 0 50 FFAA COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1OC 378586779 GAWUIBHUZTWPTJ-RYQLBKOJSA-N 360.498 2.968 0 50 FFAA COCc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 285723268 FWMYGUMHZIMHOH-GFCCVEGCSA-N 351.859 2.952 0 50 FFAA O=C1COc2cc(N[C@H]3CCN(c4cccc(Cl)c4)C3=O)ccc2N1 175208958 LZUYDITXAUOCGT-HNNXBMFYSA-N 357.797 2.888 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222301198 TZRZNEXMYRDUKH-QZTJIDSGSA-N 362.401 2.716 0 50 FFAA C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 176685212 YYOPDJSJGMAQSC-IUODEOHRSA-N 374.391 2.658 0 50 FFAA Cc1cc(C(=O)N2CCC(Cc3noc(C)n3)CC2)c2c(C)noc2n1 426658210 KINLAVMPWWWZEE-UHFFFAOYSA-N 355.398 2.626 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC(c2ccn[nH]2)CC1 221437596 ALJDIDJKZDVWQF-UHFFFAOYSA-N 361.829 2.783 0 50 FFAA Cc1c(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)oc2ccccc12 82138718 SOIYTJAOKDADJS-UHFFFAOYSA-N 367.453 2.725 0 50 FFAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1cn2ccsc2n1 91563154 BLLMTSUXZGBHFY-ZDUSSCGKSA-N 364.434 2.784 0 50 FFAA Cc1cc(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1Cl 239046974 GAQNXHHQPKBXGR-PNZLXGSGSA-N 371.820 2.607 0 50 FFAA O=C(NCCSc1cnn[nH]1)c1cccc(CN2CCCCCC2)c1 426690337 RUANHMXQJHNCMI-UHFFFAOYSA-N 359.499 2.703 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 91255796 FYGASYORCHZUOZ-GHTZIAJQSA-N 364.493 2.884 0 50 FFAA COc1cc2c(cc1C(=O)N(C)Cc1nc(-c3ccncc3)no1)CCC2 91487069 HWVZSRYHLBATMY-UHFFFAOYSA-N 364.405 2.901 0 50 FFAA CN1CCC(Cc2nc(-c3n[nH]c4c3CCC4)n(CC(F)(F)F)n2)CC1 95374014 VQKMFHLFIHHCMK-UHFFFAOYSA-N 368.407 2.604 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 97797377 KOADHRYOYHJCON-KRWDZBQOSA-N 355.369 2.522 0 50 FFAA Cc1nc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)cs1 95390946 YNUYODWCCWVVIQ-UHFFFAOYSA-N 361.515 2.620 0 50 FFAA CN(CC(=O)N(C)Cc1cc(-c2ccncc2)no1)Cc1ccc(F)cc1 91645996 HIPAZBYSAIPWLD-UHFFFAOYSA-N 368.412 2.966 0 50 FFAA Cc1ccc(C)c2c(=O)cc(CN3CCC(c4nncn4C)CC3)[nH]c12 91526583 PXXVRFCRRWKFFO-UHFFFAOYSA-N 351.454 2.653 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1ccc(N3CCCC3=O)cc1)CC2 96164745 XZLFZUVCWOUNIL-SFHVURJKSA-N 372.465 2.614 0 50 FFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)no1)CC2 97217385 JKYINAIXIFGXCK-UHFFFAOYSA-N 369.469 2.662 0 50 FFAA COC(=O)c1ccc2c(c1)n(Cc1cncnc1)c(=O)n2C1CCCCC1 95518030 HZYGCFYAAJJNFR-UHFFFAOYSA-N 366.421 2.933 0 50 FFAA COCCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95354423 FXNJGWCQCJLBEG-VMPITWQZSA-N 356.466 2.577 0 50 FFAA COc1ccc2c(c1)nc(CNC(=O)[C@H]1Cc3cc(C)c(C)cc3O1)n2C 184197173 DPSOMEWHOHPPKQ-LJQANCHMSA-N 365.433 2.819 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1CCN(Cc2ccco2)CC1 244883993 YDGDYMGMUKAKFS-MBOZVWFJSA-N 369.465 2.515 0 50 FFAA O=C(O)C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(F)cc1 299745997 UQCAVBSSPFPXIG-INIZCTEOSA-N 373.380 2.862 0 50 FFAA O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1sccc1OC(F)F 183062701 WEVAQFXJXKYCPH-NSHDSACASA-N 367.377 2.670 0 50 FFAA O=C(NCc1ccccc1F)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263617115 MDAONSNODCKQKZ-QGZVFWFLSA-N 370.359 2.758 0 50 FFAA CCOc1cc(C(=O)N(C)C)ccc1NC(=S)Nc1cnn(CC)c1 749830857 WGTUUGTVZFBHQK-UHFFFAOYSA-N 361.471 2.812 0 50 FFAA COc1ccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)cc1 263618561 UIWBNIZLBFECAF-HXUWFJFHSA-N 362.433 2.899 0 50 FFAA Cc1nnc(CCNC(=O)c2cccc(-c3cccc([C@H](C)O)n3)c2)s1 534649839 VVONYSOBQMCGIE-LBPRGKRZSA-N 368.462 2.934 0 50 FFAA CN(C)C(=O)CCc1ccccc1NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 299779374 RMPWXZGBATZXAB-MRXNPFEDSA-N 369.469 2.842 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(F)F)nn2C)c1 824313400 UWORVEIGNZRTPV-UHFFFAOYSA-N 352.341 2.503 0 50 FFAA C[C@H](NC(=O)c1ccccc1-c1nc[nH]n1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 820723386 QPNDIMYTGOLPQU-AHQQAOBSSA-N 366.465 2.921 0 50 FFAA CN(CC1(C)COC1)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 584890258 IUBWIIZBLJSZFQ-UHFFFAOYSA-N 367.440 2.607 0 50 FFAA C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1cccc(-n2cccn2)c1 170010825 YYPNRTHKQAERHH-ADBDHWBDSA-N 351.406 2.572 0 50 FFAA Cc1[nH]c(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c(C)c1C(=O)O 1506423238 WZXGVQHRCPPZNG-OAHLLOKOSA-N 357.410 2.546 0 50 FFAA COc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cc1Cl 1506421895 NBFVZZZMOKJIKK-HNNXBMFYSA-N 373.840 2.665 0 50 FFAA NC(=O)C1CCC(NC(=O)c2cc(Cl)ccc2Br)CC1 220947737 DKGGXBUMHGBHLN-UHFFFAOYSA-N 359.651 2.876 0 50 FFAA Cn1ncc2c(N)nc(NCC[C@H]3CCCCN3Cc3ccccc3)nc21 1529197951 ZRWSVEJEQRXDQU-MRXNPFEDSA-N 365.485 2.802 0 50 FFAA OC1CCN(c2cc(N[C@H]3CCCN(Cc4cccs4)C3)ncn2)CC1 1529100303 QEUHCYNFISOEMA-HNNXBMFYSA-N 373.526 2.576 0 50 FFAA COc1cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)ccc1OC(C)C 1529177462 AAKBIENZROWUGM-IXDOHACOSA-N 374.481 2.811 0 50 FFAA CC(C)N1C[C@@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)CCC1=O 1775981161 APZIYGGJKHRYNP-MRXNPFEDSA-N 370.497 2.532 0 50 FFAA COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 5559985 FCSZUUKFQYONJV-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1cccnc1 12072333 VDVOJFMSNNOKHE-SFHVURJKSA-N 361.405 2.511 0 50 FFAA CN1CCN(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 14554109 QYKRNNMRAXVIIQ-UHFFFAOYSA-N 357.841 2.980 0 50 FFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2C 14748407 PYRMANWWAYOSIH-INIZCTEOSA-N 358.486 2.541 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 16580625 KREMXBSVUAKXGF-QGZVFWFLSA-N 360.435 2.913 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1 16727846 OBVVGGCHUVRHQI-UHFFFAOYSA-N 356.447 2.524 0 50 FFAA CC(C)(C)c1csc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)n1 169772640 QCYASYXEOKYAHW-GFCCVEGCSA-N 372.450 2.520 0 50 FFAA Cc1ccc(C)c(CN2C[C@@H]3[C@H](CNC(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)c1 1857737457 NAORPFSKMGMPJW-GPQLQYNLSA-N 354.494 2.809 0 50 FFAA NC(=O)c1cccc(CNC(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 363491457 VGPGRUHWDSSBBF-SFHVURJKSA-N 351.450 2.950 0 50 FFAA Nc1ncc(CN2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)cn1 1704327255 QNGWMXXPULUCFI-QFIPXVFZSA-N 372.476 2.996 0 50 FFAA CC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(O)nc3c1CCCC3)CC2 828869872 RYZNAKGDPWYWPQ-UHFFFAOYSA-N 365.433 2.823 0 50 FFAA O=C(OC[C@H]1CC[C@@H](CO)CO1)c1cccc(-c2noc(C3CC3)n2)c1 1875298636 IBIHHIHIKHBXNJ-BLLLJJGKSA-N 358.394 2.558 0 50 FFAA C[C@H]1c2cccnc2CCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C 1875293891 GSQRWDDPIDUFOA-WMZOPIPTSA-N 352.482 2.883 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1ccnc2cc(F)cnc12 1875399619 FUGSEDHVQBFVCA-BLLLJJGKSA-N 354.389 2.581 0 50 FFAA O=C(NCc1cn(-c2ccncc2)nn1)c1ccc2c3c(cccc13)CC2 1875338654 FXKRJKLZCCXRAI-UHFFFAOYSA-N 355.401 2.844 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@]2(C)C[C@]2(F)Cl)C1 1875383510 WWXWMOMDDGYPAE-WQANXHIZSA-N 364.848 2.820 0 50 FFAA O=C(NC1CC(CCn2cc(C3CC3)nn2)C1)[C@@H]1C(F)(F)C12CCC2 1875408126 PAFVGPHJAFANLN-HGMXIMQMSA-N 350.413 2.876 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccnc3C3CC3)C2)[C@H]1C(C)C 888094953 NERASLDYASMFMN-ZJSJBZJDSA-N 357.498 2.559 0 50 FFAA CCCCC(=O)N[C@@](Nc1nccs1)(C(=O)OCC)C(F)(F)F 2307332 XHXMYOURADNFBN-GFCCVEGCSA-N 353.366 2.683 0 50 FFAA COCCNS(=O)(=O)c1cccc(-c2nc([C@@H](C)C3(C)CC3)no2)c1 2325774300 FCJGDBASWCHQAZ-GFCCVEGCSA-N 365.455 2.565 0 50 FFAA CC(C)C(=O)NC[C@@H](C)CN=c1[nH]c2ccc(Br)cc2o1 2325867513 YKVKFTVXKRLNET-SNVBAGLBSA-N 354.248 2.832 0 50 FFAA Cc1cccc2nc(CNC(=O)c3cnc(-c4cnn(C)c4)s3)n(C)c12 120827316 AHFSSYDHYOWXQW-UHFFFAOYSA-N 366.450 2.669 0 50 FFAA Cc1cccc2c(CC(=O)N3CCC[C@@H](CN4CCOCC4)C3)c[nH]c12 133417983 OAPPXDJUHYPDIM-KRWDZBQOSA-N 355.482 2.590 0 50 FFAA Cc1cc(C)n(-c2cccc(-c3cnc4c(N5CC[C@H](O)C5)nccn34)c2)n1 2356141201 XYCOEQFJNFLPMO-SFHVURJKSA-N 374.448 2.770 0 50 FFAA CCN(CC)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 2812845 JWNCKGHKJXYIJS-UHFFFAOYSA-N 353.271 2.628 0 50 FFAA COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1 4978376 RCMSSALTPNVXMQ-UHFFFAOYSA-N 355.799 2.629 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2C[C@H]3CCCC[C@H]3C2)C1=O 133382492 OEYDJVRBBUMDNY-XHSDSOJGSA-N 357.454 2.632 0 50 FFAA O=C(CCC(=O)NC1CCCCCCC1)NCC1(Cn2ccnc2)CC1 55132066 BXTVWFZRJTXXEE-UHFFFAOYSA-N 360.502 2.789 0 50 FFAA C[S@@](=O)C1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 280497254 BOXJBYWDHMVAKT-LJQANCHMSA-N 356.296 2.573 0 50 FFAA O=Cc1cccc(OCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 113151845 ACAIXUKWPYMTMC-UHFFFAOYSA-N 370.424 2.798 0 50 FFAA CCSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 65364702 UPDQYFOANCGLMV-CYBMUJFWSA-N 356.513 2.799 0 50 FFAA O=C(C1CC1)N1CCC(N2CCN(c3nccc4ccccc34)CC2)CC1 65452473 DCYKLBSQFWYDGH-UHFFFAOYSA-N 364.493 2.758 0 50 FFAA Cc1nc(N2CCN(C(=O)Cc3n[nH]c4ccccc34)CC2)sc1C 126540803 BRBATDOVYRSZJU-UHFFFAOYSA-N 355.467 2.528 0 50 FFAA CC[C@@H](NC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1)c1ncc(C)[nH]1 67772849 WUEKBPHLASWUIB-CQSZACIVSA-N 363.425 2.720 0 50 FFAA CCN1C[C@@]2(CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)CCC1=O 72425917 SBUBIZAKWBNNDY-NRFANRHFSA-N 353.466 2.753 0 50 FFAA COC(=O)[C@@](NC(C)=O)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 3622278 HECBNSNERYSGAL-LLVKDONJSA-N 374.237 2.565 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(CCCOc2ccccc2C)CC1 328603453 GAXLWBYEVXFDDQ-GOSISDBHSA-N 362.470 2.552 0 50 FFAA C[C@H](COC1CCCC1)CS(=O)(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 328742139 JHEMULOJGGUMOJ-NUJGCVRESA-N 369.531 2.691 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 124280742 RBEDDNQJWCUKIO-CVEARBPZSA-N 353.484 2.756 0 50 FFAA Cc1cc(C)cc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c1 72424024 ZEYJVUYPIOMEDX-IBGZPJMESA-N 370.493 2.981 0 50 FFAA CCN1C(=O)C[C@H](C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)[C@H]1c1cccnc1 333044444 FPPHWRBZADPXTE-GSDFEODASA-N 365.477 2.662 0 50 FFAA Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C)c1nnnn1C1CC1 241719805 QPTTUOQYKPPUFC-NSHDSACASA-N 354.439 2.931 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)no1 77534996 PWYPOLNAVXJFMM-CYBMUJFWSA-N 354.414 2.548 0 50 FFAA CCC(CC)N(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71756897 YLVJQNZOIVKAIM-MRXNPFEDSA-N 361.486 2.623 0 50 FFAA COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H](N)C[C@H]1C 237105574 LJMGLHFBKLKNOY-ZCGNALJPSA-N 353.260 2.809 0 50 FFAA O=C(N[C@H](c1cccs1)C1CC1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 333952720 CSEWTDRAJLXJIY-RDJZCZTQSA-N 368.524 2.810 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)c3cccc(OCC(N)=O)c3)cc2c1C 71770851 HIZJSQXHZNTZFC-UHFFFAOYSA-N 365.433 2.833 0 50 FFAA C[C@H](c1ccccn1)N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 157679514 GGNKFDFJWZKVTA-CQSZACIVSA-N 354.410 2.721 0 50 FFAA NC(=O)COc1cccc(CN2CCC(Oc3ccc(F)cc3)CC2)c1 72151990 LRPWKNZEPLBAAP-UHFFFAOYSA-N 358.413 2.733 0 50 FFAA COc1ccc(OC2CCN(Cc3c(C)nn(CCO)c3C)CC2)cc1 72161654 ZIVAUUFQCQOCBZ-UHFFFAOYSA-N 359.470 2.544 0 50 FFAA Nc1nnc(CCNc2cc(-c3ccccc3F)nc3ccnn23)s1 72474608 GFZFMCSGICZUNZ-UHFFFAOYSA-N 355.402 2.624 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 375180143 ZIOZNEUNKRRUBF-QGZVFWFLSA-N 354.406 2.885 0 50 FFAA CCOC(=O)c1coc(N2CCN(c3nc4ccccc4s3)CC2)n1 77406653 BVWCIGMYZQNHBC-UHFFFAOYSA-N 358.423 2.788 0 50 FFAA CN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)Cc1cccnc1 71755285 OXCNQXBVUKWFFD-SFHVURJKSA-N 359.857 2.767 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 263260227 QEVBKIOROCNYII-RTBURBONSA-N 373.497 2.903 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3nc(C)cc3C)CC2)OC1=O 77297866 FIMTZWXWCDLXDE-OAHLLOKOSA-N 362.474 2.502 0 50 FFAA COCCc1noc([C@@H]2CCCN(c3ncnc4sc(C)cc34)C2)n1 77455811 COFMIDRNVVIGNH-GFCCVEGCSA-N 359.455 2.956 0 50 FFAA Cn1ncc2c(N3CCC[C@H](Cn4ccnc4)C3)nc(-c3ccncc3)nc21 72436371 QJQGKYALECHTBU-OAHLLOKOSA-N 374.452 2.538 0 50 FFAA C[C@](O)(CNC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 174315568 IIUDTVRIOLFOCY-FQEVSTJZSA-N 372.490 2.624 0 50 FFAA Cc1c(NC(=O)NC[C@H](c2ccco2)N(C)C)cccc1N1CCOC1=O 174553523 FAGKFGKMWHLTEM-MRXNPFEDSA-N 372.425 2.969 0 50 FFAA CCOc1ccc(CNC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)cc1OC 175068843 BKSZRKFDQJGFGH-ALOPSCKCSA-N 361.486 2.908 0 50 FFAA CCCCc1cn(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nn1 48501663 URKYWFWVLZSMBF-LJQANCHMSA-N 370.453 2.624 0 50 FFAA C[C@H]1C[C@@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CN1C1CC1 177075843 QTNHPPDSPPOXIX-WCQYABFASA-N 371.462 2.894 0 50 FFAA Cc1ccc(CNC(=O)N2CCCN(C(=O)Cc3ccccc3)CC2)cc1 138257046 MLUFDSVCAQBZFL-UHFFFAOYSA-N 365.477 2.982 0 50 FFAA CC(C)[C@@H](CC(=O)O)NC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 426573162 NSEBKMJLGMHNGU-MRXNPFEDSA-N 362.405 2.652 0 50 FFAA CSCC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1nc2ccccc2[nH]1 221221537 OJTLEZPKAKVXMF-SNVBAGLBSA-N 364.862 2.746 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N(C)C1CCOCC1 426432052 SPMCKHMGGFCUCO-UHFFFAOYSA-N 360.433 2.949 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCN1C1CCN(C)CC1 221315564 DQAMFNWJUPMGGM-NRFANRHFSA-N 368.525 2.694 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1csc(CSC)n1)C2 95385127 FRLQDMLILXFXFF-GFCCVEGCSA-N 364.492 2.882 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91255183 AUDRDWNCMVTEFB-OAHLLOKOSA-N 365.433 2.879 0 50 FFAA Cc1[nH]c(=O)c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c(C)c1Cl 97413381 GVZRATNYNJATPM-INIZCTEOSA-N 373.884 2.864 0 50 FFAA O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@H]1c1nc[nH]n1 179345941 URVXWYSREWHVNZ-SJORKVTESA-N 356.426 2.730 0 50 FFAA COc1cccc(OCC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1 91858809 ZKADNEJDSHKZSS-SFHVURJKSA-N 355.434 2.658 0 50 FFAA COc1ccc(Cl)cc1-n1nc(-c2ccncc2)nc1CNC(C)=O 95391158 HHZVJNQRJGDAFJ-UHFFFAOYSA-N 357.801 2.627 0 50 FFAA CC(C)c1nnc2n1C[C@@H](NC(=O)c1c(Cl)cncc1Cl)CC2 293292411 DICJQFRSGVZEIP-VIFPVBQESA-N 354.241 2.848 0 50 FFAA CCc1ccc(Cn2nc(-c3ccc(C)o3)nc2[C@@H]2C[C@@H](O)CN2)cc1 96148535 YLRGGDJADFFGII-SJORKVTESA-N 352.438 2.853 0 50 FFAA O=C1CCC2(CCN(C(=O)[C@@H]3CCCCO3)CC2)CN1Cc1ccccc1 91426624 WGPPOCUJQIMSFX-IBGZPJMESA-N 370.493 2.987 0 50 FFAA Nc1nnc(CCNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)s1 96131959 VIPSEONMXGUPDE-UHFFFAOYSA-N 374.470 2.613 0 50 FFAA Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc2c(c1)CCCC2=O 295322351 OIWIXYINHFUASD-UHFFFAOYSA-N 355.366 2.976 0 50 FFAA O=C(C1CCN(C2CCCCC2)CC1)N(CCCO)Cc1ccncc1 95383724 JUXMNMSMRYFDQY-UHFFFAOYSA-N 359.514 2.837 0 50 FFAA O=C1OCC2(CCN(C(=O)[C@H]3CCCCN3Cc3ccccc3)CC2)O1 244723927 MKFFJSKRGFVVLV-QGZVFWFLSA-N 358.438 2.569 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(CN2CCCC2)o1 252537213 KSMQRHWSOYEGKW-QWFCFKBJSA-N 368.477 2.987 0 50 FFAA O=C1[C@H](N2CCCN(c3ccccn3)CC2)CCN1c1ccccc1F 183822620 QJBAYOZTRXWOKW-GOSISDBHSA-N 354.429 2.538 0 50 FFAA Cc1nc(CCNC(=O)c2ccc(O)nc2C(C)C)nc2c1CCCC2 1940193603 LNBJDBXWGBPGJH-UHFFFAOYSA-N 354.454 2.860 0 50 FFAA CC(C)c1ccc(-c2cccc(C(=O)NCCCn3ccnn3)c2)nn1 299787265 UEYAKZZKQIPNJX-UHFFFAOYSA-N 350.426 2.679 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 299794587 KZTLSQNBKRJAQT-WSTZPKSXSA-N 355.438 2.671 0 50 FFAA CC(C)(C)c1csc(CNC(=O)Cc2ccc(S(C)(=O)=O)cc2)n1 299794881 KCZQTWBVJFVBJF-UHFFFAOYSA-N 366.508 2.703 0 50 FFAA CN(C)CCN(CCO)C(=O)c1cccc(-c2cncc3ccccc23)c1 299764630 ASQUFQVNVXUCNI-UHFFFAOYSA-N 363.461 2.898 0 50 FFAA Cc1ccc([C@@H](NC(=O)CCN2CCOCC2)c2cccnc2)c(C)c1 299764692 CKNCKAOKMUUCBH-NRFANRHFSA-N 353.466 2.626 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1N1CCOCC1 299802006 RDAUXWBGADHKRD-SFHVURJKSA-N 365.477 2.780 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 299776261 MQNFMSCKFJFHNG-UHFFFAOYSA-N 368.437 2.905 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(CN3CCCCC3)cs2)C1 824864217 OKCXWTNINZUEBN-MRXNPFEDSA-N 370.584 2.991 0 50 FFAA CC(C)n1ncnc1-c1cccc(C(=O)N[C@H](C)CCn2cccn2)c1 584899086 XINKMYLDUMJQQW-OAHLLOKOSA-N 352.442 2.931 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccccc1-c1nc[nH]n1 670455442 QAYQPARHZATMCL-GOSISDBHSA-N 358.405 2.840 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CC(=O)OC12CCCC2 952965807 AMTFILGBFHLRPU-MRXNPFEDSA-N 353.422 2.673 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccc(-c2ncon2)cc1)c1ccccc1F 952973000 MQQQLWBIGBZLKM-KRWDZBQOSA-N 354.385 2.795 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCO[C@@H](CO)C1)c(C)n2C1CCCC1 269204298 SLHJIABEWMBNDT-QGZVFWFLSA-N 372.465 2.907 0 50 FFAA CCn1cc(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 170602119 WWYYSJBRFVFJPA-UHFFFAOYSA-N 369.252 2.849 0 50 FFAA COc1nccc(NC(=O)N(C)Cc2ccccc2Br)n1 170609521 BDRVBCNMQQGGCE-UHFFFAOYSA-N 351.204 2.912 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3csc(C(C)C)n3)CCO2)o1 275250473 CDIKUGYAPPBRRW-LBPRGKRZSA-N 350.444 2.987 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 192411118 OPZKSOJJTZJFHG-QPUJVOFHSA-N 357.193 2.714 0 50 FFAA O=C(O)c1cccc(CNC[C@H]2CCCN(CCc3ccccc3)C2)n1 1506415252 AJNNQHCDOQVLIY-GOSISDBHSA-N 353.466 2.824 0 50 FFAA O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 209941094 PVFHWHZZKHQMEU-YPMHNXCESA-N 357.307 2.558 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529119341 UUXUJDOOFUQOTB-DNVCBOLYSA-N 365.433 2.769 0 50 FFAA CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2ccccc2)CC1 14107009 IVEZPSYQXMUENK-UHFFFAOYSA-N 358.463 2.964 0 50 FFAA O=C(CSc1ccccc1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 14961241 UEKYIHVDHHYFEX-INIZCTEOSA-N 358.438 2.835 0 50 FFAA COc1ccc2cc(C(=O)NCc3cccnc3-n3ccnc3)n(C)c2c1 15078796 HMTYGSKKXRROQR-UHFFFAOYSA-N 361.405 2.698 0 50 FFAA CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 16648006 KSDNLXXJHGJUTC-UHFFFAOYSA-N 372.490 2.897 0 50 FFAA O=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3cccs3)cc21 169754525 JRIIAJMIRQWEBF-INIZCTEOSA-N 360.389 2.922 0 50 FFAA O=C(c1ccsc1)N1CCC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777734 XAYMIJVUPGALOG-CYBMUJFWSA-N 370.438 2.744 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1cccc2c1CCOC2 1857527477 VAEDQSIIXBFLPC-MSOLQXFVSA-N 354.454 2.567 0 50 FFAA Cc1c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)nc2ccccn12 1857670779 CDKJIGRSBQSYHS-FQEVSTJZSA-N 374.488 2.958 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)c(F)c1 238093233 DWNMXPSJWGPGNW-NSHDSACASA-N 374.206 2.684 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@H](CO)c4ccccc43)ccc2O1 432257571 KEGGYBVMJLZUTE-CQSZACIVSA-N 359.447 2.685 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)C2CCOCC2)O3)n1 11813793 QWASFHISYGVPOR-SFHVURJKSA-N 367.449 2.607 0 50 FFAA C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1CO 246936801 WRRBRTDCHAQNHP-HUBLWGQQSA-N 356.260 2.884 0 50 FFAA CN1CC[C@H](O)[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 248131694 NLJZXKUGBFALSU-FHWLQOOXSA-N 358.869 2.858 0 50 FFAA O=C(CCc1nc(C2CCCC2)no1)N1CCCN(CC(F)(F)F)CC1 135047730 GZOCAGWLAOVLIX-UHFFFAOYSA-N 374.407 2.756 0 50 FFAA Cn1cc(Oc2ccccc2C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cn1 367336908 OOGHZEBYKVUDFZ-AWEZNQCLSA-N 351.410 2.955 0 50 FFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 155241386 AJYGKLFGSDKPGF-KRWDZBQOSA-N 354.454 2.736 0 50 FFAA CCc1ccc(CN(C(=O)c2coc(S(=O)(=O)NC)c2)C2CC2)cc1 162877744 DCQMQKOJDDRTBE-UHFFFAOYSA-N 362.451 2.555 0 50 FFAA CN(c1ccccc1)c1cc(NC[C@H](C(=O)O)C2CCOCC2)ncn1 863735788 GXMZJIHJMASLHF-INIZCTEOSA-N 356.426 2.784 0 50 FFAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C)[C@H](C1)C2(F)F 868506483 MIFOJBXQHAQRQG-VKJFTORMSA-N 366.408 2.848 0 50 FFAA Cc1nn(C)c2nc(C(=O)N[C@@H]3CCCc4cnn(C(C)C)c43)cc(O)c12 952874964 LWCZOXXGXNIQEQ-CYBMUJFWSA-N 368.441 2.567 0 50 FFAA CC(C)c1ccc(-c2nc(CN3C[C@H]4COC[C@@H](C3)C(=O)N4)cs2)cc1 1875282794 SJDZWWXRHZDERD-SJORKVTESA-N 371.506 2.880 0 50 FFAA CCC1(N2CCCCC2)CCN(c2nc(N)nc(C(F)(F)F)n2)CC1 895135175 HKHHZFJWFSDXLO-UHFFFAOYSA-N 358.412 2.708 0 50 FFAA COC[C@@H](OC(=O)c1cc(Br)c2occc2c1)C(=O)OC 2325779468 HDNMNITXZLMHGL-LLVKDONJSA-N 357.156 2.540 0 50 FFAA OCCOc1ccc(-c2noc(CCc3cccc4c3OCCO4)n2)cc1 2325817145 URUFNSJEGKZARH-UHFFFAOYSA-N 368.389 2.664 0 50 FFAA COc1ccc2[nH][nH]c(=NC(=O)c3ccc4c(c3)nc(O)n4C3CC3)c2c1 2325826500 CPWKSHRJGMYENO-UHFFFAOYSA-N 363.377 2.636 0 50 FFAA CC[C@@H](C)CC(=O)NC[C@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867165 NDLTVQWPQPTIOA-CIQAELJKSA-N 351.535 2.554 0 50 FFAA CC[C@H](CNC(=O)c1ccnc(Cl)c1)NC(=O)c1ccnc(Cl)c1 110715807 UUGJFJUNTKUGKE-GFCCVEGCSA-N 367.236 2.722 0 50 FFAA O=C(NN1CC(=O)N(c2ccccc2)C1=O)c1ccc(Br)cc1 623086 MJUINBWXXJLOHS-UHFFFAOYSA-N 374.194 2.563 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)O)C(C)C)cc1 846188 ICNWLOCYNRZUJT-KRWDZBQOSA-N 370.405 2.787 0 50 FFAA biogenic COc1cc([C@H](O)CN[C@@H](C)CCn2cnc3ccccc32)ccc1O 2019982 NKKPVWPMPWLEMY-IFXJQAMLSA-N 355.438 2.852 0 50 FFAA in-man CC(C)c1ocnc1C(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 2356158478 LWOHPEXHKLHFOO-HXUWFJFHSA-N 369.469 2.774 0 50 FFAA Cc1cncc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)c1 2356168199 TZBAZPIWGSGGIT-OAQYLSRUSA-N 364.449 2.582 0 50 FFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccco1 4082394 DDJUHCYDEZCCGX-UHFFFAOYSA-N 365.842 2.896 0 50 FFAA O=C(Cn1cc2ccccc2n1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 467807343 XJHKANQJJSSWRF-UHFFFAOYSA-N 353.332 3.343 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 225436630 XFUCACKIMWFIBN-MWLCHTKSSA-N 369.336 2.923 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)[C@H]3CCNC3)[nH]c2-c2ccccn2)cc1 67934626 HABKFLOWOPOODR-INIZCTEOSA-N 361.449 2.673 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3ccccc3F)nn2)n1 65364317 URFZWRUKNBUQRK-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CC(C)(C)c1ncc(NC(=O)NCC(=O)N2CCCc3ccccc32)cn1 171318154 WUFRXKRQJUUMTB-UHFFFAOYSA-N 367.453 2.875 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1O 67726144 SLKNZXKHADESGC-HZPDHXFCSA-N 368.462 2.832 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)CCc3cn4ccccc4n3)n2)c1 65372097 DZEXZBNUCPIJCF-UHFFFAOYSA-N 361.405 2.942 0 50 FFAA CCn1nc(C)c(CN(C)C(=O)c2c(Br)c(C)nn2C)c1C 2774844 SNCSNYYGZNPHKG-UHFFFAOYSA-N 368.279 2.596 0 50 FFAA c1ccc([C@H]2CN(c3nnnn3-c3ccccc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72171222 ITVYGIYFHGBZAR-NJDAHSKKSA-N 372.476 2.729 0 50 FFAA O[C@H]1CCCN(c2ncccc2CNCc2cccn2-c2cccnc2)C1 11818058 RCYYXAFNVAWYHC-FQEVSTJZSA-N 363.465 2.518 0 50 FFAA CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)Cc1c(F)cccc1Cl 328619697 GCPLNXVCIIQCCR-UHFFFAOYSA-N 371.865 2.974 0 50 FFAA Cc1cccc(OCC(=O)N2CCC[C@H](N(C)CCCN(C)C)C2)c1C 72143798 KTTQQHPEMCJWLU-IBGZPJMESA-N 361.530 2.557 0 50 FFAA Cc1nc2c(c(N3CCC[C@@H](COc4cccc(F)c4)C3)n1)CCNCC2 72448303 CRUNGZHFCHKLIL-MRXNPFEDSA-N 370.472 2.908 0 50 FFAA Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1 72409890 FYPDSXZHDMGLEE-IOMROCGXSA-N 367.449 2.774 0 50 FFAA CCCc1ncncc1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 216053141 GFVLMBYECCNBKB-IBGZPJMESA-N 353.470 2.781 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 72167443 LHPVVQKTDFCOEZ-SFHVURJKSA-N 356.445 2.581 0 50 FFAA Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3)C2=O)cc1 333228394 NOCSUCWZTQZMOI-FSGKZVOOSA-N 365.477 2.559 0 50 FFAA Cc1c(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)nnn1C1CCNCC1 237391895 TWAJCSRTJTWGMH-KZULUSFZSA-N 371.460 2.704 0 50 FFAA CCCc1cnc(C)nc1NCc1cc2c(nc1OC)CN(CC)C2=O 71749100 BEWWXEJQUKMBPE-UHFFFAOYSA-N 355.442 2.729 0 50 FFAA COc1ccc2c(c1)CCCCN2C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 283795573 AEWOGFHHWHCJMS-INIZCTEOSA-N 363.479 2.579 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3ccc(C)c(F)c3)ncn2)n1 72116029 QCAGYIIHMUCSBU-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(CC(=O)O)c2)CC1=O 263144419 KETJNWHZLTUWRN-YOEHRIQHSA-N 366.417 2.862 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@H](COc2ccc(F)cc2)C1 82083640 VJJSSTCEOUZLBG-INIZCTEOSA-N 358.413 2.695 0 50 FFAA CC(C)n1cnnc1CCNC(=O)Nc1cnn(Cc2cccc(F)c2)c1 426489758 QDOIYSXMRSLABF-UHFFFAOYSA-N 371.420 2.607 0 50 FFAA CCC[C@H](NC(=O)Nc1cccc(Cn2cncn2)c1)c1nccn1C 426513735 RMNOUWCAWLJRQV-INIZCTEOSA-N 353.430 2.723 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cc(C)no2)CC1 91943335 LJJHUJUATZUWNV-UHFFFAOYSA-N 369.473 2.527 0 50 FFAA COc1ccc(CN2CC[C@@]3(CCCN(C)C3=O)C2)c(Cl)c1OC 91770560 XBKMDFOTLXMZGX-SFHVURJKSA-N 352.862 2.802 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H](c1ccccc1F)N(C)C 95361748 UPXRNKQNCGOBGL-QGZVFWFLSA-N 369.400 2.532 0 50 FFAA NC(=O)CCN(CCc1ccccc1)Cc1cc(O)c2cc(F)ccc2n1 92097435 NWZOFXUXQPHWRI-UHFFFAOYSA-N 367.424 3.000 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(SC)cc1)CCN2C 95387275 FDWXEMHHEILGLZ-FQEVSTJZSA-N 361.555 2.927 0 50 FFAA CC(C)Oc1ccc(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 91877077 WTNTYAYLDSTPFX-UHFFFAOYSA-N 360.498 2.671 0 50 FFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nnc2n1CCCC2 92021421 CCMHQKPAMQMHAZ-AWEZNQCLSA-N 350.422 2.851 0 50 FFAA O=C(CN1CCCCCC1=O)N[C@@H](c1cccc(F)c1)c1ccccn1 179376309 LTXXKUMATNKCRZ-FQEVSTJZSA-N 355.413 2.829 0 50 FFAA CCOc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)cc1 91270241 PAEMSDBGRFJIHS-INIZCTEOSA-N 374.481 2.763 0 50 FFAA OC[C@H]1CN(c2ncc(Cl)cc2C(F)(F)F)C[C@H]1CN1CCCC1 91964962 DJJXXLVIHWELML-VXGBXAGGSA-N 363.811 2.894 0 50 FFAA CCNc1ncc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)cn1 91830485 YFVOBRLVHJGDGI-UHFFFAOYSA-N 368.485 2.925 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)c2cc(O)n[nH]2)C1 91894960 DNNCQYIESBAHSI-OAHLLOKOSA-N 369.400 2.884 0 50 FFAA Cc1ccc(F)cc1CC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95497724 NVEZWHWFJXZJLQ-QGZVFWFLSA-N 372.488 2.841 0 50 FFAA O=C(OCc1ccccc1)N1CCC(N2CCC3(CC2)OCCO3)CC1 98213405 LNHYCDHCOJQRND-UHFFFAOYSA-N 360.454 2.627 0 50 FFAA Cc1ccsc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 91792903 MYPBUNBZWCAHQE-OAHLLOKOSA-N 357.479 2.849 0 50 FFAA C[C@@H]1CCc2ccccc2N1C(=O)COc1cccc2c1NC(=O)CO2 180748032 RXCRQABRKXIJQP-CYBMUJFWSA-N 352.390 2.764 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)[C@H]3CC[C@@H](O)CC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 244794599 QPVCEVORGOWSMG-PVIWCNJMSA-N 368.521 2.935 0 50 FFAA CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccnc(N2CCCCC2)c1 182487115 QFYPGDKNPSFOEU-IRXDYDNUSA-N 351.516 2.517 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccc(Cl)cc2)CN1Cc1ccccc1 32578111 UBTGASBJVSENAB-MOPGFXCFSA-N 357.885 2.819 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)N2CCN(CCOC)CC2)c1C 299788766 VBQFEZUEECDJHC-UHFFFAOYSA-N 371.485 2.539 0 50 FFAA CCOc1ccc([C@H](CC)NC(=O)c2cc3ncc(CCO)cn3n2)cc1 670444743 SBPUZEASBBZJGO-KRWDZBQOSA-N 368.437 2.544 0 50 FFAA CN1CCC(N2CCC(c3ncnn3-c3ccc(F)c(F)c3)CC2)CC1 670467543 LELYDAQJIJWUHI-UHFFFAOYSA-N 361.440 2.819 0 50 FFAA O=C(Cc1cn2ccsc2n1)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565507496 SQWJJMVZLSSQPP-UKBAYJJMSA-N 367.474 2.701 0 50 FFAA Cc1cccc(Br)c1S(=O)(=O)NC(=O)[C@@H]1C[C@H]1C1CCC1 408499201 MGNJHCGNKKYTJH-NWDGAFQWSA-N 372.284 2.999 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 275406232 BILWZHKSEBQDMG-HNNXBMFYSA-N 369.469 2.822 0 50 FFAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nnnn1CC1CC1 170598281 ICXJXTYGOCQKJJ-AWEZNQCLSA-N 356.474 2.778 0 50 FFAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@@H](c2ccn[nH]2)C1 170676762 POYWEBUAGSNARZ-ZBFHGGJFSA-N 372.494 2.872 0 50 FFAA CCOc1ccc(CNC(=O)C(=O)Nc2nc(C3CC3)cs2)cc1F 170618531 MDQIVXMMSYDFBX-UHFFFAOYSA-N 363.414 2.813 0 50 FFAA CC(C)c1nc(C(=O)N(C[C@@H]2CCCN2)C2CC2)nn1-c1cccc(F)c1 186536390 WAKMNXYVSLBDLU-HNNXBMFYSA-N 371.460 2.886 0 50 FFAA Cc1nccn1CCCN(C)C(=O)c1cn(-c2cccc(Cl)c2)nn1 188835068 CNXUJDNBYCGLSF-UHFFFAOYSA-N 358.833 2.588 0 50 FFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@@H]1COCCN1C1CCCC1 188903577 MPZRDLSPWVTFAE-IBGZPJMESA-N 370.497 2.597 0 50 FFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@H]1COCCN1C1CCCC1 188903603 MPZRDLSPWVTFAE-LJQANCHMSA-N 370.497 2.597 0 50 FFAA O=C1CCCC[C@@H](C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)N1 193969074 YMOXUWZGPHTHHY-INIZCTEOSA-N 357.385 2.688 0 50 FFAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC([C@@H](O)c2cccs2)CC1 1506395239 FAJAFNARQUQZCN-MRXNPFEDSA-N 369.450 2.514 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc2c(nc1O)CCCC2 1506416014 CTEXEABEAHKFIL-UHFFFAOYSA-N 354.435 2.943 0 50 FFAA O=C(c1cccc(-n2cnnc2)n1)N1CCC[C@H](c2nc3ccccc3o2)C1 1506407857 KJGCCGSKESDIQP-AWEZNQCLSA-N 374.404 2.823 0 50 FFAA CCOc1ccccc1C(=O)N1CCCN(C[C@@H](O)c2ccccc2)CC1 1529094539 HKNPGDDZXBEOJH-HXUWFJFHSA-N 368.477 2.967 0 50 FFAA COc1ccc2cc([C@@H](C(=O)O)N3CCC4(CC3)CNC(=O)O4)ccc2c1 1529104210 MGNAEEDUDWDSAL-KRWDZBQOSA-N 370.405 2.549 0 50 FFAA O=C(CCCN1CCCCCC1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529104035 KRJWRGLYGLPLGC-TZIWHRDSSA-N 360.498 2.604 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CCC[C@H](N)C2)CC1 1704345217 XIUUNDGSHYHDSK-SJORKVTESA-N 358.482 2.603 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(c3ccc(Cl)cn3)CC2)CCC1=O 1772816088 HPTDSNVPMBARQW-OAHLLOKOSA-N 350.894 2.504 0 50 FFAA c1cc2c(c(-n3ccnc3-c3cnc(NC[C@H]4CCCO4)nc3)c1)CCO2 1772805586 PONNCJIVESCNBF-OAHLLOKOSA-N 363.421 2.855 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCOC 11878384 LUYBGXYPSLDHME-LJQANCHMSA-N 362.514 2.835 0 50 FFAA COC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 12298077 GWTMATDGFTZPQG-MRXNPFEDSA-N 355.390 2.569 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)NCC2(O)CCCCC2)no1 12434350 BIJBZUHWFHCOLO-UHFFFAOYSA-N 368.437 2.806 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cscn1 12454501 NJUQAPUNIDEWMR-NSHDSACASA-N 369.368 2.693 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 12459776 LQOVCLSBMFHFDR-INIZCTEOSA-N 372.494 2.902 0 50 FFAA CSCCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 14962218 JQZSGLUVISTXML-LLVKDONJSA-N 366.512 2.683 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H](C)c1cnn(-c2ccccn2)c1C 14980276 XYQPYFIBHAJOGO-GFCCVEGCSA-N 353.426 2.991 0 50 FFAA CC[C@H](Nc1nc2nonc2nc1N1CCSCC1)c1ccncc1 15068249 XXRGHLVNHKDSCE-LBPRGKRZSA-N 357.443 2.524 0 50 FFAA Cc1ccccc1-n1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1 15075330 YSWLEPHLAFOGJQ-FGZHOGPDSA-N 368.525 2.992 0 50 FFAA Fc1ccc([C@@]2(CN3CCC(N4CCSCC4)CC3)CCOC2)cc1 19774358 COADADDVIIRYTA-HXUWFJFHSA-N 364.530 2.997 0 50 FFAA C[C@H]1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)O[C@@H]1C(=O)O 1857528337 XBFKOUVRRCAGHD-BIMQEMHKSA-N 357.381 2.910 0 50 FFAA NC(=O)[C@@H]1CCCN(CCCn2ccnc2-c2cccc3cnccc23)C1 1857682214 SEWAGBVSDPFVKC-QGZVFWFLSA-N 363.465 2.686 0 50 FFAA NCC1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 237800833 FDPIDOAZGAXJLW-FQEVSTJZSA-N 365.477 2.745 0 50 FFAA CCc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1 11910711 IOYKQERMBYSNLG-UHFFFAOYSA-N 353.470 2.570 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 248005873 PQYYQEVQAYDAGG-KGLIPLIRSA-N 370.428 2.689 0 50 FFAA COc1cc(C)ccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 137541799 HCEGGPSIHGOXTJ-QGZVFWFLSA-N 368.433 2.630 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)cc1 366698159 IEGYWKMKQXQGJZ-KBPBESRZSA-N 362.426 2.539 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@@H](C)C2)(c2ccccc2)CC1 847897926 ZXBZSSBPUSKEGP-KRWDZBQOSA-N 372.534 2.944 0 50 FFAA COc1c(F)ccc(F)c1C(=O)N[C@H]1CC[C@@H](Cc2nnc(C)o2)C1 952890972 PTFIJBHYIJWLCA-MNOVXSKESA-N 351.353 2.806 0 50 FFAA CCn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3ncoc3C(C)C)CC1)O2 1875394511 KWNVTFQQNVTTRO-CYBMUJFWSA-N 374.441 2.505 0 50 FFAA CC(C)(C(=O)NCC[C@@H]1CCCCN1C(=O)c1cncs1)C(F)F 1875315443 VDIGRKCYDFCIFJ-NSHDSACASA-N 359.442 2.935 0 50 FFAA C[C@H](NC(=O)NC[C@]1(CO)CC12CCOCC2)c1cccc2cc[nH]c12 1875324752 LOLKUAGAYCVEDM-XOBRGWDASA-N 357.454 2.707 0 50 FFAA Cc1ccc(C(=O)N2CC3(CC3)C[C@H]2CNC(=O)C2(C)CC(C)C2)n1C 1875406563 HMJHGCXXNHTNAT-FXUPRZHBSA-N 357.498 2.881 0 50 FFAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cccn2cnnc12 299762672 WDLLWQVODVVKSK-UHFFFAOYSA-N 363.465 2.714 0 50 FFAA CC(C)(C)n1ccc(-c2nc(CC(N)=O)nn2CCc2ccccc2)c1 2100534431 HZTDTYPOMKISIS-UHFFFAOYSA-N 351.454 2.772 0 50 FFAA Nc1ncc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1Cl 2325724435 VDIFYCYXYLWUDM-JTQLQIEISA-N 365.220 2.506 0 50 FFAA CC1=NN(c2ccc(C(=O)N3CCO[C@]4(COC(C)(C)C4)C3)cc2)CC1 2325782387 VOJRRSUCDFUKFU-FQEVSTJZSA-N 357.454 2.683 0 50 FFAA CCC[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325866971 GTXMAUYNAAMIFW-CIQAELJKSA-N 351.535 2.697 0 50 FFAA CCN1Cc2ccccc2[C@@H](N=c2ccc3nnc(C(C)(C)C)n3[nH]2)C1 2325868435 ZFPHLYNEHGZABY-INIZCTEOSA-N 350.470 2.832 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H](c3ccnn3C)C2)cc1 2325890022 SGMRROVOACPDDM-INIZCTEOSA-N 352.438 2.589 0 50 FFAA O=C(Nc1ccc(-n2ccc(O)n2)cc1)c1coc(C2CCOCC2)n1 863476586 KAGGCBQHLGQQED-UHFFFAOYSA-N 354.366 2.712 0 50 FFAA COc1ccc(C(=O)Nc2cc(C(C)=O)c(/C=C/N(C)C)oc2=O)cc1 50399844 GRINWRRGVWZKHM-MDZDMXLPSA-N 356.378 2.636 0 50 FFAA Cc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1 1110026 RPTBXQIFMOXXSV-UHFFFAOYSA-N 359.385 2.634 0 50 FFAA COc1ccc(N([C@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 1173504 RKSQXLBOBAPYPH-GFCCVEGCSA-N 366.414 2.628 0 50 FFAA COc1cccc(-c2nc(CN3CCC[C@@]34CCCNC4=O)c(C)o2)c1 2356140303 CXSMUELFJKAZPW-HXUWFJFHSA-N 355.438 2.903 0 50 FFAA COc1cccc(CN(c2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c1 2356142853 KOWQDFJRMDHKSJ-UHFFFAOYSA-N 374.462 2.788 0 50 FFAA CC(C)(O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583267 KIOMNBRJPAICIT-KRWDZBQOSA-N 355.390 2.749 0 50 FFAA CCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 2851626 KPYQENBHDUATMO-UHFFFAOYSA-N 368.499 2.593 0 50 FFAA CCOc1cccc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 4301548 OZOLXIGQXLGJDO-OAHLLOKOSA-N 363.435 2.508 0 50 FFAA COc1cccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)c1OC 4512712 LFCIBHXQTFFMHU-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA CCCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 4537734 KEBIBCLTEJQAQB-UHFFFAOYSA-N 362.451 2.701 0 50 FFAA C[C@@H](Sc1nncn1C)C(=O)Nc1nnc(C2CCCCC2)s1 8883030 BRACCHVSEKBLHB-SECBINFHSA-N 352.489 2.834 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133445276 UTIMEIIEKIEURW-JBACZVJFSA-N 366.461 2.665 0 50 FFAA Cc1cccc(C)c1OCCCN(C)C(=O)c1ccc(-n2cnnn2)cc1 55414092 DZGUAFBFQGKWJY-UHFFFAOYSA-N 365.437 2.820 0 50 FFAA OCC1CCN([C@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 20538684 BZXHDMJLSROGFE-NRFANRHFSA-N 354.498 2.541 0 50 FFAA O=C1O[C@@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2N1C1CCCC1 23338455 XWQYJSJKXNXQCN-RBUKOAKNSA-N 370.428 2.959 0 50 FFAA COc1cccc(CNC(=O)N(C)C2CCN(Cc3ccccc3)CC2)n1 113608293 YDEMPKUIBCEGGO-UHFFFAOYSA-N 368.481 2.896 0 50 FFAA CCCN(Cc1cn(CCC(N)=O)c2ccccc12)Cc1nccn1C 55053672 GVQRTKQOEJUEQQ-UHFFFAOYSA-N 353.470 2.662 0 50 FFAA Cc1nc2sccn2c1C(=O)N1CCN(Cc2cccc(F)c2)CC1 55413876 PPBRRARLWWOVIE-UHFFFAOYSA-N 358.442 2.801 0 50 FFAA CCc1noc(CCNC2CCN(c3cccc(-n4cccn4)c3)CC2)n1 23619210 KWGZIQGRJNJHID-UHFFFAOYSA-N 366.469 2.619 0 50 FFAA C[C@@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2cn(C)nn2)c1 67803121 VNWIBICYQHNZBR-HNNXBMFYSA-N 364.453 2.525 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1nncn1C1CCCCC1 65370094 ZQJFETHSSIXKRQ-IBGZPJMESA-N 367.497 2.846 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1C 20905730 HPJNKRQWDKKQKA-NRFANRHFSA-N 370.541 2.897 0 50 FFAA C[C@H](Cc1ccccc1F)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1 20149175 FFGOOYSXBNKZFY-OAHLLOKOSA-N 359.493 2.954 0 50 FFAA COc1cc(CN2CC[C@@H](NC(=O)[C@H]3CCC(F)(F)C3)C2)cc(OC)c1 331396427 GFJYPSHUUGPLEL-LSDHHAIUSA-N 368.424 2.830 0 50 FFAA CCOc1ccc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 65396648 YNGJHNGJFJQJQL-ZWKOTPCHSA-N 369.417 2.805 0 50 FFAA C[C@H]1CCCCN1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 230073390 WJZQLBDQXRHAPG-UGSOOPFHSA-N 366.483 2.618 0 50 FFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccccc2)C(C)C)C1 230070009 JYNZTVOFTHEATH-ROUUACIJSA-N 366.527 2.952 0 50 FFAA CC[C@@H](O)C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 11813506 CTJJGEJPVROMIR-CYBMUJFWSA-N 374.470 2.674 0 50 FFAA Cc1ccc(F)c(CN2C[C@@H](C(=O)O)C[C@@H](C(=O)NC3CC3)C2)c1Cl 72166130 YAKOZCMULYTQET-NEPJUHHUSA-N 368.836 2.589 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)c1ccccc1-n1cccn1)[C@@H]2C 440153325 BTGPNZVMKBUWGG-CQSZACIVSA-N 350.426 2.804 0 50 FFAA N[C@H](C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2)c1ccccc1 328636162 NWTIMEWIRAQCBS-ROUUACIJSA-N 355.507 2.919 0 50 FFAA CN[C@H]1CCCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 150992290 RJOPAWMPDVSWSI-ZDUSSCGKSA-N 352.360 2.715 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H](C)C2)cc1 77485632 TWCXQLGJSKBQRB-OAHLLOKOSA-N 351.450 2.523 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 71752211 KLCBHIRHABDDPE-NIKGAXFTSA-N 372.419 2.699 0 50 FFAA CC(C)Oc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 363199332 ROJMQXCYXDRWHC-IBGZPJMESA-N 366.461 2.934 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1F 363152232 SMLNBCVLTVHOGH-GDBMZVCRSA-N 362.405 2.688 0 50 FFAA Cc1c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cnn1CCC(C)C 332710217 CXKKJKPRPDZFPW-SJLPKXTDSA-N 363.502 2.535 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72421207 YJQSAMWPFMDSBE-MRXNPFEDSA-N 354.385 2.618 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COCC[C@@H]1OCC1CC1 218958005 JEAYWLOERACEKW-CVEARBPZSA-N 357.372 2.948 0 50 FFAA Cc1ccccc1COc1ccccc1C(=O)N[C@H]1CCC(=O)N[C@@H]1C 282143227 PABKBXXYIXFAGT-QAPCUYQASA-N 352.434 2.971 0 50 FFAA Cc1nc([C@H]2CCN(C(=O)Nc3cc(C)n(C4CCCCC4)n3)C2)n[nH]1 333588387 AUYHDPXRYLAKAG-AWEZNQCLSA-N 357.462 3.145 0 50 FFAA CCCc1cncnc1N1CCC[C@@]2(CCC(=O)N(CCCOC)C2)C1 72454427 BAOUKUMRSAYYKG-FQEVSTJZSA-N 360.502 2.675 0 50 FFAA O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 14974283 VOCZEZUYEZRWTQ-XLIONFOSSA-N 364.401 2.906 0 50 FFAA O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCOCC(F)(F)C1 377492311 PMHUFRQNAPVVRT-ZDUSSCGKSA-N 374.359 2.883 0 50 FFAA Cc1ccc(OC2(C(=O)NCc3cccc(N(C)C)c3)CCNCC2)cc1 77287262 YFLGIHRYNAZHJE-UHFFFAOYSA-N 367.493 2.878 0 50 FFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)CCc1ccncc1 82117298 RWPLHUJNHNDDMA-AWEZNQCLSA-N 357.841 2.932 0 50 FFAA CSc1ncc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)cn1 82121459 WVPZJBJLTQFHEI-UHFFFAOYSA-N 357.483 2.825 0 50 FFAA NCC[C@H]1CN(C(=O)c2ccc(-c3cc(F)c(F)cc3O)cc2)CCO1 426673962 BGLQEBUGACMONO-AWEZNQCLSA-N 362.376 2.527 0 50 FFAA CN1CCCC[C@H]1CCNC(=O)c1ccc(NCc2cccnc2)nc1 19218232 VMLIOXRSRAGVBX-SFHVURJKSA-N 353.470 2.693 0 50 FFAA Cc1ccc2nc([C@H]3CCCN3C(=O)C(C)(C)N3CCOCC3)[nH]c2c1 82098592 SZDXQHCDZQCLOY-QGZVFWFLSA-N 356.470 2.646 0 50 FFAA C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2cc(F)cc(F)c2O)c1 426414862 YRLDYQZKCDHKBT-NSHDSACASA-N 360.360 2.640 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1scnc1C)CC2 91876523 URZGHSYOHUNYJH-UHFFFAOYSA-N 373.526 2.964 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1ccccc1C(F)(F)F 426442931 MGNCCYSWTKPZMG-AWEZNQCLSA-N 366.387 2.685 0 50 FFAA O=C1C[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C2(CCCC2)O1 97360047 VBNKPHYFDUFGTG-AIADIJKESA-N 368.477 2.720 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)cc1 91663738 ZKEZWZFPHUQUBS-RTBURBONSA-N 368.477 2.604 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)N2CCC[C@@H](N(C)C)C2)ccc1Cl 426701761 XTCQDBWFJBBGCL-CYBMUJFWSA-N 352.866 2.600 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2c[nH]nc2-c2cccc(OC)c2)c1C 91656822 NAQWFRZZLQEXTK-UHFFFAOYSA-N 367.453 2.891 0 50 FFAA CC(=O)c1cccc([C@H](C(=O)O)N2CCN(Cc3cccc(F)c3)CC2)c1 95356045 IBVPSXAMPRJRJJ-HXUWFJFHSA-N 370.424 2.972 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)NCc2cc(C)[nH]n2)c1 91451940 XAVYXRMJBVSGRF-UHFFFAOYSA-N 357.410 2.614 0 50 FFAA Cc1cnc(-n2cnnc2)c(-c2ccccc2S(=O)(=O)NC(C)(C)C)c1 96166691 QKLNCPAQLCFSTE-UHFFFAOYSA-N 371.466 2.715 0 50 FFAA Cc1cccc(-n2nc(CC(N)=O)nc2-c2cnc(C3CC3)nc2C)c1C 96165025 ICGGKZLUQMKWSI-UHFFFAOYSA-N 362.437 2.555 0 50 FFAA O=C([C@H]1CC[C@H](O)CC1)N1CCC[C@@H](Cn2cc(-c3ccccc3)nn2)C1 243893150 AOMDIURYTJCHGI-BHIYHBOVSA-N 368.481 2.735 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 299753363 XZGWVBRMUXGQIH-QEJZJMRPSA-N 353.365 2.551 0 50 FFAA COCc1ccc(C(=O)N[C@H](c2cc(F)ccc2OC)[C@H]2C[C@H](O)C2)o1 252552196 UQTODVDCKYIKSS-FNFWKMNBSA-N 363.385 2.816 0 50 FFAA O=C(NC1(C(=O)O)CCOCC1)c1cc(N2CCCCC2)ccc1Cl 252497033 PXRRAFUCTPPXIZ-UHFFFAOYSA-N 366.845 2.694 0 50 FFAA O=C(NCC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 185064398 LRYRPNUNYOOOJI-HXUWFJFHSA-N 370.836 2.728 0 50 FFAA O=C(c1ccc(CSc2ncccn2)o1)N1CCC[C@H]1Cn1cccn1 65417631 JNDXKPVLPATNLI-AWEZNQCLSA-N 369.450 2.863 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1ccc(CN2CCOCC2)cc1 299789305 ZSPJXIOTHCKKOT-UHFFFAOYSA-N 371.485 2.693 0 50 FFAA CC(C)c1noc([C@@H](C)NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)n1 822285058 NWKGAWRVLQCNTH-MRVPVSSYSA-N 373.818 2.584 0 50 FFAA Cc1ccccc1CC1(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)CC1 584899217 UKKBDJURRRCRPC-HXUWFJFHSA-N 371.525 2.558 0 50 FFAA Cc1ccc(C)c(OCCNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)c1 584896716 FCMNQZVWEKLYTO-SFHVURJKSA-N 373.497 2.869 0 50 FFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 1565512753 ZHVUQSGQFWLQJG-KBPBESRZSA-N 360.893 2.527 0 50 FFAA CC(C)C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)O 185312900 BFLMXRBWQZHGME-LPHOPBHVSA-N 360.498 2.945 0 50 FFAA Cc1cnc(C2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)s1 278209179 RBNPLVWAORJFBG-UHFFFAOYSA-N 372.494 2.703 0 50 FFAA CC(=O)NC1(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)CCCCC1 187239168 RKXNLJLFRYEFPN-UHFFFAOYSA-N 355.442 2.774 0 50 FFAA CC[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 188086265 YWVUEGJYJLNWBB-MAUKXSAKSA-N 360.502 2.921 0 50 FFAA O=C(Nc1nnc(C(F)F)s1)[C@H]1CCCN1C(=O)c1ccccc1 193928863 KDPJYEKWBHGNJO-SNVBAGLBSA-N 352.366 2.719 0 50 FFAA CN(C)[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 194934726 HANXRQBTSLYUMR-HXUWFJFHSA-N 365.477 2.710 0 50 FFAA CC(=O)N(C)C1CCN(C(=O)c2ccc(OCc3ccccc3)nc2)CC1 195489868 JWAMOCZNCFJWES-UHFFFAOYSA-N 367.449 2.744 0 50 FFAA Cc1cccc(-c2ncc(CN3C[C@H](Cc4cc(C)no4)[C@@H](O)C3)cn2)c1 1615735980 IZTMJQSNYZVCRF-ICSRJNTNSA-N 364.449 2.784 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2O)on1 1529090945 KXZJWHFCLMJLFH-DOMZBBRYSA-N 354.328 2.677 0 50 FFAA Cc1ccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c(C)c1 5750380 LOMUSSBYKUENKP-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA Cc1ccn(CC(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)n1 11945030 OMFLTHDTLZCUJT-SFHVURJKSA-N 372.488 2.744 0 50 FFAA COCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccc3C(=O)OC)c2O1 12042153 NNKIIUFPZLSOHF-OAHLLOKOSA-N 369.417 2.515 0 50 FFAA C[C@H](CNC(=O)c1cccnc1)Oc1cccc(CN2CCSCC2)c1 15009182 NIGUQLXLJVOGNS-MRXNPFEDSA-N 371.506 2.828 0 50 FFAA CC(=O)N1CCC(N[C@@H]2CC(=O)N(Cc3cccc4ccccc34)C2)CC1 15062827 MLXOGEJRYIJDKN-HXUWFJFHSA-N 365.477 2.541 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCc3csc(C)n3)nc2)C1 15065856 KKWFCAQIYNWEDB-CQSZACIVSA-N 360.483 2.957 0 50 FFAA CNS(=O)(=O)c1cc(-c2ccc(N3CCC[C@H](C)C3)nn2)ccc1C 16652271 RINSIYBVCNERCF-ZDUSSCGKSA-N 360.483 2.596 0 50 FFAA Cc1cc(C)nc(SCc2ccc(C(=O)N3CCc4[nH]ncc4C3)o2)n1 19811733 ICWIBOARHONOPQ-UHFFFAOYSA-N 369.450 2.900 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCC(Oc2cccnc2)CC1 19837130 BWVUYDMBFZJFSQ-UHFFFAOYSA-N 352.438 2.760 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C2 1857675306 SAAFTMLUMPEGBF-INIZCTEOSA-N 356.344 2.691 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cnc(C3CC3)nc1)CC2 1857708271 YTPQZCLBDGHJIZ-UHFFFAOYSA-N 373.460 2.996 0 50 FFAA COCC1(C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)CCC1 1857712295 UXDWPRNQAUMUST-UHFFFAOYSA-N 353.466 2.831 0 50 FFAA O=C1CCOC2(CCN(Cc3ccccc3)CC2)CN1CC[C@H]1CCOC1 1857734555 VJFGKYKHZQRHIS-FQEVSTJZSA-N 372.509 2.697 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 122743409 DBUPVBCRYQFTNT-MNOVXSKESA-N 353.300 2.729 0 50 FFAA NC[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)C1 333692888 PXAPJJOAENSFIF-HZSPNIEDSA-N 363.424 2.504 0 50 FFAA C[C@H](NCCOc1ccc(I)cc1)c1cn(C)cn1 926367237 KWPHNNBIOIDUKA-NSHDSACASA-N 371.222 2.754 0 50 FFAA COC[C@]1(CO)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 829377704 VKLRLHVDNWTDHU-HXUWFJFHSA-N 350.422 2.527 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCC2(C)CCOCC2)(c2ccccc2)CC1 847556118 QNBVNEVYTLMWCK-UHFFFAOYSA-N 370.493 2.666 0 50 FFAA Cc1ccccc1OCc1nnc(SCC(N)=O)n1-c1ccccc1 786920 DRZJLOOZLBTLAL-UHFFFAOYSA-N 354.435 2.732 0 50 FFAA Cc1cc(N2CCN(C3CCN(C(C)C)CC3)CC2)nc(C(F)F)n1 2325805123 QMEDWMACBFWDKF-UHFFFAOYSA-N 353.461 2.717 0 50 FFAA COc1c(C)cnc(CN(C)C[C@H](O)CC2(C(=O)O)CCCC2)c1C 2325806743 DHVXZABNHIQOCM-OAHLLOKOSA-N 350.459 2.535 0 50 FFAA O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2cccn2c(O)n1 2325859649 FIKRBDHWNMIJAF-GOSISDBHSA-N 350.422 2.607 0 50 FFAA Oc1nc2ccc(NC[C@H](O)COc3ccccc3OC(F)F)cc2o1 2325862537 XRVKBAGDIBWUNZ-NSHDSACASA-N 366.320 2.987 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc3c(cc2SC)OCCO3)C1 2325888536 BMQFPRUQSUULBB-LBPRGKRZSA-N 362.451 2.543 0 50 FFAA Cc1ccc2c(Cl)c(C(=O)Nc3cc(=O)n(C)c(=O)n3C)sc2c1 670401 OSMJORONXHKMER-UHFFFAOYSA-N 363.826 2.513 0 50 FFAA Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)c(C)c1 755506 TVXRKHHHBDJAKC-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccccc1Cl 843930 BTPILFQREXYLPY-ZDUSSCGKSA-N 361.781 2.859 0 50 FFAA CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 1060961 PQAVQGMIKIGORZ-UHFFFAOYSA-N 360.468 2.853 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 1065489 PJBPGJYVRBOYKK-JTQLQIEISA-N 356.806 2.785 0 50 FFAA CCOc1ccc(N([C@H](C)C(=O)Nc2ccccc2)S(C)(=O)=O)cc1 1150918 YYGHWNBLJYRKMY-CQSZACIVSA-N 362.451 2.879 0 50 FFAA Cc1noc(C)c1Cc1nnc2n1[C@@H](C)C(=O)N(Cc1cccc(F)c1)C2 2356145757 VBNKUWBXMVZDGU-LBPRGKRZSA-N 369.400 2.716 0 50 FFAA CN(c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1)S(C)(=O)=O 106237673 BUNPYLMMJNJGCY-ZIBATOQPSA-N 356.875 2.654 0 50 FFAA COc1c(C)cnc(CN(C)c2cc(C3CCNCC3)nc(C)n2)c1C 67974719 GTEXCHICFWLRCW-UHFFFAOYSA-N 355.486 2.909 0 50 FFAA CCOc1ccc(C(=O)CCC(=O)NCc2n[nH]c3c2CCC3)cc1C 67946280 PAZUKHRGLPPESP-UHFFFAOYSA-N 355.438 2.885 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 67805288 GDKPJDRSIGFKHW-ZDUSSCGKSA-N 359.474 2.611 0 50 FFAA Cc1cc(N(C)Cc2nc3ccsc3c(=O)[nH]2)nc(-c2cccnc2)n1 67724725 QMEQIVFTMOPVPP-UHFFFAOYSA-N 364.434 2.781 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363659302 IBZWVBFIOLSFPN-UONOGXRCSA-N 365.905 2.833 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)CCc2cn3ccccc3n2)c1C 65369927 JOMCZZNOJPLJNB-UHFFFAOYSA-N 352.438 2.946 0 50 FFAA Cc1nc(C2(NC[C@H](O)Cc3ccccc3C(F)(F)F)CCC2)no1 120293122 QDXSMMAIPYFMKZ-CYBMUJFWSA-N 355.360 2.969 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F 11821468 VRRKAUJWUUCSIA-INIZCTEOSA-N 357.385 2.640 0 50 FFAA CCN(CC)c1ccc(CNC(=O)NC[C@]2(O)CCc3ccccc32)cn1 121400143 IPOBLAZQPLFKCT-OAQYLSRUSA-N 368.481 2.561 0 50 FFAA CCn1ncc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)c1C 2804646 KLSRLYRSVBSSAP-UHFFFAOYSA-N 359.455 2.565 0 50 FFAA Cc1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)nn1 72430097 JQZNLDKHOGMEOE-RBUKOAKNSA-N 350.466 2.845 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2scnc2C)CC1 328627288 GAHBVUVUVAANLB-QGZVFWFLSA-N 359.499 2.645 0 50 FFAA Cc1cccc(CN2CCN(C(=O)CCc3cn4ccccc4n3)CC2)c1 72463409 BSUZONZSHYOFQG-UHFFFAOYSA-N 362.477 2.920 0 50 FFAA CCc1cc(N(C)CC2CCN(CCOC)CC2)n2nc(C)c(C)c2n1 72407746 IVCZZKLXGXDBTO-UHFFFAOYSA-N 359.518 2.703 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 331280362 KLUMJPBMIVFNKL-OWRWGESLSA-N 361.408 2.740 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(Cc2cccc(OC)c2)CC1 77439261 JKGZIXAVGDIKFR-UHFFFAOYSA-N 357.502 2.748 0 50 FFAA C[C@H](N)[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 156406784 SDTQAMXSDXWOIZ-GJZGRUSLSA-N 350.890 2.974 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3ccccc3C(F)(F)F)cnc21 77454779 FHBXILRNHXFGLY-UHFFFAOYSA-N 363.343 2.982 0 50 FFAA Cc1cc(CC(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)n[nH]1 331675070 VGUIAEPSNJIYTI-NSHDSACASA-N 357.336 2.502 0 50 FFAA Cn1ncc2c(NCc3ccc4nonc4c3)nc(-c3ccncc3)nc21 72480696 AKUDJIDUPKNJCS-UHFFFAOYSA-N 358.365 2.574 0 50 FFAA CO[C@H]1CCCN(c2nc(C)nc3c2CCN(Cc2ccco2)CC3)C1 72411903 AUWJCVISECIVHP-INIZCTEOSA-N 356.470 2.594 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3cc(N)ccn3)C2)CCC1=O 77341309 QGXNCMPJWIBEJX-HXUWFJFHSA-N 358.486 2.555 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c(=O)[nH]1 129762279 JCSNMMCJJAGJIS-KRWDZBQOSA-N 367.449 2.882 0 50 FFAA c1cc(CN2CCC(c3nnc4n3CCCCC4)CC2)c2nonc2c1 72149567 LDIDEWIGGASVIV-UHFFFAOYSA-N 352.442 2.920 0 50 FFAA Cc1cc(C)n([C@H]2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)n1 72133253 QOKJVKDETLREQC-IBGZPJMESA-N 365.481 2.745 0 50 FFAA Cn1nccc1[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333538300 RMELONRLPHPNCR-RDTXWAMCSA-N 355.442 2.736 0 50 FFAA CN(CCc1ccccc1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 72130696 IZVHDLYTLGUOLL-UHFFFAOYSA-N 356.376 2.919 0 50 FFAA Cc1noc(C)c1CC(=O)NCc1cccnc1-n1cnc2ccccc21 15074626 RKILHQVZHFVRHE-UHFFFAOYSA-N 361.405 2.884 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)cnn1-c1cccc(C(F)(F)F)c1 237763119 PVCVNGJRRMVNOA-LLVKDONJSA-N 367.327 2.746 0 50 FFAA Cc1nc(CCNc2cc(-c3ccccc3F)nc3ccnn23)cc(=O)[nH]1 72418917 BYDZUAWTFJYBAX-UHFFFAOYSA-N 364.384 2.582 0 50 FFAA CN(C(=O)c1ccc2nc(S)oc2c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 129824336 QSLZAEORGQCJSO-JSGCOSHPSA-N 368.480 2.544 0 50 FFAA O=C(CCCOc1ccccc1)N1CCCN(C(=O)c2ccco2)CC1 75034851 FVLPVJXJUZXUNT-UHFFFAOYSA-N 356.422 2.813 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)Cc1ccccc1F 284475878 ANXXCSLGXCAMCL-OXJNMPFZSA-N 358.461 2.643 0 50 FFAA NC(=O)c1cccnc1N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 72150100 OHCBXCBWDBZYLE-OAQYLSRUSA-N 368.456 2.812 0 50 FFAA CN1CCC[C@@H](CNc2nccc(C(F)(F)F)n2)[C@@H]1c1ccnn1C 284887998 NSQRFVZMDVGUSB-SMDDNHRTSA-N 354.380 2.724 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)C3(N4CCCC4)CCCC3)C2)CCC1=O 82109528 BORUNAXUQORTEC-HXUWFJFHSA-N 361.530 2.646 0 50 FFAA CC[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2ON1c1ccccc1 138629319 AJCJNWXPVDJBKE-FGTMMUONSA-N 352.390 2.784 0 50 FFAA CCC(=O)NCc1ccccc1-c1ccc(C(=O)N2CCN(C)CC2)cc1 426551315 OQWKWKLIQUXAIO-UHFFFAOYSA-N 365.477 2.767 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1nc(-c2ccccc2)[nH]c1C 82160787 ZWNVBIAMMYFALQ-MRXNPFEDSA-N 354.454 2.858 0 50 FFAA Cc1cccc(-c2ccc(C(=O)N3CCC[C@](O)(CN(C)C)C3)cc2)n1 426428784 NHEMCTMFGFPKDC-NRFANRHFSA-N 353.466 2.586 0 50 FFAA O=C(NCCCn1nccc1C1CC1)c1cc(-c2ccc(O)cc2)n[nH]1 95385478 COYQTKVJRMABDT-UHFFFAOYSA-N 351.410 2.676 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)NC2Cc3ccccc3C2)c1 96163395 GRUOJVRXRKZLEJ-UHFFFAOYSA-N 353.422 2.869 0 50 FFAA CC1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2F)(C(=O)O)CC1 236814388 ABWVDXILOIRTIY-UHFFFAOYSA-N 362.401 2.716 0 50 FFAA Nc1nc(CCC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cs1 97570726 CKIOHICCDAEAPQ-UHFFFAOYSA-N 371.441 2.584 0 50 FFAA O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)Nc1cccc2ccccc12 239425774 VFTCQLINGWUEGR-BOPXGEFASA-N 365.385 2.519 0 50 FFAA COCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)no1 95503444 OYGYHQKWFKKVBF-QGZVFWFLSA-N 356.470 2.670 0 50 FFAA CC(C)NC(=O)CCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 95379459 VAIUCXKGOTXCPZ-LJQANCHMSA-N 371.525 2.629 0 50 FFAA COc1ccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(OC)c1 91745429 BJWHYPDZAHGQLP-ZWKOTPCHSA-N 369.417 2.573 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccoc4)C3)CCC2=O)cn1 91707196 GUWOHQICMPTPDB-FQEVSTJZSA-N 354.454 2.783 0 50 FFAA Cc1cccc([C@@H](C(=O)NCCn2nc(C(F)(F)F)cc2C)N(C)C)c1 95356677 ADPUQNSVLDHXCR-INIZCTEOSA-N 368.403 2.938 0 50 FFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4c3COCC4)C2)cc1 244700940 JWVGSGVFRKUKNO-HNNXBMFYSA-N 355.438 2.722 0 50 FFAA O=C(O)CCCOc1ccc(CNC(=O)c2ncoc2[C@@H]2CCCO2)cc1 299747318 CPHYVIDUVVKEJC-HNNXBMFYSA-N 374.393 2.700 0 50 FFAA CCN(C)C1(CNC(=O)N2CCN(c3ccncc3C)CC2)CCCCC1 534588378 CDBDPRZCZVAHPM-UHFFFAOYSA-N 373.545 2.876 0 50 FFAA Cc1cc(C)nc(CNC(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)n1 534658946 ZOQYDESEYJGVNC-UHFFFAOYSA-N 362.437 2.546 0 50 FFAA CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1cc(C)ccn1 299767662 JGSJCWMDFDQFQE-INIZCTEOSA-N 361.467 2.667 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1OC(F)F 299801013 UTEMZTIQHZQNIY-CQSZACIVSA-N 354.397 2.661 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(-n2cnnc2)c1 299797746 CCKIVKWASCRENS-MRXNPFEDSA-N 353.430 2.700 0 50 FFAA Cc1ccc(C2(C(=O)N[C@H]3CCOC[C@@H]3OCc3cscn3)CC2)cc1 1565511196 LPUVBWWOIBAEHY-ROUUACIJSA-N 372.490 2.974 0 50 FFAA Cc1ccc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)cc1F 1565516309 VURZRJCYVGRYJR-RXVVDRJESA-N 360.473 2.720 0 50 FFAA Cc1nscc1C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 275246075 GPAWOYPDWLWXLD-CYBMUJFWSA-N 350.444 2.856 0 50 FFAA Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@]2(C)CCCC[C@@H]2O)c1 170651961 IMOIPIBBUSACHP-HNAYVOBHSA-N 374.510 2.600 0 50 FFAA Cc1nnc(S)n1CCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 170644583 QJLDZYGTAQZLHG-OLZOCXBDSA-N 370.400 2.814 0 50 FFAA C[C@H](C1CC1)n1cc(NC(=O)N2CCN(Cc3ccncc3)CC2)cn1 189807974 BZOLTMNOVABREN-OAHLLOKOSA-N 354.458 2.599 0 50 FFAA CC[C@]1(CO)CCCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 190298093 ZMJQEGMONUTPCU-FQEVSTJZSA-N 360.498 2.929 0 50 FFAA Cc1nc([C@H](NC(=O)c2cc(N3CCCC3)ccn2)c2ccccc2)n[nH]1 194567639 CFNRAISWUYKTNL-GOSISDBHSA-N 362.437 2.628 0 50 FFAA COc1cccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1C 1613882031 UYNOIKBVYNHFDJ-ICSRJNTNSA-N 366.461 2.902 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@H](N(C)C)CC1 1506398788 UKMUMUXJISUFKX-ZDUSSCGKSA-N 369.512 2.816 0 50 FFAA Cc1ccc([C@H](C)CCN2CCCN(C(=O)Cn3ccnc3C)CC2)o1 1529174311 TVAADZOPCQGQIB-MRXNPFEDSA-N 358.486 2.821 0 50 FFAA Cc1cc(CC(=O)N2CCCN(C(=O)c3cc4ccccc4o3)CC2)on1 1704302430 KQOGEWDJEMMCBC-UHFFFAOYSA-N 367.405 2.646 0 50 FFAA CCOCCC(=O)N1CCCN(C(=O)C2(c3ccc(C)cc3)CC2)CC1 1772710926 XFRBCTXOAZXZKZ-UHFFFAOYSA-N 358.482 2.514 0 50 FFAA CCOc1ccc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1OC 1772703801 JLPDWCSFEHEJQT-SFHVURJKSA-N 354.450 2.637 0 50 FFAA C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)N1CCCC1 11692476 MCFPJRJZAZXNRR-CQSZACIVSA-N 366.421 2.743 0 50 FFAA COc1cccc(CN2C[C@@H](OCC3CC3)CN(CC3CC3)CC2=O)c1 14531565 RGLWUWLKHQLAHL-FQEVSTJZSA-N 358.482 2.545 0 50 FFAA CC(C)N1CCC(N2CCC[C@@H](C(=O)NCCOc3ccccc3)C2)CC1 14957889 KJHXBBSDCFPZFQ-LJQANCHMSA-N 373.541 2.766 0 50 FFAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@@H]1c1ccccn1 15063959 HSPZQALWIAENIB-GOSISDBHSA-N 351.385 2.838 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@@H]2NCc1nc(-c2ccccc2)no1 15073441 UPNWPPDKKWPRKC-HNNXBMFYSA-N 350.426 2.760 0 50 FFAA C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CCN1c1ccc(F)cn1 1857680287 JSWMSEMRXFFBKL-CQSZACIVSA-N 371.412 2.619 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@H](N2CCCCCC2)[C@@H](O)C1 216399633 XUVDZYOUCNKUBU-OALUTQOASA-N 368.481 2.528 0 50 FFAA CC[C@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)C[C@H]1O 332138474 LPNGNSQXFBNATM-JOYOIKCWSA-N 370.787 2.701 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2c(c1)CCC2 248066619 XBQKKFTVNZLYMJ-UZLBHIALSA-N 364.493 2.943 0 50 FFAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CC[C@H](CO)[C@@H](O)C1 1875261186 UIRBXAKZPJCCHQ-DYVFJYSZSA-N 368.458 2.779 0 50 FFAA C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CCC2 1875310346 MYYLSWFTWFVRKC-IFXJQAMLSA-N 352.434 2.856 0 50 FFAA Cn1nccc1[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccnc1 1875342483 UBUAEMIDJDLTAT-IBGZPJMESA-N 358.405 2.725 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)c1 1875368758 NZSSNCCGJYIDND-AVRWGWEMSA-N 361.467 2.626 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)[nH]1 888100774 RBHODWPCQUJIPK-AUUYWEPGSA-N 355.442 2.556 0 50 FFAA CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 810324 RFTOISAAJVMMCP-QGZVFWFLSA-N 352.434 2.927 0 50 FFAA Cn1cc(-c2ncc(C(=O)N3C[C@@H](CCN)c4ccccc43)s2)cn1 2325768863 ZDOFELXYCOZZIR-GFCCVEGCSA-N 353.451 2.636 0 50 FFAA Cc1ccc([C@H](N)CNC(=O)c2cccn3c(Br)cnc23)cc1 2325857014 MCGNBQGSUMFMRF-CQSZACIVSA-N 373.254 2.835 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@]3(CCCC[C@@H]3O)C2)cc1 2325889942 FLLBERRJNLIUHC-GHTZIAJQSA-N 356.466 2.993 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 991972 KXRPFFCDSXNBKX-AWEZNQCLSA-N 371.364 2.613 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 1118445 XPYLTUQBRNCAJS-UHFFFAOYSA-N 368.405 2.932 0 50 FFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1187159 RCCXVWUMNGREEX-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA COc1ccc([C@@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc1 2108815 KXRRKYGMAAQGAG-GOEBONIOSA-N 353.422 2.989 0 50 FFAA biogenic CC(C)[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583275 LYRGLIQVUMAZJU-RBUKOAKNSA-N 369.417 2.995 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc21 4954036 JUHLFTPFVJGLMP-UHFFFAOYSA-N 356.447 2.737 0 50 FFAA O=C(CN1[C@H]2CC[C@H]1CC(O)C2)Nc1nc(-c2ccc(F)cc2)cs1 111321491 KTQRJBLBZZEWQX-KBPBESRZSA-N 361.442 2.875 0 50 FFAA Cn1cc([C@H]2CCN(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)C2)cn1 116521041 HMFFMWYVOYLIKU-WMZOPIPTSA-N 371.485 2.739 0 50 FFAA C[C@@H](c1cccc(-c2cc(N3CCOCC3)nc(N)n2)c1)N1CCCC1 65372423 HRIPSDGHCYDWAW-HNNXBMFYSA-N 353.470 2.719 0 50 FFAA Cc1cc([C@H]2CCCN2Cc2cc3cc4c(cc3[nH]c2=O)OCO4)on1 67515264 COJWIOZLTQXOTE-OAHLLOKOSA-N 353.378 2.890 0 50 FFAA Cc1csc2ncnc(N3CCC(Cn4cc(C(C)(C)O)nn4)CC3)c12 63882355 FAHLWMLWCAAOAQ-UHFFFAOYSA-N 372.498 2.735 0 50 FFAA C[C@@H](Oc1cccnc1)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 117788640 KBTKYRHWEJUGOS-IEBWSBKVSA-N 353.466 2.530 0 50 FFAA Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)NCc1ccccc1-n1cccn1 65404497 GEIHHPBRVXZQBG-KRWDZBQOSA-N 360.417 2.923 0 50 FFAA CC(C)CCN1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO 23374003 DAWBALZFMIMGAU-FQEVSTJZSA-N 363.546 2.659 0 50 FFAA CN(CCC(=O)NC1CCCCCC1)Cc1nc(-c2ccncc2)no1 65507187 FCZAINQNDJTDBG-UHFFFAOYSA-N 357.458 2.793 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)c3ccccc3)n2)cc1OC 38790865 JXEJHAPIAPYGAZ-UHFFFAOYSA-N 350.374 2.810 0 50 FFAA CN(C)C(=O)c1cccc(NC(=O)CN2CC[C@H](C(F)(F)F)C2(C)C)c1 252522980 BOSNSZVZPBYTCE-AWEZNQCLSA-N 371.403 2.990 0 50 FFAA COCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 30864264 JFSJKONJMVQDQC-LJQANCHMSA-N 370.449 2.677 0 50 FFAA O=C(CSc1ccncc1)N1CCc2nc(-c3cccnc3)[nH]c2C1 216175278 CWHDFBXLVHDOJI-UHFFFAOYSA-N 351.435 2.544 0 50 FFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCC(CCn2cccn2)CC1 77522676 CSCAMXZPYGPNLD-UHFFFAOYSA-N 366.465 2.952 0 50 FFAA C[C@@H](Cc1cccs1)NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 152227316 AZCVVIBZNLSGRA-GJZGRUSLSA-N 359.499 2.780 0 50 FFAA Cc1cc(N2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)cc(C)n1 72429426 UUDZTZBFARHFND-UHFFFAOYSA-N 360.465 2.873 0 50 FFAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc(N2CCCC2)cc1 219665050 FSYTYSSCHPUMKN-PMACEKPBSA-N 358.482 2.848 0 50 FFAA COc1cccc(-c2ccc(C(=O)NCCS(=O)(=O)C(C)C)o2)c1 216304967 IBDLYTJHBRVAMP-UHFFFAOYSA-N 351.424 2.508 0 50 FFAA Cc1ccc(OCCS(=O)(=O)N[C@H]2CC[C@H]2NC2CCCCC2)cc1 72410747 KJUJYXJELDPAPG-MOPGFXCFSA-N 366.527 2.747 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccc1NC(=O)CC(C)C 172743065 JOYGHZDGVAMFQA-GOSISDBHSA-N 371.481 2.863 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H](C(=O)O)c1cccs1 448994282 OLXRVAMWTZYJSH-QAPCUYQASA-N 372.446 2.526 0 50 FFAA O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@@H]1CCn1cccn1 77472307 VZXXSRMYDPGXJH-CQSZACIVSA-N 355.410 2.795 0 50 FFAA O=C(c1ccc(-n2cnnc2)nc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72420137 LYWLLPANZWPNRH-HNNXBMFYSA-N 373.420 2.558 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)CC2)ccn1 77523661 XUJKFWRXDBUVPK-AWEZNQCLSA-N 353.470 2.590 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCc3n[nH]c(C)c3C)C2)c1 77357779 LNFREPNZFZKMJS-HNNXBMFYSA-N 357.454 2.992 0 50 FFAA OCc1ccc(O[C@@H]2CCOC[C@H]2Nc2ncnc3ccsc23)cc1 223201463 PJSJBVDYVNGKLJ-HZPDHXFCSA-N 357.435 2.832 0 50 FFAA C[C@@H](NC(=O)NCCN1CCNCC1)c1ccc(-c2ccccc2)cc1 426701715 VADUGMLOGDLEHT-QGZVFWFLSA-N 352.482 2.619 0 50 FFAA CCCNC(=O)C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 91270397 AWLWGWOVYNHQQF-KRWDZBQOSA-N 368.481 2.837 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H](c3ccccc3F)N(C)C)CC2)n1 91575206 MLNCVKITQNFSLI-GOSISDBHSA-N 358.461 2.838 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)NCc3cc(CC(C)C)no3)ccc21 96163186 WQLOXRVVFVYIAF-UHFFFAOYSA-N 372.425 2.940 0 50 FFAA COCCc1noc(CN2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n1 92038645 FSGDRFYGEGEEGR-HXUWFJFHSA-N 373.453 2.832 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 426701399 JXIQOAVNAZFMDT-UHFFFAOYSA-N 366.421 2.831 0 50 FFAA CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91665100 VVHNEDBJNVSLDV-DOTOQJQBSA-N 366.465 2.739 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n[nH]1 92098209 XDKFQOQSXIBSFC-AWEZNQCLSA-N 352.442 2.637 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCc1cccc(OC)c1OC)C2 92066368 FHKXXWCAKDWSAS-MRXNPFEDSA-N 371.433 2.622 0 50 FFAA CSCCc1nc([C@@H]2CNC(=O)C2)n(-c2ccc(F)c(Cl)c2)n1 96150019 WKDAKLLJUYGYPL-VIFPVBQESA-N 354.838 2.569 0 50 FFAA CC[C@H](O)Cn1nc(CC(N)=O)nc1-c1ccccc1Oc1ccccc1 96131048 PTDQERSZDWLTSN-AWEZNQCLSA-N 366.421 2.536 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 95370894 UJPIWLHBYWVUMZ-SFHVURJKSA-N 369.513 2.531 0 50 FFAA CCc1cc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)on1 95506355 LLKMGXKMZZWQMO-AWEZNQCLSA-N 371.437 2.608 0 50 FFAA O=C(c1ccc2cccnc2c1)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96163003 GHSNEOMQAXUGSB-VGOFRKELSA-N 374.396 2.938 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC3(CCC(=O)N(C)C3)CC2)c1 91364769 IEKZAUCPMPWYCR-SFHVURJKSA-N 371.525 2.815 0 50 FFAA O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](Cc2cccc(CO)c2)C1 91713863 QGOLPTWQELWWAK-MRXNPFEDSA-N 363.413 2.990 0 50 FFAA CN1C[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)NC1=O 91320771 VLFOWDKDYOGEMG-LJQANCHMSA-N 363.461 2.619 0 50 FFAA Cc1sc2ccccc2c1CN1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91779959 UCVSMDSUMRWZQG-FQEVSTJZSA-N 357.523 2.996 0 50 FFAA Cc1ccnn1CC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 95522519 FJGZTIJYEPWDML-UHFFFAOYSA-N 363.465 2.843 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 95390920 BRKLMTFELVQVAP-CYBMUJFWSA-N 358.408 2.920 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(N2CCCC2=O)ccc1F 299748984 ITGQBULXBUWDHJ-VUCTXSBTSA-N 374.412 2.810 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 184050773 VWVSNNFPKWBMLB-CYBMUJFWSA-N 359.445 2.865 0 50 FFAA Nc1nc(N2CCC(Cc3ccc(F)cc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 252535878 HBNJLWUKLGMXDF-WOVMCDHWSA-N 355.461 2.862 0 50 FFAA N=c1cc[nH]c(-c2ccc(C(=O)NC[C@H]3CCN(C4CCCC4)C3)cc2)n1 534675362 JEFIBARLSWBXEU-OAHLLOKOSA-N 365.481 2.550 0 50 FFAA COc1cc(C)c(-c2ccc(C(=O)NC[C@]3(O)CCCNC3)cc2)cc1C 534576645 JZBHGWUZNRVAPG-QFIPXVFZSA-N 368.477 2.823 0 50 FFAA Cc1cc2cc(NC(=O)C3CCC(C(=O)N(C)C)CC3)ccc2n(C)c1=O 1328480673 MZKNBFZESLGXHM-UHFFFAOYSA-N 369.465 2.680 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1cccc(-c2ccc(OC)c(F)c2)c1 299788138 QGVHGTJETLSDJK-UHFFFAOYSA-N 365.426 2.666 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 299768576 PGPDWOIODOEEAI-SNVBAGLBSA-N 357.391 2.950 0 50 FFAA CC[C@H]1C=CCN1C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 299767166 GRALQDCLUPLVRS-KRWDZBQOSA-N 372.465 2.733 0 50 FFAA O=C(O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCOCC1 299796575 OVBCJIPGUSJEML-FUHWJXTLSA-N 366.889 2.728 0 50 FFAA O=C(NCc1cnc2c(c1)CCC2)N1CCC[C@@H](OCc2ccccn2)C1 584892832 NEDMQUJMUUFCIW-LJQANCHMSA-N 366.465 2.856 0 50 FFAA CC(C)(O)c1cncc(-c2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2)c1 584889079 VLSPNJSZPIKKKU-FQEVSTJZSA-N 365.477 2.800 0 50 FFAA COc1ccc(OC[C@H](O)CNC(=O)NC2(c3cccc(C)c3)CC2)cc1 584887822 LQEHNRKKXARUQB-QGZVFWFLSA-N 370.449 2.732 0 50 FFAA O=C(NCCCc1ccccc1F)C1CCN(C(=O)c2ccncc2)CC1 670462603 XWIBQJCUCDXDSJ-UHFFFAOYSA-N 369.440 2.822 0 50 FFAA COCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC(=O)OC12CCCC2 952984784 RVUKBDOBQUTESP-KRWDZBQOSA-N 361.438 2.546 0 50 FFAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cccc3cccc(Cl)c23)C1 952980824 IRVFEIIMQWXHMO-ZDUSSCGKSA-N 366.870 2.640 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCc2cccc(NC(=O)OC(C)(C)C)c21 907484173 ZAUDGMRXIHJKOP-UHFFFAOYSA-N 373.453 2.957 0 50 FFAA Cc1ccc(C)c(OCC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1C 1616078742 ATFPISOEKPSUKK-OALUTQOASA-N 354.450 2.760 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)[C@@H](N)c2ccccc2)CC1 1506398791 XKYXVQZYJGSPHZ-NRFANRHFSA-N 366.509 2.637 0 50 FFAA O[C@H]1CCCN(c2ccnc(NCc3coc(-c4ccccc4)n3)n2)C1 1529168996 PROSTENCMHQGFW-INIZCTEOSA-N 351.410 2.705 0 50 FFAA O=C(O)c1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)s1 210290614 WELPHCMTGGZFAM-KGLIPLIRSA-N 361.419 2.525 0 50 FFAA O=C([C@H]1CCCCN1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704357054 BIGVCYVNHUAZQY-GOSISDBHSA-N 353.466 2.700 0 50 FFAA Cc1cc(C(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)nn1C 11874217 WRTSVFYPOAQVHO-LJQANCHMSA-N 354.498 2.755 0 50 FFAA COc1ccc(/C=C/CN2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)cc1 11981061 JGHAKYCNUPFBML-YADGQWAMSA-N 358.482 2.858 0 50 FFAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3cc(C)ccc3C)CC2)O1 11975532 XRBSXQWEUAOHOC-LJQANCHMSA-N 360.498 2.580 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@H](C)c3cnn(C)c3C)no2)c1 12090234 MFOBYFILMBKGMX-GFCCVEGCSA-N 370.409 2.795 0 50 FFAA CCc1nc(C)c(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)[nH]1 12301735 WYFLPNKAPXOAGS-QGZVFWFLSA-N 362.518 2.568 0 50 FFAA COc1ncccc1C(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 12373782 ASODEZBJPZVJBY-GOSISDBHSA-N 353.466 2.917 0 50 FFAA CN(CCc1ccccn1)[C@@H]1CCN(C/C=C/c2ccccc2)C[C@H]1O 12448540 RVZOILDTCIWIJN-FEQMTQHMSA-N 351.494 2.705 0 50 FFAA COC(=O)c1cc(C)sc1NC(=O)N1CCN(Cc2ccccn2)CC1 13325087 KCZGEHLSKHQCGA-UHFFFAOYSA-N 374.466 2.588 0 50 FFAA CCNC(=O)c1cn([C@H](C)CC)cc(C(=O)NCc2cccc(F)c2)c1=O 14879316 QJNMFVTXTWQXJH-CYBMUJFWSA-N 373.428 2.638 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1C 15061989 QWNBUHUPRHCDDF-QGZVFWFLSA-N 356.397 2.674 0 50 FFAA CC[C@@]1(C(=O)N2CCCN(C)CC2)C[C@@H]2CC[C@H]1N2C(=O)c1occc1C 1857668219 WJTKYLUCYGCWFJ-CSODHUTKSA-N 373.497 2.525 0 50 FFAA Cc1cnc(CN2C[C@H](C(=O)O)C3(CCN(Cc4ccccc4)CC3)C2)[nH]1 1857702781 CMVKLDFOICKLQQ-GOSISDBHSA-N 368.481 2.517 0 50 FFAA COc1ccc2c(O)c(C(=O)N3CCO[C@@H](c4ccco4)C3)cnc2c1 133249781 KTEOPAKTYLYZOB-QGZVFWFLSA-N 354.362 2.756 0 50 FFAA COC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 363436062 IYLDBMHBTBHTEO-HZMBPMFUSA-N 359.253 2.749 0 50 FFAA CC(C)n1ncc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)cnc21 262672004 XLJPKAAAGLAZHL-QGZVFWFLSA-N 364.405 2.664 0 50 FFAA C[C@@H](NC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1)c1ccccn1 952852717 JPJVDNLWSOKXDL-SXGZJXTBSA-N 353.470 2.608 0 50 FFAA COc1ccccc1[C@H]1CC[C@H](C)CN1c1ncnc2c1cnn2CCO 1875256943 GLQBPOMTRSBZTB-WMLDXEAASA-N 367.453 2.805 0 50 FFAA COC(=O)[C@H]1c2c[nH]nc2CN1C(=O)[C@H](C)Oc1ccc2ccccc2c1 1875295736 PCRNPNXEXPDXES-KPZWWZAWSA-N 365.389 2.587 0 50 FFAA C[C@@H]1CN(C(=O)c2cc3ccc(Cl)c(F)c3[nH]2)C[C@]2(CCOC2)O1 1875274297 FOQMRCGASAZCKH-QGHHPUGFSA-N 352.793 2.980 0 50 FFAA COC(=O)[C@@]1(F)CCN(C(=O)c2nc(C)sc2-c2ccc(F)cc2)C1 1875280506 PZZQEDVSUAGBKZ-QGZVFWFLSA-N 366.389 2.985 0 50 FFAA COc1ccc2cccnc2c1CNC(=O)Nc1ccc(C(N)=O)c(F)c1 1875333365 PYJIPLJYFPKVCN-UHFFFAOYSA-N 368.368 2.803 0 50 FFAA CON1CCC(CC(=O)N2CCC3(CC2)Cc2cc(F)ccc2C3=O)CC1 1875312647 HTRRICHYJXALAK-UHFFFAOYSA-N 374.456 2.837 0 50 FFAA Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 4911011 XTISNKFCNUFQAG-UHFFFAOYSA-N 358.467 2.777 0 50 FFAA Cc1nc2c(c(S(=O)(=O)NCc3ccccc3)nn2C)c(C)c1Cl 6668327 XWUPBGLBIWJTQN-UHFFFAOYSA-N 364.858 2.717 0 50 FFAA CCCCn1nnnc1CNC(=O)Nc1ccccc1Cc1ccccn1 2325750255 MYVLLRZHHGWJOB-UHFFFAOYSA-N 365.441 2.781 0 50 FFAA CN(C)[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3O[C@]3(CCOC3)C2)C1 2325797441 XGTVZRPCNTYOLE-YRISNDGFSA-N 358.482 2.687 0 50 FFAA CC(C)C[C@H](NC(=O)CNC(=O)c1cccc2c1ccn2C(C)C)C(=O)O 2325877763 ZIUKIIDKFLLSHJ-INIZCTEOSA-N 373.453 2.568 0 50 FFAA CCOc1ccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)cc1 814363 RQQIGXBBYUJAIJ-HNNXBMFYSA-N 350.378 2.898 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccccc1F 827654 XPXNQGPSDOUGQD-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 1067795 KWYVUCRCFFLRPX-UHFFFAOYSA-N 359.875 2.921 0 50 FFAA Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 1137506 YUNSPRWXPZHLDR-UHFFFAOYSA-N 374.871 2.821 0 50 FFAA CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 2905973 HDJODZBDQYXIHA-MRXNPFEDSA-N 360.479 2.792 0 50 FFAA c1ccc(-n2c(CC3CCNCC3)nnc2SC[C@H]2CCNC2)cc1 55340769 MXIMEXIEQWQCGY-INIZCTEOSA-N 357.527 2.511 0 50 FFAA COc1ccc(CCCN(C)c2cc(N3CCC[C@@H](CO)C3)ncn2)cc1 246335993 KUMBPVKDTYXHGK-GOSISDBHSA-N 370.497 2.763 0 50 FFAA Cc1csc(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 67755797 GIUHDERRMWXCST-CQSZACIVSA-N 355.467 2.705 0 50 FFAA Cc1ccc(OC[C@@H](O)CNc2nc(CCN)nc3ccccc23)c(C)c1 65395420 VMLBSSXEJLNXGH-INIZCTEOSA-N 366.465 2.600 0 50 FFAA CCc1nc(CN(C)C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)no1 67642496 KBSWSDWAHXCJCT-UHFFFAOYSA-N 364.409 2.630 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C)n3nc(C)cc3n2)C1 67885172 AECMGHNEWOLHQU-HNNXBMFYSA-N 352.442 2.651 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1C 67602022 RFXMQQUPOKSZQR-KRWDZBQOSA-N 352.500 2.624 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67654448 IQSCIBONHIDGAZ-HNNXBMFYSA-N 354.454 2.688 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 119153505 FNKJQCDXGAIWHJ-ULQDDVLXSA-N 359.532 2.929 0 50 FFAA Cc1ccoc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67589061 LZXSYIUILKDSKL-UHFFFAOYSA-N 366.421 2.557 0 50 FFAA O=C(CCNC(=O)c1coc2ccccc2c1=O)Nc1ccccc1F 67724554 DPNPFXFZXUPGJX-UHFFFAOYSA-N 354.337 2.691 0 50 FFAA O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)N1CCc2ccccc21 252572649 ZRIPRXJKKDKNPH-UHFFFAOYSA-N 355.360 2.560 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65455435 HSSCQKDMNHEXFP-VQTJNVASSA-N 354.450 2.544 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)Cc1csc(-c2cccc(F)c2)n1 120601843 ZSXGNCVQQMDCSO-OAHLLOKOSA-N 371.441 2.984 0 50 FFAA c1cncc(CN(Cc2nnc(-c3ccco3)o2)[C@H]2CN3CCC2CC3)c1 72119467 GTPIDZRTQAUFCT-KRWDZBQOSA-N 365.437 2.821 0 50 FFAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(F)cc1F 219316147 ARJRIUBOPGIBTR-IAGOWNOFSA-N 366.364 2.674 0 50 FFAA C[C@](O)(CCNC(=O)NCCc1ccc2c(c1)CCO2)c1ccccc1 253417016 ZSCKTFCIMPYZDD-NRFANRHFSA-N 354.450 2.761 0 50 FFAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)[C@H]1O 72169980 NLNNRUNRHAEFBB-MSOLQXFVSA-N 367.474 2.778 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn(Cc2ccn(C(C)C)n2)n1 172164138 ZQACSRBSRNOKMW-QGZVFWFLSA-N 367.457 2.626 0 50 FFAA O=C(O)C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1 71752689 POTJUBVCZQXKKM-UHFFFAOYSA-N 371.828 2.920 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1F 363152234 SMLNBCVLTVHOGH-HOCLYGCPSA-N 362.405 2.688 0 50 FFAA CC[C@H]1COCCN1C(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 77535011 ZUNZRAYLXGPNJH-JTQLQIEISA-N 374.388 2.907 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC(Oc3cccnc3)CC1)OCCO2 219639207 JUJGGIMPCCIKJJ-UHFFFAOYSA-N 354.406 2.845 0 50 FFAA C[C@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc2nc(O)oc2c1 332668022 YPXVTICOZBPZPA-WPRPVWTQSA-N 364.345 2.885 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4ccc(C(C)=O)cc4)ccc3n2n1 30875517 VFNIFCSICYWMDW-UHFFFAOYSA-N 365.418 2.743 0 50 FFAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCc1cnc(-c2ccccc2)s1 72410899 PFHFUSMCZWYIAQ-KRWDZBQOSA-N 370.522 2.500 0 50 FFAA CSCc1nc(CNC(=O)c2cc(=O)n(C)c3ccccc23)cs1 215614741 PUKCFDANTRQHNT-UHFFFAOYSA-N 359.476 2.788 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1 490909000 GANDGEGJFRWXJY-SNVBAGLBSA-N 356.323 2.993 0 50 FFAA C1CCC(c2nc3c(c(NCc4noc([C@H]5CCCO5)n4)n2)CNC3)C1 72167484 HOJFQAZMBPZXHO-CQSZACIVSA-N 356.430 2.584 0 50 FFAA CC(C)c1cc(N2CCC[C@@H](C(=O)c3nccn3C)C2)n2nccc2n1 72173812 DXMDRONFFKAKDG-CQSZACIVSA-N 352.442 2.686 0 50 FFAA CC(C)NC(=O)CCN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72407729 ZAVZKRXLAHHLLV-HMXCVIKNSA-N 359.489 2.602 0 50 FFAA C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCOC[C@H]2C)cc1 239869317 CYFJCCQTAADXIE-YESZJQIVSA-N 374.481 2.716 0 50 FFAA Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)O 237838227 ZWRISVSBBQISLR-QGZVFWFLSA-N 366.421 2.508 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)C[C@@H](C)n3ccnc3)cn2)c1 72474287 GYBNUTVJCINCRD-OAHLLOKOSA-N 353.426 2.687 0 50 FFAA CCCc1cn(CC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 48257860 ZGTIHCWZLNCSHW-UHFFFAOYSA-N 356.426 2.512 0 50 FFAA Cc1nccn1CCCNC(=O)N1CCCN(Cc2cccc(F)c2)CC1 426656819 BMKPTXJOXMXZHR-UHFFFAOYSA-N 373.476 2.638 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)NCCc3cnn(C)c3)C2)c1 426599038 XZEIZKCUDOLNTP-SFHVURJKSA-N 356.470 2.772 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)c1ncoc1C1CC1)[C@H]1C[C@H](O)C1 220013401 KOHZWXRTIXENAH-PVXIVEMSSA-N 360.385 2.942 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)N[C@H](C)Cn3cccn3)c2)n1 426490047 JKJGDLPUJPRMKU-MRXNPFEDSA-N 366.469 2.916 0 50 FFAA CC1(C)C[C@@]1(C(=O)NC1CCN(c2cnccn2)CC1)c1ccccc1 426724058 WFLQMNKGWDYYKO-NRFANRHFSA-N 350.466 2.930 0 50 FFAA Cc1cccc([C@H](C(=O)NCCn2nc(C(F)(F)F)cc2C)N(C)C)c1 95356678 ADPUQNSVLDHXCR-MRXNPFEDSA-N 368.403 2.938 0 50 FFAA CC(C)Nc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)ncn1 95501727 XHTWTEOHLOWYDX-UHFFFAOYSA-N 371.533 2.829 0 50 FFAA O=C(COc1ccc(F)cc1)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91574297 BGFLLHYNIUYUIV-OAQYLSRUSA-N 374.456 2.988 0 50 FFAA CC[C@@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91289329 KIJWHMZTZQJFHY-LJQANCHMSA-N 372.509 2.794 0 50 FFAA COc1ccnc(CN2C[C@@H](C(=O)O)[C@H](c3ccc(F)cc3)C2)c1OC 91625505 OGNVDWWDZXWFNM-LSDHHAIUSA-N 360.385 2.538 0 50 FFAA COCCn1cnnc1[C@H](C)NC(=O)c1[nH]c2c(C)cc(C)cc2c1C 91677934 BAPPDFUVQQRJFO-AWEZNQCLSA-N 355.442 2.822 0 50 FFAA COc1ccccc1-c1cc(C(=O)N2CCC(c3ncc[nH]3)CC2)n[nH]1 97463480 ZYXATIDOOWGNLC-UHFFFAOYSA-N 351.410 2.828 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3cccc(-n4cnnc4)c3)c2n1 91663664 MHTWFANPDVVEJN-UHFFFAOYSA-N 373.416 2.933 0 50 FFAA CSc1nccc(N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)n1 91663189 NOAJUAXRUADGIC-UHFFFAOYSA-N 372.542 2.931 0 50 FFAA CSCCCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 92020370 CKCCEGCDVAKLSR-UHFFFAOYSA-N 361.511 2.721 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N(C)CCC[C@@H]3CCCO3)c(=O)[nH]2)cc1 91876553 HOFCKVGOQAFDTN-MRXNPFEDSA-N 355.438 2.777 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cc(C(F)(F)F)ccc4Cl)C(=O)[C@H]13)O2 239339154 LTNZXUDWGSHFCN-FJJYHAOUSA-N 373.714 2.730 0 50 FFAA CC[C@H](NC(=O)Nc1ccc(Cc2n[nH]c(C)n2)cc1)c1ccnn1C 96148939 GSEXLMHUCBKTSM-HNNXBMFYSA-N 353.430 2.710 0 50 FFAA CCS(=O)(=O)Nc1ccc(-c2ncnn2Cc2ccc(OC)cc2)cc1 97087979 IXEGSGBIZQYQSH-UHFFFAOYSA-N 372.450 2.764 0 50 FFAA C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245240730 SCMRAVQXCAHESR-UMVBOHGHSA-N 373.405 2.568 0 50 FFAA biogenic CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 299747613 DKFLKNCHKFSRKF-DLBZAZTESA-N 367.401 2.918 0 50 FFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(C)cn3)C2)nc1 184298038 UKMWHRDYCJUMNH-HNNXBMFYSA-N 353.426 2.976 0 50 FFAA CCC[C@@H](NC(=O)N1CCC(Oc2ccncc2)CC1)c1nccn1C 534654493 AGOWCCIKMHQJJM-QGZVFWFLSA-N 357.458 2.909 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1 363460567 GSOUWAFAYYTYGW-OAHLLOKOSA-N 371.437 2.907 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1cccc(-c2nnc(C)[nH]2)c1 299799124 PSELGTVLDBVSNJ-LLVKDONJSA-N 354.418 2.664 0 50 FFAA CC(C)c1nc(C(=O)NCc2cccnc2N2CCC[C@H](O)C2)cs1 39371361 HJOMNTOJHIPWIB-AWEZNQCLSA-N 360.483 2.553 0 50 FFAA c1c2c(cc3nc(N4CCOCC4)c(CNC[C@@H]4CCCO4)cc13)CCC2 299795309 LEGMJLQHHDSRGM-FQEVSTJZSA-N 367.493 2.829 0 50 FFAA Cn1ccnc1[C@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1ccccc1 299801702 YFLUQZHGXAWLCF-HXUWFJFHSA-N 363.465 2.860 0 50 FFAA CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2ccc3oc(O)nc3c2)c1 584903371 YPFWPSDCYHOTBV-INIZCTEOSA-N 365.389 2.551 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NC[C@H]1CCN(C2CC2)C1 584894759 ODKUFHCPMCHXLK-CQSZACIVSA-N 371.460 2.842 0 50 FFAA COc1ccc(S(=O)(=O)NCc2noc(C(C)C)n2)cc1C(C)C 670453699 ZIRRIWPTOHGBSL-UHFFFAOYSA-N 353.444 2.804 0 50 FFAA CC[C@H](O)Cn1nc(COC)nc1-c1cccc(-n2nc(C)cc2C)c1 670457302 KLVXZSSVSSGKIC-KRWDZBQOSA-N 355.442 2.665 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CCC(OC)CC2)cc1Cl 591814908 PVMJBSVGTSMNIY-UHFFFAOYSA-N 354.255 2.802 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2cnc(-c3ccco3)nc2)CC1 952869701 LNXQQZYNMWLNRE-UHFFFAOYSA-N 352.394 2.678 0 50 FFAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCS(C)(=O)=O)C1 952976015 MQAKDJKNNGNXTA-LBPRGKRZSA-N 358.891 2.950 0 50 FFAA CCNC(=O)c1ccc(NC(=O)CCCN2CCCCC2=O)cc1Cl 952965383 RLPBVYYDAQTBKK-UHFFFAOYSA-N 365.861 2.821 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)NCCOC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 952965960 SQWIMVVBXAFAMN-WVJPWNCSSA-N 360.502 2.796 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)cc1 952981523 ZSIRXMMAXBFXQH-UHFFFAOYSA-N 355.438 2.821 0 50 FFAA Cc1[nH]nc(-c2ccc(S(=O)(=O)N(C)CC[C@H]3CCCCO3)o2)c1C 952966480 UICKRVVIPAKFHA-CQSZACIVSA-N 367.471 2.866 0 50 FFAA C[C@@]1(O)CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 408299868 WPFHZYWMSWAXPU-MLGOLLRUSA-N 358.269 2.738 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)c(O)n1 275984029 OJAMVQQDXITYCD-QGZVFWFLSA-N 354.454 2.617 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 272531665 QVNFDPXIFREYBB-PKOBYXMFSA-N 359.514 2.566 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1noc(C)n1)CC2 276422280 LMINTAHATSMKKW-INIZCTEOSA-N 360.483 2.843 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H](C)Oc2cccc(F)c2)cnn1C 275328436 FQBYBEJHZIKWKL-PUECVXPYSA-N 361.417 2.529 0 50 FFAA C[C@@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCO1 747111675 JJPWRVNLKZDRBX-SECBINFHSA-N 365.735 2.763 0 50 FFAA Cc1cccc(C[C@@H](CO)NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 191266042 ZZPBNCTWFIGAPE-KRWDZBQOSA-N 353.397 2.858 0 50 FFAA O=C(c1ccccc1F)N1CCCN(C[C@H](O)Cc2ccccc2)CC1 192531381 MQHPFLLSWUDFAT-GOSISDBHSA-N 356.441 2.577 0 50 FFAA O=C(c1nnc2n1CCCCC2)N1CCC([C@@H](O)c2cccs2)CC1 1506424231 IAUCSXMAPAWREC-MRXNPFEDSA-N 360.483 2.652 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1 1506425737 MXHVGKUWFNFFJH-IBGZPJMESA-N 366.527 2.544 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 1506403666 CVALMJDKRGCZRH-ZDUSSCGKSA-N 374.441 2.931 0 50 FFAA CCC[C@H]1CN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1NS(C)(=O)=O 216214047 LACYZQRCQLYKRX-AAEUAGOBSA-N 365.421 2.563 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccccc2C)cc1OC 1529120382 YPNLAFQPOBONTP-WOJBJXKFSA-N 371.433 2.587 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529151936 HVLMZSHFIPOYHW-TZIWHRDSSA-N 350.418 2.671 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(SCCO)cc2)C[C@@H]1c1ccccc1 216954422 MNQHCRAJUDSBMS-MSOLQXFVSA-N 371.458 2.711 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc(C)n1 1704299467 QLYZAVRPYJVUHL-WIYYLYMNSA-N 361.445 2.922 0 50 FFAA Cc1ccc(N2CCC(N3CCCN(C(=O)[C@H]4CCOC4)CC3)CC2)cc1 1772815075 CVTNNFOKRYYVAR-IBGZPJMESA-N 371.525 2.535 0 50 FFAA O=C(c1c[nH]cn1)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 11754038 ILKLBVFWJBOJKV-LJQANCHMSA-N 360.408 2.816 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](CCCc2ccccc2)C1 12192079 MUBCVXDDYPRPLY-QGZVFWFLSA-N 350.422 2.822 0 50 FFAA COc1cccc(CN2C[C@H](C(=O)NCCc3ccc(C)o3)CCC2=O)c1 12303685 PIAZPTKABJFUJQ-QGZVFWFLSA-N 370.449 2.694 0 50 FFAA CN(CCc1nc2ccccc2[nH]1)C(=O)c1cn(CCc2ccccc2)nn1 12434069 HYUWZFCSVFOCRD-UHFFFAOYSA-N 374.448 2.712 0 50 FFAA O=C(CCC1CCN(S(=O)(=O)c2ccccc2Cl)CC1)NC1CC1 12442941 ONSRGWHDSIOLGT-UHFFFAOYSA-N 370.902 2.800 0 50 FFAA COCCCC1CCN(C(=O)c2cn(CCc3ccccc3)nn2)CC1 12584026 QOMBOKFOSJHHNK-UHFFFAOYSA-N 356.470 2.800 0 50 FFAA O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NC[C@@H]1CCCO1 12710108 VARBIRVSTFQQTH-NRFANRHFSA-N 356.510 2.941 0 50 FFAA CC[C@@H](COC)Nc1ncnc2sc(C(=O)NCCSC)c(C)c12 14986492 XHKDGVOBTRRWSD-NSHDSACASA-N 368.528 2.929 0 50 FFAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 16606865 QEZSPWPJKFYTOT-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CSc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCCC1 16647666 FYXKFNBCBSXWIW-UHFFFAOYSA-N 356.513 2.579 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)Cc3nc(C)cs3)nc2)C1 19732602 BEZYRJGENZAOAK-OAHLLOKOSA-N 374.510 2.982 0 50 FFAA O=C(NCCCOc1cccnc1)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2 1857673264 MLQMZOTXYLTHIW-CZTZKLFOSA-N 365.477 2.720 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@]1(C)CCCCO1)CC2 1857682844 UHMONRISMXFNTQ-NRFANRHFSA-N 353.466 2.974 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)c2cccc(Cl)c2n1 1857720424 UARWQJQRPOBVAF-MJBXVCDLSA-N 359.857 2.788 0 50 FFAA Cc1cccc(CC(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c1 1857733200 ZFYYOFKWVGEPAW-GPQLQYNLSA-N 354.494 2.543 0 50 FFAA CC[C@@H](C)n1ncc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1C 331091389 WKGMEQDYIXKKCY-CQSZACIVSA-N 356.474 2.694 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2cccc(C(=O)O)c2)cc1 237734512 KSKSPLCVSZRYCN-SFHVURJKSA-N 366.417 2.501 0 50 FFAA CN(Cc1cccc(-c2nc(O)c3c(n2)CSC3)c1)Cc1cnn(C)c1 23153644 KNOBCLVHDBDRKJ-UHFFFAOYSA-N 367.478 2.962 0 50 FFAA NCC1(c2ccccc2)CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 1857783208 YSGQUIDAJQXYPC-FQEVSTJZSA-N 363.461 2.699 0 50 FFAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CCN(CC(F)(F)F)C2)[nH]1 1875255367 MIFCNLBHPHZPCL-CYBMUJFWSA-N 351.376 2.565 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@H]2C[C@@H](O)C(F)(F)F)c2c(C)n[nH]c2n1 1875313848 YVSXUQDSYOTEGQ-WCQYABFASA-N 370.375 2.883 0 50 FFAA CC(C)n1cnc(C(=O)NCC[C@H]2[C@H](C)CCCN2c2ncc(F)cn2)c1 1875302250 HBKGORAHLAKOFH-PBHICJAKSA-N 374.464 2.818 0 50 FFAA Cn1cc(OC2(C(=O)N3CCC[C@@H](c4cc(O)cc(F)c4)C3)CC2)cn1 1875308015 PVISNXVHCBIWMY-CYBMUJFWSA-N 359.401 2.582 0 50 FFAA C[C@@H]1CN(C(=O)c2ncsc2Nc2ccccc2)C[C@@H](CC(=O)O)O1 1875312068 HBPDLEKEPDGMKR-DGCLKSJQSA-N 361.423 2.591 0 50 FFAA Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H]3CN(C(=O)C4(C)CC4)C[C@H]32)c1Cl 1875405981 UASBVHUBQVLTCZ-HBNTYKKESA-N 355.269 2.573 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc2ncccc2c1Cl 1875403008 OSXWPNYBETZMCQ-CSMYWGQOSA-N 370.840 2.654 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3[nH]c(=N)oc3c2)C1 2325797972 CTNKPWNMCFNBCC-HNNXBMFYSA-N 364.449 2.834 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 2325888783 ZEDLWVAHWOSHOK-SFHVURJKSA-N 354.450 2.533 0 50 FFAA CCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 1173084 KKPNMFZVADGGGA-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cc1 2356134203 DBSZBITYMZOIGE-BBWFWOEESA-N 364.511 2.687 0 50 FFAA COc1ccccc1OCCn1c(CCCNC=O)nc2ccccc21 4810469 NMMQQIIHPKZNGP-UHFFFAOYSA-N 353.422 2.803 0 50 FFAA COc1ccc(-c2noc(CNC(=O)Cc3ccc(C)cc3)n2)cc1OC 4943754 ZOAJBGFLSFHOIA-UHFFFAOYSA-N 367.405 2.921 0 50 FFAA Cc1ccc(C)c(-c2ccc(=O)n(Cc3cc(=O)n4ccccc4n3)n2)c1 6767424 IWKIXBUYFRQZEQ-UHFFFAOYSA-N 358.401 2.583 0 50 FFAA CCN1CCN(C(=O)c2cccc(NCc3cccnc3)c2C)[C@@H](C)C1=O 55132160 VFUVHQDHZOCWPG-INIZCTEOSA-N 366.465 2.695 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)cc1C 107100705 IQSLRBXVICAMNN-HXUWFJFHSA-N 370.493 2.778 0 50 FFAA Cn1cc(SCC(=O)NCC2=CSC3=NCCN23)c2ccccc21 102037266 VYZHONAYUPKHOC-UHFFFAOYSA-N 358.492 2.646 0 50 FFAA O=C(c1cc(F)cc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20727500 XTTCCESBZXQGEC-UHFFFAOYSA-N 360.360 2.652 0 50 FFAA COc1ccc(-n2cccc2CN2CCC(N3CCC(O)CC3)CC2)cc1 67851352 QXLYEIJYXMNMJS-UHFFFAOYSA-N 369.509 2.907 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc(=O)[nH]1 65403554 MDMUGXJLYSLBJT-OAHLLOKOSA-N 365.437 2.816 0 50 FFAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(C4CCC4)C3)CC1)OCO2 23373475 UTPJEVZAGKPJJY-LJQANCHMSA-N 357.498 2.550 0 50 FFAA COc1ccnc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328621142 AHWDNNRLYKPJPI-LBPRGKRZSA-N 354.376 3.000 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(CCO)Cc1sccc1C)C2 65383836 GMPFWGSKAKKDJC-OAHLLOKOSA-N 361.463 2.637 0 50 FFAA CCn1c(C2CCN(C(=O)NC(C)(C)CC(C)(C)C)CC2)nn(C)c1=O 67692947 QRVYASCPZGHGEP-UHFFFAOYSA-N 365.522 2.706 0 50 FFAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(c2cnccn2)CC1 67804367 MERUNPUHFPTLEJ-UHFFFAOYSA-N 362.437 2.696 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc([C@H](C)N)cc3)cn2)C[C@@H](C)O1 422877887 SFUSIBFSPSVRDE-ZNMIVQPWSA-N 354.454 2.967 0 50 FFAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2CC2)CC1 67740827 LGNYXMXEGFLGMY-UHFFFAOYSA-N 368.437 2.718 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccccc1F 67921459 IGSGGHGRUPLJBL-NRFANRHFSA-N 356.441 2.512 0 50 FFAA COC(=O)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 1393204 QNKRRMVKZDSPAC-AWEZNQCLSA-N 373.352 2.898 0 50 FFAA O=C(NCc1ccsc1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12196166 RXJDWWRINTYYQD-MRXNPFEDSA-N 360.454 2.985 0 50 FFAA c1cnc2c(OCCn3ccnc3-c3cc4n(n3)CCCNC4)cccc2c1 72473445 OXTANOSKECDGTE-UHFFFAOYSA-N 374.448 2.867 0 50 FFAA CNC(=O)c1ccc(Cn2ccnc2[C@@H](C)Cc2ccc3c(c2)OCO3)o1 77470944 JCZMJIDECLLYEU-ZDUSSCGKSA-N 367.405 2.959 0 50 FFAA Cc1nc(C2(NCCCN3CCN(c4ccccc4)CC3)CCCC2)no1 253417463 RLFALKXPNQHNIR-UHFFFAOYSA-N 369.513 2.949 0 50 FFAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72174485 RIHYROJLWRJQRT-KRWDZBQOSA-N 353.470 2.809 0 50 FFAA O=C(O)c1cc(-c2ccc(O)cc2)cc(S(=O)(=O)NC2CCCC2)c1 71752728 MGNJNDQPJUXHCQ-UHFFFAOYSA-N 361.419 2.978 0 50 FFAA COc1cc2c(cc1CNC(=O)Cc1sc(S)nc1C)O[C@H](C)C2 126341619 OOWARNBSUGLWTD-SECBINFHSA-N 364.492 2.931 0 50 FFAA CC(C)N1C[C@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1=O 77470839 BAVFFVFPBGQHLU-CQSZACIVSA-N 364.873 2.967 0 50 FFAA O=C1CCCN1C[C@H]1CCCCN1C(=O)NCCc1ccc2[nH]ccc2c1 375591743 OOQQWJMPXLAUGC-GOSISDBHSA-N 368.481 2.897 0 50 FFAA O=C1[C@@H](N2CCN(c3ccnc4ccncc34)CC2)CCN1c1ccccc1 333304658 ICOPLNNLOJEKBD-NRFANRHFSA-N 373.460 2.557 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3nc(C)ncc3Cl)cn2)c1 72468713 OXQVRBGSBFCZHC-UHFFFAOYSA-N 371.828 2.905 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 77338361 KDCRNAKBYADVCI-LJQANCHMSA-N 370.493 2.830 0 50 FFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1C[C@]12CCc1ccccc12 175126158 OHOVBYLHLODICV-OPYAIIAOSA-N 367.470 2.925 0 50 FFAA CC(C)c1nnc(CCC(=O)NC2CCN(CCc3ccccc3)CC2)o1 176547834 HWEHDJFOAOKHAS-UHFFFAOYSA-N 370.497 2.949 0 50 FFAA O=S1(=O)CCc2ccc(NCc3nc(CCc4ccccc4)no3)cc21 178038028 CAFZPOWGRUTUFO-UHFFFAOYSA-N 369.446 2.797 0 50 FFAA Cc1ccccc1N1C[C@@H](C)N(C(=O)COCc2ccccc2)CC1=O 82137332 PJNOSLPPDJTSAA-QGZVFWFLSA-N 352.434 2.776 0 50 FFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H]3C)cc2)CC1 95507727 OWIMVSLXPZLDLN-MRXNPFEDSA-N 374.481 2.717 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(c1cc(C(F)(F)F)ccn1)CCN2C 95352432 UTOCXDLNRHCNOG-KRWDZBQOSA-N 370.419 2.623 0 50 FFAA CCc1c(C)cc(C(=O)N2CC(Oc3c(C)cccc3C)C2)c(=O)n1C 91563167 WQPYNFPRXVPHEY-UHFFFAOYSA-N 354.450 2.776 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 95520259 DBZNFIADCAMWSJ-OAHLLOKOSA-N 367.453 2.734 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CN(c4ccccc4)CCO3)[nH]n2)o1 91270245 XUAVFQAXQGAYMO-MRXNPFEDSA-N 366.421 2.613 0 50 FFAA O=C(COc1ccccc1)N[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1C1CC1 95383026 ZEVPNHBRZHRLPU-MOPGFXCFSA-N 356.466 2.609 0 50 FFAA CSc1ccccc1-c1ccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 426547605 JVSRXSKKNLGKQV-IRXDYDNUSA-N 357.475 2.748 0 50 FFAA O=C1Cc2cc(NC(=O)NCCN3CC[C@H](c4ccccc4)C3)ccc2N1 95519831 GKOORLFCOFGNGN-INIZCTEOSA-N 364.449 2.792 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)COc1ccc(F)cc1 238117235 YWOKMRZBMCVATG-UHFFFAOYSA-N 367.323 2.986 0 50 FFAA CCOc1cccc([C@@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c1 95383180 MWWQXMXSEGZUKG-FQEVSTJZSA-N 369.465 2.814 0 50 FFAA CCc1nn(C)c(NC(=O)N(CCCO)Cc2ccccc2OC)c1C 96137936 ZVULUMMAWPIMDC-UHFFFAOYSA-N 360.458 2.716 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)N(C)CCN2CCCCCC2)n1 534666259 HCEWOCYFNQIRCX-HNNXBMFYSA-N 351.495 2.847 0 50 FFAA CC(C)(C)c1nc2ncccn2c1-c1ccc(C(=O)N2CC[C@@H](O)C2)cc1 534652339 KLHMQUTXNRLNHI-MRXNPFEDSA-N 364.449 2.901 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc4[nH]c(C)nc4c3)[C@H]2C1 299788636 VXAJZQDOYPKLSO-MOXGXCLJSA-N 357.454 2.599 0 50 FFAA O=C(NCc1cc(-c2ccccc2Cl)on1)N1C[C@@H]2CC[C@H]1CNC2 827978647 SKQYVEWRQVYGDK-OCCSQVGLSA-N 360.845 2.888 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1 952972271 ZNENPGDMASYWDF-LJQANCHMSA-N 372.444 2.567 0 50 FFAA C[C@@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1c(F)cccc1Cl 188884124 UJKZGHFVZWLVSR-SNVBAGLBSA-N 353.825 2.850 0 50 FFAA O=c1ccccn1Cc1noc(-c2ccc(OC[C@@H]3CCCO3)cc2)n1 731789426 HVNMAOHYMMNXFV-INIZCTEOSA-N 353.378 2.504 0 50 FFAA COc1cc(S(=O)(=O)NC[C@H]2CCOc3ccccc32)ccc1F 190635957 HDEXNXWFJARPIC-GFCCVEGCSA-N 351.399 2.679 0 50 FFAA CC(=O)N1CC[C@@H](Nc2ncnc3onc(C)c23)c2ccc(F)cc2C1 192532515 PMXIYLZGKRCOBY-OAHLLOKOSA-N 355.373 2.971 0 50 FFAA CN(C(=O)Nc1cnns1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 194328459 PUAGGURRWYZLOO-ZYHUDNBSSA-N 359.238 2.967 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NCCc2cccnc2)CC1 194941548 KCXMRWLRGXDBJO-UHFFFAOYSA-N 354.454 2.601 0 50 FFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCC[C@@H](N2CCCC2)C1 796258256 ATCZELQUCRLRAS-HZPDHXFCSA-N 356.388 2.826 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Br 101209040 JRVCVQJAFKBAPN-KWBADKCTSA-N 360.273 2.925 0 50 FFAA CN(CC(=O)N1CCCN(C2CCSCC2)CC1)Cc1ccccc1 1704280559 BIIRVOWNWDJISH-UHFFFAOYSA-N 361.555 2.548 0 50 FFAA Cc1ccnn1CCN1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 1772706903 PUQKFTOVVVFCMJ-UHFFFAOYSA-N 369.444 2.660 0 50 FFAA C[C@@H](C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)n1cnc2ccccc21 1772708410 BSRKMRGZKNMQHO-HNNXBMFYSA-N 364.449 2.702 0 50 FFAA COc1cc(-c2onc(N(C)C[C@@H]3CCCO3)c2C(=O)O)ccc1F 1772706074 GTAKCBAUYCNGFF-NSHDSACASA-N 350.346 2.803 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cccc(Cl)c2C)cc1 5814621 KIMHPJXTYQKLSF-UHFFFAOYSA-N 352.843 2.637 0 50 FFAA COc1cc(CNC(=O)c2cn(C3CCCCC3)nn2)cc(OC)c1OC 12373775 WOBFMMBZWISTIV-UHFFFAOYSA-N 374.441 2.739 0 50 FFAA COC(=O)c1ccc(CN2CCO[C@H](Cc3ccc(OC)cc3)C2)cc1 14948202 ZLBZELUOIXQHIM-HXUWFJFHSA-N 355.434 2.925 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CC[C@@H](COC)C3)nc2)n1 15069545 AOZSDQUMURBIKA-CYBMUJFWSA-N 360.483 2.503 0 50 FFAA CCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1 19528176 MKUPOFKMLPHPFJ-UHFFFAOYSA-N 354.292 2.724 0 50 FFAA Cc1cc(C(=O)NCc2cccnc2-n2cnc3ccccc32)nc(C)n1 19535584 UDKXRUBLTKBLJW-UHFFFAOYSA-N 358.405 2.757 0 50 FFAA Cc1ccccc1-n1cc(CN(C)[C@H]2CCOC3(CCNCC3)C2)cn1 1857682780 RZBCVWWFQTXWHT-IBGZPJMESA-N 354.498 2.914 0 50 FFAA Cc1ccc(CN2C[C@H](C(=O)O)C3(CCN(Cc4ncc[nH]4)CC3)C2)cc1 1857685929 AIVPYXOSWKEJHD-GOSISDBHSA-N 368.481 2.517 0 50 FFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)c1C 1857697565 DJQPPGSFIXAVGR-UHFFFAOYSA-N 370.453 2.650 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H]3CC[C@H](c4ccccc4)N3)CC2)ccn1 1857732022 YJBWJDGIKPWENA-NHCUHLMSSA-N 364.493 2.922 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2ccc(Cn3ccc4ccccc43)o2)C[C@@H]1O 212019559 RQIUQKYKKUZCQT-FPOVZHCZSA-N 368.433 2.631 0 50 FFAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12CN(C(=O)OC(C)(C)C)C2 381772179 SRUDCLUSLCNCPB-KRWDZBQOSA-N 374.481 2.919 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@H](O)c1ccc(F)cc1 161882754 WPIFVLBBWQVEPI-UGSOOPFHSA-N 374.412 2.509 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(COc3ccccc3)cc1)C2 1704305985 YQIOVQIEHXLONB-QUCCMNQESA-N 366.461 2.668 0 50 FFAA CC(=O)Nc1cccnc1C(=O)N1CCC[C@H](Cc2nc(C)cs2)C1 924362349 VSTPSZOEVSWUIM-CQSZACIVSA-N 358.467 2.900 0 50 FFAA Cc1c(C(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)oc2ccccc12 952889148 WORNVNIFNCEWJT-DOTOQJQBSA-N 356.422 2.626 0 50 FFAA Cc1cccc([C@H](CC(=O)N2CC[C@H](c3cccc(O)c3)C2)NC(N)=O)c1 1875267948 OYRPGNLLFPKCBY-HKUYNNGSSA-N 367.449 2.816 0 50 FFAA O=C(N=c1[nH][nH]c(C2CC2)c1-c1ccccc1)C(F)(F)CCn1ccnn1 1875395433 XMMPMUOWCFBNQP-UHFFFAOYSA-N 372.379 2.632 0 50 FFAA COc1cc(Br)cc(N2C(=O)N[C@H](C3C[C@H]4C[C@@H]4C3)C2=O)c1 1875304175 CDFXPDGQDSBEID-RFXMVYNHSA-N 365.227 2.929 0 50 FFAA CN(C)C[C@H](CCO)N=c1[nH]c(-c2cccc(Cl)c2)nc2c1CCCC2 1875350210 FFMIQDYAURCNJG-INIZCTEOSA-N 374.916 2.822 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NC1CCN(CC2CCCCC2)CC1 1875398750 DGMMBRAAARWIEB-CEWLAPEOSA-N 360.546 2.657 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(C2CC2)[nH]c1C1CC1 1875401041 RHPALKKAVMNGAC-NXOUGTEYSA-N 354.454 2.536 0 50 FFAA O=C(CSCC(=O)Nc1ccc2ccccc2c1)NC[C@@H]1CCCO1 2500617 CMXHWPZMIWRSDP-KRWDZBQOSA-N 358.463 2.807 0 50 FFAA Cc1ccc(F)c(-c2cc(=NC(=O)C[C@@H]3Cc4ccccc4CN3)[nH][nH]2)c1 2325859171 QDGYPKUGLQEDED-INIZCTEOSA-N 364.424 2.989 0 50 FFAA O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1cc[nH]c2nccc1-2 2325861275 KZZYQORMBNQOFW-UHFFFAOYSA-N 362.389 2.806 0 50 FFAA Cc1cc(F)c2c(c1)N[C@H](C(=O)NCCCN(C(=O)C1CCC1)C1CC1)C2 2325863352 FZSPCECEUMOWSQ-IBGZPJMESA-N 373.472 2.768 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@]34CCCN(C(C)C)C4=O)c(F)n2c1 2356152962 JXGMCEZTMOQUDM-FQEVSTJZSA-N 372.444 2.787 0 50 FFAA COc1cc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3O4)cc2)c(=N)[nH]c1C 2356157292 IVSHZCKSGANCMA-USXIJHARSA-N 353.422 2.528 0 50 FFAA O=C(c1ccccn1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356165244 ZKZDFBOHORNKKF-JOCHJYFZSA-N 363.461 2.922 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(F)cc(F)c2)C1=O 2356165599 KXBKSAMTPMAENV-KRWDZBQOSA-N 372.437 2.521 0 50 FFAA COc1ccc(CC2CCN(CC(=O)NCc3cccnc3)CC2)cc1 109835764 LCGUSLFYZZLRQI-UHFFFAOYSA-N 353.466 2.661 0 50 FFAA COc1ccc(OC)c(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1 104367415 BGEPRYUOJFSAPR-GOSISDBHSA-N 374.481 2.674 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3ccnn3C)cn2)cc1 2808500 RJJPLHMKBPYWHO-UHFFFAOYSA-N 351.439 2.510 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c(C)s1 115208135 NXBSPPXHUBBCHU-WBHUJUFNSA-N 374.510 2.885 0 50 FFAA Cc1nc(CN(C)Cc2ccccc2OCCCCN2CCOCC2)no1 55413225 RSBLMNIPHRISAY-UHFFFAOYSA-N 374.485 2.501 0 50 FFAA COc1cc(C(=O)NC2CCN(C(=O)C(C)C)CC2)c2ccccc2n1 67974221 ZXGLIRGOXCCYOU-UHFFFAOYSA-N 355.438 2.620 0 50 FFAA COc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1N1CCOCC1 67473111 IUXQGAXRELAVBQ-HNNXBMFYSA-N 355.438 2.760 0 50 FFAA Cc1nc(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cs1 67491300 MOEDYTOPBZEHIZ-HXUWFJFHSA-N 373.522 2.527 0 50 FFAA COc1ccc2cc(CN3CCN(c4cccc(O)c4)CC3)c(=O)[nH]c2c1 67788106 XJZYHQHOIQQNQK-UHFFFAOYSA-N 365.433 2.565 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 1386683 JLSDDAXAQSRWMO-UHFFFAOYSA-N 363.414 2.542 0 50 FFAA COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1c(C)nc2ccccc21 1430440 JVRURENWWJUXCI-MRXNPFEDSA-N 354.406 2.996 0 50 FFAA O=C(CCN1CCCCCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219272303 HPNDPVLKHGGZOS-AJTFCVKESA-N 372.509 2.816 0 50 FFAA Cc1n[nH]c(C)c1CCCNc1nc(-c2ccccn2)nc2c1CCNC2 72122461 DUZPXOKLYRZBRV-UHFFFAOYSA-N 363.469 2.569 0 50 FFAA Cc1oc(-c2ccco2)nc1COc1coc(CN2CCOCC2)cc1=O 71315536 UDBATKDKRBITFU-UHFFFAOYSA-N 372.377 2.607 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)Nc3cccc4c3OCCO4)C2)n1 172102589 PDGHNGLSYZYIER-HNNXBMFYSA-N 371.441 2.610 0 50 FFAA COc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)n3ncnc3n2)cc1F 216017074 WHLIQHQRFJTQOB-LLVKDONJSA-N 357.389 2.886 0 50 FFAA CC[C@@H](C)Sc1ncc(CN2CCN(C3CCOCC3)CC2)cn1 216204498 ZCRCLQJVDHUMGX-OAHLLOKOSA-N 350.532 2.664 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1 253429755 OOZZEPXVXHPFCI-TWMKSMIVSA-N 367.534 2.726 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 151043863 BOEUSJWGNRNKGW-JQHSSLGASA-N 374.481 2.707 0 50 FFAA CCOc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cn1 151620485 ARDMYXAIZAVGHA-OKILXGFUSA-N 356.426 2.741 0 50 FFAA O=C(NCCn1cccc1)c1ccccc1CS(=O)(=O)c1ccccc1 479926463 PYUZIVDLQRQKOP-UHFFFAOYSA-N 368.458 2.892 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cc1OC 363170320 GCRUAKWTVBRSAQ-HNNXBMFYSA-N 359.430 2.781 0 50 FFAA Cn1nccc1[C@H]1C[C@H](NC(=O)N2CCCc3ccccc3CC2)CCO1 333165928 IGGMJCQJYXNLAM-UYAOXDASSA-N 368.481 2.841 0 50 FFAA Cc1ccccc1OC1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 219775754 SIMMIUJIFFEPOP-UHFFFAOYSA-N 353.470 2.620 0 50 FFAA Fc1ccccc1CN1CCCn2nc(CN3CCCOCC3)cc2C1 72153214 WMKQXTFHPKLUEI-UHFFFAOYSA-N 358.461 2.650 0 50 FFAA O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CC(F)(F)CN1 262967514 LKNNUVRVDRSTCQ-AWEZNQCLSA-N 351.328 2.626 0 50 FFAA O=C(OCc1ccc(OC2CCOCC2)nc1)c1cccc2cn[nH]c12 156679693 OJQOWTGCPBOJIK-UHFFFAOYSA-N 353.378 2.873 0 50 FFAA Cc1cc(C)n(CCCNC[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)n1 242389455 ZXIATZZZZORWIN-XUVXKRRUSA-N 361.530 2.850 0 50 FFAA C[C@@H](NS(=O)(=O)NCc1ccccc1)c1nc2c(s1)CCCC2 72172909 ZFMVPVNMLUFUIT-GFCCVEGCSA-N 351.497 2.707 0 50 FFAA O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccnc(C(=O)O)c1 262376119 HLUKZFZUGWUOKG-CYBMUJFWSA-N 360.341 2.729 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C1CCOCC1 238103237 LWCHWTCZLNNJBI-HUUCEWRRSA-N 371.355 2.901 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@H]3CCCCN3C)c12 72453605 ZWJFEQXJFQCLRW-OAHLLOKOSA-N 351.458 2.630 0 50 FFAA CN1CCOc2ccc(NC(=O)N3CCc4ccccc4[C@@H]3CO)cc21 132029127 ADDBXZYFKFOLPC-SFHVURJKSA-N 353.422 2.639 0 50 FFAA CCCCNC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 77504283 NWDAZSPBYPFBAM-FQEVSTJZSA-N 358.486 2.796 0 50 FFAA O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@@](O)(C(F)(F)F)CC1 376485081 MUXSXJAYTSUOEO-INIZCTEOSA-N 358.360 2.932 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCCCCN3C)cn2)c1 72478970 LFWKRLKIZKHWLE-IBGZPJMESA-N 356.470 2.714 0 50 FFAA Cc1cccc(N2CCN(C(=O)NC[C@@H]3CCN(C4CC4)C3)CC2)c1C 79457308 JRVFKQYAMFHGNF-SFHVURJKSA-N 356.514 2.619 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCCc1csc(-c2ccncc2)n1 223605446 WCQZMRMCPFOLNQ-PBHICJAKSA-N 356.495 2.738 0 50 FFAA O=C([C@H]1CCCCN1C(=O)c1cccnc1)N1CCOC2(CCCCC2)C1 174468860 VZGFTTJPZRZXDB-GOSISDBHSA-N 371.481 2.638 0 50 FFAA CN(C)C(=O)N1CCCC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 82134201 UXLAGUMQAKXLCU-MRXNPFEDSA-N 354.454 2.743 0 50 FFAA CC(C)(C)c1cn(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 48501652 VLUOQKSSZABVKM-CQSZACIVSA-N 370.453 2.857 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 291039924 URWFCDPNPUXWRW-LJQANCHMSA-N 369.513 2.864 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CCc3ccccc3C(=O)O)CCO2)c1 263540755 QSBPCEXDIHSVCO-IBGZPJMESA-N 369.417 2.926 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)c(=O)n1 220734908 NLFYRTJAFZUFID-KRWDZBQOSA-N 364.449 2.578 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1 82115046 ZXHLCLVZCWYQSN-UHFFFAOYSA-N 372.490 2.716 0 50 FFAA O=S(=O)(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc2ccccc2c1 222940864 MKIWRKVDLFGGCW-MOPGFXCFSA-N 361.463 2.702 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)C2CCCC2)CC1 95371514 XIVBMCOVAWVUDN-FQEVSTJZSA-N 372.509 2.789 0 50 FFAA COc1ccc(CN(C)Cc2noc(C3CCC3)n2)cc1Cn1cncn1 97553169 ZKZSMQORHNGRAT-UHFFFAOYSA-N 368.441 2.618 0 50 FFAA Cc1ncc(CN2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)s1 180854701 FGRMFNVVQHHINR-UHFFFAOYSA-N 365.890 2.527 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(C)CC23CCCCC3)nn1 179594042 BCEBEVWKDDEBIM-UHFFFAOYSA-N 371.460 2.805 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)Nc3cccn4cnnc34)C2)n1 96142240 XYXFMWVKAMKVME-CYBMUJFWSA-N 369.429 2.722 0 50 FFAA Cc1cc(N2CCC(NCCc3csc(C(C)C)n3)CC2)nc(N)n1 95357257 AZZULPUSGWFMGG-UHFFFAOYSA-N 360.531 2.748 0 50 FFAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 95383323 DXKSLNDTFZZNGP-LSDHHAIUSA-N 359.495 2.667 0 50 FFAA Cc1cc(N2CCC[C@@]3(CC2)CNC(=O)O3)nc(-c2ccccc2O)n1 91381695 RLEVIEXEUXOYHO-LJQANCHMSA-N 354.410 2.627 0 50 FFAA CN(Cc1nnc([C@H]2C[C@H](N)C2)n1C)CC1(N2CCCCC2)CCCCC1 244715937 LFCGWTJFSZZFDV-IYARVYRRSA-N 374.577 2.640 0 50 FFAA O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cccc(C(=O)O)c1 299743727 LZHFKPCXXYPPSF-HNNXBMFYSA-N 352.390 2.592 0 50 FFAA COc1ccc(NC(=O)[C@@H](CC(C)C)n2cccc2)cc1-c1nnn[nH]1 253409074 LJKPPEQNIOOBTI-OAHLLOKOSA-N 354.414 2.903 0 50 FFAA Cc1n[nH]c(C2CCN(C(=O)c3cnc(Nc4ccccc4)nc3)CC2)n1 299797326 NLWLGQVXFZZYLS-UHFFFAOYSA-N 363.425 2.667 0 50 FFAA C[C@H]1Cc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc2O1 299767161 GKWXQUXFZXEMBI-ZDUSSCGKSA-N 353.426 2.591 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1cc(F)cc(C(F)(F)F)c1 299782971 WGGLBAIGCYEEMX-CQSZACIVSA-N 363.355 2.813 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCC3(C)COC3)c2)nc(C)c1C(=O)O 584888086 FYGKOJLOVUKLBX-UHFFFAOYSA-N 354.406 2.830 0 50 FFAA Cn1c(CCCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nc2ccccc21 584894140 YAPMOZZIJKWZCV-KKSFZXQISA-N 370.497 2.843 0 50 FFAA CC(C)c1ocnc1C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 748743532 YIOXKDDPJXMURD-UHFFFAOYSA-N 373.428 2.854 0 50 FFAA Cc1ccc(C)c(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1 1565516174 MTUNGMXZPPFFSF-UNMCSNQZSA-N 356.510 2.889 0 50 FFAA O=C(N[C@H]1CCN(c2cnccn2)C[C@@H]1O)c1cccc(-c2ccccc2)c1 1565529636 TWILADQIPVSJTG-PMACEKPBSA-N 374.444 2.513 0 50 FFAA O=C1Cc2cc(CCCC(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)ccc2N1 268958279 ZKQFHPKTPBHBIV-QGTPRVQTSA-N 370.449 2.748 0 50 FFAA Cc1cc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)nc(C(F)(F)F)n1 186230276 MLLRNOAWQYHQDI-NSHDSACASA-N 364.327 2.660 0 50 FFAA CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)CCc2ccncn2)CC1 192366518 FVTKHQQVAWOMNP-LJQANCHMSA-N 374.435 2.983 0 50 FFAA Cc1cc(Cl)cc(Br)c1OCCON1C(=O)CCC1=O 5049314 DJBIELMNNSVWAR-UHFFFAOYSA-N 362.607 2.870 0 50 FFAA CC[C@@H]1CN(CCNC(=O)c2cccnc2C)Cc2cc(OC)ccc2O1 12079313 YZXHPIBFRPZNSZ-QGZVFWFLSA-N 369.465 2.802 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1 12390569 HOPYUOUQDPCKRF-UHFFFAOYSA-N 366.421 2.766 0 50 FFAA CSCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12578396 IGHJVQZKJRFYHV-GOSISDBHSA-N 350.459 2.530 0 50 FFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCc1ccc(OC)cc1 14752623 YPSYIYVPDYCLAM-MRXNPFEDSA-N 373.497 2.765 0 50 FFAA Cc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c(C)c1 886415 XOHZLDQUWDXORC-UHFFFAOYSA-N 372.490 2.654 0 50 FFAA COC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1 19902842 JQZXVCZYFOHPQK-UHFFFAOYSA-N 366.464 2.534 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 4749476 XMBUSISOWPLQDM-UHFFFAOYSA-N 366.417 2.623 0 50 FFAA COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 3977785 BLGXFZZNTVWLAY-DIRVCLHFSA-N 354.450 2.647 0 50 FFAA biogenic,in-vivo Cc1ccc2c(nc3s/c(=C/c4cc5ccccc5[nH]c4=O)c(=O)n32)c1C 4471967 XKYDJDKGWJAQPJ-LICLKQGHSA-N 373.437 2.915 0 50 FFAA CC(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@]23CCOc2cc(C)c(C)cc23)CC1 1857528348 AKEOQXMGJOXSKJ-SIKLNZKXSA-N 370.493 2.813 0 50 FFAA CN(CCn1ccnc1-c1ccc(CC(F)(F)F)cc1)S(C)(=O)=O 1857690351 HZKBYPGCQDHHOR-UHFFFAOYSA-N 361.389 2.546 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)NCc3cccc(F)c3)C[C@H]12 1857700640 YTMYXZUKCMFSKX-IKICRFKJSA-N 360.429 2.969 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2nc(C(C)(C)C)cs2)CC1 328607777 XBBMCMVKHWHNAX-CQSZACIVSA-N 367.515 2.728 0 50 FFAA Cc1ccc(Cc2nnn(CC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 252479020 AZOPXFNFVFGEKO-CQSZACIVSA-N 353.401 2.589 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@H](c2cccs2)C1)NC(=O)C1CCCC1 161525315 HNCWDDZCPIMMPB-ZFWWWQNUSA-N 350.484 2.733 0 50 FFAA CN=[S@](C)(=O)c1cccc(NCc2cc(=O)n3c(C)csc3n2)c1 902149375 PVQLXSLNSKUJJE-XMMPIXPASA-N 362.480 2.763 0 50 FFAA COc1cc(F)ccc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704335224 BECRTOWPNDUDEM-TZIWHRDSSA-N 373.424 2.715 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(O)c(F)c3)C1)CC2 1704305434 VSCFCSAUUAGISV-FQEVSTJZSA-N 370.428 2.508 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 811563960 OOTODKGAKYHXKK-FQEVSTJZSA-N 359.445 2.565 0 50 FFAA O=C(CCc1cccnc1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848494 NZAWJTINIWHHNP-SJORKVTESA-N 351.454 2.662 0 50 FFAA O=C(N[C@H](CO)CCc1ccncc1)c1ccc(CCc2ccccc2)[nH]1 1875325384 MNHCEHGRVVPDGR-FQEVSTJZSA-N 363.461 2.918 0 50 FFAA Cc1cc(C(=O)NC[C@@]23CCC[C@@](C(=O)O)(CO2)C3)c2ccccc2n1 1875358353 SHUAHNTVLGDKNS-PMACEKPBSA-N 354.406 2.687 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 1875365877 UBVRYHHGWCQFEX-CYBMUJFWSA-N 352.356 2.632 0 50 FFAA C[C@@H]1CN(CC2COCOC2)CCc2cc(Br)c(O)cc21 2325779011 AMVTWLGDTHPGJL-LLVKDONJSA-N 356.260 2.737 0 50 FFAA CN(C/C=C/c1ccccc1)C(=O)CN1CCC[C@@H](C(F)(F)F)C1=O 2325825343 NDVYTAXELJWMIX-FUVBFXSKSA-N 354.372 2.959 0 50 FFAA COC(=O)c1cc(CN=c2ccc(Br)c(OC)[nH]2)cs1 2325853309 LAYVSDGENMJDHP-UHFFFAOYSA-N 357.229 2.735 0 50 FFAA Cc1nn(-c2ccc(CN3CC(Oc4ncccn4)C3)cc2)cc1Cl 2325857590 HSKCICGIEKIKRF-UHFFFAOYSA-N 355.829 2.887 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Cl)cc1 1124973 QGHXXZFDOPHMHE-UHFFFAOYSA-N 364.814 2.606 0 50 FFAA Cn1ccc2ccc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)nc21 2356148301 PVFFBGABQBBKCJ-LJQANCHMSA-N 363.465 2.925 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[C@H]1O 2356153277 ADQVKZPRTSPNPR-VQIMIIECSA-N 361.417 2.654 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc2ccccc12 100280115 XVOXUKFNOUYBHZ-HZVDNRATSA-N 360.413 2.976 0 50 FFAA O=c1[nH]c(=O)n(C[C@@H]2CCCO2)c2nccc(-c3ccc(Cl)cc3)c12 9484050 CHOMJHZPYPSPTJ-ZDUSSCGKSA-N 357.797 2.584 0 50 FFAA CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610316 NPSLMANHDNGKPQ-UHFFFAOYSA-N 372.918 2.654 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)c1ccnc(N)c1 20779471 GXZKOQDMGGISBM-UHFFFAOYSA-N 350.378 2.790 0 50 FFAA C[C@H](NC(=O)CN1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(F)cc1 248377376 GLVQWMYOXRIPRX-KXBFYZLASA-N 369.440 2.566 0 50 FFAA O=C(O)CNc1ccccc1C(=O)NCC1(COc2ccccc2)CC1 65374242 MDFIIYGUPOUWFI-UHFFFAOYSA-N 354.406 2.772 0 50 FFAA O=C1CCCN1c1cccc(N2CCC(N3CCN4CCC[C@@H]4C3)CC2)c1 23581665 LFXXUSOMMCTJFD-OAQYLSRUSA-N 368.525 2.562 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H]2CCNC2)CCO3)s1 67785019 SIPCFTOMVIOSRT-ZDUSSCGKSA-N 358.463 2.760 0 50 FFAA Cc1cc(C(=O)Nc2c(F)cccc2F)ccc1N(C)S(C)(=O)=O 67614244 PINYIUCXJNSHLT-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA CCn1ncnc1NC(=O)c1cccc(CN(C)[C@@H](C)c2ccon2)c1 65507244 QAWORTLTRTWQQB-ZDUSSCGKSA-N 354.414 2.731 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1)c1cc(COc2cccc(F)c2)[nH]n1 67803080 JAMJKVOXXOENIF-GOSISDBHSA-N 355.369 2.591 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 328646944 SXQZOMMEWLVIEH-DOTOQJQBSA-N 354.516 2.538 0 50 FFAA COc1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc(OC)c1 39379664 IJQVASIHVDLMAO-LJQANCHMSA-N 362.514 2.905 0 50 FFAA Cn1cc(I)c(C(=O)Nc2ccc(F)cc2F)n1 2737336 TYBYUBAZQQKUOY-UHFFFAOYSA-N 363.105 2.555 0 50 FFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@@H](OCCO)C1 172048432 WNSDCGPHJQXQFH-OAHLLOKOSA-N 361.467 2.739 0 50 FFAA COc1ccc(CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 5526995 UIHMSPRQNLQMBM-UHFFFAOYSA-N 358.781 2.840 0 50 FFAA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)noc1C1CC1 126791525 WZCJZTDVSFQUMS-UHFFFAOYSA-N 350.396 2.922 0 50 FFAA CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCOc3cc(F)ccc32)C1 328595174 MZPPOEZXYJNKLM-HNNXBMFYSA-N 368.380 2.756 0 50 FFAA Cn1ncc2c(N[C@H]3CC(=O)Nc4ccccc43)nc(-c3ccncc3)nc21 72151392 PSGVEANQVPRLKA-INIZCTEOSA-N 371.404 2.921 0 50 FFAA COc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](O)C3(CC3)C2)cc1 375287760 IXVYMGBZDPPGIH-SFHVURJKSA-N 351.402 2.523 0 50 FFAA CCCSCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 72148303 QXNZZYGDKOYBCV-IBGZPJMESA-N 361.555 2.943 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](NC(=O)Nc2nnc(C3CCOCC3)s2)CCO1 333307729 DBCYRTHBWBOZJA-QWHCGFSZSA-N 368.503 3.147 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@@H](OCc3ccccn3)C2)cc1 215730764 UORIFKLBFQBZRL-GOSISDBHSA-N 360.479 2.666 0 50 FFAA Cc1csc([C@H](NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C(F)(F)F)n1 333631013 HOHAFUSEHJMIQU-ROHXPCBUSA-N 359.373 2.650 0 50 FFAA O=C(CCC[S@@](=O)c1cccc[n+]1[O-])c1ccc(Br)cc1 44125777 YDCDCIWLCAWEDY-NRFANRHFSA-N 368.252 2.853 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2F)CC1 13737276 WYOZUYQKDDYORU-UHFFFAOYSA-N 357.385 2.951 0 50 FFAA Cc1cc2nc(C(C)C)cc(N3CCN(Cc4ccncc4)CC3)n2n1 72436330 FXOSHBODXZMNOD-UHFFFAOYSA-N 350.470 2.878 0 50 FFAA CCCc1nc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)no1 222792952 SMQJCEPNEVRXGM-UHFFFAOYSA-N 356.470 2.860 0 50 FFAA Cn1c(SCC(=O)N2CCCCC2)nc2c(oc3ccccc32)c1=O 40456188 PBBXWPZEDNHJQB-UHFFFAOYSA-N 357.435 2.784 0 50 FFAA CCCc1oncc1C(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 82136830 DVFDZUGRIOMPHT-UHFFFAOYSA-N 355.438 2.729 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 176180213 XIZCICCJIVLPCW-CVEARBPZSA-N 373.432 2.598 0 50 FFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)c1 40285446 RQAYFVXSFUWJAD-LBPRGKRZSA-N 350.378 2.563 0 50 FFAA C[C@@H](NC(=O)N1CCC2(CCC(=O)NC2)CC1)c1ccc2[nH]ccc2c1 426488546 VHUZLGMGNGWBFS-CQSZACIVSA-N 354.454 2.931 0 50 FFAA COc1cccc(OC)c1CNC(=O)N1CCC(CCn2cccn2)CC1 426445189 YOHXANTYKOIPEP-UHFFFAOYSA-N 372.469 2.912 0 50 FFAA CCOc1ccc(CN2CCn3nc(CNC(C)=O)cc3C2)cc1Cl 82137163 KCUMSIYBLJVIEZ-UHFFFAOYSA-N 362.861 2.587 0 50 FFAA Cc1nc(C)c(C)c(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1 82133573 AJJZAMWAFGWETE-UHFFFAOYSA-N 369.517 2.774 0 50 FFAA NCCOc1ccc(F)cc1C(=O)NCC1(c2ccccc2)CCOCC1 426507865 LJYIKCYJZUKIDI-UHFFFAOYSA-N 372.440 2.641 0 50 FFAA COc1ccc(OCCCN)c(C(=O)N[C@@H]2COC3(CCCCC3)C2)c1 426465223 OYMZXJBMWKVRLM-HNNXBMFYSA-N 362.470 2.644 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)Cc2nn(CC)cc2Cl)cc1 20602695 QLLQSQJOGGLMLJ-UHFFFAOYSA-N 357.863 2.776 0 50 FFAA Cc1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)cc1NC(=O)CN(C)C 96152189 IBJAFOQDPGWXFH-INIZCTEOSA-N 362.474 2.528 0 50 FFAA CCOCCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426370625 SDBWPULSCFXKJB-UHFFFAOYSA-N 363.483 2.678 0 50 FFAA NC(=O)C1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 95481613 SSGGPSIXMRMJSJ-UHFFFAOYSA-N 351.410 2.537 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1cccc(Cl)c1Cl 426497386 UIDXAWGDWOADMC-GFCCVEGCSA-N 367.280 2.973 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cccc4c3CCC4=O)cc2C1 426530372 FKCMTEZBWXPTRA-UHFFFAOYSA-N 366.465 2.558 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c1C 91966342 SDRDTRRIBRINKN-DLBZAZTESA-N 359.401 2.681 0 50 FFAA CC(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91646082 TYKBOXDJMWOCES-DLBZAZTESA-N 354.450 2.752 0 50 FFAA O=C1CCC2(CCN(Cc3cc(F)ccc3F)CC2)CN1CCCO 91425106 SJURSJRXNWLKJX-UHFFFAOYSA-N 352.425 2.552 0 50 FFAA CCn1ccnc1[C@H]1CCCN(c2c(C(=O)O)cnc3c2c(C)nn3C)C1 91587454 JATSLSCHVKTKGJ-ZDUSSCGKSA-N 368.441 2.575 0 50 FFAA CCc1nc(C)c(Cc2nc(C3CC3)nn2-c2cccc(F)c2)c(=O)[nH]1 96131265 RMOSXDSYRJEUSV-UHFFFAOYSA-N 353.401 2.829 0 50 FFAA CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1 180400602 YTIACQIWDPQTKG-GFCCVEGCSA-N 373.434 2.967 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1n[nH]c2c1CCCCC2 244594203 DIDFEKDGAZGOHT-HXUWFJFHSA-N 352.482 2.742 0 50 FFAA CC(C)CCn1ccc2c(OCC(=O)NCCN3CCOCC3)cccc21 253412424 QYXTYOFJNLLNLW-UHFFFAOYSA-N 373.497 2.515 0 50 FFAA CCc1cnccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 182506959 DLWRNCWIUHCXRC-UHFFFAOYSA-N 357.841 2.896 0 50 FFAA Cc1ccccc1CN1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 183628910 OHANETZBMZQDTK-UHFFFAOYSA-N 363.465 2.671 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@H]1CC[C@H](n2cnnc2)CC1 253390005 VIOYYRAHVVTHMK-HDJSIYSDSA-N 358.833 2.801 0 50 FFAA CC[C@@H](C(=O)NCc1cc(-c2ccccc2Cl)on1)N1CCOCC1 299780142 IKCMCGNLUGATTE-INIZCTEOSA-N 363.845 2.722 0 50 FFAA Cc1noc([C@H](C)N(C)C(=O)c2ccc(Cl)cc2OCCCN)n1 299802624 UAKLADPHRXSDBE-JTQLQIEISA-N 352.822 2.592 0 50 FFAA COCCCN(C(=O)c1cccc(-c2cnccn2)c1)C1CCN(C)CC1 299796836 OQBLKWKLLZPLPE-UHFFFAOYSA-N 368.481 2.717 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)n1 299773603 DRROKCBPILUQEH-UHFFFAOYSA-N 351.410 2.659 0 50 FFAA COc1cccc2c1OC[C@H](N=c1nc[nH]c3sc(C(=O)O)c(C)c13)C2 649388440 GGDCVHVZINOADY-LLVKDONJSA-N 371.418 2.544 0 50 FFAA Cc1cccc(C)c1N[C@H](C)C(=O)NCc1nc(-c2ccncc2)n[nH]1 670449757 GFNNRKMXPQVMRN-CQSZACIVSA-N 350.426 2.600 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)C(C)(C)N2CCOCC2)c1 952864080 XUUKNJLSODFZEC-LJQANCHMSA-N 360.498 2.613 0 50 FFAA C[C@H]1CCN(C)c2ccccc2N1Cc1csc(CS(C)(=O)=O)n1 170648596 ORMNRDOOZBWIJS-ZDUSSCGKSA-N 365.524 2.923 0 50 FFAA Cc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2C)cnc1Cl 170647994 AHLDKDKWVIVOLK-SNVBAGLBSA-N 351.815 2.579 0 50 FFAA O[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)CC[C@@H]1N1CCCCCC1 1614377325 JXPHRXSCEJESSR-VXKWHMMOSA-N 368.525 2.743 0 50 FFAA CC(C)c1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)nc(N)n1 1506404828 VOWANULJIRKHJR-GOSISDBHSA-N 368.485 2.534 0 50 FFAA Cc1cc(F)ccc1N1CCC(NCCNC(=O)c2cccnc2)CC1 1506402550 JNLRGSASNPEGKM-UHFFFAOYSA-N 356.445 2.518 0 50 FFAA CCOC(=O)c1c(NC(=O)CSc2nnc(C)o2)sc(C)c1C 1018865 SAMFEKNHPPWCBD-UHFFFAOYSA-N 355.441 2.964 0 50 FFAA Cc1ccc(-c2nnc(NC(=O)CN(C)Cc3ccncc3)s2)cc1 1529171868 ABASPJXTKVDHFM-UHFFFAOYSA-N 353.451 2.979 0 50 FFAA c1ccc([C@H]2Cc3nnc(-c4csc(N5CCOCC5)n4)n3C2)cc1 1800413404 GBCIKNWBFGYAFP-AWEZNQCLSA-N 353.451 2.578 0 50 FFAA CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 1077842 FCMFWUYOZLZOQP-UHFFFAOYSA-N 352.500 2.845 0 50 FFAA Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 888644 ZDDRTFNTNAPYCT-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA aggregator CCCNC(=O)N1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 1775979904 PDYPZZBTJJLOEG-UHFFFAOYSA-N 355.841 2.676 0 50 FFAA Cc1ncccc1C(=O)NCc1cccnc1N(C)CCc1ccccn1 12435802 PDDRHMGYBNNVQA-UHFFFAOYSA-N 361.449 2.789 0 50 FFAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 13326748 WHDFLNZSZASKNG-UHFFFAOYSA-N 352.434 2.852 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 2851355 DETWJNAEPSVIMO-UHFFFAOYSA-N 363.435 2.964 0 50 FFAA O=C(c1cnccn1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 156269639 ZZCONJIMIMRQGP-UHFFFAOYSA-N 363.421 2.526 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N(C)CCn2cnc3ccccc32)c1C 1857679817 WVFPOWQIPGJATA-UHFFFAOYSA-N 367.453 2.601 0 50 FFAA COc1cccc(CN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1 1857702577 DDUUQACNCDLUSW-OAQYLSRUSA-N 352.434 2.945 0 50 FFAA COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC 643251 VKLPWUDURVCMDN-UHFFFAOYSA-N 370.405 2.874 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)[C@@H]1CCCc2ccccc21 332813308 PXTJCORLBZVBMR-IEBWSBKVSA-N 355.482 2.903 0 50 FFAA C/C(=C\C(=O)N(C)C[C@H]1OCC[C@H]1c1n[nH]c(C)n1)c1ccccc1F 952888734 MCJBSYAUDNYOGZ-PTTWRRFTSA-N 358.417 2.687 0 50 FFAA Cc1ccc(C2CC2)c(C(=O)N2C[C@H]3COC[C@@]3(c3nnc(C)o3)C2)c1 952848711 VFEFBNJYEKJONV-YWZLYKJASA-N 353.422 2.604 0 50 FFAA CN(C)c1nccc2cc(NC(=O)[C@@H](c3cscn3)N(C)C)ccc12 1875283775 FKQKOYZVNANHIM-MRXNPFEDSA-N 355.467 2.999 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cnccn34)cc2F)n1 1875322890 MBFGYBJGSOUYSR-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA Cc1cc(C(C)C)nc(N2CC[C@](C)(NC(=O)[C@@]34CC[C@@H](C3)OC4)C2)n1 1875405405 FVZZLHOASAZDTK-YSSFQJQWSA-N 358.486 2.563 0 50 FFAA COc1ccc([C@@](C)(NC(=O)c2c(C)nn3c2CCC[C@H]3C)C(=O)O)cc1 2325798958 LKNXWYIOIBIQFP-MPBGBICISA-N 371.437 2.827 0 50 FFAA C[C@H](NC(=O)c1cnc(N2CCNCC2)o1)c1cccc(C(F)(F)F)c1 2325801076 VCPQCAITOKRDPA-NSHDSACASA-N 368.359 2.594 0 50 FFAA CC(C)(CN)CC1CN(C(=O)[C@H](c2ccccc2)N2CCSCC2)C1 2325813217 YUBUCUOHIVGHGP-SFHVURJKSA-N 361.555 2.610 0 50 FFAA Cc1cnn(C2CCN(S(=O)(=O)NCc3ccc(Cl)cc3)CC2)c1 2325820355 QGKGRUUNQPZGQH-UHFFFAOYSA-N 368.890 2.516 0 50 FFAA CCCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325866871 CNIFEJOSFWBNHE-KBPBESRZSA-N 358.442 2.940 0 50 FFAA Cc1ccnc(C)c1C(=O)NC[C@H](C)NC(=O)c1ccc2cccnc2c1 2325871761 YDFRPBMJBJGKTH-AWEZNQCLSA-N 362.433 2.795 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@@H]2c2cccc(Cl)c2)C1 2325888495 YECAKPLHOMVDBK-NVXWUHKLSA-N 362.857 2.665 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)C1 2325889576 XJTYBPLSEKUMPP-YOEHRIQHSA-N 362.420 2.923 0 50 FFAA COc1ccc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 784003 VRUIHACDCLQICM-UHFFFAOYSA-N 372.490 2.968 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)NC(=O)N1 853928 ZYYOIICFZZJNDB-KSSFIOAISA-N 374.437 2.824 0 50 FFAA biogenic Cc1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1 2696813 ILZKHRWPBURAKV-UHFFFAOYSA-N 366.398 2.833 0 50 FFAA O=C(NCCCO)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc12 4005957 PNQIJUCURRTMMW-QZTJIDSGSA-N 352.434 2.859 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1 10302315 BVYUIZNOGPXMHN-LLVKDONJSA-N 364.389 2.706 0 50 FFAA CC1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1 101678157 IHQYFRQPZRCMCA-RNIPGJKVSA-N 364.445 2.870 0 50 FFAA CCOC(=O)CC1(NC(=O)CCC(=O)NC2CCCC2)CCCCC1 55073444 MPKPIJKRHXBOBV-UHFFFAOYSA-N 352.475 2.598 0 50 FFAA O=c1c2cnc3ncnn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 9290518 QSYRUBQDZBKUEL-UHFFFAOYSA-N 364.796 2.817 0 50 FFAA CNc1nc(N2CCC(CO)(C[C@@H]3CCCCO3)CC2)nc2c1CCC2 67759044 MDFBVYLEPCMTKT-HNNXBMFYSA-N 360.502 2.545 0 50 FFAA O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCCC1 24607574 MRUCOCMGSLVFQY-UHFFFAOYSA-N 370.902 2.504 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccc(OC)c(OC)c1 247911274 KIPWZZHLFXWYPZ-XHSDSOJGSA-N 361.438 2.579 0 50 FFAA Cn1nc(CC(=O)N[C@@H]2CCN(c3ccccc3F)C2)c2ccccc21 421575423 NVOVVSFTWUHJSY-CQSZACIVSA-N 352.413 2.650 0 50 FFAA Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc2c(c1)CCO2 252490150 KKLBYWAEGLYUHL-UHFFFAOYSA-N 355.419 2.916 0 50 FFAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)COc2ccc(C(N)=O)cc2)C1 121741393 KMXSILCTMJJFDC-NVXWUHKLSA-N 352.434 2.877 0 50 FFAA CCn1cc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)c(C)n1 2780833 AIXTVPPXXMLDAZ-LBPRGKRZSA-N 357.380 2.955 0 50 FFAA Cc1nnc(CN2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)o1 77393901 VHOZFFCQZAAZOW-NRFANRHFSA-N 368.481 2.825 0 50 FFAA NC(=O)COc1cccc(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 77354766 UFUMFLAUBKCBTA-GOSISDBHSA-N 368.412 2.903 0 50 FFAA Cc1ccc(N2CCC[C@@H](C(=O)NCc3ccc(CO)c(F)c3)C2)nc1 363779409 OKCRKKSEMRQLEM-MRXNPFEDSA-N 357.429 2.554 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@@H](C)Sc2ccccn2)CC1 72424110 ZKEGCVIPODARNH-MRXNPFEDSA-N 356.495 2.610 0 50 FFAA C[C@@H](N)[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 156406916 SDTQAMXSDXWOIZ-CABCVRRESA-N 350.890 2.974 0 50 FFAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cccc(NC(=O)C2CC2)c1 369522540 YOXHLLYKARPOBH-AWEZNQCLSA-N 352.438 2.566 0 50 FFAA COc1ccc(CN2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cc1 72447353 UHIUCNRNCKQAGW-SFHVURJKSA-N 369.513 2.799 0 50 FFAA Cc1ncc([C@@H](C)NCCC(=O)N2CCOc3ccccc3C2)c(C)n1 370541883 LETXJGWMVPFDGR-CQSZACIVSA-N 354.454 2.555 0 50 FFAA Cc1cc(C)c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(=O)[nH]1 72407811 GQJDVKHJXLEQBO-UHFFFAOYSA-N 367.493 2.772 0 50 FFAA c1nc([C@H]2CCCO2)sc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 333512745 FMWMKUSZRGGFQF-YNEHKIRRSA-N 362.455 2.970 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Cc2nc(-c3ccccc3)oc2C)n1 218807275 QAACAXXDYMHGNS-UHFFFAOYSA-N 353.426 2.607 0 50 FFAA CN(C)CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2ccno2)cs1 77439216 LAZIQRSDWXPXMB-CQSZACIVSA-N 369.512 2.898 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cccnn2)CCCN1Cc1ccc(F)cc1 71755094 ARIGQMKQXABJIR-IBGZPJMESA-N 356.445 2.988 0 50 FFAA COc1cc2c(cc1CN1CCNC(=O)[C@@H]1c1cccc(F)c1)CCC2 216068427 NYJYICIOLKPLFS-FQEVSTJZSA-N 354.425 2.996 0 50 FFAA CCN(CC)S(=O)(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 71750344 VQXRBIOJEWKWTF-UHFFFAOYSA-N 371.409 2.565 0 50 FFAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)Cc3ccn[nH]3)cc2c1 72474655 NXMYUQSNFYYINB-IBGZPJMESA-N 365.481 2.859 0 50 FFAA Cc1nc(C)c(S(=O)(=O)N2C[C@@H](n3ccnc3)Cc3ccccc32)s1 176502102 XFNRPINEIRLRBT-HNNXBMFYSA-N 374.491 2.949 0 50 FFAA CCc1nccn1CCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C[C@@H]1C 82108044 RMZFJBOGRAVLKI-AWEZNQCLSA-N 374.872 2.753 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 426386240 BDJHXILBGPLZFV-IBGZPJMESA-N 366.465 2.804 0 50 FFAA O=C(CCN1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1)NC1CCCCC1 91381892 YRLLXMCQXLASFN-ZWKOTPCHSA-N 362.445 2.765 0 50 FFAA COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CC1 97570742 ABBJGXRBKFWTHZ-WOJBJXKFSA-N 371.525 2.604 0 50 FFAA CN(C)c1cncc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95374188 DXFAUIWTIWUKGC-CQSZACIVSA-N 369.498 2.628 0 50 FFAA Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)cnc2ccnn12 97572100 PLQLIVFIZCQETH-GOSISDBHSA-N 367.428 2.744 0 50 FFAA CC(C)CN(Cc1ccccn1)C(=O)c1cnc(-c2cccnc2)nc1O 91943190 VCRCLYBUGGUCEA-UHFFFAOYSA-N 363.421 2.938 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)C1 91757204 IUJPSUFCCHVHOF-ZDUSSCGKSA-N 368.412 2.903 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)on1 91586584 CLEFIGSUYKOVRY-UHFFFAOYSA-N 368.437 2.993 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCC(N4CCOC4=O)CC3)oc2c1 91645768 NESVWHDBQUHNJM-UHFFFAOYSA-N 358.394 2.807 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)CCCn2nc(C)cc2C)cn1 91965189 MBJBRCHNTNFOPL-UHFFFAOYSA-N 367.453 2.857 0 50 FFAA CCc1nnc(CN(C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)o1 96132827 PUCUVPQKMUICGI-UHFFFAOYSA-N 357.414 2.731 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 95499395 QNDBLIRBDVVTML-INIZCTEOSA-N 357.454 2.869 0 50 FFAA O=S(=O)(CCn1cc(-c2ccccc2-c2ccco2)nn1)N1CCCC1 91445035 PGIAQCXVORPHAO-UHFFFAOYSA-N 372.450 2.631 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1)n2C 97657241 OITFTFAFMGGWCZ-LJQANCHMSA-N 361.445 2.670 0 50 FFAA COc1cccc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c1 91914811 NNGASGHCBFXGRX-ZWKOTPCHSA-N 366.465 2.545 0 50 FFAA CSCC1CCN(C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)CC1 95500480 ZTQXWPNCPYFUTQ-GOSISDBHSA-N 360.523 2.679 0 50 FFAA NC(=O)C[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1cccc(Cl)c1 267782686 YOYWPVVXPXIYPZ-CYBMUJFWSA-N 364.854 2.821 0 50 FFAA CCc1c(C)nn(CCNC(=O)Cn2c(C)cc(=O)c3ccccc32)c1C 244884449 YMVHLDRRCOOSCP-UHFFFAOYSA-N 366.465 2.502 0 50 FFAA CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 252507343 WIQCRPUWWRFGQG-HNNXBMFYSA-N 370.478 2.507 0 50 FFAA O=C(c1nc2ccccc2[nH]1)N1CCCN(C2Cc3ccccc3C2)CC1 252482076 CXKVZRMZWWBYEG-UHFFFAOYSA-N 360.461 2.878 0 50 FFAA CC[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1cccc(C)n1 252484323 FUHXMKQKEVFANF-GOSISDBHSA-N 366.465 2.905 0 50 FFAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C 253612044 WKFXHNDWEHDGQD-QKQPPGAZSA-N 350.499 2.681 0 50 FFAA CSCCN1CCN(C(=O)c2ccc(-c3cn(C)nc3C)cc2)CC1 534664811 XMQQPOQIKCOGGE-UHFFFAOYSA-N 358.511 2.516 0 50 FFAA CC(=O)Nc1cccc2c1CCN(Cc1cc(-c3cnn(C)c3)no1)C2 184986159 FHRPGHDUOBJUDM-UHFFFAOYSA-N 351.410 2.592 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)c2ccccc12 534646694 KRVYGLBHDUEDMA-KRWDZBQOSA-N 374.444 2.943 0 50 FFAA O=C(NCCc1ccccc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616524 JFRNUUUWWZFZQG-GOSISDBHSA-N 366.396 2.661 0 50 FFAA Cc1ccc(-c2cc(CNS(=O)(=O)c3ccnn3C(C)C)no2)cc1 534652330 YPIBQZXEVNYODU-UHFFFAOYSA-N 360.439 2.906 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1ccc(CO)o1)CC2 299795851 NMVJOVKCVOEIGF-MOXGXCLJSA-N 358.438 2.758 0 50 FFAA CCc1nnc(CNC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)o1 299793241 HKAPOJDWFGGXCY-UHFFFAOYSA-N 371.441 2.970 0 50 FFAA CN(CC1CCOCC1)C(=O)N[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 584893641 MAAJXPFASSEYTP-OAHLLOKOSA-N 365.861 2.513 0 50 FFAA O=C(CCn1cnc2ccccc21)NC1CCN(C2CCSCC2)CC1 952968825 OBRIJMOKGMNCSI-UHFFFAOYSA-N 372.538 2.903 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 952860159 GPGAFUVSPULZHI-IBGZPJMESA-N 365.477 2.962 0 50 FFAA O=C(c1cccnc1O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565527001 XIPWMIXWQLBATO-WBVHZDCISA-N 355.413 2.663 0 50 FFAA CN(C)c1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)cn1 1565526465 JUUITDSICOPQMU-ICSRJNTNSA-N 364.493 2.884 0 50 FFAA Cc1nc([C@@H](NC(=O)c2cc(N3CCCC3)ccn2)c2ccccc2)n[nH]1 194567652 CFNRAISWUYKTNL-SFHVURJKSA-N 362.437 2.628 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)Cc2sccc2C)OCC(=O)N1C 1529195713 NWIPOPBMQHAHCA-MOPGFXCFSA-N 372.490 2.922 0 50 FFAA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(O)c2)c1 1136463 AJLAUYWWGDVVSM-UHFFFAOYSA-N 354.815 2.548 0 50 FFAA COc1cccc(CN2C[C@H](C(=O)NCc3ccc(C)o3)CCC2=O)c1 12073335 UZDRZUUTESZDQS-MRXNPFEDSA-N 356.422 2.652 0 50 FFAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC(C)C)C3)nn1 12163821 XGCOSKVDCJHHJS-CQSZACIVSA-N 359.401 2.757 0 50 FFAA COC(=O)CC[C@H](C)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12470112 KHUUWXPSSUSHLI-LBPRGKRZSA-N 358.394 2.770 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12693561 MUZJPBMEUHBVQR-STQMWFEESA-N 362.813 2.628 0 50 FFAA CCCNC(=O)[C@H]1C[C@@](C)(C(=O)OC)N(C)[C@H]1c1ccccc1Cl 14973523 VXBODNZECODQRM-YEWWUXTCSA-N 352.862 2.791 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)c4ccc(C)c(C)c4)nnc3c2)n1 169776147 KLMJZJBUYULMFY-UHFFFAOYSA-N 362.393 2.635 0 50 FFAA COc1cc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)cc(OC)c1OC 2994868 UHNKIPDBLYFLBF-SGTLLEGYSA-N 373.405 2.671 0 50 FFAA Cc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1Cl 1857680940 RZDRORPBNNMJSL-YRNRMSPPSA-N 373.884 2.980 0 50 FFAA COc1ccc2[nH]c(=O)c(-c3nccn3C3CCN(C(C)=O)CC3)cc2c1 1857687379 VCSDCQJSZDVULU-UHFFFAOYSA-N 366.421 2.584 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)ccn1 1857712663 KZKAIQYUWIYSEI-JRBPQWBISA-N 369.490 2.865 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccncc3)C1)CC2 1857729183 MDHMCYRHHVPVPW-OAQYLSRUSA-N 366.465 2.995 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C2CC2)O1 1857734025 AKCKGTNBBGRTFJ-VQIMIIECSA-N 372.465 2.852 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C[C@H]1N 1857734866 WHPXZPGGTIEFCK-KFKAGJAMSA-N 374.460 2.550 0 50 FFAA Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)c1 1875250185 DSFRFYDMBDHPCX-TVKQPGBESA-N 369.490 2.865 0 50 FFAA COc1ccc(Cl)c2c1N(C(=O)c1ccc(S(C)(=O)=O)o1)CCC2 332048047 MAERBUHDBKYYBL-UHFFFAOYSA-N 369.826 2.938 0 50 FFAA CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C3CCCC3)C2)s1 333819168 HEPLBXZTFBRPJV-ZDUSSCGKSA-N 356.513 2.873 0 50 FFAA C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[C@@H](CNc2ccccn2)C1 246184179 VBYUEWHEBQZZGO-RDJZCZTQSA-N 356.445 2.659 0 50 FFAA Cc1ccccc1CN1CCC[C@@H](n2cc(C(=O)NCC(C)C)nn2)C1 14978824 AHPVHLRKNIOOBG-GOSISDBHSA-N 355.486 2.809 0 50 FFAA COc1ccccc1/C(C)=C/C(=O)N1C[C@@H](C)O[C@@H](c2nc(C)no2)C1 862911849 SQPLXIJQYXBGTQ-QZWYOBMBSA-N 357.410 2.779 0 50 FFAA Cc1nn(CC(=O)N(C)C2CCC(C)CC2)c(C)c1[C@H]1COCCN1C 952891953 AZRPHTTUAPLMSK-IUPXNIOVSA-N 362.518 2.540 0 50 FFAA NC[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc23)C2(CCC2)C1 1875306074 RRTGIQFCOPUOLB-GFCCVEGCSA-N 365.886 2.780 0 50 FFAA CCN(Cc1ccccn1)C(=O)c1c2c(nn1CCOC)[C@H](C)O[C@H](C)C2 1875314727 OMRFURRTGIFRQP-CABCVRRESA-N 372.469 2.609 0 50 FFAA Cc1nnc([C@@H]2CN(C(=O)[C@H]3C[C@@](F)(c4cccc(F)c4)C3)CCO2)o1 1875310251 KIJJHDCTRSRDEY-QITLCBANSA-N 363.364 2.692 0 50 FFAA FC(F)(F)c1nc(-c2noc(Cc3cnn(-c4ccccc4)n3)n2)co1 1875312939 KYQBALYUMKEBIC-UHFFFAOYSA-N 362.271 2.915 0 50 FFAA Cc1nc(C)c(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)o1 1875319351 YWTCYHDXYRZVHP-UHFFFAOYSA-N 354.332 2.668 0 50 FFAA O=C(NC[C@]1(CN=c2cnc(F)c[nH]2)CC12CCC2)[C@@H]1CCC[C@H]2C[C@@H]21 1875408422 WHKXETUXLKMRLW-LDNFRZNASA-N 358.461 2.562 0 50 FFAA CCc1nn(C)c(CC)c1CNC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 888078720 PIRQUQDLCKRTSQ-GUYCJALGSA-N 359.474 2.673 0 50 FFAA C[C@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC2(CCCCC2)O1 888093942 MXESXFSFGOKSQZ-INIZCTEOSA-N 374.485 2.874 0 50 FFAA CCC[C@]1(C(=O)O)CCN(c2cc(C)nc(-c3ccccc3O)n2)C[C@@H]1O 2100544639 CHZQFBQMWFUEAH-JXFKEZNVSA-N 371.437 2.600 0 50 FFAA Cc1ccc([C@@]23C[C@H]2CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C3)cc1 2325779134 INPGOUHEEVQMOT-AVRDEDQJSA-N 363.461 2.696 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N3CCCC[C@H]3CCCN)cc2s1 2325788908 QTKGZJSYQOMYIG-ZDUSSCGKSA-N 353.513 2.887 0 50 FFAA Cc1ccccc1[C@@H](CN(C)C)NC(=O)c1ncoc1[C@H]1CCCCN1 2325801839 YBQCLFNVRQPQEM-IAGOWNOFSA-N 356.470 2.830 0 50 FFAA Cc1cccc(-n2nc([C@@H]3CN(C)CCO3)nc2CC[C@@H]2CCCO2)c1 2325849772 ZWKXEQBETJWQLA-ROUUACIJSA-N 356.470 2.690 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nccn2C)nc1C 917838 MJPHQEPGHGFGFG-JTQLQIEISA-N 368.484 2.871 0 50 FFAA CCCOc1ccc(CCNC(=O)[C@@H](N)C(C)(C)SC)cc1OC 2356148591 HNWSSFWJDCIPHS-MRXNPFEDSA-N 354.516 2.612 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C2CCN(CCc3ccccc3)CC2)CC[C@@H]1O 2356152781 AJFZSWUNZLDQHK-RBBKRZOGSA-N 374.525 2.631 0 50 FFAA C[C@H](C(=O)N1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2774875 BAXUBJJBQJFISJ-MRVPVSSYSA-N 351.756 2.853 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)ccc1Cl 101357966 ZMXYCMLPIJUOQE-QHSBEEBCSA-N 357.793 2.828 0 50 FFAA O=C([C@H]1CSCN1C(=O)C[C@@H]1CCc2ccccc2C1)N1CCCC1 224560733 SARANMZOEFGESB-CRAIPNDOSA-N 358.507 2.706 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nncn3C3CC3)CC2)c2c(C)noc2n1 110811301 BKNLBXFPUXXHQW-UHFFFAOYSA-N 366.425 2.786 0 50 FFAA CSc1ccc2c(C)cc(NCCN3CCC[C@@H](C(N)=O)C3)nc2c1 55042260 MIPXQBHFHNGNAP-CQSZACIVSA-N 358.511 2.874 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1nc2c(s1)CCC2 61718021 QIRZZWYJBUOVLR-UHFFFAOYSA-N 358.448 2.556 0 50 FFAA CC(C)Cn1c(CN2CCN(c3ncc(F)cn3)CC2)nc2ccccc21 65369809 XXYSDEZJVAGIDO-UHFFFAOYSA-N 368.460 2.944 0 50 FFAA COc1ccccc1[C@@H](C)N(C)C(=O)Cn1cnc2ccccc2c1=O 67740565 SOIAWYMLVOSHNS-CQSZACIVSA-N 351.406 2.625 0 50 FFAA O=C(Nc1n[nH]c(CCC2CCCC2)n1)[C@@H]1CCCN(c2ncccn2)C1 170625119 KBTYMSGCWQDVDX-OAHLLOKOSA-N 369.473 2.573 0 50 FFAA Cc1c(-c2nc(CC3CCN(C)CC3)no2)nnn1Cc1ccccc1 67983524 FUEMYOJIKPDECM-UHFFFAOYSA-N 352.442 2.569 0 50 FFAA O=C(O)c1[nH]ncc1CN1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 67676734 DEQOKWPMNUMKND-OAHLLOKOSA-N 365.437 2.801 0 50 FFAA O=C(NCc1cccc2cccnc12)Nc1cnn(C[C@H]2CCCO2)c1 120260137 WYNJSQIYFHXJEA-QGZVFWFLSA-N 351.410 2.932 0 50 FFAA C/C(=C\C(=O)NCCc1nnc(S)n1C)c1ccc(C(F)(F)F)cc1 171724937 MJPJOUWCXRCBGB-MDZDMXLPSA-N 370.400 2.885 0 50 FFAA COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 219965916 CYXLLUKMDKIMSO-UHFFFAOYSA-N 365.861 2.759 0 50 FFAA Cc1ncsc1CCN(C)Cc1cc(Cl)ccc1OCC(N)=O 215614153 WBSPDYOZAZATSR-UHFFFAOYSA-N 353.875 2.644 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cnn(C)c2C)n2ncnc2N1 6925125 LMWJOLWDDKZHMA-QGZVFWFLSA-N 363.425 2.556 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3c(Cl)cnn3C)CC2)o1 215145783 ZCLRMVIFFDWWGK-UHFFFAOYSA-N 350.850 2.617 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3[nH]cnc3-c3ccccc3)CC2)OC1=O 72157104 RIHRIAXKNNZRIG-LJQANCHMSA-N 354.410 2.524 0 50 FFAA CCOCCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72481477 DXOCNVSZGIVLRS-DOTOQJQBSA-N 364.511 2.557 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72163303 UVPLTXHQLFVYEJ-FQEVSTJZSA-N 368.437 2.832 0 50 FFAA COCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCCC3)cc2)CC1 12471705 DCGLIMOEJOSNBW-UHFFFAOYSA-N 374.481 2.765 0 50 FFAA CCn1c(C)ccc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)c1=O 215195153 RSLGWUUWKGFEDF-LJQANCHMSA-N 368.481 2.529 0 50 FFAA Cc1ncsc1CCN(C)C(=O)COCc1nc2ccc(F)cc2[nH]1 72475076 TYYQHJZBBSPNAR-UHFFFAOYSA-N 362.430 2.685 0 50 FFAA CCN1CC2(CCN(Cc3ccc(OC)c(OC)c3OC)CC2)OC1=O 72479240 SQFZAIJYAMRUKY-UHFFFAOYSA-N 364.442 2.519 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 153918890 DRKCTBQRMYHWJC-NRFANRHFSA-N 371.440 2.965 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)CN3CCc4ccccc43)C[C@H]2N(C)C)cc1 77406352 BYSYPKPXGFOPJY-RBBKRZOGSA-N 363.505 2.914 0 50 FFAA Cc1nc(O)cc(C2CCN(Cc3nc(-c4ccccc4)no3)CC2)n1 72129552 KFOMHRDYFDCGSR-UHFFFAOYSA-N 351.410 2.920 0 50 FFAA O=C1CSc2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2N1 261657956 KJPKIKPTJFKACH-HONMWMINSA-N 360.435 2.589 0 50 FFAA CN(Cc1nccn1Cc1ccccc1)C(=O)CC1=CSC2=NCCN12 218897079 GNNDYXRQPOOCSP-UHFFFAOYSA-N 367.478 2.540 0 50 FFAA CCCc1cc(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)ccn1 72169203 BWWCPTOJZVIFOF-FQEVSTJZSA-N 365.477 2.998 0 50 FFAA Cc1ccccc1CCNC(=O)CN1CC[C@@H](OCc2c(C)noc2C)C1 375169820 BYXZZMCMGSCNMU-LJQANCHMSA-N 371.481 2.550 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(CO)c(F)c1 284540530 GUTGCAXEEDHGKT-DNVCBOLYSA-N 356.441 2.702 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)n1 82157468 OUNOPLBJBVNYCQ-MRXNPFEDSA-N 370.453 2.751 0 50 FFAA COCc1nc([C@@H]2CCOC2)cc(N2CCN(Cc3cccs3)CC2)n1 426419768 MRQLIAWXISBIEW-OAHLLOKOSA-N 374.510 2.511 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](CCn1cncn1)c1ccccc1 82108736 BHAPGJZWBZWNGE-LJQANCHMSA-N 366.469 2.509 0 50 FFAA O=C(Cc1ccccc1Cl)N1CCC(CO)(CN2CCCC2)CC1 223115086 QBRLGBZEQHQJTK-UHFFFAOYSA-N 350.890 2.579 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)NCCc2nc3ccccc3n2C)no1 426716265 YSHIVZGCXUKUKP-UHFFFAOYSA-N 370.457 2.506 0 50 FFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2noc(C(C)C)n2)cc1 223420720 PGLRPIXCWUJGOZ-HZPDHXFCSA-N 359.426 2.784 0 50 FFAA CC(C)N1C[C@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)CC1=O 426431113 MGVOJRXOGZFSIP-ZDUSSCGKSA-N 365.861 2.501 0 50 FFAA O=C(NC[C@H]1OCCc2ccccc21)C1CCN(Cc2ccco2)CC1 95384776 JVKNVZUKRHDBPU-HXUWFJFHSA-N 354.450 2.922 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)CCc2ccccc2F)CC1 91519056 VDGRKDLATVBTGZ-UHFFFAOYSA-N 372.488 2.923 0 50 FFAA O=C(c1coc(CN2CCOCC2)c1)N1CCC(c2cccc(O)c2)CC1 97653966 KTNXBFTZRXTHLU-UHFFFAOYSA-N 370.449 2.837 0 50 FFAA CCCc1cc(N2CCC(N(C)CCc3cnn(C)c3)CC2)nc(C)n1 95496554 ATWWZVMIKJCVTR-UHFFFAOYSA-N 356.518 2.614 0 50 FFAA CS(=O)(=O)CCN1CC(c2ccccc2)(c2ccccc2)CCC1=O 91951308 MPZTWSGRQMHHMS-UHFFFAOYSA-N 357.475 2.640 0 50 FFAA O=C1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCC2)O1 97475632 FKFOFRLTTWKONR-SFHVURJKSA-N 356.466 2.643 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(COC)s2)C1 95509187 VHRVMKZEJAEGGA-CQSZACIVSA-N 363.483 2.757 0 50 FFAA CN(C1CCNCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 237123384 FPSLEYHYOXXCPV-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA Cc1nc(NCCN2CCC[C@@H](c3ccccc3)C2)c2cnn(C)c2n1 95358323 DDBCYVXZMZHCLY-QGZVFWFLSA-N 350.470 2.963 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 92061912 DFCHGUIENSSPGC-UHFFFAOYSA-N 350.422 2.697 0 50 FFAA Nc1ncc(C(=O)NCCCN2CCc3ccccc32)c(-c2ccccc2)n1 97604226 DEULNAARVJWVRW-UHFFFAOYSA-N 373.460 2.908 0 50 FFAA Cc1ncnc(N[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c1C 91665762 IYGDGOFRULMMEE-INIZCTEOSA-N 368.485 2.846 0 50 FFAA CCSc1ccc([C@@H](C(=O)O)N2CCN(c3cnccn3)CC2)cc1 95385877 LLLJAXQFGZJRDR-KRWDZBQOSA-N 358.467 2.537 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cs1 244874643 XEVLCISIEZSUBW-BZSNNMDCSA-N 357.475 2.992 0 50 FFAA C[C@H](CCC(=O)N1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCC1 299793533 GTCSJILWWQQRGH-MRXNPFEDSA-N 365.468 2.874 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)c1cnc(-c2cccnc2)nc1 299785171 JQGRPSUQGAEESZ-UHFFFAOYSA-N 364.409 2.899 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1 299782299 PMGXDBMEVWLWAE-HNNXBMFYSA-N 363.421 2.617 0 50 FFAA Cc1ccc(C2(O)CCN(C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 299775422 DBIIXYJSFUIUHN-GOSISDBHSA-N 365.477 2.727 0 50 FFAA Fc1cc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc(F)c1F 299784429 GZRRMGYUHNAQLT-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)NCc1ccc2c(c1)nc(C)n2C 584888228 WPSJDYCENSQXBV-LJQANCHMSA-N 367.453 2.806 0 50 FFAA COC(=O)N1CCCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 1342676626 OLABTOWRHSQEDA-UHFFFAOYSA-N 358.360 2.939 0 50 FFAA Cc1nc(CCCNC(=O)c2ccccc2N2CCOCC2)sc1C 952979991 WXKXOUPSKIKTNH-UHFFFAOYSA-N 359.495 2.959 0 50 FFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 268935946 HKNIJECRIHRKRW-LAQRGFTBSA-N 370.449 2.822 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)cccc2c1 408132185 IPNHRUJLPGIXFC-HZPDHXFCSA-N 362.495 2.961 0 50 FFAA C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cn(Cc2ccccn2)nn1 274282452 VQFLRIYEMKJTCK-OAQYLSRUSA-N 361.449 2.959 0 50 FFAA COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1COCCN1CC1CCC1 187364937 IDCZTCGKACMFRK-XJKSGUPXSA-N 350.434 2.512 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc4ccn(C)c34)CCO2)c1 190051371 POXGEXTXRLXKDF-MRXNPFEDSA-N 353.426 2.616 0 50 FFAA COc1ccccc1[C@@H](CNc1cc(N2CCOCC2)ncn1)OC(C)C 192358538 ZNUXSLAQLMUJJR-GOSISDBHSA-N 372.469 2.900 0 50 FFAA CNc1ncnc2c1cnn2C[C@H](O)c1ccc(OC(F)(F)F)cc1 193757158 URMLQFZGWLMEME-LBPRGKRZSA-N 353.304 2.500 0 50 FFAA O=C(COCc1ccccc1)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 1704298409 JKKGLLIACLLZAG-LJQANCHMSA-N 356.466 2.620 0 50 FFAA CNC(=O)Cc1nc(C2(c3ccc(Cl)cc3)CCC2)n([C@@H]2CCOC2)n1 1772807576 PIEZDWFLQHOSRS-OAHLLOKOSA-N 374.872 2.651 0 50 FFAA Cc1nc(C(=O)N2CCCN(c3ncnc4ccccc34)CC2)cs1 1772819045 OIOXXRQCIJYYKG-UHFFFAOYSA-N 353.451 2.747 0 50 FFAA CN(C[C@H]1CCCCO1)c1nc2nonc2nc1NCc1ccccc1 11841931 IKGARZHDMRXQEQ-CQSZACIVSA-N 354.414 2.630 0 50 FFAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 12448174 BKOOKNCYGRLVNV-SFHVURJKSA-N 356.470 2.742 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)o1 15064640 CZRZFYOWDCPTEC-LJQANCHMSA-N 364.392 2.510 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 2961318 OAPCEWJGXFIKEB-UHFFFAOYSA-N 362.813 2.655 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCN(CCc2ccccc2)CC1 4750580 NRCZYMNIWUSEHQ-UHFFFAOYSA-N 353.422 2.808 0 50 FFAA C[C@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)[C@H]1CCCO1 6698496 DGWGGUFFIOUBAC-TVQRCGJNSA-N 366.211 2.853 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2sc(N3CCOCC3)nc2C)on1 1857709380 UXWNYUXVSZFGRO-CYBMUJFWSA-N 362.455 2.562 0 50 FFAA Cc1nc(C)c(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)o1 1857715106 BSGSPWXZBJYDTP-OALUTQOASA-N 369.465 2.970 0 50 FFAA COc1c(C(=O)O)cc(-c2cc(C)c3nc(C)nn3c2)c(OC)c1OC 1875246354 NFUIEOPBNNUJDE-UHFFFAOYSA-N 357.366 2.737 0 50 FFAA CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)C[C@@H]1CCC(=O)NC1 333605826 DINWXOQUHKIZEH-AWEZNQCLSA-N 363.889 2.684 0 50 FFAA C[C@@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 237586482 WDCHMVZECUHZPO-GDBMZVCRSA-N 358.511 2.727 0 50 FFAA CN(C[C@@H](O)C1CC1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 150836475 GGWKENXAYMKUNK-CQSZACIVSA-N 351.353 2.521 0 50 FFAA CCc1nsc(N2CCN(C(=O)NCCc3c(C)cccc3C)CC2)n1 164759486 VIZXFISDEMMYON-UHFFFAOYSA-N 373.526 2.792 0 50 FFAA O=C(c1nnc(-c2cscn2)o1)N1CC2(CCC2)[C@@H]1C1CCOCC1 902694875 RBDRWLKSMQHHIV-ZDUSSCGKSA-N 360.439 2.614 0 50 FFAA COc1cc(N2CCN(C(=O)c3nccc4occc34)CC2)ccc1F 854381114 ZGAGNOVGILXHKB-UHFFFAOYSA-N 355.369 2.938 0 50 FFAA CC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3cccs3)cnc2O)C1 1875283425 RTXIYDUHOFSGSW-CYBMUJFWSA-N 359.451 2.504 0 50 FFAA CCOC(=O)Nc1scnc1C(=O)N[C@@H]1[C@H](C)[C@H](OC)C12CCC2 1875263144 GWGBJMJKGXZLKD-WCQGTBRESA-N 353.444 2.645 0 50 FFAA C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 1875255989 OMMPXLSQSSMMJY-RHSMWYFYSA-N 370.415 2.960 0 50 FFAA CCOc1cccc(CNC(=O)N2CCC[C@]23CCC[S@](=N)(=O)C3)c1 1875393789 STPAKUPZEFDZNW-CJAUYULYSA-N 365.499 2.970 0 50 FFAA Cn1cc(NC(=O)c2csc(-c3cnc[nH]3)n2)c(-c2ccccn2)n1 1875361812 CRWPIWLDFWUTAT-UHFFFAOYSA-N 351.395 2.581 0 50 FFAA COc1ccc(CC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@H]32)c(Cl)c1 2325739317 LISAIQMKOCGMQC-MAZHCROVSA-N 350.846 2.536 0 50 FFAA COC(=O)c1nc(N2CCN(c3ccccc3O)CC2)c2sccc2n1 2325802110 IKQBSWFVETZYMG-UHFFFAOYSA-N 370.434 2.510 0 50 FFAA Cn1nc2ccccc2c1S(=O)(=O)NCCSCc1ccccc1 2325823376 QFYLIFIJMKXDNI-UHFFFAOYSA-N 361.492 2.785 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cc3cc(C)ccc3nc2O)CC[C@@H]1O 2356157441 LAPCQFNPXDVSPU-FXAWDEMLSA-N 358.438 2.687 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@@]2(CCc3c[nH]c(=N)nc32)C1 2356158379 ZPYVFUZLDRQNSO-LJQANCHMSA-N 372.856 2.671 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 6742286 BBIVYBWGMMORSX-IRXDYDNUSA-N 364.873 2.875 0 50 FFAA Cc1c(Cl)cccc1NC(=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 8682396 MVPCNOUXPUVTFY-OAHLLOKOSA-N 367.902 2.668 0 50 FFAA COc1cccc(N2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)c1 57391174 KYASYCYQNPZRCU-UHFFFAOYSA-N 373.884 2.787 0 50 FFAA COCCN(Cc1cnc(-c2cccc(C)c2)nc1)C1CCN(C)CC1 55183313 GEKKUBJFJAOWPA-UHFFFAOYSA-N 354.498 2.995 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(COc3cncc(Cl)c3)on2)n[nH]1 12305649 AQMOEICLTMLIBU-UHFFFAOYSA-N 361.789 2.606 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc2ccccc12 101293059 XVOXUKFNOUYBHZ-IQGAEYHTSA-N 360.413 2.976 0 50 FFAA CCc1ccc(CN(CCOC)C(=O)C(=O)Nc2nc(C)cs2)cc1 55090697 QNKBACAKLVOPJQ-UHFFFAOYSA-N 361.467 2.628 0 50 FFAA O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1CCc1ccccc1 100791566 ATCSQWXDUDDCQK-OAQYLSRUSA-N 373.456 2.896 0 50 FFAA biogenic CC(C)(NC(=O)c1cccs1)C(=O)NC[C@H]1CCc2ccccc2O1 55154927 FEPDICMAKZDCCN-CQSZACIVSA-N 358.463 2.767 0 50 FFAA COc1c(C)cc([C@@H](C(=O)O)N2CCC(Oc3ncccn3)CC2)cc1C 55197386 GVRIDQWWULIYSL-KRWDZBQOSA-N 371.437 2.771 0 50 FFAA COc1cc(Cl)cc([C@@H]2CC(=O)NCc3nc(N)sc32)c1OC 65382052 YHPMRQSKLJWADK-VIFPVBQESA-N 353.831 2.548 0 50 FFAA Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1 23128976 FOPXUDOUFOSDCF-KRWDZBQOSA-N 369.513 2.786 0 50 FFAA CCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 67851626 HYCPMFMLZXIJGL-HXUWFJFHSA-N 365.437 2.893 0 50 FFAA Cn1ccnc1CN(C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 67819889 DFMLLDGCQPBBCF-HNNXBMFYSA-N 353.344 2.664 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)nc(C)n1 65365919 NFCAKQSYQLZAQA-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA Nc1ccnc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n1 67965775 GAWTULXALKQBNG-UHFFFAOYSA-N 366.387 2.899 0 50 FFAA O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cnccn2)CC1 171596871 UZWSSCPHSOTVPL-LJQANCHMSA-N 369.444 2.989 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](NC[C@H](O)c2ccccc2)C1 252487005 RFXNQOSKFKQADW-QKLQHJQFSA-N 364.445 2.917 0 50 FFAA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc1OC 4387082 PLLOEIRUORUPCR-ZDUSSCGKSA-N 351.358 2.986 0 50 FFAA COc1cc(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)cc(OC)c1OC 5029751 KWGFIMMPAQUONA-KRWDZBQOSA-N 374.368 2.983 0 50 FFAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC(Oc2ncccn2)CC1 215499677 BNTOFOGIBCOGEA-SFHVURJKSA-N 366.465 2.627 0 50 FFAA CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H]1CCO[C@@H]1C(C)C 328618368 DRRBHEVRPTUDLU-VQIMIIECSA-N 364.534 2.531 0 50 FFAA O=C(NCc1ccncc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)/C=C/c1ccccc1 230205985 ZTZUQSOHOVQRJQ-PCBLIFGXSA-N 361.445 2.791 0 50 FFAA CC1(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CCCCC1 72436948 SCNQFOGOGJISJD-UHFFFAOYSA-N 370.540 2.988 0 50 FFAA O=C1NC[C@@]2(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)O1 72162081 QMVYOMVUQXUQDN-IBGZPJMESA-N 371.462 2.844 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC(CO)(CN2CCCC2)CC1 219709109 WKHCAKVIQGKHDT-SFHVURJKSA-N 374.525 2.764 0 50 FFAA CN(C[C@@H]1CC12CCN(C(=O)c1cnn(C)c1-n1cccc1)CC2)C1CC1 362106384 OIXNPXPLXJRZQI-INIZCTEOSA-N 367.497 2.547 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 219199468 LFFDCTSGLARBCI-MSOLQXFVSA-N 360.429 2.858 0 50 FFAA O=C([C@H]1CCc2cn[nH]c2C1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 156626583 ZUVLGZWFWRBMQT-WMLDXEAASA-N 362.437 2.663 0 50 FFAA O=C(c1cccc(N2CCOCC2)c1)N1CCC(Oc2cccnc2)CC1 218999468 SPHGRQNFRWRDFE-UHFFFAOYSA-N 367.449 2.602 0 50 FFAA CN(C)S(=O)(=O)CCn1ccnc1-c1ccc(-c2ccccn2)cc1 72478670 KATJUILBSAZULT-UHFFFAOYSA-N 356.451 2.504 0 50 FFAA O=C(NC[C@H](O)c1ccsc1)c1ccccc1COC1CCOCC1 127194177 MBZVWEYFPMXFAM-SFHVURJKSA-N 361.463 2.907 0 50 FFAA Cn1nccc1[C@@H]1C[C@H](NC(=O)N2CCCc3ccccc3CC2)CCO1 333165927 IGGMJCQJYXNLAM-QUCCMNQESA-N 368.481 2.841 0 50 FFAA Cn1cc(-c2nc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)cs2)cn1 333759327 VISZFEVGTSXPHI-TZMCWYRMSA-N 372.454 2.519 0 50 FFAA Cc1cc(C(=O)NCCN2CCCC[C@H]2CO)c2ccc(C)c(C)c2n1 77323656 JRFOETNIHUZHHL-KRWDZBQOSA-N 355.482 2.737 0 50 FFAA O=C(NC[C@H]1CCCN(CCO)C1)c1cccc(-c2ccccc2F)c1 223067908 ZQBRSYHDDYHUIR-MRXNPFEDSA-N 356.441 2.927 0 50 FFAA COc1ccc(CCC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OC 82134592 YHDJZGCJYOYAEJ-MRXNPFEDSA-N 368.433 2.558 0 50 FFAA C[C@@H]1C=CC[C@H]2C(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 136859640 MDEGNVHESXQNCJ-JQEORGNBSA-N 353.205 2.835 0 50 FFAA CC(C)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(=O)[nH]1 221447470 AHHWENCJWLEGKA-MOPGFXCFSA-N 370.449 2.602 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)CCN2CCCCCC2=O)CC1 82091523 XWKMAZNYTNHOQM-UHFFFAOYSA-N 357.498 2.826 0 50 FFAA O=C(CCn1cncn1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 82106731 OASPWIOENOXVMT-UHFFFAOYSA-N 368.359 2.757 0 50 FFAA CN(C[C@H]1CCOC1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 177223892 HVEDEDGFXCJYOY-CYBMUJFWSA-N 356.451 2.655 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)n1 82230525 KVNRLHCLWAPUNR-UHFFFAOYSA-N 353.470 2.742 0 50 FFAA CC1(O)CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 177763377 ZGZCSGBONRLSRO-UHFFFAOYSA-N 370.371 2.819 0 50 FFAA Cc1ccc(O)c(-c2ccc(C(=O)NC[C@H](O)CN3CCCC3)cc2)c1 426537756 UUOUKMSEYWWARF-SFHVURJKSA-N 354.450 2.554 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)CCC3CCN(C)CC3)CC2=O)cc1 82137603 OADIAJVYJHEXTF-KRWDZBQOSA-N 357.498 2.681 0 50 FFAA O=C(c1ccc(N2CCCC2)cc1)N1CCCC[C@@H]1CN1CCOCC1 82096764 QIBHBKBOLWTYIR-HXUWFJFHSA-N 357.498 2.614 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)N3CCCC[C@@H]3[C@H](C)N)cc2)C[C@@H](C)O1 237559371 UVLJRFSFQWEFCQ-PFRQMTDMSA-N 359.514 2.638 0 50 FFAA Cc1ccc(F)c(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 91493432 ATGDRGKSLNHMNT-UHFFFAOYSA-N 361.505 2.900 0 50 FFAA COc1ccc(Oc2ccc(NC(=O)NC[C@@]3(O)CCCNC3)cc2)cc1 97784710 KRCKKKRANNRPTG-HXUWFJFHSA-N 371.437 2.724 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1C 92028934 FZQBTWXTRWULKF-CQSZACIVSA-N 355.442 2.904 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)C2CCCCC2)CC1 91872306 IRJIYEACIODSFQ-UHFFFAOYSA-N 370.501 2.829 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)c1cc(C)n2nc(C)cc2n1 97675406 JKJMHKMLGQOCRR-UHFFFAOYSA-N 356.401 2.774 0 50 FFAA CC(C)C(=O)Nc1cc(NC(=O)N[C@H](C)Cc2cnccn2)ccc1F 96149165 OBDFCHWYCJSEJQ-GFCCVEGCSA-N 359.405 2.963 0 50 FFAA CCc1nccn1CCCNC(=O)Nc1ccccc1N1CCOC1=O 95524660 NTJCMFABHIDNSL-UHFFFAOYSA-N 357.414 2.614 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)C[C@H]2C)cc1 239259386 ZCYMVDQSLCSQSO-WHEVEAIOSA-N 356.466 2.779 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN(C)CC2(CO)CCOCC2)n1 97515156 XCCDFZKMKIKOMC-UHFFFAOYSA-N 361.461 2.849 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H](c3cc(=O)[nH]c(C)n3)C1)n2C 95388148 NTVJDVIUMQOUEE-HNNXBMFYSA-N 364.449 2.898 0 50 FFAA CC(C)(C)[C@H](NC(=O)c1cn(CCCCC(=O)O)c2ccccc12)C(N)=O 96024627 YFFKBKQHLMKTJY-QGZVFWFLSA-N 373.453 2.526 0 50 FFAA in-vitro CSc1ccc([C@H](C(=O)O)N2CCC(OCCN(C)C)CC2)cc1 95362385 BCMIHSWOVSVYDE-QGZVFWFLSA-N 352.500 2.577 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1ccc(Cn3cccn3)o1)C2 95370424 BLWLCSAFPJLYKP-AWEZNQCLSA-N 367.405 2.514 0 50 FFAA O=C(NCc1cccs1)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 244817028 STCQTIYFHAACJR-HDJSIYSDSA-N 371.462 2.797 0 50 FFAA C[C@]12C(=O)O[C@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@H]34)[C@@H]1[C@@H]2[C@@H]2CC[C@H]3OC(=O)[C@@]5(C)[C@@H]1[C@@H]23 253596353 QKTJEGVAGWMOHM-GBDZVXRMSA-N 354.446 2.654 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1NS(C)(=O)=O 298197593 DMLOAVFVOJAYJH-QGZVFWFLSA-N 358.463 2.654 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(O)nc2cc(F)ccc12 253535509 XWJNZXIYTSPXRU-MJCKAROISA-N 367.380 2.717 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)N[C@H]1CCc2ccccc2C1 299515807 CRCOTYPDLITWRE-SFHVURJKSA-N 367.449 2.741 0 50 FFAA Cc1[nH]n(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(=O)c1Cc1ccccc1 100925550 DVVFIJRUJUCTQP-UHFFFAOYSA-N 358.401 2.815 0 50 FFAA Fc1ccc(N2CC[C@H](NCCc3nc(-c4ccccn4)no3)C2)cc1 826588692 ZGGQQBFPIPZNCE-HNNXBMFYSA-N 353.401 2.682 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)s1 952983811 WGSCPRXZJWPTKY-CYBMUJFWSA-N 364.492 2.989 0 50 FFAA O=C(c1ccc(-c2ccc3occc3c2)cc1)N1C[C@H](CO)[C@@H](CO)C1 1565514863 KTEHLQNKUDOASQ-RTBURBONSA-N 351.402 2.773 0 50 FFAA COc1cc(CC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)ccc1C 275465681 UJZIVBVYWUHYBH-HNNXBMFYSA-N 359.426 2.653 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CCc1ccncc1)CC2 275759320 RJZPHCREXXMFOL-KRWDZBQOSA-N 370.522 2.984 0 50 FFAA O=C([C@@H](Cc1ccccc1)Nc1cnc2ccccc2n1)N1CCOCC1 185510670 HRGSRGVFMMETGX-LJQANCHMSA-N 362.433 2.512 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 170827004 RTZCXHSWLTWHPF-GOSISDBHSA-N 364.921 2.650 0 50 FFAA COc1cccc(OC)c1S(=O)(=O)N[C@H]1CCc2cc(F)ccc21 186407549 KXNBCAVSRUDETP-AWEZNQCLSA-N 351.399 2.809 0 50 FFAA Cc1cc(C)cc(N2CCC(N3C[C@H](Cc4cnccn4)[C@@H](O)C3)CC2)c1 1615941088 NMORWSLXGWCMMT-AVRDEDQJSA-N 366.509 2.598 0 50 FFAA CCCN1CC[C@@H](NS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)C1 1506396026 MISJAJBRHLQCFX-CYBMUJFWSA-N 369.512 2.783 0 50 FFAA Cc1noc(-c2ccnc(N3CCCN(c4ccncc4C)CC3)c2)n1 1506431790 ZLFWNVBYTBDUQA-UHFFFAOYSA-N 350.426 2.860 0 50 FFAA COc1ccc(NC(=S)NC(=O)c2cncc(Br)c2)cc1 678566 BMAUCLNWVMBFNK-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA O=C(O)c1ccc(OCCCN2CCCN(C(=O)c3ccco3)CC2)cc1 1704352550 VNGPOHZSAFOREQ-UHFFFAOYSA-N 372.421 2.595 0 50 FFAA Cc1ccc(-c2cc(CN3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)on2)cc1 1704298240 ICORODZJJBECSO-UZLBHIALSA-N 352.438 2.717 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)C[C@H]2O)on1 1704343715 YEFWPKKJLDUCFO-CWTRNNRKSA-N 373.840 2.513 0 50 FFAA Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)N)C1 227309245 RWABDCBRYWFAKO-WPRPVWTQSA-N 367.334 2.567 0 50 FFAA CCOc1ccc(CC(=O)N2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)cc1 1704354369 ANKXEWBTHVTWJM-APWZRJJASA-N 358.438 2.640 0 50 FFAA O=C(CNS(=O)(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 1142392 LJSLEMKZTOJJSO-UHFFFAOYSA-N 359.234 2.910 0 50 FFAA Cc1c(CC(=O)NC[C@H](C)O)c2c(n1Cc1ccc(F)cc1)CCCC2=O 11815296 OAFBPOVFDAMLQL-ZDUSSCGKSA-N 372.440 2.542 0 50 FFAA O=C(NCC1(c2ccccc2)CCCC1)c1cn(C[C@H]2CCCO2)nn1 11879446 JXPUUUZJKGARID-QGZVFWFLSA-N 354.454 2.699 0 50 FFAA CCCN1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2ccncc2)C1 14753380 QPFIOFBDVOIJNB-NRFANRHFSA-N 367.493 2.764 0 50 FFAA COc1ccc(C)cc1N1C(=O)C[C@H](N2CCc3ccccc3C2)C1=O 18180138 PHQACGRVUZNRPU-SFHVURJKSA-N 350.418 2.694 0 50 FFAA COc1cccc(CNCCN2CCOCC2)c1OCc1ccccc1 19568259 CPYLHMLJDDMXSG-UHFFFAOYSA-N 356.466 2.696 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCOc2cc(F)ccc2C1 1857528436 PICADVVGSITIDO-NEPJUHHUSA-N 359.401 2.616 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3ncc(F)cn3)C1)CC2 1857695351 FUBZHZPCEUGIQR-LJQANCHMSA-N 357.433 2.893 0 50 FFAA CC(C)CCC(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3 1857740213 DSVGKGDOTJGNRI-KLZNWCGWSA-N 362.436 2.971 0 50 FFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)c1ccncc1F 328616781 CAGNAVALTGSMFY-SNVBAGLBSA-N 356.323 2.771 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 216690667 KOGRYGDDGAPCLT-ZBFHGGJFSA-N 371.387 2.623 0 50 FFAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 247498970 DXKSLNDTFZZNGP-CABCVRRESA-N 359.495 2.667 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCCc3nn(C)cc32)CC1 366980146 IDEORLQPFRIDDN-MRXNPFEDSA-N 354.454 2.613 0 50 FFAA Cc1cc(C)n2cc(Cn3c(-c4ccccc4Cl)noc3=O)nc2n1 1875391666 QYUMYGMRBFLYRQ-UHFFFAOYSA-N 355.785 2.865 0 50 FFAA C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875328052 WBSKEPVENOEJQM-CZUORRHYSA-N 361.417 2.603 0 50 FFAA Cc1sc2nc(-c3cccnc3)nc(NCc3nnc(O)n3C)c2c1C 1875359919 SZIDQCZZSNYWNS-UHFFFAOYSA-N 367.438 2.816 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)C1(c2ccccc2Cl)CCC1 1875403435 WXPRFPSVSQCVLM-ZTFGCOKTSA-N 373.884 2.914 0 50 FFAA Cc1nnc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cccc(Cl)c2)C3)o1 886088479 HLYDNVOQGSTKHF-HOTGVXAUSA-N 360.845 2.957 0 50 FFAA C[C@]1(c2ccccc2)COCCN1C(=O)[C@@H]1CC(=O)c2cc(F)ccc2O1 2325757361 FHEMJRAIJPPBHC-PZJWPPBQSA-N 369.392 2.934 0 50 FFAA O=C(c1ccc2c(F)cc(F)cc2n1)N1CCCN(c2ncccn2)CC1 2325816046 OUICEJGTLZCGFC-UHFFFAOYSA-N 369.375 2.656 0 50 FFAA NC1CCN(C(=O)c2ccc(-c3cccc(-c4ccncc4)c3)nn2)CC1 2325856016 ZATKAFABZZTNBR-UHFFFAOYSA-N 359.433 2.769 0 50 FFAA COc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1OC 839113 NIEDCQSASLGAKO-UHFFFAOYSA-N 353.374 2.783 0 50 FFAA biogenic CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2 2356140196 YJKYBIVQWPGIAK-IEBWSBKVSA-N 366.889 2.985 0 50 FFAA C[C@@H](NC(=O)COc1ccc(-c2nnc(N)o2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 225543923 KMEAAOJPAKXTDK-TWJWRFFLSA-N 356.426 2.639 0 50 FFAA Cc1cc(CN2CCN(c3cc(C)nc(-c4ccccc4O)n3)CC2)[nH]n1 101913086 KSVHLXGONURULJ-UHFFFAOYSA-N 364.453 2.511 0 50 FFAA COc1cccc(CN2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)c1 20551319 FSGLIKXSWHHADL-SFHVURJKSA-N 367.493 2.690 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(C)n2)C[C@@H]1CCO 23361400 IOJIILXXTIPSLT-NRFANRHFSA-N 369.509 2.858 0 50 FFAA Cc1cc(C)n2c(C(=O)N[C@@H]3CCCN(C4CCCCCC4)C3)nnc2n1 72149954 RFFHPGFYFFDGCA-MRXNPFEDSA-N 370.501 2.658 0 50 FFAA c1ccc(-c2nc3c(c(N4CCC[C@@H](Cn5ccnc5)C4)n2)CCNC3)cc1 67724846 JMRUTZCLDNZYMC-KRWDZBQOSA-N 374.492 2.902 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@H]1c1ccc(F)cc1 67833710 YXXZTLAXEWHHHN-IBGZPJMESA-N 373.428 2.748 0 50 FFAA Cc1[nH]nc(CCC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1C 215318080 JILPBIIUVGZMDT-OAHLLOKOSA-N 355.360 2.828 0 50 FFAA COCCn1cnnc1[C@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 65534366 LUDXEGFOKOWIPU-AWEZNQCLSA-N 365.441 2.582 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)s1 12092391 KWINFCKEPWZFCZ-KRWDZBQOSA-N 371.506 2.652 0 50 FFAA O=C(NCc1cc2ccc(F)cc2[nH]c1=O)c1c[nH]nc1-c1ccccc1 67965309 VQOPTKLRWQUNFZ-UHFFFAOYSA-N 362.364 2.987 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1n[nH]cc1Cl 72126567 RBYQFTHMCJQNPV-CQSZACIVSA-N 368.824 2.747 0 50 FFAA CN(Cc1cccc2ncccc12)C(=O)c1ccc2c(c1)ncn2CCO 72421032 ZCIBEKUNGZPHNW-UHFFFAOYSA-N 360.417 2.849 0 50 FFAA Cc1cc(NC(=O)CN2CC(C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 253429382 NDOXUUAFJTWACA-UHFFFAOYSA-N 356.323 2.752 0 50 FFAA Cc1ccc([C@H](O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 328632629 LLUYTTLNRZXZGE-CEWLAPEOSA-N 356.514 2.777 0 50 FFAA COc1cc(OC)c(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)cc1F 151029033 DFLNOJCYXOIMHH-UHFFFAOYSA-N 371.368 2.883 0 50 FFAA O=C1C[C@H](NC(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2N1 77505928 CTVSNWXEZFVXMV-INIZCTEOSA-N 362.389 2.869 0 50 FFAA Cc1cc(C(=O)N2CCNC[C@@H]2C(F)F)ccc1NC(=O)CC(C)C 367286485 LFNADVQOGRPVRV-OAHLLOKOSA-N 353.413 2.659 0 50 FFAA CCCOC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77356156 OGBQKCVQEASXDE-UHFFFAOYSA-N 361.490 2.935 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)c2cnc3ccccc3c2)CC1 218795783 HJFUVVIQSZMJCO-FQEVSTJZSA-N 366.509 2.867 0 50 FFAA COCc1nc(N[C@H](C)c2cc(OC)ccc2OC)c2cnn(C)c2n1 72128228 GWPHNBCDGPTTBI-LLVKDONJSA-N 357.414 2.700 0 50 FFAA Cn1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)c(-c2cccs2)n1 333237332 DGHCLJRRJSGXRG-CRAIPNDOSA-N 374.510 2.507 0 50 FFAA O=C(NCC1(Cn2cccn2)CC1)c1ccc(C[C@H]2CCCNC2)cc1 72146713 ODVYVUSBNFXIBU-GOSISDBHSA-N 352.482 2.635 0 50 FFAA Cc1ccn2c(C(=O)NCc3ccc(-c4ccc(F)cc4)o3)nnc2n1 219286723 XBCUFUOUOIPKTD-UHFFFAOYSA-N 351.341 2.762 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cs1 216249812 LTRQMHVOXFIZDK-UHFFFAOYSA-N 358.463 2.707 0 50 FFAA OC[C@@]1(O)CCCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C1 72166226 VEYYEGLERPZSQK-WAZYHGNXSA-N 362.539 2.930 0 50 FFAA CCn1ncc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1C 14226751 DUENTXPYSCBFTL-UHFFFAOYSA-N 372.288 2.795 0 50 FFAA CN1CCC(C(=O)N2CC[C@](O)(c3ccccc3)C2)(c2ccccc2)CC1 220683033 APWWDONAVOFAFI-HSZRJFAPSA-N 364.489 2.770 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)Cn3ncc4ccccc43)nc2c1 222481596 FIBWSCYSSMXFLK-UHFFFAOYSA-N 363.421 2.622 0 50 FFAA Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccccc1-n1ccnc1 175980056 BVXCJKIMWUXUKV-SFHVURJKSA-N 364.453 2.751 0 50 FFAA COCc1nc(NCc2cc3c(cc2OC)CCC3)cc([C@@H]2CCOC2)n1 426550670 RMGXTZZMQLFYEU-MRXNPFEDSA-N 369.465 3.236 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)Cc2nc3nc(C)cc(C)n3n2)c1 223110440 UABOCJSHUGQQNZ-QGZVFWFLSA-N 365.437 2.656 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)NCCCn1c(C)cccc1=O 426574733 MLPRIKAMANLXMU-UHFFFAOYSA-N 362.433 2.742 0 50 FFAA Cn1cc(C(=O)O)c(C(=O)Nc2ccc(Br)c(Cl)c2)n1 20614923 PYZDSGVBRVPNQW-UHFFFAOYSA-N 358.579 2.787 0 50 FFAA CCCn1ncc2c(C(=O)Nc3n[nH]c(SC)n3)cc(C3CC3)nc21 20606931 LBDXNYMIARAOOC-UHFFFAOYSA-N 357.443 2.811 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)cccc2c1C 222511883 AOYGFSVEOKGSHX-RWKZGTHUSA-N 352.438 2.760 0 50 FFAA COCc1ccc(CNC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 291505999 OKLNQDLJWCYUOQ-NRFANRHFSA-N 354.450 2.679 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@]2(CCCN(CC3CC3)C2)C1 426436570 OMECXTCBXILYTG-NRFANRHFSA-N 356.466 2.682 0 50 FFAA CC1(C)CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@H](C(F)(F)F)O1 291815370 KKMMTLDWGPOFAE-CYBMUJFWSA-N 364.339 2.569 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)cc1 426515535 NHDUQGJWGPXRHF-UYAOXDASSA-N 373.474 2.647 0 50 FFAA COCCc1nc(CCc2c(C)noc2C)n(-c2ccc(OC)cc2)n1 96164438 AJDUZUOJAWAXQB-UHFFFAOYSA-N 356.426 2.855 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N(CCCO)Cc1ccc(Cl)cc1 97785498 ZTVKHZFMAOQJHR-UHFFFAOYSA-N 371.828 2.545 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)CC1=O 91574871 HYPDYMURTSWLSX-LLVKDONJSA-N 362.861 2.522 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc2nc(-c3ccccc3)cn2c1 95356599 NBEACYSQBQGSLT-UHFFFAOYSA-N 364.405 2.573 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1C 293692780 MMWABHTYXXQRDH-NSHDSACASA-N 351.859 2.919 0 50 FFAA Cn1ccc2ccc(CN3CCC(N4CCC(C(=O)O)CC4)CC3)cc21 97819671 WIVOFSIUDBQGQJ-UHFFFAOYSA-N 355.482 2.939 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N(C)CCCc2c(C)n[nH]c2C)c1 96153781 LKQBCVBMGUBSBS-UHFFFAOYSA-N 373.457 2.708 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)on1 91663613 NYBFXPMJCZGOGA-MRXNPFEDSA-N 365.437 2.897 0 50 FFAA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](n2cc(CO)nn2)C1 293857184 DDESHTOWWBEVHP-OAHLLOKOSA-N 360.483 2.578 0 50 FFAA C[C@@H](NS(C)(=O)=O)c1nc(-c2ccccc2)nn1Cc1ccccc1 96152197 NFXZCZZUODMKFF-CQSZACIVSA-N 356.451 2.604 0 50 FFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1ccc(-n2cnnc2)nc1 97823320 NJFUXTZCHDIEMX-AWEZNQCLSA-N 373.420 2.886 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)C(=O)CC(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95374625 VEEHXJGINOEQNO-CEWLAPEOSA-N 370.493 2.699 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 95384824 BXYWGDAPTLPCQG-GOSISDBHSA-N 372.488 2.923 0 50 FFAA C[C@H]1CCc2nc(NC(=O)CN(C)CCCc3nccn3C)sc2C1 244884304 YJLYWBKNGKHNPN-ZDUSSCGKSA-N 361.515 2.505 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC[C@H](CN3CCCC3=O)C2)cc1F 244724142 MOJTXQOXNAHWSM-INIZCTEOSA-N 361.461 2.797 0 50 FFAA O=C(NCc1ccccc1N1CCOCC1)N1CCCC[C@@H]1c1cn[nH]c1 182509270 TVPGRFBDRUUKRN-LJQANCHMSA-N 369.469 2.683 0 50 FFAA O=C(CCc1cccnc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252523182 CAAFWALBRKWUKY-UEXGIBASSA-N 352.434 2.578 0 50 FFAA Cc1nccc(N2CCN(Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)n1 183781437 ROGUXCKBNUBFIM-FQEVSTJZSA-N 368.481 2.665 0 50 FFAA CCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 299405860 ONEGKEIGAYMAGB-SFHVURJKSA-N 365.433 2.566 0 50 FFAA C[C@@]12C(=O)O[C@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@H]34)[C@@H]1[C@@H]2[C@@H]2CC[C@H]3OC(=O)[C@]5(C)[C@@H]1[C@@H]23 253596358 QKTJEGVAGWMOHM-VKDWZQQHSA-N 354.446 2.654 0 50 FFAA CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 102345715 VWCOTKSDEHMCLP-NUZBWSBOSA-N 363.435 2.949 0 50 FFAA CSc1nc(=NC(=O)c2cc(-n3cccn3)ccc2Cl)[nH]s1 1940195655 VOXVGASZUQQWNN-UHFFFAOYSA-N 351.844 2.773 0 50 FFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)O)c3C3CC3)n2)c1 299782982 GVPRKHQWXOSONH-UHFFFAOYSA-N 366.377 2.922 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNc3cccc(C(F)(F)F)n3)cc2C1 299783341 ZOFJOKQUKCSLOC-UHFFFAOYSA-N 367.375 2.907 0 50 FFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCCC2(CCOCC2)C1 299781452 VVTKYLNHTOFHFE-UHFFFAOYSA-N 370.453 2.874 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)CN(C)C)ccc2C)c1 824573725 DSOBIRDRMVDBPT-UHFFFAOYSA-N 371.437 2.765 0 50 FFAA CN1CCOC[C@H](CNC(=O)N(Cc2ccccn2)C2CCCCC2)C1 584895859 OWENSXAWKVLXHB-QGZVFWFLSA-N 360.502 2.504 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 1353040304 WOFZCGHCHCZLCV-SMDDNHRTSA-N 372.343 2.747 0 50 FFAA O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 952963611 CJKVJROMWLHMEJ-JOCQHMNTSA-N 369.421 2.632 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCN(Cc2ccc(F)cc2)CC1 952967628 ZUFVORPVTYACCE-UHFFFAOYSA-N 371.456 2.973 0 50 FFAA CCCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 952965043 BINJAHGUYQNGNX-MRXNPFEDSA-N 371.481 2.864 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 269131129 BKVYZGQQLNKNHC-OAHLLOKOSA-N 363.417 2.891 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(N3CCNC3=O)ccc1F)O2 410784705 RNWXLCQWLAKKQF-SFHVURJKSA-N 369.396 2.996 0 50 FFAA COc1cc(OC)c(C(=O)NNc2ccc(F)c(F)c2F)cc1OC 170621149 YBQLYDQOBVZKDK-UHFFFAOYSA-N 356.300 2.887 0 50 FFAA O=C(Nc1cccnc1-c1ccc(Cl)s1)N[C@]1(CO)CCOC1 189533726 RFQLOYAIOZZQSF-HNNXBMFYSA-N 353.831 2.736 0 50 FFAA CCCCc1nc(NC(=O)c2ccc(N(C)C)nc2)c(C(=O)OCC)[nH]1 191963284 LXSFILBPUDXTSJ-UHFFFAOYSA-N 359.430 2.642 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1ccccc1-n1cncn1 1506418115 QDGFQSROMPLQGK-UHFFFAOYSA-N 350.357 2.555 0 50 FFAA O=C(c1ccc[nH]1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 216928454 TWBTZUYXKSUXIV-MJGOQNOKSA-N 351.450 2.711 0 50 FFAA CCn1nc(C)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c1C 220151104 DIVPWGXSCKLOKB-CVEARBPZSA-N 359.401 2.599 0 50 FFAA CN(C)C(=O)c1cccc(N[C@H]2CCCN(Cc3ccccc3F)C2)n1 1529153200 SERVBRBSWQXYJI-INIZCTEOSA-N 356.445 2.999 0 50 FFAA O[C@@H]1CN(Cc2ccc(CN3CCCCC3)s2)C[C@H]1Cc1cnccn1 1529104236 MNPOMTANIFKWDP-OXQOHEQNSA-N 372.538 2.559 0 50 FFAA COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)c1 1049722 KDZKDCAVTDZXKF-UHFFFAOYSA-N 352.423 2.836 0 50 FFAA COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)c1OC 1529151239 ILDGDRLCXLSKLF-MLGOLLRUSA-N 366.845 2.689 0 50 FFAA O=C(c1cccnc1NCCc1nc(O)c2ccccc2n1)N1CCCC1 1529187629 WMQMVSYCFNIKHE-UHFFFAOYSA-N 363.421 2.621 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCN1CCCC1)C2 1772811465 ULEBRPVRPMYKKA-AWEZNQCLSA-N 374.510 2.732 0 50 FFAA O=C([C@@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCc2nocc2C1 1772807126 JHPCCIIGDDYRNT-CYBMUJFWSA-N 366.446 2.883 0 50 FFAA c1cnc(N2CCC([C@@H]3CCN(C4CSCCSC4)C3)CC2)nc1 11773996 AGRXMPQGBUNOLC-MRXNPFEDSA-N 364.584 2.864 0 50 FFAA Cc1ccn(CC(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)n1 11945037 OMFLTHDTLZCUJT-GOSISDBHSA-N 372.488 2.744 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cnccn2)C1 12459180 AEDBTGKSNXGTCV-NRFANRHFSA-N 367.449 2.813 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 12581447 YNWIDAMWJZVTTF-QGZVFWFLSA-N 372.465 2.645 0 50 FFAA CCOC(=O)c1ccc(NC(=S)N2CCC[C@@H](C(=O)OCC)C2)cc1 13497351 ZROHDLGSFNPGTL-CQSZACIVSA-N 364.467 2.835 0 50 FFAA Cc1ccccc1[C@H](CC(=O)N1CCN(CCO)CC1)c1ccccc1 15066441 ZSCKSYIYZAYWAF-OAQYLSRUSA-N 352.478 2.654 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)s1 17074934 FXFNZVXJGPCMNV-FMPDERDJSA-N 364.467 2.875 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(C)n1 19222433 XCNMSOSIQQZJNR-IBGZPJMESA-N 360.502 2.572 0 50 FFAA O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccccc1 19372933 DZRLXYSHWWEOKV-SFHVURJKSA-N 369.852 2.794 0 50 FFAA O=C(NCc1nc(C(F)F)no1)N1CC(Oc2ccccc2Cl)C1 1857530464 GPTXLQNZRNFFOA-UHFFFAOYSA-N 358.732 2.633 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCc4[nH]nc(C5CC5)c4CC3)c2)no1 1857666384 CYBLOHLFVGQDNV-UHFFFAOYSA-N 363.421 2.887 0 50 FFAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc([C@@H]3CNC(=O)C3)cc2)c1 1875247258 HVVCQKKIJYPSTG-IBGZPJMESA-N 364.445 2.996 0 50 FFAA CCn1cc(CN2CC[C@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)cn1 1875250036 SLYWTPWQRQYYHD-PZJWPPBQSA-N 371.481 2.564 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cccc2c1OCCO2)C(F)(F)F 331787724 ONIMRDKFQWWYKX-OAHLLOKOSA-N 369.343 2.842 0 50 FFAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(Cc3cccc(F)c3)C[C@@H]21 248258692 UTXPDZFPPUZUBK-JXFKEZNVSA-N 357.381 2.897 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)NCc3cccs3)C1)CC2 1704325481 MVRUDASCCGKHQR-LJQANCHMSA-N 371.510 2.794 0 50 FFAA O=C(N[C@H](Cc1cccnc1)C(=O)N1CC[C@H]2CCC[C@@H]21)c1ccccc1 1875293598 WIELYGSOPOLZFQ-RLLQIKCJSA-N 363.461 2.824 0 50 FFAA O=C(NCCNC(=O)C1CCCC1)c1ncsc1Nc1ccccc1 1875267650 LULKYQXYJIXZKF-UHFFFAOYSA-N 358.467 2.923 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(Cn3ccnc3)cc2)c1 1875254479 FGUQAYRHKXYOTM-UHFFFAOYSA-N 362.433 2.917 0 50 FFAA CC(C)c1c[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@H]2CC23CCC3)[C@H](C)C1 1875344647 OEUURWBNCREZJQ-BMFZPTHFSA-N 358.486 2.690 0 50 FFAA Cc1ncsc1C(=O)N(C)CCNC(=O)c1cnoc1-c1ccccc1 1875333700 IIQPNMDRWAXAMK-UHFFFAOYSA-N 370.434 2.609 0 50 FFAA COC1(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)c3ccc4ccoc4c3)C2)CC1 1875406246 ACCSXPGDZPUSAN-CJNGLKHVSA-N 356.422 2.721 0 50 FFAA CCN1CCO[C@@H](CNCc2cc3ccccc3o2)[C@@H]1c1cncn1C 888102811 OEOUKYBXTSCZLM-PMACEKPBSA-N 354.454 2.718 0 50 FFAA Cc1nc(C(=O)N2CCO[C@H](c3nccs3)C2)c(Br)s1 408470523 WOUSCBJLNLHNIX-QMMMGPOBSA-N 374.285 2.884 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)ccc1Cl 3620803 OAPUEACMOXUUPC-UHFFFAOYSA-N 355.799 2.777 0 50 FFAA COc1cc([C@H]2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)ccc1O 2049251997 LSQCIFMQJVVYHH-GFCCVEGCSA-N 368.341 2.962 0 50 FFAA CC(C)(C)n1nnc(CCN2CC[C@@]3(c4ccccc4)[C@@H](C2)C3(F)F)n1 2325756517 FYHIAIKIGGKFOM-CRAIPNDOSA-N 361.440 2.879 0 50 FFAA O=C([C@H]1CCn2nncc2C1)N1CCC[C@@H](c2ccc3c(c2)CCC3)C1 2325810889 MGZHWRVZGWKILQ-RBUKOAKNSA-N 350.466 2.735 0 50 FFAA CO[C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)CCCC3CC3)C2(C)C)C1 2325863141 XKOXPEYNHBHGAT-ZACQAIPSSA-N 350.503 2.878 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOCC[C@H]2c2ccc(F)cc2)CC1 2325888475 VZYAAKFJHIZDCL-SFHVURJKSA-N 360.429 2.540 0 50 FFAA COc1ccc(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 715334 BNIVBUBVMYIKCI-QGZVFWFLSA-N 352.390 2.955 0 50 FFAA COc1cc(OC)c(CN(C)C2CCN(C)CC2)cc1Br 755671 JEOKJXPADAJJMU-UHFFFAOYSA-N 357.292 2.992 0 50 FFAA COc1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl 816953 CHWLPHMDBJRXCI-UHFFFAOYSA-N 374.890 2.564 0 50 FFAA COc1nc(C(=O)Nc2nc([C@H](C)Oc3ccccc3)cs2)nn1C 2356161820 LMPPASFCZVAKJH-JTQLQIEISA-N 359.411 2.673 0 50 FFAA C[C@H](c1ccncc1)N1CCC(N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 246026592 LDKDSPKCZXFYEE-ATZDWAIDSA-N 365.543 2.552 0 50 FFAA Cc1ccc(S(N)(=O)=O)c(-c2nc(-c3cc(F)c(F)c(F)c3)no2)c1 225631594 HMCJMTLANRARQW-UHFFFAOYSA-N 369.324 2.777 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2nc(-c3ccncc3)no2)cc1 65374440 YJVODPHLUHCWCW-OAHLLOKOSA-N 365.437 2.749 0 50 FFAA CC(C)O[C@@H](C)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 67805591 LOMHDQMQBKDKPO-LBPRGKRZSA-N 358.394 2.769 0 50 FFAA Cc1cccnc1CCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11937296 TZLJQBYYTVUGIN-SFHVURJKSA-N 357.498 2.868 0 50 FFAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1ccc(CN2CCCCC2)cc1 65409072 ZXTQNVVNZDPGKA-KRWDZBQOSA-N 370.453 2.837 0 50 FFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cncnc1N(C)C 122137085 DKLFCMFLKQBWAS-UHFFFAOYSA-N 356.817 2.942 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(c3ncnc4c(C)csc34)CC2)c1 72409479 LWEAKYVOLSBNNX-UHFFFAOYSA-N 357.439 2.585 0 50 FFAA COCc1noc([C@@H](C)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623886 CBXDYNQPKWEGCG-GHMZBOCLSA-N 373.379 2.687 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 72474698 TUZJAWCNBBPKSX-SFHVURJKSA-N 368.481 2.579 0 50 FFAA Cc1cc(C(=O)N2CCc3c(ncnc3N(C)C)C2)c2cccc(C)c2n1 72122384 RKOQGSKAWAOFFF-UHFFFAOYSA-N 361.449 2.906 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71753982 ALNWNBFAWXWIEC-OAHLLOKOSA-N 353.401 2.748 0 50 FFAA CSc1ncc(CN2CCCN(C3Cc4ccccc4C3)CC2)cn1 216015888 GOVBNKKCSBZYKZ-UHFFFAOYSA-N 354.523 2.874 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)cc1OC 6738393 QZIRWDCEUDABMN-LJQANCHMSA-N 372.396 2.695 0 50 FFAA biogenic CCc1ncc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cn1 72477021 GIKOLTCPAFQVJM-UHFFFAOYSA-N 353.451 2.611 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CC(Oc2ccccc2Cl)C1 152136750 NCYGYJKPDNCFOJ-UHFFFAOYSA-N 358.825 2.811 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cccc4ccnn34)C2)CCC1=O 77489556 JRMHVGDYQNZDHF-OAQYLSRUSA-N 368.481 2.979 0 50 FFAA COc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc(Cl)c1O 154030590 SLKDHNKAESABQC-UHFFFAOYSA-N 353.724 2.584 0 50 FFAA CCCCc1ccc(-n2cc(CN3CCn4nc(CO)cc4C3)cn2)cc1 219711201 ALYXZQHSNFCNDD-UHFFFAOYSA-N 365.481 2.920 0 50 FFAA Clc1nccc(CN2CC[C@H](Nc3ccc4nccn4n3)C2)c1Cl 365662278 NJGGXXJFWPWOQE-LBPRGKRZSA-N 363.252 3.118 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)N(C)Cc1ccc(OC)cc1 72407022 PWQMSHYGEGHMSF-HXUWFJFHSA-N 373.541 2.850 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)NCc1nc(Cc2ccccc2)no1 218944360 ZKZPWQIHPASIAF-UHFFFAOYSA-N 357.797 2.878 0 50 FFAA Cc1cnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)nc1N 71751543 TUAGNNCFXMMSBA-KRWDZBQOSA-N 371.460 2.770 0 50 FFAA CSc1ccc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cc1 77340988 HFDORWBNHAQRDR-UHFFFAOYSA-N 359.543 2.978 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1 72436940 IIUHLCZCNQVUEX-UHFFFAOYSA-N 354.450 2.894 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1cccc(Br)c1 238129326 KXSSFYQDWFKMQP-CHWSQXEVSA-N 356.216 2.650 0 50 FFAA CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3occc3C)CC[C@H]21 72423582 PPFDTWPKBHITSH-LSDHHAIUSA-N 350.484 2.794 0 50 FFAA CCn1ccc(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cc1=O 77321288 HXIWABDNZDHFBO-UHFFFAOYSA-N 367.493 2.852 0 50 FFAA Cc1cc(N2CCC(C(=O)NCCc3ccccc3)CC2)n2nccc2n1 72476260 WGSWMZXUHYRDRV-UHFFFAOYSA-N 363.465 2.613 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1OC 219148567 HZYLTTANXBEMMO-HNNXBMFYSA-N 369.417 2.991 0 50 FFAA CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c2cc(Cl)ccc21 173669238 QOLKWLRKZQBSNO-ZDUSSCGKSA-N 373.840 2.765 0 50 FFAA COc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 376969990 YSDPHSHTFQGKTR-QFBILLFUSA-N 356.470 2.584 0 50 FFAA c1ccc(-c2nc3c(c(NCCc4nccs4)n2)CCNCC3)cc1 72430813 ZNXQTXUZJGTFBJ-UHFFFAOYSA-N 351.479 2.943 0 50 FFAA Cc1cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(N(C)C)n1 239882348 DBIDHLRSAXGOAO-UHFFFAOYSA-N 371.460 2.841 0 50 FFAA CC(=O)Nc1cccc(CNC(=O)NC[C@@H](CO)Cc2ccc(C)cc2)c1 240894793 IPXSLCPHOODIOL-IBGZPJMESA-N 369.465 2.604 0 50 FFAA COc1c(C)cnc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1C 286063562 GCACVPSRPVZRBQ-CJNGLKHVSA-N 358.442 2.929 0 50 FFAA CCc1c(C)sc(NC(=S)N2CCN3CCC[C@H]3C2)c1C(=O)OC 17075499 XNZJQYOMKHHREE-LBPRGKRZSA-N 367.540 2.882 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCCCc2csc(N)n2)c1 426360525 ZWVGHJMASZIKSL-UHFFFAOYSA-N 365.434 2.967 0 50 FFAA Cc1ccc(O)c(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c1 82097051 YLSXFPGKAVITFM-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)Nc1ccccc1CC(=O)N(C)C 426578601 MOZMVSHEXRZUAF-UHFFFAOYSA-N 357.458 2.588 0 50 FFAA Cc1nc(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c(C)s1 221345289 DJJJCXQUJWLCHN-SFHVURJKSA-N 368.462 2.694 0 50 FFAA COc1ccccc1CNC(=O)N1CCN(C2Cc3ccccc3C2)CC1 426489496 FSLVTHNYBXVGBU-UHFFFAOYSA-N 365.477 2.690 0 50 FFAA NC(=O)C1CCN(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)CC1 426521527 UWOYEQRFOHRVBS-QGZVFWFLSA-N 373.428 2.848 0 50 FFAA Cc1cc(C)cc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1 82145842 FYGBGQDOKUYPAY-UHFFFAOYSA-N 355.486 2.677 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)[C@H](C)Oc3ccccc3)cc2C1 82135239 SMFJDHHABIOSFS-KRWDZBQOSA-N 370.497 2.829 0 50 FFAA CCN(CC)c1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)cc1 426573296 PIZQRVBINIOETF-LJQANCHMSA-N 351.450 2.818 0 50 FFAA COc1ccc(F)c(CNC(=O)c2c(C)c(Cl)c(C)[nH]c2=O)c1F 97575115 VZYMDEZHQKUEEU-UHFFFAOYSA-N 356.756 2.862 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CCC(N3CCSCC3)CC2)cc1 426546234 QYOLADCYIQLMMV-OAHLLOKOSA-N 363.527 2.979 0 50 FFAA CCOC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CCCNC3=O)c2)cc1 426434430 HSBRMDHTRUPZNL-GOSISDBHSA-N 366.417 2.539 0 50 FFAA Cc1nn(C)c(C)c1CN1CCN(Cc2noc(C3CCCCC3)n2)CC1 178973848 JOZYHFLNOXYRAN-UHFFFAOYSA-N 372.517 2.785 0 50 FFAA COc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c(O)c1 91664630 AKDPENXBHZIEHN-DLBZAZTESA-N 355.390 2.650 0 50 FFAA Cn1cc(-c2ccnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)cn1 97499720 ODJRIFNRASIDPQ-VMPITWQZSA-N 360.465 2.713 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)CC1 91690803 ZXTJEDDWSUVDAR-UHFFFAOYSA-N 374.448 2.595 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)no1 95358221 QWRNYHDANDOVTE-QXAKKESOSA-N 355.413 2.825 0 50 FFAA Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239339016 LPCKYGOUPHLYKM-BVBVUKCESA-N 365.429 2.652 0 50 FFAA CCNc1ncc(C(=O)N[C@@H](CCn2ccnc2C)c2ccccc2)cn1 91473975 DIUCWMBNEATLIW-SFHVURJKSA-N 364.453 2.975 0 50 FFAA O=C(Cc1cccnc1)N1CCC(c2nccn2Cc2ccncc2)CC1 91616924 IOSIIZXHDNPTBX-UHFFFAOYSA-N 361.449 2.670 0 50 FFAA Cc1nc(CN(C)C[C@@H]2CCCN(CCc3ccccc3C)C2)n(C)n1 95503150 CRKPSAGONSLKJO-IBGZPJMESA-N 355.530 2.818 0 50 FFAA CNC(=O)c1ccc(NC(=O)N[C@H](CCO)c2ccc(C)cc2)c(C)c1 97729700 WUGDAGVVTMMMMI-GOSISDBHSA-N 355.438 2.908 0 50 FFAA CC[C@@H](C)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 92001856 INXTVOODNWKJOV-MRXNPFEDSA-N 360.502 2.620 0 50 FFAA Cn1ccc(NC(=O)CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)n1 244646865 GQMHKVQKOPDJJD-CQSZACIVSA-N 360.845 2.607 0 50 FFAA O=C(CCCOc1ccccc1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244795350 RERVHOPTYRODGJ-NSHGMRRFSA-N 354.450 2.739 0 50 FFAA CCOc1ccc2c(c1)C[C@@H](C(=O)NCc1cc(C(=O)O)c(C)o1)CO2 299747417 CXXUYPSEKZAUEW-CYBMUJFWSA-N 359.378 2.552 0 50 FFAA CC(C)C[C@@H](C(=O)N[C@H](CO)c1ccccc1)N1Cc2ccccc2C1=O 253413619 VGBHURWEHJLRLU-UXHICEINSA-N 366.461 2.907 0 50 FFAA biogenic CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2cncc(Cl)c2)cc1 298643763 KYYIERPGQGFUCO-UHFFFAOYSA-N 365.842 2.770 0 50 FFAA O=C(Cc1cccc(F)c1)NCC(=O)N1Cc2ccccc2C2(CC2)C1 184649745 VVWUGIIBCAOCHS-UHFFFAOYSA-N 352.409 2.558 0 50 FFAA O=C1NC[C@@H](NCc2cc(F)cc(F)c2)n2nc(-c3ccc(F)cc3)cc21 263615603 DEFKYBMLEFLBKV-SFHVURJKSA-N 372.350 2.999 0 50 FFAA O=C(Cn1cc2ccccc2n1)Nc1ccccc1CN1CCOCC1 531361194 MBGDKKRGSKMIDG-UHFFFAOYSA-N 350.422 2.507 0 50 FFAA C[C@H](NC(=O)c1c(I)cnn1C)[C@H]1C[C@H]2CC[C@H]1C2 102616588 SLVMUBMMGSEGED-XWLWVQCSSA-N 373.238 2.579 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)NCc1cncn1CC(C)C 299760027 TXPDCINFBXNLME-UHFFFAOYSA-N 359.430 2.828 0 50 FFAA CCN1CCN(CCOc2ccc(CN(C)Cc3cccnc3)cc2)CC1 823116367 HJQZFJBQBKWOTA-UHFFFAOYSA-N 368.525 2.730 0 50 FFAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)CN1CC[C@H](N(C)C)C1 820949438 NCYXULLLICBBPY-INIZCTEOSA-N 360.502 2.554 0 50 FFAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOc1cccc2cccnc12 827530305 OLOUYRKJALRTOE-SFHVURJKSA-N 374.444 2.781 0 50 FFAA CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C[C@]1(O)CCCNC1 1357516832 KPJHXJZRJNBPNO-OAQYLSRUSA-N 353.466 2.602 0 50 FFAA Cc1c(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)n[nH]c1-c1ccccc1 952984346 KMFHTADVIQKALJ-UHFFFAOYSA-N 361.365 2.943 0 50 FFAA CSc1nc(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)cs1 1565529627 XZNIXQBNQFDVTG-JSGCOSHPSA-N 368.455 2.970 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2csc(C(C)C)n2)o1 275364764 NECKJHMZFVFPFR-LBPRGKRZSA-N 350.444 2.987 0 50 FFAA CN(C)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 170614586 HSJMYIAPCAYBPK-UHFFFAOYSA-N 350.374 2.676 0 50 FFAA CC(C)c1nnc(S)n1CCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 170645270 SMQRHOMMWWXGON-CVEARBPZSA-N 374.510 2.974 0 50 FFAA Cc1cnccc1CC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 188289521 OTSQOIKEANWXHM-UHFFFAOYSA-N 368.433 2.526 0 50 FFAA CC(C)Oc1ccccc1CC(=O)NCc1ccnc(-n2ccnc2)c1 195368405 KZFBPOUHKJAQFE-UHFFFAOYSA-N 350.422 2.913 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529114640 RGIROOSTZBQNEW-NHCUHLMSSA-N 369.509 2.612 0 50 FFAA Cn1c(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc2cccc(Cl)c21 1704339512 KCXJEJKLEUKYAC-RDTXWAMCSA-N 369.852 2.902 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc4ccccc4s3)CC2)nc(N)n1 1772809861 GHRPSJZCDKBCEB-UHFFFAOYSA-N 367.478 2.934 0 50 FFAA COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)ccc1O 5999141 NBVTYGIYKCPHQN-UHFFFAOYSA-N 374.345 2.906 0 50 FFAA biogenic,in-vitro CCN(CC)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 11820380 KEWQAFZXBNAWMY-UHFFFAOYSA-N 371.547 2.725 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCCn3cncn3)C2)cc1 12459775 LQOVCLSBMFHFDR-MRXNPFEDSA-N 372.494 2.902 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@@H](CC2CCCCC2)C1 12579263 JDZHYCMBGBQTSW-INIZCTEOSA-N 358.438 2.792 0 50 FFAA CCOC(=O)CCNC(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C 12586172 JWDKKBADSDEWSF-AWEZNQCLSA-N 358.442 2.803 0 50 FFAA COc1ccc(-n2c(CNC(=O)Cc3ccccc3)nnc2SC)cc1 14882584 MPGJRLNOFUEPOB-UHFFFAOYSA-N 368.462 2.857 0 50 FFAA CC(=O)c1cccc(CN2CCC(CCC(=O)N3CCOCC3)CC2)c1 14968108 SMDSVYLTFJABOD-UHFFFAOYSA-N 358.482 2.740 0 50 FFAA COC(=O)c1ccccc1SCc1nc(N)nc(N2CCCCC2)n1 15108505 SICANCZCLPXAKF-UHFFFAOYSA-N 359.455 2.523 0 50 FFAA Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](C)C2 19899768 HQMIWLXGUWTSCH-HNNXBMFYSA-N 350.466 2.872 0 50 FFAA COCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C)cc1 5165724 OSKUOXCWDMBNBF-CYVLTUHYSA-N 352.434 2.919 0 50 FFAA biogenic CCOC(=O)[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 2815120 MHFINQXUWGMMFT-CQSZACIVSA-N 354.406 2.929 0 50 FFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)C2CCCCC2)cn1 1857717759 WZLQVRNWCLOPRL-PMACEKPBSA-N 374.529 2.755 0 50 FFAA O=C(c1cn2c(n1)CCNCC2)N1CCC[C@@H]1c1nc2ccccc2s1 1857726246 YXSMGPWSYKKABJ-OAHLLOKOSA-N 367.478 2.616 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nn1 1857728581 IEOQMZAACBVZCF-NRFANRHFSA-N 374.448 2.827 0 50 FFAA CC(C)n1ncc2cc(S(=O)(=O)N3C[C@H](C)Oc4ncccc43)ccc21 333016494 CIVOCNWLTCOWMI-ZDUSSCGKSA-N 372.450 2.988 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 128606492 IWPULIKPRJFPQN-OAHLLOKOSA-N 362.426 2.881 0 50 FFAA CCOC(=O)N1CCC([C@@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1 252490725 KZRVVJXKDFJGOK-GFCCVEGCSA-N 363.458 2.922 0 50 FFAA COc1ccc(CN2CCC3(CC2)C[C@@](O)(CO)CCO3)c2ccccc12 1704308028 CZIXUTRZZBJWNR-OAQYLSRUSA-N 371.477 2.717 0 50 FFAA Cc1cc2c(cc1NC(=O)CCc1nc(C(C)C)no1)sc(=O)n2C 828043294 GLFCYCWBBNALDK-UHFFFAOYSA-N 360.439 2.986 0 50 FFAA COC/C(C)=C/C(=O)N1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 952886992 HNEPDHHAEIXOFU-QZEGLACASA-N 369.465 2.982 0 50 FFAA Fc1ccc2c(c1)[C@H](n1cc(Cn3cncn3)nn1)CC1(CCCC1)O2 1875280225 BSNKUZNOZAEAFY-MRXNPFEDSA-N 354.389 2.742 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2CCOc3ccc(O)cc32)cc1 1875373453 BIOOIHCFEWHDPH-KRWDZBQOSA-N 352.390 2.795 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)C1(Cc2cccc(F)c2)CCC1 1875402060 AHVVUAGAJXCVSU-BHIYHBOVSA-N 371.456 2.691 0 50 FFAA CCN1C(=O)C[C@@H](CNc2nccnc2OC(C)C)[C@@H]1c1cccnc1 886038285 ZRPNTRVMTMOSBT-RDJZCZTQSA-N 355.442 2.680 0 50 FFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2ccccc2)CCCCN1 2100533636 BXSISODZMDKQQQ-IBGZPJMESA-N 357.498 2.674 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NCCC1CCC(c2ccccc2)CC1 2325781484 ULUFZLUPCYLELF-UHFFFAOYSA-N 356.466 2.910 0 50 FFAA CCCC1(C(=O)N2CC[C@H](NC(=O)COCC3CC3)C(C)(C)C2)CC1 2325794067 POYXORDYDJVCAZ-INIZCTEOSA-N 350.503 2.737 0 50 FFAA Cc1nn2c(c1C(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F)CCC[C@H]2C 2325798986 MSOMVBMPQNFZCU-JDNHERCYSA-N 363.364 2.923 0 50 FFAA CCc1nccn1Cc1cn(-c2ccc(F)c(Br)c2)nn1 2325842645 DHZPAFVOFXBANY-UHFFFAOYSA-N 350.195 2.976 0 50 FFAA C[C@](CC(=O)O)(NC(=O)c1n[nH]c2c1CCCCC2)c1ccc(F)cc1 2325865869 STRQXOXDZGWTBF-LJQANCHMSA-N 359.401 2.938 0 50 FFAA CC[C@H](C)CCC(=O)N(C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867685 CGBNQYZGCXWMGO-OOKSDGMUSA-N 351.535 2.650 0 50 FFAA C=CC(=O)N1CCC(c2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CC1 2325890762 NRLLKZIIQQCSBJ-UHFFFAOYSA-N 372.469 2.662 0 50 FFAA COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(Cl)cc1 877905375 IHXQXNGPCYAUAI-OAHLLOKOSA-N 370.877 2.929 0 50 FFAA COc1cc(C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1 2555917 LIKBPXJZEVOIRJ-UHFFFAOYSA-N 354.366 2.834 0 50 FFAA CCn1c(C)nnc1CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225398003 XUVASEQJHLGRPF-SWLSCSKDSA-N 354.376 2.933 0 50 FFAA CC(C)CCn1c(=O)n(CCC(=O)N2CCCC2)c2cc(C(=O)O)ccc21 55413798 SLLMTHGGIDGIJJ-UHFFFAOYSA-N 373.453 2.560 0 50 FFAA CC(C)Cn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21 100449261 VZDQQJPPARZIOS-UHFFFAOYSA-N 351.406 2.688 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1ccc2nsnc2c1 67856085 UXDIOQNUXKGTAZ-LBPRGKRZSA-N 351.435 2.580 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)NCCc3ccc(F)cc3)CC2)nc1 67881372 WJQFTAFESWPCCA-UHFFFAOYSA-N 357.429 2.765 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nc(C)n1 67621599 HSHPQSITAOSBFD-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA Cc1noc(C)c1CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67641181 OQPYDJISTYBSGK-UHFFFAOYSA-N 367.453 2.604 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cnn2c1 67688330 INSKSPFTHISBGP-CALCHBBNSA-N 353.470 2.609 0 50 FFAA COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2C)CC1 20638883 GHUIEPBPKHTFLH-SFHVURJKSA-N 356.466 2.566 0 50 FFAA Cc1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c2ccccc2n1 135732037 KWCFUUZVQBUJLF-QGZVFWFLSA-N 359.495 2.543 0 50 FFAA CC[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1C 65363185 QKIAXFFZNMWQEB-WBVHZDCISA-N 352.500 2.542 0 50 FFAA CCCN(CCO)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67712615 PWDGKQQJTIMSIV-UHFFFAOYSA-N 358.438 2.977 0 50 FFAA Cc1sc2nc(CSCC(=O)NCc3ccncc3)[nH]c(=O)c2c1C 36367102 NWKOTTYHTVBQPP-UHFFFAOYSA-N 374.491 2.546 0 50 FFAA CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 252458400 FKTSDRWPQUKSPJ-NVXWUHKLSA-N 364.921 2.950 0 50 FFAA CNC(=O)c1cccnc1N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77341785 MMXOFDLQSGWADN-NRFANRHFSA-N 372.513 2.696 0 50 FFAA Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)sc1C 2731131 ODOKQYKMHFYAGK-UHFFFAOYSA-N 370.521 2.573 0 50 FFAA CCN(CC)C[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 2781992 IQDUKKWEZWVGJI-SECBINFHSA-N 354.804 2.710 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)C[C@H]1O 72423551 PLHRIJSPHVQJFS-TZIWHRDSSA-N 355.434 2.710 0 50 FFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1nn(-c2ccc(F)cc2)c2c1CCC2 230270772 LDQONCJBQCDHPM-MJGOQNOKSA-N 368.456 2.857 0 50 FFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)N=c3cc[nH]cc3F)CC2)cn1 328629761 IQHYCFPYMJPKMO-AWEZNQCLSA-N 372.448 2.602 0 50 FFAA O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@H]1C1CCCCC1 328861942 AUTIVMOOPHMHJR-INIZCTEOSA-N 355.438 2.673 0 50 FFAA CCN(Cc1cc(CN2CCCCC2)cs1)[C@@H]1CCS(=O)(=O)C1 216505348 KWUXIGJXYWTAGI-MRXNPFEDSA-N 356.557 2.743 0 50 FFAA CCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71755372 KWSIWSZXOJPKTC-CYBMUJFWSA-N 361.225 2.639 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@@H]1CCS(=O)(=O)C1 72474975 IUAWEQZLHMCQKX-ZDUSSCGKSA-N 364.492 2.593 0 50 FFAA CN1CCN(c2cccc3c(S(=O)(=O)c4ccccc4)c[nH]c23)CC1 38192572 AOPYPEADLGTXRA-UHFFFAOYSA-N 355.463 2.753 0 50 FFAA CC[C@@H](C)NC(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77355376 JSMWFMDDLVSHTJ-GFCCVEGCSA-N 374.828 2.862 0 50 FFAA COc1ccc(-c2nc(CN3CCC4(CC3)CCN(C)C4=O)co2)cc1 373173330 NTPFBTFWZQQKEN-UHFFFAOYSA-N 355.438 2.795 0 50 FFAA CCCON1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190409 YIRYCPGMTQPMOF-OTGTWEQSSA-N 359.036 2.991 0 50 FFAA COCCc1noc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1 219627106 KPQBVVQSSPTZCX-CQSZACIVSA-N 368.437 2.770 0 50 FFAA Cc1cc(C)n(CCCC(=O)N[C@H](C)c2nc(-c3cccnc3)no2)n1 219898283 XXZWJBKCXDJKEY-CQSZACIVSA-N 354.414 2.603 0 50 FFAA COc1ccc(CN(C(=O)CN2CCC[C@@H](CCC(=O)O)C2)C2CC2)cc1 263114850 LIRNRGJJNDNNSH-INIZCTEOSA-N 374.481 2.763 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(c2nc3ccccc3o2)CC1 77320567 XYNJRGVQBPCMFJ-UHFFFAOYSA-N 366.469 2.936 0 50 FFAA CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 378309182 DWZCMYXTPYLSAY-BPUTZDHNSA-N 350.463 2.777 0 50 FFAA Cc1cc(N2C(=O)N[C@@H](C3CCOCC3)C2=O)cc(F)c1Br 333945113 SMSFQLOTNOXWMB-ZDUSSCGKSA-N 371.206 2.748 0 50 FFAA NC1(C(=O)N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)CC1 71767790 NEIIWNUJYWJKHF-IBGZPJMESA-N 350.462 2.927 0 50 FFAA Cc1ccccc1C1(CN[C@@H](c2cccnc2)c2nnc[nH]2)CCOCC1 284055468 KNGQFODCCYTCSG-IBGZPJMESA-N 363.465 2.936 0 50 FFAA Cc1[nH]ccc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82092827 BVCRJYSQAPQRLG-UHFFFAOYSA-N 355.486 2.988 0 50 FFAA Oc1cccc(CN2CCC(N[C@@H]3CCOC4(CCOCC4)C3)CC2)c1 82092355 GALLYXRKRVVJJF-LJQANCHMSA-N 360.498 2.674 0 50 FFAA O=C(NCc1cc2n(n1)CCN(C/C=C/c1ccccc1)C2)C1CCC1 426738974 CQFASUOXAGPDIR-VMPITWQZSA-N 350.466 2.828 0 50 FFAA COc1ccc2c(c1)[C@@H](NC(=O)c1n[nH]c(N)c1Cl)CC(C)(C)O2 223951366 PAXHZXKPUHJXMH-JTQLQIEISA-N 350.806 2.686 0 50 FFAA CCCOC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95352449 QONUDEKGTLWVIW-KFKAGJAMSA-N 358.438 2.824 0 50 FFAA C[C@@H](NC(=O)NCCCN(C)c1ccccc1)[C@@H](O)c1ccc(O)cc1 426503879 ADQSDIWINKULFN-DNVCBOLYSA-N 357.454 2.640 0 50 FFAA COc1cc2c(cc1CN1C[C@@H](C(=O)O)[C@H](c3ccccc3)C1)OCO2 91746899 HNZJFHKMMCVDPB-JKSUJKDBSA-N 355.390 2.724 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)Nc1ccc2ncn(C(C)C)c(=O)c2c1 334161716 HFYJJCAXXWKKHD-UHFFFAOYSA-N 353.426 2.889 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 91746368 VENMYPFMWVKCNV-OAQYLSRUSA-N 360.498 2.686 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1 96299658 LEHCRVWRLZJMAC-LJQANCHMSA-N 350.418 2.776 0 50 FFAA CO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)C1 426382845 AINCSNMBRJJLLV-SFHVURJKSA-N 363.421 2.785 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)NCc1ccc(Cl)cn1 179701475 OVCMIMVUUXHWFW-UHFFFAOYSA-N 361.833 2.597 0 50 FFAA c1cc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ccn1 91425754 RVYIGGZFFDQRIY-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1nnc2n1CCCC2 95375287 QPWSVPUZDGIZRB-HNNXBMFYSA-N 366.469 2.794 0 50 FFAA CC(C)CN1CC2(CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)CC1=O 91602879 RSUQJQAPRRBNAY-UHFFFAOYSA-N 371.525 2.792 0 50 FFAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N[C@H](C)Cc1ncccc1C 96140944 LGGSKTKZVNXDTI-CQSZACIVSA-N 365.441 2.642 0 50 FFAA COc1ccc([C@@H](NC(=O)N2CCCN(C)CC2)c2ccncc2)cc1 426377986 LNCIOLUARMTEBM-LJQANCHMSA-N 354.454 2.527 0 50 FFAA Cc1ccc2ncccc2c1CNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 95512820 JCEMKJFFSDLPOO-HNNXBMFYSA-N 354.454 2.553 0 50 FFAA Cc1ccc(CCC2CCN(C(=O)CN3CC[C@@H](C(=O)O)C3)CC2)cc1 178902825 FFPCLAVVPZBFNS-LJQANCHMSA-N 358.482 2.573 0 50 FFAA CC(C)n1ccnc1[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 95353473 NUPLURCVRBEUKL-HNNXBMFYSA-N 374.464 2.614 0 50 FFAA Cc1ccc(-n2cnnc2)cc1NC(=O)N(C)CCc1c(C)n[nH]c1C 95527292 JWTWVSVIPKUASO-UHFFFAOYSA-N 353.430 2.622 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1ccccc1C)CC2 91445250 ZZQDXIBMFNAFIR-UHFFFAOYSA-N 372.509 2.805 0 50 FFAA CN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)C1 95510429 DAHHSLYWMNYHLE-QGZVFWFLSA-N 356.514 2.667 0 50 FFAA CCOc1cc(Cl)c(CN2CC[C@]3(CCCNC3=O)C2)cc1OC 91713669 HPWNTSJLERMRDY-GOSISDBHSA-N 352.862 2.849 0 50 FFAA CCCc1cc(C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)O)no1 95384025 NYFSYPOIEXUEFW-KRWDZBQOSA-N 353.378 2.760 0 50 FFAA Cc1nn(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)c1C 97698628 NRAZZXNKPDXAPJ-UHFFFAOYSA-N 361.873 2.972 0 50 FFAA CSCC[C@@H](CO)NC(=O)Cn1ccc2ccc(Br)cc21 253403815 HMBUTCRCKAHYIX-ZDUSSCGKSA-N 371.300 2.634 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)C1 534666163 PMJDITZGQSNKLN-HNNXBMFYSA-N 354.454 2.708 0 50 FFAA O=C(c1conc1-c1ccccc1)N1CCCC[C@@H]1CN1CCOCC1 299766954 FGXGIVUSZDEQAR-QGZVFWFLSA-N 355.438 2.669 0 50 FFAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 299786531 MXINUORRUYXYHL-KRWDZBQOSA-N 360.458 2.981 0 50 FFAA NC(=O)Cc1cccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1 299775323 ICPLOXFRSPIPGM-UHFFFAOYSA-N 371.412 2.929 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)N(Cc2nccs2)C2CC2)cc1 299768058 FNXXKIWXQNXZIC-UHFFFAOYSA-N 374.466 2.716 0 50 FFAA CN1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)CC1 888104749 KRVMUIVMCDCGIA-UHFFFAOYSA-N 355.482 2.509 0 50 FFAA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(C(C)C)C(=O)C1 1463802983 BJUIGJAMABFBDJ-UHFFFAOYSA-N 352.500 2.534 0 50 FFAA Cc1cnc2c(S(=O)(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)cccc2c1 221923893 DOANCMYCYVZVON-ZBFHGGJFSA-N 361.511 2.942 0 50 FFAA CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 170598944 YDDPQSLCMHGFPQ-YOEHRIQHSA-N 352.500 2.976 0 50 FFAA C[S@@](=O)C[C@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1 170649101 KWDZMZFXSKQPSO-LFPIHBKWSA-N 360.460 2.966 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)n3ccc4ccccc4c3=O)C2)c1 279272750 WNBHHSIPAGIDRL-FUHWJXTLSA-N 364.449 2.931 0 50 FFAA CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC(NC(=O)C3CCC3)C2)c1 188799612 XAVYQXNGRQYFKO-CQSZACIVSA-N 359.470 2.845 0 50 FFAA CS(=O)(=O)Cc1ccccc1CNC(=O)C(F)(F)c1ccccc1F 765851922 IKZGDWVETZBAAG-UHFFFAOYSA-N 371.380 2.779 0 50 FFAA CCN1CCC(N(CCc2ccccn2)Cc2cccc(C(=O)O)n2)CC1 1506424114 YXIDFWQUZMTFBB-UHFFFAOYSA-N 368.481 2.704 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)s1 1506410940 VTLOMZBWIYLIDT-OAHLLOKOSA-N 359.499 2.673 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CC34CC4)CC1)OCC2 1704300025 UQJCPRUHZHHGOH-MRXNPFEDSA-N 357.450 2.894 0 50 FFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2nsnc2C)cc1 1775980339 YTWGNAQRGILHHX-INIZCTEOSA-N 361.467 2.719 0 50 FFAA CC(=O)c1cccc(NC(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 12055415 NVXFMRHCUCDLPO-SFHVURJKSA-N 369.396 2.951 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2c[nH]cn2)C1 12305141 YQPHUHRVPUBZPK-IBGZPJMESA-N 359.401 2.577 0 50 FFAA O=C(c1ccccn1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12590992 YIQBDTDGWNHIBM-OAQYLSRUSA-N 367.424 2.876 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2cn(Cc3ccccc3Cl)nn2)n1 12596391 SLKJCPFORHUQHS-ZDUSSCGKSA-N 372.860 2.612 0 50 FFAA CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1ccc(O)cc1)CC2 14749329 BOGUGEOUVJCSNC-UHFFFAOYSA-N 357.454 2.980 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccccc3C)C2)nn1 14996232 ROCJBMPVFYSCBQ-GOSISDBHSA-N 355.486 2.906 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1OC 19210261 IKSOXBDFXYCRFW-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 6701898 XVBABOWITGGXHE-UHFFFAOYSA-N 360.435 2.756 0 50 FFAA COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1C(=O)N[C@H](C)c1nnc(C)s1 1857528911 WNCBSMWLMFIBIF-RUHJCQMXSA-N 359.451 2.773 0 50 FFAA C[C@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1c1ccc(F)cn1 1857674264 AILNRUAUTMZYGH-INIZCTEOSA-N 358.461 2.989 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)o1 1857712561 DDUOWQAVHZZCCT-TVKQPGBESA-N 356.422 2.590 0 50 FFAA COc1ccc2[nH]c(C(=O)N3C[C@@H](O)[C@H](Cc4ccccn4)C3)c(C)c2c1 1875247863 RIEHAUNOJJJMOJ-AUUYWEPGSA-N 365.433 2.556 0 50 FFAA Cc1ccc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cc1 213117253 HWPIJRNNJKIPCX-CVEARBPZSA-N 353.374 2.664 0 50 FFAA O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1coc(-c2ccccc2)n1 119330111 HGGCLFOAZQEKCA-OAHLLOKOSA-N 355.438 2.572 0 50 FFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 328864691 NBCNBOHUSRSVNS-WDEREUQCSA-N 367.375 2.663 0 50 FFAA COc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1Br 237185967 QRLCEJLPTWBNRG-UHFFFAOYSA-N 370.243 2.714 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)c2)no1 237698070 NFJURMYHIGVHLG-RCBQFDQVSA-N 355.394 2.903 0 50 FFAA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)Cc1cnc2ccccc2c1 131339535 IHKSNPOAIHIWBI-MRXNPFEDSA-N 366.446 2.864 0 50 FFAA CO[C@H]1C[C@@H](CNC(=O)c2cc3cc(C)ccc3o2)N(c2ccncn2)C1 864336682 RZQQIYWHLOFONB-HOTGVXAUSA-N 366.421 2.555 0 50 FFAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 1875263668 WGDHQTXBFGSAJI-DABSQPGBSA-N 352.434 2.890 0 50 FFAA C[C@@H]1CCN(c2cnc(F)cn2)C[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 1875333851 NXPYABOORTULBY-CZUORRHYSA-N 367.428 2.989 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320483 REQABGXGQPHBFQ-UKRRQHHQSA-N 370.371 2.638 0 50 FFAA O=C(c1c[nH]nc1-c1cccs1)N1CCN[C@H](Cc2ccccc2)C1 2325858258 FUOGEPMQNNHISR-OAHLLOKOSA-N 352.463 2.795 0 50 FFAA CO[C@H](C)c1nc(-c2cnc3[nH]cncc2-3)n([C@@H](C)C2CCOCC2)n1 2325880095 UUVOECVEWYGJFQ-NWDGAFQWSA-N 356.430 2.863 0 50 FFAA CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC2=O)cc1 1464338 KIYCPZUGSBNQLX-SFHVURJKSA-N 362.389 2.819 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)CCn2nc(C)c(C)c2C)C1=O 2356151507 LJUWAHMHLVBYCO-FQEVSTJZSA-N 360.502 2.592 0 50 FFAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccccc1-c1ccccc1)C2 2356152895 GKGILABOFPRUOE-KKSFZXQISA-N 351.402 2.615 0 50 FFAA Cc1ccc([C@H](O)CNC(=O)Cc2nc(C)ccc2Br)cc1 225413541 IYELAUYQTBBFGQ-MRXNPFEDSA-N 363.255 2.853 0 50 FFAA CCOc1ccccc1C(=O)NCC(=O)N1CC[C@H](c2cccc(F)c2)C1 225548924 RGZIUYXHDDHLSZ-INIZCTEOSA-N 370.424 2.970 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC(C)C)c2ccccc2)C1 58062388 SGNJBPBRIFCHGO-ZWKOTPCHSA-N 366.527 2.952 0 50 FFAA O=C(NC[C@H](O)c1cccnc1)Nc1nnc(CCc2ccccc2)s1 23505945 YGOOFIFOYOXHLW-HNNXBMFYSA-N 369.450 2.573 0 50 FFAA COc1ncc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1C(N)=O 133571228 UAYJNIOXRMXSOX-UHFFFAOYSA-N 357.263 2.599 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]n2)cc1 136433860 IQUIYAKCNJAPRG-QGZVFWFLSA-N 366.465 2.906 0 50 FFAA COC(=O)CCCC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20600140 BTRVIQAFVJVTKJ-ZDUSSCGKSA-N 373.375 2.529 0 50 FFAA CCN(Cc1ccc(C(=O)Nc2cnns2)cc1)Cc1nc(C)no1 65386631 OCHDBYDVIREXGB-UHFFFAOYSA-N 358.427 2.504 0 50 FFAA O=C(O)c1ccc2nc(/C=C/c3cnc(N4CCOCC4)nc3)ccc2c1 124777166 QMGHHRHHRXLSKM-DAFODLJHSA-N 362.389 2.730 0 50 FFAA COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(C(C)C)C3)n2)c(OC)c1OC 23231380 OHVPSAQMBSQTSF-LBPRGKRZSA-N 359.426 2.827 0 50 FFAA COc1nc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc2ccccc12 280656618 UZDJYZWGEVGKFB-FQEVSTJZSA-N 356.422 2.654 0 50 FFAA CCOc1ccc2[nH]c(=O)c(CN3CCN(c4ccncc4)CC3)cc2c1 67559939 IYJXMOZEKOXPEW-UHFFFAOYSA-N 364.449 2.644 0 50 FFAA c1ccc(-c2ncc(CN3CCc4[nH]cnc4[C@H]3c3ccncc3)cn2)nc1 67803978 LIKCRWBLWZAUNV-HXUWFJFHSA-N 369.432 2.804 0 50 FFAA COc1ccccc1S(=O)(=O)C[C@@H](O)COc1ccc(F)cc1Cl 1399264 NJAJQTWTPCRFAA-LBPRGKRZSA-N 374.817 2.701 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCC(c2ccncc2)CC1 77391947 KIKXUOLRFUYQFM-UHFFFAOYSA-N 362.433 2.588 0 50 FFAA COc1ccc2c(CN3CCN(Cc4cccc(F)c4)C(=O)C3)n[nH]c2c1 72119559 YPHDMIXMJPRPLI-UHFFFAOYSA-N 368.412 2.555 0 50 FFAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCCN(CC2CCCCC2)CC1 332205288 DNHRDAUXRDUFMS-LPHOPBHVSA-N 351.535 2.652 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)s1 77321708 IEMAEXVYAJKNTC-CQSZACIVSA-N 356.513 2.612 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1 172678456 AXYGKXSJDALXEW-MAUKXSAKSA-N 353.397 2.743 0 50 FFAA C[C@@](CO)(CNC(=O)c1ccc(OCC(F)F)nc1)Cc1ccccc1 240540915 GQFJKDYKSKEPRB-IBGZPJMESA-N 364.392 2.697 0 50 FFAA CCO[C@@H](C)c1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cs1 237037327 KOMLTUODQSJEAM-BLLLJJGKSA-N 374.462 2.821 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 156406660 SDTQAMXSDXWOIZ-HUUCEWRRSA-N 350.890 2.974 0 50 FFAA N[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 128669478 FEIKNDSLFIERLM-HZPDHXFCSA-N 360.408 2.639 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ncc(C(C)(C)C)s1 448107218 FQOUWVKRWYIKBK-KRWDZBQOSA-N 372.494 2.777 0 50 FFAA Cc1nc(CC2CC2)oc1C(=O)NCC(=O)Nc1cccc2cccnc12 241262017 LAOZIWXANOTOEG-UHFFFAOYSA-N 364.405 2.852 0 50 FFAA Cc1cnc(C)c(N2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)n1 214974997 HFLCWYZRXSBVDN-UHFFFAOYSA-N 354.483 2.867 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)c(C)n1 77453483 RMSXHXNXZPJFRB-NRFANRHFSA-N 372.513 2.984 0 50 FFAA O=C(CCC(=O)N1CCC[C@H](c2ccc(F)cc2)CC1)N1CCOCC1 378494086 LBFNXFUNKWGMQX-INIZCTEOSA-N 362.445 2.561 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 72409797 SAXCURZJCKBIEX-QGZVFWFLSA-N 372.509 2.911 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1N1CCNC1=O 173784511 CGFPHSXDEQYDGO-CQSZACIVSA-N 355.394 2.795 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 82097363 QUJJENDUFQPOKL-GFCCVEGCSA-N 361.829 2.760 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c1 426563509 SAVFAUQJXPHNQW-MRXNPFEDSA-N 355.438 2.533 0 50 FFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426484936 XUGKTSNGECWRBY-OJXGSEEGSA-N 373.280 2.575 0 50 FFAA COc1cccc(CC(=O)N2CC(=O)N(c3ccccc3C)C[C@@H]2C)c1 82098564 QKHMBLZDFOZZRY-INIZCTEOSA-N 352.434 2.810 0 50 FFAA C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(F)cc2F)C1=O 177539200 UCNVBSNAEUTTMU-IBGZPJMESA-N 374.343 2.703 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1c(F)cccc1F)C2 19607699 FPBZGQKVEJAKKE-UHFFFAOYSA-N 374.435 2.976 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)CC[C@H]3CCOC3)CC2)cc1 177720041 CBTZUZDTOQRCCV-INIZCTEOSA-N 374.481 2.623 0 50 FFAA CC(C)N1CC[C@@H](CNC(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 426490372 UTVMKSFXYSNQSD-HNNXBMFYSA-N 357.458 2.608 0 50 FFAA C[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 426488576 YXNGUILHWCHHMP-NSHDSACASA-N 363.339 2.728 0 50 FFAA CCn1c(O)nc2cc(C(=O)N3CC4(CCC4)[C@H]3C3CC3)ccc2c1=O 291172300 RVDCIQGNXSPUSO-MRXNPFEDSA-N 353.422 2.527 0 50 FFAA Cc1cccc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)c1C 426361284 MQGMMHNRQWPCQK-UHFFFAOYSA-N 366.465 2.572 0 50 FFAA CNC(=O)Cn1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cn1 194351443 ZQGYQAHTCBFFHP-ZDUSSCGKSA-N 366.421 2.533 0 50 FFAA CC[C@@H](c1nc(-c2ccco2)nn1CC(=O)O)N1Cc2ccccc2C1=O 97495275 UXSOHPRIPHONRD-AWEZNQCLSA-N 366.377 2.730 0 50 FFAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1cn2ccsc2n1 91769732 QGZLVCXVOXFVHA-CQSZACIVSA-N 352.423 2.549 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 95359795 WHDNPYHFJJYQOD-AZUAARDMSA-N 365.477 2.843 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)[C@H]1CCCN(Cc2ccco2)C1 95355531 RDUPXSQXIFAYKN-SFHVURJKSA-N 364.449 2.994 0 50 FFAA O=C(CN1C(=O)CCNC1=O)N(Cc1ccccc1)CC1CCCCC1 95531255 DPXINHJGRBTXHM-UHFFFAOYSA-N 357.454 2.537 0 50 FFAA CC(=O)N1CCC(NC(=O)N2CCC[C@H](COc3ccccc3C)C2)CC1 426621540 CGPSMWBQBRSHJX-SFHVURJKSA-N 373.497 2.806 0 50 FFAA CNC(=O)c1ccc(Cl)c(NC(=O)NCCCc2c(C)n[nH]c2C)c1 96152126 ITQWIKOKMVFVLP-UHFFFAOYSA-N 363.849 2.794 0 50 FFAA CN(C)C(=O)CN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95372279 HTRXQDQEVFXQEN-LJQANCHMSA-N 355.526 2.809 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(c3cc(N)nc(N)n3)CC2)C1 92028967 HDHYDIDCVYJVCQ-QGZVFWFLSA-N 366.513 2.737 0 50 FFAA COCc1nc(N(C)Cc2c(C)nn(C(C)C)c2C)cc([C@H]2C[C@@H](N)C2)n1 244601938 DURFRQFGKIPLRG-IYBDPMFKSA-N 372.517 2.858 0 50 FFAA COc1ccc([C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]2C[C@@H](O)C2)cn1 240825155 QNLJNPCOUCXIMG-KHYOSLBOSA-N 370.424 2.889 0 50 FFAA CCOC(=O)c1nc(NC(=O)COc2cccc3c2ccn3C)sc1C 252496287 PFTHWLDEENFDEA-UHFFFAOYSA-N 373.434 3.137 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)cc1F 252552049 UMXLBKKGZBAHII-KSMMKXTCSA-N 373.380 2.805 0 50 FFAA C[C@H]1CNC(=O)CCN1C(=O)c1ccc(-c2ccc3c(cnn3C)c2)cc1 534590691 NPDAVLXSBHLHFT-AWEZNQCLSA-N 362.433 2.591 0 50 FFAA Cc1ccc(SCCNC(=O)N2CCC(N3CCOCC3)CC2)cc1 534582516 ZNYPKZJBAGCRHJ-UHFFFAOYSA-N 363.527 2.593 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 55042386 HRKDMWBWCHOOFM-OAHLLOKOSA-N 360.458 2.699 0 50 FFAA COc1ccc(-c2cccc(C(=O)NCc3cncn3CC(C)C)c2)nn1 299757677 IOBNSNQCKMKDMH-UHFFFAOYSA-N 365.437 2.935 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc2)c1 299760260 IMYCIZRFIHPQIM-OALUTQOASA-N 371.437 2.626 0 50 FFAA CCSc1ccccc1NC(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 299797666 SBOOQOJLFYVXIA-CYBMUJFWSA-N 371.528 2.592 0 50 FFAA C[C@H]1CNC(=O)c2cnn3c2NC(=N[C@H](C)c2cc(F)ccc2O1)C=C3 725326492 FIKPXCOQUIZNHB-WDEREUQCSA-N 355.373 2.589 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1 1352281990 XKAANMGCQODLSF-FQEVSTJZSA-N 374.437 2.711 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)c3c(C)nc4sccn34)[nH]c2c1 952871815 DEUIBAVKRSDYOJ-UHFFFAOYSA-N 369.450 2.904 0 50 FFAA Cc1ccsc1CN(Cc1ccccn1)C(=O)[C@@H](C)Cn1cncn1 952987308 WDUUGFNHBKCSIG-HNNXBMFYSA-N 355.467 2.908 0 50 FFAA O=C(CSc1ccncc1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565508343 AFMKYCZZJQCQCI-ROUUACIJSA-N 358.463 2.664 0 50 FFAA Cc1nccn1CC1(CNC(=O)[C@H](C)c2nnc(O)c3ccccc23)CC1 952988105 BDHBJNDQQJZWTK-CYBMUJFWSA-N 365.437 2.540 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCC[C@H](CO)C1 188164505 GJDMYYPDSZAWNN-JSGCOSHPSA-N 372.296 2.986 0 50 FFAA CCc1noc(-c2ccc(C)c(NC(=O)c3csc(CCN)n3)c2)n1 194820826 HQQFLKNGTLJUQI-UHFFFAOYSA-N 357.439 2.817 0 50 FFAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 773190349 SWHAEMLELHYPQV-ZDUSSCGKSA-N 351.410 2.572 0 50 FFAA COc1ccc2[nH]c(C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)c(C)c2c1 1529167340 KDRLCCRDQVFUJS-QLFBSQMISA-N 369.465 2.814 0 50 FFAA Cc1ccc(Cl)cc1N(CC(=O)N1CCC(C)CC1)S(C)(=O)=O 889778 ACPWUSBDRCHWHT-UHFFFAOYSA-N 358.891 2.673 0 50 FFAA COc1ccc(/C=C/C(=O)NC(=S)NCc2ccccc2)cc1OC 1232386 JHXBHOPLCXWIRT-PKNBQFBNSA-N 356.447 2.908 0 50 FFAA O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCc2ccccc2C1 17946124 ZQPRSBZCVRVKGP-UHFFFAOYSA-N 363.446 2.888 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1OC 19561062 BXDPCUYDPFQNTE-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA OCc1cn(CC2CCN(Cc3ccc4cc(Cl)ccc4n3)CC2)nn1 19606476 JVAPMBWFXDIUHG-UHFFFAOYSA-N 371.872 2.884 0 50 FFAA CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 2813687 LIOZQCNJHDSLEV-UHFFFAOYSA-N 352.843 2.671 0 50 FFAA CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 2848319 DBKMWWQREFCJMQ-UHFFFAOYSA-N 368.455 2.807 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(N2CCCC2=O)cc1 1857696189 QNMJUROSHUGNSF-RZQQEMMASA-N 356.422 2.671 0 50 FFAA COc1ccc(Cc2nnc(NC(=O)C3CCOCC3)s2)cc1OC 1857719591 QDOZZVJJGGUAOX-UHFFFAOYSA-N 363.439 2.511 0 50 FFAA CCc1ccc(CCCC(=O)N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1 1857723280 YFWHUVNPYGLWMA-QHAWAJNXSA-N 356.510 2.940 0 50 FFAA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc(COc4ccccc4)cc3)C[C@H]2CO1 1857733246 BDMQYPNNOJUQCK-UXPWSPDFSA-N 366.461 2.857 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)[nH]n1 117849524 GZCNAVQNOISVDZ-KRWDZBQOSA-N 370.453 2.923 0 50 FFAA O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1C[C@H](c2ccccc2)C2(CCC2)C1 333995782 NKTATHUWIFGUSV-ZWKOTPCHSA-N 373.518 2.998 0 50 FFAA Cc1c(C(=O)N2CCC(N)CC2)cnn1-c1cccc(C(F)(F)F)c1 237736006 SLZBKERLOBPELN-UHFFFAOYSA-N 352.360 2.763 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cnn(Cc2ccccc2)c1 238047082 CQIBXOUGERWXMQ-LJQANCHMSA-N 361.401 2.583 0 50 FFAA Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 132080833 RWERTUIUXLIAAB-UHFFFAOYSA-N 361.401 2.866 0 50 FFAA O=C(NCC(=O)N1CCOCC12CCC2)c1ccc(Cl)c(Cl)c1 152026650 WSDJEPSFSIKDHJ-UHFFFAOYSA-N 357.237 2.505 0 50 FFAA Cc1ccc(F)c2[nH]c(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)cc12 864149210 OYNVAJBBYWBPCE-UHFFFAOYSA-N 370.384 2.987 0 50 FFAA CN(C[C@H]1CCCNC1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1875277748 CGINFUXFENSFMQ-HNNXBMFYSA-N 373.884 2.622 0 50 FFAA NCc1ccccc1CCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 1875287243 AFUUGRVQGVNGNF-SFHVURJKSA-N 371.868 2.653 0 50 FFAA C=CC(=O)NCC(=O)N[C@@H]1CCCSc2ccc(Br)cc21 1875371265 VLMKINDOPGWXLT-GFCCVEGCSA-N 369.284 2.795 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](NC(=O)C3(C)CC3)CC[C@H]2C)c(C2CC2)n1 1875406729 KXPCYLXYDBZZTR-HIFRSBDPSA-N 358.486 2.690 0 50 FFAA COc1cncc(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 880564182 FMUBJAZEQKSMGQ-KRWDZBQOSA-N 354.410 2.575 0 50 FFAA CCOc1cccc(CNC[C@@H]2CC(=O)N(CC)[C@H]2c2nccn2C)c1 886060505 AWGMMLFOFRTQLP-QFBILLFUSA-N 356.470 2.518 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@H](n2cc(I)cn2)C1 1565504890 AVKYPEJADQPLFE-JTQLQIEISA-N 363.199 2.670 0 50 FFAA O=C(NCc1cc2cc(F)ccc2s1)N1CCN(Cc2ncc[nH]2)CC1 2325729133 VZPGPPWWJLWTJO-UHFFFAOYSA-N 373.457 2.791 0 50 FFAA COC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](c3cn(C)c4ccccc34)C2)C1 2325739104 DCNFMUVHTXSCTP-HZPDHXFCSA-N 369.465 2.973 0 50 FFAA CC(=O)NC[C@@H]1CCC12CCN(C(=O)c1coc3ccc(O)cc13)CC2 2325821149 JHMGIZIHJHMWPB-AWEZNQCLSA-N 356.422 2.907 0 50 FFAA COCCc1nc(-c2cnn3c2CCC[C@H]3C)n([C@@H]2CCOC2(C)C)n1 2325849241 JJGUZKKCUSRLFN-CZUORRHYSA-N 359.474 2.968 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 2325888782 ZEDLWVAHWOSHOK-GOSISDBHSA-N 354.450 2.533 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 917591 DOIAHZNDNWSMRY-UHFFFAOYSA-N 357.391 2.550 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2[nH]c3ccc(OC)cc3c2C)CC[C@@H]1O 2356139053 LHBLITUDKGSUGB-OXJNMPFZSA-N 374.437 2.563 0 50 FFAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)OCCc2cc(OC)ccc23)C1 2356146846 XPWULOHXHBJFFO-KRWDZBQOSA-N 374.481 2.790 0 50 FFAA O=C(c1cc(O)c2cccc(F)c2n1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356155710 KMYAEWVSTMNGKG-FQEVSTJZSA-N 366.396 2.923 0 50 FFAA COc1cc(F)c(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1OC 2356168979 RFHGWGUHIPTPCW-FQEVSTJZSA-N 362.445 2.962 0 50 FFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)c(OC)c1 3905494 JKOKFNXZIXBFNB-INIZCTEOSA-N 358.398 2.536 0 50 FFAA COc1cccc([C@H](C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)c1 100695826 PVYFFSQPIZEDHW-KRWDZBQOSA-N 356.330 2.630 0 50 FFAA O=C1CC[C@@H](NC2CCN(CC(F)(F)F)CC2)[C@H](c2ccccc2)N1 414318677 MKORPJACICXZDF-WBVHZDCISA-N 355.404 2.623 0 50 FFAA Nc1nccc(N2CCC[C@@H](OC(=O)c3ccc4c(c3)CCCC4)C2)n1 225855786 NTVBRNROAZSEHF-QGZVFWFLSA-N 352.438 2.763 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608224 MAZQUZXRIUQZAM-CYBMUJFWSA-N 372.918 2.797 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)O 136472767 FDARZMDJLKDOMU-QGZVFWFLSA-N 359.401 2.636 0 50 FFAA CCCNc1ccc(C(=O)N2CCC(n3cc([C@@H](C)O)nn3)CC2)cc1 23231891 AAYKJSNAWIYTSK-CQSZACIVSA-N 357.458 2.631 0 50 FFAA COC(=O)[C@]1(C)C[C@H](C(=O)NC2CCC2)[C@H](c2ccc(Cl)cc2)N1C 55200182 IOGVQNPGRKDUKN-BXWFABGCSA-N 364.873 2.933 0 50 FFAA CN(C)c1ccnc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n1 67771552 YFUITYDBLGXNCV-IBGZPJMESA-N 362.424 2.642 0 50 FFAA C[C@@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1cn2ccsc2n1 67851453 OGRQHPWTXZRCKK-SNVBAGLBSA-N 353.407 2.983 0 50 FFAA CC(=O)Nc1ccc(-c2cn(C[C@H]3COc4ccccc4O3)nn2)cc1 67654227 QOZYTAKLIXCZRN-INIZCTEOSA-N 350.378 2.744 0 50 FFAA Cc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc([C@@H]2CCCNC2)n1 67742735 AXTLBHXWBZXWOT-CQSZACIVSA-N 367.428 2.845 0 50 FFAA CS(=O)(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)O 65384108 KIFOIFRCULEHSW-UHFFFAOYSA-N 370.430 2.960 0 50 FFAA Cc1nc(CCNC(=O)[C@H](C)n2ccnc2C(C)C)nc2c1CCCC2 65497578 SNPWXSCYEXXUID-HNNXBMFYSA-N 355.486 2.904 0 50 FFAA CS(=O)(=O)c1ccc2ncnc(NCc3ccn(C4CCCC4)n3)c2c1 252490743 LAAQLZXZKMTFBQ-UHFFFAOYSA-N 371.466 2.957 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1nc(-c2ccccc2)no1 67852464 URJZVTNJZSQOBQ-CQSZACIVSA-N 361.405 2.625 0 50 FFAA O=C(CCNC(=O)c1cccc([C@@H]2CCCNC2)c1)NC1CCCCC1 216223082 MWPOVCKFGQMCOB-GOSISDBHSA-N 357.498 2.722 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)C[C@H]1CCc3ccccc31)C2 72429843 QJFVVUCIJHABRG-MRXNPFEDSA-N 367.449 2.753 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C 72170415 YHSALLDYPQJHQQ-GOSISDBHSA-N 366.461 2.872 0 50 FFAA COCCCN1C[C@@]2(CCCN(c3cc(C4CC4)ncn3)C2)CCC1=O 72424176 UJOREKMJZIYQNI-FQEVSTJZSA-N 358.486 2.600 0 50 FFAA CC[C@@]1(C(=O)O)CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 215421723 GDGPHOBRLKLWFS-QGZVFWFLSA-N 355.818 2.880 0 50 FFAA CCOc1cc(C(=O)N[C@H](C)C(OC)OC)ccc1OCc1cccnc1 253417393 WXIXGXLSJBPGHG-CQSZACIVSA-N 374.437 2.797 0 50 FFAA CCN1CCC[C@@H](CN(C)[C@H]2Cc3ccccc3[C@@H]2O)[C@@H]1c1cnn(C)c1 328641277 QOHSZGPSLPBETR-MVWVFHAYSA-N 368.525 2.783 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 72468879 VDYIWKAKPFMJAG-INIZCTEOSA-N 358.463 2.662 0 50 FFAA Cc1ccc(C)c(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c1 72424409 ZDHJONGQDJIIGN-IBGZPJMESA-N 370.493 2.981 0 50 FFAA CC(C)CC(=O)N1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72447335 XUIUHWIGBWDUAH-UHFFFAOYSA-N 360.498 2.721 0 50 FFAA CCc1noc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n1 72435796 GFUHIMYVZOYUIJ-GOEBONIOSA-N 374.510 2.749 0 50 FFAA O=C(c1ccc(Br)cn1)N1CCNC[C@@H]1c1cccc(F)c1 261987548 ORXRVHLYEUYDRQ-OAHLLOKOSA-N 364.218 2.770 0 50 FFAA O=C([C@@H]1CCCc2n[nH]cc21)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 333263882 JEXDPLCEYJOPQC-SQGPQFPESA-N 350.466 2.563 0 50 FFAA Cc1ccn2c(F)c(C(=O)NCc3nc(Cc4cccs4)no3)nc2c1 215925059 HWFGVWUHRCEHDM-UHFFFAOYSA-N 371.397 2.747 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2=O)cc1 77353926 MHPQTCWCUZMVEA-QGZVFWFLSA-N 358.438 2.761 0 50 FFAA Cc1ccc(OCc2ccc(C(=O)N3CC[C@H](CC(N)=O)C3)o2)c(C)c1 377146763 OWLYPPQFXJVIPD-OAHLLOKOSA-N 356.422 2.813 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 42199177 IYCQSDPPUYJCSF-UHFFFAOYSA-N 372.238 2.920 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 223610569 HFXJUWGGCGHEFG-SJORKVTESA-N 355.438 2.699 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)NCc2nnc(-c3ccccc3)o2)n1 426495617 MVNCGYMEHXHQIC-CQSZACIVSA-N 368.397 2.865 0 50 FFAA CCCc1ncncc1C(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 222438238 BHNRQHSJRUSSQC-MSOLQXFVSA-N 359.401 2.535 0 50 FFAA Cn1c(SCc2ccccc2-n2cccn2)nnc1C1CCNCC1 426538237 AGUOQUBJFHSZQR-UHFFFAOYSA-N 354.483 2.760 0 50 FFAA CC(C)(C)c1cc(NC(=O)CN2CC[C@@](C)(O)C2)n(-c2ccccc2)n1 177982665 UNRVPIWOJQLYDA-HXUWFJFHSA-N 356.470 2.565 0 50 FFAA Cn1ccnc1-c1ccccc1C(=O)N1CCOc2ccc(CO)cc2C1 426582822 MVOJTFWROICQFG-UHFFFAOYSA-N 363.417 2.614 0 50 FFAA CC(C)[C@@H]1CN(Cc2ccccc2Cn2cccn2)C[C@H]1NC(=O)N(C)C 95519051 GGQJNNUCUSEIMD-VQTJNVASSA-N 369.513 2.659 0 50 FFAA COc1coc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1=O 95391423 JXJXIUFWHVLYHF-ZDUSSCGKSA-N 367.361 2.676 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F 237064594 VXOIFNWHGLGNLU-UHFFFAOYSA-N 370.380 2.923 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCCN4CCC[C@H]4C3)cc2)c(N)n1 426635657 XLXWFKRJZZIYOS-SFHVURJKSA-N 350.466 2.950 0 50 FFAA CCCn1cnnc1CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91574223 QXZAZHDHWXPBPM-HXUWFJFHSA-N 370.453 2.788 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)c1ccc([C@@H](C)N2CCCCC2)o1 97213365 ACEWTUREOVNYHK-OAHLLOKOSA-N 370.515 2.627 0 50 FFAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)c1 95362463 ASYZCHGBYDFVIZ-INIZCTEOSA-N 368.437 2.723 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)Cn2c(=O)c(C)nc3ccccc32)no1 95496532 AVJGJVNDIZVKMS-GOSISDBHSA-N 366.421 2.755 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)N(C)c1ccccc1)CC2 91680351 RHHXSPAHHOUMDO-UHFFFAOYSA-N 373.497 2.984 0 50 FFAA CCCc1ccc(CN2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)o1 230513819 OHAASSMCOMPNML-FQEVSTJZSA-N 369.469 2.650 0 50 FFAA Cc1ccc2snc(C(=O)N3CSC[C@H]3C(=O)N3CCCC3)c2c1 293490179 SSVZUMJWOHKYKD-ZDUSSCGKSA-N 361.492 2.742 0 50 FFAA Cc1cccc(OCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)c1 91321667 KDKJYLWWFRMWTF-ZWKOTPCHSA-N 368.481 2.528 0 50 FFAA C[C@@]12C(=O)O[C@H]3CC[C@@H]4[C@H]3[C@@H]1[C@H]1[C@H]4[C@]3(C)C(=O)O[C@@H]4CC[C@H]5[C@H]2[C@@H]1[C@H]3[C@@H]54 253596356 QKTJEGVAGWMOHM-GZATYBJQSA-N 354.446 2.654 0 50 FFAA Cc1oc(CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)cc1C(=O)O 299749684 LHNKCIBSNFWFMU-OAHLLOKOSA-N 359.378 2.774 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2nc3ccccn3n2)C1 184401607 FSJDETUZQCISQT-HNNXBMFYSA-N 368.416 2.967 0 50 FFAA Cc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c2cc(O)ccc2n1C 252488581 IUYLHVYLCJFZON-QGZVFWFLSA-N 371.481 2.566 0 50 FFAA COc1ccc2oc(CNC(=O)N3CC[C@H](n4nc(C)cc4C)C3)nc2c1 534647171 ONFFTBBNUOGWER-AWEZNQCLSA-N 369.425 2.806 0 50 FFAA O=C(Nc1cccc2cn[nH]c12)N1CCC([C@@H](O)c2ccccn2)CC1 299755120 CEDLACNNJPCKCL-GOSISDBHSA-N 351.410 2.935 0 50 FFAA O=C1C[C@H](n2nc(C34CC5CC(CC(C5)C3)C4)oc2=S)[C@H]2CO[C@H]1O2 828244592 WMNBRSOAKOGCEM-SBSYESEVSA-N 362.451 2.929 0 50 FFAA O=C(CCc1nc2ccccc2s1)NCc1nc(-c2ccncc2)n[nH]1 827823063 RMOSJUOTGWQRGI-UHFFFAOYSA-N 364.434 2.725 0 50 FFAA O=C(CN1CCOc2ccccc2C1)NC1(c2ccccc2)CCOCC1 952966030 HKVKKUVSEFZVLB-UHFFFAOYSA-N 366.461 2.703 0 50 FFAA CCCOc1ccc(NC(=O)[C@@H]2CCC(=O)N(CCOC)C2)cc1Cl 952975934 PMZFZAVIDHMPEB-CYBMUJFWSA-N 368.861 2.952 0 50 FFAA Cc1cc(C(=O)NCCc2nc(C)no2)c2cnn(C3CCCC3)c2n1 888105559 QRCYJNTYCPZBRS-UHFFFAOYSA-N 354.414 2.519 0 50 FFAA COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCc2cc(F)cc(C)c2C1 407953329 AYOKCMAFKBIUEN-RDJZCZTQSA-N 369.458 2.554 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc(C2CCCC2)no1 271905863 NEPDBDAMDZOTOE-INIZCTEOSA-N 369.421 2.698 0 50 FFAA O=C([C@H](Cc1ccccc1)Nc1cnc2ccccc2n1)N1CCOCC1 185510651 HRGSRGVFMMETGX-IBGZPJMESA-N 362.433 2.512 0 50 FFAA CC[C@@H](Oc1ccccc1F)C(=O)NS(=O)(=O)c1sc(C)nc1C 170652335 NVZRMSBOJFPCOG-GFCCVEGCSA-N 372.443 2.562 0 50 FFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 170640422 JVHRBPARPKDHIS-ZWNOBZJWSA-N 372.494 2.831 0 50 FFAA COc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 170646567 YIRNTRPHZPPNTK-CQSZACIVSA-N 364.442 2.785 0 50 FFAA O=S(=O)(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCCCCC1 170646537 ICIBPTBWZRUMJO-SFHVURJKSA-N 366.483 2.619 0 50 FFAA FC(F)n1ccnc1CN1CCN(c2ncnc3ccsc23)CC1 195163535 AQTACWGDOYENJW-UHFFFAOYSA-N 350.398 2.605 0 50 FFAA COc1ccc(OCCCN2CCC(N3CCSCC3)CC2)cc1 1506401684 JQBQXPFBWNBORC-UHFFFAOYSA-N 350.528 2.977 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)c1cc2c(=O)n3ccccc3nc2s1 1062143 VGCXVRHBCBAHPT-UHFFFAOYSA-N 365.370 2.890 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@@H]12 1704336255 IEODIWJPIBDCTQ-NVXWUHKLSA-N 357.281 2.912 0 50 FFAA COc1ccc(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC 870147 GWXDEDPXCVRAPT-VMPITWQZSA-N 355.390 2.805 0 50 FFAA COc1ccc(CN2CCN(C(=O)Cc3cccc(C)c3)CCC2=O)cc1 11815391 HSRBULMTBCKHCT-UHFFFAOYSA-N 366.461 2.807 0 50 FFAA NC(=O)CCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12093981 GWFHOIOLOISORN-INIZCTEOSA-N 364.445 2.625 0 50 FFAA COCC(=O)N(Cc1ccncc1)Cc1cccc(O[C@H](C)COC)c1 12208152 YTTXOTLFTFCCIL-MRXNPFEDSA-N 358.438 2.671 0 50 FFAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1 15746770 UOUULMHPLZHWPZ-SFQUDFHCSA-N 366.373 2.969 0 50 FFAA Cc1ccc(C)c(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c1 19881889 MLFBMSCZWHSUBW-AWEZNQCLSA-N 356.403 2.821 0 50 FFAA CCOC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 2891909 NYFGOCRVGRGPIK-OAHLLOKOSA-N 368.433 2.939 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669653 INCCQOBKLYXLHI-LAUBAEHRSA-N 353.418 2.950 0 50 FFAA Cc1ccc(CCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(C)c1 1857717681 SNMADBSTBNCMTG-GPQLQYNLSA-N 356.510 2.804 0 50 FFAA CN1CCCC(C)(C)[C@@H]1CNC(=O)CCc1nnc(-c2ccccc2)o1 225731507 GHJLUYDULUZDMY-INIZCTEOSA-N 356.470 2.906 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCCC2)o1 252528109 FCCGJVGEDBVWAT-AWEZNQCLSA-N 370.375 2.914 0 50 FFAA Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C 363350481 YZYHJVAZKLSDLR-MRXNPFEDSA-N 373.522 2.731 0 50 FFAA C[C@@H](C(=O)N1Cc2cc(C(=O)O)nn2C[C@H]1C)c1cn(C)c2ccccc12 908440576 UWJBCCGSNFFWRC-CHWSQXEVSA-N 366.421 2.607 0 50 FFAA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1 925963359 XYDHURUVLVECON-RYQLBKOJSA-N 370.497 2.774 0 50 FFAA CCCC1(O)CCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 952845819 ABNNGUIGMAZWRS-KRWDZBQOSA-N 367.534 2.608 0 50 FFAA O=C1NC[C@@H](Cc2ccc(F)cc2)C(=O)N1Cc1cnn(CC2CCC2)c1 1875290086 QTUOWPSVLIZMGK-QGZVFWFLSA-N 370.428 2.733 0 50 FFAA O=C(N=c1cc(-c2cccnc2)[nH][nH]1)c1ccc2c(c1)nc(O)n2C1CC1 1875331768 BWPLOCMOWFIDLM-UHFFFAOYSA-N 360.377 2.536 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@]1(CNCCOCCO)c1ccccc1 1875340040 JEBLWNKLFSCPNX-FQEVSTJZSA-N 364.486 2.511 0 50 FFAA CC1(C)C[C@@H](O)[C@@H](O)CN(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 1875306516 IZROPTMMUZRPGO-CABCVRRESA-N 363.845 2.874 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2c(Cl)cc(Br)cc2C1 1875380097 FDHULNCONKYVFM-UHFFFAOYSA-N 371.662 2.632 0 50 FFAA CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C[C@@H]2C[C@@]24CCOC4)CC3)o1 1875406910 OSPRMQLCXMWNPI-NWZZKEMCSA-N 358.482 2.948 0 50 FFAA COc1ccc(CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)cc1OC 886091328 TVTDWUIAGFMNJO-LJQANCHMSA-N 371.481 2.814 0 50 FFAA CC(=O)N1C[C@H](Nc2nc(O)c3ccccc3n2)CC[C@@H]1C(F)(F)F 886038310 WCELGSKXQIWNCU-ZWNOBZJWSA-N 354.332 2.689 0 50 FFAA Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCOCC4)cc3C2=O)cc1C 714223 RSEFEVCVSKWLLS-UHFFFAOYSA-N 364.401 2.576 0 50 FFAA Cc1c(Br)cncc1N1C(=O)NC2(CC(C(F)F)C2)C1=O 2325773274 DYSTWOSCCBOIOZ-UHFFFAOYSA-N 360.158 2.623 0 50 FFAA Cc1cc(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n2ncc(C)c2n1 2325775406 CHWSMHJRBIZYDZ-GFCCVEGCSA-N 358.467 2.965 0 50 FFAA CN(Cc1cnc2ccc(Cl)cn12)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 2325782768 DUPSQGYSPRYHEM-JOYOIKCWSA-N 363.817 2.651 0 50 FFAA CC(C)(C)Sc1ccc(-c2noc(C34C5C6C3C3C4C5C63CN)n2)nc1 2325783613 LTKBQHWRSLLWAR-UHFFFAOYSA-N 366.490 2.970 0 50 FFAA Cc1ccc2cc(NC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)cnc2c1 2325784350 WFCUWSONWSADGY-STQMWFEESA-N 351.328 2.796 0 50 FFAA C[C@H]1CN(c2ccncc2)CCN1c1ncnn2cc(Br)cc12 2325802550 NPMYJRKSUARTGX-LBPRGKRZSA-N 373.258 2.602 0 50 FFAA COc1cccc2cc(-c3ccc(N4CC(=O)NCC4=O)c(C)c3)oc12 2325867563 ZWSKJIHCYLBSQN-UHFFFAOYSA-N 350.374 2.880 0 50 FFAA Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCN(C)CC(F)F)cc12 863809003 LHVKBPNYQNEOCI-UHFFFAOYSA-N 373.407 2.656 0 50 FFAA COc1ccccc1NC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 916747 WTLICXMAHZXISR-UHFFFAOYSA-N 374.356 2.538 0 50 FFAA Cc1ccc2oc(C(=O)N3CCC[C@]34CCCN(CCO)C4=O)c(C)c2c1 2356136353 QZJXLFKHKPWJNQ-NRFANRHFSA-N 370.449 2.639 0 50 FFAA C[C@@H]1C(=O)N(CCc2ccccc2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356138405 AJOKCASXKHEBDQ-CYBMUJFWSA-N 362.437 2.692 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@]23CCCN(C)C3=O)cc1 2356144281 PWCXQLCHFWJMLP-FQEVSTJZSA-N 354.454 2.672 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CCC(CN(C)C)(OC)CC1 2356145224 HBHIFEDWKZGYTF-UHFFFAOYSA-N 368.543 2.968 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1 2815159 XUGZORWWUYLLGU-UHFFFAOYSA-N 356.513 2.989 0 50 FFAA COc1cc(N2Cc3ccc(OC)c(OC)c3C2=O)cc(OC)c1OC 2897370 RPFYYCWUMJRXOL-UHFFFAOYSA-N 359.378 2.890 0 50 FFAA CCC[C@@]1(CO)CN(C2CCN(c3ccc(F)c(F)c3)CC2)CC[C@@H]1O 2356167692 YCQCITXBWCHJAG-PMACEKPBSA-N 368.468 2.779 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 110061998 WFSSQFTYXQWVKM-NSHDSACASA-N 360.483 2.613 0 50 FFAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N[C@@H]1CCCc2ccccc21 226784056 GMBHKXZGEZDATC-KZNAEPCWSA-N 352.434 2.522 0 50 FFAA c1cnn(Cc2ccc(CN3C[C@@H]4CC[C@H]3CN(c3cnccn3)C4)cc2)c1 1073379400 XGRZLYXOFKBELH-SFTDATJTSA-N 374.492 2.822 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)NCc3cc(C(C)C)on3)CC2=O)cc1 55413254 KJQSZSDKERVZCT-INIZCTEOSA-N 355.438 2.771 0 50 FFAA Cc1cncc(NC(=O)c2ccc(CN(C)Cc3noc(C)n3)cc2)c1 65375570 NKGQVQABVMOIFN-UHFFFAOYSA-N 351.410 2.966 0 50 FFAA COc1ccc2cc(C(=O)N3CC[C@@](O)(c4ccccc4)C3)n(C)c2c1 65373376 FZJNIQBRLJJTEF-NRFANRHFSA-N 350.418 2.921 0 50 FFAA CCn1c(CC2CCN(C/C(C)=C/c3ccccc3)CC2)nn(C)c1=O 67691471 VFMXZNFANZBFIK-SAPNQHFASA-N 354.498 2.960 0 50 FFAA CC[C@H]1c2nc[nH]c2CCN1Cc1ccc(OC)c(Cn2cncn2)c1 67640968 FMAKQFPPXNLXFE-KRWDZBQOSA-N 352.442 2.568 0 50 FFAA Cc1ccc(C)c(O[C@H](C)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 63833807 HRXFJWPBWOJKFQ-CQSZACIVSA-N 351.406 2.624 0 50 FFAA CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)Nc2c1ccc(N1CCCC1)c2C 67725425 DETGZHVNSJHVAT-AWEZNQCLSA-N 368.437 2.969 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)NC2(CO)CCCC2)no1 67934484 XVRRLLOKYFWESH-UHFFFAOYSA-N 360.410 2.606 0 50 FFAA COc1ncc(NC(=O)N2CCCCC[C@@H]2c2ccco2)cc1C(N)=O 119906581 OEQVHEKOOWNVHG-CQSZACIVSA-N 358.398 2.931 0 50 FFAA Cn1cccc(C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)c1=O 216175636 AXBUOPAPNAXVGU-UHFFFAOYSA-N 365.408 2.805 0 50 FFAA CC[C@H](C)Sc1ncc(CN2CCCN(c3ncccn3)CC2)cn1 216377496 UPZKMBPFPRSWGO-HNNXBMFYSA-N 358.515 2.870 0 50 FFAA C[C@@H]1CCc2n[nH]c(C(=O)N(C)Cc3cc(-c4cccnc4)no3)c2C1 77428553 CMWSGGGYAWURLG-GFCCVEGCSA-N 351.410 2.857 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCN3CCC[C@H](CO)C3)n2n1 72418545 JLURPILCOHDFSC-KRWDZBQOSA-N 365.481 2.821 0 50 FFAA Cc1c(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cnc2ccnn12 72142043 SHIWRENZHPOPBM-INIZCTEOSA-N 367.428 2.571 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1 72441387 RKVHCCHHYDWYCA-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA Cc1nc(-c2c[nH]c(C(=O)NCc3nc(C(F)(F)F)n[nH]3)c2)cs1 482236703 BZSPYXGBYCYSIK-UHFFFAOYSA-N 356.333 2.514 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 12447983 HYWOLMNGVZMGRC-HNNXBMFYSA-N 351.406 2.501 0 50 FFAA CNc1nc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cs1 72171276 AXHQFBKFQIFHLQ-MRXNPFEDSA-N 356.495 2.500 0 50 FFAA CCS[C@H](C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71749181 FINCSDMMKFIMHU-CYBMUJFWSA-N 371.510 2.631 0 50 FFAA O=C(O)c1cccc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)n1 262631469 ONBJDIDFUQSTPH-UHFFFAOYSA-N 353.378 2.545 0 50 FFAA CN1CCN(C(=O)C(C)(C)c2cccs2)C[C@H]1c1nc(C2CC2)no1 370268670 ZETFXUNMLXZIHV-ZDUSSCGKSA-N 360.483 2.801 0 50 FFAA CN1CCC[C@H](CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 77321025 MSAXFIKFSAWNQH-GOSISDBHSA-N 361.505 2.982 0 50 FFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ncn(Cc2ccc(F)cc2Cl)n1 13960180 MRZBFVCOMASKKK-BETUJISGSA-N 362.792 2.799 0 50 FFAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2 221197784 NLIRQRZPKDXHRM-IBGZPJMESA-N 371.872 2.758 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCO1 178280638 LFSNBZBYWSNERJ-FQEVSTJZSA-N 365.429 2.893 0 50 FFAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 175775331 CNAMGCKKGXIKFG-YJBOKZPZSA-N 374.444 2.989 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)C1 82087063 AGTYPNFOHSEANF-LJQANCHMSA-N 358.413 2.727 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)c(C)o1 223741297 WGPWBEKPFKUMDI-IAGOWNOFSA-N 359.378 2.561 0 50 FFAA C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ncc(F)cc1F 82099506 NWTGPEJOECIEGX-SNVBAGLBSA-N 365.767 2.891 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1 82156131 UQNYLCFMDUDZQT-UHFFFAOYSA-N 356.397 2.965 0 50 FFAA CN(C)c1ccc(CCC(=O)N2CCCN(Cc3ccncc3)CC2)cc1 222552020 WBMVJJJCKKFTIK-UHFFFAOYSA-N 366.509 2.815 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1ccncc1)C[C@@H]1CCCO1 515856473 UTZJXFYCXYMSIB-LBPRGKRZSA-N 354.332 2.645 0 50 FFAA Cc1cc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc(N2CCCC2)n1 426490104 LKZQVVIHXOZOMV-SFHVURJKSA-N 366.465 2.961 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1csc2c1CCCC2 426443033 QMCYYMDVMHFJLW-CQSZACIVSA-N 358.511 2.607 0 50 FFAA CCN(CC)[C@@H](CNC(=O)c1cc(C)n2nc(C)cc2n1)c1ccco1 97642117 KSILLKVATKLZKQ-INIZCTEOSA-N 355.442 2.752 0 50 FFAA O=C1CC2(CCN(C3CCOCC3)CC2)CN1Cc1cc(F)cc(F)c1 91876706 GXCCYFZWUPJTCJ-UHFFFAOYSA-N 364.436 2.958 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2c(C)cnn2C2CCCC2)on1 96162482 BHHJYAQVCXVJIF-PBHICJAKSA-N 373.457 2.982 0 50 FFAA Cc1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)[nH]1 91643615 VTGPXNJDXKHGDN-QGZVFWFLSA-N 374.872 2.689 0 50 FFAA Cc1csc(=O)n1CCN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 181297130 XARGBVGCCQEWMV-INIZCTEOSA-N 369.494 2.883 0 50 FFAA Cc1ccc2nc([C@@H](C)NC(=O)C3CCN(C(=O)C4CC4)CC3)[nH]c2c1 91586938 GIEGNJMMSCQSQJ-CYBMUJFWSA-N 354.454 2.697 0 50 FFAA CCn1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)COC3)c2ccccc21 181304590 SFUFRTOXVRGVEL-UHFFFAOYSA-N 370.430 2.810 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(Oc2ccncc2)CC1 244701176 KBPCQYWBTPXORX-FQEVSTJZSA-N 351.450 2.508 0 50 FFAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CC[C@H](Oc2cccc(F)c2)C1 181907970 QMUQVCGZGFRGED-KRWDZBQOSA-N 352.369 2.904 0 50 FFAA Cc1cnccc1CN1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 244690929 IZNILFNYWAIJOH-MXVIHJGJSA-N 371.525 2.898 0 50 FFAA O=C(N[C@H]1CCCOCC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183471408 WTAOWWZEMNJBJQ-LBPRGKRZSA-N 360.380 2.818 0 50 FFAA O=C(CCSCc1ccccc1)N1CCN(C(=O)c2ccc[nH]2)CC1 299766921 DCUFSTHMQWJNSI-UHFFFAOYSA-N 357.479 2.623 0 50 FFAA CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1C 299758489 LQIAUSRPDRAEDB-INIZCTEOSA-N 369.469 2.885 0 50 FFAA Cc1ccsc1CN(CCN(C)C)C(=O)Cn1cc(Cl)c(C)n1 299787737 XMVCXZJKBPDRJV-UHFFFAOYSA-N 354.907 2.805 0 50 FFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCOC2(CCN(C)CC2)C1 649132511 CSAXGLZZGCGKKJ-ZDUSSCGKSA-N 370.852 2.570 0 50 FFAA COCCN1CC[C@@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)C1 824412469 VLZFCCJEPTVCIN-MRXNPFEDSA-N 368.481 2.742 0 50 FFAA C[C@@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccncc2)C1 822355266 YGIQOWHFFXBHLD-BZPMIXESSA-N 353.426 2.534 0 50 FFAA COc1c(N)ccnc1-c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 584891315 PNXACBGNXNHAHH-CQSZACIVSA-N 355.438 2.886 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NCCN2CCCC[C@H]2CO)cc1 670449221 FITRCVWSAMJDJN-IBGZPJMESA-N 368.477 2.939 0 50 FFAA COC(=O)c1cc(-c2cccc(C(=O)N(C)Cc3cnn(C)c3)c2)c(C)[nH]1 584900178 QHOVOCPWQZGXLA-UHFFFAOYSA-N 366.421 2.782 0 50 FFAA O=C(NCCCc1ccco1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 584884514 CIZKMBGKZGFCHX-DLBZAZTESA-N 372.421 2.501 0 50 FFAA CN1Cc2ccccc2C[C@H]1CN(C)S(=O)(=O)Cc1ccc(F)cc1 952981372 SVDOPTUYJAXTFR-IBGZPJMESA-N 362.470 2.644 0 50 FFAA c1ccc(-n2ccnc2)c(CNCc2cnc(NC[C@H]3CCCO3)nc2)c1 952960452 YPUGULYKLPVFGP-GOSISDBHSA-N 364.453 2.543 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc2cc[nH]c2c1 1565510277 WPEMOGADXGYTGR-QAPCUYQASA-N 374.444 2.940 0 50 FFAA CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597309 MZUFDAYSDIHTSP-AWEZNQCLSA-N 352.442 2.659 0 50 FFAA C[C@H](c1nccs1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1 185766796 AFYSRUOWPANIFY-CYBMUJFWSA-N 353.451 2.605 0 50 FFAA COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1COCCN1CC1CCC1 187364923 IDCZTCGKACMFRK-CJNGLKHVSA-N 350.434 2.512 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1CO 189173496 RBKYTHSLUXOIDE-BDAKNGLRSA-N 357.781 2.608 0 50 FFAA CCCn1ccnc1CCCN(C)C(=O)c1cnn(-c2ccc(F)cc2)n1 192250632 DNTDMAVZDJOWRS-UHFFFAOYSA-N 370.432 2.718 0 50 FFAA Cc1nnc(C(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)s1 193754254 GSBLJYOENQMBOG-SNVBAGLBSA-N 352.485 2.814 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1nc(N)nc2c1CCCC2 1506420098 UHTZVLLFOVBLKF-HNNXBMFYSA-N 368.485 2.528 0 50 FFAA CCOCCN1C[C@H]2CN(Cc3cnc[nH]3)C[C@@]2(CCc2ccccc2)C1 1772815984 CAUMRKRSMGOWLR-RBBKRZOGSA-N 368.525 2.813 0 50 FFAA c1ccc(CC[C@]23CNC[C@H]2CN(Cc2nc(-c4ccco4)no2)C3)cc1 1772709761 NFYRIYZZTRITOL-LAUBAEHRSA-N 364.449 2.984 0 50 FFAA O=C(NCCCc1ccncc1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11938643 ZAOMRXRVMXOLRK-GOSISDBHSA-N 369.440 2.708 0 50 FFAA COc1ccc(Cn2cc(C(=O)N(C)Cc3sccc3C)nn2)cc1 12092427 KIGSEECAUKOMKA-UHFFFAOYSA-N 356.451 2.977 0 50 FFAA O=C(CCN1CCCO1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12387400 ZNBPVLQOUPLOLM-NRFANRHFSA-N 360.498 2.638 0 50 FFAA CCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12466750 JKNONSWLGHRMBP-SFHVURJKSA-N 351.397 2.509 0 50 FFAA O=C(CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)N1CCCC1 12469411 NJFUEOXDLVKLKM-INIZCTEOSA-N 372.465 2.713 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)CCc1nnc(CCc2ccccc2)o1 12576083 NWJTTYNQVFHUQT-QGZVFWFLSA-N 357.454 2.815 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(OC)c1OC 19552793 DBZVLLZQEOTRLY-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1cccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1 19565330 KMMIKCKBTJCBSL-UHFFFAOYSA-N 372.465 2.736 0 50 FFAA biogenic CCCn1cc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c(C)n1 19760168 MXHGEBMLUOVYQR-QFIPXVFZSA-N 370.541 2.979 0 50 FFAA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC 2357339 UFULELRRCLMTAE-RNCFNFMXSA-N 370.331 2.660 0 50 FFAA O=C(c1cccc2c1OCCO2)N(Cc1ccncc1)C[C@H]1CCCO1 156282729 HTEWOKPDJMBRRO-MRXNPFEDSA-N 354.406 2.674 0 50 FFAA O=Cc1ccc(OCCOCCOCCOc2ccc(C=O)cc2)cc1 6321981 SJNNZXIPFSRUJB-UHFFFAOYSA-N 358.390 2.803 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@@H]2C(=O)O)c1 212638780 XYLOPKHRTRSQPF-CVEARBPZSA-N 365.389 2.512 0 50 FFAA O=C(Nc1cccnc1OCC(F)F)N1CC[C@@H](Oc2cccnc2)C1 124054594 UOSDWHHJCIEZQD-CYBMUJFWSA-N 364.352 2.806 0 50 FFAA CN(C)C(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4o3)C2)nn1 676686498 MRRMJDFSVGRNIS-ZDUSSCGKSA-N 351.410 2.704 0 50 FFAA CCOc1ccncc1S(=O)(=O)N(C)[C@@H]1C[C@@H](OCC)C12CCCC2 253428379 JKNQCFAPYCIMDW-IAGOWNOFSA-N 368.499 2.839 0 50 FFAA c1ccc(Cn2ccc(CNc3nccc(N[C@@H]4CCCOC4)n3)n2)cc1 804714287 JAHOCVHABORBPO-GOSISDBHSA-N 364.453 2.924 0 50 FFAA CC1(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)CCCCC1 1704327824 HCAPEMYNLBAOJK-LAUBAEHRSA-N 359.466 2.864 0 50 FFAA O=C1N[C@]2(CC[C@@H]3C[C@@H]32)C(=O)N1c1cccc(I)c1 1875290972 KHULPUJWOOJHID-YKHWKNEFSA-N 368.174 2.516 0 50 FFAA CC[C@H](Cc1cn(CCNC(=O)[C@H](CC)CC2CCCC2)nn1)C(=O)O 1875355307 GQFNUWYRBCHOID-HZPDHXFCSA-N 364.490 2.654 0 50 FFAA CO[C@H]1Cc2ccccc2N(C(=O)c2cc(Cn3cccn3)on2)[C@@H]1C 886084626 RVMJIEWOMGUDAU-ACJLOTCBSA-N 352.394 2.526 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnc3c(F)ccc(F)c3c2)C1 888077526 GOTPSGHMVIFNAP-IAQYHMDHSA-N 358.348 2.838 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)c(C)c1 713219 KSDPJGZTNIIMBB-FQEVSTJZSA-N 363.461 2.758 0 50 FFAA COc1ccc([C@@H]2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)cc1O 2049252006 RHKLLNCNCGIVHM-LBPRGKRZSA-N 368.341 2.962 0 50 FFAA COC1(CC(=O)N[C@H](C(=O)O)c2cccc(-c3ccncc3)c2)CCC1 2325802894 CUDPEKOWQALDQI-SFHVURJKSA-N 354.406 2.950 0 50 FFAA CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccn2nccc2n1 2325839996 LGLHRYXWZAQKQW-CYBMUJFWSA-N 367.236 2.912 0 50 FFAA CCC(=O)N1C[C@@H](Nc2ncnc3c2cnn3C(C)(C)C)C2(CCC2)C1 2325867416 VMBUURCXROAZBY-CQSZACIVSA-N 356.474 2.784 0 50 FFAA Cc1cncc(CN(C)CCCN(C)C(=O)c2ccn3ccnc3c2)c1 2325867842 HDXGRZNZGLOAPB-UHFFFAOYSA-N 351.454 2.632 0 50 FFAA Cn1nnnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 882824 NLHABOFCLYANBI-UHFFFAOYSA-N 351.741 2.613 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@]12CCCN(CCOC)C2=O 2356151633 QYLFXQOIQGNMAQ-FQEVSTJZSA-N 359.470 2.884 0 50 FFAA COc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 4993792 ALDAXGSBLKPLSE-UHFFFAOYSA-N 355.467 2.943 0 50 FFAA Cc1cccc(Oc2ccccc2C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1 412425596 BTFJGIMZFZBPEP-AZUAARDMSA-N 352.434 2.942 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225408125 PFLZORCMAXJIOA-IAQYHMDHSA-N 353.344 2.695 0 50 FFAA Cc1cc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)no1 225406449 CUTFDQPXCLWISW-SWLSCSKDSA-N 354.328 2.879 0 50 FFAA CCCc1nn2c(=O)cc(CSCC(=O)Nc3ccccc3)nc2s1 9526560 FQICMPUTFJIAIZ-UHFFFAOYSA-N 374.491 2.975 0 50 FFAA C[C@@H](Nc1ccc(NC(=O)c2nc(O)nc(O)c2N)cc1)c1ccccc1 461993792 VKANULAWBKRGJV-LLVKDONJSA-N 365.393 2.895 0 50 FFAA COc1cc(O)ccc1CN1CCN(Cc2ccc(C)cc2)[C@H](CCO)C1 104484522 YMVQWNOVZYFRPX-HXUWFJFHSA-N 370.493 2.778 0 50 FFAA CCn1nc2c(c1C)[C@@H](c1cc(Cn3cncn3)c(C)cc1C)CC(=O)N2 65509059 XZWXEQHGHLJJBF-QGZVFWFLSA-N 364.453 2.942 0 50 FFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)N[C@H](C)c1ccn(C)n1)C2 420865310 VQZXVQOACNZYQV-CYBMUJFWSA-N 358.442 2.873 0 50 FFAA O=C(Nc1cccnc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20455493 SHZBTDHZAHREDZ-UHFFFAOYSA-N 359.451 2.650 0 50 FFAA CC(C)c1nc(Cc2nc3c([nH]2)C[C@H](c2ccc(F)cc2)CNC3=O)no1 67967688 HVRSASHJDMIIIY-LBPRGKRZSA-N 369.400 2.716 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1nnc(-c2ccccc2)o1 65375426 SIDGXOUQYKZZGB-AWEZNQCLSA-N 361.405 2.625 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@H](C)Cc3ncccc3C)CCNCC2)cc1 65453284 VGWYTHHWDRDWBL-GOSISDBHSA-N 367.493 2.947 0 50 FFAA O=C(c1cccs1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 67804161 RFFFHEDLRROGEZ-LSDHHAIUSA-N 360.410 2.775 0 50 FFAA CCN(CCN(C)C)C(=O)c1cc(COc2ccc(F)cc2F)on1 67642125 SYQBLQJSRUMUBC-UHFFFAOYSA-N 353.369 2.556 0 50 FFAA COc1ccc(CC(=O)N2Cc3cnc(CC(C)C)nc3C2)c(OC)c1 67674932 FMOCZWDOZQMCHG-UHFFFAOYSA-N 355.438 2.777 0 50 FFAA C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CF 31996636 MYHOAFKYKANCBW-LRIWQSHXSA-N 364.457 2.759 0 50 FFAA Cc1nc(-c2ccc(CCNC(=O)c3ccc(=O)n(C)c3)s2)cs1 120335847 PBOUZSCJWGBEBU-UHFFFAOYSA-N 359.476 2.851 0 50 FFAA CCc1nnc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)s1 72481561 IZCRQZBZPRFHLN-IBGZPJMESA-N 371.510 2.905 0 50 FFAA CCc1c(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)[nH]c2ccccc12 72144257 AAFQOAOQPSDQCU-KRWDZBQOSA-N 369.465 2.741 0 50 FFAA CNc1ncccc1C(=O)N1CCC[C@H](Nc2ccc(OC)c(OC)c2)C1 72165893 GYIMMYRNSZPAQQ-HNNXBMFYSA-N 370.453 2.857 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 172434012 UAOPNWBYBWJZEB-QGZVFWFLSA-N 362.495 2.659 0 50 FFAA Cc1cc(C(=O)NC2CCN(Cc3nsc4ccccc34)CC2)no1 1327519856 ODQLHVDFSHTBHP-UHFFFAOYSA-N 356.451 2.987 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)cc1O 77375440 XZCJFZJTJJFMDG-LBPRGKRZSA-N 374.824 2.932 0 50 FFAA COCCS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)cc1 172781451 NOPJGDPUUZEXMG-HNNXBMFYSA-N 373.474 2.694 0 50 FFAA Cc1n[nH]cc1C1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)CC1 375394769 VMYALKDAUGUIMK-MRXNPFEDSA-N 354.454 2.819 0 50 FFAA CCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1)C(C)C 72157781 ZTCZRUVDRGADQR-LJQANCHMSA-N 359.514 2.723 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)CCc3cc(O)no3)C2)c1 72435967 ONOSKTZYHPAXJB-AWEZNQCLSA-N 360.410 2.639 0 50 FFAA COc1ccc(CCNC[C@H](O)CO[C@@H]2CCC[C@@H](C)C2)cc1OC 216005468 XHPABNBFRSDROL-BPQIPLTHSA-N 351.487 2.792 0 50 FFAA Cc1noc([C@@H]2CCCN2Cc2ccc(OCCn3ccnc3)cc2)n1 215414211 BHGDSTSYBXSMSZ-SFHVURJKSA-N 353.426 2.991 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NC1(c2ccccc2)CC1 72480424 CYGDPRSOAMAUJK-LJQANCHMSA-N 355.526 2.988 0 50 FFAA O=C(CCNC(=O)c1ccc(F)cc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219860082 UOLXNKJHGSIYDG-RNQOJCNYSA-N 374.456 2.656 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)C(=O)c1ccccc1 77488484 NOIVNCCADOHKKN-ZDUSSCGKSA-N 356.809 2.787 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 238015953 UYWQRDVXUKKWFN-TZMCWYRMSA-N 351.830 2.995 0 50 FFAA COc1cc(NC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)ccn1 287544151 CHOLPROIYAMJDR-UHFFFAOYSA-N 360.458 2.593 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(CN2CCCC2)cc1 222720689 UZBYFORXWPYJNS-SFHVURJKSA-N 359.470 2.520 0 50 FFAA C[C@H](NC(=O)c1ccc(N(C)CCO)cc1)c1ccccc1-n1cccn1 221153858 SAEZRTNUVWOBNY-INIZCTEOSA-N 364.449 2.792 0 50 FFAA CSCCC(=O)N1CCCC[C@H](NC(=O)NCc2ccc(C)cc2)C1 82115507 DKMKSOVZEDUNAO-KRWDZBQOSA-N 363.527 2.928 0 50 FFAA Cc1cccc2nc([C@@H]3CCCN3C(=O)NCCSc3nc[nH]n3)[nH]c12 426376377 NBRRXRYOAAULPZ-ZDUSSCGKSA-N 371.470 2.628 0 50 FFAA OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)c(F)c1 85538294 DQXSLYQOEKQPJB-QGZVFWFLSA-N 362.420 2.739 0 50 FFAA CC(C)Cc1cc(CNC(=O)Nc2cc(-c3cccnc3)nn2C)no1 95511898 UWSDFMDSZQXQOS-UHFFFAOYSA-N 354.414 2.990 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n(Cc2ccccc2)n1 96132998 FXUJAVIVXHUHHD-GOSISDBHSA-N 354.454 2.520 0 50 FFAA COc1ccc(NC(=O)NCCSC2CCCCC2)cc1C(N)=O 426596683 XQQSHVPIPHHANA-UHFFFAOYSA-N 351.472 2.982 0 50 FFAA CCOCCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95386163 NAVOQDWSXORHML-MISYRCLQSA-N 364.436 2.780 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1CO 91596040 LRUJWMVVIOYHQH-RTBURBONSA-N 356.441 2.735 0 50 FFAA Cc1ccc(OCCN)c(C(=O)N(C)Cc2cccc(-n3cccn3)c2)c1 426471375 NHIXORKIIUUHAL-UHFFFAOYSA-N 364.449 2.790 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 95381119 KCGOKYFKVNTCND-QGZVFWFLSA-N 360.502 2.792 0 50 FFAA CC1(C)SC[C@@H](C(=O)NCCSCc2cccc(Cl)c2)NC1=O 97636627 JBDFFUUHCLQTGV-ZDUSSCGKSA-N 372.943 2.700 0 50 FFAA COc1cccc([C@@H](C)NC(=O)c2nccnc2C(=O)N2CCCCC2)c1 97402368 QRCMFMOXKZYHMT-CQSZACIVSA-N 368.437 2.602 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2nc(C)n3ccccc23)C[C@H]1C(=O)O 91650530 CAHIYMCWPVOOBQ-DLBZAZTESA-N 365.433 2.952 0 50 FFAA COc1cc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)ncn1 91663778 FVULRBMUVXDVLJ-MRXNPFEDSA-N 350.426 2.509 0 50 FFAA CN1C[C@H]2CN(Cc3ccccc3OCc3ccccc3)C[C@@]2(C(=O)O)C1 96180581 CBKSDDMIVDFDSI-UGKGYDQZSA-N 366.461 2.714 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCOC3)C2)c1OCCn1ccnc1 95384352 TZCCABRZZWQQFM-NRFANRHFSA-N 371.481 2.973 0 50 FFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)Cc1ccccn1)CC2 95381468 MUPCRRBZWOENQY-IBGZPJMESA-N 363.461 2.631 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(Cc4ccncc4)C3)CC2)c1 97527794 NPQCIOXNWBZIOA-IBGZPJMESA-N 363.461 2.630 0 50 FFAA COc1ccccc1Cc1nc([C@@H]2CNC(=O)C2)n(-c2ccccc2F)n1 96163438 BKEUBGZHOPIOJS-AWEZNQCLSA-N 366.396 2.609 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)[C@@H]2CCCC[C@@H]12 248445187 WHYUTTJOXSSCRM-FHLIZLRMSA-N 362.495 2.877 0 50 FFAA CS(=O)(=O)c1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 298307212 GFRMWQVACDWYER-LJQANCHMSA-N 373.474 2.676 0 50 FFAA CC(=O)O[C@@H]1C[C@H]2[C@H](CC[C@@]3(C)C(=O)CC[C@@H]23)[C@]2(C)CCC(=O)C[C@]12O 257350586 YPNLDFGCFUFMAG-SJIZYOMUSA-N 362.466 2.824 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3ccc4[nH]nnc4c3)CC2)o1 299780598 ARILFSGFQURWEJ-UHFFFAOYSA-N 353.426 2.501 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)[C@H](O)c1cccc(Cl)c1 299800969 UGHGMYHYEAESLP-GOSISDBHSA-N 359.857 2.549 0 50 FFAA CC[C@@H](NC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1cccnc1 299766766 LCHJSFCXIHYJTC-QGZVFWFLSA-N 356.426 2.731 0 50 FFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3noc(C4CC4)n3)c2)o1 825281539 AFHPIEQWJJJCQZ-UHFFFAOYSA-N 374.422 2.697 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2F)cc1OC 952979159 HJVBHDPTWATUJV-UHFFFAOYSA-N 362.357 2.680 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N3CCCC3)c2c1 1565512199 RNUZYWZIDKXEGE-ZFCZOSEKSA-N 365.477 2.833 0 50 FFAA O=C(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1cnc(O)c(Cl)c1 1565512943 YMZQHUYEHHRYNI-YALNPMBYSA-N 358.825 2.817 0 50 FFAA Cc1cc2c(NC[C@@H](c3ccccn3)N3CCOCC3)ncnc2s1 952970003 DNDXCXOBBJVNBP-INIZCTEOSA-N 355.467 2.880 0 50 FFAA COCc1nc2n(n1)C[C@@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2 268194454 NNBRECLHVLHYKE-AWEZNQCLSA-N 372.444 2.507 0 50 FFAA CNS(=O)(=O)c1ccc(NC(=O)NC2(c3ccccc3)CCCC2)nc1 190638577 IBTZVAJDSOGTIF-UHFFFAOYSA-N 374.466 2.581 0 50 FFAA COc1ccccc1N1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 194912232 SPJUCDZMXLDAME-UHFFFAOYSA-N 360.845 2.923 0 50 FFAA COc1ccc(N2C[C@@H](NC(=O)c3nc4c(s3)CCCC4)CC2=O)cc1 1506402516 JBPJHBDJRAIVKO-LBPRGKRZSA-N 371.462 2.566 0 50 FFAA Cn1nc(C(=O)N2CCCN(Cc3ccsc3)CC2)c2ccccc21 1529103871 GRYMMXDNVIKZIQ-UHFFFAOYSA-N 354.479 2.983 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc4ccccc4n3C(C)C)C[C@@H]2O)n[nH]1 1529191914 JEDISJAHDILFSZ-BEFAXECRSA-N 353.470 2.684 0 50 FFAA Cc1nc(N2CCCC2)nc(NCC2(N3CCN(C)CC3)CCCC2)c1C 1529101305 BZXMLNBPOINQBB-UHFFFAOYSA-N 372.561 2.666 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)Cc3ccc(Cn4cccn4)cc3)C[C@@H]2CC1=O 1704304322 QBFHTAKONLNXBP-HSALFYBXSA-N 352.482 2.620 0 50 FFAA O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800410459 UFXUAJIMPIADNG-YXYSEUPNSA-N 351.446 2.948 0 50 FFAA COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 1114721 PFMVEDZVZKMKHB-HNNXBMFYSA-N 358.413 2.950 0 50 FFAA CCc1noc(CN2CCCN(C(=O)c3ccc(F)cc3Cl)CC2)n1 1772711768 WXCGQSQQZRYQMQ-UHFFFAOYSA-N 366.824 2.773 0 50 FFAA COCCNC(=O)c1sc2ncnc(NCc3cccc(C)n3)c2c1C 11979789 GFFKITWPWUTOGZ-UHFFFAOYSA-N 371.466 2.691 0 50 FFAA O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1nccs1 12296672 CCYBKPXSLAORIS-UHFFFAOYSA-N 369.450 2.721 0 50 FFAA biogenic O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)[C@H]1CCOC1 12587051 ARXDZIIEZFGXRT-INIZCTEOSA-N 372.469 2.522 0 50 FFAA O=S(=O)(c1ccccc1Cl)N1CCO[C@@H](Cc2ccccc2)C1 12713502 LXNIWCAGCALQPD-HNNXBMFYSA-N 351.855 2.972 0 50 FFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)C1 13745575 UIPNORYSJAPVNE-CQSZACIVSA-N 359.451 2.755 0 50 FFAA CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C(C)C)CC2 14753101 NLLPOEDCDVNXAS-UHFFFAOYSA-N 355.482 2.681 0 50 FFAA COc1cccc(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)c1 14961998 CFINMAUFIXOZSL-SFHVURJKSA-N 352.434 2.659 0 50 FFAA O=C(NCCc1cscn1)c1coc(Cn2cnc3ccccc32)n1 15068961 OZNDMZZCWBOEHG-UHFFFAOYSA-N 353.407 2.502 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 921340 IYCLSQIPWSQNIF-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA O=C1CCOC2(CCN(Cc3ccc(-c4ccccn4)cc3)CC2)CN1 1857710870 VBWFWLKKGSFWGG-UHFFFAOYSA-N 351.450 2.620 0 50 FFAA CC[C@@H](C)C(=O)N1CCC(C2CCN(c3nccnc3OC)CC2)CC1 1857738818 ZQFLOBVFDDQELE-OAHLLOKOSA-N 360.502 2.986 0 50 FFAA Cc1nc2cc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)ccc2s1 1875246598 RYFAIGRRIUKNOT-UHFFFAOYSA-N 373.503 2.866 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 122743245 DBUPVBCRYQFTNT-QWRGUYRKSA-N 353.300 2.729 0 50 FFAA CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H](CCC(=O)O)C2)n1 236662274 ULVCZHMHCXNHRQ-CYBMUJFWSA-N 351.447 2.793 0 50 FFAA C[C@@H](N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1cc2ccccc2o1 240454743 FYKIRXDCHDIKBX-ZBFHGGJFSA-N 352.438 2.846 0 50 FFAA C[C@@H](Cc1ccc(F)cc1)N1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 14994361 YBLODXZKNXDJLN-AWEZNQCLSA-N 371.460 2.578 0 50 FFAA O=C(CN1CCOC2(CCOCC2)C1)N[C@H](c1ccccc1)C1CCCC1 135596688 MNPROXVWIATPQG-OAQYLSRUSA-N 372.509 2.916 0 50 FFAA Cc1c(C(=O)N2CCCC2)cccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 252516592 UTCXOPQOMMHXDQ-LBTBCDHLSA-N 350.418 2.543 0 50 FFAA COc1cc(F)c(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc1OC 1704308485 RWTNUCCRKLJCGJ-SFHVURJKSA-N 353.434 2.739 0 50 FFAA C[C@H](c1ccccc1F)S(=O)(=O)NC(=O)C[C@H]1OCc2ccccc21 873564331 QRCGTXHWLICXII-SJKOYZFVSA-N 363.410 2.994 0 50 FFAA CC1(C)SCCN2C(=O)N([C@@H]3CC[C@H]4SCCS[C@H]43)C(=O)[C@H]21 1875356534 PPASPOOLDMULLY-WYUUTHIRSA-N 358.554 2.524 0 50 FFAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)COc2cc(C)ccc2C)C1 1875396056 UNHDCQMMPGFGOM-KBMIEXCESA-N 364.511 2.935 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(c4ccc(F)cc4)CC3)n[nH]c21 1875394614 PIJNYCBSSCSQLF-KGLIPLIRSA-N 372.444 2.924 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5CCC[C@]6(C=Cc7ccccc7O6)C5)[C@H]1[C@H]3[C@@H]42 887790953 XWLPFMGQXOYUEA-GMGSYRSRSA-N 373.452 2.780 0 50 FFAA COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 4090825 WRBSYGJAGIIMKC-IBGZPJMESA-N 363.417 2.641 0 50 FFAA biogenic Cc1ccc([C@@H]2CCCC[C@@H]2C(=O)N[C@H](Cc2cnn(C)c2)C(=O)O)cc1 2325802873 BYXPMFSNIXOLHK-GBESFXJTSA-N 369.465 2.814 0 50 FFAA COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 754339 TWSTVZBEFBQGQE-WMZOPIPTSA-N 352.390 2.873 0 50 FFAA biogenic Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 811627 PQDKVOGGOLWGRX-KRWDZBQOSA-N 372.446 2.759 0 50 FFAA biogenic,in-vitro O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1144826 SALKLJFXMKSFRR-UHFFFAOYSA-N 365.842 2.772 0 50 FFAA COc1ccc(-c2onc(N3CCC[C@]4(CCNC4)C3)c2C(=O)O)cc1 2356136443 UXKXALPJDWIUJA-LJQANCHMSA-N 357.410 2.628 0 50 FFAA CCn1nc(CC(C)C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 2356137940 BDKZCLLMRLZLLK-MOPGFXCFSA-N 369.469 2.695 0 50 FFAA O=C(c1cc2c(nc1O)CCCC2)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356157060 CNXRIOXUQWIFSQ-FQEVSTJZSA-N 352.438 2.509 0 50 FFAA COc1ccc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC 3909313 MAUJBUWKKPHCKN-UHFFFAOYSA-N 369.465 2.984 0 50 FFAA CN(C(=O)CCNC(=O)c1ccc(F)cc1)[C@H](c1ccccn1)C1CC1 55413356 UAGGZOLMZYCENW-IBGZPJMESA-N 355.413 2.950 0 50 FFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 55036761 VKBZXZSWLQCRMV-IBGZPJMESA-N 371.525 2.998 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 101460782 WJXCEOWPDQWNCA-ONIAQPFYSA-N 370.449 2.998 0 50 FFAA C[C@@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 170620105 UHXFQZPYTDBUEI-HXUWFJFHSA-N 362.364 2.925 0 50 FFAA Cc1cccc(CN2CCN(CCn3c(=O)oc4ccccc43)CC2)c1 26904486 PUVXXPATKLGQQH-UHFFFAOYSA-N 351.450 2.721 0 50 FFAA NC(=O)c1cncc(NCc2cccnc2Oc2ccc(F)c(F)c2)n1 67757630 OCDNMHJMAOTVQC-UHFFFAOYSA-N 357.320 2.653 0 50 FFAA COc1cc(CN2CCN(CC(C)C)[C@@H](CCO)C2)cc(Cl)c1O 20513390 NAPHTFCSQSXAHK-HNNXBMFYSA-N 356.894 2.579 0 50 FFAA O=C1C[C@H](c2ccc3c(c2)OCCO3)c2sc(N3CCCC3)nc2CN1 65461562 LZHFTCIEGCBZCR-CYBMUJFWSA-N 371.462 2.666 0 50 FFAA CCc1ccc2oc(=O)cc(CN3Cc4ccccc4C[C@@H]3C(N)=O)c2c1 65387419 RSDIAZZQONMLSI-LJQANCHMSA-N 362.429 2.768 0 50 FFAA Cc1cc(C(=O)NC[C@H]2COc3ccccc3C2)c2c(C)nn(C)c2n1 25042134 RPBZZUARUCHZBR-AWEZNQCLSA-N 350.422 2.566 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(Cc2ccc(Sc3nncn3C)o2)C1 65406659 XLZXKUNOQZSLDT-LJQANCHMSA-N 370.478 2.961 0 50 FFAA CN(Cc1ccco1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67851400 ZJGGOVAGOGNREN-OAQYLSRUSA-N 356.466 2.698 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)no1 67872875 FUJBYTYJEVWWPD-KRWDZBQOSA-N 357.454 2.948 0 50 FFAA Cc1cccc(-c2nc(N)nc3c2CN(C(=O)c2ccc(CO)o2)[C@H]3C)c1 67818326 KOGLYPOPPZNACF-LBPRGKRZSA-N 364.405 2.837 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cnoc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72150485 KSPJLULKLQAYBF-VAMGGRTRSA-N 351.450 2.994 0 50 FFAA CC(C)N(C)S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 241126043 JJCQCOGCURTRTH-HNNXBMFYSA-N 354.472 2.570 0 50 FFAA CN(C)CCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72470038 HNWIDLTUXBEGQN-UHFFFAOYSA-N 359.905 2.773 0 50 FFAA Cc1cccc(SC2CCN(C(=O)Cc3cnc(C)[nH]c3=O)CC2)c1 77297827 KCFTWJUBPZYZOT-UHFFFAOYSA-N 357.479 2.713 0 50 FFAA O=C(NCCc1noc(-c2ccccc2)n1)c1cccc(-n2cccn2)c1 77357341 SZXMUINOFJEKIT-UHFFFAOYSA-N 359.389 2.895 0 50 FFAA CCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C 72153540 BBLFVXOYARNQJE-SFHVURJKSA-N 363.477 2.553 0 50 FFAA Cc1ccccc1-n1cc(CN2CC[C@@H](OCc3c(C)noc3C)C2)nn1 370730988 SCEWZHBTUQRGNT-GOSISDBHSA-N 367.453 2.972 0 50 FFAA CC[C@H](Nc1nc(N(C)C)nc2c1CCN(C(C)=O)C2)c1cc(C)ccn1 71712080 ATCCPLKQGYEGAX-INIZCTEOSA-N 368.485 2.714 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCOC1)c1ccc(Br)cc1 299742082 GTNTZGAZHPDWIT-GWCFXTLKSA-N 356.216 2.508 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2nc(CCOC)no2)C1 72145845 STEITHGJKZZDEG-GFCCVEGCSA-N 367.881 2.587 0 50 FFAA Cc1nc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc2nncn12 334061485 YSJXCBQCZCZYFC-GFCCVEGCSA-N 355.364 2.618 0 50 FFAA Clc1ccc(COCCn2ccnc2-c2cc3n(n2)CCNC3)cc1 72468908 LYSAXVNQMMPYOG-UHFFFAOYSA-N 357.845 2.720 0 50 FFAA C[C@H](C1CCN(Cc2c[nH]c(CC3CCCC3)n2)CC1)N1CCN(C)CC1 77453433 XFTOIVCRMRXTQO-GOSISDBHSA-N 373.589 2.990 0 50 FFAA O=C(O[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 240894802 IQAOMJSEUPHINI-CLROSIBMSA-N 367.442 2.711 0 50 FFAA O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@@H]1c2ccccc2C[C@@H]1O 175669315 BLXMQNONGCSBQV-ZYSHUDEJSA-N 371.868 2.876 0 50 FFAA COC1(c2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)CCCCC1 288843613 DJMQZHBIHCSLLW-SFHVURJKSA-N 370.409 2.597 0 50 FFAA O=c1c2c3c(sc2[nH]c(=S)n1CCN1CCOCC1)CCCCC3 17075153 OFLVRVZZRGMPPF-UHFFFAOYSA-N 365.524 2.722 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)NCc1nncn1C1CCCCC1 426545016 JZXIJILOXGPVAD-UHFFFAOYSA-N 359.478 2.731 0 50 FFAA Cc1sc(-n2cccc2)c(C(=O)N2CCOC[C@H](CN(C)C)C2)c1C 426651188 CKPBJJBWZHKCNK-MRXNPFEDSA-N 361.511 2.806 0 50 FFAA Cc1noc(C)c1CCCNC(=O)Nc1ccccc1CC(=O)N(C)C 84877209 NTCGQPKXLSWRNQ-UHFFFAOYSA-N 358.442 2.676 0 50 FFAA COc1ccccc1CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 426707427 LZIVIXKTWIZKMT-QFIPXVFZSA-N 370.493 2.879 0 50 FFAA Cc1cccc2nc(CCNC(=O)N(C)Cc3n[nH]c4c3CCCC4)[nH]c12 426589748 IRMSYFJLPSEEKO-UHFFFAOYSA-N 366.469 2.857 0 50 FFAA Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2 221197730 NLIRQRZPKDXHRM-LJQANCHMSA-N 371.872 2.758 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 95372785 NZRHJJKTIDYTKO-INIZCTEOSA-N 362.433 2.600 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1C 92098919 BVAWTUVTDYYEKG-JOCHJYFZSA-N 370.493 2.933 0 50 FFAA CCn1nc(C2CCOCC2)nc1[C@H](c1ccc2c(c1)OCO2)N(C)C 96138116 ZKSAFKMOUWHGRU-KRWDZBQOSA-N 358.442 2.572 0 50 FFAA CCNC(=O)CCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 95372338 ZKBXFUUHVAPFIO-LJQANCHMSA-N 371.525 2.631 0 50 FFAA O=C(NCc1ccccc1-n1cncn1)c1c[nH]nc1-c1cccc(F)c1 91873386 BKUXEIWMROFGMK-UHFFFAOYSA-N 362.368 2.727 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NC3CCCCCC3)C2)cc1 91391347 KFWAYTODQLIGLZ-SJORKVTESA-N 357.498 2.998 0 50 FFAA CCc1nc(CN(C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2C)no1 96130697 WDCGPVZHETZCTN-UHFFFAOYSA-N 373.457 2.990 0 50 FFAA CC[C@@H](NC(=O)N1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1F 267628976 PZQTUYQMGONQBV-IAGOWNOFSA-N 364.396 2.933 0 50 FFAA CSCC[C@@H](O)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 95496641 KNXSILJOGGEQTL-GOSISDBHSA-N 373.522 2.751 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)COCc2nc3ccccc3[nH]2)n1 91738124 XDWVQVNOZFYOPW-OAHLLOKOSA-N 369.425 2.950 0 50 FFAA Cc1ccc2ncccc2c1CNC(=O)C1CCN(C(=O)C2CC2)CC1 95391978 XZRDTHPMDUSMIM-UHFFFAOYSA-N 351.450 2.808 0 50 FFAA Cc1nc(C)c2c(n1)O[C@@H](CN(C)Cc1cc(-c3cccs3)n[nH]1)C2 244734959 NQOGTYUBEVVYKA-CQSZACIVSA-N 355.467 2.981 0 50 FFAA Cc1nc(O)c2c(n1)CN(C(=O)[C@H](C)Oc1ccc(F)cc1Cl)C2 299781059 CYQOIZKAJXICLE-QMMMGPOBSA-N 351.765 2.593 0 50 FFAA CCOc1ccc(CN2CC[C@@H](Nc3ncccn3)[C@H](O)C2)cc1Cl 299766326 IODLTJRCLLUIHA-HZPDHXFCSA-N 362.861 2.576 0 50 FFAA C[C@@H](NC(=O)c1cccc(C2=CCCS2(=O)=O)c1)c1nc(C2CC2)no1 299756001 AJFVLWVHUQYCDN-LLVKDONJSA-N 373.434 2.597 0 50 FFAA C[C@H]1CCCN(CCOc2ccccc2CN(C)Cc2nncn2C)C1 823719872 TYWWONPWZUSWQU-KRWDZBQOSA-N 357.502 2.558 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N(C)CCCn1nc(C)cc1C 823118796 DMHQAROEOATNHN-HXUWFJFHSA-N 354.498 2.795 0 50 FFAA Cc1cc(N2CCN(C(=O)NCCCN3CCC[C@@H](C)C3)CC2)cc(C)n1 822413197 UEGXIXZAFMIAHU-QGZVFWFLSA-N 373.545 2.652 0 50 FFAA COc1cccc2c1OCC(CN1CCC(N3CCSCC3)CC1)=C2 670473399 YOEANFUQEXSKAA-UHFFFAOYSA-N 360.523 2.984 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CC[C@H]1O 1529153335 AOXVVKHNSVGIJY-VQTJNVASSA-N 355.434 2.576 0 50 FFAA CCCNc1ncc(CN2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)cn1 1565506967 FNMRZHZXLUHGTL-MSOLQXFVSA-N 354.454 2.907 0 50 FFAA Cc1ccc(CC(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)cc1C 952972966 AXCCZUFBJXUQID-CQSZACIVSA-N 351.406 2.929 0 50 FFAA CC[C@H](Cc1ccc(OC)c(OC)c1)N[C@H]1CCO[C@@H]1c1nccn1C 275479555 IHUJGWMFGIWZQT-GJYPPUQNSA-N 359.470 2.878 0 50 FFAA CNC(=O)c1ccn([C@H]2CCCN([C@H](C)c3nc4ccccc4o3)C2)n1 276043032 SHNLLCYNLZYTHA-KGLIPLIRSA-N 353.426 2.782 0 50 FFAA NC(=O)C1(C(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)CC1 170639064 AKIVRNPJCNKXMM-UHFFFAOYSA-N 371.264 2.876 0 50 FFAA Cc1ccc2cc(CN3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)c(O)nc2c1 1529195721 OFQJSLCFLUZYCL-NQIIRXRSSA-N 369.465 2.620 0 50 FFAA O=C1O[C@H]2CN(Cc3cccnc3)C[C@H]2N1CCc1cccc(Cl)c1 209424062 DXDACTDTUVNBPD-MSOLQXFVSA-N 357.841 2.983 0 50 FFAA Cc1ccc(C)c(CN2CCCN(C(=O)CCCN3CCCC3=O)CC2)c1 1529146179 WTXFQLRZQWYNJR-UHFFFAOYSA-N 371.525 2.740 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C)cc2)cc1OC 1529181255 QJZATWXTZOFYQY-WOJBJXKFSA-N 371.433 2.587 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cccnc3)CC1)OCC2 1704298574 JLQZKWFYQHZFLI-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Br 1125586 DRZBVZCNOQTXRI-UHFFFAOYSA-N 358.195 2.798 0 50 FFAA CC(C)(CCC(=O)O)NS(=O)(=O)c1ccc(Br)c(F)c1 230275727 ZPXHCGUFUILJCY-UHFFFAOYSA-N 368.224 2.510 0 50 FFAA CCn1ccc(CN2CCCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 1772813578 IIILQPBSNRGSTC-UHFFFAOYSA-N 360.889 2.833 0 50 FFAA CN(C(=O)c1cc(COc2cccc3cnccc23)on1)[C@H]1CCOC1 11717239 BOZYIOYOXWSLCB-AWEZNQCLSA-N 353.378 2.663 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@@H](O)C1)c1cc2sccc2[nH]1 11952212 CTSGCHJSRZXJOV-CYBMUJFWSA-N 356.451 2.516 0 50 FFAA COCc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)o1 19335864 YRUQVUXCETYVBB-SFHVURJKSA-N 374.481 2.503 0 50 FFAA Cc1ccc(N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1Cl 2884320 JDZUVFBVAMBPEP-UHFFFAOYSA-N 371.934 2.891 0 50 FFAA O=C(N[C@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1ccccc1 1456858 TUFJJMZOOJYONR-HXUWFJFHSA-N 359.429 2.739 0 50 FFAA COCCC[C@@]1(CO)CN(Cc2ccccc2C(F)(F)F)CC[C@H]1O 1857722646 LIZFNSUGMKHNQW-SJORKVTESA-N 361.404 2.677 0 50 FFAA CNC[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 237317238 NMQPSCAWICKQEA-SNVBAGLBSA-N 370.824 2.979 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1420803 CJVIYWXADATNKP-GOSISDBHSA-N 353.374 2.721 0 50 FFAA in-vitro O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H]1CCn2ccnc2C1 328621237 HPIPIAVVOQLAKO-LBPRGKRZSA-N 373.400 2.584 0 50 FFAA C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cnc(C3CCCC3)s2)CC1 123309134 SPNHONMJXDMOLD-AWEZNQCLSA-N 362.543 2.585 0 50 FFAA Cc1cc2ncc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)O)c(C)n2n1 262544428 VPRSZWIAUXAALY-PXAZEXFGSA-N 352.394 2.538 0 50 FFAA Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 266787733 BXAXPGPNODWRGL-IBGZPJMESA-N 354.498 2.702 0 50 FFAA CC[C@@H]1CCc2nc(O)c(C(=O)NCc3cn4ccccc4n3)cc2C1 929377872 LUPQDFMPMNWEGX-CYBMUJFWSA-N 350.422 2.880 0 50 FFAA CC(C)C[N@@]1C[C@@H]1COc1ccc(CCO)cc1-n1nc2ccccc2n1 1875385338 RAHRHNPBQIMEBD-OSPHWJPCSA-N 366.465 2.674 0 50 FFAA CCOc1cccc(CNC(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)c1 1875393788 STPAKUPZEFDZNW-BVZFJXPGSA-N 365.499 2.970 0 50 FFAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N[C@H]1CCC2(C1)OCCO2 1875318641 JZYMOBHKZDJVOZ-NSHDSACASA-N 374.363 2.740 0 50 FFAA O=C(N[C@@H]1CCC[C@@H]1C1CCCC1)C(=O)N1CCC(c2ccncn2)CC1 1875307616 GEYHPNOHYNKUIR-IEBWSBKVSA-N 370.497 2.658 0 50 FFAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2cc3ccccc3c(O)n2)C1 1875395631 HELKUAMACBBWIZ-NIYFSFCBSA-N 373.478 2.807 0 50 FFAA COc1ccc2c(c1)CC[C@@]2(O)CNC(=O)N[C@@H]1CCc2c(O)cccc21 1875303620 FVDCFWZXWZIMTN-WIYYLYMNSA-N 368.433 2.521 0 50 FFAA C[C@]1(CC(=O)N[C@@H]2[C@@H](CNc3ncccn3)CCC23CCC3)CCCO1 1875406262 ALVSJZGMWCYDFN-SZVBFZGTSA-N 358.486 2.913 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1cnn(-c2ccc(F)cc2)c1 886048156 BMFQWFWACKOAOA-RBUKOAKNSA-N 355.417 2.673 0 50 FFAA C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C)[C@@H]1COc2ccccc21 888101312 IMGVAZUCXDIQFQ-UHXUCMFUSA-N 358.360 2.912 0 50 FFAA COc1ccc2c(C(=O)N[C@H]3CCCc4cc(CN)ccc43)cnn2c1 2325774924 HBRWAFOPNVVKBH-SFHVURJKSA-N 350.422 2.609 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@@H](O)[C@]1(O)CCOC1 2325860809 VIYMIGWLPZQDCG-JQHSSLGASA-N 357.878 2.538 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2cnn3ccc(Cl)c(F)c23)C(=O)O)c1 2325865743 OLMIIXFXOZGWBY-CQSZACIVSA-N 361.760 2.991 0 50 FFAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc12 1071560 ZPYKJKNYUIHCIT-UHFFFAOYSA-N 353.304 2.634 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc3c(nc2OC)CCC3)C1=O 2356134420 MCKMDOGBRNAXJY-NRFANRHFSA-N 371.481 2.586 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 2772761 RVBKBLCKYUNGSW-UHFFFAOYSA-N 367.236 2.511 0 50 FFAA CC(=O)Nc1ccc2nc(CN(C)[C@@H]3C[C@@H]4CNC(=O)C[C@@H]4C3)ccc2c1 2356163497 GGYINCMEOHCSOX-FCEWJHQRSA-N 366.465 2.540 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3c(C)nn4c(C)cc(C)nc34)C[C@H]21 2356167185 JQYJZLKKVQQQAB-YRNRMSPPSA-N 356.470 2.668 0 50 FFAA CCOc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 4027327 RFWQOKDGSGXSCY-QAPCUYQASA-N 352.390 2.961 0 50 FFAA biogenic O=C(NCCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1 4487366 SUAPFJREYKUHOU-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA COCCN(Cc1nnc(CC2CCNCC2)n1-c1ccccc1)C(C)C 55199477 ASISNYYSQQUZET-UHFFFAOYSA-N 371.529 2.666 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C)cc2C)C1 106235759 MTYIXSVBRYMVPR-HZPDHXFCSA-N 352.500 2.542 0 50 FFAA Cc1ncncc1C(=O)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 20781437 MNWWQFIIDVGAFS-OAHLLOKOSA-N 354.458 2.587 0 50 FFAA COc1cc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc(OC)c1 23373329 SIEPOPAEBSPSHB-KRWDZBQOSA-N 350.503 2.619 0 50 FFAA O=C(CCc1nc(-c2cccs2)no1)N1CC[C@@H](Oc2cccnc2)C1 135767888 ZNKUFMCFBKQOQV-CQSZACIVSA-N 370.434 2.806 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1nc(-c2ccccc2)no1 67852463 URJZVTNJZSQOBQ-AWEZNQCLSA-N 361.405 2.625 0 50 FFAA CCn1cc(-c2nnc(SCC(=O)O)n2-c2cccc(Cl)c2)cn1 65372494 FLDSBQQNTZITDJ-UHFFFAOYSA-N 363.830 2.981 0 50 FFAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1(C)C 229657690 HNEZXNRUMSUGRW-APHBMKBZSA-N 350.484 2.750 0 50 FFAA O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(N2CCOCC2)cn1 120014480 KYMXGPRBIAUVAT-UHFFFAOYSA-N 371.441 2.530 0 50 FFAA Cc1nn(C)cc1CNC(=O)c1ccn(COc2cccc(Cl)c2)n1 2799917 XOCXERIXYBEGRI-UHFFFAOYSA-N 359.817 2.545 0 50 FFAA NC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 262604247 AXOKMWQWYQEGMA-CRAIPNDOSA-N 352.438 2.581 0 50 FFAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc3nc(O)[nH]c3c2)n1 369496873 QTMPLZJURPASQY-CQSZACIVSA-N 351.410 2.689 0 50 FFAA Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1=O 77285448 IAAANQFLWONIOX-MRXNPFEDSA-N 368.474 2.690 0 50 FFAA O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H](C(=O)O)[C@@H]1CCCOC1 262713717 CENWCFRMDAZYHZ-IAQYHMDHSA-N 360.237 2.922 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cc(-n3cccn3)ccn1)C[C@@H](C)O2 172719492 OZTKDWCELPZUPI-CYBMUJFWSA-N 350.378 2.704 0 50 FFAA COc1cccc2c1OCC(CN[C@@H]1CCCN(c3ncccn3)C1)=C2 14980491 IZYKMPWJXBTLSB-QGZVFWFLSA-N 352.438 2.520 0 50 FFAA O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1CC=C(c2ccccc2)CC1 77489891 PYVOKLADKZOPDZ-LJQANCHMSA-N 365.481 2.740 0 50 FFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CNC(=O)CC(C)(C)C 174927088 ZILZJMHXBACTKM-GOSISDBHSA-N 359.514 2.519 0 50 FFAA CNC(=O)c1ccc(CNS(=O)(=O)c2cc(C)c(Cl)s2)cc1 242339088 ZEUZFWKPYCADIC-UHFFFAOYSA-N 358.872 2.548 0 50 FFAA O=C(c1cn(CC[C@H]2CCCCN2)nn1)N(Cc1ccsc1)C1CC1 77460009 AZLRWNGMYJYDMF-OAHLLOKOSA-N 359.499 2.677 0 50 FFAA Cn1ccnc1[C@H](NCc1cc2ccccc2nc1O)C1CCOCC1 284763377 OYXAYMXYWYIPJA-GOSISDBHSA-N 352.438 2.931 0 50 FFAA O=C1C[C@@H](NC2CCN(Cc3ccco3)CC2)CN1CCc1ccccc1 20453976 XIZLNXCQKOQOPF-HXUWFJFHSA-N 367.493 2.677 0 50 FFAA COc1cccc(-c2cc(CNC(=O)CCCN3CCCCC3=O)on2)c1 223281116 YCCRLYFGDALOQM-UHFFFAOYSA-N 371.437 2.759 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H](C)N2CCCCCC2)n1 220726681 UYCZZDCIYBNZNB-CYBMUJFWSA-N 358.408 2.727 0 50 FFAA Cc1ncc(-c2ccc(NC(=O)c3nnn(C4CCNCC4)c3C)cc2)o1 178368118 YXTMGLYZUPWHBE-UHFFFAOYSA-N 366.425 2.727 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCOc2ccc(Cl)cc2C1 220318038 ONDBSQOJUXNXIZ-CQSZACIVSA-N 352.818 2.682 0 50 FFAA CCC[C@@H]1CN(C(=O)c2ccc3nc(C)c(C)nc3c2)C[C@H]1NC(C)=O 82109678 RFWKJQJXXTXRJN-VQIMIIECSA-N 354.454 2.623 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCC[C@H]1c1n[nH]c(C)n1)c(C)n2C 426431059 PRRBLJUSAWQRSI-INIZCTEOSA-N 353.426 2.899 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)NCCCOc1ccccc1)CC2 426551393 WLVOIFIJZSMWSV-UHFFFAOYSA-N 359.470 2.547 0 50 FFAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N1CCC(=O)NC[C@H]1C 426389980 WACWOJGCYABNSO-CQSZACIVSA-N 360.458 2.722 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cc([C@@H]2CCOC2)ncn1 426691195 NCTDNSCGVRXUIJ-OAHLLOKOSA-N 367.428 3.534 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 91770424 KZJWTWFJRADVKS-KRWDZBQOSA-N 364.453 2.563 0 50 FFAA COc1ncccc1C(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91964787 JULZKYUEIUXJSS-OAQYLSRUSA-N 371.481 2.878 0 50 FFAA Cc1nn(CC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)c(C)c1C 95360301 OAXLTBHNBSBSCM-SFHVURJKSA-N 355.438 2.913 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1cc(-c3ccccc3)n(C)n1)CC2 92045612 SMNFCMGXTMLNEU-UHFFFAOYSA-N 366.465 2.562 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 426635500 PZYSEHKBZVOSHK-NSHDSACASA-N 362.865 2.668 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccc3nsnc3c2)c2ccc(F)cc2N1 97546704 MFPVUQSVHNXSCE-LBPRGKRZSA-N 356.382 2.573 0 50 FFAA CCc1nnc(CN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C(C)C)o1 97679937 QBVMSGXGYBLDMW-CYBMUJFWSA-N 360.389 2.634 0 50 FFAA Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239025415 BODRQXFVWRTZSH-HXXCKNJQSA-N 364.445 2.685 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@@H]2CCOc3ccccc3C2)C1 95524151 RFFLTKPQGVYEDF-MRXNPFEDSA-N 353.418 2.926 0 50 FFAA CN(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cn1 95381118 JUUITDSICOPQMU-UYAOXDASSA-N 364.493 2.884 0 50 FFAA Cc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 92002540 KDQRSULHUDMLBW-HNNXBMFYSA-N 369.490 2.991 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 97480581 QRFUOKADVXMQHH-UHFFFAOYSA-N 358.417 2.567 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 95355654 QOKSBXHLSXYFNS-LJQANCHMSA-N 369.513 2.924 0 50 FFAA Cc1cc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)ccn1 91894722 TYVYKADXGHOLPS-UHFFFAOYSA-N 363.469 2.945 0 50 FFAA CN(Cc1ccccc1)C1CCN(c2cc([C@H]3C[C@@H](N)C3)ncn2)CC1 244678600 IGOIMALCBZRTHY-HDICACEKSA-N 351.498 2.782 0 50 FFAA COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN(C)C 526061652 BJFSUDWKXGMUKA-UHFFFAOYSA-N 353.422 2.679 0 50 FFAA in-vitro O=c1c(=Cc2ccc(-c3cccc(Br)c3)o2)sc2ncnn12 254442786 MQBUVUYEUIAVSJ-UHFFFAOYSA-N 374.219 2.721 0 50 FFAA Cc1ccc(CCNC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)o1 299785246 YJBAHZUAQZWZIY-GOSISDBHSA-N 371.437 2.861 0 50 FFAA CS[C@@H](C)CCN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 299757813 JTZULYFHSHHJDK-AWEZNQCLSA-N 350.532 2.647 0 50 FFAA O=C(O)[C@@H](C(=O)NCc1cnn(-c2cccc(F)c2)c1)C1CCCCC1 299786661 NSBWFFNQPFSQAM-QGZVFWFLSA-N 359.401 2.909 0 50 FFAA Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)n1C(F)F 299768502 OABBVDAORPEKOX-INIZCTEOSA-N 368.472 2.824 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)N1CCC(F)(F)CC1 828925287 PRZXKTSTURHTLY-OAHLLOKOSA-N 353.413 2.797 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)NCc2cc(COc3ccccc3)cs2)C1 584889099 TUNCKRQYDRDCFM-INIZCTEOSA-N 373.478 2.747 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)[C@@H]2COc3ccccc32)cc1OC 268941094 LQAZKYSMDPYLAM-CABCVRRESA-N 371.389 2.512 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncncc1C(C)C)C2 1565507690 TXQBMAVGVLLSBH-CVEARBPZSA-N 369.469 2.832 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@H]2c2nncn2C)ncn1 275693607 MYFGAJXPLCGNMG-VKJFTORMSA-N 371.489 2.562 0 50 FFAA COc1ccc(-c2ncc(C(=O)NS(=O)(=O)CC(C)(C)C)s2)cc1 170645739 OWFNOJJYORPXIM-UHFFFAOYSA-N 368.480 2.924 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1C[C@]12CCCc1ccccc12 170644368 IGCHSJZFWLLKHE-JXFKEZNVSA-N 368.506 2.855 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)C1CCS(=O)(=O)CC1 186940676 BEKXRODWTWEQCQ-AWEZNQCLSA-N 361.511 2.792 0 50 FFAA CNC(=O)C[C@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506421987 XYDHHPWPIRGJRV-OAHLLOKOSA-N 366.527 2.748 0 50 FFAA O=C(O)[C@H]1CN(C2CCN(CCc3ccccc3)CC2)CC12CCOCC2 1775984136 ICASIJKKIYFVDP-HXUWFJFHSA-N 372.509 2.507 0 50 FFAA CN(C)c1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)ncc1F 1772707016 QQIQVUQLKVOJTJ-UHFFFAOYSA-N 357.433 2.920 0 50 FFAA Oc1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1OC(F)(F)F 1772706694 URQJSEZZHIUIHN-UHFFFAOYSA-N 359.279 2.724 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3ccncc3)C2)c1 12303270 SXXSJPJLELNPMZ-KRWDZBQOSA-N 369.465 2.741 0 50 FFAA CN(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12596252 RINSZLAFUDLULG-XTXLJPNXSA-N 364.493 2.524 0 50 FFAA Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(Br)c1 169299101 NLDSSGYILWJOCN-NDBYEHHHSA-N 354.200 2.574 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)s1 169764120 CUUWBNVFIMRUOU-UHFFFAOYSA-N 374.441 2.862 0 50 FFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 237188951 HUHBJWKYGNFUFI-KBPBESRZSA-N 369.303 2.983 0 50 FFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)c1ncc(Br)cn1 330625230 HHNCZDZQZMBQMY-VIFPVBQESA-N 367.247 2.999 0 50 FFAA Cc1ccc(OCCC(=O)N2CC[C@H](N)C[C@@H]2C)c(Br)c1 237489337 FBHHQFGYKDFUBM-STQMWFEESA-N 355.276 2.865 0 50 FFAA Cc1nc(COc2cccc(C(=O)N3CC[C@@](C)(C(=O)O)C3)c2)cs1 237762653 RCKQNWZWRVSVHX-GOSISDBHSA-N 360.435 2.967 0 50 FFAA Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N1CC[C@H](N)C1 237735299 GJYHXTQLTQYYBZ-ZDUSSCGKSA-N 367.280 2.898 0 50 FFAA CN(C)C(=O)c1ccc(N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)nc1 378021972 HXFOYWZZZPZPRJ-RDJZCZTQSA-N 359.857 2.649 0 50 FFAA O=C(NCc1cccnc1)N1CCC2(CC1)Cc1ccccc1NC2=O 1875281397 SKGRBEWYYRRWJK-UHFFFAOYSA-N 350.422 2.568 0 50 FFAA Cc1ncc(NC(=O)c2cc(-c3cccnc3)n(C)n2)n1CC(F)(F)F 1875308827 ZVZXTIXBINMDRO-UHFFFAOYSA-N 364.331 2.802 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3ccccc3)O[C@@H](C)C2)C1 1875379143 NERAUVDUYGVAEO-YTQUADARSA-N 356.466 2.790 0 50 FFAA Cc1cc(N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)nc(N(C)C(C)C)n1 1875330536 SIDGDDBSMSYSJN-AAEUAGOBSA-N 373.423 2.523 0 50 FFAA Cc1cc(C(=O)N2CC[C@H](CO)C23CCOCC3)c2nccc(C)c2c1 1875313232 MKCMNHABGRNVIF-MRXNPFEDSA-N 354.450 2.855 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc([C@@H](O)C(F)(F)F)cc2)CC1 1875366903 WNSOGCDPXMZVQO-OAHLLOKOSA-N 356.344 2.645 0 50 FFAA C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)O[C@@H]1CCc2c(Cl)cccc21 2325721181 YGLPGOOLQHCHNI-JECHBYEQSA-N 365.857 2.926 0 50 FFAA CCc1nc2c(C(=O)O[C@@H]3CCN(Cc4ccccc4)C3)ccnc2[nH]1 2325858327 IPKFEIHKFFLFQG-OAHLLOKOSA-N 350.422 2.952 0 50 FFAA Cc1cccc(C[C@@H](C)N(C)C(=O)Cn2nc(O)c3ccccc3c2=O)c1 2325864662 VLWZDMGHVIUKTM-OAHLLOKOSA-N 365.433 2.500 0 50 FFAA CCCCC(=O)NCC[C@H](C)N(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867676 BYKSEIYPVRACGF-OOKSDGMUSA-N 351.535 2.793 0 50 FFAA Cc1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c2n[nH]cc2c1 2325870627 HQOLICGBLNOFBG-DOMZBBRYSA-N 358.442 2.857 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc3ccccc3[nH]2)C1 886051480 AZFHKPHGAZMQIZ-DOTOQJQBSA-N 351.406 2.871 0 50 FFAA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccco1 879139 QSVQFYWVIYSTIG-UHFFFAOYSA-N 370.430 2.791 0 50 FFAA COC(=O)COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 1124165 ZQXHVZDFBQLNBA-UHFFFAOYSA-N 355.799 2.693 0 50 FFAA COc1ccc(CN2CCC(C(=O)NCc3ccccn3)CC2)cc1OC 1179411 WVYBJPLUPNKSPB-UHFFFAOYSA-N 369.465 2.627 0 50 FFAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc1 4121941 WIKOZLKAJDFIFU-HNNXBMFYSA-N 350.440 2.619 0 50 FFAA CCOc1cc(CNCc2cccs2)cc(Cl)c1OCC(N)=O 4488594 QAGVRJQTBANUBS-UHFFFAOYSA-N 354.859 2.954 0 50 FFAA CC[C@H](C(=O)OC)n1nc(-c2ccc(Br)cc2)ccc1=O 4542984 OSPXNJAPTXHQOK-CYBMUJFWSA-N 351.200 2.797 0 50 FFAA O=C(CSc1cn[nH]n1)Nc1nnc(SCc2ccccc2)s1 7344267 VMZCJVQJHJPQRJ-UHFFFAOYSA-N 364.481 2.679 0 50 FFAA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C[C@H]1CCOc2ccccc21 225609684 MYPOKLGIEUGJHL-IAGOWNOFSA-N 358.482 2.655 0 50 FFAA Cc1c[nH]c(CNC2CCN(c3cccc(N4CCCC4=O)c3)CC2)n1 23542419 WWWNMISQJUPKSR-UHFFFAOYSA-N 353.470 2.604 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 102648305 ZMZRALOGNGGYEC-HOCLYGCPSA-N 361.401 2.763 0 50 FFAA Cc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)C[C@H]1CCO 104351382 AOENMNDFDSCWFZ-JOCHJYFZSA-N 359.558 2.736 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccccn2)C[C@@H]1CCO 20211332 MWBOINUUCRVFAE-FQEVSTJZSA-N 355.482 2.549 0 50 FFAA COc1ncccc1NC(=O)C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 134360868 LCBKGOYJJULFIJ-KKSFZXQISA-N 365.433 2.957 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(C)ccc1OC 247844477 ROQWSAYVBLDPDR-OIISXLGYSA-N 360.454 2.748 0 50 FFAA Cc1noc(C)c1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 67760222 KCQKHUHXXDALOL-RMKNXTFCSA-N 354.454 2.832 0 50 FFAA FC(F)(F)COc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1 350925713 QHEMCJAQWALHGP-UHFFFAOYSA-N 362.271 2.782 0 50 FFAA CCn1c([C@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)nn(C)c1=O 67723589 XNGZUCWTBKYZFC-INIZCTEOSA-N 367.453 2.636 0 50 FFAA O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cnccn2)CC1 171596874 UZWSSCPHSOTVPL-IBGZPJMESA-N 369.444 2.989 0 50 FFAA Cc1cc(C(=O)N2Cc3cnn(CCO)c3C2)c2ccc(C)c(C)c2n1 67833561 FCIAKWCZQILFNN-UHFFFAOYSA-N 350.422 2.505 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67691711 IQXRUUKAEPMYJZ-HNNXBMFYSA-N 364.453 2.711 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nn1 67613577 RZUPHQVQHAZWMQ-UHFFFAOYSA-N 361.243 2.510 0 50 FFAA O=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 1399258 XMWNUCGQPBZEMW-LBPRGKRZSA-N 362.781 2.832 0 50 FFAA Cc1nccc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72410803 WXKCFTIQWRNVHL-FQEVSTJZSA-N 351.454 2.589 0 50 FFAA CCn1ccnc(N2CCC(NC3CC(c4ccccc4)C3)CC2)c1=O 328636282 NZNZCFJTYFCDGM-UHFFFAOYSA-N 352.482 2.768 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)n1 151004205 YBSOYKURILCIRA-QGZVFWFLSA-N 359.376 2.762 0 50 FFAA CC(C)CN(C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C1CC1 71759950 MDXWIMHTARPRHB-KRWDZBQOSA-N 373.497 2.623 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 72439540 DUZWIPKEQAHTSQ-OAQYLSRUSA-N 366.465 2.763 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O 370908317 BIRJCEYPTVXLOG-KRWDZBQOSA-N 364.833 2.585 0 50 FFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cccc(C)c1)CC2 72169746 WEGUBQMAWQIXCZ-UHFFFAOYSA-N 365.481 2.621 0 50 FFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4C)c3)[C@H]2C1 127220487 JNJFEHCGZSIUCI-NZSAHSFTSA-N 355.438 2.589 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 159350507 OGVLXNKXDPAALA-MGPUTAFESA-N 370.522 2.930 0 50 FFAA Cc1nc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cn1C 71760990 AKHSGYJLKIVNEL-UHFFFAOYSA-N 358.467 2.567 0 50 FFAA Cc1nc([C@H]2CCCCCN2C(=O)c2csc(S(C)(=O)=O)c2)no1 378605986 HVGWAMMUQSNKPI-GFCCVEGCSA-N 369.468 2.601 0 50 FFAA CC1(C)CCc2sc(NS(=O)(=O)c3cccc4c3OCCO4)nc21 333816962 GTVBTURQZZENKX-UHFFFAOYSA-N 366.464 2.939 0 50 FFAA CC(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 14950938 QKASWASQIWDROH-JOCHJYFZSA-N 371.525 2.761 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccnn1C 285333150 SJJMOOBCVMXJSZ-HNAYVOBHSA-N 351.454 2.714 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1CCC(OC[C@H]2CCCCO2)CC1 175690538 FOAANKLVNGAUTP-LJQANCHMSA-N 367.511 2.875 0 50 FFAA N[C@H]1CCCCN(Cc2ccccc2CS(=O)(=O)c2ccccc2)C1 82121291 MWMOZAFYPWUBJV-IBGZPJMESA-N 358.507 2.974 0 50 FFAA CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCS(=O)(=O)CC1 80859117 WBAVTTIMDCVRCH-UHFFFAOYSA-N 357.475 2.932 0 50 FFAA CN=c1cc(C)[nH]c(-c2ccc(C(=O)NCc3nccn3C(C)C)cc2)n1 426678192 VHCAEJHWLZEPJJ-UHFFFAOYSA-N 364.453 2.623 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCc1cc(CC(C)C)no1 426662471 SBASAYWGCLNTJD-GOSISDBHSA-N 361.442 2.844 0 50 FFAA Cc1nn(CCO)c(C)c1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1 20668450 KIQQIXFIZVJJAC-UHFFFAOYSA-N 370.844 2.934 0 50 FFAA O[C@@H](COc1ccc(CN2CCC(F)CC2)cc1)CN1CCCCC1 95508538 JKOXKIAUGIXKQJ-LJQANCHMSA-N 350.478 2.846 0 50 FFAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 95389406 DUUDYLDPTKUTNH-CQSZACIVSA-N 363.425 2.585 0 50 FFAA CC(C)N1C[C@H](O)[C@@H](NC(=O)c2sc3cccc(F)c3c2Cl)C1 91691076 MPZRSSJLPJYPQZ-QWRGUYRKSA-N 356.850 2.877 0 50 FFAA CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2O)c1 179506426 NZKQJLVAJZGRPN-KRWDZBQOSA-N 365.437 2.717 0 50 FFAA Cc1ccc2nc(C(=O)N3CC[C@@]4(CC(=O)c5ccccc5O4)C3)cn2c1 92004250 XRWDRLOLEPOOJA-OAQYLSRUSA-N 361.401 2.893 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1csc(Cc2ccccc2)n1)C(=O)O 95523889 LBRBSUFZFLAYMT-INIZCTEOSA-N 370.434 2.630 0 50 FFAA Cn1ccnc1C1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 96165532 VBQWIHMQEKECEN-UHFFFAOYSA-N 362.433 2.795 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)c2c[nH]c(=O)cc2O)C1 91381101 YOKLWEAPJNJCGN-CYBMUJFWSA-N 370.453 2.612 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cnc(NC(C)C)nc3)C[C@H]2C(=O)O)c1 92066405 UCQFHCAHMSAKAT-ZWKOTPCHSA-N 370.453 2.606 0 50 FFAA CN1CCN([C@H]2CCN(c3nc4ccccc4s3)C[C@H]2CCCO)CC1 91650949 XWUUWKZKVCSOKS-AEFFLSMTSA-N 374.554 2.511 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)[C@@H](OC)C[C@H]2O 91859445 PCMQHFPFWIJBSD-CABCVRRESA-N 354.834 2.742 0 50 FFAA CN(C)[C@@H](C(=O)NCc1noc(Cc2ccccc2)n1)c1ccc(F)cc1 95361697 BWPKXLSBMUSSFV-LJQANCHMSA-N 368.412 2.719 0 50 FFAA CC[C@H]1CN(Cc2c(OC)cc(OC)cc2C(=O)O)CCN1C(C)C 97823656 ZMXLSLALPXNVAB-AWEZNQCLSA-N 350.459 2.707 0 50 FFAA COc1ccc([C@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1OC 534583368 PQSGTHNFSWKENL-LBPRGKRZSA-N 358.442 2.818 0 50 FFAA O=C([C@H]1CCCO1)N1CCCN(Cc2coc(-c3ccccc3)n2)CC1 368910096 KRCKJNNSUPTZTF-GOSISDBHSA-N 355.438 2.555 0 50 FFAA O=C1CCN(C(=O)c2cnsn2)CCN1Cc1ccc2ccccc2c1 299790013 AWQGJOQWUZOWSQ-UHFFFAOYSA-N 366.446 2.566 0 50 FFAA CCN(CCn1cccn1)C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 584895149 ALIONZAVKRQMNF-IBGZPJMESA-N 370.501 2.537 0 50 FFAA COCCN1CCC(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 952966606 XITOGAPSGSMMCR-UHFFFAOYSA-N 373.497 2.528 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565530972 NESFZNWTJFVTOK-KBPBESRZSA-N 361.467 2.936 0 50 FFAA CCn1c(C)cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1C 1565528973 YOVKIROXTGWXQX-AEFFLSMTSA-N 357.498 2.988 0 50 FFAA O=C1O[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2N1C1CCCC1 1565512047 XWQYJSJKXNXQCN-MOPGFXCFSA-N 370.428 2.959 0 50 FFAA Cc1cc(C(=O)NC2CCN(Cc3nc(C(C)(C)C)no3)CC2)c(C)o1 170775858 OIMWAHKVOJSMHD-UHFFFAOYSA-N 360.458 2.971 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 268943900 NOZSCKXCFJBBJB-HZPDHXFCSA-N 353.374 2.576 0 50 FFAA Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1nnnn1CC1CC1 170598282 ICXJXTYGOCQKJJ-CQSZACIVSA-N 356.474 2.778 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 170671489 FWPOJKCJEXQCOL-OAHLLOKOSA-N 359.426 2.674 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N[C@@H]1CCCN(Cc2ccccc2)C1 188316238 PQQLANVMKLRHSZ-QGZVFWFLSA-N 352.482 2.612 0 50 FFAA O=C(NS(=O)(=O)c1ccc(F)c2ncccc12)[C@@H]1Cc2ccc(F)cc21 796666022 LYLRKSGUULGIHO-CQSZACIVSA-N 374.368 2.658 0 50 FFAA Fc1cc(Cl)cnc1N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 1506399917 ROYHCOKDUXEDHY-JMARDNNUSA-N 372.875 2.854 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(O)ccc2N)CC1 1704356492 XXMSOPKNGNVJSF-UHFFFAOYSA-N 368.433 2.687 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 212024028 PUJQHMIJIYFCHZ-SJORKVTESA-N 356.397 2.832 0 50 FFAA O=C(O)c1c(N2CCC[C@H](C(=O)N3CCCC3)C2)noc1-c1ccccc1 1704324703 DHRMHGNZTKQZAZ-HNNXBMFYSA-N 369.421 2.879 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C1 12194631 ZMESEGFMZYFFAI-OAHLLOKOSA-N 372.421 2.955 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 12274771 LKZDSLACTLASDZ-KRWDZBQOSA-N 350.418 2.633 0 50 FFAA O=C(c1ccsc1)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 12308855 GAOOTYDXSFSZCC-LJQANCHMSA-N 355.463 2.798 0 50 FFAA O=C(CSc1ccncc1)N[C@H]1CCCN(CCc2ccccc2)C1 12431038 LQQVJQIGUHCVKK-SFHVURJKSA-N 355.507 2.997 0 50 FFAA Cc1sc(NC(=O)CSc2nc(O)cc(=O)[nH]2)nc1-c1ccccc1 12730883 JZOMNGVGOXQEAB-UHFFFAOYSA-N 374.447 2.638 0 50 FFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCCC4)cc3)ccc21 13677490 MWTFLKOKXPIULF-UHFFFAOYSA-N 364.449 2.725 0 50 FFAA COC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)cc2)cc(C(=O)OC)c1 13953000 WOWFVKLCAOYUSQ-RMKNXTFCSA-N 369.373 2.920 0 50 FFAA COc1ccc(Cc2nc(-c3c(C)ncc4c3CCNC4)no2)c(OC)c1 19299782 STWMBPCMRVSTNA-UHFFFAOYSA-N 366.421 2.694 0 50 FFAA Cc1cccc2cc(-c3nccn3C[C@@H](O)CN3CCCC3)c(O)nc12 1857678856 SRBQDJIBPHHHJX-INIZCTEOSA-N 352.438 2.569 0 50 FFAA Cc1nccc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857710991 GCUUDQXETVUPET-NRFANRHFSA-N 374.448 2.827 0 50 FFAA CC(=O)Nc1ccc2nc(-c3nccn3C[C@@H]3CC(=O)N(C)C3)ccc2c1 1857731327 PPRAYUQOHNXJDT-CQSZACIVSA-N 363.421 2.535 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 212765848 HHTPYUVXAKUOEO-CJNGLKHVSA-N 359.426 2.545 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1nc3ccc(F)cc3[nH]1)C2 219622738 YOUJENLGZWQTMM-HIFRSBDPSA-N 370.428 2.731 0 50 FFAA Cc1cc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)nn1-c1ccccc1 332662035 NCXAKUXDHIERAS-INIZCTEOSA-N 368.481 3.404 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cnc(-c2ccccc2)nc1C 247930657 JOXNZKQISGZNEV-AEFFLSMTSA-N 364.449 2.535 0 50 FFAA O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1csnn1 151693497 JJVMQFFUOZAIEH-LBPRGKRZSA-N 363.443 2.752 0 50 FFAA CC(C)CN1CCC[C@H](CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 161599931 SXAHPCBZKPESBO-MRXNPFEDSA-N 370.501 2.972 0 50 FFAA CO[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O)c1ccc(O)cc1 908842961 SYUAOQMOSCDVCT-RDTXWAMCSA-N 357.406 2.829 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1cc(C(=O)O)sc1C)C[C@H]2O 832439283 PDEYVITUGPWZTR-CYBMUJFWSA-N 363.435 2.821 0 50 FFAA Cc1occc1CNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 872439396 GYNRDTJXNGWVRI-UHFFFAOYSA-N 368.842 2.995 0 50 FFAA C=CC(=O)NCC(=O)N[C@H]1CCCSc2ccc(Br)cc21 1875371266 VLMKINDOPGWXLT-LBPRGKRZSA-N 369.284 2.795 0 50 FFAA O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2ncsc2c1 1875350504 PXWWMSFQLYJYSW-UHFFFAOYSA-N 366.851 2.997 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cccc(-n2ccnn2)c1 1875342256 HGCVYFOMCQSPDY-GOSISDBHSA-N 354.435 2.542 0 50 FFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc2nc[nH]c2cc1F 1875349268 SCZLJJXFUYXDSR-LBPRGKRZSA-N 352.369 2.517 0 50 FFAA CC(=O)N1CC(OCc2nnc([C@H](C)Oc3ccccc3Cl)o2)C1 888076677 FUJUGUDHQLEQHI-JTQLQIEISA-N 351.790 2.610 0 50 FFAA CC(C)C(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 888102378 RBHTWUFCMHHBFG-WFASDCNBSA-N 352.456 2.613 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c1C 35598128 BYUYSSLYNQSVFA-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CNCc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)cn1 2325798848 DLYJJNAEWRPHIR-UONOGXRCSA-N 350.344 2.501 0 50 FFAA Cc1cnc2n1[C@@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)CCC2 2325804449 PLMBFYCPTDRTQE-LJQANCHMSA-N 368.481 2.564 0 50 FFAA CCc1sccc1C(=O)NCC1=CCN(C(=O)[C@H](C)n2ccnc2)CC1 2325879962 NRIBMZHXFVKFOI-AWEZNQCLSA-N 372.494 2.657 0 50 FFAA O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 926470264 RGDOZMGGSMMYDW-LBPRGKRZSA-N 366.464 2.686 0 50 FFAA CCN1CCN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 20601866 KJBLHHKQFDMRPK-SNVBAGLBSA-N 352.788 2.589 0 50 FFAA CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1093653 FLNVLBHUDUKABI-UHFFFAOYSA-N 358.891 2.655 0 50 FFAA COc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1 2596784 IZESQGYTPLJGEB-UHFFFAOYSA-N 362.437 2.764 0 50 FFAA CCOc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCC 4488492 GILQMTRDFPSBRO-UHFFFAOYSA-N 371.894 2.543 0 50 FFAA O=C(c1cccs1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4867945 AKPDKRGNMZIPKX-CQSZACIVSA-N 353.440 2.717 0 50 FFAA CC[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 4995599 TYMGBNQZSRUPAY-CQSZACIVSA-N 364.442 2.936 0 50 FFAA CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(C)(C)C)on2)CC1 6747363 ZPCFALLKKMAIPN-UHFFFAOYSA-N 371.503 2.753 0 50 FFAA CC(C)CCn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21 100472735 XPKGFLMSKFQGPR-UHFFFAOYSA-N 352.394 2.796 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 57897277 BTIOMPWJVPZYDP-SFHVURJKSA-N 366.527 2.952 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCCC[C@H]2CCO)no1 67856382 IBTDLYHYTWGMJJ-KRWDZBQOSA-N 357.454 2.684 0 50 FFAA Cc1cccc(OCCc2nnc(NC(=O)CC3=CCNCC3)s2)c1 63884496 IRJRVPHSGOMMOG-UHFFFAOYSA-N 358.467 2.716 0 50 FFAA O=C(NCCOc1ccccc1)c1cc(COc2ccccc2F)[nH]n1 67881609 QHEXFDCVQQVVKW-UHFFFAOYSA-N 355.369 2.937 0 50 FFAA Cn1cc([C@H]2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cn1 171514565 KQIQFVWYBVOJKQ-GOSISDBHSA-N 373.432 2.765 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccccn3)C1)C2 229747473 IDDBTYZKTAYXMG-IXAFZWLNSA-N 355.482 2.761 0 50 FFAA CCCOc1ccc(CNC(=O)c2cc(N3CCOCC3)ccn2)c(C)c1 252483439 FBOUUMIHEOVSAF-UHFFFAOYSA-N 369.465 2.945 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1 12373174 AKOFUELOUZRIPV-FLVLSHQESA-N 358.467 2.510 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)CC2CCCC2)C1 72478142 LFVMDTZMSFAUFV-KRWDZBQOSA-N 359.518 2.697 0 50 FFAA C[C@@H](CNC1=CC(=O)OC12CCCCC2)NC1=CC(=O)OC12CCCCC2 4558221 GOZPJPJEACHIPI-HNNXBMFYSA-N 374.481 2.841 0 50 FFAA COc1ccc2c(c1)C1(CC1)CN(C(=O)c1csc(NC(C)=O)n1)C2 365700874 AABGTZYWRXTERH-UHFFFAOYSA-N 357.435 2.798 0 50 FFAA CCn1ccnc1CN(C(=O)CC[C@@H]1CC[C@H](C)O1)[C@H]1CC12CCNCC2 261706278 JPFZNAODBAHMLJ-BZSNNMDCSA-N 374.529 2.721 0 50 FFAA NC(=O)Cn1cc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)cn1 376623328 SWFCJCAXRSGNQC-UHFFFAOYSA-N 358.417 2.639 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CC[C@H](C)N3CCOCC3)CC2)c1 77323648 LJYAZNHVUCKRDD-SFHVURJKSA-N 360.498 2.866 0 50 FFAA CC(C)(C)OC(=O)N1CCCN(c2nnc(Br)s2)CC1 72137437 LQQIYEAWAGAREX-UHFFFAOYSA-N 363.281 2.748 0 50 FFAA NC(=O)COc1ccc(CN2CCC3(CCOCC3)CC2)cc1Cl 216409044 PCINFOHTGSXWCP-UHFFFAOYSA-N 352.862 2.597 0 50 FFAA Cc1ccc(C)c(CNc2ncc(S(C)(=O)=O)c([C@H]3CCCNC3)n2)c1 72418377 VDFIRINLSYRQNN-HNNXBMFYSA-N 374.510 2.576 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CN1CCCO 82166789 IUGUMWPTFJSNCH-IBGZPJMESA-N 352.425 2.552 0 50 FFAA O=C(NCCSc1ncn[nH]1)c1cccc(N2Cc3ccccc3C2)c1 222463131 FKJIPBCIUMHULG-UHFFFAOYSA-N 365.462 2.847 0 50 FFAA O=C(Nn1ccc2c(cnc3ccnn32)c1=O)c1ccc(Cl)cc1Cl 40387616 JUCWWAOGAKBBCY-UHFFFAOYSA-N 374.187 2.735 0 50 FFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@](CO)(c2ccccc2)C1 291171812 JZKGEPVFXOFYCQ-JOCHJYFZSA-N 361.445 2.708 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2c(C)nc(O)nc2O)cc1 426581285 PQGQOQAJJLWCTE-INIZCTEOSA-N 371.437 2.894 0 50 FFAA Cn1nc(C(=O)N2CCc3ccccc32)cc1C(=O)N1CCc2ccccc21 20616668 UEEUFPWBXGWKMN-UHFFFAOYSA-N 372.428 2.826 0 50 FFAA CC(C)c1ccccc1-c1ccc(C(=O)N2CCNC(=O)[C@H]2CCO)cc1 426510102 KUOAMIXCJFNSPJ-HXUWFJFHSA-N 366.461 2.800 0 50 FFAA Cc1ccsc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91849322 PBAHNGBNYRFJPO-CQSZACIVSA-N 350.484 2.734 0 50 FFAA Cc1cc(N2CCC[C@]3(CC2)CNC(=O)O3)nc(-c2ccccc2O)n1 91381697 RLEVIEXEUXOYHO-IBGZPJMESA-N 354.410 2.627 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@@H](c1cccnc1)N1CCOCC1 95390694 OGWOVPIEBWJFGR-LJQANCHMSA-N 371.506 2.706 0 50 FFAA Cc1ccc(-n2nc(NC(=O)N3CCC[C@H]3C(=O)NC3CC3)cc2C)cc1 180088358 ZABWBHCWTGYCME-KRWDZBQOSA-N 367.453 2.764 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1nc(Cc2ccccc2)no1 95526417 VAFGNWFALXLEFF-OAHLLOKOSA-N 367.453 2.900 0 50 FFAA OCCC[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@@H]1N1CCOCC1 91326692 DOXQWWGMNSQCOT-ZBFHGGJFSA-N 358.935 2.697 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCC(OCc2ccccc2)CC1 97492486 SUGMIRLNWMQIOS-UHFFFAOYSA-N 354.450 2.755 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)c(C)o1 96153449 LSIRPHLWHHVMEJ-UHFFFAOYSA-N 371.485 2.641 0 50 FFAA Cc1ccccc1-n1cc(CN(C)Cc2nc(-c3cnccn3)no2)cn1 23192516 RWWIHLOLRVCUAM-UHFFFAOYSA-N 361.409 2.653 0 50 FFAA CCCn1cnnc1CNC1CCN(c2ccc(C(F)(F)F)cn2)CC1 95384755 FDVBMAQQYRWFHI-UHFFFAOYSA-N 368.407 2.861 0 50 FFAA CS(=O)(=O)CC1(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 181225403 CWVUDHJXTIDABK-CQSZACIVSA-N 363.401 2.987 0 50 FFAA COCCc1noc(CN2CCCN(c3nc4ccccc4s3)CC2)n1 243957163 CGZOBPSSAZCIKB-UHFFFAOYSA-N 373.482 2.581 0 50 FFAA Cc1cncc(C(=O)N2CC(C)(C)N(C(=O)c3cncc(C)c3)C[C@@H]2C)c1 297612922 AUYOAZMULVIYDA-INIZCTEOSA-N 366.465 2.859 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 257198902 LIBLOKVUZGFOSR-NLWGTHIKSA-N 369.509 2.762 0 50 FFAA biogenic Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cc(F)ccc2OCCCN)C1 299788753 WRALBHHMAYQCTH-OAQYLSRUSA-N 372.440 2.595 0 50 FFAA CO[C@@]12CC[C@H](OCC3CC3)C[C@@H]1N(C(=O)c1n[nH]cc1Cl)CC2 299787150 TXBNCIQLWQOECP-RVSPLBMKSA-N 353.850 2.642 0 50 FFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)[C@H]1COc2ccccc2O1 822535807 HCYGTLSAAKCGFP-QGZVFWFLSA-N 356.378 2.822 0 50 FFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cc2ncccn2n1 825573875 UCHMTCALZGHKCD-UHFFFAOYSA-N 354.801 2.622 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 584884351 JUTSJVKSTAMROP-IRXDYDNUSA-N 369.868 2.872 0 50 FFAA COc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1CN1CCCC1 952973141 XNZXDXMLTXFRKD-UHFFFAOYSA-N 371.447 2.971 0 50 FFAA COc1ccc(Cn2c(O)nc3cc(Br)sc3c2=O)cc1 71864252 ACBREPWFFGWEGU-UHFFFAOYSA-N 367.224 2.983 0 50 FFAA in-vitro Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1NC(=O)C(C)C 952968607 NPQJMPLCDUTGAL-HNNXBMFYSA-N 374.485 2.922 0 50 FFAA O=C(CCN1CCCCCC1=O)Nc1ccc(OC[C@H]2CCCO2)cc1 952980112 CLJOFQYWICETRJ-GOSISDBHSA-N 360.454 2.976 0 50 FFAA Cc1csc2nc(-c3cc(Br)c(C)n(C)c3=O)[nH]c(=O)c12 170596412 HLGWLGQYEYTMPK-UHFFFAOYSA-N 366.240 2.730 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)c2ccc(C(F)(F)F)cc2O)n1 170592035 IKVAVFGKPBBZLG-UHFFFAOYSA-N 367.327 2.873 0 50 FFAA CNC(=O)c1ccc(COC(=O)c2c[nH]nc2-c2ccccc2F)cc1 756608580 TUWGRHPGJPMQEK-UHFFFAOYSA-N 353.353 2.932 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 5613148 ZGKSVONIQMMMHK-UHFFFAOYSA-N 364.492 2.512 0 50 FFAA COc1ccc(S(=O)(=O)CCc2nnc(-c3ccc(F)cc3)o2)cc1 5917516 SEMWMOVKJMLIDW-UHFFFAOYSA-N 362.382 2.901 0 50 FFAA O=C1N(Cc2ccccc2F)CCC[C@]12CCN(CCCn1cccn1)C2 11772264 SLMYPDWQXGSTEA-OAQYLSRUSA-N 370.472 2.927 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(Cc2ccccc2F)nn1 11934881 MNYAPZUTVONWPJ-INIZCTEOSA-N 366.396 2.541 0 50 FFAA COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1 12274367 POLZWKHVKMBLGC-NSHDSACASA-N 373.413 2.929 0 50 FFAA CCN(CCN1CCCC1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 12316297 GPGKRHAVGLICHX-UHFFFAOYSA-N 365.481 2.971 0 50 FFAA CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12404178 PCPSTCCENPSAJP-IBGZPJMESA-N 368.433 2.955 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cc1 12433041 JSDHOVAFQZSNON-NRFANRHFSA-N 374.431 2.917 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)cs1 15064834 QPWKETJYUWWNTH-OAHLLOKOSA-N 362.495 2.933 0 50 FFAA CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccc3c(c2)CCC3)c1 16626255 HZHPQXFGZQTDMZ-UHFFFAOYSA-N 350.465 2.739 0 50 FFAA CCc1ccc(-c2ccc(N3C[C@@H](C)C[C@H](C)C3)nn2)cc1S(N)(=O)=O 16648135 ROAACHUOLCOMDO-KBPBESRZSA-N 374.510 2.836 0 50 FFAA Cc1cnccc1N1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 19839390 MSXJGXXWHJCUHA-UHFFFAOYSA-N 353.451 2.544 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@H](C(C)C)O1 1857710088 HDZMIUZGUULYTQ-NVXWUHKLSA-N 357.454 2.750 0 50 FFAA CC[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)c2ccccc2n3C)C[C@@H]1O 221985659 YCLSMHYORYHUDN-UNMCSNQZSA-N 366.461 2.608 0 50 FFAA CNC[C@@H]1CCCN(C(=O)CCOc2ccc(C)cc2Br)C1 237169713 FYISCIQMIKXIDA-AWEZNQCLSA-N 369.303 2.984 0 50 FFAA Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1 237682666 IXBBBSVCQJTZPJ-MRVPVSSYSA-N 372.855 2.759 0 50 FFAA CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CO)CC1 334160620 ITLCVOOZAVDUID-SGZDXZSOSA-N 374.525 2.673 0 50 FFAA O=C(O)CCN(C(=O)Cc1ccccc1C(F)(F)F)C1CCOCC1 238065999 OVVYKQCFLPZHEB-UHFFFAOYSA-N 359.344 2.730 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](C(=O)O)C1 136165302 OWPOGKFKAKTOGA-QWRGUYRKSA-N 356.216 2.540 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H](C(=O)O)C1 136165384 OWPOGKFKAKTOGA-WDEREUQCSA-N 356.216 2.540 0 50 FFAA O=C(O)C1CCC(C(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 907881411 PGWMDKMQRZPPLK-HTAVTVPLSA-N 371.359 2.702 0 50 FFAA O=C(N[C@@H]1CCNC1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 911698515 JUUUYLNMAYVGKA-GFCCVEGCSA-N 372.778 2.695 0 50 FFAA COC(=O)c1cnc([C@H]2CCCN(C(=O)CCCCCCN)C2)s1 852925388 FAIVWZXZVBRMAD-ZDUSSCGKSA-N 353.488 2.545 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCCN(CC(F)F)C1 868224784 HMMABPMZEIENBY-NNFUDEMPSA-N 358.473 2.896 0 50 FFAA O=C1N(CCN(Cc2ccccc2)c2ccccn2)C(=O)C23CC(CN12)C3 871913355 YMQXQIQNIXQKLL-UHFFFAOYSA-N 362.433 2.515 0 50 FFAA O=C(C[C@@H](O)C1CCCC1)Nc1cc(F)c(N2CCOCC2)cc1F 1875274373 YEKLFXAJORESIU-QGZVFWFLSA-N 354.397 2.681 0 50 FFAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2cc(O)no2)CC1 1875296131 GTOSYQFEHQWBBW-UHFFFAOYSA-N 370.384 2.940 0 50 FFAA CCN(C)C(=O)N[C@@H]1C[C@@]2(C[C@H]1O)CN(Cc1ccccc1)[C@H]2C(C)C 1875339563 OOTVNCNKJFQMPG-WERVVEIQSA-N 359.514 2.698 0 50 FFAA Cc1cc(C)c2c(c1)N(C(=O)NC[C@@H]1CC[C@H](c3nc[nH]n3)O1)CCC2 1875315742 GEGNETKZKYPRQP-WMLDXEAASA-N 355.442 2.804 0 50 FFAA O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)c1sc(N2CCCC2)nc1Cl 1875323378 GJDPGZLZPHTEGW-NXEZZACHSA-N 357.863 2.770 0 50 FFAA O=C(N[C@@H]1CC[C@@H]2C[C@]21C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320547 TWIQDTZHQPMTJX-SIVJFFJCSA-N 354.328 2.961 0 50 FFAA COc1nc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)cc2ccccc12 888077472 CRXWMLMNVCIGDE-CZUORRHYSA-N 352.394 2.569 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2)[C@@H]1C(C)C 888094961 NQNYYCUVHNHGLI-WERVVEIQSA-N 355.482 2.768 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1 1075036 QVPZSFBWVOIFCD-UHFFFAOYSA-N 364.492 2.512 0 50 FFAA CS(=O)(=O)[C@H](CNC(=O)N1CCCc2occc2C1)c1ccccc1 2325790763 IKMUQOHGWIAZOD-QGZVFWFLSA-N 362.451 2.523 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCN[C@H]([C@@H]4CCCO4)C3)cc2)c1C 2325795341 AUDUJZFNXIWKJB-UXPWSPDFSA-N 368.481 2.975 0 50 FFAA Cc1ccccc1[C@H](CN(C)C)NC(=O)c1ncoc1[C@H]1CCCCN1 2325801841 YBQCLFNVRQPQEM-SJORKVTESA-N 356.470 2.830 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)c1ccc(-c3cccnc3)cn1)C2 2325805916 DEMMKPIEMNUPNX-XOKHGSTOSA-N 351.406 2.717 0 50 FFAA CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 804932 VDSCAZBXXGEDCV-UHFFFAOYSA-N 367.449 2.763 0 50 FFAA COc1ccc(CCN2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1OC 2118297 AEVLGUUMRHDJHT-QGZVFWFLSA-N 366.417 2.635 0 50 FFAA biogenic Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)c1C 2821405 VIVDFHVVXBBKIX-UHFFFAOYSA-N 372.406 2.740 0 50 FFAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 4113673 KRKODTDPSKONGC-AEFFLSMTSA-N 374.437 2.826 0 50 FFAA biogenic COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 4413193 VAJFEYHLAJFTIJ-UHFFFAOYSA-N 355.438 2.708 0 50 FFAA CCOC(=O)C1=NN(C(C)=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4866887 YFZCXPBITLWTJA-IEBWSBKVSA-N 364.401 2.803 0 50 FFAA CCOc1ccccc1OCCN(C)C(=O)CCN1CCCCCC1=O 55393509 AEQIIFLYWVYEOL-UHFFFAOYSA-N 362.470 2.715 0 50 FFAA O=C1O[C@@H]2CN(Cc3cccnc3)C[C@@H]2N1CCc1cccc(Cl)c1 55386475 DXDACTDTUVNBPD-ZWKOTPCHSA-N 357.841 2.983 0 50 FFAA CCn1c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc2ccccc21 112032853 OPQUSHQVGKONBF-LBPRGKRZSA-N 353.344 2.554 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCO[C@@H](CN)C1 67458845 RZDYDYQBJWYMBR-AWEZNQCLSA-N 355.360 2.828 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cc(C)ccc1C 247882654 RUPLKESTKLRCOP-XHSDSOJGSA-N 351.468 2.798 0 50 FFAA COc1cccc(CN2CCN(CC(=O)NC3CCCCCC3)CC2)c1 20274250 KYZAATKJEGNDSU-UHFFFAOYSA-N 359.514 2.652 0 50 FFAA O=C(N[C@H]1C(=O)Nc2ccc(F)cc21)c1cc(COc2ccccc2)[nH]n1 67790110 ZZKXPRSRXKKYON-QGZVFWFLSA-N 366.352 2.551 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C 65398600 ZYWGBFXJCFPQPZ-UHFFFAOYSA-N 353.426 2.772 0 50 FFAA O=C(NCc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1)c1cccs1 136144963 ANECDUYFYRRPJP-OAHLLOKOSA-N 372.446 2.615 0 50 FFAA O=C1CNC(=O)N1Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 348946671 RZLSGZVRVUWJJN-UHFFFAOYSA-N 351.284 2.945 0 50 FFAA COc1cc2c(cc1OC)CCN(CC(=O)N(C)c1ccccc1)CC2 138771316 RBWCXUJIXDIEML-UHFFFAOYSA-N 354.450 2.767 0 50 FFAA COCc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3c(C)n[nH]c3C)cc2)n1 23379762 OWTSFJDCQXTHHD-UHFFFAOYSA-N 367.453 2.555 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@H](Cc2cccc(F)c2)C1 12076864 AMQRNIPAEJGOOS-CQSZACIVSA-N 363.410 2.742 0 50 FFAA CN(CCn1cc(C(=O)N2CCCCC2)nn1)c1ccc2ccccc2n1 67756645 YNPYIFIYOBTNHG-UHFFFAOYSA-N 364.453 2.589 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 67818128 IHGBFCLUJWMZNY-QGZVFWFLSA-N 368.481 2.715 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N[C@@H](C)c3nc(C)no3)nc2)n1 67894527 SFFIRACBOIHDMJ-JTQLQIEISA-N 372.454 2.895 0 50 FFAA O=S(=O)(Cc1cc(-c2cccs2)on1)c1nnc2n1CCCCC2 125284718 ZAMYMWCKZZIKRM-UHFFFAOYSA-N 364.452 2.695 0 50 FFAA Cc1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)nn12 32071196 PNSHYQHGDCXVSY-MRXNPFEDSA-N 370.501 2.878 0 50 FFAA CC(C)Cn1nnnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229641644 YAGQQFUDXCEPGD-PBFPGSCMSA-N 351.520 2.752 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3N2)CC1 72432081 PSIBTXYIOIEUJQ-SFHVURJKSA-N 370.884 2.724 0 50 FFAA COC(=O)C[C@@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCO2 5879464 NKPZSVRCLGDFKC-CQSZACIVSA-N 360.341 2.980 0 50 FFAA O=C(Nc1ccc2nnc(C(F)(F)F)n2n1)C1=Cc2ccccc2OC1 253427789 AUNOZUNLQJJKFD-UHFFFAOYSA-N 361.283 2.558 0 50 FFAA Cc1ccc(/C=C/S(=O)(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cc1 328627578 MYBUJLQRRYGRSG-MDVISLEMSA-N 361.467 2.539 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3ccc(C(C)=O)cc3)C2)CCC1=O 77525676 MZWUCBNNSWFMGT-NRFANRHFSA-N 358.482 2.740 0 50 FFAA Cn1c([C@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)nc2c1CCCC2 328631151 KCUVGJGEQGKSEB-HUUCEWRRSA-N 370.419 2.599 0 50 FFAA CCc1n[nH]c([C@@H]2CN(C(=O)Nc3ccccc3N3CCCC3)CCO2)n1 154433364 KNPVLUZZYJVCIE-INIZCTEOSA-N 370.457 2.573 0 50 FFAA Cc1ccc(NC(=O)C2CCN(C(=O)Cc3nc(C)sc3C)CC2)nc1 154888190 XFHJSXSCCYDFSW-UHFFFAOYSA-N 372.494 2.883 0 50 FFAA O=C(C[C@H]1COCCN1C(=O)NC1CCCC1)NCCC1=CCCCC1 72470431 NIERRAMGTCRVFM-SFHVURJKSA-N 363.502 2.736 0 50 FFAA O=C([C@H]1CCc2nncn2C1)N1CCCC[C@H]1c1nc2ccccc2o1 328950883 XBYSXVCHAHPUJE-ZFWWWQNUSA-N 351.410 2.736 0 50 FFAA O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ncc[nH]2)C1 329375008 NSCXCJLQDGVUPI-DLBZAZTESA-N 352.438 2.626 0 50 FFAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 72147881 KPDAIXDVJICRLE-CQSZACIVSA-N 364.873 2.866 0 50 FFAA Cc1nn(CCO)cc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 215803453 IABZLAGCYQDFNT-QGZVFWFLSA-N 367.453 2.613 0 50 FFAA CC[C@](CNC(=O)c1cccc(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1 263126892 YNFMLLXCRHHMND-OAQYLSRUSA-N 368.433 2.551 0 50 FFAA CC(C)[S@@](=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 236696500 LBCDLKXXRPZFQB-JBEBIEQOSA-N 351.468 2.920 0 50 FFAA CNc1ncc(CN(C)C(=O)Cc2c(C)nn(-c3ccccc3)c2C)cn1 72420301 OBCCORGTZKNCCU-UHFFFAOYSA-N 364.453 2.522 0 50 FFAA COC(=O)c1cc(NC(=O)c2cnn(-c3ccccn3)c2C)ccc1C 173847220 ZOROCASYICFZFH-UHFFFAOYSA-N 350.378 2.923 0 50 FFAA COc1ccc(-c2ncc(C(=O)N3CCC[C@@H](CNC(C)=O)C3)s2)cc1 173879896 PXSPDLNHOCNJCN-AWEZNQCLSA-N 373.478 2.807 0 50 FFAA c1nc([C@H]2CCCO2)sc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 333512743 FMWMKUSZRGGFQF-JHJVBQTASA-N 362.455 2.970 0 50 FFAA Cc1ccc(CNC(=O)N2CCS(=O)(=O)CC[C@H]2C)c2ccccc12 333914977 MPDNNJNOYQQMNN-OAHLLOKOSA-N 360.479 2.867 0 50 FFAA COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1 285287959 IUMBQCLJGHKRLY-OBZYLPMUSA-N 361.482 2.967 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@@H]1c1c(C)noc1C 426734296 MDRPMTGVUGGDMJ-MRXNPFEDSA-N 368.441 2.642 0 50 FFAA C[C@H](C[S@](C)=O)NC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 288054221 FUVLDFZXOFLQMI-YDBLSZJJSA-N 365.474 2.963 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)NCc1ccc3c(c1)CCO3)CC2 426571699 XRQQKINRJLNUTM-UHFFFAOYSA-N 368.433 2.907 0 50 FFAA O=C(CC[C@@H]1CCCOC1)Nc1cc(-n2nnnc2C2CC2)ccc1F 177882608 ZRZRPXZDHKJZNE-LBPRGKRZSA-N 359.405 2.824 0 50 FFAA COc1cc2c(cc1-c1cn(Cc3ccc(CO)cc3)nn1)OCCCO2 91452688 BTUKDIWQUJLAGK-UHFFFAOYSA-N 367.405 2.656 0 50 FFAA Cn1ccnc1CN1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91895114 IYGBWBRDDSYPOS-UHFFFAOYSA-N 366.509 2.867 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)nc2c1CCC2 95508274 MEIPMCXBAYVLFD-MRXNPFEDSA-N 351.450 2.574 0 50 FFAA CCNc1ncc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cn1 91998129 ZRTFKZFOGUWYMA-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA O=C(CN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2)NC1CC1 95374488 SCXQGGCNSWDEJC-LJQANCHMSA-N 367.537 2.999 0 50 FFAA COC[C@@H]1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97594885 FPJHEQADUFNGAR-OAHLLOKOSA-N 356.422 2.680 0 50 FFAA CSc1ncc(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)n1C 95383167 KURGGBXHYFTTBM-GOEBONIOSA-N 350.532 2.803 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC3CCN(c4cnccn4)CC3)[nH]n2)s1 91645076 LAYKFDLRBUCXHJ-UHFFFAOYSA-N 368.466 2.635 0 50 FFAA CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 91756189 GGHRUQYQHPNNIW-OAHLLOKOSA-N 351.447 2.964 0 50 FFAA CCN(CCn1cccn1)C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 97594909 HLCJUEXGTRCIDT-HNNXBMFYSA-N 355.442 2.952 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)Nc1ccc(-n2cncn2)cc1 95531008 GPTLQNPOIZWKHF-UHFFFAOYSA-N 352.398 2.798 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1cc(C)nc3onc(C)c13)CC2 95372692 IADHNBSVYGQUPG-OAHLLOKOSA-N 359.426 2.640 0 50 FFAA CC[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1nc(C)c(C)s1 244872746 WDQMASFMJKHGDL-NSHDSACASA-N 362.480 2.799 0 50 FFAA CC[C@@H](C(=O)N[C@H]1CCCN(c2cccnn2)C1)c1ccc(OC)cc1 180865203 FNMDBSLJTLIFFJ-FUHWJXTLSA-N 354.454 2.764 0 50 FFAA CCc1nc(CN2CCC(CNC(=O)c3c(C)ccnc3O)CC2)cs1 181068548 CVUWSWRGZGIJCT-UHFFFAOYSA-N 374.510 2.757 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O 299750601 OASVCKBLNVIKIT-AOLWHUPESA-N 374.462 2.734 0 50 FFAA COCCn1c([C@H](C)NC(=O)c2c(C)cc(C)nc2O)nc2ccccc21 253623743 JKSJDHMMZRRKHU-AWEZNQCLSA-N 368.437 2.891 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(-c2cc(O)ncn2)c1 299768193 KBGWUNJQHYNIMU-UHFFFAOYSA-N 351.410 2.552 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1n[nH]cc1Cl)CC2 299779362 TXBNCIQLWQOECP-HACGYAERSA-N 353.850 2.642 0 50 FFAA O=C(c1csc(N2CCN(c3ccccc3)CC2)n1)N1CCSCC1 299785620 KWHHJVDXHRDRGP-UHFFFAOYSA-N 374.535 2.659 0 50 FFAA CN1C(=O)CCC12CCN(Cc1cnc(NCc3ccccc3)nc1)CC2 823748622 ONALNRFHDSFCSI-UHFFFAOYSA-N 365.481 2.676 0 50 FFAA CO[C@@H](C)c1nc(CNC(=O)c2ccccc2N2CCCC2=O)cs1 1331531857 SAIMIUXJMKWSAV-LBPRGKRZSA-N 359.451 2.907 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc2c1OCO2 1565508757 HRRZHIMELPBJQG-YOEHRIQHSA-N 372.465 2.647 0 50 FFAA CC1=C(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)CCCO1 275682546 QGZLQBXYXWQUAK-INIZCTEOSA-N 357.454 2.746 0 50 FFAA C/C(=C\C(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 271918432 SXSNEJGJITZUHH-JATZPVMKSA-N 357.328 2.811 0 50 FFAA C/C(=C\C(=O)NC[C@](C)(O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 170638214 MZPAJHYEZWJDAO-ASYXCVNTSA-N 357.498 2.907 0 50 FFAA C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(CN2CCCC2)cc1 170621620 KSWGHYAFUVPLIP-HNNXBMFYSA-N 371.506 2.779 0 50 FFAA COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2C2CC2)N2CCCC2)cc1 170615860 SHONEQSPXYKUKV-VQTJNVASSA-N 357.498 2.575 0 50 FFAA CCC(=O)[C@H]1CCCCN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C 185823071 LJJJGGMVXBBTEP-MRXNPFEDSA-N 356.426 2.558 0 50 FFAA O=C1N[C@H](CCc2ccccc2)C(=O)N1CCc1ccc2c(c1)CCO2 189819556 HTWNBEZBRYKJOH-GOSISDBHSA-N 350.418 2.717 0 50 FFAA CO[C@@H](C)c1nnc(NC(=O)c2cnc(-c3cccnc3)nc2C)s1 1529101348 FJBGXGXLKVJYBE-JTQLQIEISA-N 356.411 2.658 0 50 FFAA Cc1ccccc1N1CCC(N2C[C@H](O)[C@H](Cc3ccncc3)C2)CC1 1529110844 RFKMMYLBDFBSKR-KNQAVFIVSA-N 351.494 2.894 0 50 FFAA O=C1CCOC2(CCN(Cc3ccncc3)CC2)CN1Cc1ccccc1 1704314797 SOHLCROZYREOQR-UHFFFAOYSA-N 365.477 2.865 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1800412162 VNLKYKLBOLLFEF-LJQANCHMSA-N 367.478 2.992 0 50 FFAA O=C(CCOc1ccccc1)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 1772710359 QARVGCBJEALVTP-SFHVURJKSA-N 356.466 2.873 0 50 FFAA COc1ccc(Cc2cc(C(=O)NC[C@H](C)Oc3cccnc3)on2)cc1 12148964 IJRULDKVGMHPPL-AWEZNQCLSA-N 367.405 2.866 0 50 FFAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 12405975 KWOGVVQNPJRZME-LJQANCHMSA-N 368.433 2.921 0 50 FFAA O=C(NCc1cccnc1-n1cnc2ccccc21)c1n[nH]c2c1CCC2 12445174 URGNPGAJAIKQLH-UHFFFAOYSA-N 358.405 2.562 0 50 FFAA COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccccc4)ccn3n2)c1 169758206 HSNXVKSFKJGFTH-FQEVSTJZSA-N 361.401 2.905 0 50 FFAA CNC[C@@H]1CCCN(C(=O)CCc2cc(Br)ccc2OC)C1 237171138 LBUZSUZNABNKMX-ZDUSSCGKSA-N 369.303 2.848 0 50 FFAA CC1CCN(C2CCC(NC(=O)NCc3ccc(C(N)=O)cc3)CC2)CC1 122067637 TWZBMOXWPJTSTI-UHFFFAOYSA-N 372.513 2.628 0 50 FFAA O=C(O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)s1 238040893 GYHQONGKSNTFOY-JTQLQIEISA-N 364.810 2.635 0 50 FFAA C/C(=C\c1ccccc1)CN1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 20598745 BOOPSNICNDYEEL-DTQAZKPQSA-N 365.481 2.911 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5ccc(N6C[C@H]7CC[C@H]6C7)cc5)[C@H]1[C@@H]3[C@@H]42 800554448 SYRGZOPAUDTFFV-APYMEIKXSA-N 360.457 2.941 0 50 FFAA CC(C)(C)[C@H]1CC(C(=O)N2CCc3cc(O)ccc3[C@@H]2C2CC(=O)C2)=NO1 1875320894 YXZVWBCUVVWDDU-MOPGFXCFSA-N 370.449 2.988 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)c1 1875368761 NZSSNCCGJYIDND-IQGLISFBSA-N 361.467 2.626 0 50 FFAA Cc1cc(C(=O)N2CCC(n3[nH]c(C4CC4)nc3=O)CC2)c(C)n1C1CC1 1875312911 JSZLIQBVWZIZBE-UHFFFAOYSA-N 369.469 2.679 0 50 FFAA O=C(Cc1cc[nH]c1)N1CC[C@@]2(CCCCN(C(=O)[C@H]3CC34CC4)C2)C1 1875404933 CUNQQKPZAHQKCB-XLIONFOSSA-N 355.482 2.589 0 50 FFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(Cc2ccncc2F)C1 886079696 URGFZIWSMALWED-QAPCUYQASA-N 353.401 2.968 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 888079016 WQFZFECSKJBNGK-BMFZPTHFSA-N 356.388 2.731 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)CCc2ccc(F)cc2F)C1 888076830 KTBFMUNGKDKYSD-NXHRZFHOSA-N 352.425 2.655 0 50 FFAA COc1cc(C(=O)Nc2ccc(F)c(C(C)C)c2)sc1S(N)(=O)=O 2325786683 QIMSQWZOANDMFL-UHFFFAOYSA-N 372.443 2.919 0 50 FFAA Cc1cc(O[C@@H]2CCN(C(=O)NCc3c(C)nc4ccccn34)C2)ccn1 2325826891 PILOMTSDUQZUIX-QGZVFWFLSA-N 365.437 2.709 0 50 FFAA CN(C[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCCN2)C(=O)C1CC1 2325868369 XSMKFTBNCYTJBN-GOSISDBHSA-N 355.482 2.908 0 50 FFAA O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F 2332237313 QIJXGASUNOTLER-UHFFFAOYSA-N 363.820 2.945 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C(=O)O)c3)ccc12 1061009 NLZSPGQQXTYWSD-UHFFFAOYSA-N 353.330 2.817 0 50 FFAA biogenic Cc1cc2c(cc1C(=O)N1CCC[C@]13CCCN(C1CC1)C3=O)OCCO2 2356146965 BYROUJICNJVYPZ-NRFANRHFSA-N 370.449 2.526 0 50 FFAA C[C@@H]1C[C@@H](C)CN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 2861122 WFHMGQBIAFHKDQ-HUUCEWRRSA-N 366.527 2.767 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 4520056 OGXPZAKZKFTJSV-UHFFFAOYSA-N 367.199 2.671 0 50 FFAA Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1O 6703031 PEWKHFWBTWKJOW-UHFFFAOYSA-N 354.435 2.596 0 50 FFAA CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 7310750 ZWQINUNYSDXWMY-UHFFFAOYSA-N 362.451 2.896 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101751454 KFZJFHPYRFJRMO-CWLKWCNXSA-N 354.450 2.781 0 50 FFAA NS(=O)(=O)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 9009967 LAACHSQUSODSFN-UHFFFAOYSA-N 361.448 2.515 0 50 FFAA COc1cccc([C@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)c1OC 9012612 RWWSQUWPUUZVFV-SNVBAGLBSA-N 361.423 2.643 0 50 FFAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610324 ZZTQZUFDUGOPRC-ZDUSSCGKSA-N 372.918 2.797 0 50 FFAA Cn1cc(N2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)CC2)cn1 134333285 LVXUHEHSAVNTAN-INIZCTEOSA-N 355.269 2.583 0 50 FFAA COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)c(OC)c1OC 20706636 FARKWEJAOJEMHB-UHFFFAOYSA-N 356.422 2.561 0 50 FFAA C[C@H](C(=O)N(C)Cc1ccc(Cl)nc1)c1n[nH]c(=O)c2ccccc12 67490891 UWIXMPHOAYCQEU-NSHDSACASA-N 356.813 2.734 0 50 FFAA COc1cc(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)cc2c1OCO2 67856459 VXGPEKVKDZSOIY-UHFFFAOYSA-N 354.366 2.905 0 50 FFAA CCn1cc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)c(C)n1 65394680 JIXOQDHKYLYKDG-UHFFFAOYSA-N 356.470 2.961 0 50 FFAA C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](C(=O)N(C)C)C1 229755958 ORPKXORNZUFNAA-MAUKXSAKSA-N 353.466 2.967 0 50 FFAA Cc1nnc(SCCCNC(=O)c2c(C)nc3sccn23)s1 65397643 DDUFQQYQOYSODM-UHFFFAOYSA-N 353.498 2.776 0 50 FFAA Cc1nn(CC(=O)Nc2ccc(F)cc2)c(C)c1I 1432670 ANQVLDJMARGRCC-UHFFFAOYSA-N 373.169 2.882 0 50 FFAA Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)oc1C 72420350 YGTYJEMRVIAJMA-QFBILLFUSA-N 356.470 2.675 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1nncn1C(C)C 77419066 ZETHWZQGJKGUPO-UHFFFAOYSA-N 366.469 2.863 0 50 FFAA C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 172273584 JHQGRHNNCFAKRS-DGCLKSJQSA-N 367.496 2.576 0 50 FFAA CC[C@H](SC)C(=O)N1CCC[C@H](N(CC)Cc2noc(C)n2)CC1 328633145 LTKDMAZGUMRUIG-GJZGRUSLSA-N 354.520 2.723 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 125938180 AFBYGBLURIMBBW-AZUAARDMSA-N 366.461 2.840 0 50 FFAA CCN1CCOC[C@@H]1c1nc(-c2ccc(Oc3ncccn3)cc2)no1 360331884 BUNYETYYOOBYNE-OAHLLOKOSA-N 353.382 2.712 0 50 FFAA CCc1ccccc1C(=O)NCc1cc2c(nc1OC)CN(CC)C2=O 71753758 MTPAVWVCQFIPKO-UHFFFAOYSA-N 353.422 2.558 0 50 FFAA C[C@H](CN(C)c1cc(-c2ccccc2)nc2ccnn12)N1CCOCC1 72170514 MWYHJWLKGNSVCY-MRXNPFEDSA-N 351.454 2.553 0 50 FFAA COc1cc(Cl)cc(CN2CCC(N3CCCC3=O)CC2)c1OC 71761390 NJHDWPHOLJQKIQ-UHFFFAOYSA-N 352.862 2.944 0 50 FFAA Cc1c(CN(C)c2nc(-c3c[nH]c4ccccc34)nc3c2CNC3)cnn1C 72161639 OERQNMLWWJDQEU-UHFFFAOYSA-N 373.464 2.906 0 50 FFAA Cc1cc(C)c(CN2CCCN(C)C3(CCNCC3)C2)c(-n2cccn2)c1 216220418 YXMWYQQELVTJOO-UHFFFAOYSA-N 367.541 2.749 0 50 FFAA C[C@H]1CN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCN1CC(C)(C)O 333392619 CVVMMOXTHDUQOR-ZVZYQTTQSA-N 363.477 2.558 0 50 FFAA CC(C)N(CC1CC1)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71768029 UEMDLEJZQBXXBJ-KRWDZBQOSA-N 373.497 2.623 0 50 FFAA CO[C@@H]1Cc2ccccc2N(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 282844003 AWIBJLXNNHFNHR-OAHLLOKOSA-N 350.422 2.803 0 50 FFAA Cc1ccc([C@@H]2CCCN2C(=O)c2cn(C3CCNCC3)nn2)cc1C 237983131 CXESGDSSRZISOF-IBGZPJMESA-N 353.470 2.797 0 50 FFAA CCc1[nH]c2c(CNC(=O)c3[nH]nc4c3CN(C)CC4)cc(C)cc2c1C 71711951 FDMXAAPPGFEOPB-UHFFFAOYSA-N 365.481 2.988 0 50 FFAA Cc1ccc(NC(=O)N2CCCO[C@H](C(C)C)C2)cc1S(C)(=O)=O 455027783 WKUJUIXEBIOFBJ-HNNXBMFYSA-N 354.472 2.677 0 50 FFAA CC(C)c1ccc(CCC(=O)NS(=O)(=O)c2ncccc2F)cc1 241383356 MUQCMJNCTDCUDC-UHFFFAOYSA-N 350.415 2.782 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)c(C)c1 72437283 PUMKJAZEVGWCEK-UHFFFAOYSA-N 354.450 2.949 0 50 FFAA Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(CN2CCCC2=O)cc1 131717297 RYTRDURJILYRBV-ZDUSSCGKSA-N 355.438 2.834 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 82136795 PRQCXYJUABEVGP-HXUWFJFHSA-N 358.486 2.676 0 50 FFAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCOCC2)c1 48513700 GAMXAUCEXFXLMP-UHFFFAOYSA-N 353.422 2.518 0 50 FFAA CN(CCCNC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCC1 426500081 KLRGSHUTYICKMI-UHFFFAOYSA-N 358.530 2.778 0 50 FFAA C[C@H](C1CCN(C(=O)CCc2cccc(F)c2)CC1)N1CCN(C)CC1 82120761 VCCNIYUWBAKCML-QGZVFWFLSA-N 361.505 2.633 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCCCSc1ccccc1 426380195 ZQSGRTAVXFPWQH-INIZCTEOSA-N 358.511 2.649 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCCO 82120265 RNPFBKGMYQPACA-IBGZPJMESA-N 350.890 2.927 0 50 FFAA O=C(CCc1cn[nH]c1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426374404 QAMMXPIOHZCDKW-WFXMLNOXSA-N 367.449 2.839 0 50 FFAA CC(C)N1CCC(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 91595586 PNVQQBFBHLWWMT-UHFFFAOYSA-N 370.497 2.532 0 50 FFAA COc1cc(CC(=O)NCc2cnc3c(c2)CCC3)c(C(C)=O)cc1OC 426615591 UKQQJVPEIQGYPX-UHFFFAOYSA-N 368.433 2.649 0 50 FFAA O=C(CCN1CCC[C@@H](c2cccc(C(=O)O)c2)C1)NCc1ccco1 95366196 YADLCZRGADMGTJ-QGZVFWFLSA-N 356.422 2.864 0 50 FFAA CC(C)(C)c1ncc(C(=O)N2CCOc3ccc(Cl)cc3C2)c(=O)[nH]1 91655813 PIXFJQWOPJQKSP-UHFFFAOYSA-N 361.829 2.756 0 50 FFAA O=C(c1cc(Cl)c[nH]c1=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95371014 HXGKPWNSLHOPOQ-NVXWUHKLSA-N 371.868 2.765 0 50 FFAA CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1C 91985536 YOVKIROXTGWXQX-FUHWJXTLSA-N 357.498 2.988 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cnoc1-c1ccccc1 426719842 JUFBEEIACKLPHG-QGZVFWFLSA-N 355.438 2.715 0 50 FFAA O=C(Nc1cc(-n2cnnc2)ccc1F)N1CCC[C@@H](Cn2ccnc2)C1 426477290 WIGXWLCWNWGCJX-AWEZNQCLSA-N 369.404 2.547 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCCCN1CCc3ccccc31)CO2 91952086 NTBVLRLXHFDUON-GOSISDBHSA-N 366.461 2.815 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c(=O)[nH]1 97711665 IUSZKSGXLYXIQT-NRFANRHFSA-N 366.417 2.748 0 50 FFAA COc1ccc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)cc1 92061876 QTWVHJMHPKVMQA-QFIPXVFZSA-N 371.525 2.604 0 50 FFAA Cc1cc2c(cc1NC(=O)N1CCc3ccccc3C1)n(C)c(=O)n2C 96180503 QPDYZPMKVVIHMO-UHFFFAOYSA-N 350.422 2.776 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 95507669 OWTUXDRCJVSXQQ-OAHLLOKOSA-N 365.412 2.880 0 50 FFAA Cc1nc(CN2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)cs1 96164721 VLDFXIUUFMNSIG-UHFFFAOYSA-N 371.514 2.513 0 50 FFAA CCc1cc(C[C@@H]2COc3c(cccc3OC)C2)nc(N2CCOCC2)n1 95499751 ZKFMKFJRMBNKTK-OAHLLOKOSA-N 369.465 2.678 0 50 FFAA COc1ccc(OC[C@@H](O)CN(C)C)c(CN2Cc3ccccc3C2)c1 95508883 ZOBYSPIEMKYXOC-IBGZPJMESA-N 356.466 2.512 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 91769107 YPHGEOJEOVFTNJ-QGZVFWFLSA-N 363.469 2.851 0 50 FFAA Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)c(-n2cnnn2)c1C 253414877 YWIQFEZSDGKLTE-UHFFFAOYSA-N 371.828 2.741 0 50 FFAA O=C(NCc1noc(C2CCCC2)n1)N(Cc1cocn1)Cc1cocn1 534656010 BDRBKCPGGMVUQW-UHFFFAOYSA-N 372.385 2.615 0 50 FFAA O=C(Nc1ccc2scnc2c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 364502455 SIAGTNTUSLPEAZ-GFCCVEGCSA-N 352.419 2.679 0 50 FFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)C2CC2)C3)cc1 299790526 BRONZJSXSGRHMN-INIZCTEOSA-N 371.458 2.587 0 50 FFAA COc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c(C)c1 299762670 OWDRHXBNKHBSRA-UHFFFAOYSA-N 364.453 2.618 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)NCc2nc(-c3ccccn3)no2)c1 827621769 OVZHECYJSGQWEA-UHFFFAOYSA-N 365.393 2.656 0 50 FFAA CN(CCOc1ccccc1)C(=O)NCCc1noc(C2CCCC2)n1 584899219 GFNPPZFTQYHDTD-UHFFFAOYSA-N 358.442 2.990 0 50 FFAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 1565506644 HBTZZPKYEQESQN-FKVLARQCSA-N 350.462 2.730 0 50 FFAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 170624933 JDXLQQHAWIZBFA-NXEZZACHSA-N 371.293 2.873 0 50 FFAA C[C@@H]1CCN(C(=O)NCCc2csc3ccccc23)CCS1(=O)=O 192330081 XDTDTQUDVUROOR-CYBMUJFWSA-N 366.508 2.662 0 50 FFAA CCN1CCN(C(=O)c2ccc(N3Cc4ccccc4C3)cc2)[C@H](C)C1=O 1506399334 DXQWHIVCRSIBRY-MRXNPFEDSA-N 363.461 2.900 0 50 FFAA O=C(NCCc1cn2ccsc2n1)c1cn(CC2CCCCC2)nn1 11663559 CQNHOQPRHGMPEU-UHFFFAOYSA-N 358.471 2.540 0 50 FFAA O=C(Cc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697515 NDFRUBGXTJWARE-UHFFFAOYSA-N 374.448 2.507 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 12074874 PJFHZEGLTBLGHI-MRXNPFEDSA-N 372.852 2.808 0 50 FFAA O=S(=O)(c1cccc2nsnc12)N1CCc2[nH]c3ccccc3c2C1 12323557 ADXZFDFMVSAEPM-UHFFFAOYSA-N 370.459 2.920 0 50 FFAA O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 13552265 SUZQCRUQZIUKHL-UHFFFAOYSA-N 362.389 2.590 0 50 FFAA O=C(CSC1=N[C@H](c2ccccc2)CC(=O)N1)NCCc1ccccc1 18093504 JCBKAYPSAAKGGI-KRWDZBQOSA-N 367.474 2.696 0 50 FFAA CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-c3ccccc3)no2)C1 19865841 QLMRNJFYPPHDBI-AEFFLSMTSA-N 353.422 2.815 0 50 FFAA O=C(Nc1cccc(Cl)c1Cl)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669107 ZRZKUTXIFGYUQD-BJOHPYRUSA-N 359.209 2.948 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(F)ccc3OC)CC2)O1 1857700239 PCHKJUIMIVIBOK-CABCVRRESA-N 351.418 2.759 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H]1O 1857716210 BPTHWWSMHQWFHG-TZIWHRDSSA-N 358.482 2.863 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(Cc4cccnc4)C[C@]34CC[C@H]2O4)CCCC1 1857731953 VOMWSWCAWHPTLR-JZJXAQOMSA-N 369.509 2.758 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)NCC2(N3CCCCC3)CCOCC2)cc1 109981368 NTECBSJIMZDSOV-SFHVURJKSA-N 360.498 2.914 0 50 FFAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1nc2ccccc2n1CCC(C)C 248299225 ZGOQJMIGJOBVHN-QAPCUYQASA-N 359.470 2.581 0 50 FFAA CN(Cc1nccn1C(F)F)S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 913892410 PZNKKXUZLHMPIT-OLZOCXBDSA-N 359.373 2.735 0 50 FFAA O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCc2n[nH]cc2C1 852212817 DWHZXAWIPJVLIL-XHDPSFHLSA-N 369.252 2.607 0 50 FFAA CC[C@H](C)c1cn2c(n1)CN(C(=O)Cn1ccc(C(F)(F)F)n1)CC2 1875296335 QWMKYXRFAQSLMJ-NSHDSACASA-N 355.364 2.654 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 1875371246 UYQQPRHESUYPAR-DOTOQJQBSA-N 362.857 2.665 0 50 FFAA COC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1cnn(C)c1 1875310485 RHKOPOKKIBCUPZ-LLVKDONJSA-N 365.846 2.643 0 50 FFAA Cc1nc2ccccc2c(C)c1C(=O)NC[C@@]12CC[C@@](C(=O)O)(CO1)C2 1875300888 VCNRVKJRQZXCOV-PMACEKPBSA-N 354.406 2.605 0 50 FFAA O=C(c1ccccc1Oc1ccc(F)cc1)N1CC[C@@H](N2CC(O)C2)C1 1875320574 FYZSHDFDIZKKPP-OAHLLOKOSA-N 356.397 2.509 0 50 FFAA CCc1noc(CC)c1CNC(=O)c1c2c(nn1CC)[C@H](C)O[C@H](C)C2 1875313995 BUJPJLKEPXVGLI-NEPJUHHUSA-N 360.458 2.968 0 50 FFAA Cc1ccc2c(c1)[C@@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)CCC2 886085136 CMNCKUPYIMIPBM-JBACZVJFSA-N 354.498 2.767 0 50 FFAA COc1cccc(OCCC(=O)N2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c1 886084977 QIBUIJFXDLJXIN-GUYCJALGSA-N 359.426 2.950 0 50 FFAA COc1cc2c(cc1OC)CN1C(=S)N(c3ccccc3)C(=O)[C@@H]1C2 4721944 PIUWWGQWAZMCLO-HNNXBMFYSA-N 354.431 2.762 0 50 FFAA O=C(N1C[C@H]2C(F)(F)C(F)(F)[C@@]2(Cl)C1)C(F)(F)c1cncs1 2325769906 PCWUVUYKSBSASR-SVGQVSJJSA-N 364.698 2.955 0 50 FFAA COC(=O)c1cnc([C@H]2CCN(C(=O)[C@H]3C[C@H]4[C@@H](C3)C4(F)F)C2)s1 2325770143 IXDXWRPTUAYVFA-XWLWVQCSSA-N 356.394 2.537 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc3[nH]c(=N)oc3c2)C1 2325797973 CTNKPWNMCFNBCC-OAHLLOKOSA-N 364.449 2.834 0 50 FFAA CC1CC(CN2CCN(C(=O)c3ccc(CCN(C)C)cc3)[C@H](C)C2)C1 2325868352 XFYQWNDNSYYEEX-QPIRBTGLSA-N 357.542 2.983 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 2325888330 IPMJBQDGKXTKQT-DOTOQJQBSA-N 360.429 2.922 0 50 FFAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H]1COc3ccccc3O1)CC2 823989 KIMYOWVJMVXTEI-RNODOKPDSA-N 369.417 2.990 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2[nH]c3ccc(F)cc3c2C)CC[C@H]1O 2356147102 HTQZAYUKOBKQCZ-DNVCBOLYSA-N 362.401 2.693 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3CC3COCCOC3)C2=O)cc1 2356149713 SCHGPVJRLIAJRZ-NRFANRHFSA-N 358.482 2.619 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(c2nnc(-c3ccccc3)s2)C1 2356162105 XSEHNSJOTOYJPB-IBGZPJMESA-N 364.478 2.892 0 50 FFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 2876131 JSWZSIJUJWPQSC-UHFFFAOYSA-N 362.451 2.644 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 4694667 HDTRTXWJEHWBAU-UXBLZVDNSA-N 356.197 2.658 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 10302281 ARQVNQDRTQXKAP-SNVBAGLBSA-N 365.282 2.994 0 50 FFAA CCN(CCS(C)(=O)=O)C(=O)N1CCc2c1cccc2C(F)(F)F 225525661 HBEAUCJKMRNNPL-UHFFFAOYSA-N 364.389 2.554 0 50 FFAA CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O 103477309 PZXWZCRCBXEUJH-XJNFMUPTSA-N 350.484 2.536 0 50 FFAA O=C(CC[C@H]1CCCO1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 115157248 AJKFXYNXZIPOTR-UXHICEINSA-N 360.498 2.507 0 50 FFAA CN1CCN(C(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)CC1 20327573 KZHZSMWJRCBHFP-FCHUYYIVSA-N 364.493 2.733 0 50 FFAA Cc1ccc2cc(CN3CCN(c4ccc(Cl)nn4)CC3)c(=O)[nH]c2c1 65410273 GOKBDVPEGWEYNL-UHFFFAOYSA-N 369.856 2.602 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)c1ccc(-n2cnnc2)cc1)N(C)C 65396301 VYSHYYKARGMCFS-MRXNPFEDSA-N 355.467 2.670 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)cc2C)CC1 67629954 NSMYKKGHWQZWRA-HNNXBMFYSA-N 352.500 2.542 0 50 FFAA C[C@H](Nc1nccc(N2CCC(O)CC2)n1)c1ccccc1-n1cccn1 65455176 AGVIJOILHKFMFO-HNNXBMFYSA-N 364.453 2.797 0 50 FFAA Cc1ccc(-c2noc(-c3cnn(CC(=O)NC4CCCCC4)c3)n2)o1 350796801 HETMCNSHBPCWJU-UHFFFAOYSA-N 355.398 2.950 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cn2c3c(cccc3c1=O)CC2 67774106 DOZLTDIBUMYUJD-UHFFFAOYSA-N 364.449 2.850 0 50 FFAA COc1ccnc(N2CCN(C(=O)C(C)(C)c3ccccc3Cl)CC2)n1 171532583 RETSNLGUPLAAKR-UHFFFAOYSA-N 374.872 2.765 0 50 FFAA COc1ccc2nc(NC(=O)c3cnc4sccn4c3=O)sc2c1 32609628 ZVTDQLIDDSIJOP-UHFFFAOYSA-N 358.404 2.627 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@@H]2CCCCO2)CC1 215601287 QRVUUKMXZWWGBA-SFHVURJKSA-N 366.889 2.741 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cc3cccc(O)c3)CC2)OC1=O 72410855 KNMKHBKZGYMNHE-OAHLLOKOSA-N 360.454 2.937 0 50 FFAA COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1OC 5014936 AVLHOQKIXRMMTK-UHFFFAOYSA-N 367.492 2.916 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCCC3)nc2)cn1 328623265 BUSHFQBYRUNILG-AZUAARDMSA-N 355.486 2.908 0 50 FFAA O=C(c1ccc(OC(F)F)cc1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 215413254 IWXQBZSTUDJPJJ-UHFFFAOYSA-N 359.336 2.600 0 50 FFAA CC[C@@H]1CN(C(=O)CCN2CCCC2)CCC(=O)N1Cc1ccccc1 71774992 XZACUULEIGYGFX-LJQANCHMSA-N 357.498 2.512 0 50 FFAA CN1CCN(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 72121626 GOBNLSIGZWUFGV-IRFCIJBXSA-N 357.498 2.506 0 50 FFAA Cc1ccsc1C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 12432581 NETJXHNXKRJARU-CYBMUJFWSA-N 368.480 2.945 0 50 FFAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](c2ccc(F)cc2)C1 481243358 UDDWCOIRORRTLR-CQSZACIVSA-N 363.410 2.775 0 50 FFAA O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CCc2ccccc2C1 126681305 YCMUEXPJBOIHPL-UHFFFAOYSA-N 365.401 2.810 0 50 FFAA COc1ccccc1CCC(=O)N(C)Cc1nc(-c2ccccn2)no1 77505536 XNKVLYWGLJWLFJ-UHFFFAOYSA-N 352.394 2.731 0 50 FFAA O=C(Nc1ccccc1Cl)[C@H]1CN(C(=O)Cc2cccs2)CCO1 72479091 BUONPNZRYODQNP-OAHLLOKOSA-N 364.854 2.810 0 50 FFAA CCOc1ccncc1S(=O)(=O)NC[C@H]1CCCN1C1CCCCC1 333415580 KVNYZZZFHBZTHV-MRXNPFEDSA-N 367.515 2.556 0 50 FFAA Cn1cc([C@H](NC(=O)N2CCC(N3CCCCC3)CC2)C(F)(F)F)cn1 333507373 DPTYLCVRBXLKFZ-HNNXBMFYSA-N 373.423 2.683 0 50 FFAA O=C(NCCN1CCCCC1)c1cc(N2C[C@H]3CC=CC[C@H]3C2)ccn1 71745461 MYXWTWYTQNXZDW-HDICACEKSA-N 354.498 2.700 0 50 FFAA O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cn(C2CCNCC2)nn1 237705021 FQJCQHKRXIHQNT-UHFFFAOYSA-N 359.405 2.525 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccccc1 71764038 WREPPHKDPYXRNJ-MRXNPFEDSA-N 355.413 2.874 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCC[C@@](C)(O)C3)n2)cc1C(=O)O 72480224 BIBDASKRQGRSEP-LJQANCHMSA-N 357.410 2.592 0 50 FFAA CSc1ncc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 72165214 HDXKPERBNFTXEQ-GOSISDBHSA-N 368.506 2.514 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@@H](CN3CCCC3)C2)cc1 72426584 BJISOURDGBGQNZ-FQEVSTJZSA-N 374.525 2.717 0 50 FFAA CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(SCCO)cc1 216111442 YCXYQYBIWXZRRV-UHFFFAOYSA-N 353.447 2.986 0 50 FFAA O=C(CCC1CC1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72152393 FXHRPWMUMVHPLD-ZPMCFJSWSA-N 368.477 2.994 0 50 FFAA CCN1C(=O)CC[C@H](C(=O)N(C)Cc2ccoc2C)[C@H]1c1ccncc1 284728200 VMECGYKENCILRB-PKOBYXMFSA-N 355.438 2.941 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccc2c(c1)OCCO2 82107161 RGVPUZNYFCNPRQ-AWEZNQCLSA-N 357.454 2.960 0 50 FFAA COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c(C)c1 82120142 XHZNZEILIVGZKV-UHFFFAOYSA-N 370.497 2.992 0 50 FFAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3ccc(C(=O)NC)cc3)c2)C1 426493121 FXXDVMMPKBYBBH-LJQANCHMSA-N 365.433 2.998 0 50 FFAA Cc1nc(-c2cc3c(s2)CCN(C[C@H](O)Cn2cccn2)C3)cs1 180882226 HCAPWTPLNAKECQ-AWEZNQCLSA-N 360.508 2.796 0 50 FFAA Cc1ccc([C@H]2SC[C@H]3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1 20606394 XCAROMLUNNSIAQ-GOEBONIOSA-N 358.492 2.785 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426504446 GOHKYNKLCQENPS-OAHLLOKOSA-N 356.426 2.942 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCCN(Cc3ccncc3)CC2)N(C)C)c1 95378480 UXXIFWFSDPKPRS-NRFANRHFSA-N 366.509 2.727 0 50 FFAA Cc1nnc2n1[C@@H](C)CN(C(=O)c1ccc(CN3CCC(C)CC3)o1)C2 96149990 LXBXFIDVOFAYNA-AWEZNQCLSA-N 357.458 2.628 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)Cn2[nH]c3ccccc3c2=O)cc1F 97474875 FNNZIMVBCXDRJO-GFCCVEGCSA-N 357.385 2.745 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95530467 MHALADKLCXQHSA-QGZVFWFLSA-N 369.490 2.681 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)NC[C@H]2CCOc3ccccc3C2)c1C 95386346 BGYKICVKSMOQJI-KRWDZBQOSA-N 369.465 2.850 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[nH]1 97636580 ABBDZXJQGOFVQN-OAHLLOKOSA-N 363.417 2.537 0 50 FFAA CC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1 230486265 XCZVMPXYXZFHMT-LJQANCHMSA-N 367.453 2.877 0 50 FFAA CN(C)[C@@H](CNC(=O)CCc1csc(N)n1)c1ccccc1Cl 96180605 GMTIWDVALZZLFM-AWEZNQCLSA-N 352.891 2.730 0 50 FFAA Cn1cccc1-c1cc(C(=O)N(C/C=C/c2ccccc2)CCO)[nH]n1 91664005 OGKAZFVRZNLVJI-WEVVVXLNSA-N 350.422 2.563 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@H]1c1ccncc1 91859018 QGOBDWVIVQXLGD-ZWKOTPCHSA-N 365.433 2.622 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91876948 NLTUEGAELCWVDE-HUUCEWRRSA-N 366.889 2.515 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCN(c2nsc3ccccc23)CC1 91643943 BMHBFHGHRYLBFU-UHFFFAOYSA-N 369.475 2.968 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 23191886 ANXXTKUNPBWQEC-CYBMUJFWSA-N 350.484 2.930 0 50 FFAA O=C(CCN1CCC(OCc2ccccn2)CC1)NCc1cccs1 244875074 XMFAEEOOYCMRCP-UHFFFAOYSA-N 359.495 2.831 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)CCNC(=O)c1ccccc1F 244724298 MRKLIWCMQXLAKJ-CQSZACIVSA-N 361.442 2.904 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@H](Oc2cccc(F)c2)C1 183689734 UIRZFBGHAXAFLV-SFHVURJKSA-N 370.424 2.956 0 50 FFAA COc1ccc2oc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)nc2c1 534593320 BRKMIOOGFXWMLL-GFCCVEGCSA-N 355.398 2.649 0 50 FFAA COc1c(C)cc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1C 299794021 ITPXRGRBXILYPC-SFHVURJKSA-N 361.486 2.623 0 50 FFAA O=C(Cc1cccs1)NC[C@@H]1CCCN(Cc2cccc3nonc23)C1 827855507 ASFGAVUCMNJSRR-AWEZNQCLSA-N 370.478 2.855 0 50 FFAA COc1ccc([C@H](C)NC(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc1F 584889871 VAGBHMBEOYYPAH-NSHDSACASA-N 361.421 2.911 0 50 FFAA CCCn1ncc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1C 1565530551 VENZOEBGJREXFI-OALUTQOASA-N 357.454 2.706 0 50 FFAA CC(C)(C)n1ccc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)c1 1565514808 UGTKZYZTPOVPPR-ROUUACIJSA-N 357.454 2.742 0 50 FFAA O=C(c1ccc(F)cc1O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704297365 OWMROMZBWUQCKK-VLIAUNLRSA-N 366.392 2.755 0 50 FFAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3cc(C)cc(C)c3)CC2)O1 11783194 AKRLCWZMVDASFR-LJQANCHMSA-N 360.498 2.580 0 50 FFAA CCSc1nnc([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)n1C 12024060 FVJKTALSQHFGHO-LBPRGKRZSA-N 373.482 2.545 0 50 FFAA Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[C@H]2CCCO2)o1 13124848 KLFKZHWJARAKDP-ZCWPUFOUSA-N 354.406 2.654 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1 13331694 BKGCSNQHCNDVDT-INIZCTEOSA-N 356.422 2.648 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccccc3F)C2)nn1 14987045 CSQSLJYYKJIITC-INIZCTEOSA-N 359.449 2.736 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSC)C1 15063879 SKVXBHLBFRHKRK-INIZCTEOSA-N 350.528 2.771 0 50 FFAA CSCC[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(=O)O 206414113 OTVRPAYVXOGAPS-OAHLLOKOSA-N 362.451 2.557 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1cc2occc2[nH]1 1857532743 OPIQIFJJEDHIAB-NHYWBVRUSA-N 355.398 2.691 0 50 FFAA CC[C@@]1(C(=O)NCCn2ccc(C)n2)C[C@@H]2CC[C@H]1N2Cc1cnsc1 1857712866 JNMJRJWZMRLKSB-YQVWRLOYSA-N 373.526 2.598 0 50 FFAA Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC12CCNCC2 328651864 WCLSPODVZWJWSN-GUDVDZBRSA-N 364.493 2.695 0 50 FFAA Cc1nc(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n(C)n1 333861419 RTGBYFORZGKQKI-GFCCVEGCSA-N 368.268 2.829 0 50 FFAA C[C@@H]1CCCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 249796554 XBZZSIYNJFORQU-IAGOWNOFSA-N 362.493 2.683 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 264756260 KLMQWDPCSWNUBQ-HOJAQTOUSA-N 369.509 2.810 0 50 FFAA COC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C)o1 266896829 CNGPAGFVEHKVDF-ZWKOTPCHSA-N 370.449 2.944 0 50 FFAA C[C@@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(O)c1 935116930 FNISWVIFJDDCNL-NVXWUHKLSA-N 352.434 2.661 0 50 FFAA O=C(C(=O)N1C[C@H]2CC[C@H]2C1)N1CCC(c2cccc3[nH]ccc23)CC1 1875272785 SFJBAMDYSNNPSU-IYBDPMFKSA-N 351.450 2.742 0 50 FFAA Cc1sc([C@H](C)N)nc1C(=O)NCc1nc2c(s1)C[C@@H](C)CC2 1875287724 XLSBZGKYMRIVFP-IUCAKERBSA-N 350.513 2.983 0 50 FFAA CCCc1nccn1[C@H]1CCCN(C(=O)[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1875393264 BRSQBQZBJCKGMI-IAOVAPTHSA-N 370.419 2.541 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccccc1Cl 20051475 NDGWMQHHAZCRLM-INIZCTEOSA-N 363.845 2.607 0 50 FFAA Cc1cccc(-c2cccc(CNC(=O)CC3CC(=O)NC(=O)C3)c2)c1 2325779695 YBOLVGZCXBSTHM-UHFFFAOYSA-N 350.418 2.721 0 50 FFAA Cc1ccc([C@H](C)[C@@H](O)C(=O)NC[C@H](C(=O)O)c2cccc(C)c2)cc1 2325851819 KRPHKIDTLCBTFY-ZYSHUDEJSA-N 355.434 2.752 0 50 FFAA COc1ccc([C@](C)(NC(=O)c2ccc3cnccc3c2)C(=O)O)cc1 2325865683 MERLHJWASOOMBQ-FQEVSTJZSA-N 350.374 2.973 0 50 FFAA Cc1ccoc1-c1nc([C@H](O)Cn2cncn2)n([C@H]2CCC(C)(C)C2)n1 2325876147 LOULBQCRIMZGNL-UONOGXRCSA-N 356.430 2.923 0 50 FFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1 754811 HXWWONGNKOSBAL-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCCC2)c(C)c1 802558 SIRJDYZQMALPGN-UHFFFAOYSA-N 352.500 2.635 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(N)n2-c2ccccc2)cc1 1113806 RUXHONAIJAQLNA-UHFFFAOYSA-N 355.423 2.589 0 50 FFAA Cc1cccc(-n2c(SCC(=O)NC3CCCCC3)nc(O)cc2=O)c1 1115709 QJUCWDOQFPFYPJ-UHFFFAOYSA-N 373.478 2.788 0 50 FFAA C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)N1C(=O)c2cccc3cccc1c23 2356137743 XOSGLKLVRBMMOA-YUELXQCFSA-N 366.417 2.948 0 50 FFAA Cc1cc(Cl)cc2c(N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)ccnc12 2356139092 MWYIFDPSYWLZQI-VQIMIIECSA-N 359.857 2.664 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2[C@H]3CCC(C)C)[nH]1 2356141466 CJWFJIPNSYKVHF-NEPXVJNWSA-N 372.513 2.996 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356148865 XKCJRKLQNJELBZ-UHFFFAOYSA-N 355.829 2.636 0 50 FFAA CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F 2900755 UKHLAJXQJIUJMY-OAHLLOKOSA-N 363.332 2.981 0 50 FFAA COc1cc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](O)C4)cc2)c(=N)[nH]c1C 2356165974 MBODINNBGNNXMY-FVQHAEBGSA-N 367.449 2.606 0 50 FFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)nc1O 55359278 VBVUDNNDQFSAKB-GFCCVEGCSA-N 369.343 2.614 0 50 FFAA COc1ccccc1OCCCN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21 101134717 RDBAWPHBAIYDPL-IBGZPJMESA-N 368.433 2.997 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H]1C=C[C@H]2C1 100199262 CITXLFQALSQCDK-VDUILEQBSA-N 365.170 2.603 0 50 FFAA CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 116434553 MZLMKVYEFKKRHS-BBWFWOEESA-N 374.529 2.814 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(Oc2cnccn2)c1 134683686 NUEKEEJGXMGEMC-KRWDZBQOSA-N 365.393 2.897 0 50 FFAA COC(=O)[C@@H](C)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67974237 LGVXFGFHIWIXGG-LLVKDONJSA-N 362.813 2.864 0 50 FFAA CC(C)c1noc(-c2ccc(N3CCN(Cc4ccccn4)CC3)nc2)n1 20854894 AMAVMNSMXUQPDJ-UHFFFAOYSA-N 364.453 2.972 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)n[nH]2)n1 11936713 RKLOHOWNVSFJJH-SFHVURJKSA-N 371.485 2.693 0 50 FFAA CCc1ccc(-n2c([C@H]3CC(=O)N(Cc4ccccc4)C3)n[nH]c2=O)cc1 65418796 VBAWBKPKSWUGNJ-KRWDZBQOSA-N 362.433 2.639 0 50 FFAA CC[C@H]1[C@H](NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)[C@H]2CCO[C@@H]12 1074606160 DNQLKRJINFWSCE-OWLDWWDNSA-N 368.359 2.600 0 50 FFAA CCn1ccnc1CN(C)C(=O)c1coc(COc2ccccc2F)n1 11663079 WDVULXSTFMXZNP-UHFFFAOYSA-N 358.373 2.881 0 50 FFAA CSc1ccc(-c2nc(CN3CCCC(CO)(CO)C3)c(C)o2)cc1 71589716 CECZQRIVXMDOAW-UHFFFAOYSA-N 362.495 2.939 0 50 FFAA Cn1c(SCC(=O)Nc2nncs2)nnc1-c1cccc(Cl)c1 6698838 SABFPWMXTDMSCU-UHFFFAOYSA-N 366.859 2.718 0 50 FFAA O=C(CCCn1cncn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72448527 QUEMUHSUKOGZDX-IRFCIJBXSA-N 368.481 2.737 0 50 FFAA Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCN)C2)[nH]c2ccccc12 72477805 PZKJXQAWSNGVLQ-OXJNMPFZSA-N 354.498 2.638 0 50 FFAA CCCCCC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72425910 VKHGVYQVOUAVER-UHFFFAOYSA-N 360.502 2.908 0 50 FFAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 150729732 ZWLQBSQOZLKANN-GOSISDBHSA-N 356.470 2.845 0 50 FFAA C[C@@H](C(=O)O)[C@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 262539602 RAEMYMUTEXOFLF-VLIAUNLRSA-N 366.417 2.544 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2cnn(C[C@H]3CCCO3)c2)c1 363998490 IGEIMNLDIFYNDK-FZKQIMNGSA-N 356.426 2.704 0 50 FFAA COc1cc(-c2nccn2Cc2cn3c(n2)SCC3)cc2c1OCO2 71753915 IQIXGQLHIXNDCH-UHFFFAOYSA-N 356.407 2.638 0 50 FFAA CC(C)/C=C/C(=O)N1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 12747354 NPKRXVUWDAJAKJ-KOEDOTQGSA-N 363.546 2.770 0 50 FFAA CC(=O)c1cn(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c2ccccc12 77302598 CWQULRIGDPBKPE-OAHLLOKOSA-N 350.422 2.973 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@H](N(C)CCN(C)C)C3)c(C)c2c1 72147093 MLXONSYYBFSDJE-KRWDZBQOSA-N 356.514 2.883 0 50 FFAA CCN(C(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)C1CC1 71761340 FZPNSVRMNBVCPI-LJQANCHMSA-N 370.541 2.769 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)c2c1 77393660 MRFGCNHZQPQWRY-PMACEKPBSA-N 355.482 2.943 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@]1(O)CCCC(C)(C)C1 332364009 SXJZGWMGAZPAEP-GOSISDBHSA-N 360.483 2.970 0 50 FFAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(N2CCN(C)CC2)cc1 77456248 OHBXBHGWUAEWQG-FQEVSTJZSA-N 359.514 2.860 0 50 FFAA COc1ccc(/C=C/CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1 72476639 PDVRLMJVHLLFEK-FZMUQLTDSA-N 369.513 2.778 0 50 FFAA O=C([C@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 262026080 ZMNBFBDSIWXQTO-MAUKXSAKSA-N 370.522 2.747 0 50 FFAA NC1[C@H]2CCC[C@H]1CC(C(=O)N1CCc3c(cnn3-c3ccccc3)C1)C2 262371898 WUIFVAAIPONNMZ-BVRFTUQKSA-N 364.493 2.911 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCCN2CCOCC2)cc1 77392492 WSPXPNBKICUTOC-OAQYLSRUSA-N 373.541 2.914 0 50 FFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 237657783 FGHCEKCYERRBTO-RDJZCZTQSA-N 370.380 2.892 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H](C(=O)O)c1cccs1 448994278 OLXRVAMWTZYJSH-CRAIPNDOSA-N 372.446 2.526 0 50 FFAA COc1cccc(C(=O)NCC(=O)N2CCC(c3ccc(C)nc3)CC2)c1 378635429 UOSOCUCHVLCXGJ-UHFFFAOYSA-N 367.449 2.535 0 50 FFAA C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CCC[C@H]1C 245203959 QHCDKUPMKFYDTA-KEYYUXOJSA-N 364.511 2.953 0 50 FFAA CCCn1c(C)ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)c1=O 46020488 KPVFIJYUNOEEBJ-UHFFFAOYSA-N 372.469 2.998 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1ccc(-c2nccn2C)cc1 426429767 HRZYTXQQRJWKMG-UHFFFAOYSA-N 350.422 2.771 0 50 FFAA COc1cc(CNC(=O)N(CCO)Cc2ccccc2C)cc(OC)c1 426689868 NGDLMSQVGRNXMG-UHFFFAOYSA-N 358.438 2.716 0 50 FFAA CCCN1CCCn2nc(CNC(=O)C3(c4ccccc4F)CC3)cc2C1 82116163 NSKFDSZAQMRYEK-UHFFFAOYSA-N 370.472 2.986 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)NCc1ncc(Cl)cn1 426548602 VDXIYXOJNULJTC-UHFFFAOYSA-N 361.764 2.568 0 50 FFAA CNC(=O)C1(NC(=O)c2cccc(-c3cccc(O)n3)c2)CCCCC1 426438582 JIQHYDDIMKDGIN-UHFFFAOYSA-N 353.422 2.633 0 50 FFAA CN(C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1cccnc1 178594229 HYKTWRWSEQQLIK-AWEZNQCLSA-N 373.840 2.625 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1CCOc2ccccc2C1 95370130 TXOXIXBQXCWOFI-MRXNPFEDSA-N 364.445 2.790 0 50 FFAA Cc1noc(C)c1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95382479 KKKFFIMXWUAYTG-DFQSSKMNSA-N 367.449 2.699 0 50 FFAA Cc1cc(N2CCCN(C(=O)NCc3ccc4c(c3)CCO4)CC2)ccn1 426640321 ARKXLGJHUWUKBH-UHFFFAOYSA-N 366.465 2.747 0 50 FFAA CC1(C)C[C@@H](CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 97446883 QJQSVVSWQVRXGP-NSHDSACASA-N 364.437 2.884 0 50 FFAA O=C(Cn1ccccc1=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 97437016 JQUOQBRZHBSRQU-UHFFFAOYSA-N 364.449 2.815 0 50 FFAA CSCCc1nc(Cc2ccc3c(c2)OCO3)n(C2CCN(C)CC2)n1 95377752 JOVSSEFIHGQGNU-UHFFFAOYSA-N 374.510 2.770 0 50 FFAA CN(C)[C@@H](C(=O)N1CCCN(Cc2ccccn2)CC1)c1ccc(F)cc1 95361689 NIDPDJJTIROXOP-HXUWFJFHSA-N 370.472 2.558 0 50 FFAA Cc1cc(C)n(CCCN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1 23430235 BPRBVGLEPFVJIQ-RTWAWAEBSA-N 368.525 2.559 0 50 FFAA Cc1nn(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)c(C)c1C 97495461 DGWOVWOYIXUZGK-LJQANCHMSA-N 358.461 2.901 0 50 FFAA COc1ccccc1OCc1nc(C2(C(N)=O)CC2)n(C2CCCCC2)n1 95521085 HYBGHNQLYWHJHR-UHFFFAOYSA-N 370.453 2.888 0 50 FFAA COc1ccc(Cc2ncc3c(n2)CN(CC[C@H]2CCCN2C)C3)cc1 244734915 NNYDUXNORKBDTO-GOSISDBHSA-N 352.482 2.876 0 50 FFAA CC(C)Cn1ccc2c(OCC(=O)NCCNc3ncccn3)cccc21 253413358 UORUFIVCCWBKEC-UHFFFAOYSA-N 367.453 2.694 0 50 FFAA CN(C)c1nc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cs1 252510108 ZBLUIKHEBOZXPD-INIZCTEOSA-N 372.494 2.520 0 50 FFAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 261805329 WDRUIFDLBXYNPT-OAHLLOKOSA-N 354.385 2.606 0 50 FFAA CC(C)[C@H](NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1)c1ncnn1C 534657484 WBVBVGQWFVLFQQ-HNNXBMFYSA-N 373.486 2.805 0 50 FFAA Cc1cc(CN(C)C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)no1 299779096 PSNABOCGOHHYFG-KRWDZBQOSA-N 372.425 2.556 0 50 FFAA O=C1CN(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)CCCN1 584890812 YWJRQKVLPCQZIP-INIZCTEOSA-N 357.454 2.745 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCOC2(CCNCC2)C1 952974003 ZFLRZAGMSMZYDW-SFHVURJKSA-N 354.450 2.783 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cccc(Cl)c1 952991177 PNRWGGLGXNGDFC-ZDUSSCGKSA-N 370.902 2.752 0 50 FFAA O=C(c1cc(-c2cccs2)[nH]n1)N1C[C@@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 888088292 HAAMNCAETCKXRY-HEHGZKQESA-N 370.478 2.611 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 952981743 NPKAVKNHFJBTMA-UHFFFAOYSA-N 364.348 2.949 0 50 FFAA O=C(CN1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2)Nc1ccccc1 1565510085 RIZGPHYNLPMCLW-XLIONFOSSA-N 350.466 2.617 0 50 FFAA CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c1 275501542 KJJPHTBJUHBWSR-QGZVFWFLSA-N 371.441 2.547 0 50 FFAA C[C@@H]1C[C@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCO1 271898806 VWBSLCMOLCNPHN-UKRRQHHQSA-N 352.425 2.861 0 50 FFAA O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cn(Cc2ccccn2)nn1 279330719 AUXVLDKFTUSEQY-DOTOQJQBSA-N 365.412 2.927 0 50 FFAA COc1cccc2c1CCCCN2C(=O)[C@H]1CC12CCS(=O)(=O)CC2 274875179 BNUNAUYQOLKSQK-OAHLLOKOSA-N 363.479 2.579 0 50 FFAA O=C(NCCn1cncn1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 726535746 FHTDAASOSICLGY-UHFFFAOYSA-N 358.405 2.561 0 50 FFAA CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 186038342 SIOITUVLOFIVMK-GOSISDBHSA-N 372.490 2.928 0 50 FFAA O=C([C@H]1COc2ccccc21)N1CCC(O)(c2c(F)cccc2F)CC1 186417169 XYWYKZDGSVKVMN-AWEZNQCLSA-N 359.372 2.951 0 50 FFAA O=S(=O)(c1ccc(Cn2cnc3cc(F)c(F)cc32)o1)N1CCCC1 192831156 NFAPYEXEVWITNA-UHFFFAOYSA-N 367.377 2.740 0 50 FFAA Cc1ccc(O)cc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616079052 VNQHUEYCHMVOSB-PXNSSMCTSA-N 352.434 2.599 0 50 FFAA Cn1c(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)cc2c(Cl)cccc21 1704354214 WYABIJGABCATEA-KUHUBIRLSA-N 369.852 2.902 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)on1 1704339215 FUNOMGULTWLFJS-UHFFFAOYSA-N 356.422 2.950 0 50 FFAA COc1ccc2nc(O)c(CN(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)cc2c1 1704300028 XNZZRVOBZXHTKG-UKPHBRMFSA-N 369.465 2.638 0 50 FFAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3[nH]nc4ncccc34)ccc2n1C 1775980332 YSRGYLXTEWXJMB-LLVKDONJSA-N 359.393 2.751 0 50 FFAA CC(C)S(=O)(=O)c1ncc(CN2CCCC2)n1Cc1ccccc1F 11819506 SITHMHDQOIILBM-UHFFFAOYSA-N 365.474 2.848 0 50 FFAA CN(C[C@@H](O)c1ccccc1)C(=O)c1cn(CCCc2ccccc2)nn1 12439116 LKOHCUKKPZMHHS-HXUWFJFHSA-N 364.449 2.717 0 50 FFAA COc1c(F)c(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(F)c1F 14258521 CBSMFLAGBIUDQQ-UHFFFAOYSA-N 355.247 2.674 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 17820878 YDFHINTVXCWWGA-UHFFFAOYSA-N 356.407 2.865 0 50 FFAA O=C1C[C@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1 19536938 DCTWXIXPSIUSDJ-SFHVURJKSA-N 369.852 2.794 0 50 FFAA CC(C)Cc1cc(CNC(=O)[C@]2(Cc3cscn3)C[C@@H]3CC[C@H]2N3)on1 1857667461 UIPCUCSDXLWWDG-IRWQIABSSA-N 374.510 2.699 0 50 FFAA Cc1noc(C)c1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857674855 AJHCGDFBBWZIKA-UHFFFAOYSA-N 350.422 2.933 0 50 FFAA COc1ccc2cc(-c3nccn3CCCN3CCOCC3)c(O)nc2c1 1857683309 UZSFCWOYABENSU-UHFFFAOYSA-N 368.437 2.535 0 50 FFAA CC(C)=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ncccc3C)C2)C1 1857689923 OWFRRZZDUOUCOH-WIYYLYMNSA-N 357.498 2.645 0 50 FFAA Cc1nc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c2[nH]ccc2n1 1857694456 OUTPVVWRQRYTGF-HXUWFJFHSA-N 363.421 2.520 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3ccc(OC)c(F)c3)CC2)O1 1857701609 WWIYNQGDRRMHBR-CVEARBPZSA-N 365.445 2.688 0 50 FFAA Cc1csc(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)n1 112283496 DNGGIEBKZQLTHO-CVEARBPZSA-N 363.527 2.929 0 50 FFAA C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[C@@H](CNc2ccccn2)C1 246184183 VBYUEWHEBQZZGO-WBVHZDCISA-N 356.445 2.659 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 247971905 FUJRKPHFQJPPJN-VAMGGRTRSA-N 369.486 2.968 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc2cccc(C)c2nc1C 247958629 UQLXIBNAWFJVPW-AEFFLSMTSA-N 351.450 2.935 0 50 FFAA CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 461913811 IKTWFOGXZKKUPW-MRXNPFEDSA-N 368.437 2.854 0 50 FFAA NC(=O)[C@H]1Cc2ccccc2N(C(=O)CCc2ccc(OC(F)F)cc2)C1 264881625 UWXGOGDEQVQRTB-HNNXBMFYSA-N 374.387 2.911 0 50 FFAA Cc1cc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)n2nc(C)cc2n1 917695695 BZVQTADVSQIXHT-UHFFFAOYSA-N 364.409 2.882 0 50 FFAA CC(=O)N1CCC[C@@H]1c1nc(-c2cccc(S(C)(=O)=O)c2)cs1 864367530 BHCCTLUQHZJDKB-OAHLLOKOSA-N 350.465 2.897 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)NC[C@H]3CCCc4nccn43)ccc21 1875302787 HKRAZFQMAGRMFP-QGZVFWFLSA-N 364.449 2.656 0 50 FFAA C=CC(=O)NC1(CC)CCN(C(=O)[C@@]2(c3ccccc3)CCCO2)CC1 1875385934 FURPGHCAKKXTAY-NRFANRHFSA-N 356.466 2.766 0 50 FFAA Cc1nc([C@H](C)N2CC[C@@H](CCNC(=O)c3ccc(F)c(C)c3)C2)n[nH]1 1875322869 LETKRNLTNLONFJ-DZGCQCFKSA-N 359.449 2.764 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)C1([C@H]2CCCO2)CC1 1875330774 ZKGORECVGHBQNQ-QRVBRYPASA-N 357.450 2.869 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@@H](C2CC2)[C@H]1c1nnc(O)n1C(C)C 1875401727 QBSHNNURUKWKMP-ZFWWWQNUSA-N 370.457 2.615 0 50 FFAA CC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100053608 VDIZIYFCLMTVGZ-WBVHZDCISA-N 367.792 2.663 0 50 FFAA CC1(C)C[C@H](CC(N)=O)N(c2ncnc3scc(Br)c23)C1 2325790893 SXGMLQLCHGIRGX-QMMMGPOBSA-N 369.288 2.934 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1 20606086 QYBGHJPXPNIRTH-UHFFFAOYSA-N 363.487 2.908 0 50 FFAA CC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 807161 HVGMHOGRDBHYJG-UHFFFAOYSA-N 350.374 2.889 0 50 FFAA aggregator CCOc1ccc(CC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356138197 HVCHEBZWYVBUHL-NRFANRHFSA-N 356.466 2.774 0 50 FFAA CCOc1ccc2nc(O)c(CN3CCC[C@@]34CCCN(C)C4=O)cc2c1 2356139470 YLOFXPAAEYPLQY-OAQYLSRUSA-N 369.465 2.926 0 50 FFAA Cc1cc(=Nc2cccc(N3CCN(C)C3=O)c2)[nH]c(N2CCCCC2)n1 2356154603 BOGHEQIAKSEXAV-UHFFFAOYSA-N 366.469 2.813 0 50 FFAA COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C 2813131 JIRIMIYVDCRDNO-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2F)n1 4840060 YIPBIVLFXSVYMU-UHFFFAOYSA-N 357.794 2.705 0 50 FFAA CNC(=O)c1c(NC(=O)c2c(C)cc(C)n(C)c2=O)sc2c1CCCC2 55052828 QHADLZJBFMLTKQ-UHFFFAOYSA-N 373.478 2.554 0 50 FFAA O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1cccnc1 58575622 RMTHVVMPPIFDSQ-LJQANCHMSA-N 359.495 2.977 0 50 FFAA Cc1ocnc1C(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 112678814 TYVRIFKDLARXNS-NSHDSACASA-N 373.438 2.614 0 50 FFAA Cc1cc2ncn(C[C@@H](O)CN3CC[C@@H](Oc4cccnc4)C3)c2cc1C 246770695 QKNIUMNCZJVGQY-PKOBYXMFSA-N 366.465 2.562 0 50 FFAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23 100630054 AIYVCKRQIPKGLQ-NSHDSACASA-N 367.380 2.678 0 50 FFAA Cc1nnc(CNC2CCN(c3ccc(N4C(=O)CC[C@@H]4C)cc3)CC2)o1 20535846 UCEYCCWWJYSDSX-AWEZNQCLSA-N 369.469 2.652 0 50 FFAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N1CCN(c2ncccn2)CC1 20598257 FVKYXYWZCONXKF-KRWDZBQOSA-N 361.449 2.727 0 50 FFAA Cc1[nH]cnc1CN1CCC[C@@H](Cn2cc(Cc3ccccc3)nn2)C1 23231641 SOQQYIJSNWMCNH-GOSISDBHSA-N 350.470 2.813 0 50 FFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCCCC[C@@H]1c1ccco1 135149603 UKPRILJXKZNYKU-OWCLPIDISA-N 358.438 2.899 0 50 FFAA Cc1nc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c2ccccn12 67678137 FRTSBLXCJZLNFV-QFBILLFUSA-N 365.433 2.722 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@]1(C)CCCNC1 67908907 KTKXJYYCDPBFOO-OAQYLSRUSA-N 352.482 2.724 0 50 FFAA Cc1cc(C)c2[nH]c(=O)c([C@H]3CC(=O)NCc4nc5ccccn5c43)cc2c1 67983302 QVDVDTKHCUOBLY-OAHLLOKOSA-N 372.428 2.944 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)OCC3CC3)CC2)cc1 120409742 VWHFYEQIPKJDCA-OAHLLOKOSA-N 374.481 2.621 0 50 FFAA Cc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cnn(C)c3C)c2C)cc1 2792026 PAERARZZBUHQCZ-UHFFFAOYSA-N 373.482 2.699 0 50 FFAA CCCc1cc(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)nc(C)n1 72167739 OMSDUKKACKBHFR-SFHVURJKSA-N 350.466 2.918 0 50 FFAA C[C@@H]1CCc2onc(C(=O)N(C)Cc3c(Br)cnn3C)c2C1 2805508 OWXQASNPCMFTCQ-SECBINFHSA-N 367.247 2.568 0 50 FFAA C[C@](CO)(CNC(=O)NCCc1ccc2c(c1)CCO2)Cc1ccccc1 252500739 TUUACHNBRRLLSU-JOCHJYFZSA-N 368.477 2.705 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328654976 XXBVGNHITUPPEV-OAHLLOKOSA-N 369.469 2.663 0 50 FFAA CC(=O)NCc1ccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)cc1 479332778 FYQQMQOEWPUCGI-UHFFFAOYSA-N 374.444 2.707 0 50 FFAA COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccnc2S)C1 151461683 YZORJWITXSTOQB-LSDHHAIUSA-N 356.447 2.789 0 50 FFAA COc1c(C)cc(C)cc1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 77390104 FIHDBQBEFSUWAV-NRFANRHFSA-N 360.498 2.509 0 50 FFAA CN(C)Cc1ccccc1CN(C)c1nc(-c2cccnc2)nc2c1CNC2 72162993 QBVPYFMORQTETB-UHFFFAOYSA-N 374.492 2.840 0 50 FFAA C[C@@H](Cc1cccs1)NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 152227155 AZCVVIBZNLSGRA-LSDHHAIUSA-N 359.499 2.780 0 50 FFAA Cc1cccn2c(CC(=O)N3CCO[C@H](Cc4cccc(F)c4)C3)cnc12 71760366 VFYYRCNDXDCLBQ-LJQANCHMSA-N 367.424 2.794 0 50 FFAA CN(CC1CCN(c2ccncc2)CC1)c1nnc(-c2ccon2)s1 367328582 ZYFWPUPIUZNEEU-UHFFFAOYSA-N 356.455 2.941 0 50 FFAA CCc1n[nH]cc1C(=O)N1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 72409723 KRHVCSNGBHUNNJ-HNNXBMFYSA-N 368.485 2.691 0 50 FFAA Cc1cccc(C(=O)N2CCc3[nH]c(-c4cccc(CO)c4)nc3C2)c1O 222370985 JUJFTFWIRYGWGC-UHFFFAOYSA-N 363.417 2.782 0 50 FFAA CCn1ncc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)c1C 82091846 UPLRBQSARKOWNZ-UHFFFAOYSA-N 373.482 2.550 0 50 FFAA COc1ccc(CNC(=O)N(C)Cc2noc3c2CCCC3)cc1OC 426548900 WPAPBALLBUKZCJ-UHFFFAOYSA-N 359.426 2.912 0 50 FFAA CO[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)c1ccccc1 91381528 SHNXRTZWXMWBKC-GOSISDBHSA-N 365.433 2.800 0 50 FFAA CCn1ncc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)c1C 97772818 HJWPXAMZGSMTMC-UHFFFAOYSA-N 374.460 2.577 0 50 FFAA CN(CC(=O)O)C(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 95515327 AARQVSLXUIPQFA-UHFFFAOYSA-N 366.461 2.763 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1O)N(C)C 92062442 PHEUGDIYOLSMQC-ZDUSSCGKSA-N 362.499 2.882 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCC[C@@H]2O 91848998 DMKJBHHQMBDPME-HNNXBMFYSA-N 357.372 2.780 0 50 FFAA O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc2[nH]c(=O)oc2c1 97480464 UPQAPPWHHGMDHB-OAHLLOKOSA-N 366.421 2.765 0 50 FFAA CCC(CC)CN1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 22752180 BKTXTIKEOLZGDI-UHFFFAOYSA-N 361.515 2.684 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)C2)c1 95368198 HNNZDHDAXAFYSG-LJQANCHMSA-N 358.413 2.727 0 50 FFAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)c2cc(O)n[nH]2)C1 91435226 JFHLUDCYOUYIOJ-OAHLLOKOSA-N 369.400 2.884 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccn3)CC2)no1 244719019 LVFBOIKRBBLDFV-GOSISDBHSA-N 368.437 2.594 0 50 FFAA COCc1noc([C@@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)n1 181510904 LXUWVBHQGIMWML-LLVKDONJSA-N 356.879 2.810 0 50 FFAA COc1ccc2sc(C(=O)N(CC(=O)O)C3CCOCC3)c(C)c2c1 299753749 ZFKDZOKUOZDMHT-UHFFFAOYSA-N 363.435 2.924 0 50 FFAA Cc1ccc2nc(CCNC(=O)N3CC(N4CCCC[C@@H]4C)C3)[nH]c2c1 534676291 XFVDOTVPMMZONI-HNNXBMFYSA-N 355.486 2.682 0 50 FFAA Cn1cc(C(=O)N2CC(=O)Nc3ccccc3[C@H]2c2ccccc2)ccc1=O 65456742 VPKBENNQRSSCEX-OAQYLSRUSA-N 373.412 2.569 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)no1 299766739 FDDIWHHHCZYCQS-MRXNPFEDSA-N 351.410 2.643 0 50 FFAA CCc1cccc(C)c1N1C[C@@H](C(=O)N(CC)C2CCOCC2)CC1=O 299768608 LLEZRVACSKLUEY-KRWDZBQOSA-N 358.482 2.938 0 50 FFAA COc1cc(NC(=O)N(CCC(N)=O)CCc2ccccc2)ccc1C 299802923 SFWNRRMGLBJTEH-UHFFFAOYSA-N 355.438 2.956 0 50 FFAA COc1ccc(-c2cccc(C(=O)N(Cc3cnn(C)c3)C(C)C)c2)nn1 299760074 QLOLPZMXBSWXKG-UHFFFAOYSA-N 365.437 2.937 0 50 FFAA Cn1ccnc1SCC(=O)N1CCC[C@@H](COc2ccccc2F)C1 299754857 ACWPIYSQTBRCDE-CQSZACIVSA-N 363.458 2.969 0 50 FFAA CN(Cc1cnc2ccccc2n1)C(=O)c1ccccc1N1CCOCC1 823640450 FMGXUWHHOYVWPP-UHFFFAOYSA-N 362.433 2.739 0 50 FFAA Cc1nc(-c2ccc(CN3CCCCC3)cc2)n(C[C@@H]2COCCO2)n1 670469942 BUDAUYUXTOIOPD-LJQANCHMSA-N 356.470 2.655 0 50 FFAA CCn1c(C)cc(C)c(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1=O 952968572 PELRJIVBNRUZJG-UHFFFAOYSA-N 367.449 2.558 0 50 FFAA O=C(c1onc2c1CCCC2)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565514742 KEVNUEQKKUSROV-HIFRSBDPSA-N 372.494 2.747 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc2c(c1)OCCO2 1565507077 REAKWSFQIUCQAC-PXNSSMCTSA-N 369.417 2.562 0 50 FFAA O=C(NCCCc1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)C(F)(F)F 170600684 UWJSBSCFNMFELT-OAHLLOKOSA-N 367.371 2.770 0 50 FFAA O=S(=O)(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N1CCCCCC1 170646536 ICIBPTBWZRUMJO-GOSISDBHSA-N 366.483 2.619 0 50 FFAA CCc1[nH]c(C(=O)N2CCC[C@@]2(CO)CC(C)C)c(C)c1C(=O)OC 170609962 NJLZMFIDFZXSPM-IBGZPJMESA-N 350.459 2.685 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(Cc2ccncc2)CC1 190436351 QSIKHXMQWTYOIB-PMACEKPBSA-N 369.513 2.772 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 191050124 GURGZXWYVSKASG-HXUWFJFHSA-N 354.406 2.526 0 50 FFAA C[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 191853179 AGFAMQCVMZNLJV-MRXNPFEDSA-N 357.475 2.712 0 50 FFAA O=C1CC[C@@H](NC2CCN(C3CCSCC3)CC2)CCN1CC1CC1 1506423358 WFPOVLRSOHVMDY-QGZVFWFLSA-N 365.587 2.727 0 50 FFAA CCCn1cnnc1[C@H](C)NS(=O)(=O)c1cc(C)c(F)cc1Cl 1506419466 CJJDCVCICZJNSP-JTQLQIEISA-N 360.842 2.829 0 50 FFAA O=C1C[C@@H](c2nnc3n2Cc2ccccc2OC3)CN1Cc1ccccc1 1772817950 KHSFVZYCRDENJP-QGZVFWFLSA-N 360.417 2.735 0 50 FFAA Cc1cccn2ncc(C(=O)NCCSCc3ccc(CN(C)C)o3)c12 1772703092 ZIRGXQVEZBTJSM-UHFFFAOYSA-N 372.494 2.961 0 50 FFAA Cc1ncc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1C 11935556 DGGOFJGGCRURGP-OAQYLSRUSA-N 370.472 2.882 0 50 FFAA CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(c3ncccn3)CC1)n2C 12652692 UFLPJXFFWXFBAK-UHFFFAOYSA-N 363.465 2.802 0 50 FFAA COCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 12712070 MVUXMWUMDZITLG-IBGZPJMESA-N 368.433 2.938 0 50 FFAA COc1ccc(CCNC(=O)CC[C@]2(Cc3ccco3)CCC(=O)N2)cc1 14888717 ZOSGVILFAHEVAG-OAQYLSRUSA-N 370.449 2.619 0 50 FFAA O=C1CC[C@@H](CCNCc2ccccc2)N1C[C@@H]1COc2ccccc2O1 14992311 OAQXEIVHZMHDPV-RBUKOAKNSA-N 366.461 2.997 0 50 FFAA O=C1Nc2c(-c3ccc(Cl)cc3)cnn2C[C@@H]1CC(=O)N1CCCC1 16626329 UEKWYGPGJFWOIF-ZDUSSCGKSA-N 358.829 2.784 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cccc(OC)c3OC)C[C@H]12 1857695517 MTIQREFGWPQQSS-DNUAJFIVSA-N 373.449 2.777 0 50 FFAA O=C(CCOc1ccccc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857731782 OUSPVOKYDYKGKL-SVFBPWRDSA-N 366.461 2.786 0 50 FFAA Cc1ccc(N2CCCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)nn1 115372114 LQFXVWKRNCAPRK-UHFFFAOYSA-N 354.429 2.695 0 50 FFAA CCc1cc(NC(=O)c2oc3ccccc3c2CS(C)(=O)=O)n(C)n1 116083894 PLRAIUPGUCJQAK-UHFFFAOYSA-N 361.423 2.526 0 50 FFAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21 1875392183 WRNDXLVTJNDQAL-BIYBGRMPSA-N 372.266 2.741 0 50 FFAA CCn1nc(C(=O)N2CCC[C@]23CCC[S@](=N)(=O)C3)cc1C1CC1 1875395708 JLJQASDOFGUBGQ-OSPHWJPCSA-N 350.488 2.596 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(OC4CCC4)ccn3)nn(C)c21 1875404094 UQHMCXLRMOKGMA-OLZOCXBDSA-N 370.453 2.699 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2c(F)ccc(F)c2F)C3)n1 888098080 CQJWVZQQIZQWGR-BTDLBPIBSA-N 351.328 2.989 0 50 FFAA COc1cccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1OC 8016778 YPRNOIQGOZLJES-GFCCVEGCSA-N 370.405 2.995 0 50 FFAA O=C1C[C@@H](c2nnc3n2Cc2ccccc2CC3)CN1Cc1ccccc1 2100557694 ZUYOSVHITAWWGS-LJQANCHMSA-N 358.445 2.941 0 50 FFAA Cn1cc(CNCc2cn3cccc(Br)c3n2)c(C2CC2)n1 2325774311 HPOMLDCMMCMADH-UHFFFAOYSA-N 360.259 2.998 0 50 FFAA Cc1[nH]nc2c1C[C@H](NCc1cnc3ccc(Br)cn13)CC2 2325788465 IDZLIFCJULSVMB-GFCCVEGCSA-N 360.259 2.775 0 50 FFAA COc1c(C(=O)N[C@H]2C[C@@H](CC(=O)O)C2(C)C)cnn1-c1ccccc1 2325812720 BMUKSCLCXIHKFX-WFASDCNBSA-N 357.410 2.500 0 50 FFAA COc1ccc(-c2cn(Cc3cc4ccc(F)cc4nc3O)nn2)cn1 2325860594 MJIYPGMDDBFDOB-UHFFFAOYSA-N 351.341 2.790 0 50 FFAA C=CC(=O)Nc1cccc(CC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1 2325894321 WKKASFURUZESSW-KRWDZBQOSA-N 363.417 2.596 0 50 FFAA CCOC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 800324 LUXOKFALCRJLER-UHFFFAOYSA-N 354.834 2.798 0 50 FFAA C[C@@H](Cc1ccccc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1165939 CDFKODQOSCJQFR-HNNXBMFYSA-N 350.418 2.810 0 50 FFAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 2865368 FBVNPSFBODNCJW-CQSZACIVSA-N 352.390 2.758 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](OC)C2)cc1Cl 105620718 YWCHRUNBBNVBOF-SECBINFHSA-N 354.255 2.802 0 50 FFAA COc1ccc(NC(=O)CN2CCC(c3nnc4ccccn34)CC2)cc1 67442594 QQQRPABSZYDWPV-UHFFFAOYSA-N 365.437 2.556 0 50 FFAA C[C@](O)(C(=O)NCc1cccnc1-n1cnc2ccccc21)c1ccccc1 67514431 ZGDIHXLRPKOHGK-JOCHJYFZSA-N 372.428 2.944 0 50 FFAA Cc1cccc(N(CC(=O)NCc2cc3ccccc3[nH]2)S(C)(=O)=O)c1 67821574 VYWPDFQPPPSIRW-UHFFFAOYSA-N 371.462 2.559 0 50 FFAA O=S(=O)(c1cccnc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65455539 OBIMHJBJPCERJK-VQTJNVASSA-N 368.458 2.774 0 50 FFAA C[C@@]1(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1(Cl)Cl 20472603 FCZKAHXXTPNQEC-INIZCTEOSA-N 371.264 2.643 0 50 FFAA Cc1cc(CN2CCC(n3cc(CN4CCCC4(C)C)nn3)CC2)n[nH]1 23214691 UXDAFMNHJGGSPH-UHFFFAOYSA-N 357.506 2.521 0 50 FFAA CC(C)C[C@H]1CN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC[C@@]1(C)O 67742494 HGQGEQUDKABGEU-RNODOKPDSA-N 360.429 2.926 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 229703889 RWESWTILJDMCSG-JXXFODFXSA-N 353.470 2.980 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC(OCCN(C)C)CC3)cc2)n1 77471022 GNLCITZVCZSHCU-UHFFFAOYSA-N 370.497 2.672 0 50 FFAA CCNc1nc(C)cc(NCCNC(=O)Nc2ccc(F)cc2F)n1 72117568 BSDSCHXXMDBEJF-UHFFFAOYSA-N 350.373 2.729 0 50 FFAA CC(C)c1cccc(OCC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c1 363491642 WAQJZPNCWUUDFW-YSIASYRMSA-N 360.498 2.899 0 50 FFAA CC(C)C[C@@H](C(=O)Nc1cc(-c2ccccc2)[nH]n1)N1CCCCC1=O 435675350 LGCQARGNBZGPPL-KRWDZBQOSA-N 354.454 3.442 0 50 FFAA COc1cc2c(cc1CNc1ccnc(C(=O)NC(C)C)c1)OCCO2 72165045 WPIOLCWVLSCCIW-UHFFFAOYSA-N 357.410 2.612 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN(CC2CCOCC2)CC1 172464042 FDMKBASWUUYZAH-UHFFFAOYSA-N 370.415 2.819 0 50 FFAA Cc1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c2ccccc2n1 172414824 PSTPGPAIEBAOQA-KRWDZBQOSA-N 353.466 2.614 0 50 FFAA C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)c2cccnc2O1 158482092 QJICKZKTTVCNDA-HNNXBMFYSA-N 365.433 2.748 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCCN(Cc2cccnc2)C1 219399642 IYSRFPSMSNMFSA-MRXNPFEDSA-N 359.857 2.764 0 50 FFAA CCc1nccn1[C@H]1CCCN(C(=O)NCCc2ccc3c(c2)CCO3)C1 172466893 BDAWBQDNIOHHKY-SFHVURJKSA-N 368.481 2.970 0 50 FFAA Cc1nc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)co1 72428334 HLSJILIRYMVEDH-UHFFFAOYSA-N 371.437 2.849 0 50 FFAA C[S@](=O)C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1ccccc1 130073822 IUSYBLXNUNBFGH-MRDQGFSESA-N 369.450 2.509 0 50 FFAA CC(C)OCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72472825 QRIRWGLAACPGKG-OAQYLSRUSA-N 358.482 2.843 0 50 FFAA C[C@@H](NC(=O)CN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)[C@H]1C[C@H]2CC[C@H]1C2 332719503 KJMXMRQMWRXVQZ-OTCXFQBHSA-N 368.525 2.981 0 50 FFAA CCOc1ccc(-c2ccnc(NCC3CCNCC3)n2)cc1C(=O)O 72479198 IIWXIERRKNHTRQ-UHFFFAOYSA-N 356.426 2.652 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc1-n1cnnn1 333214258 KPZDVDBRWDBOKJ-FCIKYMEBSA-N 368.441 2.571 0 50 FFAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 378390912 VXKUQYJFMPSGGD-UXHICEINSA-N 356.441 2.982 0 50 FFAA CCCc1ccc(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cc1 72161133 HDRQKYRWUCQLQU-UHFFFAOYSA-N 374.444 2.983 0 50 FFAA O=C(NCC1(O)CCCCC1)c1cn(Cc2cccc3ccccc23)nn1 72120887 QCBUTVNKSPZQNW-UHFFFAOYSA-N 364.449 2.905 0 50 FFAA Cc1cccc(N2CCC(NC(=O)CN(C)Cc3cccnc3)CC2)c1 219325717 CACMJMMKBTUAOF-UHFFFAOYSA-N 352.482 2.607 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 237626778 JAQZHGORXSIPGD-WCQYABFASA-N 352.360 2.843 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2cn3c(C)cccc3n2)C1 284945749 VONCUXUIVRPHMF-CVEARBPZSA-N 352.442 2.600 0 50 FFAA CCc1nc(CN2CCN(CCCc3nc4ccccc4o3)CC2)no1 174842313 HECYKGIUUQBEEA-UHFFFAOYSA-N 355.442 2.524 0 50 FFAA CS(=O)(=O)c1cc(C(=O)NCc2cccc(OC(F)F)c2)ccc1F 242304988 YTVBRYDRBRULGX-UHFFFAOYSA-N 373.352 2.761 0 50 FFAA CCCNc1ncc(CN2CCC3(CC2)Nc2ccccc2NC3=O)cn1 82134726 HJNRWDBZVGMPPO-UHFFFAOYSA-N 366.469 2.697 0 50 FFAA Cc1nc2cc(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)ccc2s1 220663154 NQOOYSGDCJQDQZ-QEORTHHSSA-N 356.451 2.580 0 50 FFAA Cc1cc(C)n(CCCC(=O)NCCc2noc(-c3ccccc3)n2)n1 221358776 OULDXDWYSXCOPM-UHFFFAOYSA-N 353.426 2.689 0 50 FFAA COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(F)c1 222644582 MNOHBRQMYOCKQJ-MOPGFXCFSA-N 359.397 2.938 0 50 FFAA CC(C)Cc1cc(CNC(=O)Nc2cccc(Cn3cncn3)c2)on1 426662066 GWXYNFVUNZGTSH-UHFFFAOYSA-N 354.414 2.835 0 50 FFAA Cc1ccc(CN(CCO)C(=O)NCc2ccccc2CN(C)C)cc1 426715816 CTUMUJNNYSZNEW-UHFFFAOYSA-N 355.482 2.761 0 50 FFAA CC(C)N1CCC[C@@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O 177691834 QFVXJYFECDNQHW-HXUWFJFHSA-N 369.509 2.687 0 50 FFAA O=C(NCc1ccncc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 45051226 ULEPIPKPYJELRZ-UHFFFAOYSA-N 373.478 2.576 0 50 FFAA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3cnn(C)c3)C2)CC1 20543088 OUETVAQFVQOTHQ-FQEVSTJZSA-N 353.514 2.515 0 50 FFAA C[C@H](O)c1ccc(-c2cccc(C(=O)NCCCn3ccnn3)c2)cc1 426472963 PPDKVOOGKDWGJP-HNNXBMFYSA-N 350.422 2.819 0 50 FFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@H]3CCCC[C@@H]3C1)C2=O 239297045 DPRSGOWJHHDXSX-NLDJYOPPSA-N 361.486 2.526 0 50 FFAA CC(C)(C)n1nc(COc2ccccc2)nc1C[C@H]1C=CS(=O)(=O)C1 95528581 YPSROSSQZBFBLA-CQSZACIVSA-N 361.467 2.713 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](c3ccnn3CC(=O)O)C2)cc1Cl 426442891 JSCXWBHMDPZDOU-AWEZNQCLSA-N 361.829 2.949 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c(c1)OCO2 91411942 LOLMMXQXTYROME-UHFFFAOYSA-N 365.389 2.638 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCN(Cc2ccco2)CC1 95384813 BRHLPYZRHXNVIG-UHFFFAOYSA-N 356.470 2.752 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N(C)[C@@H](C)c3ccon3)CC2)c1 95354066 LOOHRXKFFCURJP-KRWDZBQOSA-N 356.470 2.715 0 50 FFAA CN1C[C@]2(CCCN(C(=O)Nc3ccnn3-c3ccccc3)CC2)OC1=O 97137589 KWXYNMZNBQXFQD-LJQANCHMSA-N 369.425 2.711 0 50 FFAA CC(C)(C)Nc1ccc(-c2noc(C[C@@H]3CCCS(=O)(=O)C3)n2)nc1 293107076 GOQSMSBVVPDISP-LBPRGKRZSA-N 364.471 2.709 0 50 FFAA Cc1nc2ccccn2c1CC(=O)NC1CCN(Cc2ccco2)CC1 97532820 DHELRXBBVXKAOC-UHFFFAOYSA-N 352.438 2.559 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)OC(C)C)CC1 91645015 MMURNSIQHZYXSW-UHFFFAOYSA-N 360.462 2.576 0 50 FFAA O=C(Nc1ccnn1C1CCCC1)N[C@H]1CCCN(c2ncccn2)C1 96139271 GKZAKWCYFLUHQI-AWEZNQCLSA-N 355.446 2.579 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cn(C)c3ccccc23)[C@H]2C[C@@H](O)C2)cn1 252540317 PCRAEARTFREJJR-QEEYODRMSA-N 365.433 2.824 0 50 FFAA Cn1c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nc2c(Cl)cccc21 184413299 MTPKWZVNISIWLC-MRVPVSSYSA-N 374.750 2.576 0 50 FFAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCN1CCOCC1 253408171 KLVUEXAGSFOBGT-SFHVURJKSA-N 361.873 2.569 0 50 FFAA CN(C)C1(CNC(=O)N2CC(Oc3cccc(Cl)c3)C2)CCCC1 534670172 YFLRRDFKCFQRCE-UHFFFAOYSA-N 351.878 2.987 0 50 FFAA O=C(c1ccccc1)N1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72454179 DYYOJQIDQDYOHO-UHFFFAOYSA-N 365.389 2.859 0 50 FFAA Cc1ccccc1-c1noc(CNC(=O)[C@H]2CC(=O)OC23CCCCC3)n1 299763128 YRAWFOYIYZSHPW-OAHLLOKOSA-N 369.421 2.927 0 50 FFAA CSc1ncccc1C(=O)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 299786887 UNFXWUOFISNTTA-OAHLLOKOSA-N 357.479 2.904 0 50 FFAA CCCc1ncncc1C(=O)NCC1CCN(Cc2ccc(C)o2)CC1 299758325 ODWCFUIAFGZXJR-UHFFFAOYSA-N 356.470 2.973 0 50 FFAA Cc1nn(CCNC(=O)N2CCC(OCc3cccnc3)CC2)c(C)c1C 584899215 UBSSAWBKQGDQFY-UHFFFAOYSA-N 371.485 2.594 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)CCc2n[nH]c3c2CCCC3)c1 670444956 SOQTXXBTDMYDTF-UHFFFAOYSA-N 354.454 2.675 0 50 FFAA Cc1c(C(=O)NCCc2nc(-c3cccnc3)no2)n[nH]c1-c1ccccc1 670464164 VSDLVWXWMRYMHC-UHFFFAOYSA-N 374.404 2.803 0 50 FFAA NS(=O)(=O)c1cc2c(s1)CCN([C@H]1CCc3c(F)cccc31)C2 1333622102 JRMRGCLSTQVIGW-AWEZNQCLSA-N 352.456 2.580 0 50 FFAA CCc1nccn1CCC(=O)NC[C@H](c1cccnc1)N1CCCCC1 952972586 QBFKEXYQHHMMBC-GOSISDBHSA-N 355.486 2.574 0 50 FFAA CC(C)[C@H](NC(=O)Nc1cn(Cc2ccccc2)nn1)C(=O)OC(C)(C)C 170609556 JTLVMEDQUMGIBW-INIZCTEOSA-N 373.457 2.814 0 50 FFAA COC[C@@H]1CN(C(=O)NCc2ccccc2OC2CCCC2)C[C@H](C)O1 187357605 SRKLTROPUMBUPG-YJBOKZPZSA-N 362.470 2.953 0 50 FFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1613881830 IVZZJERSNOSQLV-ICSRJNTNSA-N 365.477 2.787 0 50 FFAA COc1ccc(C[C@H](C)NC(=O)c2cc3c(cn2)OCCC3)cc1OC 1337560372 NRVVCROKNXHJNH-ZDUSSCGKSA-N 356.422 2.785 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)c2nc(CC(C)C)no2)cc1Cl 1506404652 ZQPJIGCMFVIAGM-JTQLQIEISA-N 373.862 2.970 0 50 FFAA CO[C@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 1529153662 TYXGKGBGUXBRDZ-BEFAXECRSA-N 374.412 2.801 0 50 FFAA CCOc1ccccc1CN(C(=O)C[C@H]1C[C@H](C)NC(=S)N1)C1CC1 216414704 SOVRSXIDNCQALZ-DZGCQCFKSA-N 361.511 2.591 0 50 FFAA Cc1ccc(C)c(OCC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c1C 1772700825 IVTYSQFQKDXTAF-IBGZPJMESA-N 366.461 2.560 0 50 FFAA CCC[C@H](Oc1ccc(Cl)cc1)C(=O)N(CCO)Cc1ncc[nH]1 1772707349 YKLSMPMKQUOMHZ-HNNXBMFYSA-N 351.834 2.632 0 50 FFAA O=C1CN(C(=O)CCCc2ccc(F)cc2)C[C@H](Cc2ccccc2)N1 1772710122 OLXBKOYVHYBPEN-IBGZPJMESA-N 354.425 2.718 0 50 FFAA Cc1cc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)c(C)c(CN2CCCC[C@H]2C)c1 1772804821 VHENZQBYNJZGMW-YHYVQYDKSA-N 372.553 2.710 0 50 FFAA CCOC(=O)[C@@H]1NN=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 5205456 IZHJEBWJDHBXHA-SJLPKXTDSA-N 352.390 2.553 0 50 FFAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccc(CO)o2)CC1 11821350 ICSSPVUCCHSOFS-UHFFFAOYSA-N 373.497 2.528 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1 12373175 AKOFUELOUZRIPV-FMQWLBJXSA-N 358.467 2.510 0 50 FFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(C)=O)CC2 14741440 VOZVXLFRWBJJLB-UHFFFAOYSA-N 355.438 2.597 0 50 FFAA Cc1cc(C)c(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)c(-n2cccn2)c1 1857685151 DAWJOTJLOVFMKK-SFHVURJKSA-N 369.465 2.802 0 50 FFAA Cc1cn2cccc(C(=O)N3CCC4(CC3)C[C@H](O)C[C@H](C(C)C)O4)c2n1 1857697046 ILPCVUXFCRSFMG-SJLPKXTDSA-N 371.481 2.813 0 50 FFAA C[C@]1(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC12CCNCC2 1857703473 RCHWYCBVGWBCAB-JOCHJYFZSA-N 367.537 2.816 0 50 FFAA O=C1CCCCN1CC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 118677007 WZLMQHBVRGMVKW-UHFFFAOYSA-N 369.387 2.965 0 50 FFAA COc1ccc(Cl)c2c1N(C(=O)C[C@H]1CCCS(=O)(=O)C1)CCC2 333823868 JNMKOTAOLSZYKY-GFCCVEGCSA-N 371.886 2.843 0 50 FFAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3ccoc3)CC2)N1 12041492 KQBMMZJTFAFOGP-NRFANRHFSA-N 367.449 2.703 0 50 FFAA Cc1nccnc1N1CCN(C(=O)N[C@@H](c2ccccc2)C(F)F)CC1 455639236 FLZYJEZNMLNRFQ-HNNXBMFYSA-N 361.396 2.623 0 50 FFAA CNC(=O)c1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 365832170 VIQVFAWJYLFSAR-QFIPXVFZSA-N 352.478 2.863 0 50 FFAA CCc1nnc([C@H]2CN(C(=O)NCc3ccc(Cl)s3)CCO2)o1 370499373 LUXSZTIYIHCHLF-SNVBAGLBSA-N 356.835 2.630 0 50 FFAA O=C(O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 263583270 ZRZJNOVNRLRKPL-UHFFFAOYSA-N 351.406 2.865 0 50 FFAA Cc1ccc(CCCC(=O)N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 952889128 VQASUJFDRDAVTR-RBUKOAKNSA-N 358.482 2.589 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2CCN(c3cc(CC4CC4)ncn3)[C@H]1C2 1875408413 VYDCGADXLYPUKR-UZJLFSMRSA-N 354.498 2.949 0 50 FFAA COc1ccc2c(c1C)CC[C@H]([C@@]1(O)C(=O)N(C)c3ccccc31)C2=O 854542 WVAPPHWKUCYWNX-HRAATJIYSA-N 351.402 2.613 0 50 FFAA Cc1nc([C@H]2OCC(=O)N[C@@H]2c2ccccc2)n(CCc2ccccc2)n1 2100477585 BVRNZMYOMUWDQY-UXHICEINSA-N 362.433 2.758 0 50 FFAA CCc1nc(C(C)C)ccc1C(=O)NCC1(NC(=O)[C@H](OC)C2CC2)CC1 2325794172 TVUWPGBFXXNODQ-GOSISDBHSA-N 373.497 2.571 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1 816380 DCRWLEHCRIDBNK-UHFFFAOYSA-N 351.332 2.850 0 50 FFAA CN(C)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 824495 MUZJIRJAHZIGSH-UHFFFAOYSA-N 352.843 2.624 0 50 FFAA COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1OC 869546 JZWXDRGVKLPEBL-UHFFFAOYSA-N 355.843 2.878 0 50 FFAA COc1cccc(OCC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 55403790 NWMPOQBFCFDTTK-LJQANCHMSA-N 356.422 2.677 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 50028847 WWAANNSLJIPDFS-IBGZPJMESA-N 367.449 2.875 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccnc2)C[C@H]1CCO 107100571 XBDXTRNDJIQALC-HXUWFJFHSA-N 355.482 2.549 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 2804876 ZAMOCVFZFJZMMD-UHFFFAOYSA-N 365.846 2.726 0 50 FFAA COc1cccc2c1OCCCN(c1ncc(C)c(-c3cnn(C)c3)n1)C2 20542124 HCMRHEWXRQXYPR-UHFFFAOYSA-N 365.437 2.983 0 50 FFAA COc1ccccc1N1CCC[C@@H](Nc2ccc(C)c(C(N)=O)c2)C1=O 117377297 FPGSDRRUYLQRKJ-MRXNPFEDSA-N 353.422 2.710 0 50 FFAA COCc1cc([C@@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OC 65492837 VXCIHBBMYNOKHE-HNNXBMFYSA-N 351.406 2.641 0 50 FFAA O=c1/c(=C/c2c[nH]nc2-c2cccs2)sc2nc3ccccc3n12 1075697 DDJYWZCBVCLZRV-ZSOIEALJSA-N 350.428 2.909 0 50 FFAA Cc1cc2nc(C(=O)N3CCCN(CC4CC4)[C@@H](C(C)C)C3)cc(C)n2n1 71708186 QEFATKSPUBYMPS-LJQANCHMSA-N 369.513 2.929 0 50 FFAA CC[C@H]1CN(C(=O)c2nn(C)cc2Cl)CCC(=O)N1Cc1ccccc1 71747497 JKFZVLXOMJWELV-HNNXBMFYSA-N 374.872 2.727 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 72145860 IGPYIECIJMBUBE-MRXNPFEDSA-N 356.397 2.674 0 50 FFAA Cc1nc(CNc2nc(-c3ccncc3)nc3c2CNC3)nc2c1CCCC2 72171634 CALJCXUICPRSPH-UHFFFAOYSA-N 373.464 2.731 0 50 FFAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 6402904 CEBDDTUXEMWSNC-UHFFFAOYSA-N 355.463 2.977 0 50 FFAA COCCCS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 122302970 YTDNWMUEHLWHSK-ZWKOTPCHSA-N 374.462 2.634 0 50 FFAA COc1cc([C@@H](C)NCc2cccnc2N2CCN(C)CC2)ccc1F 153264483 FCTPIOPEVGKAJN-OAHLLOKOSA-N 358.461 2.832 0 50 FFAA O=C(CN1CCCCCC1=O)N1CCC([C@H](O)CCc2ccccc2)CC1 77374952 ZXROJCLSWPFEMZ-HXUWFJFHSA-N 372.509 2.621 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3ccc(CSC)o3)CC2)cc1 30899740 VLLDJKMEXYUFAY-UHFFFAOYSA-N 374.462 2.749 0 50 FFAA CCc1n[nH]cc1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 72128972 AEYKYOKYFWTQAU-HMXCVIKNSA-N 364.493 2.983 0 50 FFAA COCCc1noc(CNc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72436299 PIWULTLSDFTDIJ-UHFFFAOYSA-N 364.409 2.889 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)Nc1ncc(C2CCNCC2)s1)C(C)C 262052390 MUBYJKNGAUFILY-INIZCTEOSA-N 366.531 2.736 0 50 FFAA O=C([C@H]1Cc2ccccc2O1)N1CCC(O)(Cc2ccccc2F)CC1 373343081 GVUUWCZUKGBPME-LJQANCHMSA-N 355.409 2.725 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(-c3cnn(C)c3)nc2)cc1 71479511 KIRUQAIGCCTBMS-UHFFFAOYSA-N 350.422 2.853 0 50 FFAA C[C@@H](C(=O)N1CCN(C)c2ccc(F)cc21)n1nnc(-c2ccccc2)n1 174732352 YHHUKQCUMAGNSG-ZDUSSCGKSA-N 366.400 2.523 0 50 FFAA COc1ccc([C@H](NC(=O)CCc2ccccc2F)C2CC(O)C2)cn1 223120387 STVVEOJNNBHRLJ-PMTKGXAQSA-N 358.413 2.790 0 50 FFAA O=C([C@H]1CCN(c2ccccc2F)C1)N1CCC(Nc2cccnn2)CC1 290173564 FHCCBGQROUYSFV-HNNXBMFYSA-N 369.444 2.545 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 82121280 IUPQFJUHZVMGDS-SFHVURJKSA-N 369.509 2.825 0 50 FFAA O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 176793277 ZTGZYNJVXLNSGY-UHFFFAOYSA-N 364.804 2.989 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1CN1CCOCC1 82160951 MBXBXIQVNHOSPU-SFHVURJKSA-N 368.481 2.712 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC(=O)N(c2ccc(Cl)cc2)C[C@@H]1C 82134252 RBHNVVUBUWSJCS-LBPRGKRZSA-N 360.845 2.893 0 50 FFAA CCOc1ccc2nc(-c3cn([C@H](C)c4nnc(N)s4)nn3)ccc2c1 91434746 UCXPQTNNPVHYGP-SNVBAGLBSA-N 367.438 2.935 0 50 FFAA Cn1c(=O)cc(C(=O)N2CC(OCc3ccccc3F)C2)c2ccccc21 426604682 XXLQWQLKLHFKEE-UHFFFAOYSA-N 366.392 2.719 0 50 FFAA COc1cc(CN(C)C)ccc1OC[C@@H](O)CN1CCCCCCC1 95506260 DNECSQJRIOIPDS-SFHVURJKSA-N 350.503 2.763 0 50 FFAA Cc1nc(-c2c(-c3ccccc3)ncn2[C@H]2C[C@@H](C(=O)O)N(C)C2)co1 91620558 HRXJIHIKUNKYFV-HOCLYGCPSA-N 352.394 2.843 0 50 FFAA CCOCCN1C[C@H](c2ccccc2)[C@@H](NC(=O)CCC(F)(F)F)C1 91663413 NYIXYOHBBIDKEL-CVEARBPZSA-N 358.404 2.950 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@H]1CC(=O)N(Cc2cccnc2)C1 95521842 ZZJCIKVDGWVHNS-HNNXBMFYSA-N 369.490 2.687 0 50 FFAA CNC(=O)c1cc2c(s1)CCN(C(=O)c1c[nH]nc1-c1ccccc1)C2 91876788 QRWZDNLOXPNNDK-UHFFFAOYSA-N 366.446 2.696 0 50 FFAA O=C(CCCn1ccnc1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91906677 PLACVLLEOGACDV-NRFANRHFSA-N 372.513 2.837 0 50 FFAA CC/C=C/CC(=O)N1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 97743506 VJHDEWZDHAIWOP-YADGQWAMSA-N 371.525 2.861 0 50 FFAA CC(C)=CCCN1C[C@H](C2CC2)[C@@H](NC(=O)C2(Cn3ccnc3)CC2)C1 91645723 UOXKTLAYONXWFA-MOPGFXCFSA-N 356.514 2.846 0 50 FFAA Cc1ccc2nc([C@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)[nH]c2c1 91624592 UNVQZUVSXTZGEU-LBPRGKRZSA-N 374.404 2.920 0 50 FFAA CC[C@@H](COC)NC(=O)c1ccc(-c2cc(C(N)=O)ccc2OC)cc1 534646488 FRAHNLKATHDMGV-INIZCTEOSA-N 356.422 2.616 0 50 FFAA COc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]32)cn1 1076097265 SQKIFOUQXVPKPF-HIFRSBDPSA-N 354.410 2.708 0 50 FFAA COCCc1noc([C@H](C)NC(=O)Nc2cc(C)nn2C2CCCC2)n1 299776728 KYSJRCLMTJVOOX-LBPRGKRZSA-N 362.434 2.761 0 50 FFAA C[C@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCOCC1 299761626 MBCVHDIHTKGIIA-CQSZACIVSA-N 361.417 2.598 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H](c1cccnc1)N1CCCC1 299787943 ZCGHKHYAWMQDRH-LJQANCHMSA-N 367.428 2.593 0 50 FFAA NC(=O)Cc1cccc(NC(=O)N2CCCN(C3CCCCC3)CC2)c1 299769548 NZNJEZISVMPJBJ-UHFFFAOYSA-N 358.486 2.587 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cc4ccccc4[nH]3)cc2C1 299785110 IRJGKJMZJREZKT-UHFFFAOYSA-N 351.454 2.910 0 50 FFAA COc1ccc2cc(C(=O)Nc3cccnc3OC)sc(=O)c2c1OC 824852822 YUDSYSVZTFGEMX-UHFFFAOYSA-N 372.402 2.935 0 50 FFAA COc1ccc2[nH]c(CNC(=O)[C@@H](C)Sc3nc(C)cc(O)n3)cc2c1 824758532 JEZSORPAALSBBW-LLVKDONJSA-N 372.450 2.778 0 50 FFAA CSc1ccc(-c2nc(C3(C(N)=O)CC3)n(-c3cccc(C)n3)n2)cc1 824935541 SIKNBTHNUSBPOK-UHFFFAOYSA-N 365.462 2.877 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)c(OC)n1 824845858 WOLQPPJMTHEQGB-ZDUSSCGKSA-N 361.467 2.555 0 50 FFAA O=C(c1ccc(CSc2nc[nH]n2)o1)N1CCO[C@H](c2ccccc2)C1 952977861 PFOKBJMLMGGBHH-INIZCTEOSA-N 370.434 2.904 0 50 FFAA CC(=O)c1ccc(-c2ccc(C(=O)NCCCn3cccnc3=O)o2)cc1 408516646 LGEILBJDPIQSPL-UHFFFAOYSA-N 365.389 2.526 0 50 FFAA CC1=C(C(=O)NCc2oc3ccccc3c2C)[C@@H](C)n2ncnc2N1C 192216326 GDQGUZRVDPYVSP-CYBMUJFWSA-N 351.410 2.934 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506406036 FBZOWEOSHSZAMH-OAQYLSRUSA-N 372.432 2.788 0 50 FFAA Cc1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(N2CCCC2)nn1C 1529102177 ZSCFSYDGVSFARG-AWEZNQCLSA-N 371.416 2.532 0 50 FFAA O=C(Cc1cccs1)N1CCCN(Cc2ccc3c(c2)OCCO3)CC1 1775983719 SBKPBCIPEHXYKJ-UHFFFAOYSA-N 372.490 2.796 0 50 FFAA CN(CC1(CO)CCC1)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772814378 VSJCANDVHSQMAK-HNNXBMFYSA-N 371.506 2.931 0 50 FFAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1 12195255 RMBIYJIELGPWHM-UHFFFAOYSA-N 369.469 2.669 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccco1 12471398 XUTSTVDSYGKQDZ-INIZCTEOSA-N 350.378 2.709 0 50 FFAA O=C(C1CCOCC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12746353 LRYQSGRVJRVLGB-OAQYLSRUSA-N 374.456 2.593 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc21 15243608 BUHWAMQIBVTYPW-UHFFFAOYSA-N 352.362 2.675 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCN(c2ccc(O)cc2)CC1 19771249 ZJTMGCYLIZIOQI-INIZCTEOSA-N 357.479 2.841 0 50 FFAA CCOc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CCCC2 169752833 OHQDMOGZUGEVKO-UHFFFAOYSA-N 356.422 2.522 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)O1 1857699975 GZLQFRYWXIDLIE-SJLPKXTDSA-N 365.445 2.762 0 50 FFAA COCCN1CC2(CCN(Cc3ccc(Cl)s3)CC2)OCCC1=O 1857712842 VEROSUFFRSWGEG-UHFFFAOYSA-N 372.918 2.631 0 50 FFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(c2ncnc3sccc23)CC1 1857738290 APGLXZYUWFSQRS-UHFFFAOYSA-N 353.451 2.980 0 50 FFAA O=C(CCCOc1ccccc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875250873 NNDPUJAKIMZDQU-FPOVZHCZSA-N 355.434 2.807 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@H]2CCN(Cc3ccccn3)[C@H]2C1 222205730 JAKAYSRRSYHYIC-PBHICJAKSA-N 366.421 2.549 0 50 FFAA CC(C)C[C@H](C)Oc1cc(CNC(=O)N(C)Cc2cnn(C)c2)ccn1 111501723 YKCIJZAPPXJRMR-HNNXBMFYSA-N 359.474 2.970 0 50 FFAA O=C(NCCc1csc(N2CCCC2)n1)c1c(F)ccc(O)c1F 242389686 ZZOZIHILSHJKIR-UHFFFAOYSA-N 353.394 2.700 0 50 FFAA CC(C)CCn1ncc(C(=O)NCC2CCS(=O)(=O)CC2)c1C(C)C 242324454 ZBLIVIYEGOVZOB-UHFFFAOYSA-N 369.531 2.607 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 874568999 GROSORZLUXQPIK-IUODEOHRSA-N 370.371 2.671 0 50 FFAA COC(=O)c1ccc2ccccc2c1OC[C@@H]1C[N@@]1Cc1cnn(C)c1 1875384989 KPAVOJGPWFPOAR-QMHKHESXSA-N 351.406 2.623 0 50 FFAA C=CC(=O)N(Cc1c(C)nn(-c2ccc(F)cc2)c1C)C[C@H]1COCCO1 1875324759 LXENXKFRYMDBQN-SFHVURJKSA-N 373.428 2.558 0 50 FFAA CNC(=O)c1ccc(NC(=O)c2cncc(-c3ccccc3F)c2)nc1 1875311333 VEJXZXRUMHROBL-UHFFFAOYSA-N 350.353 2.895 0 50 FFAA CC(C)(C)c1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC23CC3)c1 1875407124 SZBPMCZLINCQGJ-JYJNAYRXSA-N 353.466 2.605 0 50 FFAA Cc1c(C(=O)N(C)c2nc3c(s2)C[C@@H](C(F)(F)F)CC3)nnn1C 2325766616 GITCUZMYDXXPBV-QMMMGPOBSA-N 359.377 2.524 0 50 FFAA Cc1ccc(C)c(OCCCOC(=O)c2cncc(-n3ccnc3)n2)c1 2325781132 NVVSQEDENYVSOR-UHFFFAOYSA-N 352.394 2.905 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccc(Br)s2)C1 2325888579 HKYKDDUWMWANEX-NSHDSACASA-N 371.300 2.894 0 50 FFAA O=C(O)[C@@H](F)C1CN(C(=O)c2ccc(Br)cc2Cl)C1 910135734 NLKHVAAREVUPJG-JTQLQIEISA-N 350.571 2.597 0 50 FFAA COc1ccc(C(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc1 866318 QLKHAVNSVORSQK-UHFFFAOYSA-N 357.431 2.922 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 2299321 OQRCSIPSXKXADA-UHFFFAOYSA-N 367.188 2.977 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCC(=O)N3CCCC3)ncnc21 2356148153 JUANQUMIBJNTFW-UHFFFAOYSA-N 358.490 2.859 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 4158604 SQWOTGDXXGRDLO-HZPDHXFCSA-N 362.838 2.952 0 50 FFAA C[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)NCCc1ccncc1 225857693 HCCKDICDOOCFBS-RDTXWAMCSA-N 370.474 2.703 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)C1 112251798 WTPFBGFZSLJVJF-MAUKXSAKSA-N 364.461 2.994 0 50 FFAA c1cc(CN(CCN2CCOCC2)Cc2ccco2)cc(-n2cccn2)c1 55387351 QEECOUXVFPNVMP-UHFFFAOYSA-N 366.465 2.800 0 50 FFAA O=C(CCc1cc(O)no1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65396956 AVVRTMDHMXYORY-RBUKOAKNSA-N 366.417 2.843 0 50 FFAA Cc1cccc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)n1 20912915 BJTBLFPDKYXERM-BANKROOTSA-N 351.454 2.593 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1cccc2ccccc12 247740124 NGRSXZOYHFXQNO-CGTJXYLNSA-N 353.418 2.755 0 50 FFAA C[C@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCOCC1 20454223 JESGIRNSRWKZPE-MRXNPFEDSA-N 356.470 2.669 0 50 FFAA C[C@@H](NC(=O)Cn1ccnc1-c1ccccc1)c1cn2ncsc2n1 65385094 GUUXZLGOPNOJCG-GFCCVEGCSA-N 352.423 2.532 0 50 FFAA CCn1cc(-c2nnc(SCC(=O)O)n2[C@H](C)c2ccccc2)cn1 67433548 ZUYRSZJEXVCMRZ-GFCCVEGCSA-N 357.439 2.948 0 50 FFAA CCNC(=O)[C@H]1CCN(Cc2cccc(C(=O)Nc3c(C)noc3C)c2)C1 67886324 KFBFFYATOIQOHZ-KRWDZBQOSA-N 370.453 2.502 0 50 FFAA Cn1c(=O)oc2c(C(=O)N3CCC(Nc4ccccc4F)CC3)cccc21 124121261 LBTPSNAUSOJIJD-UHFFFAOYSA-N 369.396 2.987 0 50 FFAA C[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)CN1Cc1ccccc1 329857089 YVKBOQSAQMLWDY-KXBFYZLASA-N 372.490 2.658 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Cl)cc1-n1cccn1 252498442 RCFATUHUHPGZTJ-LBPRGKRZSA-N 373.844 2.658 0 50 FFAA C[C@](O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 1388598 HWRDHSZEAKDATE-INIZCTEOSA-N 353.827 2.503 0 50 FFAA O=C1COc2ccc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2N1 4053864 RMMPTHXQBCSLEC-UHFFFAOYSA-N 370.384 2.511 0 50 FFAA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(-c3ccco3)cc1)C2 218910592 UJVZMBWTTYHLBP-LJQANCHMSA-N 353.422 2.575 0 50 FFAA Cc1nscc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328652684 WPMMJUSLMAYORF-RYUDHWBXSA-N 354.476 2.593 0 50 FFAA Cc1ccc(OC2CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CC2)cc1 77299571 QOBFQWSNLFYDRL-KRWDZBQOSA-N 358.482 2.869 0 50 FFAA CC1CCN(C(=O)CCNC(=O)c2cccc(CCC(C)(C)O)c2)CC1 72456892 FEHNORDKEOMVPM-UHFFFAOYSA-N 360.498 2.769 0 50 FFAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CCC(=O)N(C2CC2)C1 15070160 VOOXFSMFFZDMEM-ZDUSSCGKSA-N 354.372 2.765 0 50 FFAA Cc1sc2ncnc(N3CCC(C(=O)O)(n4ccnc4)CC3)c2c1C 72433544 QZYSOUXTOARJES-UHFFFAOYSA-N 357.439 2.585 0 50 FFAA COc1cc(N[C@@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)cc(OC)c1 155110877 OZNLMQOVXZDKIR-QGZVFWFLSA-N 369.465 2.879 0 50 FFAA Cc1nc2sccn2c1CN1CCN(Cc2ccccc2)[C@H](CCO)C1 39380267 QYNBWCXZZJHPJF-GOSISDBHSA-N 370.522 2.773 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3nn[nH]c3c2)C[C@H]1c1ccc(Cl)cc1 366355407 PKPXTWNKRJKBEW-UONOGXRCSA-N 370.796 2.552 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@@](C/C=C/c2ccccc2)(C(=O)O)C1 71730230 JUYQDTBGCSVJMW-FAZYEBOESA-N 366.417 2.785 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77408360 ZLZUKFYKKYFWNE-INIZCTEOSA-N 362.445 2.846 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 127963955 MSUDVXVOVFTXSY-MRXNPFEDSA-N 351.410 2.983 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1c(Cl)nc2ccccn12 238038438 WIJBNQULJNBTKP-CYBMUJFWSA-N 355.781 2.639 0 50 FFAA Cc1nn(C)c(C)c1C[C@@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 174842149 MVPPUEUNAAZQMM-LLVKDONJSA-N 374.466 2.837 0 50 FFAA CN1CC[C@@H](CNS(=O)(=O)CCCC(C)(C)C)[C@@H]1c1cccnc1 377868569 JKQBFZAEGMBVJO-IRXDYDNUSA-N 353.532 2.820 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCc1cnn(Cc2ccccc2)c1 46700857 WISGYBVUOBZANR-UHFFFAOYSA-N 351.454 2.531 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(F)F)nn1-c1ccc(F)cc1 286839989 ZHSJVRWKFBIHDX-AWEZNQCLSA-N 353.344 2.816 0 50 FFAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17076638 ZAQVOIXDPXEAFA-NEPJUHHUSA-N 374.462 2.735 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 223095935 FRAOCRBCDOCDBI-GOSISDBHSA-N 366.845 2.592 0 50 FFAA Cc1cccc(C[C@@H](C)NC(=O)N2CCN(C3CCSCC3)CC2)n1 426444825 APTISEKLLXFQQP-MRXNPFEDSA-N 362.543 2.544 0 50 FFAA CCC(=O)Nc1ccc(C)c(NC(=O)NCc2noc([C@H]3CCCO3)n2)c1 426428774 LZCVZVJKNURWBK-CQSZACIVSA-N 373.413 2.900 0 50 FFAA COc1cccc(OC2CN(C(=O)CCn3cnc4ccccc43)C2)c1 82107231 GDYOUDFWEYBBLC-UHFFFAOYSA-N 351.406 2.725 0 50 FFAA CCCc1c(C(=O)N(C)[C@@H]2CCNC2)nnn1-c1ccc(C(C)(C)C)cc1 179052390 BZAXXQFCJOEUHX-QGZVFWFLSA-N 369.513 2.951 0 50 FFAA NC(=O)c1ccc2[nH]c(CN3CCCC[C@H]3c3cccnc3)cc(=O)c2c1 92037659 XALWRBDWDFZDHT-IBGZPJMESA-N 362.433 2.749 0 50 FFAA O=C(NCCN1CCc2ccccc21)C1CCN(Cc2ccco2)CC1 95390831 KNPMMUUVPUPRCE-UHFFFAOYSA-N 353.466 2.671 0 50 FFAA O=C([C@@H]1CCCO1)N1CCCN(Cc2c(Cl)ccc(O)c2Cl)CC1 97776290 NSOOYFKCLWDJRV-HNNXBMFYSA-N 373.280 2.912 0 50 FFAA c1cnn(Cc2ccc(CN3CCCO[C@H](CN4CCCC4)C3)cc2)c1 97528888 FATZZTLCZPXCRF-OAQYLSRUSA-N 354.498 2.618 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CCN(c2ccc(F)c(Cl)c2)CC1 97474949 VYEPWZIDCCZZBC-UHFFFAOYSA-N 350.825 2.874 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3c(c1)CCC3)C2 91781878 XBQKKFTVNZLYMJ-OXJNMPFZSA-N 364.493 2.943 0 50 FFAA CCn1cnnc1[C@H](C)NC(=O)N(CCOC)Cc1ccccc1Cl 426523239 TXHPFTOBMCOKFV-ZDUSSCGKSA-N 365.865 2.871 0 50 FFAA C[C@@H](NC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1)C1=CCCCC1 96162443 WUOQGNFZMVQDNX-CYBMUJFWSA-N 366.487 2.915 0 50 FFAA Cc1ccc(N(C)C)cc1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 426588965 KCJXZIKOQCKRBG-SFHVURJKSA-N 370.428 2.905 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1=O 91737826 FCYZFIVUZBCXGG-OAHLLOKOSA-N 361.461 2.511 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cncn2Cc2ccccc2)C[C@H]1c1ccccn1 91780988 GQDNMSJXTNXSGT-RTBURBONSA-N 362.433 2.627 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CN1CCO 91289579 IXCNNTBNBLNFPC-UHFFFAOYSA-N 370.415 2.902 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95352352 OOUOTNMPWCXDJF-SFHVURJKSA-N 355.438 2.994 0 50 FFAA CN1CCO[C@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 96166524 VVTKJKXQGQJJIW-MRXNPFEDSA-N 366.421 2.947 0 50 FFAA COCCCN1CCC[C@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1=O 91526734 ACLPHCJMOLKJIC-OAQYLSRUSA-N 370.449 2.924 0 50 FFAA COCc1cn(C[C@@H]2CCCN(C(=O)Nc3cc(F)ccc3F)C2)nn1 23581480 MYWYDJXZZFCGIX-GFCCVEGCSA-N 365.384 2.647 0 50 FFAA CC(C)c1nnc(N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)s1 91439955 DILXAMLRVUEOGI-GOSISDBHSA-N 364.515 2.659 0 50 FFAA Cc1ccccc1[C@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)N(C)C 95373224 LLSFAJKMRIHMIW-GOSISDBHSA-N 365.437 2.701 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N[C@H](CC)c2nc(C)c(C)s2)CC1 244678451 IDFRLMVIZAZCRR-OAHLLOKOSA-N 367.515 2.602 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 534666982 PUBXYBUEHPSSOD-GFCCVEGCSA-N 350.426 2.578 0 50 FFAA CC(C)c1n[nH]c2c1CN(C(=O)c1ccc(-c3nc(=N)cc[nH]3)cc1)CC2 534654400 KCFDJBDSXVVCAQ-UHFFFAOYSA-N 362.437 2.601 0 50 FFAA Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c(F)c1 299789808 FUCSPSVPHUPRPU-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA COCc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)o1 299765830 BWRVNGLWUOEGOJ-OAQYLSRUSA-N 374.481 2.590 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)c2c3c(nn2C)CCCC3)s1 299782607 NGFRLZXKEXAOFN-UHFFFAOYSA-N 360.527 2.873 0 50 FFAA Cc1cc2cc(NC(=O)NC[C@@H]3CCCN(S(C)(=O)=O)C3)ccc2o1 299755371 HZEOVPLFSAVETJ-ZDUSSCGKSA-N 365.455 2.534 0 50 FFAA COc1cc(C)ccc1CN1CCn2nc(CNc3ncccn3)cc2C1 299796662 NMIWNOIKOUNSOZ-UHFFFAOYSA-N 364.453 2.618 0 50 FFAA COC(=O)c1ccc(-c2cccc(C(=O)N3CCCNCC3)c2)cc1OC 584897789 BPUARFUGZYAATO-UHFFFAOYSA-N 368.433 2.584 0 50 FFAA O=C(c1cnccn1)N1CCC(N2CCOc3ccc(Cl)cc3C2)CC1 952986961 CGARZTBTCMXGNZ-UHFFFAOYSA-N 372.856 2.629 0 50 FFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)c2cnc(N(C)C)nc2C)c1 952971627 FMRAAGHXAGOOKV-UHFFFAOYSA-N 371.441 2.706 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952966167 UJZQPPIZSAEBMR-IBGZPJMESA-N 370.359 2.636 0 50 FFAA CCc1cccc(C)c1NC(=O)CN1CCC[C@H]1c1nc(N(C)C)no1 170619488 IQNVFCBZKZWYFQ-HNNXBMFYSA-N 357.458 2.782 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)NCc1nccn1C(F)F 170687224 WXFWVJQRRYJSLO-UHFFFAOYSA-N 364.331 2.602 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@]12CCCc1ccccc12 170644236 XREQOOJLGKMTIA-JXFKEZNVSA-N 368.506 2.855 0 50 FFAA O=C1C[C@H](c2ccccc2)N(C(=O)[C@H]2CCOc3ccccc32)CCN1 170842383 XVGVRFGXFQFIPV-ZWKOTPCHSA-N 350.418 2.643 0 50 FFAA CCc1cc(C(=O)N[C@H](CC)[C@@H](O)c2c(F)cccc2F)cc(O)n1 778389940 KRGQDGAEGWJUBY-RHSMWYFYSA-N 350.365 2.870 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)NC(c2ccccc2)c2ccccc2)C1 1506397932 ZGCSAPKIDYCTJT-KRWDZBQOSA-N 374.506 2.969 0 50 FFAA COc1cccc(SCC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1704350837 QDFFLHPALMNYLK-CRAIPNDOSA-N 358.463 2.556 0 50 FFAA CN(C(=O)c1csc(-c2ccccc2)n1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704344865 PRZWRIQUKJIXGR-QLFBSQMISA-N 355.463 2.797 0 50 FFAA COC(=O)c1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 822644 ISKPPQDXBINHQW-RIYZIHGNSA-N 351.314 2.546 0 50 FFAA O=C1CCCCN1Cc1nc(-c2c[nH]c3ccccc23)nn1[C@@H]1CCOC1 1772818491 GPWFGYAWORBCEP-CQSZACIVSA-N 365.437 2.900 0 50 FFAA COc1nccnc1N1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 1772819120 FFTQSXDXRUTQAP-QGZVFWFLSA-N 366.465 2.644 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1 1772702497 KJVNSHNOFHTQTD-DOTOQJQBSA-N 364.511 2.803 0 50 FFAA O=C(O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 5555176 AAMMHGXIMZVDDB-ZDUSSCGKSA-N 370.224 2.553 0 50 FFAA CCN(C(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1 5625421 JEVATQGIECOSGL-UHFFFAOYSA-N 366.446 2.977 0 50 FFAA COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)c1OC 15063777 VBRFNPLXWFUVMX-KRWDZBQOSA-N 369.465 2.741 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)o1 19731238 BBVKNNQYECPDMP-KRWDZBQOSA-N 350.409 2.935 0 50 FFAA Cc1cccc(-n2ccnc2CN2CCC[C@H](N3CCC(CO)CC3)C2)c1 19839603 FYVXIPIFEBKQLN-NRFANRHFSA-N 368.525 2.849 0 50 FFAA CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860659 KJQMNQLBVPUKKO-OAHLLOKOSA-N 372.918 2.654 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)c2ccc(F)cc2n1 1857690205 WHPFDQLMJHYQNO-MRXNPFEDSA-N 372.396 2.636 0 50 FFAA Cn1cccc(CN2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)c1=O 1857701116 PMVIXFDJAHFIQK-VQTJNVASSA-N 368.477 2.633 0 50 FFAA OC[C@]1(Cc2ccc(F)cc2)CN(c2cnc3ccccc3n2)CC[C@@H]1O 1857720067 CJOWGANEPXMQGK-FPOVZHCZSA-N 367.424 2.561 0 50 FFAA CN1CCO[C@@H](Cn2ccnc2-c2cccc(OCc3ccccn3)c2)C1 1857727041 IVFBTFVNOUXBFE-HXUWFJFHSA-N 364.449 2.855 0 50 FFAA COc1cc(F)c(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)cc1OC 1857736800 WJDHNXZAVOSGPS-GFCCVEGCSA-N 359.401 2.717 0 50 FFAA NS(=O)(=O)c1cnc(N2CCC(c3ccc(Cl)cc3)CC2)s1 302403151 LHUNJSXFEPXZMW-UHFFFAOYSA-N 357.888 2.828 0 50 FFAA COc1ccc2c(N[C@H]3CCCN(c4cc(C)nn4C)C3)ncnc2c1F 328785708 KMVBOLWPESELSI-ZDUSSCGKSA-N 370.432 2.900 0 50 FFAA CCCc1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 5924967 ZFTCIAAKXUPVOF-LJQANCHMSA-N 355.482 2.596 0 50 FFAA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253589911 AKYKYHKJUHUACD-LBUMMOJESA-N 350.499 2.681 0 50 FFAA Cc1cc2ncc(C(=O)N[C@H](C(=O)O)c3cccc(C)c3C)c(C)n2n1 263148756 URDLAGVMLDEFCG-KRWDZBQOSA-N 352.394 2.519 0 50 FFAA CC(C)(N)C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704307610 CEVDLLXIUQMPLE-NRFANRHFSA-N 350.466 2.687 0 50 FFAA C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1ccc(C(F)(F)F)nc1 874640804 YXBYSRAMIRTXBZ-SSDOTTSWSA-N 364.274 2.926 0 50 FFAA O=C(NCc1noc(-c2ccccc2F)n1)N1CC[C@@H]1[C@@H]1CCCOC1 1875278393 VMKIKIKIAWUZLS-IUODEOHRSA-N 360.389 2.586 0 50 FFAA CN1CCc2c(NS(=O)(=O)c3c(F)cccc3Cl)cccc2C1=O 1875316764 FQXOYAGBYIRJCP-UHFFFAOYSA-N 368.817 2.908 0 50 FFAA C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CC(OCc2nc(C3CC3)no2)C1 886096820 KMDVRQGWNNLZJU-OXQOHEQNSA-N 353.422 2.652 0 50 FFAA CNC(=O)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1 2325782343 QAFFMYNHYXBHKI-UHFFFAOYSA-N 373.840 2.778 0 50 FFAA O=C(O)c1csc(C2CCN(C(=O)c3ccn(C4CCC4)n3)CC2)n1 2325803023 JHESGPZMDWRLQI-UHFFFAOYSA-N 360.439 2.783 0 50 FFAA O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1CNOC1 2325838873 BHAJUPCIGUREPT-HNNXBMFYSA-N 353.397 2.926 0 50 FFAA O=C(c1cnn(-c2cccc(F)c2)c1)N1CCN[C@H](c2cccc(F)c2)C1 2325855885 SKCHCNWEAZLPII-IBGZPJMESA-N 368.387 2.937 0 50 FFAA COc1cc2[nH]ccc(=NCCn3ccccc3=O)c2cc1Br 2325858050 ZVSUKACBAAEGAO-UHFFFAOYSA-N 374.238 2.702 0 50 FFAA CCc1nc(-c2ccc(=O)n(-c3cnn(C)c3)c2)n(-c2ccc(C)cc2)n1 2325865004 ISIKBQCBAVGDAO-UHFFFAOYSA-N 360.421 2.690 0 50 FFAA N[C@H]1CCN(c2cccc(CNC(=O)Nc3cc(Cl)ccc3F)n2)C1 864779900 LHHFZCXNUHKCSR-LBPRGKRZSA-N 363.824 2.733 0 50 FFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 1199345 CFFIKAQWXQDBDW-SFHVURJKSA-N 367.405 2.970 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(CCn2cnc3ccccc32)CC[C@H]1O 2356140484 KSFDJVIEQHPKHS-UYAOXDASSA-N 359.470 2.610 0 50 FFAA O=C(NCc1cccc(F)c1)c1cc2c(s1)C1(CCNCC1)OCC2 2356151560 NLQDBFIMNLYFCM-UHFFFAOYSA-N 360.454 2.969 0 50 FFAA Fc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC2COCCOC2)c(Cl)c1 2356159145 NZYGQWNRVSJJHN-OALUTQOASA-N 368.880 2.791 0 50 FFAA Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 3481595 NYFMKTQAXOKSNH-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)CC2=CSC3=NCCCN23)C1 102869072 CSMXZLWWGLGBBR-UHFFFAOYSA-N 357.479 2.933 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)cc1Cl 9225493 ZPPBVQFXBQGLEF-MJBXVCDLSA-N 356.253 2.721 0 50 FFAA c1ccc(-n2cccc2CN(CCN2CCOCC2)Cc2ccco2)nc1 55133498 JPPVVPCQUIDDHC-UHFFFAOYSA-N 366.465 2.800 0 50 FFAA CCOc1ccc(CN2CCC3(CC2)N=C(c2ccccc2)NC3=O)cc1 63847525 WZYRSXWVKFTZTN-UHFFFAOYSA-N 363.461 2.997 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2)cn1 119653825 FYYHRDKCWLGVIX-UHFFFAOYSA-N 370.416 2.963 0 50 FFAA O[C@H](COCc1ccco1)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 229513023 UMMWRGSNAYXUKJ-FUHWJXTLSA-N 351.830 2.884 0 50 FFAA COc1cc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1NC(C)=O 229969925 OOMYEFGMNSECIC-WMLDXEAASA-N 366.483 2.997 0 50 FFAA CCN1CCN(C(=O)[C@H](NC(=O)c2ccco2)C(C)C)c2ccccc21 171892959 UUSRNGDMQMHKEM-GOSISDBHSA-N 355.438 2.907 0 50 FFAA O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCCC1 921635 NUJZCVFNMNJUHO-IBGZPJMESA-N 362.429 2.906 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cnc3ccccn23)n1C 328628065 GXEVHGGWCDSMRZ-KRWDZBQOSA-N 351.454 2.760 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 77454401 GMPYHBSXQNMCRV-CQSZACIVSA-N 363.845 2.754 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 77541629 VPAPJWBRMXJZCS-UHFFFAOYSA-N 367.783 2.984 0 50 FFAA C[C@H](C(=O)O)[C@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 262539604 RAEMYMUTEXOFLF-XOBRGWDASA-N 366.417 2.544 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)CCCc1nccn1C 72447790 YJPNCUSNROETBL-UHFFFAOYSA-N 365.481 2.856 0 50 FFAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccccc3F)nn2)nc1 72436810 FKZCFCWFYCMTRH-UHFFFAOYSA-N 366.400 2.905 0 50 FFAA O=C(Nc1cccc(F)c1F)C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 442479990 GUOOURUAVZJPCB-UHFFFAOYSA-N 366.314 2.883 0 50 FFAA O=C(O)COc1cccc(CN2CC[C@@H](c3ccccc3C(=O)O)C2)c1 72127125 SKSFHBDMARUQKB-OAHLLOKOSA-N 355.390 2.838 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCC[C@@H](C)N3CCN(C)CC3)c2c1 77523801 ZAASTMRZZFDFEC-QGZVFWFLSA-N 368.525 2.861 0 50 FFAA Cc1nnc(CN2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)o1 72463385 LKVHBWCVWBVXCJ-FQEVSTJZSA-N 354.454 2.783 0 50 FFAA CC[C@H]1CN(C(=O)c2ccncc2F)CCC(=O)N1Cc1ccccc1 71764039 WREPPHKDPYXRNJ-INIZCTEOSA-N 355.413 2.874 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@H](C(=O)c3ccccc3)C2)cn1 72411376 RDYPSDVXAWDYOA-SFHVURJKSA-N 355.438 2.541 0 50 FFAA OCCNc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 71749243 NKPOMKKTNQDJKB-AWEZNQCLSA-N 369.252 2.766 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 237922249 FIJLHERVCKFIJH-INIZCTEOSA-N 358.438 2.750 0 50 FFAA CC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cc(F)ccc1F 130068312 LQOVABIULUGVRX-KRWDZBQOSA-N 357.360 2.942 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(NC[C@H]2CC(=O)N(C3CCCC3)C2)n1 48436049 DVKQYVBUPGAVPJ-OAHLLOKOSA-N 368.485 2.697 0 50 FFAA Cc1csc2c(N3CCC(Cn4cc(C(C)(C)N)nn4)CC3)ncnc12 48308285 IUZUJYGNSNBQME-UHFFFAOYSA-N 371.514 2.702 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc(F)cc1Cl 223190692 DIZMLQZHAAOKLR-IAGOWNOFSA-N 364.804 2.978 0 50 FFAA Cc1ccc(-c2noc(C(=O)NCCNC(=O)c3cccc(C)c3)n2)cc1 20394213 LTPLPRSEZRRORJ-UHFFFAOYSA-N 364.405 2.513 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCN3CCC(O)CC3)cc2)c(C)c1 426697603 WRSTYASSKVTBQY-UHFFFAOYSA-N 368.477 2.857 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)NCCc3c[nH]cn3)s2)cc1 48428314 HQNDAOPHFAFHRX-UHFFFAOYSA-N 358.427 2.513 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cccc(F)c3)C2=O)c1 178566742 QVBPNLLJWPFTGC-SFHVURJKSA-N 372.396 2.720 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ncc(Cl)cc1Cl)C2 426535948 URZQATMVDGXRGE-UHFFFAOYSA-N 368.268 2.627 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)c2ccc(OCCN)c(OC)c2)c1 426431858 LTAFUXVDWBQMBN-KRWDZBQOSA-N 356.422 2.629 0 50 FFAA COCc1nc([C@@H]2CCOC2)cc(N2CCN(C3CCCCC3)CC2)n1 426668463 SVWNWSMVOCMWDI-MRXNPFEDSA-N 360.502 2.582 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)c2n[nH]c(C)c2Cl)n1 97272378 AMKGNFVXTISGPF-UHFFFAOYSA-N 350.854 2.654 0 50 FFAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2F)C1 92081496 LQRNYJSSGVBOEB-HNNXBMFYSA-N 374.456 2.734 0 50 FFAA O=C(CNC(=O)c1cccc(-c2ncccc2C(F)(F)F)c1)NC1CC1 426370075 RVCQALFLZVAYGT-UHFFFAOYSA-N 363.339 2.776 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)c2cc3c(n(C)c2=O)CCCC3)n1 91693859 WBUJRWPFXADTNE-MRXNPFEDSA-N 370.453 2.748 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N1CC[C@H](N2CCCCC2)C1 95526692 BDNWCVZDYVPJBL-INIZCTEOSA-N 360.458 2.746 0 50 FFAA Cc1ccccc1[C@H]1CCCN1C(=O)CN1CC2(CCN(C)CC2)CC1=O 95526605 ZVCMJKWPLDGZGZ-LJQANCHMSA-N 369.509 2.603 0 50 FFAA O=C1CCC2(CCNCC2)CN1CC1(c2cccc(F)c2)CCOCC1 91270179 YIQDEPAFKBOHLC-UHFFFAOYSA-N 360.473 2.866 0 50 FFAA O=C(Cc1cccc(F)c1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91974099 KKXHPSWQJVVXNM-MAUKXSAKSA-N 359.470 2.948 0 50 FFAA CCN(CC)CCN1C(=O)CN=C(c2ccccc2)c2c1c(C)nn2CC 96027577 HYENPMMTGRMVLS-UHFFFAOYSA-N 367.497 2.737 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)C2 97635092 QAQXNDCNVJKXMI-OAHLLOKOSA-N 368.412 2.782 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@H](CC(C)C)c2ncnn2C)c1 91745907 XHIHCLZPRUMWRO-MRXNPFEDSA-N 368.441 2.731 0 50 FFAA CC(C)Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)cc1 91985977 SUEZGMCAHVDQOI-UHFFFAOYSA-N 372.509 2.722 0 50 FFAA CCc1nnc(CNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)o1 244574945 CTYWVTWMIYGUKV-LJQANCHMSA-N 359.426 2.663 0 50 FFAA O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H](O)CC1 297170272 ADOBFUUSOAFDKG-TVQRCGJNSA-N 373.222 2.578 0 50 FFAA O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc(C2CCCCC2)n[nH]1 185083251 BVHAZZDLIWZHNU-INIZCTEOSA-N 367.453 2.778 0 50 FFAA O=C(Nc1cnc2sccn2c1=O)N(CC1CCC1)C[C@H]1CCCO1 299791560 DGUCLQGCSRYTCV-CYBMUJFWSA-N 362.455 2.569 0 50 FFAA CCS(=O)(=O)[C@H](C)C(=O)N1CCC(Oc2cccc(Cl)c2)CC1 299762585 NZORMCYDXZKLNJ-GFCCVEGCSA-N 359.875 2.533 0 50 FFAA CCc1nc(CCNC(=O)c2ccccc2F)n(-c2cccc(C)n2)n1 823550845 XTHVJQJMMGAMBH-UHFFFAOYSA-N 353.401 2.645 0 50 FFAA Cc1nn(C)c(C)c1OCC(=O)N1CCC(C(=O)c2ccccc2)CC1 268121384 BWHDOUCKFLDUQP-UHFFFAOYSA-N 355.438 2.537 0 50 FFAA Brc1ccc2ncnc(NCCCCN3CCOCC3)c2c1 301103552 LMLNHXMJPVWQFV-UHFFFAOYSA-N 365.275 2.917 0 50 FFAA Cn1cc([C@@H](O)C[C@H]2CCCN2CCCOc2ccc3c(c2)OCO3)cn1 170591259 WBAZDTMGZCQTLE-AEFFLSMTSA-N 373.453 2.506 0 50 FFAA O=C(c1cscn1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 212036634 FAQNQQGAXIDFKL-PBHICJAKSA-N 353.491 2.847 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1cnn(-c2ccccc2F)c1 1704314471 RSFVXICWHMANAG-UHFFFAOYSA-N 356.449 2.607 0 50 FFAA Cc1ccc(N2CCCN(C(=O)COc3cccc(C)c3C)CC2)nn1 1772810968 MLOATVTXAPBGBM-UHFFFAOYSA-N 354.454 2.520 0 50 FFAA CCCc1nc(C(=O)N2CCCN(C[C@H]3CCCOC3)CC2)cs1 1772708475 BLUJIEZCRPHYPO-OAHLLOKOSA-N 351.516 2.670 0 50 FFAA Cc1cc(C(=O)N2CCCN(Cc3cc4ccccc4nc3O)CC2)no1 1775983161 SRWLKYNAPWIKNR-UHFFFAOYSA-N 366.421 2.585 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H]3CCOC3)CC2)nc2ccc(F)cc12 1772807907 VZPAMXLTNBWMDG-HNNXBMFYSA-N 357.429 2.758 0 50 FFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)nn2)n1 11697173 MNZXQMWTGJOLSA-UHFFFAOYSA-N 366.469 2.762 0 50 FFAA Cc1ccccc1CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11933395 QIUOTQNCWDMRMM-OAQYLSRUSA-N 356.441 2.777 0 50 FFAA O=C(CCC(F)(F)F)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12026210 GSYJQYJJQXNEPI-ZDUSSCGKSA-N 362.779 2.942 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1CC1CCCCC1 12223727 LZEZWMVCLHTUQO-GOSISDBHSA-N 354.458 2.646 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](N(C)CC(C)C)CC3)o1 14542465 TXEMIUIVEDIKTQ-OAHLLOKOSA-N 358.486 2.697 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 19360252 VORNTOAJTHVMDF-UHFFFAOYSA-N 370.449 2.750 0 50 FFAA biogenic COc1cc(F)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 203304249 AGGBIOVVEAWGCM-RYUDHWBXSA-N 355.362 2.676 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669510 FHNMTRKDPLRDOW-KBXCAEBGSA-N 351.830 2.612 0 50 FFAA CC[C@]12COC(=O)N1CCN(c1cc(C)nc3cc4c(cc13)OCO4)C2 1857671226 RAKUEWFXTSWIDW-IBGZPJMESA-N 355.394 2.693 0 50 FFAA COc1cccc(CN2CCC3(CC2)CN(CC2CC2)C[C@H]3C(=O)O)c1 1857702557 NTTUVOVBPFAREF-IBGZPJMESA-N 358.482 2.704 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1 1857730477 SYESUBAIFIIUFI-SZMVWBNQSA-N 366.527 2.559 0 50 FFAA CN1C(=O)CCO[C@H]2CN(c3nc(-c4ccccc4)nc4ccccc34)C[C@@H]21 1857739973 BLPYZFRJUSPFIB-OALUTQOASA-N 374.444 2.733 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)c(F)c1 216319548 NFFNNIWKPMFXDB-AEFFLSMTSA-N 369.440 2.852 0 50 FFAA CN(C)c1noc(COC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)n1 225607586 QIZUICBWYSDILJ-NWDGAFQWSA-N 366.215 2.745 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cnn1C1CCCCC1 329076577 AWARETWJBXEJMD-HNNXBMFYSA-N 368.485 3.089 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccn[nH]2)CC1 125852415 VPLCEKXTPCMHMJ-GOSISDBHSA-N 372.444 2.709 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 247774313 WOSMUAYBFHXIFE-RAEVTNRLSA-N 354.809 2.882 0 50 FFAA FC(F)(F)c1nc(N2CCN(Cc3ccccc3)CC2)c2nc[nH]c2n1 252536283 IBMNRCBHMIMSAW-UHFFFAOYSA-N 362.359 2.694 0 50 FFAA COC(=O)N1CCC(OC(=O)c2cnn(-c3ccc(F)cc3F)c2)CC1 157967534 BPNDSWHRHKXVQL-UHFFFAOYSA-N 365.336 2.538 0 50 FFAA COc1ccc(CCC(=O)NC2(C(=O)O)CCC2)cc1Br 164817096 UZHYZMWAJONCJQ-UHFFFAOYSA-N 356.216 2.514 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)c2)c1 1704339154 CTCCROHSYYXMKK-UZLBHIALSA-N 366.461 2.765 0 50 FFAA Cc1cccc([C@H](CNC(=O)c2ccccc2N(C)C)N2CCOCC2)c1 1875267608 XVJFNTGQYZOMPY-NRFANRHFSA-N 367.493 2.864 0 50 FFAA COc1cccc2c(C)c(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)oc12 1875260414 ZRNVOZFWRUOYRG-CQSZACIVSA-N 368.437 2.882 0 50 FFAA CS(=O)(=O)NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1 1875390642 QCFZFCUOXSNSNJ-UHFFFAOYSA-N 353.827 2.537 0 50 FFAA CN(CCNC(=O)c1nccc2[nH]ccc12)Cc1csc(C2CC2)n1 1875332555 YDZZRWVYOOLTKT-UHFFFAOYSA-N 355.467 2.759 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1cccc(Oc2ccccn2)c1 1875399989 ODWKJUVRJWYGQK-MISYRCLQSA-N 364.449 3.000 0 50 FFAA CN1C(=O)C[C@@H](CNc2ncnc3ccc(F)cc23)[C@@H]1c1ccncc1 886052228 ANYFGBINGMQCPZ-UGSOOPFHSA-N 351.385 2.795 0 50 FFAA CC(=O)N1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@H]1C(F)(F)F 886059612 CSJZLCSZXQMOJN-CABCVRRESA-N 354.372 2.776 0 50 FFAA CN1C(=O)CC[C@H](CNC/C=C/c2ccc(F)cc2)[C@H]1c1cnn(C)c1 886081897 CRBXHVYZJKZQDA-RVIJTXJMSA-N 356.445 2.772 0 50 FFAA CO[C@@H]1CCCCN(CC(=O)Nc2cccnc2-c2ccccc2)C1=O 888076375 BAHYHFIMIVGMIK-QGZVFWFLSA-N 353.422 2.715 0 50 FFAA CN(C)c1ccc(C(=O)N2CCN(Cc3cccc4cc[nH]c34)CC2)nc1 2325774040 WZYLFLOEDSEFCA-UHFFFAOYSA-N 363.465 2.587 0 50 FFAA O=C1CC(c2ccc(COC(=O)c3cccc4c3OCC(=O)N4)cc2)C1 2325780858 UNPZNUKARHNJTC-UHFFFAOYSA-N 351.358 2.821 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1N(C(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)CC1(C)C 2325781623 OXPGCCFCBUZPAJ-RDJZCZTQSA-N 372.465 2.830 0 50 FFAA Cn1c(CC(=O)Nc2ccc3c(c2)CNCCC3)nnc1-c1ccccc1 2325795276 WESBGQDBZLMXRL-UHFFFAOYSA-N 361.449 2.699 0 50 FFAA OC[C@@]12CCC[C@@H](CN(c3ccnc4cc(Cl)c(F)cc34)C1)[C@@H]2O 2325821516 UYBWKGXBBIBICV-FJNPEDAXSA-N 350.821 2.987 0 50 FFAA CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 629665 MFSGRKGYQVLOKD-UHFFFAOYSA-N 372.494 2.804 0 50 FFAA CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)NC)c2ccccc12 637887 BZLSHWMAQHZHQH-QGZVFWFLSA-N 355.463 2.777 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356133887 KCCOSLFDKBPNKR-NRFANRHFSA-N 351.450 2.823 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(CSc2ncn[nH]2)o1 55369360 DZAIBJODLQJJAK-LBPRGKRZSA-N 350.444 2.721 0 50 FFAA CCOC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1 10820870 DFBWIPLFQOWBIH-UHFFFAOYSA-N 368.389 2.536 0 50 FFAA N=C1NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2)S1 8687441 XUZRBUGNHJJRBO-UVTDQMKNSA-N 360.416 2.593 0 50 FFAA aggregator COc1cc(OC)cc([C@H]2CC(=O)NCc3nc4ccc(C)cn4c32)c1 65531146 WZXPYHRGHHTIII-MRXNPFEDSA-N 351.406 2.812 0 50 FFAA CCSc1ncc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cn1 55255312 RJZZXULRWVKHOK-MRXNPFEDSA-N 360.458 2.618 0 50 FFAA COc1ccc2ccc(OCc3nc(C(=O)N[C@@H](C)CO)co3)cc2c1 67856702 UJVSHYKSJZTSMQ-LBPRGKRZSA-N 356.378 2.526 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)nc(C)n1 65363401 JLYYODUGFWIKJF-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA CC(=O)Oc1c(C)cc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1C 65398894 XMJFZMBODVIGRY-UHFFFAOYSA-N 374.872 2.994 0 50 FFAA Cn1ccnc1CN(Cc1cccc(C(=O)Nc2nccn2C)c1)C1CC1 67784278 RGYWYSRUTJYAHW-UHFFFAOYSA-N 364.453 2.571 0 50 FFAA Cc1cc(C)n2ncc([C@H]3CC(=O)Nc4c3c(C)nn4-c3ccccn3)c2n1 65493710 OUCUTMXLDDJACO-CQSZACIVSA-N 373.420 2.709 0 50 FFAA O=C1CCC(=O)N1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1 3097397 YDKWXBXINLIPDX-UHFFFAOYSA-N 365.794 2.761 0 50 FFAA O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1NCCc2[nH]cnc21 72453549 ZCXIHERUNLUBAX-KRWDZBQOSA-N 356.813 2.826 0 50 FFAA CS(=O)(=O)c1ccc(-c2noc(-c3cc4ccccc4[nH]c3=O)n2)cc1 171803376 OQCUYBMLKGTXNN-UHFFFAOYSA-N 367.386 2.649 0 50 FFAA CC(C)c1noc([C@H]2CCCN2CC(=O)N2CCOc3ccccc32)n1 77487384 XEQLKVZMQVYUOE-OAHLLOKOSA-N 356.426 2.756 0 50 FFAA CN(C)c1ccc(CCC(=O)N2CCC3(CCNC(=O)CC3)CC2)cc1 218988542 ZUPKBQPLUIPNMA-UHFFFAOYSA-N 357.498 2.594 0 50 FFAA CCn1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)n1 77427436 PLFWGAMGKQNCGX-UHFFFAOYSA-N 354.498 2.992 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 72152797 SABOCLKHNAJQDC-SFHVURJKSA-N 366.527 2.829 0 50 FFAA COc1cccc2c1CC[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CCN2C 122296050 NMKOOOBHWQWFDL-INIZCTEOSA-N 365.433 2.891 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(C)c2ccccc21 172430950 HEESFCMCELIYJY-GOSISDBHSA-N 355.438 2.907 0 50 FFAA N[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 237926975 PBRCVLILQDAKRP-CYBMUJFWSA-N 362.227 2.810 0 50 FFAA Cc1cc(C)c(CN2CCC3(CC2)CN(C)C(=O)O3)c(-n2cccn2)c1 72457165 WYMRKPUGZZOKRR-UHFFFAOYSA-N 354.454 2.906 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cn(C(C)C)cn2)n1C 366094673 VGCGLENEHDVDAT-MRXNPFEDSA-N 357.458 2.530 0 50 FFAA Cc1nnc(CN2CCOC[C@H]2Cc2c[nH]c3ccccc23)n1C1CC1 366921906 NMTOQYPOCVQJGL-QGZVFWFLSA-N 351.454 2.846 0 50 FFAA c1ccc(COc2ccc(-n3ccnc3-c3cc4n(n3)CCNC4)cc2)nc1 72428035 WFUHBJGFGAEAAR-UHFFFAOYSA-N 372.432 2.813 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 123295665 PFVKLZYAGIXQBO-DZGCQCFKSA-N 353.344 2.695 0 50 FFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC[C@@H]1c1nccs1 216442284 SHDYAFKDECODJG-OAHLLOKOSA-N 354.435 2.990 0 50 FFAA CCc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NCCOC)c2)c1 71575778 MUHMTYFJAVLFFO-UHFFFAOYSA-N 363.435 2.539 0 50 FFAA O=C(Cn1c(=O)nc(O)c2ccccc21)Nc1cccc(-n2cccc2)c1 494694321 HKLYGMDHLKGOCZ-UHFFFAOYSA-N 360.373 2.532 0 50 FFAA Cc1ccc(-c2nnn[nH]2)cc1-n1ccnc1-c1cnc(NC(C)C)nc1 72440391 TTYIHZKERXJITF-UHFFFAOYSA-N 361.413 2.638 0 50 FFAA Cc1cc(NC(=O)N(C)CC[C@H]2CCCCN2C)n(-c2ccccn2)n1 174698985 QPUQJRPLJMAFPW-MRXNPFEDSA-N 356.474 2.914 0 50 FFAA Cc1cc(C)cc(N2CCN(c3nc(C)nc4onc(C)c34)CC2=O)c1 77388382 HYAACOYDOJNRDI-UHFFFAOYSA-N 351.410 2.705 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c2c1CCC2 333761455 ZUUGFENSIKSTNZ-INIZCTEOSA-N 355.482 2.894 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 237596336 UACSJFQMNOEEFZ-NVXWUHKLSA-N 352.390 2.753 0 50 FFAA C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)CN1Cc1ccccc1 329857088 YVKBOQSAQMLWDY-HNAYVOBHSA-N 372.490 2.658 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2=O)c1 85532742 QLSPRFRPASAKAN-UHFFFAOYSA-N 362.788 2.977 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)CCN1CCCCCC1=O 222901589 OCIYQPVOGWTJDN-UHFFFAOYSA-N 354.454 2.590 0 50 FFAA C[C@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(Cc2ccncc2)CC1 176055221 IJKKPTWYHMLZIN-VGSWGCGISA-N 367.493 2.717 0 50 FFAA CS(=O)(=O)c1cccc(C(=O)NCc2coc(-c3ccccc3)n2)c1 132877036 HJZIAAUYVDOQSH-UHFFFAOYSA-N 356.403 2.675 0 50 FFAA CN(C)CCN(CCO)C(=O)c1ccc(-c2cnc3ccccc3c2)cc1 426503883 ANGNHWFFNZEITG-UHFFFAOYSA-N 363.461 2.898 0 50 FFAA COc1nccnc1-c1cccc(-c2ccn(C[C@H](O)C(F)(F)F)n2)c1 20256383 UWELTLHTIQVUEL-AWEZNQCLSA-N 364.327 2.939 0 50 FFAA CN(CC1CC1)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82083476 MEFXGHMTRZYMGZ-HXUWFJFHSA-N 370.541 2.626 0 50 FFAA C[C@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2OCCCN)C1 426647925 NBCHURPQGUGSCD-AWEZNQCLSA-N 353.894 2.529 0 50 FFAA Cc1ncsc1CCCNC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 426667667 VZIUAZYUKBVQQM-GOSISDBHSA-N 374.510 2.934 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cs1 91656959 LMRXEZOZGSYGJR-UHFFFAOYSA-N 372.494 2.570 0 50 FFAA O[C@H]1[C@H](N2CCc3ccc(F)cc3C2)c2ccccc2C12CCNCC2 20909139 WFLDUCRQFUPBSB-RTWAWAEBSA-N 352.453 2.921 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CC[C@H](N)C2)cc1 426423683 PQVQBQZSUBGEGQ-NSHDSACASA-N 353.348 2.671 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)c2ccccc21 95367633 LSJBSLOMBYVNHZ-GOSISDBHSA-N 366.465 2.662 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c(=O)[nH]1 97711666 IUSZKSGXLYXIQT-OAQYLSRUSA-N 366.417 2.748 0 50 FFAA Nc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 91894233 BDOVIPSAEQXSQY-AZUAARDMSA-N 364.493 2.833 0 50 FFAA Cc1cc2cc(CNC(=O)N3CCC[C@]4(CC3)CNC(=O)O4)ccc2[nH]1 426396439 LKQVYUPXPFKZTC-IBGZPJMESA-N 356.426 2.650 0 50 FFAA Cc1noc2ncnc(N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)c12 91876809 UCCFCYMASJABTH-IBGZPJMESA-N 355.442 2.545 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3csc(C(C)=O)c3)C[C@H]21 95518436 SEXWUYALYONJBO-YLJYHZDGSA-N 373.474 2.930 0 50 FFAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccc(=O)[nH]c2)C1 95531387 GHTSBFCSBDFXHG-GOSISDBHSA-N 367.493 2.710 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1-n1cncn1 91547500 YGWNAYFIDUTUJO-UHFFFAOYSA-N 358.405 2.725 0 50 FFAA CCc1nc(C)sc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91635701 SXYCNNKPTTVSKM-XIKOKIGWSA-N 352.500 2.654 0 50 FFAA Cc1cc(CC(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)on1 91604450 VRMWNKNNGIMJDC-KRWDZBQOSA-N 365.437 2.572 0 50 FFAA CCN1CCC(CC(=O)N[C@@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95500892 ANMZODKVLJKXEF-MRXNPFEDSA-N 356.825 2.843 0 50 FFAA O=C(c1cncc(F)c1)N1CCC(c2nccn2Cc2ccncc2)CC1 95526457 POIYUJDNTQZKOM-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA CC[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1cccnc1 244673655 HTHZHQOIRVEASC-GOSISDBHSA-N 352.438 2.596 0 50 FFAA O=C(COc1ccc(F)cc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244748812 OOUMQVSEPDAVHB-XPIZARPCSA-N 371.408 2.768 0 50 FFAA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CC[C@](O)(CO)C2)c1 299786522 LIGLEHMKXUVPSC-LJQANCHMSA-N 361.825 2.585 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(CO)cc2CO)c1 299758133 CXZNTJCBYHYBEU-HXUWFJFHSA-N 368.477 2.552 0 50 FFAA CCc1nccn1CC1(CNC(=O)CCc2n[nH]c3c2CCCC3)CC1 299776153 KUBYVCPWSJDLGR-UHFFFAOYSA-N 355.486 2.577 0 50 FFAA CC(C)c1ccc(-c2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)nn1 299780816 CDDVDCMJHXNNSP-AWEZNQCLSA-N 350.426 2.677 0 50 FFAA O=C(N1CCCC1)N1CCC(NC(=O)N2CC[C@H]2c2ccc(F)cc2)CC1 826585146 SWUDSBLKCMUFDS-SFHVURJKSA-N 374.460 2.962 0 50 FFAA O=C(c1ccncc1)N1CCC(NCc2noc(-c3cccs3)n2)CC1 828193979 XHTMPGLRPOYAJM-UHFFFAOYSA-N 369.450 2.588 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1n[nH]c2c1CN(C)CC2 670450437 CVQKAIZTCMFMBV-MRXNPFEDSA-N 354.454 2.738 0 50 FFAA Cc1ccc(CCC(=O)N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)c(C)c1 952973480 CTMYERSODKXDSZ-FQEVSTJZSA-N 372.509 2.770 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c(O)c(C(C)(C)C)c1 170655192 BQHNENHJBQJXBD-CQSZACIVSA-N 373.497 2.837 0 50 FFAA Cn1cncc1CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 170610619 LVURJAAKTJGHNQ-UHFFFAOYSA-N 356.407 2.844 0 50 FFAA C[C@H](c1nnnn1C1CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 191985682 JVZIZADMHPOTNB-BMIGLBTASA-N 351.813 2.935 0 50 FFAA CCc1c(C(=O)NCc2nnc(C3CC3)o2)cnn1Cc1ccccc1 194007132 CYHHKDXXJZGYDD-UHFFFAOYSA-N 351.410 2.684 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(Cc3ccc4cccc(OC)c4n3)CCN21 1615964943 TYHIEKPGVHJAAB-MOPGFXCFSA-N 355.482 2.929 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)s1 1506409642 RYFLOPPJHUOAKR-JTQLQIEISA-N 365.480 2.977 0 50 FFAA CC[C@]1(C(N)=O)CCCN(C(=O)C2(Nc3ccc(OC)cc3)CCCC2)C1 1506428775 QGFNBFOPHOUQJU-FQEVSTJZSA-N 373.497 2.924 0 50 FFAA CN(Cc1c[nH]nc1-c1ccccc1)c1cncc(C(=O)N2CCCC2)n1 1529120051 RLKFQFLGNKBZCT-UHFFFAOYSA-N 362.437 2.739 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1C 1704309961 UDQAJYUWADVOTE-KRWDZBQOSA-N 358.486 2.693 0 50 FFAA Cc1ccc(N2CCC(N3CCCN(C(=O)[C@@H]4CCOC4)CC3)CC2)cc1 1772815077 CVTNNFOKRYYVAR-LJQANCHMSA-N 371.525 2.535 0 50 FFAA CC(C)N1C[C@@H](CN2CCCN(C3Cc4ccccc4C3)CC2)CCC1=O 1772811409 UWHAKWBEQFSCNH-LJQANCHMSA-N 369.553 2.809 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 11662798 PPLNMMRWGVEDBU-QGZVFWFLSA-N 360.502 2.730 0 50 FFAA Cc1c(CC(=O)N2CCOCC2)c2c(n1Cc1ccccc1)CCCC2=O 11774007 XTFQBRWEFRMCTC-UHFFFAOYSA-N 366.461 2.765 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)cc1 12057256 MQDHMAMTXLEIED-JOCHJYFZSA-N 371.525 2.890 0 50 FFAA CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CCNCc2ccccc2)CC1 12218941 UPEIMYPWVQQICW-GOSISDBHSA-N 373.497 2.778 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)C1 12299985 QJZPQDMXHSAUDD-CQSZACIVSA-N 354.410 2.632 0 50 FFAA COc1ccc([C@H]2C[C@@H](c3cccc(OC)c3OC)n3nnnc3N2)cc1 13124606 IVBVNCLHSRBQBU-CVEARBPZSA-N 367.409 2.845 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)cc1 13677166 BWUNIZHZVZSLMB-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA Cn1c(CCNC(=O)C2CC2)nnc1SCc1cccc(Cl)c1 14982560 AMVZFAJLJGCJHC-UHFFFAOYSA-N 350.875 2.830 0 50 FFAA CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OC 16651375 ONQPRUOIUZROGV-UHFFFAOYSA-N 366.414 2.775 0 50 FFAA CC(C)(C)OC(=O)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2560797 OJUXORJKDRYZEV-AWEZNQCLSA-N 351.399 2.878 0 50 FFAA in-vitro O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)COc1ccc(F)cc1Cl 329561460 JGPGJRCDDAIHJG-ZFWWWQNUSA-N 369.820 2.845 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)Cc1ccccc1Cl 262371795 FNPMVPMQVYSLNX-GLQYFDAESA-N 357.859 2.888 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc(O)c1F)C2)c1ccco1 1875336408 ZKIQSROHWBIKON-KWCYVHTRSA-N 358.369 2.547 0 50 FFAA O=C(c1cnns1)N1C[C@H]2CC[C@H]1CN2CC[C@@H]1CCCC1(F)F 1875407364 XUBZUTHTFDMBQQ-XQQFMLRXSA-N 356.442 2.652 0 50 FFAA Cc1nc(N2CCNCC2)sc1C(=O)Nc1cc2ccccc2cn1 2325780186 MQJSWXSYJFKBHU-UHFFFAOYSA-N 353.451 2.662 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(c2ncnc4c2[S@@](=N)(=O)CCC4)C3)cc1 2325789395 MUFBFNCNJJEDCL-OKDKDVNESA-N 354.479 2.915 0 50 FFAA N[C@]1(c2ccccc2)CCN(C(=O)c2cnc(Oc3ccccc3)cn2)C1 2325857717 MPQSPIIGSTWIBW-OAQYLSRUSA-N 360.417 2.969 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N[C@H](CCCO)c2ccccc2)cc1 131250579 YJHUPYMADBFOTE-LJQANCHMSA-N 352.434 2.732 0 50 FFAA C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1 643266 JYNFDLBSWDIVNR-QAPCUYQASA-N 358.463 2.717 0 50 FFAA COc1cccc(OC)c1C(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356169773 ZFNOYHXLRIBFQV-FQEVSTJZSA-N 360.454 2.709 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccn1)C2 1073388095 HMJRKZNXRJUYBL-FPOVZHCZSA-N 364.493 2.930 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 225454912 AQWZACKUIRTGQS-UFBFGSQYSA-N 357.193 2.714 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)c1 111834489 GISCMLYHBVENRR-MOPGFXCFSA-N 373.476 2.980 0 50 FFAA Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)Cc3ccc(O)cc3)C2)no1 171353451 RHLIWAGQNOYHEN-CZUORRHYSA-N 358.442 2.679 0 50 FFAA C/C=C(\C)CN1CCCn2nc(CN(C)C[C@@]3(C)CCN(C)C3)cc2C1 107437398 ZEIDXWXCYXRLSU-SQDHZICKSA-N 359.562 2.829 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)C1 421867792 GOWKZNMZMQTTLA-FQEVSTJZSA-N 357.429 2.877 0 50 FFAA O=C(C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)c1cccnc1 65370330 QGKZQMICIWUYFH-VQTJNVASSA-N 360.413 2.795 0 50 FFAA O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccccc1Cl 71753151 VVPUOFKNMXZLBT-CYBMUJFWSA-N 350.768 2.609 0 50 FFAA O[C@@H](COc1ccc2cc(Br)ccc2c1)CN1CCOCC1 20029106 ZFQRIWZXQYJFQZ-MRXNPFEDSA-N 366.255 2.674 0 50 FFAA COc1cccc(-c2noc(-c3ccc(NC(C)(C)CO)nc3)n2)c1OC 20919639 PMGAJRWWSBQVEO-UHFFFAOYSA-N 370.409 2.999 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c2ccc(F)cc2n1 67770337 GJHXZPZERBWWGD-FQEVSTJZSA-N 355.413 2.767 0 50 FFAA O=C(c1c(O)cccc1F)N1CCC[C@H](c2nnc3n2CCCCC3)C1 119615700 KGNGNAMNMDLIAJ-ZDUSSCGKSA-N 358.417 2.869 0 50 FFAA O=C(Nc1nccs1)[C@@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 229759157 QDXATXZODZOTIS-IAQYHMDHSA-N 367.421 2.805 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCCN1C(=O)c1cccs1 121761421 OIFWVMNNBATBDS-DIECFANBSA-N 374.506 2.817 0 50 FFAA Cc1nc(CCC(=O)NCc2cccnc2N2CCCCCCC2)n[nH]1 67935099 WBKNNDYNXXVAQB-UHFFFAOYSA-N 356.474 2.528 0 50 FFAA CCc1nccn1CC(=O)N1CCc2n[nH]c(-c3ccccc3F)c2C1 67712961 QHJDCAIMWIIOHZ-UHFFFAOYSA-N 353.401 2.560 0 50 FFAA CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cnn(CC)c2)cc1 2779846 VAHARSNZNRZXHH-UHFFFAOYSA-N 374.466 2.987 0 50 FFAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cccc(F)c1 72436382 RCYRWBDRBPSBKI-QGZVFWFLSA-N 360.429 2.503 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1C 77288106 ZAWWALOEGOXZIA-OAQYLSRUSA-N 372.513 2.856 0 50 FFAA Cc1ccccc1-c1cc(NC(=O)C(=O)Nc2cc(F)c(F)cc2F)n[nH]1 328596696 QJCDZWHKWXBYAM-UHFFFAOYSA-N 374.322 3.380 0 50 FFAA CCC[C@@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72162773 ZUOYQSHEGPTJIK-CQSZACIVSA-N 353.470 2.926 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)CCn3cc(Cl)cn3)C2)cc1 72428063 GLRTUOCLEDUYAC-AWEZNQCLSA-N 361.829 2.716 0 50 FFAA CCc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1 35476248 RXKKQIPEDXVEHO-OAHLLOKOSA-N 373.420 2.655 0 50 FFAA Cc1cccnc1CN1CCN(Cc2ccc(Cn3cccn3)cc2)CC1 72151444 OGQHUGUFDYXLEO-UHFFFAOYSA-N 361.493 2.953 0 50 FFAA CCc1cc(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n2nccc2n1 72122436 XYJAURJXYHMBOF-UHFFFAOYSA-N 362.437 2.776 0 50 FFAA Cc1nc(C(=O)N2CCC[C@H](Cc3nnc4ccccn34)C2)sc1C 365197318 NLRZYNDYCSNZAP-CQSZACIVSA-N 355.467 2.898 0 50 FFAA CCc1nnsc1C(=O)N[C@H]1CCCN(Cc2cccc(OC)c2)C1 72431391 NOJYLTXEWHBTQR-AWEZNQCLSA-N 360.483 2.504 0 50 FFAA NC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 365263952 DZCSSOGVUBTZHY-INIZCTEOSA-N 352.438 2.796 0 50 FFAA COCc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)o1 39393820 DKNGOZWNFIXHAO-LJQANCHMSA-N 358.482 2.537 0 50 FFAA Cc1nnc([C@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CCO2)o1 376034542 KXFZLNLLEZDOQT-MRXNPFEDSA-N 355.373 2.860 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 14974181 HSWZXXFQRAWTQA-NRFANRHFSA-N 363.546 2.909 0 50 FFAA O=S(=O)(c1ccccc1)N1CCC(n2ccnc2-c2ccncc2)CC1 77421509 ONXUWVLRJGRAIJ-UHFFFAOYSA-N 368.462 2.971 0 50 FFAA Cc1cccc(N2C[C@@H](NC(=O)c3cccc(-n4cccn4)c3)CC2=O)c1 77378277 YMLDCQUWRBJDSM-KRWDZBQOSA-N 360.417 2.716 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1ncc(C2CCNCC2)s1 262097346 SMGHYYDBXXDGNO-UHFFFAOYSA-N 372.454 2.559 0 50 FFAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237725837 AYEUTBUGBGOVDZ-KCJPBNATSA-N 351.834 2.639 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3cnc4ccccc4c3)C2)CC1 76883021 JQQZKUBPYDDRBU-SFHVURJKSA-N 352.482 2.523 0 50 FFAA CCC1(CC)[C@H](NC(=O)c2ccoc2C2(O)CCOCC2)[C@H](C)[C@H]1OC 373941715 AJQYYNSYIQGSPU-NUEKZKHPSA-N 365.470 2.847 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC(C(=O)O)(n4cccn4)CC3)c2o1 72420985 TUDTXVVCXNWPHU-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA Cc1nc(NCC[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 72148502 RMNJZJVNMBUDSG-QGZVFWFLSA-N 350.470 2.996 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)N1CCC(N2CCCC2)CC1 426399216 LIXBWFPIGAPTRF-HXUWFJFHSA-N 367.497 2.894 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1=O 82133951 SOKWBYITDBIWDD-GOSISDBHSA-N 352.434 2.532 0 50 FFAA COCCN1CCC[C@H](CN(C)C(=O)NCc2ccc3[nH]c(C)cc3c2)C1 426563433 UJWQLLXVHUBVCX-GOSISDBHSA-N 372.513 2.976 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)Nc3c[nH]c4ccccc34)C2)C1=O 95379684 QJLBAFPNBXJXNA-FQEVSTJZSA-N 370.453 2.661 0 50 FFAA CCSCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95389038 QPWPRMRUYVCGTM-DFQSSKMNSA-N 360.523 2.924 0 50 FFAA O=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCCCCCC1 91624799 HESVPNIRYOWYBY-UHFFFAOYSA-N 359.401 2.894 0 50 FFAA COc1ccc(-c2ccc(C(=O)N[C@@H](C)CCn3cccn3)cc2)nn1 426502906 MUVCEDKNMNDAGX-AWEZNQCLSA-N 351.410 2.557 0 50 FFAA NC(=O)CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3c1)CC2 91663473 CJRWOBJLNNDOSH-UHFFFAOYSA-N 365.477 2.530 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 95366803 IPCDBDORDKYXOV-QGZVFWFLSA-N 366.483 2.685 0 50 FFAA Cc1cccc(C)c1OCCCN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 92028498 WMTRVDWHJRGTCU-KRWDZBQOSA-N 358.482 2.932 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc2ccccc12 239164879 NBPDULKKVXOPCZ-NQDKFLQJSA-N 372.424 2.831 0 50 FFAA COc1ccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)cc1NC(C)=O 96140652 LLDNGIKRXVRXJU-UHFFFAOYSA-N 357.414 2.584 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)[C@@H]1COc2ccccc2C1 91943662 YUEXWHZHZNUYAB-INIZCTEOSA-N 360.523 2.714 0 50 FFAA CN1CCC(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)(c2ccccc2)CC1 92046235 MLQBMJFREZKUPQ-JOCHJYFZSA-N 356.510 2.660 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@H]3O4)n2)cc1 239309247 HJKFNKOXHROWOI-APIJFGDWSA-N 356.403 2.711 0 50 FFAA COc1c(C)c(O)c2c(c1OC)OC[C@H](Cc1ccc(O)cc1O)C2=O 247973562 UFYRDFXCXPHUDD-NSHDSACASA-N 360.362 2.563 0 50 FFAA biogenic CCOc1cccc2c1OC[C@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C2 299748355 HBJHSIZAKPSSFP-CQSZACIVSA-N 373.405 2.895 0 50 FFAA CO[C@@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H]3[C@@H]3[C@@H]7[C@@H]8[C@H]([C@@H]9[C@@H]%10[C@H]([C@@H]4[C@H]91)[C@H]5[C@@](Br)([C@@H]67)[C@@H]8%10)[C@H]32 257358366 TULRIWOOIXMAQT-LBLCVDMUSA-N 369.302 2.747 0 50 FFAA COc1ccc(-n2cc([C@@H](C)NC(=O)NC3(CO)CCCC3)cn2)cc1 534669347 JCRJTVDKMPWXJA-CQSZACIVSA-N 358.442 2.546 0 50 FFAA O=C(NCCC1(O)CCCC1)N1CCC([C@@H](O)Cc2ccccc2)CC1 534580449 VQERPEKWQWLHMD-IBGZPJMESA-N 360.498 2.707 0 50 FFAA Cc1ccc2cc(C(=O)NC3CCN(C(=O)N4CCCC4)CC3)n(C)c2c1 299767222 PPABWHJGWWENLF-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)C2)no1 299793060 JDCPXYJCUOZHHF-HNNXBMFYSA-N 367.409 2.767 0 50 FFAA CC(C)n1cnnc1[C@H](C)NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 299796552 OSNNZBOMHSOLMZ-ZDUSSCGKSA-N 370.457 2.563 0 50 FFAA NCC[C@@H]1CN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)CCO1 299792448 DVSSJPOJINBLBV-ZLHKHBAESA-N 352.438 2.834 0 50 FFAA NCC[C@H]1CN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)CCO1 299792440 DVSSJPOJINBLBV-QTWIXLPOSA-N 352.438 2.834 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccccc1OCc1ccccn1 299786339 JQSUCHLBZATCII-WMZOPIPTSA-N 357.410 2.586 0 50 FFAA COc1cccc(C(=O)N[C@H]2CCc3ccccc3C2)c1OCCCN 299777809 PCAJJYLHQBKIEA-KRWDZBQOSA-N 354.450 2.710 0 50 FFAA CCc1cc(N2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)ncn1 823557336 MQYTVZFHKXVVGD-UHFFFAOYSA-N 354.483 2.813 0 50 FFAA CCN1CC[C@@H](NC(=O)N(CCCO)Cc2cccc3ccccc23)C1 584885620 ORJFYTRDGYUQDC-LJQANCHMSA-N 355.482 2.828 0 50 FFAA COc1c(N)ccnc1-c1cccc(C(=O)NCCN2CCCCC2)c1 584894572 JBOZGXHNBJWMEG-UHFFFAOYSA-N 354.454 2.555 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCc2csc(N3CCCC3)n2)C1 670462749 BXLRKEPISQSGHG-OAHLLOKOSA-N 352.504 2.844 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1c(C)cc(C)n(C)c1=O 952990699 SFYJLFUKDZZAOG-UHFFFAOYSA-N 367.449 2.799 0 50 FFAA O=C(NC[C@H]1CC2(CCNCC2)CO1)c1ccc(CN2CCCCC2)cc1 952972210 WQJTYQWKKKHQPM-HXUWFJFHSA-N 371.525 2.561 0 50 FFAA COCCn1cnnc1[C@H](C)NC1CCN(c2cccc(Cl)c2)CC1 952983632 WFKIZHHYVFSLBN-AWEZNQCLSA-N 363.893 2.898 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)[nH]n2)cc1 268866212 FKOJGVHFSGANSC-CQSZACIVSA-N 366.425 2.532 0 50 FFAA COC(=O)C[C@](C)(NC(=O)c1cccc2c1OCCO2)c1cccc(F)c1 170608923 SXOFCCNJDCLDNR-FQEVSTJZSA-N 373.380 2.805 0 50 FFAA Cn1cc(-c2cc(CN3CCO[C@H](c4ccc(F)cc4F)C3)on2)cn1 187292561 RAGODAWOBGEYDZ-SFHVURJKSA-N 360.364 2.927 0 50 FFAA COc1cccc(N2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)c1 191881968 DEVKPOZKEQCTDQ-HXUWFJFHSA-N 351.450 2.771 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCN(C4CC4)C[C@H]3C)c2)n1 1472582370 XMMAQORYWBQANG-QGZVFWFLSA-N 352.482 2.857 0 50 FFAA Cc1cnn(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1 1529146324 MSCOSBFMWNQSPG-YLJYHZDGSA-N 364.449 2.504 0 50 FFAA CC(=O)N1CCCC[C@H]1C(=O)Nc1c(C)cnn1Cc1cccc(C)c1 1529168865 OQDAXIKTOCMGHL-SFHVURJKSA-N 354.454 2.888 0 50 FFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCO)Cc2cnc(C)[nH]2)c1 1704308414 QOZMRUOHQMWMLZ-HNNXBMFYSA-N 359.470 2.938 0 50 FFAA O=C(Cn1ncc2ccccc21)N1CCCN(Cc2cccs2)CC1 1775977121 HIHQXMQONMUQSF-UHFFFAOYSA-N 354.479 2.832 0 50 FFAA CCN(C)C(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 11759164 HCDJXPURGSBPTH-FQEVSTJZSA-N 369.553 2.809 0 50 FFAA O=C(c1ccccn1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 12705381 GBJFVCYNZOSREY-JOCHJYFZSA-N 363.461 2.779 0 50 FFAA CC(=O)Nc1c(C)ccc(CNC(=O)CSc2nccc(C)n2)c1C 16488474 VESAMLVRWPTTHF-UHFFFAOYSA-N 358.467 2.769 0 50 FFAA CN1c2cc(C(=O)N3CCc4ccccc4C3)ccc2C(=O)N2CCC[C@@H]21 169768481 OJVRMIRCCXOMMX-HXUWFJFHSA-N 361.445 2.897 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@H]21 1875247293 YTGPNVGMGMAIMM-FAAYRAOTSA-N 360.454 2.684 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC(=O)[C@H](C)C1 225422901 QNWODMMDPVHEAQ-CZUORRHYSA-N 354.454 2.727 0 50 FFAA N=C(O)[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CCOCC2)CC1 332158560 YBUUPUQGFVLAHI-QGZVFWFLSA-N 351.878 2.961 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 238089733 CCHKOIYYXZQFDD-AVGNSLFASA-N 353.365 2.551 0 50 FFAA O=C(NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1)c1cncs1 11870385 UIHBNUJXWTXAQL-CYBMUJFWSA-N 372.837 2.987 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c2ccc(C)c(C)c2n1 1704326217 YDPCTCYYNDHIFC-SJORKVTESA-N 353.466 2.563 0 50 FFAA O=C1CCc2cc(-c3csc([C@@H]4CCS(=O)(=O)C4)n3)c(F)cc2N1 871600034 ZKYOTPMOCXHFQO-SNVBAGLBSA-N 366.439 2.736 0 50 FFAA C[C@@]1(c2ccc(CNC(=O)CC3CCC4(CC3)CC4)cc2)NC(=O)NC1=O 1875321280 BJFBAILTKGENJV-FQEVSTJZSA-N 369.465 2.718 0 50 FFAA CC(=O)N1C[C@@H](Nc2nccc(C(F)(F)F)n2)CC[C@@H]1C(F)(F)F 886056934 WUXDQMOAPANQAL-WCBMZHEXSA-N 356.270 2.849 0 50 FFAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1cc(-n3cccn3)ccn1)C2 2325803027 JNUHEETZMYFCGC-UHFFFAOYSA-N 361.449 2.527 0 50 FFAA O=C(NC[C@H]1CCn2cnnc2C1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 2325816609 HXTMZQUITOINQL-ZOCIIQOWSA-N 361.449 2.849 0 50 FFAA O=C(CCC1CCC1)N[C@@H]1CCN(C(=O)c2cc(O)ccc2Cl)C1 2325842530 AAQDJAPCFBCVET-CYBMUJFWSA-N 350.846 2.957 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC(F)(F)[C@]3(CCOC3)C2)cc1 2325888878 CAEVHWFQOXNLSS-QGZVFWFLSA-N 350.365 2.699 0 50 FFAA Nn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1 937203 NKYYWSHCGFXXDJ-UHFFFAOYSA-N 365.462 2.730 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)cc2)n1 2356137855 CDRZSPXKPABWBU-HDICACEKSA-N 355.438 2.921 0 50 FFAA CCN1Cc2nnc(-c3c(C)nc4ccccn34)n2[C@@H](CC(C)C)C1=O 2356161833 LWLIDWSTEQYFIA-AWEZNQCLSA-N 352.442 2.851 0 50 FFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 4558940 LATQVWCYMOGPKT-KCXAZCMYSA-N 358.413 2.669 0 50 FFAA CN1C(=O)N(C)C(=O)C(Cc2cccc(F)c2)(Cc2cccc(F)c2)C1=O 4720925 AIRXAMQUNLUQES-UHFFFAOYSA-N 372.371 2.787 0 50 FFAA CC[C@H](C)Sc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 59745534 JCADZQUKMPNKHJ-WDEREUQCSA-N 371.532 2.761 0 50 FFAA CC1(CCCCNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)OCCO1 225494460 KXCJZLNVDSYNRB-UHFFFAOYSA-N 356.422 2.705 0 50 FFAA O=C(c1ccc(CO)cc1)N1CCC(Cn2cc(C3CCCC3)nn2)CC1 20450217 XAYINNQJCMAMSL-UHFFFAOYSA-N 368.481 2.980 0 50 FFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 52634723 DJQZXLWAIXOKDD-CXAGYDPISA-N 351.472 2.767 0 50 FFAA COc1ccc(Cc2nc3c4c(C)c(C)n(CCCO)c4ncn3n2)cc1 9303575 MCQAKWNWZDNKQH-UHFFFAOYSA-N 365.437 2.678 0 50 FFAA COc1ccc(C)cc1N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 9342281 PZMHQSOQJXFMPS-GFCCVEGCSA-N 374.466 2.970 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 113215433 ZWKYVKVSRWZTEW-KRWDZBQOSA-N 364.492 2.589 0 50 FFAA O=C(c1ccc([C@H]2CCCN2CCCn2cccn2)s1)N1CCOCC1 20909384 CBNOLASYAULBQZ-MRXNPFEDSA-N 374.510 2.644 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 100835048 PUTVOMDECRKGMB-WDQYXFPCSA-N 367.232 2.963 0 50 FFAA Cc1sc(=O)n(CCC(=O)Nc2nc3c(s2)C(=O)CCC3)c1C 115054181 ZQYMPKJOOUVYOJ-UHFFFAOYSA-N 351.453 2.531 0 50 FFAA C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)[C@@H]1C 246977529 QGAMFACNNXCJMA-IIDMSEBBSA-N 359.470 2.535 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(CC(C)(C)CO)C2)cc1OC 20869394 XNWZNBKZNIXDPB-SFHVURJKSA-N 364.530 2.661 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCN(C[C@H]4CCCO4)CC3)c2c1 69291794 QCUVDVNASCXMNG-QGZVFWFLSA-N 353.466 2.788 0 50 FFAA CC(C)(C)CN1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H]1CCO 20877683 OOXANRWQODNHEU-IBGZPJMESA-N 363.546 2.659 0 50 FFAA CC[C@H]1CN(C(=O)c2cc(CN(C)CCc3ccccc3)on2)CCO1 67588555 OOMAVYMLRPXSTQ-KRWDZBQOSA-N 357.454 2.600 0 50 FFAA COC[C@H]1[C@@H](NC2CCN(c3cccc(Cl)c3)CC2)[C@H]2CCO[C@H]21 1074567152 TZWWYTFPZDQCCD-YDZRNGNQSA-N 350.890 2.948 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 251844343 OOSVSUUUTUVYKX-HOTGVXAUSA-N 351.516 2.549 0 50 FFAA COc1ccc(-n2ncc(-c3nc4cc5[nH]c(=O)[nH]c5cc4[nH]3)c2C)cc1 67816901 KXCSILVWNHCGDU-UHFFFAOYSA-N 360.377 2.902 0 50 FFAA CS(=O)(=O)N1CCC[C@@H]1c1nc(C2CC2)nn1-c1ccc(Cl)cc1 65380362 PSWLIPAFQMDJAK-CQSZACIVSA-N 366.874 2.895 0 50 FFAA CC(C)c1ccc(OCC(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1 1459666 QPZGUHLUHYSHMP-MRXNPFEDSA-N 362.323 2.996 0 50 FFAA NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)cc1Br 124300579 GQSIXRHLAXEFCS-JMCQJSRRSA-N 361.186 2.501 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)c2ccc3c(c2)OCCO3)n1 215811641 DVPPUCKTJCQRPX-UHFFFAOYSA-N 370.453 2.741 0 50 FFAA C[C@@H](c1ccsc1)N1CCN([C@H](C)c2nc(N)nc(Cl)n2)CC1 253427404 FKHAALMBCFUSKU-WDEREUQCSA-N 352.895 2.609 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 12447982 HYWOLMNGVZMGRC-OAHLLOKOSA-N 351.406 2.501 0 50 FFAA Cn1cccc(C(=O)N(C/C=C/c2ccccc2)C[C@@H]2CCCO2)c1=O 215711552 KREWRPMOCDRJNA-DNXKIMQPSA-N 352.434 2.720 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)c1=O 71765307 ADIBRSQVCFMDFB-SFHVURJKSA-N 372.440 2.708 0 50 FFAA CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)O 236957051 MYPVEBJGBHGHMN-NXEZZACHSA-N 368.377 2.606 0 50 FFAA O=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 262026077 ZMNBFBDSIWXQTO-CRAIPNDOSA-N 370.522 2.747 0 50 FFAA CCOc1c(Cl)cc(/C=C/C(=O)N(C)C2CCNCC2)cc1OC 237052913 JYNDKTLCRJASBT-AATRIKPKSA-N 352.862 2.971 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 72453508 QCLUQIFNXVUMAD-OAHLLOKOSA-N 359.470 2.939 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C(C)(C)N1CCOCC1 72423721 UBRFWNABINKWSW-UHFFFAOYSA-N 359.495 2.879 0 50 FFAA COc1ncc(C)cc1NC(=O)N1CCCN(c2ncccc2F)CC1 373696055 SYDOHDUOQRVUOS-UHFFFAOYSA-N 359.405 2.677 0 50 FFAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 72140405 UYOWOBOLEAXFKE-OAHLLOKOSA-N 362.389 2.595 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H](c1cccnc1)N1CCCCC1 82125326 WOOGPFZRPVILLE-HXUWFJFHSA-N 369.513 2.708 0 50 FFAA CCCc1oncc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82140077 HEUNXMNZBWPSSO-UHFFFAOYSA-N 359.474 2.615 0 50 FFAA O[C@@H]1CCN(Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 180993051 XKXHCHWIBQIHAO-OAQYLSRUSA-N 350.462 2.819 0 50 FFAA O=C(O)c1cccc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 95353233 KGXADGWFFKHRMO-OAHLLOKOSA-N 363.421 2.804 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)no1 95367546 RVXPFMKIIQSTGQ-ZDUSSCGKSA-N 357.439 2.704 0 50 FFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)c(C)c1 95498161 ZUBNSKRDOSEWJQ-HNNXBMFYSA-N 370.453 2.998 0 50 FFAA CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1 239402924 RHAYSKZBOMICCO-SLFFLAALSA-N 361.445 2.785 0 50 FFAA CSCCc1nc([C@@H]2CCCN2C(N)=O)n(-c2ccc(F)cc2F)n1 96147795 IEOFQRZIDBXSPW-ZDUSSCGKSA-N 367.425 2.667 0 50 FFAA Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239038915 FDKJSJGIAQCACZ-FKAIMOKRSA-N 365.429 2.652 0 50 FFAA CC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1ncnn1CC 91876389 ZGJLLSJJVKTTRD-AWEZNQCLSA-N 354.414 2.578 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1 95372453 PBZRYAPHFQMZLQ-LJQANCHMSA-N 356.441 2.939 0 50 FFAA COc1ccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1C 91943848 OVDCKTKZFFOCLS-UHFFFAOYSA-N 368.481 2.623 0 50 FFAA Cc1cc(CC(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)on1 91604453 VRMWNKNNGIMJDC-QGZVFWFLSA-N 365.437 2.572 0 50 FFAA Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95505911 GXOXFOGAKGKNTA-INIZCTEOSA-N 358.461 2.912 0 50 FFAA Cc1cc2nc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)cc(C)n2n1 92062120 XLTDUIWOAFNDFR-KRWDZBQOSA-N 365.437 2.563 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 95354613 RBRUVWOLPFQGDN-PWRODBHTSA-N 363.461 2.798 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCn1nc(C)c(C)c1C)C2 91737025 QZOVRTUQPCOLTD-MRXNPFEDSA-N 357.454 2.575 0 50 FFAA COc1cc(NC(=O)CCN2CC[C@](O)(c3ccccc3)C2)cc(OC)c1 244898882 ZDFNHTUDNLCPCQ-OAQYLSRUSA-N 370.449 2.626 0 50 FFAA COc1ccc(CNC(=O)CCN2CC(c3nc4ccccc4[nH]3)C2)cc1 244795815 ROEXMKNNQRUQFH-UHFFFAOYSA-N 364.449 2.677 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1F 242774554 DTWUDKMVYVNXFD-VXGBXAGGSA-N 360.316 2.907 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)c3[nH]cnc3C)C[C@@H]1N(Cc1cccs1)CC2 534656005 SCPLRXWHNLQRPM-SIXWZSSISA-N 374.510 2.722 0 50 FFAA NCCCOc1cc(Cl)ccc1C(=O)N1Cc2ccccc2[C@H](O)C1 299771318 YAVNVZDRLNFSQL-QGZVFWFLSA-N 360.841 2.757 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCCNc2cccnc2)cc1 299755257 DRZMFGCXXRVKPD-AWEZNQCLSA-N 353.426 2.831 0 50 FFAA COc1cccc(SCC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 824787720 HCGYSEIZOCYZKE-CQSZACIVSA-N 374.462 2.801 0 50 FFAA CC(C)(Cn1cnc2cccc(C(F)(F)F)c2c1=O)N1CCOCC1 584896063 UJPXGKWYSQSKOF-UHFFFAOYSA-N 355.360 2.526 0 50 FFAA O=C(Nc1ccc(F)cc1F)NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 952861253 ZEIQBOBLNPHYGJ-CCHVVGMOSA-N 374.395 2.821 0 50 FFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)CNC(=O)c2ccccc2)c1 952986990 HVDHOXUJIZMQLC-UHFFFAOYSA-N 369.421 2.658 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cc(F)c(F)c(F)c1 1565528299 OCQZWHYKXWFUGH-HOTGVXAUSA-N 357.372 2.903 0 50 FFAA O=S(=O)(Cc1ccon1)N1CCn2c(cc3ccc(Cl)cc32)C1 278939779 XMGABHWFWFXDOS-UHFFFAOYSA-N 351.815 2.628 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(c1ncnc3[nH]ccc13)CC2 275894588 ZUVZZPCMYKSRLP-CQSZACIVSA-N 354.483 2.905 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)COc2ccccc2OCc2ccccc2)C1 269215647 YBTXTGZFDUINDD-INIZCTEOSA-N 355.390 2.578 0 50 FFAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccnc2ccncc12 185834894 LKOBFYPBLPVHAH-KRWDZBQOSA-N 374.444 2.593 0 50 FFAA CCO[C@H]1C[C@](NC(=O)Cc2c[nH]c3c(C)cccc23)(C(=O)O)C1(C)C 193050707 YRSHCWJFLMKTIB-YWZLYKJASA-N 358.438 2.793 0 50 FFAA COc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1O 1529186048 UQVWVXYNIUYRKW-RTBURBONSA-N 354.450 2.659 0 50 FFAA O=C(c1ccn[nH]1)N1CC[C@H]2[C@H](CCC(=O)N2CCC2=CCCCC2)C1 215270786 SMFHIWVPOSOFOD-AEFFLSMTSA-N 356.470 2.753 0 50 FFAA O=C(Nc1ccnn1C1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCOC1 11841937 XLINLPAIKYOBOY-INIZCTEOSA-N 374.485 2.602 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C1 12194636 ZMESEGFMZYFFAI-HNNXBMFYSA-N 372.421 2.955 0 50 FFAA O=C(c1ccoc1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 12198431 NPWQZXIWDYYWOF-NRFANRHFSA-N 352.434 2.977 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 12315521 MHQMNNSBRODDIN-MRXNPFEDSA-N 371.868 2.937 0 50 FFAA O=C(c1ccncc1)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1 19885534 YWGNDDPNHTVWBL-UHFFFAOYSA-N 353.451 2.954 0 50 FFAA CCCOCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)cc3)C[C@]23CC[C@H]1O3 1857739315 NYGMVILNLMCPJY-GPQLQYNLSA-N 372.509 2.517 0 50 FFAA COc1ccccc1OCCCN1C(=O)[C@]2(CCNC2)c2ccccc21 1875243772 WPKONRFKULSCHE-NRFANRHFSA-N 352.434 2.742 0 50 FFAA Cc1nc(SCC(=O)NC[C@H]2CCCO2)c2c3c(sc2n1)CCC3 937448 MXDDROHGPFIQMI-LLVKDONJSA-N 363.508 2.876 0 50 FFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)NCCC2=CCCCC2)c1=O 14988997 BXCQBYSBPZGLKY-UHFFFAOYSA-N 373.497 2.874 0 50 FFAA CNS(=O)(=O)c1ccc([C@H](C)Nc2ncnc3c(F)cccc23)cc1 252487857 ICPZQFYNKNGNBF-NSHDSACASA-N 360.414 2.850 0 50 FFAA O=C(NCc1cnc2n1CCCC2)[C@@H](c1ccccc1)N1CCCCC1=O 375301750 HTTCYJVEXPQGAF-HXUWFJFHSA-N 366.465 2.589 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1c1ccccc1 909836933 UMXIJWHPRYFAQE-MISYRCLQSA-N 364.445 2.840 0 50 FFAA Cc1ccc([C@H](O)CNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc1F 1875360867 KYPRMMRQOQXVEL-IEBWSBKVSA-N 370.424 2.727 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)CC1 1875365777 YFJIKVQMPFDYAG-QFBILLFUSA-N 356.466 2.708 0 50 FFAA O=C(Nc1cccc(CC[C@@H](O)c2ccccc2)c1)[C@@H]1CNC2(CC2)CO1 2325799350 PPFLBLLIFICUOD-UXHICEINSA-N 366.461 2.812 0 50 FFAA NC(=O)c1ccccc1Oc1ncccc1C(=O)Nc1nccn1C1CC1 2325855607 HVSHNTQHWYZMBT-UHFFFAOYSA-N 363.377 2.757 0 50 FFAA CN1CCN(c2nnc(-c3cccnc3)s2)C[C@@H]1Cc1ccccc1 2325857095 OZLQSLRYJVRDND-KRWDZBQOSA-N 351.479 2.963 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 1165344 FRESPEPPHPIOMZ-CQSZACIVSA-N 370.380 2.994 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)Nc1cc(-c3ccccn3)nn1C)C2 2356134610 ULHWZLRXSSCWPN-AWEZNQCLSA-N 364.405 2.681 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC 3077570 FFCREVYRHWHYCJ-WBMJQRKESA-N 358.394 2.849 0 50 FFAA C[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 4038823 UYQZNIHSOJSJEF-JTQLQIEISA-N 351.387 2.920 0 50 FFAA CCCCNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 4844980 QRUIZTZTTMODSM-SFHVURJKSA-N 354.406 2.995 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1 6714345 DBWVXMLYRVXRAZ-UHFFFAOYSA-N 354.834 2.990 0 50 FFAA Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c(C)c1 10449135 HJENMLOJGIPVBH-UHFFFAOYSA-N 358.463 2.659 0 50 FFAA COCCN1CCC(CN(Cc2ccncc2)Cc2ccncc2)CC1 55211410 JHZXWSNMDUZPDV-UHFFFAOYSA-N 354.498 2.837 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 9668504 LTQSZONGEQQFRE-HNNXBMFYSA-N 351.406 2.945 0 50 FFAA CC(C)C(=O)[C@H]1C(=O)N(C(=O)NC(=O)c2ccccc2)c2ccccc21 101173042 DLODQFZMFNLOGX-INIZCTEOSA-N 350.374 2.892 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@@](CO)(CCCc2ccccc2)C1 67675519 KPRHTAPTLIJOON-NRFANRHFSA-N 353.466 2.782 0 50 FFAA CN(C(=O)CCN1CCCC1=O)[C@@H]1CCCN(CCCc2ccccc2)C1 67739793 APSGCSWHFHDUAF-HXUWFJFHSA-N 371.525 2.555 0 50 FFAA Cc1ccc(C2(CN(C)C[C@H]3COc4ccccc4O3)CCNCC2)nc1 65385665 LLHVIEHUGUMYME-SFHVURJKSA-N 367.493 2.783 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)N1CCC[C@H](OCc2ccccn2)C1 67934988 CCIGCEBDEGZVFN-KRWDZBQOSA-N 368.481 2.824 0 50 FFAA O=C(NCc1ccsc1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12196157 RXJDWWRINTYYQD-INIZCTEOSA-N 360.454 2.985 0 50 FFAA CC(C)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 65362997 BDVLUZIHHJGRGI-KRWDZBQOSA-N 352.500 2.562 0 50 FFAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)[C@H]1CCCCNC1=O 252514751 DCQWLRYLDFCSQQ-MJBXVCDLSA-N 370.371 2.816 0 50 FFAA CN(C)C[C@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 120805588 ICIWUXLWLRGBHQ-HNNXBMFYSA-N 351.422 2.551 0 50 FFAA COc1ccccc1N1CCC(Nc2ccc(C(=O)N(C)C)cn2)CC1 171986068 XTYLESLSBRKVSC-UHFFFAOYSA-N 354.454 2.873 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CCC1=O 77470061 HGAYGPSNBASMDK-FQEVSTJZSA-N 358.486 2.932 0 50 FFAA CC(C)CCn1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)nn1 151026193 WWOCXUBPIVRMQC-UHFFFAOYSA-N 373.476 2.811 0 50 FFAA C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 151987478 BGHWZBWHMFRZOA-WBVHZDCISA-N 373.497 2.804 0 50 FFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-n2cnnc2)cc1 214951000 WZCBQNHBDRSYKC-OAHLLOKOSA-N 350.422 2.979 0 50 FFAA O=C1CN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@@H]2CCCC[C@@H]2N1 332181814 VVNWNUQLOIIDOA-UONOGXRCSA-N 357.788 2.571 0 50 FFAA C[C@H]1CN(Cc2csc(NC(=O)c3cncc(F)c3)n2)C[C@H](C)O1 123738692 QUPYNIUNDIKNQZ-QWRGUYRKSA-N 350.419 2.539 0 50 FFAA O=C(C[C@@H]1COCCN1C(=O)CCCc1cccs1)NC1CC=CC1 72150931 IFYDBUDKJQXAAL-MRXNPFEDSA-N 362.495 2.523 0 50 FFAA CC(C)C[C@@H](Nc1nc(N(C)C)nc2c1CCNCC2)c1cccnc1 72477649 ZQJDJPHISPQNKT-GOSISDBHSA-N 354.502 2.825 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(SCCO)cc1 215452611 QFAQTVRFLVOBBA-OAHLLOKOSA-N 359.447 2.731 0 50 FFAA CCCCN(CC)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71751268 ZLJFYUFQANLLAD-INIZCTEOSA-N 361.486 2.624 0 50 FFAA CN(C)C[C@H](O)COc1ccc(Br)cc1Br 12420352 GGBVNYZQGSIRJO-VIFPVBQESA-N 353.054 2.513 0 50 FFAA O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccnc(C(=O)O)c1 262376120 HLUKZFZUGWUOKG-ZDUSSCGKSA-N 360.341 2.729 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2 72463560 MIPAMFHAKHFVLC-UHFFFAOYSA-N 362.433 2.712 0 50 FFAA Cn1cnnc1SCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 214971968 FYKLYKUNTWHOBZ-UHFFFAOYSA-N 355.467 2.697 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2=O)cc1 77338401 STVCQKSZOAWYMC-UHFFFAOYSA-N 360.417 2.874 0 50 FFAA CCC1(C(=O)NC[C@H]2CCCC[C@H]2O)CCN(C(=O)c2ccccc2)CC1 378586987 ZKZIMMAKAMEPAA-RTBURBONSA-N 372.509 2.986 0 50 FFAA CSc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cs1 223575030 XZNIXQBNQFDVTG-TZMCWYRMSA-N 368.455 2.970 0 50 FFAA C[C@H](NC(=O)c1cnc(C(C)(C)C)[nH]c1=O)c1ccccc1-n1cccn1 82114442 LJYJBGUHKIYDHZ-ZDUSSCGKSA-N 365.437 2.744 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 221212217 SXEFYVYQPYZWLE-HNNXBMFYSA-N 353.875 2.695 0 50 FFAA CC(=O)c1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 175647084 FXAYQQYOGYQZFF-UHFFFAOYSA-N 358.482 2.902 0 50 FFAA COc1ccc(Nc2ncnc3c2cnn3C)cc1N1CCCCC1=O 193917946 AIEOVJZUUWTQDC-UHFFFAOYSA-N 352.398 2.632 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 19147481 VZDQEWCAABJHPR-AWEZNQCLSA-N 353.401 2.965 0 50 FFAA CCOc1ccccc1CN(C(=O)N[C@H]1CC(=O)N(C(C)C)C1)C1CC1 426396640 QGPLFCZCJJCWOD-INIZCTEOSA-N 359.470 2.769 0 50 FFAA CCCCNC(=O)CN(C)C(=O)c1cccc(-c2ncccc2OC)c1 426490558 RJTIRBOSBHJHAK-UHFFFAOYSA-N 355.438 2.746 0 50 FFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC(Cc2ccc(F)cc2)CC1 82097334 FERQANMQYWGWLX-INIZCTEOSA-N 351.443 2.555 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 226627927 DMZFHWXMPCRDFN-WOUAJJJCSA-N 355.390 2.511 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 96152106 YJXLQWSPIMKGIJ-UHFFFAOYSA-N 370.457 2.636 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2cccc(CCC(=O)N(C)C)c2)n1 426389525 WTSGCKFESRDUHL-OAHLLOKOSA-N 371.485 2.731 0 50 FFAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCN(Cc2cccnc2)CC1 91586030 FKXGCYPMOYSEOH-UHFFFAOYSA-N 365.412 2.569 0 50 FFAA Cc1ccnc([C@H](NC(=O)c2ccc3c(c2)ncn3CCO)C2CC2)c1 97635018 GLHGPPWBKRCKRU-LJQANCHMSA-N 350.422 2.613 0 50 FFAA O=C(c1coc(CN2CCOCC2)c1)N1CC[C@@H](c2ccccc2F)C1 95380149 ZGWZEUGYIKAVGR-OAHLLOKOSA-N 358.413 2.881 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cccc(-c4cnn(C)c4N)c3)C2)n1 426497068 XCFWGNPDPAPSPF-KRWDZBQOSA-N 364.453 2.570 0 50 FFAA O=C(c1ccco1)N1CCC(N[C@@H](c2nnc[nH]2)C2CCCCC2)CC1 292904995 DTNUZTKFIZIMMP-QGZVFWFLSA-N 357.458 2.914 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1scc3c1OCCO3)C2 91707981 NSTKXZCTTQOBSM-LLVKDONJSA-N 361.419 2.509 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)cn1 95526698 ASBKYIZIPMJXIO-AWEZNQCLSA-N 370.482 2.624 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(-n3cccn3)cc1)C2 96149362 KVFBLODQNXCDEO-HNNXBMFYSA-N 363.417 2.862 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCn1nnc2ccccc21 91326624 AMTWSLNWSUNQPG-KRWDZBQOSA-N 363.465 2.806 0 50 FFAA NC(=O)CN1CCC[C@H](c2nc(C3CCCC3)nn2Cc2ccccc2)C1 95499663 KDWBKSQIZNHHDT-SFHVURJKSA-N 367.497 2.649 0 50 FFAA CCc1nc(C)c(C(=O)NC[C@H](O)COc2ccc(Cl)c(C)c2)o1 97681796 OFEVQMXFOYSMBD-LBPRGKRZSA-N 352.818 2.677 0 50 FFAA CCc1nccn1CCCNC(=O)Nc1cc(NC(C)=O)ccc1OC 95503914 ZCJBINGSDFNGLB-UHFFFAOYSA-N 359.430 2.624 0 50 FFAA CC(C)COc1ncc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1Cl 180696677 NIPKWGIXDUHRSP-CQSZACIVSA-N 366.767 2.909 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)CN1C[C@H](c2ccccc2)CC1=O 95499736 TVEZCVNNYRQPFI-MRXNPFEDSA-N 367.449 2.528 0 50 FFAA CN(C)[C@@H](C(=O)N1CCCN(Cc2ccncc2)CC1)c1ccccc1F 95382707 PVKCNBDZIRQHTE-HXUWFJFHSA-N 370.472 2.558 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cnn(C)c2C)C3)cc1 92099548 NXKPUBCJEKLXGU-AZUAARDMSA-N 354.498 2.834 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cc1 92001386 SYIWMDWNWBSFDK-HXUWFJFHSA-N 352.478 2.879 0 50 FFAA Cc1cnc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 91755961 AVLYWRMAVKMZOX-FQEVSTJZSA-N 356.470 2.572 0 50 FFAA CCc1c(C(=O)Nc2ccsc2C(=O)OC)cnn1-c1ccccn1 252483315 DYXPVQYCASBEMX-UHFFFAOYSA-N 356.407 2.930 0 50 FFAA CCn1cnnc1[C@H](C)NC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 534663475 SMCXEKZKAURCJW-JTQLQIEISA-N 361.837 2.730 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N1CC[C@@](O)(CO)C1 299778010 PHKVIVNELSOFLG-NRFANRHFSA-N 370.449 2.659 0 50 FFAA CCCOc1ccc(CCNC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 584897193 WUWBDBGCUDDTRC-UHFFFAOYSA-N 373.497 2.814 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)Nc1cccc(NC(=O)CN(C)C)c1 823676208 UZBVWLGBBVLJRV-CQSZACIVSA-N 357.458 2.706 0 50 FFAA COCc1nc(CCCN2CCCC2=O)n(-c2cccc(Cl)c2C)n1 824490591 NVGVYSUTMBXOPF-UHFFFAOYSA-N 362.861 2.931 0 50 FFAA C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)Cc1cccc2ccccc12 584896912 FDXRIQHPCXXPFG-KRWDZBQOSA-N 369.509 2.774 0 50 FFAA O=c1c2c3c(sc2ncn1CCc1nc(-c2ccccn2)no1)CCC3 584892254 SCUDXVNYWIZBPY-UHFFFAOYSA-N 365.418 2.634 0 50 FFAA Cc1nc2c(c(N3CCN(Cc4nc5ccccc5[nH]4)CC3)n1)CCCC2 302090420 LXGAOEHWMJVOFO-UHFFFAOYSA-N 362.481 2.862 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2ccc3ncccc3c2)o1 275296992 HGJYZDHRSZEGIC-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA Cc1nnc(CCNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)n1C 170610138 CSQQCJXBDCIXHV-UHFFFAOYSA-N 366.469 2.579 0 50 FFAA CCC[C@]1(C)C(=O)NCCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 187346455 MTHIDDBQZIPXOK-QGZVFWFLSA-N 368.359 2.645 0 50 FFAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1nnc(Cc2cccc(F)c2)s1 188905804 VIDRZHPIHSDEPA-RYUDHWBXSA-N 350.419 2.549 0 50 FFAA C[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1nnnn1C1CCCCC1 189760830 IAHFUKJDAWCUFM-LBPRGKRZSA-N 364.475 2.723 0 50 FFAA Cn1c(N[C@@H]2CCCN(C(=O)c3ccco3)C2)nc2cc(C(=O)O)ccc21 1506412794 FGLJWOMNFCFYNN-CYBMUJFWSA-N 368.393 2.581 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(N2CCCCC2)cc1 1704326244 ZAHPOIPOHGKZRT-UHFFFAOYSA-N 369.513 2.912 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)CCCc3ccc(F)cc3)C[C@@H]12 1704299807 KLOBLNKKKXCQCO-XLIONFOSSA-N 362.445 2.546 0 50 FFAA CCc1ccc(CN2CCCN(C(=O)[C@H](C)N3CCCCC3)CC2)nc1 1775984543 YLXGRHKEDUWTTB-SFHVURJKSA-N 358.530 2.553 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCC(c3nc(N)n[nH]3)CC2)o1 1772701473 PBHFSDYXWKSRNV-UHFFFAOYSA-N 369.429 2.610 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772712690 WQIUQKCEESYACO-KNQAVFIVSA-N 365.429 2.846 0 50 FFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc2nsnc2c1 5092302 LVJRPAMDIHTJSB-UHFFFAOYSA-N 369.431 2.659 0 50 FFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 13153128 DVAITSLMLOSNOV-CHWSQXEVSA-N 372.494 2.901 0 50 FFAA CCN(CC)CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 2677406 LHROZJPAXIVKCC-CYVLTUHYSA-N 369.465 2.817 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C3Cc4ccccc4C3)C[C@]23CC[C@H]1O3)C1CCC1 1857719799 VVILNLAVVDVSQV-ZZLPTCMGSA-N 366.505 2.550 0 50 FFAA O=C1CCOC2(CCN(CCC(F)(F)F)CC2)CN1Cc1ccccn1 1857725338 QVVGUKGRAPUWKN-UHFFFAOYSA-N 371.403 2.618 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc(O)n1 121728294 XJJWKKRZDOFSEA-KRWDZBQOSA-N 367.449 2.832 0 50 FFAA Cc1ccc(NC(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1Cl 451231874 WOGRDSWKLKKNEW-LSDHHAIUSA-N 371.868 2.868 0 50 FFAA CCOc1c(Cl)cc(CNC(=O)c2cc(C(=O)O)co2)cc1OC 262416010 ZAQJHDDUHQXRRV-UHFFFAOYSA-N 353.758 2.969 0 50 FFAA Cc1noc2ncc(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)cc12 263849695 YNGMSIXNTPLFFD-AWEZNQCLSA-N 354.366 2.758 0 50 FFAA COCc1nc([C@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2C2CC2)n[nH]1 952850720 OYYVHOMFBDPYKA-NEPJUHHUSA-N 351.813 2.769 0 50 FFAA C=CC(=O)N(Cc1cn(C(C)(C)C)nn1)Cc1cccc2nsnc12 1875386353 OCQFTXORHAPHIV-UHFFFAOYSA-N 356.455 2.753 0 50 FFAA NCc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c1 1875315055 GGOTYTITTUSLQB-YUVXSKOASA-N 361.489 2.844 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)[C@@]1(C)OCCc2ccccc21)c1ccccc1 1875386311 MIFXKFGCBJDJMA-UGKGYDQZSA-N 364.445 2.634 0 50 FFAA O=C(N1CCc2cc(C(F)(F)F)cnc21)[C@@]1([C@H]2CCCO2)CCCO1 1875406219 ZQEYKBFXEHEAAR-CJNGLKHVSA-N 356.344 2.718 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)NC1CC2(CC(CN=c3[nH]nc(C(F)F)s3)C2)C1 1875406582 HRRGEXONBZPXPJ-HNSSXVADSA-N 356.442 2.641 0 50 FFAA CC(=O)c1c(C)cc(NC(=O)C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1C 890056276 TZUVIMVICZVMCR-DOTOQJQBSA-N 360.454 2.764 0 50 FFAA COc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 840756 YLRXWELMZMNEGF-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2CC(O)(c3cccc4ccccc34)C2)c2nccn21 847380995 ABFYCJRRYZOKDR-KDOFPFPSSA-N 362.433 2.955 0 50 FFAA O=S(=O)(c1ccc(-n2cccc2)cc1)N1CCC(c2cccnn2)CC1 2325804132 WTMMKJZLKZYDNJ-UHFFFAOYSA-N 368.462 2.836 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2cscc2Br)C1 2325888415 QZCFHUUDAWBLMH-JTQLQIEISA-N 357.273 2.551 0 50 FFAA COC(=O)c1c(C(=O)OC)c2cccnn2c1C(=O)c1ccc(Cl)cc1 632526 ONBWZBDDTSUSMG-UHFFFAOYSA-N 372.764 2.792 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CC1 2356137344 WGMQTHJJQQBVOH-UHFFFAOYSA-N 366.417 2.795 0 50 FFAA CC[C@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2988185 SVFMSRORGOPZFE-VIFPVBQESA-N 353.271 2.674 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)Nc2ccccc2OCC)CC[C@@H]1O 2356163202 RRLFCOVCXFFFLL-MAUKXSAKSA-N 350.415 2.555 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4184898 VABIQKPCCCDSJK-MSOLQXFVSA-N 356.447 2.916 0 50 FFAA O=C(c1ccccc1Cl)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4866625 LLADQJPRZVEVRS-LBPRGKRZSA-N 353.827 2.763 0 50 FFAA CCNC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C)c1ccccc12 6624170 XJZAVAREIRAVBP-JOCHJYFZSA-N 374.444 2.976 0 50 FFAA biogenic O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3F)no2)CC1 6872973 NWYIJVWXEIZSCU-UHFFFAOYSA-N 369.352 2.672 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225490740 KRWDLVATXKCOOP-SWLSCSKDSA-N 352.312 2.754 0 50 FFAA CC(C)c1cc(N2CCC[C@H](c3nnc4n3CCC4)C2)nc(N(C)C)n1 462829081 WORCBZJSDVSWNL-AWEZNQCLSA-N 355.490 2.588 0 50 FFAA O=C(Cn1nc2ccccc2n1)N1CCc2[nH]nc(C3CCCCC3)c2C1 20860260 JPQRZVTZRKZFGB-UHFFFAOYSA-N 364.453 2.787 0 50 FFAA O=c1cc(CN2CCc3onc(-c4ccccc4F)c3C2)nc(C2CC2)[nH]1 67489950 GHPLVEFBYHZCKB-UHFFFAOYSA-N 366.396 3.000 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCCC(CO)(CO)C3)c(C)o2)cc1C 67879131 MHIARVFDRYOXMC-UHFFFAOYSA-N 374.481 2.842 0 50 FFAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@@H]3c1cc(=O)c2ccccc2[nH]1 65422400 CPRUZRVAKGUBOG-CQSZACIVSA-N 358.401 2.636 0 50 FFAA c1ccc(OCc2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 11873474 LZESEGYSEGRLHN-UHFFFAOYSA-N 374.510 2.662 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(N[C@@H]3CCOC3)nc2)cc1 67447210 PWQYNPOFTJAZHM-QGZVFWFLSA-N 355.438 2.654 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 65526522 PQUOQDSLCBDJAO-NRFANRHFSA-N 360.461 2.588 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(c3nccnc3C)C2)cc1OC 72480602 JKFWIQUUAGXZIU-GOSISDBHSA-N 370.497 2.946 0 50 FFAA CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@H](C)CN(C)C 252493121 MZPOJAYASFZVSK-OAHLLOKOSA-N 360.502 2.907 0 50 FFAA Cc1cc(F)ccc1CS(=O)(=O)NC(=O)Cc1c[nH]c2ccccc12 252489639 JVGILALPGQJIDK-UHFFFAOYSA-N 360.410 2.804 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@H](C)O)co3)ccc2s1 67772697 TYYQQOKMOCAZHK-JTQLQIEISA-N 361.423 2.625 0 50 FFAA Cc1cc(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)[nH]n1 12301280 CTAHGGRXUMEHJU-UHFFFAOYSA-N 352.438 2.943 0 50 FFAA CC(C)c1nc([C@H](C)NS(C)(=O)=O)n(-c2cccc3cccnc23)n1 65424814 HLNRNOMQSIWPPL-LBPRGKRZSA-N 359.455 2.549 0 50 FFAA CCCc1nc(C(N)=O)nn1Cc1cccc(NC(=O)OC(C)(C)C)c1 253431507 VZEWLZUHXPSITD-UHFFFAOYSA-N 359.430 2.725 0 50 FFAA Cc1n[nH]c(=O)c2c(NC(=O)CN3CCC[C@H]4CCCC[C@H]43)oc(C)c12 230161191 OIGSKGCCRWEIMO-ZIAGYGMSSA-N 358.442 2.726 0 50 FFAA Cn1cc(CNC(=O)N2CCCC[C@@H]2c2ccnn2C)c(C(F)(F)F)n1 281712711 BVSMYRYAAUZQDL-CYBMUJFWSA-N 370.379 2.609 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)N1CCO[C@H](c2cccs2)C1 363871845 IEVXDRIZZIWJGQ-HNNXBMFYSA-N 369.450 2.612 0 50 FFAA CC(C)c1noc([C@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)n1 77340879 MWCGNBWJRKZHEM-CQSZACIVSA-N 353.419 2.999 0 50 FFAA CNC[C@H]1CCN(C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)C1 328595822 FOQJMZJMNXKCIB-ROJDOSBLSA-N 356.445 2.709 0 50 FFAA C[C@@H](c1nc(N)nc(N(C)C)n1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 328839275 UFVCAZCIBOMBAL-IAOVAPTHSA-N 350.470 2.901 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccncc3C(F)(F)F)CCO2)o1 282351687 YEQZJNYAUBTZQF-LBPRGKRZSA-N 370.331 2.821 0 50 FFAA Cc1ncnc(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)c1C 72417968 UDBNQKGXGKKADO-UHFFFAOYSA-N 351.410 2.523 0 50 FFAA Cn1c2c(cc(C(=O)NCc3cccc(OC(F)F)c3)c1=O)CCCC2 215093510 AWRURMNXUMIJTA-UHFFFAOYSA-N 362.376 2.796 0 50 FFAA CC(=O)NCCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 77377545 WFJFMESRWOINED-KRWDZBQOSA-N 354.454 2.617 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C 282853081 QIMFRWNNICDCFX-LJQANCHMSA-N 354.498 2.986 0 50 FFAA O=C(COc1ccccc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 215317554 LALYJMOPEIOLIH-HXUWFJFHSA-N 350.462 2.767 0 50 FFAA COCc1ncc(CN2CCC[C@@H](COc3ccc(OC)cc3)C2)cn1 72165207 YVGXELVJPQBNKK-MRXNPFEDSA-N 357.454 2.923 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCN(c2ccncc2C)CC1)N(C)C 219032197 GQTINYKYUCNHPT-FQEVSTJZSA-N 352.482 2.650 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1ccc2nsnc2c1 215843556 SCJNNDGFIYGUOJ-HNNXBMFYSA-N 370.482 2.704 0 50 FFAA c1nc(NC2CC2)cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 333981166 BOQDYHSMQAJZCH-CQSZACIVSA-N 353.474 2.753 0 50 FFAA C[C@H](NCc1cncn1C)c1cc2c(cc1Br)OCCO2 237519564 HDOHRYPBLBOYEI-JTQLQIEISA-N 352.232 2.805 0 50 FFAA COc1cc(-c2cccc(C(=O)NC[C@@H](C)N3CCOCC3)c2)ccc1O 426628767 NPTODNMWTONUFV-OAHLLOKOSA-N 370.449 2.518 0 50 FFAA CN(C)[C@H]1CCCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 82109255 QLWMQTAQNZEZLW-AWEZNQCLSA-N 352.862 2.596 0 50 FFAA COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)ccc1OCC(N)=O 176543057 BSFJZXSMEVPPEB-WMLDXEAASA-N 368.433 2.578 0 50 FFAA Cc1ccc2nc(CNC(=O)N3CCC(N4CCSCC4)CC3)[nH]c2c1 426648210 XFJBLOAQVLPZFV-UHFFFAOYSA-N 373.526 2.594 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCc4cnn(C)c4)C3)nc12 82127726 QWWIAJPGSJHSBK-MRXNPFEDSA-N 351.454 2.944 0 50 FFAA CN(C)[C@H](C(=O)N1CCCN(Cc2cccnc2)CC1)c1ccccc1F 95374571 AIGAXFPYMWFKLE-FQEVSTJZSA-N 370.472 2.558 0 50 FFAA COC[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1ccnn1C 97822969 JWKFCXGVTZFALR-LBPRGKRZSA-N 358.320 2.828 0 50 FFAA O=C(O)c1cccc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 91908051 RJDFXSCFTGMGHR-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA O=C(CCCN1CCCCC1)N1CCN(c2ncccc2Cl)CC1 95392088 HZRPXPCXHIIAKD-UHFFFAOYSA-N 350.894 2.650 0 50 FFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3cn4ccccc4n3)[nH]c2C1 95367050 JQDRODFUZYWSSP-ZDUSSCGKSA-N 373.416 2.803 0 50 FFAA COCCc1noc([C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91326714 POSHATMKSKSGKX-CQSZACIVSA-N 363.845 2.861 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCO3)CC2 95506988 NKVUXXOFAMRZDA-UHFFFAOYSA-N 368.481 2.898 0 50 FFAA COc1ccc(NC(=O)N(C)Cc2ccc(C)o2)cc1NS(C)(=O)=O 96163512 WXMYJGHJQUIDFE-UHFFFAOYSA-N 367.427 2.632 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91755704 FFDSMKRWCVWURS-OAHLLOKOSA-N 368.466 2.506 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCc3csc4c3CCCC4)o2)CC1 97243777 JXUCROIXJIEPAA-UHFFFAOYSA-N 373.522 2.897 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(CCOc3ccccc3)CC2)on1 91745910 CSZBXHPMRKPNLG-UHFFFAOYSA-N 357.454 2.710 0 50 FFAA CCN(C(=O)c1csc(Nc2cc(F)cc(F)c2)n1)[C@H]1CCNC1=O 296447557 WWUUEZGUZNIHRG-ZDUSSCGKSA-N 366.393 2.516 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cnc(O)c(Cl)c1 253534949 ZDBBTUAMCDGYQA-QEORTHHSSA-N 374.824 2.618 0 50 FFAA C[C@@H](C(=O)NC1CCCC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183189029 PQTHXDWSOOFFBR-LBPRGKRZSA-N 358.408 2.986 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)c1)c1ccnc(O[C@H]2CCOC2)c1 183327117 OXEPTDJBWDOEDO-KRWDZBQOSA-N 350.378 2.687 0 50 FFAA COCC1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 534652961 ZGCWGFONJSVFMR-CYBMUJFWSA-N 374.441 2.874 0 50 FFAA C[C@H](C(=O)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1)c1ccccc1 263615126 ARJJZRAGWTYLLH-KRWDZBQOSA-N 373.456 2.980 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cnc(C3CC3)nc2)C1 456351888 XIQNXXADGNAOSC-INIZCTEOSA-N 350.466 2.948 0 50 FFAA CCc1nccn1CC1(CNC(=O)[C@H](C)n2cnc3ccccc32)CC1 299759390 RKNPQLWDZMQQOE-HNNXBMFYSA-N 351.454 2.953 0 50 FFAA O=C(COC[C@H]1CCCO1)NCc1cc(-c2ccc(Cl)cc2)no1 299763476 WZTJTQLPEFFUDE-CQSZACIVSA-N 350.802 2.807 0 50 FFAA CCN(CC)c1ccc(-c2cccc(C(=O)NC[C@@]3(O)CCNC3)c2)cc1 299802706 NRVCHTJPQLWBOV-JOCHJYFZSA-N 367.493 2.654 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)NC[C@H](C(C)C)N3CCCC3)CC2)nc1 584899130 XOFSHKNRHIOJQT-GOSISDBHSA-N 374.529 2.503 0 50 FFAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)CCOc2ccccc2)C1=O 952869976 RXBPHHWTMYFOEM-CYBMUJFWSA-N 353.378 2.539 0 50 FFAA CSCCN1CCC(NC(=O)CC2CC(C)(C)NC(C)(C)C2)CC1 952987698 MNVHTXYZTXCXRO-UHFFFAOYSA-N 355.592 2.877 0 50 FFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 276837939 IIWIJGQAYSRIHZ-KSSFIOAISA-N 357.410 2.587 0 50 FFAA O=C1O[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1CCc1ccccn1 1565511465 ISRXHZNCCVGRPH-UXHICEINSA-N 362.433 2.811 0 50 FFAA CCCN1C(=O)CCc2cc(NS(=O)(=O)N3CCC[C@@H]3C)ccc21 185288250 GDFZYHKSICCUDR-ZDUSSCGKSA-N 351.472 2.517 0 50 FFAA CCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2nc3ccccc3n2C)C1 186774672 FIUOGYWAWZBPFU-CQSZACIVSA-N 356.470 2.573 0 50 FFAA C[C@H](NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[C@@H](O)c1cccc(F)c1 771732274 JEECLSFYEAVUFM-YVEFUNNKSA-N 374.387 2.922 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCN(CCc2ccccc2)CC1 1506397872 FILXYWKMSIYVDG-NRFANRHFSA-N 368.477 2.990 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cc(C(C)C)on3)C[C@@H]2NC(C)=O)cc1 213306649 GAWWHEQTDLRJMP-AEFFLSMTSA-N 371.437 2.551 0 50 FFAA Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=N)NC2=O)cc1 5092638 OYKXXMIIXSEYJP-GDNBJRDFSA-N 374.443 2.901 0 50 FFAA COc1ccc(Oc2ccc(C(=O)N3CCC([C@@H](O)CO)CC3)cc2)cc1 1772709659 IWVPMHBSBNKOSR-FQEVSTJZSA-N 371.433 2.693 0 50 FFAA CCCC(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11980032 LHIIIBAQZLWXLX-QGZVFWFLSA-N 373.474 2.977 0 50 FFAA O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)C2)CC1 12587490 ANWMFIBFHYSLQR-QGZVFWFLSA-N 354.450 2.509 0 50 FFAA COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1OC1CCN(C(C)=O)CC1 12595868 AELZLGXRIMSMKA-ZDUSSCGKSA-N 360.454 2.613 0 50 FFAA Cc1cccc(-n2cc(CN(CCO)CCO)c(-c3cccc(F)c3)n2)c1 15078040 HEWVFHWKZNMTCN-UHFFFAOYSA-N 369.440 2.773 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c(OC)c1 19552374 JUNYLDXSKKSHLB-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCN(c2ccc(O)cc2)CC1 19771250 ZJTMGCYLIZIOQI-MRXNPFEDSA-N 357.479 2.841 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 19924169 FIYCEFYCDUBCLQ-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA O=C1NC[C@H](NCc2ccc(F)cc2F)n2nc(-c3cccs3)cc21 169754504 LJBYIKJJMMEITO-MRXNPFEDSA-N 360.389 2.922 0 50 FFAA Fc1ccccc1N1CCC(N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)CC1 1857716462 NCWQULQVVAQRPF-BBTUJRGHSA-N 359.489 2.636 0 50 FFAA C1CC[C@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 3896102 BBGKDYHZQOSNMU-WTGUMLROSA-N 372.502 2.722 0 50 FFAA in-vitro Cc1c(C(=O)N2CCC(Oc3ccccn3)CC2)nnn1CC1CCCC1 333315755 OKAXLQIENINEQH-UHFFFAOYSA-N 369.469 2.855 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1ccc(N(C)C)nc1 377108787 SHHCQTSJBHNITA-ZDUSSCGKSA-N 354.458 2.614 0 50 FFAA Cc1cc(C(=O)NC2(CC(=O)O)CCOCC2)ccc1Br 263183491 RSVHSJMPUKKNAO-UHFFFAOYSA-N 356.216 2.511 0 50 FFAA C[C@@H](c1nccn1-c1ccccc1)N1C(=O)N[C@H](CC2CCOCC2)C1=O 924879962 BGBDQCZYUGQCCI-WMLDXEAASA-N 368.437 2.670 0 50 FFAA N[C@@H]1CC[C@H](C(=O)NCc2cc3c(nc2O)CCCC3)c2ccccc21 1875287805 ZZERVWAQHHWAPO-ZWKOTPCHSA-N 351.450 2.860 0 50 FFAA C[C@H]1C[C@@H]1C(=O)N1CC[C@H](CN(C)C(=O)c2cc3ccccc3n2C)C1 1875344440 KVFDZJQRZIHKCE-UXLLHSPISA-N 353.466 2.755 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1 1875363399 YDTYNPZJFPSNMS-CQSZACIVSA-N 354.410 2.597 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(S(=O)(=O)c2ccc3ccccc3c2)C1 888077707 QKGKRHOKEYMLSW-NVXWUHKLSA-N 357.435 2.714 0 50 FFAA Cc1ccc([C@@]23C[C@@H]2CN(C(=O)[C@H]2CN(C)C[C@@H]2c2cccnc2)C3)cc1 2325783919 KXOQARWYQVAADR-JFYQVNSESA-N 361.489 2.835 0 50 FFAA CN1CCN(Cc2ccccc2CNC(=O)c2cc3ccccc3cn2)CC1 2325856309 JXVHYZPEPCWKMS-UHFFFAOYSA-N 374.488 2.912 0 50 FFAA O=C(Cc1ccc(F)cc1Br)Nc1n[nH]c2c1COCC2 899253865 LDTNNWBQIXMZKS-UHFFFAOYSA-N 354.179 2.565 0 50 FFAA COc1ccccc1NC(=O)c1nnc2cc(-c3ccc(C)cc3)nn2c1N 1122729 UAHIFEHCAFGAHF-UHFFFAOYSA-N 374.404 2.943 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356138754 HMLFNOZIGDKHTQ-UHFFFAOYSA-N 364.453 2.758 0 50 FFAA c1cc2c(cc1O[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 6094187 ZZMNWJVJUKMZJY-AFHBHXEDSA-N 370.357 2.883 0 50 FFAA endogenous,in-man Cc1cc2c(cc1NC(=O)NCCCn1nnc3ccccc31)OCCO2 102547363 GKZBYVNRQXFZIT-UHFFFAOYSA-N 367.409 2.723 0 50 FFAA CCN(C[C@H]1CCN(C)C1)C(=O)CCC(=O)NC1CCCCCCC1 55403065 SFLYOWMWQIJHBX-KRWDZBQOSA-N 351.535 2.796 0 50 FFAA CCNC(=O)[C@@H](C)N1C(=O)C2(CCN([C@@H](C)CC)CC2)Nc2ccccc21 55165875 LCQRYHYEIFYBSZ-JKSUJKDBSA-N 372.513 2.603 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)c1 111834496 GISCMLYHBVENRR-RBUKOAKNSA-N 373.476 2.980 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1C 101761206 AXGDRPKRPVSOCZ-MUQADHOPSA-N 364.511 2.763 0 50 FFAA CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C#N)[C@@H]1c1ccccc1 25691952 LOACLDDBDOFPHY-KHHDVDEJSA-N 363.413 2.950 0 50 FFAA O=C(c1cnnn1-c1ccccc1)N(Cc1cccnc1)Cc1cccnc1 65394725 NRCLXJLOMYNOBW-UHFFFAOYSA-N 370.416 2.900 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)Cc2ccc(F)cc2)n1 65365121 MMAWXKANZSQDLK-UHFFFAOYSA-N 371.460 2.685 0 50 FFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(CCCN3CCCC3)[nH]c2C1 65384993 CYCHDATZHQTLSK-HNNXBMFYSA-N 368.481 2.516 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)NC[C@H]4CCOC4)co3)ccc2s1 67934731 WBTOMAWYALNERC-GFCCVEGCSA-N 373.434 2.938 0 50 FFAA O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1)N1CCOCC1 253369738 HOMYLKIBNCSMSH-SGEJMCJESA-N 368.477 2.718 0 50 FFAA CC(C)CN1C[C@@H](C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CCC1=O 67688347 SAQBOMNEXGQCPL-AWEZNQCLSA-N 358.486 2.511 0 50 FFAA CC1CCN(C[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 252673316 QZDZTCUOUZEBOU-FGTMMUONSA-N 350.890 2.653 0 50 FFAA O=S(=O)(NCC1CC1)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)nc1 171807911 PEHDOZRAPDVZND-GFCCVEGCSA-N 363.405 2.549 0 50 FFAA CCOC(=O)C1(CCOC)CCN([C@H](C)Cn2nc(C)cc2C)CC1 12387669 NTZMAHIYEPIFRT-QGZVFWFLSA-N 351.491 2.570 0 50 FFAA O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 329084123 FOCNZHHVSRCNAP-GOSISDBHSA-N 374.444 2.577 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)Cn3cc(C)cn3)CC2)OC1=O 77440826 SDOFXDHOCRKYNA-UHFFFAOYSA-N 362.474 2.585 0 50 FFAA Cc1cc(C)c2[nH]c(CN3CCC[C@]4(C3)CN(C)C(=O)O4)cc(=O)c2c1 72159399 SVAQYJPPZNUDBD-HXUWFJFHSA-N 355.438 2.562 0 50 FFAA CCSc1ccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)s1 218964253 BYHXAIVLMGLOJQ-ZDUSSCGKSA-N 351.497 2.988 0 50 FFAA O=C(NCc1ccc(OC2CCCC2)cc1)N1CC[C@@H](N2CCOCC2)C1 363844362 ACGWJBZGTSSLID-GOSISDBHSA-N 373.497 2.624 0 50 FFAA CCn1nc(C)cc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71763157 SLFQFJJSZTUDLD-CEWLAPEOSA-N 364.493 2.914 0 50 FFAA O=C(N[C@H](CC(F)F)C(=O)O)c1cccc(Br)c1Cl 261580452 FISLIFUPEVOFGC-SSDOTTSWSA-N 356.550 2.941 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3cnn4c3CCCC4)cn2)c1 72425548 ZWMJZCNUEMZEID-UHFFFAOYSA-N 365.437 2.686 0 50 FFAA Cc1cc(C)n(C2CN(Cc3ccc(OCCn4ccnc4)cc3)C2)n1 216132722 XSNBNCBXQWEVNY-UHFFFAOYSA-N 351.454 2.832 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](C(=O)c2ccccc2)C1 77535705 QCQYHPXTGRISKJ-INIZCTEOSA-N 352.438 2.586 0 50 FFAA NC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 262604250 AXOKMWQWYQEGMA-MAUKXSAKSA-N 352.438 2.581 0 50 FFAA CN(C)c1nc(N2CCN(C(=O)c3ccccc3)CC2)nc2ccccc12 450211679 ARNCXXAAOXERNG-UHFFFAOYSA-N 361.449 2.658 0 50 FFAA Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[C@@H](N)C2)cc1 158051267 KYVMGWRKJFHSJJ-GFCCVEGCSA-N 363.259 2.507 0 50 FFAA CN(C(=O)C1CCS(=O)(=O)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 377112340 OWRUFKGLMOYISX-SJORKVTESA-N 365.495 2.516 0 50 FFAA Cn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCCC2)CC1 77386387 GRIDUUIDRSCXRE-UHFFFAOYSA-N 361.534 2.550 0 50 FFAA C[C@@H]1C[C@H](C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)CC(=O)N1 452259568 NOENYEIGDDYSID-MNOVXSKESA-N 356.344 2.605 0 50 FFAA c1cn(CCCOc2ccc(CN3CCC[C@@H](c4ncn[nH]4)C3)cc2)cn1 215839866 LSZZRNCGPXHLBQ-GOSISDBHSA-N 366.469 2.850 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@@H]2c2nc3ccccc3n2C)cn1 72144919 ZWMMGBWSBAPONV-GOSISDBHSA-N 367.453 2.670 0 50 FFAA Cc1nc(C)c(C)c(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1 82098206 NDPXOKGMPVRCBV-UHFFFAOYSA-N 368.485 2.743 0 50 FFAA O=C(O)c1cccc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)n1 263391469 GKPFHGKBHATEQO-CQSZACIVSA-N 365.389 2.925 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1[nH]c3c(Cl)cccc3c1C)C2 82161243 XNOQOSOLDHGIOF-UHFFFAOYSA-N 371.872 2.978 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ncnc4ccsc34)c2)C1 426584037 OTSVYDJGDJGKGY-CQSZACIVSA-N 366.446 2.696 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC2(c3ccccc3)CC2)CC1 426618084 GSFBDPNNGWOJRQ-KRWDZBQOSA-N 354.454 2.564 0 50 FFAA CCc1ncc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)cn1 82120562 SPJGPVMHJAEVSV-GFCCVEGCSA-N 358.829 2.570 0 50 FFAA CCCCn1nc([C@@H]2CCOC2)nc1CCn1cnc2ccccc2c1=O 96131602 SCGAHAUTVKQXOH-OAHLLOKOSA-N 367.453 2.535 0 50 FFAA O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC[C@H](OCCO)C1 178628094 GNCLXGHVTLIWEZ-SFHVURJKSA-N 365.433 2.639 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)oc2c1 95353601 SWDMIBVGDBAYLH-KRWDZBQOSA-N 359.422 2.896 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CN(CC4CCC4)C[C@@]3(C(=O)O)C2)c(C)c1 96138187 PKEYULNJSXSGAT-DYESRHJHSA-N 356.466 2.562 0 50 FFAA O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](c2ccn(CCO)n2)C1 426652934 NBLBUHDXFJQWSF-GFCCVEGCSA-N 351.809 2.688 0 50 FFAA CCc1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 95379637 TXYJXXYSBLTAIA-KSEOMHKRSA-N 364.493 2.807 0 50 FFAA C[C@@](O)(CCCO)CNC(=O)Nc1cc(F)c(C(F)(F)F)c(F)c1 97813686 NXIPXSLDZPAMEP-CYBMUJFWSA-N 356.291 2.629 0 50 FFAA O=C(N1C[C@@H](CO)c2ccccc21)C1(c2cncc(Br)c2)CC1 293903141 LQVJRRURBXRIPT-LBPRGKRZSA-N 373.250 2.998 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)on1 95505016 YRVFVKKGYMFQCJ-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA COc1ccc2c(c1)OC[C@@H](Cc1cncc(C(=O)N3CCCC3)n1)C2 91620138 KBKODEXUPJGDBS-CQSZACIVSA-N 353.422 2.515 0 50 FFAA O=c1cc(CN2CCC(N3CCSCC3)CC2)[nH]c2ccc(F)cc12 91416756 DISWPQJURUVOQW-UHFFFAOYSA-N 361.486 2.680 0 50 FFAA Cc1cc(C)n(-c2cccc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)c2)n1 96180567 NMPFWQSHLMDQRJ-IBGZPJMESA-N 369.465 2.635 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)Nc3snnc3-c3ccccc3)C2)OC1=O 95509508 AOJOSFBAYNRVIG-QGZVFWFLSA-N 373.438 2.654 0 50 FFAA CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c(=O)[nH]1 91460658 ZBNYIUBWDGVBKN-IAGOWNOFSA-N 357.498 2.835 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC(O)(Cn3ccnc3)CC2)c1 97594981 FZJJTCOJMOJZLA-UHFFFAOYSA-N 365.481 2.917 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ncoc1C1CC1)CC2 96154037 MAJOCLXXHKQUOU-UHFFFAOYSA-N 369.469 2.675 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3ncnc4sccc34)C2)N1Cc1ccccn1 91950751 IBKUBUCJXMRABE-DZGCQCFKSA-N 365.462 2.714 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2OC)n[nH]1 97568823 CJBOKAIDNUBMEU-SFHVURJKSA-N 366.421 2.940 0 50 FFAA Cc1cccnc1[C@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 97370546 KYYPJIOSFWYCCG-GOSISDBHSA-N 373.478 2.535 0 50 FFAA O=C(NC[C@H](O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccncc2)n[nH]1 97742589 DGWINLMBGMJMOL-BAMAOYLXSA-N 366.465 2.779 0 50 FFAA CCn1nc(Cc2cccc(Cl)c2)nc1CC1CCS(=O)(=O)CC1 96139322 ZVKSJPZLTMJOSS-UHFFFAOYSA-N 367.902 2.910 0 50 FFAA CC(C)n1ccnc1C1CCN(c2cc(N3CCC(O)CC3)ncn2)CC1 91416855 YFTFZACTGKVEOX-UHFFFAOYSA-N 370.501 2.599 0 50 FFAA COc1cncc([C@H](NC(=O)CSc2ccccc2)[C@H]2C[C@@H](O)C2)c1 244873533 WRWGPXVXKUTOCE-FRIZHTMISA-N 358.463 2.811 0 50 FFAA COc1cc2c(cc1OC)CN(c1cc([C@H]3C[C@H](N)C3)nc(C)n1)CC2 244701076 JZSPXNHCQQRXAT-KOMQPUFPSA-N 354.454 2.570 0 50 FFAA COCc1nc(NCc2ccccc2-n2cccn2)cc([C@H]2C[C@@H](N)C2)n1 244633264 FZYPHMKWDCGFKT-IYBDPMFKSA-N 364.453 2.626 0 50 FFAA C[C@H](C(=O)Oc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 244852723 UXMMFRICWNOZIQ-HXYUGIAJSA-N 371.820 2.687 0 50 FFAA O=C(CCc1ccc2[nH]ccc2c1)NCc1ccnc(O[C@@H]2CCOC2)c1 181578255 RVSUHVGBRDTWSW-GOSISDBHSA-N 365.433 2.980 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)NC4CCCCC4)c3CO2)cc1 263616672 JZVGYICIANVLMF-QGZVFWFLSA-N 356.426 2.621 0 50 FFAA COC[C@H](NC(=O)N1CCCOc2c(cccc2OC)C1)c1ccccn1 534640768 PQISWVONQUQCDU-KRWDZBQOSA-N 371.437 2.772 0 50 FFAA Cc1ccc([C@H](C)NC(=O)c2ccc(-c3cnn(CCO)c3)cc2)cn1 534581044 GHELRTZZECFEOT-HNNXBMFYSA-N 350.422 2.737 0 50 FFAA CCCn1ncc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1C 72121047 NNUACIOESWLXQU-GOSISDBHSA-N 360.502 2.711 0 50 FFAA Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1cccc(Cl)c1 102615765 HHVMWCYLUWFMHO-SRABZTEZSA-N 371.824 2.560 0 50 FFAA O=C1CCCN1Cc1ccccc1CNc1cc([C@H]2CCOC2)ncn1 299782697 YCWDCFZRRZIWBM-KRWDZBQOSA-N 352.438 2.715 0 50 FFAA CNC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c(C)c2)c1C 648242272 RJYPEUVWBNUESC-UHFFFAOYSA-N 367.449 2.752 0 50 FFAA Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1 163425401 WSSJYFCPNONLNI-NSHDSACASA-N 364.858 2.845 0 50 FFAA COc1ccc(C2(c3noc([C@H]4CC(=O)N(C)C4)n3)CCCC2)cc1OC 277978623 NVBRQOYVEPJDFU-ZDUSSCGKSA-N 371.437 2.893 0 50 FFAA O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)cc3c2OCC3)cc1 170594119 PHCZMOLIQQWYHS-UHFFFAOYSA-N 353.783 2.774 0 50 FFAA COc1ccccc1N1CCC(N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 171121548 MCSKCJXFLQXCGG-LJQANCHMSA-N 357.429 2.619 0 50 FFAA C[C@@H]1CN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C[C@H]1CO 192270351 FPBFYGYJBJRNPN-WBVHZDCISA-N 355.438 2.795 0 50 FFAA COCCn1cc(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cn1 193558922 RSYRWNLDSQBHGV-UHFFFAOYSA-N 368.441 2.817 0 50 FFAA Cc1noc2ncnc(NC[C@H](O)COc3ccc(C(F)(F)F)cc3)c12 195510875 AXCFYGQUXMDUCH-NSHDSACASA-N 368.315 2.797 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)CCCc2cccs2)N1 1506410127 DLEMNJFFSPYEMS-INIZCTEOSA-N 357.479 2.773 0 50 FFAA COCCN1CC[C@H](C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1 1506397085 YLSVUTMLXZKPMP-AWEZNQCLSA-N 363.458 2.780 0 50 FFAA Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccc(C)o3)C2)nn1 216819866 PNHPMDAPWOQPAA-AEFFLSMTSA-N 354.454 2.746 0 50 FFAA COCc1ccc(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)o1 11820653 LXKMTWHMAJSCHC-HNNXBMFYSA-N 372.421 2.914 0 50 FFAA Cn1nc2c(c1C(=O)NC[C@@H]1CC(Cc3cccc(F)c3)=NO1)CCCC2 12047532 ALTOSXYLKZJJMA-INIZCTEOSA-N 370.428 2.555 0 50 FFAA O=C(Cn1cncn1)N1CCc2onc(-c3cccc4ccccc34)c2C1 12209308 MVMNPYRKYUDRMG-UHFFFAOYSA-N 359.389 2.671 0 50 FFAA O=C(CCN1CCCO1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12433807 GUZBGULQJURFSI-UHFFFAOYSA-N 360.845 2.642 0 50 FFAA CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCO)cc1 13371594 KMZRQNHQLWDRSN-NBVRZTHBSA-N 370.474 2.678 0 50 FFAA CC[C@H](C(=O)N1CCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715308 ZYDLEDNVALLLJW-MRXNPFEDSA-N 356.463 2.773 0 50 FFAA CCCN1CCC2(CC1)c1ccccc1[C@@H](NC(=O)CSC)[C@@H]2OC 14882484 YNQQLXJRVWJODO-MOPGFXCFSA-N 362.539 2.979 0 50 FFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)C2=CCCC2)C1 15073273 JEJHCLMKGYADRY-INIZCTEOSA-N 372.465 2.539 0 50 FFAA CCOc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1 6355381 JSGIIJMFKORYRR-LFIBNONCSA-N 367.405 2.904 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@@]21CCCN(CCCn2cccn2)C1 1857730652 YDOXGOXEOMQXCM-HXUWFJFHSA-N 353.470 2.626 0 50 FFAA O=C(NC[C@@H]1CCOC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857738122 RURCHMMARSMAMK-LBPRGKRZSA-N 363.845 2.850 0 50 FFAA COc1c(C(=O)O)cc(-c2ccc(CC(=O)N(C)C)cc2)c(OC)c1OC 1875250758 FGYQYCSNSFGELO-UHFFFAOYSA-N 373.405 2.708 0 50 FFAA Cc1cc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)ccc1F 131784422 VEUDWEZTWXDYCI-CQSZACIVSA-N 356.405 2.688 0 50 FFAA CC(C)n1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cn1 248031584 XSBBUPBVJVAPMK-WBVHZDCISA-N 359.499 2.544 0 50 FFAA O=C1NCCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@H]1c1ccccc1 156161826 KXKNJRIXUPKKLE-KRWDZBQOSA-N 358.825 2.784 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CCC3(CCOCC3)C2)CC1 266833581 NGAPKKRYFDZBKN-UHFFFAOYSA-N 373.497 2.876 0 50 FFAA CCCCc1nc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(Cl)[nH]1 1704337097 UUSNKHCYARCSEC-CRAIPNDOSA-N 354.926 2.684 0 50 FFAA C[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1875260958 GHFYWEJIRJCOJW-BONVTDFDSA-N 363.259 2.519 0 50 FFAA CCN(C)Cc1cccc(CNC(=O)c2cc(C[C@@H]3CCCCN3)on2)c1 1875277073 DGRYBWDMBWWFED-SFHVURJKSA-N 370.497 2.741 0 50 FFAA CC1(C)OC2(CNc3ncccn3)CC1(NC(=O)C1C3CCC1CC3)C2 1875342630 ADNNXJDQDJHSIR-UHFFFAOYSA-N 356.470 2.521 0 50 FFAA CC[C@@H](Cc1cn(CCNC(=O)[C@H](CC)CC2CCCC2)nn1)C(=O)O 1875355305 GQFNUWYRBCHOID-CVEARBPZSA-N 364.490 2.654 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1ccc(C(N)=O)cc1 1875398684 BIFYZQYVTDBVOZ-DLBZAZTESA-N 369.469 2.637 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@@H](NC(=O)[C@@](C)(F)C(C)(C)F)C2)o1 1875359861 RKLOLXLAVVTQBQ-SJKOYZFVSA-N 357.401 2.570 0 50 FFAA CC(C)c1nnc(Cn2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)nn2)o1 881284342 AVRADKDDGHDEOR-GFCCVEGCSA-N 362.434 2.557 0 50 FFAA C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2OCC2CC2)CS1(=O)=O 888101935 RAYYRINXHKOCPJ-FZMZJTMJSA-N 370.446 2.702 0 50 FFAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 252694463 LDQPXWIVKJVLCZ-AJNGGQMLSA-N 370.490 2.933 0 50 FFAA biogenic COc1cccc(-c2ccnc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)c1 8992256 WZEVVNWSDLGQBO-UHFFFAOYSA-N 359.385 2.809 0 50 FFAA O=C(c1ccncc1)N1CCC(C(=O)N2CCCc3ccccc3C2)CC1 2100539610 QBROQQDYSMUHBF-UHFFFAOYSA-N 363.461 2.909 0 50 FFAA Cc1[nH]nc2ccc(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)cc12 2325757258 PNQAUROUDFHJPO-ZDUSSCGKSA-N 355.829 2.928 0 50 FFAA Fc1cc(I)cc(CNC2C[C@@H]3CC[C@H](C2)N3)c1 2325777098 CPWTXWJLEPLWRG-PBWFPOADSA-N 360.214 2.803 0 50 FFAA CC(C)c1nnc2ccc(NC(=O)c3cc(F)cc4c3CCNC4)cn12 2325788921 SRQHNUXOWUONJY-UHFFFAOYSA-N 353.401 2.890 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CCc2nc(-c3nnc[nH]3)no2)c1C 125485150 DUXIJLDCGBTSQS-HNNXBMFYSA-N 366.425 2.768 0 50 FFAA Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 680907 ZMTMSLVBPPSYST-UHFFFAOYSA-N 355.463 2.958 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)OCC)c1C 710275 YVGKSCKDZIMCLX-JTQLQIEISA-N 355.412 2.527 0 50 FFAA O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC[C@H]1CCCO1 811880 AXSJNRQJOARBHJ-CQSZACIVSA-N 352.390 2.761 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1 1118496 AVDDQCPAFPZYOW-UHFFFAOYSA-N 363.439 2.946 0 50 FFAA COc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 1144267 GLKUBARUPAFLSX-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356138077 HEDBOYKALUVYDT-IBGZPJMESA-N 362.433 2.922 0 50 FFAA CCC(=O)N1CCCC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 113092005 BGZSPJMELICNHO-FQEVSTJZSA-N 371.525 2.901 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@H](C)O)c(C(C)C)cc1Br 54363455 GDTHJJISIFCUJT-JTQLQIEISA-N 350.278 2.540 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)O 67654350 PTVBVGJAZWGIAD-OAHLLOKOSA-N 358.785 2.784 0 50 FFAA CCn1cc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cn1 20907282 VEAPUAFPMKLBSZ-IBGZPJMESA-N 371.504 2.829 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)O 67654349 PTVBVGJAZWGIAD-HNNXBMFYSA-N 358.785 2.784 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)c2cc(COc3ccccc3)[nH]n2)n1 67850794 GZYSMISXAHWULX-OAHLLOKOSA-N 353.426 2.793 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)Cc2c(O)n[nH]c2C)c2cccnc2)c1 67946215 PBZZHNQULODVOV-LJQANCHMSA-N 350.422 2.884 0 50 FFAA O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)c1cc(=O)c(O)co1 67847363 NDKPNOQBFKTKBJ-KRWDZBQOSA-N 356.765 2.913 0 50 FFAA Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1C(=O)O 280956795 KDHYDDUEZJPECJ-UHFFFAOYSA-N 357.819 2.925 0 50 FFAA O=C(c1ccccc1Br)N1N=C(C(F)F)C[C@]1(O)C(F)F 651269 OEWWEBSFINVOGS-LBPRGKRZSA-N 369.112 2.870 0 50 FFAA COc1cccc(OC[C@H](O)CNC(=O)c2[nH]c3ccc(C)cc3c2C)c1 72448076 ILAFSSZGUKYWQT-OAHLLOKOSA-N 368.433 2.963 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(F)cc2)n1 77340876 MWCGNBWJRKZHEM-AWEZNQCLSA-N 353.419 2.999 0 50 FFAA COCc1noc(CNC(=O)[C@@H](C)SCc2ccc(Cl)cc2)n1 219891990 LEPZMNVHGIIJGW-SNVBAGLBSA-N 355.847 2.808 0 50 FFAA Cc1nn(CCCNC(=O)c2cn(-c3ccccc3)nn2)c(C)c1Cl 72143815 JOSVTNUMJAQNEX-UHFFFAOYSA-N 358.833 2.554 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2cnn(-c3ccccc3F)c2)CC1 215943509 RKWWBHPEQZWDSM-LJQANCHMSA-N 369.444 2.691 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(F)c(F)cc1Cl 5618213 RCQKRKKCJJQFNU-UHFFFAOYSA-N 360.769 2.826 0 50 FFAA COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)ccn1 71440178 XPVGYFCGFKNNLM-CEWLAPEOSA-N 363.461 2.793 0 50 FFAA CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)OCc1ccccc12 363702320 BLDRAHNMKGGUKV-GHTZIAJQSA-N 356.466 2.826 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)c3cccc(Cl)c3)ncn2)c1C 72117762 HZYLLPSCCHXEJW-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA O=C(CSCC1CC1)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 72157676 IVPLZCAOYRNMLV-MRXNPFEDSA-N 366.914 2.743 0 50 FFAA CC[C@H]1CN(C(=O)c2cc(C)nn2CC)CCC(=O)N1Cc1ccccc1 71759167 XIUQBVPGGJZVRY-SFHVURJKSA-N 368.481 2.865 0 50 FFAA CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1C(=O)O 236705342 FFGZJERAAXSKJV-OAHLLOKOSA-N 357.410 2.596 0 50 FFAA C[C@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)C[C@@H](C)O1 13139212 PVTOMWGWUQTZET-XKSSXDPKSA-N 355.070 2.518 0 50 FFAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Br)ccc1F 241231074 KRSUJGAESYVTID-FZQKWOKYSA-N 369.234 2.847 0 50 FFAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC2(CCOCC2)[C@H]1c1ccccc1 333987044 HGWAOUBKXLJPGE-MRXNPFEDSA-N 364.405 2.657 0 50 FFAA C[C@H](C(=O)N[C@@H](CO)CC(C)(C)C)n1c(S)nnc1-c1cccs1 129010036 LZDICDYTXRCLHL-GHMZBOCLSA-N 368.528 2.770 0 50 FFAA CS(=O)(=O)[C@@H]1CCC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 242338959 ZDUJXNMRJBMSJF-UONOGXRCSA-N 365.524 2.693 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3C(=O)O)c12 237878292 SXKMPBYRIQXYAH-INIZCTEOSA-N 364.405 2.633 0 50 FFAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H]2c2ccccn2)c1=O 77516822 GRCMWYPMWMBARU-QGZVFWFLSA-N 369.421 2.588 0 50 FFAA O=C1OCCN1c1cccc2c1CCN(C[C@H](O)Cc1ccccc1)C2 173701908 LAKBRUHTPIDBEQ-GOSISDBHSA-N 352.434 2.605 0 50 FFAA CCN(CC)CCN1CCC(OC)(c2nc(Cc3ccccc3)no2)CC1 284532967 RXGGPLGUDKZEAX-UHFFFAOYSA-N 372.513 2.940 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 20045186 UWNZPTSTSSPGDC-UHFFFAOYSA-N 369.852 2.957 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(Cn2cccn2)c1 223269655 SWTBSTBJPOELBW-UXHICEINSA-N 369.465 2.802 0 50 FFAA CN(C)c1ccc(-c2noc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 225527465 SLWVUPIRGNGUPC-UHFFFAOYSA-N 362.389 2.641 0 50 FFAA O=C(c1ccc(N2CCCC2)cc1)N1CCCC[C@H]1CN1CCOCC1 82096765 QIBHBKBOLWTYIR-FQEVSTJZSA-N 357.498 2.614 0 50 FFAA N[C@@H]1CCCCN(Cc2ccccc2CS(=O)(=O)c2ccccc2)C1 82121292 MWMOZAFYPWUBJV-LJQANCHMSA-N 358.507 2.974 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)c1ccccc1N1CCOCC1 194640493 WKIAYHHNHZQTSR-UHFFFAOYSA-N 362.433 2.639 0 50 FFAA CC(C)[C@H](CC(=O)O)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426535419 HPCKBIMOTDFYIN-YOCVDRLZSA-N 359.470 2.526 0 50 FFAA C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[C@@H]1C 178606259 QGAMFACNNXCJMA-RKVPGOIHSA-N 359.470 2.535 0 50 FFAA Cn1cnc2cc(NC(=O)NCCc3noc(C4CCCC4)n3)ccc21 426667624 SRKPBGZXRCHKAU-UHFFFAOYSA-N 354.414 2.978 0 50 FFAA Cc1ccc([C@H](CNc2nccc(-c3cccnc3)n2)N2CCOCC2)o1 97785383 UHKGJVAEWKOMIX-SFHVURJKSA-N 365.437 2.925 0 50 FFAA CS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)cc1 97499631 VCXDBZFLSFSBJG-DZGCQCFKSA-N 356.447 2.777 0 50 FFAA COc1ccc2cc(C(=O)N3CCC4(CC3)OCCC[C@@H]4OC)n(C)c2c1 97568957 DESUVOPEZMEXKQ-IBGZPJMESA-N 372.465 2.987 0 50 FFAA Cc1ncsc1C(=O)N1CCC(c2nccn2CCCN(C)C)CC1 95372078 ZOYXAIZHZJHAQD-UHFFFAOYSA-N 361.515 2.620 0 50 FFAA O=C(Cn1ccccc1=O)NC[C@H](c1ccccc1)N1CCCCCC1 97528081 HTYYHHPBHMTPMO-LJQANCHMSA-N 353.466 2.582 0 50 FFAA CC[C@H](C)NC(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91781839 FWWSVYSZEXXGAG-INIZCTEOSA-N 358.486 2.794 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(-c4cccc(F)c4)nc3)C2)C1=O 91818205 DXBOEUMAPQRRNP-NRFANRHFSA-N 367.424 2.972 0 50 FFAA CCCCCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 95358217 LKUIVBPLKQJOQB-INIZCTEOSA-N 358.490 2.655 0 50 FFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cnc(C2CC2)[nH]c1=O 97745077 YLQJFHRCAUFQDW-GFCCVEGCSA-N 363.421 2.871 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N[C@H](C)c2ccccc2-n2cccn2)n1 95375431 KPOLPDKPHVPIGO-GFCCVEGCSA-N 357.439 2.547 0 50 FFAA COCCCN1CCC[C@]2(CCN(c3ncnc4sc(C)cc34)C2)C1=O 91745902 JCZVAPIJBSTNTB-LJQANCHMSA-N 374.510 2.855 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCCN(Cc4ccccc4F)CC3)ncn2)C1 244748684 OMKBAXPWDYHCFD-CALCHBBNSA-N 356.445 2.566 0 50 FFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@H](O)c1ccc(F)cc1 244899599 ZMPHCCSLGZWPSO-HXUWFJFHSA-N 356.441 2.855 0 50 FFAA C[C@@H]1C[C@H](S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 296404945 UXVDZGOTBBCSPY-VXGBXAGGSA-N 370.471 2.936 0 50 FFAA CC(C)n1cc([C@@H]2CN(C(=O)c3cccc4c3CCC4)C[C@H]2CO)cn1 299746329 WRRDVRUQWDZRNK-PXNSSMCTSA-N 353.466 2.801 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCC2 252539664 OHDGTUHSCCJANE-FRIZHTMISA-N 362.433 2.689 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CCN(C3CC3)C2)CC1 534649828 VKISSYRUTHWROO-GOSISDBHSA-N 356.514 2.701 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NC[C@H]1COCCO1 299775973 MUZSDHQXCTUDDQ-INIZCTEOSA-N 361.442 2.661 0 50 FFAA CC(C)Cc1cc(C(=O)NCCc2csc(-c3ncccn3)n2)on1 299778073 PCLULNHANDBVQD-UHFFFAOYSA-N 357.439 2.759 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(N3CCCCC3)cc1)CC2 299794914 KFGYRUQVTYGIJC-SVFBPWRDSA-N 358.482 2.821 0 50 FFAA Cc1cccnc1[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)C1CC1 299798532 SHAYKNKUWRZWGR-IBGZPJMESA-N 358.463 2.821 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)C(=O)N2CCCCC2)c2cccnc2)c1 299774285 FWYMXBGMERGELZ-IBGZPJMESA-N 351.450 2.917 0 50 FFAA C[C@H](NC(=O)N1CCC(N2CCOCC2)CC1)c1ccc(F)cc1F 826573300 ZFCLRGKZADRVIE-ZDUSSCGKSA-N 353.413 2.532 0 50 FFAA CCc1nnc(SCC(=O)Nc2nnc(C(C)C)s2)n1C1CC1 823564435 ZXRXBPGCOHIQMU-UHFFFAOYSA-N 352.489 2.881 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)NCCCSCc1ccccc1Cl 584897816 ZPBLLQOPFZCMDF-AWEZNQCLSA-N 355.891 2.623 0 50 FFAA COc1ccccc1CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccco2)C1 584902560 DYCYTTYRWZTQQQ-INIZCTEOSA-N 371.437 2.734 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cccc(Cl)c2Cl)cn1 275546364 NBTXMZJXQSBLIT-CJNGLKHVSA-N 353.253 2.836 0 50 FFAA Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275757917 WPUQLNFINOGBRW-OAHLLOKOSA-N 356.426 2.580 0 50 FFAA Cc1ccc(N2CCC[C@H](NC(=O)c3nc(C)n4ccccc34)C2=O)cc1 742008311 FBFZOMXDIFFPRX-KRWDZBQOSA-N 362.433 2.877 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 192411113 OPZKSOJJTZJFHG-UFBFGSQYSA-N 357.193 2.714 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC(OC3CCCC3)CC2)c1 195324497 JWMLDMSGULDHGX-OAHLLOKOSA-N 373.497 2.797 0 50 FFAA CCOC[C@@H]1CCCN1S(=O)(=O)c1cc(-c2ccno2)sc1C 1506419970 OJQTUECSAFZEON-LBPRGKRZSA-N 356.469 2.901 0 50 FFAA O=C(CCN[C@H]1CCC(=O)N(CC2CC2)CC1)Nc1cc(F)ccc1F 1506409421 XDLZWUZLLZKCKK-HNNXBMFYSA-N 365.424 2.674 0 50 FFAA CCOCC(=O)N1CCC(C(=O)Nc2onc(C)c2-c2ccccc2)CC1 1529173481 WRMOAMCJSIBEBZ-UHFFFAOYSA-N 371.437 2.864 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(C)c(C)c4)c3)C[C@@H]2O)n[nH]1 1529158496 DDVPQFQBJOCPPD-NQIIRXRSSA-N 365.481 2.556 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N(CCO)Cc2ncc[nH]2)c1 1704314623 VBNLPXCSTCSLLF-UHFFFAOYSA-N 351.406 2.720 0 50 FFAA COc1cc(/C=C2/OC(=O)c3c2cc(C)nc3O)c(OC)c2c1OCO2 1848444205 WBBBRHVUFPESPO-VZUCSPMQSA-N 357.318 2.510 0 50 FFAA CCOc1ccccc1N1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1772806566 BIYDKGYUQVBOGK-GOSISDBHSA-N 359.514 2.854 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCN1CCOC1=O 11767454 JJJPXGZKQXQEJJ-KRWDZBQOSA-N 356.397 2.916 0 50 FFAA CCN1CCN(c2nc3cc(OC)ccc3cc2CN[C@H](C)COC)CC1 11976714 GTZRBOTZICNGGX-MRXNPFEDSA-N 372.513 2.510 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O 14961932 MXLDREMOKQTGDZ-SFHVURJKSA-N 354.853 2.940 0 50 FFAA COc1ccc(CCN2C[C@@H](NC3Cc4ccccc4C3)CC2=O)cc1 15065021 AEDUCDNMCQDJOA-FQEVSTJZSA-N 350.462 2.596 0 50 FFAA Cc1ccc(/C=C/C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)o1 169764137 RVQACPXZIOAPLK-MDZDMXLPSA-N 366.421 2.654 0 50 FFAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(Cl)ccc1C)C2 1857531687 BEOBXKDTDUTQCM-ZLKJLUDKSA-N 359.813 2.624 0 50 FFAA CCCn1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c(C)n1 1857724447 DXDXQYRKJWJQSI-PMACEKPBSA-N 370.497 2.745 0 50 FFAA CC1=C(C(N)=O)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 956680 GZQPNEOISBNFTB-KRWDZBQOSA-N 353.447 2.544 0 50 FFAA COc1cccnc1N(C)C(=O)c1nn(-c2cccc(Cl)c2)nc1C 121729621 KIVPSJQRIXFQTP-UHFFFAOYSA-N 357.801 2.909 0 50 FFAA COCCCOC1CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 132858731 HWUQBRQYWSFAQG-UHFFFAOYSA-N 365.854 2.685 0 50 FFAA CC(C)c1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n[nH]1 150827012 WRNBYEVCUOZTNW-UHFFFAOYSA-N 360.845 2.671 0 50 FFAA COc1ccc([C@H](NC(=O)C2CC=CC2)C(=O)O)cc1Br 263049093 PUZNSKOTOKNKMY-ZDUSSCGKSA-N 354.200 2.666 0 50 FFAA O=C1[C@@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CCN1c1ccc(F)cc1 264995262 CJMQWDIMZBSWMF-DLBZAZTESA-N 356.401 2.656 0 50 FFAA COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 266022551 XFEFJPJZICRDFO-HOCLYGCPSA-N 373.902 2.705 0 50 FFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CC[C@H]2[C@H](C1)C2(F)F 1851103273 DPTVPMNIDQCZPQ-KBPBESRZSA-N 359.376 2.808 0 50 FFAA CC1(C)C[C@@H](NC(=O)c2cccc(-n3cncn3)n2)c2cc(F)ccc2O1 855021418 RZSNIRCDDNJIJI-OAHLLOKOSA-N 367.384 2.834 0 50 FFAA COc1ccccc1-c1cccc(NC(=O)N2CC[C@H](NCCO)C2)c1 1875283100 GEUAKUSEOHYOFV-KRWDZBQOSA-N 355.438 2.550 0 50 FFAA O=C(NCCCc1nnc(C2CC2)n1-c1ccccc1)NC1CCOCC1 1875380299 LCGHSIDLGPAIEX-UHFFFAOYSA-N 369.469 2.556 0 50 FFAA CC1(C)SCCN2C(=O)N([C@@H]3CC[C@@H]4SCCS[C@@H]43)C(=O)[C@H]21 1875356532 PPASPOOLDMULLY-KXNHARMFSA-N 358.554 2.524 0 50 FFAA COc1ccc2cc3c(N)nn(C(=O)c4ccccc4N(C)C)c3nc2c1 1875388079 LXMUZLPSKVJPAW-UHFFFAOYSA-N 361.405 2.930 0 50 FFAA C[C@]1(CC(=O)N[C@H]2[C@@H](CNc3ncccn3)CCC23CCC3)CCCO1 1875406260 ALVSJZGMWCYDFN-HHXXYDBFSA-N 358.486 2.913 0 50 FFAA CO[C@]1(C(F)(F)F)C[C@H](C(=O)N2CCC[C@H]2c2cn(C3CC3)nn2)C1 1875408376 USXADCQHKBFWJK-VZJVUDMVSA-N 358.364 2.634 0 50 FFAA C[C@H]1CCCc2cc(-c3noc([C@@H]4CC(=O)N(C5CC5)C4)n3)c(O)nc21 896767209 DTDGBBBLTDDDRG-CMPLNLGQSA-N 354.410 2.755 0 50 FFAA C[C@@H](Nc1ncnc(N)c1Br)[C@H]1CCCN(C2CCC2)C1 2325840059 NMMHCHKWERCUCP-MNOVXSKESA-N 354.296 2.886 0 50 FFAA O=C(Nc1ccc(CN2CCC(CO)CC2)cc1)c1ccc2cccnn12 2325855469 BVXMIMFRKOSJHM-UHFFFAOYSA-N 364.449 2.791 0 50 FFAA NCCc1ccc(O)c(NC(=O)c2cccn3cc(C(F)(F)F)nc23)c1 2325856694 ZQAVTXDRJQYBLJ-UHFFFAOYSA-N 364.327 2.812 0 50 FFAA Cc1nc(-c2ccccc2NC(=O)c2cc(C[C@H]3CCCCN3)on2)n[nH]1 2325857417 ATFOWGMSALQBFE-CYBMUJFWSA-N 366.425 2.705 0 50 FFAA C=CC(=O)N(Cc1ccnn1CC1CCC1)c1ccc2c(c1)C(=O)NC2 2325890426 DVYMEEANTZYLML-UHFFFAOYSA-N 350.422 2.646 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 687743 PHSYJLREEUSBHK-UHFFFAOYSA-N 374.890 2.881 0 50 FFAA CSc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 1063059 FXUVKFCCGRPBHF-NSHDSACASA-N 368.455 2.853 0 50 FFAA CNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 1140800 YBWBYZYGHHPGEW-UHFFFAOYSA-N 352.463 2.891 0 50 FFAA Cc1c(NC(=S)Nc2cccc(O)c2)c(=O)n(-c2ccccc2)n1C 1177942 FYJCVKAHTCPLHT-UHFFFAOYSA-N 354.435 2.999 0 50 FFAA Cc1cccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)c1O 1207664 LOJYBNBXKNGQCF-MRXNPFEDSA-N 365.311 2.597 0 50 FFAA CCOC(=O)Cc1csc(NS(=O)(=O)c2c(C)cc(C)cc2C)n1 3991833 PWVFWMRVAJPZQZ-UHFFFAOYSA-N 368.480 2.975 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)c1 57460462 NYSIWWGHFGXZHL-INIZCTEOSA-N 366.465 2.794 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)NCCc1ccccc1 1073403784 FWOFUBXVRFJGPJ-MOPGFXCFSA-N 367.497 2.567 0 50 FFAA O=C(CN1CCN(c2ccccc2F)CC1)NCc1ccc(Cl)cc1 55562785 LHBYNTFMYPBFQD-UHFFFAOYSA-N 361.848 2.918 0 50 FFAA Cc1cccc(-c2ncc(CN(CCN(C)C)C[C@@H]3CCCO3)cn2)c1 55414424 GWRSTZBTGVVIKE-FQEVSTJZSA-N 354.498 2.995 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 54254067 GHFKEBMNNXDQPY-UHFFFAOYSA-N 361.829 2.638 0 50 FFAA COCC(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 20149223 NPMFMCRTJJLOBA-CYBMUJFWSA-N 363.410 2.823 0 50 FFAA Cc1ccc(OCCCCNCCN2CCOCC2)c(Br)c1 20482167 ROVJVIMJGZEPSW-UHFFFAOYSA-N 371.319 2.838 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 34961879 JSDWWNLTJCCSAV-RDDZQOHQSA-N 372.502 2.993 0 50 FFAA in-vitro CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)c(Cl)cc1Cl 1071944 HHUKRLMZKAQVDP-UHFFFAOYSA-N 374.249 2.891 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2nn(C)c3c2CCCC3)[C@@H](C)C1 77354437 FZRJFGNPSVFJAK-INIZCTEOSA-N 352.482 2.958 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1n[nH]c2ccccc12 219211559 FAIIVWYLKASPOI-IAGOWNOFSA-N 355.369 2.668 0 50 FFAA CN(C[C@@H]1CCCO1)C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 122685423 PZJRNSQWJQSSKV-ZDUSSCGKSA-N 361.392 2.890 0 50 FFAA NC[C@@H]1CCN(c2cnn(Cc3ccccc3-c3ccccc3)c(=O)c2)C1 77301331 JIBVWHHWKBOMAC-KRWDZBQOSA-N 360.461 2.744 0 50 FFAA Cc1ccc([C@@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2N(C)C)cc1 77539277 HJDCHPXOSKUOMI-JKSUJKDBSA-N 350.509 2.775 0 50 FFAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCC1(c2ccccc2)CCCCC1 12588382 HFWYQIFRICLPPL-IBGZPJMESA-N 371.525 2.604 0 50 FFAA Cc1nccn1Cc1ccccc1NS(=O)(=O)NCc1ccccc1 71661571 DQLIETPKDOQLLT-UHFFFAOYSA-N 356.451 2.686 0 50 FFAA O=C(c1ocnc1C1CC1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 368132050 DAFLGAOAUBUYKI-ZDUSSCGKSA-N 351.410 2.690 0 50 FFAA CCn1ccnc1CN(C(=O)c1cc(C)oc1C)[C@H]1CC12CCNCC2 261897958 WFVMJSZUYHQTJY-KRWDZBQOSA-N 356.470 2.897 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3Cl)nn2)C1 237973607 HVNLDDNQGQBZAO-LBPRGKRZSA-N 362.817 2.638 0 50 FFAA O=C(O)c1ccc(/C=C/C(=O)N2CCC(CN3CCCCC3=O)CC2)cc1 237947404 MNVIFCLLEANIAO-RMKNXTFCSA-N 370.449 2.649 0 50 FFAA CN1C(=O)[C@](CC(=O)NCC(F)F)(Cc2ccccc2)c2ccccc21 71735905 CQJUGYSHCGFRJG-FQEVSTJZSA-N 358.388 2.915 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@@H](CCc3ccccc3C)C2)c(=O)[nH]1 71755422 VDSCISVDWOSKMY-KRWDZBQOSA-N 353.466 2.801 0 50 FFAA COc1cc(CN2CCCC[C@H]2CN)ccc1OCCN1CCCCC1 216355009 QEWIGXGUYMBLPZ-IBGZPJMESA-N 361.530 2.873 0 50 FFAA Cn1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)ccc1=O 72420496 YLPSVEYXMKZKRG-CNNODRBYSA-N 366.461 2.678 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2nn(C)c3c2CCCC3)[C@H](C)C1 77354435 FZRJFGNPSVFJAK-MRXNPFEDSA-N 352.482 2.958 0 50 FFAA O=C(c1cccc2nccnc12)N1CCc2nc[nH]c2[C@H]1c1ccccn1 20109999 BUUHSNBKTXLVFZ-LJQANCHMSA-N 356.389 2.536 0 50 FFAA COC[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(C)o1 288084612 KEDXEOLQHWFVHS-JTQLQIEISA-N 364.345 2.668 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 223234828 KNGZRVXAFWBXKQ-JWIMFUQQSA-N 370.428 2.520 0 50 FFAA CCc1oc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)cc1CN(CC)CC 222620714 WIFDEVFYSLCSBC-CQSZACIVSA-N 374.485 2.590 0 50 FFAA O=C1C[C@@H](CNC(=O)N(Cc2cccnc2)C2CCCCC2)CN1C1CC1 426627847 UJQRRBBKVRWGDS-KRWDZBQOSA-N 370.497 2.937 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCC(Cc3nc(C)no3)CC2)N(C)C)c1 95375479 QVADHMOYOQSHKX-IBGZPJMESA-N 356.470 2.770 0 50 FFAA COCCn1cnnc1CNC(=O)c1sc2cccc(F)c2c1Cl 91536479 CXJJMROIEWSQEZ-UHFFFAOYSA-N 368.821 2.862 0 50 FFAA c1ccc2sc(N3CCC(NCCSc4cnn[nH]4)CC3)nc2c1 95357222 GGKRDHVIZIJZFO-UHFFFAOYSA-N 360.512 2.765 0 50 FFAA Cc1cnc(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)cn1 91915317 OPFKJBMPTFAJJO-UHFFFAOYSA-N 368.466 2.506 0 50 FFAA OCc1csc(N2CCC(c3nccn3Cc3cscn3)CC2)n1 91997580 TZKQVHDYEWOGNH-UHFFFAOYSA-N 361.496 2.721 0 50 FFAA O=C(NCCN1CCC(O)CC1)Nc1ccccc1Cc1ccccc1 97679875 GSMRYOAHTJBWKV-UHFFFAOYSA-N 353.466 2.856 0 50 FFAA CN1CCN(CCc2cccc(F)c2)C[C@]12CCC(=O)N(CC1CC1)CC2 230206473 MVIFNEPMZBOCBT-JOCHJYFZSA-N 373.516 2.777 0 50 FFAA Cc1ccc(Cl)c(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)c1F 95391115 BXZXNVHBVWMARS-CYBMUJFWSA-N 368.836 2.685 0 50 FFAA O=C(O)CCCOc1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1 299747319 CPHYVIDUVVKEJC-OAHLLOKOSA-N 374.393 2.700 0 50 FFAA CCN1C[C@H](NC(=O)N(Cc2ccccn2)Cc2sccc2C)CC1=O 534674469 DTGHCKUYGWFRJR-MRXNPFEDSA-N 372.494 2.784 0 50 FFAA CC[C@@H](CNC(=O)N(C)Cc1[nH]c2ccccc2c1C)N1CCN(C)CC1 534656042 KRPFZBCWNQDOQU-KRWDZBQOSA-N 371.529 2.644 0 50 FFAA COC(=O)c1cn([C@H](c2nc3ccccc3[nH]2)C(C)C)cc2c(=O)[nH]nc1-2 263588273 RADOJUSAYUVIOG-INIZCTEOSA-N 365.393 2.585 0 50 FFAA Cc1nc(N2CCC(C(=O)N3CCSCC3)CC2)nc2ccccc12 299756126 CISVSXOWGVRYSJ-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cc(F)ccc3OC)cc2C1 299777069 IITUKXMWAFCNAT-UHFFFAOYSA-N 360.433 2.577 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n1 299772527 AQITZQSUZATRAK-SNVBAGLBSA-N 357.332 2.697 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CCc2nc3ccc(F)cc3[nH]2)cc1 824312996 IISQAQIBOKAKGC-UHFFFAOYSA-N 370.384 2.858 0 50 FFAA CSc1ncc(CNC(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)n1C 584894541 FPORMMXRFDKVAI-UHFFFAOYSA-N 358.471 2.668 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)NCCCSCc1ccccc1Cl 584889349 YVIOIHUKGYGNMN-HNNXBMFYSA-N 369.918 2.883 0 50 FFAA CC(C)n1ncnc1-c1ccc(C(=O)NCc2ccc(CO)cc2)cc1 584886338 PCOLQLJVZYHLNH-UHFFFAOYSA-N 350.422 2.948 0 50 FFAA CCc1nc2cc(NC(=O)CC[C@@H](C)N3CCN(C)CC3)ccc2n1CC 952966206 VUTOJQCIBNLNNF-MRXNPFEDSA-N 371.529 2.973 0 50 FFAA O=C(c1cc(F)cc2nccnc12)N1CCC(O)(c2ccccc2)CC1 185913798 LFHINHAKOXCVRH-UHFFFAOYSA-N 351.381 2.893 0 50 FFAA CCCN(C1CC1)S(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 186901018 DDZGIJGTIFJTIY-UHFFFAOYSA-N 357.447 2.947 0 50 FFAA Cn1cc(-c2cc(CN3CCO[C@@H](c4ccc(F)cc4F)C3)on2)cn1 187292584 RAGODAWOBGEYDZ-GOSISDBHSA-N 360.364 2.927 0 50 FFAA CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2cncs2)c1C 188380957 WNGCKSNDMQCYNL-UHFFFAOYSA-N 353.469 2.784 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616079268 FUMAKQBJMVMEPZ-HKUYNNGSSA-N 372.415 2.792 0 50 FFAA COCCc1noc([C@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)n1 1506424567 AUMXWPWFCQUZGF-INIZCTEOSA-N 374.485 2.696 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2cccc(-c3ccc(OC)cc3)c2)cn1 1529139844 VUSBLBULOZWQRG-UHFFFAOYSA-N 364.405 2.557 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CC12CCOCC2 1775977257 ILYXZSBYAIVXJE-SFHVURJKSA-N 372.465 2.630 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)c2cnn3cccc(C)c23)n1 1772806917 HLJUHNVUJCEZLQ-UHFFFAOYSA-N 366.469 2.926 0 50 FFAA N[C@H](c1ccccc1)c1nnc(N2CCC(CCn3cccn3)CC2)o1 1772709754 PVTJTGXKXVZHRM-QGZVFWFLSA-N 352.442 2.621 0 50 FFAA CN(C)c1nc2nonc2nc1NCc1scnc1-c1ccccc1 12459165 SCKDIIJHALIMQY-UHFFFAOYSA-N 353.411 2.814 0 50 FFAA Cc1ccc(C)c(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)c1 13679970 KGOGMPDRTLLELW-MRXNPFEDSA-N 352.500 2.861 0 50 FFAA Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169780554 ZGXBCSXNNKKXSL-UHFFFAOYSA-N 350.422 2.662 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(OCc3ccccn3)cc1)C2 1857669811 XNBQVTWFTHMTOX-LAUBAEHRSA-N 368.433 2.584 0 50 FFAA CC(C)(CO)NC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857670488 PLSUJDJAPCNWRL-UHFFFAOYSA-N 351.834 2.585 0 50 FFAA NCCCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857673896 NFGOTPUYFMMLLK-LBPRGKRZSA-N 350.850 2.553 0 50 FFAA NC(=O)[C@H]1CCCN(CCCn2ccnc2-c2cccc3cnccc23)C1 1857682213 SEWAGBVSDPFVKC-KRWDZBQOSA-N 363.465 2.686 0 50 FFAA COC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 363436086 JQTWLEDJRHCLEX-QMTHXVAHSA-N 359.253 2.749 0 50 FFAA COc1ccccc1Oc1c(C)oc2cc(OCC(N)=O)ccc2c1=O 1133410 ZLSCXAGJBNATSN-UHFFFAOYSA-N 355.346 2.766 0 50 FFAA biogenic CCOc1cc2c(cc1CN1CCC(N(C)CCCO)CC1)O[C@H](C)C2 115548549 SSRNFIKJTMEYMP-MRXNPFEDSA-N 362.514 2.687 0 50 FFAA C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(N2CCCCC2=O)CC1 120503026 YYJROXMXOCRQET-CYBMUJFWSA-N 365.424 2.769 0 50 FFAA COc1cc(CCNC(=O)c2c(F)ccc(OC)c2OC)ccc1F 252489704 JXOFLQOZJRVCNA-UHFFFAOYSA-N 351.349 2.963 0 50 FFAA CN(C(=O)Oc1nsnc1N1CCOCC1)C1CCCCCCC1 473127446 WKSHMJCYWFOADB-UHFFFAOYSA-N 354.476 2.918 0 50 FFAA in-vitro CC(C)(C)CCCS(=O)(=O)N1CCCN(c2ncccc2F)CC1 1875391401 YUMJRWOKTVXXJR-UHFFFAOYSA-N 357.495 2.889 0 50 FFAA O=C(c1occc1COc1ccccc1)N1CCC[C@H](c2nc[nH]n2)C1 364332030 WYMBEUGPAOGRFD-AWEZNQCLSA-N 352.394 2.997 0 50 FFAA CN=[S@@](C)(=O)c1cccc(NCc2cc(=O)n3c(C)csc3n2)c1 902149369 PVQLXSLNSKUJJE-DEOSSOPVSA-N 362.480 2.763 0 50 FFAA COc1cc(CNC(=O)[C@@H]2[C@H]3CCC(=O)[C@@H]32)ccc1OCc1cccnc1 906094189 DLTJHYOLNBDIDV-CWFSZBLJSA-N 366.417 2.511 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)CC(C)(C)OC)(c2ccccc2)CC1 847568550 CCSJPVVDTSRZKA-UHFFFAOYSA-N 358.482 2.616 0 50 FFAA Cc1cccc(CO[C@H](C)C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 869642846 YBDVFNWZTGLXJN-MRXNPFEDSA-N 366.417 2.960 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@]2(CCCN2)C1)c1cnn(C2CCCC2)c1 1875393037 DMUGAJHTIPYGRX-MZNJEOGPSA-N 350.488 2.522 0 50 FFAA C=CC(=O)N1CCC(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)CC1 1875367634 YRGTUIYMDKBFPD-QHCPKHFHSA-N 354.859 2.748 0 50 FFAA COc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]nc2C2CCOCC2)C1 886075147 COHCHXLUQIJTAA-OAHLLOKOSA-N 355.438 2.942 0 50 FFAA CC(C)(C)[Si](C)(C)n1ccc2c(S(=O)(=O)NCCO)cccc21 888093237 HYRNNTTZRGLSMO-UHFFFAOYSA-N 354.548 2.765 0 50 FFAA Cc1nccn1CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 4625423 DHENJGFVYBFSNJ-UHFFFAOYSA-N 355.225 2.643 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CCCN[C@H](c2ccccc2)C1 2325783220 DXBWDQNIMDCVEB-FQEVSTJZSA-N 361.449 2.753 0 50 FFAA O=C(N=c1cc(-c2cccc(F)c2)o[nH]1)NC[C@H]1NCCc2ccccc21 2325859202 QWNWGDITIVAYDZ-QGZVFWFLSA-N 366.396 2.911 0 50 FFAA Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@H]3c1cccc(O)c1 2444461 WRWQBIMMKQSHDH-SFHVURJKSA-N 365.385 2.653 0 50 FFAA O=C(NCCCNC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1 4487364 FJSWAQKYAOMUEK-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1 7423082 RNCGKDLIJUFCGJ-UHFFFAOYSA-N 357.439 2.761 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)CC1 20994188 KSWKYSMIJXCYQG-NRFANRHFSA-N 363.521 2.567 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccnc1 12305357 COMCUGFWYABRQR-LJQANCHMSA-N 372.488 2.825 0 50 FFAA COc1ccc(CN2CCN(Cc3cccnc3)C[C@H]2CCO)c(C)c1C 107100685 BNKSKYJEIVIHOO-OAQYLSRUSA-N 369.509 2.776 0 50 FFAA CS(=O)(=O)c1ccsc1NC(=O)C1=NO[C@H](c2ccccc2)C1 118635340 AXBBOMKUQWPTNL-LBPRGKRZSA-N 350.421 2.608 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C[C@H]2CCC3(CCCCC3)O2)n1 329837590 MYMKEUSHPPVESF-CVEARBPZSA-N 374.485 2.981 0 50 FFAA Cc1cc(C)c(Cn2cncn2)cc1CN1CCN(c2ccncc2)CC1 65372910 RHNNXEJSLKVGIA-UHFFFAOYSA-N 362.481 2.660 0 50 FFAA CN1CCCC2(CC1)CCN(C(=O)c1scc3c1OCCO3)CC2 67642423 WLDMXGWZPPOVFW-UHFFFAOYSA-N 350.484 2.857 0 50 FFAA Cc1ccc(CS(=O)(=O)NC(=O)Cc2c[nH]c3ccccc23)c(C)c1 252494043 NJLDETBSDOOLIB-UHFFFAOYSA-N 356.447 2.973 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 72477072 VBSSVNKNDXCYQR-INIZCTEOSA-N 371.460 2.570 0 50 FFAA CN(C)C(=O)c1ccc(N[C@@H]2CCCN(CCc3ccccc3)C2)nc1 72428258 VFQZSLFOSZYCOD-LJQANCHMSA-N 352.482 2.902 0 50 FFAA CN1C[C@@]2(CCN(C(=O)c3cccnc3N(C)C3CCCCC3)C2)OC1=O 72153264 WXQJSPZTBCVIKU-HXUWFJFHSA-N 372.469 2.517 0 50 FFAA CO[C@@H](C)c1nc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)cs1 328640887 QHNHNMBNOXGSML-DYEKYZERSA-N 366.487 2.935 0 50 FFAA Cn1nnc2cc(C(=O)N3CCC[C@@H](CCc4ccc(F)cc4)C3)cnc21 71776385 VDYITZGVIOKWCW-HNNXBMFYSA-N 367.428 2.987 0 50 FFAA C[C@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 172273592 JHQGRHNNCFAKRS-YPMHNXCESA-N 367.496 2.576 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccccc2N2CCOCC2)C1 219897108 WQLUKIRWPIILCX-QFIPXVFZSA-N 366.461 2.565 0 50 FFAA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 156209846 ABNLXPWDHKLYOH-PMACEKPBSA-N 366.461 2.840 0 50 FFAA Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)n1 172857220 HCIXALAKCPKJRP-HZPDHXFCSA-N 369.421 2.659 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccc(O)nc2)C1 490929615 PCXPBUOCPGHYLF-LLVKDONJSA-N 354.332 2.559 0 50 FFAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77555658 OKDORGNOYXEUIW-OAHLLOKOSA-N 354.458 2.518 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2c(c1)CCC2 219303958 LDIDUXWITNZDRU-QZTJIDSGSA-N 358.463 2.736 0 50 FFAA CSc1nc(C)cc(N2CCN(c3ncnc4ccccc34)CC2)n1 219563761 GPYHWQAXLZUVJD-UHFFFAOYSA-N 352.467 2.777 0 50 FFAA CNC(=O)CC1CCN(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)CC1 174306347 NFWFEJDUCHVVGK-GOSISDBHSA-N 363.477 2.951 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](OC)CC1 378632000 JBTATLSZAZJXRF-FUHWJXTLSA-N 374.481 2.717 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)CC1 71746740 DGROTOZTEHYZOF-UHFFFAOYSA-N 353.344 2.991 0 50 FFAA O=C(c1cnn2ccccc12)N1CCc2[nH]nc(COc3ccccc3)c2C1 48488874 JCVQONBVDCPXIT-UHFFFAOYSA-N 373.416 2.835 0 50 FFAA CC(=O)Nc1ccc(-c2cn([C@@H]3CCCN(c4ncccn4)C3)nn2)cc1 82116315 KHWLJNYZYZYDRB-QGZVFWFLSA-N 363.425 2.535 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1nccs1 220049119 PJWIRCLQHNOTFE-MRXNPFEDSA-N 368.462 2.997 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 220110389 SFIGCOYOJYBSOT-HZPDHXFCSA-N 367.492 2.709 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)N[C@H](c1ccccn1)C(F)(F)F 426438601 JSWYLIBGWSTTPT-CQSZACIVSA-N 355.364 2.909 0 50 FFAA COc1ccc(C2(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)CC2)cc1 223892350 GIBFCXXDMZBPIQ-IDHHARJASA-N 352.434 2.750 0 50 FFAA CO[C@H](C)c1noc(CN2CCCN([C@H]3C[C@H]3c3ccccc3)CC2)n1 291288962 ZMHIRYGEVCHSDZ-NJAFHUGGSA-N 356.470 2.841 0 50 FFAA CS(=O)(=O)c1ccccc1N1CCC[C@@](CO)(Cc2ccccc2)C1 292391906 QWZFCCYPKLDQKT-HXUWFJFHSA-N 359.491 2.912 0 50 FFAA CC(=O)CCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95380475 UKDLGGBWPLXHEZ-CWFSZBLJSA-N 362.420 2.723 0 50 FFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 91270660 UFVAIZVWWCNDTF-NSHDSACASA-N 362.861 2.822 0 50 FFAA COc1ccc2cc(C(=O)NCCCn3nnc4ccccc43)n(C)c2c1 97137913 QXVWCCKHBSKLCT-UHFFFAOYSA-N 363.421 2.752 0 50 FFAA CN(C)c1cc2c(cc1NC(=O)NCC1=CCCCC1)n(C)c(=O)n2C 96162868 OOVKNIOWVDOBNS-UHFFFAOYSA-N 357.458 2.565 0 50 FFAA CC(C)n1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)cn1 97743634 SGMUBNYOWDENGB-KRWDZBQOSA-N 351.414 2.762 0 50 FFAA C[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)N1CCc2ccccc2C1 95386410 PWHWALCGGIMPSR-SFHVURJKSA-N 364.489 2.943 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(C)c2)CN1CCC=C(C)C 96153749 NUUDNGDSUFMBIB-PMACEKPBSA-N 371.525 2.589 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCCc3ccc(C)o3)CC2)c1 95387388 CKCOZEYQKNTUOX-UHFFFAOYSA-N 355.482 2.767 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2COc3c(cccc3OC)C2)c(OC)c1 92061883 HIOJEYNGJWKIQN-MRXNPFEDSA-N 371.433 2.622 0 50 FFAA CSc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCC3)CC2)cc1 95378731 QNXXZNSDKKWEJC-KRWDZBQOSA-N 362.495 2.869 0 50 FFAA O=S(=O)(c1ccccc1OC(F)F)N1CC2(CCOCC2)[C@@H]1C1CC1 294567592 LWWANAFMSCHPDO-HNNXBMFYSA-N 373.421 2.868 0 50 FFAA Cn1ccc2c(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cccc21 230164890 YKPPMNNZEVFUJE-QILLFSRXSA-N 372.494 2.843 0 50 FFAA Cc1nnc(SCCNC(=O)C2CCN(Cc3ccco3)CC2)s1 95354734 LDCGZMZKGVGEOF-UHFFFAOYSA-N 366.512 2.560 0 50 FFAA Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)sc1Cl 267528278 JHOPAFRDIQDUFK-ZETCQYMHSA-N 367.283 2.768 0 50 FFAA CCn1c(C)nnc1CN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 181285529 VXKDYHMRRRWGNG-INIZCTEOSA-N 351.458 2.771 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccccc1-c1ncc[nH]1 244724262 MQUZJEBUKJLVHV-SIXWZSSISA-N 362.433 2.584 0 50 FFAA O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc(OCC(F)F)ccn1 182244820 BOZLMSJFOVIDBC-ZDUSSCGKSA-N 361.348 2.581 0 50 FFAA CCc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)cnn1C(C)(C)C 298671580 JCDJUODDQPDZSC-UHFFFAOYSA-N 353.430 2.643 0 50 FFAA CC(C)n1ccnc1S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 299237163 IQZCEZAZQMBGQD-UHFFFAOYSA-N 356.831 2.863 0 50 FFAA O=C(CN1CCC([C@H](O)c2ccccn2)CC1)Nc1ccc(Cl)cn1 252506896 WCTJILPALZZAIX-SFHVURJKSA-N 360.845 2.514 0 50 FFAA Cc1nc(C[C@H]2CCCN(Cc3cc(-c4cnn(C)c4C)no3)C2)no1 184510819 CZMBGJCUTNDTAJ-CQSZACIVSA-N 356.430 2.530 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2)n1C 1940198344 HQCANIQTQNDOLT-KRWDZBQOSA-N 363.417 2.601 0 50 FFAA CCCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1Cl 65385192 VFIPHRYMJNDRMS-UHFFFAOYSA-N 350.846 2.871 0 50 FFAA Cc1nc(O)cc(CNC(=O)c2cccc(-c3nccn3C(C)C)c2)n1 299766273 MSFAKXGCMSMGFN-UHFFFAOYSA-N 351.410 2.865 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 299792924 GENVQKQDOQTERQ-MRVPVSSYSA-N 361.755 2.835 0 50 FFAA Cc1c(C(=O)NCc2ccc3c(c2)CCCO3)sc2ncn(C)c(=O)c12 299755411 BXIIYWWQZSPZMO-UHFFFAOYSA-N 369.446 2.558 0 50 FFAA Cc1cc(C)nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299795275 OECFUABDXRGUQV-ZCNNSNEGSA-N 364.493 2.978 0 50 FFAA CN1CCCCC[C@@H]1c1nc(COc2cccc(F)c2)nn1CCCO 670437250 DYHVUWJJONHAMA-QGZVFWFLSA-N 362.449 2.926 0 50 FFAA CCn1cc(S(=O)(=O)N2CCC[C@H](COc3ccccc3C)C2)cn1 952966052 FYCMYSSEIBQMLU-INIZCTEOSA-N 363.483 2.691 0 50 FFAA O=C1CCC(CCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)=NN1 952981306 VAEVTHDHRCOMSD-HNNXBMFYSA-N 373.844 2.926 0 50 FFAA CCCN(CCc1ccccc1)S(=O)(=O)N1CCC[C@H](COC)C1 952982279 WZYHWKLQTRYHSG-SFHVURJKSA-N 354.516 2.544 0 50 FFAA C[C@@H](NCc1ccc(OCC(=O)N2CCOCC2)cc1)C1=CCCCC1 952981162 CNJAQWOWSAGBKO-QGZVFWFLSA-N 358.482 2.903 0 50 FFAA Nc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)cn1 1565527509 BDOVIPSAEQXSQY-QUCCMNQESA-N 364.493 2.833 0 50 FFAA COCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)s1 1565506898 DZTKACKOKOITDD-IRXDYDNUSA-N 361.463 2.999 0 50 FFAA C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC1CC(F)(F)C1 277111563 XMNBVGWKWXYXGB-LURJTMIESA-N 367.215 2.543 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC1CCN(c2ccc(C)cc2)CC1 1506423730 ZGRJAKIWNHQZQP-QGZVFWFLSA-N 357.502 2.943 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cccnc3OCC)CC[C@@H]21 216948405 AWGSGVBSQMMRHY-WBVHZDCISA-N 359.470 2.734 0 50 FFAA O=C(c1cnoc1-c1ccccc1)N1CCCN([C@H]2CCSC2)CC1 1775977170 HSPBGAHCWNJQEH-INIZCTEOSA-N 357.479 2.995 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772709782 MLZJTBYVCNGFQG-VGOFRKELSA-N 360.461 2.857 0 50 FFAA CC(=O)NC[C@@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 12708725 YDDIIDMZQSVPLB-AWEZNQCLSA-N 362.861 2.662 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNC1CCCCC1 12759366 LFUIODNQJWRAFN-LJQANCHMSA-N 352.425 2.741 0 50 FFAA CC[C@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714034 WHJYBRDVMJDXDR-OAHLLOKOSA-N 358.891 2.943 0 50 FFAA CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)CC1 16651963 YEMDIGINJXKGKY-INIZCTEOSA-N 368.456 2.979 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1 19210295 RFUIXFLGBSHBCN-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA COc1ccccc1N1C(=O)C[C@H](NC23CC4CC(CC(C4)C2)C3)C1=O 19881462 KJCDCLRQZGQAJE-IIFATDLDSA-N 354.450 2.886 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CN1CCCCC1)CC2 1857676418 HBHOMJJEOFENPS-UHFFFAOYSA-N 352.482 2.500 0 50 FFAA CNCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857699181 QJXOGGKRUDYKOF-HXUWFJFHSA-N 373.541 2.694 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(C(=O)c4ccoc4)C[C@]34CC[C@H]2O4)CCCC1 1857710110 IECOEFSNNDNUHJ-BIZBXSGISA-N 372.465 2.596 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)[nH]1 213368702 FULTXDWEGQOEEX-APWZRJJASA-N 367.497 2.770 0 50 FFAA CC(C)c1nnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 408525426 WBGCOQUUYNIPDP-UHFFFAOYSA-N 351.428 2.557 0 50 FFAA COCCN(C)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 20782109 MZEXYVSYEWTIBX-OAQYLSRUSA-N 372.509 2.637 0 50 FFAA O=C1[C@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CCN1c1ccc(F)cc1 264995266 CJMQWDIMZBSWMF-IAGOWNOFSA-N 356.401 2.656 0 50 FFAA Cc1ccc2cc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)c(O)nc2c1 1704300785 ZNQOFJJGPIKRQQ-TZIWHRDSSA-N 355.482 2.527 0 50 FFAA CON1CCC(CC(=O)N2CCC[C@H](Oc3ccc(Cl)cn3)C2)CC1 1875267816 NTRRJGBFDHCHDN-INIZCTEOSA-N 367.877 2.768 0 50 FFAA Cc1cccc(-n2cc(CN[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)c(C)n2)c1 1875400027 PGBKUJZYJOXLCP-IOMROCGXSA-N 365.481 2.615 0 50 FFAA O=C(N[C@]12CCCCC[C@@H]1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1 1875405127 UOHRQCHFBBJEHC-PXNSSMCTSA-N 356.470 2.662 0 50 FFAA CC(C)c1ncncc1-c1nnc(Cc2csc(N3CCOCC3)n2)o1 1323933737 HZPMNKIETFSYOS-UHFFFAOYSA-N 372.454 2.534 0 50 FFAA C[C@@H]1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 301513552 BZOXBMJJAITVHC-WBVHZDCISA-N 369.490 2.778 0 50 FFAA COc1cccc2[nH]c(C(=O)N=c3[nH]nc(-c4sc(C)nc4C)o3)cc12 2100544638 CEWSLZXBRGZKDU-UHFFFAOYSA-N 369.406 2.974 0 50 FFAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1 1183767 DMEQLNWEKHKODN-VQHVLOKHSA-N 373.430 2.540 0 50 FFAA CCS(=O)(=O)c1cccnc1C(=O)Nc1ccc2n[nH]cc2c1Cl 2325861383 OJOODOQGGZZIIY-UHFFFAOYSA-N 364.814 2.657 0 50 FFAA CCCC[C@@H](NC(=O)c1csc(=Nc2cc(F)cc(F)c2)[nH]1)C(=O)O 2325876150 LRFGBVYSXHBKQJ-GFCCVEGCSA-N 369.393 2.960 0 50 FFAA COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Br 857792 GWIWIZIVKUENBV-UHFFFAOYSA-N 370.268 2.979 0 50 FFAA NC(=O)c1cccc(Nc2ccccc2OC[C@H](O)CN2CCCCC2)c1 2356144243 OQVNMYSYRWIOCH-GOSISDBHSA-N 369.465 2.755 0 50 FFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC 4854840 PDYDQUIZHRLCMN-OAHLLOKOSA-N 350.440 2.619 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)N2CCCc3cc(C)ccc32)cs1 6681596 NNWAHLXUOFVDRH-UHFFFAOYSA-N 350.465 2.558 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 109621858 QYJUCSBIXPMZOK-CYBMUJFWSA-N 351.830 2.711 0 50 FFAA Cc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(Cl)cc1 9698411 FLKRYMUGCJCHBK-UHFFFAOYSA-N 371.828 2.534 0 50 FFAA O=C1CN([C@H]2CCSC2)C[C@H](OCC2CC2)CN1Cc1ccccc1 104425437 YJTYWVRKBFOTQU-OALUTQOASA-N 360.523 2.632 0 50 FFAA O=C1C[C@@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccccc1 100567217 DZRLXYSHWWEOKV-GOSISDBHSA-N 369.852 2.794 0 50 FFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)nc1O 55359275 VBVUDNNDQFSAKB-LBPRGKRZSA-N 369.343 2.614 0 50 FFAA CN(Cc1ccccc1NC(=O)NC[C@@H]1COCCO1)C1CCCCC1 56550359 IIHAPRLOMAPXLN-GOSISDBHSA-N 361.486 2.988 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(NCCC(=O)NC3CCCCC3)c12 67934341 SKSPLHRKALBQTJ-UHFFFAOYSA-N 362.455 2.949 0 50 FFAA CCC1(CO)CCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)CC1 67934427 RFEFQBRVNGSJOL-UHFFFAOYSA-N 361.417 2.753 0 50 FFAA OCC1(CCc2ccccc2)CCN(c2nnnn2-c2ccccc2)CC1 67895021 GGLZHLYRFACWNI-UHFFFAOYSA-N 363.465 2.874 0 50 FFAA Cn1cccc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1=O 67741079 WYCLSFFBTDKYJR-HNNXBMFYSA-N 367.232 2.906 0 50 FFAA Cc1nc(CN2CCCN(C(=O)Cn3cc4ccccc4n3)CC2)cs1 330067848 FWTLRSHZDADSMZ-UHFFFAOYSA-N 369.494 2.536 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)Nc3ccccc3F)ncn2)c1C 72441729 HXPRQCDDGZCNHZ-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CC[C@@H]1CN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)CCN1C(C)C 72127206 JTHZDVKYDMOQFB-QGZVFWFLSA-N 372.469 2.828 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1cc2ccccc2o1 219708566 UCNUMNWJAXYQQA-SJLPKXTDSA-N 352.390 2.932 0 50 FFAA O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CCN(c2ccccc2)CC1 6738458 RDJAIFCWKHRNNO-IBGZPJMESA-N 353.397 2.668 0 50 FFAA O=C(CN[C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN=C(O)C1 329047130 GBLQUORCWOLJAD-HUUCEWRRSA-N 369.387 2.730 0 50 FFAA CC1CCN(Cc2cccc(CNC(=O)[C@H](C)C[S@@](C)=O)c2)CC1 253420739 LGTNPDGFZIEEKA-VOIUYBSRSA-N 350.528 2.549 0 50 FFAA Cc1cc(C)n2nc(C(=O)N(C)Cc3nc(-c4ccccc4)no3)cc2n1 72439529 ZXFZNYJOEWXLEU-UHFFFAOYSA-N 362.393 2.668 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 72426437 YCNRYXJOLOUZQQ-FQEVSTJZSA-N 374.525 2.763 0 50 FFAA Cc1noc(-c2ccccc2C(=O)Nc2cnn(C[C@H]3CCCO3)c2)n1 363420454 XTLDLKTUBZTWEW-CQSZACIVSA-N 353.382 2.673 0 50 FFAA CCN1CCN([C@H]2CCN(C(=O)Nc3ccccc3OCC3CC3)C2)CC1 152629697 HYJGYYVRZZJPEO-SFHVURJKSA-N 372.513 2.719 0 50 FFAA COc1cc(F)c(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c(F)c1 72428837 QZIVYVRYYFHAOU-ZDUSSCGKSA-N 368.424 2.546 0 50 FFAA Cc1cccc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 72437447 QKCBUNUKOGFFGS-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA Cc1ccc(NC(=O)C(C)(C)c2cccnc2)cc1C(=O)N1CCOCC1 488233156 NJOWFZCPIRTENE-UHFFFAOYSA-N 367.449 2.779 0 50 FFAA Cc1nc(CN2CCN(c3cc(C(C)C)nc4ccnn34)CC2)cs1 72418682 NSWJHVVDTBYMLB-UHFFFAOYSA-N 356.499 2.940 0 50 FFAA CCc1ncc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)cn1 77485568 GKXIGXXDQOEHFO-LJQANCHMSA-N 353.466 2.885 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@@H](c3nccn3C)C2)cc1 215736356 GFHAFDAQDWFPDK-MRXNPFEDSA-N 351.454 2.994 0 50 FFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 77427387 GATBLMNRWIOTOH-IBGZPJMESA-N 370.493 2.830 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCCN(C2Cc3ccccc3C2)CC1 77340095 SMJTZKOVNRZQEK-UHFFFAOYSA-N 373.884 2.962 0 50 FFAA Cc1cn2c(n1)[C@H](CNC(=O)N1CCC3(C1)Oc1ccccc1O3)CCC2 377377955 JEIRHMFILSKDDU-HNNXBMFYSA-N 368.437 2.652 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2=O)c1 15072421 WFNMIOQRTZSXAI-OAQYLSRUSA-N 358.482 2.689 0 50 FFAA COCCn1cc(C(=O)N2CCC[C@H]2c2nccn2C)c2ccccc21 378547606 HFNJJJVLRXRJCB-SFHVURJKSA-N 352.438 2.999 0 50 FFAA O=C(CCc1nc2ccccc2[nH]c1=O)NCCc1cccc(Cl)c1 82115846 IQVUZEQSDYUFIV-UHFFFAOYSA-N 355.825 2.868 0 50 FFAA O=C(c1ccc(CO)o1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426737528 PKKLUYSHYYBMEG-QYWGDWMGSA-N 369.417 2.883 0 50 FFAA CC(C)N1C[C@@H](CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 426489978 FXALVWCKLVXULJ-GOSISDBHSA-N 373.497 2.634 0 50 FFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)CCN1CCCCCC1=O 223689305 QWFDCXMSAMCPBX-UHFFFAOYSA-N 362.861 2.967 0 50 FFAA O=C(CC[C@H]1CCOC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 177523561 GTHHYDORYGDJES-NSHDSACASA-N 361.833 2.948 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cccc2c1C 220591076 AOYGFSVEOKGSHX-YEWWUXTCSA-N 352.438 2.760 0 50 FFAA CCC[C@H](NC(=O)N1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 426492753 FYRWBCHWOWYJGP-SFHVURJKSA-N 372.513 2.524 0 50 FFAA COc1c[nH]c(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cc1=O 91390763 ZIDMHZXZNUMIMN-NRFANRHFSA-N 373.497 2.531 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3sccc3C)C[C@H]2NC(C)=O)cc1 95517488 NEKUZSVNNKRORN-DLBZAZTESA-N 358.463 2.809 0 50 FFAA COc1cc(OC)cc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)c1 426595080 SJNUKUMVWVIBRD-KRWDZBQOSA-N 368.433 2.721 0 50 FFAA O=C(c1ccc(-c2ccncc2)cc1)N1CCC(N2CCOCC2)CC1 426575058 RIVWLZGKVGLEKU-UHFFFAOYSA-N 351.450 2.685 0 50 FFAA CC1CCN(C(=O)c2cccc([C@@H](C(=O)O)N3CCSCC3)c2)CC1 95362248 FMCXXXDNFJHLHD-KRWDZBQOSA-N 362.495 2.733 0 50 FFAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCN[C@H](c2ccccc2)C1 97527845 MAXBRGGNSSNZRV-AWEZNQCLSA-N 358.804 2.914 0 50 FFAA Cc1cccn2c(CC(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)cnc12 95529617 BZLHOARVLZTCLQ-QZTJIDSGSA-N 352.482 2.518 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cnn3ccccc23)s1 23399229 CDLJBKPXEHAQMU-CQSZACIVSA-N 354.435 2.733 0 50 FFAA Cc1nc2ccccc2n(CC(=O)N2CC[C@H]2c2ccc(F)cc2)c1=O 95504064 IQJONHDXQFXXCD-KRWDZBQOSA-N 351.381 2.818 0 50 FFAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)CSCCN2CCCC2)C1 95501665 NWVRAJAVWRBXBT-KRWDZBQOSA-N 364.559 2.999 0 50 FFAA O=C(CCN1CCCC1=O)NC[C@@H](O)c1cccc(Oc2ccccc2)c1 97694597 BPIHFBMJHKGNMD-LJQANCHMSA-N 368.433 2.641 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1 91678489 VBILJDHVVGPSBU-MRXNPFEDSA-N 355.482 2.921 0 50 FFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCO)CC1 95530127 DZWDQUQOEPHLAT-NRFANRHFSA-N 374.525 2.597 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)[C@H]3CCCCN3C(=O)C3CC3)nc2c1C 244794823 QULYAWWVURHIPJ-QGZVFWFLSA-N 368.481 2.630 0 50 FFAA Cc1nc(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)s1 252537229 KTKZUESWPXICSP-YRNRMSPPSA-N 372.490 2.866 0 50 FFAA NCCCOc1ccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)cc1Cl 299798869 SUBBRDSGEASUJS-KRWDZBQOSA-N 360.841 2.757 0 50 FFAA CC(C)Oc1cccc(-c2cccc(C(=O)N3CCN(CCO)CC3)c2)c1 299787885 YMBSOOHLDVCEQY-UHFFFAOYSA-N 368.477 2.891 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc2c1CCCC2 584894994 BOCRNKFNEGNNOQ-UHFFFAOYSA-N 350.466 2.766 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CC(N4CCCCC4)C3)CC2=O)cc1 952964422 NWEJONHVUMEYAZ-SFHVURJKSA-N 369.509 2.860 0 50 FFAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)Cc1cccc(Cl)c1 952972033 WFKMETUJHHMXHH-CQSZACIVSA-N 372.918 2.749 0 50 FFAA CC(C)(O)C1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 276682490 LTYJMCQFOQQNII-ZDUSSCGKSA-N 372.296 2.984 0 50 FFAA O=C(NCc1cccc(OC(F)F)c1)[C@@H]1COCCN1C1CCCC1 170610280 SEBUGOICVXTNOO-INIZCTEOSA-N 354.397 2.548 0 50 FFAA CCC(C)(CC)NC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 1529099943 IYZZSUSSIKCRHZ-MOPGFXCFSA-N 374.481 2.821 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1c(N3CCCC3)nn(C)c1C)CO2 1529101613 ITMANENBFZRRNR-HNNXBMFYSA-N 370.453 2.527 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c2cc(Cl)ccc2n1 1772708786 FIJUTLQFCXAMGR-BLVKFPJESA-N 374.824 2.760 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775983500 MMLPYSJXJNDCBZ-HXUWFJFHSA-N 353.422 2.578 0 50 FFAA O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC(F)(F)F 12326745 OYCRGLRKHYYQJF-OAHLLOKOSA-N 362.779 2.990 0 50 FFAA CC(C)NC(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12753721 LJYJWLBIHULLOP-HXUWFJFHSA-N 357.542 2.930 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)Cc3cccc(C)c3)CC2=O)cc1 14971369 PRRUAUHHPNSJRD-LJQANCHMSA-N 366.461 2.506 0 50 FFAA COc1cccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1 169779907 MBCLDPZGASYHSW-NSHDSACASA-N 368.368 2.702 0 50 FFAA O=C(N[C@H]1CC[C@@H](NC(=O)C2(N3CCCC3)CCCCC2)C1)c1ccc[nH]1 1857694479 CICVRDUOOPWAFB-DLBZAZTESA-N 372.513 2.581 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]12 1857701737 ZPAILHSGBWCAAG-UHEFJODHSA-N 355.434 2.695 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccccc3F)C[C@]23CC[C@H]1O3)c1ccco1 1857727420 RVORDKPGIORAOU-LTVCHDBBSA-N 370.424 2.828 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(c3ncnc4sccc34)C[C@]23CC[C@H]1O3 1857736290 NQVPTQGEIZTZKS-NRTGNBEESA-N 372.494 2.591 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 115471151 MHKIMNMLBSAYLH-UHFFFAOYSA-N 371.412 2.678 0 50 FFAA O=C(N1CCCC1)N1CCC[C@@H](NCc2cnc3ccc(Cl)cn23)C1 329181820 OHWUKQJNYLAKBJ-OAHLLOKOSA-N 361.877 2.758 0 50 FFAA O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)COc1ccc(F)cc1Cl 329561458 JGPGJRCDDAIHJG-HIFRSBDPSA-N 369.820 2.845 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC(=O)[C@@H](C)C1 252548964 QNWODMMDPVHEAQ-BBRMVZONSA-N 354.454 2.727 0 50 FFAA Cn1cc(NC(=O)Cn2cc(NC(=O)CC(C)(C)C)cn2)c(C(F)F)n1 1875276828 GHZRMUVZVYFITH-UHFFFAOYSA-N 368.388 2.568 0 50 FFAA C[C@H](N=c1nc(Cc2ccc(F)cc2)[nH]o1)c1ccc2nc(O)[nH]c2c1 1875263154 MZYJBNKRWFQUOY-JTQLQIEISA-N 353.357 2.976 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1ccnc2cc(F)cnc12 1875399620 FUGSEDHVQBFVCA-LRDDRELGSA-N 354.389 2.581 0 50 FFAA Cc1ccc(C(=O)N2CC3(CC3)C[C@@H]2CNC(=O)C2(C)CC(C)C2)n1C 1875406562 HMJHGCXXNHTNAT-CZDRUDQFSA-N 357.498 2.881 0 50 FFAA CO[C@@H](CNS(=O)(=O)c1cc(Br)sc1C)C(C)C 331110327 KRRAMEWPBAPOJN-VIFPVBQESA-N 356.307 2.768 0 50 FFAA CC1(C)NCc2sc(NC(=O)c3cc([C@@H](O)C(F)(F)F)ccn3)nc21 2325799092 UIRFCEKWROIGEX-LLVKDONJSA-N 372.372 2.724 0 50 FFAA O=C(O)Cc1ccc2c(c1)N(C(=O)C[C@H]1OCCc3ccsc31)CC2 2325808176 BJQZSTGNTGPNST-MRXNPFEDSA-N 357.431 2.968 0 50 FFAA Cc1cn(-c2ccccc2F)nc1C(=O)NC[C@H]1Cc2ccccc2CN1 2325856488 RIYMQQNBPUVLNX-QGZVFWFLSA-N 364.424 2.764 0 50 FFAA Cc1cccc(C[C@H](C)N(C)C(=O)Cn2nc(O)c3ccccc3c2=O)c1 2325864661 VLWZDMGHVIUKTM-HNNXBMFYSA-N 365.433 2.500 0 50 FFAA CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325866873 CNIFEJOSFWBNHE-UONOGXRCSA-N 358.442 2.940 0 50 FFAA COc1ccc(C)cc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 1138439 OOOIXXOCWUWUDI-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)c1ccc2ccn(C)c2n1 2356170865 IZYYLXMPKIGDED-UHFFFAOYSA-N 353.407 2.556 0 50 FFAA O=c1cc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)[nH]c2ncnn12 102440002 YSZYCHAEDZCXTA-AWEZNQCLSA-N 373.407 2.541 0 50 FFAA CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 100276715 IEVIORGJWMACIW-HOTGVXAUSA-N 374.824 2.736 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCC3=CSC4=NCCCN34)[nH]n2)o1 102561802 KPJNPJOAPRCYSV-UHFFFAOYSA-N 357.439 2.748 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCO[C@]2(CCO[C@@H]2C)C1 280577778 VWPZQDFHGHPJGC-PMUMKWKESA-N 352.862 2.855 0 50 FFAA CCn1cc(C(=O)N2CCC(n3cc(-c4ccsc4)nn3)CC2)cn1 20854950 VUACOHQWBSGENR-UHFFFAOYSA-N 356.455 2.700 0 50 FFAA Cc1[nH]c2c(C(=O)N3CCN(C)C4(CCN(C)CC4)C3)cccc2c1C 67605909 BMCYJNVZNUEZAS-UHFFFAOYSA-N 354.498 2.637 0 50 FFAA CCc1ccc(OCC(=O)NC2CCN(C)CC2)c(Br)c1 65362060 ATWZAFOMOUCLIF-UHFFFAOYSA-N 355.276 2.601 0 50 FFAA CCCc1nnc(NC(=O)CN2CCC[C@@H]2c2nc(C(C)C)no2)s1 65406454 KBJGXUQRAHSQPH-LLVKDONJSA-N 364.475 2.773 0 50 FFAA COc1ccc(N[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1OC 12307745 ODFHXDLSNONGSZ-QGZVFWFLSA-N 355.438 2.744 0 50 FFAA CCOC(=O)[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)OCC 2243949 AAFNHLREYMRPAL-CHWSQXEVSA-N 373.327 2.632 0 50 FFAA Cc1oncc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1 72135494 PARXUPKBRHBPRV-GJZGRUSLSA-N 364.409 2.598 0 50 FFAA COc1cc(OC)c(-c2nccn2-c2ccc3n[nH]nc3c2)cc1OC 72164251 QDCPTWGWWINZAW-UHFFFAOYSA-N 351.366 2.836 0 50 FFAA COC(=O)c1cc(C)nc(N[C@@H]2CCCN(Cc3cccc(OC)c3)C2)n1 72421994 QKMMVMPGQCYEGS-MRXNPFEDSA-N 370.453 2.657 0 50 FFAA CCn1ccnc1CN1CCc2[nH]cnc2[C@@H]1c1ccc(-n2ccnc2)cc1 72426464 GONPSCLRXUYNCP-NRFANRHFSA-N 373.464 2.960 0 50 FFAA CCCCCC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 72428749 IISQSWROTSACBK-QGZVFWFLSA-N 360.502 2.908 0 50 FFAA c1csc(CCNc2nc(-c3ccncc3)nc3c2CCNCC3)c1 72409614 ZTEMDCHMCNEEPG-UHFFFAOYSA-N 351.479 2.943 0 50 FFAA Cc1cc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)ccc1O 72161202 VVZIUAWEPMCGDM-UHFFFAOYSA-N 361.401 2.649 0 50 FFAA O=C1CCc2cc(C(=O)N3CCOc4cccc(F)c4C3)c(F)cc2N1 367324043 IJYJPBRSMASDKE-UHFFFAOYSA-N 358.344 2.884 0 50 FFAA O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccc1-c1nc[nH]n1 72162527 PZDNQUVXPFBREU-CQSZACIVSA-N 367.453 2.525 0 50 FFAA O=C1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2N1 172713739 WDPGUKBDGGWQIS-ZIAGYGMSSA-N 350.374 2.547 0 50 FFAA CNC1CCN(C(=O)/C=C/c2cc(Br)ccc2OC)CC1 237085879 FBTOPCQJLDLDPF-ZZXKWVIFSA-N 353.260 2.681 0 50 FFAA C[C@@H](CCn1cccn1)N1CCC(CCC(=O)NCc2cccnc2)CC1 15080532 QBBUGZYDAORZDP-SFHVURJKSA-N 369.513 2.865 0 50 FFAA O=C(c1ccc2nc(O)[nH]c2c1)N1CCN[C@H](c2ccccc2Cl)C1 374874914 KQQJWHIQOAIQCE-INIZCTEOSA-N 356.813 2.709 0 50 FFAA COc1ccc(-c2nc(CN3CCC[C@H](C(N)=O)C3)c(C)o2)c(C)c1C 71762251 GBNVLSVXHUOMAF-HNNXBMFYSA-N 357.454 2.973 0 50 FFAA O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)[C@@H]1CCCOC1 262713716 CENWCFRMDAZYHZ-ABAIWWIYSA-N 360.237 2.922 0 50 FFAA CC(C)N(C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C(C)C 71681896 GKUGQZYKNKYNDK-MRXNPFEDSA-N 361.486 2.621 0 50 FFAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)C1CCCC1)C2 72144880 QBQPFDRUSSTTMQ-UHFFFAOYSA-N 351.454 2.680 0 50 FFAA CSc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82157020 MMRUBRCBALECNP-FQEVSTJZSA-N 362.539 2.996 0 50 FFAA O=C(O)c1cccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1 263508467 XXXZKCBQEDMPBS-HNNXBMFYSA-N 369.339 2.933 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N(C)Cc1cc(-c2cccnc2)no1 95379453 LCDKFDVROPNHCA-UHFFFAOYSA-N 369.425 2.550 0 50 FFAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 426535920 QYWPXUKUOHNMIZ-MRXNPFEDSA-N 371.437 2.894 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3CCN(CCSC)CC3)cc2)n1 426567124 QXRUUXCJCSKQDK-UHFFFAOYSA-N 371.506 2.878 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)NCc1cccc(F)c1)C2 92066650 HBMIFAVFCCZLEN-FUHWJXTLSA-N 359.445 2.924 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95526689 ZXLKEORWSOLJDL-CQSZACIVSA-N 370.482 2.624 0 50 FFAA Cc1cc(C(=O)NCc2noc(-c3ccco3)n2)cc2sc(N)nc12 97088403 ZHUIFFLQRIIVNV-UHFFFAOYSA-N 355.379 2.760 0 50 FFAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCN(c2cccnc2)CC1 95361415 HMSVSYGFUIWRKL-IBGZPJMESA-N 350.466 2.511 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1cc(-c3ccccc3F)n[nH]1)CC2 91624746 WWSVTZISAGDKDT-UHFFFAOYSA-N 370.428 2.690 0 50 FFAA O=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1CCCc1ccccc1 91657295 XVXANVHCGDXSTL-UHFFFAOYSA-N 352.482 2.857 0 50 FFAA CCCN(CCOC)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91943012 DEWXOFLCXDTTSQ-INIZCTEOSA-N 366.889 2.964 0 50 FFAA COCc1noc([C@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 182513360 LDAODJLSTDXKOX-QWRGUYRKSA-N 359.352 2.829 0 50 FFAA O=C(N1CCCN(Cc2nccn2Cc2ccccc2)CC1)C(F)(F)F 252481587 COPDSUKSCREVOH-UHFFFAOYSA-N 366.387 2.528 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 252548751 QKACPKDBWVCOJY-VDISTLRHSA-N 361.877 2.952 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)NCC1(CN2CCOCC2)CC1 534646676 QTSKSQXKRKMASY-UHFFFAOYSA-N 351.878 2.594 0 50 FFAA COc1ccccc1-n1cc([C@H](C)NC(=O)N2CCC(OC)CC2)cn1 534645886 DKFWCXHOCNAXBG-AWEZNQCLSA-N 358.442 2.762 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(C)no2)cc1Cl 285528147 SEZLLFJKNUCJFJ-CYBMUJFWSA-N 371.846 2.956 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1cccnc1 390828004 NFSUHMZQYUYPGO-IBGZPJMESA-N 362.433 2.935 0 50 FFAA biogenic CN1CCC(Oc2ccccc2NC(=O)NCCc2cscn2)CC1 299780081 JQIHITATXLHSFY-UHFFFAOYSA-N 360.483 2.980 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccn3)CC2)on1 299777717 NKMXRTJRJYNDJO-KRWDZBQOSA-N 368.437 2.594 0 50 FFAA CC(C)OCCCNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 299803068 VYESQSQSKMQLKI-ZDUSSCGKSA-N 359.392 2.858 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cccc(-c2n[nH]c(N(C)C)n2)c1 299782119 VGNDERCYQUVRSF-UHFFFAOYSA-N 350.426 2.513 0 50 FFAA CC[C@H](c1nc(CC(N)=O)nn1Cc1cccc(Cl)c1)N1CCCC1 822663381 ZRKGEXUFMUIZHP-OAHLLOKOSA-N 361.877 2.555 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)N1CCC[C@H](c2ccncn2)C1 584890753 SNJHJMRHMBRSRK-ZDUSSCGKSA-N 357.483 2.554 0 50 FFAA CCCN1CCCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1=O 170607661 UAPUDPDTFJIRJF-UHFFFAOYSA-N 353.422 2.958 0 50 FFAA COC(=O)N1CCCN(C(=O)Nc2nc3c(s2)CCCCC3)CC1 170611545 AZWNKZMODJMWTC-UHFFFAOYSA-N 352.460 2.718 0 50 FFAA Cc1c(CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)oc2ccccc12 275671114 RAWIZLNJRJMDAN-MRXNPFEDSA-N 367.453 2.673 0 50 FFAA Cn1cc(CCC(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)cn1 275745674 QLAYOHWULQBTNL-QGZVFWFLSA-N 358.511 2.585 0 50 FFAA COCCSc1nnc(NC(=O)[C@@H](C)N(C)C2CCCCC2)s1 1506401256 CGBFNJCZBLQIRB-LLVKDONJSA-N 358.533 2.868 0 50 FFAA O=C(CCc1nc2ccccc2s1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529101943 RUGMMXJAFGFCDP-NVXWUHKLSA-N 367.474 2.998 0 50 FFAA CCOc1ccccc1CCCNc1nccc(N2CCC[C@H](O)C2)n1 1704342687 PPMBIAMJDMZPEI-KRWDZBQOSA-N 356.470 2.881 0 50 FFAA O=C([C@H]1CCCNC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704329342 ROBNWPXGWWNNOA-HNNXBMFYSA-N 353.466 2.558 0 50 FFAA O=C(Cc1cn2ccsc2n1)N[C@@H]1CCCN(Cc2ccccc2F)C1 12208342 AKJVHXXNGMOQME-OAHLLOKOSA-N 372.469 2.858 0 50 FFAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnsn1 12585972 SVMLKEDJLMWKMV-GFCCVEGCSA-N 361.377 2.809 0 50 FFAA Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)s1 12865699 RZOMUENTQHCPGJ-QMMMGPOBSA-N 354.794 2.631 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1CN1CCN([C@H]2CCCC[C@@H]2O)CC1 19782058 ABBCXSPUWPFGHO-PMACEKPBSA-N 354.498 2.806 0 50 FFAA CCc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)cc1 19881511 RBVQGZPCFNGEKB-CQSZACIVSA-N 356.403 2.766 0 50 FFAA Cc1cccc(OCC(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1 169778320 UEOIFCCNMBPRMP-UHFFFAOYSA-N 373.416 2.795 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)cn1 1857674232 ZFZFBKIASSDKQM-HZPDHXFCSA-N 362.470 2.651 0 50 FFAA CCc1nccn1CCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857678543 MQLHBVQFWVYQKP-JQVVWYNYSA-N 367.493 2.820 0 50 FFAA O=C(O)[C@H]1CN(C(=O)C2CCC2)CC12CCN(Cc1ccccc1F)CC2 1857691890 FNPGWIFJSQCBEK-QGZVFWFLSA-N 374.456 2.751 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2ccc(-c3ccccc3)n2C)CC[C@@H]1O 1857713516 ZEPYJJBPQIFLHN-FPOVZHCZSA-N 356.466 2.678 0 50 FFAA COCCN1C[C@@H](Cn2ccnc2-c2ccc3c(ccn3C)c2)CC1=O 1857730462 SQYUQAPFLANDNU-HNNXBMFYSA-N 352.438 2.537 0 50 FFAA O=C(CCC1CC1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857734920 YXWORWNIFKRRFA-UNMCSNQZSA-N 372.509 2.602 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N[C@@H]1CCc2ccccc2C1 1857737081 WFKOGCKPCQXLHE-MRXNPFEDSA-N 357.479 2.575 0 50 FFAA C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 447852000 XBJKSIISECRENX-NSHDSACASA-N 365.455 2.630 0 50 FFAA Cc1ccccc1[C@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)C1 408388779 XBYAXDLWDVFSCQ-STQMWFEESA-N 353.875 2.949 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 123328569 DYYBEKXBFRZFLG-ZFWWWQNUSA-N 351.328 2.752 0 50 FFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 332132702 OWELFXCJHSRCNG-AWEZNQCLSA-N 373.888 2.715 0 50 FFAA Nc1c(C(=O)Nc2ccccc2)nnn1-c1cccc(Br)c1 11693044 YLNYWCWUTGJBRY-UHFFFAOYSA-N 358.199 2.864 0 50 FFAA C[C@H](NC(=O)N1CCC(N2CCCNC2=O)CC1)c1ccc(F)c(F)c1 131305047 QCGIENUVFXRNCA-LBPRGKRZSA-N 366.412 2.615 0 50 FFAA O=C(NCCn1ccnc1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 363307456 SHTCJLVHISYHHS-NRFANRHFSA-N 367.497 2.581 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C)O[C@@H]2CCC[C@H](C)C2)C1 952852894 OAUUZNIOIRQSRU-BHQQPIICSA-N 351.447 2.650 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCOC(C)(C)C2)C1 1875259800 PLHWRASXXAMLSH-HUUCEWRRSA-N 362.474 2.669 0 50 FFAA CN(C)c1cc(Br)cc(C(=O)N2CC3(CO)CCC2CC3)c1 1875307082 JWJAXRSXEIWFBI-UHFFFAOYSA-N 367.287 2.892 0 50 FFAA CC(=O)N[C@@H]1CC[C@H](Cc2nnc(N[C@H]3CCc4ccccc4C3)o2)C1 899248189 USJCUBLTMPXZHN-QGTPRVQTSA-N 354.454 2.886 0 50 FFAA CN(C(=O)c1c[nH]nc1[C@H]1CCCNC1)c1nnc(-c2ccccc2)s1 2325753304 YMEBXFYPZVYPMY-ZDUSSCGKSA-N 368.466 2.672 0 50 FFAA COC(=O)c1cnc([C@@H]2CCN(C(=O)[C@H]3C[C@H]4[C@@H](C3)C4(F)F)C2)s1 2325770142 IXDXWRPTUAYVFA-DBIOUOCHSA-N 356.394 2.537 0 50 FFAA O=C(OCc1nnc(C2CCC2)o1)c1ncn2c1COc1ccccc1-2 2325789141 WDMYEVPPUJDDLV-UHFFFAOYSA-N 352.350 2.772 0 50 FFAA COC(=O)c1cc(CSc2nc(O)c3c[nH]nc3n2)c(Cl)s1 2325863778 WGPKODXWQPPRDR-UHFFFAOYSA-N 356.816 2.852 0 50 FFAA COc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1 1114186 XXGLESOHKLSGIJ-UHFFFAOYSA-N 368.433 2.692 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1 1151508 MFSDUWFVFGLXGX-CYBMUJFWSA-N 360.435 2.644 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1O 1177337 IYWNQWZVYAERCL-INIZCTEOSA-N 362.179 2.567 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(N)c1 1182786 GDSKWJPHGYWSLB-UHFFFAOYSA-N 357.414 2.934 0 50 FFAA CCN1C(=O)N[C@H](c2ccc(SC)cc2)C(C(=O)OCCOC)=C1C 2776419 HCMMPIPQFYCKOB-MRXNPFEDSA-N 364.467 2.958 0 50 FFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 2979836 MXQMAJKNJSQKJR-UHFFFAOYSA-N 374.418 2.617 0 50 FFAA C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ncon1 245968377 VYFBXCSFXJFNPK-ORQFMDKSSA-N 368.437 2.720 0 50 FFAA CNC(=O)c1cccc(C(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)c1 461038087 MZRXOIZNPPEVLM-UHFFFAOYSA-N 374.404 2.575 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)N(C)CCCO)co3)ccc2s1 67886249 ZMWQSCNBGNRLRN-UHFFFAOYSA-N 361.423 2.626 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n[nH]c1=O 67966084 PPJRAPNBQGSMSJ-CYBMUJFWSA-N 357.433 2.900 0 50 FFAA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@@H]1C(=O)O 136520237 MHSZUFBELCOXRZ-JOYOIKCWSA-N 373.236 2.577 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3ccc(O)cc3)cnn2c1 67820529 YXWZQUMWJAMMFK-CQSZACIVSA-N 367.453 2.768 0 50 FFAA Cc1ncc(CO)c(CN2CCN(c3nsc4ccccc34)CC2)c1O 67868044 HJKTZUUJXZMSBR-UHFFFAOYSA-N 370.478 2.520 0 50 FFAA CN(c1ccccc1)S(=O)(=O)NC(=O)CCc1cccc(Cl)c1 252491580 LOAQGNJNLLJUQK-UHFFFAOYSA-N 352.843 2.770 0 50 FFAA Cn1cc(C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1 2781312 GBXGHWBHBYDTLJ-UHFFFAOYSA-N 371.269 2.613 0 50 FFAA Cc1cccc(OC2CN(Cc3cnc(NC[C@@H]4CCCO4)nc3)C2)c1 72167693 VOKIXBYSRABQTO-SFHVURJKSA-N 354.454 2.639 0 50 FFAA CCc1cnccc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328622578 IMOJFPGWGMNYNB-KRWDZBQOSA-N 366.465 2.933 0 50 FFAA O=C(COc1cccc(Cl)c1)NCc1ccccc1CN1CCOCC1 38733367 LPYONRBGNNHSNX-UHFFFAOYSA-N 374.868 2.867 0 50 FFAA Cc1nc(=O)cc([C@@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)[nH]1 216303479 LZGUODDTPJCCGF-CYBMUJFWSA-N 371.872 2.998 0 50 FFAA Clc1ccc([C@H]2CN(Cc3cnc(N4CCOCC4)nc3)CCO2)cc1 71738843 CUOOYQIRFHKFPS-GOSISDBHSA-N 374.872 2.540 0 50 FFAA Cc1nc([C@@H]2CCCN(c3ncccc3C(=O)O)C2)cc(N2CCCC2)n1 72475430 DLFLPYGZTDTQND-OAHLLOKOSA-N 367.453 2.862 0 50 FFAA CNc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 71762897 ISQHWLXVCZMYOG-KRWDZBQOSA-N 371.460 2.921 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC(c2nc[nH]n2)CC1 363363424 XTRGTAKOKVKRFU-OAHLLOKOSA-N 353.470 2.742 0 50 FFAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1csc(O)n1 365311027 WAMFYNKNPDKUQU-VIFPVBQESA-N 373.356 2.756 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)CCc2nc[nH]n2)[nH]c1-c1ccccc1 365861734 MGUXVBUUXHXPPS-HNNXBMFYSA-N 350.426 2.800 0 50 FFAA Cc1ncn(CC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)c1C 218877899 OOBYNPSBSYUISN-MRXNPFEDSA-N 351.454 2.793 0 50 FFAA Cn1cc([C@@H](NC(=O)CCc2nc3ccccc3s2)C2CC(O)C2)cn1 219184687 PRDHGOCJGXPBEP-JSORRYRYSA-N 370.478 2.591 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4ccc(C)c(Cl)c4)ccc3n2n1 72119439 MABXHPGPANIQDR-UHFFFAOYSA-N 358.814 2.507 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nc(-c2ccoc2)no1 237969458 JDCPTIKURAPWJV-UBHSHLNASA-N 359.382 2.507 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Nc2cnccn2)c1 238045471 AQWNRXKMCGVNEI-GOSISDBHSA-N 374.400 2.872 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(SCCO)cc1 215452566 QFAQTVRFLVOBBA-HNNXBMFYSA-N 359.447 2.731 0 50 FFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccn(C(F)F)n1 220616160 IWRTXBRHHPRNDN-UHFFFAOYSA-N 367.743 2.954 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)CCC(=O)c1ccccc1 82137274 YFCPQBYKOXWMHZ-UHFFFAOYSA-N 350.378 2.753 0 50 FFAA C[C@@H](NC(=O)c1ccc(N(C)CCO)cc1)c1ccccc1-n1cccn1 221153920 SAEZRTNUVWOBNY-MRXNPFEDSA-N 364.449 2.792 0 50 FFAA Cc1nc(C2CC(O)C2)cc(N2CCC(c3nc(C(C)C)no3)CC2)n1 223940759 GTBUGIOMMVITPV-UHFFFAOYSA-N 357.458 2.914 0 50 FFAA CN(C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(Oc4ccccc4)o3)C[C@H]21 82107966 CAWYOGLXRCOBGB-GOEBONIOSA-N 369.421 2.900 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccc(-c3cncc(OC)c3)cc2)CC1 426404212 IDIALSBAQNTAIW-UHFFFAOYSA-N 369.421 2.672 0 50 FFAA CN(C[C@H]1CCOC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 177327722 RRBOXFOZFDLUJT-MRXNPFEDSA-N 350.422 2.588 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)C1 426719788 CRAWWRAZYBXCDW-MRXNPFEDSA-N 362.433 2.828 0 50 FFAA CCN(C)C(=O)c1ccc(-c2nc(=N)c3cc(OC)c(OC)cc3[nH]2)cc1 426428473 ZUIMOSDMOXWYPK-UHFFFAOYSA-N 366.421 2.818 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c2ccc(F)cc2n1 82125623 DOMGJYGSFHSEDQ-LJQANCHMSA-N 363.392 2.735 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)NC2Cc3ccccc3C2)c1C 426597149 AQBLPERAUKPHGP-UHFFFAOYSA-N 370.497 2.845 0 50 FFAA O=C(CN1CCCCC1)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82121361 HKVAPNPRPTUKLI-UHFFFAOYSA-N 373.545 2.524 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)Cc2c(Cl)cnn2CC)cc1 20602494 QQSVCEIGXSQIJL-UHFFFAOYSA-N 357.863 2.776 0 50 FFAA O=C(c1cccnc1O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426728315 SRPCZWKFACYAPT-QYWGDWMGSA-N 366.417 2.898 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)NCCOc1ccccc1 426434611 YQHYXZSXBDZIQB-IBGZPJMESA-N 353.466 2.764 0 50 FFAA OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCCC1 20878077 JYGUULWDAKZDRC-KRWDZBQOSA-N 360.527 2.893 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)N[C@@H](c1ccccc1)c1ccco1 426511927 ALHHXJFIEABFTM-SFHVURJKSA-N 358.438 2.800 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)CN2C(=O)CSc3ccccc32)n1 95503101 XXJSXABALGMGRT-AWEZNQCLSA-N 372.450 2.571 0 50 FFAA COc1nc2c(cc1C(=O)N1CC[C@@](O)(c3ccccc3C)C1)CCC2 92081256 HTYHWCJZWRPYMQ-NRFANRHFSA-N 352.434 2.621 0 50 FFAA CN(CCCOc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(C2CC2)C1 91575097 YFAVJTPXRXGXRB-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA C[C@@H](NC(=O)c1ncc(F)cc1F)c1ccc(N2CCCNC2=O)cc1 292170709 UWJOAZRJJUYLGX-LLVKDONJSA-N 360.364 2.771 0 50 FFAA Cc1ccc(NCCCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)nc1 95508059 OYFDOEZTAWVYQW-QGZVFWFLSA-N 356.470 2.813 0 50 FFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2csc3c2CCCC3)C1 91625900 FHBOWTPIDIQLPI-SFHVURJKSA-N 351.468 2.970 0 50 FFAA COc1ccc2c(c1)CCN(c1cncc(C(=O)N3CCCCC3)n1)CC2 95382321 XBKZSCIRXGWSMZ-UHFFFAOYSA-N 366.465 2.717 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3c([nH]c1=O)CCCC3)C2 91915420 IFTKCBNCHFWDDR-SJLPKXTDSA-N 369.509 2.756 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c(OC)c1 91662950 FQIHFHKLTXIDCA-ZWKOTPCHSA-N 358.482 2.927 0 50 FFAA COCCNCC(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 237260703 KAIWQGPNSLOCDD-UHFFFAOYSA-N 373.400 2.927 0 50 FFAA O=C(c1ccncc1F)N1CCC(c2nccn2Cc2ccncc2)CC1 95501793 PDPFJUJMLYKISP-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2F)C1 95505831 NBWPFDRUPDPEPN-OAHLLOKOSA-N 372.444 2.568 0 50 FFAA Cc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1N1CCNC1=O 96150723 HSONROMRVNEDMP-KRWDZBQOSA-N 369.469 2.566 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 91707852 QJLPKYHIWLAOKE-MRXNPFEDSA-N 370.453 2.903 0 50 FFAA CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 95516869 UQGQQVLHDMIPFB-OAHLLOKOSA-N 362.470 2.749 0 50 FFAA CCCN1CCC[C@@]2(CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1=O 91562984 KPNZJTHITXCHDL-NRFANRHFSA-N 368.433 2.658 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCCN2CCOCC2)C1 95385582 KTYVFHSGSUMHBX-GOSISDBHSA-N 362.518 2.502 0 50 FFAA CCn1nc(C)c(CCNC(=O)C2CCN(Cc3ccco3)CC2)c1C 95390334 DDOQCOHOWNLRBQ-UHFFFAOYSA-N 358.486 2.684 0 50 FFAA CCOc1ccc(NC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)c(F)c1 96179692 YCEOMRMFPCJOKL-SFHVURJKSA-N 371.412 2.799 0 50 FFAA CCOc1ccc(S(=O)(=O)NC2(c3nccs3)CCCC2)cn1 181293371 XLGDSRCDKJXVGD-UHFFFAOYSA-N 353.469 2.685 0 50 FFAA Cc1cc(O[C@H](C)C(=O)N(CCC(=O)O)C2CCOCC2)ccc1Cl 299747217 CKCNWGVOXGUAFV-CYBMUJFWSA-N 369.845 2.898 0 50 FFAA COc1ccc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n(C)c2c1 244884191 YHEDXYUSFXZJPN-MDOVXXIYSA-N 365.433 2.824 0 50 FFAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cc(-c2ccccc2Cl)no1 252508518 XOLYVKSPXHMAON-LLVKDONJSA-N 366.826 2.560 0 50 FFAA COCc1noc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1 534639267 PLCIWKWBLNWUSS-LBPRGKRZSA-N 373.438 2.872 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)C3CC3)C[C@@H]1N(Cc1ccnc(C(C)C)n1)CC2 534644871 ZZWBMZNEKWBGHT-PLMTUMEDSA-N 372.513 2.638 0 50 FFAA O=C(c1ccncc1)N1CCCN(CCCOCc2ccccc2)CC1 363778901 NRBWQEPFPNWREX-UHFFFAOYSA-N 353.466 2.836 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2c(n1)N(C)CC2)CC3 1940193716 QLJRELBGOVKINN-UHFFFAOYSA-N 362.433 2.762 0 50 FFAA CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC(C)C)C2 299777356 OIHQESQPNGWERD-WDEREUQCSA-N 351.472 2.788 0 50 FFAA Cc1ncsc1CCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 299780473 QDWCZKQUEOTSRQ-LLVKDONJSA-N 360.439 2.559 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1COC[C@@H]1N1CCCCC1 299777662 LGXLYQKDVMTDNW-HOTGVXAUSA-N 356.388 2.617 0 50 FFAA O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1ccccc1-n1ccnc1 827831150 ZMIVRQZYYSFSSP-LJQANCHMSA-N 374.444 2.505 0 50 FFAA CN1CCN(C)[C@H](CNC(=O)N2CCC(CCCc3ccccc3)CC2)C1 584899448 GKCPKMJICXDXIJ-OAQYLSRUSA-N 372.557 2.677 0 50 FFAA CCc1noc(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)n1 1565507644 NOYNIYBRHXZBHH-QAPCUYQASA-N 352.482 2.696 0 50 FFAA COCc1ccc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)s1 1565529874 TUOMNESWFZJOMO-LIRRHRJNSA-N 373.430 2.598 0 50 FFAA COc1cc(C)ccc1OCCN1C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C1 1565528012 PBVGQVOGRFNHNM-SJORKVTESA-N 363.502 2.610 0 50 FFAA CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 170618676 UQRIEUPJTDHRQR-CYBMUJFWSA-N 358.417 2.762 0 50 FFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CSC(C)(C)C 170601436 SPDSVIYURYVPOQ-IBGZPJMESA-N 350.528 2.614 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2O)n[nH]1 1529191698 CBSLUXLEJKALML-KDOFPFPSSA-N 371.872 2.797 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(C)c1C 1704304379 QUUNHSHUFNUPNN-MJGOQNOKSA-N 367.511 2.936 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 1704297799 CNFZZBDAWICRQE-TZIWHRDSSA-N 354.498 2.664 0 50 FFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 759261 SLZJAUOYDRKVTP-KRXBUXKQSA-N 354.381 2.916 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C(=O)O 212558802 DRZXQXDOBZIERR-CVEARBPZSA-N 353.422 2.537 0 50 FFAA CC(C)N1C[C@H](CN2CCN(c3ncccc3Cl)CC2)CCC1=O 1775984083 HIFWMMPTUHAVIX-HNNXBMFYSA-N 350.894 2.504 0 50 FFAA O=C([C@H]1CC2CCN1CC2)N1CCCN(c2nc3ccccc3s2)CC1 1775980520 CGFXFMARAYZSGA-QGZVFWFLSA-N 370.522 2.819 0 50 FFAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)Cn1cccn1 12595288 ANDHUZWBYVWMEF-UHFFFAOYSA-N 368.525 2.995 0 50 FFAA OCCN1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 13497411 MPXNLHPGSSJMFC-UHFFFAOYSA-N 357.479 2.786 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCO[C@H](CCc2ccccc2)C1 14952133 HHWCRMNVWWXHQS-LJQANCHMSA-N 358.482 2.639 0 50 FFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2ccccc2)c1=O 14990762 JPSDTZQXKHYJRD-UHFFFAOYSA-N 367.449 2.643 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC[C@@H](n3cc(-c4noc(C)n4)nn3)C2)c1 169777786 QMTSDEFOFGKLFW-OAHLLOKOSA-N 366.425 2.731 0 50 FFAA O=C(Cc1ccoc1)N[C@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@@H]1O 1857527731 OXAWTYCRNYLVIN-NEWSRXKRSA-N 365.433 2.642 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857687367 UFKXEKFEZLNIOI-FPOVZHCZSA-N 371.481 2.754 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(CC(=O)N1CCCCC1)CC2 1857706253 MJCWXQPQSBUBMH-UHFFFAOYSA-N 352.482 2.500 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cccc3nn[nH]c13)CC2 1857711386 WOCAGKNUGJWIIZ-UHFFFAOYSA-N 372.432 2.599 0 50 FFAA CCn1ccc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)n1 1857739526 UVWCAZZQIBNXFF-PMACEKPBSA-N 368.481 2.581 0 50 FFAA COc1cc(Br)ccc1C(=O)NC1CCC(C(=O)O)CC1 126827427 QBHUBDNHHLQWHT-UHFFFAOYSA-N 356.216 2.831 0 50 FFAA N=c1[nH]c(CCC(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cs1 1875248817 PYOGUKSYIFOPBU-DLBZAZTESA-N 357.479 2.867 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(CCOCc3ccccc3)C2)N1Cc1ccccn1 222003571 WMYFKFNNIYMXGA-CTNGQTDRSA-N 365.477 2.721 0 50 FFAA O=C(O)[C@H]1CCCN1Cc1nc(-c2ccc(Br)s2)no1 238102484 FYEYYLPVJZHLAK-SSDOTTSWSA-N 358.217 2.610 0 50 FFAA CCO[C@@H](CCNC(=O)c1cc(N2CCOCC2)ccn1)C1CCCC1 131449628 KEGMFMGXZYAUGB-IBGZPJMESA-N 361.486 2.633 0 50 FFAA Cn1nc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1C(F)(F)F 903657418 CMTSJTMHYAAXBV-UHFFFAOYSA-N 373.356 2.759 0 50 FFAA COc1ccc(Nc2cc(NCc3cc(C)nn3C)ncn2)c(OC)c1 804699106 CXZGABSUHCJNDZ-UHFFFAOYSA-N 354.414 2.891 0 50 FFAA C1CCC(n2nnc3c2C[C@@H](c2nc(-c4n[nH]c(C5CC5)n4)no2)CC3)C1 952892300 CUZRAIVGRCZTHY-NSHDSACASA-N 366.429 2.711 0 50 FFAA COCc1cc(CNC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)on1 1875296650 HEHBVJRYPQVFJK-UHFFFAOYSA-N 369.425 2.764 0 50 FFAA CCSCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 1875283284 MLBATKRHFWPOCU-UHFFFAOYSA-N 371.509 2.873 0 50 FFAA CON1CCC(CC(=O)N[C@@H](c2ccccc2)c2noc(C3CC3)n2)CC1 1875267688 FLNYMHFWVHCFRS-SFHVURJKSA-N 370.453 2.816 0 50 FFAA Cn1cc(C(=O)NC2(c3ccc(Br)cc3)CC(F)C2)nc1O 1875392186 WSBVXJDSCFHZFU-UHFFFAOYSA-N 368.206 2.645 0 50 FFAA Cc1c(N2CCC(C)(N(C)C)CC2)nn2c(C(F)(F)F)nnc2c1C 894847276 BISGOBSSJKVLPX-UHFFFAOYSA-N 356.396 2.680 0 50 FFAA CC(C)c1nnc(CCc2nc(-c3ccc4ncnc(O)c4c3)no2)o1 2325736404 DFCKVSLFPXYVGI-UHFFFAOYSA-N 352.354 2.677 0 50 FFAA COc1cc(S(=O)(=O)N2CCC[C@@H]2Cc2cccc(F)c2)sn1 2325819097 RIDSTOBPNRXINY-CYBMUJFWSA-N 356.444 2.687 0 50 FFAA O=C1c2ccccc2C(=O)N1CN1CCN(Cc2cccc(Cl)c2)CC1 20045298 PCZXBFDYZKLEDO-UHFFFAOYSA-N 369.852 2.711 0 50 FFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C1=S 754286 REVIXRQYULSBLA-SJLPKXTDSA-N 363.442 2.947 0 50 FFAA COc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1OC 846476 MOAGWUGCDXECBP-UHFFFAOYSA-N 355.394 2.561 0 50 FFAA CCOc1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 1144241 GNTRGSOZRHIOET-AWEZNQCLSA-N 362.451 2.879 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cc3c(nc2O)CCCC3)C1=O 2356139845 JQTICWCOVGVTKB-NRFANRHFSA-N 371.481 2.672 0 50 FFAA CCOC(=O)c1sc(NC(=O)CSc2nnc(C)s2)nc1C 2393391 SIFFKOICRHAVAO-UHFFFAOYSA-N 358.470 2.519 0 50 FFAA COc1ccc(CNC(=O)C(=O)Nc2cccc(Br)c2)cc1 2901861 DDQIVYBORIXZLQ-UHFFFAOYSA-N 363.211 2.713 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 4001781 MWOGXFFMSWEFLR-KRWDZBQOSA-N 360.435 2.913 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 4488065 YCNQCZGADFSSKL-VIFPVBQESA-N 351.255 2.604 0 50 FFAA COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1O 4488799 IULANVULUJQVRB-NSHDSACASA-N 357.362 2.655 0 50 FFAA COc1cccc(CN2CCC(C(=O)NCc3ccco3)CC2)c1OC 4725447 DZOGEQCJVFRAQU-UHFFFAOYSA-N 358.438 2.825 0 50 FFAA CCOc1cc(-c2nc3c4cnn(C)c4ncn3n2)ccc1OC(F)F 2802616 VNCAAWSYAXPKGN-UHFFFAOYSA-N 360.324 2.678 0 50 FFAA Cc1cc(CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc(C)n1 421555150 HLDGLICNHJWOTN-OAHLLOKOSA-N 353.422 2.519 0 50 FFAA CC(C)c1cncnc1N1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 106983530 VXPDETVSGUKEGA-SFHVURJKSA-N 358.461 2.812 0 50 FFAA CCn1cc(C(=O)N[C@H]2COC3(CCCC3)C2)c(=O)c2ccc(C)nc21 20820157 NFRDILRQLNUCOG-CQSZACIVSA-N 355.438 2.556 0 50 FFAA CSc1ccccc1C(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 20599507 SOAVHZQIRIFAOX-ZDUSSCGKSA-N 360.483 2.606 0 50 FFAA CC(C)(C)OC(=O)[C@](C)(O)CN[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 252485883 BJOOBJUJSMSNNV-JZJXAQOMSA-N 374.525 2.579 0 50 FFAA COc1cccc(S(=O)(=O)CCN2C[C@H](C)C[C@H]2c2cccnc2)c1 252550382 SMXXQSGCEUQKTC-BEFAXECRSA-N 360.479 2.947 0 50 FFAA CC[C@@H](C)CNC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 67841927 DYRXHLPMVOIUKV-CYBMUJFWSA-N 355.398 2.610 0 50 FFAA COc1ccc(C(=O)N2CCN(CC(C)(C)CN3CCCC3)CC2)cc1 72130782 ACKUUKWVRLLOQJ-UHFFFAOYSA-N 359.514 2.575 0 50 FFAA O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](c2ccc(F)cc2)C1 77437941 BHRZSOHDEISKIG-OAHLLOKOSA-N 351.381 2.552 0 50 FFAA CN(C)CCN1C[C@]2(CCCN(c3ccc(Cl)cn3)C2)CCC1=O 72426004 CLEZDSGYKOXRNR-GOSISDBHSA-N 350.894 2.506 0 50 FFAA CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 153338164 WMKNXYCKSQTEGU-SFHVURJKSA-N 370.497 2.933 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)NC[C@@H]1OCCc2ccccc21 219649341 WZIBXKGWURBLCE-SFHVURJKSA-N 369.396 2.649 0 50 FFAA CC(C)N1CC[C@H](CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)C1 71759943 YFJJHZYCIGLBHW-MRXNPFEDSA-N 356.470 2.791 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CCc3nc(C)ncc3C2)c1 369456091 FENXUNCHOCPCGQ-KRWDZBQOSA-N 350.466 2.981 0 50 FFAA O[C@@H]1Cc2ccccc2C12CCN(Cc1cn(-c3ccccc3)nn1)CC2 72164300 FWYUGUAGEMQENS-OAQYLSRUSA-N 360.461 2.718 0 50 FFAA Cc1cc(C)n(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2cnn3C)n1 72166994 GYWJWGZDPSIQFM-ZDUSSCGKSA-N 362.441 2.739 0 50 FFAA COc1ccccc1CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 39510403 FZLZLSBGPROVOM-HXUWFJFHSA-N 358.457 2.903 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1 72477571 LPOSRYNKMUHIKY-LJQANCHMSA-N 371.481 2.518 0 50 FFAA O=C(NCCc1cscn1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 159121428 PEQVENFQWHZFDW-OAHLLOKOSA-N 353.394 2.747 0 50 FFAA CCOC(=O)C1(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)CCC1 159259276 YZBBMYDJOITHNQ-UHFFFAOYSA-N 350.440 2.970 0 50 FFAA CCc1nc(N)sc1C(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 77487592 HPOJTZXUHFRVHN-CQSZACIVSA-N 357.479 2.952 0 50 FFAA Cc1cc(C(=O)N2CCN(CC(F)(F)F)C[C@@H](C)C2)c2n[nH]cc2c1 333953556 DLFPAMMFDQGJRE-GFCCVEGCSA-N 354.376 2.828 0 50 FFAA C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 263098272 ILXGTQCKTUQOMD-OLZOCXBDSA-N 366.845 2.562 0 50 FFAA Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CC[C@@H](N)C1 237709315 VEVKMTWOGYMEKY-GFCCVEGCSA-N 367.280 2.898 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 237923805 FZGRPNQENUMDAS-HOTGVXAUSA-N 358.438 2.824 0 50 FFAA COc1ccccc1N1C[C@H](NC(=O)c2ccccc2SC)CC1=O 222993043 MWVTVHROVLFUTC-CYBMUJFWSA-N 356.447 2.952 0 50 FFAA CN1C(=O)C[C@@H](CNC(=O)COc2cccc(Cl)c2)c2ccccc21 221208863 QOODCFXQMQTWPG-ZDUSSCGKSA-N 358.825 2.985 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3ccc4c(c3)CCC4=O)c2)C1 426584577 CQSCZILWIIFWGC-SFHVURJKSA-N 362.429 2.820 0 50 FFAA O=C(C[C@H]1CCCC(=O)N1)NCc1ccnc(Oc2ccccc2F)c1 289417420 MJPOGZSXKVWZLP-CQSZACIVSA-N 357.385 2.688 0 50 FFAA CCCc1cncnc1NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82091732 IDWPBJUCPXTCDR-UHFFFAOYSA-N 368.485 2.770 0 50 FFAA CCC(C)(C)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 426590066 ZVSQJLOLYWWCGI-UHFFFAOYSA-N 351.398 2.577 0 50 FFAA COc1cccc2c1OCCCN(C(=O)c1nc3ccccn3c1F)C2 91635653 WGBHSYZKJZRRBR-UHFFFAOYSA-N 355.369 2.907 0 50 FFAA COc1cc(Cl)c(CN2CC[C@@]3(CCCN(C)C3=O)C2)c(OC)c1 91876718 DKORPCPCUBPWES-SFHVURJKSA-N 352.862 2.802 0 50 FFAA Cc1ccc([C@H](CNc2nc3c(s2)c(C)nn3C)N2CCOCC2)o1 95498845 LNWXWRLPKPZITL-ZDUSSCGKSA-N 361.471 2.725 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)NCCc2cccc(Oc3ccccc3)c2)C1 91551428 XYFYQECLDHXKAN-QGZVFWFLSA-N 367.449 2.928 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H](c1ccco1)N1CCCC1 97773115 DHOAMKIEAUOERN-SFHVURJKSA-N 356.470 2.767 0 50 FFAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CC1c2ccccc2CCc2ccccc21 95511423 HYZOFLLUUDQERO-VXKWHMMOSA-N 364.489 2.752 0 50 FFAA Cc1ncc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c(C)n1 97797302 ALEGUOYIYMTBAP-SFHVURJKSA-N 355.438 2.794 0 50 FFAA CN(C)c1ccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cn1 97711691 ZXPZSLSIRNCILZ-LJQANCHMSA-N 352.482 2.757 0 50 FFAA c1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc1 91807466 QYOAVFDZOZGKDL-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA Cc1cc(C)c2c(NC[C@H](c3cccnc3)N3CCOCC3)ncnc2n1 95378108 XUZFJYJRRWMZOS-QGZVFWFLSA-N 364.453 2.522 0 50 FFAA Cc1ccc([C@@H](CNc2nc3c(s2)c(C)nn3C)N2CCOCC2)o1 95498844 LNWXWRLPKPZITL-CYBMUJFWSA-N 361.471 2.725 0 50 FFAA Cc1noc(C)c1[C@H](C)CC(=O)Nc1cn(C)cc(Br)c1=O 181854888 FZFUBYJENAAPJR-MRVPVSSYSA-N 368.231 2.885 0 50 FFAA O=C(NCCC(=O)N1CCC(c2ccncc2)CC1)c1ccc(F)cc1 252489443 JRDYUZQFZQBURX-UHFFFAOYSA-N 355.413 2.747 0 50 FFAA COc1cccc([C@@H]2[C@H](C(=O)Nc3ccncc3)CC(=O)N2C2CC2)c1 183209572 KHTATHVJZDYKJN-IEBWSBKVSA-N 351.406 2.781 0 50 FFAA CC1(Cn2cc(C(=O)Nc3nc(-c4cccc(F)c4)cs3)nn2)COC1 183870921 DLEQHDSIIGQHBA-UHFFFAOYSA-N 373.413 2.830 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccc3c(n2)N(C)CC3)c2cccnc12 1940198411 PFFDKXSVIVAMAL-UHFFFAOYSA-N 362.433 2.903 0 50 FFAA COc1ccc(-n2cc([C@H](C)NC(=O)CN(C)C3CCCC3)cn2)cc1 299780863 CKSSYRCLCUANIT-HNNXBMFYSA-N 356.470 2.933 0 50 FFAA CCn1c(C)cc(C)c(C(=O)Nc2cccc(-c3nncn3C)c2C)c1=O 952977602 YAXDVTWTHHTTLV-UHFFFAOYSA-N 365.437 2.841 0 50 FFAA CN(Cc1cnc(-c2ccccc2)s1)C(=O)CCC1=NNC(=O)CC1 952978936 WHMMBUMRJYCUJN-UHFFFAOYSA-N 356.451 2.815 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1onc3c1CCCC3)C2 1565506834 FGVZXSRWBXBZHN-CABCVRRESA-N 357.454 2.583 0 50 FFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NS(=O)(=O)C1CCC(C(F)(F)F)CC1 408496785 QERATQOKWNBMAQ-HGEGZGOOSA-N 369.405 2.511 0 50 FFAA O=C(NC1(c2ncon2)CCOCC1)c1ccc(Oc2cccnc2)cc1 273180785 DXTIKITVSLNYIJ-UHFFFAOYSA-N 366.377 2.693 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1 192352029 YSNKZJCTJAFHRR-GOSISDBHSA-N 360.479 2.810 0 50 FFAA Cc1ccc([C@@H](C)C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)o1 764877238 DKMOSINLCQLPGK-OAHLLOKOSA-N 355.438 2.755 0 50 FFAA Cc1cc([C@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)ccc1F 1506410522 LWYVEXCRVWHSRM-QGZVFWFLSA-N 360.385 2.701 0 50 FFAA Cc1c(NC(=O)C2CCN(Cc3ccco3)CC2)c(N2CCCC2)nn1C 1529144060 GCSJQNGIGBLKQF-UHFFFAOYSA-N 371.485 2.772 0 50 FFAA COc1cccc(N2CCN(c3ccc(C(=O)N(C)C)cn3)CC2(C)C)c1 1529189499 PCMFJGKEWSPJFZ-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA CNCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(CC(C)C)cc3)CC[C@@H]21 220196206 VWBBLUHEUOHPJZ-UXHICEINSA-N 371.525 2.558 0 50 FFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCc2cccnc2)ccc1F 1704313601 JHRNWPJOPNGUAE-UHFFFAOYSA-N 370.384 2.880 0 50 FFAA CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1cccc(F)c1 979796 JHZOUUJJONNLNQ-OQLLNIDSSA-N 356.353 2.984 0 50 FFAA COCCNC(=O)CCC1CCN(C/C=C/c2ccccc2OC)CC1 12507501 KFKPWTHGUNOXIR-FNORWQNLSA-N 360.498 2.963 0 50 FFAA CC(C)CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 12585289 GULKIOBEWLXERY-FQEVSTJZSA-N 367.493 2.645 0 50 FFAA CC(C)C(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 12587308 MMYAZEZXNKWHJQ-LJQANCHMSA-N 371.525 2.662 0 50 FFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(F)cc1 169752386 AYJVKLBKCRAHQE-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA O=C(CCCOc1ccccc1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 219072055 OLOBXJDPQGOYEL-YVWKXTFCSA-N 354.450 2.739 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc(C4CC4)nc3)CC2)O1 1857709537 CYTKCRFNCRPEFC-IAGOWNOFSA-N 359.470 2.525 0 50 FFAA Cc1nn(C)c(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)c1C 1857740921 SSCGJTBOXRIPBT-CSODHUTKSA-N 367.449 2.728 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875241231 RLJRDRXCGTVCIU-ROUUACIJSA-N 361.825 2.923 0 50 FFAA O=C(O)c1cc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)ccn1 238158082 FGIKMMOTWBFSMO-INIZCTEOSA-N 358.369 2.740 0 50 FFAA O=C1C[C@H](Cc2ccc(C(=O)N3CCC(C4CCCC4)CC3)cc2)C(=O)N1 363574648 IREIEJWVWFZYGZ-IBGZPJMESA-N 368.477 2.934 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 377341114 BNAXPOAHALYOSR-SFHVURJKSA-N 367.417 2.581 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@@H]2CCCc3occc32)[C@H]1c1nccn1C 952852876 NHHNDJPIPXVPJD-OGWOLHLISA-N 356.470 2.980 0 50 FFAA CC(F)(F)c1cccc(CNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)n1 1875299893 ZHIKUPRTGMDGKX-FQEVSTJZSA-N 373.403 2.658 0 50 FFAA Cc1[nH]nc2c1C[C@@H](NC(=O)c1cc(Cl)c(Br)[nH]1)CC2 1875307807 LIPYTGSABCCHQN-ZETCQYMHSA-N 357.639 2.749 0 50 FFAA Cc1cc(N2CC[C@H](NC(=O)c3cc4cc(F)ccc4o3)C2)nc(C)n1 1875315225 LVHXGIQDTVJLDC-HNNXBMFYSA-N 354.385 2.987 0 50 FFAA COC(=O)c1cc(OC[C@@H]2C[N@@]2Cc2cnn(C)c2)c2ccccc2c1 1875385247 PHMLNELPXRBRRK-GAJHUEQPSA-N 351.406 2.623 0 50 FFAA NC[C@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc23)C2(CCC2)C1 1875306075 RRTGIQFCOPUOLB-LBPRGKRZSA-N 365.886 2.780 0 50 FFAA C[C@H]1C[C@H]1c1nnc2ccc(=NCc3cc(C(F)(F)F)sn3)[nH]n12 2325796403 NTSJQUZOBKMOKE-IONNQARKSA-N 354.361 2.757 0 50 FFAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)Nc1cnn2cccnc12 2325810180 CHQQVQSMCCUMSY-OAHLLOKOSA-N 353.382 2.931 0 50 FFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Br 625945 QFRLGWXIUVRGQK-OAHLLOKOSA-N 362.223 2.963 0 50 FFAA CCOc1ccc(Br)cc1[C@H]1NC(=O)NC(C)=C1C(=O)OC 1168986 WMFRHYUZEJXKNJ-CYBMUJFWSA-N 369.215 2.649 0 50 FFAA CCN1C(=O)N[C@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)OC)=C1C 2773328 VCRRUCFDNVNOMU-CYBMUJFWSA-N 354.790 2.587 0 50 FFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N[C@H]1CC[C@@H](C(=O)O)CC1 2356164993 OPSCRVNKYACYSK-GASCZTMLSA-N 368.433 2.994 0 50 FFAA CSc1nsc(SCC(=O)Oc2ccc(NC(C)=O)cc2)n1 4195861 WYXLBPTZZJUUSF-UHFFFAOYSA-N 355.466 2.916 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1 6697950 BXGKWMKWIHQECK-UHFFFAOYSA-N 358.369 2.701 0 50 FFAA CNC(=O)[C@@]1(C)CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 225489522 DCDIZAYHVKSMRT-IBGZPJMESA-N 356.401 2.563 0 50 FFAA O=c1[nH]c(CN2CCO[C@H](c3nccs3)C2)nc2ccc(Cl)cc12 225542389 SVFBUOFFVVVNIU-ZDUSSCGKSA-N 362.842 2.607 0 50 FFAA CC1(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)COC1 112693465 YJQDNTDGUJQTEJ-UHFFFAOYSA-N 350.216 2.606 0 50 FFAA CCC[C@@H](CC(=O)OCC)NC(=O)CC(=O)Nc1ccccc1OCC 55281789 GQKQZPSYNARVCW-AWEZNQCLSA-N 364.442 2.652 0 50 FFAA C[C@@H](Cn1cc(Br)cn1)NCC[C@H]1C(=O)Nc2ccccc21 133981802 CMHAWNIPIBWTDA-SMDDNHRTSA-N 363.259 2.750 0 50 FFAA CC(C)=CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO 104437844 DOWJSGSOMJYOCJ-HXUWFJFHSA-N 354.498 2.912 0 50 FFAA O=C(NCCCSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 53522541 DHUKNTPFHMQCLE-UHFFFAOYSA-N 373.478 2.929 0 50 FFAA Cc1csc(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 67920774 NVWMGOBHUSQZJV-FQEVSTJZSA-N 373.522 2.527 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1 67587198 SFMPMCBHOCYMKD-OAHLLOKOSA-N 358.442 2.513 0 50 FFAA CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(OC3CCCC3)c1)CC2 114873266 OZDHMVIFQXVEPJ-OAHLLOKOSA-N 354.454 2.907 0 50 FFAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccccc1OCCO 65396305 AINBCAFURVNRFO-UHFFFAOYSA-N 365.433 2.724 0 50 FFAA Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nc1 252508320 XJZXXBHKUOHNML-UHFFFAOYSA-N 368.437 2.526 0 50 FFAA CC1=NN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)[C@@](O)(C(F)(F)F)C1 653412 YMFREOZEWZRHIZ-HNNXBMFYSA-N 370.331 2.614 0 50 FFAA Cc1c(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cnn1C 2564229 LXHWKFVCAFOXDZ-UHFFFAOYSA-N 355.345 2.705 0 50 FFAA O=C(NCc1ccco1)C1CCN(C(=O)c2cnc3c(c2)CCCC3)CC1 216314253 GZVCJYGZLGKICY-UHFFFAOYSA-N 367.449 2.722 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)C[C@H]2CN(C(C)C)CCO2)CC1 77504455 DQQAINSDNZREPL-IBGZPJMESA-N 360.498 2.864 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)c1 12478361 VFENEHUNINHEJR-OAQYLSRUSA-N 366.465 2.614 0 50 FFAA O=C(NCCc1ccc(Cl)nc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 151166493 XSAUNODUMBBFAN-KRWDZBQOSA-N 371.868 2.627 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4ncccc4F)C3)CCC2=O)cn1 77407909 XDBVHNRBQWKUQZ-HXUWFJFHSA-N 369.444 2.728 0 50 FFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)on1 33270431 PVSCZAUMJOWFDH-LBPRGKRZSA-N 364.452 2.768 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cnccn2)CCCN1Cc1ccc(F)cc1 71575540 ULPWGXMGJCWRTP-LJQANCHMSA-N 356.445 2.988 0 50 FFAA C[S@@](=O)C[C@@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1ccccc1 130074079 IUSYBLXNUNBFGH-QUGAMOGWSA-N 369.450 2.509 0 50 FFAA O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@H](F)C[C@H]1CO 364629034 JSHBGRLHNHYYAX-ZJUUUORDSA-N 355.316 2.773 0 50 FFAA CCC(CC)NC(=O)[C@@H](C)N1CCCN(Cc2nccn2C(C)C)CC1 370786986 FLRJPBDOFMWDJE-QGZVFWFLSA-N 363.550 2.665 0 50 FFAA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Cc1cnc2ccccc2c1 376257020 HRXNRHUJGCJHOV-IBGZPJMESA-N 364.449 2.728 0 50 FFAA Cc1nnc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c2ccccc12 77425100 QLIBRSZAXUHBKE-HNNXBMFYSA-N 365.485 2.512 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)c(OC)c1 72447880 LEGOJCLQRDTWPA-FQEVSTJZSA-N 367.445 2.795 0 50 FFAA COCc1nc(C)c(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)s1 262904472 GNENRSZNQXUZAU-UHFFFAOYSA-N 370.814 2.967 0 50 FFAA COCc1nc([C@@H]2COCCN2C(=O)CC/C=C/c2ccccc2)no1 378606309 LLZLXGVQWROTEY-RDTXFTJFSA-N 357.410 2.610 0 50 FFAA O=C1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2O3)c2cc(Br)ccc2N1 333869400 OXVGGIRMPWPABP-DRCTWCGVSA-N 365.227 2.692 0 50 FFAA Cc1cc(=O)c(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)c(C)[nH]1 72121658 MKILQMRHDDKQSQ-LJQANCHMSA-N 367.493 2.771 0 50 FFAA COc1ccc(N2CCN(Cc3c(C)nc4ccccn34)[C@H](C)C2=O)cc1 72170069 DGFPOTKPHRZGNV-MRXNPFEDSA-N 364.449 2.889 0 50 FFAA COC(=O)c1ccc(N2CCN(C(=O)CCc3scnc3C)CC2)cc1 77302380 REDIWUUYAAQXJO-UHFFFAOYSA-N 373.478 2.520 0 50 FFAA CC(=O)Nc1cccc(NC(=O)CN2CCC[C@@H](c3ccncc3)C2)c1 242048152 VTHVWCQVBYPRAD-QGZVFWFLSA-N 352.438 2.858 0 50 FFAA O=C(NCc1cc(F)cc(F)c1)N1CCC(N2CCSCC2)CC1 426563060 PMMHJUSKMSGOFT-UHFFFAOYSA-N 355.454 2.688 0 50 FFAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@@H](Cn2ccnc2)C1 426487490 QICIYJAAHOYCMW-INIZCTEOSA-N 369.469 2.837 0 50 FFAA Cc1nc([C@H](C)NC(=O)N(CCC(N)=O)CCc2ccccc2)cs1 426507833 FLPNGNBMVAHTOR-ZDUSSCGKSA-N 360.483 2.642 0 50 FFAA CCOc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)cc1-n1cccc1 96133004 ZYLUFLZGOFBXEP-ZBFHGGJFSA-N 368.437 2.618 0 50 FFAA Cc1ccc2nc(C(=O)N3CCCC[C@@H]3CCN3CCCC3=O)c(F)n2c1 95381274 ZGFWMPZHTUUISW-OAHLLOKOSA-N 372.444 2.789 0 50 FFAA COC(=O)[C@H](C)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95382631 PJAOBUDVHBAFJU-NADMHLTPSA-N 356.466 2.576 0 50 FFAA Cc1ccc(C(=O)NCc2cc3ccc(F)cc3nc2O)cc1OCCN 426685485 YMFYOQZAZFOVQK-UHFFFAOYSA-N 369.396 2.655 0 50 FFAA O=C(C1CC1)N1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 91585875 KCGOOAYETQMAQZ-UHFFFAOYSA-N 373.472 2.513 0 50 FFAA CN(C)[C@H]1CCN(Cc2ccc3cccc(F)c3n2)C[C@H]1CCC(=O)O 91966566 CQQNSYATKTZJKZ-QAPCUYQASA-N 359.445 2.991 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(=O)[nH]c2ccccc12 91602863 TXSBFXITOMDCHM-UHFFFAOYSA-N 350.353 2.816 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)C1CCN(C(=O)C2CCC2)CC1 91656981 YHGCCPCTMXZPIS-LJQANCHMSA-N 358.482 2.607 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N1CCOc2ccc(Cl)cc2C1 95505717 AHFMEQFKRZLHOU-UHFFFAOYSA-N 362.857 2.854 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CCSC)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95379764 IAOQZGLSLIHTQS-DFQSSKMNSA-N 360.523 2.837 0 50 FFAA O=C(c1cc2ccccc2s1)N1CCC(Cn2cc(CCO)nn2)CC1 23369183 ZXHWZFHGFAVTCP-UHFFFAOYSA-N 370.478 2.580 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1c[nH]nc1-c1cccc(F)c1 91526874 HAAFXOPWOXNCDY-UHFFFAOYSA-N 364.384 2.621 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95529857 KNWVEBXTUVTYTO-KRWDZBQOSA-N 358.461 2.994 0 50 FFAA O[C@H](COc1ccccc1CN1CCC(F)CC1)CN1CCCCC1 95523419 DGBMAVOQJQEPQI-IBGZPJMESA-N 350.478 2.846 0 50 FFAA Cc1nc(CC2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)no1 244564006 CLBDIVLWQJYNKJ-AWEZNQCLSA-N 354.454 2.610 0 50 FFAA O=C(CCN1CCC(O)(c2ccc(F)cc2)CC1)NCc1cccs1 243893137 AOGBJYJUJODYTL-UHFFFAOYSA-N 362.470 2.877 0 50 FFAA CN(Cc1ccsc1)Cc1cc2n(n1)CCCN(C[C@H]1CCCO1)C2 248139558 SXQDDXXTMSFQGE-LJQANCHMSA-N 360.527 2.961 0 50 FFAA COCc1noc([C@H](C)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 181511920 AXDSDRFDMGVELV-ZDUSSCGKSA-N 350.850 2.748 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 299753362 XZGWVBRMUXGQIH-AEGPPILISA-N 353.365 2.551 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)NCC1(Cn2cccn2)CC1 534590143 SUUIDUQULGIKHW-UHFFFAOYSA-N 366.425 2.555 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)Nc3ccc4[nH]nnc4c3)C2)c1OC 299791810 DBSYWTRIMJSDBY-GFCCVEGCSA-N 367.409 2.997 0 50 FFAA Nc1nc(CCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)cs1 827647357 FIJKRHAXAVNYTL-MRXNPFEDSA-N 362.474 2.750 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NCc1ccc(C(N)=O)cc1 952870053 QXXSTKYGJAIGNE-UHFFFAOYSA-N 359.813 2.717 0 50 FFAA Cc1cc(=O)c(C(=O)N(CCO)CCSc2ccc(Cl)cc2)c[nH]1 952968776 DECXLDGXNJACDW-UHFFFAOYSA-N 366.870 2.564 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)cc1F 269414487 GYGIAVOAPXJDQS-MRXNPFEDSA-N 373.428 2.764 0 50 FFAA O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(C(F)(F)F)ccn1 170593485 ZUZCFCQQRBFSMM-UHFFFAOYSA-N 362.311 2.908 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2cccc(F)c2F)o1 275326425 JQMMNUXKGCQIJH-ZDUSSCGKSA-N 351.353 2.614 0 50 FFAA CN(C)c1nccc([C@H]2CN(C(=O)c3coc4ccccc34)CCO2)n1 276697996 OYFXLRYPVMNTPS-QGZVFWFLSA-N 352.394 2.503 0 50 FFAA Cc1ccc(C[C@H](C)NC(=O)CN2C(=O)CCOc3ccccc32)s1 737646241 IJPDADJCGDUNIR-ZDUSSCGKSA-N 358.463 2.919 0 50 FFAA COc1ccc2cc(NC(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)ccc2n1 190171312 AIXFNTYTLPLEGH-AWEZNQCLSA-N 372.469 2.552 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)[C@H]1CCc2ccccc2NC1=O 192123474 CSLCHOQHXQMOOO-AWEZNQCLSA-N 352.360 2.824 0 50 FFAA CCCc1noc(CCCC(=O)N2CCc3cccc(OC)c3CC2)n1 192598960 MSARLUGXDPGLIA-UHFFFAOYSA-N 357.454 2.981 0 50 FFAA O=C(c1ccn(CC(F)F)n1)N1CCC[C@@H]1Cn1cnc2ccccc21 790003113 UZTJSVZJFFSJDJ-CYBMUJFWSA-N 359.380 2.803 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616068699 MXVLBEBVTQVZLT-YOEHRIQHSA-N 365.389 2.538 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1CCO 1506428947 RJSAUGWSMXHZTM-CYBMUJFWSA-N 361.891 2.973 0 50 FFAA O=C(c1ccccc1Cl)N1CCCN(C(=O)[C@H]2CC[C@H](O)CC2)CC1 1529191873 HOKLNLJNHQAKJH-SHTZXODSSA-N 364.873 2.566 0 50 FFAA Nc1ccc(O)cc1C(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 1529180926 MWQNENSZAFMYJO-KRWDZBQOSA-N 356.422 2.675 0 50 FFAA COc1ccccc1Cc1nc(Cn2nc(C)cc2C)n([C@H]2CCOC2)n1 1772815955 AMXBXVXMUZFASN-KRWDZBQOSA-N 367.453 2.701 0 50 FFAA Cc1ccc(NC(=O)N2CCCN(C(=O)[C@@H]3CCOC3)CC2)cc1Cl 1775980700 HRCPMRNXOCNRRE-CQSZACIVSA-N 365.861 2.751 0 50 FFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)c1 11692965 KAJZWFRODRDHLQ-UHFFFAOYSA-N 355.785 2.958 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)C1 12209854 RCWSTUFNIUATSY-HNNXBMFYSA-N 367.453 2.615 0 50 FFAA O=Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc1 12471432 XJGAZMPCOLRKEW-INIZCTEOSA-N 368.408 2.920 0 50 FFAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 14742306 IKFRTTJFAUANHX-UHFFFAOYSA-N 369.387 2.954 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccccc4F)CC3)n[nH]c21 1857529043 FEXSTRGSDMPQLG-OLZOCXBDSA-N 358.417 2.533 0 50 FFAA CC=CCOc1cccc(CC(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 1857532937 QCNSGPBQZUNRER-MSOLQXFVSA-N 355.438 2.896 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4CCOC[C@]4(CO)C3)s2)c1 1857669037 KSGALCFMUAXGQW-HNAYVOBHSA-N 360.479 2.650 0 50 FFAA Cc1c(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)nc2ccccn12 1857696945 GBUIIIZEUSPDRY-LJQANCHMSA-N 358.405 2.549 0 50 FFAA Brc1cccc([C@H]2CCCN2Cc2nnc3n2CCOC3)c1 225493418 XENARHSPBHLOEJ-CQSZACIVSA-N 363.259 2.908 0 50 FFAA CCCNc1ncc(CN2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)cn1 247967778 CFKUKJZRRJABBK-SJORKVTESA-N 358.417 2.738 0 50 FFAA COc1ncc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cn1 789314231 QELPVQXFAMXTPH-GFCCVEGCSA-N 367.236 2.801 0 50 FFAA Cn1cnnc1SCC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 817482214 KDLINDGKMLZALJ-NSHDSACASA-N 356.373 2.990 0 50 FFAA CC[C@@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)CCO1 929868674 SQEJAAYOYDLWST-GFCCVEGCSA-N 352.232 2.587 0 50 FFAA Cn1cc([C@@H]2[C@@H](CNC(=O)C3CC(C)(C)C3)CC(=O)N2C(C)(C)C)cn1 855081417 UKZHNQMRFBSINE-DYVFJYSZSA-N 360.502 2.661 0 50 FFAA Cc1cccc(C)c1N(C[C@@H](C)N(C)C)S(=O)(=O)c1cncc(F)c1 864096880 QTCKASUNDGUEGH-OAHLLOKOSA-N 365.474 2.983 0 50 FFAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)O1 952888175 GACZWQZAYZKQPK-RBUKOAKNSA-N 356.466 2.839 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CC4(C3)CC4(F)F)nn2C)cc1OC 1875271733 FCYWUFLJLDLGBZ-UHFFFAOYSA-N 363.364 2.586 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCOc3c(cccc3OC)C2)c1 1875372177 YOJXCBFIHWBZFT-UHFFFAOYSA-N 352.390 2.855 0 50 FFAA CC(C)c1cc(N2C[C@@H](C)C[C@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875330341 OFLGGVFZIDVCPC-RYUDHWBXSA-N 373.423 2.559 0 50 FFAA C=CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875385894 DVUMGBDKQJBWTE-QWHCGFSZSA-N 354.372 2.847 0 50 FFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C2(N)CC2)c1 1875304342 HUKQRRZXWNOUAP-QGZVFWFLSA-N 353.422 2.540 0 50 FFAA CNC(=O)C[C@@H]1CN(Cc2ccccc2-c2ccccc2Cl)C[C@H]1O 1875398452 QSYYTUBJJWGWPB-DNVCBOLYSA-N 358.869 2.936 0 50 FFAA Cc1cc(N2C[C@H]3[C@H](NC(=O)c4cc5cc(F)ccc5o4)[C@H]3C2)nc(C)n1 1875315399 SRSRQKXJWASVBF-QWHZDKJVSA-N 366.396 2.843 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3C[C@@H](Nc4nc5ccc(F)cc5o4)[C@H]3C2)o1 1875332478 UGFUTGRQXWKMTN-VHRBIJSZSA-N 356.357 2.836 0 50 FFAA CCN1C(=O)C[C@@H](CNCc2cccc3[nH]ccc23)[C@@H]1c1nccn1C 886048312 AHJRKQYIFCTVMU-HNAYVOBHSA-N 351.454 2.601 0 50 FFAA CC(=O)N1C[C@@H](NCc2cn3cc(C)ccc3n2)CC[C@H]1C(F)(F)F 886038331 YGTYZWGHGSDFDV-ZFWWWQNUSA-N 354.376 2.674 0 50 FFAA O[C@@H](COCc1ccccc1F)CN1CCN(Cc2ccccc2)CC1 19794766 DBHYZRNXCBBLGE-HXUWFJFHSA-N 358.457 2.521 0 50 FFAA CCCCc1oc2ccccc2c1C(=O)N(C)CC(=O)N1CCN(C)CC1 2325725715 HJKRTWHITRHIIN-UHFFFAOYSA-N 371.481 2.621 0 50 FFAA Cc1cccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(C(F)F)cc3)NC2=O)c1 2325792357 WOSCPNBRQIAULO-IRXDYDNUSA-N 358.388 2.701 0 50 FFAA COc1ccc([C@](C)(NC(=O)c2c(C)nn3c2CCC[C@@H]3C)C(=O)O)cc1 2325798960 LKNXWYIOIBIQFP-YUNKPMOVSA-N 371.437 2.827 0 50 FFAA CN(CCCOc1ccc(Br)cc1)C(=O)[C@@H](F)C1CC(N)C1 2325809237 UAAFDDYIRWAYMT-HGMXIMQMSA-N 373.266 2.752 0 50 FFAA CCCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2C1=O 1061414 RNEBLYODRKGJRB-UHFFFAOYSA-N 352.346 2.674 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 1088056 NCZDSPPYFOBSHF-UHFFFAOYSA-N 369.240 2.657 0 50 FFAA Cc1c(NC(=O)c2csc3ccccc23)c(C)n(C)c(=O)c1C(N)=O 2356135420 DGJZYQNMIPIMFH-UHFFFAOYSA-N 355.419 2.568 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(C)ccc2F)C1=O 2356152715 XQEFZTCGFFLKJD-SFHVURJKSA-N 368.474 2.690 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 2808339 JZTMKWZSWJLPMC-SJORKVTESA-N 364.873 2.875 0 50 FFAA O=C1N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 4144322 UOIWGJQFFMKHKC-CPUCHLNUSA-N 364.323 2.791 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OC)c2)cc1 4866252 LLJDXBPUWMLFGJ-UHFFFAOYSA-N 362.451 2.565 0 50 FFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 4988731 AZLBRTRMNIZCNH-GFOMBABLSA-N 362.477 2.995 0 50 FFAA CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccn3)CC2)nc1=S 6574363 RVGSSANHXPWNEH-UHFFFAOYSA-N 357.483 2.865 0 50 FFAA Nc1nnc(S[C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)s1 100622078 LXOLOTHZSBNZFS-LBPRGKRZSA-N 356.432 2.698 0 50 FFAA O=C(C[C@H]1OCCc2ccccc21)Nc1cccc(-c2noc(=O)[nH]2)c1 115056757 VDRLZWUMJHOOIS-MRXNPFEDSA-N 351.362 2.673 0 50 FFAA O=C(c1cc(C2CC2)on1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 115410484 QRAWRASWAVZYFD-UHFFFAOYSA-N 352.394 2.672 0 50 FFAA COc1cccc(N2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)c1 55062764 JWJYKSBMEAUFCE-UHFFFAOYSA-N 360.845 2.504 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 67612850 WDFXBCPVSCXMKC-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)c(C)c1 65362692 UEELHAZHMXVYAG-KRWDZBQOSA-N 352.500 2.542 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CC[C@]3(CCCN(C)C3=O)C1)c(C)n2C 67514088 RGFQLVCJEHWGDR-OAQYLSRUSA-N 369.465 2.580 0 50 FFAA O=C(C(=O)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1)c1cccnc1 67755934 MMCUIQGVQXCLCG-SFHVURJKSA-N 374.444 2.984 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(C)n1 67601918 NAMSNXWMVGHDRM-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA CC(C)[C@H](O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67758022 HIHWBQMTQHPLED-IBGZPJMESA-N 368.412 2.911 0 50 FFAA FC(F)(F)CCc1ccnc(NCc2csc(N3CCOCC3)n2)n1 71746994 HOGYTTZZGIHYSP-UHFFFAOYSA-N 373.404 2.877 0 50 FFAA O=C1NCCN(CCc2ccccc2)[C@H]1CC(=O)N1CCCCCCCC1 72121953 FAXILYWJZLNSNU-FQEVSTJZSA-N 371.525 2.602 0 50 FFAA Cn1cccc(C(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)c1=O 215711597 KREWRPMOCDRJNA-YPHWWSSASA-N 352.434 2.720 0 50 FFAA CCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(Cc2cc(C)on2)c1=O 328623242 BTJDPJDGNAFWLJ-IRXDYDNUSA-N 354.410 2.655 0 50 FFAA CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccn(C)n1 478628255 LQEGGVSFOOQVKP-UHFFFAOYSA-N 360.215 2.849 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)Cc1ccc(Sc2nncn2C)o1 216314060 JBPBCALZIDTJLQ-UHFFFAOYSA-N 360.487 2.964 0 50 FFAA CCn1nccc1C(=O)N(CCc1ccc(OC)cc1)C[C@@H]1CCCO1 216419384 SUPPCWDWWPWNBF-SFHVURJKSA-N 357.454 2.776 0 50 FFAA CC(C)NC(=O)CSc1ccccc1C(=O)N1CCC[C@H]([C@H](C)N)C1 156195827 IAZNXPSJOXHJJH-GJZGRUSLSA-N 363.527 2.503 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCC3(Cn4cccn4)CC3)nc2c1 219831603 HJSYWYKSHYRUAH-UHFFFAOYSA-N 355.467 2.757 0 50 FFAA C/C=C/CC(=O)N1CCc2nc(COCC)nc(N3CCCC3)c2CC1 72410947 BOZCSWCKXFLHRC-HWKANZROSA-N 358.486 2.507 0 50 FFAA Cc1cc(NC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cn2ccnc12 333676091 OMZCIFYFXIHQQD-MSOLQXFVSA-N 371.485 2.532 0 50 FFAA CO[C@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)C)n1 241160501 JXTVLDNIHPLYAZ-CYBMUJFWSA-N 371.445 2.723 0 50 FFAA Cc1cccc(CN2CCN(C(=O)Cc3cccc(F)c3F)CC2=O)c1 77390473 WERYSWZJPSPCJM-UHFFFAOYSA-N 358.388 2.687 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc4nsnc4c3)CC2=O)c1 72165704 ZBDAFGHXYAAMSI-UHFFFAOYSA-N 368.462 2.544 0 50 FFAA CCNc1nc(C)c(C(=O)N(C)Cc2nc(-c3ccncc3)no2)s1 77425916 FQTAFAZBUDGTBM-UHFFFAOYSA-N 358.427 2.601 0 50 FFAA Cc1ccc(-c2ocnc2C(=O)N(C)CCN(C)C2CCN(C)CC2)cc1 173718004 ZPBSQPCJENJVLO-UHFFFAOYSA-N 370.497 2.748 0 50 FFAA CC(C)c1cc(C(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)on1 220199552 JQJRGFVVKKBFFN-IBGZPJMESA-N 366.421 2.732 0 50 FFAA CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)C1CCOCC1 82127952 PUGQFCRPQZHUPY-QGZVFWFLSA-N 374.481 2.856 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC2CCC3(CCNCC3)CC2)cn1 222435726 ZJSJWZFQJGROMD-UXHICEINSA-N 359.514 2.828 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 82161226 MOCMJWKVCYSRCJ-QGZVFWFLSA-N 363.417 2.831 0 50 FFAA O=C(NCCc1nc(Cc2ccccc2)no1)C1(N2CCCC2)CCCC1 222311245 RKINSKSVGKLKCO-UHFFFAOYSA-N 368.481 2.728 0 50 FFAA Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CC[C@@H](C(=O)O)C1 178267902 DLNIBFNUYGHJBE-SBDDDAINSA-N 359.813 2.780 0 50 FFAA Cc1noc(C)c1CCCNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1 223917969 NITHEXLNSVOESW-AWEZNQCLSA-N 359.401 2.532 0 50 FFAA Cc1cc(C(=O)N[C@H](C)c2n[nH]c(CC(=O)O)n2)sc1-c1ccccc1 426622896 GCWPSMMPYTUHBJ-LLVKDONJSA-N 370.434 2.960 0 50 FFAA CCCn1cc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)c(C)n1 91952377 AEAUYUUQIMDHLC-AWEZNQCLSA-N 360.483 2.698 0 50 FFAA O=C(c1ccc2[nH]c(CO)nc2c1)N1CCC(c2cccc(O)c2)CC1 97797315 XLOSYQZHINPYGK-UHFFFAOYSA-N 351.406 2.781 0 50 FFAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cc(O)n[nH]2)cc1C 91986950 OMUNRJUMSYQOAQ-HNNXBMFYSA-N 351.410 2.725 0 50 FFAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1sc2cccc(F)c2c1Cl 91327135 RTOPRDFXNFRJNT-MRVPVSSYSA-N 361.847 2.858 0 50 FFAA Cc1ccc2nc(C(=O)NCCc3nc(Cc4ccccc4)no3)cn2c1 91574553 WUWNVFFDVHLXDH-UHFFFAOYSA-N 361.405 2.589 0 50 FFAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCOC[C@H](CO)C1 95519303 VSHHINXHHHMNTD-AWEZNQCLSA-N 366.421 2.703 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nncn1C1CCCC1 91494040 QKOGSUMPVXPRCV-CQSZACIVSA-N 373.501 2.609 0 50 FFAA Cc1cnc2c(C(=O)N(C)Cc3cc(-c4cccs4)n[nH]3)cnn2c1 97578506 GKWLZWUKGMWLGV-UHFFFAOYSA-N 352.423 2.762 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCc3c(F)ccc(F)c3C2)[nH]n1 267761471 QXQRMHSYRQVFJO-UHFFFAOYSA-N 371.391 2.904 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(CCc1ccccc1)C2)NC1CC1 91416834 DQPMTKKCKBEESS-UHFFFAOYSA-N 352.482 2.543 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCN([C@@H]3CCNC3)CC2)cc1 244723657 MFFSUHQLDNMQAS-OAQYLSRUSA-N 363.505 2.706 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC[C@@H](Cn2ccnn2)C1 183829086 XAKCAYQZJFRFQR-PBHICJAKSA-N 373.432 2.753 0 50 FFAA COc1cc2nccc(N3CCC[C@@H](c4nncn4C)C3)c2cc1OC 298257372 NXGWNFZJQNPWGA-CYBMUJFWSA-N 353.426 2.765 0 50 FFAA COc1ccc(CNC(=O)C[C@H]2CCOc3ccccc32)cc1C(=O)O 299750377 NHOPNVPRJXDQIX-CQSZACIVSA-N 355.390 2.966 0 50 FFAA CC(C)c1ccc(-c2ccc(C(=O)N3CCNC(=O)[C@H]3C(C)C)cc2)nn1 534644122 ASJKFCRQGSQZTO-LJQANCHMSA-N 366.465 2.864 0 50 FFAA C[C@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3c[nH]nc3c2)c1 534673051 NVGJXOGYZXWFLX-OAHLLOKOSA-N 364.449 2.680 0 50 FFAA CCCN1C[C@@H](NC(=O)N(C)CCn2c(C)cc3ccccc32)CC1=O 534580352 ZEFADINXHXMRMZ-KRWDZBQOSA-N 356.470 2.602 0 50 FFAA Cc1cc(=O)cc(C(=O)NC2CCN(Cc3ccccc3Cl)CC2)n1C 299756969 JEQWNJJSOZMKJG-UHFFFAOYSA-N 373.884 2.742 0 50 FFAA Cc1nc(CCN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299792139 DQUPMBVOAJEKQP-KSZLIROESA-N 354.454 2.605 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccccc1OCCc1ccccc1 1565510716 GGVJRVCDEMLSGA-ICSRJNTNSA-N 355.434 2.842 0 50 FFAA COc1c(S(=O)(=O)N(C)Cc2c[nH]nc2C)ccc(Cl)c1Cl 952860834 UBYJYBIMDXDDSS-UHFFFAOYSA-N 364.254 2.854 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)sc1C 408296808 GGAWDOZHHHSRRR-FUNVUKJBSA-N 355.481 2.565 0 50 FFAA CN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C1(C(N)=O)CCCC1 170607504 DCGMEWKIPXOFMR-UHFFFAOYSA-N 353.507 2.754 0 50 FFAA Cc1ncccc1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1 170987422 MBLWDDSHTVXDGT-UHFFFAOYSA-N 352.463 2.958 0 50 FFAA CC(=O)N1CCc2c(NS(=O)(=O)c3ccc(F)cc3F)cccc21 768887153 QJYNALKCUAUKPN-UHFFFAOYSA-N 352.362 2.675 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)[C@@H](C)c2nnc(O)c3ccccc23)no1 1506402329 QFTBPUBTPYKTSW-LBPRGKRZSA-N 369.425 2.679 0 50 FFAA COc1cccc(OCc2nc(C(=O)NCc3ccncc3C)co2)c1 12304391 QEDLBLGZYMQDKN-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1cscn1 12430015 SQJZBVORRLPXDI-INIZCTEOSA-N 367.434 2.572 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCC1=CCCCC1 13583165 ZOYWKKYFXGDAQS-UHFFFAOYSA-N 350.484 2.866 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3cccc(C)n3)nc2)C1 19225840 LPZJSBURANZELJ-QGZVFWFLSA-N 368.481 2.938 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 19911772 PAZYWEMNYKGAEZ-AWEZNQCLSA-N 361.492 2.820 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1nc(-c2ccccn2)nn1[C@H]1CCOC1 1857671168 ACJOQJFPASGNOX-JTQLQIEISA-N 364.331 2.721 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)CCc3cccc(Cl)c3)CCN12 1857726074 VUSRBRBOIUIJEX-ZWKOTPCHSA-N 350.890 2.984 0 50 FFAA CCOc1ccncc1S(=O)(=O)N(C)[C@@H]1C[C@H](OCC)C12CCCC2 253428386 JKNQCFAPYCIMDW-SJORKVTESA-N 368.499 2.839 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCCCN1Cc1cccnc1 1875254720 FFQNWDBWQZXWFD-KBXCAEBGSA-N 355.486 2.664 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1875373830 QAGKDKRFOCCSMB-HNNXBMFYSA-N 372.371 2.847 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)CC1 1875365775 YFJIKVQMPFDYAG-APWZRJJASA-N 356.466 2.708 0 50 FFAA O=C(N=[S@]1(=O)CCC[C@@]2(CCCN2)C1)c1cnn(C2CCCC2)c1 1875393039 DMUGAJHTIPYGRX-XDHUDOTRSA-N 350.488 2.522 0 50 FFAA CC(C)NC(=O)Cc1ccc(NC(=O)N2CCO[C@@](C)(C3CC3)C2)cc1 888101913 KIATZVYWRVZRPZ-HXUWFJFHSA-N 359.470 2.787 0 50 FFAA COC(=O)c1ccccc1[C@H]1C[C@H](NC(=O)c2cnc3ccnn3c2C)C1 2325791280 KEQVJESAKLRDRE-HDJSIYSDSA-N 364.405 2.500 0 50 FFAA CC[C@@H](SC)C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccco2)C1 2325794139 RPGJNXQTVFOSLF-RZLSGREXSA-N 352.500 2.926 0 50 FFAA Cn1nc(C(=O)N[C@@H](C(=O)O)c2ccccc2Cl)c2cc(F)ccc21 2325866004 XMTVVLOEFGFZCB-OAHLLOKOSA-N 361.760 2.922 0 50 FFAA CC(C)[C@@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2ncon2)cc1 2325867958 JZOBXEZOCSWIIX-ZIAGYGMSSA-N 358.442 2.511 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)C1 2325889501 UGFQTWXQYJZAHZ-MRXNPFEDSA-N 372.465 2.619 0 50 FFAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCc2cccnc2)c1 837393 RPVXKBFDFCOLQP-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA Cc1cc(C)c(OC[C@H](O)CN2CCN(c3ccccn3)CC2)c(C)c1 1015821 QQMLTOBYDYBFJL-LJQANCHMSA-N 355.482 2.569 0 50 FFAA O=C1CCC(=O)N1c1ccc(Oc2ccc(N3C(=O)CCC3=O)cc2)cc1 1233569 QOVMIFXSDQEXOE-UHFFFAOYSA-N 364.357 2.786 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(C(N)=O)cc2)n1 2438747 HXCZDGRRHVCWAS-UHFFFAOYSA-N 350.378 2.715 0 50 FFAA Cc1ccc(-n2nc(CO)c(C(=O)N[C@@H](C)c3ccccc3)n2)cc1C 8613619 NCCKHBNPIASDFV-HNNXBMFYSA-N 350.422 2.867 0 50 FFAA CCc1cccc(NC(=O)CCC(=O)NCCCc2csc(N)n2)c1 55154356 YLMFEOBCSIPKLQ-UHFFFAOYSA-N 360.483 2.755 0 50 FFAA NC(=O)N1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 225418155 KAOMYLHEJVBMDG-UHFFFAOYSA-N 369.387 2.786 0 50 FFAA COc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1 52537710 BBJOTKJDYLZBNN-UHFFFAOYSA-N 373.428 2.604 0 50 FFAA C=CC[C@@]12C[C@@H](OC1=O)[C@@H]1[C@H](CC=C3CC4(CC[C@]31C)OCCO4)C2=O 100819416 HPJIPJBUJISTCO-RQQUZUBOSA-N 358.434 2.943 0 50 FFAA CN(C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccccc1 20456734 JVJPNRSKEPYCGJ-UHFFFAOYSA-N 358.463 2.889 0 50 FFAA CCCc1nc(C)c(Cn2cnc3sc4c(c3c2=O)CCNC4)s1 65410702 JRBRJNISYBMWTE-UHFFFAOYSA-N 360.508 2.869 0 50 FFAA COc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 65363497 VYMNLQGQDNSHHP-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA Cc1nc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)cs1 65435739 SAHOPHISDMYLGS-UHFFFAOYSA-N 363.458 2.818 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CCC[C@H]2C(C)C)CC1 140578039 MWICXRSUCOOPAY-FQEVSTJZSA-N 371.525 2.836 0 50 FFAA O=C(N[C@H]1CCCNC1=O)c1csc2nc(-c3ccccc3Cl)cn12 67446984 UBZWKQFWWPFQMW-LBPRGKRZSA-N 374.853 2.725 0 50 FFAA CCC(CC)C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 67603671 DRFYYIFIFDURAC-UHFFFAOYSA-N 354.458 2.700 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)cc2F)n1 171940801 MUHFPFZRXYBPLK-QGZVFWFLSA-N 356.445 2.939 0 50 FFAA CC(C)COC(=O)N1CCC(C(=O)NC[C@](C)(O)C2CCCCC2)CC1 252492507 MOIDAXUUEFQPET-FQEVSTJZSA-N 368.518 2.939 0 50 FFAA O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC(C(=O)N2CCCC2)CC1 77489498 QVGDVFXBYNXULR-UHFFFAOYSA-N 370.428 2.690 0 50 FFAA O=C(Nc1ccc2c(c1)CCCO2)NC1CCN(C[C@H]2CCOC2)CC1 172411907 NTFIHAGPCGTLQP-OAHLLOKOSA-N 359.470 2.634 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)o1 121931083 JEHIBGFPDBAATH-CQSZACIVSA-N 354.472 2.892 0 50 FFAA CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccsc1 215530983 ZEVLJQYQRKOFBP-UHFFFAOYSA-N 360.479 2.618 0 50 FFAA CC1(C)Cc2cc(CN3CCC(C(=O)O)(n4ccnc4)CC3)ccc2O1 72407694 OQBOWHPBYQTSCS-UHFFFAOYSA-N 355.438 2.673 0 50 FFAA O=C(Nc1cnc(C2CC2)nc1)N1CCN(c2ccncc2Cl)CC1 153953930 SRTPVKGELTZLRA-UHFFFAOYSA-N 358.833 2.757 0 50 FFAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C2CCSCC2)CC1 216311180 HPIKWPPVGDRHFQ-UHFFFAOYSA-N 370.522 2.741 0 50 FFAA COc1ccccc1-n1cc(S(=O)(=O)Nc2c(C)noc2C2CC2)cn1 126817112 BGPQBILSEAVVEI-UHFFFAOYSA-N 374.422 2.856 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)c1 158810056 YTJOBUQNEAOPQS-UHFFFAOYSA-N 361.449 2.847 0 50 FFAA Cc1ccc(F)c(CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1Cl 77436455 GRFFPVUPHALAJE-LJQANCHMSA-N 368.880 2.984 0 50 FFAA Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)CCN)cc2Cl)n1 237456173 HRDQPNJSXMKDNM-GFCCVEGCSA-N 363.849 2.640 0 50 FFAA C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CCC[C@H]1C 241911282 UBFJFYMZSWQJRX-AGIUHOORSA-N 356.488 2.911 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2ccc(Cn3cccn3)o2)CC1 82125756 HYCPBPMJLAMPHG-UHFFFAOYSA-N 364.449 2.791 0 50 FFAA Cc1cn2cc(C(=O)NCCn3nc(C(F)(F)F)cc3C)ccc2n1 82083652 KPCCOLUZWSGGGV-UHFFFAOYSA-N 351.332 2.596 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CC[C@@H](CN)C2)cc1 426387966 QJCBENPIGFLTDP-NSHDSACASA-N 367.375 2.918 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 289269066 RJNWLFWQQKEUHE-FMPTWSOUSA-N 368.399 2.917 0 50 FFAA COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1 426662061 GSFUGDLLIVNSRK-HNNXBMFYSA-N 355.390 2.668 0 50 FFAA Cc1nc2cc(C(=O)N3CCN(CCOc4ccccc4)CC3)ccc2[nH]1 82091750 VJMIYGAJAXWKRA-UHFFFAOYSA-N 364.449 2.708 0 50 FFAA CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCC(=O)c4ccccc43)cc21 178886393 SSTNOMQDOKHMSH-UHFFFAOYSA-N 370.430 2.698 0 50 FFAA COc1ccc(C2(C(=O)N3CCCC[C@@H]3CCN3CCOCC3)CC2)cc1 91779273 NIJSXKJBHAYMBL-LJQANCHMSA-N 372.509 2.830 0 50 FFAA CC(=O)c1cc(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)[nH]n1 91594590 KOUDVLUYRVDYAI-MRXNPFEDSA-N 361.405 2.877 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(Cc3ccc(OC)c(C)c3)C[C@H]21 95385084 DPHNHRFPSPJLOK-DENIHFKCSA-N 369.461 2.983 0 50 FFAA CN1CC2(CCC1=O)CCN(Cc1nnc(-c3cccc(F)c3)o1)CC2 91769152 ODMZFGFIMWZXGO-UHFFFAOYSA-N 358.417 2.710 0 50 FFAA O=C(N[C@H]1CCCNC1=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 91713662 SCWIAWYFTNJDJO-NSHDSACASA-N 369.368 2.837 0 50 FFAA CC(C)CN1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1=O 92062090 UMJANPMLMRXCPZ-UHFFFAOYSA-N 362.445 2.702 0 50 FFAA CN(C)Cc1ccc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)o1 97743626 GRENBXUZAFPRCY-SFHVURJKSA-N 356.470 2.693 0 50 FFAA CCOc1ccccc1C(=O)N1CCC2(CCC(=O)N(CCOC)C2)CC1 91427294 YIDWNESMCYIBTO-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(Cc2cccnc2)CC1 91830985 NOHRDHFTWJMSRO-UHFFFAOYSA-N 368.529 2.966 0 50 FFAA O=C(N[C@]1(C(=O)O)CCCc2ccccc21)c1cccc(-n2cccn2)c1 95392074 IVIGTYJNDHULKI-OAQYLSRUSA-N 361.401 2.919 0 50 FFAA COC[C@H](C)N(Cc1ccccc1C)C(=O)c1cccc(-n2cnnc2)n1 97505736 DKBLQEOVWFIVQP-INIZCTEOSA-N 365.437 2.648 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)ccc1Cl 245226731 JQXZJDFFNQQQHW-XOSVDHCLSA-N 357.793 2.684 0 50 FFAA CNC(=O)c1ccc(CS(=O)(=O)N[C@@H]2CCCCC23CCCC3)cc1 296553506 BZTPSZKWBVWZPP-QGZVFWFLSA-N 364.511 2.969 0 50 FFAA Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc3c(c1)OCO3)CCC2 182861472 LJZYFDKVXURAJW-CYBMUJFWSA-N 366.464 2.878 0 50 FFAA O=C(N[C@@H]1CCCOCC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183471388 WTAOWWZEMNJBJQ-GFCCVEGCSA-N 360.380 2.818 0 50 FFAA CCCN1C[C@H](NC(=O)c2ccc(-c3cnc(N)c(Cl)c3)cc2)CC1=O 534666280 GIKANZPWVWRVLT-OAHLLOKOSA-N 372.856 2.725 0 50 FFAA O=C(c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)N1CC[C@@H](O)C1 534587449 HTVNZHUPELNGGA-GOSISDBHSA-N 366.465 2.731 0 50 FFAA CN1CCC(Oc2ccccc2NC(=O)NCCCc2ncc[nH]2)CC1 299788004 QRGJFCHCVLCMEI-UHFFFAOYSA-N 357.458 2.637 0 50 FFAA Cc1nc2ccc(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)cc2nc1C 299764149 WVRLRBDEICNOKY-KRWDZBQOSA-N 371.485 2.821 0 50 FFAA COCCOc1ccccc1NC(=O)NC[C@H]1Cc2ccccc2CN1C 299789029 VCDRJZJEWPPXAB-GOSISDBHSA-N 369.465 2.890 0 50 FFAA Cc1cc(=O)oc2cc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)ccc12 299779229 DQAMBLWCMFBCRF-MRXNPFEDSA-N 373.453 2.676 0 50 FFAA Cc1nnc(CCNC(=O)N2CCCC[C@H]2CCn2ccnc2C)s1 584887197 VBUFPWJBBIVDRJ-HNNXBMFYSA-N 362.503 2.548 0 50 FFAA NS(=O)(=O)c1cc2c(s1)CCN([C@@H]1CCc3c(F)cccc31)C2 1333622103 JRMRGCLSTQVIGW-CQSZACIVSA-N 352.456 2.580 0 50 FFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N1CCN(CC(F)(F)F)CC1 952962501 FITOHMWQYJFQFJ-JKSUJKDBSA-N 361.452 2.738 0 50 FFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@H](c1ccccc1F)N(C)C 952973565 LPWDHDHPXUWCNN-IBGZPJMESA-N 372.444 2.567 0 50 FFAA CCC1(S(=O)(=O)NC(=O)c2cc(Br)c(C)s2)CC1 408499352 MMXZERBJRKQLAV-UHFFFAOYSA-N 352.275 2.821 0 50 FFAA O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@@H](N2CCCC2=O)C1 277092690 ZBKIKXXWEKJKRC-OAHLLOKOSA-N 358.442 2.632 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N)n2)cc1NC(=O)CN1CCCCC1 272288188 CRPAJVNKBWTYNN-UHFFFAOYSA-N 367.453 2.649 0 50 FFAA Cc1sc2ncnc(SCCC(=O)OCCn3cncn3)c2c1C 170620484 ANBYPBJEPSWTPJ-UHFFFAOYSA-N 363.468 2.625 0 50 FFAA Cc1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)s1 1506409653 RYFLOPPJHUOAKR-SNVBAGLBSA-N 365.480 2.977 0 50 FFAA O=C(CCc1ccc(O)cc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219037471 CXJTYJQDSCQJEG-WOJBJXKFSA-N 355.434 2.815 0 50 FFAA Cc1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c(N2CCCC2)nn1C 1529102178 ZSCFSYDGVSFARG-CQSZACIVSA-N 371.416 2.532 0 50 FFAA CN(C)C(=O)c1cccc(N[C@@H]2CCCN(Cc3ccccc3F)C2)n1 1529153202 SERVBRBSWQXYJI-MRXNPFEDSA-N 356.445 2.999 0 50 FFAA O=C(NCc1cccc(F)c1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529167030 DEFNXSCMZRJMPU-WOJBJXKFSA-N 369.440 2.793 0 50 FFAA COc1cc(-c2onc(N3CC[C@@H](C(C)(C)O)C3)c2C(=O)O)ccc1F 1704306050 UTPMHBFUAUNLBW-LLVKDONJSA-N 364.373 2.785 0 50 FFAA CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1 5388207 FDMLQIDRMGYZII-UHFFFAOYSA-N 362.389 2.507 0 50 FFAA CCNc1nc(Nc2nc(C)c(C(=O)OCC)s2)nc(NC(C)C)n1 5709048 GKKUEHGDFWZACS-UHFFFAOYSA-N 365.463 2.809 0 50 FFAA Cc1ccc(C(=O)NCc2nnc(SCc3ccccn3)n2C)s1 11909477 FVZNDWZTDPGUMK-UHFFFAOYSA-N 359.480 2.802 0 50 FFAA O=C(c1ccccn1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12057926 LDBZAUHCNUAFFB-NRFANRHFSA-N 367.424 2.876 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1OC 19567335 YKKLOTHNKHYMCR-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4cccs4)CC3)nn2)n1 169780224 OMKRLNCRRNTFAO-UHFFFAOYSA-N 372.454 2.990 0 50 FFAA CCCc1noc(-c2cccn3c(CNC(=O)c4ccccc4)nnc23)n1 169780601 FKXCRWUVINTZJZ-UHFFFAOYSA-N 362.393 2.662 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)Cc1ccccc1 1857674566 OAMNKTRXVHYAIQ-LZLYRXPVSA-N 351.468 2.713 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(Cc3cccc(C(=O)O)c3)C1)CC2 1857694776 XGMNPKRWHDPRFV-FQEVSTJZSA-N 353.422 2.669 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857710122 IRCYQFPRXMLJOH-WMZOPIPTSA-N 371.824 2.791 0 50 FFAA Cc1nccc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857710992 GCUUDQXETVUPET-OAQYLSRUSA-N 374.448 2.827 0 50 FFAA CO[C@H]1C[C@@H](C(=O)NCc2csc(-c3cccs3)n2)CC[C@@H]1N 1857724711 OFHLFOWZZBFBFN-DRZSPHRISA-N 351.497 2.630 0 50 FFAA O=C(c1ccc2c(c1)CCC2)N(Cc1cncnc1)[C@H]1CCCNCC1 328652244 WGIDDINGVVNPOK-FQEVSTJZSA-N 350.466 2.750 0 50 FFAA COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H]1COCCN1C 330619494 ZBQORTWAVSCSMD-CVEARBPZSA-N 354.878 2.883 0 50 FFAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 237426925 GBWDKMGWVWEUID-JQWIXIFHSA-N 351.299 2.882 0 50 FFAA COc1ccc(Cl)cc1CNC(=O)CN1CCOC2(CCCC2)C1 158225689 FGESPRUFWAZAAR-UHFFFAOYSA-N 352.862 2.610 0 50 FFAA O=C(O)c1ccc(CN2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 263563658 DMFQKNDWLGWZSW-UHFFFAOYSA-N 372.852 2.925 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@H]1c1ccc3c(c1)OCCO3)C2 266287130 BETGMSQATJGBSY-XSLAGTTESA-N 356.466 2.693 0 50 FFAA O=C1CN(Cc2cccc(N[C@@H]3c4ccccc4CC3(F)F)c2)CCN1 1875347880 VBQIMAHTEJQDMC-LJQANCHMSA-N 357.404 2.963 0 50 FFAA CN(c1ccccc1)c1ccnc(N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)n1 1875398876 HXCKDYQQADNGQF-KBAYOESNSA-N 364.453 2.693 0 50 FFAA CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2snc(O)c2Cl)C12CCOCC2 887200359 COEVPFBTCNYAEW-NXEZZACHSA-N 374.890 2.985 0 50 FFAA CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Br)cc1F 742466797 IJXRSHWVSSLGQC-UHFFFAOYSA-N 361.211 2.843 0 50 FFAA COc1ccc(-c2noc(C(=O)NCc3ccc(F)cc3)n2)cc1OC 1428546 GNUCISFUDFCOJC-UHFFFAOYSA-N 357.341 2.823 0 50 FFAA C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1csc(C2CC2)n1 2325734421 LMQGEKNDPNVJGP-SNVBAGLBSA-N 362.480 2.693 0 50 FFAA Cc1nn(C)c2nc(Cl)c(CN3CC[C@@](N)(c4ccccc4)C3)cc12 2325772969 BMPXHDBJJBGRAG-IBGZPJMESA-N 355.873 2.990 0 50 FFAA Cc1nc2ccccn2c1CC(=O)NC[C@@H](C)N1CCc2ccccc2C1 2325823374 QCJSHXNEOPTBSR-MRXNPFEDSA-N 362.477 2.748 0 50 FFAA Cc1cccnc1CN(C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 2325839066 HSZVFUAUDJNVKN-MRXNPFEDSA-N 353.470 2.727 0 50 FFAA N[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)c1ccccc1Br 2325857668 KWECJLFKVAFXBI-LBPRGKRZSA-N 359.227 2.755 0 50 FFAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)c1ccc(Cn2cccc2)cc1 2325871717 WFYXQELSCOAUHZ-SFHVURJKSA-N 350.374 2.954 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cccc(O)c2)C(C)C)cc1 628252 NBCBSOZIAXVGSR-KRWDZBQOSA-N 362.451 2.642 0 50 FFAA C[n+]1cn(C[C@H](O)COc2ccc(Br)cc2)c2ccccc21 889921 AKTOTVBUDWLINX-AWEZNQCLSA-N 362.247 2.668 0 50 FFAA CC(=O)COc1ccc2c(C)cc(=O)oc2c1I 1216297 CKRXOTVBUYUCAE-UHFFFAOYSA-N 358.131 2.674 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=N)Nc2nc(C)c3ccc(C)cc3n2)cc1 2183190 BCBQRFDCQHZZEJ-UHFFFAOYSA-N 369.450 2.880 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3ncncc3F)CC1)OCC2 2356156963 YKWZGLRMPAYVCZ-UHFFFAOYSA-N 359.401 2.701 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1N1CCc2cn[nH]c21 4785454 SCQLBTSIINYIED-UHFFFAOYSA-N 360.483 2.895 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 4840737 HNKKRPGFAYNWKM-UHFFFAOYSA-N 367.188 2.977 0 50 FFAA CCc1noc(CN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)C(C)C)n1 55325389 XTCWWYMPOGXDAA-OAHLLOKOSA-N 360.458 2.874 0 50 FFAA CCCN1CCCN(C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1 225785073 DVFRCLCIMVCZPA-UHFFFAOYSA-N 355.385 2.701 0 50 FFAA CCCC(=O)Nc1ccc(CC(=O)N[C@H](C)Cn2nc(C)cc2C)cc1 55099077 DNPUYHAOWKBUTJ-OAHLLOKOSA-N 356.470 2.986 0 50 FFAA CC(C)CCN1CCN(Cc2nc(-c3ccccc3)no2)C[C@@H]1CCO 20997667 YQMSLXBIOQQPDZ-SFHVURJKSA-N 358.486 2.651 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1ccc(NCC2CC2)nc1 67642211 NRRKHUVTOVUPOH-MRXNPFEDSA-N 353.422 2.863 0 50 FFAA CC(C)(C)OC(=O)N1CCCn2ncc(I)c2C1 306821233 KARJAMVBTXLMDA-UHFFFAOYSA-N 363.199 2.629 0 50 FFAA Cc1nccn1CCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 20515325 TYFZJJAGBZNWTN-UHFFFAOYSA-N 374.872 2.514 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(C)CCc3ccccn3)n2)cc1 20910266 LRIHLSKKNVMGEY-UHFFFAOYSA-N 352.394 2.593 0 50 FFAA Cc1ccc(C2(O)CCN(CCC(=O)NC3CCCCCC3)CC2)nc1 67713985 YVRHRGBTERGIIH-UHFFFAOYSA-N 359.514 2.903 0 50 FFAA COc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1N1CCOCC1 67473112 IUXQGAXRELAVBQ-OAHLLOKOSA-N 355.438 2.760 0 50 FFAA NC(=O)CCCN1CC=C(c2cnn(C3Cc4ccccc4C3)c2)CC1 67955672 WBMBGDQSVISNKY-UHFFFAOYSA-N 350.466 2.578 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2C)cc(-n2ccnc2C)n1 67602136 YZTNCVYSUFWMIR-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)NCc2cc(-c3ccccc3)no2)c1 1398138 ZQBYMXVAIVCLRF-UHFFFAOYSA-N 374.418 2.837 0 50 FFAA Cc1cc(-c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)n(C)n1 2808701 QJSWYIVSPJYPLO-UHFFFAOYSA-N 351.439 2.510 0 50 FFAA Cn1ccnc(N2CCC[C@H](N[C@H]3CCC[C@H]3c3ccc(F)cc3)C2)c1=O 328633748 MGNGRGVNTUIXEJ-FHWLQOOXSA-N 370.472 2.814 0 50 FFAA Cc1cc(Cl)ccc1CN(Cc1nccc(N)n1)[C@H]1CCCNCC1 328625197 CYGXNGXLNMCFOK-KRWDZBQOSA-N 359.905 3.165 0 50 FFAA COc1cccc(C2(C(=O)N3CCC[C@@H](N4CCNC4=O)C3)CCCC2)c1 363506937 PRISGOBIXFBKJP-QGZVFWFLSA-N 371.481 2.523 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@@H]2CC=CCC2)CC1 72481415 QRNBRPMAPUWRGC-OAHLLOKOSA-N 359.422 2.876 0 50 FFAA Cc1nnsc1C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 365001531 MVNKXKDSHBVYRK-UHFFFAOYSA-N 355.423 2.916 0 50 FFAA O=C(O)c1cccc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)n1 262662872 UVAZPWKGTMRCMW-OAHLLOKOSA-N 358.369 2.740 0 50 FFAA CCCc1ncncc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72140508 YTCBCRWOYYLZKM-LJQANCHMSA-N 364.493 2.744 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ccc(Cl)cn3)CC2)C1 71752768 RQPYTINRVZEXEY-CQSZACIVSA-N 362.905 2.694 0 50 FFAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 158978815 QAROPJJFLVXWSM-QGZVFWFLSA-N 368.433 2.844 0 50 FFAA CCCON1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190356 YIRYCPGMTQPMOF-CGNYCVOOSA-N 359.036 2.991 0 50 FFAA Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)cnn1-c1cccc(C(F)(F)F)c1 237765714 PVCVNGJRRMVNOA-NSHDSACASA-N 367.327 2.746 0 50 FFAA Fc1ccc(/C=C/CN2CCc3nnc(Cc4cccnc4)n3CC2)cc1 72120808 NCXFQAOXSCHTAA-DUXPYHPUSA-N 363.440 2.975 0 50 FFAA O=C1CCCCCN1CC(=O)N1CCC[C@@H](COc2ccccc2F)C1 77299524 ZLUJZNVRBGVKQP-MRXNPFEDSA-N 362.445 2.846 0 50 FFAA O=C(CCc1cc2n(n1)CCN(c1nc3ccccc3o1)C2)N1CCCC1 82170647 UQEXCSGSLVROOT-UHFFFAOYSA-N 365.437 2.600 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 17073973 GKGMJZXJBUDAIZ-JOCCRWCTSA-N 358.438 2.599 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CSc1nnc([C@@H]2CCCNC2)n1C 426726879 MLRFEZZIGOJASU-SNVBAGLBSA-N 372.420 2.692 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 194441716 YLXFMBUKBNSWCS-UHFFFAOYSA-N 351.859 2.728 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)Cn1ccc(=O)c2ccccc21 223550645 LCPHMLBJYAHRCS-AWEZNQCLSA-N 353.447 2.960 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)N2CC(c3ccncc3)C2)n1 426573353 YTRYSWQWAKMORO-UHFFFAOYSA-N 364.405 2.699 0 50 FFAA CCOc1cccnc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 176354973 YOAHBSSWDNMRSS-ZDUSSCGKSA-N 359.813 2.669 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)ccn1 223413746 JDUNSCWCEOANIB-UHFFFAOYSA-N 363.417 2.849 0 50 FFAA CCOC(=O)c1cc2nc(-c3cnn(C)c3C)cc(C(F)(F)F)n2n1 20616745 GQSOWFFGCVJKLS-UHFFFAOYSA-N 353.304 2.634 0 50 FFAA Cn1cc(SCC(=O)NCc2cnn3cccnc23)c2ccccc21 426563498 QJTAREPWIGUVMK-UHFFFAOYSA-N 351.435 2.630 0 50 FFAA O=C(CCn1cccn1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82170878 CYHQVNOPNKOQHI-LJQANCHMSA-N 363.465 2.924 0 50 FFAA O=C(O)[C@H](c1ccc(O)cc1)N1CCCN(Cc2ccccc2F)CC1 95389548 QJOPVBHINZEBDG-IBGZPJMESA-N 358.413 2.865 0 50 FFAA O=C(O)[C@H](c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 95374965 UDAQMLZHUIBJOT-IBGZPJMESA-N 372.396 2.545 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3C[C@H](CO)C[C@H](CN(C)C)C3)cc2)o1 91434425 XQQQBAQFFUNNLN-IAGOWNOFSA-N 356.466 2.887 0 50 FFAA CCOc1ccc(NC(=O)NCCN2CCC[C@H](CO)C2)cc1Cl 96161926 MTCVTHLGPPNGQY-ZDUSSCGKSA-N 355.866 2.565 0 50 FFAA Cc1nnc(CN2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)o1 91586439 ALBIUMMRCLFYJV-VMPITWQZSA-N 366.465 2.906 0 50 FFAA CCCCSc1nc(N)cc(N2CCC3(CCNC(=O)CC3)CC2)n1 95369163 GANATJPJGFVMSH-UHFFFAOYSA-N 363.531 2.838 0 50 FFAA COc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)cc1OCc1cccc(F)c1 97098884 DYZOHXVVHUIPKY-OALUTQOASA-N 374.456 2.520 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 95388518 KSGOZTNRKUQAGP-HNNXBMFYSA-N 374.412 2.587 0 50 FFAA CCC(=O)Nc1cc(NC(=O)NCCNc2ncccc2C)ccc1OC 96165582 WTSYLFZPQSVUST-UHFFFAOYSA-N 371.441 2.981 0 50 FFAA O=C(Nc1ccc2nncn2c1)c1csc(-c2ccc3c(c2)OCO3)n1 179624380 CRESFJFNIVTPMA-UHFFFAOYSA-N 365.374 2.834 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1c[nH]c2ccc(F)cc2c1=O 97642113 BZMQEHBDCWWOEA-QGZVFWFLSA-N 355.369 2.522 0 50 FFAA c1nc(N[C@H]2C[C@@H](c3cc(N4CCOCC4)ncn3)C2)c2sccc2n1 243893182 AOZNPCSSVMGHCZ-BETUJISGSA-N 368.466 2.676 0 50 FFAA CC(C)[C@H](CO)NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 252488162 IMEOWZXXYLSULK-JTQLQIEISA-N 358.261 2.647 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1nnc(O)c2ccccc12 607345250 VLCDRBASBHUAFB-KRWDZBQOSA-N 359.389 2.703 0 50 FFAA CN(C)c1cc(N2CCC[C@](CO)(CCOc3ccccc3)C2)ncn1 67757371 VZBIQOLWWGYQJQ-FQEVSTJZSA-N 356.470 2.591 0 50 FFAA CN(CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)Cc1ccccn1 299785828 MGDIZTKQMDMSFV-HXUWFJFHSA-N 366.509 2.542 0 50 FFAA CCc1noc(-c2ccccc2NC(=O)NC[C@@H](CC)N2CCOCC2)n1 299802686 NIGJJVQRYJTWNA-CQSZACIVSA-N 373.457 2.531 0 50 FFAA COC(=O)COc1ccccc1-c1nc2c(-c3cccnc3)nn(C)c2[nH]1 824151796 BQJAPRSAGPPXPA-UHFFFAOYSA-N 363.377 2.577 0 50 FFAA CC[C@H](NC(=O)N1CCO[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1F 267628974 PZQTUYQMGONQBV-DLBZAZTESA-N 364.396 2.933 0 50 FFAA Cc1cccc([C@@H](NC(=O)N2CCCN(c3ncccn3)CC2)C2CC2)n1 670446631 DLKKNIJRYDHNGE-SFHVURJKSA-N 366.469 2.553 0 50 FFAA Cc1cnc(C)c(N2CCC(CNC(=O)c3cncc(Cl)c3)CC2)n1 952980415 KTDYFPZWJDWQTF-UHFFFAOYSA-N 359.861 2.788 0 50 FFAA Cc1nnc([C@@H](C)N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)o1 279292640 LGKGEARTAOHHGQ-XBFCOCLRSA-N 353.467 2.748 0 50 FFAA O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1cccn1C1CC1 192231117 ZUSKDFCVIYQXOW-IBGZPJMESA-N 353.466 2.844 0 50 FFAA CN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 195021484 BLHPZTJVXNYMCU-UHFFFAOYSA-N 352.360 2.715 0 50 FFAA O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccc(F)cc21 796626157 PHGYRWOFGICVAR-AWEZNQCLSA-N 373.327 2.989 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(CCS(=O)(=O)c3ccccc3)C1)CC2 1704341342 SJVZYBGYTNEQGU-FQEVSTJZSA-N 371.506 2.539 0 50 FFAA CCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1Cl 1704315802 OHSYJEWNTDALBL-UHFFFAOYSA-N 350.850 2.666 0 50 FFAA CCCCOCC(=O)N1CCCN(C(=O)c2ccc(C)c(F)c2F)CC1 1772701902 ICYXGBIXFGRLLC-UHFFFAOYSA-N 368.424 2.764 0 50 FFAA C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO)c1ccc(-c2ccccc2)c(F)c1 1772808639 WWTBCPFRRFDHIZ-ZMYBRWDISA-N 369.436 2.655 0 50 FFAA Cc1ccc(N2CCC(N3CCOC[C@@H](C(=O)O)C3)CC2)cc1Cl 1772811057 SDUHSQFPQOMWFL-AWEZNQCLSA-N 352.862 2.650 0 50 FFAA CCOc1cc2c(cc1CN1CCCN(C(=O)[C@H]3CCCO3)CC1)CCC2 1772811974 CXOJOQZMNGECCT-HXUWFJFHSA-N 372.509 2.787 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 11838364 HELIDEFPWPYMAD-INIZCTEOSA-N 372.490 2.755 0 50 FFAA COc1ccc(F)c(CN2CCC[C@](O)(CNC3CCCCC3)C2=O)c1 11839370 WHXNNFKEXBADFX-FQEVSTJZSA-N 364.461 2.610 0 50 FFAA O=C(/C=C/c1ccccn1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 12077857 LAXMSTZUUFRIMU-KBOKABMXSA-N 358.401 2.672 0 50 FFAA CC(C)Cc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 12382400 YUDNBNVURDGXOF-UHFFFAOYSA-N 358.423 2.642 0 50 FFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 12612678 KXBLBLIXXSQYQJ-KRWDZBQOSA-N 361.505 2.838 0 50 FFAA CC(C)OCCNC(=O)c1cc(COc2ccc3ncccc3c2)on1 15078134 DHVYPFZNMGSEBS-UHFFFAOYSA-N 355.394 2.957 0 50 FFAA Cc1cccnc1N1CCN(C(=O)[C@@]23CC[C@@](C)([C@@H](O)C2)C3(C)C)CC1 19853895 QPNCLMQVKFGYRP-ORYQWCPZSA-N 357.498 2.616 0 50 FFAA CCc1nc(-c2sc(-c3ncccn3)nc2CC)n([C@@H]2CCOC2)n1 1857681965 KOPBGVJLHUGKND-LLVKDONJSA-N 356.455 2.945 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)NCCc4ccncc4)CC3)nc2n1 1857739967 BCVQLIWNTDCXNO-UHFFFAOYSA-N 365.437 2.502 0 50 FFAA O=C(c1ccc(F)cc1)N1CCN(c2ncnc3c(F)cccc23)CC1 302667053 JNYINAUXGCXHBW-UHFFFAOYSA-N 354.360 2.870 0 50 FFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@H](C(=O)O)C1 236612443 XHKHLZGYCKHDEY-JTQLQIEISA-N 356.216 2.783 0 50 FFAA O=C(O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 238026408 GSPSFIRDDMQGAD-ZIAGYGMSSA-N 352.228 2.876 0 50 FFAA O=C(NCC1CC1)[C@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 252499649 SDKINSUILPYJDL-HNNXBMFYSA-N 374.435 2.889 0 50 FFAA C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)Cc1nn(C)c2ccccc12 263243497 RXXRDVFJWJWQHE-CQSZACIVSA-N 351.406 2.618 0 50 FFAA COc1ccccc1-c1nc(C(=O)NS(=O)(=O)CC2CCC2)cs1 164835744 ILAAXOCDTOZQEM-UHFFFAOYSA-N 366.464 2.678 0 50 FFAA O=C(CCc1ccncc1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848714 SGIQRYIJZAPUPY-SJORKVTESA-N 351.454 2.662 0 50 FFAA CN1CC[C@@H](NC(=O)N2CCC[C@H]2Cc2ccc3ccccc3c2)C1=O 1875259788 JCBSYAMIRYSAIX-RBUKOAKNSA-N 351.450 2.787 0 50 FFAA C=CC(=O)N1CCN(C(=O)CCc2ccsc2Br)[C@@H](C)C1 1875381203 NJUAQGJNSHSILF-NSHDSACASA-N 371.300 2.689 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2Cn2nc(C)cc2C)cc1 1875365243 MZRJSNHXTPXNNR-IBGZPJMESA-N 366.465 2.607 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 1875371117 PJSGNNYQNHKDNK-UHFFFAOYSA-N 358.829 2.889 0 50 FFAA COCCn1nc2c(c1C(=O)NCc1ccccc1C)C[C@H](C)O[C@@H]2C 1875314633 JUFAAQTVRJGNAO-LSDHHAIUSA-N 357.454 2.790 0 50 FFAA O=C(NCC[C@H]1CCCS1(=O)=O)[C@H](F)c1ccc(C(F)(F)F)cc1 881899724 DICDBMVZILWRCG-CHWSQXEVSA-N 367.364 2.800 0 50 FFAA CC(=O)c1cncc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 888241031 ORUMKPPYJFUBHW-CHWSQXEVSA-N 354.410 2.545 0 50 FFAA C[C@H](C(=O)N1CC[C@@]2(CCCN2C(=O)c2cnco2)C1)c1ccccc1 2325871714 WFEVIPBGECLMQB-YWZLYKJASA-N 353.422 2.685 0 50 FFAA COc1cccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)c1 1159164 LQKBBNQDJUWGJD-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(F)cc2)cc1 2064949 AZKPFLNTFZJRNY-UHFFFAOYSA-N 364.442 2.854 0 50 FFAA COC(=O)c1sc(NC(=S)NC(=O)c2ccc(F)cc2)nc1C 2982327 CLGCJHHXGLRQIK-UHFFFAOYSA-N 353.400 2.504 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1nc(-c2ccccc2)cs1 2356153977 CPFDOVHSIHEJHI-HXUWFJFHSA-N 371.506 2.759 0 50 FFAA CCc1ccc(NC2=N[C@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 4973729 JTFGMIQKVCAXSG-SFHVURJKSA-N 360.421 2.950 0 50 FFAA O=C(COc1ccccc1Cl)Nc1ccccc1C(=O)N1CCOCC1 6702130 MSGAIRHYSIJRJD-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA O=C(CSc1nccc(=O)[nH]1)NC(c1ccccc1)c1ccccc1 9427152 DRFZJXJWZPDINE-UHFFFAOYSA-N 351.431 2.768 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCC1(Cn4ccnc4)CC1)(C3)C2 102338201 AABBCAJVTKRLBD-XRULBBBTSA-N 357.498 2.891 0 50 FFAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C(N)=O)c1C 101705648 GZRWMWOYEHZVJR-GARJFASQSA-N 350.440 2.707 0 50 FFAA CC(=O)N[C@H]1C[C@@H](C(C)(C)CN2CCOCC2)O[C@@H](C2CCCCC2)C1 65527286 XNWLAUFRBOULRD-AQNXPRMDSA-N 366.546 2.977 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1NC(=O)c2ccccc21 65529236 IEIWNUSBIRBJQM-GOSISDBHSA-N 360.417 2.672 0 50 FFAA CCc1c(C)nn(CCNC(=O)CC(=O)Nc2ccc(C)cc2C)c1C 65488348 JIHOZFQGJVOUFK-UHFFFAOYSA-N 356.470 2.824 0 50 FFAA Cc1ccc2[nH]c(CN3CCN(c4ncc(C)c(N)n4)CC3)c(C)c2c1 67787594 NNHZOYIIFAIDKG-UHFFFAOYSA-N 350.470 2.788 0 50 FFAA O=C(NC[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccncc1Cl 328644839 ZLIATIFLNPQDHO-SECBINFHSA-N 358.751 2.943 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(Cc2cccc3cc[nH]c23)CC1 328629663 ILRCMHMEIRQSIY-SFHVURJKSA-N 364.497 3.027 0 50 FFAA NC(=O)c1ccccc1NC(=O)c1cccc(Cn2cc(Cl)cn2)c1 1069269 IHGQGPILIFEPPO-UHFFFAOYSA-N 354.797 2.936 0 50 FFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@H]1CCn1cccn1 77318869 AJBBRMMMVWPUAU-HNNXBMFYSA-N 350.422 2.810 0 50 FFAA Cn1c([C@@H]2CCCN2Cc2cc(=O)n3ccsc3n2)nc2c1CCCC2 328637476 OQQUWMHHYLLURA-INIZCTEOSA-N 369.494 2.705 0 50 FFAA CN(CCN1CCOC1=O)C(=O)c1c(O)c(Cl)cc(Cl)c1Cl 150951127 ODPCDOWVTYEVEO-UHFFFAOYSA-N 367.616 2.877 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)CCN(C)[C@H]3CCN(C)C3)cc2c1C 71745332 FZBWHHPYFCZTMI-KRWDZBQOSA-N 356.514 2.681 0 50 FFAA O=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC(c2ccn[nH]2)CC1 153173196 ZCTAMJIPIVVYRH-UHFFFAOYSA-N 373.432 2.797 0 50 FFAA C[C@H]1CCCCN1CCN(C)c1nc(-c2ccncc2)nc2c1cnn2C 72121639 IMLYUWFQUSQXLS-HNNXBMFYSA-N 365.485 2.736 0 50 FFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1cnn(C[C@@H]2CCCO2)c1 363693305 YGYFDYSJHRIQJS-INIZCTEOSA-N 366.425 2.774 0 50 FFAA O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CC2(CCNCC2)CN1 72146466 NBNVCHWLBXOANW-HXUWFJFHSA-N 365.477 2.827 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)c3scc4c3OCCO4)n2)cc1 219690038 YWWJUMIQMAEAMG-UHFFFAOYSA-N 371.418 2.850 0 50 FFAA COc1cccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)c1 72433300 AADRQBDHOCSJGR-GOSISDBHSA-N 369.513 2.799 0 50 FFAA Cc1ccc(-c2[nH]ncc2CN2CCC[C@H](CN3CCN(C)CC3)C2)cc1 216073968 GZUGFCQEBJOBMZ-LJQANCHMSA-N 367.541 2.845 0 50 FFAA O=C(NCc1cccnc1)c1cn(-c2ccc(Br)cc2)cn1 157540412 CICGTSZHDWJRDI-UHFFFAOYSA-N 357.211 2.960 0 50 FFAA O=C(Nc1ccon1)C(=O)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 375437764 OQIKXUMFXKQNBH-HZPDHXFCSA-N 353.422 3.114 0 50 FFAA CCc1n[nH]c(=O)c(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)c1CC 262963270 KONJBONIMKJDRZ-UHFFFAOYSA-N 368.359 2.625 0 50 FFAA Cc1cccc2[nH]c(-c3c(C(=O)N4CCOCC4)nc4ccccn34)nc12 71750742 MEOWIWSPIBVLMW-UHFFFAOYSA-N 361.405 2.658 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@H]2CC[C@H]2NC2Cc3ccccc3C2)s1 72421019 ZLZWELFHFXFOSW-SJORKVTESA-N 370.522 2.901 0 50 FFAA CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c2cc(Cl)ccc21 173669221 QOLKWLRKZQBSNO-CYBMUJFWSA-N 373.840 2.765 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3cnc4ccccc4c3)C2)CC1 76883025 JQQZKUBPYDDRBU-GOSISDBHSA-N 352.482 2.523 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(N2CCCC2=O)c1 241466105 NUWCBENNAUITBZ-QGTPRVQTSA-N 370.449 2.760 0 50 FFAA C[C@@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1nnnn1C1CC1 242100079 WEFJXTWXCSRQJM-SNVBAGLBSA-N 373.848 2.746 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccccc1OC1CCCC1)C2 82116075 YOGVERDHMZBBDL-UHFFFAOYSA-N 368.481 2.856 0 50 FFAA COc1ccnc(N2CCC(C(=O)N3c4ccccc4OC[C@H]3C)CC2)n1 175368385 MKISZUKBVFXKGS-CQSZACIVSA-N 368.437 2.516 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 290267441 AUHUHIGNHHTWSU-UKRRQHHQSA-N 359.861 2.718 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17076678 WMJCNKBIEZGBFB-DDNHJUOSSA-N 374.525 2.990 0 50 FFAA O=C(c1cnoc1-c1ccccc1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426575184 XVQZEXCNWQQAJH-MRXNPFEDSA-N 366.421 2.550 0 50 FFAA COc1cccc(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1 82100189 IVIAFTDWSXAASE-UHFFFAOYSA-N 358.825 2.767 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccsc3)n[nH]2)CC1 82136729 QZFOYKLWTNSYBP-UHFFFAOYSA-N 353.451 2.804 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2csc(CN(C)C)n2)C1 91604474 ZKODITHHVJAXCC-SFHVURJKSA-N 351.516 2.776 0 50 FFAA CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CCN(c2ccccn2)CC1 95379987 DHQWWAJXVIJZTR-IBGZPJMESA-N 355.438 2.817 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1c[nH]c2ccc(F)cc2c1=O 97642111 BZMQEHBDCWWOEA-KRWDZBQOSA-N 355.369 2.522 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1csc(-c2cnccn2)n1 95511801 OIJNGUSROKBNOC-CYBMUJFWSA-N 370.482 2.840 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1 96147867 QOLBMSAGHFIOGV-CQSZACIVSA-N 369.918 2.870 0 50 FFAA CCN(C(=O)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1)c1ccccc1 95503980 SSIKOKOFCSPFEJ-GOSISDBHSA-N 353.422 2.952 0 50 FFAA COCCN1CCC[C@]2(CCN(c3cccc(C(F)(F)F)n3)C2)C1=O 91434221 DDXHLELXUJHUKK-MRXNPFEDSA-N 357.376 2.566 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 91526655 YNNFDECJEQZLNF-HNAYVOBHSA-N 355.482 2.616 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 96139806 KDLHWKMSILPYSE-AWEZNQCLSA-N 367.457 2.972 0 50 FFAA Cc1nc(-c2ncc(C(=O)N3CCC[C@H]3c3ccccn3)c(O)n2)cs1 91755811 JMQCYIHGNKGWQU-HNNXBMFYSA-N 367.434 2.986 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1cncc(Cl)c1 295258112 KRTPSWFBDAVTTD-UHFFFAOYSA-N 365.842 2.676 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccn(Cc2ccccc2Cl)n1 245225953 BHDKJQRQPIQZHF-IYVPYFHTSA-N 353.809 2.896 0 50 FFAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2cnn(CC(=O)NC)c2)cc1 534575289 USTFSFPAAMFHSD-IBGZPJMESA-N 366.465 2.867 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3cccc4ccnn34)cc2)[C@@H](C)C1=O 534633564 NSUPVTOKYLNONM-HNNXBMFYSA-N 362.433 2.694 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)nc2ncnn12 299773465 BZHANIBPJIQROG-OAHLLOKOSA-N 351.410 2.541 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299772787 BVHJXJSPZPTPFJ-OTWHNJEPSA-N 371.481 2.513 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)NCCc2nncn2C(C)C)cc1 299799176 PVUMMDDWCOSMKU-UHFFFAOYSA-N 353.430 2.717 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2cccc3nccnc23)c1 824313378 PICUDWKFOZOFKY-UHFFFAOYSA-N 350.378 2.775 0 50 FFAA CCN1CCN(Cc2nc(CC(C)C)nn2-c2ccc(OC)cc2)CC1 823116964 LNFRBDJZZBYWLQ-UHFFFAOYSA-N 357.502 2.612 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)N[C@H]2COc3ccccc3C2)CC1 584886973 XOSKPPABZUEDLS-GOSISDBHSA-N 366.465 2.615 0 50 FFAA CCOc1ccc([C@@H](CC)NC(=O)N2CCC3(CC2)CNC(=O)C3)cc1 584890750 OKGYIGXENJEYNN-QGZVFWFLSA-N 359.470 2.848 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccccc1-c1nc[nH]n1 670455443 QAYQPARHZATMCL-SFHVURJKSA-N 358.405 2.840 0 50 FFAA Cc1ccc(=O)n(CC(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)n1 670455904 JBOSRTMJSVRUBM-QGZVFWFLSA-N 369.396 2.622 0 50 FFAA NS(=O)(=O)c1ccc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 1336489646 CJJHHKJQKJXMRU-ZDUSSCGKSA-N 365.886 2.926 0 50 FFAA O=C(NCC1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@H]1CCOC1 952985098 BORADVXEDAMVAE-SFHVURJKSA-N 366.465 2.513 0 50 FFAA Cc1cccc(C[C@@H](CO)NC(=O)C2CCN(c3nc(C)cs3)CC2)c1 170088324 WSSYEZHLGUICQP-SFHVURJKSA-N 373.522 2.696 0 50 FFAA CCC1(CC)CN(C(=O)c2cccc(Br)c2)CCS1(=O)=O 170601420 GESOGMQFTORXBD-UHFFFAOYSA-N 374.300 2.879 0 50 FFAA COc1ccc(Cl)cc1CNC(=O)N1CCCN(C(=O)C2CC2)CC1 187620127 ZFTPCAWLGRKHDE-UHFFFAOYSA-N 365.861 2.503 0 50 FFAA COc1ncnc2c1CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC2 195498899 ZREKTLBJHMJWJP-KRWDZBQOSA-N 374.510 2.808 0 50 FFAA c1ccc(COc2ccc(CN3CCN([C@H]4CCNC4)CC3)cc2)cc1 97076298 XIVSNJSQPVFTFK-NRFANRHFSA-N 351.494 2.745 0 50 FFAA COc1cc(Cl)cc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)c1OC 1615739822 OTTFKWQTPMJYAP-IRXDYDNUSA-N 366.889 2.652 0 50 FFAA Cc1cc(C)c2nc3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n3c2c1 753610 MYGCVJRLQDTLEK-PXNMLYILSA-N 350.399 2.802 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2ccsc2)[C@H]1c1ccccc1 1529112960 AQSITXYAPGCWOQ-MSOLQXFVSA-N 358.463 2.741 0 50 FFAA OC[C@@]1(O)CCOC2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1 1704345494 ZOYSVMMWMAJEJV-MRXNPFEDSA-N 360.281 2.862 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)N3CCC[C@H]3C3(O)CC3)n2)c1 1772805869 URFRNLDMUWVURV-INIZCTEOSA-N 355.438 2.884 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 11945596 KHVIZCOLCNTHCS-INIZCTEOSA-N 367.371 2.831 0 50 FFAA COc1ccccc1N1CCN(c2ncccc2CNCC2CC2)CC1 12306091 MCQHOIDKOQTOPZ-UHFFFAOYSA-N 352.482 2.916 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)cc1 13682773 OYYVUYCIPLMMTH-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA O=C1CN(CC2CC2)C[C@H](OCc2ccccc2)CN1CC1CCOCC1 14539591 QKZULJUGKHIIJM-NRFANRHFSA-N 372.509 2.553 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3ccccn3)CC2)cc(C(F)(F)F)n1 169772422 UHTVZRWAKRZIKS-UHFFFAOYSA-N 365.359 2.598 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(c3nnnn3-c3ccccc3)CC2)O1 1857667393 ZWDJLMSPJCWBDO-IAGOWNOFSA-N 371.485 2.587 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2cccc(F)c2)C[C@H]1NC(C)=O 1857694635 GSCPEBXJCXMZTM-QXAKKESOSA-N 364.461 2.584 0 50 FFAA O=C(NC[C@@H]1CCCO1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857701208 GYIRDRUSCDXKEX-AWEZNQCLSA-N 363.845 2.993 0 50 FFAA CCNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccnc(C)n1 1857740505 QGJAAHVTAGJGIM-TUNNFDKTSA-N 364.493 2.887 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 109621831 JUBPLWMIPAMFQV-ZDUSSCGKSA-N 351.830 2.711 0 50 FFAA NC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2O)ccc1Cl 436475954 CYJJZBFWVSXFIG-UHFFFAOYSA-N 361.206 2.599 0 50 FFAA CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1cccc2cccnc12 125457679 WPDPVZRCDQTYPO-GOSISDBHSA-N 370.478 2.808 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@H]([C@H](C)N)C2)cc1Br 237188370 ABBASJBPLRZJNW-JSGCOSHPSA-N 369.303 2.976 0 50 FFAA NS(=O)(=O)c1ccc(CCNc2nccc(Nc3ccccc3)n2)cc1 244004452 SHCKJLZUDVENGR-UHFFFAOYSA-N 369.450 2.522 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N1CC(F)(F)C[C@@H]1CO 364000279 PGHHBQFSGXHTTO-OAHLLOKOSA-N 353.413 2.588 0 50 FFAA COc1ccc(C2(C(=O)NC[C@]3(O)CCO[C@H]3C)CC3(CCC3)C2)cc1 367675895 QVZFFDOAKGBIKC-YCRPNKLZSA-N 359.466 2.553 0 50 FFAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCOC4(CCCCC4)C3)ccc2N1C 267336583 BETJTHYHXUSBKB-CQSZACIVSA-N 357.454 2.639 0 50 FFAA Cn1nc(O)cc1C(=O)N[C@H]1CSCc2ccc(Br)cc21 1875294962 ZETWHGRSTOTNEP-NSHDSACASA-N 368.256 2.606 0 50 FFAA Cc1sc(=Nc2ccccn2)[nH]c1-c1cn([C@@H]2CCCC[C@H]2O)nn1 1875279291 MSRLPLAKUFMEOA-ZIAGYGMSSA-N 356.455 2.747 0 50 FFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cnn(-c2cccc(Cl)c2)c1 1875399740 ILWKNSIYLRJZTD-NIKGAXFTSA-N 371.872 2.652 0 50 FFAA Cc1cocc1C(=O)N[C@@H](C)CN(C)C(=O)COc1ccc(F)cc1F 1875327988 SRAHZRDHZUKXKC-LBPRGKRZSA-N 366.364 2.522 0 50 FFAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H]2C[C@H](C(=O)O)CC[C@H]2C1 1875304715 RNYUJUGUACISHI-UPJWGTAASA-N 373.375 2.717 0 50 FFAA Cc1cccc(C(=O)N2CCC([C@@H]3OCC[C@H]3Nc3ncccn3)CC2)c1 888103670 RYZUELSPLDXTHN-MOPGFXCFSA-N 366.465 2.907 0 50 FFAA Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC=C(Cl)C3)c2C)n1 898190742 MQHNXBXPYLWWFX-UHFFFAOYSA-N 359.861 2.793 0 50 FFAA COC(=O)c1ccc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)cc1 12445405 SSYRDGAAXIYFEB-YBEGLDIGSA-N 364.426 2.860 0 50 FFAA CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)N1CC[C@H](N2CCCC2=O)C1 2325780007 YUBRYLIIPLJEHW-AWEZNQCLSA-N 360.502 2.773 0 50 FFAA COc1ccc(C)cc1C1(CNC(=O)[C@H]2C[C@H](N(C)C)C2)CCOCC1 2325784679 BSUMKCSUJYRQPD-QAQDUYKDSA-N 360.498 2.508 0 50 FFAA CC(C)(Cc1ccc(CN)cc1)C(=O)N1CCc2ccccc2[C@H](N)C1 2325787982 FXNJHEDZFQYZKE-HXUWFJFHSA-N 351.494 2.799 0 50 FFAA NC(=O)[C@@H](OC(=O)c1ccc2c(c1)CC2)c1cccc(Br)c1 2325870819 QUJZGTOGYGOMOV-HNNXBMFYSA-N 360.207 2.931 0 50 FFAA O=c1oc2ccccc2cc1C1=Nn2c(nc3ccccc3c2=O)SC1 633683 PIQRGFMIOOWQAN-UHFFFAOYSA-N 361.382 2.861 0 50 FFAA Cc1cccc2nc(COCC(=O)N3CCC(OC(F)(F)F)CC3)[nH]c12 2356158098 CSCRQFHGILMAJA-UHFFFAOYSA-N 371.359 2.915 0 50 FFAA CC1(C)OC[C@@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)O1 2562343 ZHFVGOMEUGAIJX-FIDHJVLJSA-N 350.411 2.600 0 50 FFAA COc1cc(NC(=O)Cn2cnc3ccccc3c2=O)c(OC)cc1Cl 3359794 WXQOQHDLPUAXPF-UHFFFAOYSA-N 373.796 2.706 0 50 FFAA O=C(N[C@@H]1C(=O)Nc2cc(F)ccc21)c1cc(COc2ccccc2)[nH]n1 102321989 PHHRSNLXEXJVFB-KRWDZBQOSA-N 366.352 2.551 0 50 FFAA CCNc1cnc(-c2noc(-c3ccn(-c4cccc(F)c4)n3)n2)cn1 225745225 ULRIPUBLXIOGPX-UHFFFAOYSA-N 351.345 2.950 0 50 FFAA Nc1nc(S[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)n[nH]1 20096342 FQYIGDYLHYIHFU-CQSZACIVSA-N 357.414 2.676 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 101696047 PHMRRVDNMRMVEH-PVFTVIPPSA-N 367.232 2.963 0 50 FFAA Cn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(Cn2cccn2)c1)CC(=O)N3 65410017 XODLFARXODAMFV-HNNXBMFYSA-N 374.400 2.850 0 50 FFAA COc1cccc([C@@H]2CNC(=O)c3nc(CCCN4CCCC4)[nH]c3C2)c1 65418778 ICJOVZLQOHEDBU-INIZCTEOSA-N 368.481 2.516 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N3CCc4ccccc4C3)cnn2c1 67694533 SJBNALMOXLNHLX-UHFFFAOYSA-N 363.465 2.770 0 50 FFAA FC(F)(F)CN1CC[C@@H](c2nc(Cc3ccc4c[nH]nc4c3)no2)C1 350280629 ZLXWPFZFJXUGRQ-GFCCVEGCSA-N 351.332 2.888 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccccn2)[nH]n1 409415014 QZTWLOGIGSSVKD-BEFAXECRSA-N 353.470 2.808 0 50 FFAA C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)C1CC1 252482020 CWUWKQDBWSVHMM-GFCCVEGCSA-N 351.472 2.828 0 50 FFAA CCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 229737503 ZYFVTLZWKANQIZ-GDBMZVCRSA-N 358.404 2.977 0 50 FFAA Cc1nc(N2CCC(CO)(Cc3ccccc3)CC2)cc(-n2cccn2)n1 67872005 VYSUANFIXQLYBG-UHFFFAOYSA-N 363.465 2.792 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 1429929 ONQRQTNLAPFLLI-UHFFFAOYSA-N 359.329 2.708 0 50 FFAA CCNc1ncc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 72147176 FPHPVSLHQDFEEY-QGZVFWFLSA-N 371.460 2.784 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 254558876 NRDIJPOQHRRDCY-RQPJFFLJSA-N 372.465 2.648 0 50 FFAA Cc1nc(C2CCNCC2)cc(N2CCC[C@@H](C(=O)c3ccccn3)C2)n1 39557808 HXHRBEHGIMNVSV-QGZVFWFLSA-N 365.481 2.746 0 50 FFAA O=C(Cn1nnnc1C1CCOCC1)Nc1ccc(Cl)c(Cl)c1 331541007 GNOSMNVHNRPOFU-UHFFFAOYSA-N 356.213 2.513 0 50 FFAA CS(=O)(=O)NC1CCN(CC(c2ccccc2)c2ccccc2)CC1 77406945 RTMUMXCCSDGXCQ-UHFFFAOYSA-N 358.507 2.832 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)n1 77472021 IETQEDXIUHYQOX-HXUWFJFHSA-N 360.502 2.794 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(c2nccc3c2C(=O)OC3(C)C)C1 368770823 SOIZCZHQNIYKHG-ZDUSSCGKSA-N 357.410 2.887 0 50 FFAA CC(=O)N1CCCCC[C@H]1C1CCN(Cc2nnc(C3CC3)n2C)CC1 369234568 DFUGTEMXYGJNHV-SFHVURJKSA-N 359.518 2.696 0 50 FFAA Cc1ccc2nc(CN3C(=O)C4(CCNCC4)Nc4ccccc43)cn2c1 77503641 DIAFPZGGECDNEM-UHFFFAOYSA-N 361.449 2.724 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1csc(-c2ccoc2)n1 238032434 AWEISNOGUOSBFK-MRXNPFEDSA-N 368.414 2.984 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 214994950 HBOASXHSBGUQCJ-AWEZNQCLSA-N 364.453 2.938 0 50 FFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)C1 241564184 OSALMBLCMZYCLA-ZTFGCOKTSA-N 371.481 2.658 0 50 FFAA CCCc1nc(N2CCC(OCc3cccnc3)CC2)c2cnn(C)c2n1 72478904 JNVNQKQKPQENLZ-UHFFFAOYSA-N 366.469 2.896 0 50 FFAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 72154581 SZNGHOKDMQFBKQ-GOSISDBHSA-N 358.530 2.533 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1C 77377838 VOIIIQLLPARYOT-UHFFFAOYSA-N 360.845 2.845 0 50 FFAA O=C1OC2(CCN(C(=O)c3ccco3)CC2)CN1CCOc1ccccc1 77322733 KPKRVDQRERSIEX-UHFFFAOYSA-N 370.405 2.786 0 50 FFAA CCc1nc(C)sc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 220164576 WSOGPOISJUIZRQ-ZIAGYGMSSA-N 367.496 2.575 0 50 FFAA C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C(C)(C)C)cc1 43748529 OIVSWWZEHYLAHK-AWEZNQCLSA-N 366.527 2.833 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(C)n1 220126665 GKUXHPLTYJNKLF-MOPGFXCFSA-N 357.454 2.706 0 50 FFAA CC(=O)N1CC2(CCN(Cc3c(C)cc(C)cc3C)CC2)C[C@H]1C(=O)O 82108976 GUUCBMHHLGWEEZ-IBGZPJMESA-N 358.482 2.899 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3ccc(CN4CCCC4)o3)n1)CCNC2 19113131 VROHFMUVHMAFDJ-UHFFFAOYSA-N 365.437 2.942 0 50 FFAA CN(C)c1cccc(-c2ccc(C(=O)N3CCN(CCCO)CC3)cc2)c1 426492901 OKEWBDMAHGNHGY-UHFFFAOYSA-N 367.493 2.560 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@@H]2CCCCN(Cc3[nH]cnc3C)C2)cs1 82134198 DHJTTYIDCDNGRI-MRXNPFEDSA-N 374.510 2.696 0 50 FFAA CNC[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)C1 178972570 JLWNZEPNCUGFAQ-QWHCGFSZSA-N 355.276 2.593 0 50 FFAA CCCN1CCC(NC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CC1 426589989 OLUUGCBLBRXDHP-NRFANRHFSA-N 373.541 2.886 0 50 FFAA COc1ccc(CNC(=O)c2c(C)c3ccccc3[nH]c2=O)cc1OC 145305026 AZYZPFKPGBRGDY-UHFFFAOYSA-N 352.390 2.784 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC(c3nccn3CC3CC3)CC2)c(=O)[nH]1 82127899 ADPWGENQYPDIIN-UHFFFAOYSA-N 354.454 2.618 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCCSC1CCCCC1 426523236 TWAIGVWXGHSJQX-HNNXBMFYSA-N 350.532 2.532 0 50 FFAA O=C(O)C[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)[nH]c2ccccc12 95520030 GTRBQKKMDQOPBV-SFHVURJKSA-N 362.385 2.742 0 50 FFAA CCOc1cccc(C(=O)N2CCC(c3nccn3CCOC)CC2)c1 95509874 VZAYIZNQMBCHFH-UHFFFAOYSA-N 357.454 2.948 0 50 FFAA CCCN(C(=O)Cn1nccc1[C@@H]1CCCNC1)C1Cc2ccccc2C1 426438850 LLEQGCKWXAJUNY-LJQANCHMSA-N 366.509 2.756 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 91793969 ZVHGUOJRSRRDGD-HXUWFJFHSA-N 370.416 2.983 0 50 FFAA CC[C@]1(C)CC(=O)c2cc(NC(=O)NCCCn3ccnn3)ccc2O1 96180424 NRRNUGXVCNICGD-GOSISDBHSA-N 357.414 2.624 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN2C(=O)Nc2cc(-c3ccccc3)nn2C)n1 95510832 JZKLWLQYOLXDTP-HNNXBMFYSA-N 351.414 2.883 0 50 FFAA CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239203378 SFWQJLUQLRSSCF-XJNFMUPTSA-N 357.406 2.961 0 50 FFAA Cc1ccc(-n2nc(C(=O)N[C@H](C(=O)O)C(C)C)c3c2CCC3)c(F)c1 236781691 FCNPAOFDPMOCKO-INIZCTEOSA-N 359.401 2.648 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1ccc(-n2cncn2)cc1 95508524 NUANKROECCHAIK-UHFFFAOYSA-N 367.413 2.972 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)c(C)o1 95359342 ZEEVVMKSDLKJRF-MGPUTAFESA-N 355.390 2.675 0 50 FFAA O=C(c1ccc([C@H]2CCCNC2)cc1)N1CCN(c2ccncc2)CC1 95356643 XOKAPMFEWBRULT-IBGZPJMESA-N 350.466 2.511 0 50 FFAA Cc1cnn([C@H](C)c2nc(Cn3cncn3)nn2-c2ccccc2Cl)c1 96161996 VCABDGJWUUDZJI-CYBMUJFWSA-N 368.832 2.675 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)Nc1ccc2c(c1)nnn2C 97831163 MDXGNNQMXGFWEA-LBPRGKRZSA-N 367.409 2.964 0 50 FFAA Fc1ccc2c(CCNCc3cnc(N4CCOCC4)s3)c[nH]c2c1 237733017 KBSGEOWKKYUNME-UHFFFAOYSA-N 360.458 2.932 0 50 FFAA CCCCn1nc(Cc2cccs2)nc1C[C@@H]1C=CS(=O)(=O)C1 96151661 PHODBXACRRPQSV-ZDUSSCGKSA-N 351.497 2.831 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C2)n1 244724014 MMBSJKRBPZOOJD-FQEVSTJZSA-N 352.482 2.938 0 50 FFAA Cc1ccc2[nH]c(C3CCN([C@H](C)C(=O)Nc4nncs4)CC3)nc2c1 243932099 BSTIYKNUWAKCGJ-GFCCVEGCSA-N 370.482 2.929 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 243892786 ALFUEECPBSXQMY-BXWFABGCSA-N 360.479 2.996 0 50 FFAA C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCCN(C2CCC2)C1 182769189 NKCIYWACFJWKMX-JAQSECSASA-N 361.530 2.896 0 50 FFAA CC(C)(CC(N)=O)NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 184640209 UMEHGDMVHMZRHX-UHFFFAOYSA-N 356.470 2.854 0 50 FFAA Cc1cc(N2CCCN(Cc3nc(-c4cccnc4)no3)CC2)ccn1 252500519 SXDWVQCIFPRJPF-UHFFFAOYSA-N 350.426 2.547 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC[C@H](n2cncn2)C1 183836792 LWJFHWGRBGIRHG-BBRMVZONSA-N 359.405 2.678 0 50 FFAA COc1ccc([C@@H]2CCN(C(=O)c3ccccc3NS(C)(=O)=O)C2)cc1 299579403 KVSINGCDBBPWRV-OAHLLOKOSA-N 374.462 2.696 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)N[C@H](c1nccn1C)C1CC1 534657447 ONGMRQNGWRAHNS-SFHVURJKSA-N 364.453 2.899 0 50 FFAA C[C@H](NC(=O)N(C)Cc1nnc(-c2ccccc2)o1)C1CCN(C)CC1 534659590 OPXICOADNRWHDR-AWEZNQCLSA-N 357.458 2.608 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 670468901 YUSVKBHWCPRTFX-FQEVSTJZSA-N 370.449 2.760 0 50 FFAA COC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)ccc1F 953122118 LDXSVQJMHMWWPA-KBPBESRZSA-N 367.417 2.945 0 50 FFAA COc1cc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)c(OC)cc1C 952962338 DQFWRVANCWNKGM-CQSZACIVSA-N 357.472 2.592 0 50 FFAA C[C@H](CN(C)Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)N1CCOCC1 952975407 NIFNAUYLJQLUTL-OAHLLOKOSA-N 370.449 2.770 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@@H]3C)c2n1 170597606 HQHLJVQOKKLSMB-HNNXBMFYSA-N 367.428 2.523 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1ncc(Cl)n1C 275453422 JDTGFQLBZLDZNK-STQMWFEESA-N 371.913 2.883 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCc1cccnc1N(C)C 408470135 ZXVRNUSLSYFNGP-VQIMIIECSA-N 352.482 2.532 0 50 FFAA NS(=O)(=O)c1ccc(-c2noc(C3(c4cccc(F)c4)CCC3)n2)cc1 170609045 PTGOWKJSWHRPEU-UHFFFAOYSA-N 373.409 2.993 0 50 FFAA CC1(C)COCCN1CCNC(=O)c1cnc(-c2ccccc2F)s1 170866712 VIACGYOUVWYRPF-UHFFFAOYSA-N 363.458 2.790 0 50 FFAA CCOCCOCCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 188445514 OJERVVIEKHKTGR-UHFFFAOYSA-N 351.834 2.855 0 50 FFAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Cn2cncn2)CC1 188926373 GAHOKQPVXBWQPL-UHFFFAOYSA-N 351.414 2.612 0 50 FFAA O=C(c1cncc(Cl)c1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615936316 RRBPXPYKSJLZLL-ROUUACIJSA-N 357.841 2.633 0 50 FFAA CCCn1nc(C)cc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2OC)C1 1506412249 AOTLBIKLCYYXMN-INIZCTEOSA-N 370.453 2.597 0 50 FFAA CC1=CC2(CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)OCC1 1704343965 LUYQQGIPCZFNLQ-MRXNPFEDSA-N 358.413 2.979 0 50 FFAA CCC[C@]1(C(=O)O)CN(c2cc(C)c3ccc(OC)cc3n2)CC[C@@H]1O 1772712383 LQFWIEOYKMPTRJ-PXNSSMCTSA-N 358.438 2.994 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccnc3OC)C2)cc1F 11814371 YBAMHZXVVTVTQY-CQSZACIVSA-N 372.396 2.973 0 50 FFAA COc1ccc(Cn2cc(C(=O)N[C@H](C)Cc3ccsc3)nn2)cc1 12073680 GQMXGYJLRKLBKL-CYBMUJFWSA-N 356.451 2.758 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCCC1)C2)c1ccco1 12282083 GFZDBOIZNPMRTH-LLVKDONJSA-N 373.434 2.746 0 50 FFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C 14732750 BLSXTYVUHJJKRL-QGZVFWFLSA-N 367.534 2.822 0 50 FFAA CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCCC1 16652061 WEAMCCXYJPUQHH-UHFFFAOYSA-N 356.513 2.721 0 50 FFAA O=C(c1ccccc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777518 ZGSBMPKXQBSNMC-UHFFFAOYSA-N 364.409 2.683 0 50 FFAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1ccc(F)cc1Cl 220391274 LVAMSJWPACHSOB-HOMQSWHASA-N 364.808 2.574 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCO[C@]2(CCN(CC3CCC3)C2)C1 1857683388 RPBBCFJDQCWOCG-QFIPXVFZSA-N 368.477 2.533 0 50 FFAA COc1ccnc(N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)n1 1857720152 GUCQMUQDPNJMRK-OWCLPIDISA-N 360.845 2.765 0 50 FFAA CN1CCN(c2ccc(NC(=O)C[C@@H]3CCOc4ccccc43)nc2)CC1 117757897 PAZDJRCRJMTSDK-INIZCTEOSA-N 366.465 2.728 0 50 FFAA C[C@H](CC(=O)Nc1cnn(C)c1C(N)=O)c1ccc(C(F)(F)F)cc1 1875322804 IRDYVWUGKVIWBS-SECBINFHSA-N 354.332 2.670 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(Nc2ccccn2)CC1 1875314779 RWOLCLDISIBVMC-KGLIPLIRSA-N 369.469 2.554 0 50 FFAA COC(=O)/C=C/C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 1875379377 RZPBHAIDMSNGDD-CMDGGOBGSA-N 363.801 2.856 0 50 FFAA C=CC(=O)NC[C@H]1CC[C@H](NC(=O)COc2c(C)cc(C)cc2C)CC1 1875383042 DEZOFPKSRTYCEV-IYARVYRRSA-N 358.482 2.968 0 50 FFAA O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](CCO)CC1 331645935 JLNNKCZTVTYXRB-SNVBAGLBSA-N 368.318 2.684 0 50 FFAA Cc1nc2c(C(=O)N(C)Cc3cc(-c4ccccn4)no3)ccnc2n1C 2100539819 ZQTDVFMBOPIOCD-UHFFFAOYSA-N 362.393 2.599 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1nnn(-c2cccc(OC)c2)c1C 11690179 JWAULRCNCRNOHL-UHFFFAOYSA-N 366.377 2.623 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1 2325890013 RFYPBYXXVBSRLA-UHFFFAOYSA-N 368.414 2.846 0 50 FFAA COc1ccc(-c2onc(N3CCC[C@@]4(CCNC4)C3)c2C(=O)O)cc1 2356136442 UXKXALPJDWIUJA-IBGZPJMESA-N 357.410 2.628 0 50 FFAA COc1cc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc2c1OCO2 2356152518 NIWBCNHAFUTBTQ-FQEVSTJZSA-N 358.438 2.543 0 50 FFAA Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)C)cc1 4803748 KLRCGSYAGMCJBG-LGMDPLHJSA-N 357.479 2.505 0 50 FFAA Cc1nc2c(C(=O)N[C@@H](c3nccn3C)C3CCOCC3)cccc2o1 225485624 GDHYIUYZBOYYEG-MRXNPFEDSA-N 354.410 2.767 0 50 FFAA Cc1cc(C)cc(-n2ccnc2S(=O)(=O)Cc2nc(C(C)C)no2)c1 171455710 JREQXBWVPFYIRP-UHFFFAOYSA-N 360.439 2.969 0 50 FFAA Cc1c(C(=O)N2C[C@H]3CC[C@H]2C3)sc2ncnc(NCCN(C)C)c12 101650451 DXRIULUREPQYAX-STQMWFEESA-N 359.499 2.598 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)s1 20599201 GWSQOJLOHIMNHA-IBGZPJMESA-N 365.587 2.798 0 50 FFAA C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1cn2ncsc2n1 67739621 KDQHVNGORGMHQX-NSHDSACASA-N 368.422 2.584 0 50 FFAA Cc1cc(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)n[nH]1 67787946 NDFKROXHQCQEMP-UHFFFAOYSA-N 363.377 2.763 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 23372819 VREVTKKPVCJFRY-FXVWLTTGSA-N 357.498 2.938 0 50 FFAA CCc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)o1 20448699 LLWOZACAFTUASV-IBGZPJMESA-N 363.546 2.583 0 50 FFAA COc1ncc(C(=O)NCc2cccnc2Oc2ccccc2C)cn1 67804186 YZWJWQFGPKJWCE-UHFFFAOYSA-N 350.378 2.911 0 50 FFAA O=C([C@@H]1C[C@]12CCOc1ccc(Cl)cc12)N1CCC(n2ccnn2)CC1 328607968 XUSNEDFQGIKUJK-LPHOPBHVSA-N 372.856 2.835 0 50 FFAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 328640957 XRIYSVNTBFYWFL-CYBMUJFWSA-N 371.865 2.700 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 67954639 HUYHELKGRMZEKC-SFHVURJKSA-N 353.422 2.780 0 50 FFAA COc1cccc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)n1 171824180 CLACREVHBRSWQK-UHFFFAOYSA-N 355.438 2.950 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cnn1-c1ccccn1 12297797 GLIWTETYIOVVCN-LBPRGKRZSA-N 350.378 2.795 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1C 67602190 BSTNXWHWKZIOBY-GOSISDBHSA-N 366.527 2.932 0 50 FFAA CCNc1cc(NCCNC(=O)c2ccc(F)cc2Cl)nc(C)n1 67604878 CBQOGMPYUYYXIG-UHFFFAOYSA-N 351.813 2.851 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1cnccn1 67490940 NABWVIIAMHGXFU-UHFFFAOYSA-N 374.379 2.998 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)n1 219083066 CBDFPRNGDSPDPU-ZDUSSCGKSA-N 372.473 2.784 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 121591367 ZJFYDXBMTIJTDA-KUHUBIRLSA-N 357.479 2.928 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@](C/C=C/c2ccccc2)(C(=O)O)C1 71730229 JUYQDTBGCSVJMW-VPVJOJIASA-N 366.417 2.785 0 50 FFAA COc1ccc(CCCNC(=O)c2cc(=O)n(C)c3ccccc23)cc1 215770571 MRLSMCPEJZBHKQ-UHFFFAOYSA-N 350.418 2.910 0 50 FFAA CC(=O)N1CCc2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2C1 77505400 BIULINCRBYTBCS-CQSZACIVSA-N 358.463 2.631 0 50 FFAA O=C(N1CCC[C@@H](c2nnc3n2CCC3)C1)C1(c2cccnc2)CCCC1 486322594 VKFNTCGNSXWWBQ-MRXNPFEDSA-N 365.481 2.837 0 50 FFAA Cc1ccc(NC(=O)c2ccnc(C(=O)O)c2)c(OC[C@H]2CCCO2)c1 262619939 MQRRHEWIMADBIH-CQSZACIVSA-N 356.378 2.898 0 50 FFAA CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1 77341265 SPLGHVXWZRECOD-NHCUHLMSSA-N 367.493 2.645 0 50 FFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C 172693822 HEWMGXWUKYOPOZ-ZDUSSCGKSA-N 357.454 2.993 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)Cc1cccc(Cl)c1 77285484 ZWNCLLPTEAHDFK-MRXNPFEDSA-N 358.891 2.551 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc[nH]2)CC1 77565122 RIZODZAKLXSQLS-UHFFFAOYSA-N 359.857 2.975 0 50 FFAA O=c1[nH]nc([C@@H]2CCCN(Cc3cccc(O)c3)C2)n1-c1ccccc1 71681618 KEEQGMPBNYNGJM-MRXNPFEDSA-N 350.422 2.646 0 50 FFAA O=C1CCN1c1ccc(NC(=O)N2CCc3ccccc3[C@H]2CO)cc1 333302166 MNVTYLJKZPNHJZ-GOSISDBHSA-N 351.406 2.547 0 50 FFAA CC[C@@H]1C[C@H](CC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)CCO1 333756217 OHEADEVPWWOCKO-KURKYZTESA-N 350.503 2.879 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@@]2(C(=O)O)CCOC2)c1 262977343 QMOXXTWPWAOUOI-FQEVSTJZSA-N 355.390 2.726 0 50 FFAA COc1ccnc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)c1OC 72146497 CPRUWHQAXJJNBI-LJQANCHMSA-N 354.450 2.550 0 50 FFAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 282772379 QYIHGONLYJTRAS-HQRZJTNHSA-N 369.387 2.775 0 50 FFAA CN1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccc(F)cc21 174450128 DOVDXSQFYNBZKG-UHFFFAOYSA-N 353.353 2.871 0 50 FFAA O=C(NCc1csc2c1CCCC2)c1cn(CC[C@H]2CCCCN2)nn1 77470298 MWSIWXOJUUWXJR-OAHLLOKOSA-N 373.526 2.681 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccccc2)nc1 238046626 CNGQIAIVNAIVTI-GOSISDBHSA-N 359.385 2.795 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 238005177 ZRZABGXLAYJBJG-GUYCJALGSA-N 372.808 2.635 0 50 FFAA Cc1ccc(C)c(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 284546847 HWUFRUCQQVDHLO-LAUBAEHRSA-N 354.498 2.779 0 50 FFAA CCC(CC)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 42815232 JYGUVGSEPYUFFL-UHFFFAOYSA-N 352.500 2.533 0 50 FFAA CN(Cc1nccn1Cc1ccccc1)C(=O)Cc1ccc(O)c(F)c1 221449711 RKQNTCVULVOGMI-UHFFFAOYSA-N 353.397 2.977 0 50 FFAA Cc1cnc(CNC(=O)c2cccc(-c3ccc(OC(C)C)nn3)c2)cn1 426479653 GFUMYHXYBNMLGG-UHFFFAOYSA-N 363.421 2.959 0 50 FFAA COc1cc(Cl)cc(CN2CCC[C@@H](N3CCOCC3)C2)c1OC 19836385 WJOVMQDZDLPOSA-MRXNPFEDSA-N 354.878 2.654 0 50 FFAA Cc1cccc(CNC(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)c1 426656815 BCQLYUKSCYFZIV-HXUWFJFHSA-N 358.530 2.697 0 50 FFAA COc1ccc([C@H](C(=O)O)N(C)Cc2cccc3cccnc23)c(OC)n1 95361201 ILMJWKLEOHHZFI-GOSISDBHSA-N 367.405 2.905 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 426739958 WLTYPQJCJQEHIJ-HNNXBMFYSA-N 367.457 2.684 0 50 FFAA Cc1nccn1CCC(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91604035 TUJSHZAMOQBHFG-UHFFFAOYSA-N 372.513 2.755 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCOC[C@H]3CO)cc2)c1 96165630 OHAGTFFDHQALQU-OAHLLOKOSA-N 358.394 2.713 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1)C2 91547639 BMBBSRMUSUODMD-RBUKOAKNSA-N 363.461 2.777 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(-n3cccn3)cc1)CC2 96151311 CIOZXADZYQBYBB-GOSISDBHSA-N 355.438 2.673 0 50 FFAA O=C(NCC1(c2ccc(F)cc2)CCOCC1)NO[C@@H]1CCCCO1 162332897 OQDWTTITVBJCGL-MRXNPFEDSA-N 352.406 2.631 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91416450 KBZRNWXJLHKMOX-VQTJNVASSA-N 366.509 2.959 0 50 FFAA CC(C)n1ccnc1C1CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1 95524851 NQZRYEPFQRNZLC-UHFFFAOYSA-N 371.485 2.865 0 50 FFAA Cc1noc(C)c1[C@@H](C(=O)O)N1CCN(C/C=C/c2ccccc2)CC1 95358643 XIXVVQMQJJIMQN-AIADIJKESA-N 355.438 2.748 0 50 FFAA Cc1cnn([C@@H]2CCCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)C2)c1 162984764 WTPDGULJKDQHNU-CQSZACIVSA-N 357.483 2.943 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H]1CCOc2ccccc2C1 95385031 JPPDBKRFCZVBIR-MRXNPFEDSA-N 373.474 2.608 0 50 FFAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCC(c2ccnn2CCO)CC1 181915762 YOLLXIHBACTOSM-OAHLLOKOSA-N 359.445 2.599 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(O)c2cccc(F)c2n1 253535337 UIAVMWHPESVTAT-IUUKEHGRSA-N 367.380 2.717 0 50 FFAA CC[C@@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccccn1 534583464 OGOXIMNVGYIIEY-LJQANCHMSA-N 368.481 2.939 0 50 FFAA CC(=O)c1cccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c1 268763270 IKTGXAJCQDCUJB-UHFFFAOYSA-N 356.447 2.939 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)N1CC[C@H](CN(C)C)C1 534656109 ZNESPLDIONMHGK-MRXNPFEDSA-N 355.482 2.984 0 50 FFAA O=S(=O)(NCc1ccccc1)Nc1ccc(CCN2CCCC2)cc1 72156460 DYTDETBIWDAAJU-UHFFFAOYSA-N 359.495 2.771 0 50 FFAA CN1C(=O)CCC12CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)CC2 299775659 GNDAUPVMYKHKMT-UHFFFAOYSA-N 354.372 2.861 0 50 FFAA CC(C)c1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)n(C)n1 299790549 BNLXTHCFBGJUDC-GOSISDBHSA-N 365.441 2.841 0 50 FFAA CCN(CC)c1ccc(-c2cccc(C(=O)NC[C@]3(O)CCNC3)c2)cc1 299802708 NRVCHTJPQLWBOV-QFIPXVFZSA-N 367.493 2.654 0 50 FFAA C[C@@H]1CN(C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1CN 1342739199 IIEAMCCOJKYWSC-OCCSQVGLSA-N 373.478 2.525 0 50 FFAA Cc1cc(C(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c2cc(F)ccc2n1 952974736 KDLLAOONAHYXTO-KRWDZBQOSA-N 373.472 2.847 0 50 FFAA Cc1ccc([C@@H](C(=O)NCc2ccc(C(=O)N(C)C)cc2)N(C)C)cc1 952984174 IQFKYPJIZIZEEQ-IBGZPJMESA-N 353.466 2.616 0 50 FFAA Cn1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c2ccccc21 1565525567 YNARSUSXLZXVMY-WMZOPIPTSA-N 371.462 2.739 0 50 FFAA O=c1cc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc2sccn12 275986383 OOHPSPBWUKRMTQ-HNNXBMFYSA-N 355.467 2.695 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CCN(c3ccccc3F)C1=O)CO2 185835812 IHSOXFXYQNWKSZ-DOTOQJQBSA-N 368.408 2.840 0 50 FFAA O=C(NCC1(N2CCCCC2)CCOCC1)c1ccncc1C(F)(F)F 192213677 YRCHDKCCZBDHBM-UHFFFAOYSA-N 371.403 2.865 0 50 FFAA Cc1nsc(N2CCCN(C(=O)c3ccncc3C(F)(F)F)CC2)n1 192224457 DTJFHBMLORHDSL-UHFFFAOYSA-N 371.388 2.613 0 50 FFAA CN(C)c1noc([C@H]2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)n1 194485843 KTDPGWJYQWCYKW-JGUIRARASA-N 358.486 2.914 0 50 FFAA O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)[C@@H]1CSCCS1 766996063 GGZCFRJUODIGCX-PMPSAXMXSA-N 354.493 2.753 0 50 FFAA OC[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H]1O 1615735514 TUUYWUJADNJEOD-YJBOKZPZSA-N 369.490 2.776 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]2CC1=O 1529139857 WKTCLHQEOGLQEJ-HZSPNIEDSA-N 370.371 2.914 0 50 FFAA CC(=O)Nc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc1 216172664 GAKJTHVVKGBAQE-QUCCMNQESA-N 355.482 2.868 0 50 FFAA CO[C@@H]1C[C@H](C(=O)N(C)CCCOc2cccc(Cl)c2)CC[C@@H]1O 1704316319 XUVHMEBHQJWEGE-XOKHGSTOSA-N 355.862 2.743 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775983499 MMLPYSJXJNDCBZ-FQEVSTJZSA-N 353.422 2.578 0 50 FFAA CCCN1C[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@]2(CCC(=O)O)C1 1772705659 VCRWDKFUMJJGPL-DNVCBOLYSA-N 352.425 2.973 0 50 FFAA COCCSc1nnc(C2CCN(Cc3ccsc3)CC2)n1C 11815636 PKXGOVLKALSNGG-UHFFFAOYSA-N 352.529 2.995 0 50 FFAA COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccccc1 12274359 QIRKZRCUYARIJF-LBPRGKRZSA-N 355.423 2.790 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 13692134 GKSMPWWKWVJNOI-UHFFFAOYSA-N 363.417 2.775 0 50 FFAA CN1CCC(CN(CCc2ccccc2)C(=O)CCc2cnn(C)c2)CC1 14957406 UJNDXRCJURTTJD-UHFFFAOYSA-N 368.525 2.766 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cn(C3CCCCC3)nn2)C1 14977195 JMBNUKLOLSASLS-OAHLLOKOSA-N 367.453 2.913 0 50 FFAA CC[C@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCC1)C2 14997160 WVZQHXMTUISHHL-NWDGAFQWSA-N 363.483 2.885 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)c4ccccc4Cl)nnc3c2)n1 169776148 PSAJDJXEQIZRCF-UHFFFAOYSA-N 368.784 2.671 0 50 FFAA O=C(c1cn2ccccc2n1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857679783 VIERDIIZBGUCMO-KPLVRAHFSA-N 361.445 2.933 0 50 FFAA CC(C)c1ccc(-n2cc(CN3CC[C@@]45OCCN4C(=O)C[C@@H]35)cn2)cc1 1857738139 SNKTVYJOFFABIF-CTNGQTDRSA-N 366.465 2.529 0 50 FFAA COc1ccc(C)cc1N1C[C@H](c2nc(C3CCOCC3)no2)CC1=O 113753769 FGYOQQOKWXSQGY-CQSZACIVSA-N 357.410 2.801 0 50 FFAA C[C@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 131663896 JPMLQWYIXZSRPW-QWHCGFSZSA-N 350.488 2.932 0 50 FFAA O=C(Cn1cccn1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302959 FSBUKCGUUKHEHV-JOCHJYFZSA-N 373.460 2.847 0 50 FFAA C[C@H]1C[C@H](NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CCS1 931697631 XQVBXTLLFUMTSR-DTWKUNHWSA-N 350.366 2.823 0 50 FFAA Cc1sc2nc(CN3CCCC3)nc(N(C)[C@H](C)CC(N)=O)c2c1C 1875275934 RPGHAXQYVAVNFI-LLVKDONJSA-N 361.515 2.604 0 50 FFAA CCc1occc1C(=O)N(C)C[C@@H]1CCCN(c2nc(C)cc(OC)n2)C1 1875312517 NGSFIZFUHZDBTO-HNNXBMFYSA-N 372.469 2.938 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nnc(C)o3)[C@H]2C)c1 1875366864 OBNVGMALBPCCIY-MLGOLLRUSA-N 354.410 2.911 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2ccsc2Br)C1 331762855 BKONUSUAYIXHBK-VIFPVBQESA-N 355.261 2.659 0 50 FFAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC(C(N)=O)CC3)cc12 795110 HBSSHFKFYZKOHJ-UHFFFAOYSA-N 368.462 2.733 0 50 FFAA Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1 2998955 OYFBAGUHMQXOJV-UHFFFAOYSA-N 358.419 2.894 0 50 FFAA CC(C)n1cc(-c2ccccc2)nc1NC(=O)c1nn(C)c2c1CNCC2 2325792281 SJIRESWUMBWLKI-UHFFFAOYSA-N 364.453 2.763 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@H](C)c1cccc(-c3nn[nH]n3)c1)O2 2325843074 SXBLPQGTGNPKOH-ACJLOTCBSA-N 363.421 2.746 0 50 FFAA COc1ccccc1-n1cnc(C(=O)N2CC[C@@H](CN)c3ccccc32)c1 2325858355 KDURSFJTYGSCRX-HNNXBMFYSA-N 362.433 2.974 0 50 FFAA C[C@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1COc2ccccc2C1 903048318 MAQBXLHXWRHTMB-HSQYWUDLSA-N 366.505 2.983 0 50 FFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1148504 NWPIXGGXFADFGQ-UHFFFAOYSA-N 372.368 2.931 0 50 FFAA COCCn1c(CN2CCCC2)cnc1S(=O)(=O)C1CCCCCC1 12444832 JHTVLELFCXQAFM-UHFFFAOYSA-N 369.531 2.622 0 50 FFAA O=C(OCc1ccco1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100648685 OTAIBVOSMCORKG-DFEHZGFQSA-N 363.369 2.948 0 50 FFAA CC(C)(C)NC(=O)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67674783 BSIFRVRVCUUEHZ-AWEZNQCLSA-N 372.444 2.837 0 50 FFAA CN(CCCn1cnc2sc3c(c2c1=O)CCNC3)c1ccccc1 65370657 FVFIJOALIIISLE-UHFFFAOYSA-N 354.479 2.630 0 50 FFAA CN(C(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)O)C2)c1)c1ccccc1 136127093 PQXAMQQMPLRCQV-KRWDZBQOSA-N 366.417 2.900 0 50 FFAA Cc1cc(NC(=O)Cn2cc(-c3cncnc3)cn2)n(-c2ccccc2C)n1 23542920 KJYCGHAEFZCOHT-UHFFFAOYSA-N 373.420 2.781 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCN(c2ccccc2)C1=O 12303885 ODGFTRHSBZBDOG-SFHVURJKSA-N 360.417 2.542 0 50 FFAA Cc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccsc2)CC1 143871507 REURVPMKULIVBR-UHFFFAOYSA-N 357.479 2.889 0 50 FFAA CCOC(=O)c1cnc(Nc2nc(-c3ccc(OC)cc3)cs2)[nH]c1=O 1384546 SYBKYBQHDXEXGL-UHFFFAOYSA-N 372.406 2.822 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cc3ccccc3n(C)c2=O)n1 215880463 VSYCKDXJQYEISM-LBPRGKRZSA-N 354.410 2.611 0 50 FFAA O=C1C[C@@H](NC(=O)c2cn(C3CCCCCC3)nn2)c2ccccc2N1 72159021 FRCFVDYEJKHUFC-MRXNPFEDSA-N 353.426 2.987 0 50 FFAA COc1cccc(C)c1C(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72152030 HSKCGVYMNVZDJE-KRWDZBQOSA-N 370.424 2.716 0 50 FFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 363618218 WHPCNGBUMMLDPO-JTQLQIEISA-N 370.356 2.800 0 50 FFAA COc1cc(NC(=O)CN2CCC(O)(c3ccccc3)CC2)cc(OC)c1 185517642 ZUEOWMFBVZYTDW-UHFFFAOYSA-N 370.449 2.626 0 50 FFAA Cn1cnnc1C1CCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 155789387 OUPVDMDFDASXLJ-MRXNPFEDSA-N 355.442 2.618 0 50 FFAA CCN(CC)CCNc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F 214082357 FKDBMSYLYCPILF-UHFFFAOYSA-N 367.396 2.752 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)c(OC)c1 218833596 JVZKILPUJXLDKO-IEBWSBKVSA-N 363.454 2.503 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)Cc1cnc(N2CCOCC2)s1 72144570 GBFKDGWSOBXZKX-UHFFFAOYSA-N 369.494 2.797 0 50 FFAA CCN(Cc1cc(CN2CCCCC2)cs1)[C@H]1CCS(=O)(=O)C1 216505385 KWUXIGJXYWTAGI-INIZCTEOSA-N 356.557 2.743 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[C@@]4(C(=O)O)C3)cc2)n1 374119268 JKCLIQDQRAAGOO-OXQOHEQNSA-N 353.422 2.816 0 50 FFAA CCN(C(=O)NCc1ccc(-n2ccnc2)nc1)[C@H]1CCOC(C)(C)C1 378111426 MLJQNRKKZARGGV-INIZCTEOSA-N 357.458 2.756 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)cc(=O)[nH]1 72431490 QDMJXLLOMLNVGJ-OAHLLOKOSA-N 367.478 2.976 0 50 FFAA CCC1(CNC(=O)N[C@@H](C)c2nc[nH]n2)CCN(Cc2ccccc2)CC1 378527810 XJNXTIIWKPPGFR-INIZCTEOSA-N 370.501 2.857 0 50 FFAA Cc1ccc(-c2nnc(CCC(=O)NCCOc3cccnc3)o2)s1 82039406 BWISZTOSGRXQDX-UHFFFAOYSA-N 358.423 2.629 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1scc2c1OCCO2 220193146 SLSLALCVGHFTEZ-CQSZACIVSA-N 355.419 2.887 0 50 FFAA NCCCOc1cc(Cl)ccc1C(=O)N1CCC(c2cc[nH]n2)CC1 426503421 FJNKPRZCRYIMDV-UHFFFAOYSA-N 362.861 2.811 0 50 FFAA Cc1cn2cc(C(=O)NCCc3csc(-c4ncccn4)n3)ccc2n1 82134206 JZOPOZCNWKIHPB-UHFFFAOYSA-N 364.434 2.529 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C)CC1 82107900 IFCMWMXGCCRBGQ-CQSZACIVSA-N 367.896 2.967 0 50 FFAA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 236702958 LBCDLKXXRPZFQB-BSEYFRJRSA-N 351.468 2.920 0 50 FFAA COc1cccc(CCNC(=O)[C@H]2COc3c(cccc3OC)C2)c1OC 95356977 LTPCJQNYTYIMOG-MRXNPFEDSA-N 371.433 2.622 0 50 FFAA C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1cn2ncsc2n1 91724597 GBIAAXWMBBDQRB-NSHDSACASA-N 365.418 2.637 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1C 239203295 SCAIPAYRKDAVHM-BUJXUYPKSA-N 364.445 2.685 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3cccc(F)c3n1)C2 91636914 RRRKVURPTWFBBA-DZGCQCFKSA-N 370.428 2.592 0 50 FFAA Cc1nc(C2CCN(C(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)n[nH]1 426478924 LVOQHTKOMRVJGD-UHFFFAOYSA-N 363.421 2.901 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)Nc2cccc(CCC(=O)N(C)C)c2)n1 426389524 WTSGCKFESRDUHL-HNNXBMFYSA-N 371.485 2.731 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1c(C)n(C)c3ccc(O)cc13)C2 91933206 FGHVTFZCHWDEGD-LSDHHAIUSA-N 369.465 2.665 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)cn1 95376276 KHJWBKFBZQVANN-AWEZNQCLSA-N 368.466 2.506 0 50 FFAA Cn1nc(C(=O)N2CCC(OCc3cccnc3)CC2)c2c1CCCC2 95385048 JKAQAWAQUHMRTI-UHFFFAOYSA-N 354.454 2.515 0 50 FFAA CN1CCN(CCCNC(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 96138264 CBCWTLODCWRROX-UHFFFAOYSA-N 369.469 2.633 0 50 FFAA COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)ccc21 237133556 DNJRURBMFYDANP-MRXNPFEDSA-N 358.438 2.841 0 50 FFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 97062833 LATQVWCYMOGPKT-WQVCFCJDSA-N 358.413 2.669 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CC[C@H]2NCCC[C@]2(CO)C1 91636159 QZLJYWAYUOAUQN-XMSQKQJNSA-N 369.509 2.599 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)cc1F 95517922 NHJZQMSQQNDHDS-GOSISDBHSA-N 360.385 2.898 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCC(=O)NC)CC2)C1 91965038 ICXLAOWRLSDXHN-LJQANCHMSA-N 371.525 2.631 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@@H]1c1cccc(F)c1 97505188 SQEOVSAKSDWIQI-GOSISDBHSA-N 364.380 2.529 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cc(=O)n(-c2ccccc2)[nH]1 97636581 ABBDZXJQGOFVQN-HNNXBMFYSA-N 363.417 2.537 0 50 FFAA COc1ccc(C)cc1NC(=O)CCN1CCCN(C(=O)C2CCC2)CC1 244788108 QJMPORWOBWKRAT-UHFFFAOYSA-N 373.497 2.667 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N[C@H]3C[C@H](c4cc(O)ncn4)C3)nc2c1 253535506 XTTITTZCTSICCL-HAQNSBGRSA-N 369.450 2.521 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1C(=O)O 299745973 UJXHABYGZMRSND-INIZCTEOSA-N 361.781 2.667 0 50 FFAA CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 299712248 UHBMKVNXWBYTFQ-DFQSSKMNSA-N 371.525 2.786 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)NCCc3cccn3C)C2)c1 534591368 VYPJJHLFIYSUHN-OAHLLOKOSA-N 357.454 2.784 0 50 FFAA Cc1cc(C)c(NC(=O)CCN2CCC3(CC2)CNC(=O)O3)c(Cl)c1 299799487 SQRHHCMBMPDPHC-UHFFFAOYSA-N 365.861 2.860 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CC[C@H](NC(C)=O)C3)c2)c(OC)c1 299772711 AQVOCYVPAHSQGO-KRWDZBQOSA-N 368.433 2.721 0 50 FFAA CCc1ccccc1OC1CN(C(=O)NC[C@H]2CC[C@H](C(=O)NC)CC2)C1 670446562 VCBJQKVYTWDTBO-JCNLHEQBSA-N 373.497 2.574 0 50 FFAA O=C(COc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565509125 WRWXONQQQJURPF-MJGOQNOKSA-N 351.450 2.583 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(Cc4coc(C)n4)CC[C@@H]32)o1 1565530809 KXWHSRGUQZNMBO-APWZRJJASA-N 357.454 2.940 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1cc2ccccc2o1 1565511440 UCNUMNWJAXYQQA-WMZOPIPTSA-N 352.390 2.932 0 50 FFAA CCN(CCSc1ccc(C)cc1)C(=O)Cc1c(C)nc(O)nc1O 952978961 UKZFOFWDWRNUKG-UHFFFAOYSA-N 361.467 2.688 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)c[nH]1 952991836 WGGOVPNQFHBSLF-UHFFFAOYSA-N 367.493 2.939 0 50 FFAA COc1ccc(NC(=O)c2nc3cc(C)ccn3c2F)cc1C(=O)N(C)C 952992335 ZYRAEOSDBJSNHS-UHFFFAOYSA-N 370.384 2.745 0 50 FFAA Cn1nccc1CCC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278438129 OYYQMPMBCKXFLX-NSHDSACASA-N 355.364 2.501 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CC[C@@H](N3CCCC3)C2)CC1 171057333 JDMIVNAQYYGMSC-GOSISDBHSA-N 372.513 2.544 0 50 FFAA Cn1ccnc1CN(C(=O)c1cc2ccccc2o1)[C@@H]1CC12CCNCC2 275540399 DMPACRNEKZHQGS-GOSISDBHSA-N 364.449 2.951 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)cc(O)n1 275645679 KIWHEJFDELMQBN-HNNXBMFYSA-N 372.494 2.679 0 50 FFAA COc1cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)ccc1OC(C)C 1615733901 UVZWNANYFRSISX-ROUUACIJSA-N 370.449 2.865 0 50 FFAA CCc1nccn1CCC(=O)N(CCO)CC12CC3CC(CC(C3)C1)C2 1506402422 ORORYYDSDUFSLR-UHFFFAOYSA-N 359.514 2.873 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)Cn1nc(C)c2ccccc2c1=O 1506417080 KWORDVKFGHICSN-UHFFFAOYSA-N 365.437 2.964 0 50 FFAA O=C1CCN(C[C@@H]2CCOC2)CCN1Cc1ccc(C(F)(F)F)c(F)c1 1506427373 XTPSCLVZUBPSHV-AWEZNQCLSA-N 374.378 2.915 0 50 FFAA Cn1nc(CNc2nccc(N3CCC[C@H](O)C3)n2)c2c(Cl)cccc21 1704340426 IHRNRAGYVDPTJP-LBPRGKRZSA-N 372.860 2.590 0 50 FFAA CCNC(=O)c1ccc(N2CCC[C@@H](c3nc(CC(C)C)no3)C2)nc1 1704313608 JJPVCZODCYZPKW-OAHLLOKOSA-N 357.458 2.797 0 50 FFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3OC)C[C@@H]21 1704344061 NDHUUUIKJAIJDE-HACGYAERSA-N 373.902 2.910 0 50 FFAA Cc1nc[nH]c1CN(CCO)C(=O)c1cccc2c3c([nH]c12)CCCC3 1704332462 XHAHGZWYJIIXNA-UHFFFAOYSA-N 352.438 2.713 0 50 FFAA COc1ccc(-c2onc(NC[C@H]3CCCN(C(C)=O)C3)c2C(=O)O)cc1 1772704157 GJWONIIFTNOWHS-CYBMUJFWSA-N 373.409 2.719 0 50 FFAA Cc1nonc1CC(=O)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12053945 DDJNCGQTLSVHRM-FQEVSTJZSA-N 357.454 2.545 0 50 FFAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2cnsn2)CC1 12314347 BGYIWBCCNQTJOX-UHFFFAOYSA-N 372.494 2.829 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2c[nH]cn2)C1 12317035 XPUSNCZDPSHQRE-FQEVSTJZSA-N 357.454 2.806 0 50 FFAA OC[C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 12572632 NEMAEYUNGWETMW-CYBMUJFWSA-N 355.360 2.884 0 50 FFAA COc1ccccc1CN1C(=O)O[C@@H]2CN(C(=O)NC3CCCCC3)C[C@@H]21 14979626 KWIGMSQGCZFHGD-FUHWJXTLSA-N 373.453 2.743 0 50 FFAA CCN(C)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 15078249 DHJIWPNDBAHGIC-INIZCTEOSA-N 370.497 2.987 0 50 FFAA CC(C)=CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CCO 19794844 SAKVNMYBPWBOPB-NRFANRHFSA-N 372.488 2.846 0 50 FFAA O=C(c1ccncc1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 19952201 AWNPIEQFQSZQAC-HXUWFJFHSA-N 350.466 2.851 0 50 FFAA Cc1cc(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)ccn1 1857672210 CBDZYANANPXSKG-INIZCTEOSA-N 365.437 2.849 0 50 FFAA CN(C)CCNC(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857699669 YINWJYQNTFNOFB-CYBMUJFWSA-N 364.877 2.766 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857715649 BGPYRMSTMSEAOQ-TZDHZFECSA-N 358.265 2.974 0 50 FFAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(=O)n(C)n1 408087265 ARWUKZRPKUHTJQ-VIFPVBQESA-N 352.221 2.847 0 50 FFAA O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CC[C@@H](Oc2ccccn2)C1 330063534 QDTVKCOWFGBXSV-GOEBONIOSA-N 358.825 2.966 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)c1ncn(C)n1 440728364 MFIFXPDHXCHIAS-LBPRGKRZSA-N 372.860 2.821 0 50 FFAA OC[C@@H]1CCCN(c2cc(N3CCCc4ccccc4CC3)ncn2)C1 333740861 VTYMSFJWPJDLOI-QGZVFWFLSA-N 352.482 2.681 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@@H]1COc2ccc(Cl)cc2C1 363398859 PUEYHQJFZCWORW-XJKSGUPXSA-N 361.829 2.905 0 50 FFAA O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2nccs2)C1 369966722 FCMURWFWVHPYMB-LLVKDONJSA-N 369.368 2.831 0 50 FFAA CN(C(=O)c1cnc(Cl)nc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1857779013 BSWSBVLFSWKWSP-CYBMUJFWSA-N 368.865 2.992 0 50 FFAA O=C1CCc2cc(-c3csc([C@H]4CCS(=O)(=O)C4)n3)c(F)cc2N1 871600033 ZKYOTPMOCXHFQO-JTQLQIEISA-N 366.439 2.736 0 50 FFAA CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccccc1)C(C)(F)F 1875295667 NKDXHVRIHQAECO-ZFWWWQNUSA-N 374.453 2.502 0 50 FFAA CN(C)[C@@H]1CCN(c2ncnc3c2cnn3Cc2cccc(Cl)c2)C1 1875306962 RBLKEJPGZTYFBB-OAHLLOKOSA-N 356.861 2.668 0 50 FFAA CN(C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ncccc1F 1875379169 NYITXLNCYVDJNS-HAQNSBGRSA-N 352.410 2.670 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cncn1C 886051621 WVANUIKNDPMFLG-QFBILLFUSA-N 351.454 2.714 0 50 FFAA Cc1ccccc1-n1cc(S(=O)(=O)NCc2cnc(C(C)(C)C)[nH]2)cn1 2325858720 YIXFFPQFGNIMFO-UHFFFAOYSA-N 373.482 2.680 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3ccc(OC)cc3)CC2)C1 2325888716 SRWMEKDAAIVIFF-GOSISDBHSA-N 356.466 2.826 0 50 FFAA Cc1ncsc1-c1ccc(CN[C@@H]2CCN(c3cc(O)ncn3)C2)cc1 898151377 MGOQGSGIWTVBDO-MRXNPFEDSA-N 367.478 2.983 0 50 FFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 1111715 SQJRGOKRPIEFTO-UHFFFAOYSA-N 362.407 2.541 0 50 FFAA COc1ccc(C(=O)CSc2nc(C)c(C(C)=O)cc2C(N)=O)cc1 1121009 IZSAFFFAMGKNGP-UHFFFAOYSA-N 358.419 2.675 0 50 FFAA Cc1cccnc1NC(=S)NC(=O)c1cncc(Br)c1 1126671 ZRPIMPQECBWNSW-UHFFFAOYSA-N 351.229 2.674 0 50 FFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OC 3893169 PAESGCKGPRVUFG-SFHVURJKSA-N 367.405 2.970 0 50 FFAA Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 4983199 MXTQZROFJUPORA-UHFFFAOYSA-N 368.506 2.874 0 50 FFAA COc1ccc(-c2noc(COc3ccc4c(c3)CCC(=O)N4)n2)cn1 109586898 WJVLFSFUXOHPHK-UHFFFAOYSA-N 352.350 2.604 0 50 FFAA Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c2c(C)nn(C)c2n1 59361237 MKVTVYPMJMWMGI-UHFFFAOYSA-N 361.409 2.931 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 225436666 XFUCACKIMWFIBN-KOLCDFICSA-N 369.336 2.923 0 50 FFAA CCc1nc(CCNS(=O)(=O)c2ccc(OC)c(Cl)c2)cs1 102413334 RYZQZPPBIIIRRG-UHFFFAOYSA-N 360.888 2.889 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccc(F)cc2)cc(N2CCCC2)n1 65363034 WMHQLMJBDBAYQC-UHFFFAOYSA-N 358.421 2.758 0 50 FFAA COc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1F)NC(=O)CC2 463786132 GWNYPCSTIRYVQL-UHFFFAOYSA-N 368.361 2.659 0 50 FFAA Cc1ccc(F)c(NC(=O)CCC(=O)N[C@H](C)Cn2nc(C)cc2C)c1 55254084 XRADGFQAZDXFLJ-CQSZACIVSA-N 360.433 2.871 0 50 FFAA Cc1cccnc1CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 67673434 RZWHFJOCWCJAJC-QFIPXVFZSA-N 373.541 2.846 0 50 FFAA CN(CCC(=O)Nc1cccc(F)c1)C[C@H]1CC(=O)N(C2CCCC2)C1 65425754 OAJFAQNKUXEYRR-OAHLLOKOSA-N 361.461 2.877 0 50 FFAA O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@@](O)(C(=O)O)C1 307618053 SITJORSMOALLHK-NRFANRHFSA-N 367.401 2.847 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 13523515 OYPPJMLKAYYWHH-JDZIRQPPSA-N 368.470 2.545 0 50 FFAA in-vitro CC(C)c1ccc(CN2CCC[C@](O)(CN(C)Cc3ccno3)C2=O)cc1 67586926 CMELTFDGWZFJQN-NRFANRHFSA-N 371.481 2.784 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCNCC1 67821556 UBSMUSDGARLSTF-GOSISDBHSA-N 352.482 2.724 0 50 FFAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)Cc2ccc(F)cc2)c(C)[nH]1 252523105 BWSAZNWPOOKZED-HXUWFJFHSA-N 373.472 2.673 0 50 FFAA CCc1nnsc1C(=O)NCC1CCN(Cc2cccs2)CC1 145769577 NUOBOLSVMRQBMS-UHFFFAOYSA-N 350.513 2.804 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)cc1C 67757578 OXUKEUFTALLMPT-HSZRJFAPSA-N 366.505 2.989 0 50 FFAA CN(Cc1ccnn1C)C(=O)c1ccnn1COc1ccccc1Cl 2800564 NIMQAWOAHUYCNZ-UHFFFAOYSA-N 359.817 2.579 0 50 FFAA CN(C)c1ccccc1-c1cc(C(=O)O)cc(S(=O)(=O)NC2CC2)c1 72140179 OVIZXEQGIWOXQF-UHFFFAOYSA-N 360.435 2.559 0 50 FFAA Cc1cc(C)cc(CN2CCN(c3nc(C)nc4onc(C)c34)CC2=O)c1 77323269 KJEAPGHFZKZFSD-UHFFFAOYSA-N 365.437 2.700 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=S)N(C)Cc2cnn(C)c2)s1 6708383 PPJUPFJSPHYANC-UHFFFAOYSA-N 352.485 2.659 0 50 FFAA CCCCn1c(O)nc(=O)c2c1nc(CN1CC[C@@H]3CCCC[C@H]3C1)n2C 253530825 ZTCWNAJGRKEFRZ-GJZGRUSLSA-N 373.501 2.648 0 50 FFAA O=C([C@H](O)c1cccnc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 363404707 OJEFFLNMUCVRKL-QGZVFWFLSA-N 364.405 2.571 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)cc(O)n1 328637775 OUFZDXJTHFKIIT-INIZCTEOSA-N 369.469 2.663 0 50 FFAA CN1CCCC[C@H]1C(=O)N1CCC(CCOc2ccccc2)(C(=O)O)CC1 71765119 UANTZYGEJSADAO-SFHVURJKSA-N 374.481 2.633 0 50 FFAA CC(C)(CO)[C@H](CNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 152562751 UVPXTUDWZWFVRE-GOSISDBHSA-N 364.449 2.799 0 50 FFAA O=C(c1c(Cl)nc2ccccn12)N1CC[C@@H](c2nc(C3CC3)no2)C1 375577701 LBMMXJRZFSHVJT-LLVKDONJSA-N 357.801 2.878 0 50 FFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 156274283 ZXCMLNJHGOZILB-SUMWQHHRSA-N 353.426 2.559 0 50 FFAA O=C(c1cnn(-c2ccccc2)n1)N1C[C@@H](n2cccn2)Cc2ccccc21 173137651 KINBORLWNIEJLG-SFHVURJKSA-N 370.416 2.908 0 50 FFAA Cc1nc([C@H](NC(=O)/C=C/c2ccco2)c2ccc3c(c2)OCCO3)no1 371010013 QHXSAESHIPGRTG-SUQGKYDKSA-N 367.361 2.661 0 50 FFAA O=C(O)c1ccc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)cc1 238130468 ANUFGTRLTXJYNG-UHFFFAOYSA-N 356.353 2.581 0 50 FFAA Cc1cccn2cc(C(=O)N3CCC(n4cc(CC(C)C)nn4)CC3)nc12 48315067 QNCXJWRKLYGRMU-UHFFFAOYSA-N 366.469 2.910 0 50 FFAA Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1CN 131038065 TWTNYQLJNWTPPK-MRXNPFEDSA-N 357.502 2.901 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)c1cc([C@H]2C[C@@H](N)C2)nc(C2CC2)n1 222899324 JEIAFEPKXCNCDM-WKILWMFISA-N 354.502 2.968 0 50 FFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1 82121115 YXTDGAVDOWSLQF-MRXNPFEDSA-N 370.497 2.892 0 50 FFAA Cc1cncc(CCC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 292271373 WVWNUXCCMPPIQE-UHFFFAOYSA-N 355.438 2.645 0 50 FFAA O=C(NCC[C@@H]1CCCNC1)c1cnc(-c2ccc3c(c2)OCO3)s1 238149706 OUJNTBHSHCSNIS-LBPRGKRZSA-N 359.451 2.658 0 50 FFAA O=C(NCCCSCc1ccccc1F)[C@@H]1CCCCn2nnnc21 97217540 CFXNMBNGFJCAEN-CQSZACIVSA-N 363.462 2.519 0 50 FFAA CCc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)cc1 91694848 DFJBWWSRBZMIIQ-INIZCTEOSA-N 358.482 2.927 0 50 FFAA CNc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)ccn1 95392462 NDHRTHPTMKLQRD-UHFFFAOYSA-N 356.470 2.544 0 50 FFAA CN1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)CC1 426479083 YBFHSUBBWSOTNO-FQEVSTJZSA-N 358.530 2.951 0 50 FFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c3ccc(C)cc23)C1 91563121 JNWZTNYTKZJCEI-HXUWFJFHSA-N 356.422 2.944 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccsc1)c1ccc(-c2ccccc2)[nH]c1=O 96165031 XFWHTBQJHZIELK-HNNXBMFYSA-N 368.458 2.684 0 50 FFAA O=C(NCCSC1CCCCC1)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 97475137 HGBKCDBTMAOVSY-AWEZNQCLSA-N 362.495 2.927 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)c3ccc(-c4cccc(F)c4)nc3)C2)C1=O 91818203 DXBOEUMAPQRRNP-OAQYLSRUSA-N 367.424 2.972 0 50 FFAA CC(C)c1cc(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)no1 96165385 OZZOXVPXGFAXID-YWZLYKJASA-N 361.486 2.949 0 50 FFAA O=C(CCc1cn2ccccc2n1)NCCN1CC[C@H](c2ccccc2)C1 97098996 PTKREEKTPAQKRV-IBGZPJMESA-N 362.477 2.873 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCCc1nc2c(s1)CCC2 95521521 VSHRDWAXMAVREG-UHFFFAOYSA-N 352.463 2.854 0 50 FFAA Cn1nccc1CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 96138882 JSSBBFXOOASANW-UHFFFAOYSA-N 356.426 2.884 0 50 FFAA CSc1ccccc1CN1C[C@@H](CN2C[C@H](C)O[C@H](C)C2)[C@@H](CO)C1 91793574 RITAJSMGRBVMPB-UKBAYJJMSA-N 364.555 2.558 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)CCc2nc3ccccc3[nH]c2=O)c1 91713869 UIUZTAVUJUBYSX-LJQANCHMSA-N 363.417 2.838 0 50 FFAA CC(=O)Nc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1 91665741 GAKJTHVVKGBAQE-AZUAARDMSA-N 355.482 2.868 0 50 FFAA O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCC[C@H](O)CC1 294982217 UFOJMJOJBFVJQB-IRXDYDNUSA-N 352.434 2.566 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1ccc2c(c1)CN(C)C2 244605603 FBQNBYHTHVCUGP-HXUWFJFHSA-N 367.497 2.645 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1coc(Br)c1 299745978 UKWJTGLEUOATAO-GFCCVEGCSA-N 350.168 2.694 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N[C@@H](c1nccn1C)C1CC1 252505972 VUDJMYCBCFSSHD-GOSISDBHSA-N 365.437 2.572 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1occc1C)CC2 299384657 IBEJRIBDUONIMC-CQSZACIVSA-N 359.378 2.820 0 50 FFAA Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1Cc1cccc(Cl)c1 102615768 HHVMWCYLUWFMHO-MUIFIZLQSA-N 371.824 2.560 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccncc3C)CC2)cc1 299793430 HVIVPLRXQDWKHH-UHFFFAOYSA-N 368.437 2.921 0 50 FFAA Cc1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n(-c2ccccc2C)n1 299756889 IMCOGEVKLWOCJO-LJQANCHMSA-N 369.425 2.548 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cnn(C)c1-n1cccc1 299754385 FVJVSEYHFXJTPQ-SJLPKXTDSA-N 355.486 2.547 0 50 FFAA biogenic CCN1CCCC[C@@H]1C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 299791815 FZRMOUWBVSJFDG-LJQANCHMSA-N 365.468 2.920 0 50 FFAA CN(C)[C@H](C(=O)Nc1ccccc1CN1CCOCC1)c1ccccc1F 952978187 XCEIOGIJWKHEBL-FQEVSTJZSA-N 371.456 2.899 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cc1 952979543 UHPUHWIQEUTTQV-MRXNPFEDSA-N 371.481 2.945 0 50 FFAA Cc1cc(C(=O)NCC2CCN(c3ccnc(C(=O)O)c3)CC2)c(C)o1 952970364 RKRDDXGCUHUBFH-UHFFFAOYSA-N 357.410 2.636 0 50 FFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@H]3C[C@H]4OCC[C@@H]34)cs2)n1 1565529471 ISBKDIFOGLSWGU-ATZCPNFKSA-N 372.372 2.563 0 50 FFAA Nc1ccsc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565526110 HCYVAIVJOLDBCV-HIFRSBDPSA-N 355.463 2.707 0 50 FFAA O=S(=O)(Cc1cnoc1C1CC1)c1nc(-c2cc(F)cc(F)c2)n[nH]1 170617137 GFBVUMWCFOYACH-UHFFFAOYSA-N 366.349 2.589 0 50 FFAA Cn1c(S)nnc1CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 170624934 JDXLQQHAWIZBFA-ZJUUUORDSA-N 371.293 2.873 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2nn(-c3ccccc3)cc2C)cc1 187463275 IAQIFOWCTXGVHQ-UHFFFAOYSA-N 355.419 2.608 0 50 FFAA C[C@@H]1C(=O)N(C)CCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 188902161 UFHDITUULUFFLT-GFCCVEGCSA-N 373.482 2.558 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)CCO2)cn1 189222207 NCZDPGYUNUWYDU-OAHLLOKOSA-N 369.874 2.627 0 50 FFAA CC(C)(C)N1CCC(NC(=O)NCc2cccc(Cn3cccn3)c2)CC1 193981928 SKNJSGRZKVJWJN-UHFFFAOYSA-N 369.513 2.994 0 50 FFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCC[C@@H](N2CCCC2)C1 796258250 ATCZELQUCRLRAS-CVEARBPZSA-N 356.388 2.826 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)CCNC(=O)c1ccccc1F 1506426885 VQUAYCNKNYTGMV-UHFFFAOYSA-N 372.425 2.609 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H](C)SC)CC1)OCC2 1704344430 NNQBQDJKGWTBNF-ZDUSSCGKSA-N 365.495 2.846 0 50 FFAA COc1cc(-c2onc(N3CCC[C@H](OC)C3)c2C(=O)O)ccc1F 1704325593 QHJDPGLOCQISBS-NSHDSACASA-N 350.346 2.803 0 50 FFAA Cc1ncc(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)n1C 12305793 ZDYXEHODTGTIDM-UHFFFAOYSA-N 366.465 2.953 0 50 FFAA Cc1cccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 15064828 RFHWOSGONSSSBR-IBGZPJMESA-N 355.526 2.950 0 50 FFAA COc1ccc(CCN(C)Cc2nc(-c3ccccn3)no2)cc1OC 19742244 YMRFPHVKVHPURP-UHFFFAOYSA-N 354.410 2.823 0 50 FFAA Cc1nccc(-c2cccc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)c2)n1 1857733025 RNMMAKNYXYBOMY-KFKAGJAMSA-N 352.438 2.548 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCCC(=O)c3ccccc3)C[C@]23CC[C@H]1O3 1857733359 HFNLENWEDHLYGH-XHYAQGIWSA-N 370.493 2.607 0 50 FFAA CC(C)[C@H]1CN(Cc2cnc(NCC(=O)O)nc2)C[C@@H](c2ccccc2)O1 1875243182 UWOKOZJZZBPHES-MSOLQXFVSA-N 370.453 2.571 0 50 FFAA COCCc1ncc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)cn1 219310435 XLLQRVUJQOYBHB-CTNGQTDRSA-N 366.509 2.762 0 50 FFAA CC[C@@H](NCc1nc(N)nc(=Nc2ccccc2OC)[nH]1)c1ccccc1 411447847 BOSXWLNGCPDXSJ-OAHLLOKOSA-N 364.453 2.869 0 50 FFAA COC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2509858 UEUZUMRMWJUEMK-KRWDZBQOSA-N 369.373 2.541 0 50 FFAA in-vitro O=C(O)C[C@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1 263262282 GPPRCBGLFFIYEY-KRWDZBQOSA-N 355.390 2.581 0 50 FFAA COc1ccc(C(C)(C)C(=O)NCc2ccnc(O[C@H]3CCOC3)c2)cc1 163150076 TUENNMDUONTLCK-SFHVURJKSA-N 370.449 2.852 0 50 FFAA O=C1CC[C@@H](NC(=O)c2ccc3c(c2)CCOC3)[C@H](c2ccccc2)N1 854942385 JMJWBOACFQBYMS-QUCCMNQESA-N 350.418 2.509 0 50 FFAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1ccc(Oc2ccccc2)cn1 952846131 GLXPMUJYSVEGIO-OXQOHEQNSA-N 367.449 2.809 0 50 FFAA COC(=O)c1cc(OC[C@H]2C[N@@]2Cc2cnn(C)c2)c2ccccc2c1 1875385250 PHMLNELPXRBRRK-UZUQRXQVSA-N 351.406 2.623 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1 1875386575 UKSFMDGIJZBVBO-QGZVFWFLSA-N 367.380 2.669 0 50 FFAA C=CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875375175 TVLUYXXRSQKVQJ-CQSZACIVSA-N 356.875 2.576 0 50 FFAA Cc1cccc2c1c(CCNS(=O)(=O)[C@@H]1C[C@H]3[C@@H](C1)C3(F)F)cn2C 2325782877 LJZJVCWPRVBALP-QDMKHBRRSA-N 368.449 2.992 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C3(Oc4cnn(C)c4)CC3)cc2)c1C 2325792543 PJVSTTPJWMTULC-UHFFFAOYSA-N 351.410 2.773 0 50 FFAA C[C@H](NC(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1nc([C@@H](C)O)n[nH]1 2325803926 KHWWMGFDSQCFHZ-NTSWFWBYSA-N 364.274 2.646 0 50 FFAA Cc1cc(C)c([C@H](CO)NC(=O)c2nnc3c(F)cccc3c2O)c(C)c1 2325841818 HBYXYIOKEKIECY-HNNXBMFYSA-N 369.396 2.863 0 50 FFAA C[C@H]1CC[C@@](C)(C(=O)N(C)CCNC(=O)C2([C@H]3CCCO3)CC2)C1(C)C 2325866505 NLRAVFIQWFMVPX-YRNRMSPPSA-N 364.530 2.983 0 50 FFAA Cc1coc(C(=O)N2CCCC[C@H](NC(=O)Cn3c(C)ccc3C)C2)c1 2325870538 CCMPLXYVDXFLIE-KRWDZBQOSA-N 357.454 2.817 0 50 FFAA O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(Cc1c[nH]cn1)CC2 20908257 XATILSXMQQJDLI-RTWAWAEBSA-N 364.493 2.621 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1 1144867 KXKBLGOOFBJWFU-UHFFFAOYSA-N 363.435 2.992 0 50 FFAA COc1cc(SC)c(OC)cc1CN(C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356147503 YYJYUIRBTHFJOB-GUTXKFCHSA-N 364.511 2.772 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)CCc2cc(Cl)no2)C1=O 2356162823 LNWXLTUGJADUSV-QGZVFWFLSA-N 353.850 2.654 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1=O 2356167566 SRZSCEAGCNVGQS-NRFANRHFSA-N 366.465 2.878 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 65384556 WGUKTVCOFJIEID-UHFFFAOYSA-N 369.444 2.953 0 50 FFAA COc1cc(C)c(-c2nc(CN3CC[C@H](NC(C)=O)C3)c(C)o2)cc1C 67847147 NEXFJFYQHOVXSB-INIZCTEOSA-N 357.454 2.986 0 50 FFAA CSc1ncccc1C(=O)NCc1cc(=O)[nH]c(CC2=CCCCC2)n1 63834684 GEZXLTIDYFOCCR-UHFFFAOYSA-N 370.478 2.860 0 50 FFAA CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccccc1C 67604479 UPMVCLKFATZJPF-DOTOQJQBSA-N 352.500 2.624 0 50 FFAA COC(=O)c1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C)n2)cc1 1394395 OCXYVCAZDZGPRV-UHFFFAOYSA-N 363.373 2.580 0 50 FFAA CC(C)c1ccc(OCC(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1 1459665 QPZGUHLUHYSHMP-INIZCTEOSA-N 362.323 2.996 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 229659876 DMMQYKRXTUVYJS-IIAWOOMASA-N 361.442 2.521 0 50 FFAA COC(=O)COc1ccccc1CN1CCN(Cc2ccccc2C)CC1 72150083 INAYEMIALUMHTM-UHFFFAOYSA-N 368.477 2.865 0 50 FFAA O=C1CN(c2nccc(CCC(F)(F)F)n2)CCN1Cc1ccccc1 71439466 VEIAUHVFUCTMAO-UHFFFAOYSA-N 364.371 2.820 0 50 FFAA CCc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)o1 39509594 CWOISWCLFFYIMP-GOSISDBHSA-N 358.482 2.919 0 50 FFAA CN(C)Cc1nc(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)cs1 72122392 DARMZHVXBATYOS-CQSZACIVSA-N 373.478 2.608 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 77387452 JGPNJWWXAKWGGJ-SFHVURJKSA-N 364.873 2.625 0 50 FFAA CN1CCC(CNC(=O)CN(C)Cc2ccccc2)(c2ccccc2)CC1 219639657 DBLGILGSNRXRTJ-UHFFFAOYSA-N 365.521 2.898 0 50 FFAA Cc1ccc(-c2ccccc2CN2CCN(CCN3CCOCC3)CC2)o1 215398676 ILXCLRKUHNTINI-UHFFFAOYSA-N 369.509 2.705 0 50 FFAA CCC(=O)N1CC[C@H](C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)C1 151178391 ZCRRQRHPNFTFOK-HNNXBMFYSA-N 366.421 2.531 0 50 FFAA CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)c1cccc(Br)c1 331214743 NHMZSKHPJSFJOQ-KFWWJZLASA-N 356.260 2.660 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCO[C@H]2C(C)C)[C@@H](C)S(C)(=O)=O)cc1 331235431 LIEOBYPXRAWTAN-DDBAPUKQSA-N 367.511 2.647 0 50 FFAA Cc1ccc(Sc2ccc(CN3CCO[C@]4(CNCCOC4)C3)o2)cc1 72149995 PERNWHUTJJMSEZ-HXUWFJFHSA-N 374.506 2.930 0 50 FFAA CN1CCN(C(=O)Cc2cccc(N3CCCC3=O)c2)c2cc(F)ccc21 485926404 ZDHWUQOYNQKLHT-UHFFFAOYSA-N 367.424 2.978 0 50 FFAA COc1nc2c(cc1CNC1CCCC1)C(=O)N(CCc1ccccn1)C2 71615162 QWPPTYYYRGLBNG-UHFFFAOYSA-N 366.465 2.716 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cc1 72476446 CIASVWNSSYWGQU-GOSISDBHSA-N 355.482 2.853 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2nc(C)cc2C)c1 77542115 ADSYTZRPOWVYLJ-LJQANCHMSA-N 368.481 2.962 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)O)cc2)n1 237696519 JPPIOWPCDLDHMK-MRXNPFEDSA-N 356.426 2.744 0 50 FFAA Cc1ccc(OCCC(=O)N2CCC(C(=O)O)CC2)c(Br)c1 237700770 QUQGUWPFDMRZKR-UHFFFAOYSA-N 370.243 2.850 0 50 FFAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2nc3ccccc3n2C)C1 492907318 NNHWNHKDQXNYOJ-WFASDCNBSA-N 354.376 2.605 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](c3ccco3)C2)C(=O)N1c1ccccc1 129203248 KBALBUQQVJCOBV-KYJSFNMBSA-N 369.421 2.557 0 50 FFAA Cn1nnc2c(C(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)ccnc21 283253836 QMNITOKUXXBARE-UKRRQHHQSA-N 355.442 2.507 0 50 FFAA CC1(C)CN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CCO1 173449515 WXHARTDKCDSOGA-HNNXBMFYSA-N 354.397 2.894 0 50 FFAA CN(C)Cc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)cc1 216279691 LPQPZVGXRJNAHT-UHFFFAOYSA-N 360.527 2.673 0 50 FFAA Cc1ccc(-c2cn([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)nn2)cc1 72121948 WXZHDEULLBYCMT-RTWAWAEBSA-N 360.461 2.839 0 50 FFAA CC(C)Cn1c(CC2(CC(=O)N3CC(O)C3)CCCC2)nc2cccnc21 77339957 ZQFOUFCFPOTSFP-UHFFFAOYSA-N 370.497 2.783 0 50 FFAA CCCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1C 223770065 VENZOEBGJREXFI-RTBURBONSA-N 357.454 2.706 0 50 FFAA CC[C@@H]1CCCCN1C(=O)CN1CCn2c(nnc2-c2ccccc2)C1 174500045 FATWSLKOVLVVJV-QGZVFWFLSA-N 353.470 2.552 0 50 FFAA O=C([C@H]1CCC[C@@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 220033025 VCMUYWSNSFQSJP-DOTOQJQBSA-N 370.415 2.901 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccc(-c2ccc(C(N)=O)o2)c1 426360470 UQKCSIKLJGDODZ-UHFFFAOYSA-N 366.421 2.700 0 50 FFAA CCN1CCC[C@H]1CSc1nnc(CNC)n1-c1cccc(OC)c1 426422941 NTNDMMRIFDXCGS-HNNXBMFYSA-N 361.515 2.572 0 50 FFAA Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)sc1-c1ccccc1 426372205 JEXAOMCTGXEXLE-AWEZNQCLSA-N 355.419 2.872 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1 426535634 GDDUMJHMKMYTNU-KRWDZBQOSA-N 353.426 2.959 0 50 FFAA CCc1nccn1CCCNC(=O)c1cnc(-c2cccc(C)c2)nc1O 82098642 ABTZRUOSLDITPZ-UHFFFAOYSA-N 365.437 2.737 0 50 FFAA Cc1ccc2[nH]c(CN3CCN(C4CCCCC4)C(=O)C3)cc(=O)c2c1 92081089 NNXDNAZIXWSTOZ-UHFFFAOYSA-N 353.466 2.813 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(c2nccc(-c3c(C)nn(C)c3C)n2)C1 20782081 PHGNRIWXUZOGPO-MRXNPFEDSA-N 370.501 2.579 0 50 FFAA Cc1cc(N2CCN(CC[C@H](C)c3ccc(C)o3)CC2)n2ncnc2n1 97717370 FIWJPMMKBYQZLM-AWEZNQCLSA-N 354.458 2.650 0 50 FFAA Cc1nccc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1 92078239 YWMBXOUNCDSVKE-INIZCTEOSA-N 368.485 2.662 0 50 FFAA Cc1nc(C2CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)cc(=O)[nH]1 95389399 RWTJBMFPNJGJNA-UHFFFAOYSA-N 363.417 2.774 0 50 FFAA Cc1nc2ccc(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)cc2o1 91625566 SEHJLYXOMMATOT-FQEVSTJZSA-N 355.438 2.999 0 50 FFAA COC(=O)c1cnc2c(c1)n(Cc1cncs1)c(=O)n2CCC(C)C 95498884 LQZRPIDTNHEHSZ-UHFFFAOYSA-N 360.439 2.536 0 50 FFAA O=C(c1cn2ccsc2n1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 91849275 DDQJLEXNMCZBSS-UHFFFAOYSA-N 367.409 2.936 0 50 FFAA c1cc2ccc(Cn3cc(-c4cnc(N5CCOCC5)s4)nn3)cc2[nH]1 91746979 QVMQYPAOFXHFQK-UHFFFAOYSA-N 366.450 2.768 0 50 FFAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1n[nH]c2c1COCC2 97641936 DQRHPPYKDVDJJM-KRWDZBQOSA-N 374.872 2.703 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@@](O)(c3ccccc3)C2)c1 91935164 DPSUJEHJPKGAFF-NRFANRHFSA-N 363.417 2.819 0 50 FFAA CCCNC(=O)CN1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccccc1OC 245312596 WFJGUFDWNHQOKC-IOMROCGXSA-N 360.498 2.890 0 50 FFAA COc1ccc2nc(CNC(=O)c3cnc(-c4ccccc4)n3C)[nH]c2c1 1940197387 MLUDOGTZYLYDCQ-UHFFFAOYSA-N 361.405 2.902 0 50 FFAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 299781560 TZWVDDDPNHZINO-KRWDZBQOSA-N 359.447 2.666 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)[C@H](O)c2ccccc2)c1 299779406 NODAQTPSWKPEDJ-LIRRHRJNSA-N 371.437 2.824 0 50 FFAA COc1ccc(-c2cccc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2)nn1 299778300 IVLBETJVUCILEO-UHFFFAOYSA-N 365.437 2.807 0 50 FFAA CN1C(=O)CCC12CCN(C(=O)COc1ccc3ccccc3c1)CC2 299785232 RAMSYOPZFWPPMJ-UHFFFAOYSA-N 352.434 2.832 0 50 FFAA CSc1ncc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(O)n1 299785483 RWXUOKNDPZIABA-UHFFFAOYSA-N 363.414 2.727 0 50 FFAA Cc1cccc2cc(C(=O)NC3CCN(C(=O)N4CCCC4)CC3)n(C)c12 299791817 HBBDGXCGNPXLMW-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CC[C@@](C(=O)O)(c2ccccc2)C1 299775837 LDHMQPBEFBSJPO-NRFANRHFSA-N 368.433 2.744 0 50 FFAA CC[C@@H](C)C(=O)Nc1cccc(NC(=O)CN2CCN(CC)CC2)c1C 952975931 PLWXXTFSFUSIHL-OAHLLOKOSA-N 360.502 2.556 0 50 FFAA Cc1c(NC(=O)c2ccc3c(c2)OCCO3)cccc1-c1nncn1C 952983072 OCJZMCOMKWWSPR-UHFFFAOYSA-N 350.378 2.814 0 50 FFAA COc1cc(C)c(NS(=O)(=O)c2cc(F)ccc2C)c(C(=O)O)c1 170078770 KRGVIBRYYABQIZ-UHFFFAOYSA-N 353.371 2.950 0 50 FFAA Fc1cccnc1OC1CCN(c2ncncc2Br)CC1 278437478 KBOALEFXIOURMR-UHFFFAOYSA-N 353.195 2.821 0 50 FFAA COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1COCCN1CC1CCC1 187364906 IDCZTCGKACMFRK-BBRMVZONSA-N 350.434 2.512 0 50 FFAA CC(C)c1ncc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 188157777 FNFOUGCQPUBVLY-FQEVSTJZSA-N 373.522 2.976 0 50 FFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@@H](c3nncn3C)C2)c(OC)c1 193059973 LKLDNYUZXBKKTN-MQDFFIGUSA-N 370.453 2.642 0 50 FFAA COc1cc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)ccc1F 1529196735 GDKCRBGAZIDTSC-IEBWSBKVSA-N 370.424 2.732 0 50 FFAA COc1cc(-c2onc(NC[C@]3(C)CCN(C)C3)c2C(=O)O)ccc1F 1704337657 XPFVOMXFDBCUTJ-SFHVURJKSA-N 363.389 2.941 0 50 FFAA CC(C)N1C[C@H](CN2CCCN(C3Cc4ccccc4C3)CC2)CCC1=O 1772811408 UWHAKWBEQFSCNH-IBGZPJMESA-N 369.553 2.809 0 50 FFAA Cc1cc(CNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)no1 1772816398 PLWZUYHAGBBJDY-ZDUSSCGKSA-N 354.435 2.923 0 50 FFAA Cn1cc(-n2nc(-c3ccccc3)nc2CCN2CCCCCC2=O)cn1 1772807731 TYCOROWFRDIPES-UHFFFAOYSA-N 364.453 2.613 0 50 FFAA COc1cccc(CN2CCC[C@@H](NC(=O)CSc3ccccn3)C2)c1 11821817 BXOUBXQOPUTGKF-QGZVFWFLSA-N 371.506 2.963 0 50 FFAA O=C(CCN1CCCO1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 14956457 KEKQHQIZUDPKKG-KRWDZBQOSA-N 352.438 2.665 0 50 FFAA Cc1cc(C)cc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c1 17877399 WUQLIUGUODUZDO-AWEZNQCLSA-N 356.403 2.821 0 50 FFAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 19168980 SVZPHXFGEWCRMT-ZCNNSNEGSA-N 361.445 2.839 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 19863544 AGGWNFLVAPHRRO-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1cc(-c3cccs3)nn1C)CCC2 1857666865 XUGCXLOUDLCHEI-LBPRGKRZSA-N 355.467 2.998 0 50 FFAA O=C(O)CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 238065462 JQAIEGDVZRSSTI-UHFFFAOYSA-N 359.344 2.730 0 50 FFAA CCCOc1ccc(CNC(=O)N2CCO[C@H](c3cnn(C)c3)C2)c(C)c1 252508384 XMKWYTUVNVLXQO-IBGZPJMESA-N 372.469 2.800 0 50 FFAA Cc1cnc(NC(=O)c2cnn(-c3ccccc3)n2)c(Br)c1 163030440 KJXJTVXKRMXHKF-UHFFFAOYSA-N 358.199 2.986 0 50 FFAA CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccccc1[S@](=O)C(F)(F)F)C2 821776175 BZHFUSJTLUQHDS-CTRJTCCGSA-N 360.401 2.669 0 50 FFAA O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)[C@@H]1CSC(c2ccccc2O)=N1 928069916 HOFJUCNSFBHUTE-GRDNDAEWSA-N 372.421 2.842 0 50 FFAA COc1ccc(OCc2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 952991994 HINMMBFOKQEMPT-UHFFFAOYSA-N 360.414 2.616 0 50 FFAA CCc1cnc2ccccc2c1C(=O)NC[C@@H](C[C@@H]1CCOC1)C(=O)O 1875277806 GULIUVJOYFBMMS-DZGCQCFKSA-N 356.422 2.654 0 50 FFAA O=c1cc(CN2CCc3ccc(Br)cc3CC2)occ1O 1875292697 PYPLRLWTOLOPFJ-UHFFFAOYSA-N 350.212 2.709 0 50 FFAA COc1cc2c(cc1C)CN(C(=O)c1n[nH]c3c1C[C@H](C)O[C@@H]3C)CC2 1875295562 JSUDIRGIHYKGIR-QWHCGFSZSA-N 355.438 2.947 0 50 FFAA O=C(NCC[C@@H]1CCCS1(=O)=O)[C@H](F)c1ccc(C(F)(F)F)cc1 881899726 DICDBMVZILWRCG-QWHCGFSZSA-N 367.364 2.800 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)Nc2cc(C)cc(C)c2)C1=O 2100539625 QNKYMTRBTKXNPQ-FQEVSTJZSA-N 359.470 2.939 0 50 FFAA O=C(c1cccnc1O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2100539679 TXFKTDBLBFWSQH-NRFANRHFSA-N 365.433 2.585 0 50 FFAA O=C(c1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697480 MKBGBKDQIZIGPS-UHFFFAOYSA-N 360.421 2.578 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c(-c2ccnn2C)c1 2325786064 ZTSRYMHDPRXEDO-LDQXTDLNSA-N 365.481 2.521 0 50 FFAA O=C(NC[C@H]1CCCO1)c1[nH]nc(Br)c1-c1ccccc1 2325804959 FADWTRXBJFMGDE-LLVKDONJSA-N 350.216 2.748 0 50 FFAA CCc1cc(CC)cc(NC(=O)Cn2nc(O)c3ccccc3c2=O)c1 2325863958 BCMSUCKABCPQJZ-UHFFFAOYSA-N 351.406 2.866 0 50 FFAA COc1cccc(CNC(=O)CN2C[C@H]3C[C@@]3(c3ccc(C)cc3)C2)c1 2325868432 ZFJMWESNQLDTPA-KNQAVFIVSA-N 350.462 2.893 0 50 FFAA CCCC[C@@H]1C=CCN1C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95390807 KDGGWIBCOGVAHI-QGZVFWFLSA-N 368.481 2.981 0 50 FFAA COc1ccc(C(=O)NCc2ccco2)cc1I 1057301 UGVUKWVQLIWPCN-UHFFFAOYSA-N 357.147 2.823 0 50 FFAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2)CC1 1219792 SCEUGHCESCEYIN-UHFFFAOYSA-N 367.449 2.681 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1)c1ccccc1 1456857 TUFJJMZOOJYONR-FQEVSTJZSA-N 359.429 2.739 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccs1 4829111 JQHAFCXGKSHTBN-LBPRGKRZSA-N 356.403 2.775 0 50 FFAA COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 8267316 SZXNVWMCLICATJ-LBPRGKRZSA-N 358.369 2.835 0 50 FFAA O=C(O)CCc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1 55153010 IFSCIWYPNPKQKB-UHFFFAOYSA-N 362.474 2.504 0 50 FFAA OCCOc1cccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c1 23231935 OQPUSRHOUHBJSQ-LJQANCHMSA-N 358.457 2.951 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](N3CCC(N4CCCCC4)CC3)C2=O)cc1 100720970 QOIZFAPTMQSSBY-IBGZPJMESA-N 355.482 2.577 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)NC[C@@H]3CCCOC3)s2)cc1 23191520 JMJZQZKIGVSBAT-ZDUSSCGKSA-N 362.455 2.974 0 50 FFAA CCc1oc(C(=O)N2CC[C@H](N(CC)C(C)=O)C2)cc1CN(CC)CC 55211701 SEFSNJGDHTYVNL-KRWDZBQOSA-N 363.502 2.767 0 50 FFAA CCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)COC)CC1 65534549 ALYKDLZZWWBMKQ-UHFFFAOYSA-N 370.852 2.713 0 50 FFAA CC(C)Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)n(C)n1 65406998 OWDYJBVYRZYKFK-SFHVURJKSA-N 356.470 2.835 0 50 FFAA COc1coc(CN2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)cc1=O 67605982 SDCZEHAFTQUGJQ-UHFFFAOYSA-N 373.359 2.875 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)[nH]n1 67774518 ZDGDZFWTGFLYQQ-CYBMUJFWSA-N 362.437 2.805 0 50 FFAA CCCCn1nnnc1NC(=O)N1CCC[C@H](C(=O)c2ccccc2)C1 23543704 ZUIZHTHOZNGRMQ-HNNXBMFYSA-N 356.430 2.600 0 50 FFAA Cc1cc(NC(=O)c2cccc(CN(C)Cc3cnc(N)nc3)c2)sn1 67895543 XATOZGYURRXBIS-UHFFFAOYSA-N 368.466 2.708 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCN(Cc2ccccn2)CC1 20539940 XIDFECRGHBOZRV-INIZCTEOSA-N 356.495 2.526 0 50 FFAA CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C 55220543 MUEVRUSTQKRHKB-LJQANCHMSA-N 371.481 2.960 0 50 FFAA COc1ccnc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 329398439 VGFUWBJHOKJWFO-AQNXPRMDSA-N 352.434 2.664 0 50 FFAA Cc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2cc3c(cc2n1)OCO3 72434531 XMRLDXIEJSMQCJ-IBGZPJMESA-N 355.394 2.693 0 50 FFAA CCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c12 171713468 DZWWSOYRKAZWJO-QGZVFWFLSA-N 370.453 2.649 0 50 FFAA Cc1nn([C@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br 2778173 KPDGUGNAOYMKKE-LLVKDONJSA-N 371.323 2.940 0 50 FFAA Cc1cc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)c2ccc(F)cc2n1 219515434 QUTQQYJEDJRBQU-CYBMUJFWSA-N 368.412 2.978 0 50 FFAA CCc1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 77472428 QYIHNBIWNUKDJQ-NRFANRHFSA-N 372.513 2.930 0 50 FFAA O=C(O)C1(n2ccnc2)CCN(Cc2ccc3cccc(F)c3n2)CC1 72438116 GOSHBKCZZCVOJL-UHFFFAOYSA-N 354.385 2.646 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1 363346279 TWKUZPFNXLCEMG-AWEZNQCLSA-N 361.877 2.936 0 50 FFAA CC(C)c1noc(CCNC(=O)c2ccccc2COC2CCOCC2)n1 125302304 MWUIAURVXXBASD-UHFFFAOYSA-N 373.453 2.861 0 50 FFAA C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCCC(O)=N1 328835736 SKPTWQHJZKSKJO-DJPFJPOOSA-N 374.481 2.844 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C)noc2C)cc1OC 33270293 MNGMKKHXMAHDQT-CQSZACIVSA-N 366.439 2.834 0 50 FFAA O=C1CC[C@H]2CN(CC3CCNCC3)CC[C@H]2N1CCc1ccccc1 72423147 NIVWQNVVTHHJDE-LEWJYISDSA-N 355.526 2.542 0 50 FFAA CC(C)c1cnc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1 370603911 WXQDTSHCUUSJOS-CYBMUJFWSA-N 352.504 2.984 0 50 FFAA CCCc1nnsc1C(=O)N1CCN(c2ccccc2OC)C[C@H]1C 72473091 KETZIMMNUHVWDT-CYBMUJFWSA-N 360.483 2.850 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 236917463 YNKHDOXMYKFXEK-HOCLYGCPSA-N 350.434 2.749 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1 72440195 HFXZCPWLKNPXPX-UHFFFAOYSA-N 367.493 2.743 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)CN(C)Cc2cccnc2)CC1 72476790 BZRZBKUHZZZANV-UHFFFAOYSA-N 365.477 2.663 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCn1nnc2ccccc21 77288062 XALVJVZNVRQEQT-UHFFFAOYSA-N 360.421 2.666 0 50 FFAA CCc1nccn1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 72425222 OVSVFGKGVSEEBB-KRWDZBQOSA-N 358.461 2.708 0 50 FFAA Cc1[nH]c2ccc(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)cc2c1C 220387801 DIGVGHAKROEPFM-KJXMEXGPSA-N 352.438 2.760 0 50 FFAA Cc1cccnc1NCCNC(=O)CN1CCC(c2ccccc2)CC1 223600785 SUTXXKXXEOJAIY-UHFFFAOYSA-N 352.482 2.798 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2 132851654 DIDMEZDEPQLWBX-ZWKOTPCHSA-N 371.481 2.944 0 50 FFAA COc1cc(Cl)ccc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 223489080 NAYRHLKWMDQYIC-OAHLLOKOSA-N 352.862 2.722 0 50 FFAA Cc1cc(C)n(Cc2ccc(NC(=O)NCCN3CCCOC3=O)cc2)n1 426589940 GNSPZDIXEWOSCP-UHFFFAOYSA-N 371.441 2.512 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 82098955 GDWXDRHSOBKNAZ-INIZCTEOSA-N 355.438 2.885 0 50 FFAA O=C(COc1ccc2nncn2n1)N1CCCC[C@@H]1CCc1ccccc1 82134179 WKDFGJRZGPOMHL-QGZVFWFLSA-N 365.437 2.517 0 50 FFAA CN(Cc1cccc(-c2nnn[nH]2)c1)C(=O)c1ccc(N2CCCC2)cc1 222532611 PHDFYKLMIVJMJS-UHFFFAOYSA-N 362.437 2.739 0 50 FFAA COc1cccc(CCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1 82126378 QIYIHGNEJIKDAR-LJQANCHMSA-N 360.498 2.731 0 50 FFAA C[C@@H](CN(C)C(=O)c1cccc(-c2ccc(F)cn2)c1)N1CCOCC1 426546301 YLSFPYSNSALLID-HNNXBMFYSA-N 357.429 2.680 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2 426370867 XUXUCWFGJYQPBK-UHFFFAOYSA-N 368.462 2.717 0 50 FFAA CCOCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1C 82108367 DNNCPFNRQFOKQL-MRXNPFEDSA-N 352.434 2.954 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cccc(Cl)c3)C2)CN1CCCO 82120266 RNPFBKGMYQPACA-LJQANCHMSA-N 350.890 2.927 0 50 FFAA O=C1C[C@@H](C(=O)N2CCc3[nH]nc(C4CCC4)c3C2)c2cc(F)ccc2N1 91849011 HZRGUYGIVFSKFT-CQSZACIVSA-N 368.412 2.827 0 50 FFAA CC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)c1 426706006 ZUZVAUAVWFQKEF-SFHVURJKSA-N 354.381 2.704 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NCCCn1cc(Cl)cn1 95525775 HRDCFZPKNBBZMJ-UHFFFAOYSA-N 360.889 2.922 0 50 FFAA CN1CC[C@@]2(CCC1=O)CN(Cc1ccc(Cl)c(F)c1)CCN2C 91350833 VWRAGNHKPJUGLL-SFHVURJKSA-N 353.869 2.608 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@H](Cc2cccc(CO)c2)C1 91965895 KDIGEDKYQQKPAW-QGZVFWFLSA-N 367.493 2.805 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(=O)nc3sccn23)C2CC2)cc1 97393941 KSWVKVQEYCGJEJ-INIZCTEOSA-N 355.419 2.646 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 95388872 YMFIGHXGIJZMOW-GOSISDBHSA-N 353.466 2.532 0 50 FFAA O=C(CCC1CC1)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91536425 WADKRUJEUPQLQC-UHFFFAOYSA-N 368.485 2.754 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccc(F)cc1)C2 91707813 TXSCKUAMFWYVKS-QFBILLFUSA-N 367.424 2.526 0 50 FFAA OCC[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1C1CCCC1 22913671 SDXVWIGIIIFEEG-KRWDZBQOSA-N 364.559 2.555 0 50 FFAA CN(C)[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C[C@H]1CCC(=O)O 91974328 CIZRVDRZPFBMQP-WBVHZDCISA-N 366.889 2.916 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)CN1CC2(CCCC2)CC1=O 95506925 VFQVVKPKQYNCSI-UHFFFAOYSA-N 366.465 2.623 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)Nc3ccc(F)cc31)C2 91829669 WPDUVWNZMPVNQV-HNNXBMFYSA-N 368.412 2.782 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC(n2nc(C)cc2C)C1 91535490 CIGWOKPBZQRCOO-MSOLQXFVSA-N 360.502 2.606 0 50 FFAA Cc1cc(N2CCN(C3CCCC3)C(=O)C2)nc(Nc2cccc(O)c2)n1 91550920 YRZNWPSIHNMYLX-UHFFFAOYSA-N 367.453 2.825 0 50 FFAA O=C(NC1(c2ccccc2Cl)CC1)[C@@H](c1cccnc1)N1CCOCC1 97604088 MCJLUTJATFJHEZ-GOSISDBHSA-N 371.868 2.914 0 50 FFAA CCN(CC)C(=O)CCC1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 183931226 FVMJRFWDMRGUHH-UHFFFAOYSA-N 371.485 2.767 0 50 FFAA Cc1nc(C)c(C(=O)N2CCCN(Cc3cnn(C(C)C)c3)CC2)s1 369279423 LURDVTNMILHTGU-UHFFFAOYSA-N 361.515 2.885 0 50 FFAA CC(C)c1nnsc1CN1CC(=O)N(c2ccc3cn[nH]c3c2)C[C@H]1C 91808606 FAQNBZBQBPEPMP-GFCCVEGCSA-N 370.482 2.775 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cc3c(nc2O)CCC3)C1 299764803 LVLYDRDJTGZRMC-KRWDZBQOSA-N 365.477 2.804 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCc3noc([C@@H]4CCCO4)n3)nc2c1 299780834 CEFRDJGKTNPCEI-ZDUSSCGKSA-N 373.438 2.514 0 50 FFAA Cc1csc(CCCNC(=O)C2(N3CCOCC3)CCCCC2)n1 299779884 RZTZVZOBVRLHRL-UHFFFAOYSA-N 351.516 2.535 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)OCCc1ccsc12 487325791 NPJYLCNQERTCGB-KRWDZBQOSA-N 371.458 2.979 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(F)c(C(F)(F)F)c1 828710768 CJUYSMYAOJMGSH-LBPRGKRZSA-N 363.355 2.813 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccccc2N2CCOCC2)cc1C 828182371 RRQJEYRPCSBEQO-UHFFFAOYSA-N 354.450 2.949 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 1565527858 PBOAHRFWNVAKMG-SJORKVTESA-N 364.449 2.550 0 50 FFAA CN1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 217081526 DPJSOXXGRRQIOX-OAQYLSRUSA-N 366.417 2.684 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]1COc3c1ccc(C)c3C)CC2 274958801 QZONSOLNBUZJTF-OKZBNKHCSA-N 374.481 2.698 0 50 FFAA Cc1ccc2nnc(CNC(=O)c3ccc(-c4ccc(C)o4)s3)n2n1 170610074 BPQUVBUGTYDXEH-UHFFFAOYSA-N 353.407 2.993 0 50 FFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCCc1ccc2nc(O)[nH]c2c1 734798929 JUJGTJGPCRLYEK-MRXNPFEDSA-N 365.437 2.883 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)N3CCC([C@@H]4CCCO4)CC3)cn2)C[C@@H](C)O1 191112548 KTFZEQWEUWAKBG-MDZRGWNJSA-N 373.497 2.726 0 50 FFAA C[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(=O)O 191385869 XEBONTVRYXQPOO-DZGCQCFKSA-N 370.405 2.530 0 50 FFAA CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 195438945 QOSLWSCLKWCRPO-SFHVURJKSA-N 369.509 2.762 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1 1615736616 KYXLUFKSNQXYQC-HKUYNNGSSA-N 354.450 2.921 0 50 FFAA CCn1ccc2c(CN3CCCN(C(=O)[C@H]4CCOC4)CC3)cccc21 1775978792 VSSDEXMDHBATDB-SFHVURJKSA-N 355.482 2.732 0 50 FFAA O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772701923 PPCNDRHBIDPOSP-DENIHFKCSA-N 351.446 2.676 0 50 FFAA CO[C@H]1CCCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 12055477 APIWMMGAWHVZPK-NSHDSACASA-N 352.337 2.783 0 50 FFAA OC[C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 12572638 NEMAEYUNGWETMW-ZDUSSCGKSA-N 355.360 2.884 0 50 FFAA Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(F)cc3)c2n1 13624556 HHPMJCNDXMFTSB-UHFFFAOYSA-N 369.444 2.978 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(-c4nc(C(C)(C)C)no4)c3CO2)cc1 169758393 SBLQMCKCSPQGER-AWEZNQCLSA-N 355.398 2.906 0 50 FFAA COc1cccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)c1 169765743 JQLLZXQWTISLRX-SFHVURJKSA-N 351.406 2.959 0 50 FFAA O=C(NC1CC=CC1)c1cnc2sc(Cc3ccccc3)cn2c1=O 154093253 ONBCXUQATHOQAV-UHFFFAOYSA-N 351.431 2.795 0 50 FFAA CCC(C)(C)NC(=O)CN1CCc2nn(C)c(-c3ccccc3)c2CC1 1857700713 GGEIPTWRSIQINA-UHFFFAOYSA-N 354.498 2.793 0 50 FFAA C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@]2(CCOC2)O1 225441891 XNQOHPHQHQFWKZ-BZNIZROVSA-N 372.234 2.537 0 50 FFAA CN(C)c1noc(COC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n1 225607615 QIZUICBWYSDILJ-RYUDHWBXSA-N 366.215 2.745 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(O[C@H]2CCOC2)cc1 329863123 RPKRYENDKLBJHP-IRXDYDNUSA-N 370.453 2.834 0 50 FFAA Oc1n[nH]c([C@@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCO3)n1 333200477 XPFKKWIKQWDGKO-LBPRGKRZSA-N 350.806 2.662 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(C/C=C/c3ccco3)C2)nn1 12512793 GRESQWXTEJPXPV-YXMGTMDOSA-N 357.458 2.703 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccccc3CN(C)C)CCO2)c1 365855909 LWWKPNFOLXCTRM-FQEVSTJZSA-N 354.450 2.971 0 50 FFAA Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl 162629828 YOOSYVVWPFFRRY-SSDOTTSWSA-N 367.283 2.709 0 50 FFAA C[C@]1(c2noc(C[C@@H]3NC(=O)c4ccccc43)n2)COc2ccccc2O1 906142005 PIHJKHNZLINSHP-VBKZILBWSA-N 363.373 2.783 0 50 FFAA COc1cc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)ccc1Cl 888097424 ISDFOHVYTFBFOX-ZAWLATJESA-N 352.906 2.918 0 50 FFAA COc1ccccc1NC(=O)C(F)(F)C(=O)Nc1ccccc1OC 1080874 HHCJBTLQPXVYLZ-UHFFFAOYSA-N 350.321 2.916 0 50 FFAA Cc1cc2nc(NC(=O)Nc3cn(C)nc3C3CCC3)cc(N(C)C)n2n1 2325781782 KIVQFMPMWFGHSI-UHFFFAOYSA-N 368.445 2.749 0 50 FFAA Cc1cccc2c1[C@@H](NCc1cnc(N3CCN(C)CC3)nc1)CCC2 2325788403 CWHJZYFJBUDKAW-IBGZPJMESA-N 351.498 2.704 0 50 FFAA CCOCC(=O)N1C[C@@H](CNC(=O)C(C2CCC2)C2CCC2)C[C@H]1C 2325793883 KOCYJUMVXBTIHY-HUUCEWRRSA-N 350.503 2.593 0 50 FFAA N[C@@H]1CCc2cc(-c3cc(F)cc(Cn4ccnc4)c3)ccc2NC1=O 2325858506 QAXOEMIJLVNJBU-GOSISDBHSA-N 350.397 2.950 0 50 FFAA C[C@H](CN(C)C(=O)C[C@@H](c1ccccc1)C1CC1)NC(=O)c1cnc[nH]1 2325874750 ZVCYUCPOBXHWIU-PBHICJAKSA-N 354.454 2.570 0 50 FFAA COc1cccc(C(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)c1 208843932 SOPCXGZZIQFEIQ-WOJGMQOQSA-N 353.374 2.598 0 50 FFAA CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 810724 RPTLLDHWIFOWPQ-GOSISDBHSA-N 374.462 2.797 0 50 FFAA Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl 1131010 AMLVLLVXWHFJJB-LLVKDONJSA-N 368.842 2.702 0 50 FFAA NC(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 1218441 XKYHOCRSAGUSLD-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA Cc1ccc(S(=O)(=O)c2nc(SCC(N)=O)sc2Cl)cc1 2824830 SZLFMGWVXHVDAT-UHFFFAOYSA-N 362.885 2.515 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccccc1Cl 2943391 HVYWMVOLJNRGRE-UHFFFAOYSA-N 353.809 2.880 0 50 FFAA COc1cccc(-n2nnc3c(=O)n(Cc4ccccc4Cl)cnc32)c1 4078398 DKEADSCJUXYXOE-UHFFFAOYSA-N 367.796 2.688 0 50 FFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(OC)cc3OC)c2C)cc1 4316307 DIZQLOWDVXMWKL-UHFFFAOYSA-N 368.393 2.854 0 50 FFAA Cc1nccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 4756607 OUVLITFUIHZNCY-UHFFFAOYSA-N 368.418 2.838 0 50 FFAA CCN(CC)CCOC(=O)c1ccc(OC)cc1OCCN(CC)CC 4872253 WTRWHRMXUBOCHO-UHFFFAOYSA-N 366.502 2.914 0 50 FFAA CC[C@@H](C)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 20541040 OAHRHDRHSBPWCO-MRXNPFEDSA-N 368.485 2.682 0 50 FFAA COc1ccc(OC)c(CN(C(=O)C[C@@H]2CCC(=O)N2)C2CCCC2)c1 55568846 CYYNCOWZOLVBJJ-HNNXBMFYSA-N 360.454 2.644 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)o1 67742409 KXOQOWSBQUPFBS-NRFANRHFSA-N 356.466 2.664 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1 65507358 JCNDZTACKCZAAF-INIZCTEOSA-N 359.401 2.914 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)NC2CC2)s1 20601276 PANUSVGZSOEKKL-LLVKDONJSA-N 362.480 2.778 0 50 FFAA Cc1nc(CCNC(=O)CCc2[nH]nc3c2CCCC3)nc2c1CCCC2 67650056 HDRMTDJYWOCYGH-UHFFFAOYSA-N 367.497 2.557 0 50 FFAA O=C([C@@H]1CCCO1)N1CCC(NCCCn2ccc3ccccc32)CC1 65490283 QFRDZTXRIHBSGC-FQEVSTJZSA-N 355.482 2.791 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1ccc3nonc3c1)C2 67956505 USVRALRTHRFSFW-ZDUSSCGKSA-N 369.425 2.517 0 50 FFAA Cc1ccc(F)c(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)c1F 11667679 IFKUSLHLYMCUDT-AWEZNQCLSA-N 373.403 2.723 0 50 FFAA CC[C@@H](C(=O)N1CCC[C@H](C)C1)N(c1ccccc1F)S(C)(=O)=O 67612671 NRDPCIJTOIDLAM-ZFWWWQNUSA-N 356.463 2.629 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc21)N1CCCN(c2nccs2)CC1 171761494 NDKLULITNAJVLM-HNNXBMFYSA-N 372.494 2.931 0 50 FFAA COc1cnc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)cc1O 72120693 NHSOBCZEZKGGTK-IBGZPJMESA-N 355.482 2.935 0 50 FFAA CCC(CC)NC(=O)c1cccc2c1CN(CCc1cn(C)cn1)C2=O 72476983 JLYNTILZSGMBSF-UHFFFAOYSA-N 354.454 2.537 0 50 FFAA CCc1cc(N2CCC(CCC(=O)N3CCCC3)CC2)n2nccc2n1 72409077 ZUYYROHMKDOHTA-UHFFFAOYSA-N 355.486 2.911 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)[C@H]1CC(Cc2cccc(Cl)c2)=NO1 12280011 JAIBHMJRROQMCV-QGZVFWFLSA-N 360.845 2.728 0 50 FFAA COC(=O)Cc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1 121462364 ILTQBCWDMPSWOP-INIZCTEOSA-N 370.405 2.629 0 50 FFAA CCn1nc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1C 72129238 DDUKIAJIVPOVHX-IBGZPJMESA-N 352.482 2.527 0 50 FFAA Cc1cnc(CNC(=O)CCc2nnc(CCC3CCCCC3)o2)cn1 12577332 HQCQNRWIHLAVCQ-UHFFFAOYSA-N 357.458 2.930 0 50 FFAA CS(=O)(=O)c1ccc(CN2CC[C@H](c3ccccc3C(=O)O)C2)cc1 72163445 BNBPOGXQZKRCJX-HNNXBMFYSA-N 359.447 2.778 0 50 FFAA O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CC[C@@H](N2CCCC2)C1 363690657 IYAYSPVBSJZJMH-OAHLLOKOSA-N 368.456 2.810 0 50 FFAA O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCOC[C@@H]1[C@@H]1CCCO1 376248756 FPNGPEYKNAFXQR-SJORKVTESA-N 366.408 2.586 0 50 FFAA Ic1ccc(-c2csc(N3CCNCC3)n2)cc1 236204386 SRKGPFSRFLRMPG-UHFFFAOYSA-N 371.247 2.824 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 131008065 GFUPAFMFFKZMEX-WMZOPIPTSA-N 364.449 2.583 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 72424086 HRAUJUIVILIEOY-SFHVURJKSA-N 358.482 2.521 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)O)C1 263186920 SFKISTKQYIZIQB-PIGZYNQJSA-N 354.834 2.781 0 50 FFAA CCc1nccn1CCCNc1nc(-c2ccncc2)nc2c1cnn2C 72164981 LHQXPBDIMRLSFM-UHFFFAOYSA-N 362.441 2.686 0 50 FFAA O=C(Nc1cc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)ccn1)C1CC1 285476584 ZYHVQHQYLISOKF-QGZVFWFLSA-N 369.396 2.783 0 50 FFAA Cc1nc(C(=O)N[C@@H]2C=C[C@H](CO)C2)nn1-c1c(Cl)cccc1Cl 176035499 VGSLVPCGLQMUBE-WDEREUQCSA-N 367.236 2.549 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2nnc([C@@H]3CCCO3)s2)[C@@H]1c1ccccc1 40284423 ZKIPKPXGNRMWDA-YDHLFZDLSA-N 372.450 2.548 0 50 FFAA CC1=C(C)CN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C)CC1 290277932 VCOLVSSNZDZNOL-UHFFFAOYSA-N 374.514 2.630 0 50 FFAA CN1C(=O)[C@@]2(CCCN(C(=O)NCc3cccs3)C2)c2ccccc21 426477385 LRPWMUSZBFQKNX-LJQANCHMSA-N 355.463 2.968 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)CCn1c(CO)nc2ccccc21 97480530 UXCCFAIJNAPDST-IBGZPJMESA-N 367.449 2.501 0 50 FFAA CCCN1CCC(CNC(=O)N(CCO)Cc2sccc2C)CC1 426658549 UAZOZIMREHDRCM-UHFFFAOYSA-N 353.532 2.682 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(CC(C)C)no2)n1 92100004 XVXIZDGKWXGLKE-UHFFFAOYSA-N 356.348 2.963 0 50 FFAA Cc1c(Cl)cc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)O)cc1Cl 95496583 QMWGUSQJWMDRLS-CYBMUJFWSA-N 354.193 2.677 0 50 FFAA CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CO)CC1 334160618 ITLCVOOZAVDUID-ACAXCVFMSA-N 374.525 2.673 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)cc(=O)[nH]1 91935249 QRDJYZYAUZHFOQ-SFHVURJKSA-N 351.450 2.589 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc(CN3CCOCC3)cc2)sc1C 96149846 CFJZPHOTGNHYCZ-UHFFFAOYSA-N 374.510 2.956 0 50 FFAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCc1csc(N)n1)CC2 97532768 KCTHGWURIMYHRR-NSHDSACASA-N 361.467 2.821 0 50 FFAA C[C@@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccc(OC(F)(F)F)cc1 181450481 RKSPLYHQIMSUSQ-SECBINFHSA-N 365.315 2.753 0 50 FFAA CCN1CC2(CCN(CCC(=O)N(C)C)CC2)C[C@@H](c2ccccc2)C1=O 95361973 FZNMDIUIYXLKNZ-IBGZPJMESA-N 371.525 2.583 0 50 FFAA CCn1cc(NC(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nn1 96137912 RKZYPPKAFQVTHY-ZDUSSCGKSA-N 353.430 2.661 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cs1 96153692 ORYWDRBNNOVMKA-MRXNPFEDSA-N 374.466 2.682 0 50 FFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)NCCCN1CCCC1=O 95521858 IGMBFJWNKFPMCZ-HNNXBMFYSA-N 355.442 2.626 0 50 FFAA CC(=O)Nc1cccc(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c1 240499924 NOVPQUZEXJODGV-HNNXBMFYSA-N 358.486 2.532 0 50 FFAA COc1ccc(F)cc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 299122630 ABQXKFRXKGIQAJ-UHFFFAOYSA-N 352.406 2.964 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nc(C2CCCC2)no1 299744586 PHFMUJDIPFZISY-ZNMIVQPWSA-N 361.442 2.904 0 50 FFAA Cc1cccc(-c2noc([C@H](C)NC(=O)N3CC(N4CCCCC4)C3)n2)c1 534661915 GRVCRPNAIPWTDQ-HNNXBMFYSA-N 369.469 2.986 0 50 FFAA CN(Cc1ccc2c(c1)OCO2)C(=O)NCc1noc(C2CCCC2)n1 534631778 UTRQZRUWOCTMHR-UHFFFAOYSA-N 358.398 2.798 0 50 FFAA COCCN1CCC(CN2CCN(c3nccc4ccccc34)CC2)CC1 65491488 ZCQWWJINRKNVLL-UHFFFAOYSA-N 368.525 2.715 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@@H]1CCCN(Cc2cccnc2)C1 299779906 HKZMBHQNLJJXJU-MRXNPFEDSA-N 361.392 2.519 0 50 FFAA COc1cccc2c(S(=O)(=O)N3CCC(=O)[C@@H]4CCCC[C@H]43)ccnc12 299804181 GUYMHKQUSRKKGY-UKRRQHHQSA-N 374.462 2.766 0 50 FFAA O=C(NCc1sc2ccccc2c1Cl)NC[C@@H]1CCS(=O)(=O)C1 828032789 RFWGHYJABLONKE-JTQLQIEISA-N 372.899 2.789 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1F 952981819 NZIKJBADEAMJHW-GOSISDBHSA-N 372.425 2.589 0 50 FFAA Cc1cccn2c(CC(=O)Nc3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cnc12 952983869 WZCNSTNVRRUKTJ-CYBMUJFWSA-N 364.405 2.568 0 50 FFAA O=C(CCc1cccnc1)NCC1CCN(C(=O)[C@H]2CC=CCC2)CC1 952980023 FAABZPQRUKTAHD-IBGZPJMESA-N 355.482 2.725 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@@H]2c2nncn2C)ncn1 275693589 MYFGAJXPLCGNMG-DAYGRLMNSA-N 371.489 2.562 0 50 FFAA CCCc1nc(C)cc(N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n1 1565510763 IVGRVSMGLKJZGT-HOTGVXAUSA-N 361.515 2.550 0 50 FFAA CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C1 277023482 JKEGEQFMRYHWIL-ZDUSSCGKSA-N 360.845 2.796 0 50 FFAA COCCOC(=O)Nc1cccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1 170635802 SBFXYGLACNWYPP-QGZVFWFLSA-N 374.368 2.963 0 50 FFAA Cc1cnc([C@H](C)NS(=O)(=O)c2c(Cl)nc3ccccn23)s1 170654416 LNFZEVBNGMWFRE-VIFPVBQESA-N 356.860 2.792 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1F 192574909 LMLDSDCMSQRAEC-KRWDZBQOSA-N 356.397 2.755 0 50 FFAA COc1ccccc1Nc1ncccc1C(=O)N1CCN2CCC[C@H]2C1 195320275 ULWKECLZXFCSIR-HNNXBMFYSA-N 352.438 2.754 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)c2[nH]nc(N)c2-c2ccccc2)no1 1506417657 AYQPHJJEGAVHDA-UHFFFAOYSA-N 354.414 2.513 0 50 FFAA Cn1nc2c(c1NC(=O)CCc1nc(-c3ccccc3F)no1)CSC2 1529181251 QJWGJKKMXVAFNE-UHFFFAOYSA-N 373.413 2.927 0 50 FFAA Cc1nc(CCNc2ncccc2C(=O)N2CCCC2)nc2c1CCCC2 1529159955 VEYMWHRMQDUSHY-UHFFFAOYSA-N 365.481 2.949 0 50 FFAA CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)Nc2cc(C)ccc2C)CC1 1775976498 AMXWGYLEOLBBSO-IBGZPJMESA-N 372.513 2.854 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1C[C@H]3C[C@@H](O)C[C@H]3C1)O2 1775982789 DQWZEJRZIAWVKY-YJXLLHPSSA-N 359.466 2.630 0 50 FFAA CCN(CC)CCOC(=O)CCCCSc1ncnc2[nH]cnc12 5349486 APTBKHFVFLDBET-UHFFFAOYSA-N 351.476 2.500 0 50 FFAA CC[C@H](C)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19842027 GMKPDTMLHNHWRH-INIZCTEOSA-N 356.470 2.521 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)[nH]n1 19852242 SCULGKHUUVJDQH-UHFFFAOYSA-N 365.441 2.664 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@]1(C)CCCCO1)CC2 1857682846 UHMONRISMXFNTQ-OAQYLSRUSA-N 353.466 2.974 0 50 FFAA Cc1ccc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c2cccnc12 408133171 MZRWPRHOABMXBW-CVEARBPZSA-N 362.495 2.961 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c1 332246021 WRGAYBCMGNFVIO-CYBMUJFWSA-N 363.435 2.988 0 50 FFAA Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 363659604 AVQZHLKPZBSKIZ-HNNXBMFYSA-N 360.889 2.876 0 50 FFAA COc1ccc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)cc1Br 153506917 BSDWRPINMAZJFL-TXEJJXNPSA-N 355.276 2.599 0 50 FFAA COCc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 374843647 VTDAKZFBZQOAMQ-AWEZNQCLSA-N 356.426 2.534 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@]1(CC(=O)O)CCOC1 262961549 MCHUIYCVDQPFCS-BJOHPYRUSA-N 362.209 2.511 0 50 FFAA COc1ccc(F)cc1CN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704350251 XZBCQTQHCMFYPB-FPOVZHCZSA-N 373.424 2.715 0 50 FFAA CC(C)Cn1[nH]c(CC(=O)N2CC(c3ccccc3)(C(C)C)C2)cc1=O 820718371 AGCMNWLWKGFRDT-UHFFFAOYSA-N 355.482 2.811 0 50 FFAA CN(C(=O)c1cnc(Cl)nc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1857779014 BSWSBVLFSWKWSP-ZDUSSCGKSA-N 368.865 2.992 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@]23CCC[S@](=N)(=O)C3)c1 1875368760 NZSSNCCGJYIDND-CJAUYULYSA-N 361.467 2.626 0 50 FFAA C=CC(=O)N1CCN(C(=O)[C@H](C)c2ccc(Br)s2)[C@@H](C)C1 1875381426 UTLOFILBEFGLGH-WDEREUQCSA-N 371.300 2.859 0 50 FFAA O=C(NCCc1ccn(-c2ccccc2)n1)c1ccnc(C(F)(F)F)n1 1875316314 IHZPGLRJMVRFIK-UHFFFAOYSA-N 361.327 2.654 0 50 FFAA CCOc1cccnc1S(=O)(=O)N1CCc2ccc(F)cc2[C@@H](C)C1 1875312905 JPZBSSZHZDVYHB-ZDUSSCGKSA-N 364.442 2.970 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(-n2nccn2)cc1 1875334137 AMZJCEXEUTXKMS-SFHVURJKSA-N 354.435 2.542 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cccc3nsnc23)C12CCC2 1875404926 CGNTXEINGVZSSF-XTBFLFJDSA-N 356.495 2.864 0 50 FFAA Cc1ccncc1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 888078209 YYJNHOCVKPASOV-HNNXBMFYSA-N 374.462 2.730 0 50 FFAA Nc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)sc2ncccc12 9295652 KRJDMDTZWKKRSE-UHFFFAOYSA-N 354.435 2.967 0 50 FFAA C[C@@]1(CNc2ccc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cn2)CC=CCC1 2325825401 OUKCHOVIMOTHHE-NHCUHLMSSA-N 368.481 2.592 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC[C@H](O)[C@]1(O)CCOC1 2325860811 VIYMIGWLPZQDCG-SZMVWBNQSA-N 357.878 2.538 0 50 FFAA O=C1COc2cc(NC(=O)c3cc(-c4ccc(F)cc4)[nH]n3)ccc2N1 131186145 DGAYZRPIUHJMQB-UHFFFAOYSA-N 352.325 2.799 0 50 FFAA CCc1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 1136929 WANHSWGOLOSXRW-UHFFFAOYSA-N 354.450 2.985 0 50 FFAA O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1155038 RLLFMUSVVVNNRS-UHFFFAOYSA-N 350.484 2.924 0 50 FFAA O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc2ccccc12 1849544 CMOVKKSRKLVSAR-UHFFFAOYSA-N 361.397 2.925 0 50 FFAA O=C1CC[C@@H](N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CCN1 2356141496 DVKVEXBXWAIKQP-OAHLLOKOSA-N 353.466 2.700 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cnccn3)C2)[C@@H]2CCCC(=O)N12 2356152901 GPISFJNVNYLMPA-NEPXVJNWSA-N 370.497 2.754 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 2871764 FRLLOKAJHWPHAT-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA CCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OC 6389443 MFRHFEWSEQENDR-UHFFFAOYSA-N 358.398 2.748 0 50 FFAA CSc1ncc(Cl)c(C(=O)N2CCN(c3ccccc3F)CC2)n1 6669466 GFMPDGRYEFDEPW-UHFFFAOYSA-N 366.849 2.953 0 50 FFAA CCc1ccccc1N1C[C@@H](C(=O)N2CCC(CC)(CO)CC2)CC1=O 134599244 ZVRGIFWDBLUXDQ-KRWDZBQOSA-N 358.482 2.613 0 50 FFAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 247757024 FAUMJOJXRVUPGL-OWCLPIDISA-N 361.486 2.716 0 50 FFAA CCc1nn2c(=O)cc(CN(C)Cc3nc4ccccc4s3)nc2s1 28723239 JMSPKYJMRSTWCN-UHFFFAOYSA-N 371.491 2.955 0 50 FFAA Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1 23128977 FOPXUDOUFOSDCF-QGZVFWFLSA-N 369.513 2.786 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC[C@@H](c2ccn[nH]2)C1 67740914 GCVCMLQKPBKWDF-GFCCVEGCSA-N 361.829 2.783 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@H](CCc2ccccc2)C1 12463612 RWTBNRYPFMBPMQ-OAHLLOKOSA-N 359.447 2.993 0 50 FFAA Cc1cc(NC(=O)CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)no1 67432093 LPDLAKOHGSEJFX-UHFFFAOYSA-N 374.347 2.913 0 50 FFAA CN1CCC2(CC1)CN(C(=O)c1ccc(-c3ccccc3)[nH]1)CCCN2C 67674769 KFRMCPFKASRCMY-UHFFFAOYSA-N 366.509 2.924 0 50 FFAA O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1Cc1cccnc1 36357271 LFWKACFHBXKNTR-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cc(C4CC4)on3)CC2)oc1C 171889231 MAPGPUCRNDHTAK-UHFFFAOYSA-N 358.442 2.799 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Cc3csc(C)n3)[C@@H](C)C2=O)cc1 72408692 JCULBMNUECEDNA-AWEZNQCLSA-N 357.479 2.562 0 50 FFAA O=C(CCc1ccoc1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328622318 IKLMZTCUHPREEF-QGZVFWFLSA-N 355.438 2.887 0 50 FFAA CCN1CCC[C@@H](CN(C)[C@H]2Cc3ccccc3[C@H]2O)[C@@H]1c1cnn(C)c1 328641275 QOHSZGPSLPBETR-GUGJDKNPSA-N 368.525 2.783 0 50 FFAA Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 33359627 CLSBTHIRGQNQNV-UHFFFAOYSA-N 363.439 2.656 0 50 FFAA O=C(c1ccccc1)[C@@H]1CCCN(c2nc3nonc3nc2NC2CC2)C1 12584835 YYPOHMCIJWESSL-CYBMUJFWSA-N 364.409 2.686 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1CCC([C@H](O)c2ccccn2)CC1 216063255 NJDTXVCEVSRHQK-IBGZPJMESA-N 372.490 2.752 0 50 FFAA O=C(NCC1CCN(Cc2cccs2)CC1)NOCC(F)(F)F 363787114 WEUWRNPLQMQCJZ-UHFFFAOYSA-N 351.394 2.753 0 50 FFAA CN1CCC(CNC(=O)c2cc3ccccn3c2)(N2CCCCC2)CC1 172752830 WGULQSMLQMLVEZ-UHFFFAOYSA-N 354.498 2.619 0 50 FFAA C[C@]1(CCc2ccccc2)CCN(C(=O)c2cn(C3CCNCC3)nn2)C1 262617249 DRQDJIQYIKLPBK-NRFANRHFSA-N 367.497 2.688 0 50 FFAA Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)n1 172857227 HCIXALAKCPKJRP-CVEARBPZSA-N 369.421 2.659 0 50 FFAA COc1cccc(-n2cc(CN[C@H]3CCOC4(CCOCC4)C3)cn2)c1 77355849 OQMVKAXLAICTSL-KRWDZBQOSA-N 357.454 2.699 0 50 FFAA COc1ccc(-c2nnc3sc(-c4nnsc4C)nn23)cc1OC 65356340 NLVGNITVNFNDHV-UHFFFAOYSA-N 360.424 2.697 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCn3nccc3C)CC2)OC1=O 77523438 XXQJLOQIQBZQHB-OAHLLOKOSA-N 362.474 2.584 0 50 FFAA C[C@]1(CN)CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 261782325 GEPFUYCRPBNQID-LJQANCHMSA-N 367.478 2.807 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccn3nnnc3c2)cc1 77380117 IJVGBOGOEWYESI-SFHVURJKSA-N 364.453 2.553 0 50 FFAA C[C@@H](Oc1ccccc1CN(C)Cc1nc(-c2cccnc2)no1)C(=O)O 72140119 SDTKNAUFFSBLKS-CYBMUJFWSA-N 368.393 2.616 0 50 FFAA C[C@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237538447 MACDDXVAEUBKRQ-RISCZKNCSA-N 359.344 2.901 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1c[nH]nc1-c1cccs1 77321323 FEPZLBNBNGVMNK-UHFFFAOYSA-N 366.406 2.855 0 50 FFAA C[C@](O)(C(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccccc1C(F)(F)F 241587789 OXFJLPYFFGZVOI-USXIJHARSA-N 359.388 2.970 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H](O)c1ccc(F)cc1 72429907 KYGUEDJFAFBADT-GOSISDBHSA-N 357.360 2.843 0 50 FFAA O=C(O)CN(C(=O)/C=C/c1ccc(Br)s1)C1CCOCC1 238106459 VKXRXFWZVHUCAN-DUXPYHPUSA-N 374.256 2.616 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1[C@@H]1CCNC1 72152611 XYXWIDSOGYJOOJ-LJQANCHMSA-N 360.461 2.938 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C1CCN(CCc3ccccc3)CC1)C2 221434039 NWSORHOGAFKZFR-GOSISDBHSA-N 368.525 2.849 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 82083642 VJJSSTCEOUZLBG-MRXNPFEDSA-N 358.413 2.695 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)NCC(C)(C)N3CCCC3)CC2=O)c1 426674332 WAVGXKYZHHHWIW-UHFFFAOYSA-N 372.513 2.536 0 50 FFAA FC(F)(F)c1cccc(-c2cnnc(NCc3nnc4n3CCC4)n2)c1 19338087 ZKMKBHDGBWVIBY-UHFFFAOYSA-N 361.331 2.707 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]2C[C@H](O)C2)c1 223722991 LRTNLQRFGAUJLH-IMFGXOCKSA-N 352.434 2.821 0 50 FFAA COc1cc(CNC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)ccn1 291541768 SWICTAOWKPLWPT-OAQYLSRUSA-N 369.465 2.617 0 50 FFAA CC(C)(CCC(=O)O)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 236839736 YOTBQWDHDGPBAH-HNNXBMFYSA-N 350.434 2.797 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95373666 ZRCGMRAWKCESQT-OAHLLOKOSA-N 353.470 2.915 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 179465605 OIXNLMMGUYQGDC-LJQANCHMSA-N 370.412 2.765 0 50 FFAA O=C1CC[C@@H](c2nc(-c3cn4ccccc4n3)no2)CN1Cc1ccccn1 91664724 XNQQRICDNITYOS-CQSZACIVSA-N 374.404 2.686 0 50 FFAA O=C(NCCc1nc2ccccc2s1)c1coc(CN2CCOCC2)c1 95371987 DGJTVXKBAMFRDS-UHFFFAOYSA-N 371.462 2.694 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@H](c2ccccc2F)N(C)C)CC1 91857990 TZBOVEWICWQSRZ-IBGZPJMESA-N 358.461 2.872 0 50 FFAA COCCc1nc(-c2ccc(OCC(N)=O)cc2)n(C2CCCCC2)n1 96140964 FWMKXRDWAMQCMT-UHFFFAOYSA-N 358.442 2.503 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1C 91434960 RQUJWVHAZSHCTC-GOSISDBHSA-N 366.465 2.973 0 50 FFAA COc1c(C)cc(C)cc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 91768791 HVFQMWFSKKUDRS-UHFFFAOYSA-N 374.525 2.899 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C/C=C/c1ccccc1)CCO)C2 92028193 JVNPHMKBRJVTRA-MTCRFPMVSA-N 367.445 2.781 0 50 FFAA Cc1ccccc1-c1nc(C2CC2)nn1-c1cc(S(N)(=O)=O)ccc1F 95498816 YFPJTZGVQKRIND-UHFFFAOYSA-N 372.425 2.907 0 50 FFAA CN(C)C(=O)c1cc2c(s1)CCN(C(=O)CCCN1CCCCC1)C2 95379750 HNJZAGAEHSKYCW-UHFFFAOYSA-N 363.527 2.601 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)no1 97743062 KGLCIWZGSLXTJN-GOSISDBHSA-N 351.410 2.779 0 50 FFAA CCc1nc(C)c(C(=O)N[C@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)o1 252536269 IALAHLJMUXGHIC-IIYDPXPESA-N 362.401 2.935 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 252510089 ZBDZFHGGYAEHOW-SFHVURJKSA-N 368.481 2.758 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C([Si](C)(C)C)[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3C1 257356020 FGCDLBXCKFNMHJ-XSYQHGFASA-N 362.498 2.535 0 50 FFAA Cc1cccc([C@H](CNC(=O)N2CCN(c3cccnc3)CC2)N(C)C)c1 534674621 JBAYXUZWLAWAQR-FQEVSTJZSA-N 367.497 2.525 0 50 FFAA O=C(NCc1ccco1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263617279 NBCTZXSTVJBDTB-OAHLLOKOSA-N 358.785 2.726 0 50 FFAA Cc1ccc([C@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c(C)c1 299790922 DKXDXFIZONVKBJ-JOCHJYFZSA-N 366.509 2.542 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1OC(F)F 299801010 UTEMZTIQHZQNIY-AWEZNQCLSA-N 354.397 2.661 0 50 FFAA CCn1c(=O)c(C(=O)Nc2cc([N+](C)=O)ccc2O)c(O)c2ccccc21 299738252 NCJVJNSHOJRRQR-UHFFFAOYSA-O 368.369 2.725 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2C1)C1(c2ccccc2)CCNCC1 299792284 FQKOUMBVNNDUAS-QGZVFWFLSA-N 350.462 2.675 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)nc2ncnn12 299773464 BZHANIBPJIQROG-HNNXBMFYSA-N 351.410 2.541 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCC(=O)NC[C@H]3C)c2)c2ccccc2n1 584899589 PXGYZBHXZAFNDH-CQSZACIVSA-N 374.444 2.956 0 50 FFAA COc1ccc(-c2csc3ncn([C@H]4CCNC4)c(=O)c23)c(OC)c1 670434624 JCFCQNCDPOIOOB-NSHDSACASA-N 357.435 2.677 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)S(=O)(=O)N1CCC(C)(C)CC1 952973039 WBZUWQSEFISZNP-KRWDZBQOSA-N 365.543 2.812 0 50 FFAA COc1ccc(CCN(Cc2cccnc2)C(=O)C2=C(C)OCCO2)cc1 952969532 OAAWKIBYPQYSOO-UHFFFAOYSA-N 368.433 2.940 0 50 FFAA Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 272407256 DWMDHZNNWVARFK-NXEZZACHSA-N 365.384 2.917 0 50 FFAA CC(C)N(C)Cc1cccc(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)c1 275566510 QGXQAAIOUOYVNC-SFHVURJKSA-N 370.497 2.694 0 50 FFAA CC(=O)N[C@@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)C1CCCC1 187184660 GNILWFJHIBFBIU-QGZVFWFLSA-N 355.442 2.630 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc4cc(OC)ccc4[nH]3)CCN12 1529126425 JFTPAMBCGFVYSM-JKSUJKDBSA-N 357.454 2.502 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1 1704315729 CKACCCMSMNOYTN-UHFFFAOYSA-N 354.376 2.941 0 50 FFAA COc1cc(-c2onc(NCC[C@H](C)N(C)C)c2C(=O)O)ccc1F 1704326194 XIVYNCLMARKRBE-JTQLQIEISA-N 351.378 2.940 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1704298235 HUSQKBQUUZTPJU-IEBWSBKVSA-N 360.479 2.741 0 50 FFAA CC[C@@H]1CN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)CCN1C 1704325452 LWDPTSUDFGKVSJ-GFCCVEGCSA-N 363.389 2.718 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 216949376 XFQLSIXVTFAKKH-SJORKVTESA-N 368.433 2.658 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@@H](C)c2cnn(C)c2)co1 11932877 LFZCMSAJWQXRPV-ZDUSSCGKSA-N 370.409 2.795 0 50 FFAA CCn1ccnc1CN1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(F)cc1 12316146 UBRALCJVWWANRU-ZWKOTPCHSA-N 372.444 2.680 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2=O)c1OC 12440012 SQUISOOZOSPLLR-OAQYLSRUSA-N 374.481 2.701 0 50 FFAA C[C@H]1CN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@@H](C)O1 12716367 XQTBLEDMAZFGKX-PHIMTYICSA-N 352.337 2.781 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CC[C@H](COC)C3)nc2)n1 15069547 AOZSDQUMURBIKA-ZDUSSCGKSA-N 360.483 2.503 0 50 FFAA O=C(N[C@]1(C(=O)O)CC[C@@H](O)C1)OCC1c2ccccc2-c2ccccc21 15446459 FPTJRPYTKCYJLR-LRTDBIEQSA-N 367.401 2.893 0 50 FFAA O=C(O)[C@H]1CN(C(=O)C2CC=CC2)CC12CCN(Cc1ccccc1)CC2 1857681926 QHPYYKVQQZIVED-LJQANCHMSA-N 368.477 2.778 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2ccc3nc(C)[nH]c3c2)C[C@@H]1c1ccc(C)o1 220299440 NNCCJBJDAQSFHC-YJBOKZPZSA-N 366.421 2.517 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 246766613 LQHVKURSPRHQTO-PMPSAXMXSA-N 369.421 2.659 0 50 FFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N(C)Cc2ccccc2)c1=O 15002266 LYYGXEKNYQOTGL-UHFFFAOYSA-N 369.465 2.526 0 50 FFAA COC1(c2ccccc2)CN(C(=O)c2cnc(O)c(C(F)(F)F)c2)C1 935969196 WVQSKZQLDPWREU-UHFFFAOYSA-N 352.312 2.804 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)c1ccccc1NS(=O)(=O)c1ccccc1 864097190 LQEQAQYNVAFMLT-SHTZXODSSA-N 374.462 2.521 0 50 FFAA O=C(Cn1c(C2CC2)nc2ccccc21)NC12CCC(C(=O)O)(CC1)C2 1875317571 DJLBXTJYXZSTRO-UHFFFAOYSA-N 353.422 2.817 0 50 FFAA CCCC1(C(=O)N[C@@H]2CN(C(=O)Cc3cnco3)[C@H]3CCCC[C@H]23)CC1 1875407675 FTFXLGYZMZOINR-ZACQAIPSSA-N 359.470 2.683 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F 886036505 DIIFYPXISACJNY-DZGCQCFKSA-N 353.344 2.840 0 50 FFAA CCCc1nc(CN2CC[C@H](Oc3ccnc(CNC(C)=O)c3)C2)cs1 886071892 GZLVOVRUDOXNRW-SFHVURJKSA-N 374.510 2.780 0 50 FFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H](c1nccn1C)C1CC1 888100867 IOSLFSBJIDKXNI-KBXCAEBGSA-N 353.470 2.921 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C 12203174 WFJHWSMIRBTMPP-BEFAXECRSA-N 350.418 2.562 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)C3(Cc4ccccc4F)CNC3)C[C@H]2C1 2100483939 TYHRBUAYZIWLBY-QGFMHUBQSA-N 373.516 2.535 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N[C@H]1CC[C@H](C(=O)O)CC1 2100545437 VFPGAAHDTOWBGI-HAQNSBGRSA-N 361.373 2.568 0 50 FFAA CCCC[C@@H]1CN(C(=O)CCn2c(C)cc(C)nc2=O)C[C@H](C(C)C)O1 2100548027 SJIYIPPJEURILF-QZTJIDSGSA-N 363.502 2.692 0 50 FFAA CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(N)=O)C1 2092956 RMGAEXNAOYRMGV-JARNTUPDSA-N 364.467 2.967 0 50 FFAA CCOC(=O)C1CCN(C(=O)c2cc3cccc(OCC)c3oc2=O)CC1 6702684 PWPIRWWVZZEHJV-UHFFFAOYSA-N 373.405 2.607 0 50 FFAA C[C@@H](NC(=O)C1CCC1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 2325702168 OPXKHEUYJVXZIA-CYBMUJFWSA-N 371.412 2.934 0 50 FFAA C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc2nc(-c3ccccc3)[nH]c12 2325799134 XAVNHBHPKDCPEX-ZDUSSCGKSA-N 371.462 2.783 0 50 FFAA COc1ccnc(-c2nc(-c3cccc4nc[nH]c34)n([C@@H]3CCOC3)n2)c1 2325863161 XVTOPGQPVFMAMO-GFCCVEGCSA-N 362.393 2.853 0 50 FFAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)c1 1131234 COYGTTZQWIWHPW-UHFFFAOYSA-N 357.435 2.700 0 50 FFAA Cc1ccc(N2C(=O)N[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1C 2863484 OBBKLZYJMJTLMH-INIZCTEOSA-N 371.359 2.781 0 50 FFAA CCc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1 2890067 RBVQGZPCFNGEKB-AWEZNQCLSA-N 356.403 2.766 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)NCc3ccccc3)C1)CC2 2356159941 WSRSEOXXNVCICE-NRFANRHFSA-N 365.481 2.732 0 50 FFAA COc1cccc(SCC(=O)N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)c1 2356167527 RELQJZOJCOLLFO-ZNMIVQPWSA-N 362.495 2.503 0 50 FFAA O=C(CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCCCC1 4833087 SFZVYYUUMNKPCL-UHFFFAOYSA-N 355.221 2.992 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1OC 10008816 ZYVPZAZECASJNI-UHFFFAOYSA-N 362.451 2.781 0 50 FFAA Cc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1Br 8715882 UQGWAKNHKCDJQE-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA Cc1cccc2oc(CCNC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)nc12 225426543 URVWFCUZXLNKDT-AWEZNQCLSA-N 355.438 2.586 0 50 FFAA O=C(NCc1ccc(CN2CCCCC2)cc1)N1CC[C@@]2(CCNC2)C1 416890711 MAQWNHQJOWNJNV-OAQYLSRUSA-N 356.514 2.568 0 50 FFAA CC(=O)N1CCC[C@H](CNC(=O)Nc2nnc(-c3cccs3)s2)C1 55035795 QYXDORAWPVEWOH-LLVKDONJSA-N 365.484 2.647 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c1 67621593 KAUHJHGFAZIVRU-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cn1ccnc1CN1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12446311 ZKNMJZGYKBGMEV-HXUWFJFHSA-N 356.445 2.574 0 50 FFAA Cc1cc(N)n(CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)n1 67855633 VWQNUZHNMXOLPF-UHFFFAOYSA-N 373.363 2.556 0 50 FFAA CC[C@]1(CO)CCCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67872980 QWMCYMLGARTMJO-IBGZPJMESA-N 361.417 2.753 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccnc3)N3CCCC3)n[nH]2)o1 67852353 BDIJKAXXJGRWGZ-SFHVURJKSA-N 365.437 2.940 0 50 FFAA O=C(C(=O)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1)c1cccnc1 67755931 MMCUIQGVQXCLCG-GOSISDBHSA-N 374.444 2.984 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@H]1C[C@H]2CC[C@H]1O2 252516474 SSPYDZMKUDCCIE-GUIRCDHDSA-N 352.381 2.550 0 50 FFAA O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1nc2ncccn2n1 2808319 POZHMJSVKGDMIE-UHFFFAOYSA-N 369.388 2.775 0 50 FFAA CN1CCN(CCCNC(=O)CCc2cncs2)[C@@H](c2ccccc2)C1 432501609 QIQNVYCVWIAEBX-LJQANCHMSA-N 372.538 2.571 0 50 FFAA Cc1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)[nH]n1 72410958 JBWHTFVTDDPAOU-UHFFFAOYSA-N 353.344 2.861 0 50 FFAA CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 326951837 FYBBYBUOXVULEK-UHFFFAOYSA-N 363.410 2.763 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCOC2CCCC2)n1C 328621624 HXKAMTRGVSLHBV-GOSISDBHSA-N 361.486 2.788 0 50 FFAA COCc1noc([C@H](C)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623888 CBXDYNQPKWEGCG-QWRGUYRKSA-N 373.379 2.687 0 50 FFAA Cc1nc(-c2ccccc2NC(=O)N2CCC(C3OCCO3)CC2)no1 363389330 JLLPODCKKGJLMV-UHFFFAOYSA-N 358.398 2.662 0 50 FFAA CCn1ccnc1CN1C[C@@H](NC(=O)C2CC2)[C@H](c2ccc(C)cc2)C1 77525055 GECUSUNHDURTHO-RBUKOAKNSA-N 352.482 2.706 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F 172845671 NIIWGAAWMBSFPS-GDBMZVCRSA-N 354.360 2.965 0 50 FFAA CCCc1nnsc1C(=O)N1CCN(c2ccccc2OC)C[C@@H]1C 72473090 KETZIMMNUHVWDT-ZDUSSCGKSA-N 360.483 2.850 0 50 FFAA Cc1ccccc1-n1cc(CN2CC[C@H](OCc3c(C)noc3C)C2)nn1 370730989 SCEWZHBTUQRGNT-SFHVURJKSA-N 367.453 2.972 0 50 FFAA C[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)Oc1cccnc1 72469702 NTERRONYAGCUTG-CYBMUJFWSA-N 361.409 2.700 0 50 FFAA C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 445193687 TVARQKJFHQPWDM-AWEZNQCLSA-N 374.444 2.997 0 50 FFAA O=C(NC1CCN(C2CCOCC2)CC1)c1cccc(OC(F)F)c1 219842529 YFEVQDNMDONRAF-UHFFFAOYSA-N 354.397 2.661 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC([C@H]2CCOC2)CC1 373252132 LAUIGJREEUZRSJ-AWEZNQCLSA-N 361.408 2.918 0 50 FFAA O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)NCc2cccnc2)CC1 373980717 JCPKEAGNMCSKCS-GOSISDBHSA-N 350.422 2.739 0 50 FFAA CCCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77374974 JRQBLUVSVZRPKI-FQEVSTJZSA-N 358.486 2.706 0 50 FFAA Cn1cccc1[C@H]1CCCCN1C(=O)CCN1C(=O)COc2ccccc21 173561115 HUKSAYDGYGOREM-QGZVFWFLSA-N 367.449 2.894 0 50 FFAA O=c1ccnc2sc(N[C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)nn12 241124183 JGDGOGXOFJJFNY-QWHCGFSZSA-N 364.377 2.841 0 50 FFAA Cc1ccc([C@@H](CNC(=O)C2(c3ccc(F)cc3)CC2)N2CCOCC2)o1 44337656 XVVSQITWELGYIT-GOSISDBHSA-N 372.440 2.948 0 50 FFAA C[S@@](=O)C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1ccccc1 130073627 IUSYBLXNUNBFGH-QLXKLKPCSA-N 369.450 2.509 0 50 FFAA CC(C)Oc1ccc(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c(F)c1 284601541 IPOTXJOJHAZGAM-CYBMUJFWSA-N 355.431 2.766 0 50 FFAA O=C(Cc1c[nH]c2ccc(F)cc12)OC[C@H]1CNC(c2ccccc2)=NO1 132605355 ZZYJPRAPZGPDLM-MRXNPFEDSA-N 367.380 2.743 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCCN2C(=O)C2CC2)CC1 223777402 OKRDDFPVFQFRIU-FQEVSTJZSA-N 369.509 2.825 0 50 FFAA CCc1cc(N2CCC(NC(=O)Nc3ccc(OC)c(F)c3)CC2)ncn1 175471086 HWCNDSCHMNQCGF-UHFFFAOYSA-N 373.432 2.977 0 50 FFAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@@H]1CCN1CCOCC1 82121382 FSANNKHTRWACBA-MRXNPFEDSA-N 374.510 2.855 0 50 FFAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 46813828 RXNQBLULPVZETK-CQSZACIVSA-N 374.400 2.856 0 50 FFAA O=C(CCC(F)(F)F)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82115371 WEVKGGQTUBRYRR-UHFFFAOYSA-N 358.408 2.990 0 50 FFAA O[C@H]1C[C@H]([C@H](Cc2ccccn2)NC2CCN(Cc3ccco3)CC2)C1 222337540 TZJFRWFOGORGAI-SCWSEQNSSA-N 355.482 2.611 0 50 FFAA CCc1cnc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)s1 177067823 DDUGNQAZZANIKH-UHFFFAOYSA-N 361.471 2.601 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)N1CCC(O)(c2ccccc2)CC1 426411598 ZCSDXPYNXHKAIH-UHFFFAOYSA-N 368.481 2.872 0 50 FFAA N[C@H](Cc1ccccc1)C(=O)N1CCC(c2nccn2CC2CC2)CC1 82138325 OEKSWUXGAQWMMX-LJQANCHMSA-N 352.482 2.569 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc(O)n1 289845650 USICZTABBMKFPQ-LLVKDONJSA-N 370.331 2.951 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)NCCN1CCC[C@H](CO)C1 426488554 WGVNKQQQPRLOQS-AWEZNQCLSA-N 373.419 2.551 0 50 FFAA O=C(CCc1cccnc1)N1CCC(c2nnc3n2CCCCC3)CC1 82114595 LQAXIBPLIZPQIZ-UHFFFAOYSA-N 353.470 2.738 0 50 FFAA Cc1ccc(O)c(-c2ccc(C(=O)N3CCN(C)[C@@H](CCO)C3)cc2)c1 426628690 CLSVQPLVVFKDEP-SFHVURJKSA-N 354.450 2.506 0 50 FFAA CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)s1 239235378 VWCOTKSDEHMCLP-TXFQPVFDSA-N 363.435 2.949 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@H](c1ccccc1OC)CNC2=O 95503211 OFHBQSJGKUUSES-ZDUSSCGKSA-N 365.437 2.762 0 50 FFAA O=C1CC2(CCN(C(=O)[C@H]3CCCO3)CC2)CN1C/C=C/c1ccccc1 91625038 VWAALYJAWXUGLA-RRGNZLCHSA-N 368.477 2.720 0 50 FFAA O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CCCC2(CCOCC2)C1 95529298 ZLROBOBOSGANSB-QGZVFWFLSA-N 358.438 2.599 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)cc1F 91492882 PAAATJODFRRQJD-NRFANRHFSA-N 374.456 2.768 0 50 FFAA CC[C@@H](NC(=O)c1cccc(-c2ccc(C(=O)NC)o2)c1)c1cnn(C)c1 426548405 CJRKIOVXBIUMSO-MRXNPFEDSA-N 366.421 2.921 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)NCCCOc3cccnc3)CC2)n1 426537735 RXMNKURUZZZWJR-UHFFFAOYSA-N 373.457 2.946 0 50 FFAA CSc1nccc(N2CCC(NCc3ccc4nsnc4c3)CC2)n1 95380494 RSTCJPYYEZLFJQ-UHFFFAOYSA-N 372.523 2.962 0 50 FFAA CC(C)CN1C[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CCC1=O 91616274 UJTFIZDXUVVKMG-CQSZACIVSA-N 364.873 2.824 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1O)N(C)C 92062441 PHEUGDIYOLSMQC-CYBMUJFWSA-N 362.499 2.882 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(CCc3ccccc3)C2)n1C 95385929 YRJIJWJRWSXQAH-IBGZPJMESA-N 364.497 2.790 0 50 FFAA CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239338644 KWPOZASIPBUJHO-TXFQPVFDSA-N 363.435 2.949 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1C 92098931 BVAWTUVTDYYEKG-QFIPXVFZSA-N 370.493 2.933 0 50 FFAA C[C@H](C(=O)N1CCCCC1)N1CCn2nc(Cc3ccccc3)cc2C1 97785158 PZQSIRDXSWFLTL-QGZVFWFLSA-N 352.482 2.691 0 50 FFAA CN(CCCOc1ccccc1Cl)C(=O)CN1CCCCCC1=O 95506909 SAYRNCAVRRFSDO-UHFFFAOYSA-N 352.862 2.970 0 50 FFAA NC(=O)CN1CCC[C@@H](c2nc(C3CCCC3)nn2Cc2ccccc2)C1 95499662 KDWBKSQIZNHHDT-GOSISDBHSA-N 367.497 2.649 0 50 FFAA O=C(NCc1cc(-c2cccc(F)c2)no1)[C@H]1CC(=O)N(C2CCCC2)C1 92066222 DLTZOVQUFWUTHQ-AWEZNQCLSA-N 371.412 2.888 0 50 FFAA CN1CCCC[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 248096022 DAGWTJCEQLEESV-IEBWSBKVSA-N 351.450 2.653 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c(C)s1 244723705 MFSWTIBGGGOTNI-XJKCOSOUSA-N 352.481 2.550 0 50 FFAA O=C(c1cc(OCC(F)F)ccn1)N1CCCN(C2CCCC2)CC1 181978177 JGVRKEMTHIXXAC-UHFFFAOYSA-N 353.413 2.816 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cn2cccn2)cc1 299743552 LGLFETURCKJNKR-SQNIBIBYSA-N 353.422 2.789 0 50 FFAA Cc1ccc(C(=O)Nc2ncnc3[nH]c(C)c(C)c23)cc1S(C)(=O)=O 182638486 JUXJHIVMGIKBEG-UHFFFAOYSA-N 358.423 2.539 0 50 FFAA COc1ncc(Cl)c(N2CCC[C@@H](CC(=O)N3CCCC3)CC2)n1 299744662 UAYZRSWQQPGHMM-CYBMUJFWSA-N 352.866 2.758 0 50 FFAA Cn1cc(-c2cc(CN3CCC[C@@H](C(=O)Nc4ccccc4)C3)on2)cn1 184975415 FEDXLXYQNUIQJE-OAHLLOKOSA-N 365.437 2.926 0 50 FFAA CCc1ccccc1C(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299789303 ZQXHERJLXLMFHW-UHFFFAOYSA-N 366.465 2.518 0 50 FFAA O=C(Nc1ccc(F)nc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 299766879 GPIXURPEOMVGAE-GOSISDBHSA-N 354.429 2.928 0 50 FFAA O=C(CN1Cc2ccccc2C1)N1CCC([C@H](O)Cc2ccccc2)CC1 299769290 LOWHLOVYYBTRSS-JOCHJYFZSA-N 364.489 2.844 0 50 FFAA COCC(=O)Nc1cc(C(=O)O)c2c(c1)ncn2CCc1ccccc1 299802192 YVHPEBOGGXLDJC-UHFFFAOYSA-N 353.378 2.562 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(N2CCCC2)cc1 299767358 GGBCJAPWPLHVOP-HXUWFJFHSA-N 357.498 2.660 0 50 FFAA Cc1csc(CNS(=O)(=O)c2cc(-c3ccno3)sc2C)n1 825258249 IFJYERBTYOEPDB-UHFFFAOYSA-N 355.466 2.955 0 50 FFAA O=C(NC[C@H]1CCN(C2CCCC2)C1)N1CCC(Oc2cccnc2)CC1 584896820 DVHOPTPRYIDWLD-QGZVFWFLSA-N 372.513 2.899 0 50 FFAA O=C(CN1CCCCCC1)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952868860 VBFDHGXAUYUBBW-UHFFFAOYSA-N 357.458 2.683 0 50 FFAA O=C(c1cccnc1N1CC[C@@H](N2CCCC2)C1)N1CCc2ccccc21 301394738 DQZLHTUKNAELFF-GOSISDBHSA-N 362.477 2.959 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1SCCc2sccc21 170643286 UFEDBVYFLVMAMD-GFCCVEGCSA-N 352.510 2.610 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1ccsc1 170618911 UFSFVFYLMVYDDM-HNNXBMFYSA-N 361.492 2.820 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCN(c2ccccc2F)CC1 171161886 MDPUDRIXXCXLJY-UHFFFAOYSA-N 366.400 2.761 0 50 FFAA COc1ccc(C(=O)NS(=O)(=O)N2CCc3ccccc32)cc1C1CC1 774069957 KDMWUGHFBZSXAC-UHFFFAOYSA-N 372.446 2.610 0 50 FFAA O=C1O[C@H]2CN(Cc3nccs3)C[C@H]2N1CCCc1ccc(F)cc1 209208602 OIJZGJCXVHHNLT-CVEARBPZSA-N 361.442 2.920 0 50 FFAA COc1cccc(N2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)c1 1704338777 GAYBZFRITGBOOU-XMSQKQJNSA-N 367.493 2.906 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCC2(CC1)OCCc1sccc12 1704306981 ZZCPJRUMPKYKJN-QGZVFWFLSA-N 371.458 2.979 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CNCc3cccc(F)c3)C2=O)c1 11817433 BMIDHZXSQHAFJN-NRFANRHFSA-N 356.441 2.777 0 50 FFAA CC(C)(C)CN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 12305155 FTYIRHBFMPVUNC-IBGZPJMESA-N 372.557 2.920 0 50 FFAA Cc1nccn1CCN(C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 12445783 RFLJSLRUMZYNLJ-UHFFFAOYSA-N 362.437 2.690 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3ccccc3OC(F)F)C2)C1=O 12585743 DRCMNZMQRJKYCW-IBGZPJMESA-N 368.424 2.749 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccccn1 12707042 DELKRFPSGDNGNC-CYBMUJFWSA-N 363.339 2.631 0 50 FFAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 14743330 VKPOQUXOCGXUOK-UHFFFAOYSA-N 366.421 2.760 0 50 FFAA CC1CCN(Cc2nnnn2CCCC(=O)NCCC2=CCCCC2)CC1 15078653 GNSIGXVWPBZOAI-UHFFFAOYSA-N 374.533 2.692 0 50 FFAA CCCN(C)S(=O)(=O)c1cc(C(=O)Nc2nccs2)ccc1C 16622437 LAROIYSSSVSZKZ-UHFFFAOYSA-N 353.469 2.734 0 50 FFAA C[C@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 16650143 AINKXAAINGCIMA-LLVKDONJSA-N 352.419 2.864 0 50 FFAA Fc1cc(F)cc(-c2cn(C[C@@H]3CCCN(Cc4ncc[nH]4)C3)nn2)c1 19837329 QNCSHFYTZGASKW-CYBMUJFWSA-N 358.396 2.859 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 169772890 PGUZOBCCHYEINP-LLVKDONJSA-N 368.368 2.702 0 50 FFAA Cc1oncc1S(=O)(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875247905 UCCXIIAAGCIOFS-CVEARBPZSA-N 350.440 2.770 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 238067458 MNMQYBGYNYNJLA-NSHDSACASA-N 352.228 2.804 0 50 FFAA O=C(CN1CCCN(c2ccccc2Cl)CC1)NCc1cccnc1 241926482 UGOQFKPYTGRERL-UHFFFAOYSA-N 358.873 2.564 0 50 FFAA O=C(CN1CCC(N2CCCCC2=O)CC1)Nc1nc2ccccc2s1 153043219 GDWQBZNNGAZYHO-UHFFFAOYSA-N 372.494 2.712 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C1 262104314 CZNZOATXNFKFSO-SFHVURJKSA-N 374.828 2.735 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCOc2ccc(Br)cc2C1 374704113 NVOGYTSHDZEBLT-UHFFFAOYSA-N 373.210 2.755 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 263700814 SDCJOZHRDZBMIR-HXUWFJFHSA-N 362.433 2.853 0 50 FFAA CCc1nccn1[C@H]1CCCN(C(=O)NCc2cn3ccsc3n2)C1 265569985 OKJWHQBVZQGONQ-AWEZNQCLSA-N 358.471 2.701 0 50 FFAA O=C(Nc1ccc(-n2nccn2)nc1)c1cc(-c2ccccc2F)on1 918148308 BNNCFXCJMQCSCF-UHFFFAOYSA-N 350.313 2.709 0 50 FFAA Cc1ccc2c(c1)[C@H](NC(=O)CCCn1cnc3c(N)ncnc31)[C@@H](C)C2 1875278260 MDZFONOMOKTTRP-SUMWQHHRSA-N 364.453 2.547 0 50 FFAA O=C(N=c1ccn(Cc2cccnc2)[nH]1)Nc1ccc(Cn2ccnc2)cc1 1875264121 UKFRIZXFWAJCQR-UHFFFAOYSA-N 373.420 2.637 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)CC(C)(C)C2)c2cnn(C(C)C)c2n1 1875334241 HBKBFKOIMFHPBA-ZDUSSCGKSA-N 358.442 2.894 0 50 FFAA CCOc1nc(C)ccc1-c1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096951 STAPBEIMFBJIDW-ZFWWWQNUSA-N 355.398 2.813 0 50 FFAA Cn1cc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)c(C2CCCCC2)n1 886096821 GVGDKDOTRSNYDZ-INIZCTEOSA-N 354.458 2.817 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3cccc(F)c3n1)C2 1073260091 RRRKVURPTWFBBA-HIFRSBDPSA-N 370.428 2.592 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 706427 HPDOYDSJYJHZDQ-ZFWWWQNUSA-N 350.802 2.690 0 50 FFAA CCN(Cc1ccccc1)C(=O)CSc1nc2nc(C)cc(C)n2n1 1080170 ISPKWHSRFJOVSZ-UHFFFAOYSA-N 355.467 2.882 0 50 FFAA CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CC=C(c3ccccc3)C2)C1 2325748388 SSNSCWMJNMUYHU-UHFFFAOYSA-N 372.465 2.938 0 50 FFAA CSc1nc(C(F)F)cc(N2CCN(c3ccc(O)nc3)CC2)n1 2325802620 QGEMEKGBLUPTLN-UHFFFAOYSA-N 353.398 2.563 0 50 FFAA Cc1c[nH]c2ncc(C(=O)N3CCN(C4Cc5ccccc5C4)CC3)cc12 2325859067 MRYMZGBTFYDVBF-UHFFFAOYSA-N 360.461 2.797 0 50 FFAA CCn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1 812128 CXYVFMZGRKGLRW-UHFFFAOYSA-N 361.361 2.719 0 50 FFAA CCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc(OC(C)=O)cc2)cc1 944548 RAGDRCQBKHVKPC-UHFFFAOYSA-N 361.419 2.916 0 50 FFAA Cc1cc(C)c(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)c(C)c1 1015822 QQMLTOBYDYBFJL-IBGZPJMESA-N 355.482 2.569 0 50 FFAA Cc1cccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C 2621007 VLDUYGPXLLGFSB-FQEVSTJZSA-N 352.434 2.792 0 50 FFAA CCNC(=O)[C@@H]1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356155783 MPXVTRJJVSZXPO-LLVKDONJSA-N 363.801 2.656 0 50 FFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 4121935 FHIVVPLEYLOECR-OAHLLOKOSA-N 350.440 2.619 0 50 FFAA O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1CCc1ccccc1 6758892 VHFORPFEKISBNE-HXUWFJFHSA-N 361.445 2.670 0 50 FFAA COc1cc(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)cc(OC)c1OC 102219922 JTDOLAANSXMOEN-ATCWAGBWSA-N 350.415 2.601 0 50 FFAA Cc1ncc2c(c1-c1noc(Cn3ccnc3-c3ccccc3)n1)CCNC2 20994901 ISRWXNDPOOEOEU-UHFFFAOYSA-N 372.432 2.998 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)[C@@H]1CCCN1 67559270 PNRPLUSDXQNOTH-INIZCTEOSA-N 365.412 2.646 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)c(C)c1 67630066 GSMQBZWKCVWDTJ-GOSISDBHSA-N 366.527 2.932 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2csc(Cc3ccccc3)n2)[C@H]2CCO[C@H]21 1074650091 YZPNRPIBWAODQH-IDCJVQTKSA-N 358.463 2.514 0 50 FFAA CS(=O)(=O)c1ccsc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 118635342 AXBBOMKUQWPTNL-GFCCVEGCSA-N 350.421 2.608 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C2)c1 72139124 ZUKTTXYWPDRRDA-INIZCTEOSA-N 363.417 2.666 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)c1 77506083 WPJGRDCFWXIFQA-OAHLLOKOSA-N 366.421 2.669 0 50 FFAA CCCCCCOc1cccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c1 4134348 QSZVELVPZWZJFZ-RHSMWYFYSA-N 351.468 2.796 0 50 FFAA Cc1ccccc1CC(=O)N1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 72474205 GBKUOOXVZCXMBS-NRFANRHFSA-N 370.468 2.772 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)cc(N2CCOCC2)n1 72423573 HWMSWOLHSNSVHR-KRWDZBQOSA-N 370.497 2.518 0 50 FFAA CC1(C)CC(=O)c2cnc(NC(=O)CN3CCc4ccccc4C3)nc2C1 35810144 FUBMLONOSZWHSF-UHFFFAOYSA-N 364.449 2.629 0 50 FFAA Cc1ncc(CN2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)s1 151118674 GAZUIPZDXRZNHU-UHFFFAOYSA-N 369.849 2.908 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(C)n2)[C@H](CCO)C1 39542844 RSEWRAZCZAJDQD-OAQYLSRUSA-N 369.509 2.858 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)n1 72446932 BJCOOKJZDIWSHW-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA Cc1nnc(-c2ccccc2C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)o1 124642295 NJGBTKVXHQMJSC-OKILXGFUSA-N 372.469 2.663 0 50 FFAA Cc1c(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)n[nH]c1-c1ccc(Cl)cc1 72147244 JUGOQVQMJYQFHK-SFHVURJKSA-N 374.828 2.705 0 50 FFAA COc1cccc(C2(C(=O)N(C)C3CCN(c4cnccn4)CC3)CC2)c1 367690901 UPSATDIDTPJHKC-UHFFFAOYSA-N 366.465 2.644 0 50 FFAA Cc1cncn1C1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 369248312 DWTBRBRMWPZCSE-LJQANCHMSA-N 355.438 2.837 0 50 FFAA Nc1cc2c(cc1N)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 39160845 LTYUPYUWXRTNFQ-UHFFFAOYSA-N 362.341 2.830 0 50 FFAA in-vitro Cc1cc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)on1 72458584 SXUIIYMYVRHGPW-UHFFFAOYSA-N 356.382 2.515 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38833508 PPIOVTPJAOBRNS-KRWDZBQOSA-N 374.462 2.859 0 50 FFAA COc1cc2c(cc1CNC(=O)c1cc(C(C)C)n3ncnc3n1)CCC2 215486622 MUJHXJISSPAQMJ-UHFFFAOYSA-N 365.437 2.675 0 50 FFAA C[C@@H](Cc1ccccc1)NN1CCN(N[C@@H](C)Cc2ccccc2)CC1 71767066 SWRHIIJIZJJYGU-PMACEKPBSA-N 352.526 2.876 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(c3ccnc(C)n3)C2)cc1OC 72147452 JPIUAYISUNRGND-GOSISDBHSA-N 370.497 2.946 0 50 FFAA O=C(NCCCOC1CCCCC1)N1CCN(Cc2cccnc2)CC1 45133533 MPJHAHYWJOZAJM-UHFFFAOYSA-N 360.502 2.648 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)NC[C@@H]3CN(C)C(=O)CO3)cc2)cc1 221212978 MRUBJANVGVPXMD-HXUWFJFHSA-N 366.461 2.893 0 50 FFAA CS(=O)(=O)c1ccc(N2CCC(Oc3ncccc3F)CC2)c(F)c1 289628420 MDJCVNYPDFUXRN-UHFFFAOYSA-N 368.405 2.811 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC(OCc2cccnc2)CC1 82133422 CFOUHIDPBOFRNK-UHFFFAOYSA-N 360.435 2.736 0 50 FFAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)NCCO)cc2Cl)CC1 95528597 VVPVTAFKWHVAQT-UHFFFAOYSA-N 368.905 2.951 0 50 FFAA COc1cccc(OCCN(C)C(=O)[C@@H]2COc3c(cccc3OC)C2)c1 92081296 GUHMQGCZRSBWKE-INIZCTEOSA-N 371.433 2.792 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCCN2CCOCC2)C1 95385583 KTYVFHSGSUMHBX-SFHVURJKSA-N 362.518 2.502 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCC(c2ccncc2)CC1 92046670 GHDZOKDTSPWICJ-UHFFFAOYSA-N 361.405 2.659 0 50 FFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cnc(-c2cccnc2)nc1 95386210 JYSPAXKMHSGRMF-AWEZNQCLSA-N 359.311 2.967 0 50 FFAA CCCOC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91690194 HCSWJQAKFSELJR-UHFFFAOYSA-N 358.446 2.584 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1 91616421 AYUFYKAAQHPQHU-INIZCTEOSA-N 350.378 2.711 0 50 FFAA O=C(O)Cn1nc(Cc2cccs2)nc1-c1scc2c1OCCO2 97244113 KZPFJSPWSOSYHX-UHFFFAOYSA-N 363.420 2.515 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N3CCC[C@]4(CCOC4)C3)cc2s1 95353551 VVYDEOINLIAFCR-INIZCTEOSA-N 352.481 2.796 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccccc2-c2nnn[nH]2)C1 91364738 CNTMNZBQNKWKNI-LJQANCHMSA-N 369.425 2.530 0 50 FFAA CN1CC2(CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)OC1=O 91254392 SAUDQUIJMNTQQH-UHFFFAOYSA-N 373.236 2.815 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 180173715 QUEZPJONFREUOD-PKOBYXMFSA-N 372.490 2.655 0 50 FFAA O=C(O)c1c(I)cccc1I 95910965 QJASZQLQPXQBAR-UHFFFAOYSA-N 373.915 2.594 0 50 FFAA COc1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 91914591 LCISRKODAKLJGA-CHWSQXEVSA-N 353.413 2.551 0 50 FFAA Cc1nn(C)c2nc(N3CCC(CCC(=O)N4CCCC4)CC3)sc12 96148560 HNVPRTLAZJBYKY-UHFFFAOYSA-N 361.515 2.957 0 50 FFAA O=C1C[C@H](C(=O)NCc2cc(-c3cccnc3)no2)c2cc(F)ccc2N1 92081465 VSRBJBYPXZPIDW-HNNXBMFYSA-N 366.352 2.618 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H](Oc2cccc(F)c2)C1 181916840 YDOCJJYMQMMKFP-SFHVURJKSA-N 352.369 2.700 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 253378519 PSLYZUDHNWBKBF-FCEWJHQRSA-N 356.422 2.649 0 50 FFAA Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@H](C)c3ccc(C)o3)n21 182581312 WPALUNIZOXBOFG-CYBMUJFWSA-N 351.410 2.642 0 50 FFAA C[C@@H](NC(=O)c1cnc2c(F)cccc2c1O)c1nnc2ccccn12 253496401 VBILLDNLNVVJLV-SNVBAGLBSA-N 351.341 2.613 0 50 FFAA CCc1noc(CN(CC)C(=O)NC[C@H]2CCN(c3ccccc3)C2)n1 534667816 PIZSEWIWTGNUBC-OAHLLOKOSA-N 357.458 2.690 0 50 FFAA Cc1nc2c(C)cc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)cn2n1 534576058 CWNCLHXNNNAIEE-GOSISDBHSA-N 350.422 2.922 0 50 FFAA C[C@@H](CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)N1CCCC1 534642971 AQQJEKDKDRMSSK-KRWDZBQOSA-N 368.481 2.983 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1C 299782094 MCYHHVGIKIFNGI-OAHLLOKOSA-N 365.437 2.897 0 50 FFAA CN(C)c1ncc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 828000942 PZVUCRXYXSAOEX-NDDJGDGRSA-N 359.433 2.857 0 50 FFAA COC[C@@H]1CCCN1S(=O)(=O)NCCCc1ccc(C(C)C)cc1 824370965 HNDCGALBQVUBLY-SFHVURJKSA-N 354.516 2.688 0 50 FFAA CN(Cc1ccccc1CN1CCCC1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 827883908 GHAZIRCITHVEOM-IBGZPJMESA-N 371.525 2.888 0 50 FFAA Nc1nc(CCC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cs1 670437115 BBTFAJISSNVLID-GFCCVEGCSA-N 350.513 2.500 0 50 FFAA C[C@@H](CCC(=O)Nc1cccc(NC(=O)CN(C)C)c1)N1CCCCC1 952966865 FOGLEJIWXTWIII-INIZCTEOSA-N 360.502 2.780 0 50 FFAA COc1cc(C(=O)N2CCOC[C@H]2c2cccn2C)cc2c1O[C@@H](C)C2 1447529576 ZGXCGAXQBSRSFP-GUYCJALGSA-N 356.422 2.571 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)c1C 952976273 VLMGNOZQZNYBKE-UHFFFAOYSA-N 369.425 2.930 0 50 FFAA COCCCCCC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565529306 CWVPJZJIVOWCIS-MJGOQNOKSA-N 358.482 2.956 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 1565505817 FPIVKGROYGFDJS-AEFFLSMTSA-N 374.444 2.826 0 50 FFAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2CCC(OCC(C)C)CC2)c1 273703891 OCUVWOGQCQFTAP-UHFFFAOYSA-N 373.446 2.658 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)Cc2ccc(F)cc2F)o1 275543932 ZSVGEVFXHFYDDM-CQSZACIVSA-N 351.353 2.614 0 50 FFAA Cc1nn(C)c2ncc(C(=O)Nc3ccc(C[C@H](C)C(=O)O)cc3)cc12 191424082 NDJZWWRSOYHJPR-NSHDSACASA-N 352.394 2.792 0 50 FFAA CN(CCn1ccc2ccccc21)c1ccc(C(=O)N2CCOCC2)cn1 1529105877 IZCIAYQSAFEINS-UHFFFAOYSA-N 364.449 2.645 0 50 FFAA Cn1nccc1CCC(=O)N1CCCN(C/C=C/c2ccccc2)CC1 1529142695 QCUNJJZFDYOFPB-WEVVVXLNSA-N 352.482 2.600 0 50 FFAA CCc1ccc(CN2CCCN(C(=O)[C@@H](C)N3CCCCC3)CC2)nc1 1775984542 YLXGRHKEDUWTTB-GOSISDBHSA-N 358.530 2.553 0 50 FFAA CN1CC[C@@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1=O 1775976777 CYJZNCOAFRTXFZ-XLIONFOSSA-N 351.450 2.571 0 50 FFAA C[C@H]1CCC[C@H](C)N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 5077397 HGCKUGSVCARJJT-STQMWFEESA-N 358.891 2.750 0 50 FFAA COc1ccc(-n2c(CCNC(=O)c3ccco3)nnc2SC)cc1 11790910 OJEKFMLBYLRVGJ-UHFFFAOYSA-N 358.423 2.563 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)CCC3CCOCC3)no2)cn1 11820880 DOLGBCUFCLFUJO-UHFFFAOYSA-N 359.426 2.846 0 50 FFAA COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(C)n[nH]3)N3CCC[C@@]23C1=O 12317510 UQNVYUGWHUUQPQ-MDKPJZGXSA-N 366.465 2.665 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 14532247 YKRBLGMMYKLNMO-KRWDZBQOSA-N 370.472 2.925 0 50 FFAA CC(C)N1C(=O)N(C)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O 14744085 QSYUVAMAFLVFDB-UHFFFAOYSA-N 354.454 2.805 0 50 FFAA CCc1ccc(-c2ccc(N3CCC[C@@H](C)C3)nn2)cc1S(N)(=O)=O 16651150 NJNQERQXZNVROW-CYBMUJFWSA-N 360.483 2.590 0 50 FFAA O=C(CCc1cccnc1)N1CCC(CO)(Cc2cccc(F)c2)CC1 19743681 QNTWXYKNXZQXHR-UHFFFAOYSA-N 356.441 2.997 0 50 FFAA CCCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C[C@@]23C=C[C@H]1O3 169620112 NBEGDXYKLUBHOD-IIMDRIAPSA-N 371.433 2.715 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2C[C@H]2CN(C)CCO2)n1 1857677442 BVSUXHQOFGIYHK-QGZVFWFLSA-N 369.444 2.822 0 50 FFAA Cc1ncnc(C)c1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857710622 HNWBVHYTLUNIHW-UHFFFAOYSA-N 361.449 2.735 0 50 FFAA Cc1[nH]nc(CN2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1Cl 1857728676 LPLQEBLQUVMOIR-MDZRGWNJSA-N 372.856 2.646 0 50 FFAA CC[C@H](C)C(=O)N1CCC(C2CCN(c3nccnc3OC)CC2)CC1 1857738817 ZQFLOBVFDDQELE-HNNXBMFYSA-N 360.502 2.986 0 50 FFAA O=C(CN1CCCCCCC1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 213261389 SUZFCZWZZBNEQE-RTWAWAEBSA-N 370.541 2.771 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccnc(C(=O)O)c1 238166847 WZEPIEAFIDCNHD-UHFFFAOYSA-N 360.797 2.869 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)cc1 1875373496 CONCMBRQOZRXJF-UHFFFAOYSA-N 371.481 2.650 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1cc(C)nn1C)c1ccc2ccccc2c1 1875370931 JCYYNYBFZIUYOZ-GOSISDBHSA-N 362.433 2.655 0 50 FFAA CCO[C@H]1COCC[C@H]1Cc1nc(-c2ccn(C)n2)nn1CC(C)(C)C 1875349110 MWIGABTUVLXJNI-HOCLYGCPSA-N 361.490 2.709 0 50 FFAA C=CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875370805 DXMQAWJYTWRONU-GWCFXTLKSA-N 357.237 2.525 0 50 FFAA Cc1nc2c(cc1C(=O)N1CCCN[C@H](c3ccccc3)C1)c(C)nn2C 2325783368 SZKSMYRASWEEPL-IBGZPJMESA-N 363.465 2.762 0 50 FFAA CC[C@@H](NC(=O)Cc1cccc(N)n1)[C@H](O)c1ccc(C(F)(F)F)cc1 2325801445 IRNYLYKIPANAJT-RHSMWYFYSA-N 367.371 2.854 0 50 FFAA CO[C@H]1CN2CCC[C@@]2(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1 2325805381 DIXVEDNXPRMRMF-QUCCMNQESA-N 354.454 2.681 0 50 FFAA Cc1cc(C)cc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)c1 948358 HEIULWWBKXYCRU-UHFFFAOYSA-N 353.374 2.522 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1 1013258 JYNFDLBSWDIVNR-MAUKXSAKSA-N 358.463 2.717 0 50 FFAA CCc1ccccc1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 1050342 MSXWUHMUMOARQY-UHFFFAOYSA-N 362.393 2.870 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 1121957 KAWNZPSUAQQJAE-ZDUSSCGKSA-N 360.435 2.682 0 50 FFAA CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2Cl)C1=O 1214360 JHPRLOSLYKIZRC-LJQANCHMSA-N 370.792 2.907 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2nc3cccc(C)n3c2F)C1=O 2356167937 JKPGEDKLNSIPGS-HXUWFJFHSA-N 372.444 2.789 0 50 FFAA COc1cc2c(cc1CN1CCC[C@]13CCCN(C(C)C)C3=O)OCCO2 2356170250 BVFRZFAZNLJVGN-OAQYLSRUSA-N 374.481 2.832 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2nnnc2N1 8739302 NUUSWPDCNTWKAA-MRXNPFEDSA-N 350.382 2.811 0 50 FFAA CCCOC[C@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCC)C3=O)C1 55404737 CAQCYCZIPHJTFL-AWEZNQCLSA-N 358.438 2.581 0 50 FFAA CN1CC[C@@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 225484470 IHJKJAKYOWXSFN-NSHDSACASA-N 353.253 2.861 0 50 FFAA CS(=O)(=O)c1ccc(N(CC2CCC2)CC2CC2)c(S(C)(=O)=O)c1 225463583 YXWKXGFUOYJJFT-UHFFFAOYSA-N 371.524 2.510 0 50 FFAA Cc1cc(N2CCC(c3ccnn3C)CC2)n2nc(C(F)(F)F)nc2n1 225527384 KBIKZFCHWLSQAP-UHFFFAOYSA-N 365.363 2.569 0 50 FFAA CCOC(=O)c1cn(CCNc2nn3cc(C4CCCC4)nc3s2)cn1 225534268 BSTPSXIQLSBQST-UHFFFAOYSA-N 374.470 2.934 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 2806982 LRBBQZYYOODMPI-SECBINFHSA-N 351.255 2.604 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H]1c1ccc(C(=O)NC2CC2)s1 20601277 PANUSVGZSOEKKL-NSHDSACASA-N 362.480 2.778 0 50 FFAA Cc1noc([C@H]2CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)n1 172288035 UACJUQYDQZDUTO-WMLDXEAASA-N 358.417 2.892 0 50 FFAA CCOc1ccc(NC(=O)CSc2nnc(Cn3nccc3C)o2)cc1 2809120 MQALXPFNVVSTGB-UHFFFAOYSA-N 373.438 2.752 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cccnc3OC)CC2)OC1=O 77454001 GBHGMTPVUBVOTR-CQSZACIVSA-N 361.442 2.706 0 50 FFAA COC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@H]2c2ccccn2)c1=O 77516825 GRCMWYPMWMBARU-KRWDZBQOSA-N 369.421 2.588 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@H](C)C1 72411347 HWRWCYZNPZYAJP-LLVKDONJSA-N 368.359 2.788 0 50 FFAA O=C1OC2(CCN([C@@H]3CCSC3)CC2)CN1CCOc1ccccc1 72417886 ISKKADYUJZIVTK-MRXNPFEDSA-N 362.495 2.858 0 50 FFAA O=C1CN([C@@H]2CCSC2)C[C@H](OCC2CC2)CN1Cc1ccccc1 39344794 YJTYWVRKBFOTQU-MOPGFXCFSA-N 360.523 2.632 0 50 FFAA C[C@H](CCn1cccn1)N1CCC(CCC(=O)NCc2cccnc2)CC1 15080535 QBBUGZYDAORZDP-GOSISDBHSA-N 369.513 2.865 0 50 FFAA COCCN1C[C@@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)CC1=O 12589976 DHAZZEKUISSTKV-OAHLLOKOSA-N 358.438 2.583 0 50 FFAA CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cnn2cccnc12 282735456 LNOCFGXAITWMLS-GOSISDBHSA-N 363.465 2.760 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 332868922 NBACYXYFAFWOOM-YHBQJITHSA-N 360.454 2.993 0 50 FFAA Cc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1 219212608 WWKWFPHGSMTOEE-KJXMEXGPSA-N 350.422 2.519 0 50 FFAA C[C@H]1CCCN(CCCNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 239352340 ABVAYUGZHGVCKM-RBUKOAKNSA-N 358.530 2.934 0 50 FFAA C[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccc5c(c4)OCO5)cn1c23 33089127 KOZFFJNTZWVULZ-LBPRGKRZSA-N 362.385 2.777 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 333512732 MHXXOIALXKGTCU-XLAORIBOSA-N 368.481 2.903 0 50 FFAA O=C(CCc1cc2n(n1)CCNC2)Nc1ccc(Nc2ccccc2)nc1 72432328 CXXBJELXKIYSII-UHFFFAOYSA-N 362.437 2.696 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc2c(n(C)c1=O)CCCC2 215059616 QWBFLYVOHQVFPN-UHFFFAOYSA-N 368.462 2.541 0 50 FFAA O=C(Nc1cnn(-c2ncccn2)c1)[C@H]1CCCCN1Cc1ccccc1 175104129 ACFZQNPHNFTPQM-GOSISDBHSA-N 362.437 2.656 0 50 FFAA COc1ccc2cc(CN3CCNC(=O)C3)c(-c3cccs3)nc2c1 72433072 JJSWMZRZICGZOA-UHFFFAOYSA-N 353.447 2.904 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)c1cc([C@H]2CCOC2)nc(N)n1 426550349 CPSOQRSJEWWCPY-ZDUSSCGKSA-N 368.416 2.728 0 50 FFAA COc1nnc(NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)s1 289858935 RMNDUHBPGDACQC-ZDUSSCGKSA-N 360.439 2.762 0 50 FFAA Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(CC(=O)O)n2)sc1-c1ccccc1 426622897 GCWPSMMPYTUHBJ-NSHDSACASA-N 370.434 2.960 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1noc([C@@H]2CCCO2)n1 220201155 WJSUCHDZMNZWQF-HNNXBMFYSA-N 368.393 2.743 0 50 FFAA O=C(NC[C@@]1(O)CCc2ccccc21)Nc1cccnc1N1CCCC1 179260136 UHTDMZYWEXXTAI-FQEVSTJZSA-N 352.438 2.637 0 50 FFAA CCc1nc2ccc(NC(=O)N[C@@H]3CCCN(c4cnccn4)C3)cc2[nH]1 426596457 IBOLKBDSBDKQDL-CQSZACIVSA-N 365.441 2.706 0 50 FFAA CC(=O)N[C@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)C[C@@H]1C1CC1 91289161 VDKJIWAXLSRDAZ-UXHICEINSA-N 359.489 2.949 0 50 FFAA CSCCCN1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 97522131 KEKJKXZQKHFLGU-IBGZPJMESA-N 363.571 2.731 0 50 FFAA COc1cc(C)c([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c(C)c1 95384495 DDRHVZZWYQPPMD-HXUWFJFHSA-N 369.465 2.651 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)C[C@H]2C(=O)O)c1 91574382 XYLOPKHRTRSQPF-JKSUJKDBSA-N 365.389 2.512 0 50 FFAA CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1C=CS(=O)(=O)C1 96150610 YCXVCFKTNCCMFR-JTQLQIEISA-N 364.345 2.536 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(c2ccncc2)CC1 91964508 OGEGWHWCTLUCBV-UHFFFAOYSA-N 360.421 2.578 0 50 FFAA CC[C@H](C)Oc1cc(CNC(=O)c2cccc3c2oc(=O)n3C)ccn1 180845485 RZOGYTGLUOWUTL-LBPRGKRZSA-N 355.394 2.634 0 50 FFAA CN(C)Cc1nnc(C2CCN(Cc3nc4c(s3)CCCC4)CC2)n1C 96150828 QXHMRXQMKZQZHB-UHFFFAOYSA-N 374.558 2.592 0 50 FFAA CC(C)CN1CC2(CCN(C(=O)c3nc4ccccn4c3F)CC2)CC1=O 92045852 KKTYXUWJUYSMTA-UHFFFAOYSA-N 372.444 2.584 0 50 FFAA CCc1c(C)nn(CCNC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1C 91574106 VFJYNQUGBRSPNI-UHFFFAOYSA-N 367.453 2.891 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cnc(-c3cccs3)nc2O)c1C 91986657 ZYDQCXMBTUOPCP-UHFFFAOYSA-N 371.466 2.716 0 50 FFAA Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(C)nc4c3c(=O)[nH]n4C)C2)c1 181951529 FGHHKCOBVKTOFH-OAHLLOKOSA-N 364.449 2.817 0 50 FFAA C[C@@H](CCC(=O)NCc1cc(-c2ccc(F)cc2)no1)N1CCOCC1 252489413 JQORJBNVJUJMNX-AWEZNQCLSA-N 361.417 2.598 0 50 FFAA O=C(O)[C@]1(c2ccccc2)CCN(Cc2cnc(N3CCCCC3)nc2)C1 252489535 JSVKMZAHBHVJBR-OAQYLSRUSA-N 366.465 2.695 0 50 FFAA C[C@H](N)[C@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739520 PQCODHDNXMLPQY-RYUDHWBXSA-N 373.266 2.943 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H](n2cncn2)C1 183836835 LWJFHWGRBGIRHG-CZUORRHYSA-N 359.405 2.678 0 50 FFAA C[C@@H](CCC(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCCC1 299759275 FCXAULOXPOCVAS-INIZCTEOSA-N 365.468 2.874 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCC3(CC2)CNc2ccccc23)c1C 299794589 KZWZOQTYGVSBBF-UHFFFAOYSA-N 366.465 2.688 0 50 FFAA CC(C)Cc1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nc(N)n1 821471677 TVIIZDRXYWSOKY-UHFFFAOYSA-N 359.518 2.786 0 50 FFAA CCN(CC)C(=O)c1sc2ncn(Cc3cnn(CC)c3)c(=O)c2c1C 584892957 ICUHECZVNOLXIC-UHFFFAOYSA-N 373.482 2.513 0 50 FFAA CCc1nn(C)c(Cl)c1CN[C@@H]1CCCN(C(=O)c2ccco2)C1 952970295 LYLWLOKQHINLNS-GFCCVEGCSA-N 350.850 2.623 0 50 FFAA COc1cccc(F)c1C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952974303 TYPMJUIPWZODOQ-GOSISDBHSA-N 352.369 2.740 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(F)cc2)CCO1 269034189 NRTNRTNJNLCWRF-MRXNPFEDSA-N 373.380 2.720 0 50 FFAA Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(Br)s1 275158116 ZSRGEZFDKXVIQF-UHFFFAOYSA-N 369.288 2.963 0 50 FFAA CN1CCC(C)(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 272520561 HUXWPJGHJPDMAI-HNNXBMFYSA-N 363.527 2.591 0 50 FFAA Cc1ccccc1CN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529126719 OGDIDNBAKLRWSJ-RTWAWAEBSA-N 366.461 2.860 0 50 FFAA Cc1cc(O)ccc1C(=O)N1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704341057 PCDYJYJBPOHJEV-OAQYLSRUSA-N 366.465 2.677 0 50 FFAA COC(=O)c1cc(Br)c(C(=O)OC)cc1Br 625678 QXAFZEQRMJNPLY-UHFFFAOYSA-N 351.978 2.785 0 50 FFAA in-vitro COc1cccc2ccc(CN3C[C@H](O)[C@H](Cc4cc(C)no4)C3)nc12 1704356831 LRURWEQJBFKGQL-QAPCUYQASA-N 353.422 2.575 0 50 FFAA O=C(O)[C@H]1COCCN(Cc2ccc(OCCc3ccccc3)cc2)C1 1772808886 DKTAMXYZFQMILU-LJQANCHMSA-N 355.434 2.841 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCCN(c2cncc(C)n2)CC1 1772810711 OTISXRSUGIQMHR-UHFFFAOYSA-N 360.845 2.800 0 50 FFAA O=C(O)Cn1nnc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 5050503 XQPLRGNZCMBGGQ-UHFFFAOYSA-N 362.748 2.796 0 50 FFAA CSCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 11818394 HODVWMYUQWSZBA-AWEZNQCLSA-N 352.475 2.824 0 50 FFAA CCc1nnc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)s1 12390284 KTQMMJRRQFZCPK-UHFFFAOYSA-N 358.423 2.696 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 12435403 MEDYSINSXQMUKR-MNDMWVCDSA-N 364.401 2.945 0 50 FFAA CC[C@@H](O)C1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 12709675 BQEDNZIZNUDLIO-MBNRZODZSA-N 354.454 2.615 0 50 FFAA CCCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 12865296 VDRZYGPFAMHUEX-UHFFFAOYSA-N 372.490 2.833 0 50 FFAA Cc1ccc(-n2c(C3CCN(C(=O)c4ccccc4)CC3)n[nH]c2=O)cc1 169779810 QIUALEDBAQMLAI-UHFFFAOYSA-N 362.433 2.889 0 50 FFAA c1ccc(-c2nc([C@H]3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1 1857731898 SNKCQCBKHWYKNI-INIZCTEOSA-N 359.437 2.837 0 50 FFAA CCOc1ccc(C(=O)N(Cc2cncnc2)[C@@H]2CCCNCC2)cc1 328628898 HSXGAFNEAGKBRE-GOSISDBHSA-N 354.454 2.660 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cn1 490909699 ISBKZTZZPMFIFS-LLVKDONJSA-N 353.348 2.557 0 50 FFAA Cc1nc(C)n([C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)n1 377339441 JWTSYKUVIQDJCN-INIZCTEOSA-N 368.890 2.715 0 50 FFAA O=C1CC2(CCC2)[C@H](C(=O)Nc2cccc([C@H](O)CC(F)(F)F)c2)CN1 1875285874 DOHSTRSCJHVTAN-UONOGXRCSA-N 370.371 2.917 0 50 FFAA O=C(c1cccn1Cc1ccncc1)N1CCC2(CC1)COc1ncccc12 1875299847 YCAIAPFVBYKJEY-UHFFFAOYSA-N 374.444 2.893 0 50 FFAA CCc1ccc([C@H]2CN(C(=O)Cc3ccc4nn[nH]c4c3)CCO2)cc1 1875349712 JQHDFJMWALHJCY-LJQANCHMSA-N 350.422 2.663 0 50 FFAA C[C@@H](NC(=O)c1conc1C(F)(F)F)C1CN(C(=O)C2(C)CCCC2)C1 1875303190 AJUSRPJJEYGLGV-SNVBAGLBSA-N 373.375 2.850 0 50 FFAA Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@H](C)c2ccc3ccn(C)c3c2)C1 1875308512 JQIIQYAGSPJIHQ-CWTRNNRKSA-N 365.437 2.591 0 50 FFAA O=C(N1C[C@]2(F)CCC[C@]2(CO)C1)[C@]1(Cc2ccc(F)cc2)CCCO1 1875404335 FQMZKXXKZQBZPC-VAMGGRTRSA-N 365.420 2.631 0 50 FFAA c1cc(NC[C@H]2COC3(CCOCC3)O2)nc(-n2cnc3ccccc32)c1 893101219 KYSWFCIQFBXPIX-HNNXBMFYSA-N 366.421 2.755 0 50 FFAA O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc(O)ccc2o1 54147529 CRTJBQWFYXDSBI-UHFFFAOYSA-N 354.381 2.960 0 50 FFAA biogenic CCc1cnc(NC(=O)[C@H]2CCc3ncc(Br)n3C2)s1 2325792548 QDVZFIYEUMPOQI-QMMMGPOBSA-N 355.261 2.866 0 50 FFAA CCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C 626299 PHVUFPFACYYGLS-UHFFFAOYSA-N 364.858 2.779 0 50 FFAA CCOc1cc(C(=O)N[C@@H]2CCSC2=O)cc(OCC)c1OCC 869734 VZQVTEWWISIBJV-GFCCVEGCSA-N 353.440 2.645 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(c3nc4c(cc3C(=O)O)CCC4)C1)CC2 2356148581 GYUKITKXVNTXOW-OAQYLSRUSA-N 364.449 2.851 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1 2884285 CDKUTQSSNOLCBJ-OAHLLOKOSA-N 352.500 2.989 0 50 FFAA Cc1cc(C)n(-c2ccccc2CN(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)n1 2356165960 ROIKMJYLYTVJQU-OTWHNJEPSA-N 352.482 2.836 0 50 FFAA CCOC(=O)CSc1nc2c(c(SCC(=O)OCC)n1)CCCC2 4529651 CQDVNANCQHERNI-UHFFFAOYSA-N 370.496 2.666 0 50 FFAA COc1cccc(OC)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 4592775 JJJTUZPGUNZOPU-UHFFFAOYSA-N 367.405 2.754 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1 59749584 FQHGMOKHUQIUEO-UHFFFAOYSA-N 360.458 2.757 0 50 FFAA COc1ccccc1/C=C/CN1CCC(n2cc(CN(C)C)nn2)CC1 55393330 OWWFNSWGFMSUKV-SOFGYWHQSA-N 355.486 2.699 0 50 FFAA CCN(CC)c1ccc(C(=O)N2CCC(Cc3nncn3C)CC2)cc1 55198702 DQFBTNMWDRCIOS-UHFFFAOYSA-N 355.486 2.756 0 50 FFAA O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)Nc1nccs1 20437266 VQYAVTAEUGMEPO-UHFFFAOYSA-N 350.875 2.553 0 50 FFAA Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(-n2ccnc2C)n1 67601874 IVOKIZWOFXWMCX-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)cc1C 65364931 CMMBTJADNHKMNQ-KRWDZBQOSA-N 352.500 2.542 0 50 FFAA Cc1cc(C)c(C(=O)NCc2cccnc2N2CCN(C)CC2)c(C)c1 67540167 YJXVAKVLJSVPDK-UHFFFAOYSA-N 352.482 2.689 0 50 FFAA C[C@@H](NCC(=O)Nc1nc(C(C)(C)C)cs1)c1cn2ncsc2n1 65396217 SXRFRRWKXSPBKR-SECBINFHSA-N 364.500 2.834 0 50 FFAA COC[C@@H]1[C@H](NC(=O)c2cc(C)nc3cc(C)cc(C)c23)[C@H]2CCO[C@@H]12 1074611681 QZDUSLIVPPYMPZ-BGRCLHOASA-N 354.450 2.940 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ncnc2c1CCCCC2 330054741 SNDTWZLLMXRHSW-GJZGRUSLSA-N 356.449 2.589 0 50 FFAA O=C(CCN1CCCCO1)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 67967627 VKDDOIPPDMORAW-LJQANCHMSA-N 366.465 2.877 0 50 FFAA CC1CCN(C[C@H](O)CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 252673317 QZDZTCUOUZEBOU-SQNIBIBYSA-N 350.890 2.653 0 50 FFAA COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1c(C)nc2ccccc21 1430439 JVRURENWWJUXCI-INIZCTEOSA-N 354.406 2.996 0 50 FFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1c(-c2ccccc2)nc2ccccn12 120568597 OUGASHJEYYBWIE-AWEZNQCLSA-N 369.446 2.765 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H](c2ncc[nH]2)C1 77436863 YUQSSMWZROKMKF-ZDUSSCGKSA-N 369.400 2.938 0 50 FFAA C[C@H](CCN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 253397106 LYLDZAPWPXMUQN-SNVBAGLBSA-N 356.348 2.825 0 50 FFAA C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)C[C@H](c2ccsc2)O1 281500898 JNBAUZUAZBTRPB-QNXDBWELSA-N 356.513 2.521 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)no1 72132084 NJLBIKZELBYDBL-INIZCTEOSA-N 373.428 2.586 0 50 FFAA NC(=O)c1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 172195627 MCUJPHQHVWRUIZ-GOSISDBHSA-N 352.438 2.572 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)C[C@H](O)c1ccccc1)CC2 361997355 ODYGPBJXWZQRCV-SFHVURJKSA-N 355.434 2.755 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(Nc3ncccn3)CC2)c1 72447794 ADJJFYNCQAEEII-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA C[C@@H]1COc2ccccc2CN1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363686606 GNLIQZDXCPEPSF-RHSMWYFYSA-N 356.426 2.877 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)NCC1(CF)CCOCC1 331630213 SJNJSKOYOSFRFC-NUJGCVRESA-N 356.482 2.868 0 50 FFAA C[C@](O)(CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccsc1 126154458 VEAPGPWHOCSHOG-SFHVURJKSA-N 374.441 2.780 0 50 FFAA CN(C(=O)c1ccc2[nH]nnc2c1)[C@@H]1CCCN(Cc2ccccc2F)C1 72145393 LDMYJOLZCBHIRQ-MRXNPFEDSA-N 367.428 2.834 0 50 FFAA O=C(CSc1ccncc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72167631 KVBVHGVSGRRPEU-SFHVURJKSA-N 354.475 2.651 0 50 FFAA COCCn1cnnc1CN(C)Cc1cnc(-c2ccccc2C)s1 216070975 KGPIQEMDHJQPJL-UHFFFAOYSA-N 357.483 2.988 0 50 FFAA O=C(NC1CCCC1)N1CCn2nc(CN3C[C@H]4CC=CC[C@H]4C3)cc2C1 72171220 APQWRXNSVSCDGD-CALCHBBNSA-N 369.513 2.749 0 50 FFAA COc1cc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)N)C2)cc(Cl)c1OC 237165146 DTBYYFVPZZQLJT-WDYNUWJLSA-N 352.862 2.956 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cn(C2CCCCC2)nn1)C1CC1 14974000 KTMPUIGQLWGPRH-UHFFFAOYSA-N 356.474 2.938 0 50 FFAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccoc2C2(O)CCOCC2)C12CCC2 375093215 IVKWGLUXBXXADZ-HOTGVXAUSA-N 363.454 2.697 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)CCn3ccnc3C)C2)CCC1=O 77354125 CRSUTDJBFRJMFV-HXUWFJFHSA-N 360.502 2.613 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)O)cc2)n1 237696598 JPPIOWPCDLDHMK-INIZCTEOSA-N 356.426 2.744 0 50 FFAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CC[C@H](CO)[C@@H](O)C1 72153189 VSHYQMNLBKNALK-IERDGZPVSA-N 362.429 2.717 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 237923780 FZGRPNQENUMDAS-CVEARBPZSA-N 358.438 2.824 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1 72153891 ULXSQRSPOLBUTI-HXUWFJFHSA-N 362.473 2.730 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cnn4ccccc34)C2)CCC1=O 77320503 KGLFZMKUIDABDQ-NRFANRHFSA-N 368.481 2.979 0 50 FFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)CN(C)Cc3cccnc3)n2)c1 222713950 SKMCHAKMUHBRPD-OAHLLOKOSA-N 365.437 2.749 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(Cc2cccnc2)CC1 220191080 OMNGAZHXXBHXMU-MRXNPFEDSA-N 355.486 2.743 0 50 FFAA COC(=O)c1ccccc1-c1cccc(C(=O)NCC2CCNCC2)c1 426684393 JPVQKTVXKQFWSO-UHFFFAOYSA-N 352.434 2.870 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)N1CCC(N2CCCC2)CC1 426399215 LIXBWFPIGAPTRF-FQEVSTJZSA-N 367.497 2.894 0 50 FFAA O=C1CN(Cc2ccccc2OCCO)CCN1c1ccccc1Cl 82083716 IZGWCYHLLMLAPJ-UHFFFAOYSA-N 360.841 2.560 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccccc1N1CCCC1)C2 223511967 BBFSCJVUGZTELK-OAHLLOKOSA-N 354.454 2.583 0 50 FFAA COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1F 82109169 GYQDJARBRFIBPX-UHFFFAOYSA-N 374.460 2.823 0 50 FFAA c1ccc(-c2nc3c(c(N4CCC[C@@H](C5OCCO5)C4)n2)CCC3)nc1 265363329 XTNUFEAQMQDCMT-CQSZACIVSA-N 352.438 2.617 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)N1CCN(C)CC1 92045810 ASHUBAVRWZWWMS-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA O=C(NCCc1ccccc1F)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 92022175 LIAHEBOPCNWHTH-UHFFFAOYSA-N 373.472 2.945 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)NCc1nc2ccccc2n1C)C1CC1 426472723 KJGUOUQEQVEVAK-UHFFFAOYSA-N 366.469 2.798 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)[C@@H]2COc3ccccc3C2)c1C 91270080 FQBBTRGRVXBYFS-SFHVURJKSA-N 371.481 2.746 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)c2cc(F)ccc2N1 91325539 HNPVGOUWRBEVLX-QGZVFWFLSA-N 368.408 2.762 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)COc1ccc(C(C)=O)cc1)C2 91713190 LXUNEHLROCGYNN-HNNXBMFYSA-N 369.417 2.644 0 50 FFAA CCc1nnc([C@@H]2CN(Cc3cc(O)cc(C(F)(F)F)c3)CCO2)o1 291539706 LDVOFJDZYIRENV-ZDUSSCGKSA-N 357.332 2.930 0 50 FFAA OCc1csc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 91468301 MRZROHAEJIZWAZ-HNNXBMFYSA-N 355.467 2.659 0 50 FFAA CNC[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 178984118 IQCLAKQSPMRFIU-SNVBAGLBSA-N 364.799 2.624 0 50 FFAA COc1cc(F)ccc1[C@@H](C(=O)O)N1CCC(O)(c2ccccc2)CC1 95391893 KMMJVHYPLCJFBB-SFHVURJKSA-N 359.397 2.944 0 50 FFAA CN(CC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1)Cc1ccc(F)cc1 91637125 CFOYXAHIVOGGQR-HXUWFJFHSA-N 370.468 2.841 0 50 FFAA COC(=O)c1ccc(NC(=O)NC2CCN(Cc3cccnc3)CC2)cc1 96164557 WRJXQPYDDBLBQB-UHFFFAOYSA-N 368.437 2.654 0 50 FFAA Cc1cnc2c(Cl)c(-c3ncnn3Cc3ccc4c(c3)OCO4)nn2c1 97776071 NEGFBYJWUDTHNG-UHFFFAOYSA-N 368.784 2.727 0 50 FFAA CSCc1noc(CN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)n1 91645020 VBKHYYZYVRCSRY-GOSISDBHSA-N 364.515 2.547 0 50 FFAA Cn1c(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)nc2ccccc21 91707105 PQKKVNUUJJTLSU-UHFFFAOYSA-N 368.481 2.618 0 50 FFAA Cc1ccccc1NC(=O)N1CCn2nc(CNC(=O)C3CCC3)cc2C1 534656073 KDTPSQLUQUHHFY-UHFFFAOYSA-N 367.453 2.656 0 50 FFAA Cc1ncnc(N2CCN(C(=O)CCCOc3ccccc3)CC2)c1C 299768825 ZLCXTQRQMAXRCE-UHFFFAOYSA-N 354.454 2.601 0 50 FFAA COc1cccc(OC2CN(C(=O)NCCCN3CCC(C)CC3)C2)c1 584885411 LCIMOZIHMJTOBO-UHFFFAOYSA-N 361.486 2.590 0 50 FFAA O=C(NCc1cccnc1)c1nn(-c2ccccc2)cc1Br 1440489063 FMTFNVFNVUWYGZ-UHFFFAOYSA-N 357.211 2.960 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1 1565527843 LKMGXEIWEWPALG-FZKCQIBNSA-N 354.372 2.687 0 50 FFAA CC(C)c1nc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cs1 1565530318 NJKUCBZHWNUTPW-HOCLYGCPSA-N 361.467 2.766 0 50 FFAA COc1ncc(Cl)c(N[C@H]2CCCN(c3ccccc3F)C2=O)n1 301874845 RLHPGCJIXSCQES-LBPRGKRZSA-N 350.781 2.885 0 50 FFAA CC(C)(C)OC(=O)[C@](C)(O)CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 222323959 BJOOBJUJSMSNNV-VQQMMKBISA-N 374.525 2.579 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)NC[C@H](C)N2CCCCC2=O)c1C 190302508 VWMGOPUVGMTUHC-HNNXBMFYSA-N 354.454 2.620 0 50 FFAA Cc1ccc([C@H](CNc2ncnc3onc(C)c23)N2CCOCC2)cc1 195510116 XAOABWSVNIISNQ-INIZCTEOSA-N 353.426 2.720 0 50 FFAA CCOc1ccccc1-c1nnc(NC(=O)[C@H]2CC(=O)OC23CCCC3)o1 1506396569 KAJWJXQLCXRCSN-CYBMUJFWSA-N 371.393 2.950 0 50 FFAA Cc1cc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2cc(F)ccc2n1 1529168978 PDCGFAVEWIWSTE-OXQOHEQNSA-N 369.440 2.618 0 50 FFAA CCc1ccc(CN2C[C@H](C(=O)Nc3c(C)cnn3CC)CC2=O)cc1 1529172000 CEDBDUZAIWTICQ-QGZVFWFLSA-N 354.454 2.761 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1ccc(OC(C)C)c(CO)c1 1704310084 OGRAOAWJYOOSRR-UHFFFAOYSA-N 360.502 2.561 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2c(Cl)c(C)nn2C)C[C@@H]1C(=O)O 212924519 DVWZJCZNWOUADO-KGLIPLIRSA-N 361.829 2.631 0 50 FFAA COc1cc(Cl)cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1OC 1704297887 YAGTWWDBMKYAMA-IEBWSBKVSA-N 368.905 2.636 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 5041234 SQNVBHQZGNPWIE-VQISRLSMSA-N 362.813 2.540 0 50 FFAA CCn1nc(C)c(CN[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1C 12072481 LBPQDOAGDKTQQM-SFHVURJKSA-N 358.461 2.592 0 50 FFAA COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCCCC1 12382209 JQWBHIMUXRTTAK-UHFFFAOYSA-N 368.499 2.646 0 50 FFAA CC(C)CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13679921 ARTVXFHQFXJPFQ-UHFFFAOYSA-N 352.481 2.959 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CCCN(C3CCN(C(C)C)CC3)C2)cc1 14949077 ZAFMKCXVCCQWGF-IBGZPJMESA-N 373.541 2.896 0 50 FFAA O=C(NCCN1CCOCC1)c1cc(-c2ccc(Cl)cc2Cl)on1 19293022 YXJWGDHZFNNSLV-UHFFFAOYSA-N 370.236 2.710 0 50 FFAA CCCC(=O)C1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 19836281 VOCRQXAWCPMWCA-RTWAWAEBSA-N 356.510 2.805 0 50 FFAA COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(F)cc1 19872204 YSRDGXLCASBVLJ-UHFFFAOYSA-N 374.456 2.835 0 50 FFAA CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N[C@@H]1CCc2ccccc21 169765553 VEEZRYUYHZXXRY-GOSISDBHSA-N 361.445 2.858 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cc(OC)c(C)cc1C 1857668358 WMPIYYZHEAEMMV-QGTPRVQTSA-N 353.484 2.626 0 50 FFAA c1ccc(CN2CCN(CCn3ccnc3-c3cnsc3)CC2)cc1 1857685077 BSKLEVWUXKBQHY-UHFFFAOYSA-N 353.495 2.824 0 50 FFAA O=C(Nc1cccc(OCC(=O)N2CCOCC2)c1)c1cccc(Cl)c1 4869875 KTRRYCCLAJPWIT-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333995781 NKTATHUWIFGUSV-ROUUACIJSA-N 373.518 2.998 0 50 FFAA O=C(c1cc2nccnc2cc1F)N1CCC(OC[C@@H]2CCCO2)CC1 366341610 MCEMFAAKEIPRDO-AWEZNQCLSA-N 359.401 2.569 0 50 FFAA O=C(NCc1ccc(COC2CCOCC2)cc1)[C@H]1CCCc2[nH]ncc21 161563094 ZRHCUDBRYKDPBB-SFHVURJKSA-N 369.465 2.842 0 50 FFAA CN1C[C@H]2CN(c3ncnc4c3cnn4Cc3cccc(Cl)c3)C[C@H]2C1 1875287232 ZPEOOMXCEKFBSK-GASCZTMLSA-N 368.872 2.526 0 50 FFAA Cn1c(C2CC2)nc2cc(NC(=O)[C@@H](N)Cc3ccc(O)c(F)c3)ccc21 1875307886 VOVLHIHPKBUQEZ-HNNXBMFYSA-N 368.412 2.804 0 50 FFAA CCn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3ccc(F)cc3C)CC1)O2 1875394403 HXJFXKKPMIOPAZ-INIZCTEOSA-N 373.428 2.841 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccn(-c2ccc(F)c(F)c2)n1 1875333321 OERKMRRLSNGWFZ-MRXNPFEDSA-N 357.316 2.706 0 50 FFAA Cc1c(Cl)ncnc1N[C@H]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 1875408020 MPAGKYQRCTVKEX-PHIMTYICSA-N 356.817 2.688 0 50 FFAA COC(=O)c1scc(C)c1NC(=O)[C@H]1CC(=O)N(C)c2ccccc21 364234639 LOPJMEMSKUGLAS-LBPRGKRZSA-N 358.419 2.932 0 50 FFAA O=C(c1cccc(O)c1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2100540062 BNJHDXNJAXEFJG-OAQYLSRUSA-N 365.433 2.585 0 50 FFAA CCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1228545 QHOYTHLPKFOUHL-UHFFFAOYSA-N 371.462 2.848 0 50 FFAA NCC12CCC(C(=O)N3Cc4ccccc4[C@H](C(F)(F)F)C3)(CC1)CO2 2325778646 IDBQSCKWAQVOGF-FAEJEUNOSA-N 368.399 2.963 0 50 FFAA O=C(C[C@@H]1Cc2ccccc2CN1)NCc1ncc(-c2cccs2)[nH]1 2325795445 GEAJBYSEYOBNTK-HNNXBMFYSA-N 352.463 2.859 0 50 FFAA O=C(O)[C@H]1CN(C(=O)Cc2c(Cl)cccc2Br)CC12CC2 2325841086 CFWJWEAGYCGRCI-SNVBAGLBSA-N 372.646 2.968 0 50 FFAA O=C(Cc1cc2ccccc2c(O)n1)N[C@@H]1CCc2sccc2C1=O 2325850520 AGOWUAPZXYYWEJ-OAHLLOKOSA-N 352.415 2.858 0 50 FFAA COc1ccc(C)c(NC(=O)CSc2nnnn2-c2ccccc2)c1 948391 CXQGNJFPDIVSQU-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 1125329 BVXKYOGRAWWCIP-UHFFFAOYSA-N 364.854 2.550 0 50 FFAA COc1cc(C(=O)NCc2ccco2)c(Br)c(OC)c1OC 1155243 GJRWIUDRPZPDCC-UHFFFAOYSA-N 370.199 2.998 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc3cc(C)ccc3nc2C)C[C@@H]1O 2356138140 FPXNXLSOORCDPJ-RXVVDRJESA-N 370.449 2.930 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)C1=O 2356168018 MHXZHBLSTWALLS-FQEVSTJZSA-N 373.428 2.551 0 50 FFAA O=C(Nc1sccc1C(=O)N1CCCCC1)[C@H]1CC=CC[C@H]1C(=O)O 6741069 JCPCOLWZLFRBDB-QWHCGFSZSA-N 362.451 2.980 0 50 FFAA COc1cc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1Cl 6746484 VVIMMDMBAMUARJ-JTQLQIEISA-N 354.834 2.943 0 50 FFAA O=C(CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)NCc1cccnc1 225501743 BMQOCLAAMPOLNG-OAHLLOKOSA-N 368.412 2.858 0 50 FFAA Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccncc2)no1 225844902 HHPVZCUJBBMLBA-OAHLLOKOSA-N 359.430 2.567 0 50 FFAA CC(C)Cn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21 102211045 OEDLPPSDGRXCGN-UHFFFAOYSA-N 351.406 2.688 0 50 FFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)c1c[nH]c(=O)c(Cl)c1 55575406 YYQHDKLJQXTSTI-UHFFFAOYSA-N 360.776 2.830 0 50 FFAA Cc1ccc(NC(=O)CC(=O)NCC[C@H]2COc3ccccc3O2)cc1 55281260 JCXFYCSKSLGCNA-INIZCTEOSA-N 354.406 2.670 0 50 FFAA O=C(O)c1cn([C@@H](CO)c2ccccc2)cc(Oc2ccccc2)c1=O 55308961 ZWTFXDJOUZPZTJ-KRWDZBQOSA-N 351.358 2.921 0 50 FFAA CN(c1ccc(Cl)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1)S(C)(=O)=O 106683658 CIKNLGLULJLUTD-ZIBATOQPSA-N 356.875 2.654 0 50 FFAA COc1ccc(CNC[C@H](C)NCc2ccc(OC)c(OC)c2)cc1OC 20034831 ANGZRUFMMINUAK-HNNXBMFYSA-N 374.481 2.989 0 50 FFAA biogenic COc1ccccc1-n1cc(-c2nc(CC3CCN(C)CC3)no2)cn1 67739603 NPAMXODLUKYTNZ-UHFFFAOYSA-N 353.426 2.815 0 50 FFAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)cc1F 65363025 WCWCJQMOVRLCBE-UHFFFAOYSA-N 369.374 2.699 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1C 20999261 OQISGCJJANWZFL-FQEVSTJZSA-N 374.504 2.728 0 50 FFAA CCC(CC)(CN)NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 422835264 YKONZYZDJNLLBP-UHFFFAOYSA-N 362.424 2.887 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N(CCO)C(C)C)no1 67934970 QJDDFESJINXSKY-UHFFFAOYSA-N 350.440 2.818 0 50 FFAA CCCNC(=O)C1CCN(C(=O)N[C@H](C)c2csc(CC)n2)CC1 171857513 YYEQZJZOQIXQJL-GFCCVEGCSA-N 352.504 2.714 0 50 FFAA CNC(=O)CCCN(C)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 119976472 BZWOJVSJUWLETO-UHFFFAOYSA-N 360.845 2.704 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N[C@H]2CCN(c3ccccn3)C2)n1 120946460 BUBBSZLCSNYBHR-INIZCTEOSA-N 362.437 2.976 0 50 FFAA CCOCCc1nnc(NC(=O)N[C@@H](C)c2cn3ccsc3n2)s1 32590258 IMWSMTYXNIAZTN-VIFPVBQESA-N 366.472 2.709 0 50 FFAA Cn1cc([C@@]2(C)CN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCO2)cn1 281812950 OAMWZSHRFGOXQW-XFQXTVEOSA-N 372.444 2.762 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2O)cc1 363207388 CNLMDSIRNDOGIS-SFHVURJKSA-N 368.433 2.963 0 50 FFAA COc1ccccc1CCCN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328628273 HCTPMTRIRMARKT-MRXNPFEDSA-N 370.453 2.740 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)c2n[nH]c3c2CCC3)s1 215122232 WCAHFSGPYVYTKT-UHFFFAOYSA-N 354.435 2.961 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@H]1CCC(F)(F)C1 331073774 FYLDFANWJXQXLA-LBPRGKRZSA-N 374.453 2.815 0 50 FFAA CNc1nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)cs1 77520357 QFDSYGWMMQJQMK-GFCCVEGCSA-N 356.411 2.607 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 77378714 KQKXDMHLUMGMPE-HNNXBMFYSA-N 373.420 2.534 0 50 FFAA CN[C@@H](C)Cc1noc(-c2ccc(OCc3cscn3)c(OC)c2)n1 261870221 VFKZTDAYMKTOMT-NSHDSACASA-N 360.439 2.931 0 50 FFAA CN1CCN(C(=O)c2ccccc2N2CCCCC2)C[C@H]1c1ncc[nH]1 372574325 UHOXWNXNHYNOGY-SFHVURJKSA-N 353.470 2.529 0 50 FFAA O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1cccc(Cl)c1 71754349 MNRCEKHBEHXSED-CYBMUJFWSA-N 350.768 2.609 0 50 FFAA C[C@@H](C1CCN(C(=O)Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 72469283 FBCBVPIEGPMRRR-AWEZNQCLSA-N 368.880 2.981 0 50 FFAA COc1ccccc1-c1nn(C)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237327309 SEWIWGHRLKVLEW-CQSZACIVSA-N 371.437 2.813 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3sccc3Cl)CC2)c1 72427102 ZSHHBNPVFICIFI-UHFFFAOYSA-N 353.831 2.623 0 50 FFAA Cc1cc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)[nH]n1 71576207 FRVIANLRQLLJSR-SFHVURJKSA-N 372.444 2.757 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(C(F)(F)F)nn1C 72470259 XSJUVCZZZKOCMV-UHFFFAOYSA-N 363.343 2.897 0 50 FFAA CSc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1 220343076 BWEODKLOWNUEGR-HZPDHXFCSA-N 364.492 2.969 0 50 FFAA COC(=O)c1ccccc1-c1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1 426619985 GBKLREPWGKLWOK-HXUWFJFHSA-N 364.445 2.964 0 50 FFAA CSc1ccccc1C(=O)N1CCC(N2CCC[C@H](C(=O)O)C2)CC1 221292529 YGEWZKVJGGRVLU-AWEZNQCLSA-N 362.495 2.810 0 50 FFAA CO[C@H](C)c1noc(CN2CCCN([C@@H]3C[C@H]3c3ccccc3)CC2)n1 291288956 ZMHIRYGEVCHSDZ-BPQIPLTHSA-N 356.470 2.841 0 50 FFAA COc1ccc(/C=C/CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)cc1 426727301 BLWMLUGFIVZYRZ-WVMJFEGXSA-N 355.438 2.869 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N(C)C[C@@H]1COCCO1 426496608 BEVHAICVAKRVFD-CQSZACIVSA-N 365.861 2.729 0 50 FFAA CN(CC(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1)c1ccccc1 91519260 MMUICJFNOIGCRG-JOCHJYFZSA-N 369.509 2.907 0 50 FFAA COc1ccc(OC)c([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95367286 UONXXFVTSAHCAU-LJQANCHMSA-N 371.433 2.813 0 50 FFAA C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCN(C(=O)C2CCC2)CC1 95386173 NXMOFZXHYAXCEJ-INIZCTEOSA-N 371.525 2.839 0 50 FFAA CCn1nc(C)cc1C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 92028107 VNLMODBGIDSNSX-NRFANRHFSA-N 372.513 2.999 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCN2CCCO2)C1 95522620 KHWNKKNICTZMGO-HXUWFJFHSA-N 360.454 2.614 0 50 FFAA CCOc1ccc(-c2ccc(CN3C[C@H](N(C)C)C[C@H]3C(=O)O)o2)cc1 97568843 NRKYAFXURHALIS-QAPCUYQASA-N 358.438 2.934 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 95505835 BMWSXCXQKDEJNZ-GOSISDBHSA-N 371.506 2.953 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CC[C@@H](Cc2ccc(CO)cc2)C1 95356668 JRFNYNSFLDTDAZ-KRWDZBQOSA-N 353.418 2.655 0 50 FFAA Nc1cc(N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)nc(N)n1 96132908 ILXRWBIKGNQORW-UHFFFAOYSA-N 353.348 2.708 0 50 FFAA CCCN1CCC(CC(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)CC1 95527564 OWNHBJFHZPMGLX-QGZVFWFLSA-N 354.397 2.719 0 50 FFAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1)n1ccnc1 91644542 GITOGROVYFWCED-INIZCTEOSA-N 358.486 2.618 0 50 FFAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)Nc1ccc(OCc3ccco3)cc1)C2 96142271 TUOUPOHULORHJM-ZBFHGGJFSA-N 369.421 2.991 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1 299740537 BKTNEIJLQFMLAD-CQSZACIVSA-N 369.421 2.520 0 50 FFAA CCn1c(CN(C)Cc2ccc3ccccc3n2)nnc1[C@H]1C[C@H](N)C1 252539168 NUVNFILRWLVVMX-WKILWMFISA-N 350.470 2.683 0 50 FFAA O=C(NCc1cccnc1)c1cc2n(n1)C[C@@H](c1ccc(F)cc1)OC2 263616440 IQQGCOKTTRPKOU-SFHVURJKSA-N 352.369 2.619 0 50 FFAA COC[C@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccnn1C 534633657 HQJVJEYQOLZRSC-SFHVURJKSA-N 374.460 2.911 0 50 FFAA C[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1ccc2c(c1)OCCCO2 299776810 DFCRVXASXOJBKU-CYBMUJFWSA-N 355.438 2.951 0 50 FFAA Cc1nnc(CN(C)C(=O)Nc2ccc(C(=O)NC(C)C)c(Cl)c2)o1 299779113 SACZVKYFEXZJIM-UHFFFAOYSA-N 365.821 2.834 0 50 FFAA CCN(CCn1cccn1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299764701 COFMAKUVWXKKNG-ZCNNSNEGSA-N 352.482 2.957 0 50 FFAA CN(C)S(=O)(=O)Nc1cccc(NC(=O)N2CCCCCCC2)c1 299757783 BFYZKXIFGJFNGD-UHFFFAOYSA-N 354.476 2.703 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)CCc1nc3ccc(F)cc3[nH]1)C2 824804786 MHZIZXYCUURHRE-AWEZNQCLSA-N 369.396 2.763 0 50 FFAA Cc1cc(C)c(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)cn1 823759333 NEUMFOXBQXXIRG-UHFFFAOYSA-N 367.497 2.899 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccccc2F)no1 584887858 ZTYHAUZDWNEJHY-ZDUSSCGKSA-N 362.405 2.976 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2cc(O)ncn2)cc1 584885464 FCXMSLWISDZBNR-QGZVFWFLSA-N 365.437 2.890 0 50 FFAA O=S(=O)(CCOc1ccccc1)NCC1(N2CCCCC2)CCCC1 670451081 BVJNAQUSXIIWQA-UHFFFAOYSA-N 366.527 2.784 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)CN2CCCCCC2)n1 952966859 HBCHMCDVZUBCGS-CYBMUJFWSA-N 360.424 2.839 0 50 FFAA O=C1C[C@@H](c2ccccc2)N(C(=O)[C@H]2CCOc3ccccc32)CCN1 170842381 XVGVRFGXFQFIPV-ROUUACIJSA-N 350.418 2.643 0 50 FFAA COc1ccccc1OCc1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)o1 408513498 HATLOCVMNPPCGD-IBGZPJMESA-N 359.378 2.804 0 50 FFAA O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F 170942085 PSJQMQALLPOPKQ-QGZVFWFLSA-N 359.376 2.962 0 50 FFAA C[C@@H](NC(=O)c1cnc2n1CCCC2)c1nc(-c2ccc(F)cc2)no1 170685966 NBTIPTCTVNYLDG-LLVKDONJSA-N 355.373 2.900 0 50 FFAA Cc1cc(CNC(=O)CCCOc2ccc(Cl)cc2)nc(N(C)C)n1 170608505 ZIUCVSFQDWGRQR-UHFFFAOYSA-N 362.861 2.980 0 50 FFAA CCc1ccccc1OCC(=O)NC1CCC(Oc2cnccn2)CC1 188255982 WZQUBMOWVKRHIM-UHFFFAOYSA-N 355.438 2.924 0 50 FFAA O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@H]1COCCN1C1CCCC1 188684716 WRKGNMTVADSXMU-GOSISDBHSA-N 358.417 2.593 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c2nonc12 1616106716 QKAZFURCMGUPFU-OLZOCXBDSA-N 372.425 2.599 0 50 FFAA Cc1ncc(CN(CCO)Cc2c(C)nn(-c3ccc(F)cc3)c2C)[nH]1 1704327827 KMUUYSUGYKIIII-UHFFFAOYSA-N 357.433 2.654 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4ccc(Cl)cc4n3C)C[C@H]2O)n[nH]1 1704280188 RLTIBNZFKPFLHZ-FZKQIMNGSA-N 372.856 2.539 0 50 FFAA COc1ccc(Cc2nc(-c3cscn3)n([C@H]3CCOC3)n2)cc1OC 1772812091 AIDFGYGLHHJDOZ-ZDUSSCGKSA-N 372.450 2.971 0 50 FFAA COc1cc(-n2nnc(C(=O)Nc3ccccc3F)c2N)ccc1Cl 11690521 ILOPGJDHJDOFCU-UHFFFAOYSA-N 361.764 2.903 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CN(C)Cc3csc(C)n3)C2=O)c1 11702086 FRWUOIMHRCYFMN-HXUWFJFHSA-N 373.522 2.745 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2=O)c1 11817121 BJGRPNQHNOHCJX-NRFANRHFSA-N 352.482 2.743 0 50 FFAA CCCCN(C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC 12439792 AQBRFSGLDZGVII-UHFFFAOYSA-N 359.536 2.581 0 50 FFAA COCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 12712064 MVUXMWUMDZITLG-LJQANCHMSA-N 368.433 2.938 0 50 FFAA Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 14960102 GXIONQYQPXAVJM-IBGZPJMESA-N 355.526 2.950 0 50 FFAA c1ccc(C[C@H]2CN(C3CCN(Cc4cccnc4)CC3)CCO2)cc1 19335400 WNMMAJRDSIVOAV-QFIPXVFZSA-N 351.494 2.990 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)CCc1nnc(-c2ccsc2)o1 19730715 HLJZVJDYENVJGR-UHFFFAOYSA-N 359.455 2.772 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857528698 ZHCXIDNIWMDVAJ-ORAYPTAESA-N 356.426 3.000 0 50 FFAA COc1cc(Cc2c[nH]c(=N)[nH]c2=N)ccc1OCc1ccc(C)cc1 1857532559 HXQYYTGFSFVEQJ-UHFFFAOYSA-N 350.422 2.789 0 50 FFAA COc1cccc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c1C 1857731019 HZDGIIWNACYPIV-XHYAQGIWSA-N 370.493 2.623 0 50 FFAA CN1C(=O)C[C@@H](CNCc2cnc(C3CCCC3)s2)[C@@H]1c1cnn(C)c1 328622661 IPRMSOLDJRPILS-KBXCAEBGSA-N 373.526 2.843 0 50 FFAA Cc1ccc2cc(C(=O)N(CCC(=O)O)C3CCOCC3)c(C)nc2c1 237887134 ONHKCJWXMLGKQB-UHFFFAOYSA-N 356.422 2.948 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)c1cccc(Br)c1 238149955 LITPEXUALWNLBW-WCQYABFASA-N 356.216 2.508 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CSCc1ccccc1Cl)C2 248065022 VXGBADWJGMJTEY-OCCSQVGLSA-N 352.887 2.652 0 50 FFAA COc1ccc(C2(C(=O)N3CCO[C@]4(CCOC4)C3)CC3(CCC3)C2)cc1 376145180 RSLDSCNVNVVPSM-OAQYLSRUSA-N 371.477 2.915 0 50 FFAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccnc(OCC(F)(F)F)c1 266380463 GFHPMMDHRVSXFF-UHFFFAOYSA-N 370.331 2.892 0 50 FFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2cccc(C(N)=O)c2)cc1 818023891 CUVXYSNOGOUSHU-TZIWHRDSSA-N 354.450 2.666 0 50 FFAA NCC[C@H]1CCCCN1C(=O)c1cnn2c(-c3cccs3)ccnc12 952845576 WXGJESPOBPHZFW-CYBMUJFWSA-N 355.467 2.801 0 50 FFAA CC(=O)Nc1cccc2c1CN(C(=O)NCc1cc(C3CC3)n[nH]1)CC2 1875276678 OSEUFHBMOAFWAN-UHFFFAOYSA-N 353.426 2.513 0 50 FFAA CSCC[C@H](NC(=O)NCc1ccc(COC(C)C)cc1)C(=O)O 1875258403 YXRXAZAUMMDHJS-HNNXBMFYSA-N 354.472 2.617 0 50 FFAA C[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N1CCCNC(=O)C1 1875252998 HJDLKRZLRVBKPH-MRXNPFEDSA-N 351.450 2.816 0 50 FFAA O=C(O)[C@H](CC1CCC1)NCc1cc2ccccc2nc1N1CCOCC1 1875306601 LWGVQPRSSZXZKX-IBGZPJMESA-N 369.465 2.804 0 50 FFAA CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875307428 YMMSQCMFDFVSEL-JTQLQIEISA-N 374.363 2.588 0 50 FFAA C[C@@]1(CNC(=O)[C@H]2OC(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1875309113 RNLGGCBERFEURQ-UGKGYDQZSA-N 364.445 2.927 0 50 FFAA CCn1cccc1C(=O)N[C@@H]1CCC[C@@H]2CN(c3nc(C)ns3)C[C@@H]21 1875405658 LJFYZFKADUGIPD-QLFBSQMISA-N 359.499 2.703 0 50 FFAA C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2OCC2CC2)CS1(=O)=O 888101937 RAYYRINXHKOCPJ-SMDDNHRTSA-N 370.446 2.702 0 50 FFAA CCOc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 20176799 PTLOANWZFQZBTH-UHFFFAOYSA-N 353.466 2.842 0 50 FFAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1 4113539 YKCXIYQSIPDJOZ-KRWDZBQOSA-N 362.426 2.681 0 50 FFAA O=C(CN1CCCc2ccccc2C1)Nc1nnc([C@H]2CCCO2)s1 2100537742 SZSIYBXYYINTCE-OAHLLOKOSA-N 358.467 2.777 0 50 FFAA O=C(NCCCN1CCc2ccccc21)c1ccnc2cc(F)cnc12 2325718810 HHPBMPZLLSSBJM-UHFFFAOYSA-N 350.397 2.952 0 50 FFAA O=C1Nc2ncc(Br)cc2C[C@@H]1NC1CC(c2ccccn2)C1 2325764742 SGTZWKSJYFHFJS-KHXKVGHRSA-N 373.254 2.638 0 50 FFAA O=C(Nc1nc(C2CCNCC2)cs1)c1ccc(-c2cnccn2)cn1 2325795303 XSEQIRIJBLZNHZ-UHFFFAOYSA-N 366.450 2.714 0 50 FFAA COC(=O)c1ccc2c(=O)n(Cc3ccc(SC)s3)c(O)nc2c1 2325821348 HKBYMENNUHJVTD-UHFFFAOYSA-N 362.432 2.720 0 50 FFAA N[C@@H](Cc1ccncc1)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 2325856684 ZKEVKZJUXNWUDR-SFHVURJKSA-N 357.417 2.929 0 50 FFAA COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NCC[C@H](N)Cc1ccccc1 2325866513 NVFRPIHTHGUDFD-WEYGHZABSA-N 367.493 2.985 0 50 FFAA O=S(=O)(c1ccccc1-c1ccccc1)N1CC[C@H](c2nc[nH]n2)C1 2325870240 ONUKKBMSVIIAHZ-HNNXBMFYSA-N 354.435 2.650 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 6729992 SHCYSOLRDLCRCJ-OAHLLOKOSA-N 351.834 2.504 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)NCCCc1nc2ccccc2s1 105289743 LVODABVFCCGVSV-UHFFFAOYSA-N 367.430 2.953 0 50 FFAA O=C(NC[C@H]1OCCc2ccccc21)c1ccc(CSc2ncn[nH]2)o1 55341289 GAUIUVFVOLFLFL-MRXNPFEDSA-N 370.434 2.734 0 50 FFAA Cn1ccnc1SCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 65901455 JLKCSRJAHKGYEQ-KRWDZBQOSA-N 358.511 2.541 0 50 FFAA O=C(Nc1ccccc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528626 GPCPFVSPSXRQLY-UHFFFAOYSA-N 366.469 2.821 0 50 FFAA O=C1CC(c2ccccc2)CC(=O)C1=CN[C@@H](Cc1ccccc1)C(=O)O 22135417 XIEGZCYGJBLBSA-NNBQYGFHSA-N 363.413 2.872 0 50 FFAA COC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC(C)C)nc2C)CC1 252496554 PLGDAMILXWVGMH-LBPRGKRZSA-N 351.447 2.778 0 50 FFAA CCN1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c2ccccc21 171892960 UUSRNGDMQMHKEM-SFHVURJKSA-N 355.438 2.907 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(C)C(=O)C1 67973537 ZOBVCRWPEDZLCT-UHFFFAOYSA-N 353.344 2.943 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)c1cccs1 2770991 KATAIBVTRLJQER-UHFFFAOYSA-N 353.391 2.640 0 50 FFAA Cc1ncc(C(=O)NCC(=O)N2CCCc3ccccc32)c(C(C)C)n1 172105717 KJFHATHYTIINQK-UHFFFAOYSA-N 352.438 2.618 0 50 FFAA O=C(c1ccc2nonc2c1)N1CCN(c2nc3ccccc3s2)CC1 72422933 VBULKDQYFQVJFZ-UHFFFAOYSA-N 365.418 2.795 0 50 FFAA CC(=O)c1ccccc1-c1cc(C(=O)O)cc(S(=O)(=O)NC(C)C)c1 71403972 FCNYOTMLUINACT-UHFFFAOYSA-N 361.419 2.941 0 50 FFAA Cc1noc(C)c1-c1nccn1C[C@H](c1ccccn1)N1CCOCC1 71757320 FSTGNDXRURZOGE-QGZVFWFLSA-N 353.426 2.623 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3CC[C@H](Cc4cnn(C)c4)C3)c2c1 363307249 QJYBEESIVWRYAL-CQSZACIVSA-N 352.438 2.544 0 50 FFAA CSc1ccc(CNC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 73866740 DYYGQUJXTMHKQV-KRWDZBQOSA-N 363.527 2.805 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)CC1 328640892 QHUBPYOOLJFAKO-GOSISDBHSA-N 370.453 2.730 0 50 FFAA CC(C)N(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77341019 NUKRRYCSXKIDMG-UHFFFAOYSA-N 374.828 2.814 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)N1CCC(Cn2ccnn2)CC1 154927371 RHLRLLUIGXOMLE-UHFFFAOYSA-N 373.507 2.944 0 50 FFAA CCc1nocc1CN(C)C(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1 331430902 QHKAQYHVTBXXIM-OKILXGFUSA-N 358.442 2.518 0 50 FFAA Cc1cc2[nH]c(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)n2n1 71754117 QUWOKKUKZDXCPE-MRXNPFEDSA-N 358.829 2.558 0 50 FFAA Cc1cnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)nc1N 71751544 TUAGNNCFXMMSBA-QGZVFWFLSA-N 371.460 2.770 0 50 FFAA CCCCN1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)CC1 236761334 MNDXGKJHVSHENY-UHFFFAOYSA-N 374.890 2.581 0 50 FFAA CC(C)CC1(NC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 71314926 DFKZRJKMYGOWGG-FQEVSTJZSA-N 366.452 2.987 0 50 FFAA CCCN1CC[C@@H](CNC(=O)Nc2cc(C)cc(N3CCN(C)CC3)c2)C1 240423823 FRCPZQKFMGLJIF-SFHVURJKSA-N 373.545 2.600 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)N3CCC(C)CC3)nn12 13644527 OWQRQCSNGIVRJH-UHFFFAOYSA-N 352.442 2.619 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)cc1C 72426613 IEJTUBBYJYSTKA-IBGZPJMESA-N 370.493 2.981 0 50 FFAA O[C@@]1(CN(Cc2cccc(F)c2)Cc2ccc3c(c2)OCO3)CCCNC1 72475745 NLEPOWCFQWSIEB-NRFANRHFSA-N 372.440 2.671 0 50 FFAA CCc1c(C)sc2[nH]c(=S)n(CCCN3CCOCC3)c(=O)c12 17073236 KTYFZLGNJMBDAY-UHFFFAOYSA-N 353.513 2.714 0 50 FFAA COc1ccc(OC(F)F)c(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)c1 263347566 OZVPOYTZARLIKS-JQWIXIFHSA-N 372.368 2.549 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)[C@H](C)C(=O)O)c12 263495952 XTVIPLYFXLLBLI-NWDGAFQWSA-N 366.421 2.783 0 50 FFAA C[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccn(C)n1 20616981 LVSGLCXTXXQSJJ-ZETCQYMHSA-N 357.361 2.878 0 50 FFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1nc(-c2ncccn2)no1 91494019 VAOZSRMQHPMHGY-UHFFFAOYSA-N 353.426 2.749 0 50 FFAA O=C(CSCC1CC1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 92080464 NXULZMOLUPXJFI-IBGZPJMESA-N 350.528 2.771 0 50 FFAA O=C(Cn1c(C2CC2)nc2ccccc21)NCc1noc(-c2ccco2)n1 97515173 BXZPTAORDIGTQE-UHFFFAOYSA-N 363.377 2.873 0 50 FFAA CSCCc1nc([C@@H]2C[C@@H](O)CN2)n(-c2ccc(Cl)c(Cl)c2)n1 96133692 FHONNSYNXNFHDX-MFKMUULPSA-N 373.309 2.875 0 50 FFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)CCCc2ccc(F)cc2)C1 91755529 WZFLWXNKKCFLCI-IBGZPJMESA-N 351.418 2.878 0 50 FFAA CCCc1nc(C(=O)NC2CCN(c3ccc(Cl)nn3)CC2)cs1 92096684 KCSGRNVXXDWWBM-UHFFFAOYSA-N 365.890 2.938 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)Nc2ccccc2OCc2ccccn2)C1 95497844 AABHEXHSXIVZPW-HNNXBMFYSA-N 368.437 2.651 0 50 FFAA C/C=C/CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95378716 UPPMMTQVTSVQNX-QRJBUCGNSA-N 354.450 2.770 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2c(C)c(Cl)c(C)[nH]c2=O)C1 91915379 DVTIRYPDVZGXFA-CYBMUJFWSA-N 362.861 2.881 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1cnc(-c3ccccc3C)nc1)C2 91847281 RVVDDHDUVHBPNL-AZUAARDMSA-N 366.509 2.995 0 50 FFAA Cc1nc2cc(CC(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)ccc2[nH]1 244601729 DRCCGZGZIMICJI-BJLQDIEVSA-N 363.461 2.912 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)cn1 244795429 RGGRNJZVEAQLIW-FRIZHTMISA-N 362.376 2.539 0 50 FFAA CCOc1ccc(CCC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cc1 299741528 FPDAGCBBCHQRAV-ZIAGYGMSSA-N 359.344 2.739 0 50 FFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1oc2ccccc2c(=O)c1O 253413255 UHAUKBFVWCFPQP-AWEZNQCLSA-N 368.341 2.892 0 50 FFAA biogenic O=C(NCc1ccc2c(c1)OCCCO2)N1CCC[C@H](Cn2ccnc2)C1 534673790 VIKGRCGHHCBYRM-QGZVFWFLSA-N 370.453 2.666 0 50 FFAA COCCN1CCN(C(=O)c2cccc(-c3cccc(N(C)C)c3)c2)CC1 299789206 UGACHJJVJONVPL-UHFFFAOYSA-N 367.493 2.824 0 50 FFAA CCC1=NO[C@@H](CNC(=O)Nc2cc(-c3nnc(CC)o3)ccc2OC)C1 299763679 PBKRMIHIFVRHRV-CYBMUJFWSA-N 373.413 2.984 0 50 FFAA Cc1c(NC(=O)NC2CCN(c3cnccn3)CC2)cc2[nH]cnc2c1C 299778494 MUYBSVZXTBJBFP-UHFFFAOYSA-N 365.441 2.760 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 670471464 BVMYTFYLIXLWJC-ZDUSSCGKSA-N 370.902 2.718 0 50 FFAA O=S(=O)(NCCN1CCC[C@H](c2ccccc2)C1)N1CCCCCC1 670459776 FPGGIQJDHKUXIE-IBGZPJMESA-N 365.543 2.576 0 50 FFAA Cc1cnc2c(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cnn2c1 895772841 VVFGSXJWFPDOJS-INIZCTEOSA-N 352.394 2.848 0 50 FFAA Cc1cc(=O)n2nc(CSc3ncnc4sc5c(c34)CCC5)nc2[nH]1 170595582 ADARYMCTEQQWEU-UHFFFAOYSA-N 370.463 2.512 0 50 FFAA Cn1nc(CCNS(=O)(=O)c2ccc(Cl)s2)c2ccccc21 186193396 AZFHMNZBJIASLU-UHFFFAOYSA-N 355.872 2.809 0 50 FFAA CN(C)Cc1ccccc1CNS(=O)(=O)c1c[nH]c2cccc(F)c12 195062141 PFPBYZYOOUXPHF-UHFFFAOYSA-N 361.442 2.847 0 50 FFAA Fc1ccc(N2CCC(NCc3noc([C@H]4CCCO4)n3)CC2)cc1F 1506397780 CTLYCCMRHMRCCY-MRXNPFEDSA-N 364.396 2.958 0 50 FFAA OC[C@]1(O)CCOC2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1 1704345493 ZOYSVMMWMAJEJV-INIZCTEOSA-N 360.281 2.862 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772709780 MLZJTBYVCNGFQG-JTSKRJEESA-N 360.461 2.857 0 50 FFAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(CCCn2cccn2)CC1 11841238 SSPJBXJLABDLOL-UHFFFAOYSA-N 358.490 2.791 0 50 FFAA CC(C)(C)CN1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 12448706 QVHGYGNHAKOLNE-UHFFFAOYSA-N 372.557 2.920 0 50 FFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)N(C)C)CN(Cc3ccccc3)C2)cn1 14750652 CIJFUQPANBGSNN-VQTJNVASSA-N 367.493 2.995 0 50 FFAA O=C(CCCn1cncn1)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 15066366 MLCCTAIFMUHINE-KRWDZBQOSA-N 362.437 2.709 0 50 FFAA COc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 16649289 XQWRIUIGCOBMQW-UHFFFAOYSA-N 362.451 2.517 0 50 FFAA CC[C@@H](C(=O)Nc1cccc(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 17043393 INSORBSZGOXKAF-HNNXBMFYSA-N 357.797 2.933 0 50 FFAA Cc1cc(CN(C)c2ccc(C(=O)NCC[C@H]3CCCCN3C)cn2)on1 19148885 YFMOXWIADDHKOZ-QGZVFWFLSA-N 371.485 2.619 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCCO 1857674176 VTCZMXAOUPVXRU-CYBMUJFWSA-N 365.861 2.976 0 50 FFAA CCn1cc(CN(CCOC)C(=O)c2c(-c3ccccc3)n[nH]c2C)cn1 1857728600 IVEIAQBXNNBQAX-UHFFFAOYSA-N 367.453 2.890 0 50 FFAA CCC[C@]1(CO)CCN(Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C[C@@H]1O 1875249137 JXPXKMVELTWWDE-RBUKOAKNSA-N 364.873 2.527 0 50 FFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C 2516172 XISNUVNLGJKNIK-BPUTZDHNSA-N 364.442 2.553 0 50 FFAA in-vitro Cc1c(Cl)cccc1OCC(=O)N(CCC(=O)O)C1CCOCC1 328595522 XEYRXTXQPKJSFW-UHFFFAOYSA-N 355.818 2.510 0 50 FFAA COCc1nc(C)c(-c2nc(C3(NC(C)=O)CCCCC3)no2)s1 349651344 UHVQUSURWNIKRS-UHFFFAOYSA-N 350.444 2.943 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)Cc1ccccc1Cl 262371792 FNPMVPMQVYSLNX-DFBGVHRSSA-N 357.859 2.888 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 858959349 SYMHOCPOKQPVLS-UHFFFAOYSA-N 355.463 2.894 0 50 FFAA O=C(Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1)[C@H]1COCCO1 864096410 CXZWWQQXTUBZMI-QGZVFWFLSA-N 355.369 2.647 0 50 FFAA CCN1C(=O)Cc2cc(NC(=O)C[C@@H](Cc3ccccc3)C(=O)O)ccc21 1875290916 IJLWKILXYZLSLM-MRXNPFEDSA-N 366.417 2.868 0 50 FFAA O=C([C@H]1CCCc2nn[nH]c21)N1CCc2nc(C3CCCCC3)[nH]c2C1 1875269543 OEIYGWCHWGZUDM-ZDUSSCGKSA-N 354.458 2.580 0 50 FFAA COC(=O)[C@H](C1COC1)N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 1875302076 YZHLDMZOJGNKQF-BZNIZROVSA-N 373.371 2.845 0 50 FFAA O=C(Cc1cc(C(F)(F)F)co1)N1CC[C@@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875400902 CBDFBUCPJHAPGN-AAEUAGOBSA-N 370.331 2.664 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2n(c1)CCCC2 1875401574 LMCITONRFTYZDZ-IAGOWNOFSA-N 369.469 2.755 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 888077062 GXSZSODEBJFXRP-GFCCVEGCSA-N 351.332 2.758 0 50 FFAA O=C1Nc2ccccc2CC[C@H]1Sc1nnnn1-c1ccc(F)cc1 32094674 NPKUWPSOTONKSE-OAHLLOKOSA-N 355.398 2.847 0 50 FFAA Cc1nn(C)c2ncc(CN[C@@H](Cc3ccccc3)C(=O)OC(C)C)cc12 2325789692 GJNJLESNSDRUMG-IBGZPJMESA-N 366.465 2.929 0 50 FFAA Cc1cccc(-n2nc(Cn3nccn3)nc2-c2cccc3oc(O)nc23)c1 2325824004 LJKWODYEVFIKHM-UHFFFAOYSA-N 373.376 2.729 0 50 FFAA CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 826222 IITATKCUYSUFMF-UHFFFAOYSA-N 360.844 2.703 0 50 FFAA CCOC(=O)c1c(C)n(C)c2cc(Br)c3oc(=O)n(C)c3c12 978595 MPMYRLKRUHJZBQ-UHFFFAOYSA-N 367.199 2.871 0 50 FFAA COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)c1 1075825 HPYTXTHHJNJPPC-OAQYLSRUSA-N 369.417 2.919 0 50 FFAA CCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1 1131374 FSTMZBGKAUYQOV-KRWDZBQOSA-N 363.435 2.888 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCCC(=O)c2ccccc2)CC[C@H]1O 2356142641 ASSWFKJGOXGHEI-YLJYHZDGSA-N 361.438 2.504 0 50 FFAA O=C(O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 4812137 XLRYNLAQFRRTLC-QPUJVOFHSA-N 355.272 2.970 0 50 FFAA CCOC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 6480569 ALGIGSGCXYVZGX-UHFFFAOYSA-N 353.371 2.812 0 50 FFAA Cc1ncc(C(=O)N(CCO)CCSc2ccc(Cl)cc2)cn1 55090231 JQEGKKIIGRFJKK-UHFFFAOYSA-N 351.859 2.665 0 50 FFAA O=C(Nc1nccs1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101321509 RIMRKDGYTXWJAT-LWWSYDQCSA-N 365.414 2.707 0 50 FFAA Cc1nc(S(=O)(=O)Nc2ccc(OCCc3ccccc3)nc2)cn1C 135330447 AJYORLAEGURWHR-UHFFFAOYSA-N 372.450 2.546 0 50 FFAA C[C@@]1(CO)CCCN(Cc2ccccc2-c2nc(C(F)F)cc(=O)[nH]2)C1 23619975 QADQDWOOQIWLIY-LJQANCHMSA-N 363.408 2.969 0 50 FFAA Cc1ccc(C2(CN(C)C[C@@H]3Cc4ccccc4O3)CCNCC2)nc1 65410162 VVLREIYYBILSQB-IBGZPJMESA-N 351.494 2.947 0 50 FFAA O=C(O)CSc1nnc(-c2ccn[nH]2)n1-c1cccc(C(F)(F)F)c1 67821752 SEWPTJRPXLKORE-UHFFFAOYSA-N 369.328 2.853 0 50 FFAA CN(C)c1nc2c(s1)[C@H](c1ccc(Cn3cccn3)cc1)CC(=O)NC2 65508820 LWOVOAFITPLKFC-HNNXBMFYSA-N 367.478 2.606 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)cn1 328846624 QNEICWGQWIEPSM-CQSZACIVSA-N 359.451 2.658 0 50 FFAA CCn1ncnc1[C@@H]1CC(=O)Nc2c1cnn2Cc1ccccc1Cl 65409511 IKSMXNBTWCGJNM-GFCCVEGCSA-N 356.817 2.670 0 50 FFAA CN1CCN(CCCNC(=O)CCc2ccncc2)[C@@H](c2ccccc2)C1 229519369 SNBQAVIVQMWBIP-OAQYLSRUSA-N 366.509 2.509 0 50 FFAA CCc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 33318534 QHFHZFBVKIJVNN-UHFFFAOYSA-N 368.485 2.768 0 50 FFAA O=C([C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1)N1CCOCC1 253369739 HOMYLKIBNCSMSH-XAERSFSZSA-N 368.477 2.718 0 50 FFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 122535091 QEAFYUGVQKTAER-QUCCMNQESA-N 369.509 2.731 0 50 FFAA O=C1COc2c(cccc2C(=O)N2CCC(CCCN3CCCC3)CC2)N1 153820886 SNORKKNOMDVSQS-UHFFFAOYSA-N 371.481 2.746 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 153861271 NJAXQFGJCMAOGA-FXAWDEMLSA-N 367.493 2.902 0 50 FFAA Cc1n[nH]c(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1Cl 219509545 NCZBHOGYRGVFGM-ZUEPYMLJSA-N 361.829 2.548 0 50 FFAA COc1ccccc1C(=O)NCC(=O)N[C@H]1CCCOc2c(F)cccc21 155126215 XARPVNXSGZCAFR-INIZCTEOSA-N 372.396 2.594 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](OC)CC1 378632002 JBTATLSZAZJXRF-SJLPKXTDSA-N 374.481 2.717 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 72152079 TZSSRFLVRJAVBL-HXUWFJFHSA-N 366.421 2.557 0 50 FFAA O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 72437927 VPKLIJXHDFTIPO-INIZCTEOSA-N 366.483 2.663 0 50 FFAA COc1cccc(C2(C(=O)N3CC[C@](CO)(c4ccccc4)C3)CC2)c1 368273483 MVISUWXLDKPQQT-NRFANRHFSA-N 351.446 2.889 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 72458066 GNMZMCYYYXRUKH-CQSZACIVSA-N 359.470 2.773 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)OC1=O 77439567 IUZXCNAHQPGKEH-LBPRGKRZSA-N 368.865 2.689 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)Cc3ccc(C)c(C)c3)C2)CCC1=O 77407647 WJLXYHHAUQQQMP-JOCHJYFZSA-N 372.509 2.724 0 50 FFAA CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2NS(C)(=O)=O)C1(C)C 332484808 VXDHSAITLQXOKN-CABCVRRESA-N 372.462 2.519 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 332522231 ANOWBUDAUBFTSW-IAGOWNOFSA-N 368.474 2.872 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccccc1-n1cccn1)C2 76140116 PRNNAQRTANXTCB-KRWDZBQOSA-N 363.417 2.748 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@H](CCc3ccccc3F)C2)c(=O)[nH]1 71750548 USXZZVHMMOVVBA-OAHLLOKOSA-N 357.429 2.631 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 238102149 YYMXPLXZETYQGM-CQSZACIVSA-N 364.829 2.846 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(CC(=O)O)c(F)c1)CO2 263224213 PRCUKHCQSVQION-ZDUSSCGKSA-N 359.353 2.651 0 50 FFAA Cn1nc(CNC(=O)COCC(F)(F)C(F)F)c2c(Cl)cccc21 220175619 XBVMXDSBFMWXTC-UHFFFAOYSA-N 367.730 2.760 0 50 FFAA CN1CCC(CC(=O)N(Cc2ccncc2)C[C@@H](O)c2ccccc2)CC1 426504012 OEIFSAYZISOEAR-OAQYLSRUSA-N 367.493 2.876 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)ccc2s1 223913807 NQOOYSGDCJQDQZ-SUYBPPKGSA-N 356.451 2.580 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N(C)Cc1cc(-c2ccncc2)no1 426393102 XULGESNSWOKUNQ-GFCCVEGCSA-N 368.441 2.990 0 50 FFAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cc1 221283179 SRSVWAIIKCKSKA-UHFFFAOYSA-N 372.450 2.563 0 50 FFAA COc1ccc(C(=O)N2CCCC[C@H](NC(=O)NCc3ccco3)C2)cc1 82138349 OINAHDGQLCRLIJ-INIZCTEOSA-N 371.437 2.782 0 50 FFAA Cc1nc(N(C)C)nc(-c2cccc(C(=O)N(C)Cc3cc[nH]n3)c2)c1C 426624769 MKJOOCOWZVXLTA-UHFFFAOYSA-N 364.453 2.822 0 50 FFAA CCOc1ccc(CN2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1 82148528 MMODGOODTNTYGX-UHFFFAOYSA-N 370.497 2.900 0 50 FFAA CN(CC(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1)Cc1ccccn1 95371129 NLXKHPCAGRNXBX-SFHVURJKSA-N 367.449 2.618 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccccc1-n1cnnc1 426632921 SZGZWOBZUPMBMB-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA Cc1ccc(C)c(C(=O)N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)c1 96141451 OGEVHIOHXFJNRV-KKSFZXQISA-N 356.466 2.705 0 50 FFAA CCn1ccc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)cc1=O 91547627 NFLUBHCZGWKUIL-UHFFFAOYSA-N 369.465 2.618 0 50 FFAA O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(Cc2ccncc2)C1 91848738 YEGNGPNNCUMINY-QQABJKMWSA-N 353.466 2.515 0 50 FFAA CCCn1nc(CCSC)nc1Cn1cc(C(F)(F)F)ccc1=O 96148483 BALOJSOMZYLZED-UHFFFAOYSA-N 360.405 2.822 0 50 FFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2C(=O)O)c(-c2ccccc2)o1 95387004 PQNCINHJDVPKQX-MRXNPFEDSA-N 351.362 2.802 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)N(C)C)cc1 95369767 NZWZAFFTHBSMNZ-FQEVSTJZSA-N 353.466 2.652 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@@H]3CCCCO3)CC2)cc1 95500670 LPCKWFDYKWAWCA-NRFANRHFSA-N 374.525 2.977 0 50 FFAA CN(C)C(=O)[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1ccccc1 91604730 ORWADUYOJDVXRO-SFHVURJKSA-N 366.396 2.775 0 50 FFAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NS(=O)(=O)N(C)C)cc1 91755002 SYHQILFDMHWWAN-MRXNPFEDSA-N 362.499 2.590 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCC[C@H]2O 91848997 DMKJBHHQMBDPME-OAHLLOKOSA-N 357.372 2.780 0 50 FFAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCCC1)c1n[nH]c2c1COCC2 97217711 MDAFAUHTVMNJIZ-GOSISDBHSA-N 372.444 2.579 0 50 FFAA Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239339018 LPCKYGOUPHLYKM-PSJNWGMYSA-N 365.429 2.652 0 50 FFAA COc1ccc(OC[C@H](O)CNC(=O)c2cc3cc(C)ccc3n2C)cc1 97813659 KEWYFJUIEFZRTF-MRXNPFEDSA-N 368.433 2.665 0 50 FFAA CC[C@H](CO)N(Cc1ccco1)C(=O)Nc1cccc(C(=O)NC)c1C 97634956 QDQLLFCMJIBJTP-CQSZACIVSA-N 359.426 2.753 0 50 FFAA COc1ccc(-c2noc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)n2)cc1 237444142 WBMRMVTXYPCSOD-BPUTZDHNSA-N 357.410 2.963 0 50 FFAA CN1CCC(n2nc(-c3ccco3)nc2[C@@H](N)Cc2ccc(O)cc2)CC1 96132766 LTSIAVRUGGQIDQ-KRWDZBQOSA-N 367.453 2.753 0 50 FFAA COc1cc2c(cc1CNC(=O)Nc1cccn3nc(C)nc13)CCC2 97259269 SFZNKINBTBAYEG-UHFFFAOYSA-N 351.410 2.857 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95513057 MVRAUMCFQRZDPC-AWEZNQCLSA-N 370.482 2.624 0 50 FFAA O=C(C1CCC1)N1CC[C@]2(O)CCN(Cc3cc(F)ccc3F)C[C@@H]2C1 95382334 JQAPFEDHDHLWNF-OXQOHEQNSA-N 364.436 2.550 0 50 FFAA CSCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91725989 OFIRDDWNBBLDFX-UHFFFAOYSA-N 368.449 2.669 0 50 FFAA COc1ccc(CCNC(=O)CN2CCCN(C3CCCCC3)CC2)cc1 244795907 RPPIUYIFNPACAQ-UHFFFAOYSA-N 373.541 2.694 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccnc3ccccc23)[C@H]2C[C@@H](O)C2)cn1 244898968 ZESMXHHTIINLSB-MDOVXXIYSA-N 363.417 2.880 0 50 FFAA COc1ccc(Cl)cc1CN1CCN([C@@H](C)c2nc(C)no2)CC1 298303763 LNCOASGJPBACGL-LBPRGKRZSA-N 350.850 2.919 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 534649832 VKISSYRUTHWROO-SFHVURJKSA-N 356.514 2.701 0 50 FFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cccn3cnnc23)C1 299780367 ADSRZLAYUOIRAU-MRXNPFEDSA-N 350.422 2.969 0 50 FFAA Cc1cc(C)nc(CNC(=O)Nc2ccccc2OC[C@@H]2CCCO2)n1 299762129 RMGMNOYJRXSTRH-HNNXBMFYSA-N 356.426 2.973 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1cc(C(F)(F)F)n[nH]1 670465054 UKGSJPXZFIKUCB-UHFFFAOYSA-N 350.300 2.786 0 50 FFAA Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@]1(C)CCN(C)C1 670439050 IDJBHHFLDAVIQY-FQEVSTJZSA-N 355.438 2.912 0 50 FFAA CN(C)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C[C@H]2C1 1355431618 DLSWOBWXUMUOLD-SRHPJPHMSA-N 356.510 2.995 0 50 FFAA COc1cccc(C[C@@H]2CN(C(=O)Cc3cc(C)ccc3F)CCN2)c1 1454344439 JPQCCTHECMGUQO-GOSISDBHSA-N 356.441 2.728 0 50 FFAA Cc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2OCc2c(C)noc2C)cc1 1565516197 KOBDZQRYAMOASS-OALUTQOASA-N 358.438 2.633 0 50 FFAA Cc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)cc1 1565517008 TWZUAVRJXQIXHH-SFTDATJTSA-N 369.461 2.773 0 50 FFAA C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 272190746 BJDOGKCFZRZMRP-AEFFLSMTSA-N 359.514 2.566 0 50 FFAA CCOC(=O)C1CCC(O)(CN(C)Cc2ccc(OC)cc2OC)CC1 170613576 WSXBHCGWQKFADB-UHFFFAOYSA-N 365.470 2.620 0 50 FFAA CCc1nsc(N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n1 275395640 AQLWDHZBJBNYDP-RYUDHWBXSA-N 355.508 2.914 0 50 FFAA Cc1cccc2c1OCC[C@H]2NC(=O)c1cn(-c2ccc(F)cc2)nn1 190151508 IYJOKFBYSNDOSV-MRXNPFEDSA-N 352.369 2.968 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)cn1 1615740162 QBMHDPFGBZPXGV-JXFKEZNVSA-N 364.449 2.688 0 50 FFAA O=C(CCCN1CCCCC1=O)N[C@@H]1CCCN(CC2CCCCC2)C1 12387577 OTZPKADPFPKUKQ-LJQANCHMSA-N 363.546 2.940 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)C2(C)CC2)cc1 12446146 KWSREMYSLFKOEH-QGZVFWFLSA-N 352.438 2.910 0 50 FFAA O=C(NCCc1ccco1)c1cn(Cc2ccccc2C(F)(F)F)nn1 12580634 CDVFRUHUDSCKIM-UHFFFAOYSA-N 364.327 2.911 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1 13331674 XQCBGSNQUBFQSI-UHFFFAOYSA-N 352.500 2.573 0 50 FFAA COc1ccccc1C(=O)N1CCC(=O)N(Cc2cccc(C)c2)CC1 15006457 GRGFVOYDYMHGJU-UHFFFAOYSA-N 352.434 2.878 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 19952542 KUGHNGKVXJMXPD-OAQYLSRUSA-N 372.557 2.850 0 50 FFAA O=C(c1cc(C(F)F)[nH]n1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857669162 LUADUQLQPNHRDC-UHFFFAOYSA-N 357.364 2.978 0 50 FFAA COc1ncccc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857677886 PTKIXBAIOGPHPX-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)c2ccccc2OC(F)(F)F)C[C@H]1O 1857713100 XROPZNOOHBOBJD-GDBMZVCRSA-N 361.360 2.571 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)C2(N)CCCC2)CC1 1857714514 CFEYUGKSVSHPFS-UHFFFAOYSA-N 372.513 2.558 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cnc(C(C)C)s2)o1 328615139 XTMBAVOTKCSZLH-NSHDSACASA-N 350.444 2.987 0 50 FFAA Cc1cc(-c2nc(C)c(C(=O)NC3(CO)CCOCC3)s2)ccc1F 901357204 PJKSEGROXHJNPS-UHFFFAOYSA-N 364.442 2.837 0 50 FFAA C[C@H](CN(C)C(=O)c1cc2cccc(C(F)(F)F)c2nc1O)C(=O)O 901654272 YBCGQNSPIXNRPP-MRVPVSSYSA-N 356.300 2.752 0 50 FFAA CCOC(=O)N1CCC(N2CCC[C@]3(CCc4cnc(C)nc43)C2)CC1 1704308406 QKGMUBRHIBOGLA-FQEVSTJZSA-N 358.486 2.686 0 50 FFAA C[C@@H](NC(=O)Cc1ccccc1S(=O)(=O)C(F)F)c1ccns1 863615383 PYGPDBASMOEOSJ-SECBINFHSA-N 360.407 2.559 0 50 FFAA CN(C)C/C=C/C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1875376827 JQNKPZUUCKEMMB-XVJNWHFHSA-N 353.507 2.646 0 50 FFAA C[S@](=O)(=NC(=O)c1nnn2ccccc12)c1cccc2cccnc12 1875332351 PLZONRHMKRPRAY-RUZDIDTESA-N 351.391 2.575 0 50 FFAA CC(=O)N[C@H](C)c1cc(Cl)cc(-c2ccc(S(N)(=O)=O)cc2)c1 1875335043 QJFPWCJNRVHHNY-SNVBAGLBSA-N 352.843 2.852 0 50 FFAA NC(=O)[C@H]1C[C@@H]2[C@@H](NC(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C[C@H]2C1 1875323334 FHBPYCHCNPHQLO-KLTVKPSUSA-N 367.371 2.608 0 50 FFAA CN1C(=O)CC[C@H](CNc2ncc(Cl)cc2F)[C@H]1c1nccn1C 886093810 IXYLRULQUUSUNO-YGRLFVJLSA-N 351.813 2.629 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(OC3CCCC3)nc2)C1 888077604 KYRJBNBARNXAQX-HZPDHXFCSA-N 356.426 2.728 0 50 FFAA Cc1ccc2nnc(CNC(=O)NCCc3cccc(C(C)(C)C)c3)n2n1 2325745564 FFQNUWCPRJYNGE-UHFFFAOYSA-N 366.469 2.772 0 50 FFAA CCn1nc(C(=O)N(C)CCN(C)C(=O)C[C@@H]2CC[C@@H]3C[C@H]23)cc1C1CC1 2325794446 CBRUEBWVEHZDDA-IKGGRYGDSA-N 372.513 2.747 0 50 FFAA NC[C@]1(F)C[C@@H](C(=O)Nc2c(O)cc(Br)cc2Cl)C1 2325795663 SDNCZBGYZNVHNB-ZFUMSHNSSA-N 351.603 2.824 0 50 FFAA CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1CC[C@H]2COCC[C@H]2C1 2325827004 ROIYOAMMJLCVMM-QEOTZNIISA-N 368.543 2.646 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCC(=O)O)cc1 2912572 ZWOSRMPQWBJDOU-MHWRWJLKSA-N 372.808 2.620 0 50 FFAA COc1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(OC)c1 2927575 FMZHYAIYQUAFMQ-UHFFFAOYSA-N 362.769 2.904 0 50 FFAA biogenic COc1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1F 104324212 QWVJFNKFEJNEGR-LJQANCHMSA-N 373.472 2.607 0 50 FFAA COCCn1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cn1 225413838 XTNYCDZMOFXOQL-DOTOQJQBSA-N 366.506 2.655 0 50 FFAA CCc1cc(N2CCC[C@@H](NC(=O)[C@H](OC)c3ccccc3)C2)ncn1 112501194 WHCYKLPVWBPQKF-IEBWSBKVSA-N 354.454 2.512 0 50 FFAA CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2F)CC1 55060343 MVGMQHICLKFGDD-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)N(c3ccccc3)O[C@H]2C1=O 101268005 HSUUERRBFBTAAB-RCCFBDPRSA-N 352.390 2.562 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1cc(COc2cncc(Cl)c2)on1 67871488 TXIFGSRIGTVDBF-QGZVFWFLSA-N 373.796 2.765 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1c(C)nn(C(C)C)c1C)C2 67946291 OZWQBQDKPIILIQ-HNNXBMFYSA-N 373.501 2.985 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCNC3)[nH]c2-c2ccccn2)cc1 67934625 HABKFLOWOPOODR-MRXNPFEDSA-N 361.449 2.673 0 50 FFAA COC(=O)c1cc2n(n1)CCCN(Cc1ccc([C@H]3CCCCO3)o1)C2 65506686 UFTKKASNQVWLPP-QGZVFWFLSA-N 359.426 2.910 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CC[C@](O)(c2ccccc2)C1 65493582 PKPOYJVKSUOKNT-OAQYLSRUSA-N 354.450 2.612 0 50 FFAA Cc1nnsc1CN(C)Cc1cccn1S(=O)(=O)c1ccccc1 67975751 CDYRLEVTADXRIZ-UHFFFAOYSA-N 362.480 2.517 0 50 FFAA CCn1cc(CNC(=O)c2cccc(I)c2)c(C)n1 2760129 MOPMMGGNLJBCEI-UHFFFAOYSA-N 369.206 2.746 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 185752057 CPABEKSFMGOQRD-UHFFFAOYSA-N 374.363 2.587 0 50 FFAA COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1-n1cnnn1 36358970 YHIPLLBNIICVQR-UHFFFAOYSA-N 362.393 2.724 0 50 FFAA CN(Cc1c(Cl)nc2ccccn12)C[C@H]1CCCN1c1cccnn1 120360811 POQLXFIMVZUEJU-CQSZACIVSA-N 356.861 2.879 0 50 FFAA CCc1noc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72137313 KMHUTQUCDXMWMS-PWIZWCRZSA-N 374.435 2.972 0 50 FFAA CCC[C@@H](C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)N(C)C 152691515 JHOOPBSJNGAOAN-SFHVURJKSA-N 367.497 2.523 0 50 FFAA Cc1cccc(OC2(C(=O)O)CCN(C(=O)NCc3ccco3)CC2)c1 72481456 ZBDBTJWGWJEBGH-UHFFFAOYSA-N 358.394 2.796 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2cnc(NCc3ccccc3)nc2)C[C@H]1C(C)C 77505377 IFWAJSVGQHRMKG-VQTJNVASSA-N 367.497 2.681 0 50 FFAA C[C@@H]1[C@@H](O)CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 332696866 RUCFAIHQSRVVLG-WQGACYEGSA-N 355.841 2.613 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(=O)[nH]1 77440090 NAOSCYLIFVETMW-OAQYLSRUSA-N 371.481 2.506 0 50 FFAA CC(C)[C@H](O)C1CCN(c2ccnc(C(=O)NCc3ccco3)c2)CC1 71746021 QXHAKPPWQQAOBT-IBGZPJMESA-N 357.454 2.838 0 50 FFAA C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)N[C@@H]1CCCS(=O)(=O)C1 333799488 XXFXOPBEPNSNMM-SJLPKXTDSA-N 368.474 2.510 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 237652778 ZZUUEBRSORXVMM-HNNXBMFYSA-N 351.200 2.867 0 50 FFAA Cc1nc(Cn2nnc(NC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)no1 284091957 LYQGTTZFKPCPLX-VIFPVBQESA-N 372.454 2.765 0 50 FFAA O=C(Nc1ccccc1)C1CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)CC1 237876051 AXKDSAHWUOSJFE-QNBRMCRTSA-N 355.482 2.784 0 50 FFAA Cc1cnc(C(C)(C)NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)s1 175146841 FRSBFEMJCZWLPG-UHFFFAOYSA-N 373.478 2.960 0 50 FFAA Cc1ccc(F)c(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)c1F 48235861 RTKUKMKADNVYSF-UHFFFAOYSA-N 364.396 2.569 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N1CCN(c2ccccc2)C(=O)C1 82106099 UEAIMTFBCQKYKM-UHFFFAOYSA-N 368.433 2.728 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCC[C@H](c4ncon4)C3)n2)c1 426501741 HVUQEYKFAOFEOJ-HNNXBMFYSA-N 367.409 2.767 0 50 FFAA COc1cc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)ncn1 82087630 CTTPKLQAMIWOFK-UHFFFAOYSA-N 356.474 2.832 0 50 FFAA CC(C)N1C[C@@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)CC1=O 426431112 MGVOJRXOGZFSIP-CYBMUJFWSA-N 365.861 2.501 0 50 FFAA O=C1CCCN1Cc1cccc(-c2noc(-c3ccnn3CC(F)F)n2)c1 289162152 UOHCXLAEMIZLJJ-UHFFFAOYSA-N 373.363 2.988 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)N2CC(N3CCCC[C@H]3C)C2)cn1 426360233 ZLDCCGJRXKXBAT-QGZVFWFLSA-N 367.497 2.949 0 50 FFAA Cc1nc(C)c(CNC(=O)Nc2cc(NS(C)(=O)=O)ccc2C)s1 426530398 JZZNLNXQDMCKQW-UHFFFAOYSA-N 368.484 2.762 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)Cc3ccc(CO)cc3)C2)cc1 95378224 KOOCQZVMZWAQKB-LJQANCHMSA-N 353.418 2.826 0 50 FFAA COC(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c(C)c1 426387040 GAQIICTYAPXBJV-SFHVURJKSA-N 366.417 2.539 0 50 FFAA O=C(NCc1coc(-c2ccccc2)n1)c1coc(CN2CCOCC2)c1 95388801 GRMQSIUMPWMNDH-UHFFFAOYSA-N 367.405 2.697 0 50 FFAA O=C(c1ccc(F)c(F)c1)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95363965 RSWFFVVCDUZFRN-VBKZILBWSA-N 373.355 2.743 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccccc1Cl 239433420 XQTMZTLWLKIUCR-OIXHTRDQSA-N 370.836 2.722 0 50 FFAA CN1CC[C@@]2(CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)C2)C1 292639492 WOCNUTNUNXTDDC-HXUWFJFHSA-N 353.422 2.700 0 50 FFAA Cc1ccc2nc(C(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)O)cn2c1 95517196 MBQHRGAYRVIQQU-SFHVURJKSA-N 374.400 2.776 0 50 FFAA O=C(c1ncccc1O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91435020 FETGCKXYGFBLEI-FQEVSTJZSA-N 357.454 2.575 0 50 FFAA COc1ccc(CCNCCOc2ccc(NC(C)=O)cc2)cc1OC 96027722 OWDCFSNVMPQXLL-UHFFFAOYSA-N 358.438 2.873 0 50 FFAA COCc1cccc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)n1 97604141 SWRTXBCVLVLFNZ-GOSISDBHSA-N 350.422 2.986 0 50 FFAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CC[C@H](N)C1 237799305 MMBOKYTYOXCNMY-AWEZNQCLSA-N 366.387 2.610 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244887844 YPLUXXITFBCFOF-LDBYXDLTSA-N 364.449 2.746 0 50 FFAA Cc1cc(NC(=O)[C@H]2CC[C@H](Cn3nnc4ccccc4c3=O)CC2)no1 245325513 FITIMYUXLWDMGA-HDJSIYSDSA-N 367.409 2.533 0 50 FFAA CCc1ncc(CN2CCN(c3nccc(-c4ccccc4)n3)CC2)cn1 244811803 SLNLWUKQOWMZKQ-UHFFFAOYSA-N 360.465 2.818 0 50 FFAA O=C(CN1CCC(n2ccc(C(F)(F)F)n2)CC1)NC(C1CC1)C1CC1 183168922 RAVSLRMWTCLAMY-UHFFFAOYSA-N 370.419 2.844 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1NS(C)(=O)=O 298197590 DMLOAVFVOJAYJH-KRWDZBQOSA-N 358.463 2.654 0 50 FFAA CCCCN1CCn2nc(CNC(=O)N[C@@H](C)c3ccc(C)nc3)cc2C1 534673618 ITDOAUBHTHHBLW-INIZCTEOSA-N 370.501 2.763 0 50 FFAA O=C(N[C@@H]1CCc2ccccc2C1)N1CCN(c2ccc(O)cc2)CC1 534658205 VIBHLZSOPGOAJY-GOSISDBHSA-N 351.450 2.781 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3c(C)[nH]c(C(=O)O)c3C)CC2)o1 299761332 VDDWQXKFSUURKZ-UHFFFAOYSA-N 373.453 2.873 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 299758899 FFOGFLZAFXPVQQ-CQSZACIVSA-N 360.845 2.534 0 50 FFAA CC(C)c1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)nc(N)n1 299757841 CHHKGZQJQLMXQZ-UHFFFAOYSA-N 367.497 2.619 0 50 FFAA Cc1ccc([C@H](NC(=O)CCN2CCOCC2)c2cccnc2)c(C)c1 299764693 CKNCKAOKMUUCBH-OAQYLSRUSA-N 353.466 2.626 0 50 FFAA CCc1nc(CCNC(=O)Nc2c(C)cnn2Cc2cccc(F)c2)no1 299767859 WMQMBDCFAWGVTQ-UHFFFAOYSA-N 372.404 2.689 0 50 FFAA Cc1nn(CCNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)c(C)c1C 584900998 SFZYYCBAAYHVIS-UHFFFAOYSA-N 374.489 2.904 0 50 FFAA CCc1nccn1CCNC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 584897008 HIUSIMMELUGSGF-UHFFFAOYSA-N 354.458 2.514 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@@H](c1cccnc1)N1CCCC1 670444190 RVTCSPPYAWAKDC-OAQYLSRUSA-N 364.493 2.788 0 50 FFAA Cc1nc(-c2ccc(CN3CCCCC3)cc2)n(C[C@H]2COCCO2)n1 670469941 BUDAUYUXTOIOPD-IBGZPJMESA-N 356.470 2.655 0 50 FFAA CN1CC[C@](C)(CN(C)C(=O)c2coc(COc3cccc(F)c3)n2)C1 67872869 PATFUHKTIJUTPS-IBGZPJMESA-N 361.417 2.807 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3CN2C)s1 952989588 NQKNSCMGVPBQMR-MRXNPFEDSA-N 350.509 2.734 0 50 FFAA O=C(NCCNC(=O)[C@H]1CCCc2cccnc21)c1ccccc1Cl 170614958 RFZLYCSQPNJCEU-HNNXBMFYSA-N 357.841 2.701 0 50 FFAA Clc1ccccc1[C@H](CN[C@H]1CCN2CCC[C@@H]2C1)N1CCOCC1 166066988 XFCFIISPYICRJF-QKLQHJQFSA-N 363.933 2.930 0 50 FFAA CC(C)C1(C)CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 275188959 AFDCMHJLNSQZBD-HXUWFJFHSA-N 357.454 2.640 0 50 FFAA Cc1nc(C)c(NC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)s1 275604684 UKEOEHMZWFUZGI-NSHDSACASA-N 351.432 2.872 0 50 FFAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(F)cc(Br)c2)C1(C)C 191766516 IPJLNDFFLFPHBM-CZUORRHYSA-N 374.250 2.884 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 194219628 XZFJZYJQOCWVJG-FQEVSTJZSA-N 358.482 2.849 0 50 FFAA Cn1nc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)c2c(Cl)cccc21 1529182066 UGCJCUGREBKICB-FZKQIMNGSA-N 356.857 2.657 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)CCN12 1529134118 VGDYGDAMYOAWNS-DLBZAZTESA-N 360.502 2.783 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCC2(C(C)C)CC2)[C@H]1c1ccccc1 1529197221 LZIBXVVZGBESNW-MOPGFXCFSA-N 358.482 2.916 0 50 FFAA Cc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1 1529197232 MGYUMIDHONRMAV-UHFFFAOYSA-N 352.482 2.527 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cnc4ccccc4n3)C1)CC2 1704299823 TXLNKJMFJDSLCJ-NRFANRHFSA-N 360.465 2.970 0 50 FFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 1848444001 BLOQVCGQDNNYAB-HKUYNNGSSA-N 371.389 2.664 0 50 FFAA Cc1noc(CN2CCCN(C(=O)c3ccc(OC(C)C)cc3)CC2)n1 1772706690 UQQNSOWPORHTRE-UHFFFAOYSA-N 358.442 2.513 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccc(Cl)c(C)c3)CC2)nc(N)n1 1772811764 YKAKHDJLECEMEM-UHFFFAOYSA-N 359.861 2.682 0 50 FFAA O=C(Cc1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697950 PVYGSFYYSKVUQP-UHFFFAOYSA-N 374.448 2.507 0 50 FFAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCc2ccccc2C1 12298661 PCWICIYFBREHDD-UHFFFAOYSA-N 354.360 2.803 0 50 FFAA O=C1C[C@H](C(=O)N2CCCC2)CN1CCc1c[nH]c2ccc(Cl)cc12 12862571 LFNDIWQMTNVDFY-AWEZNQCLSA-N 359.857 2.835 0 50 FFAA CCn1c(C(=O)OC)c(NC(=O)[C@@H]2CCOC2)c2cc(NC(C)C)cnc21 14740512 KJXCYGGJOQTJOL-GFCCVEGCSA-N 374.441 2.638 0 50 FFAA Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c1C 16648358 ZIVMWARWIMPXBI-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(-c3ccccc3)n[nH]c2C)on1 1857717587 ZTHBMPDZNQEEES-WBVHZDCISA-N 366.421 2.669 0 50 FFAA O=C(Cc1ccccc1O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857734283 OLSDSBWGEWNMCE-DYESRHJHSA-N 362.429 2.545 0 50 FFAA O=C1C[C@H](Nc2nc(O)c3ccccc3n2)CN1c1c(F)cccc1F 301974893 LAVJVDLVLIWDQI-JTQLQIEISA-N 356.332 2.831 0 50 FFAA CC[C@@H](OC1CCCCC1)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 119726337 IMSDBLKGECUDFF-WMLDXEAASA-N 364.490 2.711 0 50 FFAA CCc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](C(=O)O)C3)s2)cc1 236992891 TXAYKJULHHYHLM-AWEZNQCLSA-N 360.435 2.607 0 50 FFAA Cc1nccn1CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 333722109 IIXMTCCTOXXNGK-NVXWUHKLSA-N 350.825 2.546 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCOc1cccc(Br)c1 237469173 CVOAPDMPJADYCU-OCCSQVGLSA-N 355.276 2.946 0 50 FFAA N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 237864336 XXVKQIDWXQKBPA-XJKCOSOUSA-N 367.287 2.867 0 50 FFAA CCCN1CCC(NC(=O)N2CCN(c3ccccc3F)C[C@@H]2C)CC1 252492171 MFCRTLXTSRBIOT-INIZCTEOSA-N 362.493 2.920 0 50 FFAA Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c(Br)c1 163071850 OAGSQJPRTHVUHS-WDEREUQCSA-N 354.248 2.923 0 50 FFAA COc1ccc(S(=O)(=O)NC2(c3nc(C)cs3)CCC2)cc1F 267087809 UCSKJLLFBQXNIH-UHFFFAOYSA-N 356.444 2.957 0 50 FFAA N[C@@]1(CO)CCCN(C(=O)[C@H](CCc2ccccc2)Cc2ccccc2)C1 1875276660 MQYUYKGHDLVLEA-GGAORHGYSA-N 366.505 2.790 0 50 FFAA CO[C@@H]1C[C@H](C(=O)O)CN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320034 DAPZPPFKXUNYSW-NWDGAFQWSA-N 372.343 2.540 0 50 FFAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCc1ncnn1C(C)(C)C 1875396204 YOGFTTALIVCIMW-GZRFBZBPSA-N 370.501 2.795 0 50 FFAA CN1C(=O)CC[C@H](CN[C@H]2CCc3ccc(F)cc32)[C@H]1c1cnn(C)c1 886026759 YMZLPZARRZBGMW-WNYOCNMUSA-N 356.445 2.746 0 50 FFAA Cn1nccc1-n1nc(C2CCOCC2)nc1-c1cccc2c1COC2 2100541252 XVWJOJQRZZXSRQ-UHFFFAOYSA-N 351.410 2.592 0 50 FFAA Cn1cc(C(=O)NCc2ccc3c(c2)CNC3)c(-c2ccc(F)cc2F)n1 2325749557 IBMIEFSJHCETBP-UHFFFAOYSA-N 368.387 2.899 0 50 FFAA COc1ccc2c(c1OC)C(C)=N[C@H](CCOCC(F)(F)F)C(=O)N2 2325775952 OVCBBPWNXAPBCY-LLVKDONJSA-N 360.332 2.803 0 50 FFAA CS(=O)(=O)CC1(c2noc(-c3ccc4c(c3)CCC[C@@H]4N)n2)CCC1 2325777215 MREBNQKRQSFNAZ-HNNXBMFYSA-N 361.467 2.539 0 50 FFAA COCc1cccc(CC(=O)NC[C@]23CCC[C@@H]2N(C(C)=O)CCC3)c1 2325848623 LMBKGCKBYCLKIL-PZJWPPBQSA-N 358.482 2.673 0 50 FFAA C[C@H]1CCCc2c(-c3nc(C4CCOCC4)nn3[C@@H]3CCOC3)cnn21 2325849418 OZBKMHYAZTYXRH-DZGCQCFKSA-N 357.458 2.894 0 50 FFAA Cc1ncn(Cc2cccc(NC(=O)c3cnn4ccc(CN)cc34)c2)c1C 2325856358 MHTLTQXXHZRKON-UHFFFAOYSA-N 374.448 2.907 0 50 FFAA NC[C@H]1CCN(C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)c2ccccc21 2325859663 FUOSOHGJYJAXAY-LLVKDONJSA-N 369.371 2.899 0 50 FFAA CN(Cc1ccc2nn[nH]c2c1)c1nccc(N2Cc3ccccc3C2)n1 2325874250 FTAMOUWYFIXEMF-UHFFFAOYSA-N 357.421 2.905 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)C2)c(C)cn1 2325875109 GHZPGDGZZDTZPB-UHEFJODHSA-N 355.482 2.808 0 50 FFAA CN1CCn2nc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)cc2C1 880814395 VPJNBJIKDKOCLR-HNNXBMFYSA-N 357.433 2.564 0 50 FFAA C=CC(=O)NCCC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 121861696 CWAAQRLSOYWFNE-JTQLQIEISA-N 361.389 2.560 0 50 FFAA COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC 598852 NOYPYLRCIDNJJB-UHFFFAOYSA-N 369.425 2.741 0 50 FFAA world O=C(O)CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 711293 BWVXIKFLTDGBIN-OAHLLOKOSA-N 369.402 2.957 0 50 FFAA COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)NCc1ccccc1 1058618 FGRBIWXDMKEHBA-SFHVURJKSA-N 367.474 2.804 0 50 FFAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 1118935 MFBHZRAKFPZLLW-UHFFFAOYSA-N 355.803 2.640 0 50 FFAA CCOCCOC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 1745361 XEXWGDXSSCFNAD-SFHVURJKSA-N 371.389 2.658 0 50 FFAA CC1=CC2(CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)OCC1 2356144603 FSIUTXGJTXKGMC-UHFFFAOYSA-N 367.449 2.584 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 4592789 NAASPTLJCZUNCS-HUUCEWRRSA-N 374.462 2.737 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1 6714502 MNWIOIUIJXVBFH-UHFFFAOYSA-N 368.260 2.581 0 50 FFAA CCN(CCOc1ccccc1C)C(=O)CCc1c(C)nc(=O)[nH]c1C 55199792 OVJOPASXHGQRNY-UHFFFAOYSA-N 357.454 2.555 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)s1 55166969 YSLRJLZGBYPUEI-LJQANCHMSA-N 362.470 2.839 0 50 FFAA Cc1cc(C)n(Cc2cccc(-c3noc(C(=O)c4cnn(C)c4)n3)c2)n1 113723858 VKISNGWYVJKJNS-UHFFFAOYSA-N 362.393 2.563 0 50 FFAA Nc1cc(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)ccn1 20601737 MGOKUDSLEGSSID-OAHLLOKOSA-N 365.355 2.766 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2CCN(C)C3(CCN(C)CC3)C2)c1 67770043 WDQZOUCRXDFBIZ-UHFFFAOYSA-N 367.541 2.701 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCC2)nc1 67920519 UCDKYYDFIJHBBX-MRXNPFEDSA-N 353.422 2.594 0 50 FFAA O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCCc1ccccc1 20522175 YSRKRPLVIRPNSX-KPKJPENVSA-N 363.505 2.676 0 50 FFAA CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610328 CUSFBAQJFGHBIS-UHFFFAOYSA-N 372.918 2.797 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 25530045 XLZWNKCRORMXKQ-CYBMUJFWSA-N 369.440 2.983 0 50 FFAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2nccn2c1 68254745 LKLZXEZXGNSPKR-UHFFFAOYSA-N 363.421 2.761 0 50 FFAA COc1ccc(-c2nc(CN3CCC(=O)NC[C@H]3C)c(C)o2)c(OC)c1C 67447381 MLNODAONLQRKAM-GFCCVEGCSA-N 373.453 2.686 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C2CCN(C(=O)c3ccncc3)CC2)C1 67910175 IJCLZDNACXIXCF-JOCHJYFZSA-N 365.477 2.588 0 50 FFAA CCN1CCC[C@H]1CNC1CCN(c2cccc(N3CCCC3=O)c2)CC1 63848145 SDSFSQVXIAUTMG-NRFANRHFSA-N 370.541 2.856 0 50 FFAA CSCc1noc(CNc2nc(-c3ccccc3)nc3c2CCNC3)n1 67641315 MZTOVFAPGIAMIX-UHFFFAOYSA-N 368.466 2.647 0 50 FFAA CN1CCc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3cc2C1 20661160 JRSWPLVJFQQRHP-UHFFFAOYSA-N 366.490 2.839 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c(C)c1 67602003 XRJOJMWCOIHFHO-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA COc1ccc(-c2cnnc(N(C)C[C@@H]3CCN(CC(C)C)C3)n2)cc1 12058627 CTMPIRGSLCLVQQ-INIZCTEOSA-N 355.486 2.961 0 50 FFAA CCN(CC)CCN1C(=O)CC[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]21 12183210 VYBCYAQIYWACJF-CVEARBPZSA-N 363.527 2.543 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(C)C/C=C/c3ccccc3)no2)CC1 67966253 NGWUORDICCUAPV-JXMROGBWSA-N 368.481 2.598 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 794643 XMSLPTJAWDQIRU-SJORKVTESA-N 356.422 2.918 0 50 FFAA CCc1nc2cc(NC(=O)C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)ccc2o1 252514928 FFSPMGZCRPJKBH-JCURWCKSSA-N 371.437 2.601 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 4173450 MOAACRFRNIIRHU-VWYCJHECSA-N 362.451 2.577 0 50 FFAA COc1cccc(CCc2ccccc2C(=O)NC[C@@H]2COCCO2)c1 218814182 ISBYGSPVZILPFC-LJQANCHMSA-N 355.434 2.626 0 50 FFAA O=C(CN[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)N1CCN=C(O)C1 329047128 GBLQUORCWOLJAD-CABCVRRESA-N 369.387 2.730 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNC(=O)CCC2CCCCC2)CC1 39436737 BPJBMTJATVNFMI-UHFFFAOYSA-N 372.513 2.727 0 50 FFAA Oc1nc(NCc2nc(-c3ccc(F)cc3)cs2)nc2c1CCNC2 77338983 AURVKGYUTHLGKF-UHFFFAOYSA-N 357.414 2.703 0 50 FFAA CN1CC2(CCNCC2)C[C@@H]1C(=O)NCc1cc(Cl)ccc1Cl 72430535 IDSAJYGFKKFRGU-OAHLLOKOSA-N 356.297 2.684 0 50 FFAA CCc1cc(NC[C@@H]2CCCN(C(=O)C3CC3)C2)n2nc(C)c(C)c2n1 72429953 GFYPBNOGZFKKPP-HNNXBMFYSA-N 355.486 2.969 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)CCc1ccc(-c3cccs3)o1)C2 219924372 HVMLUBQOMKTAEP-UHFFFAOYSA-N 369.446 2.885 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)cc1 71745912 MDASRCWBAKKIKT-SFHVURJKSA-N 365.433 2.964 0 50 FFAA CN(C)CC[C@@]1(c2ccccc2)C(=O)N(N2CCOCC2)c2ccccc21 71767304 NAMRXNSUQVDQMH-QFIPXVFZSA-N 365.477 2.518 0 50 FFAA Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C)c4c3CCC4)CC2)n1 333541782 LESMCXBGOHUKRT-AWEZNQCLSA-N 354.454 2.694 0 50 FFAA CC(C)(O)CN1CCc2c(cccc2NCc2cnn(CC(F)F)c2)C1 367909683 FCRQCIBEWPHUDM-UHFFFAOYSA-N 364.440 2.889 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)c1nnc2n1CCCCC2 219990542 YBFJLCLSCVGAND-UHFFFAOYSA-N 372.444 2.622 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC3(c4ccccc4)CC3)ccc21 77470432 OGYBSCQDPFGFBQ-UHFFFAOYSA-N 365.433 2.785 0 50 FFAA Cc1[nH]nc(CCC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1C 215318037 JILPBIIUVGZMDT-HNNXBMFYSA-N 355.360 2.828 0 50 FFAA CCCCN1C[C@]2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O 77298401 NTZQBEFKRWKWEX-HXUWFJFHSA-N 362.470 2.653 0 50 FFAA C[C@@H]1CCCN1Cc1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 72158790 RCAUAFQMJGBABN-MRXNPFEDSA-N 358.461 2.901 0 50 FFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@H](CC(N)=O)C2)cc1 377195296 HJLSBZREPWUTCH-CQSZACIVSA-N 353.422 2.776 0 50 FFAA COc1cccc(CC2(C(=O)O)CCN(c3ncnc4[nH]ccc34)CC2)c1 71765137 ZXEDJILHJITPGO-UHFFFAOYSA-N 366.421 2.880 0 50 FFAA CC(C)n1cc([C@@H]2CN(Cc3ccc(-c4ccn[nH]4)o3)C[C@H]2CO)cn1 284566267 IVNLSJHFPRZQCT-RDJZCZTQSA-N 355.442 2.655 0 50 FFAA O=C(COc1cccc(F)c1)N1CCN(c2cccc(Cl)c2)C(=O)C1 82120416 ZWMVMZHYYFSNKO-UHFFFAOYSA-N 362.788 2.733 0 50 FFAA Cc1nc(CCNC(=O)CCc2nc3ccccc3[nH]2)nc2c1CCCC2 221405361 GIBCDPOMRQFUTA-UHFFFAOYSA-N 363.465 2.832 0 50 FFAA CN(C)C(=O)NCc1cc2n(n1)CCN(Cc1ccc3ccccc3c1)C2 82097795 IWWYKGGKPOMZTF-UHFFFAOYSA-N 363.465 2.823 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)NC(C)(C)CO)csc3C2)nc1 426584029 NGMYWBJCZDJSMV-UHFFFAOYSA-N 373.522 2.765 0 50 FFAA CCCc1cnc(N2CCN(Cc3cc(F)c(O)c(OC)c3)CC2)nc1 199359482 GYBGCVYHHLMHDB-UHFFFAOYSA-N 360.433 2.605 0 50 FFAA O=C([C@@H]1CCCN1C(=O)CCCc1ccc(Cl)cc1)N1CCOCC1 40662758 ZKPKQUXIFYRJNB-KRWDZBQOSA-N 364.873 2.513 0 50 FFAA Cc1cc(C(=O)N2CCn3nc([C@@H](C)O)cc3C2)c2ccc(F)cc2n1 220279460 QVLPHCFXROZHCG-GFCCVEGCSA-N 354.385 2.588 0 50 FFAA CCc1cc(CN(C)C(=O)c2ccc(-c3nccnc3OC)cc2)on1 426620037 MQFMOERGYBOQNC-UHFFFAOYSA-N 352.394 2.975 0 50 FFAA Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc(Br)c1 227156424 WJLFPBXKSCTJNE-UHFFFAOYSA-N 372.288 2.620 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCN1 177841285 RSRVUWPFYVQWBC-MRXNPFEDSA-N 356.397 2.547 0 50 FFAA CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(O)c(F)c(F)c2)cc1 426544630 CZOCGVXXAAMRJS-SFHVURJKSA-N 374.387 2.934 0 50 FFAA Cc1cccc(Cn2nc(C)cc2NC(=O)NCCn2nc(C)nc2C)c1 97772752 NOUMECSBCMSFLE-UHFFFAOYSA-N 367.457 2.578 0 50 FFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3CC3)C2)c(OC)c1 95515378 IEAWQTNRKURRJB-OAHLLOKOSA-N 374.481 2.749 0 50 FFAA O=C(Cn1ccc2ccccc21)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91255469 HDLQNQZHRJEZQV-JOCHJYFZSA-N 365.477 2.892 0 50 FFAA CCc1c(C)nn(CC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1C 91270417 LMGIAKYAOMKDLC-IBGZPJMESA-N 355.482 2.646 0 50 FFAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 426431038 JWLZTPYDODZQSJ-KRWDZBQOSA-N 365.437 2.533 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCC[C@H](OCc2ccccn2)C1 91605012 JGALVHWNTRJPHQ-INIZCTEOSA-N 362.376 2.946 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c(C)c1 95359572 QNRVNFSAVPVOHF-FQEVSTJZSA-N 369.465 2.732 0 50 FFAA CC(C)c1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)nc2ncnn12 91915230 SBMRHUNYRKSFLU-CYBMUJFWSA-N 364.331 2.676 0 50 FFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)C1 97797271 PLUMKZCKALLUSJ-NWDGAFQWSA-N 354.809 2.629 0 50 FFAA C[C@H]1CN(C)CCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97635003 HHDJORADBKQHPP-INIZCTEOSA-N 369.465 2.738 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(Cc1ccccn1)C2)NC1CCCC1 91770340 UIYRBAMYFDAIPY-UHFFFAOYSA-N 367.497 2.675 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)c1 97655334 TZSNMRTVLBEJEX-OAHLLOKOSA-N 356.430 2.540 0 50 FFAA O=C(O)[C@@H](c1ccc(N2CCCCC2)nc1)N1CCC(N2CCCC2)CC1 95384036 QKCOHNATUDAFDU-HXUWFJFHSA-N 372.513 2.758 0 50 FFAA CCc1cnc(C)nc1N1CCC2(CCC(=O)N(CCCOC)C2)CC1 91427228 LZXRFSLTCBDUKX-UHFFFAOYSA-N 360.502 2.593 0 50 FFAA CCCCSc1nc(N)cc(N2CCC3(CCC(=O)N(C)C3)CC2)n1 95387850 VBWQMRDXFPBDED-UHFFFAOYSA-N 363.531 2.790 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCOCC1 180032427 HPNYGNIDUUGFIH-CYBMUJFWSA-N 356.451 2.845 0 50 FFAA CN1CCN(c2cccc(NC(=O)N3CCC(c4cc[nH]n4)CC3)c2)C1=O 95511260 WSGLHYXSXARCCY-UHFFFAOYSA-N 368.441 2.693 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(C)C)nc(N)n1)C2 92038311 UGBMMPKOOHYHFZ-HZPDHXFCSA-N 357.502 2.685 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4cscn4)C3)CCC2=O)cn1 92081752 BJTVDPZHRCHVRK-LJQANCHMSA-N 371.510 2.646 0 50 FFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2nccs2)CC1 245325270 DSATXTZUYNQAMI-JOCQHMNTSA-N 369.450 2.693 0 50 FFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)ncn1 252553147 VGKYRZVEOWBYJU-BJHJDKERSA-N 357.845 2.924 0 50 FFAA Cn1ccnc1CNC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 296437961 OCRQEUBIVLXCJD-UHFFFAOYSA-N 373.404 2.985 0 50 FFAA O=C(CN1CCOc2ccccc2C1)NC1CCN(c2ccccc2)CC1 299761662 YKTSLZGBQKOKOR-UHFFFAOYSA-N 365.477 2.666 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)NC1CCN(Cc2cccnc2)CC1 299763629 POZBDNJUQYYEPB-UHFFFAOYSA-N 359.857 2.764 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1conc1-c1ccccc1 828207904 BYAMZOVFCMXGNO-HNNXBMFYSA-N 365.389 2.969 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@H](c3ccccc3)O[C@@H]21 44169380 VGLOFWHLPMVSBF-IFBUNOGVSA-N 370.401 2.955 0 50 FFAA in-vitro C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CNC(=O)c2ccccc2)cc1 952863661 VKPGVLPAGIOJAU-CQSZACIVSA-N 351.406 2.570 0 50 FFAA CCc1cccc(OCCN(C)S(=O)(=O)N(C)Cc2ccccc2)c1 952990051 FGQRRYBLZIABSU-UHFFFAOYSA-N 362.495 2.936 0 50 FFAA O=c1oc2ccccc2n1CCN1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 1565530648 VDOLCMXJUKBAIO-AEFFLSMTSA-N 356.397 2.584 0 50 FFAA CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCCCC(C)(C)C2)cc1 408440903 AWDKPHMMNIKEBN-CQSZACIVSA-N 367.515 2.877 0 50 FFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(O)nc3ccccc3c1C)CC2 170020939 QSJHKRPCJBOMOC-SJORKVTESA-N 370.449 2.641 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 279630688 DAWOAQMFEJGSSA-MFKMUULPSA-N 352.312 2.754 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)CCc2ccncc2)CC1 276044851 SIZYQNIAROSQRU-FQEVSTJZSA-N 352.482 2.922 0 50 FFAA CCc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(OC)c3)CC2)n[nH]1 191556879 WZLDRZOJTIDPRI-IAGOWNOFSA-N 354.454 2.885 0 50 FFAA O=C(CC1=CCNCC1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210186841 XBVMAAUMOSPOQM-RTWAWAEBSA-N 350.462 2.826 0 50 FFAA CCn1cc(CN2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)cn1 1704337026 QLJWGHTYBJNPHL-UHFFFAOYSA-N 371.481 2.984 0 50 FFAA COc1cc(-c2onc(N3CCN(C(C)C)CC3)c2C(=O)O)ccc1F 1704315563 KMWUXIYQFCUMQQ-UHFFFAOYSA-N 363.389 2.718 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)c2csc(-c3ccccc3)n2)C[C@H]1O 1704309223 LCLJKHHMFCSTQD-VQIMIIECSA-N 360.479 2.796 0 50 FFAA CC1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 11934945 AWBLJZMWENOPDX-IBGZPJMESA-N 352.425 2.550 0 50 FFAA CC[C@@H](C)NC(=O)CC[C@@]1(Cc2ccc(OC)c(OC)c2)CCC(=O)N1 12040365 ZYBJHKPHXWNRNJ-VLIAUNLRSA-N 362.470 2.590 0 50 FFAA O=C(NC[C@H]1CCCCO1)c1coc(COc2cccc(F)c2F)n1 12589981 WTWFHSZYZNAANC-LLVKDONJSA-N 352.337 2.831 0 50 FFAA O=C(c1ccncc1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 14965742 AIDIAKNVMVZQMU-OAQYLSRUSA-N 367.424 2.876 0 50 FFAA CCCc1nnc(N2CCN(CCOc3cccc(OC)c3)CC2)s1 152650749 NJMUSOZQZXJAFY-UHFFFAOYSA-N 362.499 2.700 0 50 FFAA COc1ccc(-c2nc(CNC(=O)c3n[nH]c4c3CCC4)c(C)o2)cc1O 1857679437 LRVJGYDNZOFRNS-UHFFFAOYSA-N 368.393 2.506 0 50 FFAA COc1ccccc1-c1nc(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c(C)o1 1857734652 YYRNOHRNEHHIJN-VXIWKAIFSA-N 370.449 2.630 0 50 FFAA CCCc1nc(C(=O)N2CC[C@@H](n3cccn3)C2)nn1-c1ccccc1F 328594045 KWTVOSXJZGUTBL-CQSZACIVSA-N 368.416 2.643 0 50 FFAA COC1CCC(CC(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)CC1 328611538 LYVPPALGUNTCEQ-YMAMQOFZSA-N 351.447 2.688 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2=O)c1 237941849 SYRVUPCVJSRDLK-KRWDZBQOSA-N 358.438 2.669 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 248257240 VAEYYEVLOMSQCX-UMCUTINXSA-N 356.422 2.676 0 50 FFAA C[C@@H]1CCCCN1S(=O)(=O)NCCc1coc(-c2ccc(F)cc2)n1 263683489 NGMJDRSEDQMMJP-CYBMUJFWSA-N 367.446 2.732 0 50 FFAA CCCc1cc(C(=O)NC[C@@H](O)c2cccc(Br)c2)n[nH]1 802319646 MTYGYBDGJVFFIW-CQSZACIVSA-N 352.232 2.588 0 50 FFAA O=C([C@H]1CCc2nncn2CC1)N1CCc2ccccc2[C@H]1c1cccnc1 1875298179 QOIOTMXMPUKHHP-LAUBAEHRSA-N 373.460 2.800 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N=c1[nH]c2c(F)cccc2n1C 1875331294 CRHBCNARFBSKDV-QWHCGFSZSA-N 352.413 2.913 0 50 FFAA C=CC(=O)N(Cc1c(Br)nnn1C)[C@@H]1CCCc2occc21 1875384407 OKFKZSDQWMFREF-LLVKDONJSA-N 365.231 2.763 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1nccc(-c2ccccc2F)n1 1875398836 GQWWRXNURIIROV-FSPWUOQZSA-N 353.401 2.731 0 50 FFAA CC1(C(=O)NC[C@H]2C[C@]3(CCN(c4nc5ccccc5o4)C3)CO2)CC1 1875405197 ZLZWQECDSUXEPL-VLIAUNLRSA-N 355.438 2.730 0 50 FFAA O=C(Cc1cccc2cnccc12)Nc1cccnc1OC1CCNCC1 2325823720 BOAHEWGVAYJRKF-UHFFFAOYSA-N 362.433 2.942 0 50 FFAA CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccn2nccc2n1 2325839997 LGLHRYXWZAQKQW-ZDUSSCGKSA-N 367.236 2.912 0 50 FFAA COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O 754305 SDMYZAFOXJKZSN-WMLDXEAASA-N 368.389 2.579 0 50 FFAA biogenic CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(O)cc2)NC(=O)N1 1177212 AIBZJVQFIJAEEG-MRXNPFEDSA-N 359.332 2.937 0 50 FFAA C[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 4038824 UYQZNIHSOJSJEF-SNVBAGLBSA-N 351.387 2.920 0 50 FFAA CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 4321881 WRWKLZMOFAMVPZ-IMJJTQAJSA-N 364.442 2.553 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 4503082 GNWZWDQSNFZRMM-ZDUSSCGKSA-N 355.369 2.776 0 50 FFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cnc2sccn2c1=O 54033923 QEVFSEODXZGTNR-AWEZNQCLSA-N 371.418 2.566 0 50 FFAA COc1cccc(OC)c1CN1CCN(CCC(C)C)[C@H](CCO)C1 104336751 IIHUEOOJGLLJDR-QGZVFWFLSA-N 350.503 2.619 0 50 FFAA COc1cccc(CN2CCC[C@H]2c2nonc2C)c1OCCN(C)C 55568939 OIXHCJDDQJRHFO-INIZCTEOSA-N 360.458 2.664 0 50 FFAA COc1cccc(CN(C)Cc2n[nH]c3c2CCCC3)c1OCCN(C)C 55100001 LFQJJGMGSKGUKV-UHFFFAOYSA-N 372.513 2.870 0 50 FFAA CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1 65363948 RZACZLGBFFMMIF-SJORKVTESA-N 352.500 2.624 0 50 FFAA Cc1cc(NC(=O)CN2CCc3onc(-c4cccc(F)c4)c3C2)no1 67784605 WWINMPQEWKCLBJ-UHFFFAOYSA-N 356.357 2.774 0 50 FFAA CCn1cc(-c2c(-c3ccccc3)ncn2CCc2cc(=O)[nH]cn2)cn1 65528230 VKJLORIYVPNUNP-UHFFFAOYSA-N 360.421 2.760 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)N3CCCC[C@H]3CCO)cc2)C[C@@H](C)O1 248739810 AJILTCAKKNUJJW-QKLQHJQFSA-N 360.498 2.673 0 50 FFAA FC(F)(F)CN1CCOC[C@H]1c1nc(-c2n[nH]c3ccccc23)no1 351225203 YSUWGZMEJKBQKA-NSHDSACASA-N 353.304 2.549 0 50 FFAA Cc1ccccc1-n1c(SCC(=O)O)nnc1[C@@H](O)c1ccccc1 65461878 GQEYRFXCBBIONR-INIZCTEOSA-N 355.419 2.834 0 50 FFAA Cn1cnc2cc(C(=O)N3CCCN(C(=O)c4ccsc4)CC3)ccc21 124705929 RZVFLNOQUGVRHT-UHFFFAOYSA-N 368.462 2.623 0 50 FFAA CCN1CN(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)CC1=O 252492653 MROBJPCBPRHZQR-UHFFFAOYSA-N 355.398 2.576 0 50 FFAA Cc1cc(F)ccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72478809 RFJDKRULVCXCOY-SFHVURJKSA-N 374.456 2.812 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179530 JLTLXEFNRIBPCX-APTSRADASA-N 354.450 2.511 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)CCO2)c1 151523026 ONXFHKVSFIIWIN-DOTOQJQBSA-N 360.433 2.811 0 50 FFAA CCO[C@@H]1C[C@@H](OC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C12CCC2 241231281 KTQDLQCZTFRROJ-RCCFBDPRSA-N 372.465 2.825 0 50 FFAA CCN(CC)c1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1 219320458 SYAZHWYWJLSPGK-IYWMVGAKSA-N 357.498 2.514 0 50 FFAA O=C(O)c1cccc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 262662870 UVAZPWKGTMRCMW-HNNXBMFYSA-N 358.369 2.740 0 50 FFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)n1 448657227 QEHLCWFTEAAZQR-JTQLQIEISA-N 370.356 2.800 0 50 FFAA COc1cc(CC(=O)NCc2ccc(OC)c(OC(F)F)c2)ccc1O 448701714 QCFBNWXHPMZFTM-UHFFFAOYSA-N 367.348 2.870 0 50 FFAA O=C(C1CCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72162257 KSYKBSCDMQGILA-PWIZWCRZSA-N 354.450 2.604 0 50 FFAA O=C(c1ccc(CO)o1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72164218 ABOUTZPIZAOTSP-DFQSSKMNSA-N 370.424 2.613 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)[nH]n1 77421309 KEPXGSGOHZBJKX-FQEVSTJZSA-N 360.502 2.863 0 50 FFAA Cc1cn2cc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc2n1 220298376 QERKCWRGBRKUFQ-SFHVURJKSA-N 350.422 2.859 0 50 FFAA COc1cc2c(cc1CN1CCCn3nc([C@@H](C)O)cc3C1)OCCCO2 221244795 LFGMBTQHLYQPEA-CQSZACIVSA-N 373.453 2.512 0 50 FFAA O=C(Nc1cc(C(=O)N2CCO[C@H](c3ccccc3F)C2)ccn1)C1CC1 285476582 ZYHVQHQYLISOKF-KRWDZBQOSA-N 369.396 2.783 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CSCc1ccccc1Cl)C2 220289254 RLPNGHBCOHUGRZ-GFCCVEGCSA-N 365.886 2.865 0 50 FFAA Cc1ccc(OCc2occc2C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1 221438729 MZHBRGZUMJSEMH-FQEVSTJZSA-N 370.405 2.834 0 50 FFAA COc1ccccc1CN(C(=O)Cn1nccc1[C@H]1CCCNC1)C1CC1 426582889 UNXNTEPWYOJOMU-INIZCTEOSA-N 368.481 2.550 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c(O)n1 292215140 CZINRGPOBPZOEP-KRWDZBQOSA-N 366.465 2.751 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2=O)c1 82109360 KWTGHLKGIUHSIU-HXUWFJFHSA-N 364.445 2.596 0 50 FFAA CSc1ccc(CN2CC[C@H]3CN(C(=O)CCn4cccn4)C[C@H]32)cc1 82091202 HQQVMJLUWUODTH-PKOBYXMFSA-N 370.522 2.728 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)NCc1csc(-c2cnccn2)n1 220513040 UMYXGJSSIGVFNJ-UHFFFAOYSA-N 368.418 2.578 0 50 FFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(C(C)C)cc2)CN1C(C)C 20601264 GTPUSLRBLJJJLY-PMACEKPBSA-N 361.530 2.514 0 50 FFAA Cc1cc(C)c2c(NC[C@@H](c3cccnc3)N3CCOCC3)ncnc2n1 95378107 XUZFJYJRRWMZOS-KRWDZBQOSA-N 364.453 2.522 0 50 FFAA C[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccc(S(C)(=O)=O)cc1 91663651 KUUCRTPTPJGXSB-LBPRGKRZSA-N 374.437 2.922 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)cs1 95354914 LJVASJQVSXBZBJ-CQSZACIVSA-N 361.515 2.677 0 50 FFAA c1ccc(-c2nnc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)o2)cc1 95377831 AFAPXJVMJGLOFB-QFBILLFUSA-N 368.481 2.812 0 50 FFAA CCc1nnc(N2CCN(c3nc(C(C)C)cc(C(F)(F)F)n3)CC2)o1 95373087 VJFBXPYYSCAIAN-UHFFFAOYSA-N 370.379 2.891 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1cc(COC)[nH]n1 95362708 GBFQEOXGYSVPIC-MRXNPFEDSA-N 355.442 2.736 0 50 FFAA Cc1ncsc1CCN(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91441540 PPCNEPXNUDJJKM-UHFFFAOYSA-N 363.527 2.881 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95517441 YFKMQSPOZCHTTB-CYBMUJFWSA-N 371.441 2.942 0 50 FFAA C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239174367 PXIGYTHFAQBCSW-QWYTWNTPSA-N 370.836 2.720 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 181057679 QDWFOKVOEJLFLD-SUMWQHHRSA-N 372.396 2.797 0 50 FFAA Cc1ccc2[nH]c(CN3CCN(C4CCSCC4)CC3)cc(=O)c2c1 91745923 QRECDSBTULTZDS-UHFFFAOYSA-N 357.523 2.850 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(Cl)cc1O)C2 95374153 MPCZYRTUIFPMBK-DZGCQCFKSA-N 374.872 2.814 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)C[C@H]2C)cc1 239259383 ZCYMVDQSLCSQSO-AKKLJKOSSA-N 356.466 2.779 0 50 FFAA CC(=O)N1CCC[C@@H](Cn2cc(-c3ccc(-c4cc[nH]n4)s3)nn2)C1 91327046 UCZBHPDRJCUAFQ-CYBMUJFWSA-N 356.455 2.655 0 50 FFAA Cc1nc(CCNC(=O)c2cnc(-c3cccs3)nc2O)sc1C 91487016 UCBGUSJAFHSMDH-UHFFFAOYSA-N 360.464 2.957 0 50 FFAA Cc1nc(CC2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)no1 244763842 OWJYDZDFBPNYOE-HNNXBMFYSA-N 356.470 2.900 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cnc(O)c(Cl)c2)C1 253537080 WTMLQLSGFCNKOY-AWEZNQCLSA-N 359.857 2.968 0 50 FFAA CN(C(=O)c1cc(C(=O)O)co1)[C@@H]1CCN(c2ccccc2Cl)C1=O 183789618 UQUMCQTXHARKOI-CYBMUJFWSA-N 362.769 2.509 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N(C)CC2(CO)CCOCC2)c1 91943423 ZVIHOGNFBVPAGL-UHFFFAOYSA-N 351.512 2.784 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)Nc1cc(-c2ccccc2)nn1C 299801065 YCPZBYOUOXHQJO-ZDUSSCGKSA-N 353.430 2.971 0 50 FFAA O=C(O)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 630433846 XHFGNGTYQUMYMR-MGCOHNPYSA-N 367.345 2.507 0 50 FFAA O=C1N[C@@H](CC(=O)N2CCC3(CC2)CNc2ccccc23)c2ccccc21 299774349 HEEHVLVVLDGAOE-IBGZPJMESA-N 361.445 2.847 0 50 FFAA CCOCCOc1cccc(NC(=O)N2CCN(c3cccnc3)CC2)c1 299764205 YAYGDNJIOAOYAM-UHFFFAOYSA-N 370.453 2.851 0 50 FFAA COc1cccc(SCC(=O)N2CCC(N3CCSCC3)CC2)c1 824787714 GVCFZXAQPFEZQQ-UHFFFAOYSA-N 366.552 2.827 0 50 FFAA Cc1ccsc1CN(C(=O)NCc1nc(-c2cnccn2)n[nH]1)C1CC1 670450453 XXAPZFGMPARMDW-UHFFFAOYSA-N 369.454 2.506 0 50 FFAA O=C(c1cccnc1)N1CCC(NCC[C@H]2COc3ccccc3O2)CC1 952981669 VDTHPZJEAHJXGN-SFHVURJKSA-N 367.449 2.506 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn(C)n3)cc2)c(C)c1 952860356 NAVASZVGVMOOEC-UHFFFAOYSA-N 364.409 2.786 0 50 FFAA Cc1ncnc(N2CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)c1C 952972584 VLUXNMJDXBIKDP-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA Cn1ccc2ccc(C(=O)N[C@H]3COCC[C@@H]3Oc3ccccn3)cc21 1565516783 NMYVSANLIADBMQ-WMZOPIPTSA-N 351.406 2.540 0 50 FFAA O=C(/C=C/c1ccccc1Br)N[C@@H](CO)Cc1ccncc1 170610154 ZAEHIRYWNORTRL-LLYBFZRZSA-N 361.239 2.577 0 50 FFAA NC(=O)CCN(C(=O)c1cc(=O)c2cc(Cl)ccc2o1)c1ccccc1 170613764 SBJAFMATGAHOAH-UHFFFAOYSA-N 370.792 2.969 0 50 FFAA CCNCC1CCN(C(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 170677205 GTHAGEUVIZKSGJ-GOSISDBHSA-N 372.575 2.607 0 50 FFAA COc1cn(-c2ccccc2)nc1C(=O)NCc1cn2cccc(C)c2n1 170623957 CMKYUYFJNXRHJM-UHFFFAOYSA-N 361.405 2.767 0 50 FFAA Cc1nc(NC[C@H]2CCN(CCc3ccccc3)C2)c2cnn(C)c2n1 171367663 VHJLSACRKMUOPR-QGZVFWFLSA-N 350.470 2.648 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@@H]1CCCc2c(O)cccc21 191021753 NTBALCNRQYEZKM-MRXNPFEDSA-N 352.438 2.932 0 50 FFAA Cn1cc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c2cc(F)ccc21 797748684 QWKDKHVCSIAWTF-DNVCBOLYSA-N 356.397 2.532 0 50 FFAA Cc1ccn2c(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)nnc2n1 1506400425 MWEACGMHSAJGFY-UHFFFAOYSA-N 361.409 2.547 0 50 FFAA Cn1ccc2c(C(=O)N3CCCN(C[C@@H]4CCCOC4)CC3)cccc21 1529180225 DXRWIMGGEZUDBV-KRWDZBQOSA-N 355.482 2.753 0 50 FFAA O=C([C@H]1CC12CCCC2)N1CCCN(Cc2ccccc2OCCO)CC1 1772814364 VELFQLDEKKUSFP-LJQANCHMSA-N 372.509 2.672 0 50 FFAA Cc1c([C@H](C)NC(=O)Cc2ccc3c(c2)OCO3)cnn1-c1ccccn1 11667793 HJMVPUAEVUDPOT-ZDUSSCGKSA-N 364.405 2.724 0 50 FFAA c1ccc(-c2noc(CN3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 11844148 RWCSKAMIARBOJR-GOSISDBHSA-N 356.470 2.813 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)C1CCCC1 12202259 BEALELICDLDPGM-GOSISDBHSA-N 352.438 2.992 0 50 FFAA CCCN(CC1CC1)C(=O)c1cc(-c2ccncc2)cc(-n2cnnn2)c1 12210527 ZUDUUFNXMXJFTR-UHFFFAOYSA-N 362.437 2.987 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)CCn2cncn2)c(F)c1F 12308908 ADASUHAICRODSM-UHFFFAOYSA-N 373.363 2.759 0 50 FFAA Cc1nnsc1C(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 12708739 SJAZRAGXAMISTO-LLVKDONJSA-N 359.480 2.855 0 50 FFAA CCc1noc(C)c1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 12760891 WEIOZELIFAPBKR-HXUWFJFHSA-N 359.470 2.800 0 50 FFAA O[C@@H]1CCCN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)C1 14950192 QRONTCKASQDEBB-MRXNPFEDSA-N 354.385 2.823 0 50 FFAA CCCCN(C)C(=O)Cn1c([C@H]2CCCN2C(C)=O)nc2ccccc21 15922112 ULDMWIDHZODFLE-GOSISDBHSA-N 356.470 2.978 0 50 FFAA CCOc1cc(C(=O)NC2CCN(C)CC2)cc(OCC)c1OCC 16604390 HMXITIHIIXOLSW-UHFFFAOYSA-N 350.459 2.707 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(CCOc3ccc(C)cc3C)C[C@]23CC[C@H]1O3 1857716626 DVJLHMGNPCDCNU-XHYAQGIWSA-N 372.509 2.688 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)[C@@H](C)n3cncn3)s2)c(C)c1 1875249472 VFEPMNNNEXXUQT-GFCCVEGCSA-N 358.427 2.525 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)ccc2O1 328864884 WFYJHYURISLDSG-HKUYNNGSSA-N 363.479 2.732 0 50 FFAA C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCc2cc(-c3ccccc3)ccc21 331391234 QBSDQIFZRBCKKV-CQSZACIVSA-N 358.463 2.523 0 50 FFAA Cc1cc(-n2cccn2)ccc1NC(=O)c1cc([C@H]2CCCN2C)[nH]n1 825145624 BOWUMIVIKAMMND-GOSISDBHSA-N 350.426 2.923 0 50 FFAA Cc1csc2c(N3CCC4(CC3)C[C@H]4NC(=O)C(F)F)ncnc12 952894146 MIWGZTYYQFTQNV-SNVBAGLBSA-N 352.410 2.740 0 50 FFAA COc1cc(-n2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)n2)ccc1F 1875333154 FGIIODCGLYIXPJ-QGZVFWFLSA-N 369.352 2.576 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H]2CC[C@@H](C1)[C@H](C(=O)O)C2 1875306287 ZIVMYTSANXFEBS-XYJFISCASA-N 361.486 2.658 0 50 FFAA COc1ccc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(Cl)c1 888097770 OIZBFGBHEFIWMZ-YRXWBPOGSA-N 352.906 2.918 0 50 FFAA FC(F)c1ccc(Br)c(N2CCN(Cc3ncc[nH]3)CC2)n1 2325780433 FHZDLFFPOUISHL-UHFFFAOYSA-N 372.217 2.827 0 50 FFAA NCc1cc(C(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)n[nH]1 2325858395 LMJXWUWIZLMOQX-UHFFFAOYSA-N 373.869 2.844 0 50 FFAA C=Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3cnc(C)[nH]3)C[C@H]2C)cc1 2325870337 SWNJNRMADVAOEE-KGLIPLIRSA-N 352.438 2.736 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)n3)C2=O)cc1 921863 DMJQWIMLNPOFCL-HNNXBMFYSA-N 357.435 2.916 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 982699 LQWKMHHYJWTLOQ-CQSZACIVSA-N 363.435 2.668 0 50 FFAA C[C@@H](C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1116617 COQLWKQKSTWJEI-LBPRGKRZSA-N 358.891 2.943 0 50 FFAA Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1 1164292 MCMBLZTUZZGZPD-UHFFFAOYSA-N 358.463 2.710 0 50 FFAA O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1194191 UXVOFBZILIEFNM-LLVKDONJSA-N 363.211 2.711 0 50 FFAA O=C([C@H]1CCCOC1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356153521 KNZFGPWZSOFEKN-HNNXBMFYSA-N 354.450 2.985 0 50 FFAA CC1(C)NC(c2c(F)c(F)c(F)c(F)c2F)=[N+]([O-])[C@@]1(O)c1ccccc1 2865160 WZBYRFUKDKNFRS-QGZVFWFLSA-N 372.293 2.866 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cccs2)CC1 7124552 DRWCENZOZNFZRC-UHFFFAOYSA-N 372.446 2.645 0 50 FFAA CCN1C(=O)N(c2ccc(C(=O)OC)cc2)C(=O)[C@@H]1Cc1ccccc1 225559418 GKCDJCOUMFRWPK-KRWDZBQOSA-N 352.390 2.873 0 50 FFAA Cc1nnc(CNC2CCN(c3ccc(N4C(=O)CC[C@H]4C)cc3)CC2)o1 20535844 UCEYCCWWJYSDSX-CQSZACIVSA-N 369.469 2.652 0 50 FFAA COc1cccc2c1OC[C@@H](NS(=O)(=O)c1cc(C)sc1C)C2 102935105 DSMKKJQBRAGECH-ZDUSSCGKSA-N 353.465 2.656 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2ccccc2F)[C@@H](CCO)C1 106977608 BKXBYIQTZVFTBI-SFHVURJKSA-N 358.461 2.560 0 50 FFAA CN1C(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nn3C)cc2C1=O 170622216 FFSYFPVJEUKGSK-UHFFFAOYSA-N 366.402 2.627 0 50 FFAA COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnnn1C 10157756 CIZLFNRSMSCHTO-UHFFFAOYSA-N 359.455 2.540 0 50 FFAA C[C@H](NCC(=O)Nc1nc(C(C)(C)C)cs1)c1cn2ncsc2n1 65396216 SXRFRRWKXSPBKR-VIFPVBQESA-N 364.500 2.834 0 50 FFAA Cc1c(-c2nccn2[C@@H](C)c2ccncn2)c(=O)n(-c2ccccc2)n1C 67921868 SBRBPKZEEZQEQC-AWEZNQCLSA-N 360.421 2.747 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[C@H](O)[C@@H](O)C1 67856653 WQTNCFYPNVJCGZ-GJZGRUSLSA-N 356.344 2.596 0 50 FFAA COC(=O)c1nc(NC(=O)[C@@H](CCSC)n2cccc2)sc1C 170625670 ZDBHOQGIQRAHBZ-LLVKDONJSA-N 353.469 2.973 0 50 FFAA Cc1ccccc1NC(=O)NCCNc1cc(-n2ccnc2C)ncn1 67603724 XHMOBZOQQAXVII-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H](N4CCOCC4)C3)c2)n1 20783985 RSSHGNWIDQMDPL-NRFANRHFSA-N 354.498 2.786 0 50 FFAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2c(s1)CCCC2 23008965 NZMUEHYDMWKTCW-UHFFFAOYSA-N 370.522 2.778 0 50 FFAA CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2 20848965 JFWQIYABICLKML-UHFFFAOYSA-N 363.845 2.986 0 50 FFAA Cc1ncc(CN2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1C 20601770 YYSVUOUITRGSKN-FQEVSTJZSA-N 353.514 2.858 0 50 FFAA Cc1ccc(-n2cccn2)c(CN2CCN(c3ccc(Cl)nn3)CC2)c1 65386400 LCHNPHWKINRONK-UHFFFAOYSA-N 368.872 2.946 0 50 FFAA COc1ccc2c(c1OC)CC[C@H]2NC1CCN(c2ncccn2)CC1 252508229 XHNQVQSRQUKUJB-QGZVFWFLSA-N 354.454 2.740 0 50 FFAA O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(-c3ccc(CO)cc3)nc21 65489990 HYFHKOBFCINZTO-OAHLLOKOSA-N 351.381 2.778 0 50 FFAA N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 423827400 NTULEJYQNFVZBC-TZMCWYRMSA-N 358.408 2.973 0 50 FFAA O=C(COc1cccc(Cl)c1)N1CCCN(Cc2ccncc2)CC1 77471338 XYPCJOKHJWSIMO-UHFFFAOYSA-N 359.857 2.848 0 50 FFAA O=C(O)COc1ccc(Cl)cc1CN1CC[C@@H](N2CCCCC2)C1 215003467 DKSYYYJLCCYQGI-MRXNPFEDSA-N 352.862 2.864 0 50 FFAA COc1cccc(CCCN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c1 328650235 VKPFJGQYJRKBML-QGZVFWFLSA-N 370.453 2.740 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 72172969 ZYUPACOFCYJEOU-OAHLLOKOSA-N 366.400 2.723 0 50 FFAA COCc1ccc(C(=O)N2CCN(CC3CCCCC3)[C@H](CCO)C2)o1 72478882 WFFQUEKQWPXTOI-QGZVFWFLSA-N 364.486 2.515 0 50 FFAA CCCc1cc(C(=O)NCC2(N3CCOCC3)CCCCCC2)n(C)n1 77286488 HDOFQFCKLAHHLT-UHFFFAOYSA-N 362.518 2.528 0 50 FFAA O=C(O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 373060223 WQYXTIDBKXVZJY-OAHLLOKOSA-N 372.446 2.550 0 50 FFAA CCn1ccc(C(=O)N(Cc2ccccc2C)C[C@@H]2CCCO2)cc1=O 215099607 HCBZADFWTOAYMO-IBGZPJMESA-N 354.450 2.998 0 50 FFAA Cc1ccccc1OCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 72172950 RCPNPLGIIIBFNQ-INIZCTEOSA-N 372.852 2.945 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc(O)c3)CC2)n1 77299354 CAYIXMNBZLSVFZ-UHFFFAOYSA-N 357.454 2.962 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cn21 333177519 PBKSWHVEGFOKIU-KEYYUXOJSA-N 365.499 2.503 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(C)C)c(C)c1 72437114 SRAWXCCPPZSHER-FUHWJXTLSA-N 366.527 2.788 0 50 FFAA O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@@]1(CO)CCc2ccccc21 128670048 IVEBCKRBBPFLQK-OAQYLSRUSA-N 365.433 2.534 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCC[C@@H]1N)c1cc2c(cc1Br)OCCO2 237454377 RYBCAXXGVJLTJT-CWSCBRNRSA-N 369.259 2.525 0 50 FFAA CN(C)c1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 72150772 JABIUGXKNYYPFJ-HNNXBMFYSA-N 350.470 2.874 0 50 FFAA Cc1c(C(=O)N2CCC(c3ccnc(N)n3)CC2)[nH]c2ccc(F)cc12 426596617 PBWXAYHLQNURJE-UHFFFAOYSA-N 353.401 3.007 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCO1 178280651 LFSNBZBYWSNERJ-HXUWFJFHSA-N 365.429 2.893 0 50 FFAA O=C1CC[C@@]2(CCCN(CCc3ccccc3)C2)CN1CCc1c[nH]cn1 82091737 FWUDCOVVYBBEIU-JOCHJYFZSA-N 366.509 2.900 0 50 FFAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC[C@H]1CCN1CCOCC1 82121383 FSANNKHTRWACBA-INIZCTEOSA-N 374.510 2.855 0 50 FFAA Cc1cc(C)cc(CSCC(=O)NCc2cc3n(n2)CCCNC3)c1 82158482 IQANTLKZKCIACG-UHFFFAOYSA-N 358.511 2.543 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1 82145715 FQGPTFHCNGVRQR-DZGCQCFKSA-N 373.906 2.686 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(OCCCN)cc1 426661257 NEOOVXMTZZKYLY-UHFFFAOYSA-N 356.451 2.691 0 50 FFAA O=C(NCCCN1CCC[C@H](O)C1)N(Cc1ccccc1)C1CCCC1 426667126 RQHKCPIXSAAZGL-FQEVSTJZSA-N 359.514 2.988 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 239025440 BPSFGVUEBIZPAP-WRFANHODSA-N 360.841 2.512 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)c1CC 95529113 BPDKJEHSASDXAY-NSHDSACASA-N 369.429 2.873 0 50 FFAA O=C(NCCc1nc(C2CC2)nn1CC(F)(F)F)c1ccccc1F 96163193 ZJEMGJWXSZIIII-UHFFFAOYSA-N 356.323 2.829 0 50 FFAA Cc1cnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cn1 91997257 BYGBFQMTKLXNTL-MRXNPFEDSA-N 352.438 2.578 0 50 FFAA O=C(N[C@@]1(C(=O)O)CCCc2ccccc21)c1nc2ccccn2c1F 95527633 AECXGPJNJQMBHT-IBGZPJMESA-N 353.353 2.520 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)ccn1 95360446 GFDJQMZYENIXHD-UHFFFAOYSA-N 365.437 2.580 0 50 FFAA Cc1nc(-c2nc([C@H]3CCS(=O)(=O)C3)n(Cc3ccccc3)n2)cs1 96167010 KFUDZTQAAPNMKN-AWEZNQCLSA-N 374.491 2.660 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1cccc(-n3cccn3)c1)CC2 96162246 TXYRDNIFTMXVOG-GOSISDBHSA-N 355.438 2.673 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2C1)c1cnc(CN2CCCC2)s1 91424953 HOUHTLZWRHAEFO-CQSZACIVSA-N 357.479 2.720 0 50 FFAA CCC(=O)c1ccc(OCC(=O)N2CCC(Cc3noc(C)n3)CC2)cc1 244816799 SOPZDPNTBGUMGI-UHFFFAOYSA-N 371.437 2.831 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCCc3nncn3C(C)C)c2)n1 244795296 RDLOTRPGFRGSRD-UHFFFAOYSA-N 366.469 2.693 0 50 FFAA CN(C)c1ccncc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 183505153 MLRSMDYSWFIIJJ-UHFFFAOYSA-N 356.407 2.781 0 50 FFAA CC(=O)c1ccc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)nc1 534672973 DTRRJQNZRUDICQ-UHFFFAOYSA-N 365.433 2.694 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3cccc(Cl)c3F)C2)n[nH]1 534578219 WRAALLQZDQAZMD-LBPRGKRZSA-N 351.813 2.995 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)cs1 65375287 OLGQYNJAQNEKSU-OAHLLOKOSA-N 372.494 2.669 0 50 FFAA Cc1cccc(O[C@@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 102228977 PUURCCGRYUFDLG-LBPRGKRZSA-N 355.419 2.531 0 50 FFAA Cc1nnc(SCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)o1 299800536 SVUVFGAAMPGAHF-UHFFFAOYSA-N 357.439 2.753 0 50 FFAA Cc1c[nH]ccc1=NCCNS(=O)(=O)c1cc(Cl)ccc1Cl 825527309 MUWRSJDSSJJQBL-UHFFFAOYSA-N 360.266 2.509 0 50 FFAA COc1ccc2nc(CNC(=O)c3c(C)[nH]c4c3C(=O)CCC4)[nH]c2c1 670468375 RLUNREIUVHQMGK-UHFFFAOYSA-N 352.394 2.657 0 50 FFAA COc1cccc(SCC(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)c1 952966032 FWNNZDHLBHBROV-GOSISDBHSA-N 364.467 2.621 0 50 FFAA CC[C@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C)N1CCOCC1 952982400 GYKRYYDGBCXLSH-QGZVFWFLSA-N 361.486 2.573 0 50 FFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)CCCN2CCCC2=O)n1 952978122 WWGCQPIUSVXGDF-CQSZACIVSA-N 356.426 2.625 0 50 FFAA O=C1O[C@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2N1C1CCCC1 1565512925 VEGMOUQVTUNLPY-MOPGFXCFSA-N 370.428 2.959 0 50 FFAA COc1ccc(Nc2ccccc2C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1 269061527 ZWRDGHZJEQTDKP-INIZCTEOSA-N 370.405 2.755 0 50 FFAA O=C(CSc1ccc(F)c(F)c1)N[C@@H](Cc1ccccc1)C(=O)O 170100020 VHMQBFOZFXRCPK-HNNXBMFYSA-N 351.374 2.869 0 50 FFAA CCCC(=O)N1CCC(OC(=O)CC2CCC3(CC2)OCCO3)CC1 170606611 DGCZMOSUHLFVKI-UHFFFAOYSA-N 353.459 2.644 0 50 FFAA Cc1nn(C)cc1CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 170616027 RTBOBQIBIGZUHI-IBGZPJMESA-N 354.454 2.509 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)ccn1 273932642 WFEIRVBMGGMXOM-UAGQMJEPSA-N 360.454 2.859 0 50 FFAA C[C@H](c1nccs1)N1CCN(C(=O)c2cc(O)nc3ccccc23)CC1 185784460 PFBCWALIQBSLBA-CYBMUJFWSA-N 368.462 2.916 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@H](c3cnn(C)c3)C2)ncn1 275508823 BNFHGPBWDPWUCS-VPWXQRGCSA-N 370.501 2.820 0 50 FFAA Cn1cc(CCC(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)cn1 275745670 QLAYOHWULQBTNL-KRWDZBQOSA-N 358.511 2.585 0 50 FFAA O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@@H](N2CCCC2=O)C1 276985335 WZWICBMAZFNQPZ-QGZVFWFLSA-N 359.445 2.555 0 50 FFAA Cc1ccccc1Cc1nnn(Cc2nc(-c3ccccc3F)no2)n1 186778478 DLVCXEFJWDZECL-UHFFFAOYSA-N 350.357 2.810 0 50 FFAA COc1ccccc1CN(CCO)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 190266642 GXOKRDKKVUYSNI-QAPCUYQASA-N 364.486 2.650 0 50 FFAA c1ccc(CO[C@@H]2CCCN(Cc3nnc(-c4cccnc4)o3)C2)nc1 1529196916 JLFXWTPDZKUDMX-QGZVFWFLSA-N 351.410 2.708 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCCN(C[C@@H]2CCOC2)CC1 1529168276 ZJXUOGWIHPSHRY-AWEZNQCLSA-N 352.862 2.533 0 50 FFAA CC1(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)COC1 1704359789 XUUAKWLHAVHAIO-QFIPXVFZSA-N 363.461 2.987 0 50 FFAA CCc1[nH]nc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C 1704298809 NWRCGSQJRCNETQ-BEFAXECRSA-N 364.449 2.816 0 50 FFAA Cc1cc(N2C[C@@H]3[C@@H](C2)C3(CO)CO)c2cc(C(F)(F)F)ccc2n1 1772806476 YNFCIIZUZULWEL-ZIAGYGMSSA-N 352.356 2.599 0 50 FFAA Cc1ccc2oc(N3CCCN(C(=O)[C@@H]4CCCN(C)C4)CC3)nc2c1 1772817185 LNSARVUJWVCJOU-MRXNPFEDSA-N 356.470 2.517 0 50 FFAA Cc1cccnc1CCNC(=O)CCc1nnc(CCc2ccccc2)o1 11661119 CBZMXYUTGQWXQR-UHFFFAOYSA-N 364.449 2.850 0 50 FFAA COc1ccc(CNS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1 12002218 HSODSUNYDGAOOS-UHFFFAOYSA-N 374.462 2.691 0 50 FFAA CCOC(=O)[C@@H]1CCCN(Cc2cc3ccc(Cl)cc3n(C)c2=O)C1 12039149 OPAJFXAHMRMLPY-CQSZACIVSA-N 362.857 2.967 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4cccnc4)C3=O)C2)c(C)o1 12301181 MMFORWZXNGLXCJ-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA C[C@@H](CNC(=O)c1cn(CCCc2ccccc2)nn1)Oc1cccnc1 12306549 ZPNAHWUPCQCBTP-INIZCTEOSA-N 365.437 2.503 0 50 FFAA CCN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 12314228 NLUUZHPJGSSCNB-UHFFFAOYSA-N 358.530 2.545 0 50 FFAA CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccccn3)cc2C1=O 12510294 VOPSWEBLSPHEPH-UHFFFAOYSA-N 351.406 2.654 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cn(C3CCCCC3)nn2)C1 14977198 JMBNUKLOLSASLS-HNNXBMFYSA-N 367.453 2.913 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)CCc2nnc(COc3ccccc3)o2)C1 19147357 BPZATSMRHBKSPT-INIZCTEOSA-N 372.469 2.524 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2Cl)CC1 19842712 UZPWKQVNMREFAQ-UHFFFAOYSA-N 368.861 2.986 0 50 FFAA Cc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169764133 OFPPMWKGBIRSGT-UHFFFAOYSA-N 364.449 2.591 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)s1 169778192 GZFNBCQMIFHGMP-GFCCVEGCSA-N 370.438 2.663 0 50 FFAA O=C1OC[C@]2(Cc3ccccc3)CN(CCc3ccc(O)cc3)CCN12 1857674799 YPMPUYIBUHJIJP-NRFANRHFSA-N 352.434 2.684 0 50 FFAA Cc1cccc(F)c1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857708891 SGIDIVJGIAOSDD-LTVCHDBBSA-N 358.457 2.753 0 50 FFAA O=C(Cc1ccccc1F)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857726801 CWOGXMZBVXYGCG-WSTZPKSXSA-N 354.425 2.699 0 50 FFAA CS(=O)(=O)c1ccc(-c2cc3c(s2)C2(CCNCC2)OCC3)cc1 1857736024 MRELZOZYBJPBPK-UHFFFAOYSA-N 363.504 2.970 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cn2)n1 237787231 BFRDHTVWBXNBED-PVAVHDDUSA-N 368.437 2.742 0 50 FFAA Cc1ccc(NCc2c(Cl)cnn2C)cc1N1CCCS1(=O)=O 132391328 ZOCVZMCRRZNFCV-UHFFFAOYSA-N 354.863 2.534 0 50 FFAA Cc1ccccc1CNC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 246159199 QRULFPQDBZALTN-MSOLQXFVSA-N 352.482 2.829 0 50 FFAA Cc1cccc(-c2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)c1 151753151 FUPMVALOMRMPTI-IBGZPJMESA-N 364.449 2.581 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cn1 490909710 ISBKZTZZPMFIFS-NSHDSACASA-N 353.348 2.557 0 50 FFAA Cc1ccccc1C1(C(=O)N[C@H](Cc2ccccc2O)C(=O)O)CCC1 1875354316 DJIFBIRXDZAEIG-QGZVFWFLSA-N 353.418 2.934 0 50 FFAA CC1(C)C[C@@H](CNC(=O)C[C@H]2CC[C@@H](C3CC3)O2)N(c2ncccn2)C1 1875406062 WAZANUYZCZDAHD-BBWFWOEESA-N 358.486 2.545 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1c[nH]cc1-c1ccccc1F 1875401014 QFVQMMSHQWMMIN-UPRAQXHNSA-N 368.412 2.587 0 50 FFAA O=C1CC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CC(=O)N1 2325779338 ZBIKFZUUHFTQEV-UHFFFAOYSA-N 350.418 2.658 0 50 FFAA CN(C)Cc1cc(NC(=O)c2c[nH]nc2-c2ccn(C)n2)ccc1Cl 2325858768 ZVBFDSRQMIKXBC-UHFFFAOYSA-N 358.833 2.778 0 50 FFAA CC(=O)NCCC1CC(N=c2[nH]c3cc(Br)ccc3o2)C1 2325867287 QHRVUUXMNXDQPA-UHFFFAOYSA-N 352.232 2.729 0 50 FFAA COc1ccc(C)cc1N(CC(=O)Nc1cccc(C)c1)S(C)(=O)=O 816916 CJVXBIAPYVPBRW-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1N 2264249 JYLIJVOQDCIVLW-UHFFFAOYSA-N 374.857 2.747 0 50 FFAA COC(=O)c1cncc(C(=O)N2CCC3(CC2)OCCc2sccc23)c1 2356154846 MOSLURGOUCJOBG-UHFFFAOYSA-N 372.446 2.634 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)OC2=C[C@H]1NC(=O)c1ccccc1 6180358 NBBNPGKKUWNAJF-FRTACKCFSA-N 367.401 2.786 0 50 FFAA CC(C)Oc1cccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 10112628 PCOYZHXUEFHDBG-UHFFFAOYSA-N 362.451 2.775 0 50 FFAA O=C(c1ccnc(OCc2ccccc2)c1)N1CC[C@@H](N2CCCC2)C1 171452046 ZTXAUYDKORGFIM-LJQANCHMSA-N 351.450 2.971 0 50 FFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccnc2)CC1 20976718 GWEVALDKSFGEFO-UHFFFAOYSA-N 358.829 2.656 0 50 FFAA Cc1nnc(NC(=O)c2cccc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2)s1 102607749 GJCOJDSJUMXJSI-ZSHCYNCHSA-N 358.467 2.587 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1 65364355 NPLHJPUBRXBGFE-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA Cc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc([C@H]2CCCNC2)n1 67742738 AXTLBHXWBZXWOT-AWEZNQCLSA-N 367.428 2.845 0 50 FFAA COc1ccccc1/C=C/CN1CCC(n2cc(C(C)(C)N)nn2)CC1 23582086 FQIHOQAISCRDHQ-SOFGYWHQSA-N 355.486 2.831 0 50 FFAA C[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)CO)n1c(S)nnc1-c1cccs1 137139744 PDKFJIAPHQHNJD-SIVJFFJCSA-N 366.512 2.524 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65529513 KZFOGTSFXVARDG-MAUKXSAKSA-N 357.381 2.603 0 50 FFAA COc1ncc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 65406863 ZGTWVSGAZKYKNC-RBUKOAKNSA-N 363.417 2.629 0 50 FFAA CC[C@@H]1CN(C(=O)c2cc(CN(C)CCc3ccccc3)on2)CCO1 67588552 OOMAVYMLRPXSTQ-QGZVFWFLSA-N 357.454 2.600 0 50 FFAA COc1ccccc1NC(=O)NCCNc1cc(N2CCCC2)nc(C)n1 65362051 ZBEIZRVJVNLCRW-UHFFFAOYSA-N 370.457 2.627 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(Cl)cccc2Cl)C1 2808147 YODIWAXGTPNYGH-VIFPVBQESA-N 351.255 2.604 0 50 FFAA COc1ccc(CCN2C(=O)O[C@@](C)(c3cccnc3)[C@]2(C)O)cc1OC 4709155 FEVQRAGSZFRIIT-PMACEKPBSA-N 372.421 2.717 0 50 FFAA O=C1CCCCCN1CCCNC(=O)N1CCOC2(CCCCCC2)C1 126393412 XHIUEEQPJGDLMS-UHFFFAOYSA-N 365.518 2.914 0 50 FFAA CC(C)(C)n1nnnc1CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 329781458 SQSVOZZLIOKQGA-CQSZACIVSA-N 352.446 2.550 0 50 FFAA CC(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c1 480784112 AHYDZUWFDFOYGY-LBPRGKRZSA-N 360.435 2.752 0 50 FFAA O=C(COc1ccc2ccccc2c1)NC1CCN(C[C@@H]2CCCO2)CC1 218895124 UUQSQQDVJZHTQE-NRFANRHFSA-N 368.477 2.978 0 50 FFAA COc1cccc2c1CC[C@@H]2NC(=O)CCn1c(=O)oc2ccccc21 153636283 CZKJDDWEQTVHAW-HNNXBMFYSA-N 352.390 2.797 0 50 FFAA CN1C[C@@H]2CC[C@H](C1)N(Cc1cccc(OCCCn3ccnc3)c1)C2 215584008 IXJAEHUIUJMRSV-VQTJNVASSA-N 354.498 2.878 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 333980099 BXZZJQSECIOMCO-SJLPKXTDSA-N 361.507 2.998 0 50 FFAA COc1cc(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)ccc1F 72144051 YOQDAPOLJDJBPC-IBGZPJMESA-N 355.409 2.925 0 50 FFAA CC[C@](NC(=O)c1cccc(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1 262834669 YJGHWYOMUKLKGT-HXUWFJFHSA-N 354.406 2.508 0 50 FFAA OC[C@]1(O)CCCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C1 72166227 VEYYEGLERPZSQK-HUSRRGRTSA-N 362.539 2.930 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccccc1-n1cncn1 77379419 GLEWGXLEQGPQRX-UHFFFAOYSA-N 358.405 2.725 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c(C)[nH]1 77427806 FDCZOMJCUUMETN-LJQANCHMSA-N 368.477 2.838 0 50 FFAA Cc1cccc(CCC(=O)N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)c1 375539303 BNYBUBRFTCWMJU-PMACEKPBSA-N 355.482 2.940 0 50 FFAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2ccc(Cl)cc2n1 175696587 BXCHGIKOQTXVJL-SFHVURJKSA-N 365.820 2.941 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12 263341418 XQDQNOYUSQRIHG-ZDUSSCGKSA-N 358.369 2.567 0 50 FFAA CCN(CC)CCCNC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 426420435 CUQGYDQTEMHNOJ-UHFFFAOYSA-N 353.470 2.901 0 50 FFAA COc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1 177584334 WVYKCEGNHFJLFP-UHFFFAOYSA-N 363.439 2.703 0 50 FFAA O=C(NCCCN1CCCC1=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426431330 PHLXLSIYNOQSIN-UHFFFAOYSA-N 362.433 2.972 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)cc2)CC1 221342602 QTCYOVOCJYDUMO-UHFFFAOYSA-N 374.488 2.912 0 50 FFAA O=C(CSc1ccccc1)N[C@@H]1COCC[C@@H]1OCc1ccccn1 220452819 CFNYXOQQBDBVIQ-MSOLQXFVSA-N 358.463 2.664 0 50 FFAA COC(=O)Cc1ccc(F)c(-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1 426387585 BYDVFXCYCUNDIB-INIZCTEOSA-N 357.381 2.727 0 50 FFAA CSCc1nc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cs1 97402502 ZWOKHZQKZFPZOZ-GFCCVEGCSA-N 365.455 2.887 0 50 FFAA CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1c(C)noc1C)C2 91381264 JXSSDOCNPNEFRK-LSDHHAIUSA-N 358.442 2.578 0 50 FFAA COc1cc(F)c(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(F)c1 91934411 KSTGJCOSPTYQPT-ZDUSSCGKSA-N 366.408 2.981 0 50 FFAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@H](c4nccn4C)C3)nc12 95506994 LMRJLXAKDIDHFF-HNNXBMFYSA-N 367.453 2.528 0 50 FFAA O=S1(=O)CC[C@H](n2nc(C3CC3)nc2-c2ccccc2-c2ncc[nH]2)C1 96160836 HVVULNGWKWKZMR-ZDUSSCGKSA-N 369.450 2.572 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CNc1ccc(Br)cc1)[C@@H]1C[C@@H]31 239025499 BSDIXANXEJIXCW-OJFNHCPVSA-N 373.250 2.872 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)Cc3ccc(CO)cc3)C2)CCC1=O 91793534 BHFDNJJPNLMJMQ-QFIPXVFZSA-N 372.509 2.753 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)sc1Cl 91808054 FWXYCXBXVWOWHV-LLVKDONJSA-N 355.891 2.555 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)c2cc(C(C)C)n3ncnc3n2)c1 91665033 RKRNIYZOJYFNDK-MRXNPFEDSA-N 351.410 2.844 0 50 FFAA CO[C@H]1O[C@H]2CC[C@@H]3[C@H]2[C@H]2[C@H]4[C@H]5[C@@H]6[C@@H]7CC[C@H]8O[C@@H](OC)[C@@]([C@H]34)([C@H]5[C@@H]78)[C@]162 247823616 FAGBTYMPISAHPZ-PHFQXYOZSA-N 356.462 2.519 0 50 FFAA Nc1nscc1C(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244811653 SIQHQQMUEVCDBD-PVXIVEMSSA-N 354.435 2.516 0 50 FFAA Cc1cnn(CC2CCN(C(=O)CSc3nc(C)cs3)CC2)c1 244811817 SLRARRVDKFTKAC-UHFFFAOYSA-N 350.513 2.987 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(CSC)o2)[C@H]2C[C@H](O)C2)cn1 252536881 JSICKJZUQYFHGG-DCGLDWPTSA-N 362.451 2.788 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@H](Cn2ccnn2)C1 183829072 XAKCAYQZJFRFQR-WMLDXEAASA-N 373.432 2.753 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 184333510 JXVXARWIFCRGBQ-NSHDSACASA-N 374.807 2.922 0 50 FFAA CC(C)(C)c1cc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)nc(O)n1 253535711 NLQFBPHBNNKNNM-JKIFEVAISA-N 355.438 2.722 0 50 FFAA Cc1c(-c2cccc(C(=O)NC[C@H](C)Oc3cccnc3)c2)cnn1C 534660427 SMMSGZCZIKEUFS-AWEZNQCLSA-N 350.422 2.988 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NC[C@@H](c1cccc(C)c1)N(C)C 534667793 MBOAFAITXVHMSP-SFHVURJKSA-N 357.502 2.953 0 50 FFAA CN1CCN(c2ccc(NC(=O)c3cc(F)c4ncccc4c3)cn2)CC1 1330196333 BIYOTPJFANTJLJ-UHFFFAOYSA-N 365.412 2.773 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)CN(C)C2CCNCC2)c2cccnc2)c1 299798483 QBWRSHXPWZXFOD-QFIPXVFZSA-N 366.509 2.588 0 50 FFAA NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2cccc(-c3ccco3)c2)C1 299765132 WRXVHMDADSJALX-INIZCTEOSA-N 370.453 2.656 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)c1ccc(OCCCN)cc1 299789637 YXMMEKRYWPNJDA-UHFFFAOYSA-N 364.449 2.872 0 50 FFAA CN(Cc1cc(Br)cn1C)C(=O)c1cc(N(C)C)ccn1 163496731 FZERNHPPELICNE-UHFFFAOYSA-N 351.248 2.521 0 50 FFAA CC(C)c1ncc(Cl)c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)n1 278958048 NMHRTWWKTCPYJU-UHFFFAOYSA-N 359.817 2.947 0 50 FFAA CCc1ccc([C@H](CNc2ncnc(-n3cccn3)c2N)N(C)C)cc1 170665832 GQSYAOMTFXAGBA-INIZCTEOSA-N 351.458 2.522 0 50 FFAA Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)[nH]1 185837038 AGEFMANJHKSQBO-CQSZACIVSA-N 361.467 2.662 0 50 FFAA COc1cc(Cl)cc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704302743 AXDGJRRVBRUPGO-UHFFFAOYSA-N 350.850 2.584 0 50 FFAA COc1ccc(C2(C(=O)N(CCN(C)C)Cc3cnc[nH]3)CCCC2)cc1 1704327258 AYOMEVHVVASZGN-UHFFFAOYSA-N 370.497 2.821 0 50 FFAA C/C=C(\C)CN1C[C@H]2CN(C(=O)c3ccc(C)nc3C)C[C@@]2(CN(C)C)C1 1772819983 ZIXKWZHDDSOEAQ-KYFCDRMLSA-N 370.541 2.600 0 50 FFAA COC[C@@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)C1 12055700 KORLKELESKQOPA-CXAGYDPISA-N 350.846 2.912 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 12380488 KWFGAMLNKICILC-CYBMUJFWSA-N 363.820 2.990 0 50 FFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 12706780 CJSNFUHWHBSISH-HXUWFJFHSA-N 371.525 2.555 0 50 FFAA CCOC(=O)C1(CCOC)CCN(Cc2ccc(NC(C)=O)cc2)CC1 14978243 QTACBHLFIQYFMH-UHFFFAOYSA-N 362.470 2.827 0 50 FFAA O[C@@H](c1ccccc1)c1cn(CC2CCN(Cc3ccoc3)CC2)nn1 19112984 FCURZRIVSWRNMK-FQEVSTJZSA-N 352.438 2.865 0 50 FFAA COCc1cn(C2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)nn1 19595196 NHFYOYRIOJVWKE-UHFFFAOYSA-N 367.453 3.000 0 50 FFAA O=C(NCCCn1ccnc1)/C(=C\c1cccs1)NC(=O)c1ccco1 1744326 UDCRVPOQBTZVAC-NTCAYCPXSA-N 370.434 2.515 0 50 FFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCc2[nH]nc(C3CC3)c2CC1 1857677404 AGFUPENXRVCFCL-UHFFFAOYSA-N 355.829 2.829 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@H]1CC[C@H](c2ccccc2)N1 1857738858 BOGFPLYLKPFJRR-UKRRQHHQSA-N 368.462 2.849 0 50 FFAA CSc1nc2nc(C)c(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(C)n2n1 225350149 IRNMFDHNQOVACF-PCBIJLKTSA-N 373.526 2.946 0 50 FFAA O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@H](Nc2ccccc2)C1 126257203 DUAZBQOUPFHFAZ-IBGZPJMESA-N 365.481 2.796 0 50 FFAA CCn1nc2c(c1C(=O)NCc1c(C)cc(C)nc1OC)C[C@H](C)O[C@@H]2C 1875314282 PYLPDJBRFYCUTC-UONOGXRCSA-N 372.469 2.876 0 50 FFAA COC(=O)[C@@]1(CNc2ccc(OC)c(N3CCOC3=O)c2)CC=CCC1 1875319775 RFBFRCILFOZKRE-IBGZPJMESA-N 360.410 2.963 0 50 FFAA C=CC(=O)NCCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c(c1)CCO2 1875385799 BQBBBPKSAKWSTG-MAUKXSAKSA-N 356.466 2.945 0 50 FFAA O=C(NC[C@H]1CCN(c2ncc(Oc3ccccc3)cn2)C1)C1(F)CC1 1875407662 FQNFMMVOQYLLTH-CQSZACIVSA-N 356.401 2.714 0 50 FFAA O=C(Nc1ccc(Oc2ccccc2)nc1)C1CN(C2CCOCC2)C1 896076967 ZGRVSUHVUPOKGI-UHFFFAOYSA-N 353.422 2.923 0 50 FFAA O=C(O)CC(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2504844 ZVTDIOCXLUVDEZ-UHFFFAOYSA-N 369.373 2.843 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)s1 2325825022 AATKCEGRUCLWKS-HNNXBMFYSA-N 370.540 2.770 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CCc2nc(-c3nnc[nH]3)no2)c1C 125485368 DUXIJLDCGBTSQS-OAHLLOKOSA-N 366.425 2.768 0 50 FFAA C[C@H]1CCc2c(sc3ncn(CC(=O)NCc4ccccc4)c(=O)c23)C1 921216 DOEYTKPVIBHZSH-ZDUSSCGKSA-N 367.474 2.899 0 50 FFAA Cc1nn(C)cc1CNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1067903 RNKOMDFCDSZMCR-UHFFFAOYSA-N 360.368 2.516 0 50 FFAA O=C(c1nc2ncccc2[nH]1)N1CCC2(CC1)OCCc1sccc12 2356142320 NLFCEZJITFXPNN-UHFFFAOYSA-N 354.435 2.724 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N2CCCC2)CC[C@H]1Nc1ncnc2[nH]ccc12 2356146132 TZHKXVNMVIWTMS-USXIJHARSA-N 371.485 2.956 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccnc3ccccc23)C1=O 2356150148 OABWDKFWTPDMNH-NRFANRHFSA-N 353.466 2.838 0 50 FFAA Cc1ccc2nc(CN3CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C3)cn2c1 2356157467 MHZKGKXHMMPOBY-YLJYHZDGSA-N 359.470 2.717 0 50 FFAA COc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Br 4868667 BEUCHGVXHREITI-UHFFFAOYSA-N 362.183 2.880 0 50 FFAA O[C@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2F)CC1 22620101 OIUJUPLXFDAEBH-IBGZPJMESA-N 370.468 2.876 0 50 FFAA CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 64999537 UPDQYFOANCGLMV-ZDUSSCGKSA-N 356.513 2.799 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1ccc(OC)nc1OC 55310457 MVCCUFZXOGHRBF-UHFFFAOYSA-N 368.437 2.988 0 50 FFAA O=C(Cc1nc2ccccc2o1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 20294761 JHVMQKFBBPOPDW-HXUWFJFHSA-N 359.389 2.663 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 55357792 KNPHZDHBQBIDJT-OAHLLOKOSA-N 364.804 2.989 0 50 FFAA CCc1ccc([C@H]2CC(=O)Nc3cc(OC)c(NS(C)(=O)=O)cc32)o1 65451193 VTDLSNNCGASSOX-LBPRGKRZSA-N 364.423 2.696 0 50 FFAA Cc1cccn2c(=O)c(CN(Cc3nccn3C)C3CC3)c(Cl)nc12 67642142 KHQZBVTUYSCYPF-UHFFFAOYSA-N 357.845 2.554 0 50 FFAA Cc1cccc2c(CCNC3CCN(C(=O)[C@@H]4CCCO4)CC3)c[nH]c12 67677609 FBUYNZXAGBVBNM-IBGZPJMESA-N 355.482 2.778 0 50 FFAA O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(N2CCCC2=O)cc1 468222624 ZWZUFSIXIYSYDN-UHFFFAOYSA-N 365.368 2.990 0 50 FFAA CCCc1cc(CN(C)Cc2nc(-c3ccc(C(=O)OC)cc3)no2)n[nH]1 23128452 DUGGSJUAJRXIQM-UHFFFAOYSA-N 369.425 2.831 0 50 FFAA CCn1c(C2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)nn(C)c1=O 67804798 ICJVNKOWTZWHCK-UHFFFAOYSA-N 362.861 2.583 0 50 FFAA O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC(=O)N(C2CC2)C1 12314498 JIMPSNFMCJBUHS-LBPRGKRZSA-N 356.344 2.602 0 50 FFAA CN(Cc1nccs1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67774600 ABHFWKGCECCCMQ-HXUWFJFHSA-N 373.522 2.561 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)n1 67622285 RLZDLCIRNAESMZ-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CC(Oc3cccc(C)c3)C1)C2 67966904 PNOHVFGTBYQBFE-HNNXBMFYSA-N 369.465 2.920 0 50 FFAA NC(=O)C1(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)CC1 67803268 GHGPUJFCUFEXHC-UHFFFAOYSA-N 372.856 2.702 0 50 FFAA CCCSCC(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71730184 GPPFWUVFNVCLQS-UHFFFAOYSA-N 371.510 2.633 0 50 FFAA Cc1cc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n(C)n1 72431369 KYDSJVZQKJYVLP-UHFFFAOYSA-N 367.371 2.871 0 50 FFAA Cn1c(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)ccc1-c1ccccc1 72147977 DBZQGYITKOGUEZ-HXUWFJFHSA-N 353.422 2.797 0 50 FFAA CC(=O)c1cn(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc12 36369821 LWMVLYKZVQOGNL-SFHVURJKSA-N 364.401 2.656 0 50 FFAA biogenic Cc1ccc2nc(C)cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)c2c1 219896169 RNUZYWZIDKXEGE-CGRMTHRGSA-N 365.477 2.833 0 50 FFAA COc1cccc(CN2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)c1 72433301 AADRQBDHOCSJGR-SFHVURJKSA-N 369.513 2.799 0 50 FFAA COc1nnc(CN2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)s1 77428022 NSUGIUTVOOWGLP-GOSISDBHSA-N 364.515 2.694 0 50 FFAA Cc1ccc(NC(=O)c2ccnc(C(=O)O)c2)c(OC[C@@H]2CCCO2)c1 262619937 MQRRHEWIMADBIH-AWEZNQCLSA-N 356.378 2.898 0 50 FFAA O=C(Cn1cc2ccccc2n1)N1CCCC[C@H]1c1nnc2n1CCCC2 333197203 XQHMIKLIOTUVKB-KRWDZBQOSA-N 364.453 2.718 0 50 FFAA COc1ccc2c(c1)CN(C(=O)C1(NC(N)=O)CC1)[C@@H](C1CCCCC1)C2 372838817 QJRQSMDXJXKZCM-GOSISDBHSA-N 371.481 2.730 0 50 FFAA Cc1nc2ccccc2c(C)c1CC(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237751323 MEDFDUCSNGNWPZ-INIZCTEOSA-N 370.449 2.876 0 50 FFAA COc1ccc(NC(=O)CN2CCC(Cc3cccnc3)CC2)cc1OC 378403630 OHJTXRFTXHDJSZ-UHFFFAOYSA-N 369.465 2.992 0 50 FFAA C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(Cc2ccncc2)CC1 176055237 IJKKPTWYHMLZIN-HTAPYJJXSA-N 367.493 2.717 0 50 FFAA CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(-c3nnnn3C)c2)s1 175441663 KPQHPRSOGZXXHV-SNVBAGLBSA-N 358.427 2.602 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@](O)(C(F)(F)F)CC1 287895712 OWZNQAAPPSJNST-OAHLLOKOSA-N 373.331 2.568 0 50 FFAA COc1cccc(F)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 222295481 YSARVJOKLGNTTB-SJLPKXTDSA-N 359.397 2.938 0 50 FFAA Cc1nccnc1-c1ccn(CC(=O)Nc2ccnn2C2CCCCC2)n1 48501615 ZISPCXHWJBCGCP-UHFFFAOYSA-N 365.441 2.989 0 50 FFAA COCc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)s1 82148190 ZXMGHXPVCOJIOB-CQSZACIVSA-N 350.484 2.902 0 50 FFAA CCCn1cc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(Cl)c2)c(C)n1 95526676 BTDGMBMXKOGAIV-CQSZACIVSA-N 353.781 2.950 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 95373170 HFCXSFJJFHCSNJ-CQSZACIVSA-N 352.460 2.637 0 50 FFAA CCn1cnnc1CCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 95358712 DGWSIQYCCAHWJG-UHFFFAOYSA-N 372.432 2.881 0 50 FFAA Cc1nc(NCCn2nc(-c3ccccc3)ccc2=O)c2cccnc2n1 95368611 PDELULHKYNRDBT-UHFFFAOYSA-N 358.405 2.669 0 50 FFAA Cc1ccc(O)c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 91440701 FRHBWGDEHVQZLE-UHFFFAOYSA-N 356.466 2.955 0 50 FFAA CN1CCN(C(=O)c2cnc(-c3cccnc3)nc2)[C@@H](c2ccccc2)C1 91656177 DGUXUCPRDMBIFX-LJQANCHMSA-N 359.433 2.668 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1cc(C(C)C)on1)CC(=O)N2 91691212 KXOAIMOHYNDCDI-HNNXBMFYSA-N 357.410 2.891 0 50 FFAA Cc1nc2c(c(NCc3cnn4cccnc34)n1)Cc1ccccc1OC2 95524270 WTMPLAPMMVYFRY-UHFFFAOYSA-N 358.405 2.923 0 50 FFAA O=C(NCc1ccc(-n2cccn2)cc1)c1cc(-c2ccc(O)cc2)n[nH]1 95355313 UXSWATFQGZVRPQ-UHFFFAOYSA-N 359.389 2.898 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)c1C 91933091 BRUWKDJYPIVQDS-HNNXBMFYSA-N 358.417 2.791 0 50 FFAA CCc1cccc(OC[C@@H](O)CNCCc2ccc(OC)c(OC)c2)c1 96027664 QFUVOAQKGBOBCV-SFHVURJKSA-N 359.466 2.838 0 50 FFAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)c12 331479388 DTNSNZMFLGTQER-LBPRGKRZSA-N 358.442 2.784 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 95366701 ALTHNEIMBPSYFH-QGZVFWFLSA-N 358.461 2.994 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)c2cc(C(C)C)n3ncnc3n2)c1 91665034 RKRNIYZOJYFNDK-INIZCTEOSA-N 351.410 2.844 0 50 FFAA CC(=O)c1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95526157 SEMOXIYBTJVMQW-IBGZPJMESA-N 368.481 2.667 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 97759356 FJDLJSHKWXOQKW-SFHVURJKSA-N 355.438 2.673 0 50 FFAA c1cn(Cc2nnc(C3CCN(c4nccs4)CC3)n2C2CC2)cn1 91665031 IRPDEOXVEKTUQE-UHFFFAOYSA-N 355.471 2.698 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc(=O)[nH]1 95384438 JUYLKRDQVCTFRC-KRWDZBQOSA-N 355.463 2.501 0 50 FFAA COCCn1cncc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 244764177 PCQWDHZAXUFFMM-KRWDZBQOSA-N 353.426 2.917 0 50 FFAA O=C(CCN1CCN([C@@H]2CCc3ccccc3C2)CC1)Nc1cccnc1 252488512 ITVRTANEABCDSD-OAQYLSRUSA-N 364.493 2.585 0 50 FFAA Cn1nnc2ccc(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)cc21 183340117 IOJQKZHTRCPARK-SFHVURJKSA-N 363.465 2.753 0 50 FFAA Cc1cn2c(=O)cc(CN(C)Cc3ccc(-n4cccn4)cc3)nc2s1 252490606 KXSIJSQVQVOYMI-UHFFFAOYSA-N 365.462 2.882 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 299327657 BNIDNLXXOAFNAI-NXHRZFHOSA-N 353.422 2.789 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)C1 534661260 VWPYZVMVHJQVAS-FQEVSTJZSA-N 365.477 2.913 0 50 FFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)Nc1ccc2cc[nH]c2c1 71375487 IPXBJFIRLMZPAM-VYDXJSESSA-N 358.467 2.832 0 50 FFAA biogenic CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cc(C2CC2)nn1C 299768844 QJWMBOHZPBCYCU-ZDUSSCGKSA-N 359.474 2.552 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NCCN2CCC[C@@H](CO)C2)c1 828711119 GOCMXHFYGYOWBL-QGZVFWFLSA-N 368.477 2.796 0 50 FFAA CCCn1cnnc1CN[C@H](C)CCc1c(C)[nH]c2ccccc2c1=O 823031276 FFCUKXAWOWLCHC-CQSZACIVSA-N 353.470 2.949 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)NC1(c2cccc(Cl)c2)CC1 584900156 NHLUUGDQUVSVEY-UHFFFAOYSA-N 362.861 2.921 0 50 FFAA Cc1ncc(CO)c(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)c1O 952872371 MSPSBOALSFKEBJ-AWEZNQCLSA-N 360.458 2.549 0 50 FFAA CCOc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565513614 JIIAHLUEZFUEJB-QAPCUYQASA-N 356.466 2.948 0 50 FFAA O=C(Nc1ccc2scnc2c1)NC1CCN(c2ncccn2)CC1 171370905 FTCHTRJAEHUGHO-UHFFFAOYSA-N 354.439 2.877 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2cc(C)c(-c3ccccc3)s2)cn1 1136310725 TWRUCWIMEGHBQC-UHFFFAOYSA-N 354.435 2.918 0 50 FFAA O=C(Nc1ccn(CCc2ccncc2)n1)Nc1cccc2c1OCCO2 190950043 OZDXAETXRWLYOT-UHFFFAOYSA-N 365.393 2.936 0 50 FFAA COc1ccccc1CC(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615736642 NAKANJLJXYZSOU-PMACEKPBSA-N 366.461 2.522 0 50 FFAA O=C(Nc1nc2c(F)cccc2s1)[C@H](c1cccnc1)N1CCOCC1 1529167745 NPTVDIHKRJNQST-INIZCTEOSA-N 372.425 2.842 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 216387820 HCGNYHJRBUDSBI-WMZOPIPTSA-N 360.523 2.717 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCC2(CC1)OCCc1sccc12 1704306980 ZZCPJRUMPKYKJN-KRWDZBQOSA-N 371.458 2.979 0 50 FFAA OC[C@]12CCOC[C@H]1CN(C1CCN(c3ccccc3Cl)CC1)C2 1772712742 ZWKUAUCSOFZDOT-DNVCBOLYSA-N 350.890 2.640 0 50 FFAA Cc1cc(CNC(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)no1 1772816396 PLWZUYHAGBBJDY-CYBMUJFWSA-N 354.435 2.923 0 50 FFAA CN1C[C@]2(CCCN(c3noc(-c4ccccc4)c3C(=O)O)CC2)OC1=O 1772704911 UNVHKVJSWYYKEC-LJQANCHMSA-N 371.393 2.851 0 50 FFAA COc1cccc(CC(=O)NC[C@@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11881846 AZPJQJOMFQJLSB-IBGZPJMESA-N 356.397 2.881 0 50 FFAA COc1ccc(OCc2cc(C(=O)N(C)[C@@H]3CCOC3)no2)c(Cl)c1 12298620 GJICFIBVVSKIHF-LLVKDONJSA-N 366.801 2.777 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CNCc3cc(F)ccc3F)C2=O)c1 12316029 LYGFNXFYSXENSF-NRFANRHFSA-N 374.431 2.917 0 50 FFAA C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2CCN(C)C)C1 12333143 XXGWJXVPVJVROG-LSORGDCHSA-N 355.526 2.964 0 50 FFAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CN2CCCCC2=O)c1C 12718441 SNDOWVGUNKENHU-HNNXBMFYSA-N 354.454 2.679 0 50 FFAA O=C(c1c(F)cccc1F)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 169776865 APVLCZZZFZWEOI-UHFFFAOYSA-N 372.297 2.736 0 50 FFAA Cc1cccc(F)c1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 1857691897 FSQIWKBIFVLHBR-UOIKSKOESA-N 355.413 2.743 0 50 FFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)cc1C 1857708702 IKWTYLLDZHFVFH-XHYAQGIWSA-N 370.493 2.623 0 50 FFAA CCCOc1ccc(C(=O)N2CCO[C@H](Cn3cccn3)C2)cc1OCC 111085634 WTYJBACIKCKODF-KRWDZBQOSA-N 373.453 2.612 0 50 FFAA CC1(C)C[C@@H](c2ccccc2)N(S(=O)(=O)c2cnn3c2OCCC3)C1 333470321 NMZPOSHJZWYWAY-HNNXBMFYSA-N 361.467 2.828 0 50 FFAA O=C(O)CCN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCOCC1 238065102 LMUVIAWPSVWVLI-UHFFFAOYSA-N 364.829 2.846 0 50 FFAA COCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 253397755 AMLKPVDLTHJZIP-QGZVFWFLSA-N 371.485 2.630 0 50 FFAA COCc1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)o1 374236494 CIXPXKLYMFGCPB-HNNXBMFYSA-N 354.406 2.991 0 50 FFAA COc1ccccc1C[C@H]1CCC[C@@H]1NCc1cnn2c1CN(C)CC2 952889676 JNCPYZUMHLNNBH-APWZRJJASA-N 354.498 2.838 0 50 FFAA O=C(NC[C@H]1CC12CCC(O)CC2)[C@H](O)c1cccc(Br)c1 1875298771 MZHMHCWLMIHPIR-ZCYLDUCGSA-N 368.271 2.540 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)c1 886097309 RGBYGSCCTRPSHZ-GOSISDBHSA-N 351.454 2.945 0 50 FFAA CO[C@H]1CC[C@@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C 889314884 NESULLKAHMNYSM-AAEUAGOBSA-N 352.232 2.585 0 50 FFAA CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)Nc1nc(C[C@@H]3CCOC3)cs1)C2 2325781802 OCCXJRGCYGYIMF-UGQVUOCMSA-N 364.515 2.859 0 50 FFAA NC1(CC(=O)Nc2ccsc2-c2ccc(Cl)cc2)CS(=O)(=O)C1 2325786390 HQRKZGATKAVPHV-UHFFFAOYSA-N 370.883 2.523 0 50 FFAA CN1CC(CCN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 2325803690 VUBYYZPKNNATEP-UHFFFAOYSA-N 356.297 2.703 0 50 FFAA Cc1cc(CN2CCC[C@@](C)(CNC(=O)c3nccc4[nH]ccc34)C2)on1 2325812067 BSZJTPKMUMKHEZ-FQEVSTJZSA-N 367.453 2.891 0 50 FFAA NC[C@@H]1CCN(C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)c2ccccc21 2325859664 FUOSOHGJYJAXAY-NSHDSACASA-N 369.371 2.899 0 50 FFAA CN1CCC[C@]2(CCN(Cc3cccn3-c3ccc(Cl)cn3)C2)C1=O 11753791 ZGFXZQBITPDURW-LJQANCHMSA-N 358.873 2.970 0 50 FFAA O=S(=O)(c1ccccc1OC(F)(F)F)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356158364 ZAQYNDQNYHVLLN-GDNZZTSVSA-N 365.373 2.652 0 50 FFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2837108 MDJAXLIYFDTYSK-UHFFFAOYSA-N 352.843 2.874 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)c2cc(-n3cccn3)ccc2Cl)C1=O 2356167318 XCDBIXUYSIWXDY-IBGZPJMESA-N 372.856 2.753 0 50 FFAA Cc1cccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1 4196915 QQTFBGYTPRNKGU-MRXNPFEDSA-N 363.460 2.501 0 50 FFAA COCCNC(=O)Cn1cc(C(=S)N2CCCCC2)c2ccccc21 4759203 BQCXZZGCBVLBCE-UHFFFAOYSA-N 359.495 2.565 0 50 FFAA Cc1c(Cl)cccc1N1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 7504433 DSYXXHGITSFUJM-UHFFFAOYSA-N 371.934 2.747 0 50 FFAA Cc1cccc(-n2nnnc2SCC(=O)NCc2ccccc2)c1C 8022553 NTDKGUXUCVQWAW-UHFFFAOYSA-N 353.451 2.688 0 50 FFAA Cc1cc(C(=O)NCCSc2ncn[nH]2)c(NC(=O)C(C)(C)C)s1 55392959 MXICCWDNCYJBNI-UHFFFAOYSA-N 367.500 2.681 0 50 FFAA COc1ccc(OC)c(CNC(=O)CC(=O)Nc2cc(C)cc(C)c2)c1 55282108 HKRGRJWGHTZLAP-UHFFFAOYSA-N 356.422 2.966 0 50 FFAA CCOc1ccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)cc1 55060437 KMHWBEWPURDQDO-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cc1 67983421 SVEIZPVVQPFAMM-GHTZIAJQSA-N 360.498 2.761 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CC(Oc3cccc(C)c3)C1)C2 67966901 PNOHVFGTBYQBFE-OAHLLOKOSA-N 369.465 2.920 0 50 FFAA CN(C[C@H]1CCCNC1)C(=O)c1cc(COc2c(F)cccc2F)on1 67946557 KWBPZISKOUAYDB-LBPRGKRZSA-N 365.380 2.603 0 50 FFAA CCCSc1ncc([C@H]2CC(=O)NCc3nc4sccn4c32)cn1 65373961 WEAMYTASNCQRLX-LLVKDONJSA-N 359.480 2.840 0 50 FFAA C[C@H](C(=O)N1CCC(O)(CO)CC1)c1ccc(-c2ccccc2)c(F)c1 67817478 PGLUDESXJXNWKI-HNNXBMFYSA-N 357.425 2.942 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CC=C(c2cnn(C)c2)CC1 65501140 ICZIHDIJFOFQKB-IBGZPJMESA-N 354.454 2.935 0 50 FFAA COc1ccccc1CCNC(=O)c1cc(COc2ccccc2)[nH]n1 67756153 UJCRHKGVADUDBR-UHFFFAOYSA-N 351.406 2.970 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2Cc2nccn2C)cc1 12430188 XLQRJKCNAQIHIX-SFHVURJKSA-N 364.453 2.517 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccc(O)nn3)C2)cc1 67855309 NXJCFUXKYYJGAU-HNNXBMFYSA-N 363.421 2.901 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)c1coc(COc2ccccc2F)n1 67849883 XURKRJBTJMFWJG-UHFFFAOYSA-N 360.345 2.746 0 50 FFAA CC(C)[C@H]1CN(C)CCN1C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67713716 NEZBKINFLMQFJR-HXUWFJFHSA-N 365.481 2.825 0 50 FFAA NC(=O)c1ccc(N2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)nc1 65406602 KDMQAMDBZVNMBT-UHFFFAOYSA-N 373.460 2.565 0 50 FFAA CC1=C(C(=O)NCc2cnc3c(c2)CCC3)[C@@H](c2cccs2)NC(=O)N1 67724518 FJPNBUMRJZINBQ-QGZVFWFLSA-N 368.462 2.576 0 50 FFAA Cc1cccc(-n2nc(-c3ccccc3)n(CC(=O)N3CCCC3)c2=O)c1 77408258 DKGSWSCOUIEBSI-UHFFFAOYSA-N 362.433 2.632 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72481641 FBOMEKWXSKUILJ-OAQYLSRUSA-N 366.465 2.763 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1 71748423 BPICBARJMQURPN-SFHVURJKSA-N 370.428 2.515 0 50 FFAA O=S(=O)(C[C@H]1CCCCO1)Nc1ccccc1-c1nc(C2CC2)n[nH]1 150840966 PTYQCNQQNIHQFR-CYBMUJFWSA-N 362.455 2.660 0 50 FFAA CCn1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cn1 328606744 STBSXVQPJCADQW-YLJYHZDGSA-N 364.453 2.902 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2nnc(C3CCC3)n2C)n1C 328628078 GXYJDWVWLBTLOH-MRXNPFEDSA-N 370.501 2.508 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)c2ccn3nnnc3c2)CC1 77437873 PIYWWDLZZNDHBL-UHFFFAOYSA-N 353.451 2.830 0 50 FFAA Cc1noc([C@H]2CCCN2C(=O)c2cccc(CC3CCNCC3)c2)n1 72161389 MAKLYDWKYXDNFW-GOSISDBHSA-N 354.454 2.897 0 50 FFAA COc1cccc(CN2CCN(c3cc(C)nc4c(C)c(C)nn34)CC2)c1 72477578 JHXWNPOOMMOFSR-UHFFFAOYSA-N 365.481 2.985 0 50 FFAA C[C@@H](c1cccc(CN2CCC(CO)(CN3CCCC3)CC2)c1)N(C)C 219540490 SDBAGASPZAEPFY-IBGZPJMESA-N 359.558 2.980 0 50 FFAA Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 126653628 QVOOPFGYBFBKJN-AEFFLSMTSA-N 355.482 2.717 0 50 FFAA Cc1nc(CCCn2ccnc2-c2cc3n(n2)CCCNC3)sc1C 72408562 ZSAYTZWMEQPBQB-UHFFFAOYSA-N 356.499 2.946 0 50 FFAA O=C(O)C1(Oc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1 77340258 YDGSYUZPXPVJQS-UHFFFAOYSA-N 373.800 2.509 0 50 FFAA CC1(C)Cc2cc(CN[C@H]3CCN(C(=O)c4cccnc4)C3)ccc2O1 370511751 AXHBZBWLMYMVPK-SFHVURJKSA-N 351.450 2.799 0 50 FFAA CCOC(=O)c1cccc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)n1 77388572 QTOYYIWXOUNQBT-FQEVSTJZSA-N 357.454 2.630 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCOCc1ccccc1)C2 219730425 JEJMUGFAGAGILE-INIZCTEOSA-N 357.454 2.666 0 50 FFAA COCCC(=O)N1CCC2(CC1)CN(C[C@@H](C)c1ccccc1)C(=O)O2 77321675 WSBSHJCPCRKJDC-MRXNPFEDSA-N 360.454 2.640 0 50 FFAA CCCN(C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C1CCNCC1 236847885 ZXEULGBUIMKFKE-QZTJIDSGSA-N 373.541 2.900 0 50 FFAA Cc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(Br)n1 128069851 HPXOSUSHAQKAHT-UHFFFAOYSA-N 358.199 2.986 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)c2ccccc2F)C1 72428216 ZAEFBTACZPARQJ-HNNXBMFYSA-N 371.460 2.570 0 50 FFAA O=C1CCCN1CCC1CCN(Cc2cnc(-c3ccccn3)nc2)CC1 77322927 XPMIEFRAKITPBU-UHFFFAOYSA-N 365.481 2.763 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)c1C 77423926 RJKXNFMYPPOLFH-INIZCTEOSA-N 366.425 2.768 0 50 FFAA COCCCN(C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 48441287 JHARIGGKNWRMFN-UHFFFAOYSA-N 364.449 2.967 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@@H]1C1CCC1 175961171 PXRWKAIQCPURAO-QGZVFWFLSA-N 363.483 2.924 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c(O)c1 82098160 UNCPXYFLUZVETO-CQSZACIVSA-N 354.406 2.587 0 50 FFAA CCc1nccn1CCC(=O)N1CC(=O)N(c2ccc(Cl)cc2)C[C@H]1C 82108045 RMZFJBOGRAVLKI-CQSZACIVSA-N 374.872 2.753 0 50 FFAA O=C1NCc2c(N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)cccc21 287104937 DXHBKLAPQZEAGQ-SFHVURJKSA-N 371.387 2.811 0 50 FFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC(Cc2ccccc2F)CC1 82126549 PDWMOFKDFBLCBC-HNNXBMFYSA-N 351.443 2.555 0 50 FFAA COC[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 175353444 OBDIRMNSDMZSCA-SNVBAGLBSA-N 365.329 2.844 0 50 FFAA CCc1ccccc1OC1CN(C(=O)c2ccccc2N2CCOCC2)C1 82092992 ZNJNJXROLLKHHC-UHFFFAOYSA-N 366.461 2.989 0 50 FFAA O=C(CCc1cc(Cl)no1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223169490 GPTZQAWVRJNCKU-HZPDHXFCSA-N 364.829 2.751 0 50 FFAA Cn1c(CC2CCNCC2)nnc1SCc1noc(-c2ccccc2)n1 82109399 MDYZTVXQMVPHDV-UHFFFAOYSA-N 370.482 2.700 0 50 FFAA CC(C)c1ccc(N2CC[C@@H](C(=O)Nc3nnc4ccccn34)C2=O)cc1 161036969 NMFYJGRKSBDRCA-INIZCTEOSA-N 363.421 2.844 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cn1 95369836 NUBZUCDNMDAGFX-QFBILLFUSA-N 366.465 2.841 0 50 FFAA CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 266043930 BRERAECDZKMDEI-KSSFIOAISA-N 361.438 2.980 0 50 FFAA CC(C)c1nnc(N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)s1 91439956 DILXAMLRVUEOGI-SFHVURJKSA-N 364.515 2.659 0 50 FFAA Cc1ccccc1CC(=O)N1CCC2(CC1)CC(=O)N(C[C@H]1CCCO1)C2 95358341 DJVDAVXVRVWBLM-LJQANCHMSA-N 370.493 2.558 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccc3nsnc3c1)C2 97551432 OQPVDWOTYCTPDI-CYBMUJFWSA-N 355.419 2.567 0 50 FFAA COCCN1CC[C@@H](C(=O)N(Cc2ccccc2)Cc2scnc2C)C1 97819522 HCBGOIOWHPIHGM-GOSISDBHSA-N 373.522 2.949 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2nn(C)c3c2CCCC3)C1 91382116 CUSCMQLARIATRF-FQEVSTJZSA-N 359.470 2.962 0 50 FFAA CCCN1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(F)cc2F)CC1 95520766 JXWCGGBOBUZLHL-KRWDZBQOSA-N 354.397 2.719 0 50 FFAA COCc1nc(N[C@H]2CCN(Cc3ccccc3)C2)cc([C@H]2C[C@@H](N)C2)n1 244707998 KLQSKZNEAQIBDH-KSZLIROESA-N 367.497 2.514 0 50 FFAA Cc1cc(O[C@H](C)C(=O)N(CC(=O)O)C2CCOCC2)ccc1Cl 299748743 IAUXOABDXFXKJR-GFCCVEGCSA-N 355.818 2.508 0 50 FFAA Cc1ccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)cc1 252445443 DMRAQLJKUMQEOL-GOSISDBHSA-N 366.596 2.712 0 50 FFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@H]3C(=O)O)s2)c(C)c1 299747293 CLTBMAZVNZEJST-AWEZNQCLSA-N 360.435 2.661 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1coc(-c2cccs2)n1 299746870 BMJUBHGPXPWESR-HNNXBMFYSA-N 368.414 2.984 0 50 FFAA CN(C)Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 299245247 ZAAKLUAJYRSZPD-FQEVSTJZSA-N 365.477 2.920 0 50 FFAA COC(=O)[C@@H](NC(=O)Cc1ccsc1)c1ccc(OC)c(Cl)c1 184587597 OHBRDXOEHSAQPZ-HNNXBMFYSA-N 353.827 2.983 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)N[C@H](C)c3nncn3C(C)C)[nH]c12 534585454 NUGDGEJBZKAKRF-CQSZACIVSA-N 369.473 2.989 0 50 FFAA Cc1cnc2c(C(=O)N3CCC[C@H](c4nc(CC(C)C)no4)C3)cnn2c1 65393891 LVTFOYWTYYEFLL-AWEZNQCLSA-N 368.441 2.639 0 50 FFAA O=C(COc1cccc(F)c1)N1CCC(Cc2noc(C3CC3)n2)CC1 299801928 ZACTZRCSKQBXDM-UHFFFAOYSA-N 359.401 2.946 0 50 FFAA Cc1cccnc1C[C@H](C)NC(=O)CCc1nc2ccccc2nc1O 299789371 YPFQITVRPQISIF-AWEZNQCLSA-N 350.422 2.719 0 50 FFAA O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1c[nH]nc1C1CCCCC1 299802913 SDUCYIOSAMDDFV-OAHLLOKOSA-N 352.438 2.993 0 50 FFAA CCc1nccn1CC1(CNC(=O)[C@@H](C)n2cnc3ccccc32)CC1 299759392 RKNPQLWDZMQQOE-OAHLLOKOSA-N 351.454 2.953 0 50 FFAA COc1ccc(NC(=O)N2CCOC3(CCN(C)CC3)C2)cc1Cl 646171343 DNHBFIWRGMESGF-UHFFFAOYSA-N 353.850 2.677 0 50 FFAA Cn1cccc1-c1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)n[nH]1 670469137 FMJLERKQCCCCSA-UHFFFAOYSA-N 354.801 2.875 0 50 FFAA CCNc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 1349509471 SXMMTWGJACMEGN-ZIAGYGMSSA-N 355.442 2.774 0 50 FFAA CN(CC[C@@H]1CCCCO1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 952988731 RUJUEVLFCWMTKK-ZDUSSCGKSA-N 374.462 2.985 0 50 FFAA COc1cc(OC)cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1 71297233 IKVAYRMOBGUORR-PXAZEXFGSA-N 350.422 2.911 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)nc(O)n1 952861513 CBPVWGXUQVBTRF-UHFFFAOYSA-N 351.410 2.596 0 50 FFAA O=C1NCCCC[C@H]1Oc1ccc(OCc2nnc3n2CCCCC3)cc1 278637468 LCVRBNLDRMMRIY-QGZVFWFLSA-N 370.453 2.631 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)CCO2)cn1 189222186 NCZDPGYUNUWYDU-HNNXBMFYSA-N 369.874 2.627 0 50 FFAA COc1cnccc1[C@@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 189674936 LWKYLIYOLATIHG-CYBMUJFWSA-N 353.422 2.859 0 50 FFAA CN(c1cccnn1)C1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 192216881 LTANCQKGCDUEAY-UHFFFAOYSA-N 365.359 2.631 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc(N)n1 1506397658 XCHPEOUKQZAKOB-KRWDZBQOSA-N 358.417 2.610 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)Nc1ccc2c(c1)OCO2 1506397434 TWVMFBYNQXYRDJ-QGZVFWFLSA-N 353.422 2.936 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCCN(Cc2ccc(Cl)o2)CC1 1529167381 LAQFNVFPNQXMBV-UHFFFAOYSA-N 358.776 2.873 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCN12 1529112544 MSHMSHYYOQMPNI-JKSUJKDBSA-N 359.445 2.941 0 50 FFAA CN(C)C(=O)c1cccc(N2CCC3(CC2)OCCc2sccc23)n1 1704327396 CGTCEPCYTZEENT-UHFFFAOYSA-N 357.479 2.913 0 50 FFAA COc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc(OC)c1 5388287 AWTJKIWEGVPVSH-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA O=C(NCc1ccncc1)c1cn(Cc2ccccc2C(F)(F)F)nn1 11667961 KWERMUQUAYWNAS-UHFFFAOYSA-N 361.327 2.670 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)CCN2CCCC2=O)C1 12301064 GFIBYYBTGKEAKR-OAHLLOKOSA-N 372.513 2.916 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1=O 12447969 QCSIEJCIXFKWFE-NRFANRHFSA-N 355.482 2.761 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3ccc(OC)c(C)c3C)C2)C1=O 15062728 QNBHAVFESWUZFI-OAQYLSRUSA-N 360.498 2.773 0 50 FFAA COC(=O)c1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)cc1 15071201 JWTKAHJXZDPJHH-UHFFFAOYSA-N 356.382 2.760 0 50 FFAA Cn1cc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cn1 1857668587 CAOHLMWOUOUKHC-CYBMUJFWSA-N 373.844 2.748 0 50 FFAA CC[C@@]1(C(=O)NCc2cccc(O)c2)C[C@@H]2CC[C@H]1N2C(=O)CSC 1857709758 PSHZHQFHOYSYIC-ZSZQSSIHSA-N 362.495 2.531 0 50 FFAA Cc1c(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)[nH]c2ccc(F)cc12 1857736254 HIURMPGYXNAQEM-MPGHIAIKSA-N 359.445 2.843 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc(Cl)cn1 1857737987 MHPKUBAMXRJJHC-SOLBZPMBSA-N 357.841 2.679 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2COc3ccccc3C[C@]2(CO)C1 247969793 SALZHSTXTZDSSE-WIYYLYMNSA-N 353.466 2.788 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1ccc2nnc(C(C)(C)C)n2n1 377148323 BFHDUARPNYPSHS-CABCVRRESA-N 363.469 2.980 0 50 FFAA Cc1cccc(C)c1N(C[C@H](C)N(C)C)S(=O)(=O)c1cncc(F)c1 864096879 QTCKASUNDGUEGH-HNNXBMFYSA-N 365.474 2.983 0 50 FFAA CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1sccc1Br 128357609 PVEGDSBYVJNZMP-SECBINFHSA-N 356.307 2.538 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)c(C)nn1 952849484 VRIFPOUQVDIFLH-CVEARBPZSA-N 354.458 2.601 0 50 FFAA O=C(NCc1nc(-c2cccs2)n[nH]1)N[C@@H]1CCc2cc(O)ccc2C1 1875265101 ADPFJVQUNILMLH-CYBMUJFWSA-N 369.450 2.596 0 50 FFAA CCOc1cccnc1S(=O)(=O)N1CCc2sc(Cl)cc2C1 1875299018 WAOUNSJLOUPESY-UHFFFAOYSA-N 358.872 2.942 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1 1875370946 JNIXCBZCNLUNFN-KKSFZXQISA-N 356.466 2.610 0 50 FFAA C[C@@H](C(=O)N1CCc2c(O)nc(O)nc2C1)c1ccccc1C(F)(F)F 1875307306 NCASLPHUJVERKS-SECBINFHSA-N 367.327 2.595 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2nc3c(s2)C[C@H](C)CC3)C1 1875379361 RGRUYMCXVWRNKZ-MCIONIFRSA-N 361.511 2.870 0 50 FFAA Cc1nc(Cl)nc(N2C[C@H](C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)c1F 1875407667 FQSBWWYWJYFJTK-XZUYRWCXSA-N 354.857 2.907 0 50 FFAA O=C(N[C@H]1C[C@H]2CN[C@@H](C2)C1)c1nccnc1-c1nc2ccccc2s1 877416953 OVFGMOJIHDSSIO-AVGNSLFASA-N 365.462 2.624 0 50 FFAA Cc1ccn2c(CN3CC[C@H](Oc4ccnc(CN(C)C)c4)C3)cnc2c1 886047308 MEWNRYJRQJCEQF-FQEVSTJZSA-N 365.481 2.753 0 50 FFAA C[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc2c(c1)NC(=O)CO2 2325723221 ZWDKDMQQNZFWSH-NSHDSACASA-N 369.450 2.725 0 50 FFAA CCn1nnc2c1CC[C@@H](C(=O)Nc1ccc(-n3cnc(C)c3C)cc1)C2 2325737332 UQUNOFIJXIEMAL-OAHLLOKOSA-N 364.453 2.844 0 50 FFAA O=C(c1ccc(NCc2ccnc3[nH]ccc23)cc1)N1CCC(O)CC1 2325748154 OXKZFESRPKRARD-UHFFFAOYSA-N 350.422 2.772 0 50 FFAA O=C(c1ccc(Cn2ccnn2)cc1)N1CCCNC[C@H]1c1ccccc1 2325779341 ZFJKWIBFAUJUPQ-FQEVSTJZSA-N 361.449 2.503 0 50 FFAA O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N[C@H]1[C@@H](O)[C@H]2CCC[C@H]21 2325782935 OAWHSGFHHHAROA-HRCDLGQHSA-N 364.445 2.949 0 50 FFAA Cc1ccc([C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2cnn(C)c2)C(=O)O)cc1 2325802872 BYXPMFSNIXOLHK-FHWLQOOXSA-N 369.465 2.814 0 50 FFAA Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)[C@H]2CCCN2S1(=O)=O 2325816229 CWNYYAODKKEOST-MRXNPFEDSA-N 350.484 2.652 0 50 FFAA CN(C)CCCC(=O)N(C)CCCN(C)Cc1ccc2ncccc2c1 2325867697 CURVBXDTZRMXHW-UHFFFAOYSA-N 356.514 2.857 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3nccc(C)n3)c2)C1 2325888670 OYTWXCUDFSDXMF-MRXNPFEDSA-N 350.422 2.815 0 50 FFAA O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 789952 ZMYUHWNQSIRLEL-UHFFFAOYSA-N 350.465 2.714 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1 822432 FMYCZWKBVIMWHI-UHFFFAOYSA-N 360.420 2.591 0 50 FFAA CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 1062985 ZWKIVRIAFHQNAD-UHFFFAOYSA-N 358.891 2.753 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 1065539 OUISBIZJDQQHEE-UHFFFAOYSA-N 355.799 2.921 0 50 FFAA COc1cc(NC(=O)CSc2nc(C)cc(C)n2)cc(OC)c1OC 1076113 BRVRFKLTWPDYHQ-UHFFFAOYSA-N 363.439 2.850 0 50 FFAA O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 1136950 LLLTVJFXNFUQCS-UHFFFAOYSA-N 359.234 2.910 0 50 FFAA O=S(=O)(c1ccc(Br)c2ccccc12)N1CCOCC1 1220096 AMPUCZLSAIJQQB-UHFFFAOYSA-N 356.241 2.623 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2SCCOC)C1 4196327 DRERGTGBGROLPQ-AWEZNQCLSA-N 351.468 2.840 0 50 FFAA COCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C1=O 4808135 WZDOECNUXLEBDS-UHFFFAOYSA-N 358.781 2.835 0 50 FFAA CC(C)Cc1nnc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)s1 100502100 WCOZJMYCSHNYNB-UHFFFAOYSA-N 358.423 2.546 0 50 FFAA COc1ncc(CN(Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 55071286 TUZCDNIMPVZGLY-UHFFFAOYSA-N 364.405 2.811 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(C/C(C)=C/c3ccco3)C2)CC1 23375016 OZZRPBKEXVFHJK-UMADGWCESA-N 361.486 2.921 0 50 FFAA Cc1ncc2c(c1-c1noc(C3CCC3)n1)CCN(c1ccnc(N)n1)C2 20535778 IKJZZRIEEZPOGQ-UHFFFAOYSA-N 363.425 2.642 0 50 FFAA CCCCC(=O)Nc1ccc(NC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 55255673 FKVCVQLHEQFWSE-CYBMUJFWSA-N 350.440 2.702 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)Cc3ccon3)C2=O)cc1 67726241 FFTGZZBUIXUKGV-OAQYLSRUSA-N 371.481 2.784 0 50 FFAA O=C(NCCOc1ccccc1)c1cc(COc2cccc(F)c2)[nH]n1 67727468 XYYOBIPOCRXCGM-UHFFFAOYSA-N 355.369 2.937 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@]2(C)CC(C)=NO2)CC3)c1 67542121 VDVJZUTWXOFFDS-LJQANCHMSA-N 354.410 2.525 0 50 FFAA COCCN(C)Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1 67855854 PPXAMIKOOWEVIK-UHFFFAOYSA-N 350.422 2.577 0 50 FFAA NCC(=O)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67773517 MZCUSUBTMHRUNH-UHFFFAOYSA-N 354.431 2.954 0 50 FFAA O=C1NCCN(C(=O)c2cn[nH]c2-c2cccs2)[C@H]1c1ccc(F)cc1 20453970 QJOGUZTZHVLCNX-INIZCTEOSA-N 370.409 2.591 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3csc(C)n3)cnn2c1 67673876 ONAGJVUESJSMRP-GFCCVEGCSA-N 372.498 2.827 0 50 FFAA COC(C)(C)CNc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cn1 20999641 NMAPMTMVHYAWRS-MRXNPFEDSA-N 371.485 2.667 0 50 FFAA CCSc1nnc(NC(=O)Cn2cc(Br)c(C)n2)s1 2781186 CXPOUGZZYJLEQL-UHFFFAOYSA-N 362.278 2.556 0 50 FFAA COC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(=O)C2CC2)c1 4050704 YQWQQNJXMUQBSQ-UHFFFAOYSA-N 373.430 2.963 0 50 FFAA Cc1cc2c(N3CCC[C@@H]3c3nc(C(=O)NC4CC4)no3)ncnc2s1 328625084 KKBLAHFMYSHPMQ-GFCCVEGCSA-N 370.438 2.616 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2nccc(C(F)(F)F)n2)cn1 328624746 KDNLGGXGJCQLKL-MFKMUULPSA-N 354.336 2.984 0 50 FFAA CCc1onc(C)c1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328627552 MWMYGFAJBQTHCF-OAHLLOKOSA-N 370.453 2.834 0 50 FFAA OCCNc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 71749244 NKPOMKKTNQDJKB-CQSZACIVSA-N 369.252 2.766 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77489069 DLFCHEHYFRIFEN-MRXNPFEDSA-N 362.445 2.846 0 50 FFAA C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(-c3ccccc3)nn2)C1=O 150845613 DYNQAJLDUWHKRH-AWEZNQCLSA-N 374.400 2.896 0 50 FFAA COc1cccc(CN2CCC[C@@H](NC(=O)Cc3c(C)noc3C)C2)c1 12576202 OIERATOQPJDIEX-QGZVFWFLSA-N 357.454 2.623 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 363659301 IBZWVBFIOLSFPN-KGLIPLIRSA-N 365.905 2.833 0 50 FFAA Oc1c([C@H](c2ccc(F)c(Cl)c2)N2CCOCC2)sc2ncnn12 218513067 FMYHXYWCWHSJFX-LBPRGKRZSA-N 368.821 2.711 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCCc3cc(C)no3)C2)c1 375923388 ULUWOVICBBDTGP-KRWDZBQOSA-N 369.465 2.811 0 50 FFAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 155649263 FDZXDVUCLCXGJB-GOSISDBHSA-N 366.417 2.887 0 50 FFAA c1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ccn1 72159141 BLJVBYYSCMRZQZ-VLCRHTCISA-N 363.461 2.873 0 50 FFAA O=C(NCC[C@H]1CCCNC1)c1csc(-c2ccc3c(c2)OCO3)n1 237887398 KFXCYYPIVWTZSC-GFCCVEGCSA-N 359.451 2.658 0 50 FFAA COCc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)o1 72468411 SDLKUXQHOGUEST-UHFFFAOYSA-N 359.378 2.564 0 50 FFAA CCc1c(C)cc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)c(=O)n1C 77470987 YGWUPRBWVRPYKN-KRWDZBQOSA-N 367.493 2.915 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 72139320 ODJLHDOQKHRWSC-INIZCTEOSA-N 369.465 2.853 0 50 FFAA COc1nc2c(cc1CNC(=O)CC(F)(F)F)C(=O)N(C1CCCC1)C2 71681250 PQYNQARIJODLIC-UHFFFAOYSA-N 371.359 2.557 0 50 FFAA OCCN1CCC[C@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1 72170564 JYIXUIBRRNCINY-OAHLLOKOSA-N 369.444 2.652 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2cccc(O)c2)C1 72436076 ILXIXKBUULCNLA-SFHVURJKSA-N 369.513 2.886 0 50 FFAA Cc1cc(NC[C@H](c2cccnc2)N2CCOCC2)n2nc(C)c(C)c2n1 72473509 PVCWNJWHUXAHAY-GOSISDBHSA-N 366.469 2.535 0 50 FFAA Cc1nn(CC(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)c(C)c1C 48115518 MNTDYHQHKQMCPB-UHFFFAOYSA-N 358.490 2.561 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CCc3ccccc3O2)n1 221354461 HKPJOYRBNWQZJP-CQSZACIVSA-N 365.355 2.856 0 50 FFAA CSc1ccccc1C(=O)N1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426434820 HQBNLFWRNUWZRU-CYBMUJFWSA-N 359.451 2.709 0 50 FFAA Cc1ccc(NCCCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc1 222681960 YWQAPAJPYKLIQR-OAHLLOKOSA-N 370.428 2.500 0 50 FFAA COc1ccccc1CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 20203748 BBUHGHHCYPPQJJ-RTWAWAEBSA-N 352.478 2.864 0 50 FFAA O=C(Cc1noc2ccccc12)NCc1csc(-c2ncccn2)n1 220644547 FCYAHXACTQDXFM-UHFFFAOYSA-N 351.391 2.600 0 50 FFAA CC[C@H](C(=O)N[C@@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2 20607676 QFPZIGBTPFNKJJ-GXFFZTMASA-N 369.391 2.953 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(OC)cc1OC)C2 91306196 VMKWNOHQQWTVIX-UONOGXRCSA-N 361.442 2.569 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3cnn(-c4cccc(F)c4)c3)C2)N1CC1CC1 91494172 BFCFPOSSZGVQGY-FXAWDEMLSA-N 368.456 2.844 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@@H]3CCCN(C4CCCC4)C3)C2)c1 95354989 QARGEEGAMWDHBP-MRXNPFEDSA-N 358.482 2.939 0 50 FFAA NC(=O)Cn1ccnc1C1CCN(c2nc(-c3ccccc3)cs2)CC1 96132688 ZZGCKDXFEPZBLX-UHFFFAOYSA-N 367.478 2.876 0 50 FFAA Nc1nnc(CCn2cc(-c3ccc([C@@H]4CCCCO4)s3)nn2)s1 91288897 NNIRDZYIKUYTIC-NSHDSACASA-N 362.484 2.925 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)NC[C@@H](C)n1nc(C)cc1C 96139693 METSTEGAFNNHFX-OAHLLOKOSA-N 357.458 2.561 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cnc(-c2ccncc2)nc1 95358056 PLWPRLOIPFIGSH-IBGZPJMESA-N 370.416 2.906 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cc(-c2ccc(O)cc2)n[nH]1 91676732 ODRIGPYVUZDOIV-UHFFFAOYSA-N 369.450 2.769 0 50 FFAA O=C(NCc1ccc(-c2ccccc2)cc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 426551382 UNPGOIWSMAVGTC-SFTDATJTSA-N 365.477 2.704 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@H]1C(=O)O 91625286 JZVPNUNJGCVIND-DLBZAZTESA-N 356.422 2.591 0 50 FFAA COCc1c(C(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)noc1C 91365018 QSPSRACGFKKMSJ-CYBMUJFWSA-N 360.410 2.776 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NCCCc1scnc1C)CC(=O)N2 91663309 ZUFAUPJOLCTHBQ-CQSZACIVSA-N 359.451 2.635 0 50 FFAA CN(CCc1ccccc1)C(=O)CN1C[C@H](Cc2ccccc2)CC1=O 95520010 BLWVOYXAARRTLU-HXUWFJFHSA-N 350.462 2.779 0 50 FFAA Cc1sc2nc(CNC(=O)[C@@H]3Cc4ccccc4CN3C)cn2c1C 244678748 IJDVUTNMJZYBKB-KRWDZBQOSA-N 354.479 2.686 0 50 FFAA O=C(CCN1CCC(O)(c2ccccc2)CC1)Nc1ccsc1C(=O)O 244601777 DRPIASSFWSLVIO-UHFFFAOYSA-N 374.462 2.759 0 50 FFAA CCC1=NO[C@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1 534640774 DJGPVAYQBKCIES-KRWDZBQOSA-N 369.421 2.763 0 50 FFAA CC(C)C[C@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1ncnn1C 534669299 XTBCFEPPBAIDDN-SFHVURJKSA-N 370.501 2.824 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCc2cn3ccccc3n2)cn1 824835213 VRNORNBZVYJVFK-UHFFFAOYSA-N 361.405 2.501 0 50 FFAA CNC(=O)CCC(C)(C)NC(=O)N1CCN(c2ccccc2C)C[C@H]1C 584896144 YMLCCZHXTFOWGY-MRXNPFEDSA-N 360.502 2.520 0 50 FFAA O=C1C[C@H](CNS(=O)(=O)Cc2cccc(Cl)c2)CN1C1CCCC1 670437951 WOLQNVMGPODWHV-CQSZACIVSA-N 370.902 2.551 0 50 FFAA COc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)CCCC2)cc1 75962343 JURRSJRLFOYBSL-WBVHZDCISA-N 356.466 2.586 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 885939124 SYDWNVIITPXVIA-UHFFFAOYSA-N 364.449 2.873 0 50 FFAA COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCc2cc(F)cc(C)c2C1 407953328 AYOKCMAFKBIUEN-NVXWUHKLSA-N 369.458 2.554 0 50 FFAA C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cnc(O)c(Br)c2)C1 408221614 JHHQJNODMKSPLT-QFYYESIMSA-N 371.275 2.857 0 50 FFAA NC(=O)c1cc([C@@H]2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)n[nH]1 271362117 IRZBEWFEJWURMY-MRVPVSSYSA-N 373.766 2.960 0 50 FFAA CC1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)O)c2)CC1 753262 MZCGRCDKTRZYAU-UHFFFAOYSA-N 362.245 2.568 0 50 FFAA O=C1CO[C@H](C(=O)N2CCC3(CCCCCC3)C2)[C@@H](c2ccccc2)N1 1529114680 SKJNWMWYGRDPDU-MOPGFXCFSA-N 356.466 2.816 0 50 FFAA Cc1nn(C)cc1NC(=O)CN(CCc1ccccc1)Cc1cccnc1 1529182603 VRWJGRRNEHKTMZ-UHFFFAOYSA-N 363.465 2.807 0 50 FFAA Cc1sc2nc(CCNc3cc(OC(C)C)nc(N)n3)nc(O)c2c1C 1529095725 VCNFAMOKYHELPW-UHFFFAOYSA-N 374.470 2.828 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cc1O 1704329007 RBRCLFSOUWNYDD-DYESRHJHSA-N 362.429 2.924 0 50 FFAA Cc1cc(Cl)ccc1C(=O)N1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1704299400 PHRDRZHXGDMUBN-QAPCUYQASA-N 350.846 2.660 0 50 FFAA CC(C)C1=NO[C@@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 12197172 ZFPLPYCYXQHPMU-GOSISDBHSA-N 363.421 2.838 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCCC1)C2)c1ccco1 12282081 GFZDBOIZNPMRTH-NSHDSACASA-N 373.434 2.746 0 50 FFAA COCCCn1ccc2c(cnc3nc(-c4ccccc4Cl)nn32)c1=O 12321640 GSDIVJYHWOTUNA-UHFFFAOYSA-N 369.812 2.796 0 50 FFAA O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC(F)(F)F 12326741 OYCRGLRKHYYQJF-HNNXBMFYSA-N 362.779 2.990 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCn3cncn3)C2)cc1 12713641 YEOLDMHNPZZQLM-HXUWFJFHSA-N 369.513 2.648 0 50 FFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCCC(C)C)C2 14539544 JTGHIDHERXWYDF-QGZVFWFLSA-N 369.513 2.721 0 50 FFAA O=C(NC(C1CC1)C1CC1)c1coc(COc2ccc3c(c2)OCO3)n1 14947740 HLMLZQHESFJQSL-UHFFFAOYSA-N 356.378 2.901 0 50 FFAA Nc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(Br)cc1 17070354 BLJWNYOFVKUFID-UHFFFAOYSA-N 372.226 2.542 0 50 FFAA c1ccc(C[C@@H]2CN(C3CCN(Cc4cccnc4)CC3)CCO2)cc1 19335396 WNMMAJRDSIVOAV-JOCHJYFZSA-N 351.494 2.990 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@H]2CN(C)C(=O)CO2)s1 1857688080 SGNLCSOXFGLMND-CQSZACIVSA-N 368.462 2.839 0 50 FFAA Cc1nc(-c2cccc(C(=O)N[C@H]3CCCc4c3c(C)nn4C)c2)no1 1857681075 XBYQGHCBIVNKFN-HNNXBMFYSA-N 351.410 2.894 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)C3CCOCC3)C1)CC2 1857695376 HEXXFJLUUNGXLY-NRFANRHFSA-N 373.497 2.713 0 50 FFAA CCCCc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CCO3)cc1 1857736870 PGFQHXGYKXISIV-UHFFFAOYSA-N 358.482 2.883 0 50 FFAA COc1cc(CC(=O)Nc2n[nH]cc2-c2ccccn2)cc(OC)c1OC 1875245787 RCPJAEMUZJDEGN-UHFFFAOYSA-N 368.393 2.679 0 50 FFAA Cn1c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(Cl)c2ccccc21 111077813 HPKHEUZLPNBSLH-CYBMUJFWSA-N 358.829 2.569 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2c2nc3cc(F)ccc3o2)n1 328635432 USOKOKWXYCRRPZ-LBPRGKRZSA-N 357.345 2.584 0 50 FFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@@H]1CCc2nncn2C1 329179427 NKUPKQOUIKUXPJ-INMHGKMJSA-N 354.454 2.849 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3C(=O)O)n2)cc1F 136531413 CHMYISRPONROKI-CQSZACIVSA-N 361.373 2.582 0 50 FFAA COC1(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CCC1 252503107 UYLNPDIWBYHOAJ-UHFFFAOYSA-N 354.472 2.613 0 50 FFAA C[C@@H](c1nccn1-c1ccccc1)N1C(=O)N[C@@H](CC2CCOCC2)C1=O 924879963 BGBDQCZYUGQCCI-YOEHRIQHSA-N 368.437 2.670 0 50 FFAA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@@H]1COc2ccccc21 874597579 QWFZTMUSVNGSSD-NVXWUHKLSA-N 352.390 2.646 0 50 FFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(c2cccc3cc[nH]c23)CC1 1875270361 QIXLIBMOVFBKSL-GOSISDBHSA-N 368.481 2.511 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)C1 1875371823 MSXISKUJTUIRDG-SFDCACGMSA-N 354.859 2.748 0 50 FFAA Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cncc(S(C)(=O)=O)n2)cc1 1875369677 AWXIKXZLMFQZTP-KBXCAEBGSA-N 373.478 2.802 0 50 FFAA CCCOc1ncccc1CNC(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875401827 SZPTZUAXJOYKIY-QWHCGFSZSA-N 358.442 2.556 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(C(=O)C/C=C/c3ccc(F)cc3)C2)n1 888078394 NLFVVACIQZTAOR-GVTIMSHASA-N 359.401 2.517 0 50 FFAA COCCn1c(-c2nnc([C@H]3CN(C)C[C@@H](C)O3)o2)cc2ccccc21 888079026 XVPCXFJVFWQKKQ-CXAGYDPISA-N 356.426 2.729 0 50 FFAA O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1cnn([C@@H]2CCOC2)c1 131908519 DGPLQYITVRMPKP-CYBMUJFWSA-N 374.422 2.664 0 50 FFAA COC(=O)c1cc(C(=O)OC)c(-c2ccccc2)c(-n2ccc[n+]2C)c1 639902 GMEYLDKEGKRTJT-UHFFFAOYSA-N 351.382 2.542 0 50 FFAA Cc1cc(Br)c(S(=O)(=O)NCc2ccccn2)cc1C 1142335 OEMJLRKBDZMUTG-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA CCCN1CCC[C@]2(CCCN2Cc2nn[nH]c2-c2ccccc2)C1=O 2356151681 UEAFFLGKOSGPBO-FQEVSTJZSA-N 353.470 2.839 0 50 FFAA Cc1ccc(S(=O)(=O)c2nc(NCCN(C)C)sc2Cl)cc1 4318461 FEDFHWHLGXWKBQ-UHFFFAOYSA-N 359.904 2.911 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(Cl)c1 4702826 RBRJBWWMUKFSAA-IHRRRGAJSA-N 356.253 2.721 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCCCCC1)Cc1ccccc1 4866816 ANIQPDFAALOINS-UHFFFAOYSA-N 352.500 2.677 0 50 FFAA COc1ccc(CC(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)cc1OC 4866849 GNSAWCHPDKOPJO-DJJJIMSYSA-N 357.406 2.591 0 50 FFAA O=C1CCc2cc(S(=O)(=O)NC3C4CC5CC(C4)CC3C5)ccc2N1 7704290 HSFMJHXRLXHJGZ-UHFFFAOYSA-N 360.479 2.674 0 50 FFAA Cc1c(C(=O)Nc2ccc(C(N)=O)cc2F)nnn1-c1ccccc1Cl 225435571 QQFANDSINFNQOA-UHFFFAOYSA-N 373.775 2.719 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 55357709 NGSMZEYUEIBCQS-CQSZACIVSA-N 350.484 2.541 0 50 FFAA O=C(CC1CCCCC1)NCCNC(=O)c1ccc2nc(S)oc2c1 118783578 IHYSLJPIELMQGD-UHFFFAOYSA-N 361.467 2.933 0 50 FFAA COc1ccc(C)cc1NC(=O)CN1CCN(c2ccccc2F)CC1 55565650 LXLLBCDJEITFLG-UHFFFAOYSA-N 357.429 2.903 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)NCc3cccnc3-n3ccnc3)oc2c1 67934356 SGOUQTGZAPGBEA-UHFFFAOYSA-N 360.373 2.612 0 50 FFAA COc1ccc([C@H]2CC(=O)NCc3nc4ccccn4c32)c(OC)c1C 65403364 GVAITUFEXYOYKG-CQSZACIVSA-N 351.406 2.812 0 50 FFAA O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)c2csnn2)CC1 330792579 UXSBKPOMJDRUKC-UHFFFAOYSA-N 355.341 2.691 0 50 FFAA CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(CC)CC1)n2C 20706687 SKSPFDHKYCYFCV-UHFFFAOYSA-N 357.502 2.840 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cccc(CN)c3)CC2)cs1 252498577 RFFHLSMMPUQTKZ-UHFFFAOYSA-N 358.511 2.552 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)NCCc1noc([C@H]2CCCO2)n1 216080525 FBGSVMSZKRMCES-MRXNPFEDSA-N 354.410 2.694 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3c(Cl)cnn3C)CC2)OC1=O 77470572 NKMULZOCMBXYIA-LBPRGKRZSA-N 368.865 2.689 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)[nH]n1 72432531 FMJPIOSOIRVOSH-UHFFFAOYSA-N 357.410 2.672 0 50 FFAA O=C(c1ccccc1O[C@@H]1CCN(Cc2ccccc2)C1)N1CCOCC1 71769297 GPFOPIMCMNEDIZ-LJQANCHMSA-N 366.461 2.812 0 50 FFAA CC(C)c1nnc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)o1 328649818 VEANXONSCIRFCZ-STQMWFEESA-N 353.467 2.694 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)CSc3nc(C)cc(=O)[nH]3)cc2c1C 71419575 NRDNQACZMGPZAH-UHFFFAOYSA-N 370.478 2.839 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cc2c([nH]c1=O)CCCC2 77520278 FKJXHIBSJZMFLE-MRXNPFEDSA-N 365.477 2.852 0 50 FFAA CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1 6953340 VSECGDYDZFHYRH-GFCCVEGCSA-N 367.496 2.651 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccc3n2n1 71754878 KPZXGRMVXQWAOL-UHFFFAOYSA-N 358.814 2.507 0 50 FFAA Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)N[C@@H](C)c2ccccc2)c1 124294416 WGZXFJRMTLJELP-INIZCTEOSA-N 350.422 2.528 0 50 FFAA COc1ccc(CN2CCN(Cc3cccnc3)C[C@@H]2CCO)c(C)c1C 77387152 BNKSKYJEIVIHOO-NRFANRHFSA-N 369.509 2.776 0 50 FFAA O=C(CCn1c(S)nnc1-c1cccs1)NC[C@@H]1CCCS1 155066230 LDCLTGYMTLLSQH-JTQLQIEISA-N 354.526 2.697 0 50 FFAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cccc(=O)n4C)C3)nc2c1 155784633 BSHVMCMITHJPNI-CQSZACIVSA-N 350.422 2.590 0 50 FFAA O=C(NCc1ccc(F)c(Cl)c1)c1cn(CC[C@@H]2CCCCN2)nn1 77553648 COMCTAZTDQOORG-ZDUSSCGKSA-N 365.840 2.533 0 50 FFAA Cc1nn(CCO)cc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72425823 FIGRWXRQOPQFGU-FDFHNCONSA-N 369.509 2.836 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2cnoc2C)[C@@H]2C3CCN(CC3)[C@H]12 72154266 PYGFACLXTJJMJT-DFQSSKMNSA-N 367.449 2.694 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccnc2ccncc12 369731079 HUONBRYFDVRZQY-MGPUTAFESA-N 350.470 2.883 0 50 FFAA CCCc1nc(C)cc(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)n1 72164796 UDBWTGBVZUFDEN-KRWDZBQOSA-N 350.466 2.918 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCC[C@H](c3cc(=O)[nH]cn3)C2)cc1 72476445 CIASVWNSSYWGQU-SFHVURJKSA-N 355.482 2.853 0 50 FFAA Cc1nc2ccc(CNC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)cc2[nH]1 218953229 VEVAXEORTIYORM-CQSZACIVSA-N 366.396 2.680 0 50 FFAA O=C1C[C@H]([C@H]2CCCCN2C(=O)Cc2cccc(OC(F)(F)F)c2)CN1 131199101 JUOPQXSULQQDFD-DZGCQCFKSA-N 370.371 2.645 0 50 FFAA COCc1nc(NC[C@H](c2sccc2C)N(C)C)c2cnn(C)c2n1 72126643 FHDCASKDDPGESP-CYBMUJFWSA-N 360.487 2.594 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)CCCn4cncn4)CC3)nc12 82162040 ZUFQVYAVIZEKML-UHFFFAOYSA-N 352.442 2.649 0 50 FFAA CNC(=O)c1ccc(NC(=O)Nc2ccc3oc(COC)nc3c2)cc1 176977658 KCRJHOOJUDARIK-UHFFFAOYSA-N 354.366 2.978 0 50 FFAA COC(=O)c1cc(OC)ccc1-c1cccc(C(=O)N2CCNC[C@@H]2C)c1 426422035 TZPVYIQHSGGADM-AWEZNQCLSA-N 368.433 2.583 0 50 FFAA COC[C@@H]1CCCN1C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 426693788 PESCWQOOBUKOMD-LBPRGKRZSA-N 370.375 2.913 0 50 FFAA CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(-c3nc(C)cs3)c2)CC1 178163852 RINDJVRWKPKPGK-AWEZNQCLSA-N 373.478 2.577 0 50 FFAA Cc1ccc(CNC(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)cc1C 426668320 LRKYGJVLEZRAOU-IBGZPJMESA-N 366.465 2.689 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2C1 82135237 SMFJDHHABIOSFS-QGZVFWFLSA-N 370.497 2.829 0 50 FFAA CC(C)c1csc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)n1 222381784 OXPCZNOLKKXRHU-UHFFFAOYSA-N 350.488 2.677 0 50 FFAA CSCc1noc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)n1 426715916 MDZGNAJMHAXEKS-OAHLLOKOSA-N 372.494 2.571 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cccc(N2CCOCC2)c1 95392225 WBZLVSMVXMPZQQ-QGZVFWFLSA-N 366.461 2.894 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@H](C)N1CCCC1=O 97172829 GORSDHAAWPFVEY-HNNXBMFYSA-N 357.479 2.991 0 50 FFAA Cn1cccc1-c1cc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)n[nH]1 91574915 ZVCOJRDVQPDFBI-GOSISDBHSA-N 360.421 2.783 0 50 FFAA Cc1nccn1CC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 91596059 CZGQQNDORZNGFZ-FQEVSTJZSA-N 355.438 2.792 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccccc1SC)CCN2C 91819479 CUUGCSUMTSABAE-FQEVSTJZSA-N 361.555 2.927 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1CCOc2ccccc2C1 95504765 YPHLTUCKLHDJBZ-AWEZNQCLSA-N 367.371 2.968 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)N1CC[C@@]2(CCCNC2=O)C1 91985823 XSKLIWAJQVIEOD-BTCBHJBXSA-N 362.539 2.817 0 50 FFAA Cc1ccc([C@@H]2CN(Cc3cccc(OCCO)c3)C[C@H]2N(C)C)cc1 95504308 SSQCARSRKORDTG-FCHUYYIVSA-N 354.494 2.896 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)NCc2csc3c2CCCC3)cc1 97655509 OGISRSFPPYHPKE-UHFFFAOYSA-N 367.478 2.900 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc(OC)c(F)c1F)C2 95509032 SAFUYWUHYWVGPE-CYBMUJFWSA-N 363.360 2.850 0 50 FFAA Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc3nc(O)ccc3c2)o1 268272951 PEPPPUUNCMUWFL-INIZCTEOSA-N 374.418 2.604 0 50 FFAA CCc1c[nH]nc1C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 67447025 ZCTAIWFYCYYEAB-SFHVURJKSA-N 365.481 2.729 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cnc3c(c2)CCC3)c1C 299798294 XMBCBPWBNXIGDV-LBPRGKRZSA-N 354.454 2.854 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NCCN=c1cc[nH]cc1C 822534985 ITGPNNVJQKIHBF-UHFFFAOYSA-N 360.845 2.656 0 50 FFAA Cc1cc(C)cc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1 1565514859 JFGKXAPSLZRXQO-UNMCSNQZSA-N 356.510 2.889 0 50 FFAA CS(=O)(=O)CC1(CN2c3cccc4cccc(c34)S2(=O)=O)CCC1 270045441 FVGRRGUQYZJKRR-UHFFFAOYSA-N 365.476 2.563 0 50 FFAA CCC(CC)C1=NO[C@@H]2[C@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC 169668759 WYUYCGDXMIJIAZ-OSFYFWSMSA-N 354.447 2.880 0 50 FFAA CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(-n3cccn3)cc2)cn1 170601011 UOUYTCXSOVGMQP-UHFFFAOYSA-N 361.409 2.742 0 50 FFAA CSCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 188156238 KIHCUAOZBBHIRB-GOSISDBHSA-N 361.511 2.865 0 50 FFAA C[C@@H]1CN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 191868481 RHLPMWIZMJIEKA-CYBMUJFWSA-N 357.903 2.802 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)Cc1ncc(Br)cn1 926976545 RWPHPHBDYWNFQD-SECBINFHSA-N 366.263 2.731 0 50 FFAA Cc1cnccc1N1CCCN([C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 1506415433 NVBLGFDXKVAUCT-LJQANCHMSA-N 356.514 2.693 0 50 FFAA O=C(CN(Cc1ccncc1)C[C@@H]1CCCO1)N1CCc2ccccc21 1529118507 LPPHGNBGMIGCCB-IBGZPJMESA-N 351.450 2.652 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704280537 WBXIWWJPZOPVPB-UZLBHIALSA-N 374.444 2.578 0 50 FFAA Cc1nc(C)c(-c2nc([C@H]3CCCN(C)C3)nn2-c2cnn(C)c2)s1 1772815396 KSRLYQAOZQUEPG-ZDUSSCGKSA-N 357.487 2.550 0 50 FFAA CCS(=O)(=O)c1ncc(CN(C)CCCC2CCCC2)n1CCOC 11935115 ZQCHZPKXISBISZ-UHFFFAOYSA-N 371.547 2.725 0 50 FFAA O=C(NCc1ncc[nH]1)c1coc(COc2ccc(F)cc2Cl)n1 12433607 LRJOBDRQTKILSS-UHFFFAOYSA-N 350.737 2.699 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cnsn2)C1 12438306 NEVHGXOOYUQCDG-HNNXBMFYSA-N 374.510 2.573 0 50 FFAA Cn1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cn1 15066244 DHFVQGRZAOMZEK-LJQANCHMSA-N 364.453 2.599 0 50 FFAA Cc1ccc2ncnc(N3CCC4(CC3)Nc3ccccc3NC4=O)c2n1 1857670888 HUPFOHPOHWWTTA-UHFFFAOYSA-N 360.421 2.736 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)c3cc(C4CC4)no3)[C@H]3CC[C@]2(C1)O3 1857713161 GLGODXZPNKJXMN-LTVCHDBBSA-N 371.481 2.727 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)c1ccc(Br)cc1 237963733 OFVZEKGKGQKNJG-AAEUAGOBSA-N 356.216 2.508 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 238058229 BZMHHGOKGDMHSY-AWEZNQCLSA-N 359.451 2.588 0 50 FFAA CCOc1ccccc1C(=O)N1CCN(C[C@@H](O)CC2CCCC2)CC1 252480918 CGIRPPABYDAYKD-SFHVURJKSA-N 360.498 2.784 0 50 FFAA O=C(c1ccccc1Cl)N1CCC(N[C@@H]2CCc3nc[nH]c3C2)CC1 368096912 CQCKPUSYAWWWTJ-CQSZACIVSA-N 358.873 2.815 0 50 FFAA CN1C(=O)C[C@H](NC(=O)CCCCCCN)[C@H]1c1ccc(Cl)cc1 831497042 WYLGFNWNXGDGCW-MAUKXSAKSA-N 351.878 2.637 0 50 FFAA Cn1c(-c2cn[nH]c2)nnc1N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 858872029 OUPXGRTZLKFLHO-INIZCTEOSA-N 372.860 2.809 0 50 FFAA C[C@H]1CC[C@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)N1 1875278686 VPTZDIZZXFDEMI-GUYCJALGSA-N 366.421 2.728 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 1875367167 URWPVTXHCKHBOL-NSHDSACASA-N 360.845 2.818 0 50 FFAA CC1(C2(NS(=O)(=O)c3c[nH]c4ncc(Br)cc34)CC2)CC1 888101362 MFAOLZFWCVVETF-UHFFFAOYSA-N 370.272 2.936 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 4491352 UTNQSEXTGNYWIG-GOSISDBHSA-N 368.389 2.642 0 50 FFAA COC(=O)c1cnc2c(CN3CCO[C@H](c4cccs4)C3)cccn12 2325779280 UXSYUPKWDGDOOU-HNNXBMFYSA-N 357.435 2.756 0 50 FFAA COc1cc(-n2cccn2)ccc1CN1CCOc2ccc(N)cc2C1 2325790643 ZSMQAEUELWTOMI-UHFFFAOYSA-N 350.422 2.858 0 50 FFAA C[C@@](O)(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)C(F)F 2325821334 GCGCAFBTUGUIEN-LJQANCHMSA-N 357.360 2.988 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)NC(=O)N1 759149 JSJIRDHFNYDGJF-IAQYHMDHSA-N 350.802 2.690 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1cccc(F)c1 1145720 YJQCBZPTLPFLMG-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA O=C(c1ccncc1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356136184 JTWRQPGKSMEVOK-JOCHJYFZSA-N 363.461 2.922 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)N2CCc3ccccc3C2)cc1 2873156 UZAKTCJEVNQJLK-UHFFFAOYSA-N 372.490 2.502 0 50 FFAA CCOC(=O)NC(Nc1nnc(C)s1)(C(F)(F)F)C(F)(F)F 2937669 KSDYGSYPWCHQGP-UHFFFAOYSA-N 352.260 2.825 0 50 FFAA CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccs1 4036147 OMPHDCFEWYVTRE-HNNXBMFYSA-N 363.464 2.817 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)c2ccc(NC(=O)CC)cc2)n1 4814402 KVFHKZRLNGIAEO-UHFFFAOYSA-N 361.423 2.850 0 50 FFAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c(Cl)cc1OC 4810676 YCLAGGCMHFGIGE-CQSZACIVSA-N 354.790 2.548 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)s1 55361108 HCWBLLSXLVDDKZ-IBGZPJMESA-N 362.470 2.839 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c1C 413929102 DCANSVLDAUNYCN-JKSUJKDBSA-N 356.422 2.756 0 50 FFAA CC(C)(C)OC(=O)N1CCC(CCN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 225449311 MPASODSCSKTMKT-IBGZPJMESA-N 365.474 2.744 0 50 FFAA CN(C)C[C@@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 225471136 UQNSQXKARCEHBF-OAQYLSRUSA-N 362.477 2.876 0 50 FFAA CCOc1ccccc1OCCN(C)C(=O)c1c(C)nc2ncccn12 55053403 QRLRWOXFPFETBN-UHFFFAOYSA-N 354.410 2.587 0 50 FFAA COCCN(Cc1nccs1)C(=O)CC(=O)Nc1cccc(C)c1C 55325889 WPZYCFXFSULXCA-UHFFFAOYSA-N 361.467 2.764 0 50 FFAA CN1CCN(C)C2(CCN(C(=O)[C@]3(c4cccs4)CC3(C)C)CC2)C1 67739777 SXXXRTPWRANJFA-HXUWFJFHSA-N 361.555 2.654 0 50 FFAA CC[C@@H](C)C(=O)N1CCc2c(c(C(=O)O)nn2Cc2cccc(OC)c2)C1 67692553 GPOFUFXBEFIXLT-CYBMUJFWSA-N 371.437 2.569 0 50 FFAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc(F)c3)CC2)[C@H]1O 23153251 JVMWPDXVPBWYRA-UXHICEINSA-N 368.452 2.977 0 50 FFAA S=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccccc2Cl)CC1 20363943 PFIKZTWOPCEMSN-HNNXBMFYSA-N 353.919 2.511 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 11819342 GXSBEJIOLWAJIH-HNNXBMFYSA-N 352.438 2.911 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2C=CCN2)CCO3)s1 67771700 BRQYEDDAPYJOPP-HNNXBMFYSA-N 356.447 2.678 0 50 FFAA O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2sc(N3CCCC3)nc2CN1 65461560 LZHFTCIEGCBZCR-ZDUSSCGKSA-N 371.462 2.666 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(-n2ccnc2)c(F)c1 144335120 OWRHJFHYESTSLG-UHFFFAOYSA-N 355.417 2.611 0 50 FFAA Cc1ccc(Cc2nnn(CC(=O)N[C@@H](c3ccccc3)C3CC3)n2)cc1 252497687 QNACZPAXEVYFFQ-NRFANRHFSA-N 361.449 2.840 0 50 FFAA CCNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72478285 JMYMGLTWZVZBAZ-UHFFFAOYSA-N 370.840 2.976 0 50 FFAA COc1nccnc1N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72475139 HSNLSFGNQRAFKF-OAQYLSRUSA-N 366.465 2.894 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)[C@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 328624754 KEBWYKIKAVRZLH-IMFGXOCKSA-N 369.513 2.850 0 50 FFAA CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)CC(=O)O 6363869 JABNOCWCLLYHKE-CQSZACIVSA-N 351.399 2.878 0 50 FFAA COCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)no1 328623570 BXDFXIDMYUPBJN-STQMWFEESA-N 367.446 2.567 0 50 FFAA O=C(CCc1cccnc1)N1CCN(c2nc3ccccc3s2)CC1 72481521 JVOQSIQTZIBXSG-UHFFFAOYSA-N 352.463 2.973 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CCS[C@H]2COCC[C@H]21 124985713 ZHMYUESSABHURO-HIFRSBDPSA-N 361.492 2.508 0 50 FFAA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H](O)c1ccco1 123617433 UMFSPHVLVANLHK-CABZTGNLSA-N 371.220 2.555 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1Cl 36078816 YUGOLLBPPOKDAK-ZDUSSCGKSA-N 358.847 2.523 0 50 FFAA Cc1cccc2cc(C(=O)N3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)oc12 77488402 VMVZBGQXNOCGSL-NRFANRHFSA-N 370.449 2.578 0 50 FFAA O=C(O)C1(Oc2cccc(F)c2)CCN(c2ncnc3[nH]ccc23)CC1 72468755 HXCIVCYEUSCCNZ-UHFFFAOYSA-N 356.357 2.600 0 50 FFAA C[C@@H]1CN(C(=O)[C@H]2CCCc3sc(Nc4ccccc4)nc32)CCO1 333578571 QZRUNUQIVQUQQW-HIFRSBDPSA-N 357.479 3.554 0 50 FFAA Cc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)n[nH]1 72426133 DBAKMUPVEYYMBE-MAUKXSAKSA-N 358.511 2.835 0 50 FFAA Cc1cc(C(=O)NCCN2CCCC[C@@H]2CO)c2ccc(C)c(C)c2n1 77323654 JRFOETNIHUZHHL-QGZVFWFLSA-N 355.482 2.737 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2)OC1=O 72146725 OTTDYAQPTBVGMA-IBGZPJMESA-N 354.410 2.524 0 50 FFAA Cc1ccoc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72129150 ZVFHJQRCKAHJPY-IPMKNSEASA-N 352.434 2.996 0 50 FFAA CCc1cnc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)s1 173357094 XHHCJLRPTUIWCM-UHFFFAOYSA-N 366.531 2.540 0 50 FFAA CCc1ccc(CN(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)nc1 15064371 VWBXXBVETDUDGD-UHFFFAOYSA-N 352.442 2.501 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC[C@H](OCc2ccccn2)C1 82107011 WLDUGEPGPLWPDK-AWEZNQCLSA-N 360.435 2.736 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1nccn1Cc1ccccc1 81087804 ZKARMSNVXDGQJU-UHFFFAOYSA-N 365.481 2.873 0 50 FFAA O=C(Nc1cccc(-n2ccnn2)c1)N1CCCN2c3ccccc3C[C@@H]2C1 290568065 ZRKRSUUIKBQNSK-LJQANCHMSA-N 374.448 2.936 0 50 FFAA Cc1ccc2nc(CNC(=O)c3cnc(-c4cccs4)nc3O)cn2c1 91326384 PANAAWGAQAQBEK-UHFFFAOYSA-N 365.418 2.797 0 50 FFAA COc1ccccc1CN(C(=O)c1cc(=O)c(OC)c[nH]1)C1CCCC1 97243985 JNYVEOMCXOWPRO-UHFFFAOYSA-N 356.422 2.977 0 50 FFAA COc1cccc2c1OCCCN(C(=O)N[C@@H](C)CCn1cccn1)C2 426392714 FSZXWSCUHWMXPN-HNNXBMFYSA-N 358.442 2.665 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)c1cccc(-c2ncccc2F)c1 426387584 BWMZDJUSJSNMSN-UHFFFAOYSA-N 365.412 2.508 0 50 FFAA CN(C)S(=O)(=O)c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1 426667364 JWFXJQJNZYNXOZ-UHFFFAOYSA-N 361.467 2.558 0 50 FFAA COc1cc(OC)c(CN2CCC(Cn3cccn3)CC2)c(C(=O)O)c1 97532763 ZVQUDNHEJGZQLZ-UHFFFAOYSA-N 359.426 2.511 0 50 FFAA CCOCc1nc(-c2ccc(-n3cccn3)cc2)n(C2CCN(C)CC2)n1 91468792 IBHHPJQYIUJNMZ-UHFFFAOYSA-N 366.469 2.934 0 50 FFAA Cc1noc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)n1 95501833 CCCGHGFUVRQIMM-OAHLLOKOSA-N 360.433 2.826 0 50 FFAA Cc1c(NC(=O)NCCS(=O)(=O)CC(C)C)cccc1-n1cccc1 95516784 VQKUGYSUUVTWAL-UHFFFAOYSA-N 363.483 2.978 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2ccc3occc(=O)c3c2)CC1 95504379 PEEOJMHRHMSZAT-UHFFFAOYSA-N 359.382 2.535 0 50 FFAA COc1nc2c(cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c3ccccc3)C1)CCC2 91782299 QWDMKFIOWSEDAE-DLBZAZTESA-N 366.417 2.519 0 50 FFAA COc1ccc(-n2nc(C3CCCC3)nc2CN2CCC[C@@H](O)C2)cc1 96132803 YNDFAUQCPPYDOX-QGZVFWFLSA-N 356.470 2.890 0 50 FFAA O=C1C[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1cccnc1 96130549 PMKSIFFSCOXZNM-AWEZNQCLSA-N 360.377 2.524 0 50 FFAA Cc1ccc(-n2nc(C(=O)NCC3(C)CCNCC3)c3c2CCC3)cc1 183386596 YLZPMTYVUHGMSQ-UHFFFAOYSA-N 352.482 2.789 0 50 FFAA Cc1ccc(C(=O)N2CCN(C(=O)N[C@H](C)c3ccccn3)CC2)cc1F 299016247 OIENYHUOAFTYGY-OAHLLOKOSA-N 370.428 2.758 0 50 FFAA COc1cc2c(cc1OC)CN(CCOc1ccccc1C(=O)O)CC2 299742316 BDFUADOGTSRPMZ-UHFFFAOYSA-N 357.406 2.839 0 50 FFAA CCCn1cnnc1[C@H](C)NC(=O)N(C)Cc1cc(-c2ccccn2)no1 534647239 JUEQWHYLTXHGNY-ZDUSSCGKSA-N 369.429 2.641 0 50 FFAA COC(=O)[C@H](NC(=O)Cc1ccsc1)c1ccc(OC)c(Cl)c1 184587619 OHBRDXOEHSAQPZ-OAHLLOKOSA-N 353.827 2.983 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)Nc2ccc3[nH]ncc3c2)CC1 299794375 KKZOVFWIBQTUNP-UHFFFAOYSA-N 350.426 2.616 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN(C)Cc1ccc2nsnc2c1 299775932 LOFTYHFFALNKCH-UHFFFAOYSA-N 369.450 2.720 0 50 FFAA CCNC(=O)c1cc(NC(=O)CCCN2CCCCC2=O)ccc1Cl 952970945 XHRVIPMITZYROG-UHFFFAOYSA-N 365.861 2.821 0 50 FFAA Cc1c(C(=O)N2CC[S@](=O)C[C@H](C)C2)cnn1-c1ccc(Cl)cc1 277738760 XXSKYOIPTPYCHL-YYUOZPCZSA-N 365.886 2.675 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2)CC1 275893083 ZSOIZGJCDAXOCG-HXUWFJFHSA-N 352.482 2.667 0 50 FFAA CCOCc1cc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)ccc1OC 1615734247 CBPCGFVPJLLCQB-LPHOPBHVSA-N 360.454 2.564 0 50 FFAA Cc1cccc2nc([C@@H]3CCCN(C(=O)CCC4=NNC(=O)CC4)C3)[nH]c12 1506425864 GYFGORJRXRBHQW-CQSZACIVSA-N 367.453 2.624 0 50 FFAA COc1ccc(N2C[C@H](NC(=O)c3nc4c(s3)CCCC4)CC2=O)cc1 1506402514 JBPJHBDJRAIVKO-GFCCVEGCSA-N 371.462 2.566 0 50 FFAA COc1ccc([C@]2(C(=O)NCc3[nH]nc4ncccc34)CC2(C)C)cc1 1772811301 VORRJZCTRSIVAZ-FQEVSTJZSA-N 350.422 2.951 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 5050977 CQQPBQCAKBLJCA-INIZCTEOSA-N 360.479 2.508 0 50 FFAA O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(C(F)(F)F)c1 5673252 FYRRXGFVNGCHMG-UHFFFAOYSA-N 363.299 2.699 0 50 FFAA C[C@@H](Cc1cccnc1)NC(=O)c1cn(Cc2ccccc2Cl)nn1 12434778 MTXBGLBTCREUEH-ZDUSSCGKSA-N 355.829 2.736 0 50 FFAA CC(C)C[C@H](NC(=O)c1csc2nc(-c3ccccc3F)cn12)C(N)=O 12434065 PFEKIGBJNDZHPT-ZDUSSCGKSA-N 374.441 2.832 0 50 FFAA COc1ccc(-n2c(CNC(=O)Cc3ccsc3)nnc2SC)cc1 12726547 MGPQZZWLYZGLJI-UHFFFAOYSA-N 374.491 2.918 0 50 FFAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCN(c3ncccn3)CC2)c1 13744726 FAKGUBIIWBLZRM-UHFFFAOYSA-N 374.872 2.945 0 50 FFAA CN(C(=O)CCCN1CCCC1=O)[C@@H]1CCCN(CCc2ccccc2)C1 15064476 UVYHWJWGFHJWRP-HXUWFJFHSA-N 371.525 2.555 0 50 FFAA Cn1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cn1 15066245 DHFVQGRZAOMZEK-IBGZPJMESA-N 364.453 2.599 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc21 15243650 BWQOFMPBUAWIPN-UHFFFAOYSA-N 352.362 2.675 0 50 FFAA CCc1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(Cl)cc4)C3)nn2)n1 169778109 XHWOJVTUBIOBIT-ZDUSSCGKSA-N 372.816 2.631 0 50 FFAA Cn1ncc2c1CCN[C@H]2C(=O)NCCCc1c(Cl)cccc1Cl 1857529958 WEYHMDCIULIKHS-MRXNPFEDSA-N 367.280 2.663 0 50 FFAA C[C@H](CN1CCCC1)C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857671911 WWDRQUIQKGLNRG-MRXNPFEDSA-N 352.482 2.736 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 1857674322 DDSXDUMDOAYZFS-MRXNPFEDSA-N 362.433 2.645 0 50 FFAA O=C(O)CN1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857704196 HPLRKMSZXPGSLZ-SFHVURJKSA-N 374.481 2.560 0 50 FFAA N=c1cc(-c2nccn2C23C[C@H]4C[C@@H](CC(n5cncn5)(C4)C2)C3)cc[nH]1 1857730102 YNMHLDXBDFGYOE-SNEKZUEESA-N 361.453 2.654 0 50 FFAA O=C1C[C@H]2N(Cc3cccc(O)c3)CC[C@]23OC[C@@H](c2ccccc2)N13 1857731390 GFAFEKIGWCMNEG-ZVDOUQERSA-N 350.418 2.667 0 50 FFAA Cn1nc(-c2cccnc2)cc1NC(=O)CCc1ccc2c(c1)OCO2 1875243289 ZOBAHZCFYVPOJE-UHFFFAOYSA-N 350.378 2.782 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(C)s3)C2)nn1 14999546 VFJGHRPIBMYVNO-HNNXBMFYSA-N 361.515 2.967 0 50 FFAA CN(C)CCOc1ccccc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 252484296 FTWAIDPZNUODAU-QFIPXVFZSA-N 370.493 2.598 0 50 FFAA CNC(=O)c1ccc(Cl)c(NC(=O)c2cn(-c3cccc(C)c3)nn2)c1 154317157 UWQHBVHZHMAWLO-UHFFFAOYSA-N 369.812 2.841 0 50 FFAA O=C(Nc1ccc(CC(=O)N2CCc3ccccc32)cc1)[C@H]1CCOC1 156213681 ZAMBZPZLRXLJMX-KRWDZBQOSA-N 350.418 2.793 0 50 FFAA O=C(Nc1noc2c1CCCC2)N1CCC(c2nnc3n2CCC3)CC1 934358969 GJHMTZGMEPJOTF-UHFFFAOYSA-N 356.430 2.503 0 50 FFAA O=C1OC[C@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C[C@@H]12 863753967 GGXFRXXMJKVGOW-IAQYHMDHSA-N 358.781 2.772 0 50 FFAA O=C(C=C1CCCCC1)N[C@H]1CCC[C@H]1Cn1cc(C2(O)CCC2)nn1 952890151 VEYDDUDZQZONLD-IRXDYDNUSA-N 358.486 2.825 0 50 FFAA O=C(N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1)[C@@]12CCC[C@@H]1C2(F)F 1875296128 GNNGCKVPNCUICB-MAUKXSAKSA-N 373.407 2.556 0 50 FFAA O=C(N[C@@H]1COC2(CC2)C1)N1CC[C@@](O)(c2cccc(C(F)(F)F)c2)C1 1875295016 BGAFQWIMHSYNBC-YOEHRIQHSA-N 370.371 2.630 0 50 FFAA CNC(=O)c1cc(Oc2cccc(OC[C@@H]3C[N@@]3CC3CC3)c2)ccn1 1875385206 OIJGYOVCTQURLL-NPMXOYFQSA-N 353.422 2.707 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](Nc4ccccn4)CC3)[C@@H]2C1 1875305539 DNEQSDMWPRBGHY-NWHWRWDZSA-N 357.454 2.668 0 50 FFAA CN(Cc1ccc(-n2cnc3ccccc32)cc1)Cc1cnn2c1CNCC2 2325759907 VROUULDFLGFJIR-UHFFFAOYSA-N 372.476 2.957 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)N[C@@H](C)c1cccc(-c3nn[nH]n3)c1)O2 2325843076 SXBLPQGTGNPKOH-SCLBCKFNSA-N 363.421 2.746 0 50 FFAA Cc1ccc(-n2nc([C@H]3CCOC3)nc2CC2CC(n3cnnc3)C2)cc1 2325849108 GVDZJRHRCSAMQY-PQUAAJSLSA-N 364.453 2.865 0 50 FFAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC[C@H]3CC3CCCC3)cc2=O)n1 912072456 QYTVRQBNSBINKQ-INIZCTEOSA-N 369.469 2.757 0 50 FFAA O=C(NCCCCN1CCC[C@H]1CO)C1(c2ccc(F)cc2)CCCC1 131316565 QXKDJPSTRQKTPE-IBGZPJMESA-N 362.489 2.991 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 676873 PWANYMIPMMSYAM-ZDUSSCGKSA-N 362.451 2.865 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 780649 SAVDYQPWLWJBGJ-OAHLLOKOSA-N 352.390 2.889 0 50 FFAA COc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1152331 JIECTQNWMOWYBD-ROUUACIJSA-N 372.446 2.616 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 20427442 HCLGPGWEMZEJIM-UHFFFAOYSA-N 371.243 2.824 0 50 FFAA CSCCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 55243284 BAIAVWFJJIIWDA-INIZCTEOSA-N 365.518 2.692 0 50 FFAA O=C(N[C@H]1CC[C@H](CO)CC1)c1csc(-c2ccc3c(c2)OCO3)n1 247000499 YUZAYKAWWLNOFQ-AULYBMBSSA-N 360.435 2.820 0 50 FFAA CN(C(=O)c1ccc(CSc2ncn[nH]2)o1)C1Cc2ccccc2C1 65404336 XZURGDSRUGJKQT-UHFFFAOYSA-N 354.435 2.929 0 50 FFAA COc1cccc(-c2noc(-c3ccc(NCCCO)nc3)n2)c1OC 20997046 HEVOIPZYUUXRAG-UHFFFAOYSA-N 356.382 2.610 0 50 FFAA Cc1cccnc1CN1CCN(CCC(=O)NC2CCCCCC2)CC1 65452260 PVCJZCFHFRXZBD-UHFFFAOYSA-N 358.530 2.737 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(C)cc1C 20500875 HHAKUAJFLTUUIH-SFHVURJKSA-N 357.454 2.570 0 50 FFAA CCOCCc1nnc(NC(=O)N[C@H](C)c2cn3ccsc3n2)s1 32590260 IMWSMTYXNIAZTN-SECBINFHSA-N 366.472 2.709 0 50 FFAA COC(=O)c1ccc(N2CCN([C@H](C)c3cnc(C)cn3)[C@H](C)C2)cc1 253433092 RVCZLRRJMFBKCR-HZPDHXFCSA-N 354.454 2.843 0 50 FFAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 252482323 DCWBPKHQXKMVAB-XWCIJXRUSA-N 363.845 2.948 0 50 FFAA Cc1sc(=O)n(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c1C 121426503 UQUYWJXHLUSSTG-SFHVURJKSA-N 371.437 2.967 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCNC(=O)c3cccnc3)c2c1 77470265 XODBHKNPEMLTSA-UHFFFAOYSA-N 362.433 2.660 0 50 FFAA COc1cccc(-c2noc(-c3ccc(N[C@@H]4CCNC4)nc3)n2)c1OC 72125337 RKLQYSPHDFQQAI-CYBMUJFWSA-N 367.409 2.590 0 50 FFAA Cc1cccc2oc(CNC(=O)c3ccc(N4CCN(C)CC4)cc3)nc12 219401533 AAMJBFNSRHBJNK-UHFFFAOYSA-N 364.449 2.818 0 50 FFAA C[C@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)[C@@H]1COc2ccccc21 253280671 VPVAZQUKGGJZDX-JQFCIGGWSA-N 372.494 2.784 0 50 FFAA C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 331568343 PQHQRYNTCZNGLV-KSSFIOAISA-N 374.462 2.660 0 50 FFAA CC1CCC(N2CCN(C(=O)c3cncc(-c4cnn(C)c4)c3)CC2)CC1 363638015 GCSDZPCRACRWCZ-UHFFFAOYSA-N 367.497 2.819 0 50 FFAA Cc1ccnc(C2CCN(C(=O)c3cnn(CCC(F)(F)F)c3)CC2)n1 363830112 XXNAKKJVPUQOHQ-UHFFFAOYSA-N 367.375 2.954 0 50 FFAA O=C(c1ccncc1)N1CC[C@H]2N(Cc3cccs3)CCC[C@]2(CO)C1 72135575 JCQKOFIGOPZXGW-UYAOXDASSA-N 371.506 2.632 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cn1 332341218 QVGAIGNQIPVJFB-NSHDSACASA-N 354.332 2.852 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC(c3nnc(CN(C)C)n3C)CC2)c1 77388215 OPHKHHCAWCZGQY-UHFFFAOYSA-N 355.486 2.513 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cncn2C)CCCN1Cc1ccc(F)cc1 71774692 ADSRTLDNOISWQV-IBGZPJMESA-N 358.461 2.932 0 50 FFAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCC(Oc2ccc(F)cc2)CC1 369658561 YCGLSKHHPXZUOW-ZDUSSCGKSA-N 359.401 2.736 0 50 FFAA C[C@@H]1CN([C@H](CNCc2ncc[nH]2)c2c(F)cccc2Cl)CCO1 261883299 USGDNMYGDVSGLD-IUODEOHRSA-N 352.841 2.754 0 50 FFAA C[C@@H](C(=O)NCc1cccnc1N1CCc2ccccc2C1)n1cccn1 39508982 DKHZUKFGTQEQDJ-INIZCTEOSA-N 361.449 2.718 0 50 FFAA CCCCc1nc(CN2CC[C@@](O)(CN3CCCCC3)C2)c(Cl)[nH]1 77420127 FMIWRZBJZPALSS-GOSISDBHSA-N 354.926 2.828 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)c(=O)[nH]1 72447184 ODJPXMOIOYBYRK-HNNXBMFYSA-N 368.433 2.901 0 50 FFAA Cc1ccncc1CCCN1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 377704183 VZQHAIGYTINLSJ-RBUKOAKNSA-N 361.486 2.692 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1OCCc2ccccc21 238030137 QKKHGQNSRYDBHG-RTBURBONSA-N 351.402 2.729 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CC(C)(CC(F)(F)F)C1 457115677 JZNBFTDCSQKTEA-UHFFFAOYSA-N 370.375 2.785 0 50 FFAA COc1ccccc1OC1CCN(C(=O)CN(C)Cc2cccnc2)CC1 77536722 YAXOOGBEVLXHMK-UHFFFAOYSA-N 369.465 2.592 0 50 FFAA CCN1CCC[C@H](CNC(=O)N2CC(Oc3cccc(Cl)c3)C2)C1 426537377 BBKCMSKUXUDFHX-CQSZACIVSA-N 351.878 2.845 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3ncc(CC)cn3)c2)CC1 426544798 MXWOEQLIPOQEFS-UHFFFAOYSA-N 368.437 2.620 0 50 FFAA CN1CCC[C@H]2CN(C(=O)NCc3ccccc3CN3CCCC3)CC[C@@H]21 177896645 KJUFBWYNHWPFFN-SFTDATJTSA-N 370.541 2.908 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)[C@H]1CC[C@H](O)CC1 222814428 XTUKGHXGWUTXHC-CBZNZHJPSA-N 354.450 2.714 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 91563316 YHNRTHVOVNMYFP-UHFFFAOYSA-N 363.417 2.726 0 50 FFAA CCN(CC)S(=O)(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 91643968 BVHVTOGTGMQAJB-QGZVFWFLSA-N 360.483 2.697 0 50 FFAA COCC1(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CCCC1 95388420 LXKPDXFPXVTMLM-UHFFFAOYSA-N 359.514 2.583 0 50 FFAA Cc1cc(-c2ccc(S(=O)(=O)NC[C@H]3COc4ccccc4C3)o2)on1 91986895 QZMVKYGXPGBXMM-ZDUSSCGKSA-N 374.418 2.773 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2cc(-c3cccn3C)n[nH]2)c1C 91818557 ILDWROQZYUIMHH-UHFFFAOYSA-N 353.426 2.708 0 50 FFAA CCn1nc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)c2ccccc21 91664140 LYCWGGYNIJPXTN-OAHLLOKOSA-N 368.481 2.854 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2cnc(-c3cccnc3)nc2)n1 95383617 QIGBTMBLMSQKOK-UHFFFAOYSA-N 374.326 2.586 0 50 FFAA COC(=O)C1(c2cccc(OC)n2)CCN(C(=O)OC(C)(C)C)CC1 526056046 IEHKOYNQISBJRM-UHFFFAOYSA-N 350.415 2.532 0 50 FFAA O=C(c1ccccc1-n1cncn1)N1CC(Oc2ccccc2Cl)C1 91637143 LCXJLXCHUSESLO-UHFFFAOYSA-N 354.797 2.824 0 50 FFAA Cc1c(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)n(C)c2ccc(F)cc12 91849231 NLIDOBGCRGINCT-HXUWFJFHSA-N 357.429 2.710 0 50 FFAA O=C([C@@H]1COc2ccccc2C1)N1CCC(OCc2ccccn2)CC1 91846738 LLZHHFBPKNASQH-KRWDZBQOSA-N 352.434 2.841 0 50 FFAA COc1ccc2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n(C)c2c1 244884192 YHEDXYUSFXZJPN-QEEYODRMSA-N 365.433 2.824 0 50 FFAA Cc1sccc1C(=O)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 297150228 RKFFEQZMHZZRJF-QGZVFWFLSA-N 368.462 2.910 0 50 FFAA O=C(O)c1cc(C(=O)N2CCOc3ccccc3C2)n(-c2ccccc2)n1 299744415 OQUCBCNBHRSKRI-UHFFFAOYSA-N 363.373 2.605 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCc2nccn2C(C)C)CC1 534655961 WTEUMABEBKFIEY-UHFFFAOYSA-N 356.474 2.589 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc(-c2cnn(CC3CC3)c2)cc1 534593059 AJZUTMXPECGGLT-UHFFFAOYSA-N 368.437 2.532 0 50 FFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 64024095 UVXDORGHILBTDT-SFHVURJKSA-N 363.483 2.873 0 50 FFAA Cc1noc(C)c1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 299798192 WKHOOLFZUXWTOT-MOPGFXCFSA-N 353.466 2.957 0 50 FFAA Cc1ccn2cc(CNC(=O)c3ccc(Cl)cc3OCCCN)nc2c1 299771072 RRSWWRDDJSZDAB-UHFFFAOYSA-N 372.856 2.954 0 50 FFAA Cc1noc(C)c1CC(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 827846931 NLSNHOCEMDEUGF-UHFFFAOYSA-N 360.439 2.520 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)NC[C@H](C)N3CCCC3)cn2)c1 824792594 KYPYQOSHDXIEGN-INIZCTEOSA-N 371.485 2.507 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 732268211 HCISLEPYJAAFEA-OAHLLOKOSA-N 367.449 2.657 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)NCc1cccc(F)c1)C2 1565530869 HBMIFAVFCCZLEN-AEFFLSMTSA-N 359.445 2.924 0 50 FFAA CSCc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)o1 952962081 ACIHXSWEAVBYCQ-JTQLQIEISA-N 359.407 2.840 0 50 FFAA Cc1ccc(N2CC[C@@H](CNC(=O)CCN3CCCCCC3=O)C2)cc1 952985308 GIRKIIUOWVGSTB-SFHVURJKSA-N 357.498 2.730 0 50 FFAA CCC[C@]1(COC)CCCN1c1ncnc2c1c(Br)nn2C 170615564 NCNDCPJNIMVSPK-OAHLLOKOSA-N 368.279 2.911 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)ns2)cnn1C 275330005 FWBJQJJORCCZCI-ZFWWWQNUSA-N 369.450 2.963 0 50 FFAA Cc1nc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)oc1C 275554758 PJFWYJGXKICXGB-HNNXBMFYSA-N 371.441 2.972 0 50 FFAA C[C@H]1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@]1(O)C1CCC1 211928458 LMBHGSBNMGWVPK-HXPMCKFVSA-N 365.857 2.663 0 50 FFAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)COCc3ccccc3)CC[C@@H]21 215491173 QFWCOKSPZOAKLD-MOPGFXCFSA-N 358.482 2.699 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cccc(-n4nc(C)cc4C)c3)C[C@@H]2O)on1 1704353281 DHYZDYPDXIPACO-NQIIRXRSSA-N 366.465 2.821 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11697918 IPLQWHSBGPPBQJ-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA CC(C)(C)CN1CCC[C@](O)(CNCc2c[nH]nc2-c2ccccc2)C1=O 12300190 IAQZHTRDJBHRNY-NRFANRHFSA-N 370.497 2.566 0 50 FFAA OCCN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 19929823 VNOOJQARAKAQEH-UHFFFAOYSA-N 358.442 2.612 0 50 FFAA O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cccs1 169772351 DFCIQJAGGIQNHD-UHFFFAOYSA-N 356.373 2.956 0 50 FFAA CN1CCN(C)[C@@H](Cn2ccnc2-c2nc(-c3ccccc3)cs2)C1 1857706913 BJQOTERBNGMHRJ-MRXNPFEDSA-N 353.495 2.919 0 50 FFAA O=C(NC[C@H](NC(=O)c1cscn1)c1ccccc1)c1cscn1 225485481 MPXMNIYYJBMYRA-LBPRGKRZSA-N 358.448 2.501 0 50 FFAA O=C1C[C@@]2(CCN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)C2)CN1 333163274 OBVDTLXXDNIAEW-VXKWHMMOSA-N 369.509 2.636 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2[nH]c3ccccc3c2Br)C1 237655467 CVMIPMCYEKAWBP-OAHLLOKOSA-N 351.200 2.867 0 50 FFAA O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)C1(c2ccccc2F)CC1 265450615 OEVOYRNRGGVERN-INIZCTEOSA-N 359.422 2.892 0 50 FFAA COc1ccccc1CNC(=N)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 849104378 OUMCIDYWNPVCBS-FXAWDEMLSA-N 357.429 2.614 0 50 FFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1nc2ccccc2o1 952847515 YCRVZZYUCDDFFJ-HNNXBMFYSA-N 353.426 2.980 0 50 FFAA C[C@@H](CNC(=O)NCc1ccccc1C(F)(F)F)CN1CCCC1=O 1875252782 XJZKBPGAWPCOKO-LBPRGKRZSA-N 357.376 2.763 0 50 FFAA O=C(N[C@@H]1CCC[C@H]1C1CCCC1)C(=O)N1CCC(c2ccncn2)CC1 1875307618 GEYHPNOHYNKUIR-PKOBYXMFSA-N 370.497 2.658 0 50 FFAA O=C(c1ccc[nH]1)N1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1 1875395452 CKSNLSVTLLPLFU-UHFFFAOYSA-N 373.478 2.819 0 50 FFAA Cc1cc(N2C[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C(C)C)n1 1875330538 SIDGDDBSMSYSJN-WCQYABFASA-N 373.423 2.523 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2csc(-c3cccnc3)n2)cc1 1875328463 STOAOKFTGFDJHQ-UHFFFAOYSA-N 359.432 2.632 0 50 FFAA COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC 14436790 YSXLGTWJLNLXKQ-UHFFFAOYSA-N 374.345 2.906 0 50 FFAA biogenic,in-vitro Cc1nc(C[C@H]2CCNC2)sc1C(=O)Nc1nc2c(F)cccc2n1C 2325780279 VFYNYOGJVULWNB-LLVKDONJSA-N 373.457 2.882 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CCC3(CCC3)[C@H]2O)c1Cc1ccccc1 2325782604 NIXIRVQSSFZQND-LPHOPBHVSA-N 353.466 2.682 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c(-c2cnn(C)c2)c1 2325785729 LCJKCGQGDNNZHU-ZLGUVYLKSA-N 365.481 2.521 0 50 FFAA Cn1cc(-c2cc(C(=O)Nc3c[nH]nc3-c3ccccc3F)n[nH]2)cn1 2325839814 GALGCSNUTKEMQL-UHFFFAOYSA-N 351.345 2.592 0 50 FFAA CC[C@H](C)C(=O)N(C)[C@@H](C)CCNC(=O)c1ccc2c(c1)NC(=O)CC2 2325868947 REQQACLJACPRFA-KBPBESRZSA-N 359.470 2.584 0 50 FFAA Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cccnc2c1 2325870834 RDOQIUVCPCTHFN-IRXDYDNUSA-N 361.401 2.875 0 50 FFAA O=C(O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 721098 BONASGVJJHRBTP-UHFFFAOYSA-N 351.240 2.842 0 50 FFAA Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 810898 QATIWOGFDSMMFR-UHFFFAOYSA-N 358.467 2.661 0 50 FFAA O=C(c1ncc[nH]1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356142655 BIOBDUCINSRZCC-OAQYLSRUSA-N 359.433 2.987 0 50 FFAA Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCCC1 3216458 ZHLDFJCYNCJBSW-UHFFFAOYSA-N 362.451 2.693 0 50 FFAA COc1ccc(C(=O)NCC(C)(C)CNC(=O)c2ccc(OC)cc2)cc1 4167983 WVGJIJNKPBFVMY-UHFFFAOYSA-N 370.449 2.890 0 50 FFAA COc1ccc(Cl)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 4487107 GVNMSRABELOHSS-UHFFFAOYSA-N 357.797 2.777 0 50 FFAA COc1ccccc1OCC(=O)NCc1nc(-c2cccc(C)c2)no1 4513084 HLLJFYHENFXTSQ-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA CCN(CC)C(=O)Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 10338240 HMHDXWWDTODVOO-UHFFFAOYSA-N 365.437 2.788 0 50 FFAA COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccn2C)cc1 8609910 NHJJLTIRJBTSCY-KRWDZBQOSA-N 364.409 2.553 0 50 FFAA COc1ccc(C)cc1N1C[C@H](C(=O)N2CCc3ccccc3C2)CC1=O 9342114 ZAJLLNIMDCEVHJ-GOSISDBHSA-N 364.445 2.941 0 50 FFAA COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 100767602 XKUQFQAXRXPUPZ-INIZCTEOSA-N 353.357 2.885 0 50 FFAA COc1ccc(Oc2ccc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)cc2)cc1 63882626 AYOCJBRSCDXFMM-CQSZACIVSA-N 359.403 2.528 0 50 FFAA COc1ccc(CCN2C(=O)O[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]32)cc1 67774609 VIJHAILWFXBBBU-RBUKOAKNSA-N 366.417 2.583 0 50 FFAA CC(C)c1nc2c(n1C)CCN(C(=O)c1cccnc1Br)C2 135519576 WRZKPBOHYCQMPX-UHFFFAOYSA-N 363.259 2.900 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1cccc(F)c1 67605136 RMQHILQNADZTTE-NRFANRHFSA-N 356.441 2.512 0 50 FFAA C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)[C@H]1OCCc2sccc21 421572565 DLXBQBMLXKNNTO-YMTOWFKASA-N 371.505 2.645 0 50 FFAA Cc1ccc(-c2nc(C(C)C)nn2-c2ccc3c(c2)OCCO3)c(=O)[nH]1 67695917 ZCXXFUCHBOQPLZ-UHFFFAOYSA-N 352.394 2.826 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 12712402 QSCKGDNDDQDSQW-SFHVURJKSA-N 360.889 2.934 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3cc(Cl)c[nH]c3=O)c2n1 67842936 UBGFZXRYDKUETC-UHFFFAOYSA-N 357.797 2.694 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1COCCN1C1CCCC1 329038000 ZKRIFULECBVFKG-XCJLJZCSSA-N 364.530 2.562 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)c1 33270286 DKMJHHNGCUAJIA-AWEZNQCLSA-N 366.439 2.834 0 50 FFAA Cc1cc(C)nc(N2CCN(C(=O)c3ccc4nc(C)oc4c3)CC2)n1 215394856 WXUISNMRXXEROW-UHFFFAOYSA-N 351.410 2.505 0 50 FFAA CS(=O)(=O)c1cnc(-c2ccc(Cl)cc2)nc1[C@@H]1CCCNC1 71760741 BSZRZQHLKJMISY-GFCCVEGCSA-N 351.859 2.668 0 50 FFAA O=C(c1cc2nc[nH]c2cc1F)N1CCCC[C@@H]1c1nnc2n1CCCC2 329346015 CBIKCLVWNXRZCK-MRXNPFEDSA-N 368.416 2.997 0 50 FFAA COCc1noc(-c2ccc(N3CC[C@](O)(c4ccccc4C)C3)nc2)n1 72468133 VBEMLSPDWRNNSA-HXUWFJFHSA-N 366.421 2.684 0 50 FFAA COc1ncc(-c2nccn2CCc2nc(C)cc(C(F)(F)F)n2)cn1 71422260 ZOMBATHFGSLQQY-UHFFFAOYSA-N 364.331 2.709 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 216192700 NOPQLKOPWDMEHS-UHFFFAOYSA-N 362.368 2.686 0 50 FFAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NCc1ccc(-n2ccnc2)nc1 363166637 VQAZYUCWAHDXCT-OAHLLOKOSA-N 365.437 2.746 0 50 FFAA Cc1ccc(NC(=O)NC2CCN(C3CC3)CC2)c(OCCN(C)C)c1 154646412 HGNXSMKJSVVDJL-UHFFFAOYSA-N 360.502 2.684 0 50 FFAA COC(C)(C)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328607905 XIVBMMBLMMWYRS-IIBYNOLFSA-N 369.465 2.966 0 50 FFAA Cc1cc(=O)[nH]c(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)n1 219135321 FMBOWTUXWUNSJQ-UHFFFAOYSA-N 372.812 2.668 0 50 FFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cncc(-c2ccc3c(c2)CCO3)c1 262721301 PWIVEDYFCOYBCS-PBHICJAKSA-N 352.390 2.667 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc1 39461344 IEJOVDQREDMSDG-JOCHJYFZSA-N 359.558 2.736 0 50 FFAA CS(=O)(=O)C1(C(=O)N2CCC[C@]3(CCCCc4ccccc43)C2)CC1 372955304 WDSGATCWMTUISR-LJQANCHMSA-N 361.507 2.850 0 50 FFAA O=C1CCCc2occ(C(=O)N3CCNC(=O)[C@@H]3CC3CCCCC3)c21 333736381 LRZTYDFBEIHIAL-HNNXBMFYSA-N 358.438 2.710 0 50 FFAA C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCC[C@H]1C 240551562 GUQUKBLEFGYSBI-WWGRRREGSA-N 350.484 2.563 0 50 FFAA O=C(O)C1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 238013665 PUCCLOKNBXLVAI-PQUAAJSLSA-N 362.445 2.797 0 50 FFAA CC[C@](CNC(=O)[C@H]1COc2ccccc2C1)(C(=O)O)c1ccccc1 263014811 OABAFHUOVQONRO-IIBYNOLFSA-N 353.418 2.787 0 50 FFAA C[C@H](Oc1ccccc1CN(C)Cc1nc(-c2cccnc2)no1)C(=O)O 72140118 SDTKNAUFFSBLKS-ZDUSSCGKSA-N 368.393 2.616 0 50 FFAA CN1CCCN(C(=O)c2ccccc2-n2cnnn2)c2cc(Cl)ccc21 173549803 KZIVYBKZIYOKSX-UHFFFAOYSA-N 368.828 2.802 0 50 FFAA COc1cc(NC(=O)NCCc2nc(C)cs2)cc(OC)c1OC 43169675 TZUBJZAFXYSAMK-UHFFFAOYSA-N 351.428 2.842 0 50 FFAA Cc1cc(F)ccc1-c1ccc(CNC[C@@](C)(O)CN2CCOCC2)o1 174486609 QDJXYIIWMYOYRV-HXUWFJFHSA-N 362.445 2.567 0 50 FFAA C[C@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)n1cncn1 178046726 GFNSMSNXJIDQQE-ZYHUDNBSSA-N 355.225 2.826 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCC[C@](O)(CO)CC1 221254364 JNLKPMUCSUKQHO-OAQYLSRUSA-N 355.434 2.615 0 50 FFAA NCCCOc1cc(Cl)ccc1C(=O)N1CCC[C@H](c2ccncn2)C1 426386955 UBZXVEJARFLXKZ-AWEZNQCLSA-N 374.872 2.877 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)no1 95529190 HDHSSOWZNCGFIT-CQSZACIVSA-N 369.343 2.917 0 50 FFAA CCc1ccc(CN2C[C@H](C3CC3)[C@@H](NC(=O)C(C)(C)COC)C2)nc1 91691575 HNQVTQKJLVLMJT-MOPGFXCFSA-N 359.514 2.643 0 50 FFAA CC(C)c1c(C(=O)NC[C@]2(O)CCOC2)cnn1-c1cccc(Cl)c1 178910821 LDMCJMXWVBUYBV-GOSISDBHSA-N 363.845 2.530 0 50 FFAA Cn1ccnc1CN(CCO)C(=O)Nc1cc(F)cc(C(F)(F)F)c1 95505578 DFDOUWZCROPUOG-UHFFFAOYSA-N 360.311 2.604 0 50 FFAA O=C(C1CCCC1)N1CC[C@]2(O)CCN(CCOc3ccccc3)C[C@@H]2C1 95388460 LNKBFVNDZINUEH-DENIHFKCSA-N 372.509 2.541 0 50 FFAA O=C(CN1C(=O)COc2cccnc21)N1CCC[C@@H](c2ccccc2)CC1 95506106 WFLDMCDTBRBFSO-QGZVFWFLSA-N 365.433 2.603 0 50 FFAA CN1CCCC[C@@H]1CCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 95392365 RFIPCQIPAPZOJH-MRXNPFEDSA-N 350.894 2.648 0 50 FFAA O=C(Cc1cnccn1)N1CCC(c2nccn2Cc2ccccc2)CC1 95497727 YTFZRGHKBNURMQ-UHFFFAOYSA-N 361.449 2.670 0 50 FFAA COc1ccc(CN(Cc2ccncc2)C(=O)CN2CCCCC2=O)cc1 97759300 RYZBPIGDIDZFNX-UHFFFAOYSA-N 367.449 2.632 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91664813 MYWFPAYKRDAUPR-NRFANRHFSA-N 372.513 2.755 0 50 FFAA O=C(CSCC1CC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95365421 BPNOYTOCSCOFPY-CEWLAPEOSA-N 372.534 2.924 0 50 FFAA Cc1cccc(C(=O)N2C[C@H]3CN(CC4CCC4)C[C@@]3(C(=O)O)C2)c1C 96150098 HVZBOISTELZHOU-DYESRHJHSA-N 356.466 2.562 0 50 FFAA C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCN(C(=O)C2CCC2)CC1 95386174 NXMOFZXHYAXCEJ-MRXNPFEDSA-N 371.525 2.839 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@H](c1ccccc1C)N(C)C)OCCO2 95502773 FMLDOTICRFTNLK-FQEVSTJZSA-N 370.449 2.694 0 50 FFAA COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)c1 91768903 YMOXYNBUELBXGW-DOTOQJQBSA-N 358.461 2.962 0 50 FFAA COc1cccc([C@H](C)NC(=O)N2CCC3(CC2)CN(C)CCCN3C)c1 534590659 JEYRNQSJCLUDKC-KRWDZBQOSA-N 374.529 2.568 0 50 FFAA O=C(Nc1ccccc1OCCc1ccccn1)N1CC[C@H]2CNC[C@H]21 299762458 WXRLIHLYXKPCIZ-MAUKXSAKSA-N 352.438 2.529 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@@H](c2cccnc2)N2CCCC2)C1 299780539 BOOXCWCIMNUKEU-OAQYLSRUSA-N 365.477 2.955 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl 824312923 FSARVUUNPBVDPO-UHFFFAOYSA-N 373.840 2.879 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cc(C(C)C)nc(N)n2)C1 827587185 MURQXESIJVAJKU-INIZCTEOSA-N 367.497 2.710 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)c1ccc(CN3CCCC3)o1)C2 824805022 ZLDXNWMIPOBYGT-HNNXBMFYSA-N 356.422 2.618 0 50 FFAA O=C(NCCCSCc1ccccc1)N1CCN(c2cnccn2)CC1 584899780 YACWSZSDNGXOLL-UHFFFAOYSA-N 371.510 2.632 0 50 FFAA Cc1nc(N2CCN(C(=O)Nc3cccc4c3OCCO4)CC2)sc1C 163003170 VHBQJURTPVYOPW-UHFFFAOYSA-N 374.466 2.885 0 50 FFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CC[C@@H]1CCCCO1 952988416 DHJYARGVTMTWHA-KRWDZBQOSA-N 363.483 2.760 0 50 FFAA Cc1cccc(CN(Cc2ccccc2)C(=O)CC[C@@H]2NC(=O)NC2=O)c1 952868083 YBSUUKNZWWKKLR-SFHVURJKSA-N 365.433 2.512 0 50 FFAA CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C(=O)O)C1 269179965 KXXCGFYKZOAGDK-CHWSQXEVSA-N 354.244 2.951 0 50 FFAA O=C(C1CC1)[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)CCO1 170598737 DUBSJLHULUSDTJ-GOSISDBHSA-N 360.417 2.876 0 50 FFAA O=S(=O)(c1ccc(NCc2cnn3ccccc23)nc1)N1CCCCC1 188026373 OVGILKHQGVZPDR-UHFFFAOYSA-N 371.466 2.516 0 50 FFAA CC(C)CN(Cc1ccccc1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529184984 GXZFITHERRTJCE-RTWAWAEBSA-N 366.461 2.928 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704353100 REXYNKBBOCCIBB-NVXWUHKLSA-N 364.367 2.705 0 50 FFAA COc1ccc(CC(=O)N2CCC(c3ccnc(O)c3)CC2)cc1OC 1772815528 TXCMQNNGIPCDHL-UHFFFAOYSA-N 356.422 2.753 0 50 FFAA Cc1cccc(CCNC(=O)[C@H]2CCCN(C3CCN(C(C)C)CC3)C2)n1 11821991 BNZXHLGEQLBRJQ-IBGZPJMESA-N 372.557 2.634 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4nonc4C)C3)C2)c1 12589056 FPFREODJYDIOOR-FQEVSTJZSA-N 354.454 2.815 0 50 FFAA Cc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 14752992 STNFBUVKFHHKLW-DLBZAZTESA-N 369.440 2.615 0 50 FFAA O=C(NC1CCCCC1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857670399 MBEJQYIBHIEMJK-OALUTQOASA-N 371.481 2.531 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCCN(CC)c2cccc(C)c2)CC[C@H]1N 1857718793 TWOBVOQCRUSFOW-DFQSSKMNSA-N 361.530 2.860 0 50 FFAA Cc1nc(C)c(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)o1 1857727454 RZTPAOJFCXSSFC-UHFFFAOYSA-N 350.422 2.933 0 50 FFAA Cc1cccc(-n2cc(CN3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)cn2)c1 1857730970 GAVYVRZBRHNERT-DXBBTUNJSA-N 366.509 2.722 0 50 FFAA CC1(C)C(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)C1(C)C 1857740388 HNXBFPNYIKZMQB-MCFFVMPBSA-N 368.477 2.970 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)cc1Cl 1875250566 MHRKPHCBCFUALW-MAUKXSAKSA-N 351.830 2.726 0 50 FFAA O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212500184 PZNRHCFZSKEYGA-AEFFLSMTSA-N 364.401 2.887 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(CC(C)C)nn1CC)C2 212546598 DXVLGCWJERQXES-WBVHZDCISA-N 360.502 2.575 0 50 FFAA COc1cc(NC(=O)CN(CCO)[C@@H](C)C2CCCCC2)cc(OC)c1 225535543 JTDZCFBHPIRDIM-HNNXBMFYSA-N 364.486 2.905 0 50 FFAA CCO[C@H](C)c1nc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)cs1 236918322 TUOXSMAGIRQADX-OLZOCXBDSA-N 354.472 2.887 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@H]2CC[C@H](N)C2)CCOCC1 237267975 QQSXLLFWAKFIQD-ZFWWWQNUSA-N 366.889 2.640 0 50 FFAA O=C(N1CC[C@@H](n2cncn2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 368731322 CQHMNUAOUHSGRW-CQSZACIVSA-N 350.344 2.802 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1=O 157308164 WQXAVRWDJOFTCG-QGZVFWFLSA-N 352.434 2.776 0 50 FFAA O=C(OC[C@@H]1CCCCN1C(=O)c1ncncc1Cl)N1CCCCC1 376473214 GVWUXTRSWCFGRZ-ZDUSSCGKSA-N 366.849 2.747 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cccs3)C1)CC2 1704298713 CLGBOFXCOWRVCI-IBGZPJMESA-N 356.495 2.653 0 50 FFAA O=C(O)CCC(=O)c1ccc(S(=O)(=O)N2CCC(C3CC3)CC2)cc1 871965155 CRRCOCFMZIBJLC-UHFFFAOYSA-N 365.451 2.545 0 50 FFAA Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc2n[nH]cc2n1 1875283629 YJDMYJCOLKIYMG-UHFFFAOYSA-N 351.410 2.904 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(O)(c4ccccc4)CC3)n[nH]c21 1875293085 BTZXAYRNSGXGGQ-KGLIPLIRSA-N 355.438 2.556 0 50 FFAA CC(C)(NC(=O)c1cc(Cl)nc(Cl)c1)C1CCS(=O)(=O)CC1 1875380238 JCUDPNRLENOLTC-UHFFFAOYSA-N 365.282 2.722 0 50 FFAA O=C(Cc1ccc2c(c1)CCC2)N1[C@H](Cc2ccccc2)CCS1(=O)=O 1875362352 BHCDQDIXQOHTRG-FQEVSTJZSA-N 369.486 2.891 0 50 FFAA CO[C@@]1(CC(=O)c2ccc(Br)cc2)C(=O)N=C2C=CC=CN21 6668774 IHAQTEPFTJYQKN-INIZCTEOSA-N 361.195 2.689 0 50 FFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cn1cnc2ccc(F)cc2c1=O 2325731114 GMTUXORZTOGWJE-ZBFHGGJFSA-N 365.408 2.940 0 50 FFAA CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)c1cc2sccc2n1C 2325781165 RRHPXJBXKZXROT-LLVKDONJSA-N 373.438 2.512 0 50 FFAA O=C(Cc1ccc2nn[nH]c2c1)Nc1ccc(CN2CCCCC2)nc1 2325798253 ZRCXMHBINXWTRT-UHFFFAOYSA-N 350.426 2.520 0 50 FFAA C[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1 929872241 CHYXSHBHPDQOEW-ZDUSSCGKSA-N 352.390 2.783 0 50 FFAA N[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 152314205 VDPQSYTVDNJBJU-NSHDSACASA-N 364.243 2.596 0 50 FFAA O=C(c1ccccc1F)c1cn(CC(=O)N2CCOCC2)c2ccccc12 817620 RTIDLRVSJGRENZ-UHFFFAOYSA-N 366.392 2.870 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O 1072407 CNJHOZIWVLRYEY-HNNXBMFYSA-N 352.390 2.889 0 50 FFAA COc1ccc(CCNc2nnc(-c3ccccc3)c(=O)n2C)cc1OC 1307776 DSTTVZIPHWQTPX-UHFFFAOYSA-N 366.421 2.514 0 50 FFAA CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2)C3)c(C)n1 2356147404 UOIFMYYJBBXAIS-AWEZNQCLSA-N 350.426 2.573 0 50 FFAA CC1(C)NC(=O)N(CCCCOc2cccc(Br)c2)C1=O 2862577 INDWQBIOMPHJMJ-UHFFFAOYSA-N 355.232 2.939 0 50 FFAA CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)c1 2881644 JWKSMNPNVFLFKA-UHFFFAOYSA-N 368.345 2.508 0 50 FFAA CC(C)c1ccccc1NC(=O)CCC(=O)NCCSc1cn[nH]n1 55384672 KMAWOMLKQOTNCL-UHFFFAOYSA-N 361.471 2.555 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)O2 416016160 HIWVCXMWYWKUBF-MRXNPFEDSA-N 363.410 2.870 0 50 FFAA Cc1c(-c2ccnc(N3CCCCC3)n2)cnc2nc(C(F)(F)F)nn12 54201956 OYNHPSLGLRBSNJ-UHFFFAOYSA-N 363.347 2.899 0 50 FFAA O=C(CCCCC(=O)OC[C@@H]1CC[C@H]2O[C@@H]2C1)OC[C@@H]1CC[C@@H]2O[C@@H]2C1 100007365 DJUWPHRCMMMSCV-PDCGBLAGSA-N 366.454 2.768 0 50 FFAA CCc1n[nH]c(SCC(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)n1 55153735 YNOMQYDLHAJKPH-UHFFFAOYSA-N 364.862 2.648 0 50 FFAA CC(C)(CCC(=O)n1nnc2ccccc21)C(=O)n1nnc2ccccc21 22017654 ABZLHWLZJJTFBQ-UHFFFAOYSA-N 362.393 2.963 0 50 FFAA CN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)Cc1ccccn1 67643006 MBQGLYWJDVSUEF-SFHVURJKSA-N 359.857 2.767 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3ccc4cc(F)ccc4n3)C2)C1=O 12434891 LWDJEEKZUUETSM-OAQYLSRUSA-N 371.456 2.835 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1 229659928 JHBOGXSHYUFXOO-MBNYWOFBSA-N 365.503 2.521 0 50 FFAA Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)cn1 172173228 KCPYFWXQPMGJEU-IBGZPJMESA-N 351.450 2.889 0 50 FFAA CCc1cc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)ncn1 72424119 AOQGECWLBVFTOC-UHFFFAOYSA-N 367.409 2.576 0 50 FFAA O=c1[nH]c2ccccc2n1C1=CCN(Cc2cn(-c3ccccc3)nn2)CC1 72172412 PGLBIPLRTRFCIN-UHFFFAOYSA-N 372.432 2.657 0 50 FFAA CCc1ccc(O)c(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1 363303266 YCLSZBPUWSSCSJ-MRXNPFEDSA-N 354.406 2.904 0 50 FFAA CCC[C@@]1(CO)CCCN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 72152750 FNTQDVGAMQJUNH-HXUWFJFHSA-N 366.469 2.804 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc1 77459458 KDFFTFHIHOYDEB-HNNXBMFYSA-N 366.421 2.669 0 50 FFAA OC1CCN(C2CCN(Cc3cnc(-c4cccs4)nc3)CC2)CC1 72474174 XDXXIQJGSRNXJZ-UHFFFAOYSA-N 358.511 2.626 0 50 FFAA CC(C)OC[C@@H]1CN(Cc2ccc(OCc3nccn3C)cc2)CCO1 373488325 CONWXCIXWZLXTE-IBGZPJMESA-N 359.470 2.625 0 50 FFAA Cc1cn(CC(=O)Nc2cnn(C(C)C)n2)nc1-c1ccc(F)cc1F 48441250 UKORJEHJAALYOY-UHFFFAOYSA-N 360.368 2.948 0 50 FFAA COc1ccccc1CC(=O)NCCc1csc(-c2cnccn2)n1 220141140 DMQUYRDGUFEMHK-UHFFFAOYSA-N 354.435 2.510 0 50 FFAA Cc1csc(SCC(=O)N(C)Cc2nc(-c3cccnc3)no2)n1 223325889 GKEZANFLBHPMAF-UHFFFAOYSA-N 361.452 2.647 0 50 FFAA CC(C)[C@H](C(=O)NCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O 223216699 IEJMPPSGDWYIJU-LJQANCHMSA-N 362.433 2.860 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Nc1cccc(-n2cncn2)c1 426424240 JWILFQXZLKKOBB-UHFFFAOYSA-N 353.430 2.704 0 50 FFAA Cc1ncc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c(-c2ccccc2)n1 426661982 HPQHTANOVCCSNJ-QGZVFWFLSA-N 374.448 2.641 0 50 FFAA CC[C@H]1CCCCN1CC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82096758 GNVBYNMVBQPOMJ-INIZCTEOSA-N 363.889 2.780 0 50 FFAA CC(C)c1nc(CN(C)C(=O)Cn2nccc2[C@@H]2CCCNC2)cs1 426465258 RPRXUEIFCHLCND-CQSZACIVSA-N 361.515 2.589 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCCNc1ccc(C)cn1)C2 92046656 HITOFLYULIYDDZ-MRXNPFEDSA-N 355.438 2.568 0 50 FFAA O=S1(=O)CCC[C@H](Cc2nc(Cc3cccc(Cl)c3F)no2)C1 293172604 NYTJYKJDYBUEPB-SNVBAGLBSA-N 358.822 2.820 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCCN(Cc3cccnc3)CC2)N(C)C)c1 95366310 PWMHRQMKJKHGCE-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA COc1ccccc1-n1nc(CC(N)=O)nc1C1(c2ccccc2F)CC1 96180644 DWTQVGCJUSSYMW-UHFFFAOYSA-N 366.396 2.523 0 50 FFAA O=C(NC[C@@H](O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccncc2)n[nH]1 97742590 DGWINLMBGMJMOL-IPAUSASBSA-N 366.465 2.779 0 50 FFAA COc1ccc([C@H](NC(=O)COc2ccc(C)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 243956774 CDTJVVANTPOCGT-FVJLSDCUSA-N 370.449 2.714 0 50 FFAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 244708126 KNZOQULOYPZRMS-ZIFCJYIRSA-N 351.450 2.552 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H](Cn2ccnn2)C1 183829099 XAKCAYQZJFRFQR-RHSMWYFYSA-N 373.432 2.753 0 50 FFAA O=C(O)c1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 299748764 ICEBUTZXBQDAQE-SJORKVTESA-N 367.401 2.618 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NC4CCC(C)CC4)c3CO2)cc1 263618571 UKITXBDTNZAOFY-RWKZGTHUSA-N 370.453 2.867 0 50 FFAA Cc1cccnc1-c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)C2)cc1 534587248 MRGRCSKYOFYIFU-FQEVSTJZSA-N 364.493 2.519 0 50 FFAA Cn1ncc(Cl)c1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 299766569 FRIZXYJMVGBYQB-HNNXBMFYSA-N 350.825 2.780 0 50 FFAA O=C(NC[C@@H]1CCCN(C2CCCC2)C1)N1CCC(c2cc[nH]n2)CC1 584889441 GMELXMGMHMVJGU-INIZCTEOSA-N 359.518 2.953 0 50 FFAA CCc1ccccc1NC(=O)CCNC(=O)c1cc(CC(C)C)nc(O)n1 952982407 LRWNUNQQMJNREB-UHFFFAOYSA-N 370.453 2.702 0 50 FFAA COc1cccc(C2(NC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c1 268245786 SJCKEOMZHGIJSG-MRXNPFEDSA-N 371.481 2.728 0 50 FFAA CC[S@](=O)CC(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 170616566 RDBTYDAFJITTSK-VWLOTQADSA-N 361.419 2.729 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@@H]1CCc1ccccc1 186548608 PKDCMBPKWXYETP-OAHLLOKOSA-N 369.437 2.934 0 50 FFAA Cn1cc(-c2n[nH]cc2C(=O)N2CCC[C@H](Nc3ccccc3)C2)cn1 276035833 WRYGBBUYDIEOGT-INIZCTEOSA-N 350.426 2.527 0 50 FFAA O=S(=O)(NCCN1CCCOCC1)c1ccc(C2CCCCC2)cc1 189089638 WIPFZVRXYJMLTJ-UHFFFAOYSA-N 366.527 2.735 0 50 FFAA C[C@@H](c1nnnn1C1CC1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 192167419 FKEFJJFZRJMDHO-ZFWWWQNUSA-N 364.457 2.734 0 50 FFAA Cc1cc(N2C(=O)CN(Cc3cccc(Br)c3)C2=O)no1 192403369 JVGSOPMYTRKPHT-UHFFFAOYSA-N 350.172 2.714 0 50 FFAA Cc1nc(CNC(=O)c2cnn(C)c2Cc2ccccc2)ccc1[C@@H](C)O 770684583 WJVRRGDSCCUBLU-OAHLLOKOSA-N 364.449 2.698 0 50 FFAA CCc1ccccc1OCCN1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1 1529089692 WRDGVWZULUZGMB-XZOQPEGZSA-N 369.505 2.916 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704339652 VDHXHQAXPFSUQA-QRWLVFNGSA-N 362.433 2.511 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N(C)C[C@H](C)O 1704311136 ZLKWDYYOXPRFQK-NSHDSACASA-N 367.833 2.506 0 50 FFAA N[C@H](Cc1ccccc1)c1nnc(N2CCN(c3ccccc3F)CC2)o1 1772709447 PVCWTSGVTXFYCI-QGZVFWFLSA-N 367.428 2.778 0 50 FFAA Cc1oc(-c2ccccc2F)nc1CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772706804 GSXFWKVEQRHXQW-YJYMSZOUSA-N 360.385 2.712 0 50 FFAA O=C(c1cccs1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697954 VOVDMZQIVSMNCP-UHFFFAOYSA-N 366.450 2.639 0 50 FFAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C 11869125 OPWHWTOKZOYMJQ-FQEVSTJZSA-N 369.513 2.868 0 50 FFAA COc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)cc1OC 11879343 ONBUCGIHAZHMAP-KRWDZBQOSA-N 359.397 2.927 0 50 FFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1[nH]nc2c1CCCC2 12207555 ZHWBPSFUICNKTD-KRWDZBQOSA-N 364.493 2.650 0 50 FFAA OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CCN1C1CCCC1 19885590 MTDDTEIOSISFOK-HXUWFJFHSA-N 354.498 2.684 0 50 FFAA Cc1ccc2ncccc2c1-c1nccn1CCN1CCC[C@H](C(N)=O)C1 1857685036 AOZBCLNDUTWHGH-INIZCTEOSA-N 363.465 2.604 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cc1 1857732497 SYTWMCFOHUSYOR-PMACEKPBSA-N 374.506 2.687 0 50 FFAA O=C(Cc1cccnc1)NC[C@H]1[C@H]2CN(C3CCCCC3)C[C@]23CC[C@H]1O3 1857736083 JWIXKLMFCHMBJW-GPQLQYNLSA-N 369.509 2.552 0 50 FFAA Cc1cc([C@@H]2CCCN2CCC(=O)NC(=N)O)ccc1Br 331153105 CESIPPIYARNPIZ-ZDUSSCGKSA-N 354.248 2.893 0 50 FFAA CCN(C(=O)c1coc(-c2cccnc2)n1)[C@H]1CCN(CC(F)(F)F)C1 912482640 IYWCSAGNINMYDN-ZDUSSCGKSA-N 368.359 2.835 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(-c3cc[nH]n3)o2)C1 952887889 DQVAOVHHMVJQCE-WMLDXEAASA-N 354.410 2.733 0 50 FFAA Cc1cc2nc(NC(=O)c3ccc([C@H]4CCOC4)cc3)cc(N(C)C)n2n1 1875285324 KAABDGYNOMWRNB-INIZCTEOSA-N 365.437 2.860 0 50 FFAA Nc1ccc2c(c1)CN(c1ccc3nnc(-c4ccsc4)n3n1)CCO2 1875358992 PTBTXDLPGKBBDB-UHFFFAOYSA-N 364.434 2.834 0 50 FFAA CN(C(=O)Cc1cccc2c1[nH]c1c(Cl)cccc12)[C@@H]1CCNC1=O 1875306374 CHHYTKHRVWPCEE-OAHLLOKOSA-N 355.825 2.864 0 50 FFAA C[C@H]1CN(C(=O)c2cc(C3(C)CC3)on2)C[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1C 1875407292 WUJXUKNFSRWLLG-APIJFGDWSA-N 359.470 2.691 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N[C@H]3CCC[C@@H](OC(F)F)C3)cc2=O)cc1 888092742 ZIKCQLJSMSFYDV-GXTWGEPZSA-N 365.380 2.754 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4)CC3)C2=O)c(C)c1 19720857 KSDPJGZTNIIMBB-HXUWFJFHSA-N 363.461 2.758 0 50 FFAA CCS(=O)(=O)CCn1cc(C)c(-c2ccc([C@H]3OCC3(F)F)cc2)n1 2325777799 GLRACYHZBXLVDT-MRXNPFEDSA-N 370.421 3.000 0 50 FFAA Cc1cc(C(=O)Nc2cnc3c(c2)C[C@H](N)CC3)c(C)n1-c1ccon1 852873955 FSGMXRNVVWMKMV-CQSZACIVSA-N 351.410 2.545 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)CC(F)F)C1)c1ccc2cccnc2c1 2325871414 KPGCNDALCRKLPW-CYBMUJFWSA-N 361.392 2.858 0 50 FFAA COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1C 640077 OBCVZTAIUADYFJ-UHFFFAOYSA-N 365.451 2.542 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OC)cc1Cl 684813 BEEMDJLYJGUJAI-OAHLLOKOSA-N 368.817 2.938 0 50 FFAA Cc1cccc2nc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)[nH]c12 2356135869 WUZQQINKLYPTRJ-UHFFFAOYSA-N 364.405 2.596 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)CN1CCc3ccccc3C1)OCO2 2840905 UGPISUFQTQOPTK-UHFFFAOYSA-N 352.390 2.615 0 50 FFAA CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2990058 ZPNADFVCMJMESI-HNNXBMFYSA-N 368.499 2.862 0 50 FFAA COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6269880 ZGLDKCWSYUWORZ-UHFFFAOYSA-N 362.451 2.562 0 50 FFAA CC(C)CCC1=NC(=O)C2(CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)N1 55099548 KDYBHENTYNOULR-HNNXBMFYSA-N 363.502 2.517 0 50 FFAA O=C1NC(=O)[C@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 105022988 VTOLQEMXZUTSMA-SWPIGTEOSA-N 369.846 2.721 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc4cccnc4n3)[C@H](C)C2=O)c1 55343295 ARSNCWNOEVHYRQ-MRXNPFEDSA-N 374.444 2.811 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)C1 248186421 HSVXYGMUNZKETE-MJGOQNOKSA-N 374.481 2.634 0 50 FFAA c1ccc(-n2c(CC3CCNCC3)nnc2SC[C@@H]2CCNC2)cc1 55340767 MXIMEXIEQWQCGY-MRXNPFEDSA-N 357.527 2.511 0 50 FFAA COc1cccc(CNC(=O)[C@@H](C)N2CC[C@H](CNc3ccccn3)C2)c1 171643032 HYGZYCORPVZUNN-SJLPKXTDSA-N 368.481 2.529 0 50 FFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(-n2cccc2)c1 409413619 JLRLKSZKZJUPJY-GOSISDBHSA-N 374.400 2.557 0 50 FFAA biogenic COc1cccc(-c2noc3c2CN(Cc2cc(=O)c(OC)c[nH]2)CC3)c1 67908735 ZCSHMHMWYFTOPJ-UHFFFAOYSA-N 367.405 2.605 0 50 FFAA CCN(CC1CCOCC1)C(=O)C1(Oc2ccc(C)cc2)CCNCC1 65507471 ITFQUBHBDKZRJR-UHFFFAOYSA-N 360.498 2.771 0 50 FFAA O=C(c1cc(-n2cccc2)ccc1O)N1CCC[C@@H](Cn2ccnc2)C1 67676124 DLZACSPCOZZBTK-INIZCTEOSA-N 350.422 2.932 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@@H](CCc3ccccc3F)C2)CC1 20994447 YPVQZCLEAMMGMY-SFHVURJKSA-N 361.505 2.634 0 50 FFAA Cc1cc(C)nc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)n1 12387697 LRWSMRRLWSZDDN-UHFFFAOYSA-N 365.437 2.643 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@H](c3cc(=O)[nH]c(-c4ccsc4)n3)C2)n1 67725133 UMLCQPUVHSPADB-LBPRGKRZSA-N 369.450 2.550 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3C)n2)c1 2799776 OLHDPBCHDXUZEU-UHFFFAOYSA-N 352.394 2.904 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NC[C@@H]3CCCN(C(C)C)C3)CC2)c1 78524187 GOWJRLXLXJZVGO-NRFANRHFSA-N 372.557 2.943 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cnn(CC(C)C)c2)n1C 328627660 GLDBCDLMRDYNRO-GOSISDBHSA-N 357.502 2.964 0 50 FFAA COc1ccc2cc([C@H]3CN(c4nc(C(N)=O)cs4)CCO3)ccc2c1 71730477 IJPCVZYVUZTDBZ-QGZVFWFLSA-N 369.446 2.982 0 50 FFAA O=C(NC[C@H](O)c1ccccc1F)C1CCN(Cc2ccccc2)CC1 363351282 DUTBVJSTNMCJTD-FQEVSTJZSA-N 356.441 2.888 0 50 FFAA CC(C)OC[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCO1 364203093 NTOHNJBZQYRDIB-ZDUSSCGKSA-N 360.376 2.770 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)CCn3cccc3)CC2)cc1 72423297 JWQPRLATMAYFJD-UHFFFAOYSA-N 356.422 2.711 0 50 FFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3cnn4ccccc34)CC[C@H]21 72447100 SSJOJDQDUXFJIT-DOTOQJQBSA-N 354.454 2.588 0 50 FFAA COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@H]1C(C)C 239352469 ACHQRMIRYYZSEC-YOEHRIQHSA-N 359.401 2.671 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 71730244 NKOLZBBBZZRCLY-QGZVFWFLSA-N 372.465 2.713 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3cnc(C(C)C)nc3C)C2)CCC1=O 72477493 AZFLIMPOIXBGJX-HXUWFJFHSA-N 358.486 2.773 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1O 77519278 ZXKODUWSZLZYPO-OAQYLSRUSA-N 356.466 2.955 0 50 FFAA CCOc1ncccc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 237006673 PMBKWHRBWQTECO-UHFFFAOYSA-N 354.406 2.739 0 50 FFAA C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(F)c(F)c2)C1=O 128790127 KQYCPNONLHLOKT-IBGZPJMESA-N 374.343 2.703 0 50 FFAA CCOc1cc(C(=O)O)ccc1OS(=O)(=O)c1ccc(OC)cc1 217042975 APBFMLZEGPYWBC-UHFFFAOYSA-N 352.364 2.560 0 50 FFAA COCc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)o1 72171553 KBAOCGKCBGSHKC-SFHVURJKSA-N 354.450 2.741 0 50 FFAA Cc1nccn1CCCC(=O)N1CC(=O)N(c2ccccc2Cl)C[C@@H]1C 82083722 XAZIFJZBMFUQAD-AWEZNQCLSA-N 374.872 2.889 0 50 FFAA Cn1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c2ccccc21 222366393 WEPOPPVITGSEBQ-SJLPKXTDSA-N 351.406 2.540 0 50 FFAA O=C(NCCn1ccnc1)[C@@H]1CC12CCN(C/C=C/c1ccccc1)CC2 42460188 QYTDFVBRXBYGIT-PDGUBNMISA-N 364.493 2.815 0 50 FFAA CCNC(=O)N1CCC(NC(=O)c2ccc(N(C)C)c3ccccc23)CC1 220041724 NLNPAZHQGPCOQT-UHFFFAOYSA-N 368.481 2.830 0 50 FFAA Cc1nc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)cs1 221360886 UFNMIJLYRCLYGR-UHFFFAOYSA-N 364.492 2.593 0 50 FFAA CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1nccn1C 223682164 MYAALZDRYXOSGQ-SFHVURJKSA-N 354.498 2.897 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 291039921 URWFCDPNPUXWRW-IBGZPJMESA-N 369.513 2.864 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3nccs3)C2)CN1CCc1ccccn1 92047029 VBANVTQSQZTJAQ-FQEVSTJZSA-N 370.522 2.985 0 50 FFAA Cc1nc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)n(C)n1 95510904 XPZDNKUXBMXTLF-MRXNPFEDSA-N 373.476 2.571 0 50 FFAA Cc1ccc(-c2nc(CN3CCC4(CCC(=O)N(C)C4)CC3)no2)cc1 91907654 RYNFBYRSXBWGOR-UHFFFAOYSA-N 354.454 2.879 0 50 FFAA Cc1ccn2c(-c3nc(CC(N)=O)nn3C3CCCCC3)c(C)nc2c1 96133778 XBYDAPGEDZOROT-UHFFFAOYSA-N 352.442 2.743 0 50 FFAA Cc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)cc1 91706806 HNZGRIAULNQSGQ-FUHWJXTLSA-N 369.490 2.644 0 50 FFAA COc1ccc(-n2nc(C(=O)N3CC[C@H](O)C3)cc2-c2ccccc2)cc1 97547501 UHBKYTPXPVZBGP-KRWDZBQOSA-N 363.417 2.755 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(C)c3ccccc3n2C)on1 96179933 BNWNVUUSQLOCEJ-PBHICJAKSA-N 353.422 2.771 0 50 FFAA Cn1cc([C@@H](NC(=O)CCc2nc3ccccc3s2)[C@H]2C[C@@H](O)C2)cn1 244774278 PRDHGOCJGXPBEP-CFZJUORYSA-N 370.478 2.591 0 50 FFAA OCCOc1cccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c1 39357097 XCSUTNLAZPCXGM-JOCHJYFZSA-N 355.478 2.875 0 50 FFAA NCc1cccc(NC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 299766580 FJRRSPANGSTZMQ-SFHVURJKSA-N 368.437 2.678 0 50 FFAA O=C(NCc1cc2n(n1)CCN(C/C=C/c1ccc(F)cc1)C2)C1CCC1 299797664 PSWKRKBDVLGOGP-NSCUHMNNSA-N 368.456 2.968 0 50 FFAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)/C=C/C(C)C)CC3)n1 299770756 QXXWRAQGSLCSJC-DVBCCOPCSA-N 355.482 2.847 0 50 FFAA CCCC[C@H](NC(=O)Cc1ccc(-n2nnnc2C)cc1)c1cccnc1 822830924 RLDLSVDEPHCYEW-IBGZPJMESA-N 364.453 2.956 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCC(=O)NC[C@@H]3C)c2)c2ccccc2n1 584899588 PXGYZBHXZAFNDH-AWEZNQCLSA-N 374.444 2.956 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565509278 BSJOOZHPONWHRV-ROUUACIJSA-N 371.462 2.657 0 50 FFAA O=C(NCc1c[nH]nc1-c1cccs1)c1ccccc1N1CCOCC1 952977127 OVSPDCHCZOYJRC-UHFFFAOYSA-N 368.462 2.905 0 50 FFAA c1cc(-c2nnc3ccc(N4CC[C@H](CN5CCCC5)C4)nn23)cs1 274986232 ZXPINCFTAXCIKH-CQSZACIVSA-N 354.483 2.775 0 50 FFAA CC(C)(C)OC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN1C(N)=O 170609474 AOCNKFZUMIKCCU-GFCCVEGCSA-N 363.414 2.734 0 50 FFAA O=C(c1nc2cccnc2s1)N1CCC(c2nncn2C2CC2)CC1 194008343 VRENTQJLIWPYTL-UHFFFAOYSA-N 354.439 2.638 0 50 FFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)CCN1CCCCCC1=O 1506429361 UCSWEBVWJZSIHJ-UHFFFAOYSA-N 368.437 2.889 0 50 FFAA Nc1nc2c(c(C(=O)N3CCO[C@@H](c4ccc(Cl)cc4)C3)n1)CCCC2 1506402559 OGGZKEZXWRUEFE-MRXNPFEDSA-N 372.856 2.805 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)COc1ccc(C)c(C)c1 1506402900 KZCMNKMKWLABKP-UHFFFAOYSA-N 352.394 2.910 0 50 FFAA CCc1c(C(=O)Nc2csc3nc(=O)c(C)nn23)[nH]c2ccccc12 1529120065 RXUDCBLEAIBZPQ-UHFFFAOYSA-N 353.407 2.755 0 50 FFAA CN(Cc1ccoc1)C(=O)[C@@H]1CC[C@H](NC(=O)c2ncc(F)cc2F)C1 215120570 UZTVAVJGIKPRRF-OCCSQVGLSA-N 363.364 2.510 0 50 FFAA COc1cc2nc(N3CCC4(C=C(C)CCO4)CC3)nc(N)c2cc1OC 1772703278 WKYPZPOFXJQMFY-UHFFFAOYSA-N 370.453 2.935 0 50 FFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1cnccn1 12583343 GDPAVISEAQOYER-UHFFFAOYSA-N 356.445 2.642 0 50 FFAA O=C(CCN1CCCO1)N1CCO[C@H](Cc2cccc3ccccc23)C1 12596121 QPKUFXCETDRNOZ-LJQANCHMSA-N 354.450 2.637 0 50 FFAA CCCCN(C)[C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 14752657 CSEDFWJSVNIYJO-SFHVURJKSA-N 368.525 2.982 0 50 FFAA CCSc1nnc([C@H](C)NS(=O)(=O)c2ccc(Cl)s2)n1C 14987814 JGWKFNXTXLZKTQ-ZETCQYMHSA-N 366.921 2.682 0 50 FFAA CC[C@@H](NC(=O)[C@H]1C[C@]12CCOc1ccc(OC)cc12)c1noc(C)n1 1857532264 NAUMZAWTGWEWCC-CLCXKQKWSA-N 357.410 2.694 0 50 FFAA CC(C)NC(=O)c1cc2c(s1)CCOC21CCN(c2ncccn2)CC1 1857687062 JTFCWAJCJUOIIA-UHFFFAOYSA-N 372.494 2.745 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857711855 GTGMDGUEUKORMS-FGTMMUONSA-N 368.481 2.613 0 50 FFAA CCn1ccnc1CNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cnsc1 1857716932 SNCFUOOBFYZAMX-FRQCXROJSA-N 373.526 2.809 0 50 FFAA CS(=O)(=O)Cc1ccc(-n2ccnc2-c2cccc3ccnn23)cc1 1857735966 WVRHHSANRFHTPY-UHFFFAOYSA-N 352.419 2.732 0 50 FFAA O=c1[nH]c(-c2cccc(CN3CCN4CCC3CC4)c2)nc2c1CCCC2 23399175 PCFYDNOMDDIXFO-UHFFFAOYSA-N 364.493 2.596 0 50 FFAA CCc1oc(C(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)cc1C(=O)O 375027401 NXRXWBHXWACFCG-CQSZACIVSA-N 356.378 2.768 0 50 FFAA COC(=O)c1coc(CSc2nc(=O)cc(O)n2C2CCCC2)c1 263900133 PWGSATVSOFSKPN-UHFFFAOYSA-N 350.396 2.736 0 50 FFAA COc1ccc(OCC[S@@](=O)Cc2nnc(Cc3ccccc3)o2)cc1 1875260334 ITCCLVDTBZPLHE-AREMUKBSSA-N 372.446 2.997 0 50 FFAA CCN1C[C@H](c2nc(-c3cccc(F)c3)nn2C[C@@H]2CCCO2)CCC1=O 1875348838 DMUNZVFXDBXDKX-WBVHZDCISA-N 372.444 2.989 0 50 FFAA CC(C)Cn1ncc2cc(C(=O)N3CCO[C@@H](c4ccoc4)C3)cnc21 1875321129 VQJAKKRYHYJHLF-QGZVFWFLSA-N 354.410 2.894 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@H]1CC[C@@H]1n1cc(-c2ccccc2)cn1 1875313998 CCOFBGRZSDQETI-CGNNYBMUSA-N 353.422 2.737 0 50 FFAA CCOCc1nc(C)cc(=NC[C@H](O)COc2ccccc2C(C)C)[nH]1 1875353871 JEXOQQOPESXHNV-INIZCTEOSA-N 359.470 2.719 0 50 FFAA CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C[C@@H]2C[C@]24CCOC4)CC3)o1 1875406907 OSPRMQLCXMWNPI-IAGYGMIVSA-N 358.482 2.948 0 50 FFAA O=C1CC[C@@H](NC(=O)N(CC(F)F)C2CCC2)[C@H](c2ccccc2)N1 884417867 STEMRRDQMZEGIT-PBHICJAKSA-N 351.397 2.836 0 50 FFAA CCN1C(=O)C[C@@H](CNC(=O)Cc2ccccc2C)[C@@H]1c1cccnc1 886035053 WXIRIXMOJKNFRN-RXVVDRJESA-N 351.450 2.658 0 50 FFAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2Cc1cccc(O)c1 2100480706 RJAIKQZCVIYHEU-WFXMLNOXSA-N 358.482 2.653 0 50 FFAA Cc1c(C(=O)NC(C)(C)c2noc(CN(C)C)n2)[nH]c2cc(F)ccc12 2325771929 CIGALIUQBFYGEE-UHFFFAOYSA-N 359.405 2.725 0 50 FFAA O=C(Nc1ccc2c(n1)CCC2)[C@H]1CCc2nc(C(F)(F)F)cn2C1 2325780123 JHSFNFRINFEOKV-NSHDSACASA-N 350.344 2.987 0 50 FFAA CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)Nc1nc(C[C@@H]3CCOC3)cs1)C2 2325781800 OCCXJRGCYGYIMF-DARAHFNDSA-N 364.515 2.859 0 50 FFAA Cc1cnccc1N1CCN(C(=O)Cc2cc3ccccc3c(O)n2)CC1 2325782355 RQKREZSUFSIOIU-UHFFFAOYSA-N 362.433 2.535 0 50 FFAA Cc1nc2sccn2c1CN(C)C(=O)Cc1cccc2c1CCNC2 2325795334 AOVSLEZODYIORV-UHFFFAOYSA-N 354.479 2.551 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccoc3C3CC3)C2)n[nH]1 2325842861 KVHXDYXGPLVZEB-CYBMUJFWSA-N 356.426 2.648 0 50 FFAA CCc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1 2325843188 YLOOGAUTXZYLAO-MRXNPFEDSA-N 354.454 2.740 0 50 FFAA Cc1ccc(-n2ccc(=NC(=O)c3cccc(C4(F)CNC4)c3)[nH]2)cc1 2325858344 JPZALUZZFDCDDZ-UHFFFAOYSA-N 350.397 2.623 0 50 FFAA CCC1(C(=O)N2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)CCC1 2325867007 HOIOPURJQAJNKL-UHFFFAOYSA-N 357.498 2.613 0 50 FFAA CCOC(=O)C(CC)(CC)CNC(=O)c1c(C(F)F)nc2cnccn12 893130108 IRRIPUBQARXZBO-UHFFFAOYSA-N 368.384 2.766 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1117271 UZFPDBVYJRPUII-LLVKDONJSA-N 368.842 2.702 0 50 FFAA COCc1cc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)ccc1OC 2356150286 VEWVPXHSCKHSBR-NRFANRHFSA-N 358.482 2.961 0 50 FFAA CCn1cc([C@H](C)NC(=O)c2nn(C)c(C)c2Br)c(C)n1 2758720 GZXYGQPQQACDFG-QMMMGPOBSA-N 354.252 2.507 0 50 FFAA COc1ccc(-n2nnnc2SCCC(=O)Nc2ccccc2)cc1 6230652 OCGZBNBBOBUUEW-UHFFFAOYSA-N 355.423 2.792 0 50 FFAA COc1cc(CNS(=O)(=O)Cc2cccc(C)c2)cc(OC)c1OC 10543880 DAFLXOHTZWACRF-UHFFFAOYSA-N 365.451 2.640 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)NC1C3CC4CC(C3)CC1C4)C(=O)CO2 10820926 DBYLJOUEFUIBKW-UHFFFAOYSA-N 354.450 2.661 0 50 FFAA CN[C@H]1CCCN(C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)C1 133740712 KOJCOYUFPHFZKU-INIZCTEOSA-N 357.502 2.772 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(NC(=O)C2CCCCC2)c1 112655087 LBFQNFWSKBSGII-QGZVFWFLSA-N 367.453 2.542 0 50 FFAA COc1cccc(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)c1 55062942 PGSQYQQAINORNZ-QGZVFWFLSA-N 353.466 2.695 0 50 FFAA COc1c(C)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1C 247663716 QEUIWONYOKLWIT-DYVFJYSZSA-N 363.483 2.780 0 50 FFAA CCOC(=O)c1n[nH]cc1CN(C)Cc1nc(-c2cccc(C)c2)no1 55325561 HVSARJCUKNABFF-UHFFFAOYSA-N 355.398 2.577 0 50 FFAA Cc1ccc(-c2nnc(CCC(=O)NCC(C)(C)CN(C)C)o2)s1 20513439 GUDWYZHKPHJVHR-UHFFFAOYSA-N 350.488 2.743 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2c(C)noc2C)[C@@H](C)C1 20906240 YSKXNUXHDFQXKN-AWEZNQCLSA-N 357.454 2.970 0 50 FFAA Cc1cc(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)nc(C)n1 23312210 MFYYIKLIYBZEAM-UHFFFAOYSA-N 354.458 2.820 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1nc3ccccc3[nH]1)C2 67740940 WDCLNYUUOCDHMY-CYBMUJFWSA-N 367.453 2.857 0 50 FFAA CC(C)N1CCCn2nc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2C1 65396031 AWJPPXWVXNDBSV-GOSISDBHSA-N 368.481 2.573 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2nc(C)nc3c2CCNC3)n1 67966836 IAEUQVNTUONFRF-JTQLQIEISA-N 368.407 2.703 0 50 FFAA CN1C(=O)c2ccc(NC(=O)CN[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2C1=O 253418247 MWTSNBCNCNCQJO-PTPDTQQLSA-N 369.465 2.655 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 329769227 HMYWPJCUHXQKTO-UONOGXRCSA-N 359.430 2.639 0 50 FFAA CCOC(=O)c1cnn(-c2ccc(F)cc2)c1CNCc1cn(C)nc1C 23130659 DRTUWSMRWVTVJH-UHFFFAOYSA-N 371.416 2.520 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)O)CC1=O 120182999 NMCNKJXDSDPABR-NRSFXHEJSA-N 372.465 2.746 0 50 FFAA CCOc1ccc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1Cl 67756731 XJWNQZAVMGHDBL-UHFFFAOYSA-N 365.905 2.591 0 50 FFAA CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)c1cccc(Br)c1 331214742 NHMZSKHPJSFJOQ-ILXRZTDVSA-N 356.260 2.660 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 215284810 GJCDWHMGKYHHOZ-LBPRGKRZSA-N 351.390 2.842 0 50 FFAA CC(C)[C@]1(C)N=C(O)N(Cc2ccc(S(=O)(=O)C(C)C)cc2)C1=O 330795813 XFVFOFHXMWGODQ-KRWDZBQOSA-N 352.456 2.540 0 50 FFAA O=C(CCc1cc(=O)[nH]o1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72430887 CDIBICJEKZJDTG-OAHLLOKOSA-N 358.373 2.670 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)C(C)(C)OC)[C@@H]3C4CCN(CC4)[C@H]23)c1 72138980 MDWRPKLAAFCUKC-IPMKNSEASA-N 358.482 2.509 0 50 FFAA CC(C)(C)C(=O)NC1CCC(C(=O)N[C@H](CO)c2cccc(F)c2)CC1 331319360 BJGZUQWQJMEQHT-QWFMPGPPSA-N 364.461 2.696 0 50 FFAA COc1ccc2c(c1)CN(C(=O)Nc1cnn(C[C@@H]3CCCO3)c1)CC2 363254359 DPSYFCMEAFIEGM-SFHVURJKSA-N 356.426 2.661 0 50 FFAA COc1ccc(-c2noc(CN[C@]3(CO)CCOc4ccccc43)n2)cc1 239527618 ATLPWZVVOWBCBW-FQEVSTJZSA-N 367.405 2.505 0 50 FFAA CN(C(=O)C[C@@H](O)c1cccc(F)c1)C1CCN(c2ccccn2)CC1 367397539 WFXMXHSRJDZLTH-GOSISDBHSA-N 357.429 2.772 0 50 FFAA Cc1ccc(-n2cc(C(=O)Nc3cccc(-c4ncn(C)n4)c3)nn2)cc1 126920260 DWGUEAVPGLJSEU-UHFFFAOYSA-N 359.393 2.624 0 50 FFAA CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1c1ccccc1)CC2 332924126 XXCCWFWAPDWOJS-DOTOQJQBSA-N 353.470 2.502 0 50 FFAA C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CC1CCC(=O)CC1 333679460 KXAVZEFABVFHSQ-OAHLLOKOSA-N 364.511 2.979 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN[C@@H](C)C3)cc12 237760508 NOOIVENPFKPDAH-NSHDSACASA-N 358.442 2.968 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(N3CCOCC3)nc1)O2 375673185 ORWYYMOIEVHOMG-SFHVURJKSA-N 353.422 2.559 0 50 FFAA COc1ccc([C@@H]2CN(Cc3snnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72134430 QOBDBARQWLYCPI-DFQSSKMNSA-N 370.522 2.917 0 50 FFAA CC(C)SCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72121629 FGVJVSOPSIPRNJ-UHFFFAOYSA-N 371.510 2.631 0 50 FFAA CC(C)Oc1ccc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c(F)c1 284601544 IPOTXJOJHAZGAM-ZDUSSCGKSA-N 355.431 2.766 0 50 FFAA Cc1nc(O)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1Br 263445845 QWZNLRPGOVXADG-SNVBAGLBSA-N 371.231 2.575 0 50 FFAA O=C1C[C@@H](NCc2cc(=O)c3ccccc3[nH]2)CN1Cc1ccc(F)cc1 20256841 GWJIIVJISXBMMJ-QGZVFWFLSA-N 365.408 2.558 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N(C)Cc1nc(O)c2ccccc2n1 426425158 GPRXEIJVSQHYTH-ZDUSSCGKSA-N 353.426 2.875 0 50 FFAA Cc1ccccc1[C@@]1(CC(=O)NCCc2cnn[nH]2)CCOC(C)(C)C1 426674389 ZEGSSTGJCABCMN-HXUWFJFHSA-N 356.470 2.689 0 50 FFAA CN(C(=O)c1cnc(Cl)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 178252852 KLKHMMYVEBXMAD-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA CNCc1nnc(SC[C@@H]2CCC[C@H](N)C2)n1-c1cccc(OC)c1 426422902 LSLQSMCRBCDNSE-KGLIPLIRSA-N 361.515 2.605 0 50 FFAA Cc1cccc(N2C[C@@H](C)N(C(=O)Cc3ccc(O)c(F)c3)CC2=O)c1 82108567 VSCRHUWYVKYAMF-CQSZACIVSA-N 356.397 2.646 0 50 FFAA C[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2OCCCN)C1 426647926 NBCHURPQGUGSCD-CQSZACIVSA-N 353.894 2.529 0 50 FFAA CSCCN1CCN(C(=O)c2ccc(-c3cccc(CO)c3)cc2)CC1 426562864 JGGDJYKBEAVFRP-UHFFFAOYSA-N 370.518 2.967 0 50 FFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc3ccccc3c2)CN1C(C)C 20600431 YWIVBTOLHCDKBX-RTWAWAEBSA-N 369.509 2.543 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccc(OC)c(F)c3)C[C@H]2C(=O)O)c1 91444504 JEOPPXBBMOQUCP-JKSUJKDBSA-N 373.380 2.783 0 50 FFAA O=C(CCn1nnc2ccccc21)N1CC(Oc2ccccc2Cl)C1 91425232 KWOSMECXYQCHOQ-UHFFFAOYSA-N 356.813 2.765 0 50 FFAA NC(=O)c1ccnc(N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3)C2)c1 426584102 SNTADBJHAOPMMI-NRFANRHFSA-N 368.456 2.812 0 50 FFAA CN1CCC(CN2CCN(Cc3cc(O)c4cc(F)ccc4n3)CC2)CC1 92065639 PTKMEDBLOGYIGL-UHFFFAOYSA-N 372.488 2.539 0 50 FFAA Cn1ccc2ccc(C(=O)N3CC(Oc4ccc(C(=O)O)cc4)C3)cc21 95498113 SDDLSBOIYLOOSV-UHFFFAOYSA-N 350.374 2.780 0 50 FFAA O=C1CC[C@H](c2nc(-c3cn4ccccc4n3)no2)CN1Cc1ccccn1 91664725 XNQQRICDNITYOS-AWEZNQCLSA-N 374.404 2.686 0 50 FFAA O=C(c1ccc(-c2ccccc2Cl)o1)N1C[C@H](O)[C@@H](N2CCCC2)C1 91390657 BAPZEWNPNXJEFX-HOTGVXAUSA-N 360.841 2.881 0 50 FFAA COc1ccc2nc(NC3CCN(c4cccnn4)CC3)c(C)nc2c1 292951116 CAWLAOXHKBZOPD-UHFFFAOYSA-N 350.426 2.818 0 50 FFAA CC(C)=CCN1CCc2nc[nH]c2C12CCN(Cc1cn(C)nc1C)CC2 97744646 SWBVDFCZNBRHNM-UHFFFAOYSA-N 368.529 2.767 0 50 FFAA COc1ccc(Cn2cc(-c3nc(N4CCCCC4)n(C)n3)cn2)cc1 96133414 MLYPVRIDZACZLG-UHFFFAOYSA-N 352.442 2.726 0 50 FFAA Cc1nnsc1CNC(=O)Nc1cc(C(=O)NC(C)C)ccc1Cl 97155807 ZPHKJSUMRDAXCD-UHFFFAOYSA-N 367.862 2.960 0 50 FFAA CS(=O)(=O)Nc1cccc(NC(=O)N2CCC(c3ccncc3)CC2)c1 95501240 XPBYMWKDAFJHMJ-UHFFFAOYSA-N 374.466 2.865 0 50 FFAA Cn1nnc2cc(NC(=O)N(Cc3ccncc3)C[C@H]3CCCO3)ccc21 97784839 GAZGXWJRBMDPKZ-MRXNPFEDSA-N 366.425 2.576 0 50 FFAA CC(C)c1nnc2n1C[C@H](N[C@H]1CCN(Cc3ccccn3)C[C@H]1C)CC2 180518728 LLVXCFXKRBBXIU-QRQLOZEOSA-N 368.529 2.612 0 50 FFAA CN(CCSc1ccccc1)C(=O)c1coc(CN2CCOCC2)c1 97272501 HFDBIIUCAXZBAR-UHFFFAOYSA-N 360.479 2.976 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244795460 RGUXPBZFKXNMRX-LESCRADOSA-N 366.421 2.626 0 50 FFAA O=C(c1cc2n(n1)CCC2)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 295463795 FSRGKHOYVLCCBO-JTQLQIEISA-N 353.348 2.591 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cnc2c(F)cccc2c1O 253534858 LSLGEABPSZZGLG-PSTGCABASA-N 367.380 2.717 0 50 FFAA O=C(CCCN1Cc2ccccc2C1=O)NC[C@H]1CCCN2CCCC[C@@H]12 252537332 KYNQLAGHPHZDIB-XLIONFOSSA-N 369.509 2.803 0 50 FFAA Cc1cnc(C(C)(C)NCC(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 183920718 BSDHCMOHMFEJFW-UHFFFAOYSA-N 372.494 2.807 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccs2)CNC3=O)c1 263615686 DQPUNQKZFTYMAB-QGZVFWFLSA-N 354.435 2.652 0 50 FFAA Nc1nc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)cc(=NC2CC2)[nH]1 534633004 UOORQABIUDABDN-UHFFFAOYSA-N 373.407 2.593 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Cc2ccc(F)cc2)CC1 272533053 AXVFNCDJWMLIIS-KRWDZBQOSA-N 373.472 2.801 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 299788720 ZTAHCNZWGVTCNS-GOSISDBHSA-N 362.445 2.705 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 298007075 ATIMYEVQZNXNHW-AWEZNQCLSA-N 355.467 2.833 0 50 FFAA CCNC(=O)N1CCC(NC(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 299790314 BPXURFGQYUJWAH-UHFFFAOYSA-N 367.449 2.983 0 50 FFAA C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ncnn1C 299782083 SHLXKSFHJRLHSE-AWEZNQCLSA-N 370.457 2.714 0 50 FFAA Cc1cc(-c2ccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2)c(O)nn1 584885990 QMYZIBMFMVIDSS-NSHDSACASA-N 351.410 2.550 0 50 FFAA O=C1NC[C@]2(CCCN(C(=O)NCCCc3ccc(Cl)cc3)CC2)O1 584885195 SRSHARKNEMUAAS-GOSISDBHSA-N 365.861 2.947 0 50 FFAA Cc1oc2c(c1C(=O)NCc1csc(-c3cnccn3)n1)C(=O)CCC2 828135262 DQIHZQLGCKWOIN-UHFFFAOYSA-N 368.418 2.951 0 50 FFAA O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2Cl)CN1C1CCCC1 670453459 OWERGWGOXYXXOW-LLVKDONJSA-N 374.865 2.549 0 50 FFAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@H]1NCCc2nc[nH]c21 952989275 CMLNGPDYEKQSFI-GOSISDBHSA-N 367.453 2.672 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)Cc2ccc(C(C)=O)cc2)C1 268416395 VLIACQXRWFHEIC-SFHVURJKSA-N 352.434 2.835 0 50 FFAA CN(Cc1cccc2cccnc12)S(=O)(=O)c1ccc2oc(O)nc2c1 952989036 BRMLGLPMMUAGME-UHFFFAOYSA-N 369.402 2.902 0 50 FFAA C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 408474938 ZVVVFJISXSNHSS-NUJGCVRESA-N 373.501 2.738 0 50 FFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 269652885 DQLFIQRNIYYSOX-SJORKVTESA-N 369.490 2.608 0 50 FFAA COc1nc(N2CCCCCC2)nc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 170656919 RCFIMJIDZJOAQQ-KFWWJZLASA-N 361.490 2.510 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cncc4ccccc34)CCO2)o1 275228177 AIKFZGFFKDTWHC-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3cc(F)cc(Cl)c3O)CCO2)cn1 191786654 LNZPTWOYDUDROB-CQSZACIVSA-N 353.781 2.615 0 50 FFAA O=C(NCCCn1cccn1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1775978416 NMJSZDNHODZPTD-HNNXBMFYSA-N 367.478 2.713 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)cc2)o1 1772710018 UEOBCOQQHNNIOX-UZLBHIALSA-N 355.390 2.818 0 50 FFAA COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(F)cc1 12274368 POLZWKHVKMBLGC-LLVKDONJSA-N 373.413 2.929 0 50 FFAA Cc1cccnc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12435900 MDBVZQMHXVMZJH-QGZVFWFLSA-N 369.440 2.926 0 50 FFAA COC(=O)CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2C)C1 12581275 YQZYOEPUEHCAAZ-SFHVURJKSA-N 360.498 2.661 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cnccn2)C1 14979376 QTWJARCSZPOVGZ-QGZVFWFLSA-N 368.481 2.512 0 50 FFAA O=C(NC[C@@H]1CCn2ccnc2C1)Nc1cccc(=Nc2ccccc2)[nH]1 1857527473 QHPMWEARCVQTIO-OAHLLOKOSA-N 362.437 2.828 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2 1857700539 WCLFLGHUBXUHCF-UHFFFAOYSA-N 361.449 2.929 0 50 FFAA CCCCS(=O)(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857716384 JMUOQFXWXFBRIZ-OALUTQOASA-N 366.527 2.654 0 50 FFAA Cc1ocnc1C(=O)N1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 1857726456 RSYRWLAHTPTTAD-UHFFFAOYSA-N 370.453 2.896 0 50 FFAA O=C(NCCc1cc[nH]n1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857733302 DKPMDZKHRQRLHC-GFCCVEGCSA-N 373.844 2.780 0 50 FFAA O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCOCC1 2694554 LFYLXGDMELEHEI-UHFFFAOYSA-N 369.490 2.973 0 50 FFAA O=C(CN1CCCS1(=O)=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 117191874 ZPQXCIONBMRXQQ-MRXNPFEDSA-N 370.902 2.819 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)[nH]n1 117849521 GZCNAVQNOISVDZ-QGZVFWFLSA-N 370.453 2.923 0 50 FFAA CC(C)(O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 331802645 IXALAJNMCSMHNF-UHFFFAOYSA-N 367.902 2.925 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)O)c1ccc(C)cc1 236685251 OLKCOEHOGZWTKF-ROUUACIJSA-N 360.454 2.808 0 50 FFAA COc1cc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)ccc1Cl 333293310 OXECXEHDHNKISR-GDBMZVCRSA-N 352.862 2.707 0 50 FFAA Cc1ccc(CN2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)cc1 12028473 JROHLRBYEITVSH-IBGZPJMESA-N 367.497 2.735 0 50 FFAA COc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cccs2)O3)nn1 12126186 YUPAEDJKMGKXGQ-CQSZACIVSA-N 367.430 2.947 0 50 FFAA Cc1nc(N2CCN([C@@H]3CCN(c4ccccc4F)C3=O)CC2)sc1C 157431945 OEZURMPQDBYJII-QGZVFWFLSA-N 374.485 2.827 0 50 FFAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(C(=O)OC)oc2C)[nH]n1 163186313 ZAXLRNMRWHSVEE-SECBINFHSA-N 355.416 2.802 0 50 FFAA CC1(C)CN(C(=O)[C@@](C)(O)c2ccccc2C(F)(F)F)[C@H]2COC[C@H]21 843903107 JIWWBIZWGSRERU-KEYYUXOJSA-N 357.372 2.796 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)Cn3ccc(C(F)(F)F)n3)cc2)no1 1875297147 DVRHABUXGJQNAL-UHFFFAOYSA-N 365.315 2.577 0 50 FFAA Cc1cc(CN[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)no1 1875398700 BMBCLKCCUPKODL-ATZDWAIDSA-N 352.438 2.776 0 50 FFAA Cc1cc(N2C[C@H](C)C[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C(C)C)n1 1875330537 SIDGDDBSMSYSJN-DGCLKSJQSA-N 373.423 2.523 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2)C1 1875371278 VUKQVDOWAZZGTH-SJORKVTESA-N 373.472 2.644 0 50 FFAA O=C(O)CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1COc2ccc(F)cc2C1 1324625994 VZFNWUSPIMTFKU-FUHWJXTLSA-N 371.408 2.969 0 50 FFAA CCNC(=O)N1CCC(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)CC1 2325780284 VRCZNDVUKMSHRO-UHFFFAOYSA-N 369.469 2.869 0 50 FFAA c1ccc(CCc2nc3n(n2)CCN(Cc2ccc4c[nH]nc4c2)CC3)cc1 2356133750 BBTFYGZFVUAVTD-UHFFFAOYSA-N 372.476 2.998 0 50 FFAA COc1cnccc1-c1ccc(C(=O)NC[C@H](O)c2cccc(O)c2)cc1 2356135857 WSBOLCVLGOZGTO-IBGZPJMESA-N 364.401 2.926 0 50 FFAA O=CNn1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 2507708 ZCTMGYAGAPFBCC-UHFFFAOYSA-N 369.406 2.501 0 50 FFAA COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 2825689 POHBANZIHXKVJD-UHFFFAOYSA-N 374.393 2.688 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cccc4ncnn34)CC2)O1 2356149587 KMRGKRVYALAZID-IAGOWNOFSA-N 358.486 2.650 0 50 FFAA COCCn1cncc1CN1CCC2(CC1)OCCc1cc(OC)ccc12 2356165636 MCVVNWDGRYQSQA-UHFFFAOYSA-N 371.481 2.602 0 50 FFAA COc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 10327248 XKTKKPJVKHHWDD-UHFFFAOYSA-N 369.446 2.573 0 50 FFAA COc1ccc(F)c(CNC(=O)C(C)(C)NC(=O)c2cccs2)c1F 55168190 RXAGAZJAXHVFHE-UHFFFAOYSA-N 368.405 2.860 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 24610973 OXOOKMUWHPHZMY-UHFFFAOYSA-N 364.511 2.596 0 50 FFAA Cc1cc(C)cc(OCCN(C)C(=O)CC[C@@H](C)N2CCN(C)CC2)c1 55182631 ZFLFBTDSENZEFT-LJQANCHMSA-N 361.530 2.557 0 50 FFAA Cn1ccnc1CN(CCO)C(=O)c1cccc(-c2cccc(F)c2)c1 65529339 MPSWUXWRBGOUON-UHFFFAOYSA-N 353.397 2.861 0 50 FFAA CC(C)C[C@@H](Nc1ncnc2sc3c(c12)CCNC3)c1ncnn1C 65375146 DXQMOJAISCYJGV-GFCCVEGCSA-N 357.487 2.665 0 50 FFAA O=C1C[C@H](c2cccc(Cn3cccn3)c2)c2c(nc3sccn23)CN1 65410219 LKUYVLJNIIMWSJ-OAHLLOKOSA-N 363.446 2.792 0 50 FFAA Cc1nc(CCN)cc(N2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 67688442 FZWNINOAEOYXGY-INIZCTEOSA-N 350.426 2.678 0 50 FFAA CCn1ncnc1NC(=O)c1cccc(CN(C)[C@@H]2CCOC(C)(C)C2)c1 65530949 CGIRLOZADDMZFL-QGZVFWFLSA-N 371.485 2.940 0 50 FFAA O=C(O)CNc1ccccc1C(=O)N1CCSC[C@H]1c1cccnc1 65460849 GVIRREXDXVANBW-INIZCTEOSA-N 357.435 2.508 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCN(C(C)=O)CC3)c(C)o2)cc1C 67688709 WKRIINWDJACZQF-UHFFFAOYSA-N 357.454 2.940 0 50 FFAA CC(C)(CO)CNC(=O)c1cc(COc2cccc3cccnc23)on1 67490017 JQEIBTOZIZXSBB-UHFFFAOYSA-N 355.394 2.550 0 50 FFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 252488096 IJLMBYANIHFNPS-NSHDSACASA-N 365.377 2.529 0 50 FFAA COc1cccc(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1OC 2799775 ZDUHVGQWYHTGGF-UHFFFAOYSA-N 356.357 2.735 0 50 FFAA COc1c(F)cc(CN2CCC(N3CCC[C@H](O)C3)CC2)cc1Cl 72438614 FEQGIALCWLSXBX-HNNXBMFYSA-N 356.869 2.909 0 50 FFAA COCCCN1CC[C@H](CNC(=O)c2c(C)c3cc(F)ccc3n2C)C1 215848629 GGGLVWPUUZUPSB-OAHLLOKOSA-N 361.461 2.714 0 50 FFAA COc1ccc2[nH]nc(CN3CCCC[C@H]3CCN3CCCC3=O)c2c1 77521281 VBWZZNVSPYZWLE-HNNXBMFYSA-N 356.470 2.939 0 50 FFAA CCn1c(C)ccc(C(=O)N(C/C=C/c2ccccc2)CCCO)c1=O 214948603 HKMODLNEPDVXSV-YRNVUSSQSA-N 354.450 2.715 0 50 FFAA Cn1c(CO)nnc1C1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 216125323 VNMSCZUTSGMGCH-UHFFFAOYSA-N 371.268 2.699 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)NCC3(O)CCCC3)c2C1 172205620 KONGNABYWIFUJX-UHFFFAOYSA-N 353.466 2.648 0 50 FFAA CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 35982652 KYJXOFNJEWVWQP-UHFFFAOYSA-N 356.797 2.685 0 50 FFAA Cc1c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cnn1CCC(C)C 332710216 CXKKJKPRPDZFPW-AEFFLSMTSA-N 363.502 2.535 0 50 FFAA c1ccc(-c2cc(N3CCN(c4ncccn4)CC3)n3nccc3n2)cc1 72144231 OLPCPKZKVWZFJM-UHFFFAOYSA-N 357.421 2.513 0 50 FFAA CCCc1ccc2nccc(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2c1 450259188 VOANIPPBOVQYTB-INIZCTEOSA-N 361.511 2.953 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@H]1Cn1cccn1 72423781 ZJWJWOPIVMTQGZ-IBGZPJMESA-N 363.465 2.919 0 50 FFAA CCOc1ccc(-c2ccc(CN3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)o2)cc1 72170420 XXLWTJPHFXQQNH-OBMJPTGESA-N 357.450 2.909 0 50 FFAA O=C(N[C@H]1CCCCNC1=O)c1cc(N2CCCCCCCC2)ccn1 71419113 ATEZQNIMKJAAQZ-KRWDZBQOSA-N 358.486 2.641 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N[C@H]3CC(=O)N(C4CCCCCC4)C3)c2c1 72152203 VVHLFHRZWZETPV-AWEZNQCLSA-N 354.454 2.925 0 50 FFAA CCS[C@@H](C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71749180 FINCSDMMKFIMHU-ZDUSSCGKSA-N 371.510 2.631 0 50 FFAA CC(=O)c1ccc(NC(=O)C(=O)N2CCCc3ccccc3CC2)cc1 453951554 LWSPYRMXBNYOQG-UHFFFAOYSA-N 350.418 2.845 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 44309915 ZBDCCCSDCYZFIE-QGZVFWFLSA-N 364.873 2.513 0 50 FFAA CC(C)c1nnc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)s1 49544497 IFISJRGNTGAJDC-UHFFFAOYSA-N 361.452 2.585 0 50 FFAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2oc(-c3ccccc3)nc2C)C1 286566645 YCVBKGALRULQSC-ROUUACIJSA-N 369.465 2.975 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)CCCCOc2ccc(Br)cc2)C1 178259162 LVXLBESCMHUHGJ-GFCCVEGCSA-N 370.243 2.931 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)NCCc1nc2ccccc2c(=O)[nH]1 40819519 MREXFJGHDLVGRL-UHFFFAOYSA-N 360.417 2.614 0 50 FFAA CN(CCc1ncon1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 426477877 IBUNIEPHNJSIDD-UHFFFAOYSA-N 359.389 2.995 0 50 FFAA COc1ccccc1C(=O)N1CCC(n2cc(-c3ccccn3)nn2)CC1 48482723 BKSVIHPTTMSTRP-UHFFFAOYSA-N 363.421 2.826 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2cc(C)nc3cc(C)cc(C)c23)[C@@H]2CCO[C@@H]21 220254203 QZDUSLIVPPYMPZ-QHERXFFYSA-N 354.450 2.940 0 50 FFAA CN1CCC(C2CCN(C(=O)c3cn4cc(Cl)cnc4n3)CC2)CC1 82115079 POMBUVICUDAWEZ-UHFFFAOYSA-N 361.877 2.577 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 96152436 HXSBQBVRZRUHLD-MRXNPFEDSA-N 370.453 2.916 0 50 FFAA CN1CC[C@]2(CCCN(C(=O)c3cccc(-c4ccc(C(N)=O)o4)c3)C2)C1 426575151 SMSJNBJBEFDXLF-OAQYLSRUSA-N 367.449 2.603 0 50 FFAA CCCn1ncc(C(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)c1C 92046733 KWJJGXHEBWVTGY-UHFFFAOYSA-N 360.483 2.563 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cnc(O)cc2O)C1 92028354 IIABYEKCOKLPHX-HXUWFJFHSA-N 370.405 2.707 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCCSc1ccccc1 426380200 ZQSGRTAVXFPWQH-MRXNPFEDSA-N 358.511 2.649 0 50 FFAA O=C(NC[C@]1(O)CCOC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 179378807 HQRWDTDZQMFFLY-MRXNPFEDSA-N 373.375 2.579 0 50 FFAA COc1nc2c(cc1C(=O)N1CCN(c3ccccc3C)CC1)CCC2 92107938 DEBBRURZKFPEBE-UHFFFAOYSA-N 351.450 2.850 0 50 FFAA Cc1ccnc([C@H](C2CC2)n2cc(Cn3c(=O)oc4ccccc43)nn2)c1 91737308 RLMHTJDTQBJTML-IBGZPJMESA-N 361.405 2.937 0 50 FFAA COCCn1cnnc1CCNC(=O)c1cc(Cl)c(C)c(Cl)c1 91655984 YESWZZQLJAJSJM-UHFFFAOYSA-N 357.241 2.512 0 50 FFAA CSCCc1nc(-c2cc(C3CC3)nc3onc(C)c23)n(CC(=O)O)n1 97631886 CADADVHHPBRQOJ-UHFFFAOYSA-N 373.438 2.657 0 50 FFAA Cc1cc(N2CCC(NC[C@@H]3CCCO3)CC2)nc(-c2ccccc2O)n1 95524115 GMLKJFCUBCWOGC-KRWDZBQOSA-N 368.481 2.895 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)N1CCC(c2n[nH]cc2C)CC1 97446982 KIJXRJYTKSYOCT-UHFFFAOYSA-N 369.469 2.808 0 50 FFAA C[C@@H](c1ccc(-c2cc(N)nc(N3CCOCC3)n2)cc1)N1CCCC1 97698683 JSPQWSMHVZMXSU-HNNXBMFYSA-N 353.470 2.719 0 50 FFAA COCCN1CC2(CCC1=O)CCN(Cc1ccc(OC)c(F)c1)CC2 91943622 VTMHDRLWDJGNOE-UHFFFAOYSA-N 364.461 2.685 0 50 FFAA O=C(Nc1ccc(Cl)c(F)c1)N1CCN(CC2CC2)[C@H](CCO)C1 96153988 VQTWEIBLOWCFDD-CQSZACIVSA-N 355.841 2.790 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(I)cc1 239174424 QABUSKAILYZTBL-RBJBARPLSA-N 365.170 2.603 0 50 FFAA CC(C)N1CCC[C@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 95353184 OCRHSIGOKZOOCT-IBGZPJMESA-N 357.542 2.887 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 92003540 FNLPAQHUWOSANR-FUHWJXTLSA-N 369.440 2.592 0 50 FFAA COCc1nc(NCc2nc3c(C)cccc3[nH]2)cc([C@H]2C[C@H](N)C2)n1 244678421 ICGQDCCBSZHOEJ-JOCQHMNTSA-N 352.442 2.625 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC[C@H]2CCCO2)cc1 248142940 TYOHTRVRUGQOHX-KURKYZTESA-N 359.422 2.938 0 50 FFAA O=C(CN1CCC2(CC1)c1ccccc1C[C@H]2O)Nc1ccc(F)cc1 244787808 QEBPCDFZGUOZMM-LJQANCHMSA-N 354.425 2.715 0 50 FFAA Cn1ccc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)ccc21 252550404 SNZOUFRLOZSIAT-MRXNPFEDSA-N 362.389 2.907 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)NCC1(Cn2cccn2)CC1 534658752 HBGVPJGGLMABJQ-UHFFFAOYSA-N 351.454 2.960 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc2c1OCC[C@@H]2O 185282209 DURQIHFHFYJCOX-KRWDZBQOSA-N 350.378 2.644 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2cc3[nH]cnc3c(C)c2C)CC1 299758025 KCURMTHBCWFRTA-UHFFFAOYSA-N 359.430 2.922 0 50 FFAA CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cnc3nncn3c2)cc1 584884312 UXSSTABZBSWTHQ-SFHVURJKSA-N 365.437 2.678 0 50 FFAA COCCN(CCOc1ccccc1F)C(=O)c1nn(C)c2ccccc12 952971333 JWOPLKALRZHFBX-UHFFFAOYSA-N 371.412 2.880 0 50 FFAA COc1ccc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)c(OC)c1OC 952987686 GAOADRFPWCGWHW-OAHLLOKOSA-N 374.437 2.700 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CCO1 268942534 FTHODCZSPUCXTO-USWWRNFRSA-N 358.221 2.799 0 50 FFAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ncccc1N(C)C 170595599 ATEICVCGNFXOOS-UHFFFAOYSA-N 356.817 2.942 0 50 FFAA CCc1onc(C)c1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 170613636 WGZBUGQZFJVWAA-UHFFFAOYSA-N 359.407 2.993 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3coc(-c4ccccc4)n3)CCO2)cn1 191801678 SVNLQWRFUPKUPI-KRWDZBQOSA-N 352.394 2.772 0 50 FFAA CC1=C(C(=O)N(C)Cc2cc3ccccc3o2)[C@@H](C)n2ncnc2N1C 192227209 UOUBMAWOVYIWOR-CYBMUJFWSA-N 351.410 2.968 0 50 FFAA C[C@@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 798179580 FZSPUNOVHGIHAL-LJQANCHMSA-N 353.353 2.739 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3cc(O)nc4cc(F)ccc34)C2)CCC1=O 1506412888 FWJPWXCCVZZUKI-FQEVSTJZSA-N 371.412 2.554 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1 1704342084 FTQGPLIPDYDKAG-INIZCTEOSA-N 369.465 2.852 0 50 FFAA Cc1cccn2ncc(C(=O)NC3CCN(C4CCSCC4)CC3)c12 1772710303 PYEJLYWYEVHRER-UHFFFAOYSA-N 358.511 2.733 0 50 FFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(C)C)c(OC)c1 5563893 MVWFDTDABRYOQY-MRXNPFEDSA-N 364.467 2.696 0 50 FFAA O=C(NCc1ccco1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 11945959 BWDOTXPARQLMSG-UHFFFAOYSA-N 367.361 2.931 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCC[C@@H]2CC)c1=O 12454314 MRGAUIBSXDPHQX-HNNXBMFYSA-N 361.486 2.659 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1=O 12459758 GWVUFHPXIPHBEC-GOSISDBHSA-N 368.836 2.580 0 50 FFAA CCOc1cc(Br)ccc1S(=O)(=O)NCc1cccnc1 16651656 DXBNLCMYGLUGOF-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccc(F)cc3Cl)C[C@]23CC[C@H]1O3 1857713085 DJGZIMXTTZJAMZ-GARXJVFOSA-N 352.837 2.660 0 50 FFAA Cc1ccc(F)cc1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857727358 PDRZWTXJRFWZOT-QEUVDIPISA-N 358.457 2.753 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@]23CC[C@H]1O3 1857728208 RRKQVIDSRJCNFS-GVUVQVDQSA-N 358.526 2.770 0 50 FFAA Cc1nc[nH]c1CC(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857731357 FMKXTRGWEKNLPL-PKOBYXMFSA-N 369.465 2.534 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(c3nc(C)nc4onc(C)c34)C[C@H]21 1857733290 CYHBDKHULMJPHF-BSLXNSKLSA-N 356.426 2.672 0 50 FFAA COc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)cn1 1857740866 QHMWEHHOQHDCBO-CSODHUTKSA-N 366.417 2.781 0 50 FFAA Cc1noc([C@@H](C)NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 330716959 DBXJHCZWKPNERJ-VXNVDRBHSA-N 359.352 2.735 0 50 FFAA CC1(C)CN(CC(=O)NCC(F)F)[C@@H]1c1nccn1-c1ccc(F)cc1 952892490 NUKMAMIBHUXTBL-MRXNPFEDSA-N 366.387 2.776 0 50 FFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1nc2c(s1)CCC2 1875265845 GOJJCVKNQPGNDI-IUODEOHRSA-N 373.478 2.776 0 50 FFAA CN(c1nc(COC(=O)c2cc(-c3ccncc3)nn2C)cs1)C1CC1 1875271170 LORXZOHFCYJUMB-UHFFFAOYSA-N 369.450 2.894 0 50 FFAA COC[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc2ccoc2c1 1875344248 IABFJUSMELBSFX-YOEHRIQHSA-N 360.454 2.976 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)nn1CC(F)(F)F 1875300937 WMLZGLZAZSVIGM-CQSZACIVSA-N 355.364 2.855 0 50 FFAA C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1S(=O)(=O)c1cnn2ncccc12 1875407609 DXZRZFFSNYNCRI-FMKPAKJESA-N 356.451 2.685 0 50 FFAA CC[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(c3ncnc(C)c3OC)C[C@@H]2CC1 1875408288 SFGSBLLIXZXDRQ-NCOADZHNSA-N 358.486 2.515 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(C(=O)c3coc4c(C)cccc34)C2)n1 886088405 GOGKCXQPIWSBAS-IBGZPJMESA-N 355.394 2.642 0 50 FFAA Cc1nnc(N2CC[C@@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)s1 2100482703 RVQCHLYIJULZKF-CRAIPNDOSA-N 361.467 2.511 0 50 FFAA COC(=O)c1cc2cc(COC(=O)[C@@H]3CC[C@H]([C@@H]4CCCO4)O3)ccc2o1 2325781133 OGGFOFLMNHCENX-BBWFWOEESA-N 374.389 2.989 0 50 FFAA C[C@@H](CNCc1ccccc1N1CCS(=O)(=O)CC1)CC(F)(F)F 2325788464 HZSLQQNPQMNRPN-CYBMUJFWSA-N 364.433 2.600 0 50 FFAA O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCO[C@@H](C2CC(F)(F)C2)C1 2325791393 UZAZTBGZWOCJMR-MRXNPFEDSA-N 365.355 2.898 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 2325888271 BIIPFWMISUOZOP-UHFFFAOYSA-N 369.465 2.676 0 50 FFAA c1ccc(-c2ccc(CN3CCN(Cc4cncs4)CC3)cn2)nc1 931357587 CHUIJSDNHJKYAA-UHFFFAOYSA-N 351.479 2.918 0 50 FFAA CC(=O)Nc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)sc2c1 787318 PYLLRWCFXLQDFD-GFCCVEGCSA-N 365.480 2.642 0 50 FFAA CCOC(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 795933 OXYVPOBKFYKWPJ-UHFFFAOYSA-N 365.389 2.520 0 50 FFAA CN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1124394 KMYHNEPFZPLDMJ-UHFFFAOYSA-N 372.368 2.965 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)no1 2214071 DEYAWCLYIKLXJK-UHFFFAOYSA-N 359.363 2.779 0 50 FFAA CCCC(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1 2859480 JFOBEBULOGNYLY-UHFFFAOYSA-N 360.468 2.774 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)CCc2nc3ccccc3s2)C1=O 2356167770 BGDLMTPOOSOLTE-LJQANCHMSA-N 357.479 2.842 0 50 FFAA Cc1ccc(C)c(OCC(=O)NCc2nc(-c3cccnc3)no2)c1C 55053704 OUEMICFIJNWFFM-UHFFFAOYSA-N 352.394 2.752 0 50 FFAA Cc1csc(CCCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 112283505 DNGGIEBKZQLTHO-JKSUJKDBSA-N 363.527 2.929 0 50 FFAA Cc1cc(C)cc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 109200810 JXDOHFZYKJHKTQ-KRWDZBQOSA-N 351.406 2.773 0 50 FFAA Cc1ccccc1CN(CCN(C)C)C(=O)c1ccc(S(C)(=O)=O)cc1 55282983 MYZVUTMNVVJUCD-UHFFFAOYSA-N 374.506 2.603 0 50 FFAA Cn1cnnc1CCNC1CCN(c2ccc(-c3ccco3)cc2)CC1 23338390 NQHKXNJEAUEFKL-UHFFFAOYSA-N 351.454 2.876 0 50 FFAA C[C@H](c1cccc(-c2cc(N3CCOCC3)nc(N)n2)c1)N1CCCC1 65372424 HRIPSDGHCYDWAW-OAHLLOKOSA-N 353.470 2.719 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCCN(Cc2ccncc2)CC1 20539607 LZFRPZMLHXKCRH-QGZVFWFLSA-N 370.522 2.916 0 50 FFAA O=C(CN1CCN(CCO)CC1)c1ccccc1Sc1ccccc1 22862696 OPSFDTMGGIGADA-UHFFFAOYSA-N 356.491 2.630 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 117788638 KBTKYRHWEJUGOS-PKOBYXMFSA-N 353.466 2.530 0 50 FFAA CSc1cccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1 65363048 SLSWZASJXRJTQB-UHFFFAOYSA-N 369.454 2.618 0 50 FFAA Cc1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)nn1-c1ccccc1C(C)C 136129332 WWPDKAPRXOBGEK-CQSZACIVSA-N 356.426 2.636 0 50 FFAA CC(C)c1nsc(NC(=O)c2cccc(CN3C[C@@H]4CC[C@H](C3)N4)c2)n1 65509264 RWEOESZQCIFYIK-IYBDPMFKSA-N 371.510 2.850 0 50 FFAA CCc1cnc(-c2cccc(-c3ccn(C[C@@H]4COCCO4)n3)c2)nc1 20601013 KJSWMEFPHAGBAG-GOSISDBHSA-N 350.422 2.985 0 50 FFAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1(C)C 229657681 HNEZXNRUMSUGRW-MAZHCROVSA-N 350.484 2.750 0 50 FFAA Cc1ccc([C@H](NC(=O)CN2CCC[C@@H](c3n[nH]c(C)n3)C2)C2CC2)cc1 229885541 VBTBPAMJMNTWHP-QUCCMNQESA-N 367.497 2.868 0 50 FFAA COc1ccccc1CN1CCN(C(=O)c2ccnn2C2CCCC2)CC1 330078422 NPQSAQZAOOHBTH-UHFFFAOYSA-N 368.481 2.965 0 50 FFAA O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCc2cn[nH]c2C1 252523268 CFLUWGMZVXJJLW-GOSISDBHSA-N 360.417 2.689 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N(C)Cc3nncn3CCOC)c2c1 77378198 UDAJLKFWWYCLOS-UHFFFAOYSA-N 367.453 2.616 0 50 FFAA COc1ccc(CN(C)c2nccc(-c3cc(C(=O)O)ccn3)n2)cc1 71763757 YNTBSCOVIWXPMD-UHFFFAOYSA-N 350.378 2.882 0 50 FFAA COc1cc2c(cc1-c1nccn1-c1ccc(S(N)(=O)=O)cc1)CCC2 71775797 SIVJIJDOBDPPIG-UHFFFAOYSA-N 369.446 2.684 0 50 FFAA Cc1[nH]c2ccc(CNc3cncc(C(=O)N4CCOCC4)n3)cc2c1C 71746444 YQSCXNWBGKPNKW-UHFFFAOYSA-N 365.437 2.659 0 50 FFAA CN1C(=O)C[C@@H](CNCc2cccc(Cl)c2F)[C@@H]1c1cnn(C)c1 328643880 ZAXZOWAXQAKNLC-YVEFUNNKSA-N 350.825 2.522 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc([S@](C)=O)cc2)n1C 328655154 YBXKVDHBZDVREH-QYBDOPJKSA-N 373.522 2.849 0 50 FFAA CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 7436604 HJBMZPJEDGZGDD-GFCCVEGCSA-N 369.259 2.663 0 50 FFAA CC1=CCCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1 281968612 ZCFIHIUNGIVPSK-UHFFFAOYSA-N 365.499 2.577 0 50 FFAA CSc1ncc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1 219898015 FRHBSLIRTWUQEZ-UHFFFAOYSA-N 370.478 2.755 0 50 FFAA C[C@@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)[C@@H]1CCCNC1 262600648 BZUYZTYNZOSMNY-PKOBYXMFSA-N 363.546 2.653 0 50 FFAA C[C@@H](Oc1ccc(CN2CCC(c3ncn[nH]3)CC2)cc1Cl)C(=O)O 215230486 MDUNHTSBLXLEDA-LLVKDONJSA-N 364.833 2.690 0 50 FFAA CS(=O)(=O)Cc1noc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)n1 368549965 VBLXZPWTDLPNRO-YJBOKZPZSA-N 361.467 2.516 0 50 FFAA CN(Cc1nc2ccccc2s1)C(=O)c1cnc(N)nc1C(F)(F)F 215588636 IMBFFOIAACOETE-UHFFFAOYSA-N 367.356 2.960 0 50 FFAA COc1cc(/C=C/C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc(Cl)c1OC 237164032 DTBYYFVPZZQLJT-XFUXEANSSA-N 352.862 2.956 0 50 FFAA O=C([C@H](O)C1CCCCC1)N1CCC(O)(c2c(F)cccc2F)CC1 375358095 WUZMRKUYZXKMJY-QGZVFWFLSA-N 353.409 2.716 0 50 FFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1cccc([C@@H]2CCOC2)c1 262849197 HPSQVMQTYBLKLU-AEFFLSMTSA-N 357.381 2.928 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)ccc2n1 159140323 UXTRFYMIKOPKIZ-GOSISDBHSA-N 351.450 2.922 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCc3noc(C4CC4)n3)cc2)n1 72425732 TWQSJCHUKQWZGF-UHFFFAOYSA-N 365.437 2.781 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(c2ncc(Cl)cc2F)CC1 77565604 FIQIVUSLRSGUEK-UHFFFAOYSA-N 366.872 2.931 0 50 FFAA Cc1cc(NC(=O)N(C)CC[C@@H]2CCCCN2C)n(-c2ccccn2)n1 174698973 QPUQJRPLJMAFPW-INIZCTEOSA-N 356.474 2.914 0 50 FFAA CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cccnn1 82139007 FEYKCSMJXOIHGV-HNNXBMFYSA-N 368.437 2.533 0 50 FFAA Cc1cc(CN2CCN(CCO)CC2)c(C)c(CN2CCCC[C@@H]2C)c1 223741463 VASSKACGIKSVRO-IBGZPJMESA-N 359.558 2.788 0 50 FFAA CC(=O)N1CC2(CCN(c3nccc4ccccc34)CC2)C[C@@H]1C(=O)O 82115785 AQOOSOYOAPGSFN-QGZVFWFLSA-N 353.422 2.527 0 50 FFAA COc1ccccc1-n1cc([C@H](C)NC(=O)c2ccn(C(F)F)n2)cn1 220156342 ZVKLRBNZSZAMPI-NSHDSACASA-N 361.352 2.964 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)C1 426401591 AZTZOVBQRXDVBT-CQSZACIVSA-N 367.449 2.744 0 50 FFAA O=C(O)c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 95376638 FCDHLCIRBKCXIQ-CRAIPNDOSA-N 365.433 2.516 0 50 FFAA O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N(Cc1nccs1)C1CC1 95521777 WPFAUPKMKLTLIP-OAHLLOKOSA-N 357.435 2.828 0 50 FFAA Nc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91818090 HCYVAIVJOLDBCV-DZGCQCFKSA-N 355.463 2.707 0 50 FFAA Cc1nnc(SCCNC(=O)c2cccc([C@H]3CCCNC3)c2)s1 95391486 IZOCOHUQFRCTIB-HNNXBMFYSA-N 362.524 2.836 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(-c2cncc(N)c2)cc1)c1ncnn1C 426622920 KBHIFVVMPCGNDG-GOSISDBHSA-N 364.453 2.977 0 50 FFAA CNC[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)C1 237307925 ZGWZUUVTILEOOD-PSKZRQQASA-N 352.862 2.828 0 50 FFAA COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(C4CC4)C3)CCCC2)cc1 91746568 MVISUVGWVIKFGS-HNNXBMFYSA-N 356.466 2.634 0 50 FFAA COCC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 95357058 YRJMPWYSRRGEIV-UHFFFAOYSA-N 372.509 2.890 0 50 FFAA NC(=O)c1ccc(OCC[C@@H](O)N2CC=C(c3ccc(F)cc3)CC2)cc1 25759127 LDKDSVXYORIIBQ-HXUWFJFHSA-N 370.424 2.801 0 50 FFAA biogenic Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 95360064 ISEBYHKMGXSZDN-KRWDZBQOSA-N 370.501 2.736 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N[C@@H](C)c2nc3c(s2)CCCC3)n1 95352466 YOCUPFPMCLELDQ-VIFPVBQESA-N 352.485 2.697 0 50 FFAA COCCc1ncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cn1 91416998 XLLQRVUJQOYBHB-PZJWPPBQSA-N 366.509 2.762 0 50 FFAA O=C(COc1ccccc1O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 96153938 ULIZNWSYUABBKR-UHFFFAOYSA-N 367.380 2.885 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cc2cc(C)ccc2n1C 97436818 BVSFMVYFKUMQDO-CQSZACIVSA-N 355.442 2.606 0 50 FFAA CCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(C)c4)C(=O)[C@H]13)O2 239259388 ZDCDBZQIBWZIQY-JEWRLFTDSA-N 361.825 2.888 0 50 FFAA Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1 163425482 WSSJYFCPNONLNI-LLVKDONJSA-N 364.858 2.845 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc(-c2ccncc2)n[nH]1 97514326 VTPBMPJXKIWDBW-UHFFFAOYSA-N 350.407 2.749 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NC[C@H](C)c3nc(C)cs3)c2c1 244633091 FWJQTZBLLISINP-LBPRGKRZSA-N 359.451 2.978 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N[C@@H](c1cncc(OC)c1)[C@H]1C[C@@H](O)C1 244884094 YFDKQQJEMFNMFY-FRIZHTMISA-N 372.469 2.672 0 50 FFAA CCc1nc(CCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)no1 243902049 BFLHEDVSAOVXHZ-GOSISDBHSA-N 360.433 2.657 0 50 FFAA CN(C(=O)c1cc(C(=O)O)co1)[C@H]1CCN(c2ccccc2Cl)C1=O 183789638 UQUMCQTXHARKOI-ZDUSSCGKSA-N 362.769 2.509 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@]2(CCCO2)[C@]12CCCO2 257358157 RZAWMJIEWNGUAL-CQSOASKCSA-N 365.429 2.706 0 50 FFAA COc1cccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(OC)c(C(=O)O)c2)c1 299752557 UOQSGCROFATVFO-HOTGVXAUSA-N 355.390 2.822 0 50 FFAA O=C1NC[C@@H](NCc2ccccc2F)n2nc(-c3ccc(F)cc3)cc21 263616781 KMNBBYCZLOFDMU-SFHVURJKSA-N 354.360 2.860 0 50 FFAA CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(NC(=O)Cc3ccc(Cl)cc3)C(=O)[C@H]21 102201949 CXCGQKOAIMBUMY-DTTOXWODSA-N 372.852 2.891 0 50 FFAA Cc1nc(-c2cccc(C(=O)N(CCO)Cc3nccn3C)c2)sc1C 299768362 UHWSEJDTNKTRRZ-UHFFFAOYSA-N 370.478 2.795 0 50 FFAA CC[C@@H](c1nc(CC(N)=O)nn1Cc1cccc(Cl)c1)N1CCCC1 822663379 ZRKGEXUFMUIZHP-HNNXBMFYSA-N 361.877 2.555 0 50 FFAA O[C@@H](c1cc(F)ccc1F)C1CCN(Cc2cnc3ccnn3c2)CC1 839160983 XYVPCFAVFNHZOQ-LJQANCHMSA-N 358.392 2.953 0 50 FFAA Cc1ccccc1[C@H](NC(=O)N1CCC(O)(CO)CC1)c1ccccc1 584893790 AZBHSDKZYKFOPF-LJQANCHMSA-N 354.450 2.613 0 50 FFAA C[C@H]1Cc2cc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)ccc2O1 952977990 AMXJVBQZBZGBOM-AWEZNQCLSA-N 365.433 2.896 0 50 FFAA O=C1O[C@H]2CN(c3ccc4ccccc4n3)C[C@H]2N1CCc1ccccn1 1565509238 BWJPZCXWHXEXTR-MOPGFXCFSA-N 360.417 2.882 0 50 FFAA O[C@H]1CN(c2nc(-c3ccccc3)no2)CC[C@@H]1c1ccc2c(c1)OCO2 1565515921 JYXAEJYAZRUHQC-CVEARBPZSA-N 365.389 2.820 0 50 FFAA CCOC(=O)N1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3cc(CC)n[nH]3)c12 75939211 HOZUDOJTTCSCCA-ABAIWWIYSA-N 366.425 2.706 0 50 FFAA Cc1cccc(Cl)c1OCCNC(=O)Cn1c(=O)oc2ccccc21 952865314 QVIIQHMQKFZZDF-UHFFFAOYSA-N 360.797 2.752 0 50 FFAA Cc1cc(N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)ccn1 302546092 HCCPZFAVUOWLAN-UHFFFAOYSA-N 351.497 2.579 0 50 FFAA COc1ccsc1C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 170602467 QNSBTYZMVCEXET-UHFFFAOYSA-N 373.478 2.673 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)o1 275386276 PDXQBAGTJRNIID-INIZCTEOSA-N 352.394 2.955 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(F)c(C(F)(F)F)c2)cn1 275687248 WUYLOHALDZEGFO-ZBFHGGJFSA-N 370.350 2.688 0 50 FFAA CC1(C)[C@@H](NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)C[C@H]1O 188905849 VIDRZHPIHSDEPA-NWDGAFQWSA-N 350.419 2.549 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)ccc1C 193774983 YRSYPNZJYLNYPR-HNNXBMFYSA-N 357.435 2.897 0 50 FFAA O=C(O)CCNC(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 1506418793 VBBMGNXVXKHXMG-HXUWFJFHSA-N 359.470 2.549 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCC([C@H](O)c2cccs2)CC1 1506400660 OJIOXVRJWIAQDS-SFHVURJKSA-N 368.462 2.915 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3[nH]c(C)c(C(=O)O)c3C)C1)CC2 1704303914 LMLJNAPIFWKVMU-FQEVSTJZSA-N 368.437 2.548 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)[C@@H](C)Oc1ccccc1 5551226 SLJQHNPXBZGGQK-GFCCVEGCSA-N 358.419 2.754 0 50 FFAA Cc1cc(=O)n([C@H](C)C(=O)N2CCCC2)c2c1c(C)nn2-c1ccccc1 12001100 QQPRMDMECJMASV-MRXNPFEDSA-N 364.449 2.987 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3cccnc3SC)CCO2)cc1 12055661 KRUBGZUMKRZDIH-MRXNPFEDSA-N 358.463 2.896 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(F)cc2)CC1 13327120 UUJHPCOMWPDRNH-UHFFFAOYSA-N 356.397 2.555 0 50 FFAA Cn1cccc1C(=O)N[C@@H]1CCCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1 169753585 NWBZNHZNYMCEPQ-MRXNPFEDSA-N 367.428 2.953 0 50 FFAA Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5cccnc5)n4)c3CO2)cc1 169769297 QAGAUQCXTBXYEA-MRXNPFEDSA-N 360.377 2.970 0 50 FFAA COc1cc(C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)ccn1 1857700638 YSQSEVYCHKQNTC-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA Cc1cc(CN2CC3(CCN(C(=O)C4CC4)CC3)OCCC2=O)ccc1F 1857724869 QJJCPIQFYWIOQF-UHFFFAOYSA-N 374.456 2.654 0 50 FFAA O=C(C(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2)c1ccccc1 213201106 GFUVJSZEKGVDEO-UTKZUKDTSA-N 374.484 2.960 0 50 FFAA C[C@@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 131663685 JPMLQWYIXZSRPW-CHWSQXEVSA-N 350.488 2.932 0 50 FFAA Cc1nc(C[C@H]2CCCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)C2)no1 249289058 QILPJVVJPOOFFK-UKRRQHHQSA-N 363.483 2.797 0 50 FFAA Cc1cc(N2CC[C@@H](NC(=O)c3cc4cc(F)ccc4o3)C2)nc(C)n1 1875315226 LVHXGIQDTVJLDC-OAHLLOKOSA-N 354.385 2.987 0 50 FFAA CC[C@@]1(C(=O)N2CC[C@@](C)(NC(=O)c3scnc3C)C2)CC1(F)F 1875406523 GOVVDIMRRIPKOG-CABCVRRESA-N 357.426 2.608 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c2cc(Cl)ccc2n1 1857798243 XHIJSBRUGKRZJP-CQSZACIVSA-N 359.813 2.547 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1-c1cncnc1 2325735837 IGLLYWOUSUPSCE-HXUWFJFHSA-N 372.428 2.675 0 50 FFAA C[C@H](O)c1n[nH]c([C@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)n1 2325803929 KHWWMGFDSQCFHZ-WDSKDSINSA-N 364.274 2.646 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc2ccc(OC)cc2n1C)[C@H]1C[C@H]2CC[C@H]1C2 2325826963 QVHFWBBSILJYMA-DYIBVVGTSA-N 370.449 2.895 0 50 FFAA COC(=O)c1cc(CSc2nc3c(N)ncnc3[nH]2)c(Cl)s1 2325863657 RHSYMDYQJUERCC-UHFFFAOYSA-N 355.832 2.729 0 50 FFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 1199343 CFFIKAQWXQDBDW-GOSISDBHSA-N 367.405 2.970 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1O 2356135599 LSWKFJNZNLWBDI-RXVVDRJESA-N 355.434 2.847 0 50 FFAA CCN(CC)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 2988116 BLHSYASTCPXYPN-UHFFFAOYSA-N 353.271 2.628 0 50 FFAA COc1ccc(S(=O)(=O)N(CC(=O)O)C2CCCCC2)cc1Cl 4408164 XBPNNDJTQMGHSP-UHFFFAOYSA-N 361.847 2.757 0 50 FFAA Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 4696341 WBKKBMKNERXIKH-INIZCTEOSA-N 374.462 2.705 0 50 FFAA COc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC 10360992 OCCGGIJSYNZSBM-UHFFFAOYSA-N 364.423 2.636 0 50 FFAA CCN1CCN(C(=O)c2cccc(NC(=O)C3CCCC3)c2)[C@H](C)C1=O 55309172 JHWSMEDSFVKJSC-CQSZACIVSA-N 357.454 2.508 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)Cc1nc(-c2cccnc2)no1 55255179 UVZBOJVXZYVOHV-QGZVFWFLSA-N 368.393 2.706 0 50 FFAA CS(=O)(=O)N1CCC[C@H]1c1nc(C2CC2)nn1-c1ccc(Cl)cc1 65380363 PSWLIPAFQMDJAK-AWEZNQCLSA-N 366.874 2.895 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1 65397396 RZADJTJNEQLMQA-CQSZACIVSA-N 359.447 2.527 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H]1C=CCN1)CCO2 67833764 GPOBSKVNBPUKHI-SFHVURJKSA-N 350.418 2.617 0 50 FFAA COc1nc(N2CCCCCC2)nc(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 252516265 RCFIMJIDZJOAQQ-RBSFLKMASA-N 361.490 2.510 0 50 FFAA CN1CCN(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1 35330236 VVFGAIPJNPYEAK-UHFFFAOYSA-N 350.871 2.943 0 50 FFAA COc1ccc(CN2CCN(c3ccccc3)C[C@H]2C)cc1OCC(=O)O 215622806 ZUDITFGBKSNXGA-MRXNPFEDSA-N 370.449 2.869 0 50 FFAA Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CCN(C)CC2)cc1 4727427 WRGKXLXVOCLBPJ-UHFFFAOYSA-N 358.507 2.937 0 50 FFAA CN(CCc1noc(-c2ccc(C(=O)O)cc2)n1)C(=O)c1ccc(F)cc1 34927212 RYMRDWRTIULIBA-UHFFFAOYSA-N 369.352 2.889 0 50 FFAA CC(C)Oc1ccc(CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1 77470589 MERQPEJZBUULJR-NRFANRHFSA-N 360.498 2.671 0 50 FFAA O=C(Nc1ccc2[nH]ncc2c1)C(=O)N1CCC(F)(c2ccccc2)CC1 435150230 PGXBWALABGOGKD-UHFFFAOYSA-N 366.396 2.989 0 50 FFAA Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@H]2/C=C/c2cccs2)c1C 364034371 XQFZZHWJXGPEKT-VFNNOXKTSA-N 358.467 2.741 0 50 FFAA CCn1c(N)nc2cc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cnc21 77288138 HVKPOIFDXYSGKF-UHFFFAOYSA-N 360.421 2.713 0 50 FFAA CN(Cc1cccc(Cn2cccn2)c1)Cc1cccc(-c2nn[nH]n2)c1 215410726 PCTDBRBFPLIJCS-UHFFFAOYSA-N 359.437 2.744 0 50 FFAA C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 35338692 YVZCQTKERJQJPX-GUDVDZBRSA-N 361.530 2.796 0 50 FFAA CNC[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2F)C1 237171410 JCYVNWLCXJBHFM-LBPRGKRZSA-N 357.267 2.979 0 50 FFAA CCOc1ccc(CC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 371015954 DEORUXACZMNERL-KRWDZBQOSA-N 354.454 2.511 0 50 FFAA Cc1nc(CN2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)no1 77303890 MWKQRWCCXIDBOO-UHFFFAOYSA-N 362.861 2.699 0 50 FFAA COc1ccc2cc([C@@H]3CN(C(=O)CNC(=O)C(C)C)CCO3)ccc2c1 71721320 YSZUXPPSXUFAKG-IBGZPJMESA-N 370.449 2.521 0 50 FFAA CCOc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82161667 JVWYYRFIYBBFLS-NRFANRHFSA-N 360.498 2.672 0 50 FFAA CC(C)c1ccc([C@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)cc1 160398460 LRPLWHCEMVGZCP-GOSISDBHSA-N 364.511 2.899 0 50 FFAA CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cn1 20615215 FULZOGNEFRFPCF-UHFFFAOYSA-N 355.345 2.893 0 50 FFAA CCCn1cc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c(C)n1 82092302 NPXWDFLUQOPCKJ-OAHLLOKOSA-N 354.454 2.787 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)ccc1O 95513153 PVKGYHOVBDHMCJ-GOSISDBHSA-N 370.497 2.869 0 50 FFAA O=C(O)[C@@H](c1ccc(CCCO)cc1)N1CCN(C2CCCCC2)CC1 95376341 AMJCYSPGYWWXAR-HXUWFJFHSA-N 360.498 2.688 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 97637920 SDWYZBUSIZVQOR-ZDUSSCGKSA-N 354.376 2.706 0 50 FFAA Cc1ccccc1OC1CN(C(=O)CCNC(=O)c2ccccc2F)C1 92065287 LNYVRGANJHQFCL-UHFFFAOYSA-N 356.397 2.544 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(C(=O)c2ccc([C@H]3CCCO3)s2)CC1 91808388 WJSLSRBXIABLKV-CQSZACIVSA-N 359.451 2.526 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 91425673 MWWAWYYONXQWJY-UHFFFAOYSA-N 352.442 2.974 0 50 FFAA COc1ccc(C(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1OC 91943431 QDEGYBDCKAUJJO-INIZCTEOSA-N 355.434 2.901 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1nn(C)c3ccc(C)cc13)C2 91326665 YCUPANFNWRGNJW-OAHLLOKOSA-N 365.433 2.758 0 50 FFAA COc1ccccc1OC1CN(C(=O)c2c(C)nc3ccc(C)cn23)C1 91896597 BRNWZQARUDCHDG-UHFFFAOYSA-N 351.406 2.863 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 244719217 LYURIHUNSUUWJM-CWLKWCNXSA-N 374.868 2.507 0 50 FFAA O=C(CN1CCC(c2nnc3n2CCCCC3)CC1)NCc1cccs1 244873077 WJPWIBVHUVZWSQ-UHFFFAOYSA-N 373.526 2.562 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCO[C@H](CC(=O)O)C3)c(F)c2)cc1 299748008 FUHGGCRCPNVTGR-MRXNPFEDSA-N 373.380 2.817 0 50 FFAA Cc1cnc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1O 253536673 KEBNCHOASNJRPG-UHFFFAOYSA-N 367.493 2.975 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 252510088 ZBDZFHGGYAEHOW-GOSISDBHSA-N 368.481 2.758 0 50 FFAA CNC(=O)CC1CCN(C(=O)NCC2(c3ccccc3OC)CCC2)CC1 185214585 GWOMKCSHJJNYOS-UHFFFAOYSA-N 373.497 2.675 0 50 FFAA Cc1[nH]c2c(C)cccc2c(=O)c1CC[C@@H](C)NCc1nnc(N)s1 534664702 IWBLXXTUGMMGTH-LLVKDONJSA-N 357.483 2.690 0 50 FFAA Cc1cc(C)c(CC(=O)N2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)c(C)c1 1940197281 FJALGFAQIJEWSN-WIYYLYMNSA-N 359.466 2.619 0 50 FFAA O=C(c1ccc(F)cc1Cl)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940197385 MHYKFWWSFHAPIL-RHSMWYFYSA-N 355.793 2.557 0 50 FFAA COC(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1Cc1cccc(F)c1 64015526 YRPSCXBDBRYXOA-ROUUACIJSA-N 362.445 2.638 0 50 FFAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1cc2ccccc2s1 299756124 CHHBWLFALXPLQG-HUUCEWRRSA-N 373.503 2.723 0 50 FFAA C[C@@H](CCc1nc(-c2cccc3c2ccn3C)n[nH]1)N1CCN(C)CC1 823789303 CQBGUDQTVAYYEJ-HNNXBMFYSA-N 352.486 2.532 0 50 FFAA COc1cccc(CNCc2ccc3nsnc3c2)c1O[C@@H](C)C(=O)O 952965333 DTBYFIQXYXVNLK-NSHDSACASA-N 373.434 2.842 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(Cc1ccc(S(C)(=O)=O)cc1)C2 1565506530 XYDQQDDNYHIKJJ-MOPGFXCFSA-N 362.539 2.953 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cc(Cl)cnc3O)C[C@@H]2N(C)C)cc1 1565530063 CGDDPNHIXNRAHK-SJORKVTESA-N 359.857 2.919 0 50 FFAA CN(C)C[C@H]1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C[C@@H]1O 1565529931 NOCYTAHYGBEQRV-QUCCMNQESA-N 356.441 2.877 0 50 FFAA COc1nc(N2CCCCCC2)nc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 170656922 RCFIMJIDZJOAQQ-ZNMIVQPWSA-N 361.490 2.510 0 50 FFAA CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCO1 271646000 HJVMYUBMNIMZGC-FHWLQOOXSA-N 358.482 2.540 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)[C@@H]2C1 277903811 BTECPCSFOMTNTD-PELKAZGASA-N 374.290 2.565 0 50 FFAA Cc1ccccc1Cc1nnn(C[C@@H](O)COCc2ccccc2Cl)n1 193396369 ZNTQUQNZKZLBKL-QGZVFWFLSA-N 372.856 2.803 0 50 FFAA Cc1nn(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1cccc2ncccc12 784858945 OTEIEASXRYNWDV-UHFFFAOYSA-N 372.450 2.613 0 50 FFAA Cc1cc(-c2cc(S(=O)(=O)N3CCO[C@H](C4CC4)C3)c(C)s2)n[nH]1 1506421687 LMWKNWPKQLGQNM-AWEZNQCLSA-N 367.496 2.555 0 50 FFAA Cc1noc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1-c1ccccc1 1529197945 ZNZVFZOVKIJKMF-OAHLLOKOSA-N 356.426 2.982 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN(Cc2ccc(Cl)o2)CC1 1529192566 XVCUEKRSRBQTIQ-UHFFFAOYSA-N 351.834 2.815 0 50 FFAA COc1cccc(CCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)c1 1529180571 KPWQXGYECSATOW-TZIWHRDSSA-N 355.434 2.589 0 50 FFAA O=C(CCC(F)(F)F)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529189335 MKEKJOUOHHAZMW-CJNGLKHVSA-N 352.356 2.939 0 50 FFAA Cc1nc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2nccs2)nc2c1CCCC2 1800414846 WQGGKYNXLUTKET-HOTGVXAUSA-N 369.494 2.500 0 50 FFAA Cc1c(C(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)[nH]c2ccc(F)cc12 1800409474 GRTCUZAYSDUFJA-CQSZACIVSA-N 360.385 2.569 0 50 FFAA CC(C)(C)c1ccc(C(=O)N2CCCN(c3cc(N)ncn3)CC2)cc1 1772806954 MNZIOJQSLFYFKR-UHFFFAOYSA-N 353.470 2.709 0 50 FFAA COc1cc(-c2onc(NCCN(C)C(C)C)c2C(=O)O)ccc1F 1772701884 ATIMYQWSJVUBCG-UHFFFAOYSA-N 351.378 2.940 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NC[C@@H]3CCCCN3C)nc2)n1 11879308 YJGCLYJHKBJWTA-INIZCTEOSA-N 373.526 2.927 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@@H]1CCCN(Cc2ccccc2F)C1 12448126 UZWDFSFXAWVMOG-QGZVFWFLSA-N 366.440 2.956 0 50 FFAA COCCNCC[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F 14991019 UTAHRUNPPVNTQN-CQSZACIVSA-N 360.376 2.702 0 50 FFAA Cc1ccc(-c2ccc(N(C)c3ccccc3)nn2)cc1S(N)(=O)=O 16652102 OJIVLNQEQXKSTA-UHFFFAOYSA-N 354.435 2.867 0 50 FFAA CCN1CCN(CC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)CC1 169681427 SLJOFQBYYJACCT-UHFFFAOYSA-N 357.498 2.861 0 50 FFAA Cc1ccn(CCC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n1 1857668633 IDQCCDBLXUEFEU-ZVDOUQERSA-N 353.466 2.566 0 50 FFAA Cc1nn(C)c(C)c1CN1CCC(C2CCN(c3cnccn3)CC2)CC1 1857713228 MBXJYEZCESFQLA-UHFFFAOYSA-N 368.529 2.956 0 50 FFAA CNC1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 237098768 MSJFOWVMBOYZPX-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CCC[C@@H]([C@H](C)N)C1 237121394 DNTLNZDKASJAHO-GXTWGEPZSA-N 369.303 2.976 0 50 FFAA CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)cn1 151880626 KXAIQKDPVWOWEX-KRWDZBQOSA-N 354.454 2.617 0 50 FFAA Cn1cccc1[C@H]1COCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 164027530 XUZWEUZIMWDOCR-QFBILLFUSA-N 367.449 2.516 0 50 FFAA Cc1cccc([C@H](CO)N2CCN(C(=O)c3ccc(Cl)cc3O)CC2)c1 1875264407 ULVGLXAZPDPLKP-SFHVURJKSA-N 374.868 2.845 0 50 FFAA Cc1nnc([C@@H](C)N2CC[C@](C)(NC(=O)c3nccc4[nH]ccc34)C2)s1 1875332442 RSIUYKHPXLHCIV-ZMZPIMSZSA-N 370.482 2.678 0 50 FFAA COCCn1nc2c(c1C(=O)N(C)Cc1ccoc1C)C[C@H](C)O[C@@H]2C 1875314469 ALYYMGKOISJLLP-GXTWGEPZSA-N 361.442 2.725 0 50 FFAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NC3CCC(=C4CCC4)CC3)C2)c1 1875398536 UXIGWVXHBWDKLE-UPRAQXHNSA-N 359.470 2.734 0 50 FFAA CC(C)c1noc(=O)n1Cc1cc2c(cc1Br)OCCO2 1875318682 LTFWGRDEZBEYNT-UHFFFAOYSA-N 355.188 2.542 0 50 FFAA CCc1cc(N2CCN(c3cccc(O)c3)CC2)nc(N2CCCC2)n1 2100337983 OOMORASMWFELQU-UHFFFAOYSA-N 353.470 2.671 0 50 FFAA Cn1nccc1C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)c2cc(Cl)ccc2O1 2325770099 CGQGWPZVCSDWDP-KSSFIOAISA-N 373.840 2.641 0 50 FFAA C[C@H](CNC(=O)Cc1cccc2cnccc12)CNC(=O)C[C@@H]1C[C@@H]1C 2325868416 YYIHZGHDYSTJIX-VKJFTORMSA-N 353.466 2.692 0 50 FFAA O=C(Nc1ccc2ccn(Cc3ccc(CO)cc3)c2c1)[C@@H](O)C1CC1 871427429 WPQITSZUMFAKDA-FQEVSTJZSA-N 350.418 2.891 0 50 FFAA COc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c(OC)c1 1177657 DNCZHTMAWJKSJP-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 1466641 IYFZMOFDZYOOQC-UHFFFAOYSA-N 358.781 2.973 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc(O)c(Cl)c3)C1)CC2 2356153934 AYEBUZAAUWPFDI-GOSISDBHSA-N 358.829 2.659 0 50 FFAA c1ccc(CCc2nc3n(n2)CCN(Cc2c[nH]c4ncccc24)CC3)cc1 2356168021 MIHNEHRZDYGQPL-UHFFFAOYSA-N 372.476 2.998 0 50 FFAA O=C(c1csc(-c2ccccc2)n1)N1CCc2nc(C3CC3)nn2CC1 2356168529 HLWAKIOREXTLTH-UHFFFAOYSA-N 365.462 2.978 0 50 FFAA CCCNC(=O)c1cc(I)c(OC)c(OCC)c1 2869369 HJOUVOOYQRRLFU-UHFFFAOYSA-N 363.195 2.838 0 50 FFAA Cc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 2980845 FNZIPEGEMMUXBF-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA COc1ccc(CN2CCC(C(=O)NCc3ccco3)CC2)c(OC)c1 4599254 DWCGCUDLTQGOKI-UHFFFAOYSA-N 358.438 2.825 0 50 FFAA CCOC(=O)[C@H]1CCCN(CC(=O)Nc2nc3ccc(C)cc3s2)C1 4992844 QSDSOMBMKSFXJZ-ZDUSSCGKSA-N 361.467 2.818 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 6742285 BBIVYBWGMMORSX-SJORKVTESA-N 364.873 2.875 0 50 FFAA O=c1[nH]c(CN2CCO[C@@H](c3nccs3)C2)nc2ccc(Cl)cc12 225542421 SVFBUOFFVVVNIU-CYBMUJFWSA-N 362.842 2.607 0 50 FFAA O=C(c1cc(CN2CCc3ccccc3C2)on1)N1CCCC[C@H]1CCO 67896406 NTLLLRUXXQRGGJ-SFHVURJKSA-N 369.465 2.610 0 50 FFAA Cc1ccc(NC(=O)C(C)C)c(C(=O)N(C)CCN2CCCCC2=O)c1 65405602 JEECCBSXTCCGAE-UHFFFAOYSA-N 359.470 2.674 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)N1CCC(C(=O)N2CCCC2)CC1 125983946 WPWMKLINZSHMFL-UHFFFAOYSA-N 367.453 2.739 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)CN(C)Cc2ccccn2)CC1 72410744 ZKZDLADGWRKWJD-UHFFFAOYSA-N 365.477 2.663 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)C1 172176559 FLMYTWNSGITHDT-AWEZNQCLSA-N 363.421 2.822 0 50 FFAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2 219929490 XYENJSUDLRFONB-HNNXBMFYSA-N 354.907 2.599 0 50 FFAA O=C1c2ccccc2CN1CCC(=O)N1CCCC[C@@H]1CCn1cccn1 218860268 NUMJMBZGGUNCKY-GOSISDBHSA-N 366.465 2.700 0 50 FFAA C[C@@H](C(=O)N[C@H](CO)CC(C)(C)C)n1c(S)nnc1-c1cccs1 129009345 LZDICDYTXRCLHL-QWRGUYRKSA-N 368.528 2.770 0 50 FFAA CCN1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)CC1=O 71771342 FCRYAICKKUHGLH-UHFFFAOYSA-N 357.454 2.940 0 50 FFAA Cc1cccc(N2C[C@H](NC(=O)c3cccc(-n4cccn4)c3)CC2=O)c1 77378275 YMLDCQUWRBJDSM-QGZVFWFLSA-N 360.417 2.716 0 50 FFAA O=C(c1ccc2nncn2c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 155322152 ZDPRLSILNBFZSY-KRWDZBQOSA-N 354.385 2.690 0 50 FFAA Cc1n[nH]cc1C1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)cc2)CC1 375912667 COGQQBHXAWDSJY-GOSISDBHSA-N 355.438 2.906 0 50 FFAA COc1cc(N[C@@H]2CCCN(C(=O)c3csc(O)n3)C2)cc(OC)c1 366283454 ZWHGFTMKXOXLSR-LLVKDONJSA-N 363.439 2.583 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1n[nH]c2c1CCCCC2 215833376 UCOPQKPEBUWCMQ-INIZCTEOSA-N 370.501 2.692 0 50 FFAA CCCc1nnc(NC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)s1 367094069 WPJCHYSAAAPWAP-ZDUSSCGKSA-N 374.514 3.435 0 50 FFAA C[C@@H](CN(C)c1cc(-c2ccccc2)nc2ccnn12)N1CCOCC1 72170513 MWYHJWLKGNSVCY-INIZCTEOSA-N 351.454 2.553 0 50 FFAA O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccco1 239366933 AGVGQFTXANLEKB-CFVMTHIKSA-N 369.339 2.958 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)c1c(C)c2cccc(C)c2n1C 215908030 HIQAZHMMPZYWOL-UHFFFAOYSA-N 354.454 2.817 0 50 FFAA CCn1cncc1CN1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CCN2CC1 72145474 ZJYFHDZUMLHESB-BHDDXSALSA-N 366.509 2.974 0 50 FFAA CCn1nc(C)c(CCNc2nccc(-c3cc(C(=O)O)ccn3)n2)c1C 77517770 CFXXXKGNURFABM-UHFFFAOYSA-N 366.425 2.725 0 50 FFAA Cn1cncc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72479023 BWBZJBKMEZJQBO-UHFFFAOYSA-N 360.461 2.968 0 50 FFAA O=C(NCc1ccc(OCC2CC2)nc1)c1cc(-c2ccncc2)on1 156294810 MAYPYYYPTQNICU-UHFFFAOYSA-N 350.378 2.850 0 50 FFAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)NCC1(CF)CCOCC1 331630212 SJNJSKOYOSFRFC-JZXOWHBKSA-N 356.482 2.868 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@H](OCc3ccccn3)C2)cc1 215730715 UORIFKLBFQBZRL-SFHVURJKSA-N 360.479 2.666 0 50 FFAA O=C(c1ocnc1C1CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 377827100 SRVTVFLOJLOYMQ-HNNXBMFYSA-N 368.437 2.841 0 50 FFAA CCN1C[C@@]2(CCCN(S(=O)(=O)Cc3cccc(C)c3)C2)CCC1=O 77564966 JOKQKJRGYVABNL-LJQANCHMSA-N 364.511 2.549 0 50 FFAA C[C@H]1CCCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)[C@@H]1CN 237737619 XWDGTODBGPJCOX-SWLSCSKDSA-N 373.478 2.781 0 50 FFAA O=C(CCc1cc(Cl)no1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222703220 DIPADJGNRLBJGB-CVEARBPZSA-N 364.829 2.751 0 50 FFAA CCn1c(O)nc2cc(C(=O)N(C)C3CCC(F)(F)CC3)ccc2c1=O 288106024 HBXOWNMFPUWFMA-UHFFFAOYSA-N 365.380 2.772 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cc1OCCN 426739089 QFPIRLLXOJHECR-UHFFFAOYSA-N 366.421 2.655 0 50 FFAA CCc1nc(CNC(=O)N2CCC(COc3ccc(OC)cc3)CC2)no1 426584550 BCEGZESYNQEAAL-UHFFFAOYSA-N 374.441 2.641 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCCN(C2Cc3ccccc3C2)CC1 82138300 AIKZXMNEJGMNIM-UHFFFAOYSA-N 364.493 2.535 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](CCO)c2ccc(C)cc2)c1 426700060 PCXHAZBZKKIAOO-INIZCTEOSA-N 371.437 2.608 0 50 FFAA O=C(O)c1csc(CCNC(=O)N2CCCC[C@H]2c2cccnc2)n1 426414245 FNVFHYZIDBLVNH-AWEZNQCLSA-N 360.439 2.716 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)CCN1CCOCC1 20536421 IPAVVJTVSXNYGC-UHFFFAOYSA-N 355.438 2.521 0 50 FFAA Cn1ccnc1-c1c(-c2ccccc2)ncn1C1CCN(CC(=O)O)CC1 91829224 FUCILRUBIJSARB-UHFFFAOYSA-N 365.437 2.672 0 50 FFAA Cc1cc(F)cc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 91781309 SVLMFGQLMWAHNK-UHFFFAOYSA-N 361.505 2.900 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccnn1CC1CC1 96180165 TYUPJXWKLDATNE-OAHLLOKOSA-N 353.470 2.861 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91906347 RJNRRGXIPCJHLR-IBGZPJMESA-N 368.477 2.915 0 50 FFAA COC[C@]1(O)CCN(Cc2nn(C)c3cccc(Cl)c23)CC1(C)C 92020906 PPPDBDWXUBKJED-GOSISDBHSA-N 351.878 2.836 0 50 FFAA CN1CCN(CC2CCN(Cc3cc(O)c4cccc(F)c4n3)CC2)CC1 91304097 VZYSJIOWEFPUGA-UHFFFAOYSA-N 372.488 2.539 0 50 FFAA Cc1nc(N(C)C)nc(-c2cccc(C(=O)N3CCC[C@H](N)CC3)c2)c1C 426683755 GVPAWMMAPHIVLN-SFHVURJKSA-N 367.497 2.780 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 238020470 HUGGUINYSXVEFB-ZBFHGGJFSA-N 361.344 2.848 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NC1CCN(Cc2ccco2)CC1)N(C)C 95531395 DUKNBBUBBCBGKF-FQEVSTJZSA-N 355.482 2.972 0 50 FFAA CCc1ncc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)cn1 95373258 GYXXKNRXWRHMHN-JTQLQIEISA-N 355.364 2.629 0 50 FFAA CCc1cc(N2CCC(N(C)C[C@@H]3CCOC3)CC2)nc(N2CCCC2)n1 95500964 BBBGFLWFWRGGHS-KRWDZBQOSA-N 373.545 2.576 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cnn3ccccc23)s1 23399227 CDLJBKPXEHAQMU-AWEZNQCLSA-N 354.435 2.733 0 50 FFAA O=C(CSCC1CC1)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 92080462 NXULZMOLUPXJFI-LJQANCHMSA-N 350.528 2.771 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91894772 ULUOHLWPSDAPOD-UHFFFAOYSA-N 370.453 2.610 0 50 FFAA CC(C)n1cnnc1CN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 244872889 WGHVTBITNZUEFN-IBGZPJMESA-N 357.502 2.582 0 50 FFAA Cc1cccc(N2CCC(NC(=O)C[C@H]3NC(=O)c4ccccc43)CC2)c1 244900209 ZYBXYHLCVMUNQW-HXUWFJFHSA-N 363.461 2.955 0 50 FFAA NC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 250810512 DFZZQOHHWGVUOO-TXFQPVFDSA-N 374.462 2.577 0 50 FFAA Cc1cccn2c(CC(=O)N[C@H](c3cccs3)[C@H]3C[C@@H](O)C3)cnc12 252535660 GNZPQTJZNJMZND-JOQOYGCGSA-N 355.463 2.875 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)NC(=O)N(C)Cc3nnc(C)o3)n2)cc1 534580798 UVCZIBJLQUTISO-LLVKDONJSA-N 356.386 2.639 0 50 FFAA CC(C)c1cc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)ncn1 534644256 RVFGBWXZYSEQEI-UHFFFAOYSA-N 368.481 2.719 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnc(C(F)(F)F)nc3C)[C@H]2C1 299791488 DCWISOMKLIIZRN-OFQRWUPVSA-N 359.392 2.962 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[C@@H](n2cccn2)C1 291343613 WRWMUCMNNVVORG-BXUZGUMPSA-N 369.391 2.836 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2(C)C)c1 824782243 YMESVBSFQMIDBO-UHFFFAOYSA-N 354.454 2.843 0 50 FFAA CSc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565527825 ZNUNUVUECFNHDO-GJZGRUSLSA-N 364.492 2.969 0 50 FFAA O=C(COc1ccc(Br)cc1F)NC1CCC(C(=O)O)CC1 268944013 UQXIUGSNKDDXHV-UHFFFAOYSA-N 374.206 2.727 0 50 FFAA C[C@H](Cc1ccccc1F)NC(=O)Cc1cccc(N2CCOCC2)c1 170607950 QJMZTGIVKSNLLD-MRXNPFEDSA-N 356.441 2.952 0 50 FFAA C[C@@H](CC(=O)O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 274959829 BIDHVIKLOUSANW-VHSXEESVSA-N 365.373 2.615 0 50 FFAA Cn1ccnc1-c1cc(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)on1 277225476 LTPTYKMECXZHLG-DJJJIMSYSA-N 350.378 2.754 0 50 FFAA CN(C(=O)Cn1c(C2CC2)nc2ccccc21)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529126348 DQRKHQWBGAIUKS-WNKDZCFJSA-N 353.466 2.922 0 50 FFAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 1155578 NUWGJRVRNFNVFT-QPJJXVBHSA-N 361.375 2.622 0 50 FFAA COc1ccc(/C=C/CN2CCCN(C(=O)Cc3cccnc3)CC2)cc1 1775979175 GJCLXLISOJQXHJ-ZZXKWVIFSA-N 365.477 2.880 0 50 FFAA O=C(NC1CCCCC1)N1CCCN(C(=O)c2ccc(Cl)cn2)CC1 1775977439 GSZMHHJTDNANFV-UHFFFAOYSA-N 364.877 2.925 0 50 FFAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3OC)n2)c1 5400063 ZMDFGNVBOIOHID-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA O=S(=O)(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)c1cccnc1 12318152 BPXPTDWBEFRJPE-GOSISDBHSA-N 366.446 2.895 0 50 FFAA O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccccn2)CC1 13744858 WIRFYILDLCAMLX-UHFFFAOYSA-N 357.282 2.740 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCC(=O)N(C2CCCCCC2)C1 14963262 SJPCGAVHBOXYEW-INIZCTEOSA-N 372.465 2.993 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc2c1NCCC2 218812328 DXZBGUSRRXQVTK-SZVBFZGTSA-N 351.450 2.552 0 50 FFAA COc1ccc2c(c1)[C@@H](NC(=O)c1nc(Cl)n(C)n1)CC(C)(C)O2 1857687545 YEYQPRAVFUMTST-NSHDSACASA-N 350.806 2.509 0 50 FFAA Cc1ncccc1Oc1ncnc(N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)c1C 1857712885 VVHVCWIJWZOKPA-MAZHCROVSA-N 355.442 2.554 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCc3c[nH]c4ccccc34)C[C@]23CC[C@H]1O3 1857734594 WEAFECKOWWGOPD-XHYAQGIWSA-N 367.493 2.668 0 50 FFAA COc1ccc(CCN2C(=O)O[C@H]3CN(C(=O)c4ccccc4)C[C@H]32)cc1 213029429 VIJHAILWFXBBBU-MOPGFXCFSA-N 366.417 2.583 0 50 FFAA CN(Cc1cnc2ccccn12)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328648778 USMDISLJGZZNKO-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 238082343 GBCVPWHARVOQKA-NSHDSACASA-N 352.228 2.804 0 50 FFAA O=S(=O)(Nc1cnc2c(c1)COCC2)c1cccc(OC(F)(F)F)c1 361973700 GRRCCAHRTPINMB-UHFFFAOYSA-N 374.340 2.854 0 50 FFAA Cn1cc([C@@H]2CSCCN2C(=O)NC[C@H]2CC(C)(C)OC2(C)C)cn1 927625736 DLSDGJOWCLNZEJ-CABCVRRESA-N 366.531 2.813 0 50 FFAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2cc(C(C)C)n(-c4ccncc4)n2)[C@H]31 1875256633 LOLTWIFAAXHVKF-AYDVLDGXSA-N 366.465 2.886 0 50 FFAA O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CC[C@@H]2NCC[C@@H]2C1 1875292852 VBTQIXIEBHYBCO-XLIONFOSSA-N 373.460 2.758 0 50 FFAA CCO[C@@H]1COCC[C@H]1Cc1nc(-c2ccn(C)n2)nn1CC(C)(C)C 1875349109 MWIGABTUVLXJNI-GOEBONIOSA-N 361.490 2.709 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc3ccccc3c1O)C2 1073330547 UHFFALYLFQZMFU-ZBFHGGJFSA-N 367.449 2.763 0 50 FFAA Cn1cc(C2CCN(C(=O)[C@H]3CCCN3C(=O)C3CCCCC3)CC2)cn1 2325734714 ZFQCSUMAFWFMHN-LJQANCHMSA-N 372.513 2.697 0 50 FFAA CN(C(=O)c1cn2c(n1)CC[C@@H](N)C2)c1ccc(Oc2ccccn2)cc1 2325787813 YKFGQFUXBGIZOI-CQSZACIVSA-N 363.421 2.621 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)c3cn4cccc(F)c4n3)cn2)CC1 2325790107 NJZNUTGZTXFLPD-UHFFFAOYSA-N 369.400 2.594 0 50 FFAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1 662149 URAXJQATBWAQKC-CQSZACIVSA-N 362.451 2.797 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccnc1 807883 FYHUDDAZYWCUFN-QGZVFWFLSA-N 362.393 2.609 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1F 824509 XIKYBQLOUCPCBL-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 1214312 AFNFSTJCGKLWEL-IBGZPJMESA-N 372.808 2.869 0 50 FFAA Cc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1C 2085337 PEQLOKHEIOHJED-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA Cc1ccc(N2C(=O)N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1C 2863485 OBBKLZYJMJTLMH-MRXNPFEDSA-N 371.359 2.781 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 2979742 PWOSAJOFLOMBGS-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA COC(=O)c1cccc([C@H]2CCCN(c3ncc4c(ncn4C)n3)C2)c1 2356166347 ULUOQDPHTGOYNI-HNNXBMFYSA-N 351.410 2.534 0 50 FFAA CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCSC 4113621 DYHICWTYHBDNGX-OAHLLOKOSA-N 350.440 2.619 0 50 FFAA CCOC(=O)c1cnc(S[C@H](CC)C(=O)Nc2ccccc2)nc1N 4749145 GJICDBUHUDLGSO-CYBMUJFWSA-N 360.439 2.745 0 50 FFAA COc1ccc(OCCNC(=O)N2CCN(c3ccccc3)CC2)cc1 6701552 PYYZKWLTXOEPKU-UHFFFAOYSA-N 355.438 2.606 0 50 FFAA O=S(=O)(c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1S(=O)(=O)c1ccccc1 104298113 PHBRBNNWUXHHBA-STEAMIEHSA-N 374.483 2.877 0 50 FFAA C[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)[C@@H]1OCCc2sccc21 421572564 DLXBQBMLXKNNTO-XPTSAGLGSA-N 371.505 2.645 0 50 FFAA Cc1ccc(Cl)c(CN2CCC(Cc3nnc(CO)n3C)CC2)c1F 55211239 XTGPEBPOJMBRCE-UHFFFAOYSA-N 366.868 2.863 0 50 FFAA CCc1c(C)nn(CCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)c1C 55108725 VKVNVTTXPKUXBM-KRWDZBQOSA-N 358.486 2.684 0 50 FFAA Cc1ncc(C(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)c(C)n1 65372822 UKQNTEBSHMLXFV-UHFFFAOYSA-N 363.343 2.929 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 101278348 VLRDYICIAKSQTB-CLROSIBMSA-N 362.857 2.736 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)C[C@H]1NC(=O)c2ccccc21 67755403 KCJDFXZOXPBFLW-QGZVFWFLSA-N 352.438 2.512 0 50 FFAA COc1cc(-c2c[nH]c([C@H]3CC(=O)N(C(C)C)C3)n2)cc(OC)c1OC 23129190 XRHRRBQTGQLLPO-ZDUSSCGKSA-N 359.426 2.827 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1 248231836 ASFSRLMXUXZSRA-APHBMKBZSA-N 352.862 2.780 0 50 FFAA O=C(O)c1cccnc1CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 65408462 UDXOEKQGFBZIJO-OAHLLOKOSA-N 351.366 2.562 0 50 FFAA COc1cccc(-c2cccc(N3CCC(NCCC(N)=O)CC3)c2)c1 20868740 XTHHKQQTFOAONG-UHFFFAOYSA-N 353.466 2.796 0 50 FFAA O=C(CN1CCC[C@H]1Cn1cc(C2CC2)nn1)N1CCC[C@H]2CCCC[C@H]21 328927525 FXMHGOQCLXXPQN-WSTZPKSXSA-N 371.529 2.801 0 50 FFAA C[C@@H](Cc1ccccn1)NC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 12449361 DLWGZEZCEDYOBM-LBPRGKRZSA-N 373.819 2.875 0 50 FFAA Cc1ccc(CN2CCN(Cc3cnc(N4CCCC4)s3)CC2=O)cc1 72121582 NNCCQSNCCHHBLG-UHFFFAOYSA-N 370.522 2.896 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2CCCOc2ccc(C(N)=O)cc2)n1 77420414 KVAACFQNYHHZNZ-INIZCTEOSA-N 358.442 2.898 0 50 FFAA O=c1cc(CNc2ccccc2N2CCC(CO)CC2)nc2ccccn12 124094566 HCQKOUIYSYGECE-UHFFFAOYSA-N 364.449 2.515 0 50 FFAA CN(CCCn1ccnc1)C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 426242436 XNFMIFDQOYKYET-QGZVFWFLSA-N 370.432 2.577 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCN(c2ncnc3ccccc23)CC1 72430655 NIUBWSJLMVSGGK-HXUWFJFHSA-N 374.444 2.672 0 50 FFAA CCCc1cc(NC[C@@H](c2cccnc2)N2CCOCC2)n2nccc2n1 72408253 YIHZTGSLDMHRBC-SFHVURJKSA-N 366.469 2.562 0 50 FFAA Cc1ccccc1Cn1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)nn1 72146331 AWHDWEVGGHQKNZ-HXUWFJFHSA-N 364.449 2.831 0 50 FFAA Cc1cnc(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1 11709992 CVYQRTSGFRMQMY-NRFANRHFSA-N 370.497 2.820 0 50 FFAA Cc1cc(C)cc(CN2CCN(Cc3cnn(C)c3C3CC3)CC2=O)c1 72158052 VOAKAHYACNHJQQ-UHFFFAOYSA-N 352.482 2.759 0 50 FFAA Cc1nc(C)n(C2CN(C(=O)Cc3nc(-c4ccsc4)oc3C)C2)n1 328798096 WIMDZUXKKDQHKI-UHFFFAOYSA-N 357.439 2.546 0 50 FFAA COc1ccc(Nc2nc(C(=O)NCc3nncn3C3CC3)cs2)cc1 173158350 VSFRQBZCKFXFJH-UHFFFAOYSA-N 370.438 2.752 0 50 FFAA CC(C)N(C)c1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)cn1 239722582 CDOGEIXODGPXCE-IBGZPJMESA-N 352.482 2.989 0 50 FFAA Cc1ccccc1CCC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 72157966 JIHMQBGPTIGXON-HXUWFJFHSA-N 350.462 2.887 0 50 FFAA CC(C)c1nc(NC2(CN3CCOCC3)CCCC2)c2cnn(C)c2n1 72120947 PPKNRDDMLBYZSN-UHFFFAOYSA-N 358.490 2.544 0 50 FFAA Cc1cc(C(=O)NCCS(=O)(=O)CC(C)C)c2cccc(Cl)c2n1 215123048 SRZRSSCAACXPLI-UHFFFAOYSA-N 368.886 2.997 0 50 FFAA Cc1ccncc1CCCN1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 377704180 VZQHAIGYTINLSJ-OALUTQOASA-N 361.486 2.692 0 50 FFAA Cc1c(C(=O)N2CC[C@H](O)c3ccccc3C2)cnn1C1CCOCC1 378632169 JKJOWIGDZMYEQH-IBGZPJMESA-N 355.438 2.623 0 50 FFAA CCCN1CCC(CC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)CC1 82120207 WMNVVXFROUGBMT-UHFFFAOYSA-N 357.498 2.682 0 50 FFAA O=C(CCSCc1ccccc1)N[C@@H]1CCCN(c2cnccn2)C1 220234870 BXBDAGLEVIZXDN-QGZVFWFLSA-N 356.495 2.885 0 50 FFAA CCn1cc(NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)cn1 20608250 GJGPHPISBGZIBF-UHFFFAOYSA-N 366.347 2.922 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CCN1CCOCC1 82155736 BNPWGGLJGMOVOQ-LJQANCHMSA-N 368.481 2.589 0 50 FFAA O=C(c1cccc(O)n1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426489637 LLGVWIVHDNGLNX-QYWGDWMGSA-N 366.417 2.898 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)NCC2CCOCC2)CC1 426544603 AMVWLLQPCCEXKS-UHFFFAOYSA-N 359.514 2.762 0 50 FFAA CN(C)CCCN1CCN(C(=O)c2ccc(-c3ccc(F)cn3)cc2)CC1 426503546 QPSXWAUMPUPYHD-UHFFFAOYSA-N 370.472 2.597 0 50 FFAA C[C@@H](Nc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1)C1CCCC1 96149723 XQOHAKYSIUJRJQ-CYBMUJFWSA-N 362.474 2.666 0 50 FFAA COCCN1CCC[C@]2(CCN(C/C=C/c3ccccc3OC)C2)C1=O 91473908 JOXYYHZBJRLNPC-WKOQKXSESA-N 358.482 2.669 0 50 FFAA Cc1ncsc1CCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 426594761 BGRZXTSGOPFGRZ-UHFFFAOYSA-N 362.474 2.661 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)Nc1ccnn1CC1CC1)c1ccccc1 96150313 CMGXXPCGULHUMW-KRWDZBQOSA-N 350.426 2.938 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)o1 426419659 BPUJYGQTNWTSBR-CYBMUJFWSA-N 371.466 2.763 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)N2CCCC[C@H]2CO)s1 426691177 LGSCVBLNLWJBQZ-ZDUSSCGKSA-N 361.467 2.875 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCSc2ccccc21 294276497 SQTHSLBUFZWVEO-DZKIICNBSA-N 360.479 2.843 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)nc1 96162192 ORVMFQFMLPEYMQ-SFHVURJKSA-N 366.461 2.841 0 50 FFAA O=C1NCCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]1Cc1ccccc1 92081043 RGQRDQYAVHPYDT-SFHVURJKSA-N 363.392 2.557 0 50 FFAA CN1CC[C@]2(CCC1=O)CN(C(=O)Nc1ccccc1Cl)CCN2C 91595683 NJLCNZMGQUZESP-GOSISDBHSA-N 364.877 2.500 0 50 FFAA CCc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(C)=O)cc1 239309766 HVLUCVHXAILUOJ-RPZLJYRGSA-N 364.445 2.613 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1oc(C)nc1C)CC2 91563469 DBCHTKUYUTYEPC-UHFFFAOYSA-N 371.485 2.804 0 50 FFAA CSCc1nc(CNC(=O)c2cnc(-c3cccnc3)nc2)cs1 97711613 AORCYZNVRGUPBU-UHFFFAOYSA-N 357.464 2.788 0 50 FFAA Cc1nc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc1-c1ccccc1 239038860 FBXYUMIGGZBMFX-YIYPIFLZSA-N 358.419 2.935 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 95520158 INRXWRRGLJBACD-ZDUSSCGKSA-N 366.849 2.510 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)cnn1C 91460647 PVJBRINLQBCXAP-FQEVSTJZSA-N 366.509 2.957 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 95379625 VKGYDMCEIWBCRD-LJQANCHMSA-N 366.440 2.808 0 50 FFAA Cc1nc(-c2cccc(NC(=O)NCCCc3c(C)n[nH]c3C)c2)n[nH]1 96180510 JEFXKUOIBXKTLC-UHFFFAOYSA-N 353.430 2.874 0 50 FFAA COc1nc(C)c(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 244874581 XDPOXZKWFBFKCV-LZWOXQAQSA-N 374.462 2.637 0 50 FFAA COCc1ccc(C(=O)N[C@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)o1 253378435 FFPYLBFNNJEVBN-ZMNCSTGQSA-N 351.349 2.946 0 50 FFAA CNC[C@H]1CCN(C(=O)[C@H](Oc2ccccc2Br)C(C)C)C1 299738460 BAJXCKZDQACSBF-CZUORRHYSA-N 369.303 2.920 0 50 FFAA Cc1oc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)cc1C(=O)O 299753331 XVKWCFRUBCMWBL-UHFFFAOYSA-N 361.369 2.790 0 50 FFAA O=C(O)COc1cccc(CNC(=O)C[C@H]2CCOc3ccccc32)c1 299753104 WVRVZWBGBZCKHE-OAHLLOKOSA-N 355.390 2.723 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 299747614 DKFLKNCHKFSRKF-IAGOWNOFSA-N 367.401 2.918 0 50 FFAA CSCC[C@@H](NC(=O)N(C)Cc1nnc(C)o1)c1nc2ccccc2[nH]1 534642995 MTVFEHRLEYPDHS-CQSZACIVSA-N 374.470 2.890 0 50 FFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1ccncc1F 1940193539 PSWUEPCGJWTCAI-KUHUBIRLSA-N 351.381 2.756 0 50 FFAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1COC1 1772716925 HKJHBUVYYUNRMA-IBGZPJMESA-N 367.401 2.967 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCC(c3nc4ccccc4n3C)CC2)o1 299785582 KQYMCRZXAGGIKN-UHFFFAOYSA-N 351.406 2.855 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CC[C@H](O)[C@@H](O)C1 299765912 ZKTHXUFKGRUGCT-PMACEKPBSA-N 370.449 2.658 0 50 FFAA COc1ccccc1Cc1nc(-c2cccc(OC)c2F)n(CCO)n1 828778424 NYEWATHKGAQEGM-UHFFFAOYSA-N 357.385 2.685 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c1 824313331 JXHGEKYWLCYAJS-HNNXBMFYSA-N 374.437 2.784 0 50 FFAA Cc1ccc(NCCCNS(=O)(=O)Cc2ccc(F)cc2F)nc1 825195275 ILIDCXXJBXXSJG-UHFFFAOYSA-N 355.410 2.590 0 50 FFAA O=C(N[C@@H]1CCCN(C2CCCC2)C1)N1CCN(c2ccccc2O)CC1 584890505 UAKREXDNYGXYSM-QGZVFWFLSA-N 372.513 2.631 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)c1)[C@H](Cc1cnc[nH]1)n1cccc1 670440800 WXNKTWODVFKSKG-FQEVSTJZSA-N 374.448 2.540 0 50 FFAA COc1ccc([C@H]2CN(C(=O)CN(C)c3ccccc3)C[C@@H]2N(C)C)cc1 1565512396 HLWJKNWDWPCCFN-RTWAWAEBSA-N 367.493 2.688 0 50 FFAA CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(Br)o2)CC1 408215241 OCWXPOZDWIARKH-UHFFFAOYSA-N 365.293 2.535 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@H]3COc4ccccc43)CC2)cs1 109264263 MXCHEAMCTBIDKW-KRWDZBQOSA-N 357.479 2.913 0 50 FFAA Cc1oc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1C(=O)O 268942335 UDMVYEGWMYEUSK-UHFFFAOYSA-N 356.378 2.685 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccncc1F)CC2 275780288 SVNZUGAPYJAGLQ-HNNXBMFYSA-N 360.458 2.804 0 50 FFAA CCCc1ccc(S(=O)(=O)N2CCO[C@H](c3cnn(CC)c3)C2)cc1 189224987 MVMAOTXUYUQJRY-SFHVURJKSA-N 363.483 2.618 0 50 FFAA Cc1ccc(Cl)cc1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 189705452 CRLGMCHNQAVHHP-UHFFFAOYSA-N 363.845 2.519 0 50 FFAA C[C@H](CNC(=O)Cc1ccc2c(c1)OCO2)N1CCc2sccc2C1 194423159 ZYGJRNXPZNSEHF-CYBMUJFWSA-N 358.463 2.582 0 50 FFAA COc1cccc(S(=O)(=O)NC(=O)c2ccc(F)c(CSC)c2)c1 747111213 WSRHUPLXJCOOTD-UHFFFAOYSA-N 369.439 2.816 0 50 FFAA O=C(O)[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)CC12CCOCC2 1775984135 ICASIJKKIYFVDP-FQEVSTJZSA-N 372.509 2.507 0 50 FFAA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)C=CC2=O)c1 5945904 ODNLEFGIYPHVFG-UHFFFAOYSA-N 355.733 2.699 0 50 FFAA CN(CCCN1CCOCC1)Cc1nc(-c2ccc(Cl)cc2)no1 11879450 KTDOPPYUEYSWQF-UHFFFAOYSA-N 350.850 2.544 0 50 FFAA Cn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1 12575591 XQWAOWGILRKCCX-UHFFFAOYSA-N 368.481 2.700 0 50 FFAA O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(-c2cccs2)on1 15859716 JNTHBTWXSYTYNK-AWEZNQCLSA-N 373.434 2.799 0 50 FFAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCC2(CCc3ccccc32)CC1 1857709945 ZOZHCMSWQZWFGT-DFQSSKMNSA-N 354.494 2.650 0 50 FFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)CC2CCCC2)cn1 1857732307 LBGQQOYCCQCZGC-FPOVZHCZSA-N 374.529 2.755 0 50 FFAA COc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 220211710 RSOGSBVTSHFQDN-AEFFLSMTSA-N 369.440 2.966 0 50 FFAA C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@]2(CCOC2)O1 225441854 XNQOHPHQHQFWKZ-MEDUHNTESA-N 372.234 2.537 0 50 FFAA CCc1cnccc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328633341 SNARQESORBKGHX-NSHDSACASA-N 352.360 2.852 0 50 FFAA COc1cccc([C@H]2CN(S(=O)(=O)c3cc(F)ccc3C)CCO2)c1 123591739 WXTMLYXAFHLFLS-QGZVFWFLSA-N 365.426 2.905 0 50 FFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnc(N(C)C)cn2)CC1 332132704 OWELFXCJHSRCNG-CQSZACIVSA-N 373.888 2.715 0 50 FFAA O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN[C@H](c2cccc(Cl)c2)C1 366913109 RDWLXLYHYGKPPS-KRWDZBQOSA-N 367.840 2.912 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(Cl)cn3)C1)CC2 1704298317 GQMUTCAAPPOIOZ-IBGZPJMESA-N 371.872 2.711 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(OC(F)F)cc3)C1)CC2 1704336211 HAQDTTHAYNJDFG-IBGZPJMESA-N 374.391 2.780 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)CCN2)cc1 870137610 YJSAATVYZURBNA-OAHLLOKOSA-N 365.355 2.896 0 50 FFAA C=CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 1875267065 DOBBZFZZSBWRCH-UHFFFAOYSA-N 352.456 2.773 0 50 FFAA O=C(NCCc1cc(O)cc(F)c1)Nc1ccc(CN2CCOC2=O)cc1 1875271365 XQPZKRPAKIVZOY-UHFFFAOYSA-N 373.384 2.848 0 50 FFAA COC[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc2ccoc2c1 1875344247 IABFJUSMELBSFX-WMLDXEAASA-N 360.454 2.976 0 50 FFAA COC(=O)c1cc(F)ccc1Cn1c(Cc2ccc(F)cc2)noc1=O 1875327981 SKEKVUZVVONQIZ-UHFFFAOYSA-N 360.316 2.540 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)n[nH]c21 1875393730 MPPHCHAYVSOONW-MNOVXSKESA-N 371.441 2.712 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc3sc(C)nc3cc2OC)C1 1875371043 MUFZSKDJXPTIMA-GFCCVEGCSA-N 359.451 2.976 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1061413 ZJTHQHZLDUNQPY-CQSZACIVSA-N 352.390 2.855 0 50 FFAA NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1198268 ZJERUNPVLFPHAX-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA COc1cc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1608022 IZBPVUYUOQFKQB-BUXKBTBVSA-N 360.362 2.761 0 50 FFAA COC(=O)c1sc2ncn(CCOc3ccc(C)cc3)c(=O)c2c1C 1980725 AFTFFOUQYAVUKN-UHFFFAOYSA-N 358.419 2.940 0 50 FFAA COc1ccc([C@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1 2108819 KXRRKYGMAAQGAG-ZBFHGGJFSA-N 353.422 2.989 0 50 FFAA biogenic O=C(O)[C@@]1(Cc2ccccc2)CCN(c2cnc3ccccc3n2)C[C@H]1O 2356151755 XSYBYJUSWWBCEA-WIYYLYMNSA-N 363.417 2.515 0 50 FFAA Cc1ccc(C)c(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 2989916 GAZWHYCRVNYMRM-UHFFFAOYSA-N 372.556 2.717 0 50 FFAA COc1cc(OC)cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 3002747 TUTHBEMXLNMINO-UHFFFAOYSA-N 361.394 2.660 0 50 FFAA biogenic CCc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1 3665137 REDMGIWLTKCNPB-UHFFFAOYSA-N 359.407 2.588 0 50 FFAA CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 4867112 JBZGYIFAHVRTOI-UHFFFAOYSA-N 360.222 2.829 0 50 FFAA COc1cc(NC(=O)CSc2nnc(C)n2C)c(OC)cc1Cl 6725798 IMNQGXFZWXJGJX-UHFFFAOYSA-N 356.835 2.525 0 50 FFAA Cc1cccc(CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C(C)C)c1 55061162 OJYOJVVABNCHEB-UHFFFAOYSA-N 364.442 2.832 0 50 FFAA Cc1ccc2c(c1)[C@H](CC(=O)NCc1cc(-c3ccco3)on1)C(=O)N2 101847105 RXOXJENVDSIUFT-AWEZNQCLSA-N 351.362 2.985 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC(Oc2ccc(F)cc2F)CC1 247378398 HYGBKTKVGQVLIK-FRFSOERESA-N 352.381 2.838 0 50 FFAA CCN(CC)[C@H]1CCN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65397344 IWFWLMOWESDKGA-IBGZPJMESA-N 355.486 2.589 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCCN(c2ccccn2)C1 66051025 CSKRMHFDFCNYFP-GOSISDBHSA-N 361.449 2.800 0 50 FFAA CC(C)N(CCC(N)=O)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 67852197 DRKGLXWPHCIFBW-UHFFFAOYSA-N 374.441 2.928 0 50 FFAA CCOC(=O)C1CCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 22147317 GNJHCGISEPVPAF-UHFFFAOYSA-N 367.445 2.724 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2C)C(C)C)CC1 65363233 LAEKNQURMKYQGE-SFHVURJKSA-N 366.527 2.870 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1ccc(Cl)cc1-n1cccn1 252498441 RCFATUHUHPGZTJ-GFCCVEGCSA-N 373.844 2.658 0 50 FFAA CCc1nc2cc(NC(=O)C(=O)N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)ccc2o1 252514927 FFSPMGZCRPJKBH-CSMYWGQOSA-N 371.437 2.601 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1F 65457640 OADDNLGNWXTVBR-HXUWFJFHSA-N 369.440 2.872 0 50 FFAA Cc1nc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cn2n1 281128709 IXCLAYUGSKOYTQ-UHFFFAOYSA-N 354.385 2.864 0 50 FFAA C[C@H](C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1)c1cccs1 328641840 YCEOIOZLYULZLZ-GOEBONIOSA-N 372.494 2.842 0 50 FFAA Cc1cc(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)ccn1 72408950 HQMOSDCZHRGBGF-KRWDZBQOSA-N 354.502 2.888 0 50 FFAA Cc1ccc(C2=NO[C@@H](CNc3ncnc4c3CN(C)CC4)C2)cc1C 282211737 JGSOOLGSHRFFRJ-MRXNPFEDSA-N 351.454 2.686 0 50 FFAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)NCC1(OC)CCOCC1 126479758 ARJIUFMFRHJWLM-QGZVFWFLSA-N 361.486 2.622 0 50 FFAA O=c1cc(CSc2ncnc3c2cnn3Cc2ccccc2)occ1O 126526284 GXZBBMLOEFEKFF-UHFFFAOYSA-N 366.402 2.826 0 50 FFAA O=C(C1CCCCC1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38530637 MZBIBIKINXOGRR-UHFFFAOYSA-N 357.502 2.696 0 50 FFAA CCc1ccc(C(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)cc1 72441303 SDNPQDZKOFJZLR-UHFFFAOYSA-N 364.453 2.683 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1 363201894 JNVCEQXJIXSJLO-INIZCTEOSA-N 368.485 2.559 0 50 FFAA O=C1CCCCN1CC(=O)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 215261103 MNBNPGPOPBWGFW-ZAOIQFLMSA-N 356.466 2.720 0 50 FFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1 237542568 ULZMIHVMFPFTQD-GBESFXJTSA-N 351.402 2.837 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)NCCc1noc([C@@H]2CCCO2)n1 215851253 SJAVFZVDBCCKPE-ZDUSSCGKSA-N 369.343 2.841 0 50 FFAA CC(C)c1nncn1CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 175037526 KTWLXLSTYJBTBI-SFHVURJKSA-N 355.486 2.572 0 50 FFAA CCc1nccn1CCC(=O)N1CCC(Oc2ccccc2OC)CC1 77469814 AZPCRXWHGAFXJL-UHFFFAOYSA-N 357.454 2.914 0 50 FFAA O=C(NC[C@@H]1CCCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1 130147998 UFFVPTOVWYYYAZ-CQSZACIVSA-N 367.478 2.725 0 50 FFAA C[C@@H](c1ccccn1)N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 157679360 GGNKFDFJWZKVTA-AWEZNQCLSA-N 354.410 2.721 0 50 FFAA O=C1OC2(CCN(CC[C@H]3CCOC3)CC2)CN1CCc1ccccc1 77438418 PNJZZLREHBAUSB-IBGZPJMESA-N 358.482 2.943 0 50 FFAA CCSCCNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 72132056 HZFGHUNKTGVJDY-UHFFFAOYSA-N 357.483 2.608 0 50 FFAA O=C(NCC[C@@H]1CCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 262580807 ONPHOVZQPFTKDQ-ZDUSSCGKSA-N 358.463 2.916 0 50 FFAA CCn1c(O)nnc1C1CCN(C(=O)c2ccc3ccccc3n2)CC1 378151824 RRMMCLTYWHVPIY-UHFFFAOYSA-N 351.410 2.572 0 50 FFAA C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nc2cccnc2s1 241301034 LPVXNGSRVOTRSF-GHMZBOCLSA-N 362.455 2.819 0 50 FFAA CC(C)CN1CCC(NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)CC1 175691467 BJYDJJINQAJJDQ-VWLOTQADSA-N 365.543 2.686 0 50 FFAA Cc1cccc([C@@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)C(=O)O)c1 220735382 IILDEFXQODNYIC-LJQANCHMSA-N 366.461 2.901 0 50 FFAA CC[C@]1(c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)cc2)CCC(=O)N=C1O 227300303 WVPFXTRAQOLAMI-AUSJPIAWSA-N 372.421 2.907 0 50 FFAA CCCN(Cc1ccccc1F)C(=O)Cn1nccc1[C@H]1CCCNC1 426473605 MWSXFCMEMRVRGH-INIZCTEOSA-N 358.461 2.928 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)N(C)CCN3CCCCCC3)cc2N(C)C1=O 426395906 FIECXAZWHVRURK-HNNXBMFYSA-N 374.485 2.770 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@@H](Cn2ccnc2)C1 222921797 GEBXFVZUTGTZNS-AWEZNQCLSA-N 355.467 2.898 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)NCCc2nnc3n2CCC3)CC1 499314884 JVKDGGZKCHCOAS-NRFANRHFSA-N 367.497 2.920 0 50 FFAA CCc1ccccc1C(=O)N1CCC[C@@H](Cn2cc(C(C)(C)N)nn2)C1 48436021 LYXZHSIGQAEVNO-OAHLLOKOSA-N 355.486 2.587 0 50 FFAA CCn1ccnc1CN(C)C(=O)c1ccc(-c2nccnc2OC)cc1 426555799 CTYYWCPVKFHARS-UHFFFAOYSA-N 351.410 2.641 0 50 FFAA CC(C)N1C[C@@H](NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1=O 426720020 SYBGKLXQSTVBBN-ZDUSSCGKSA-N 357.376 2.856 0 50 FFAA CC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2)N1CCOCC1 95353714 AMXIFSHVLDKSHW-LEWJYISDSA-N 357.542 2.694 0 50 FFAA COCc1cccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1 97743225 GEVRWCJTSAANEM-UHFFFAOYSA-N 362.433 2.671 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 95374444 SDKLHFWBADHHGL-FQEVSTJZSA-N 366.461 2.855 0 50 FFAA COc1cc(NC(=O)N2CCC(N3CCOC3=O)CC2)c2ncccc2c1 96135983 LGGZETCHWYHAHW-UHFFFAOYSA-N 370.409 2.692 0 50 FFAA Cc1cccn2c(CC(=O)NC3CCN(C4CCSCC4)CC3)cnc12 97610148 KSFJYGDGTWVWSV-UHFFFAOYSA-N 372.538 2.661 0 50 FFAA OC[C@@H]1CN(CCc2ccccc2)CCC12CCN(Cc1ncc[nH]1)CC2 97797606 VCSCPCTWFYPFSI-FQEVSTJZSA-N 368.525 2.549 0 50 FFAA Cc1nnc(CN2CCC(C(=O)Nc3cccc(-c4ccn[nH]4)c3)CC2)o1 95529836 YIPQXFYHUIWVLT-UHFFFAOYSA-N 366.425 2.619 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)no1 95508413 IRWUCUMZPPAUPN-LJQANCHMSA-N 356.470 2.770 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@@H](CO)c3ccccc3)n[nH]2)c(OC)c1 252499313 RYPXEIGWBIGHSU-SFHVURJKSA-N 367.405 2.557 0 50 FFAA CCOc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)CO2 299748645 HTYBIMSPDCMSCK-AWEZNQCLSA-N 373.405 2.895 0 50 FFAA O=C(NCCc1cccs1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615079 ALOOQCOJYANRCJ-MRXNPFEDSA-N 354.435 2.584 0 50 FFAA COC(=O)c1cn([C@H](c2ccc(OC)cc2)C(C)C)cc2c(=O)[nH]nc1-2 263587336 FUILVFXMTGZYFV-KRWDZBQOSA-N 355.394 2.717 0 50 FFAA C[C@@H](C(=O)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1)c1ccccc1 263615127 ARJJZRAGWTYLLH-QGZVFWFLSA-N 373.456 2.980 0 50 FFAA O=C(O)c1[nH]ncc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67739786 IEJRSSUTZQNMRL-ZWKOTPCHSA-N 351.406 2.612 0 50 FFAA O=C(c1scc2c1CCCC2)N1CCN(c2ccc3nccn3n2)CC1 299779386 RDNWTZGMDLTZRX-UHFFFAOYSA-N 367.478 2.632 0 50 FFAA Cn1ncc(-c2ccccc2)c1NC(=O)N1CCC[C@H]1Cn1cccn1 299758719 OTJMEXNAXIKDCL-INIZCTEOSA-N 350.426 2.980 0 50 FFAA Cc1cccn2c(CC(=O)NCc3noc(-c4cccs4)n3)cnc12 827855619 NJHCARRVUXSZJU-UHFFFAOYSA-N 353.407 2.613 0 50 FFAA Cc1cc(C)c(-c2nc(C3(c4ccccc4)CC3)nn2CCO)c(O)n1 828778368 LREWPYOADFTGJW-UHFFFAOYSA-N 350.422 2.735 0 50 FFAA CN1C[C@@H](C(=O)NC2CCN(Cc3cccs3)CC2)Oc2ccccc21 827763440 LYNBROPOEDMIEB-IBGZPJMESA-N 371.506 2.726 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CN(C)Cc1ccc(F)cc1 1565527530 MEGQTXYSOHLCMQ-OALUTQOASA-N 364.461 2.514 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc(Cl)s1 1565528811 XXWAUZUWQWHTFP-QWRGUYRKSA-N 358.872 2.962 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 952987842 JXPQOAPRGSNARC-OAHLLOKOSA-N 353.422 2.701 0 50 FFAA Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1 272614334 SFLQYWFTVXDLBU-VXGBXAGGSA-N 361.305 2.505 0 50 FFAA CCc1ccc(CCC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)cc1 170596828 BKPTXAWDDUPWGV-UHFFFAOYSA-N 368.433 2.564 0 50 FFAA COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2S(C)(=O)=O)cc1 170620252 RFVXOWZHRIVSFH-SFHVURJKSA-N 360.435 2.815 0 50 FFAA O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1C[C@H](F)CN1 188767182 KQCBWGGXCNVTDI-BLLLJJGKSA-N 374.287 2.774 0 50 FFAA O=C(N[C@H]1CCCc2c(O)cccc21)c1cccc(C(=O)N2CCCC2)n1 190270784 MEMDNXVVRKIJQT-INIZCTEOSA-N 365.433 2.831 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1506404465 UMMVAENGZKBSTQ-AWEZNQCLSA-N 361.405 2.602 0 50 FFAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1n[nH]c2c1COCC2 1506404064 AYDRTNKUAQGIFY-UHFFFAOYSA-N 367.409 2.503 0 50 FFAA COc1ccnc(C(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)c1 1704344036 MSYGOQFTDFUMQG-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA CC[C@H](C(=O)N1CCCN(C(=O)Nc2ccc(F)cc2)CC1)n1cccn1 1775983320 KEPRFQGHHHQNSA-QGZVFWFLSA-N 373.432 2.740 0 50 FFAA COc1cccc(CN2CCC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)c1 11819181 ROWRUTRWNZEGNX-INIZCTEOSA-N 354.454 2.690 0 50 FFAA CN(C(=O)CCc1cnccn1)[C@@H]1CCCN(CCc2ccccc2)C1 12050095 FRDDBZQNKWEMNT-HXUWFJFHSA-N 352.482 2.575 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 12138687 LPDAAAWNDUFZQS-MRXNPFEDSA-N 368.433 2.873 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)Nc3ccccc3C)CC2=O)cc1 12303682 DGONWEXZABQJFW-KRWDZBQOSA-N 367.449 2.969 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)no1 13745555 PYHDGEUQPDXYCV-GFCCVEGCSA-N 363.439 2.798 0 50 FFAA CC(C)c1nc(CNC(=O)[C@H]2CCCN(C3CCN(C)CC3)C2)cs1 15077032 KQKKSUNCSDNCQX-HNNXBMFYSA-N 364.559 2.689 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)N2CCC(O)CC2)Cc2ccccc2C1 15080086 HXHGCAIVKGVUFT-UHFFFAOYSA-N 364.489 2.639 0 50 FFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NCCc1ccccc1 18030016 VCJJYOKDJAKYPH-UHFFFAOYSA-N 365.458 2.888 0 50 FFAA O=C(c1ccncc1)N1CCC2(CC1)NC(c1ccc(Cl)cc1)=NO2 169755073 CIBABICUSZLVNO-UHFFFAOYSA-N 356.813 2.649 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccoc5)n4)c3CO2)cc1 169780902 LCFQQCMFUMABOL-HNNXBMFYSA-N 365.349 2.868 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c2cc(Cl)ccc2n1 1857669768 CCJXRAIWADBNEI-HXPMCKFVSA-N 374.824 2.760 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(C(=O)c4ccco4)C[C@]34CC[C@H]2O4)CCCC1 1857724034 JCGULEGEUKJIEC-YJPQMCDFSA-N 372.465 2.596 0 50 FFAA CC(C)CCOc1ccccc1CCNC(=O)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857730107 YOGPMOTWSUMPNU-QKNQBKEWSA-N 374.525 2.927 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N(C)CC(C)(C)O)C1 132698234 KTOJILAKSUHCGC-AWEZNQCLSA-N 353.894 2.887 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 263894285 MPYOFXLOAAJMEA-SFHVURJKSA-N 362.445 2.620 0 50 FFAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC1CC(OCc3ccccc3)C1)C2 903114493 BSVSFVKKRUXMGR-LXIAHWLOSA-N 358.526 2.804 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)Cc3c(Cl)cccc3Cl)C[C@@H]12 1704299752 SDSXXSRWVKEYLY-SJLPKXTDSA-N 371.308 2.841 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N1CCC(c2nc(C3CCC3)no2)CC1 827062354 QVDAGGKODQIYMF-UHFFFAOYSA-N 369.469 2.888 0 50 FFAA CC(C)C[N@@]1C[C@@H]1COc1ccc(-c2noc(-c3cnn(C)c3)n2)cc1 1875385311 QTEBOMCOFYFURV-GYCJOSAFSA-N 353.426 2.856 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1c(C)nc(CC)nc1C)C1CCCCC1 1875386792 YTLMCPBKUXMJFR-INIZCTEOSA-N 358.486 2.637 0 50 FFAA O=C(N1CCc2cc(C(F)(F)F)cnc21)[C@]1([C@H]2CCCO2)CCCO1 1875406220 ZQEYKBFXEHEAAR-CZUORRHYSA-N 356.344 2.718 0 50 FFAA C[C@H](CCc1ccc(F)cc1)N[C@@H]1CCC(=O)N(C)[C@H]1c1nccn1C 886085413 OKKSGIUNBUWKTH-LSBZLQRGSA-N 358.461 2.832 0 50 FFAA C[C@@H]1CN(c2cc(Cl)ccc2Cl)CCN1C(=O)c1ccc[n+]([O-])c1 888093184 QLAMANYUCVMKQH-GFCCVEGCSA-N 366.248 2.978 0 50 FFAA Cc1nc(C)c(CNC(=O)c2ccc3nnc(-c4cccn4C)n3c2)s1 2100540251 FYPCKDWDIJIXCV-UHFFFAOYSA-N 366.450 2.738 0 50 FFAA Cc1c(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cnn1C 2356150216 RHRLPMBOHMDLNH-JOCHJYFZSA-N 366.509 2.928 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3nccc4ncccc34)C1)CC2 2356156719 NQSZBGZQPIKAMV-OAQYLSRUSA-N 360.465 2.970 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 2356165305 BREGMJKHABLWAZ-QGZVFWFLSA-N 370.902 2.896 0 50 FFAA C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 6087605 QFKYSQQZFNUVSM-STQMWFEESA-N 359.495 2.841 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939954 OTDRFJLAQRFGLN-INIZCTEOSA-N 354.385 2.711 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]2C1 225454989 AQWZACKUIRTGQS-QPUJVOFHSA-N 357.193 2.714 0 50 FFAA COc1ccc(NC(=O)N2CCC(n3cc(CN(C)C)nn3)CC2)c(C)c1 23581936 OEIMUHUSERYREQ-UHFFFAOYSA-N 372.473 2.526 0 50 FFAA Cn1nccc1CNC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 112440623 VBZWZFXOLDSOHM-MRXNPFEDSA-N 366.425 2.907 0 50 FFAA COC(=O)c1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cc1 23128399 RQCLKZXUMUEKHI-NRFANRHFSA-N 374.525 2.922 0 50 FFAA CCn1c([C@@H]2CCCNC2)nn(Cc2nc(-c3cccs3)oc2C)c1=O 67851457 NJZISCBNHLNYPT-CYBMUJFWSA-N 373.482 2.605 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)NCc1cccnc1Oc1ccccc1F 67955872 ZFMOPZAHKGPAPV-ZDUSSCGKSA-N 355.373 2.557 0 50 FFAA Oc1ccc2cc(CN3CCN(c4ncc(Cl)cn4)CC3)cnc2c1 65464659 KIMRUJPRCYPUAK-UHFFFAOYSA-N 355.829 2.706 0 50 FFAA O=C(N1CCCC1)N1CCC[C@@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 330268900 RLTWRELBQQFPPJ-SJORKVTESA-N 360.506 2.696 0 50 FFAA COc1cccc(CCCNC(=O)c2ccc(N3CCOCC3)cc2)c1 66434271 LIWZAHVKXCUHBQ-UHFFFAOYSA-N 354.450 2.894 0 50 FFAA COc1cccc(F)c1-c1cc(C(=O)O)cc(S(=O)(=O)NC2CC2)c1 71746443 WAPCTYBXIVLAOQ-UHFFFAOYSA-N 365.382 2.640 0 50 FFAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccc5c(c4)OCO5)cn1c23 33089126 KOZFFJNTZWVULZ-GFCCVEGCSA-N 362.385 2.777 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc(=O)[nH]1 72164516 MXXOAJHAUYFWCZ-SFHVURJKSA-N 363.465 2.952 0 50 FFAA CCc1c(C)nn(CC(=O)NCC2(c3ccccc3)CCN(C)CC2)c1C 219070775 GEKRTNDSUCBNNB-UHFFFAOYSA-N 368.525 2.842 0 50 FFAA CC(C)(C)C(=O)NC1CCC(C(=O)N[C@@H](CO)c2cccc(F)c2)CC1 331319359 BJGZUQWQJMEQHT-IMRCBTMISA-N 364.461 2.696 0 50 FFAA O=C(CC1CCC(c2ccccc2)CC1)NS(=O)(=O)c1cnccn1 152512504 YOMDGUCYVVNRJM-UHFFFAOYSA-N 359.451 2.646 0 50 FFAA O=C(Nc1ccccc1Cl)[C@@H]1CN(C(=O)Cc2cccs2)CCO1 72479090 BUONPNZRYODQNP-HNNXBMFYSA-N 364.854 2.810 0 50 FFAA Cc1oc2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)nc(N)c2c1C 154163458 FKBKIGUPYQFTAT-INIZCTEOSA-N 374.485 2.972 0 50 FFAA Cc1ccc(-n2nc(C(=O)N[C@@H](C(=O)O)C(C)C)c3c2CCC3)c(F)c1 236726996 FCNPAOFDPMOCKO-MRXNPFEDSA-N 359.401 2.648 0 50 FFAA COc1ccc(C(F)(F)C(=O)NCc2nnc(S)n2C(C)C)cc1 132883828 HOGYAPDDDQKEDP-UHFFFAOYSA-N 356.398 2.565 0 50 FFAA O=C(NCc1coc2ccccc12)N1CCC2(CCC2)S(=O)(=O)CC1 334031504 LMHKTABYKUTLGX-UHFFFAOYSA-N 362.451 2.686 0 50 FFAA O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CCN1Cc1cccc(F)c1 77298134 CHHBXYJXVLBRLO-RBUKOAKNSA-N 352.409 2.800 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cnn(C(C)C)c3)[C@H](C)C2=O)cc1 77391606 GDMXPBGDMJPGTI-MRXNPFEDSA-N 354.454 2.646 0 50 FFAA CCCCOCC(=O)N1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 72143019 WEIBFQSVDCHOIT-VLCRHTCISA-N 372.509 2.901 0 50 FFAA O=C(NC[C@H]1CCCN(c2nc3ccccc3cc2CO)C1)c1ccco1 374547692 CRVMJVUZRRZJIW-OAHLLOKOSA-N 365.433 2.967 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72480302 PBZYCHCXFLMXRP-OAHLLOKOSA-N 350.357 2.722 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72144892 ZBZWIUXQWBXJJB-QGZVFWFLSA-N 357.404 2.675 0 50 FFAA CN(Cc1ccccc1N1CCCC1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 378079786 NIMYNBAUUIWKEL-MRXNPFEDSA-N 353.470 2.709 0 50 FFAA CCN1CCC[C@@H]1CN1Cc2c(C(=O)N3CCC(F)CC3)cccc2C1=O 72475542 DUIJEEOLTNQPPV-MRXNPFEDSA-N 373.472 2.701 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)Cn3cc(Cl)cn3)C2)c1 77426966 UGYFOUGXMUURIC-AWEZNQCLSA-N 363.845 2.863 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 44692264 MVTQUIQPAFDBDM-HNNXBMFYSA-N 369.396 2.948 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)NCCOc3ccccc3F)CC2)nc1 426530347 BLRGYGKGUOZEHZ-UHFFFAOYSA-N 373.428 2.601 0 50 FFAA O=C(N1CCN(c2ccccc2O)CC1)C1(c2ccccc2)CCOCC1 178070747 YBBKGDMNWOEFKJ-UHFFFAOYSA-N 366.461 2.789 0 50 FFAA CCCCN1CCC(CNC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 426475372 FUZBCKZXGLMAJY-GOSISDBHSA-N 359.518 2.878 0 50 FFAA COCCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2ccc(C)nc2N)c1 426566847 GGFZSXUIZHMYNB-GOSISDBHSA-N 369.465 2.907 0 50 FFAA CCOC(=O)N1CCN(c2nc(N3CCCC3)c3ccccc3n2)CC1 41148381 LQWJCJJAJMISQM-UHFFFAOYSA-N 355.442 2.509 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c1C 95365707 QNQOOGCVOTWGFD-DOTOQJQBSA-N 373.526 2.795 0 50 FFAA Cc1cc(NCCCN2CCCC[C@H]2CO)nc(-c2ccccc2O)n1 91270112 SXPSIRQUEXDYFH-INIZCTEOSA-N 356.470 2.806 0 50 FFAA Cc1n[nH]c(C)c1-c1ccc(C(=O)NCCCN2CCCC[C@@H]2CO)cc1 426693715 KHROJYMFTUOBTF-LJQANCHMSA-N 370.497 2.660 0 50 FFAA Cc1ccc(NCCCNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)nc1 91849249 GAAFBEZQQQDRLT-UHFFFAOYSA-N 351.410 2.718 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N(C)CCO)cc2)C1 91746369 VENMYPFMWVKCNV-NRFANRHFSA-N 360.498 2.686 0 50 FFAA CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCCN 426691339 UVTMVSPPTHVVGX-MRXNPFEDSA-N 351.878 2.813 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)OCCC[C@H]2OC 97492530 ZUDCBBSEGPRMET-GOSISDBHSA-N 363.502 2.902 0 50 FFAA O=C(COc1cccc(-c2nc([C@@H]3CCOC3)no2)c1)N1CCCCC1 96161087 VLTMZSBOQFQJQW-OAHLLOKOSA-N 357.410 2.632 0 50 FFAA Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239173852 OVATWFADTCMBJK-BUJXUYPKSA-N 364.445 2.685 0 50 FFAA O=C(NCCCN1Cc2ccccc2C1)[C@@H]1CCN(c2ccccc2)C1=O 95502356 HYAQFSOIVWUAGC-FQEVSTJZSA-N 363.461 2.562 0 50 FFAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c12 331479384 DTNSNZMFLGTQER-GFCCVEGCSA-N 358.442 2.784 0 50 FFAA CCCn1nc(-c2ccncc2)nc1Cn1cc(C(F)(F)F)ccc1=O 96140141 IEXLOKKTCNDRGB-UHFFFAOYSA-N 363.343 2.979 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccc1F)C2 91605164 DVDCKFJVSLVVRE-DOTOQJQBSA-N 367.424 2.526 0 50 FFAA Cc1ccc([C@H](C)CCN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)o1 91987281 NETADYZUPXZLBA-OAHLLOKOSA-N 362.470 2.871 0 50 FFAA c1cnn(Cc2nnc(C3CCN(Cc4nccs4)CC3)n2C2CC2)c1 91382038 MKGSXHWFWPASRJ-UHFFFAOYSA-N 369.498 2.694 0 50 FFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(C(=O)c3ccc[nH]3)CC2)n1 92028747 FCEXSAXPJBLADY-UHFFFAOYSA-N 367.375 2.909 0 50 FFAA Cc1oncc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95379694 RCEQSTXDANYABY-IPMKNSEASA-N 355.413 2.825 0 50 FFAA C[C@H](c1ccc(-c2cc(N3CCCC3)nc(N)n2)cc1)N1CCOCC1 97570827 SFOBXEXECZAKNZ-OAHLLOKOSA-N 353.470 2.719 0 50 FFAA CC(C)Cc1ccc(CN2C[C@@H](CN3CCCN(C)CC3)[C@@H](CO)C2)cc1 91452144 KEEBKQWVLQMUCT-DHIUTWEWSA-N 373.585 2.563 0 50 FFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)NCC1(CO)CCCC1 534642918 LTJKVWCWZRLXQH-UHFFFAOYSA-N 350.850 2.910 0 50 FFAA COCCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccncc2F)c1 299776415 BELACJKATLALPU-CYBMUJFWSA-N 369.400 2.617 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCC[C@@H](CO)C1 828711249 UOHKOQCDLRRLGB-HWWITLHISA-N 366.571 2.509 0 50 FFAA Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)cc2sc(N)nc12 827861348 FAFCJHIILPQPLE-UHFFFAOYSA-N 365.418 2.536 0 50 FFAA CO[C@H](C)CCNC(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 584884356 OTGALFXLNMXLMN-OAHLLOKOSA-N 371.437 2.947 0 50 FFAA CCCCc1nc(-c2nn(C)c3ccccc23)n(C[C@H]2COCCO2)n1 584884318 AEJKRNFHSZHZOF-AWEZNQCLSA-N 355.442 2.590 0 50 FFAA COc1ccc(CN2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1OCc1ccccc1 1529100136 NZKKDUBEBIXALZ-ZWKOTPCHSA-N 371.433 2.542 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)s1 1565527476 FVXXXVNQUXAQQS-HIFRSBDPSA-N 360.479 2.814 0 50 FFAA Cc1nc2n(n1)C[C@@H](NC(=O)c1cnc(Cc3ccc(F)cc3)s1)CC2 171345703 ARCVHCUKSRPURP-AWEZNQCLSA-N 371.441 2.518 0 50 FFAA CCCc1noc(CCCC(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)n1 170617864 TUEGLSOUZDHJNP-UHFFFAOYSA-N 356.430 2.926 0 50 FFAA Cn1ncc2c(SC[C@H]3CN(Cc4ccccc4)CCCO3)ncnc21 170617577 AINURXQSXALHPL-MRXNPFEDSA-N 369.494 2.747 0 50 FFAA CN(C)c1ccc(-c2cccc(NC(=O)N3CCS(=O)(=O)CC3)c2)cc1 170609639 CDKXLZVLQBVBCO-UHFFFAOYSA-N 373.478 2.682 0 50 FFAA Cc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCC4)cc1 169778261 XVOHCCCZZSXSQW-UHFFFAOYSA-N 350.422 2.790 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1ccc(F)cc1C(=O)O)C[C@H]2O 738047968 MZECQDHGJCHCHO-OAHLLOKOSA-N 361.369 2.590 0 50 FFAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 212543091 XSTMHQBHDGKDJV-ZBFHGGJFSA-N 361.511 2.519 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 1800414506 QXFOYTIINPZRSY-AWEZNQCLSA-N 359.344 2.898 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CN3CCc4ccccc4C3)C[C@H]2C1 1704350789 ORUODXSGUACACT-FXELSEDVSA-N 355.526 2.622 0 50 FFAA O=C1C[C@@H]2CN(C(=O)c3ccccc3OCCc3ccccc3)C[C@@H]2CN1 1775981759 OIJCQGRFFPKJKC-MSOLQXFVSA-N 364.445 2.516 0 50 FFAA COc1ccc2cc(S(=O)(=O)N3CC[C@H](O)C[C@@H]3C3CC3)ccc2c1 1772706230 QQPDZPJHPKRAQX-QFBILLFUSA-N 361.463 2.772 0 50 FFAA CCn1ccc(-c2nc(COc3cccc(F)c3)nn2[C@H]2CCOC2)n1 1772814899 UDUGABAZLDBGDA-AWEZNQCLSA-N 357.389 2.841 0 50 FFAA CC(=O)N1CCN(c2csc3ccc(Br)cc3c2=O)CC1 5202721 YSKMCSLIXTYLEU-UHFFFAOYSA-N 367.268 2.693 0 50 FFAA COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(F)cc2)c1N 11690512 GZMYIXVHISQTAA-UHFFFAOYSA-N 361.764 2.903 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 11699330 OFUHWJLFARHVNP-UHFFFAOYSA-N 366.421 2.602 0 50 FFAA O=C(C1CCOCC1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 14974319 WQCSDLPXUKZUTK-INIZCTEOSA-N 357.372 2.902 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 18250266 RLMRDKWMMVRVDQ-UHFFFAOYSA-N 368.418 2.989 0 50 FFAA CCCn1c2ccccc2c2nnc(SCCN3CCOCC3)nc21 19799092 SUFPVJHUWFGTCI-UHFFFAOYSA-N 357.483 2.814 0 50 FFAA Cc1ncsc1-c1ccc(CNC(=O)CC2(O)CCC(O)CC2)cc1 1857532485 VWACXZLQTVDSGW-UHFFFAOYSA-N 360.479 2.791 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857740815 ZYVPWDVZUWJPSO-WSTZPKSXSA-N 369.465 2.555 0 50 FFAA O=C(CCC1CCCCC1)N1CCN(C(=O)CC2CCOCC2)CC1 117241235 WHPJOMAAPXXYRK-UHFFFAOYSA-N 350.503 2.834 0 50 FFAA CNC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 237321842 MSIHDPJDAUNSMS-SECBINFHSA-N 356.797 2.589 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)ccc1Br 238105914 UYGDYWVDJFACCI-LLVKDONJSA-N 374.206 2.684 0 50 FFAA C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@@H]3OCCOCCO[C@H]2C1 12243843 BBGKDYHZQOSNMU-LWYYNNOASA-N 372.502 2.722 0 50 FFAA in-vitro CCOc1ccccc1CN1CCC(n2cc(C(=O)NC(C)C)nn2)CC1 15071592 TWGNZMIESWIGJP-UHFFFAOYSA-N 371.485 2.652 0 50 FFAA Cc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)cs1 248059945 ZSQXBUKFJQURHU-CABCVRRESA-N 360.483 2.793 0 50 FFAA O=C(Cc1ccon1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 151511960 RFRNXJPNVARLJJ-UHFFFAOYSA-N 374.750 2.633 0 50 FFAA Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CCCn4nccc43)[nH]nc21 818767031 BXQLMWJGSKVHRP-ZDUSSCGKSA-N 361.409 2.676 0 50 FFAA CNC(=O)NC1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)CC1 822793279 SPKVDAWCEGAMTL-UHFFFAOYSA-N 358.486 2.601 0 50 FFAA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cccc(C(=O)O)c1 952849559 MXKQBTWQMMSKHA-INIZCTEOSA-N 356.426 2.537 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)c3cccc(CO)c3)C[C@@H]2C2CC2)n[nH]1 952849169 ZWNZONCUSNOPPF-SJORKVTESA-N 354.454 2.686 0 50 FFAA COC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cnn(C)c1 1875348966 IMXOLXOWCAZBJU-OAHLLOKOSA-N 359.817 2.581 0 50 FFAA O=C(Nc1ccc(CN2CCCCC2)cn1)[C@H]1COc2ccccc2O1 1875320797 LGEZGYRNLZSOKT-GOSISDBHSA-N 353.422 2.846 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(C2CC2)oc1C1CC1 1875400687 IPIULASQTYWDOT-CSMYWGQOSA-N 355.438 2.800 0 50 FFAA Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1C 1159194 UQWLUEIFFAEANO-UHFFFAOYSA-N 358.419 2.894 0 50 FFAA O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCC[C@@H](O)C1 2325722026 UIGSRDNYXMOVNV-IEBWSBKVSA-N 352.434 2.753 0 50 FFAA O=C1Nc2ccc(F)cc2[C@H]1CC(=O)N1CC[C@H](c2cccc(O)c2)C1 2325773631 DJRVZVHGGZLUDJ-SUMWQHHRSA-N 354.381 2.973 0 50 FFAA CC(C)c1cccc(C(=O)NC2(C)CN(C(=O)[C@H](C)OC(C)(C)C)C2)n1 2325827526 ITSXOUSDDZKVAP-AWEZNQCLSA-N 361.486 2.739 0 50 FFAA O=C(NCCNc1ccc(O)cc1)[C@H](O)c1ccc(Cl)c(Cl)c1 2325861057 DIDPTDBBCYUTEV-OAHLLOKOSA-N 355.221 2.961 0 50 FFAA CN(C[C@@H]1CCCN1C(=O)C1CC1)C(=O)c1ccc2c(c1)CCCCN2 2325867185 NQPSUQRHULBVLI-SFHVURJKSA-N 355.482 2.908 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc(OCC)cc2)cc1 920348430 PBIRTHZGJWCFHL-UHFFFAOYSA-N 367.405 2.578 0 50 FFAA CCOc1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O 652551 KZKJYKYBKHGHSF-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA COc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 944924 UAZLDUCDCUZZIO-NSHDSACASA-N 374.462 2.998 0 50 FFAA CCOc1ccc(N([C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 1154960 GEAMHLLGLQUEQX-CQSZACIVSA-N 368.499 2.689 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 6760141 FCNGITDINMGTCP-JOYOIKCWSA-N 374.388 2.981 0 50 FFAA Cc1cccc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 9266051 MCEIPZQWOYGAJY-UHFFFAOYSA-N 369.440 2.603 0 50 FFAA Cc1cc(C)cc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c1 9870428 WUQLIUGUODUZDO-CQSZACIVSA-N 356.403 2.821 0 50 FFAA Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@H]3C2=O)c1 102678893 QKUSLTJRZAQGFN-XUVXKRRUSA-N 361.445 2.839 0 50 FFAA COc1ccc2c(NC(=O)[C@@H](C(C)C)N3C[C@H](C)O[C@H](C)C3)n[nH]c2c1 248720853 FLPKKTGRKSQLHW-IIYDPXPESA-N 360.458 2.644 0 50 FFAA Cc1ncc(CO)c(CN2CCc3[nH]cnc3[C@@H]2Cc2ccccc2)c1O 67741352 NYQBUDPOFZLSIS-IBGZPJMESA-N 364.449 2.653 0 50 FFAA C[C@@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2cccnc2)no1 65455198 YZPZNDBFDCBOCR-GFCCVEGCSA-N 361.409 2.749 0 50 FFAA O=C(Cn1ccc2ccccc2c1=O)N1CCOc2ccc(F)cc2C1 468380343 CLTCEPUZSGOXHD-UHFFFAOYSA-N 352.365 2.562 0 50 FFAA O=C(COc1ccc(O)cc1)N1CCC(n2c(O)nc3ccccc32)CC1 468303684 VJUVHWSXAKGIFD-UHFFFAOYSA-N 367.405 2.690 0 50 FFAA Cc1cc(=O)oc2cc(CN3CCC(N4CCC(O)CC4)CC3)ccc12 67514185 GTNVBSYNURKXAP-UHFFFAOYSA-N 356.466 2.523 0 50 FFAA COc1cccc(Cl)c1CNC(=O)CNC(=O)c1ccc(F)cc1F 252503542 VEZZNUNVMHTLGC-UHFFFAOYSA-N 368.767 2.673 0 50 FFAA O=C1C[C@H](COC(=O)COc2cc(Cl)c(Cl)cc2Cl)CN1 120179734 LDSIEDQWKRFLAW-ZETCQYMHSA-N 352.601 2.705 0 50 FFAA Cc1nccn1CCCNC(=O)c1ccc2sc3c(c2c1)CCNC3=O 218827131 AARSQNWMPCWJRO-UHFFFAOYSA-N 368.462 2.512 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@H]1c1cccc(F)c1F 121284267 YOCXTFZYHGDWKX-SNPRPXQTSA-N 358.392 2.644 0 50 FFAA Cc1cc(N2CCCN(Cc3cnc(-c4ccccn4)nc3)CC2)ccn1 72156397 MOHRHMDNTBUOBI-UHFFFAOYSA-N 360.465 2.954 0 50 FFAA CN(Cc1ccc2nonc2c1)Cc1ccc(Sc2nncn2C)o1 215129662 NZSBNDVRWPJXKL-UHFFFAOYSA-N 356.411 2.728 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCOCc1ccccc1)C2 219730360 JEJMUGFAGAGILE-MRXNPFEDSA-N 357.454 2.666 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1 72454690 ZVTDXCHXQNTHPR-UHFFFAOYSA-N 355.394 2.963 0 50 FFAA CC(C)(C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1)n1cccc1 72408956 SIXZMSVPTODDTH-UHFFFAOYSA-N 356.422 2.748 0 50 FFAA CCCn1nccc1C(=O)N1CCn2nc(CN3CCCCCC3)cc2C1 72423671 NNRSTDOBTNXRQX-UHFFFAOYSA-N 370.501 2.522 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(c2ccnc(C3CC3)n2)CC1 328630524 JLFJRFDTWMXSAK-INIZCTEOSA-N 364.515 2.527 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 77470959 ZXKSFSKVLDPGEZ-OAHLLOKOSA-N 363.421 2.696 0 50 FFAA CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc(-c3ncn[nH]3)c2)no1 154523707 BKNIONFKOBJSEL-AWEZNQCLSA-N 352.398 2.955 0 50 FFAA CN1CCC(N(CCn2c(=O)oc3ccccc32)Cc2cccnc2)CC1 215994905 JNDDGCQAUNCVDX-UHFFFAOYSA-N 366.465 2.586 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccn(C(F)F)n2)[C@H](C)C1 72458390 SQUAIKPTMOSBMC-GFCCVEGCSA-N 350.369 2.638 0 50 FFAA COc1ccc(C(=O)N2CCC(NCc3cccnc3C)CC2)c(OC)c1 237433771 KMZXPLAMTGGSQL-UHFFFAOYSA-N 369.465 2.802 0 50 FFAA COC(=O)C(C)(C)CNC(=O)c1nn(-c2ccccc2C)c2c1CCC2 158005244 AALUZLQCSMJESM-UHFFFAOYSA-N 355.438 2.598 0 50 FFAA COc1ccc(F)c(-c2nc(CN3[C@H]4CC[C@@H]3CC(=O)NC4)c(C)o2)c1 71422387 PLBROYQTNUAZKW-OLZOCXBDSA-N 359.401 2.651 0 50 FFAA COc1cccc(CNC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)n1 284419262 CRWKBXWKZWVKQW-MGPUTAFESA-N 355.486 2.529 0 50 FFAA COCc1ccc([C@@H]2CCCN2CCNS(=O)(=O)c2ccccc2)o1 131193914 HXJIBKHCWIETLF-KRWDZBQOSA-N 364.467 2.541 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c(O)c1 82119967 ONPJNHSHWOAMGJ-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA COCC1(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)CCC1 82096605 BRJLEVVTGKFWAI-ZDUSSCGKSA-N 350.846 2.720 0 50 FFAA Cn1c(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc2cc(C(F)(F)F)ccc21 177816743 HDXNDPBZKVEOFX-CHWSQXEVSA-N 367.371 2.971 0 50 FFAA O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N[C@@H]1CCS(=O)(=O)C1 426620028 LDALXVZPSRKVEA-OAHLLOKOSA-N 366.870 2.571 0 50 FFAA CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)cc1 426515809 XSVBMIQCNNMNSW-QZTJIDSGSA-N 373.522 2.806 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN(CCOc2ccccc2)CC1 82083484 SLYBCGVNPNWKAR-UHFFFAOYSA-N 359.495 2.607 0 50 FFAA Nc1nccc(C2=NO[C@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)n1 20404913 OJPVPDBQTZRESW-QMMMGPOBSA-N 372.738 2.731 0 50 FFAA CN1CCC(N(Cc2ccccc2)C(=O)c2ncn(C(C)(C)C)n2)CC1 292361090 PVPXTVQXYSPRRP-UHFFFAOYSA-N 355.486 2.770 0 50 FFAA COc1ncc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1C(N)=O 292617786 FVIAJIZPAWKDSD-MRXNPFEDSA-N 366.421 2.948 0 50 FFAA Cc1ccccc1CN(CCO)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91269855 HXDNANPSQYSXEB-UHFFFAOYSA-N 372.509 2.745 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3cc(-c4ccccc4)no3)C2)C1=O 91585532 XUGDYEKYJMVWOH-NRFANRHFSA-N 369.465 2.803 0 50 FFAA Cc1nc(CN2CCN([C@@H](C(=O)O)c3cccc(C)c3F)CC2)cs1 95520466 AJQKBTCHSONLFL-QGZVFWFLSA-N 363.458 2.843 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H]1COc2ccccc2C1 91645378 KBUCNQNTNGCIKH-ZDUSSCGKSA-N 353.344 2.578 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCC(=O)c3ccc(F)cc3)[C@H]2C1 426359631 NFEWCPXVHUHHLW-IMFGXOCKSA-N 363.429 2.974 0 50 FFAA Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N(C)[C@H]1CCCc2ccccc21 180405075 ZWBSFEBEHWHPPZ-KRWDZBQOSA-N 356.470 2.644 0 50 FFAA COc1ccc(-n2cc([C@@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)cn2)cc1 91551515 RWBWXJYAYYQLOR-CQSZACIVSA-N 366.421 2.677 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)NCc2csc(CSC)n2)c1 97514292 MCDROKGQHGJRNS-UHFFFAOYSA-N 352.437 2.643 0 50 FFAA Cc1oc2c(c1C(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C(=O)CCC2 91487058 IVAZIYYYSYGQJM-UHFFFAOYSA-N 365.389 2.616 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cccs1)C2 95354601 MUNWZTMUJWWEKA-JKSUJKDBSA-N 369.490 2.839 0 50 FFAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1cccc(F)c1F)CC2 91893404 GTIGXHGCROYRLB-CYBMUJFWSA-N 366.408 2.643 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)CN1C(=O)CC[C@H]1C 95515128 BCCXRGOOMQGFMF-MRXNPFEDSA-N 354.450 2.826 0 50 FFAA COc1cccc(SCC(=O)NC[C@H]2CCCN(c3ncccn3)C2)c1 94102379 KWCXJXHPTCWVCC-OAHLLOKOSA-N 372.494 2.610 0 50 FFAA Cc1c(CN2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cnn1C 95531267 LQUULIPGZZLYKY-GOSISDBHSA-N 350.470 2.748 0 50 FFAA CCc1c(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)csc1C 91745686 BODNNKCGRXRPOP-LJQANCHMSA-N 364.511 2.720 0 50 FFAA O=C(c1cccc2cnccc12)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91997218 PRRAFZIIYHWVLT-DOTOQJQBSA-N 359.433 2.766 0 50 FFAA CCc1nccn1CCC(=O)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 244715832 LDFWNNOGDGFVKZ-BBEGDGIKSA-N 363.408 2.742 0 50 FFAA CN(CCC(=O)NCc1ccccc1F)C[C@H]1COc2ccccc2O1 244852614 UVRWIDVKPQQNHE-INIZCTEOSA-N 358.413 2.604 0 50 FFAA Cc1nc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cc2nncn12 298817439 GHRSXOGRCLMTFA-JTQLQIEISA-N 351.336 2.559 0 50 FFAA Cc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(O)nc1C 253535185 GMTXBDPSBHWZAN-JTDSTZFVSA-N 368.433 2.581 0 50 FFAA CCOc1ccc2c(c1)[C@@H](NC(=O)NCc1c(C)nn(C)c1C)CCO2 184630386 IIRLZALYRXSSPT-KRWDZBQOSA-N 358.442 2.759 0 50 FFAA CC(C)c1ccc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)nn1 534645457 XQYZULCZONIKMU-UHFFFAOYSA-N 368.481 2.719 0 50 FFAA CN(C)C(C)(C)CNC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 534646620 MRNTXAXPGGAANI-HNNXBMFYSA-N 351.466 2.966 0 50 FFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCc1nc3cc(C)c(C)cc3[nH]1)C2 534640066 GOJWDGJUDZPCTG-QWHZDKJVSA-N 356.470 2.789 0 50 FFAA Cn1c(CNC(=O)CN2C[C@@H]3CC[C@H]2C3)nc2cc(C(F)(F)F)ccc21 299763635 PUCIJDSVZNYOBD-YPMHNXCESA-N 366.387 2.693 0 50 FFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)NCCC(=O)NC1CCCCC1 584894185 JEDLRBZHZWUQOP-IBGZPJMESA-N 374.529 2.770 0 50 FFAA CCCc1nnc(-c2cccc(C(=O)N[C@@H](C)Cn3cncn3)c2)s1 584895905 YJZIQAPUERFXNB-LBPRGKRZSA-N 356.455 2.568 0 50 FFAA Nc1nccc([C@@H]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)C2)n1 170618672 JUQKWXXVNHRXCR-CYBMUJFWSA-N 362.380 2.609 0 50 FFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 269247821 MZIWHGWGQDFPKX-DBXWQHBBSA-N 355.526 2.814 0 50 FFAA COc1nc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)cc2ccccc12 279183998 IRDSVACLSLLHFT-AWEZNQCLSA-N 356.422 2.654 0 50 FFAA Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H](c2nncn2C(C)C)C1 273256485 VOJNIZPAOHPGDB-AWEZNQCLSA-N 366.462 2.875 0 50 FFAA Cn1c(Sc2cc(C(F)(F)F)nc3ncnn23)nnc1C1CCC1 302040567 HTLTUCVMFHHYIH-UHFFFAOYSA-N 355.349 2.690 0 50 FFAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCc2ccc(F)cc21 194899499 RUYBTCJXKZASAQ-KRWDZBQOSA-N 374.437 2.568 0 50 FFAA CCNC(=O)N1CCC(NC2CCN(c3ccc(F)cc3C)CC2)CC1 1506420477 FGBIRTLSKWKIRA-UHFFFAOYSA-N 362.493 2.886 0 50 FFAA CCCCn1nc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 1506403940 XSYVPQUXCPTPDI-HNNXBMFYSA-N 370.453 2.992 0 50 FFAA O[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@H]1Cc1cnccn1 1529182588 VHCYQBVZXLMXCN-DYESRHJHSA-N 353.466 2.833 0 50 FFAA COc1ccccc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 212087383 YZHURKBMDOOUAL-CVEARBPZSA-N 357.454 2.950 0 50 FFAA CN1C[C@@]2(CCCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)OC1=O 1704339994 AYASMPWUDJVJDN-FQEVSTJZSA-N 372.469 2.519 0 50 FFAA COc1cccc(-c2cccc(C(=O)N(CCO)Cc3cncn3C)c2)c1 1704326203 XRKJZYWFMGUAHC-UHFFFAOYSA-N 365.433 2.730 0 50 FFAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Br)s1 6731696 PIWLCBDTWDASHI-UHFFFAOYSA-N 350.201 2.943 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775981855 XIBKTRXVUMFLFT-NRFANRHFSA-N 361.449 2.775 0 50 FFAA CCOc1ccc2nc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)ccc2c1 1772708142 CJYQIUCSPZSNKO-QRWLVFNGSA-N 356.422 2.557 0 50 FFAA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1ccncc1 12324587 HAEGDVWYKQKIBQ-UHFFFAOYSA-N 352.390 2.754 0 50 FFAA biogenic O=C(NC1CC1)[C@H]1CCCN(C2CCN(Cc3cccc(F)c3)CC2)C1 12430347 GAYIABVHINHIKH-KRWDZBQOSA-N 359.489 2.781 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)N[C@H]3CCOC(C)(C)C3)n[nH]2)c1 12445363 RTESBMWQWKTEII-HNNXBMFYSA-N 371.437 2.879 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NCc3cnc(C)cn3)nc2)n1 15080135 NZFBLGGOTBXERO-UHFFFAOYSA-N 368.466 2.741 0 50 FFAA Cn1cc(CN2CCC[C@@H]3CN(C(=O)Cc4ccccc4F)CC[C@@H]32)cn1 19110902 MNXCJPAKUGNSNA-QUCCMNQESA-N 370.472 2.615 0 50 FFAA Cc1ccc(CCC(=O)N[C@H]2C[C@@H](Cn3ccnc3)C[C@@H]2O)cc1Cl 1857531257 XGNBFEUDRAWYLP-NJAFHUGGSA-N 361.873 2.733 0 50 FFAA CCOCCC(=O)N1CCC[C@@]2(CN(Cc3ccc(C)cc3)CC[C@H]2O)C1 1857689368 BORREOLWHKDUML-IFMALSPDSA-N 374.525 2.597 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)C3(N)CCCC3)C1)CC2 1857696493 CWDOUPFQMNZVRT-HXUWFJFHSA-N 372.513 2.558 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3ccc(CC(=O)O)cc3)CC2)O1 1857696613 JGQGVCHKCNOZLU-RTBURBONSA-N 361.482 2.844 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2c(-c3ccccc3)noc2C)CC[C@H]1O 1857727048 JXWWKBZAFACDBW-UZLBHIALSA-N 358.438 2.636 0 50 FFAA C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 123996620 HFMJQGZQNMKBCG-KFWWJZLASA-N 359.470 2.987 0 50 FFAA CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H](C(=O)O)C3)n2)cc1 236854022 HFGQECYBWNGCSZ-HNNXBMFYSA-N 357.410 2.726 0 50 FFAA CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(cc1F)NC(=O)CC2 132500591 KBDVSBUKTIALHF-UHFFFAOYSA-N 356.353 2.711 0 50 FFAA C[C@H](C(=O)O)C(=O)NCc1ccc(Br)cc1C(F)(F)F 263550872 KSPQLUVZNNFEFC-LURJTMIESA-N 354.122 2.805 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC[C@H](Nc3ccccc3)C2)CN1CC(F)(F)F 164122972 LOOXOCVGSZSOJF-HIFRSBDPSA-N 369.387 2.500 0 50 FFAA NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(Br)o1 20119768 KREALCWCZJLCLT-UHFFFAOYSA-N 351.200 2.560 0 50 FFAA COCc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)cc1F 868883845 PBNMXFCGPZJMSO-MJGOQNOKSA-N 356.397 2.722 0 50 FFAA Cn1cc(C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)c(-c2cc(F)ccc2F)n1 868883663 KPMDSQFARHUTRT-HIFRSBDPSA-N 371.334 2.644 0 50 FFAA CO[C@H]1C[C@@H](CNCc2cccc3ccoc23)N(c2cc(C)ncn2)C1 952850070 XHSHASUSLFRCRA-ROUUACIJSA-N 352.438 2.915 0 50 FFAA O=S(=O)(c1cccc2ccncc12)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 1875271071 KSOGLZQNKWUSLW-QOKNQOGYSA-N 358.463 2.815 0 50 FFAA COC[C@@]1(CNC(=O)c2ccccc2N(C)C)OCCc2ccccc21 1875267881 ODOVTIYDXCBRSX-OAQYLSRUSA-N 354.450 2.597 0 50 FFAA CO[C@H]1C[C@@H](C(=O)O)CN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320033 DAPZPPFKXUNYSW-NEPJUHHUSA-N 372.343 2.540 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 1875344870 PWOCLGKLMBGXOA-CJNGLKHVSA-N 358.486 2.834 0 50 FFAA O=C(N[C@H]1C[C@@H](O)C12CCOCC2)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320481 REQABGXGQPHBFQ-DZGCQCFKSA-N 370.371 2.638 0 50 FFAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)[C@@H]2COc3ccc(F)cc3C2)o1 1875312503 FEGQMNAJNULONH-YRVVQQKDSA-N 371.412 2.860 0 50 FFAA Cc1ccc(C)c(CC(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c1 886043291 ICNCVTYKIZKJIO-RXVVDRJESA-N 351.450 2.577 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 4536023 NEYXEKWNNJKINR-IBGZPJMESA-N 368.414 2.748 0 50 FFAA CC1=Nc2ccc(S(=O)(=O)N[C@H]3CCn4c(C)cnc4C3)cc2C1(C)C 2325809720 BXZFKRKHOBUZEE-AWEZNQCLSA-N 372.494 2.868 0 50 FFAA C[C@H](C1CC1)n1nc([C@@H]2CN(C)CCO2)nc1-c1c[nH]c2ncccc12 2325880112 VFPMOPGMQMDAGV-WBMJQRKESA-N 352.442 2.796 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(O)c2Br)C1 2325889235 GXSAYCXBYRHLCG-JTQLQIEISA-N 353.216 2.518 0 50 FFAA C[C@H](NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1COc2ccccc2C1 903048320 MAQBXLHXWRHTMB-WTOYTKOKSA-N 366.505 2.983 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1 783656 GVHRWZDQEOFUJU-UHFFFAOYSA-N 357.435 2.731 0 50 FFAA COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OC)c(OC)c1 780321 LVTLPDVTKBJRAU-UHFFFAOYSA-N 359.378 2.956 0 50 FFAA COC(=O)c1ccc(CNC(=O)c2nc(-c3cccc(C)c3)no2)cc1 6746649 VNULSKCMEFYGNP-UHFFFAOYSA-N 351.362 2.762 0 50 FFAA Cc1scc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C 6825318 NMXDHQPOUCHSEN-UHFFFAOYSA-N 364.492 2.512 0 50 FFAA Cc1n[nH]cc1CN1C(=O)CN(Cc2ccc(C(F)(F)F)cc2)C1=O 225456126 GYCBVYMHBZILRP-UHFFFAOYSA-N 352.316 2.701 0 50 FFAA CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12 101231224 FGKWKVAHFUBICB-QILLFSRXSA-N 372.490 2.911 0 50 FFAA O=c1oc2ccccc2n1CCN(Cc1ccccn1)C[C@@H]1CCCO1 55369317 LWEVDISFSDGMSC-KRWDZBQOSA-N 353.422 2.671 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2C)cc(-n2cccn2)n1 65364082 BBEGDGDDVHMPQQ-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA COc1ccc(-c2cn(C[C@@H]3CCCN(c4ncccn4)C3)nn2)cc1 63855357 LYQUVEMGATZKIZ-OAHLLOKOSA-N 350.426 2.660 0 50 FFAA CC(C)(C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607495 QFXDEMSKSBEISC-UHFFFAOYSA-N 372.918 2.797 0 50 FFAA CN(CCC(C)(C)O)C(=O)c1cc(COc2ccc(F)cc2F)on1 67673337 WKEAAZRKYDBCSG-UHFFFAOYSA-N 354.353 2.765 0 50 FFAA COc1cc([C@H]2c3nc[nH]c3CCN2Cc2cccnc2)cc2c1OCO2 67818804 LLKRLROAJQUILO-IBGZPJMESA-N 364.405 2.690 0 50 FFAA CC1(C)[C@H]2CC=C(CCNC(=O)c3cc(CN4CCC(O)CC4)on3)[C@@H]1C2 67788935 LERLSDPCZKBZKI-YJBOKZPZSA-N 373.497 2.744 0 50 FFAA CCn1c(CCNC(=O)c2ccc3c(c2)CCNCC3)nc2ccccc21 252497161 QACGQIXSUOHNNS-UHFFFAOYSA-N 362.477 2.717 0 50 FFAA CC[C@H]1CN(C(=O)c2ccc(OC)o2)CCC(=O)N1Cc1ccccc1 71498951 VDAUVHCODNVIKC-INIZCTEOSA-N 356.422 2.942 0 50 FFAA COc1cc(NC(=O)[C@@H]2CC(c3ccccc3F)=NO2)cc(OC)c1OC 6738430 ZFBGTSDJRXWNEQ-KRWDZBQOSA-N 374.368 2.983 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@H](C(=O)O)N(C)C4)cc2c1C 72129535 OHAZJCKGTSIOTG-GOSISDBHSA-N 369.465 2.796 0 50 FFAA CN(C(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 124317809 KTTDHMSIPPIBGN-MJBXVCDLSA-N 359.451 2.911 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(c2nc3ccccc3s2)CC1 328631767 KWCXKYCEHUKEHL-AWEZNQCLSA-N 368.510 3.159 0 50 FFAA CSc1cccc(CNc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)c1 77408386 OYQYCTDUQUSBJY-UHFFFAOYSA-N 371.510 2.781 0 50 FFAA Clc1ccccc1-n1cc(CN2CCC(N3CCOCC3)CC2)cn1 215820970 DKNOETDRXNYWHH-UHFFFAOYSA-N 360.889 2.822 0 50 FFAA Cc1nc(CN2CCN(Cc3cc4c(cc3C)OCCO4)CC2)cs1 216029290 OHJBRQVBFJMGAB-UHFFFAOYSA-N 359.495 2.849 0 50 FFAA O=C(Cc1ccccc1F)N1CCC[C@H](Cc2nnc3ccccn23)C1 375123952 JMHFNEXWGPUAOM-OAHLLOKOSA-N 352.413 2.892 0 50 FFAA Cn1ccnc1[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 378272577 YMCMMOVNXJSUCU-OALUTQOASA-N 367.497 2.756 0 50 FFAA O=C(NCc1ccc(N2CCCC2)nc1)N[C@H]1CCN(CC2CCCC2)C1 174882993 XGSAEXOFCRVTCM-IBGZPJMESA-N 371.529 2.746 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 237632089 ULZDMPHAJDPTBI-WCQYABFASA-N 359.451 2.533 0 50 FFAA O=C(C[C@H](O)c1cccc(F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1 237995004 NLTLXSJUBAHEJA-SFHVURJKSA-N 371.408 2.894 0 50 FFAA CC(C)Oc1cccc(CN[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)c1 284582077 PQGOHWGZPDZLCC-YLJYHZDGSA-N 356.470 2.659 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)[C@@H](C)Cn3cccn3)s2)c1 223385205 BDNSZNMWKPPBRB-ZDUSSCGKSA-N 356.451 2.968 0 50 FFAA C[C@@H](NC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccc(Br)cc1 175177926 GITBBQSBRMTERX-VXGBXAGGSA-N 368.275 2.807 0 50 FFAA Cn1cccc1[C@H]1CCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 175207631 HSMKNVMPQZHJFJ-TZIWHRDSSA-N 367.493 2.980 0 50 FFAA O=C(O)[C@H]1[C@@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@@]23C=C[C@H]1O3 138709458 QDKJBAZDSXUQIO-IDVKNYFZSA-N 361.397 2.643 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 289269065 RJNWLFWQQKEUHE-BYHHXJKWSA-N 368.399 2.917 0 50 FFAA Cc1nc2ncnn2c(O)c1CCOC(=O)c1ccc(C(F)(F)F)cc1 198447899 GZCBAERWGOMJBP-UHFFFAOYSA-N 366.299 2.557 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCN(C(C)C)[C@@H](CCO)C2)CC1 20109479 CKGGQKOOZIRPIP-FQEVSTJZSA-N 363.521 2.880 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(Cc3cccnc3N)CC2)c1 82098009 YPQLLBRTNVBUOC-UHFFFAOYSA-N 359.401 2.610 0 50 FFAA Cc1c(NC(=O)NCCCNc2cccnc2)cccc1C(=O)N(C)C 426517588 NPRHCJJFBSUOPQ-UHFFFAOYSA-N 355.442 2.716 0 50 FFAA Nc1nc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)O)C2)cs1 426387005 CAJBIPVOCPZQBY-NJSLBKSFSA-N 371.462 2.836 0 50 FFAA NCCOc1ccc(F)cc1C(=O)N1CCCN(C2CCCCC2)CC1 426485978 CLWZOYKOKQESCG-UHFFFAOYSA-N 363.477 2.644 0 50 FFAA CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91657158 RTFHETPJVKJBDL-UKRRQHHQSA-N 364.921 2.859 0 50 FFAA CCc1nnc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)o1 95356398 CVMKVDZEMGLLCU-CYBMUJFWSA-N 358.471 2.713 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCN(c2cnccn2)CC1)c1ccc(F)cc1 91326974 AHFPBPFUUTVJKA-FQEVSTJZSA-N 354.429 2.632 0 50 FFAA CSc1nccc(N2CCC(N[C@H](C)Cn3nc(C)cc3C)CC2)n1 95375519 YXZIYZDIDLBOOV-CQSZACIVSA-N 360.531 2.659 0 50 FFAA O=C(Cc1ccc2ccccc2c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91326349 RVPACVRYNGWWDQ-FGZHOGPDSA-N 366.505 2.935 0 50 FFAA COc1cc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)ccc1O 426403559 RITZFHGRVVZNIG-UHFFFAOYSA-N 370.405 2.640 0 50 FFAA Cc1cc(C)c(CCNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)c(C)c1 95502178 CTNRLEQNFWFOPX-IBGZPJMESA-N 365.477 2.714 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)C2 91931253 PPJVQDQKLLZZQQ-HNNXBMFYSA-N 361.467 2.507 0 50 FFAA O=C1C[C@H](C(=O)NCCCN2CCc3ccccc32)c2cc(F)ccc2N1 97636600 QNSSFDGEGAQMQA-KRWDZBQOSA-N 367.424 2.821 0 50 FFAA Cc1ccn2cc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)nc2c1 97698693 NAZHNGIKWZMCHW-LJQANCHMSA-N 363.465 2.995 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C1CCOCC1 238067904 PEMYCTQANMGCPC-HUUCEWRRSA-N 353.365 2.551 0 50 FFAA Fc1cnc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)nc1 96166277 VARSHXQTUDCIMM-UHFFFAOYSA-N 371.464 2.522 0 50 FFAA CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1nc[nH]c1C)C2 91550408 WWVNMOZRYNRFFD-LSDHHAIUSA-N 371.510 2.572 0 50 FFAA Cc1noc(C)c1CNC(=O)CCSc1nnc(-c2ccncc2)o1 243914952 BLBNJRLCQGWTTP-UHFFFAOYSA-N 359.411 2.535 0 50 FFAA Cc1oc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)O 299742293 AZAIQAAGXGROSX-GOSISDBHSA-N 370.405 2.656 0 50 FFAA CN1CCC[C@@H]1CCNC(=O)c1cccc(-c2nc(C(C)(C)C)n[nH]2)c1 534655009 BFYZATMUABYILD-MRXNPFEDSA-N 355.486 2.983 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)[nH]1 299770176 ZXVGGZBGUODHIL-BBWFWOEESA-N 373.497 2.510 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(Cc2ccc4[nH]ccc4c2)C3)cn1 299775726 HZJCABUYZPTKPQ-UHFFFAOYSA-N 359.437 2.782 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 299792462 FGDOUGADLDGKAO-HKUYNNGSSA-N 366.421 2.951 0 50 FFAA CC[C@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1ncc(C)[nH]1 584902273 NXLFQTZDENFVIF-KRWDZBQOSA-N 357.458 2.955 0 50 FFAA CC1(C2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)OCCO1 268051935 VYCSMIQEGTVDDX-IBGZPJMESA-N 358.482 2.653 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 952990370 XYYFFUADVTWWDE-CQSZACIVSA-N 368.441 2.639 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565531347 YFWUFLKGDGDGMQ-HOTGVXAUSA-N 366.870 2.830 0 50 FFAA CC[C@H](C)Cc1nc(Cc2c(C)nc(C)nc2O)n(-c2ccncc2)n1 952873206 ILDCBZRTKKEXSC-LBPRGKRZSA-N 352.442 2.954 0 50 FFAA O=C(NS(=O)(=O)[C@H]1CC2CCC1CC2)c1ccc(Br)o1 408490694 CILPJXXJHZEKSL-AMUVOQDHSA-N 362.245 2.680 0 50 FFAA COCc1ncc(-c2noc(Cc3cccc(OC(C)C)c3)n2)c(N)n1 170595985 UBFMOQAEYZZBHJ-UHFFFAOYSA-N 355.398 2.633 0 50 FFAA CC(C)N1CCO[C@@H](COC(=O)CCC(=O)c2ccc(F)cc2F)C1 170609290 SBLMDSHLBVWQCF-CQSZACIVSA-N 355.381 2.580 0 50 FFAA Clc1ccccc1[C@H](CN[C@@H]1CCN2CCC[C@@H]2C1)N1CCOCC1 166066724 XFCFIISPYICRJF-HLIPFELVSA-N 363.933 2.930 0 50 FFAA Cc1ccc2ncnc(Nc3cnn(Cc4nnc5n4CCCC5)c3)c2c1 277883921 MUCIBGRRVACTGW-UHFFFAOYSA-N 360.425 2.854 0 50 FFAA COc1cnccc1[C@@H](C)NC(=O)Nc1ccnn1-c1cc(C)ccn1 189864755 JSWUJBANVBCFQQ-CYBMUJFWSA-N 352.398 2.862 0 50 FFAA O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccncc1F 191925074 DFQXKRPUXCBPDE-INIZCTEOSA-N 358.417 2.633 0 50 FFAA Cn1ncc2c1C[C@H](C(=O)OCc1csc(-c3ccccn3)n1)CC2 798765938 XMCHQGGSXFMHBO-GFCCVEGCSA-N 354.435 2.787 0 50 FFAA CN(Cc1ccc2ncccc2c1)C(=O)c1ccc(N2CC(=O)NC2=O)cc1 1506407080 IFNXMHNGJYGCEI-UHFFFAOYSA-N 374.400 2.563 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)nc(O)n1 1506398567 RVTIOECNVZCYQO-UHFFFAOYSA-N 357.439 2.658 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)CCN12 1529113229 CRTVJSAEJXWTOZ-DLBZAZTESA-N 355.438 2.667 0 50 FFAA CCOc1cc2c(cc1CN1C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C1)CCC2 1529100646 VHAOBQMSLHQWCS-YLJYHZDGSA-N 355.482 2.641 0 50 FFAA CCOc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 212485941 VLWDNGYJLDKLMX-WBVHZDCISA-N 357.454 2.950 0 50 FFAA O=C(O)c1c(NC[C@@H](O)CN2CCCCCC2)noc1-c1ccccc1 1704328708 NOPZSPORCKPYRJ-OAHLLOKOSA-N 359.426 2.689 0 50 FFAA COc1cccc2c1C1(CCN(c3cccc(C(=O)O)n3)CC1)OCC2 1704303643 MYSYTJQMIQZGSP-UHFFFAOYSA-N 354.406 2.857 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)Cc2ccccc2C)C[C@@H]1c1ccc(C)cc1 222212888 OCULRWVUJVOVGF-RTWAWAEBSA-N 350.462 2.977 0 50 FFAA Cc1ccc2c(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)cnn2c1 1772703357 ZUIGUZNEIKSUGI-UHFFFAOYSA-N 360.417 2.769 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c2c(C)noc2n1 1775977885 KLMSTQFCXNGVRZ-LJQANCHMSA-N 351.410 2.683 0 50 FFAA COC(=O)CCCC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12074484 AJABEVWVWXDGNY-HNNXBMFYSA-N 373.371 2.819 0 50 FFAA O=C(NCc1ccccn1)[C@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 12075426 CHXWIMJTRIFXRS-SFHVURJKSA-N 370.541 2.817 0 50 FFAA COc1ccc([C@@H](CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)cc1 12298280 RRGQRJLKSGAHGS-FQEVSTJZSA-N 366.461 2.941 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cn(C2CCCCC2)nn1 14962865 CPIVILUZSWFSNR-UHFFFAOYSA-N 364.453 2.958 0 50 FFAA COc1ccc(C[C@@]2(CCC(=O)NCCc3ccco3)CCC(=O)N2)cc1 15067302 HYJJYETYCNCTDD-OAQYLSRUSA-N 370.449 2.619 0 50 FFAA COC(=O)C[C@@H](c1ccsc1)c1c(O)n2cc(Cl)ccc2nc1=O 205974889 YPQLDMLVLCRIRO-NSHDSACASA-N 364.810 2.810 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)O1 1857667942 RQTFMRVIQKWCEA-VQIMIIECSA-N 371.481 2.744 0 50 FFAA CC1(C)COc2c(CN3C[C@@H]4CCOC[C@]4(CO)C3)cc(Cl)cc21 1857669850 OJRXXDRQXRKXRC-IFXJQAMLSA-N 351.874 2.841 0 50 FFAA c1cnc(N2CCC(C3CCN(CCCn4cccn4)CC3)CC2)nc1 1857710085 HBJCXMZKFBINNI-UHFFFAOYSA-N 354.502 2.692 0 50 FFAA Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1 1857710793 QCUHVCVGAKWEIY-SVFBPWRDSA-N 366.461 2.704 0 50 FFAA CCOc1ccc(OCc2nc([C@H]3CC[C@@H](OC)[C@H](N)C3)n(CC)n2)cc1 1857715876 MKHUDTJWLBPOKR-BMGDILEWSA-N 374.485 2.886 0 50 FFAA CN(C)S(=O)(=O)CCCN1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1857739671 ZXQKHMSSGYWMLH-ZWKOTPCHSA-N 368.543 2.756 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 237639193 WLBAENZXMBPKIL-HNNXBMFYSA-N 352.228 2.804 0 50 FFAA CCc1nc([C@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cs1 153073605 RUKOUEHSKBNLDE-KBPBESRZSA-N 374.514 2.867 0 50 FFAA CN(C(=O)CN1CCCC1=O)[C@@H](c1cccnc1)c1ccc(F)cc1F 363621592 FJKDAPKINDTADQ-IBGZPJMESA-N 359.376 2.530 0 50 FFAA CC(C)c1nc(CCNC(=O)N2CCOC3(CCOCC3)CC2)cs1 368633491 LTSPQQHGRNJIGO-UHFFFAOYSA-N 367.515 2.790 0 50 FFAA Cn1nnc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)n1 486755582 QJCJTZANYNVHAO-UHFFFAOYSA-N 361.764 2.725 0 50 FFAA Cc1nc(-c2ccncc2)nc(N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1C 872647142 BNMMVQKTXNLCSU-IRXDYDNUSA-N 370.453 2.512 0 50 FFAA NC(=O)NC[C@H]1CCN(c2ncnc3sc(-c4ccccc4)cc23)C1 1875257047 MJTQTBRXNYTSLV-GFCCVEGCSA-N 353.451 2.853 0 50 FFAA C[C@H](C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2)c1cnccn1 1875270715 ATJSOGGLXSDBCL-ZDUSSCGKSA-N 368.437 2.990 0 50 FFAA CN1CC[C@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)C[C@H]2C1 1875259854 NCHFLDUSIIRHFV-QWHCGFSZSA-N 362.271 2.954 0 50 FFAA Cc1nn[nH]c1C(=O)N[C@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 1875333474 XBBTXOTUZJFBNL-MRXNPFEDSA-N 350.378 2.726 0 50 FFAA C=CC(=O)NCC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 1875303115 WNSINHVBJJSJKL-AWEZNQCLSA-N 370.371 2.686 0 50 FFAA CN1CCCN(c2ccc(NC(=O)[C@H](N)Cc3cccs3)cc2)C1=O 1875318379 HZGXXUICXOCQPV-MRXNPFEDSA-N 358.467 2.519 0 50 FFAA O=C(N[C@H]1[C@H]2CC[C@@H]1C[C@H](CO)C2)c1sc(N2CCCC2)nc1Cl 1875321671 QVVZQPHJCNTONE-MPZDIEGVSA-N 369.918 2.924 0 50 FFAA COC(=O)[C@H]1C[C@@H](NC(=O)NCc2ccc3c(c2)cc(C)n3C)C1(C)C 1875344955 PTDJTIOAOUOOME-NVXWUHKLSA-N 357.454 2.874 0 50 FFAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)N1CCCc2c(cnn2C)C1 1875395628 HDSXSUUXDBRMBT-PAXLWEDBSA-N 367.497 2.840 0 50 FFAA COC(=O)c1ccc(Cn2c(Cc3ccc(F)cc3)noc2=O)cc1F 1875317725 ASJUQKBOQDCWAT-UHFFFAOYSA-N 360.316 2.540 0 50 FFAA O=C(NC1([C@@H]2CCCN2C(=O)c2ccco2)CC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875406457 DWMILMBAARRDCX-BONHGPHZSA-N 354.450 2.825 0 50 FFAA CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S 1185261 DVEVBWVXIYOKRB-INIZCTEOSA-N 371.437 2.782 0 50 FFAA CCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1 4577409 XKDLIQZTDLCGLH-UHFFFAOYSA-N 355.413 2.856 0 50 FFAA Cc1nc(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)cc(-c2ccccc2)c1C 2100556932 VYOCGLXSWYTYHU-INIZCTEOSA-N 366.421 2.586 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2)C1)[C@H]1NCCc2c1ccc(F)c2F 2325829447 KGPUGOPBPAQRDU-XOBRGWDASA-N 371.431 2.937 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](F)C3CCCCC3)C2)n[nH]1 2325843128 WFHNGXFVYDSGDE-RHSMWYFYSA-N 364.465 2.782 0 50 FFAA Cc1cccc(CN(C)CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 2325866989 HDXMXKZRLLPLAI-GOSISDBHSA-N 351.450 2.669 0 50 FFAA CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2ccc(C)nc21 780920 JGUVITUCGXIIOU-UHFFFAOYSA-N 351.406 2.663 0 50 FFAA Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1 987709 UZOANRZPVQIWRV-QGZVFWFLSA-N 350.422 2.907 0 50 FFAA CCOc1cc([C@@H]2NC(=O)N(CC)C(C)=C2C(=O)OC)c(Cl)cc1O 1146988 NYQLXCBWUGRONF-HNNXBMFYSA-N 368.817 2.978 0 50 FFAA O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 2879891 YRIJNBMCZCJELM-MRXNPFEDSA-N 354.362 2.755 0 50 FFAA CC[C@@H](C(=O)N1CCC2(CC1)OCCc1cccc(OC)c12)n1cccn1 2356162282 GBPLGONJQOSIMF-KRWDZBQOSA-N 369.465 2.933 0 50 FFAA CC1(C)CC(N2CC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1 4872653 KHPROHXRPXNDEQ-UHFFFAOYSA-N 364.578 2.707 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)N1CCO[C@@H](c2nccs2)C1 111839508 MQVFMNXUTZNKDX-MRXNPFEDSA-N 369.450 2.612 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C(=O)NCCN3C)c(Cl)c1Cl 67642042 LCSGTZKTXQRUBR-UHFFFAOYSA-N 356.297 2.698 0 50 FFAA O=C(c1cn(C2CCN(Cc3ccc(F)cc3)CC2)nn1)N1CCCCC1 20272076 COPWDIBMIPAWGW-UHFFFAOYSA-N 371.460 2.880 0 50 FFAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1 63871239 JAORIDWGQBTIAA-CYBMUJFWSA-N 359.455 2.536 0 50 FFAA O=C(c1ccccc1)[C@@H]1CCCN(c2nccc(N3CCC(O)CC3)n2)C1 65394513 OBVMLAHSTZCTTB-QGZVFWFLSA-N 366.465 2.537 0 50 FFAA O=C(NCc1ccccc1OCC1CC1)N1CCOC2(CCOCC2)C1 120583545 DBSOSSZVPKFBRT-UHFFFAOYSA-N 360.454 2.566 0 50 FFAA CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 252253137 MHUKLNNNZPUOIQ-MJGOQNOKSA-N 373.497 2.889 0 50 FFAA COC(=O)Nc1ccc(C(=O)NC[C@](C)(CO)Cc2ccccc2)cc1 252492524 MOMIEDRGJUMSKH-HXUWFJFHSA-N 356.422 2.836 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N[C@H]1CCCN(c3ncccn3)C1)C2 252677977 BYOYLOKCMRZMAH-ULMVMLMRSA-N 357.502 2.959 0 50 FFAA Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)no1 72157863 IOFTWSBASHVOSP-GJZGRUSLSA-N 364.409 2.598 0 50 FFAA O=C(OC[C@H]1CO[C@@H](c2coc3ccccc3c2=O)O1)c1ccccc1O 4783885 DZTCQOVWNUHUJE-FKIZINRSSA-N 368.341 2.770 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(C(C)C)n2ncnc2n1 216173025 PGQBSYBZUDJNBA-AWEZNQCLSA-N 354.414 2.830 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccc(SCCO)cc2)CC1 77486700 MVXUEYJZFBQQAQ-UHFFFAOYSA-N 371.506 2.827 0 50 FFAA CCn1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c(C)n1 5674723 COILTKUDUJXCFZ-MRXNPFEDSA-N 355.467 2.643 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cccc(OC)c2)CC1 77406810 FWDFDDJMYBVCOL-IBGZPJMESA-N 374.481 2.634 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3ccc(C)c(F)c3)nn2)n1 72117675 NIQDXTYHFGZDEC-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCO[C@H]1CN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)C[C@@H]1O 218944298 DMHGRLJQDURVRN-ROUUACIJSA-N 355.413 2.722 0 50 FFAA CNc1cc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)ccn1 72420338 AJKULBCNDRSCTK-UHFFFAOYSA-N 352.482 2.902 0 50 FFAA Cc1nc(CN(C)Cc2cc3n(n2)CCCN(C[C@H]2CC=CCC2)C3)no1 72158872 UDUDYDYREJDJER-KRWDZBQOSA-N 370.501 2.769 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(Cc3cnc(N(C)C)nc3)CC2)OC1=O 72408659 YPHPNQITNWKQSK-OAHLLOKOSA-N 361.490 2.518 0 50 FFAA CCc1nc(C)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)o1 72149537 VJZIWYAYFSKSKR-SFHVURJKSA-N 353.466 2.861 0 50 FFAA O=C1COc2ncc(C(=O)N3CCC[C@@H]3CCc3ccccc3)cc2N1 378375464 YIQXMILRNCLRFW-MRXNPFEDSA-N 351.406 2.650 0 50 FFAA O=C(c1cc(-c2ccncc2)on1)N1CC[C@](O)(c2ccc(F)cc2)C1 375016604 FYAFSZHJHAVSSF-LJQANCHMSA-N 353.353 2.609 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)no1 223199361 LWLVILVOGAQYID-QGZVFWFLSA-N 352.394 2.829 0 50 FFAA Cc1c(NC(=O)NC[C@@H](c2ccco2)N(C)C)cccc1N1CCOC1=O 174553508 FAGKFGKMWHLTEM-INIZCTEOSA-N 372.425 2.969 0 50 FFAA COc1ccccc1CCC(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 223634796 YONUHEVDBHNOAG-LJQANCHMSA-N 353.466 2.804 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)C1(c2ccccc2)CC1 223386254 FMNVRLPZHMQXCJ-WOJBJXKFSA-N 367.445 2.563 0 50 FFAA COc1ccc(C(=O)N[C@@H](C)c2cc(F)cc(F)c2)c(OCCN)c1 426536266 JUIAJWYMTYUDOE-NSHDSACASA-N 350.365 2.802 0 50 FFAA CNC[C@H]1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 179028111 NTFLAAPMMDEVMG-GFCCVEGCSA-N 352.360 2.573 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)on1 92045779 SHBPMVCJDCJFCJ-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA COc1ncc(C(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cn1 91644846 VHOFJCTVSXXBTI-SNVBAGLBSA-N 373.363 2.749 0 50 FFAA COCCN1C[C@@H](NC(=O)Nc2ccccc2Cc2ccccc2)CC1=O 97675559 OZTTXGPDBDRALL-SFHVURJKSA-N 367.449 2.646 0 50 FFAA COc1ccnc(N2CCC(c3nccn3Cc3cscn3)CC2)n1 91657091 BRINNZQMAUKBOQ-UHFFFAOYSA-N 356.455 2.571 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3sccc3C)C2)CC1 96416647 KMSHCJCRAFEJFD-MRXNPFEDSA-N 351.516 2.795 0 50 FFAA CCCN1C[C@H](NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2C)CC1=O 97294740 OWQCWRSYXJNSLU-MRXNPFEDSA-N 374.485 2.609 0 50 FFAA Cc1ccc(SCCNC(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)cc1 97653960 AANAJJLEOGUPGG-OAHLLOKOSA-N 370.474 2.962 0 50 FFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)Nc1cccc(C(=O)NC)c1C 97634955 QDQLLFCMJIBJTP-AWEZNQCLSA-N 359.426 2.753 0 50 FFAA O=C(c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1)N1CCCC1 91475114 NLPJSVGVBFQQQV-UHFFFAOYSA-N 356.447 2.627 0 50 FFAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)N1CCC[C@@H]1C(N)=O 95529843 ZOFIXOLRYWVXTC-OAHLLOKOSA-N 355.442 2.787 0 50 FFAA Cc1cc(N2CCC(NC[C@@H]3CCCCO3)CC2)nc(N2CCCC2)n1 95375305 DHXRYQMZBNISTF-SFHVURJKSA-N 359.518 2.513 0 50 FFAA COc1nc2c(cc1C(=O)NCCOc1cccc3cccnc13)CCC2 91724574 IIEVSNBXTWYSIG-UHFFFAOYSA-N 363.417 2.936 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1cnc(-c2cccs2)nc1O 91808462 YUVYYAVWIVETJW-UHFFFAOYSA-N 357.439 2.697 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 239433217 XJEFGTNFHAWRLF-YTBPQBKGSA-N 355.434 2.873 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 91460113 VMUPLTXJSUSSIK-NRFANRHFSA-N 372.513 2.512 0 50 FFAA COc1ccccc1-n1cc(C(=O)N[C@H](CO)CC2CCCCC2)cn1 92061996 VRCBRGGWHIFWIV-KRWDZBQOSA-N 357.454 2.942 0 50 FFAA CCn1ncc(C(=O)N[C@@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)c1C 244778585 PTGCFOCPGODNDB-IYOUNJFTSA-N 361.417 2.601 0 50 FFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(c2ccnn2CCO)CC1 181915743 YOLLXIHBACTOSM-HNNXBMFYSA-N 359.445 2.599 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(O)c2cccc(F)c2n1 253535335 UIAVMWHPESVTAT-FTLABTOESA-N 367.380 2.717 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc3c(Cl)cccc3[nH]2)C1 252569131 WCBAWICNBFIYGG-XYPYZODXSA-N 373.844 2.601 0 50 FFAA CN1C[C@H](CN(C)C(=O)c2cccc(-c3cnc(N)c(Cl)c3)c2)CC1=O 534635239 CEBGKDVAAXSQND-GFCCVEGCSA-N 372.856 2.535 0 50 FFAA O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 299762250 SMKOUFTZFOQBDQ-SFHVURJKSA-N 368.433 2.658 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(C)nc4onc(C)c34)[C@H]2C1 299786966 YIUKKRQWLANGPF-FRIZHTMISA-N 359.426 2.638 0 50 FFAA Cn1cnc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc21 299797428 AIWJMUPQXCSWJP-UHFFFAOYSA-N 356.455 2.952 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCN(Cc3ncccc3C)CC2)N(C)C)c1 823646276 CGYDNGPXVYHPRE-OAQYLSRUSA-N 366.509 2.646 0 50 FFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc(-c2cc[nH]n2)oc1C 823086824 PWLRPJAPCQETBH-CYBMUJFWSA-N 353.444 2.558 0 50 FFAA C[C@@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1nc(C2CC2)no1 584888475 JWKQHNGNXLNVCE-CYBMUJFWSA-N 371.441 2.794 0 50 FFAA Cc1cnn(CCC(=O)N2CCN(c3nsc4ccccc34)CC2)c1 670443357 VTMOWHQCTNGADU-UHFFFAOYSA-N 355.467 2.540 0 50 FFAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cn(CCc2ccccc2)nn1 1565506506 JCWZTBPFANKSBM-QUCCMNQESA-N 367.497 2.515 0 50 FFAA CC(C)C1=NO[C@H](C(=O)N2CCN(c3nsc4ccccc34)CC2)C1 952872059 HMXYANJJWCHEMJ-HNNXBMFYSA-N 358.467 2.746 0 50 FFAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1C[C@H](O)[C@@H](N2CCCC2)C1 952974291 BLFNCQKYCFEYMW-PMACEKPBSA-N 354.425 2.774 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 952973683 LYPMOXIJWYKLIS-FQEVSTJZSA-N 365.477 2.968 0 50 FFAA COc1cc2nc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)nc(N)c2cc1OC 301831908 SZYPLYBIDDVONG-AMKSKSKJSA-N 356.426 2.599 0 50 FFAA Cn1c(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)nnc1C1CC1 277829070 RBPKWVHAWMXZGZ-NSHDSACASA-N 354.380 2.814 0 50 FFAA CCc1nc(C2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)n[nH]1 190645065 FPVLJCVNLXJZIV-KRWDZBQOSA-N 358.486 2.603 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]12 1704339554 MBSGTMSSHZOJTN-PBHICJAKSA-N 370.371 2.717 0 50 FFAA CC(C)c1ccc(-n2cc(CN3C[C@@H]4COCC[C@]4(CO)C3)cn2)cc1 1772707783 YPUHAJDIERJHDL-TZIWHRDSSA-N 355.482 2.827 0 50 FFAA CCOc1ccccc1OCCN1CC(=O)N[C@@H](Cc2ccccc2)C1 1772711515 ZTJMXYVPKNPDEN-SFHVURJKSA-N 354.450 2.507 0 50 FFAA COc1ccc(Cc2cc(C(=O)NC[C@@H](C)Oc3cccnc3)on2)cc1 12148963 IJRULDKVGMHPPL-CQSZACIVSA-N 367.405 2.866 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CC[C@H](C2CCN(CC(C)C)CC2)C1 12305945 BLHDKLWYEMVHFI-SFHVURJKSA-N 369.513 2.868 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1cc2ccccc2oc1=O 12597495 IPTOSFLJZSZCSV-MRXNPFEDSA-N 368.433 2.704 0 50 FFAA CC(C)CN1C(=O)N(C)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O 14744797 URNZKWIOBUWNIG-UHFFFAOYSA-N 355.482 2.538 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)C1(c2ccccc2F)CC1 19148234 SPZGGQIUKUZRKK-INIZCTEOSA-N 369.440 2.530 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1 19210253 VZIMQHSIZGZKMF-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA O=C(NC1CCCC1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 169769975 WHPYUJDGJJHGMB-SFHVURJKSA-N 355.394 2.556 0 50 FFAA CC(C)C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1nnc2ccccn12 206229330 DDEWRVVNGUKEFI-OAHLLOKOSA-N 352.442 2.848 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)NCCc4cccnc4)CC3)nc2n1 1857729458 BTKJXGPBATVTIF-UHFFFAOYSA-N 365.437 2.502 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(C)cc3C)CC2)C[C@H]1N 1857736317 JMDMCUDOTKXOEA-QKNQBKEWSA-N 373.541 2.875 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 222159363 MYFOHYRLJGVFAO-MJGOQNOKSA-N 365.481 2.760 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 122743626 DBUPVBCRYQFTNT-WDEREUQCSA-N 353.300 2.729 0 50 FFAA Cn1nncc1S(=O)(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 330055493 UMTZKMFWJJRGTQ-LBPRGKRZSA-N 361.254 2.648 0 50 FFAA O=C(O)[C@H]1CC[C@@H](C(=O)N(Cc2ccncc2)Cc2ccc(O)cc2)C1 247434201 VGEQYRBGCMOPAS-SJORKVTESA-N 354.406 2.817 0 50 FFAA O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)CC2CCCC2)nn1 19148678 DAENOGZXVHOGIQ-QGZVFWFLSA-N 373.501 2.522 0 50 FFAA CC1(C)C[C@@H](NC(=O)c2cccc(-n3cncn3)n2)c2ccc(F)cc2O1 830436577 BXMXABRADRGCGV-OAHLLOKOSA-N 367.384 2.834 0 50 FFAA O=C(CCc1ccsc1)N1CC[C@@H]2CN(c3ncccn3)C[C@@H]2CC1 1875330480 ZECSADCTADZCQB-CALCHBBNSA-N 356.495 2.846 0 50 FFAA COC(=O)c1ccc([C@@H](O)Cn2cnc3cccc(Cl)c3c2=O)cc1 1875320676 UUEPDROLDIYXND-HNNXBMFYSA-N 358.781 2.570 0 50 FFAA Cc1nc2c(NC[C@H]3CCN(C(=O)[C@H]4C[C@@H]5C[C@@H]5C4)C3)ncnc2s1 1875331784 CLLDSKJXEXEAEC-YIYPIFLZSA-N 357.483 2.701 0 50 FFAA Cn1cc(CN2CCC[C@@H](NC(=O)c3cccc(Cl)c3Cl)C2)nn1 1875302919 NLHXNNVTUZUQBU-LLVKDONJSA-N 368.268 2.516 0 50 FFAA COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1 4708085 BKGLRAAQGFAGKT-AWEZNQCLSA-N 374.400 2.669 0 50 FFAA CC[C@@H](C)n1cnc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)O)c1 2325739321 PFBDJRFXTHKVGS-GFCCVEGCSA-N 351.428 2.970 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H](F)C3CCCCC3)C2)n[nH]1 2325842958 NWDJUKKIRHGHEG-PBHICJAKSA-N 364.465 2.782 0 50 FFAA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2C)cc1 645611 AWKUYZZKZMEBNM-UHFFFAOYSA-N 361.419 2.971 0 50 FFAA COc1ccc(-c2cc(C(F)(F)F)nc(SCC(N)=O)n2)cc1OC 1071053 QEPPBTWFKXKLMV-UHFFFAOYSA-N 373.356 2.757 0 50 FFAA CCOc1cc(CN(CCCN(C)C)CCCN(C)C)ccc1OC 4988229 QXZDQLISCJWVML-UHFFFAOYSA-N 351.535 2.799 0 50 FFAA O=S(=O)(NCCCN1CCCCC1)c1ccc(Br)s1 7709767 NFYDOHYQFTXRDI-UHFFFAOYSA-N 367.334 2.665 0 50 FFAA CC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)CCCC(=O)O 27647278 ZZMKOZNTEJVKRY-WEPIRXTBSA-N 350.455 2.905 0 50 FFAA in-vitro COc1ccccc1-n1nc(CC(C)C)nc1[C@@H]1CCCN(C(N)=O)C1 65495737 JJYVVYOUFRZVMC-CQSZACIVSA-N 357.458 2.733 0 50 FFAA CCC[C@H]1COCCN1C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67947924 XSUFTFPJZXYDSM-ZDUSSCGKSA-N 374.393 2.623 0 50 FFAA CN(CC1CC1)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 67802966 SWSQYPMAHNYDOW-UHFFFAOYSA-N 372.444 2.618 0 50 FFAA N=C(O)N1CCC[C@H]1C(=O)N1CC(OCc2cccc3ccccc23)C1 330171298 FHJNWBACUYIORF-SFHVURJKSA-N 353.422 2.524 0 50 FFAA Cc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1 21726234 MHGLYVMJIOUONC-HNNXBMFYSA-N 373.420 2.709 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3ccncc3)C2=O)cc1 67541825 ABJYNPPNFAUHLR-JOCHJYFZSA-N 367.493 2.848 0 50 FFAA CCOC(=O)c1cn2cc(Br)nc(N3CCCCC3)c2n1 34247737 YWUBBSDAJQIKEY-UHFFFAOYSA-N 353.220 2.659 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCOc3ccc(Cl)cc3C2)nc(N)n1 216532288 VQIIBAQRSHLMFS-UHFFFAOYSA-N 360.845 2.946 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)F)c(Cl)c1C 2776693 KJJTZHVDGSRGQW-UHFFFAOYSA-N 359.808 2.791 0 50 FFAA Cc1ncnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1C 72431802 LZQOJOYNLHXCKV-NRFANRHFSA-N 365.481 2.898 0 50 FFAA COc1ccc(CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1C 72447296 NOWFVPDIPGFWFK-QGZVFWFLSA-N 357.502 2.573 0 50 FFAA O=C1CCc2cc(OCC(=O)N3CCOCc4ccccc43)ccc2N1 329960451 RDDOEDZMUFYGMP-UHFFFAOYSA-N 352.390 2.514 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 154244514 SBTNRHMDHYAAIL-SKLAPFLYSA-N 364.490 2.869 0 50 FFAA CN1CCC2(CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)C1=O 365657599 IRUFEDDVISKESL-UHFFFAOYSA-N 371.359 2.903 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c(F)c1 39430726 OVIKKSALAFRZGC-LJQANCHMSA-N 358.457 2.903 0 50 FFAA Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333531058 QARCMOVFACELTQ-YOEHRIQHSA-N 355.442 2.736 0 50 FFAA C[C@@H](Sc1nnc(Cn2cncn2)o1)C(=O)c1c[nH]c2ccccc12 126091948 DIPPJJYGAPFCDS-SNVBAGLBSA-N 354.395 2.554 0 50 FFAA NC(=O)N1CCC[C@H]1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 71748653 YRVKKKFJOILNBS-IBGZPJMESA-N 368.481 2.986 0 50 FFAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)c2cccnc2O1 158820940 NHRRFPRLVFETQE-LBPRGKRZSA-N 355.369 2.775 0 50 FFAA CCc1cccc2c(C3CCN(C[C@H](O)CN4CCOCC4)CC3)c[nH]c12 129048620 FUSBALZPPUHYQC-IBGZPJMESA-N 371.525 2.603 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@](C)(C(=O)O)C1 237768661 WDABVDQIAOMZIJ-KRWDZBQOSA-N 365.792 2.910 0 50 FFAA CCc1cc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)nc(N(C)C)n1 77419480 IYFSNMOVBSNLSW-FQEVSTJZSA-N 359.518 2.722 0 50 FFAA Cc1ccc(CC(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1F 72148859 HTOPAGDRKSVLSH-RTWAWAEBSA-N 368.452 2.530 0 50 FFAA Cc1cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c2c(C)nn(C)c2n1 216212826 AGNFOBORKIHNLI-UHFFFAOYSA-N 364.453 2.730 0 50 FFAA Cc1ncc(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 71498414 PHRYFMTYTPKWRA-AWEZNQCLSA-N 351.328 2.855 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)c(O)n1 285602898 URIZEXWVJSECDG-INIZCTEOSA-N 356.422 2.794 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 72477817 SUVKLYMVOSVXAV-CQSZACIVSA-N 358.417 2.979 0 50 FFAA c1ccc2c(c1)CCO[C@H]2CNc1nc(C2CC2)nc2c1CCNCC2 72435161 LMHSZHAPGZUSOG-IBGZPJMESA-N 350.466 2.768 0 50 FFAA CO[C@H](C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1)c1ccccc1 77535456 TULXUWLDTDATPV-FQEVSTJZSA-N 352.434 2.554 0 50 FFAA COc1ccc2c(c1)[C@H](NC(=O)c1n[nH]c(N)c1Cl)CC(C)(C)O2 223951421 PAXHZXKPUHJXMH-SNVBAGLBSA-N 350.806 2.686 0 50 FFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(NC(=O)Cc3ccc(Cl)cc3)C(=O)[C@@H]21 225585868 CXCGQKOAIMBUMY-KNCCTNLNSA-N 372.852 2.891 0 50 FFAA Cc1nn(CCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c1Br 17075545 FXHAEAFHLPHOJS-BETUJISGSA-N 368.275 2.828 0 50 FFAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCN1CCOCC1 20312044 AUVWVXUGTCWBQH-KRWDZBQOSA-N 354.450 2.569 0 50 FFAA CCOC(=O)c1ccc(-c2ccc(C(=O)N3CCN[C@H](C)C3)cc2)cc1 426496955 PYHJDXJGIOLYQN-OAHLLOKOSA-N 352.434 2.964 0 50 FFAA O=C(NCCC1CCN(C2CCCC2)CC1)N[C@H](CO)Cc1ccccc1 426487438 PRUQGSFGORBAKX-FQEVSTJZSA-N 373.541 2.934 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)N[C@@H](c1ccccn1)C(F)(F)F 426438598 JSWYLIBGWSTTPT-AWEZNQCLSA-N 355.364 2.909 0 50 FFAA COCCN1C[C@@H](c2ncnn2-c2ccc(Cl)cc2Cl)CC1=O 95386491 XSNFYVSPZBLGIU-JTQLQIEISA-N 355.225 2.536 0 50 FFAA O=C(c1ccc(-c2cncnc2)cc1)N1CCCN(Cc2ccccn2)CC1 426522850 HROSIZVWUBEBKT-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(C/C=C/c2ccccc2)CC1 92107799 QSZKLFFGYYMEMN-VMPITWQZSA-N 362.481 2.953 0 50 FFAA CCN(C)C(=O)CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 95359555 CNSNCAOSFPJLCO-IBGZPJMESA-N 371.525 2.583 0 50 FFAA Cc1c(CNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)oc2ccccc12 95527474 HHRQQTLKDKKXFV-INIZCTEOSA-N 363.417 2.801 0 50 FFAA O=C(NCc1ccnc(O[C@H]2CCOC2)c1)c1csc(-c2ccoc2)n1 162948951 QQNIJXRJWRSVQB-AWEZNQCLSA-N 371.418 2.896 0 50 FFAA O=C(C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2)c1ccccc1 91645103 GFUVJSZEKGVDEO-LAUBAEHRSA-N 374.484 2.960 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCOC[C@H]2C)cc1 239869316 CYFJCCQTAADXIE-IXDOHACOSA-N 374.481 2.716 0 50 FFAA O=C(O)[C@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H]2C=C[C@H]1O2 239030653 CDXZRWCETYMXEM-DDHJBXDOSA-N 361.703 2.952 0 50 FFAA O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 95383654 HDOLYAIKSFBUFM-CYBMUJFWSA-N 356.401 2.823 0 50 FFAA CCCn1ncc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1C 244690969 JAFFQZRBLNJHQE-QKLQHJQFSA-N 369.465 2.778 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)COc2cccc3c2ccn3C)c1 252501091 UCJGTNQRRGMXIH-UHFFFAOYSA-N 367.405 2.564 0 50 FFAA Cc1oc(CN(C)C(=O)c2cc(N3CCCC3=O)ccc2F)cc1C(=O)O 299747370 CWFDWBUGUDSYCO-UHFFFAOYSA-N 374.368 2.824 0 50 FFAA CCOc1ccc(-c2cccc(C(=O)NCCc3nnc(C)s3)c2)nn1 534582561 KTBQTTILNHWCTN-UHFFFAOYSA-N 369.450 2.675 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(-n3ccnc3)c(Cl)c1)C2 299802893 XUKPLHRCXLNYLU-OCCSQVGLSA-N 373.844 2.610 0 50 FFAA CCC(=O)Nc1cc(NC(=O)N2CCC3(CCN(C)CC3)C2)ccc1OC 299758398 PIMJWAWVIJGRSY-UHFFFAOYSA-N 374.485 2.993 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)c1onc2c1CCCC2 1330806739 VJVNUKTXJXYDDH-HNNXBMFYSA-N 353.422 2.588 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 1565509109 WHDNPYHFJJYQOD-QUCCMNQESA-N 365.477 2.843 0 50 FFAA O=C(N[C@H]1CCCOc2ccccc21)[C@@H]1CCCN(c2cnccn2)C1 170608405 SMPOQQXJYXBVPX-WBVHZDCISA-N 352.438 2.723 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)CCc2c(C)noc2C)C[C@@H]1c1ccc(C)cc1 221991587 KBTWJXVFNIXOLK-UXHICEINSA-N 369.465 2.663 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(Cc3cc(C#N)n(C)c3C)CC[C@@H]21 221956943 DDXSTURULZREFK-APWZRJJASA-N 374.554 2.771 0 50 FFAA c1cc(Cc2nnc(NCC3(N4CCOCC4)CCCCCC3)o2)ccn1 1772709362 OVKXTOSCEQMFGY-UHFFFAOYSA-N 371.485 2.893 0 50 FFAA O=C(CCC1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1)NC1CC1 12089801 BSDOTLIOOMRPCU-GOSISDBHSA-N 354.450 2.654 0 50 FFAA COC(=O)CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 12298076 GWTMATDGFTZPQG-INIZCTEOSA-N 355.390 2.569 0 50 FFAA Fc1ccccc1Cn1cnc(NC(=S)NCCc2ccccc2)n1 13519584 ZVINMGCNZBSOHC-UHFFFAOYSA-N 355.442 2.995 0 50 FFAA COc1ccc(CN2CCN(c3ccncc3C)CC2)c(OC)c1OC 19145890 RDGYLIREHYIDPC-UHFFFAOYSA-N 357.454 2.738 0 50 FFAA Cc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c1 19772690 OQBBNHJNPTXYBN-OAQYLSRUSA-N 354.494 2.861 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3cccc(Cl)c3)nn2)n1 19924246 FSJJHTKTKHZKCE-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA CN1CCC(C)(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)CC1 1857674439 IHGCVZKMZAOKLH-JQVVWYNYSA-N 356.510 2.703 0 50 FFAA CNC(=O)Cc1nc(-c2cnc(C)cc2C)n(Cc2cccc(Cl)c2)n1 1857678227 JATQYDGZFMGCCX-UHFFFAOYSA-N 369.856 2.947 0 50 FFAA COc1cc2c(cc1CN1CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]14)CCC2 1857720233 KIYOJDDRCLHCPQ-DWLFOUALSA-N 370.493 2.742 0 50 FFAA CCCCCc1nc([C@@H]2CN(C)CCO2)n(-c2cnc3ccccc3n2)n1 1857736149 NGOQYQPEIFSJGY-KRWDZBQOSA-N 366.469 2.946 0 50 FFAA Cc1ccc(OCc2ccc(C(=O)N3CCNC(=O)C3(C)C)o2)c(C)c1 110708110 YUSFHYHBCOPPNP-UHFFFAOYSA-N 356.422 2.826 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 237986748 LETGPIJCXPVMFK-MRXNPFEDSA-N 358.438 2.602 0 50 FFAA O=C(O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 238026934 GSPSFIRDDMQGAD-UONOGXRCSA-N 352.228 2.876 0 50 FFAA Cc1ccccc1CCNC(=O)COc1ccc(-c2ncn(C)n2)cc1 241316689 LUAXQLMAWOWSIK-UHFFFAOYSA-N 350.422 2.528 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3c[nH]c(C)n3)C2)cc1OC 19228083 MZBVIAAVHXRPNU-LJQANCHMSA-N 372.513 2.874 0 50 FFAA COc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@H](C2CCC2)C1 366481667 LCPRMGAPJXQCIF-MRXNPFEDSA-N 355.438 2.770 0 50 FFAA O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCN(Cc2ccccn2)CC1 160319746 VDBHJMDXYCAAEG-OAQYLSRUSA-N 364.493 2.930 0 50 FFAA O=C(NCc1c(F)cc(F)cc1F)N1CCC[C@@H](N2CCCC2=O)CC1 840379973 QUFWPCALYMVPTQ-CYBMUJFWSA-N 369.387 2.790 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)[C@]1(C2CC2)CCCO1 1875330689 YATPVXRRRCHKHH-SFHLNBCPSA-N 357.450 2.869 0 50 FFAA O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCNC[C@@H](CO)C1 1875304330 HIRPQFYOUYCTQS-JOCHJYFZSA-N 366.505 2.518 0 50 FFAA CN(C)[C@H](C(=O)Nc1ccc(Oc2cccnn2)cc1)c1cscn1 1875321210 YTOOWXUSGCZJCQ-INIZCTEOSA-N 355.423 2.967 0 50 FFAA O=C(CCc1cc2ccccc2o1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402487 HSJUCNUUOOWNQZ-ZTFGCOKTSA-N 353.422 2.518 0 50 FFAA CCn1nnc(C)c1CN[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)C2)C12CCC2 1875408214 QSKAHXDPBPRHEO-SIUPPRGNSA-N 359.518 2.560 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cccc(Cl)c2F)C1 888076853 MVEBAWMVQJXRDH-BMFZPTHFSA-N 354.853 2.780 0 50 FFAA O=C(c1ccc(Cn2ccnn2)cc1)N1CCCN[C@@H](c2ccccc2)C1 2325783227 FQMBISKCZQVIJO-HXUWFJFHSA-N 361.449 2.503 0 50 FFAA O=C(Cc1cc(-c2ccccc2Cl)on1)N1CCN(c2ncc[nH]2)CC1 2325799318 MOMHZCTUVYHVAO-UHFFFAOYSA-N 371.828 2.609 0 50 FFAA CC1(C)C[C@H](C(F)F)CN1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 2325807379 WAOCGHHFFCADLZ-VHSXEESVSA-N 371.350 2.615 0 50 FFAA CC(=O)CCCC(=O)N1CCN(C(=O)c2cc(C)cc(Cl)c2)CC1 2325868075 NYNQIHOQPNVUOH-UHFFFAOYSA-N 350.846 2.692 0 50 FFAA O=C(CC1CC1)NC[C@@H]1CCCCN(C(=O)Cc2cc(C3CC3)on2)C1 2325868417 YYNRNTLHRSVHRI-HNNXBMFYSA-N 359.470 2.640 0 50 FFAA CC1(C(=O)NCc2ccc3c(c2)OCO3)COC(c2ccccc2)OC1 643491 XAQCTAMZLKQYAN-UHFFFAOYSA-N 355.390 2.783 0 50 FFAA COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1Cl 687745 WNZLUMDVARCIPF-UHFFFAOYSA-N 374.890 2.881 0 50 FFAA COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1Cl 1065547 JZLOXMROVHLXMS-UHFFFAOYSA-N 355.799 2.556 0 50 FFAA COc1ccc(OC)c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1 2228236 IOVOZGOXHDNSFR-UHFFFAOYSA-N 373.478 2.928 0 50 FFAA Brc1ccc(C2=Nn3c(nnc3-c3cnccn3)SC2)cc1 4776358 XSKOTPGOHWLBJD-UHFFFAOYSA-N 373.239 2.856 0 50 FFAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2 4953633 YABRBUIXTAICPE-CARYKQCGSA-N 357.450 2.809 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 6742287 BBIVYBWGMMORSX-IAGOWNOFSA-N 364.873 2.875 0 50 FFAA CC(C)CCN1CCN(Cc2cc(O)c3ccccc3n2)C[C@H]1CCO 104292725 GCWLSYBWLWUHAA-GOSISDBHSA-N 357.498 2.855 0 50 FFAA COc1ccccc1CN(C(=O)CC[C@@H](C)N1CCN(C)CC1)C1CC1 55166070 YDEMLMBRMZXXKQ-QGZVFWFLSA-N 359.514 2.602 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)O 43772412 SAKGBZWJAIABSY-QTZAWMSFSA-N 352.471 2.819 0 50 FFAA in-vitro O=C(CCN1CCN(c2nsc3ccccc23)CC1)Nc1cccnc1 65404752 GPUOVDYUQNQVPB-UHFFFAOYSA-N 367.478 2.842 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)cc1C 20207164 ZOYACOBPEZRJCR-NRFANRHFSA-N 369.509 2.776 0 50 FFAA O=c1oc2ccccc2n1CCN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65529166 VDOLCMXJUKBAIO-FUHWJXTLSA-N 356.397 2.584 0 50 FFAA Cc1ccc(-c2cn(C3CCN(C(=O)CCc4cn[nH]c4)CC3)nn2)cc1 23153519 BZGXWFUOPYAECS-UHFFFAOYSA-N 364.453 2.773 0 50 FFAA NC(=O)COc1ccccc1-c1nc2c(cnn2C[C@H]2CC=CCC2)[nH]1 32597726 AVFSOZCVNYSXMH-ZDUSSCGKSA-N 351.410 2.647 0 50 FFAA CCn1ncc(Br)c1C(=O)Nc1cccc(C(=O)OC)c1 667522 HCZMTJURKSAZOP-UHFFFAOYSA-N 352.188 2.704 0 50 FFAA Cc1ccc(C)c(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 123326426 UTEQDHOBDANRPP-UHFFFAOYSA-N 370.478 2.691 0 50 FFAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@]2(CC1)CNC(=O)O2 72132922 QWRJCWPOWQWRGP-NRFANRHFSA-N 372.465 2.824 0 50 FFAA COCCn1cnnc1[C@H](C)Nc1cc(-c2ccccc2)nc2ccnn12 72426622 NNEFHZJAZFMQNS-AWEZNQCLSA-N 363.425 2.807 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc(C)cc3F)CC2=O)c1 77358924 AQHNAMKVYSSDHT-UHFFFAOYSA-N 356.397 2.627 0 50 FFAA CC[C@H](O)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77471216 ZGTUNUNQIZIXBT-KRWDZBQOSA-N 350.890 2.925 0 50 FFAA COCc1cc(CN(C)Cc2nc(-c3cccnc3)no2)ccc1OC 72152818 PCPVMWMYRBBXKX-UHFFFAOYSA-N 354.410 2.919 0 50 FFAA Cc1cc(N2CCC[C@@H](Nc3nccc4c3C(=O)OC4(C)C)C2)n(C)n1 376652491 QTKUGFVTOCFPNU-CYBMUJFWSA-N 355.442 2.610 0 50 FFAA C[C@@H](C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1)N1CCOCC1 72477043 OCPJDQMVPPRPBO-AWEZNQCLSA-N 368.880 2.981 0 50 FFAA Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 333057882 MOJNOSQDFZFQRY-KURKYZTESA-N 360.502 2.748 0 50 FFAA CC(C)N1CCC(CN2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)CC1 72162740 DYCLOPXCDUSSSK-RTWAWAEBSA-N 357.542 2.515 0 50 FFAA Cc1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c(=O)[nH]c1C 378430271 VMPSQFLDMPZSRD-AWEZNQCLSA-N 352.394 2.895 0 50 FFAA O=C1CN(C(=O)C[C@H]2C[C@H]3CC[C@H]2O3)c2cc(Br)ccc2N1 333869420 OXVGGIRMPWPABP-GLXFQSAKSA-N 365.227 2.692 0 50 FFAA COc1ccccc1/C=C/CN1CCC[C@](O)(c2cn(C(C)C)nn2)C1 285648816 XPEDQVQWRKPNFF-AQDCRGGLSA-N 356.470 2.864 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)CCCCc3ccccc3)cc2C1 82087436 HOBOEYXRSFKYHG-UHFFFAOYSA-N 368.481 2.665 0 50 FFAA COc1ccc(C2(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)CC2)cc1 223892406 GIBFCXXDMZBPIQ-QOKNQOGYSA-N 352.434 2.750 0 50 FFAA C[C@@H](Cc1cccs1)NC(=O)c1nccnc1C(=O)N1CCCCC1 19595143 HUFOKNNLQMVDCP-ZDUSSCGKSA-N 358.467 2.525 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2csc(CN(C)C)n2)[C@H](C)C1 82107718 QPILXOUPRRPSMP-OAHLLOKOSA-N 358.511 2.864 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)NCc1csc(C)n1 96138328 UMKXCUAPXLCHAL-UHFFFAOYSA-N 360.439 2.674 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]n1 95531711 GJGFBSKIEDTDKH-GOSISDBHSA-N 370.497 2.835 0 50 FFAA CC(=O)c1ccc(-c2cccc(C(=O)NC3CCN(CCO)CC3)c2)s1 426395389 OCMIMTNMPDBSJK-UHFFFAOYSA-N 372.490 2.804 0 50 FFAA COc1ccc2[nH]c(CNC(=O)C3CCN(C(=O)C4CCC4)CC3)cc2c1 91908142 GLVVODOLUJHEOV-UHFFFAOYSA-N 369.465 2.831 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1n[nH]c3c1CCCC3)C2 95530415 PASNPYCDASJCSI-AWEZNQCLSA-N 369.465 2.597 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)C[C@H]1c1ncc[nH]1 95503103 PQBFHEIYWYSTPI-NXEZZACHSA-N 374.447 2.535 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)C2)n1 97495396 OWFYSVNJAHFGTI-CQSZACIVSA-N 368.441 2.651 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)c1ccc2[nH]c(C(F)(F)F)nc2c1 97179340 MYZHXLKUDLMDJE-UHFFFAOYSA-N 367.356 2.814 0 50 FFAA CSCCc1nc([C@H](C)N2CCOCC2)n(Cc2cccc(C)c2)n1 95390739 YGXWYXQPXNVTIE-INIZCTEOSA-N 360.527 2.934 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)C2CCN(C3CCN(C)CC3)CC2)c1 97757946 CIFGQIUCWYDRNB-NRFANRHFSA-N 371.525 2.775 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N[C@H]1COC2(CCCCC2)C1 96153942 DCKKQXHKXLYRGQ-MRXNPFEDSA-N 359.470 2.931 0 50 FFAA O=C(CCN1C[C@H](O)[C@@H](N2CCCCC2)C1)Nc1cccc2ccccc12 244882588 XURUAFBGNANENZ-SFTDATJTSA-N 367.493 2.699 0 50 FFAA CO[C@@H]1O[C@H]2CC[C@@H]3[C@@H]2[C@H]2[C@H]4[C@H]5[C@@H]6[C@@H]7CC[C@H]8O[C@@H](OC)[C@@]([C@H]34)([C@H]5[C@@H]78)[C@@]612 247823618 FAGBTYMPISAHPZ-USVSPAHXSA-N 356.462 2.519 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCO[C@@H](c2cccnc2)C1 296322619 BCYQGKFDJFMJEY-FUHWJXTLSA-N 364.409 2.704 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)/C=C/c1ccco1)CC2 299265699 JFHMTWQEBIFUCV-JFDDCEBESA-N 371.389 2.911 0 50 FFAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc2c3c([nH]c2c1)CCCC3 299802207 SHOIFAAZJOBESR-PMACEKPBSA-N 353.466 2.640 0 50 FFAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4cccc(C(=O)O)c4)c(=O)n1c23 299738177 GODNKAKYPOIWMZ-SNVBAGLBSA-N 364.357 2.775 0 50 FFAA CN1CCC(OCCCNC(=O)COc2ccc3ccccc3c2)CC1 299758247 NMGPLVUIMDCCCM-UHFFFAOYSA-N 356.466 2.836 0 50 FFAA CC(C)N1CCO[C@@H](CC(=O)NCc2cc(-c3ccccc3F)no2)C1 299791251 CRTRTCWWZQLXJM-HNNXBMFYSA-N 361.417 2.596 0 50 FFAA Cc1ccc([C@H](NC(=O)CN2CCCCC2=O)c2cccnc2)c(C)c1 299800687 XLEQXXQIZHUTLX-OAQYLSRUSA-N 351.450 2.917 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1ccc(-c3ccccc3)n1C)CC2 299777618 NUJFUGDBYXEJRS-NBHGPNQESA-N 354.450 2.837 0 50 FFAA C[C@H]1CN([C@H](C)c2nc(C3(c4ccccc4)CC3)nn2CCO)C[C@@H](C)O1 828776625 BFAXKQBDRGJYGC-IXDOHACOSA-N 370.497 2.521 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCCC[C@H]1CN1CCOCC1)CO2 824750918 GSIGAVCNUOZTHQ-IBGZPJMESA-N 358.482 2.658 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)N[C@H]2CCCN(C3CCCC3)C2)no1 670452369 FJSPZYJVKOSRMK-HNNXBMFYSA-N 363.506 2.784 0 50 FFAA O=C(c1ccc2n[nH]cc2c1)N1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 1341258491 KOGLKBKCAXGATQ-IAGOWNOFSA-N 362.433 2.685 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCN[C@@H]2CCc3ccccc3C2)cc1 952986997 HWKQYKKRFZLWAV-LJQANCHMSA-N 358.507 2.811 0 50 FFAA Cc1cccc([C@H](C(=O)Nc2ccccc2NC(=O)CN(C)C)N(C)C)c1 952966523 UOJSDYNLYLLOOS-HXUWFJFHSA-N 368.481 2.737 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N(C)CC(=O)O)CC2)c(Cl)cc1F 186668996 DGHGQKSIHXKWRF-LBPRGKRZSA-N 356.825 2.799 0 50 FFAA COc1cccc(O[C@H](C)C(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772804100 GGKIOTBMHBGZFC-CQSZACIVSA-N 356.422 2.969 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cn1 11774463 PWBIKIWGIDQRJJ-IBGZPJMESA-N 361.392 2.521 0 50 FFAA CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 12002552 CIUHPXQFMWZMOZ-UHFFFAOYSA-N 372.446 2.551 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccncc1 12297931 BUQBZMKLRYLHSI-GOSISDBHSA-N 361.405 2.511 0 50 FFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(Cc2ccccc2Cl)nn1 12316675 WFMLWGIBJGDFPI-UHFFFAOYSA-N 372.860 2.764 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)Cn1ccnc1C 12317813 CPJIJDZSYGIMEY-HNNXBMFYSA-N 370.501 2.938 0 50 FFAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCCC3)nn2)ccc1CC 16649069 JENNFPBLQAVZLC-UHFFFAOYSA-N 360.483 2.604 0 50 FFAA Cn1cc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n1 1857667078 WYAIVHITVNDQFQ-GMBSWORKSA-N 359.857 2.672 0 50 FFAA Cn1cc(Cl)c(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)n1 1857701410 UUGYRMPVHSDSSH-UHFFFAOYSA-N 369.856 2.715 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1nc3ccccn3c1C)CC2 1857714176 MAXFUFBDBRRSSK-UHFFFAOYSA-N 351.406 2.858 0 50 FFAA O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 122103254 VIZLAYZQQBILIF-DLBZAZTESA-N 352.438 2.695 0 50 FFAA Cc1cnc2c(C(=O)N3Cc4ccccc4C[C@@H]3c3nnc(C)o3)cnn2c1 900775058 YWNWQRXYPMOGHR-QGZVFWFLSA-N 374.404 2.669 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)on1 1704329525 WFPQLHFVGULFAN-FQEVSTJZSA-N 369.469 2.774 0 50 FFAA O=C(O)c1cn([C@@H]2CCCN(C(=O)c3ccc(F)c4ccccc34)C2)nn1 909855175 LDKRLRZDYSLIQB-GFCCVEGCSA-N 368.368 2.746 0 50 FFAA Cc1n[nH]cc1CCCNC(=O)N1CC(O)(c2cccc3ccccc23)C1 846760527 UGQZQLKRRONCPQ-UHFFFAOYSA-N 364.449 2.717 0 50 FFAA Cc1cccc(C2(C(=O)N3CCC([C@@H]4CC[C@H](C(=O)O)O4)CC3)CC2)c1 952889729 LDVSOLAZRHXWKI-ZWKOTPCHSA-N 357.450 2.897 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H](c2ccc(OC)cc2)c2ccco2)CC1 1875365854 BSISFKPWLRRBRA-FQEVSTJZSA-N 368.433 2.918 0 50 FFAA CNC(=O)c1cc(Oc2cccc(OC[C@H]3C[N@@]3CC3CC3)c2)ccn1 1875385205 OIJGYOVCTQURLL-IQMFZBJNSA-N 353.422 2.707 0 50 FFAA O=C(NCCOc1c(F)cccc1Cl)[C@@H](NC1CC1)c1cccnc1 1875322193 LJZVPELWBRYCJQ-INIZCTEOSA-N 363.820 2.862 0 50 FFAA C[C@H](O)C[C@H](CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1)c1ccccc1 1875300002 GYFWVFJIAHKKFG-SWLSCSKDSA-N 367.405 2.546 0 50 FFAA Cc1cc(N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)c2c(C)noc2n1 1875400293 WCFTZHRNQGTIKT-SWLSCSKDSA-N 354.414 2.651 0 50 FFAA O=C(c1cc(C2CC2)ccn1)N1CC[C@]2(CCN(c3nncs3)C2)C1 1875406132 XVMIZCINUHAQKR-SFHVURJKSA-N 355.467 2.553 0 50 FFAA COC(=O)CCc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 899911512 SAZQTMQMIYHJHQ-UHFFFAOYSA-N 352.434 2.755 0 50 FFAA O=C(NCCCO)C(=Cc1ccccc1)NC(=O)c1ccccc1Cl 2049276278 OQTNFWOXXZQRAS-UHFFFAOYSA-N 358.825 2.610 0 50 FFAA O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[C@@H]1CCCn2nccc21 2325754188 LUFAOHPKIJYCAZ-CZUORRHYSA-N 372.856 2.583 0 50 FFAA CCN(C(=O)COc1cnn2c1CNCC2)c1cccc2ccccc12 2325770687 ZWIANFCKWJQLRP-UHFFFAOYSA-N 350.422 2.571 0 50 FFAA Cc1ccnc(N2CCN(C(=O)Nc3cnc(C4CCC4)nc3)CC2)c1 2325786402 IMJOJUWRROCCGT-UHFFFAOYSA-N 352.442 2.802 0 50 FFAA COc1ccc(CCNC(=S)NC(=O)c2cccs2)cc1OC 2195531 KNGPCVNYFGCKJB-UHFFFAOYSA-N 350.465 2.612 0 50 FFAA O=C(c1ccnc(O)c1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356163800 RJKTZWHFAADGLH-NRFANRHFSA-N 365.433 2.585 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)s1)CC2 2845810 HAZIDSXRPNVDFK-UHFFFAOYSA-N 365.480 2.541 0 50 FFAA COc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4269472 JIECTQNWMOWYBD-QZTJIDSGSA-N 372.446 2.616 0 50 FFAA COCc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)o1 23145799 WDCVFPORFRCSKX-SFHVURJKSA-N 350.503 2.875 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H]1[C@H]3CNC[C@H]31)CCO2 102044394 RDNBEVHVHIIEQL-RUYXUALKSA-N 364.445 2.554 0 50 FFAA Cc1cccnc1NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 20419219 UWBFBTCJGUCSSR-UHFFFAOYSA-N 367.361 2.929 0 50 FFAA O=S(=O)(NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 24577096 MKYIQPANVZCEQN-UHFFFAOYSA-N 355.828 2.930 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N(C)C)CC1 67026474 BSMOTATVGDXQOP-UHFFFAOYSA-N 352.866 2.738 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cccs1 67840230 PNUIRUVXUGAZBG-HXUWFJFHSA-N 358.507 2.824 0 50 FFAA CCCSc1ncc([C@@H]2CC(=O)NCc3nc4sccn4c32)cn1 65373960 WEAMYTASNCQRLX-NSHDSACASA-N 359.480 2.840 0 50 FFAA O=C1CCCN1c1ccc(N2CCC(NC[C@H]3CCCOC3)CC2)cc1 23369355 RJJYMOYZWPZSKH-QGZVFWFLSA-N 357.498 2.798 0 50 FFAA Cn1cc(-c2ccnc(N3CCC([C@@H](O)Cc4ccccc4)CC3)n2)cn1 23232472 KREKTZTWBQKFCW-FQEVSTJZSA-N 363.465 2.697 0 50 FFAA COc1ccc(C)cc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65492446 CHKPXXJOQVHOSL-DOTOQJQBSA-N 369.417 2.723 0 50 FFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cc(=O)c(O)co1 67842513 VVNPNYICLMNZOT-UHFFFAOYSA-N 374.299 2.741 0 50 FFAA CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccn1 171908931 GDYLNBNVVICGIA-FUHWJXTLSA-N 360.502 2.885 0 50 FFAA CCOC(=O)CNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71755371 KWSIWSZXOJPKTC-ZDUSSCGKSA-N 361.225 2.639 0 50 FFAA S=C(Nc1ccc(Br)cc1)N1CCC2(CC1)OCCO2 6970672 WKGKDPKOBKYZLI-UHFFFAOYSA-N 357.273 2.985 0 50 FFAA Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 120752926 ATLJEJTZCLURDR-UHFFFAOYSA-N 372.444 2.508 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4cc(C)ccc4OC)ccc3n2n1 38783776 MDLVMIKCXNBDJZ-UHFFFAOYSA-N 367.434 2.857 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)cc1 72479901 CVUFNXXGJDSVBP-HNNXBMFYSA-N 357.381 2.994 0 50 FFAA O=S(=O)(c1ccc2c(c1)COC2)N1CCC(Cc2cccnc2)CC1 329120743 QAHYQVVNCKXVTA-UHFFFAOYSA-N 358.463 2.755 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cc(Cl)ccc3F)C2)CN1CCO 77469975 WBBDOFXXLZFXNT-SFHVURJKSA-N 354.853 2.676 0 50 FFAA CS(=O)(=O)c1nnc(CN2CCC[C@H]2/C=C/c2cccs2)s1 367001474 FSHGBDHHDUDMEZ-MLRMMBSGSA-N 355.510 2.681 0 50 FFAA O=C1CSc2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cc2N1 261657951 KJPKIKPTJFKACH-GDLCADMTSA-N 360.435 2.589 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 331596391 LFEULDHSQITEHM-JQWIXIFHSA-N 356.216 2.561 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(C(C)C)CC2)c(O[C@H]2CCOC2)c1 156815962 PEOFVVATDXNVOP-IBGZPJMESA-N 360.498 2.899 0 50 FFAA CCn1cc(C(=O)N(C)C2CCC(F)(F)CC2)c(-c2cnn(C)c2)n1 377423697 RBEVNDGKHVGRJT-UHFFFAOYSA-N 351.401 2.953 0 50 FFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(N2CCCC2=O)cc1 262506702 JFGUXIAGXQJTAY-IBGZPJMESA-N 364.401 2.638 0 50 FFAA CCc1noc(CC)c1CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 237074100 UUQSKAQKTCTYQW-UHFFFAOYSA-N 370.449 2.987 0 50 FFAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 283474825 PNTBJIUNLRJTFV-SNVBAGLBSA-N 359.455 2.973 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4nccnc4C)CC[C@H]32)o1 72439085 VVJIVGHSZSASLR-FUHWJXTLSA-N 354.454 2.746 0 50 FFAA O=C(CC1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2)CC1)N1CCCC1 448713618 KXPKOJMFPDDTGY-IBGZPJMESA-N 369.509 2.764 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3scnc3C)CC2)n1 82133506 JJLPRELDJJHSRF-UHFFFAOYSA-N 371.388 2.531 0 50 FFAA CCCn1ncc2c(C(=O)N3CCN4CCC[C@@H]4C3)cc(C3CC3)nc21 20607048 RBGLOYXYEMTHBO-OAHLLOKOSA-N 353.470 2.639 0 50 FFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1csc(-c2cccs2)n1 82087148 JOHQMWOYQOIQIK-UHFFFAOYSA-N 368.447 2.982 0 50 FFAA C[C@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1cnn(C)c1 82121241 HNMYFTRNZHGJJE-INIZCTEOSA-N 374.444 2.965 0 50 FFAA CSc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82157022 MMRUBRCBALECNP-HXUWFJFHSA-N 362.539 2.996 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3ccc(O)c(C(C)=O)c3)c2)C1 426412108 BCHFMMKLJITVRI-GOSISDBHSA-N 366.417 2.612 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)Nc3cccc(F)c3)ncn2)c1C 82230567 SSEJACFSBCTDKN-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA COc1ccc(-n2nc(-c3ccco3)nc2[C@@H](C)N2CCN(C)CC2)cc1 96132811 DTYWWIKKRDLEIF-OAHLLOKOSA-N 367.453 2.844 0 50 FFAA CCNC(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95357725 RYYDWSGVKFPQGU-IBGZPJMESA-N 355.526 2.857 0 50 FFAA O=C(c1ccc([C@H]2CCCNC2)cc1)N1CCCN(C(=O)C2CCC2)CC1 95389496 FUSDKYBLFRJOMN-FQEVSTJZSA-N 369.509 2.628 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)cn1 91585922 XLPJSTKBMPVBQL-KRWDZBQOSA-N 364.453 2.563 0 50 FFAA O=S(=O)(CCC1CCOCC1)NCc1ccc(Br)cc1 292471598 PWLZEHYJUJLRGH-UHFFFAOYSA-N 362.289 2.685 0 50 FFAA Cc1nnc(CCNC(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)s1 95501402 IAECERSYIRQCGP-UHFFFAOYSA-N 365.434 2.944 0 50 FFAA CN(C)C(=O)CNC(=O)Nc1ccccc1OCCCc1ccccc1 96150017 BPZMGTGDYPVONN-UHFFFAOYSA-N 355.438 2.908 0 50 FFAA Cn1ccnc1SCCNC(=O)c1ccc(CN2CCCCC2)cc1 95381026 QLEDXMOUSFBRBG-UHFFFAOYSA-N 358.511 2.928 0 50 FFAA CCc1noc(CN(C)c2nc(C)nc3c2Cc2ccccc2OC3)n1 95519154 WGRLMAWQAWZINB-UHFFFAOYSA-N 351.410 2.850 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N(C)Cc1nc(-c2ccncc2)no1)N(C)C 95373223 LLSFAJKMRIHMIW-SFHVURJKSA-N 365.437 2.701 0 50 FFAA Cc1sc2ncnc(NCCn3nc(O)c4ccccc4c3=O)c2c1C 95374431 ZSICXHFTFWMUIK-UHFFFAOYSA-N 367.434 2.836 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)Nc2cccc(-n3cncn3)c2)n1 96140885 OBLUKUQMHOAQJL-UHFFFAOYSA-N 355.402 2.513 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)c1 91872310 JCCNBDBYSBXFMD-MRXNPFEDSA-N 372.465 2.621 0 50 FFAA CSCc1nc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)cs1 95392898 ZVLZTCYOCLRWIR-UHFFFAOYSA-N 367.540 2.661 0 50 FFAA COC(=O)c1cnc2c(c1)n(Cc1scnc1C)c(=O)n2CCC(C)C 95517430 BTRKLYYRJDBNMN-UHFFFAOYSA-N 374.466 2.844 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnc(-c4cccs4)nc3O)C2)n1 91381886 RPVKNCFBZDKGNK-ZDUSSCGKSA-N 369.450 2.811 0 50 FFAA Cc1sc2ncnc(N[C@H]3C[C@@H](c4cc(NCCO)ncn4)C3)c2c1C 253378472 GJQCXGSJQDKEKB-BETUJISGSA-N 370.482 2.860 0 50 FFAA Cc1cccc([C@@H](CNC(=O)N2CCN(c3cccnc3)CC2)N(C)C)c1 534674622 JBAYXUZWLAWAQR-HXUWFJFHSA-N 367.497 2.525 0 50 FFAA Cc1ccc(C)n1CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 263587304 FIBNLXDFFUPPGP-QGZVFWFLSA-N 351.454 2.944 0 50 FFAA COc1ccc(NC(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 55062760 IOTCQBKMEWLZJN-UHFFFAOYSA-N 367.449 2.659 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1Cl 632750270 UTCDAEAWANLLIZ-UHFFFAOYSA-N 350.227 2.546 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 299777994 PGNUXUMDNHSHFP-CQSZACIVSA-N 353.430 2.983 0 50 FFAA CNC(=O)C1(NC(=O)NCc2nc(C(C)(C)C)cs2)CCCCC1 584884408 CVPCRTNVINIGJJ-UHFFFAOYSA-N 352.504 2.689 0 50 FFAA Cn1ccc(C(=O)N2C[C@H]3C[C@H](c4ccccc4)CC[C@@]3(C(=O)O)C2)n1 1076030655 ADGISLRWFDSDSP-JXXFODFXSA-N 353.422 2.531 0 50 FFAA CCc1nnc(CNC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)s1 584901850 HAEFBQBOGMWCRY-UHFFFAOYSA-N 372.454 2.801 0 50 FFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)Cc1ccc(C)o1 952982059 OSTPHEQXTZUWPA-UHFFFAOYSA-N 361.423 2.603 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)Cc2ccc(-n3nnnc3C)cc2)c(C)s1 952971359 SEFABTZDTCAATK-LLVKDONJSA-N 370.482 2.806 0 50 FFAA Cn1c(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccccn2)cc2ccccc21 1565512535 HHNQTTBSZVHRRG-YJBOKZPZSA-N 351.406 2.540 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H]1c1cccc(C)n1)C2=O 167512685 FTWYEKHBKSORBR-GOSISDBHSA-N 363.417 2.658 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Cl)c(Cl)c2)cn1 275532499 MARKUURTYUVYMX-ZBFHGGJFSA-N 353.253 2.836 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1SCCc2sccc21 170643288 UFEDBVYFLVMAMD-LBPRGKRZSA-N 352.510 2.610 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)O)cc2)CCN1C[C@@H](O)c1ccccc1 736810386 OEXWLDDDODUBEW-OXJNMPFZSA-N 354.450 2.625 0 50 FFAA Cc1ccc(SCCCNC(=O)CSc2nnc(N)s2)cc1 1506418731 IUFJFHGLYHGGJZ-UHFFFAOYSA-N 354.526 2.819 0 50 FFAA c1ccc(CCN2CCC(N[C@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1704340377 HVPJKUCKIAQVAT-GGAORHGYSA-N 365.521 2.936 0 50 FFAA Cc1cc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)c(C)c(CN2CCCC[C@H]2C)c1 1772804822 VHENZQBYNJZGMW-ZPMCFJSWSA-N 372.553 2.710 0 50 FFAA Cc1cccn2ncc(C(=O)NCCc3nc(Cc4ccccc4)no3)c12 1772706757 LXUWVHTYYHBHLL-UHFFFAOYSA-N 361.405 2.589 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCCN([C@@H]2CCSC2)CC1 1772814448 ZPIYJHDGRVBWCG-OAHLLOKOSA-N 350.532 2.680 0 50 FFAA COCc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)o1 12466436 VOGVLEPVZBCGNU-CQSZACIVSA-N 374.412 2.847 0 50 FFAA CCCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 12587625 KUKIJUHGUVIWHK-FQEVSTJZSA-N 367.493 2.789 0 50 FFAA CCOc1ccccc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 13545159 GIUYDMLIDDBHDC-UHFFFAOYSA-N 351.453 2.542 0 50 FFAA O=C(CCC1CCCC1)NCCn1cc(C(=O)Nc2ccccc2)nn1 14988051 AJECGEWTTPFKCV-UHFFFAOYSA-N 355.442 2.617 0 50 FFAA CC[C@H]1CN(CC(=O)NCCc2ccco2)Cc2cc(OC)ccc2O1 15003673 JCKUFASSSXKSSP-INIZCTEOSA-N 358.438 2.620 0 50 FFAA O=C(CCC1CCN(C[C@H]2CCOC2)CC1)Nc1ccc2c(c1)OCCO2 15064611 NQQHETCCRZIPPI-QGZVFWFLSA-N 374.481 2.925 0 50 FFAA CCc1ccc(-c2ccc(N3CCC[C@@H](C)C3)nn2)cc1S(=O)(=O)NC 16626378 RQRSKDPDYOPZRM-CQSZACIVSA-N 374.510 2.850 0 50 FFAA O=C(CCSc1nnnn1Cc1ccccc1)Nc1ccccc1F 16650564 KEWHVTNWMVOSBP-UHFFFAOYSA-N 357.414 2.981 0 50 FFAA Cc1ccc(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)cc1Cl 16839779 KUYZTMVUEZTSII-JTQLQIEISA-N 353.749 2.854 0 50 FFAA O=C(c1ccsc1)N1CCC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169777735 XAYMIJVUPGALOG-ZDUSSCGKSA-N 370.438 2.744 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)s1 153836149 LWUYCERPKQWEMV-UHFFFAOYSA-N 362.402 2.889 0 50 FFAA CNC1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 237077720 UXIXWFGPCLKQER-GFCCVEGCSA-N 355.276 2.735 0 50 FFAA Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCN(c2cc(Cl)ccc2C)C1 127623848 ZIWSIWGPLFMUEE-CQSZACIVSA-N 359.857 2.901 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)n(C)n1 252501056 UBYCUQJHEFOBDU-INIZCTEOSA-N 373.505 2.533 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(OC)c(OC)c2Cl)C[C@@H]1O 1704307563 AEUADZCRTDJNKW-KSSFIOAISA-N 371.861 2.795 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)cc3F)C1)CC2 1704316550 UNLGWKOUKHDMCT-HXUWFJFHSA-N 370.428 2.508 0 50 FFAA COC(=O)[C@]1(F)CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@@H]1C1CC1 1875379597 ZARDULLPXDTIPR-BMIGLBTASA-N 361.200 2.752 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCCN(c3cc(C)ccc3F)C2)CC1 1875370978 KFFHXIJCPLZUMA-KRWDZBQOSA-N 373.472 2.644 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CCC[C@H]2N(C(=O)[C@@H]2CC2(C)C)C3)ccn1 1875404944 DUNBIYWSRMDQKA-XLAORIBOSA-N 355.482 2.793 0 50 FFAA Cc1cccc2[nH]cc(CCC(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)c12 1875403300 SFGXDDPEZSOYMJ-KFKAGJAMSA-N 366.465 2.561 0 50 FFAA O=C(Cc1cc(O)cc(Br)c1)NCCc1cc(C2CC2)on1 2325792867 RMCHVXUORLPEBP-UHFFFAOYSA-N 365.227 2.922 0 50 FFAA CCCC1CCC(NC(=O)NC[C@H]2CC23CCS(=O)(=O)CC3)CC1 2325795856 ALHKCFUDTURKMK-HWOWSKLDSA-N 356.532 2.859 0 50 FFAA N[C@@H](CCc1ccncc1)C(=O)Nc1ccc2nc(C(F)(F)F)cn2c1 2325858538 RABOHVXVVGKLBN-ZDUSSCGKSA-N 363.343 2.647 0 50 FFAA O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1Br 714286 MCQFSNHWCSBXGN-UHFFFAOYSA-N 354.225 2.862 0 50 FFAA COc1cccc(OC)c1CNC(=O)c1ccc(-c2cncc(N)n2)cc1 2356168085 ORKISPREVYYGSG-UHFFFAOYSA-N 364.405 2.673 0 50 FFAA Cc1nnc(NC(=O)[C@H](C)Sc2nnc(C)n2-c2ccccc2)s1 4736426 FAOPVUBXWNEFCN-VIFPVBQESA-N 360.468 2.855 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CC(=O)NCCCOc1cccnc1 55404688 CXPSTEWRRWCQEJ-UHFFFAOYSA-N 361.829 2.957 0 50 FFAA COc1ccc(-n2cccn2)c([C@@H]2CC(=O)NCc3nc4ccccn4c32)c1 65371703 XMCNBNIOAAAXSK-INIZCTEOSA-N 373.416 2.680 0 50 FFAA O=C(NCc1ccccc1-n1cncn1)c1c[nH]nc1C1CCCCC1 67804781 QNGGHGFWNXKUQI-UHFFFAOYSA-N 350.426 2.968 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1ccsc1 229711050 ZJHZUPRUHSZQTK-BZUAXINKSA-N 360.479 2.977 0 50 FFAA CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccccc1C 67604477 UPMVCLKFATZJPF-RDJZCZTQSA-N 352.500 2.624 0 50 FFAA CN(C)C1CCN(CCNC(=O)Nc2cccc3c2OC(C)(C)C3)CC1 252489580 JUJJQQQFUFUUHV-UHFFFAOYSA-N 360.502 2.548 0 50 FFAA Cc1cc(NC(=O)N2CCCN(C)C(=O)C2)ccc1Oc1cccnc1 252535774 GVTBXDQFMMMRTE-UHFFFAOYSA-N 354.410 2.878 0 50 FFAA CCCc1nc(C(=O)N[C@@H](c2ccc(OC)nc2)C2CC(O)C2)cs1 219507729 HQTLUHKCNWSKNS-FVKWTLKZSA-N 361.467 2.741 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O 77565210 FGSBDLVTMYRACR-OAHLLOKOSA-N 374.485 2.835 0 50 FFAA O=C1CC[C@]2(CCCN(c3ncccc3Cl)C2)CN1CCc1c[nH]cn1 77301576 CZANWMBEEIKNBA-LJQANCHMSA-N 373.888 2.910 0 50 FFAA Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccc(F)cn3)CC2)c(C)o1 122757698 KAVJGRGOXXTPKS-UHFFFAOYSA-N 360.389 2.857 0 50 FFAA O=C(CC1CC1)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 77505423 CEIIZRNWDXMOPL-UHFFFAOYSA-N 358.438 2.679 0 50 FFAA O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NC3CCCCC3)cc21 71385294 HOJVHPIZTVYJLA-LBPRGKRZSA-N 354.406 2.943 0 50 FFAA CC(C)Cn1c(CN2CCC[C@H]2C(=O)N2CCOCC2)nc2ccccc21 216393619 LVQTUFFUWFKLFE-IBGZPJMESA-N 370.497 2.516 0 50 FFAA CN1C(=O)C[C@@H](C(=O)Nc2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 364665334 VYKZFRWEDQVORQ-QMTHXVAHSA-N 365.220 2.942 0 50 FFAA Cc1ccc(F)c(C(=O)N2CCC(CO)(CN3CCCC3)CC2)c1F 219062101 YAOAQPAFSZODQP-UHFFFAOYSA-N 352.425 2.584 0 50 FFAA COc1cccc(F)c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1 77386016 NPBYRBNJQCHMBR-UHFFFAOYSA-N 357.429 2.966 0 50 FFAA CC(C)(O)CN1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)CC1 332241430 RUEBXIAZFPDQLX-UHFFFAOYSA-N 366.531 2.677 0 50 FFAA Cc1ccc(OC2(C(=O)NCc3ccc4c(c3)OCO4)CCNCC2)cc1 77380269 DZOXBPSGRMRMNC-UHFFFAOYSA-N 368.433 2.541 0 50 FFAA CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O 363404222 KDBUKYYMXDZTIG-ROUUACIJSA-N 356.470 2.904 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 130923297 KZAPQHYIIDEIFM-MSOLQXFVSA-N 350.422 2.709 0 50 FFAA Cn1ncc2c(NCCCCCN3CCOCC3)nc(C3CCCC3)nc21 72457346 BTZBGJHYFSVVBE-UHFFFAOYSA-N 372.517 2.935 0 50 FFAA CCn1cc(S(=O)(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c(C)n1 72167451 RJMQKAGTVLCWKN-INIZCTEOSA-N 368.547 2.677 0 50 FFAA COc1cccc([C@@H]2CCCN(S(=O)(=O)NCc3ccccc3)C2)c1 71762764 DPUUFCCCMQOPHD-GOSISDBHSA-N 360.479 2.909 0 50 FFAA CN1CCC(CNC(=O)CCN2CCCCCC2=O)(c2ccccc2)CC1 219710835 FTUVLAOYMHZYTG-UHFFFAOYSA-N 371.525 2.559 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1cccc([C@@H]2CCCNC2)c1 216275415 VZKZRHIURUYMCN-HXUWFJFHSA-N 353.466 2.837 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CC(O)(Cc2cccc(F)c2)C1 372420602 HUBRJSFJFZSZDK-XIHFCGMSSA-N 359.445 2.912 0 50 FFAA CO[C@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1cnn(C)c1 374251984 RYKXPIWMSQMLBF-IBGZPJMESA-N 357.454 2.624 0 50 FFAA c1nc(NC[C@H]2CCCO2)ncc1CN1CCCN(C2CCCC2)CC1 77471265 TUNPWROVTYXFGR-LJQANCHMSA-N 359.518 2.518 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@H]3CCCCO3)c12 72474766 BRVDCOZGPSLMLU-OAHLLOKOSA-N 352.442 2.739 0 50 FFAA CC(C)c1nc2ccccc2n1CC(=O)N1CCO[C@@H](C(F)(F)F)C1 71714652 UIALXXZIGCTADX-CQSZACIVSA-N 355.360 2.949 0 50 FFAA COc1ccc(C(=O)NCCc2ccc(C)s2)cc1N1CCOCC1 223372172 MOQIZEXPNHVKMU-UHFFFAOYSA-N 360.479 2.874 0 50 FFAA CCCc1nc(C(=O)N2CC[C@H](COCC)C2)nn1-c1ccccc1F 175482345 OYDJRCJEWCEOSV-AWEZNQCLSA-N 360.433 2.858 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Cc3c(C)[nH]c4ccccc34)C2)cc(=O)[nH]1 82147620 SCPQXRZAPJXACB-OAHLLOKOSA-N 364.449 2.817 0 50 FFAA Cc1nccn1CC[C@@H](C)N1CCC2(CC1)Nc1ccccc1NC2=O 82162006 IKMYOCZNHHFNNO-OAHLLOKOSA-N 353.470 2.869 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)ccc1S(C)(=O)=O 498583072 IHJRWAOUZSDQMK-HUUCEWRRSA-N 352.456 2.574 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)cc1 82138861 MYKWGZDONNIWQY-IBGZPJMESA-N 364.511 2.797 0 50 FFAA Cc1nn(CC(=O)N(C)Cc2csc(C(C)C)n2)c(=O)c2ccccc12 91997163 RVAHVLNRNZGVNG-UHFFFAOYSA-N 370.478 2.943 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)[C@H](C(=O)O)c1ccc(N)nc1 95391671 BKBRUBXLAHWIFZ-SFHVURJKSA-N 360.502 2.910 0 50 FFAA COc1c(C)cnc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)c1C 91440891 IDUASZFRPMNCJU-OAHLLOKOSA-N 359.470 2.504 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239174497 QDKJBAZDSXUQIO-QLDGJZPUSA-N 361.397 2.643 0 50 FFAA O=C1C[C@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1Cc1cccnc1 95359592 YLLPJZUPYNFBKF-INIZCTEOSA-N 369.852 2.668 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 95527285 UTBBPYLPGFIDKZ-UHFFFAOYSA-N 368.481 2.818 0 50 FFAA CC[C@]1(C(=O)O)CCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 91412239 NYWAIXWXYBNQTC-SFHVURJKSA-N 367.829 2.757 0 50 FFAA O=C(CCC1CCN(c2ncnc3ccsc23)CC1)NC[C@H]1CCCO1 95507455 SOLDDSRJMKXTEF-OAHLLOKOSA-N 374.510 2.983 0 50 FFAA Cc1nn(CCNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)c(C)c1Cl 91724836 XLCULXHLGDDISQ-UHFFFAOYSA-N 359.817 2.679 0 50 FFAA CC(C)NC(=O)CCN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 95379460 VAIUCXKGOTXCPZ-IBGZPJMESA-N 371.525 2.629 0 50 FFAA COc1cccc2c1OC[C@@H](CNC1CCN(Cc3ccccn3)CC1)C2 95365556 ILHARQWALJZLTB-QGZVFWFLSA-N 367.493 2.896 0 50 FFAA Cc1c(C(=O)N[C@@H](C)c2c(F)cccc2Cl)nnn1C1CCNCC1 237501854 BFSOEDQTVANAQL-JTQLQIEISA-N 365.840 2.795 0 50 FFAA Cc1nnc(CCNC2CCN(c3ncnc4c(C)csc34)CC2)s1 95528703 AZPWNTOJNBPETR-UHFFFAOYSA-N 374.539 2.961 0 50 FFAA COc1cncc([C@@H](NC(=O)Cn2ccc3ccccc32)[C@H]2C[C@@H](O)C2)c1 244899624 ZMZRRUWAIATGFQ-XPIZARPCSA-N 365.433 2.673 0 50 FFAA COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252533085 FUWSSRPODJXONK-MJEQTWJJSA-N 360.841 2.856 0 50 FFAA c1cncc(CN2CCC(N[C@H]3CCCO[C@@H]3c3ccncc3)CC2)c1 299743033 LQIVAIYMQRBINC-LEWJYISDSA-N 352.482 2.951 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 534656601 PLLVEQIWZZGBBZ-QGZVFWFLSA-N 374.448 2.995 0 50 FFAA CC(C)[C@H](NC(=O)N(C)Cc1ccc(-n2cccn2)cc1)c1ncnn1C 534665983 ZITQJNOWJFYXAH-KRWDZBQOSA-N 367.457 2.540 0 50 FFAA Cc1ccnc(SCC(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 299758073 ASEZOPPJVAJHOY-UHFFFAOYSA-N 370.522 2.657 0 50 FFAA CC(C)[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ncnn1C 299778807 OJXYBTMGCURVHE-HXUWFJFHSA-N 369.513 2.931 0 50 FFAA O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCCN2C2Cc3ccccc3C2)C1 299801355 WIXGURKHEOOFEL-IRLDBZIGSA-N 368.521 2.893 0 50 FFAA O=C(C1CCC1)N1CCn2nc(CNc3cnc4ccccc4n3)cc2C1 299793613 GZKZLULNXDWLOW-UHFFFAOYSA-N 362.437 2.581 0 50 FFAA Cc1cnc(CNC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)cn1 299787042 YUCCUOVOBVJRQD-UHFFFAOYSA-N 373.844 2.996 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N[C@H](C)c3nncn3C(C)C)cc2s1 825277052 WWCPKEQIQDWOKU-SNVBAGLBSA-N 365.484 2.817 0 50 FFAA CSCc1nc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cs1 584893979 AJCOOBRDIYJWNF-UHFFFAOYSA-N 353.517 2.698 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Br)cc1Cl 131798997 BOFOGVQMXOPFOE-SCZZXKLOSA-N 367.696 2.603 0 50 FFAA O=C(CCc1nc2cccnc2[nH]1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 1337288740 IDKZPNBPDFVLOJ-AWEZNQCLSA-N 369.856 2.939 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](NCc2nc3ccc(Cl)cc3n2C)CCO1 275353291 AFCULCOSAZREER-SUMWQHHRSA-N 359.861 2.970 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(F)cc2C(F)(F)F)cn1 275586694 PKEUAMJNWSXQRL-ZBFHGGJFSA-N 370.350 2.688 0 50 FFAA CC[C@](NC(=O)/C=C/c1ccc(C(=O)NC)cc1)(C(=O)O)c1ccccc1 170671672 DQFHRJUMXCNPOH-QGFLDLQWSA-N 366.417 2.566 0 50 FFAA C[C@@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408504821 ZEWLCTNGWLRXNT-MNOVXSKESA-N 373.858 2.742 0 50 FFAA Cc1nc(C[C@@H]2CCCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)C2)no1 187677283 QILPJVVJPOOFFK-ZFWWWQNUSA-N 363.483 2.797 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3ccccc3OCC3CC3)CCO2)cn1 191706785 NSFDDIHANFJVJO-LJQANCHMSA-N 355.438 2.906 0 50 FFAA Cc1nc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)c2cnn(C)c2n1 194903456 DNHSMKYIESNSFW-NSHDSACASA-N 352.398 2.801 0 50 FFAA CCC[C@H]1CN(Cc2cc3c(cc2OC)OCCCO3)C[C@@H]1NC(C)=O 225384148 DMXJLEYPHHJIFT-RDJZCZTQSA-N 362.470 2.593 0 50 FFAA CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 1848444004 BLOQVCGQDNNYAB-PKOBYXMFSA-N 371.389 2.664 0 50 FFAA COc1cc(O)ccc1-c1nccn1-c1ccc2c(c1)ncn2CCO 1772814797 BODLBMRUANQJAE-UHFFFAOYSA-N 350.378 2.596 0 50 FFAA O=C(CCc1ccncc1)N1CCCN(c2nc3ccccc3o2)CC1 1772819775 SSJCMDVXESBKJE-UHFFFAOYSA-N 350.422 2.894 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1cccc(F)c1 11838335 HNWZSJGCQXLXLH-HXUWFJFHSA-N 360.404 2.608 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1 12090586 CIQFSWHJXGRXII-IBGZPJMESA-N 361.530 2.716 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1ccco1 12471404 XUTSTVDSYGKQDZ-MRXNPFEDSA-N 350.378 2.709 0 50 FFAA CC(=O)N1CCC(C(=O)NCc2csc(-c3cccc(C)c3)n2)CC1 13323270 HQWUYJFNZZXAQM-UHFFFAOYSA-N 357.479 2.993 0 50 FFAA O=C(Cc1ccccc1Cl)Nc1ccc(C(=O)N2CCOCC2)cc1 13325956 LUYUIQHKDLCEFG-UHFFFAOYSA-N 358.825 2.994 0 50 FFAA Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H](NC1CCCC1)C2 14731500 WQUIEVLIQNKNJF-CQSZACIVSA-N 358.511 2.801 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)cc3F)C2)C1=O 14950233 CYTCFXOMJLSXLF-GOSISDBHSA-N 368.836 2.580 0 50 FFAA CSCC(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1 15071276 GWHBNDURBQOGOO-UHFFFAOYSA-N 370.522 2.696 0 50 FFAA CN(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3ccc(Cl)cn3)C1)CC2 1857692887 YSRCCPMJSNPLTI-GOSISDBHSA-N 359.861 2.781 0 50 FFAA O=C(NCCO)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccsc1 1857700289 QQGXBUMGFBJQJC-QKNQBKEWSA-N 370.518 2.822 0 50 FFAA C[C@@H](C(=O)NC1CCCC1)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857708521 YBJCDPWHJCKVJQ-INIZCTEOSA-N 366.509 2.935 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c1 1857711929 IWHZYLCXJWEIDT-SNRMKQJTSA-N 366.461 2.954 0 50 FFAA C[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)NC(=O)c1cccnc1 4213960 RSKQGBFMNPDPLR-INIZCTEOSA-N 356.445 2.551 0 50 FFAA in-man Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n(C)n1 331497742 DNIOGPGJGXUCJX-SMDDNHRTSA-N 353.344 2.695 0 50 FFAA Cc1noc([C@@H]2COCCN2C(=O)COc2cc(Cl)ccc2Cl)n1 155369874 GJKSZMWCLGJWCY-LBPRGKRZSA-N 372.208 2.664 0 50 FFAA Cc1noc(Cl)c1CC(=O)NCc1ccc(CN2CCCC2=O)cc1 160736979 CQDWMBNNXWJIJB-UHFFFAOYSA-N 361.829 2.618 0 50 FFAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)N[C@H](CN)C1CCCC1 841983855 FLJGFLLJQBGSIX-RDTXWAMCSA-N 374.485 2.863 0 50 FFAA C[C@H]1c2cnccc2CCN1S(=O)(=O)c1cnn(Cc2ccccc2)c1 1875297870 GQBCTWQDFDZMMG-HNNXBMFYSA-N 368.462 2.634 0 50 FFAA O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)CC1 1875278174 GBXZKORUXDZSHU-ZIAGYGMSSA-N 356.451 2.519 0 50 FFAA O=C([C@@H]1CCC2(CCCCC2)NC1)N1C[C@H](Cn2cnnc2)C2(CCC2)C1 1875404273 CCTFXKKDAULMTL-MSOLQXFVSA-N 371.529 2.609 0 50 FFAA Cc1nocc1CN1CC[C@](C)(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)C1 1875407087 SKOXFAGLMQXHNJ-HUUJSLGLSA-N 351.450 2.650 0 50 FFAA Cc1cc(C(=O)N[C@@H]2[C@H]3CCCN(Cc4cscn4)[C@@H]3C2(C)C)n[nH]1 1875405023 LJPGUYZZSMTCGD-BMFZPTHFSA-N 359.499 2.594 0 50 FFAA COc1ccc(Br)cc1-c1noc([C@H]2OCC[C@H]2CN)n1 888078527 ZHUYIVJKQVTSGQ-UFBFGSQYSA-N 354.204 2.544 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1c[nH]nc1-c1ccc(F)cc1)C2 1073414418 QLGQUBLYRYUQRD-KSSFIOAISA-N 371.460 2.794 0 50 FFAA CCCOc1c(CNC(=O)c2cnc3cnn(C)c3c2)cccc1OC 2100544924 BHCLDYKOBCOXFJ-UHFFFAOYSA-N 354.410 2.696 0 50 FFAA COc1ccc(N2C[C@@H](NC(=O)N(C)CCc3ccccc3)CC2=O)cc1 2325756534 XJTFNPKZDVRGHI-KRWDZBQOSA-N 367.449 2.685 0 50 FFAA O=C(NC[C@]12CCCN[C@@H]1C2)N1CCc2sc(Br)cc2C1 2325766230 DLQOUTNVBHJBFJ-IUODEOHRSA-N 370.316 2.720 0 50 FFAA N[C@H](CCc1ccncc1)C(=O)Nc1ccc2nc(C(F)(F)F)cn2c1 2325858537 RABOHVXVVGKLBN-CYBMUJFWSA-N 363.343 2.647 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 708978 FAYANWNONKEVAB-GOSISDBHSA-N 367.405 2.970 0 50 FFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 1072196 OJHRXJHWVSKSEA-HNNXBMFYSA-N 352.390 2.889 0 50 FFAA Cc1cc2ccccc2n2c(SCC(=O)NC[C@H]3CCCO3)nnc12 1098158 YMYSSKBFHDSIOM-CQSZACIVSA-N 356.451 2.578 0 50 FFAA CCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 1152783 PVWUPUVHWZYPFV-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA O=C(Nc1cccc2ccccc12)[C@H]1CC=CC[C@H]1C(=O)NCCCO 2468962 PNQIJUCURRTMMW-MSOLQXFVSA-N 352.434 2.859 0 50 FFAA CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1 7608449 HANNJBHDTBTEPT-UHFFFAOYSA-N 364.398 2.531 0 50 FFAA O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cccc2ccccc12 55385540 VLGINIIHDCLJLI-UHFFFAOYSA-N 363.417 2.829 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)nc2ccccc12 225539755 GACDXOUJOMXFCW-UHFFFAOYSA-N 363.377 2.705 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COc1cccc2ccccc12 226448637 NGRSXZOYHFXQNO-KBAYOESNSA-N 353.418 2.755 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(C)ccc1OC 247844481 ROQWSAYVBLDPDR-UAGQMJEPSA-N 360.454 2.748 0 50 FFAA CC(C)c1nc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)no1 67674652 GZYGBFWDTRZXOY-UHFFFAOYSA-N 352.442 2.701 0 50 FFAA CCN1CCO[C@@H](C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)C1 469088180 WBRUQBJSXJWKSS-HXUWFJFHSA-N 374.481 2.797 0 50 FFAA C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1nc2c(s1)CCCC2 65506967 ZYJHZEQHRVPNQO-LLVKDONJSA-N 354.435 2.521 0 50 FFAA CC[C@H]1CN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)CCN1 67895321 WSNDEEWSTVHOHY-LBPRGKRZSA-N 367.808 2.870 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 67772632 ICFDKXXYQFXYMW-OAQYLSRUSA-N 353.466 2.650 0 50 FFAA CCCn1nccc1C(=O)NCc1cccnc1-n1cnc2ccccc21 67674070 RUNMHAQQZUFDPV-UHFFFAOYSA-N 360.421 2.957 0 50 FFAA C[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525818 PPCJYCOVGLOJEJ-FQEVSTJZSA-N 362.364 2.925 0 50 FFAA O=S(=O)(Nc1ncn(Cc2ccccc2F)n1)c1ccc(Cl)cc1 2779159 SNSJGYKTSXYYCY-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA CCC(=O)Nc1ccc(O)c(C(=O)N2CCn3c2nc2ccccc23)c1 121778173 SHTXQNBJGDNCAV-UHFFFAOYSA-N 350.378 2.751 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCO[C@H]2C(C)C)[C@H](C)S(C)(=O)=O)cc1 331235847 LIEOBYPXRAWTAN-HPBDAGMYSA-N 367.511 2.647 0 50 FFAA CC1=NN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)[C@@](O)(C(F)(F)F)C1 6394889 VCTPHYFMWLLDFM-BZNIZROVSA-N 356.344 2.802 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1noc(C2CC2)n1 328604860 LOKVJWVVULBGPL-KBPBESRZSA-N 365.478 2.756 0 50 FFAA Cc1ccc(C2(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CCC2)cc1C 434277319 PWAHSGJTXAYTBE-QGZVFWFLSA-N 355.482 2.788 0 50 FFAA CCC1(CC)[C@@H](N(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@H]1OC 332469392 RJKXJEOVZSLGHU-JKSUJKDBSA-N 368.499 2.724 0 50 FFAA COc1ccc(CN2CC(N3CCCC[C@H]3C)C2)cc1Cn1cccn1 72157475 VUKUYJKLRKDTGC-QGZVFWFLSA-N 354.498 2.999 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1F 363152233 SMLNBCVLTVHOGH-GOEBONIOSA-N 362.405 2.688 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1 72439853 KNAZDJQESLICMY-GOSISDBHSA-N 358.482 2.617 0 50 FFAA CC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)c1ccccc1 71747210 SZBMGRXLGBCXFN-KRWDZBQOSA-N 374.444 2.910 0 50 FFAA CCOC1CC2(CCN(C(=O)NCc3cccc(-c4nc[nH]n4)c3)C2)C1 376347589 JVVJMNUXVHGZTB-UHFFFAOYSA-N 355.442 2.572 0 50 FFAA O=C(NCC1(Cn2cccn2)CC1)c1ccc(C[C@@H]2CCCNC2)cc1 72146712 ODVYVUSBNFXIBU-SFHVURJKSA-N 352.482 2.635 0 50 FFAA Cc1nc(C2CCN(Cc3ccccc3OCCn3ccnc3)CC2)n[nH]1 215127534 ISPLJPCBUBTBFY-UHFFFAOYSA-N 366.469 2.768 0 50 FFAA COc1ccccc1-c1cc(CNC(=O)c2cnn3c2CCCC3)on1 72167185 WIZXNFANMIPNHX-UHFFFAOYSA-N 352.394 2.813 0 50 FFAA CCc1nccn1CCC(=O)N1CCN(c2ccccc2OC)C[C@H]1C 72407214 JCNPTPZPTOVVEX-MRXNPFEDSA-N 356.470 2.582 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H]1COCC[C@H]1Oc1ccccn1 219310333 LFEAOLORUOHLJR-RTBURBONSA-N 352.434 2.539 0 50 FFAA CC(C)c1nc([C@@H]2CCCN2C(=O)c2ncn(-c3ccccc3)n2)no1 157962068 HTATVJSPNWCZIT-AWEZNQCLSA-N 352.398 2.751 0 50 FFAA CCn1ccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1=O 77378221 IYQRZFDNSHPDNC-UHFFFAOYSA-N 367.493 2.649 0 50 FFAA CN(C)C1(CNc2cc(-c3ccccc3)nc3ccnn23)CCOCC1 72168186 VYNIFBJIVDEUAF-UHFFFAOYSA-N 351.454 2.919 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H](C)Cc3cnccn3)c12 72468186 DXWGIXNMTNCYDA-LBPRGKRZSA-N 360.425 2.567 0 50 FFAA O=C(CCSCc1ccccc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 222908055 ZRLOXECIAKLARJ-GSEOLPGOSA-N 360.523 2.678 0 50 FFAA CSCc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc1 286400872 JUNVBFMCMXZCBC-MJGOQNOKSA-N 369.490 2.780 0 50 FFAA CCc1cnc(CN(C)C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)s1 176830933 HTJJAJNRHUOGIA-UHFFFAOYSA-N 358.471 2.718 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1 426582787 IBAJBVCLXSFRBQ-HNJRGHQBSA-N 367.445 2.566 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCCN(Cc3cccnc3)CC2)N(C)C)cc1 95363682 OIZIMUXTNNDTCT-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA CN1CCN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@H]1c1nccn1C 291669237 GCLHYGBRWGLSGD-SFHVURJKSA-N 371.460 2.635 0 50 FFAA Cc1nc(CCCNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)sc1C 91486604 VFZKACHUZNPCAG-HNNXBMFYSA-N 363.527 2.990 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 92062166 OCSMLIINLOUSJM-OAQYLSRUSA-N 372.465 2.917 0 50 FFAA O=C1COc2c(F)cc(NC(=O)N[C@@H]3COC4(CCCCC4)C3)cc2N1 426490006 ARUMNZOIIJMWFN-LBPRGKRZSA-N 363.389 2.770 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4cccnc4)C3)CCC2=O)cn1 91952049 UBABQUIEQJCLFF-OAQYLSRUSA-N 365.481 2.585 0 50 FFAA CCCCn1nc([C@H]2CCOC2)nc1CCn1cnc2ccccc2c1=O 96131603 SCGAHAUTVKQXOH-HNNXBMFYSA-N 367.453 2.535 0 50 FFAA CCSc1nc(CC(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cs1 95358179 UCKRDIKNTLOVKZ-AWEZNQCLSA-N 370.540 2.984 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2)C(=O)N1 91526304 LLGILGQSYMJSBN-UHFFFAOYSA-N 361.401 2.672 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)cs1 96150429 AZAYLSDVSFDJBL-KRWDZBQOSA-N 371.506 2.737 0 50 FFAA CCc1nnc(NC(=O)CCN(C)Cc2cc(C(C)(C)C)n[nH]2)s1 244691889 JKVQRZROAKBULN-UHFFFAOYSA-N 350.492 2.582 0 50 FFAA O=C([C@H]1CC[C@@H](O)CC1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 244795297 RDMKBDBRGIIXOW-JOZSIVFUSA-N 372.484 2.765 0 50 FFAA COC(=O)[C@]12[C@H]3[C@@H]4CC5(SCCS5)[C@@]5(Br)[C@H]([C@H]1[C@@H]35)[C@@H]42 252428133 QXEYKUYDOGJKCT-WHKHQSEBSA-N 359.310 2.611 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cn2)C[C@@H](C)O1 299292722 KAAZAJGPTMEPOZ-CHWSQXEVSA-N 351.410 2.824 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 298936154 BDWKRSUNDPLDQO-NSHDSACASA-N 354.859 2.718 0 50 FFAA O=C(CSCCN1CCCC1)NCc1c[nH]nc1-c1ccc(F)cc1 299799736 ZORAEPGJGCWKRV-UHFFFAOYSA-N 362.474 2.661 0 50 FFAA O=C1C[C@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C2(CCCCC2)O1 299797371 NTHZBPKIUSMDAQ-QGZVFWFLSA-N 371.412 2.894 0 50 FFAA CCCn1nccc1S(=O)(=O)NCCC1CCN(C2CCCC2)CC1 670468588 XGOVXNKHVRQFRU-UHFFFAOYSA-N 368.547 2.616 0 50 FFAA Cc1oc(CN(C)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1C(=O)O 268928477 HCXHGBOACUFLKO-UHFFFAOYSA-N 373.405 2.994 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1cc([C@H]3CCCO3)nn1C)C2 278900020 FRWMHMYYXSOIQZ-QGZVFWFLSA-N 356.426 2.870 0 50 FFAA COc1ccc2c(NC(=O)[C@H](C(C)C)N3C[C@H](C)O[C@H](C)C3)n[nH]c2c1 194818177 FLPKKTGRKSQLHW-AHIWAGSCSA-N 360.458 2.644 0 50 FFAA CCc1cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)n(C)n1 1616085579 YQARMOKNVIBFHT-KXBFYZLASA-N 364.449 2.518 0 50 FFAA Fc1ccc(N2CCC(N3CCN(C4CCOCC4)CC3)CC2)cc1F 1506412287 BNCJSRRFTRCYEM-UHFFFAOYSA-N 365.468 2.730 0 50 FFAA CCc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 1529159186 QCWQWEQHUZKLGO-FQEVSTJZSA-N 366.461 2.657 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2cc(Cl)cc(OC)c2OC)C[C@@H]1O 1704314247 NNDOZVHFXOELSQ-YJBOKZPZSA-N 371.861 2.795 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3n[nH]c4c3CCCC4)C1)CC2 1704336713 LIOCNBXGEMBMDW-FQEVSTJZSA-N 351.454 2.507 0 50 FFAA Cc1cc(C[C@@H]2CN(c3ncnc4sc5c(c34)CCCC5)C[C@@H]2O)on1 1704340770 UAYJUBAQHUJZMI-DOMZBBRYSA-N 370.478 2.906 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCC[C@]3(CN(C)C(=O)O3)C2)o1 1772709940 KVKRLJTWEJRNJD-IBGZPJMESA-N 372.425 2.946 0 50 FFAA Cc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)[C@@H]3CCOC3)O2)CC1 12148999 ILEFZXXTNNKXEL-UXHICEINSA-N 372.509 2.661 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)C1 12206627 UAGUTGLWMRRQQK-HNNXBMFYSA-N 371.437 2.690 0 50 FFAA Cc1c([C@H](C)NC(=O)CSc2ccccn2)cnn1-c1ccccn1 12315924 YDGNFGKAAGXKEA-ZDUSSCGKSA-N 353.451 2.940 0 50 FFAA COc1cccc(OCc2nc(C(=O)N(C)Cc3nc(C)c[nH]3)co2)c1 12316938 YESIAAMPMYGZMP-UHFFFAOYSA-N 356.382 2.566 0 50 FFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCCC2=O)c1C 12469273 SABNNJVOMAITFW-QGZVFWFLSA-N 366.465 2.605 0 50 FFAA O=C(c1csnn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12585383 NNXATGVULCADLT-SFHVURJKSA-N 362.499 2.573 0 50 FFAA CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H](NCC(C)C)C2 14742540 WXMLFCFTXUVBCJ-OAHLLOKOSA-N 358.486 2.871 0 50 FFAA C=CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccc(C)c1)CC2 14951092 IKKQIQTZIUYMPK-SFHVURJKSA-N 356.466 2.537 0 50 FFAA O=C(COc1ccccc1Cl)N1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1F 14990796 FADLGBXARCFNBP-LRDDRELGSA-N 374.799 2.874 0 50 FFAA OC[C@H]1CCCN(CCn2ccnc2-c2coc(-c3ccccc3)n2)C1 1857693604 DMSDNEMYCLAOPU-INIZCTEOSA-N 352.438 2.909 0 50 FFAA CCc1[nH]nc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c1C 1857696251 TXQCGAIVAMDPGR-UHFFFAOYSA-N 363.465 2.922 0 50 FFAA COc1ccccc1Cc1nc([C@H]2C[C@@H]3CC[C@H]2O3)n(-c2ccnn2C)n1 1857711719 DISGUHVELCXPEJ-YQQAZPJKSA-N 365.437 2.635 0 50 FFAA CSCC(=O)NC[C@H]1[C@H]2CN(Cc3c(C)cccc3C)C[C@]23CC[C@H]1O3 1857736564 MVORJHSJBHESQZ-HKJQZYRSSA-N 374.550 2.762 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@@H](O)Cc2ccccc2)[C@@H]1c1cnn(C)c1 328653441 WWHWVJXYGRSCSK-ILWGZMRPSA-N 370.541 2.729 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cc(O)nc2ccc(Br)cc12 237409701 SUTZBZCRJAXCJR-MWLCHTKSSA-N 364.243 2.655 0 50 FFAA Cc1nc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)n(C)n1 333861420 RTGBYFORZGKQKI-LBPRGKRZSA-N 368.268 2.829 0 50 FFAA Cc1c(C(=O)N2CC[C@H](Oc3ccccc3)C2)cnn1C1CCOCC1 371315223 QUUUBKKEPLTDIM-SFHVURJKSA-N 355.438 2.837 0 50 FFAA CS(=O)(=O)c1ccc(C(=O)N2CCOc3c(Cl)cccc32)cc1 158480741 QVTYDFQTIXOBHH-UHFFFAOYSA-N 351.811 2.783 0 50 FFAA CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccccc2OC(F)F)c1 499556057 CCJDDKMLBNZFCZ-UHFFFAOYSA-N 373.352 2.761 0 50 FFAA CN(Cc1nccn1C(F)F)S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 913892411 PZNKKXUZLHMPIT-QWHCGFSZSA-N 359.373 2.735 0 50 FFAA O=C(Nc1ccc([C@@H]2CNCCO2)cc1)NC1([C@@H]2CCCCO2)CCC1 868171812 UPPGPQHXOKPNGW-ROUUACIJSA-N 359.470 2.961 0 50 FFAA CCOC(=O)Nc1scnc1C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C12CCC2 1875263143 GWGBJMJKGXZLKD-MVWJERBFSA-N 353.444 2.645 0 50 FFAA C=CC(=O)NC1(CNC(=O)c2cccc3c2OCCCO3)CCCCC1 1875386791 YSMVJBKZDMDZQY-UHFFFAOYSA-N 358.438 2.583 0 50 FFAA CCc1ccc(F)cc1C(=O)NCC[C@H]1CCCN1C(=O)c1cocn1 1875346281 YPPQUECBMZOVOP-OAHLLOKOSA-N 359.401 2.801 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCC1 1875385940 FWKZPIAEWNLRSU-JTQLQIEISA-N 361.389 2.753 0 50 FFAA CCN1C[C@H](c2nc(-c3cccc(F)c3)nn2C[C@H]2CCCO2)CCC1=O 1875348836 DMUNZVFXDBXDKX-NVXWUHKLSA-N 372.444 2.989 0 50 FFAA CC(=O)Nc1cccc2c1ccn2CC(=O)N=c1ccc2cccnc2[nH]1 1875341026 CSNOUTXFBQUWQM-UHFFFAOYSA-N 359.389 2.604 0 50 FFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCCc1ccccc1F 1875393942 VFBBYLOHXVPHEY-LDQXTDLNSA-N 371.456 2.695 0 50 FFAA CO[C@]1(c2nnc(-c3cccc(Cn4nc(C)cc4C)c3)o2)CCOC1 886085341 FFMVDAFQMKKYLO-LJQANCHMSA-N 354.410 2.860 0 50 FFAA COc1ccc(-c2cc(NC(=O)c3cc(=O)cc(C)o3)n[nH]2)c(OC)c1 2100482834 BTNVDXOZOWPAKG-UHFFFAOYSA-N 355.350 2.608 0 50 FFAA CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)C(F)F 2325786958 MBSZRFLGGAZMOM-CQSZACIVSA-N 361.392 2.857 0 50 FFAA Cc1nc2c([nH]1)[C@@H](C(=O)NCCCn1ccc3ccccc3c1=O)CCC2 2325806487 ZSCSTWDNDRLYHY-KRWDZBQOSA-N 364.449 2.659 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1C[C@@H](C(F)(F)F)CO1 2325813436 SFFSXEWTKRXGKZ-HUUCEWRRSA-N 353.344 2.515 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)c3cccs3)C2)n[nH]1 2325843094 UEQAZLDXDOCOPB-CHWSQXEVSA-N 360.483 2.729 0 50 FFAA O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1cccc2c1OCCNC2 2325859105 ODFLURZFPORCQA-QGZVFWFLSA-N 366.396 2.550 0 50 FFAA O=C(O)c1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1 689905 SOQONSYEZMRCAS-UHFFFAOYSA-N 354.414 2.514 0 50 FFAA O=C(CC[C@H]1COc2ccccc2O1)NC[C@H]1COc2ccccc2O1 1060902 PNFVIPPDXIFZQI-GJZGRUSLSA-N 355.390 2.563 0 50 FFAA CSc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 1063061 FXUVKFCCGRPBHF-LLVKDONJSA-N 368.455 2.853 0 50 FFAA Cn1ccnc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153927 ASOZPTHHOBNUJC-QFIPXVFZSA-N 373.460 2.997 0 50 FFAA CCC(=O)Nc1cccc(C(=O)Nc2nnc(SCCOC)s2)c1 4502998 CNUJFQDLAIWCEM-UHFFFAOYSA-N 366.468 2.877 0 50 FFAA COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1NC(C)=O 4815362 FNBOZFPCFLUEBF-UHFFFAOYSA-N 352.456 2.822 0 50 FFAA Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)no1 4827987 OBMOZZGKEOKXDJ-UHFFFAOYSA-N 363.329 2.742 0 50 FFAA COCCCN[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 6627047 SUHVDKQLBJQAKI-SFHVURJKSA-N 372.421 2.887 0 50 FFAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7708279 LPSAXQYGEUMTGR-UHFFFAOYSA-N 373.434 2.573 0 50 FFAA Cc1cccc(C)c1OCCCN(C)C(=O)c1cnc2sccn2c1=O 55120424 WJOCUFGCXREBPX-UHFFFAOYSA-N 371.462 2.914 0 50 FFAA CN1CCN(C(=O)c2ccnc(-c3cccc(-c4ccn(C)n4)c3)c2)CC1 20707287 MISYTZZFALPARJ-UHFFFAOYSA-N 361.449 2.537 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2c(c1)NC(=O)CS2 247812086 DDSOHKCJCCGCFJ-DFBGVHRSSA-N 374.462 2.677 0 50 FFAA COc1ccccc1N1CC[C@@H](N2CCN(c3cccc(C)c3)CC2)C1=O 464865585 IFOPEZDATFYSGS-HXUWFJFHSA-N 365.477 2.931 0 50 FFAA Cc1cccc(N2CCC(NC(=O)CCn3cnc4ccccc43)CC2)n1 116836619 QBBVAYFPZSMGHP-UHFFFAOYSA-N 363.465 2.915 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(N3CCCOCC3)nc2)cc1 20997559 QXOVHPUBMUTXSZ-UHFFFAOYSA-N 369.465 2.680 0 50 FFAA Nc1cc(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)ccn1 20601736 MGOKUDSLEGSSID-HNNXBMFYSA-N 365.355 2.766 0 50 FFAA CCOc1c(Cl)cc(N2C(=O)NC3(CCOCC3)C2=O)cc1Cl 348578782 ADTVHPKJAGGXPB-UHFFFAOYSA-N 359.209 2.998 0 50 FFAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2coc(COc3ccccc3)n2)C1 67854825 QJCWUDNPXRAJAK-OAHLLOKOSA-N 371.437 2.630 0 50 FFAA CCc1ncc(C(=O)N2CCc3onc(-c4cccc(OC)c4)c3C2)cn1 67983563 ZNWXASPXEPXAKT-UHFFFAOYSA-N 364.405 2.901 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O)c1ccc2c(c1)OCCO2 408461831 BIAWUGOLYPUACO-GVDBMIGSSA-N 359.466 2.887 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC(O)(c2ccc(F)cc2)CC1 65488633 IEPWQNFFEHBNOO-UHFFFAOYSA-N 370.424 2.517 0 50 FFAA COc1ccc(CNC(=O)c2cc(-c3c(C)nn(C)c3C)nn2C)cc1F 215138064 OENIUZRNKJHQJQ-UHFFFAOYSA-N 371.416 2.515 0 50 FFAA Cc1c(C(=O)N2CCNC[C@H]2C)cnn1-c1cccc(C(F)(F)F)c1 124661767 IMDXBWYEWFZXMY-LLVKDONJSA-N 352.360 2.633 0 50 FFAA CCn1cc(-c2nnc(S)n2-c2cnn(Cc3ccc(C)cc3)c2)cn1 2808727 DKZATXWJJJPSCA-UHFFFAOYSA-N 365.466 2.993 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3cc(C)cc(C)c3)ccc12 71376094 FWTQVCYCIFQMOF-UHFFFAOYSA-N 362.389 2.745 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CNc3nc4ccccc4s3)C2)n1 77377006 OCOWXGSQMLPUJM-CQSZACIVSA-N 355.467 2.995 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2ccccc2-n2cncn2)[C@H](C)C1 77504737 JJVWRJWJXBGILN-QGZVFWFLSA-N 361.449 2.927 0 50 FFAA COc1ccccc1OC1CCN(C(=O)Cc2cnc3ccccn23)CC1 77485975 CUUAVSASRDBANG-UHFFFAOYSA-N 365.433 2.955 0 50 FFAA Nc1nc(CCC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cs1 77287546 HPGOXGTZRXUKHN-SFHVURJKSA-N 373.522 2.890 0 50 FFAA CCc1nnsc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328645165 SAZKETVOWFYDFU-RYUDHWBXSA-N 368.503 2.847 0 50 FFAA CC(C)c1cccc(OCC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)c1 363491641 WAQJZPNCWUUDFW-MISYRCLQSA-N 360.498 2.899 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCC[C@H]1CCN1CCOCC1 77453606 KEFZIEHQACSCSN-KRWDZBQOSA-N 368.481 2.794 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1ncc(C)c(OC)c1C)C2 76205351 QHQAJLCMIJJFPV-INIZCTEOSA-N 370.449 2.925 0 50 FFAA COc1cccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 376607497 YASADPQPRXMNRJ-CEXWTWQISA-N 367.449 2.804 0 50 FFAA CCS(=O)(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 72161039 IROSZLZFTFFMBJ-KRWDZBQOSA-N 358.454 2.602 0 50 FFAA COc1cc(CNC(=O)[C@H](C)NC(=O)c2cccs2)c2ccccc2n1 172854900 CUPUEWWRSKFAAA-LBPRGKRZSA-N 369.446 2.740 0 50 FFAA Cn1ncc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1Cc1ccccc1 445249168 NAWQXIDVSXWSDQ-KRWDZBQOSA-N 374.444 2.867 0 50 FFAA CCc1nc(C2(NS(=O)(=O)C[C@H]3CCCC3(F)F)CCCC2)no1 333384124 FZXOJOCQZIOBRH-LLVKDONJSA-N 363.430 2.756 0 50 FFAA Cc1ccc(CNC(=O)N2CCOC(C)(C)C2)c(-n2cc(Cl)cn2)n1 240333276 FCQUFQNIADSOSW-UHFFFAOYSA-N 363.849 2.550 0 50 FFAA O=C(c1cc2ccccc2cc1O)N1CCC(CO)(CN2CCCC2)CC1 219925988 WHPQOMRPQPPETK-UHFFFAOYSA-N 368.477 2.856 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCC[C@@H](c2nnc3ccccn23)C1 334062457 ZLYMZFLSSDPLDC-SJLPKXTDSA-N 362.433 2.829 0 50 FFAA Cc1cccc(C)c1NC(=O)CNC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 241439917 NNLLGCZOAOMJCW-ROUUACIJSA-N 357.498 2.870 0 50 FFAA CN1C[C@@]2(CCCN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)C2)OC1=O 72120909 UOXHIPOPEAQDFO-GOSISDBHSA-N 361.829 2.598 0 50 FFAA CCC[C@H](C)C(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77471780 OTSINSATJTUIOB-AWEZNQCLSA-N 364.511 2.838 0 50 FFAA CCn1c(C)cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(C)nc2)c1C 222427309 TZZNFLQNHMNVAW-MOPGFXCFSA-N 357.454 2.795 0 50 FFAA CN(C)C[C@@H]1CCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C[C@H]1O 223646180 NOCYTAHYGBEQRV-AZUAARDMSA-N 356.441 2.877 0 50 FFAA CC(C)=CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82161358 IUYMFXCIYCSFNT-OAQYLSRUSA-N 355.482 2.822 0 50 FFAA COc1ccc(Nc2nc(C(=O)N3CC[C@](O)(C(F)F)C3)cs2)cc1 452675769 AYRFBDYRTPRUQO-MRXNPFEDSA-N 369.393 2.737 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(NC=O)cc2)CC1 174635518 MUBMVWLSXDVDQS-UHFFFAOYSA-N 365.433 2.598 0 50 FFAA CC(C)c1nccn1CCCNC(=O)C1(N2CCOCC2)CCCCC1 223011558 MJOZEGNEOKRLAO-UHFFFAOYSA-N 362.518 2.548 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 178266149 VKWYOBJJOGBOIO-ZGRWHYIRSA-N 352.390 2.607 0 50 FFAA O=C(NCCCn1ccc2ccccc21)c1cccc(N2CCNC2=O)c1 44981776 OTYIPEWMTKNXOO-UHFFFAOYSA-N 362.433 2.991 0 50 FFAA CC[C@@H](OC)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 82096679 PEPFBTDZVBIRBA-LJQANCHMSA-N 352.434 2.954 0 50 FFAA CCc1ccc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1 82230590 MRRQJFVVOJSWTM-UHFFFAOYSA-N 365.481 2.602 0 50 FFAA Cc1ccc2c(c1)C[C@H](C(=O)NCCc1csc(-c3ncccn3)n1)N2 222955456 ZJLKWDXZKNVBPC-MRXNPFEDSA-N 365.462 2.604 0 50 FFAA COc1ccccc1CCNC(=O)N1CCC(Oc2cccnc2)CC1 426699875 GCFKGAXIRUOERG-UHFFFAOYSA-N 355.438 2.886 0 50 FFAA O=C(NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2)Nc1ccccc1 82114511 ZVCQAFMQZUCMLO-UHFFFAOYSA-N 367.453 2.737 0 50 FFAA C[C@H]1CN(C(=O)NCc2ccc3sccc3c2)C[C@H](C)S1(=O)=O 291780659 GCMPNTMQYDCWCJ-RYUDHWBXSA-N 352.481 2.618 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)N3CCC3)cc2)c1 426734180 XDFCKIOSKBHFKD-UHFFFAOYSA-N 353.374 2.773 0 50 FFAA C[C@]12CCN(C(=O)Cc3ccnc(O)c3Br)C[C@@H]1C2(F)F 294823508 VSDSVQHIEFWXEG-ZANVPECISA-N 361.186 2.596 0 50 FFAA COc1ccc(OC)c([C@H](C)NC(=O)c2coc(CN3CCOCC3)c2)c1 97575060 VVEFOCXKLMYJJF-AWEZNQCLSA-N 374.437 2.620 0 50 FFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCc2cnn(C)c2C)cc1 426613600 IMTSNBPZLJWIGA-IBGZPJMESA-N 372.469 2.628 0 50 FFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C)c(C)[nH]c2=O)cc1 91951528 CSYZWFKMISDLSX-GOSISDBHSA-N 370.449 2.822 0 50 FFAA Cn1c(CS(=O)(=O)c2ncc(C(C)(C)C)s2)nnc1C1CCC1 181003170 JWNFSIFREXCZTK-UHFFFAOYSA-N 354.501 2.811 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)cc2o1 95526955 UHAKJWZVHCVVEN-IIBYNOLFSA-N 364.401 2.747 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95372662 CTSOATHDRUCELY-MRXNPFEDSA-N 365.458 2.961 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc2c([nH]c1=O)CCCC2 95387418 OIBGIZXWJAJHDB-CQSZACIVSA-N 352.434 2.625 0 50 FFAA CCc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)nc1 91892766 OXNRAHFXCBQSPV-DLBZAZTESA-N 354.406 2.673 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](C)n1ccnc1C(C)C 95518632 FITBCZLMFSWHRQ-GFCCVEGCSA-N 357.380 2.908 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)c1 95389331 RHQNFLHPKXJJOO-IBGZPJMESA-N 356.470 2.770 0 50 FFAA CCCCn1nc(CCc2ccccc2)nc1C[C@H]1C=CS(=O)(=O)C1 96149963 RGHAYWMDUJLMMR-QGZVFWFLSA-N 359.495 2.964 0 50 FFAA CCN(CC)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91808631 WOJDXALSXUFTDI-UHFFFAOYSA-N 358.486 2.748 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 95504920 CCXDTYPCMUFXQP-INIZCTEOSA-N 358.404 2.975 0 50 FFAA CCOCCc1nc(-c2ccc3c(c2)OCO3)n(-c2cccc(C)n2)n1 91391349 IOXNCSDYMWHUOD-UHFFFAOYSA-N 352.394 2.945 0 50 FFAA Cn1c(=O)c(C(=O)NCCCSCc2ccco2)nc2ccccc21 97413378 BLQQZVYPODXJST-UHFFFAOYSA-N 357.435 2.580 0 50 FFAA Cc1nc(C2CC2)ccc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 295427899 NXTXKOJYDRXDTD-INIZCTEOSA-N 356.426 2.988 0 50 FFAA COc1ccccc1CNC(=O)CCN1CCN(C2CCCCC2)CC1 244673726 HULKNJZCNUDBBQ-UHFFFAOYSA-N 359.514 2.652 0 50 FFAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CCN([C@@H]3CCNC3)CC2)c1 244691623 JGDYQCCBUGNFTI-GOSISDBHSA-N 373.541 2.782 0 50 FFAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3ccc(Oc4ccccc4)o3)C2)n1 253535524 ZRHAAZZAAKZXKU-TXEJJXNPSA-N 366.377 2.826 0 50 FFAA CCC[C@H](NC(=O)N1CCC(Oc2ccncc2)CC1)c1nccn1C 534654483 AGOWCCIKMHQJJM-KRWDZBQOSA-N 357.458 2.909 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 299802309 YUBYVWOSYJTBPK-GFCCVEGCSA-N 369.469 2.741 0 50 FFAA CC(=O)c1cc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)cs1 299784678 ZWQVCTRMDJVSEV-UHFFFAOYSA-N 372.494 2.579 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)Cc1cccnc1 299762855 CGQAZACPYSSOLO-GOSISDBHSA-N 369.465 2.941 0 50 FFAA Cc1cn2cc(CC(=O)N[C@H](C)c3ccc4nc(O)oc4c3)nc2s1 1461921370 ZHIOHFPBJGMQAO-SNVBAGLBSA-N 356.407 2.971 0 50 FFAA O=C(CCc1ccc(F)cc1F)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565509057 DPOCQIZMIRALJJ-ROUUACIJSA-N 353.409 2.988 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc(Cl)c1 1565511289 VIYAACIGOZRLHM-CJNGLKHVSA-N 370.840 2.507 0 50 FFAA Cc1cc(NC(=O)[C@H](C)OC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)no1 222026711 IHVGGKYEUCPOAG-LUIVIUGWSA-N 362.426 2.575 0 50 FFAA Cn1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)cn1 278268085 IAGWPTHVIJDOOA-UHFFFAOYSA-N 353.344 2.875 0 50 FFAA Cc1cccc(OC[C@H](C)NC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 271826645 SVVXMHWQTGNUDA-ZDUSSCGKSA-N 360.376 2.861 0 50 FFAA CCC[C@H]1CN(c2ncnc3cc(F)c(OC)cc23)CCN1CCOC 186276917 DVSYDAMAUGJXDG-AWEZNQCLSA-N 362.449 2.715 0 50 FFAA CCN(C)C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 185861309 YWRPKMJKWBPKKP-UHFFFAOYSA-N 357.376 2.971 0 50 FFAA C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 186662404 FTLXVGLDJSOSRL-QAPCUYQASA-N 364.461 2.792 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 186638461 WQDUFOPEGJPDQE-UHFFFAOYSA-N 358.360 2.717 0 50 FFAA O=C(NCC1(C(=O)O)CCOCC1)c1cc(C2CC2)nc2ccccc12 191459473 OCLKBEMFIKHABY-UHFFFAOYSA-N 354.406 2.723 0 50 FFAA Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)c3nnnn3C3CC3)cc2)n1 192248878 NOIUFWFYRMIQBE-GFCCVEGCSA-N 364.413 2.656 0 50 FFAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2ccccc2C(=O)O)c(C)s1 1506397109 YWUUUAVPPXLYLT-VIFPVBQESA-N 354.453 2.840 0 50 FFAA CCOc1cccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1 1529187585 VIGMBPRBHGZKOA-TZIWHRDSSA-N 366.461 2.983 0 50 FFAA Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)N)C1 227187861 CZEXDJVAMKSLNB-RYUDHWBXSA-N 361.305 2.505 0 50 FFAA Cc1cc(O[C@H](C)C(=O)NCc2cccnc2)c2c(C)cc(=O)oc2c1 5244699 NYMLEOHBFDGXAC-CQSZACIVSA-N 352.390 2.889 0 50 FFAA COC(=O)CCNC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 11842391 GJDUCTZKJUXATJ-UHFFFAOYSA-N 368.389 2.720 0 50 FFAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCn2cccn2)C1 11873793 IPPXCVFSHAUYMA-FQEVSTJZSA-N 368.525 2.995 0 50 FFAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NC[C@H]1CCCO1 12073604 SWESOKROBPTULN-QGZVFWFLSA-N 357.454 2.863 0 50 FFAA Cc1ncoc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12301109 ALNWOJVMRLOJRK-HXUWFJFHSA-N 371.412 2.777 0 50 FFAA O=C(c1cn(CC2CCCCC2)nn1)N1CCN(c2ccc(F)cc2)CC1 12435894 LYVOMFSFNNQQLG-UHFFFAOYSA-N 371.460 2.960 0 50 FFAA COc1cccc(CN2CCN(C3Cc4ccccc4C3)CCC2=O)c1 14990793 RWJYKHFITYNNDA-UHFFFAOYSA-N 350.462 2.897 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CN3CCCC3=O)C2)cc1 15073944 MGFRCYPEPNAOQY-HXUWFJFHSA-N 371.525 2.588 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)Cc3nc(C)cs3)nc2)C1 19732604 BEZYRJGENZAOAK-HNNXBMFYSA-N 374.510 2.982 0 50 FFAA CNC(=O)CN1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857690400 ATMLYSUKJMFLIA-FQEVSTJZSA-N 373.541 2.694 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ncccc3F)C[C@]23CC[C@H]1O3)c1cccs1 1857734071 CLLXWBGDUZMJCE-FAYLSGKYSA-N 373.453 2.696 0 50 FFAA Cc1ccsc1C(=O)N1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3 1857736199 ZPVMPGZGOKBICS-QCBUCWTNSA-N 374.506 2.592 0 50 FFAA CC[C@@]1(C(=O)NCc2csc(C)n2)C[C@@H]2CC[C@H]1N2Cc1nccn1C 1875245128 LEADEQFWLXQUAL-FRQCXROJSA-N 373.526 2.635 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)o1 330660323 RXWVFHOWSBZMQQ-GFCCVEGCSA-N 351.350 2.520 0 50 FFAA O=C(NC1CCN(c2cccnn2)CC1)N1CCc2cccc(Cl)c2C1 334012199 WBHUYBVHSQCXEL-UHFFFAOYSA-N 371.872 2.867 0 50 FFAA O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2nccs2)C1 369966723 FCMURWFWVHPYMB-NSHDSACASA-N 369.368 2.831 0 50 FFAA Cc1nnc([C@@H](C)N2CC[C@@](C)(NC(=O)c3nccc4[nH]ccc34)C2)s1 1875332439 RSIUYKHPXLHCIV-ADLMAVQZSA-N 370.482 2.678 0 50 FFAA CO[C@@H](C(=O)N[C@](C)(CC(=O)O)c1cccnc1)c1ccccc1Cl 1875315715 FEAZMDCVDKMNOI-SJLPKXTDSA-N 362.813 2.929 0 50 FFAA CCc1cccc2ccc(CN[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)nc12 1875398456 QYPZUPDKSDJUDX-CWFSZBLJSA-N 350.466 2.923 0 50 FFAA Cc1ccc(N(CC2CC2)C(=O)c2cn(C[C@H]3CCCN3)nn2)cc1F 877089429 PMTKHGIKXWRWCB-OAHLLOKOSA-N 357.433 2.534 0 50 FFAA O=C(NCc1ccccc1F)N[C@H]1CCCN(C(=O)c2ccccc2)C1 1321369794 XWDUJGBTTVIHNL-KRWDZBQOSA-N 355.413 2.930 0 50 FFAA O=C(NCC[C@H]1CCCN(C(=O)Cc2cc(C3CC3)on2)CC1)C1CC1 2325867986 KWIPTVFGUXEZAP-CQSZACIVSA-N 359.470 2.640 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)cc(OC)c1OC 1136060 LLZUGRNMDDKGBV-ZDUSSCGKSA-N 354.790 2.500 0 50 FFAA CCOC(=O)c1nc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1 1515499 GBFVIFYBVAZAIA-UHFFFAOYSA-N 366.299 2.995 0 50 FFAA O=C(c1ccc2ccccn12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 2356151707 UZKLFXAZJNJHJQ-UHFFFAOYSA-N 363.417 2.626 0 50 FFAA CC(C)[C@@H]1CC(=O)c2nc(NC(=O)c3cnc4cnn(C)c4c3)oc2C1 2356169744 YBWITBHKTBDCNT-SNVBAGLBSA-N 353.382 2.610 0 50 FFAA COC(=O)c1sc(NC(=O)[C@H]2CCCO2)c(C(=O)OC(C)C)c1C 2763246 HABTWQJECZDRGK-SNVBAGLBSA-N 355.412 2.526 0 50 FFAA Cc1ccc(C[C@@H](C)NC(=O)NCc2ccccc2S(C)(=O)=O)s1 413306922 ZRUQQYDOVJGRFJ-GFCCVEGCSA-N 366.508 2.890 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 55755937 DIEBPSSEVGBLHG-OAHLLOKOSA-N 357.454 2.554 0 50 FFAA COc1ccccc1N1C[C@H](c2nc(-c3c(C)nn(C)c3C)c[nH]2)CC1=O 23506028 VLHWAMLFOQFLIV-CQSZACIVSA-N 365.437 2.956 0 50 FFAA O=C(Cn1ccc(-c2cccc(-c3nccs3)c2)n1)NC[C@@H]1CCCO1 20601695 NSECNNRHIWRIGR-INIZCTEOSA-N 368.462 2.969 0 50 FFAA C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cn2cnc3ccccc32)on1 67954898 ZUMUWHPRABGFAB-AWEZNQCLSA-N 361.405 2.829 0 50 FFAA CCNc1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc(C)n1 65363978 SHQTUOJIMQAKQD-UHFFFAOYSA-N 373.888 2.762 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328618171 DLPARZHTUTVXHM-GFCCVEGCSA-N 369.391 2.587 0 50 FFAA CC[C@@H]1CN(C(=O)c2coc(COc3cccc4cnccc34)n2)CCN1 67881825 KXMHDEHFORKZHM-OAHLLOKOSA-N 366.421 2.626 0 50 FFAA Nc1nc(S[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)n[nH]1 20096344 FQYIGDYLHYIHFU-AWEZNQCLSA-N 357.414 2.676 0 50 FFAA CCN(Cc1nc(COC)no1)Cc1cc(=O)oc2cc(C)c(C)cc12 65405463 BQKLJJCOSURECG-UHFFFAOYSA-N 357.410 2.961 0 50 FFAA C[C@@H](C(=O)NCCc1nccc(-c2ccccc2)n1)n1cc(Cl)cn1 65393866 HWLYLGPEWQHKIN-ZDUSSCGKSA-N 355.829 2.913 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)c1cc(C2CCNCC2)ncn1 67821141 HVXXBDDOOPZPCP-CQSZACIVSA-N 354.454 2.912 0 50 FFAA COC(=O)c1cccc2c1OCCN2S(=O)(=O)c1cc(C)ccc1C 252540531 PKPRVMBXTOKAJI-UHFFFAOYSA-N 361.419 2.678 0 50 FFAA C[C@H](C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780354 WYFQTJMKFHJVLG-MRVPVSSYSA-N 352.788 2.672 0 50 FFAA Cn1ncc2c(N3CC[C@@](O)(c4ccccc4)C3)nc(-c3cccnc3)nc21 72137162 UWSYHGAMJICQIF-NRFANRHFSA-N 372.432 2.523 0 50 FFAA c1ccc2c(c1)cnn2CCCn1ccnc1-c1cc2n(n1)CCCNC2 72430951 SFEICXLNNMRZMV-UHFFFAOYSA-N 361.453 2.680 0 50 FFAA Cc1ncccc1OC1(C(=O)O)CCN(Cc2coc(C(C)C)n2)CC1 72410021 GYXNTPBYHYPJPV-UHFFFAOYSA-N 359.426 3.000 0 50 FFAA COC(=O)[C@H](c1ccccc1)N1CCC2(CC1)Nc1ccccc1NC2=O 77438034 UMEMSXKPASXOJB-SFHVURJKSA-N 365.433 2.800 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)Cc3sc(C)nc3C)CC2=O)c1 77375594 OPGOMLDHBJGFJN-UHFFFAOYSA-N 371.506 2.790 0 50 FFAA COC[C@H](C)n1c(CCCC(=O)N2CCSCC2)nc2cccnc21 77525246 KUHHKFSJPQXPTB-AWEZNQCLSA-N 362.499 2.537 0 50 FFAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1c[nH]c3ccccc13)C2 72162356 CZHONUIRWWFPNB-UHFFFAOYSA-N 363.465 2.850 0 50 FFAA Cc1nn(C)c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1Cl 72174608 SFGCHAWUMMWWKA-QGZVFWFLSA-N 372.900 2.697 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@H]2CCO)cc1C 39364888 ZOYACOBPEZRJCR-OAQYLSRUSA-N 369.509 2.776 0 50 FFAA O=C(CCn1cccn1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 216016282 WLCVVSUJCSFJKL-UHFFFAOYSA-N 355.829 2.902 0 50 FFAA CN1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2O)CC1 77471523 IKAALSJTVYHSLK-UHFFFAOYSA-N 367.236 2.544 0 50 FFAA NC1CC(c2cc(N3CCC(C(=O)NC4CCCCCC4)CC3)ncn2)C1 223155854 JSSBIZZORWVKAG-UHFFFAOYSA-N 371.529 2.737 0 50 FFAA COCc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc(C(=O)O)c1 263072026 JWQMZKJCPIAZJM-UHFFFAOYSA-N 368.393 2.682 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2nc3ccc(Cl)cn3c2F)C1 82167101 VAISHHZTOXKCRI-NSHDSACASA-N 361.808 2.880 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3CCN(CCCCO)CC3)cc2)c1 223797835 GAKDVCUQIFGQNK-UHFFFAOYSA-N 368.477 2.893 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N1CCCC[C@@H]1CCn1ccnc1 223727329 JDCHWUHJUAIWAH-QGZVFWFLSA-N 364.449 2.669 0 50 FFAA CN(C)c1ccc(CCC(=O)N2CCC(CCN3CCCC3=O)CC2)cc1 82096860 RPXJDQNWUMCXPP-UHFFFAOYSA-N 371.525 2.936 0 50 FFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN4CCC[C@@H]4C3)sc21 20616005 HZPSKJBQLYBQCZ-SECBINFHSA-N 358.389 2.574 0 50 FFAA CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40396066 PWHPKKRDCVSBMH-UHFFFAOYSA-N 369.812 2.926 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CCCC[C@H]2CCn2ccnc2)cc1 82096642 VOCLOZZQFQZFGH-SFHVURJKSA-N 355.438 2.936 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2ccc(CN3CCOCC3)cc2)o1 96179822 KEPYBJVYDFBQKY-UHFFFAOYSA-N 373.457 2.518 0 50 FFAA CCCn1cc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)nn1 95523995 DJVKWISOGSWPTE-JTQLQIEISA-N 373.383 2.670 0 50 FFAA Cc1nnc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)o1 91547818 NFMOYEZUABZNSW-OAHLLOKOSA-N 356.426 2.513 0 50 FFAA Cc1nc([C@H](C)N(C)Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)c(C)s1 91536406 MZEOJWHBIKPMIV-JTQLQIEISA-N 370.478 2.893 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@@H](C)[C@](O)(C4CC4)C3)n2)c1 91724650 CXKFMRZZVFQXIJ-VFNWGFHPSA-N 369.465 2.987 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2nc(-c3ccccc3)[nH]c2C)on1 97785368 GQCCCRPJSPDZOA-WBVHZDCISA-N 366.421 2.669 0 50 FFAA CC(C)c1nnc2n1CCN(Cc1cc(O)c3cccc(F)c3n1)CC2 91586723 RPMHDNMNCIVPQZ-UHFFFAOYSA-N 355.417 2.853 0 50 FFAA O=C(NC[C@@]1(O)CCCNC1)c1cccc(-c2nccc3ccccc23)c1 426513622 ISKFJJVNEVODFS-JOCHJYFZSA-N 361.445 2.746 0 50 FFAA COc1cc(NC(=O)N2CCC3(CC2)COC(=O)O3)c2ncccc2c1 95517779 OIQXSFBGMJXNMZ-UHFFFAOYSA-N 357.366 2.777 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1noc3c1CCCC3)CO2 91713748 QPORFSZCIITDJE-AWEZNQCLSA-N 356.422 2.772 0 50 FFAA COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](C)NC(=O)[C@@H]1C3 231390513 XDVXQQDQFWVCAU-GOPGUHFVSA-N 355.438 2.535 0 50 FFAA O=C(N[C@H](Cc1ccncc1)C(=O)O)c1csc(Cc2ccccc2)n1 95517475 RETIIOQHNCUAIE-OAHLLOKOSA-N 367.430 2.555 0 50 FFAA O=C(Nc1ccc(OCc2cccs2)cc1)N1CCOC[C@H](CO)C1 95500974 DEKMOYBGGIDACD-AWEZNQCLSA-N 362.451 2.800 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cn2ccnc12 296733652 CIBVAWARJPTXLS-CQSZACIVSA-N 365.441 2.592 0 50 FFAA O=C1CCC2(CCN(Cc3nccs3)CC2)CN1[C@H]1CC[C@H](O)CC1 243892373 AHDZVZIXJZDGDM-WKILWMFISA-N 363.527 2.651 0 50 FFAA CCOc1cc2c(cc1OCC)CN(C(=O)c1ccc(C(=O)O)nc1)CC2 298163499 XFRIEUMGKHXWHN-UHFFFAOYSA-N 370.405 2.776 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 299753575 YRRSHQGPZDBKAN-LJQANCHMSA-N 364.401 2.615 0 50 FFAA O=C(NC1CCNCC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl 261494933 VDIMMALXMCKSMD-UHFFFAOYSA-N 357.710 2.714 0 50 FFAA CCCN(CC1CC1)C(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 263619548 ZEOWXFHLVFSHGH-SFHVURJKSA-N 370.453 2.820 0 50 FFAA CCc1noc(-c2ccccc2NC(=O)NC[C@H](CC)N2CCOCC2)n1 299802684 NIGJJVQRYJTWNA-AWEZNQCLSA-N 373.457 2.531 0 50 FFAA CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC(C)C)C2 299777328 OIHQESQPNGWERD-MNOVXSKESA-N 351.472 2.788 0 50 FFAA CCc1oc(C(=O)N2Cc3nc(C)nc(O)c3C2)cc1CN(CC)CC 299771456 XNEPWASLQQMAGL-UHFFFAOYSA-N 358.442 2.644 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1cccnc1)Cc1cccnc1 827884187 ROBMBNGAKAZYKJ-UHFFFAOYSA-N 363.465 2.989 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccc(CO)o2)C1)c1cccc2cc[nH]c12 828827024 KDOGZPMEIFGEDU-OAHLLOKOSA-N 367.449 2.895 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@@H](C)Oc1ccccc1OC 952971117 XBEISQCVYFYLCB-CYBMUJFWSA-N 368.393 2.691 0 50 FFAA Clc1cnc(N2CC[C@@H](CN3CCOCC3)C2)c(Br)c1 170603442 ZGCVZSYSXITLAD-NSHDSACASA-N 360.683 2.656 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)Nc2cccc(COCC3CC3)c2)cn1 189416421 RWFQMPAQTDGFJH-RBUKOAKNSA-N 370.453 2.998 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)CCO2)cn1 191795355 DEPPBIJBYVCCIR-LJQANCHMSA-N 350.422 2.907 0 50 FFAA Cc1ccn(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c(=O)c1 194752959 GSRHEIAHEIDSAR-HNNXBMFYSA-N 359.857 2.595 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3C[C@H](Cc4ccccn4)[C@@H](O)C3)c2)n1 1616080082 SDWGXPFQVRANSR-UGKGYDQZSA-N 362.477 2.920 0 50 FFAA Fc1cnc(NCc2coc(-c3ccccc3)n2)nc1N1CCOCC1 1529197874 YONJIWYREDJPTL-UHFFFAOYSA-N 355.373 2.719 0 50 FFAA O=C(CCCn1cncn1)N1CCCN(Cc2cc3ccccc3o2)CC1 1529125132 LSFXMEUJVBUZAF-UHFFFAOYSA-N 367.453 2.539 0 50 FFAA Cc1nnc(SCC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)o1 220069670 KMWYAXBYIQUUMF-SJORKVTESA-N 372.494 2.593 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c1 1772710325 PSGWFOSMTCKHDQ-SFHVURJKSA-N 366.461 2.722 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)n[nH]1 11936208 XAARLUYQUBUVQN-HXUWFJFHSA-N 370.428 2.512 0 50 FFAA O=C1CCN(C(=O)[C@H]2CCCO2)CCN1Cc1ccc2ccccc2c1 12244850 JJVJKGJYNGOZKI-LJQANCHMSA-N 352.434 2.580 0 50 FFAA COc1cccc(C[C@@H]2CN(C(=O)c3ccccc3N(C)C)CCO2)c1 12443307 YMZVSARYSAZQFI-GOSISDBHSA-N 354.450 2.845 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCC(=O)N(Cc3ccccc3)CC2)s1 14975277 IFLUNKIVYYIARA-UHFFFAOYSA-N 356.447 2.825 0 50 FFAA CSCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 15069475 PUVBSBLTFKJBQZ-CYBMUJFWSA-N 370.902 2.902 0 50 FFAA CCc1nnc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 16468232 NGXFMHCQXVJVAH-LBPRGKRZSA-N 362.430 2.731 0 50 FFAA COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccccc2)cc1 16578701 FUYPUEJCUZOXBW-KRWDZBQOSA-N 362.393 2.609 0 50 FFAA Nc1nc2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)ccc2s1 19229335 NMYIMAGFYPQVFN-UHFFFAOYSA-N 372.475 2.538 0 50 FFAA COc1cc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc(Cl)c1OC 1857690119 AVBLKCCHJIWWIU-CYBMUJFWSA-N 369.845 2.670 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@]23CC[C@H]1O3 1875242769 ASGIBLWDSWNUTR-XWDORNJCSA-N 370.472 2.552 0 50 FFAA CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(F)ccc32)cc1 125148917 KQAIPPXMBUNJRX-KRWDZBQOSA-N 355.369 2.526 0 50 FFAA CCN(CC)C(=O)c1cn(C2CCN(Cc3ccccc3OC)CC2)nn1 11812803 KNPYDNJJECOIRW-UHFFFAOYSA-N 371.485 2.606 0 50 FFAA CC(=O)N1CC[C@@]2(O)CCN(Cc3cc(F)ccc3C(F)(F)F)C[C@H]2C1 247917133 GITQGFAUWOBGIG-YOEHRIQHSA-N 374.378 2.650 0 50 FFAA Cc1ccccc1C1(C(=O)N2CCC[C@H](N3CCNC3=O)C2)CCCC1 368276439 JQPGJPUGUQPMHM-KRWDZBQOSA-N 355.482 2.823 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3CC(=O)O)n2)cc1F 262917383 KBPJAEVTKZAHHI-ZDUSSCGKSA-N 361.373 2.582 0 50 FFAA CCCN1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 267399998 YGQNSYIIYIZEKL-TYPHKJRUSA-N 372.557 2.928 0 50 FFAA Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 804513173 FXAKUIISWGPMSD-OXQOHEQNSA-N 353.466 2.795 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c(C)n1Cc1ccccn1 907953547 RDGYDQBETHMZDF-STEAMIEHSA-N 367.449 2.777 0 50 FFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2ncnn2C(C)(C)C)cc1 818024354 LILFMWMJVQZICE-YLJYHZDGSA-N 358.486 2.914 0 50 FFAA O=C1CC2(CCCCCC2)N(C(=O)c2ccc(OCC(F)F)nc2)N1 825686351 FDPOJWJORZYRCE-UHFFFAOYSA-N 353.369 2.696 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1Cc1ccc2c(c1)COCC2 1875398754 DHPYEBOCMQOOCA-ROUUACIJSA-N 354.454 2.567 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4O)[nH]n3)C[C@H]2C1 2100537494 OKDUTIIWWUXCML-GEEKYZPCSA-N 368.481 2.973 0 50 FFAA NCc1ccc2c(c1)CCC[C@@H]2NC(=O)Cn1ccc(=O)c2ccccc21 2325774945 JVERHKAHRIZYTJ-IBGZPJMESA-N 361.445 2.654 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)N2CCn3ccnc3[C@@H]2C)cc1 2325780993 AESBIZMSOPAJLU-AWEZNQCLSA-N 350.426 2.664 0 50 FFAA CCCN(CCNC(=O)C1(C(C)C)CC1)C(=O)Cc1ccc2n[nH]cc2c1 2325793016 BYTLIMHFDXDEQM-UHFFFAOYSA-N 370.497 2.896 0 50 FFAA Cc1cc(C)n(-c2ccc(-c3noc(CC4=CCN(C)CC4)n3)cn2)n1 2325801580 NZFDCSGSMADSET-UHFFFAOYSA-N 350.426 2.739 0 50 FFAA O=C(Cc1ccc(Cl)c2cccnc12)NC1CN(c2ccncc2)C1 2325858052 ZWEVYRKOEWKWIQ-UHFFFAOYSA-N 352.825 2.831 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOC[C@@H]2c2cccc(Cl)c2)CC1 2325887879 UXRXEXZSCBPAEE-QGZVFWFLSA-N 362.857 2.665 0 50 FFAA CN(Cc1ccccc1)C[C@@H](O)CNCc1cnc(O)c2ccccc12 905531453 GTEFDECJGVNKRT-SFHVURJKSA-N 351.450 2.523 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]1N1C(=O)c2ccccc2C1=O 672721 UWFSWSSYDYLUBT-QZTJIDSGSA-N 374.396 2.890 0 50 FFAA C[C@@H](O)Cn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2F)[nH]n1 2356144075 IPXNDKDBCLKRRX-GFCCVEGCSA-N 371.416 2.749 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)NC13CC4CC(CC(C4)C1)C3)C(=O)CO2 10682573 LQBQIVFZOGHODC-UHFFFAOYSA-N 354.450 2.805 0 50 FFAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 55565634 LNPQSISUNJYLDM-UHFFFAOYSA-N 361.392 2.734 0 50 FFAA COc1ccc(CCNc2nc(NCCO)c3ccccc3n2)cc1OC 29078486 DZXLNUKZQBRWHU-UHFFFAOYSA-N 368.437 2.706 0 50 FFAA biogenic O=C1CCC[C@H]2[C@@H]3C[C@H](CN(c4nccc(CCC(F)(F)F)n4)C3)CN12 101939834 XWMBHIAGPXBNJI-NFAWXSAZSA-N 368.403 2.809 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67856066 PNBDPCHNZGBNMB-NSHDSACASA-N 363.425 2.639 0 50 FFAA Cc1cccc(-n2nc(-c3ccccc3)nc2[C@H](C)NS(C)(=O)=O)c1 65417684 KHAAWGQCEIQWFU-AWEZNQCLSA-N 356.451 2.853 0 50 FFAA O=C(O)CSc1nnc(Cn2cccn2)n1-c1cccc2ccccc12 65383767 OUGDTSZMUPIZCI-UHFFFAOYSA-N 365.418 2.842 0 50 FFAA CCCc1cc(C(=O)N2CCC(c3nn(C)c(=O)n3CC)CC2)cs1 67847266 POQXXFNSTUOOCK-UHFFFAOYSA-N 362.499 2.636 0 50 FFAA CC[C@H]1CN(C(=O)NCC(C)(C)c2cccs2)CCN1CCOC 117497506 CSPOOJRPMJHAKB-HNNXBMFYSA-N 353.532 2.778 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c2ccc(F)cc2n1 67770336 GJHXZPZERBWWGD-HXUWFJFHSA-N 355.413 2.767 0 50 FFAA Cn1cc(CN(C(=O)c2cc(COc3ccccc3)[nH]n2)C2CC2)cn1 67713231 AWFIEMXPNJESRK-UHFFFAOYSA-N 351.410 2.527 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CCCC[C@@H]2c2nccs2)cc1 65397084 UTMPDDGCMCXDTF-QGZVFWFLSA-N 372.494 2.945 0 50 FFAA CCn1ncnc1CN1CCC(O)(c2ccc3nc(C)ccc3c2)CC1 67909133 DYJPSMFFLVWNBR-UHFFFAOYSA-N 351.454 2.638 0 50 FFAA Cc1noc(C)c1CNc1nc(-c2ccco2)nc2c1CCN(C)CC2 72447725 LRETVXLQGVQCER-UHFFFAOYSA-N 353.426 2.984 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@@H](O)c2ccccc2F)n1C 328632566 LKVQZGOAEWXMBI-IEBWSBKVSA-N 359.445 2.784 0 50 FFAA CC(C)(CNC(=O)N1CC[C@H](O)C(C)(C)C1)c1ccc2c(c1)OCCO2 331955380 ABAAEFQSTCWODZ-KRWDZBQOSA-N 362.470 2.538 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)co1 153060631 DXPRCIBERDSTBS-UHFFFAOYSA-N 362.451 2.609 0 50 FFAA Cc1c(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)sc2ccccc12 72130651 XERUAEUDFZBGOU-UHFFFAOYSA-N 368.462 2.558 0 50 FFAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(C2CC2)no1 369073351 CAWZYXXALLNPFU-UHFFFAOYSA-N 354.410 2.978 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 156870947 WCXBRQCGSTUYCO-HOCLYGCPSA-N 368.437 2.504 0 50 FFAA O=C1CC[C@H](CC(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CN1 333520822 NWLMYTVJPJEHRS-UZNLNLPZSA-N 374.510 2.861 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccn3)C[C@@H]2CCO)c(C)c1C 39442608 VXMGVEMKQRNMMA-NRFANRHFSA-N 369.509 2.776 0 50 FFAA CCOc1cc(CN2CCC(N3CCC(O)CC3)CC2)cc(Cl)c1O 72420970 VBNOEMKZZDYGRP-UHFFFAOYSA-N 368.905 2.865 0 50 FFAA CC[C@H]1CN(C(=O)c2ccnc(NC)c2)CCC(=O)N1Cc1ccccc1 71776041 FLJKRTAWZODFEN-SFHVURJKSA-N 366.465 2.777 0 50 FFAA COCCCN1C[C@@]2(CCCN(c3cnc4ccccc4n3)C2)CCC1=O 72439282 NVJAPISGNPVZDO-NRFANRHFSA-N 368.481 2.875 0 50 FFAA COc1cc2nc(-c3ccc(CCC(=O)O)cc3)nc(N)c2cc1OC 214992438 YWJGMOUZSLNFQS-UHFFFAOYSA-N 353.378 2.913 0 50 FFAA O=C1C[C@@H]([C@H]2CCCCN2C(=O)Cc2cccc(OC(F)(F)F)c2)CN1 131198722 JUOPQXSULQQDFD-UKRRQHHQSA-N 370.371 2.645 0 50 FFAA CNC(=O)N1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 283644383 CCZFRRHRGMENIQ-UHFFFAOYSA-N 352.438 2.766 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)COc1ccccc1)[C@H]1C[C@H](O)C1 222588353 GWLAIKUTFARMAG-AGKSTNPPSA-N 359.397 2.842 0 50 FFAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 242178785 XAVVBRCJNXXKAX-ZENOOKHLSA-N 357.385 2.688 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CN1CCOc2ccccc2C1 222271203 YBKWKMBDJRLVBQ-HNNXBMFYSA-N 357.479 2.840 0 50 FFAA O=C(Nc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1)C1CC1 290767235 RBAYXBFYBPYWHZ-INIZCTEOSA-N 358.829 2.972 0 50 FFAA CCCN(Cc1cccc(OC)c1)C(=O)NCCc1nc(C)cc(O)n1 426442542 MBNNDPIGEZYMTF-UHFFFAOYSA-N 358.442 2.664 0 50 FFAA Cc1cc(N2CCCN(C(=O)NC[C@H]3CCN(CC(C)C)C3)CC2)ccn1 426489952 CGGLTJXLXQHDEL-LJQANCHMSA-N 373.545 2.590 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 82091716 MHWPDIXEYUDUAN-SFHVURJKSA-N 351.450 2.680 0 50 FFAA COc1cccc(C(=O)N(C)C)c1OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 177558319 SHQCMIGVHCKDPI-WBVHZDCISA-N 374.481 2.957 0 50 FFAA COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2nc(C)no2)CC1 177622818 JZJYQTWBMNFCAD-INIZCTEOSA-N 356.426 2.963 0 50 FFAA CN1CCC(N(C)C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20617075 PXZCJMNTNYJBSN-UHFFFAOYSA-N 360.405 2.820 0 50 FFAA CC(=O)N1CCC(NC(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)CC1 426409164 VULCQPBYSIJXOC-FQEVSTJZSA-N 373.497 2.697 0 50 FFAA O=C(NCc1cc(-c2ccccn2)no1)[C@@H](c1cccnc1)N1CCCC1 95378073 RDLRFTXFDICNIB-LJQANCHMSA-N 363.421 2.585 0 50 FFAA CC(C)c1n[nH]c2c1CN(C(=O)c1cc(-c3ccccc3O)n[nH]1)CC2 91460010 HVOLOJOOQUDHPN-UHFFFAOYSA-N 351.410 2.827 0 50 FFAA O=C(CCc1cn2ccccc2n1)NCc1csc(N2CCCC2)n1 97463697 SXWIQFVXIMQGKY-UHFFFAOYSA-N 355.467 2.640 0 50 FFAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2cc(O)nc(N)n2)cc1 426612214 CFDWXVWVAFAKOM-MRXNPFEDSA-N 370.453 2.853 0 50 FFAA CC(C)(C)n1nc(-c2ccncc2)nc1-c1cccc(OCC(N)=O)c1 96149497 HJATVZOSVBNBBA-UHFFFAOYSA-N 351.410 2.626 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)c1ccc2sc(C)nc2c1 97515003 DNLWWDMBPOYJMH-LLVKDONJSA-N 359.455 2.724 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCC[C@H]1c1nccs1 91254320 CXKHSRMYOFXJTK-ZDUSSCGKSA-N 353.407 2.678 0 50 FFAA O=C(NCCc1nc2ccccc2s1)[C@H]1CC(=O)N(C2CCCC2)C1 91594542 HPYFHYPLWNADDX-ZDUSSCGKSA-N 357.479 2.746 0 50 FFAA O=C(c1ccc(OC2CCN(CCc3ncc[nH]3)CC2)cc1)N1CCCC1 95508318 BIYWJVBFIUFTIN-UHFFFAOYSA-N 368.481 2.732 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nc3ccccc3o1)C2 95371839 KMFUGBZTPHJZDU-AWEZNQCLSA-N 352.390 2.746 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(Cc1cc(F)cc(F)c1)CC2 91914958 AFSSDMYMRRTTKI-UHFFFAOYSA-N 365.468 2.731 0 50 FFAA Cc1cccc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1 91548432 ZCIHZFRTFDQOGD-SFHVURJKSA-N 350.470 2.748 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 245310093 HNXVNLIYTRBZOT-WTGUMLROSA-N 364.445 2.919 0 50 FFAA O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)N1CCOc2cc(O)ccc2C1 297393850 FRDFVJHACDWYQN-WMZOPIPTSA-N 369.421 2.612 0 50 FFAA CC(C)[C@@H](CNC(=O)N1CCC(Oc2ccccc2F)CC1)N(C)C 534676837 MMZPNAAFERKSPN-QGZVFWFLSA-N 351.466 2.965 0 50 FFAA Cn1cc(C(=O)N2CC(=O)Nc3ccccc3[C@@H]2c2ccccc2)ccc1=O 65456738 VPKBENNQRSSCEX-NRFANRHFSA-N 373.412 2.569 0 50 FFAA Cc1cc(C(=O)NCCc2noc(C3CCCC3)n2)c2c(C)noc2n1 299796366 MFKPXSODPRVNMJ-UHFFFAOYSA-N 355.398 2.853 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cccc(-c3cc(N)ncn3)c1)C2 299779648 IEYDOPCXRAZRAZ-UHFFFAOYSA-N 374.448 2.969 0 50 FFAA O=C(NCCN1CCC(c2ccccc2)CC1)Nc1cccc2[nH]nnc12 299760934 QCCBMQJLGLTXBN-UHFFFAOYSA-N 364.453 2.959 0 50 FFAA COc1cc(OC)cc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c1 824571972 CNVDIZXMHVLGBY-UHFFFAOYSA-N 359.455 2.679 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2ncc(F)c(OC)n2)c1 584903116 YKLHDTGFNDRFBT-OAHLLOKOSA-N 359.401 2.932 0 50 FFAA Cc1cn2cc(CC(=O)N[C@@H](C)c3ccc4nc(O)oc4c3)nc2s1 1461921368 ZHIOHFPBJGMQAO-JTQLQIEISA-N 356.407 2.971 0 50 FFAA CSc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc1 1565513930 BWEODKLOWNUEGR-HOTGVXAUSA-N 364.492 2.969 0 50 FFAA CCn1ccc(CN2CCC[C@H](CNC(=O)Cc3ccccc3C)C2)n1 952989601 XRUAJYASSHZJQA-GOSISDBHSA-N 354.498 2.782 0 50 FFAA O=C(Nc1cccnc1-c1ccc(Cl)s1)N[C@@]1(CO)CCOC1 189533739 RFQLOYAIOZZQSF-OAHLLOKOSA-N 353.831 2.736 0 50 FFAA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H]1CCCc2c(O)cccc21 190171764 AYBVFTLDEHOZFM-ZWKOTPCHSA-N 368.433 2.713 0 50 FFAA O=C(Nc1ccccc1)Nc1ccc(C(=O)NS(=O)(=O)C2CCC2)cc1 774283904 CNUAZKMZFXXDKX-UHFFFAOYSA-N 373.434 2.943 0 50 FFAA C[C@@H](OC(=O)c1cnnn1-c1cccc(F)c1)C(=O)N(C)c1ccccc1 789106473 SRPAHHWLHMYPAQ-CYBMUJFWSA-N 368.368 2.615 0 50 FFAA CCC1=NO[C@H](CN2CCCN(C(=O)Cn3ccc4ccccc43)CC2)C1 1529178112 IXTKXSNPPDTZLR-IBGZPJMESA-N 368.481 2.731 0 50 FFAA CC1CCN(CC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1529189748 XCJZGNXNUOMRFH-NQIIRXRSSA-N 367.493 2.640 0 50 FFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C1CCN(C(=O)C3CCC3)CC1)C2 1704336813 QHWGJECHLRYFDG-WIYYLYMNSA-N 362.514 2.833 0 50 FFAA CC1=CC2(CCN(S(=O)(=O)N(C)Cc3ccccc3)CC2)OCC1 1704304293 PZAZWWZSGGMOIW-UHFFFAOYSA-N 350.484 2.564 0 50 FFAA CCCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC=C(C)C 212689457 KGYDJAPFTYQZBK-KGLIPLIRSA-N 362.499 2.520 0 50 FFAA COc1ccc(CN2CCC[C@@](CO)(CN(C)C)C2)c2c(OC)cccc12 1772712065 GRXRFNVITJPBIW-JOCHJYFZSA-N 372.509 2.993 0 50 FFAA O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1F 12184588 QBZFKSBWIDZDBK-IBGZPJMESA-N 362.376 2.846 0 50 FFAA O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H](O)C1 12304240 FRTHYEOXNWSBDO-GFCCVEGCSA-N 370.327 2.869 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 12373448 XPVBCWDVPZSNHU-UHFFFAOYSA-N 361.829 2.748 0 50 FFAA Cc1nnc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)o1 12385206 ABSPLYDBMICQKI-UHFFFAOYSA-N 368.393 2.754 0 50 FFAA O=C1O[C@@H]2CN(Cc3nccs3)C[C@@H]2N1CCCc1ccc(F)cc1 15077926 OIJZGJCXVHHNLT-JKSUJKDBSA-N 361.442 2.920 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(OC)cc3OC)CC2)c1 19564577 HYQABUZUIMVPCP-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA CC(C)[C@H]1CN2C[C@@H](NC3CCN(c4ccc(F)cc4)CC3)C[C@H]2CO1 1857688520 NTUTYQHVNGMJCG-SESVDKBCSA-N 361.505 2.882 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3ncc(C(=O)O)cc3Cl)CC2)O1 1857695830 ZOIKNXGMJXDLTL-UKRRQHHQSA-N 368.861 2.968 0 50 FFAA Cc1cc(C)c2c(CC(=O)N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)coc2c1C 1857723647 PBQBIGKEGYNXII-QGTPRVQTSA-N 356.466 2.878 0 50 FFAA O=S(=O)(Nc1ncccn1)c1cccc2cncc(Br)c12 225744288 REMOBSRMWNTJSB-UHFFFAOYSA-N 365.212 2.588 0 50 FFAA CCC(=O)N1CC[C@@H](NC(=O)NCc2ccnc(OC3CCCCC3)c2)C1 129178695 MGBGIMHIYFIHGV-MRXNPFEDSA-N 374.485 2.603 0 50 FFAA CC(C)S(=O)(=O)c1cccc(C(=O)N2Cc3ccc(C(=O)O)cc3C2)c1 910040373 XULAUHOSTZMSDH-UHFFFAOYSA-N 373.430 2.723 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cnc(Cl)nc2)CC1 1857779163 XANVVMUXMLOXRK-HAQNSBGRSA-N 354.838 2.696 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)C(=O)N[C@@H](c1ccncc1)C1CC1 1875288760 BTKYKGWTINIPGQ-OAHLLOKOSA-N 367.434 2.601 0 50 FFAA COc1ccccc1OC1CN(C(=O)c2cc(O)nc3ccccc23)C1 1875336595 CEVTZHLIFCWJPO-UHFFFAOYSA-N 350.374 2.852 0 50 FFAA CCCN(CCC)C(=O)CCn1cc(C(=O)c2ccc(OC)cc2)nn1 1875356126 GRGDHQOUAGVLRS-UHFFFAOYSA-N 358.442 2.556 0 50 FFAA Cc1c(C(=O)NS(=O)(=O)c2c[nH]c3ccccc23)ccn1CC1CC1 1875341427 SKPCVHPVAIVLLS-UHFFFAOYSA-N 357.435 2.807 0 50 FFAA COc1ccccc1[C@H](NC(=O)c1cc(CN(C)C)on1)c1ccco1 1324348951 STYXFMXCCAAVSP-SFHVURJKSA-N 355.394 2.857 0 50 FFAA C[C@@](O)(CSc1cccc(F)c1)C(=O)Nc1ccc2ncnc(O)c2c1 2325719442 LXILWROXSYAAIP-GOSISDBHSA-N 373.409 2.956 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C[C@@H](O)COc2cccc(C(=O)O)c2)C3)cc1 2325803018 JGEWJLQOQWMEAN-NNMXDRDESA-N 367.445 2.706 0 50 FFAA C[C@@H]1C[C@@H]1c1noc(CC2CCN(Cc3nc4ccncc4n3C)CC2)n1 2325809262 VVVICALPWKWJFT-HIFRSBDPSA-N 366.469 2.929 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(C(N)=O)c1F 2325864212 IXHMQZCXYFVUNB-UHFFFAOYSA-N 367.380 2.861 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@](O)(c3ccccc3F)C2)cc1 2325890171 HYNDFDQFHZMTHG-OAQYLSRUSA-N 368.408 2.708 0 50 FFAA COC(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1 869391416 GPYNYQUNRFHSAB-MRXNPFEDSA-N 374.824 2.744 0 50 FFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)NC(=S)N1 1134535 TWBCIYTXVJEMFF-MRXNPFEDSA-N 364.467 2.840 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(Cl)c(F)c2)C1=O 2356166353 UOQBBKHDJXWABF-GOSISDBHSA-N 368.836 2.723 0 50 FFAA O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Br 4636306 ILPCMKHMYPICTQ-UHFFFAOYSA-N 370.224 2.626 0 50 FFAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O 4998778 CGQOGURMIRMKPG-NWDGAFQWSA-N 369.259 2.579 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC[C@@H]1CCCCO1 110214185 DDGHRVNPSPRQRK-HNNXBMFYSA-N 351.468 2.719 0 50 FFAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3cnn(C)c3)C2)cc1 20204269 ANWGXLWFCWMWQW-IBGZPJMESA-N 356.514 2.815 0 50 FFAA C[C@@H]1CC[C@@H](CCC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)O1 246646226 CTUJJJUMRCXQGK-FMKPAKJESA-N 353.484 2.957 0 50 FFAA Cc1nc(CC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cs1 116659352 DOXULVYRYZUAHG-GFCCVEGCSA-N 367.421 2.991 0 50 FFAA Cc1cccc([C@H](C(=O)NC2CCN(Cc3ccccn3)CC2)N(C)C)c1 65372733 SEKPIYVBNMYGIY-OAQYLSRUSA-N 366.509 2.774 0 50 FFAA CCc1nc(CN(C)C(=O)c2coc(COc3ccccc3F)n2)no1 67688723 XFVOIVQUPBCSCH-UHFFFAOYSA-N 360.345 2.610 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 20907844 TUKPUXWDBUQAFV-FQEVSTJZSA-N 373.497 2.628 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 23337562 ZHHSQTNLHMUBHI-IBGZPJMESA-N 370.541 2.817 0 50 FFAA C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1ccc2c(c1)CCO2 252533031 FTMHRVLZONAIID-HNNXBMFYSA-N 368.433 2.595 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCN2c2cc(C3CCNCC3)ncn2)s1 39516229 AVRDOZBVKBKNQF-HNNXBMFYSA-N 371.510 2.706 0 50 FFAA O=C1C[C@@H](c2cccc(Cn3cccn3)c2)c2c(nc3ccccn23)CN1 65469738 YAWQNCKYXBFGGO-KRWDZBQOSA-N 357.417 2.731 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 72163190 OPYGOVDGRRESRN-LJQANCHMSA-N 352.482 2.750 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 77422788 FAVIRZZNAZNMCQ-LJQANCHMSA-N 363.461 2.909 0 50 FFAA O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(O)nc3nc4ccccc4n3c2N1 4624512 UHRLDTMDDHQPIV-LLVKDONJSA-N 374.356 2.791 0 50 FFAA CCc1ccc(-n2ccc3c(cnc4c(C(=O)OC)c(C)nn43)c2=O)cc1 71385386 IZQMANBMROIWJY-UHFFFAOYSA-N 362.389 2.691 0 50 FFAA Cc1cc(C)cc(OCC(=O)N2CCN([C@H](C)c3nnc(C)s3)CC2)c1 329646465 BCCDXOGVSWPHAE-OAHLLOKOSA-N 374.510 2.748 0 50 FFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ccncc2F)CC1 72480827 ZQHDCOATLGFYKE-UHFFFAOYSA-N 356.357 2.758 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 219960765 OCGHFPYECYSFIJ-UHFFFAOYSA-N 371.828 2.566 0 50 FFAA O=C(c1cccc(N2CCCNC2=O)c1)N1CCOc2cccc(F)c2C1 367305714 QJQYKGHYENVRIJ-UHFFFAOYSA-N 369.396 2.780 0 50 FFAA Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 370333676 KEVPLXUJRCIZIH-KRWDZBQOSA-N 365.355 2.740 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1 72439539 DUZWIPKEQAHTSQ-NRFANRHFSA-N 366.465 2.763 0 50 FFAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)COc2ccccc2-c2ccccc2)C1 263163414 VQLDLUGLOHVUPD-IAGOWNOFSA-N 369.417 2.823 0 50 FFAA Cc1cc(C(=O)NC2CCN(C(=O)CCC3CCOCC3)CC2)c(C)o1 173021997 DLUINENBGDGSLM-UHFFFAOYSA-N 362.470 2.824 0 50 FFAA COc1ccccc1O[C@@H](C)CNC(=O)N1CCOC[C@@H](C2CCC2)C1 332973212 CYEWWAZSCYMNHZ-RDJZCZTQSA-N 362.470 2.921 0 50 FFAA CC(C)c1cc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)nn1C(C)(C)C 236881556 ORYCTYLHCINCMT-CQSZACIVSA-N 365.474 2.857 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c(C)c1 72426976 GGDUIQXVUOWQCA-IBGZPJMESA-N 370.493 2.981 0 50 FFAA CN(C)S(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 375191497 IRQMALYQYJGOCP-AWEZNQCLSA-N 366.405 2.569 0 50 FFAA Cn1ncc2c(NCc3cn4ccsc4n3)nc(-c3ccncc3)nc21 72161185 NKRLBADZYYWXOF-UHFFFAOYSA-N 362.422 2.747 0 50 FFAA CNc1nc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cs1 72171277 AXHQFBKFQIFHLQ-INIZCTEOSA-N 356.495 2.500 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc([C@H]2CCOC2)c1 262929352 FVMCAAZOOGDUKH-HKUYNNGSSA-N 367.401 2.681 0 50 FFAA COC[C@H](NC(=O)N1C[C@@H](C)C[C@@H](C(=O)O)C1)c1cccc(Cl)c1 263337998 MVTVHCQSNDDECV-LNSITVRQSA-N 354.834 2.780 0 50 FFAA COc1ccc(CCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)O)cc1F 263496916 YAFQFDQRMCZIGP-QGZVFWFLSA-N 359.397 2.921 0 50 FFAA COCCN1CC[C@H](CNCc2cnc(-c3ccc(Cl)cc3)nc2)C1 131540538 QVDZTTOEOWROSQ-OAHLLOKOSA-N 360.889 2.855 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nn1 48090864 HHRJYBTWCGQKMC-QGZVFWFLSA-N 370.453 2.579 0 50 FFAA Cc1nc(CCNC(=O)c2ccc([C@@H]3CCCN3)s2)nc2c1CCC2 20364016 PJYYWTPRXLCBQU-HNNXBMFYSA-N 356.495 2.732 0 50 FFAA Cc1cc2nc(CNC(=O)N3CCN(c4cccnc4)CC3)[nH]c2cc1C 426527001 SEBYZGWWBIVRCT-UHFFFAOYSA-N 364.453 2.607 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)c3cccc(F)c3[nH]1)C2 223768067 XHFCXTNRDIAUNE-SFHVURJKSA-N 370.428 2.713 0 50 FFAA COc1cccc(OC2CN(C(=O)CCc3cn4ccccc4n3)C2)c1 82138696 BOUBNNFSBOTMNJ-UHFFFAOYSA-N 351.406 2.565 0 50 FFAA CCc1nccn1CCCNC(=O)N(C)Cc1nnc(-c2ccccc2)o1 426494006 JPDZUHYLXJCDQU-UHFFFAOYSA-N 368.441 2.727 0 50 FFAA CNC[C@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 179006123 CRZQVNVWXVDMSJ-CYBMUJFWSA-N 355.276 2.676 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2ccc3c(cnn3C)c2)c1 426622947 MOWGXJODWUJZHO-AWEZNQCLSA-N 364.449 2.837 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)C(C)(C)C)CC1 91381479 MENDCSSSEPKLJC-UHFFFAOYSA-N 361.534 2.943 0 50 FFAA CC[C@H](C)c1ccc(NC(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1 97514965 HSNBBZRZCYEZRC-HNNXBMFYSA-N 369.469 2.648 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n[nH]1 426566905 OGGZOTRHJFTULK-GFCCVEGCSA-N 356.455 2.812 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91707726 IZCUUYPDSYCLKZ-UHFFFAOYSA-N 372.513 2.837 0 50 FFAA Cn1cnnc1C1CCN(C(=O)CC[C@@H]2CCCN3CCCC[C@H]23)CC1 95355304 XOBCUHJXNOKAIQ-FUHWJXTLSA-N 359.518 2.566 0 50 FFAA CN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1ccc(F)cc1 95357715 HUXICVMMLPIGLY-GOSISDBHSA-N 359.449 2.842 0 50 FFAA O=C(CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2)c1ccccc1 91830797 JGYVCFZJULOKPP-FUHWJXTLSA-N 364.449 2.567 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)[nH]n2)s1 92107576 KAJFESHTOVPUGF-UHFFFAOYSA-N 365.422 2.557 0 50 FFAA Cc1cc(C)cc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 95372877 JFGKXAPSLZRXQO-IFMALSPDSA-N 356.510 2.889 0 50 FFAA O=C(Nc1cccc2c1CCCC2)N1CCN(C(=O)c2ccc[nH]2)CC1 95513116 QJLRLJUOIDDZEH-UHFFFAOYSA-N 352.438 2.883 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCCn1ncc3ccccc31)C2 91563358 YJRWEJCBALBKGH-QGZVFWFLSA-N 365.433 2.803 0 50 FFAA NC(=O)c1ccnc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 95385889 NCGXXILAVAHNLT-UHFFFAOYSA-N 365.355 2.687 0 50 FFAA O=C(NCc1cccc(C(F)(F)F)n1)c1ccnn1CC(F)(F)F 295687375 JEPZSDBKGXLDHI-UHFFFAOYSA-N 352.238 2.789 0 50 FFAA O=C(CCCc1nc(C2CC2)no1)Nc1n[nH]c(Cc2cccc(F)c2)n1 183264228 XYUNIRVYIWWDNH-UHFFFAOYSA-N 370.388 2.756 0 50 FFAA COc1ccc([C@H]2Cn3cnc(C(=O)NCCCOC(C)C)c3CO2)cc1 263617045 LVLJNLUZAASAOU-GOSISDBHSA-N 373.453 2.708 0 50 FFAA O=C(Nc1cccc2[nH]nnc12)N1CCC([C@@H](O)c2cccs2)CC1 299755456 CKVUBIKAIQWQBW-MRXNPFEDSA-N 357.439 2.997 0 50 FFAA CN(C)c1ccc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)CC2)cc1 299769426 NFIGMPWKLDREEX-UHFFFAOYSA-N 369.440 2.766 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2)nn1C 584903449 UTUNTNZANVQUDT-SFHVURJKSA-N 362.433 2.866 0 50 FFAA COc1cccc(-c2cc(CNC(=O)N3CCC[C@@H](N(C)C)CC3)no2)c1 584903995 KJOQFXLUOZUUOS-QGZVFWFLSA-N 372.469 2.976 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H](Cc1cnc[nH]1)n1cccc1 670440801 WXNKTWODVFKSKG-HXUWFJFHSA-N 374.448 2.540 0 50 FFAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1csc2c1CCCC2 670434968 VOFBZRWMOLZVIR-SFHVURJKSA-N 371.506 2.825 0 50 FFAA CN1CCC(N2CCC(C(=O)Nc3cccc(-n4cccn4)c3)CC2)CC1 952860333 MLADZVLWQDUTNW-UHFFFAOYSA-N 367.497 2.617 0 50 FFAA CCc1nccn1CCC(=O)Nc1cc(-c2nnc(C)o2)ccc1OC 952978921 MDGCCHIBLSJCHC-UHFFFAOYSA-N 355.398 2.841 0 50 FFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 270476056 DLGUGYZDMSKRMF-ROUUACIJSA-N 366.465 2.748 0 50 FFAA C[C@H](CNC(=O)C1(C)CCN(Cc2ccccc2)CC1)N1CCCCC1=O 194254344 ZIGCBJIMCCFOMX-GOSISDBHSA-N 371.525 2.806 0 50 FFAA CCCC[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C2CC2)O1 1616071636 WBRMXAOXQMBFCP-YJBOKZPZSA-N 369.465 2.743 0 50 FFAA Nc1nc(CCC(=O)N2CCC([C@@H](O)c3cccs3)CC2)cs1 1506410356 FKVPRZALGLEMPU-OAHLLOKOSA-N 351.497 2.692 0 50 FFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1csc(CN(C)C)n1 1506404499 YNQMKNLCUYDEFX-UHFFFAOYSA-N 369.450 2.928 0 50 FFAA CCc1cc(C(=O)N2CCCN(C(=O)CCCc3cccs3)CC2)n[nH]1 1529095740 VRBBVWQAOXQBLH-UHFFFAOYSA-N 374.510 2.731 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NCC(C)(C)O 1704314637 VDUJACIBUBGQJA-UHFFFAOYSA-N 367.833 2.554 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)C[C@@H]3CCCCN3C)CC1)OCC2 1704302142 FDURBMNXIXDXLW-SFHVURJKSA-N 372.509 2.960 0 50 FFAA C[C@@H](COc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1 11754181 IWOGEJLMFOSIAG-SFHVURJKSA-N 361.530 2.624 0 50 FFAA CCOC(=O)CN(C)[C@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 11910408 QSZMJDYHKPALCZ-INIZCTEOSA-N 352.862 2.716 0 50 FFAA CC(C)c1ncc2c(n1)CCN(C(=O)c1n[nH]c3c1C[C@@H](C)O[C@H]3C)C2 1857527108 XLQLMBHYCNHZDI-NEPJUHHUSA-N 355.442 2.544 0 50 FFAA NC(=O)c1cc(N2CCC[C@H](c3nnc4ccccn34)C2)nc2ccccc12 1857679713 RGWWMKYPZKEDDR-AWEZNQCLSA-N 372.432 2.760 0 50 FFAA C/C=C/CN1CC[C@@H](O)[C@]2(CCCN(C(=O)Cc3ccccc3F)C2)C1 1857691751 BXCMSNMNXPQHMH-VSAQJFMZSA-N 360.473 2.620 0 50 FFAA CO[C@@]1(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)CCOC1 330008790 GXJNWCZTRJSNNX-SFHVURJKSA-N 352.500 2.952 0 50 FFAA Cc1cc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)nn1-c1ccccc1Cl 333542796 SJMBMSDGOZGZJH-WRFANHODSA-N 370.840 3.251 0 50 FFAA O=C(O)CN(Cc1cccc(Br)c1)C(=O)CC1CCOCC1 263057633 AZNUUIHKEXKUNX-UHFFFAOYSA-N 370.243 2.679 0 50 FFAA O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 263956296 NMYDGUYNTFJNNK-IAGOWNOFSA-N 353.470 2.825 0 50 FFAA O=C(c1cc2sc(N3CCCC3)nc2s1)N1CC2CC1(C(=O)O)C2 909946727 DSIOMCMQQDIKSE-UHFFFAOYSA-N 363.464 2.647 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCCc2ccnc(O)c21 823774636 MBGHMWLLJYLJIL-GOSISDBHSA-N 365.433 2.602 0 50 FFAA COCc1nc([C@H]2CN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]2C2CC2)n[nH]1 952848477 NRHWKPYMKXEWGS-CABCVRRESA-N 357.458 2.668 0 50 FFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccc2c(n1)CCCC2 952890499 VHEAWCOZESOGGL-MRXNPFEDSA-N 354.410 2.749 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@@H]2C)cc1 1875302813 IASRROGWOIABIH-NHYWBVRUSA-N 356.344 2.627 0 50 FFAA Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NCC3(N)CCCCC3)c2)n1 1875349538 BBTVVJWXEWKEBO-UHFFFAOYSA-N 369.469 2.934 0 50 FFAA O=C(Cc1cc2c(cc1Br)OCO2)Nc1n[nH]cc1Cl 1875358677 FHTNOVZWFIRKFW-UHFFFAOYSA-N 358.579 2.736 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2CNCc2ccccc2-n2cccn2)cn1 886056900 NRHNIDSOCQVTHZ-XLIONFOSSA-N 351.454 2.956 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@H](Nc3ccc(CCO)cc3)C2=O)cc1 2229387 AJDMSARFYPOETQ-IBGZPJMESA-N 368.433 2.754 0 50 FFAA C[C@H]1C[C@@H](NC(=O)N2CC(O)(c3cccc4ccccc34)C2)c2nccn21 847380994 ABFYCJRRYZOKDR-KBXCAEBGSA-N 362.433 2.955 0 50 FFAA CSc1ccc(Cl)c(C[C@@H]2NC(=O)[C@@H](CC(F)(F)F)NC2=O)c1 2325787705 QIDJSDFIBKFWCJ-WDEREUQCSA-N 366.792 2.540 0 50 FFAA Cc1ccc([C@@]23C[C@H]2CN(C(=O)N(C)Cc2cnc(N(C)C)nc2)C3)cc1 2325808795 YWKKGHSZOJUGJD-RXVVDRJESA-N 365.481 2.676 0 50 FFAA CC[C@@H](C)CC(=O)NCCN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 2325867998 LEUDCFSLBCDHCN-MRXNPFEDSA-N 359.514 2.614 0 50 FFAA O=C(CCF)NC[C@]12CC[C@H]1CN(C(=O)c1ccc3cccnc3c1)C2 2325871290 GRWGAOLEZIZMAD-JXFKEZNVSA-N 355.413 2.563 0 50 FFAA Cn1nc(C(=O)NCC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c2c1CNCC2 2325871496 NRXKFSUVNJYNKM-DELCKGKKSA-N 356.514 2.792 0 50 FFAA CC1(C)COc2cc(N[C@@H]3CC(=O)N(c4ccc(O)cc4)C3=O)ccc21 2325873068 XTSJPJGOYVILFS-MRXNPFEDSA-N 352.390 2.806 0 50 FFAA C[C@H](C1CC1)n1nc([C@H]2CN(C)CCO2)nc1-c1c[nH]c2ncccc12 2325880111 VFPMOPGMQMDAGV-MLGOLLRUSA-N 352.442 2.796 0 50 FFAA CC(=O)Nc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 633153 IZRCVQHOTCXQTP-UHFFFAOYSA-N 370.796 2.647 0 50 FFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 828322 ROFVNIYIKFWBOF-CQSZACIVSA-N 352.390 2.773 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2F)cc1 1119769 ALHLLEWODFCIQR-UHFFFAOYSA-N 359.835 2.935 0 50 FFAA Cc1cccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)c1 1173127 LIRQUIGFKCXCLA-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=S)N1 1253509 HTVQAXZWSITRCH-QGZVFWFLSA-N 367.430 2.847 0 50 FFAA CCCCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21 2272123 JCCJRTJGNGCQQR-UHFFFAOYSA-N 351.406 2.832 0 50 FFAA COc1ccc(C)cc1C(=O)N1CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356158476 LVOCDXRUVMKXTN-FXAWDEMLSA-N 363.454 2.718 0 50 FFAA COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nnc(C)s2)CC1=O 4841311 QJMFVZQPJYHFOL-SECBINFHSA-N 366.830 2.500 0 50 FFAA CCc1nnc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)s1 6179773 BLOBTPLLZXIASQ-UHFFFAOYSA-N 363.468 3.000 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2c(F)cc(F)cc2Br)CC1 6726825 QFUCPDADFBUUDM-UHFFFAOYSA-N 361.186 2.924 0 50 FFAA COc1cc(S(=O)(=O)Nc2ncccc2C)ccc1Br 8714969 DCGGMWTZUOZANF-UHFFFAOYSA-N 357.229 2.962 0 50 FFAA Cc1nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)s1 179001228 SPKKEALTFDNMPY-UHFFFAOYSA-N 356.451 2.880 0 50 FFAA CC(C)n1c(S)nnc1CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 116196573 WKLOJEHSBIDOIP-GHMZBOCLSA-N 366.437 2.888 0 50 FFAA Cc1ccccc1SCC(=O)N1CCN(Cc2ccccc2CO)CC1 55071580 RIOZDMVDJSCGAF-UHFFFAOYSA-N 370.518 2.924 0 50 FFAA Cc1c(CN[C@H](C)c2cn3ccsc3n2)c2ccccc2n1CC(N)=O 55575467 IRAWPUMAOMBMRT-GFCCVEGCSA-N 367.478 2.995 0 50 FFAA O=C(Cc1cn2ccsc2n1)N1CCc2[nH]nc(-c3ccco3)c2C1 23231789 TYFCKVFOHFQFED-UHFFFAOYSA-N 353.407 2.506 0 50 FFAA C[C@@H]1CCCN1c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 67834083 YRDXVVUFQVYDOH-MRXNPFEDSA-N 353.470 2.819 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)c3cc(O)n[nH]3)[nH]c2-c2ccccn2)cc1 67758065 HRVSIYXPWSASOJ-UHFFFAOYSA-N 374.404 2.806 0 50 FFAA CC(C)C[C@H](C(=O)NCCn1c(CO)nc2ccccc21)n1cccc1 409413327 HXLLTKSOHPYOCM-GOSISDBHSA-N 354.454 2.734 0 50 FFAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21 229951528 JDNCLQQIUNHONM-GDBMZVCRSA-N 366.483 2.997 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 252444148 DIWAFFAEVBYNFC-VNHYZAJKSA-N 351.472 2.814 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@H](OCc2ccncc2)C1 172249971 XNDLJCQSGZOKCM-KRWDZBQOSA-N 350.422 2.557 0 50 FFAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1 61721043 XBHOEJPBWUNQTC-RTBURBONSA-N 360.417 2.969 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)CCc1ccc3c(c1)OCO3)C2 67674915 RKKUCIWFMXSCHK-UHFFFAOYSA-N 353.422 2.879 0 50 FFAA Cn1ncc(Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 2779199 KCLDPDSRRZWGJL-UHFFFAOYSA-N 352.847 2.755 0 50 FFAA COC[C@H](C)n1c(CCCC(=O)N2CCOC(C)(C)C2)nc2cccnc21 77408400 REMFDUYSUDZKSI-HNNXBMFYSA-N 374.485 2.599 0 50 FFAA CC(=O)c1ccc(CN2CCC3(CC2)CN(CCCN(C)C)C(=O)O3)cc1 72433569 NCSUCDRXCAYXRJ-UHFFFAOYSA-N 373.497 2.628 0 50 FFAA Cc1n[nH]c(CCC(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)n1 77438772 XUCWWLIACGDNGU-SFHVURJKSA-N 355.486 2.861 0 50 FFAA COc1ccccc1N1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C1 153035157 LPNLXZHPOTWGNV-KRWDZBQOSA-N 372.490 2.741 0 50 FFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 331891680 IWSIQSYSUDNSRI-HNNXBMFYSA-N 355.316 2.574 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)NCc2ccc(-n3ccnc3)nc2)n1 363773828 DABJCARYMKDTDF-LBPRGKRZSA-N 356.455 2.635 0 50 FFAA Cc1csc([C@@H]2CN(C(=O)N[C@@H](C)c3cncc(F)c3)CCO2)n1 332104603 FUMOMNJVXLCJJD-FZMZJTMJSA-N 350.419 2.830 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1n[nH]c2c1CCCCC2 215833418 UCOPQKPEBUWCMQ-MRXNPFEDSA-N 370.501 2.692 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccsc1 242087931 WAHUMMLUIMEYCJ-GOSISDBHSA-N 373.453 2.897 0 50 FFAA CN1CCN(c2ccc(NC(=O)Nc3ccccc3F)c3nonc23)CC1 13328477 NNRHELOFINALNX-UHFFFAOYSA-N 370.388 2.758 0 50 FFAA Cn1cc(Oc2ccccc2C(=O)N2CC[S@@](=O)C(C)(C)CC2)cn1 333964849 PKEHVUWAWJFKOI-RUZDIDTESA-N 361.467 2.586 0 50 FFAA CC(C)CCC(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72161946 AFJNCUKCYORQAZ-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@@H]3CSC(C)(C)C(=O)N3)cc(C)cc2c1C 71749364 DMWGTRSJHOGUPF-INIZCTEOSA-N 373.522 2.974 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72469954 PHEQUPWOBOPDKP-UHFFFAOYSA-N 353.344 2.861 0 50 FFAA CCCN1CC[C@H](CNC(=O)Nc2cc(C)cc(N3CCN(C)CC3)c2)C1 240423822 FRCPZQKFMGLJIF-GOSISDBHSA-N 373.545 2.600 0 50 FFAA CN1C(=O)N[C@@H]2CN(C(=O)Nc3ccccc3CCC(F)(F)F)CC[C@@H]21 285840221 PUZGXPPVEPJZNZ-KGLIPLIRSA-N 370.375 2.811 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 17075897 QJYMVHPWVBCBQO-JOCCRWCTSA-N 370.449 2.998 0 50 FFAA CN(C)C[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nccs3)cc2)C1 426674381 ZCEKOIHOFOBERN-IBGZPJMESA-N 359.495 2.586 0 50 FFAA COc1ccc(C2(C(=O)NCCn3ccc(C)n3)CCCC2)cc1OC 426549214 UDLBPXHNLCIMES-UHFFFAOYSA-N 357.454 2.837 0 50 FFAA CC(=O)N[C@H](c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1)C1CCCC1 288962425 LGPUQVKQIJRMFE-KRWDZBQOSA-N 368.437 2.996 0 50 FFAA CC(C)c1nc([C@H]2CCCN2C(=O)NCc2ccc(CO)c(F)c2)no1 177473424 WLHVCLDGNGTUQH-OAHLLOKOSA-N 362.405 2.871 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CC[C@@H](N)C2)cc1 426423682 PQVQBQZSUBGEGQ-LLVKDONJSA-N 353.348 2.671 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(C)cc1C 239173777 OQKZCXNJYXOFJA-BUJXUYPKSA-N 364.445 2.667 0 50 FFAA O=C(c1ccnc2ccccc12)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91644714 GXGHUKKLBXKOES-QZTJIDSGSA-N 367.493 2.791 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91289353 HJKXGRIZJVLANJ-IBGZPJMESA-N 363.889 2.933 0 50 FFAA O=C(Nc1cccn2cnnc12)N[C@H]1CCCN(Cc2cccs2)C1 96138879 IHCCMGAIUHFZFO-ZDUSSCGKSA-N 356.455 2.577 0 50 FFAA COc1ccccc1CN(CCO)C(=O)c1cccc(-c2cn[nH]c2)c1 97307600 CRXZTAXBQZHMNN-UHFFFAOYSA-N 351.406 2.720 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1cccn1C(C)C)CC2 91587040 PKBQPIPIDQVMIU-UHFFFAOYSA-N 361.486 2.560 0 50 FFAA Cn1cc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c(C2CC2)n1 292146747 WPPROSXJEFPYIB-HNNXBMFYSA-N 369.473 2.984 0 50 FFAA Cc1nc(-c2cc(-c3ccccn3)n[nH]2)n(-c2ccc3c(c2)OCCO3)n1 96139988 RHWMDMPLGKYQSB-UHFFFAOYSA-N 360.377 2.799 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)CN1C(=O)OC[C@@H]1C(C)C 95511290 NLJVJGMFOYDSNY-CQSZACIVSA-N 354.834 2.784 0 50 FFAA O=C(c1ccccn1)N1CCC(N2CCC[C@@](CO)(CC3CC3)C2)CC1 92061835 MHPJSNVFZIIMRF-OAQYLSRUSA-N 357.498 2.561 0 50 FFAA COc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)ncn1 95527286 LEAAHJJJVQMKQV-UHFFFAOYSA-N 350.426 2.509 0 50 FFAA Cc1cccc(CN2CCN(C(=O)Nc3cncc(F)c3)[C@@H](C)C2=O)c1 96139601 KKBHEOALJXPVHG-AWEZNQCLSA-N 356.401 2.794 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)NCc2cnc(C)cn2)c1 91621277 GRXAPBRAZGVFRI-UHFFFAOYSA-N 369.421 2.681 0 50 FFAA Cc1cc(N2CCC(NCCc3c[nH]cn3)CC2)nc(-c2ccccc2)n1 95517059 HSUVKJLNBGPHEF-UHFFFAOYSA-N 362.481 2.976 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(C3CCCCC3)no1)C2 91626212 FGAORAPXMUMGEU-DLBZAZTESA-N 361.486 2.792 0 50 FFAA CC(C)[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)c2ccccc2N1 294796965 BEESVMMWXLTWSA-ZBFHGGJFSA-N 350.484 2.685 0 50 FFAA Cc1ccc2nc(CN3CCC(c4nc(C(C)C)no4)CC3)cc(=O)n2c1 244817207 SWDIKOPIBLMBEY-UHFFFAOYSA-N 367.453 2.889 0 50 FFAA Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)o1 252501367 UFIIJMQRTRBZBO-UHFFFAOYSA-N 368.886 2.889 0 50 FFAA CC1(c2ccc(Cl)cc2)CCN(C(=O)NCc2ccc(=O)[nH]n2)CC1 297678464 PNTWOSRGPRLMKH-UHFFFAOYSA-N 360.845 2.687 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c(c1)OCO2 253398177 BZQIXJMPVGVZMR-NVXWUHKLSA-N 360.454 2.517 0 50 FFAA biogenic CC[C@H](CNC(=O)N1CC=C(c2ccccc2)CC1)N1CCN(C)CC1 534676964 VSBIMCPSFWWDHU-HXUWFJFHSA-N 356.514 2.511 0 50 FFAA O=C(NCCSc1cnn[nH]1)Nc1cccc(NC(=O)C2CCCC2)c1 299772280 UZIGPRYJCQHRQO-UHFFFAOYSA-N 374.470 2.847 0 50 FFAA Cc1cc(CN2CCOC3(CCN(C(=O)C[C@H]4C=CCC4)CC3)C2)on1 827921343 OREOHCSVZQDIAI-KRWDZBQOSA-N 359.470 2.533 0 50 FFAA O=C(c1ccc2nn[nH]c2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 584884125 BQCHKWQMMWVGLD-UHFFFAOYSA-N 356.813 2.735 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCCN(c3ccncc3C)CC2)s1 952967107 YULKISQMDZHDHN-UHFFFAOYSA-N 365.524 2.915 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cccc3c2OCCO3)c1 952979288 UICFYNAQZPXOOG-UHFFFAOYSA-N 369.421 2.519 0 50 FFAA Cc1cc(C)c(CN2CCN(C)CC2)cc1CNCCCn1ccnc1C 952989001 GKBIDITYIJAMOZ-UHFFFAOYSA-N 369.557 2.736 0 50 FFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 408503064 UUBSRAGASAXONE-AWEZNQCLSA-N 362.451 2.513 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2c(C)nc3cc(C)ccn23)cc1 952988221 OZKKEYXHSATDHX-UHFFFAOYSA-N 352.394 2.788 0 50 FFAA C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 272190752 BJDOGKCFZRZMRP-WMZOPIPTSA-N 359.514 2.566 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1noc(C)n1)CC2 276422284 LMINTAHATSMKKW-MRXNPFEDSA-N 360.483 2.843 0 50 FFAA Cn1cc([C@H](O)C[C@@H]2CCCN2CCCOc2ccc3c(c2)OCO3)cn1 170591256 WBAZDTMGZCQTLE-FUHWJXTLSA-N 373.453 2.506 0 50 FFAA CC(C)c1nnc(S)n1CCNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 170645271 SMQRHOMMWWXGON-HOTGVXAUSA-N 374.510 2.974 0 50 FFAA C[C@H](NC(=O)[C@@H](C)OC(=O)c1cccc2nn[nH]c12)c1ccc(F)cc1 170610705 DQGGKZHQHZEOFR-WDEREUQCSA-N 356.357 2.520 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CN2CCc3ccccc32)CC1 170602476 AYIIJMCMQWIJQU-KRWDZBQOSA-N 373.497 2.955 0 50 FFAA Cc1ccc(Oc2ccc(NC(=O)N3CCN(C)C(=O)C3)cn2)cc1C 170652427 GLFYYTVPJCEXTD-UHFFFAOYSA-N 354.410 2.797 0 50 FFAA CCn1c(N2CCC[C@H]2c2nc(C(C)C)no2)nc2cc(C(=O)O)cnc21 1529104359 OFJMBYNHVPUZMN-ZDUSSCGKSA-N 370.413 2.997 0 50 FFAA Cc1ccc([C@@H](C)CCN2CCCN(C(=O)Cn3ccnc3C)CC2)o1 1529174308 TVAADZOPCQGQIB-INIZCTEOSA-N 358.486 2.821 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(CC(=O)N3CCc4ccccc43)C1)CC2 1704339256 HCRMBRQFMPFALR-QFIPXVFZSA-N 362.477 2.654 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1C[C@H]3C[C@H](O)C[C@H]3C1)O2 1800411074 DQWZEJRZIAWVKY-IWLLQYOYSA-N 359.466 2.630 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772706346 PYXQDLUQYZEHGA-XMSQKQJNSA-N 367.445 2.737 0 50 FFAA O=C1C[C@H](c2nnc3n2Cc2ccccc2OC3)CN1Cc1ccccc1 1772817949 KHSFVZYCRDENJP-KRWDZBQOSA-N 360.417 2.735 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C3(O)CC3)c(O)n2)cc1 1772815953 AMGOHPDZPAPRMC-QGZVFWFLSA-N 354.406 2.592 0 50 FFAA CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 5659989 PZGKEESVMHUWRN-UHFFFAOYSA-N 372.368 2.647 0 50 FFAA Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)C2CCOCC2)O3)nc1 11783303 PCJXOSQXQCLOCH-SFHVURJKSA-N 352.434 2.903 0 50 FFAA COc1ccc(CC2=NO[C@@H](C(=O)NCCc3ccccc3F)C2)cc1 12213762 JEFGGBFUCMJCJQ-LJQANCHMSA-N 356.397 2.881 0 50 FFAA O=C(Cn1ncc2ccccc21)N[C@@H]1CCCN(CCc2ccccc2)C1 12458938 LYTQFZZCFSOLCV-HXUWFJFHSA-N 362.477 2.860 0 50 FFAA Cc1ccc(-c2cc3n(n2)[C@@H](NCCc2cccs2)CNC3=O)cc1 169754487 ZVMKRPSXVUJRRV-GOSISDBHSA-N 352.463 2.994 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)NCc4csc(C)n4)CC3)nc2n1 1857714578 XAXXQFYIIRNLKN-UHFFFAOYSA-N 371.466 2.829 0 50 FFAA COc1ccccc1CN1C(=O)O[C@H]2CN(C3Cc4ccccc4C3)C[C@H]21 206252440 HAIBBXZXLGMDKV-CTNGQTDRSA-N 364.445 2.868 0 50 FFAA CNC[C@H]1CCCN(C(=O)CCOc2ccc(C)cc2Br)C1 237289070 FYISCIQMIKXIDA-CQSZACIVSA-N 369.303 2.984 0 50 FFAA COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@H]2C(=O)O)cc1 237370649 SBAGCOZGVRZKAK-MSOLQXFVSA-N 360.454 2.688 0 50 FFAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2ccc(Br)cc2C1 765293979 QRQJLVHBDHHDBO-BDJLRTHQSA-N 364.287 2.957 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccn(-c3ccc(F)cc3F)n2)C1 252499650 SDKINSUILPYJDL-OAHLLOKOSA-N 374.435 2.889 0 50 FFAA CCn1nc(C)c(CC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1C 368351607 IPPBLRSPYHZKRK-QGZVFWFLSA-N 370.501 2.744 0 50 FFAA COC(=O)C1(c2cccc(NC(=O)N3C[C@@H](C)C[C@@H](CO)C3)c2)CCC1 1875296827 QUXCQHBCLSCZOZ-LSDHHAIUSA-N 360.454 2.764 0 50 FFAA Cc1noc(Cn2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cn2)n1 1875268285 GPIYKHLYQUHMBO-OAHLLOKOSA-N 367.409 2.655 0 50 FFAA C=CC(=O)N(CCc1scnc1C)Cc1cc(Br)no1 1875386303 MHPGSPSLFIPSJU-UHFFFAOYSA-N 356.245 2.959 0 50 FFAA C[C@@H]1C[C@H](CO)N1C(=O)N=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)s1 1875301666 ORQMEHBUAVYELN-LDYMZIIASA-N 372.372 2.633 0 50 FFAA Cc1sc(Cl)nc1C(=O)N[C@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@@H]2C)C1 1875406396 CSHJSWWFGXLIHG-QSFUFRPTSA-N 355.891 2.870 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cccc(-c2ccoc2)c1 1875402681 JZXVOFJPUPLHPB-GDIGMMSISA-N 351.406 2.713 0 50 FFAA O=C(c1cncc(-c2ccoc2)c1)N1C[C@H]2C[C@H]1C[C@]2(O)C(F)(F)F 1875404746 SXHIYKMALYJQME-IJEWVQPXSA-N 352.312 2.869 0 50 FFAA CCc1nc(C(=O)N2CC3(CCC(NC(=O)C4(CC)CC4)CC3)C2)co1 1875405077 OZEHUTPIEZLMSR-UHFFFAOYSA-N 359.470 2.928 0 50 FFAA Cn1ccnc1[C@H]1[C@H](NC(=O)CC2=CCCCC2)CCC(=O)N1C1CC1 886084728 CNIWKGXEJPORHU-VQIMIIECSA-N 356.470 2.621 0 50 FFAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)c2cc(F)c(F)cc2Cl)n1 888078368 LWRBRKFVYWADNZ-SDBXPKJASA-N 357.744 2.817 0 50 FFAA CC[C@H](C)c1nn2c(=O)c(NC(=O)c3ccc(OC)cc3)cnc2s1 12418717 GSRFFGGOBTWTPZ-JTQLQIEISA-N 358.423 2.925 0 50 FFAA CN(CCN(C)C(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccccc1 2325821497 UAZADJKIUCZQOD-UHFFFAOYSA-N 351.450 2.775 0 50 FFAA Cc1ccc(F)cc1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842646 DLCWHNSFEGSYKY-AWEZNQCLSA-N 358.417 2.625 0 50 FFAA O=C(OCCc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 858892133 MWAWOVNXLNRBNS-UHFFFAOYSA-N 356.397 2.963 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCCO1 1055981 SCZMCCZVWWCSHW-GOSISDBHSA-N 372.446 2.556 0 50 FFAA CCC(CC)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 1115179 NWISSJJEJUBZBJ-UHFFFAOYSA-N 358.423 2.676 0 50 FFAA COc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)c1 4141502 GKHZNNJLUNMBPY-UHFFFAOYSA-N 355.799 2.629 0 50 FFAA CS(=O)(=O)Nc1ccccc1C(=O)NCCSc1ccccc1 6268658 XUNUACIUUWHPAX-UHFFFAOYSA-N 350.465 2.580 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 6939958 OTDRFJLAQRFGLN-MRXNPFEDSA-N 354.385 2.711 0 50 FFAA CCCN1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1 55242229 JRAFEUFLDYALRR-UHFFFAOYSA-N 365.380 2.700 0 50 FFAA O=C(CN1CCN2CCC[C@@H]2C1)Nc1ccc(Br)cc1Cl 22752694 XAOXJXJVFDBOOJ-GFCCVEGCSA-N 372.694 2.821 0 50 FFAA O=C(Nc1nc2c(s1)CCCC2)c1cccc(CN2CC[C@H](O)C2)c1 67472903 NWIZCQREAOVIJQ-HNNXBMFYSA-N 357.479 2.841 0 50 FFAA OCC1CCN([C@@H]2CCCN(C3CCN(c4ccccc4)CC3)C2)CC1 20202640 BALSVCDMJCZULH-JOCHJYFZSA-N 357.542 2.824 0 50 FFAA CN1CCCn2nc(C(=O)N3CCC[C@@H]3CCc3ccccc3)cc2C1 65399264 SHUTUJMACUPLEG-GOSISDBHSA-N 352.482 2.956 0 50 FFAA O=C(Cc1cn2ccccc2n1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 467714508 QMXIHWVQKGPFPS-UHFFFAOYSA-N 353.332 3.184 0 50 FFAA Cc1nc(CCC(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n[nH]1 65396256 SZTZIFKRBYHVIW-RBUKOAKNSA-N 364.449 2.576 0 50 FFAA Cc1conc1NC(=O)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 119694418 YJHQROYKLRHJQN-GFCCVEGCSA-N 374.466 2.663 0 50 FFAA c1ccc(N2CCc3nc(NCc4cccnc4-n4cncn4)ncc32)cc1 65461606 WLLWAGGZCHKYDI-UHFFFAOYSA-N 370.420 2.759 0 50 FFAA CC(C)(CN1CCC(c2nc3ccc(F)cc3[nH]2)CC1)N1CCOCC1 215382092 CPZUCIACYVQGOG-UHFFFAOYSA-N 360.477 2.992 0 50 FFAA CC(=O)c1cc(CC(=O)NCCNC(=O)c2ccccc2Cl)cs1 216229469 DDQPVZVDZINXMM-UHFFFAOYSA-N 364.854 2.693 0 50 FFAA COc1ccc2[nH]nc(CN3CCCC[C@H]3CCN3CCOCC3)c2c1 77406272 JACATUBHPMZHHP-INIZCTEOSA-N 358.486 2.648 0 50 FFAA CC[C@@H](SC)C(=O)N1CCC[C@@H](N(CC)Cc2noc(C)n2)CC1 328633146 LTKDMAZGUMRUIG-HUUCEWRRSA-N 354.520 2.723 0 50 FFAA CN(Cc1cccc(OCCN2CCOCC2)c1)[C@H]1CCOC(C)(C)C1 216241016 OZZUEEUOSRURAO-IBGZPJMESA-N 362.514 2.787 0 50 FFAA COc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 71752826 RVOHUTZODBCFKB-QGZVFWFLSA-N 372.444 2.888 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N[C@H]3CC(=O)N(Cc4cccc(F)c4)C3)c2c1 72149992 BRVZLFXMSTVRLE-HNNXBMFYSA-N 366.396 2.541 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1cccc(C)n1)CC2 262897247 ZPGFKPHGUFINFC-MRXNPFEDSA-N 370.405 2.622 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 368856083 VKPABVVKPPWEIK-KRWDZBQOSA-N 353.426 2.663 0 50 FFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1 72156772 IELYQJAJXCKOAO-KRWDZBQOSA-N 373.884 2.807 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 156925121 NLOBAOABWCKWHQ-MRXNPFEDSA-N 365.433 2.589 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1C 72438109 FMXLLPCBHUQYDF-UHFFFAOYSA-N 354.450 2.949 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccc(C)o3)n[nH]1)C2 219325465 INJQYVPJHGBYAY-KRWDZBQOSA-N 369.425 2.664 0 50 FFAA CCc1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCSC)C2)on1 72428535 DWALDQRVSDRHAX-WMLDXEAASA-N 351.516 2.803 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)cc2s1 219733280 VNNJFHSTVKKQNU-GDBMZVCRSA-N 369.446 2.966 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 72437744 JROWYOQCSCUSQZ-UHFFFAOYSA-N 359.518 2.860 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 262334043 WHSDYKYSZGUYOH-HNNXBMFYSA-N 354.362 2.528 0 50 FFAA O=C(Cn1ccc(-c2ccccn2)n1)Nc1ccnn1Cc1cccs1 48488653 ULVRISDUARBINW-UHFFFAOYSA-N 364.434 2.890 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC(=O)N4C)C2)c1 130793574 QKOPQZWMURNTHG-KRWDZBQOSA-N 352.438 2.578 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@H]2C(=O)O)c(C)n1[C@H](C)c1ccccc1 262560621 YHYBMNGDIOMSJZ-KDOFPFPSSA-N 356.422 2.640 0 50 FFAA Cc1cccc2cc(C(=O)N3CCC[C@]4(CCC(=O)N(CCO)C4)C3)oc12 77488400 VMVZBGQXNOCGSL-OAQYLSRUSA-N 370.449 2.578 0 50 FFAA Cc1nc([C@H]2CCCN(c3noc(C(C)C)n3)C2)cc(N2CCOCC2)n1 72419769 DSMHFWBUYOWFLE-HNNXBMFYSA-N 372.473 2.512 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)Cc1ccc2c(c1)OCO2 77428851 FWPDMVMRLSDRTH-QGZVFWFLSA-N 352.434 2.943 0 50 FFAA CN1CCC([C@H]2OCC[C@@H]2C(=O)NCc2c(F)cccc2Cl)CC1 284553756 MUDGNSMIHURBMS-SUMWQHHRSA-N 354.853 2.842 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCCn3nc([C@@H](C)O)cc3C2)c1 220370919 VMBLWNLXKJAIHI-OAHLLOKOSA-N 367.453 2.537 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1ccc[nH]1 174331495 QEQMIXXFCNHATQ-OAHLLOKOSA-N 361.829 2.598 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(SCCO)cc3)CC2=O)cc1 85532731 QBHIEQIVVGSLJV-UHFFFAOYSA-N 370.474 2.568 0 50 FFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN4C(=O)NC[C@H]4C3)c2c1 176128175 UFBKNBLXMCYPME-HNNXBMFYSA-N 364.449 2.579 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)o1 287572208 NEHPDMZWLRXZQA-RCBQFDQVSA-N 370.453 2.805 0 50 FFAA COc1cccc(OC2CN(C(=O)Cc3ccc(OC)c(OC)c3)C2)c1 82139183 ISQQKIOROQDNRI-UHFFFAOYSA-N 357.406 2.545 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1CCCN(Cc2cccnc2)C1 223633972 JVFJPKKSCPSCNM-GOSISDBHSA-N 367.449 2.524 0 50 FFAA Cc1cc2c(N[C@@H]3CCN(C(=O)c4ccccc4)C[C@H]3O)ncnc2s1 426428813 DIXAVQMSHXVOMS-HZPDHXFCSA-N 368.462 2.687 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1csc2c1CCCC2 220204307 OYJTWJLMBPDUOV-HZPDHXFCSA-N 358.463 2.988 0 50 FFAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCN(c2cnccn2)CC1 426414285 HJENGGLHLLJISM-UHFFFAOYSA-N 360.417 2.812 0 50 FFAA CN1CCC(CNC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)CC1 426434495 QLHLAVHRDOSEKX-OAQYLSRUSA-N 373.541 2.744 0 50 FFAA O=C(c1cncc(Br)c1)N1CC[C@@](CO)(c2ccccc2)C1 291231193 OBAMWJQYKSUNLK-QGZVFWFLSA-N 361.239 2.620 0 50 FFAA Cc1ocnc1C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95369837 OVAXDSYTCLSHAH-GDIGMMSISA-N 373.403 2.964 0 50 FFAA CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239338643 KWPOZASIPBUJHO-DUBDDPSESA-N 363.435 2.949 0 50 FFAA Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c2ccccc2n1 96166805 UMFSBCQKTIIQDN-KRWDZBQOSA-N 374.444 2.859 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)COc1cccc(Cl)c1 91780829 VZGOHKQFTYJLGS-UHFFFAOYSA-N 358.785 2.822 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)N(C)C)c1 95369618 DODGMVKPXOUMSY-NRFANRHFSA-N 366.509 2.958 0 50 FFAA COc1cccc(O[C@H](C)C(=O)N2CC(Oc3ccccc3OC)C2)c1 92022508 FJJKMHPIRODBFC-CQSZACIVSA-N 357.406 2.761 0 50 FFAA O=C(CSCCN1CCCC1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95502381 VRSWLYZJBAOTBA-UHFFFAOYSA-N 370.522 2.790 0 50 FFAA c1cnn(Cc2ccc(CN3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)cc2)c1 91655962 XGRZLYXOFKBELH-NHCUHLMSSA-N 374.492 2.822 0 50 FFAA COc1cccc(CN2CCCn3nc(CCC(=O)NC4CC4)cc3C2)c1 91575250 NFRNMLDTPXZTAW-UHFFFAOYSA-N 368.481 2.509 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCNCC1 237684740 SOVHFUZFAVEFGN-UHFFFAOYSA-N 353.253 2.592 0 50 FFAA Cc1cccc([C@@H](C(=O)NCc2csc(-c3ncccn3)n2)N(C)C)c1 91986263 PMPOKIOOMKPDMU-INIZCTEOSA-N 367.478 2.828 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1)n2C 97495191 ZJZLYPOKHHKENO-IBGZPJMESA-N 365.408 2.939 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 239173908 OWYHFPWAXLRJLO-WIRSXHRWSA-N 355.434 2.620 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCCN(Cc3cccnc3)CC2)c(C)c1 95353830 CLFHMDFVTSRWCD-FQEVSTJZSA-N 369.465 2.732 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N[C@H](C)CO)cc3o2)cc1OC 95521497 VKGPCYBRYOQHGF-GFCCVEGCSA-N 370.405 2.546 0 50 FFAA CC1(C)C[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CCO1 91270322 ZVLOFPISJUNQFL-AWEZNQCLSA-N 357.454 2.617 0 50 FFAA CNC[C@H]1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCCC2)C1 299738523 BXHJEDTXRVBJED-MRXNPFEDSA-N 360.498 2.974 0 50 FFAA O=C(NCc1cccc(F)c1)c1nnn2c1CO[C@H](c1ccccc1)C2 263615465 CNVJQHAOUXCXRC-KRWDZBQOSA-N 352.369 2.619 0 50 FFAA C[C@H](NC(=O)c1nn(C)cc1I)[C@H]1C[C@H]2CC[C@H]1C2 102616571 IFZNMBRSZLXSSZ-XWLWVQCSSA-N 373.238 2.579 0 50 FFAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N[C@@H](C)c1c(C)n[nH]c1C 299782004 MPIOEKWDIASZSF-JTQLQIEISA-N 365.459 2.589 0 50 FFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 64024096 UVXDORGHILBTDT-GOSISDBHSA-N 363.483 2.873 0 50 FFAA O=C(CC1=CSC2=NCCCN12)NC1CCN(c2ccccc2F)CC1 299781234 URZIXYBMYAHYFU-UHFFFAOYSA-N 374.485 2.951 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 299774976 ITJQFWGZMWZZSG-HNNXBMFYSA-N 365.905 2.590 0 50 FFAA Cc1cc(C)n(CCN(C)C(=O)Cc2cc3c(cc2Cl)OCCO3)n1 299787468 MGQOUNKEDGNBFN-UHFFFAOYSA-N 363.845 2.626 0 50 FFAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)NC1CCNCC1 828015620 WKRZGLPCBRYYTM-SFHVURJKSA-N 364.921 2.918 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)C1 670467097 YLGVTXCYALCMSA-SFHVURJKSA-N 368.543 2.935 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1CCCN(C(=O)c2ccco2)C1 670457943 WLZUTUAXGPFBAG-ZDUSSCGKSA-N 362.813 2.602 0 50 FFAA O=C(CCN1CCCCCC1=O)Nc1ccccc1OC[C@@H]1CCCO1 952984132 IDRCMXONXHFFPV-INIZCTEOSA-N 360.454 2.976 0 50 FFAA CN(C)C(=O)c1ccccc1NC(=O)c1ccc(OCC(F)(F)F)cn1 764766173 GIWWBNLBANYBIR-UHFFFAOYSA-N 367.327 2.977 0 50 FFAA CCN(CC)C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 1506415158 WJVFKSLOEIZJKK-CYBMUJFWSA-N 360.907 2.844 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2cc(C)n(C)c2C)C[C@@H]1C(=O)O 213004931 JZVPNUNJGCVIND-SJORKVTESA-N 356.422 2.591 0 50 FFAA CCCN1C[C@@H]2CN(Cc3ccc(F)cc3F)C[C@]2(CCC(=O)O)C1 1772705654 VCRWDKFUMJJGPL-BEFAXECRSA-N 352.425 2.973 0 50 FFAA Cc1nc(C)c(C(=O)N2CCCN(c3ncnc4ccsc34)CC2)o1 1775982850 TXPITKFYGVSIGE-UHFFFAOYSA-N 357.439 2.649 0 50 FFAA Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncnc(N3CCN(C)CC3)c12 11910368 RSIXXQLVGCRFBT-ZDUSSCGKSA-N 373.526 2.766 0 50 FFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N1CCC[C@@H]1c1nccs1 12589422 GHLSFWKYGKAEJM-OAHLLOKOSA-N 357.414 2.899 0 50 FFAA O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCOCC1 12653745 POGUJMYEESQTCM-IBGZPJMESA-N 369.461 2.574 0 50 FFAA COc1ccc2c(C)nc(N3CCC[C@H](C(=O)N4CCCC4)C3)nc2c1 14887886 CEEPJYIZUQLPAZ-HNNXBMFYSA-N 354.454 2.786 0 50 FFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccccc4)CC3)nn2)n1 169777409 LNAFWDQBMUKLET-UHFFFAOYSA-N 366.425 2.758 0 50 FFAA CCc1csc(Cn2ccnc2-c2cnc(NC[C@H]3CCCO3)nc2)n1 1857667456 KPWSVYBQFQATJV-OAHLLOKOSA-N 370.482 2.998 0 50 FFAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669373 BWURPNVWGMDXAF-GHTZIAJQSA-N 355.409 2.964 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)Cc1csc(-c3ccccc3)n1)C2 1857679902 ZWFUNZYFXRFQRF-LJQANCHMSA-N 371.462 2.796 0 50 FFAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2C[C@@H](O)C(C)(C)C2)s1 331493459 VQZSFIQGLLQWGQ-UONOGXRCSA-N 360.483 3.315 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c(Cl)c2ccccc21 237709680 ITTZBPUVEQNPLE-LBPRGKRZSA-N 364.829 2.928 0 50 FFAA O=C(O)C1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 238021030 LVSOYIUSQFGDOK-UHFFFAOYSA-N 351.830 2.711 0 50 FFAA CC(C)(C)n1cc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cn1 264280067 ICDVFZWCZPMRIM-GOSISDBHSA-N 354.498 2.933 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)co1 162869285 LVDIUIBZKFLNHV-UHFFFAOYSA-N 368.842 2.646 0 50 FFAA CN1CCC[C@]2(CO)CCN(Cc3c(Cl)ccc(O)c3Cl)C[C@@H]12 1704340158 OZJPJEYPNLBGLV-NVXWUHKLSA-N 359.297 2.978 0 50 FFAA COC(=O)[C@H](NCc1cccn(C(F)F)c1=O)c1ccc(F)cc1F 1875269922 DQSOJQOUBFPXOV-CYBMUJFWSA-N 358.291 2.526 0 50 FFAA CCCCn1nc(Cc2cnn(C)c2)nc1-c1cnc(C(F)(F)F)cn1 1875336328 WURJBDJRJUUQQW-UHFFFAOYSA-N 365.363 2.878 0 50 FFAA CN(C)c1nc(Cl)c(C(=O)NC23CCC(C(=O)O)(CC2)CC3)s1 1875334339 KLDCBDODRQWXNO-UHFFFAOYSA-N 357.863 2.770 0 50 FFAA Cc1nc(C(=O)N2C[C@H](NC(=O)CC3(C)CC3)[C@@H]3CCCC[C@@H]32)c(C)o1 1875408353 UERXGDCSPXGMDT-JYJNAYRXSA-N 359.470 2.981 0 50 FFAA CC(C)n1cnc(C(=O)N[C@H]2CCCN(C(=O)C3CC4(CC4)C3)[C@@H]2C)c1 1875406594 HVWALKLHLDZLMN-ZBFHGGJFSA-N 358.486 2.764 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc4nc[nH]c4cc2F)C3)n1 888098254 JEJCPZYXHSZTBQ-VOJFVSQTSA-N 355.373 2.587 0 50 FFAA Cc1cc(C)c([C@@H](CO)NC(=O)c2nnc3c(F)cccc3c2O)c(C)c1 2325841819 HBYXYIOKEKIECY-OAHLLOKOSA-N 369.396 2.863 0 50 FFAA Cc1cccc([C@@H](CN(C)C)NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 2325858955 HVBFONKEZRTPEZ-GOSISDBHSA-N 365.481 2.926 0 50 FFAA CCCN(CCC)CCCC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(C)=O)C2 2325866853 BXNIWCGMVWDAFQ-ROUUACIJSA-N 351.535 2.889 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(-c3nc(C)cc(O)n3)c2)CC1 2325885332 BOOTWPFYFYYZJH-UHFFFAOYSA-N 366.421 2.521 0 50 FFAA Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H]2C(=O)NCC2(C)C)cc1 912634976 COEACFQOFRXWJI-QGZVFWFLSA-N 357.479 2.610 0 50 FFAA C[C@H]1CCc2c(sc(NC(=O)c3cccc(C(=O)O)c3)c2C(N)=O)C1 1190432 YWNPSMVMVWEYHX-VIFPVBQESA-N 358.419 2.922 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 4841137 PMRDMJMGWJZYCZ-ZDUSSCGKSA-N 354.834 2.716 0 50 FFAA CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 6728985 OJSAXDZBLBNBKN-UHFFFAOYSA-N 360.435 2.795 0 50 FFAA CCCCC(=O)N1CCC2(CC1)CN(CC[C@H](C)SC)CCN2C 106742067 IYNHKWYSOCSIKV-KRWDZBQOSA-N 355.592 2.927 0 50 FFAA O=C(N[C@H]1CCc2ncnn2C1)c1cccc(NC(=O)C2CCCCC2)c1 112655090 LBFQNFWSKBSGII-KRWDZBQOSA-N 367.453 2.542 0 50 FFAA Cc1cccc(CN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C(C)C)c1 55283897 VTNHSFRRJKIASU-UHFFFAOYSA-N 351.406 2.576 0 50 FFAA COc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)cc(Cl)c1OC 104361735 LVZLXUPSEJQPIZ-OAHLLOKOSA-N 356.894 2.634 0 50 FFAA O=C(O)c1ccc(N2CCCCC2)c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100727934 UIXOIIZNZCFWQM-DSIZOQBWSA-N 366.417 2.687 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](OC)C2)cc1Cl 105620712 YWCHRUNBBNVBOF-VIFPVBQESA-N 354.255 2.802 0 50 FFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(Cl)ccc1Cl 55053924 NABURGRZXBZYSH-UHFFFAOYSA-N 366.252 2.544 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)c(Cl)c1 247886666 TYPUBXZMJRHRRK-OAHLLOKOSA-N 372.918 2.524 0 50 FFAA Cn1cc(-c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)c(C(F)(F)F)n1 350498554 STGPIPHVJZXAMV-UHFFFAOYSA-N 372.328 2.559 0 50 FFAA COc1ccccc1N1C[C@@H](c2nc(-c3c(C)nn(C)c3C)c[nH]2)CC1=O 23506025 VLHWAMLFOQFLIV-AWEZNQCLSA-N 365.437 2.956 0 50 FFAA Cc1cccc(C)c1OCCOC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 249695190 QHUVCVINKGVAEF-GVDBMIGSSA-N 371.433 2.565 0 50 FFAA OC[C@@]1(CCCc2ccccc2)CCCN(c2ncnc3[nH]cnc23)C1 67895549 LWNYYCMWVFYQMX-FQEVSTJZSA-N 351.454 2.955 0 50 FFAA Cn1cnc2cc(-c3nc([C@@]4(c5ccc(F)cc5)CCOC4)no3)cnc21 67854959 WLYMMTGPKQOQPM-IBGZPJMESA-N 365.368 2.864 0 50 FFAA CC(C)N(CCO)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67604267 OOQKUEKNGZJOSM-UHFFFAOYSA-N 358.438 2.975 0 50 FFAA CCn1c(-n2cc(C3=CCN(CCOC)CC3)cn2)nc2ccccc21 65386863 RQBSAOQHJBJVPS-UHFFFAOYSA-N 351.454 2.977 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)C2=CCCCCC2)CC1 328645164 SAYDIXMFNKEFQJ-QGZVFWFLSA-N 357.502 2.762 0 50 FFAA Cc1[nH]nc(CCC(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)c1C 72474628 JAQMBKNCSLSXPJ-UHFFFAOYSA-N 355.417 2.943 0 50 FFAA CCCCN1C[C@]2(CCCN(Cc3cnc(N(C)C)nc3)C2)CCC1=O 77471728 IZAXGECHDOJUSO-HXUWFJFHSA-N 359.518 2.547 0 50 FFAA O=C([C@H](O)c1ccc(Cl)cc1)N1CCC(OCc2cccnc2)CC1 77472620 HVNGDWTUVJXIEI-GOSISDBHSA-N 360.841 2.976 0 50 FFAA CCn1nc(CO)c2c1CCN(Cc1ccc3cccc(OC)c3n1)C2 215161026 MGBOUIPENWNOKR-UHFFFAOYSA-N 352.438 2.510 0 50 FFAA Cn1ccnc1CN1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 215618923 HBHASXQZFYVXJP-UHFFFAOYSA-N 354.502 2.576 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3C(=O)C4(CCCC4)N=C3O)CC2)cc1 329483662 QGGDLYVCNKSEHP-UHFFFAOYSA-N 355.438 2.669 0 50 FFAA O=C([C@@H]1CCc2nncn2C1)N1CCCC[C@H]1c1nc2ccccc2o1 328950881 XBYSXVCHAHPUJE-HIFRSBDPSA-N 351.410 2.736 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 172493577 MRTWIJZHBBBRHR-CYBMUJFWSA-N 368.364 2.579 0 50 FFAA CNCCN1C(=O)CC[C@H]2CN(Cc3[nH]c4ccccc4c3C)CC[C@H]21 72426806 ZYRWDILAQNEWGU-OXJNMPFZSA-N 354.498 2.509 0 50 FFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccnn2C)cc1 215288784 ITSPYXORWZTOTL-IBGZPJMESA-N 357.454 2.569 0 50 FFAA Cc1ccc(C2(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)CC2)cc1 219641391 LPUVBWWOIBAEHY-QZTJIDSGSA-N 372.490 2.974 0 50 FFAA O=C(CN1CCC(c2cc(N3CCCC3)ncn2)CC1)N1CCCCCC1 72420001 FDEOGLWMEDLPHO-UHFFFAOYSA-N 371.529 2.659 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCC(Oc2ccc(F)cc2)CC1 77322424 PJUBOPNMKGZRLW-UHFFFAOYSA-N 362.445 2.988 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 72426438 YCNRYXJOLOUZQQ-HXUWFJFHSA-N 374.525 2.763 0 50 FFAA COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@]21c1ccc(Cl)cc1 33838095 GKDAJZXSLMHDJA-VCBZYWHSSA-N 355.777 2.570 0 50 FFAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]c4c3CN(C)CC4)C2)cc1C 72153517 KXHUHMGBBPBGBM-QGZVFWFLSA-N 367.497 2.731 0 50 FFAA O=C(NCCc1nc(-c2ccccn2)no1)c1cc(-c2ccsc2)n[nH]1 218971184 BHUFJHFCUUGIIR-UHFFFAOYSA-N 366.406 2.556 0 50 FFAA CCCCN1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1=O 72409725 HYYBLLYZLQTUPZ-UHFFFAOYSA-N 368.481 2.633 0 50 FFAA O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(c2ccncc2)CC1 219457388 BNBBTLOCBYLOHJ-QGZVFWFLSA-N 367.424 2.980 0 50 FFAA CN(C)Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)o1 72141841 YUACZFFBSPDMLM-LJQANCHMSA-N 367.493 2.657 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1 174800827 KMEFZLGSZZBZTQ-QGZVFWFLSA-N 368.485 2.839 0 50 FFAA CCN1CC2(CCN(Cc3cc(OC)ccc3-n3cccn3)CC2)OC1=O 72426220 FVKMFMZWDWBFQS-UHFFFAOYSA-N 370.453 2.688 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 77378712 KQKXDMHLUMGMPE-OAHLLOKOSA-N 373.420 2.534 0 50 FFAA CN1CCN(c2cc(CN[C@H]3CCCc4ccc(O)cc43)ccn2)CC1 284162703 PXVJHKCGRDWSHH-FQEVSTJZSA-N 352.482 2.706 0 50 FFAA FC(F)(F)[C@H]1CCN(c2nnnn2-c2ccccc2)CC12CCOCC2 334055662 VADOCWYXDDPJPC-AWEZNQCLSA-N 367.375 2.848 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@H](C(=O)O)C1 237768233 LQMKGZSGWLPSKU-NSHDSACASA-N 365.792 2.910 0 50 FFAA Cc1ccc(-c2cc(C(=O)N(CCC(=O)O)C3CCOCC3)on2)cc1 237700887 LIJLCZYZMPSOTD-UHFFFAOYSA-N 358.394 2.746 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)CSc2ncccn2)cc1 220196633 ARKFZMGFEZWXEZ-QGZVFWFLSA-N 356.495 2.994 0 50 FFAA Cc1nc(NC(=O)NCC(C)(C)C(N)=O)sc1Cc1ccc(F)cc1 241287513 LMBSCAUGISKCTC-UHFFFAOYSA-N 364.446 2.814 0 50 FFAA O=C(NCc1cccc(N2CCC2=O)c1)c1cncc(Br)c1 241644544 PRPXXYJFTALVIU-UHFFFAOYSA-N 360.211 2.511 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H](C)n2ccc3ccccc3c2=O)C[C@H]1n1ccnc1 287899354 CGHDFCNTUOPATF-GPMSIDNRSA-N 364.449 2.869 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2ccnc(-n3cnnc3)c2)no1 426649558 ICWQHNULBPHLNK-OAHLLOKOSA-N 352.398 2.751 0 50 FFAA CC(C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 223235358 MLFZYKKXMSDLTC-MRXNPFEDSA-N 367.457 2.722 0 50 FFAA Cc1nnc(CCNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)s1 426571355 CAHPZWIWJRYEAB-UHFFFAOYSA-N 355.423 2.746 0 50 FFAA O=C(c1cncc(CC[C@H]2COc3ccccc3O2)n1)N1CCCCC1 222346015 GYXBSPHGEGXQCR-INIZCTEOSA-N 353.422 2.875 0 50 FFAA CNc1ccnc(N2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3)C2)n1 426628318 RRYZUYQPNVWNLY-FQEVSTJZSA-N 373.451 3.289 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1ccc(Cl)cn1)CC2 95513373 ZVLDLDFVLSCWRW-UHFFFAOYSA-N 359.861 2.749 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(=O)(=O)N(C)C 91620744 NCTZYEHAQWMFLO-HNNXBMFYSA-N 362.499 2.590 0 50 FFAA Cn1ccnc1CN(CCO)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 426580672 GLELSKHHDOZPTF-ZWKOTPCHSA-N 356.470 2.650 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2O)c1 179402771 WHWDZEPWZLRNOJ-INIZCTEOSA-N 352.394 2.660 0 50 FFAA O=C1C[C@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C2(CCCC2)O1 97823035 UZWMDXGWNOMREC-QGZVFWFLSA-N 374.456 2.736 0 50 FFAA C[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2ncsc2n1 95391757 OIMDUTWOOPMGOH-CQSZACIVSA-N 369.494 2.848 0 50 FFAA Cc1ccc(-c2cccc(CN3CC[C@@H](N4CCOCC4)[C@H](O)C3)c2)o1 23128986 HVPHRHYVBBFOGI-WOJBJXKFSA-N 356.466 2.522 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1Cc2ccccc2CN1C 95371529 KEQGSEPHXIDMQC-SFHVURJKSA-N 352.463 2.706 0 50 FFAA CC(C)CCn1nccc1NC(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 96133014 VWRAFYDQBHCEAB-QGZVFWFLSA-N 373.432 2.773 0 50 FFAA O=C(Nc1ccnn1CC1CCCCC1)N1CCC(n2cnnc2)CC1 97522385 CNGXFZOGDRXTCT-UHFFFAOYSA-N 357.462 2.924 0 50 FFAA O=C(C1CCCC1)N1CCC(c2nc(-c3ccccc3)nn2CCO)CC1 96140109 ODVKDRNTPUONRR-UHFFFAOYSA-N 368.481 2.834 0 50 FFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C2CCOCC2)CC1 95391328 XXBJHEFRHNZMTQ-UHFFFAOYSA-N 371.525 2.609 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)CCC(=O)c1ccc(F)cc1)CC2 95354495 BLPBRQJWIAHCFH-SFHVURJKSA-N 363.429 2.975 0 50 FFAA O=C([C@H]1COc2ccccc2C1)N1CCC(OCc2ccccn2)CC1 91846740 LLZHHFBPKNASQH-QGZVFWFLSA-N 352.434 2.841 0 50 FFAA O=C(CN1CCCCC1=O)NC[C@H](c1ccccc1)N1CCCCCC1 97772998 RVFPVISXMCCDLL-LJQANCHMSA-N 357.498 2.732 0 50 FFAA O=C(NCCCc1ccccc1F)c1nccnc1C(=O)N1CCCCC1 97272455 FAHCHERQTWIADQ-UHFFFAOYSA-N 370.428 2.604 0 50 FFAA Cc1cccc(-n2nc(COc3ccccc3)nc2CN2CCOC2=O)n1 97729798 TUAJTBBNFISIHI-UHFFFAOYSA-N 365.393 2.502 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244715774 LCCPCXUDEUNZBC-QHRIQVFBSA-N 359.495 2.911 0 50 FFAA O=C(NCc1ccccc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263615101 AOJBYYYTQLFWTN-KRWDZBQOSA-N 352.369 2.619 0 50 FFAA C[C@H](NC(=O)CCc1nc(-c2ccco2)no1)c1nncn1C1CCCC1 299761762 YWWLHZLISWZLMH-LBPRGKRZSA-N 370.413 2.846 0 50 FFAA C[C@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1nc(C2CC2)no1 584888476 JWKQHNGNXLNVCE-ZDUSSCGKSA-N 371.441 2.794 0 50 FFAA COCCCn1cnnc1CNC(=O)c1ccc(-c2ccc(C)o2)cc1 670448176 NTZJMAAEXODIKK-UHFFFAOYSA-N 354.410 2.813 0 50 FFAA CC[C@H](C)N(Cc1ccsc1)S(=O)(=O)c1cc(C(N)=O)cs1 952972451 VTNCUDRWJXKCAI-JTQLQIEISA-N 358.510 2.898 0 50 FFAA Cn1nc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1OC(F)F 185502914 PSQQMPWPCHMIPI-UHFFFAOYSA-N 350.369 2.511 0 50 FFAA C[C@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)CC[C@H]1c1ccccc1 741808377 RZZYBGRMACHNSF-FXAWDEMLSA-N 372.509 2.914 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C(C)C)c3)CCO2)cn1 189227819 YQUBDNLPFCWHCE-GOSISDBHSA-N 363.483 2.789 0 50 FFAA Cc1noc(C)c1CN1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 192161202 QZZQBSCSYFTTEE-UHFFFAOYSA-N 368.359 2.663 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccn(Cc3ccncc3)n1)CO2 195313756 GWCVQSLSSGLEIH-MRXNPFEDSA-N 364.405 2.525 0 50 FFAA CCn1nc(C)cc1C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529145979 RORJEGUHUMJGST-APWZRJJASA-N 364.449 2.747 0 50 FFAA CCc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)o1 215483181 NPCOJXDNRCPACJ-BEFAXECRSA-N 356.470 2.621 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704338856 HRMSDLXQZFPICH-AEFFLSMTSA-N 371.506 2.595 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ncccc2O)CC1 1704338511 UBQBZRAURNYRAG-UHFFFAOYSA-N 354.406 2.500 0 50 FFAA Cc1ncc(CN(CCN(C)C)Cc2cn(C)nc2-c2ccccc2)[nH]1 1704354556 GKGWVFAZJFZIJN-UHFFFAOYSA-N 352.486 2.682 0 50 FFAA Cc1ccc(N2CCC(N3CCOC[C@H](C(=O)O)C3)CC2)cc1Cl 1772811121 SDUHSQFPQOMWFL-CQSZACIVSA-N 352.862 2.650 0 50 FFAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775979765 YMPZQRMEHSTRHO-OAQYLSRUSA-N 361.449 2.930 0 50 FFAA COc1ccc2[nH]c(=O)c(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2c1 5028280 HXRDQFWCXYMHPK-UHFFFAOYSA-N 372.446 2.666 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)CCCc3ccc(F)cc3)C2)CC1 12055500 FYWVOYYWXLTEGC-LJQANCHMSA-N 361.505 2.823 0 50 FFAA O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCC[C@H](O)C1 12304243 FRTHYEOXNWSBDO-LBPRGKRZSA-N 370.327 2.869 0 50 FFAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1C 12318324 JWOKPTSFZYKGRM-KRWDZBQOSA-N 366.421 2.795 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCN3CCCO3)C2)cc1 12704289 QEQICQUZFMQMII-NRFANRHFSA-N 373.541 2.993 0 50 FFAA CN(CCC1CCOCC1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 14955170 LCGDFIMLGQFCRH-UHFFFAOYSA-N 362.861 2.869 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 15077233 TYRHOAUVSFFERS-CQSZACIVSA-N 364.467 2.576 0 50 FFAA Cc1cnc(N[C@H]2CCO[C@@H]2C2CCN(C(=O)c3ccccc3)CC2)nc1 1857531997 LEYPEAQADIDPMG-RBUKOAKNSA-N 366.465 2.907 0 50 FFAA CCCN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)NCCc1cn[nH]c1)C2 1857714194 VAIUECIWGQYWDZ-TUNNFDKTSA-N 366.509 2.944 0 50 FFAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCC(F)(F)C1 427334095 GGZLHQSTFSQXHV-GFCCVEGCSA-N 355.776 2.688 0 50 FFAA C[C@H]1CC[C@@H](C)N1C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 246343183 HFMJQGZQNMKBCG-QLFBSQMISA-N 359.470 2.987 0 50 FFAA CN(C)C(=O)CN1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1 266291559 AFIFTFRQGOGMIZ-UHFFFAOYSA-N 371.525 2.629 0 50 FFAA CN1CCC(N(CCO)C(=O)c2cccc(Nc3ccccc3)c2)CC1 911939510 VLPDBISDRKOJON-UHFFFAOYSA-N 353.466 2.959 0 50 FFAA COc1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)c(OC)c1 952883330 YWTZRWPYLYBUQE-UHFFFAOYSA-N 360.414 2.713 0 50 FFAA Cc1nc2ccccc2n1C1CCN(C(=O)[C@@H]2CCc3ccnn3C2)CC1 1875293510 SOUBAPCSUYMITR-MRXNPFEDSA-N 363.465 2.967 0 50 FFAA CC(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@@H]2CC1 1875361608 WQZPEGQDTMIWCT-CALCHBBNSA-N 356.466 2.683 0 50 FFAA CC(C)C[N@]1C[C@@H]1COc1ccc(CCO)cc1-n1nc2ccccc2n1 1875385337 RAHRHNPBQIMEBD-MZNJEOGPSA-N 366.465 2.674 0 50 FFAA COC(=O)[C@@H]1[C@@H]2CCCC[C@@H]2[C@H]1NC(=O)c1ccc2nc(C)n(C)c2c1 1875344678 IRLZZTFSCNKWED-LTCOOKNTSA-N 355.438 2.589 0 50 FFAA CCn1nc2c(c1C(=O)N1CCC(Cc3cc[nH]n3)CC1)C[C@H](C)O[C@@H]2C 1875314330 RVACABOMJPMDNW-UONOGXRCSA-N 371.485 2.743 0 50 FFAA O=C(NC1CCC2(CC1)C[C@@H]2N=c1nc(C2CC2)[nH]s1)c1ccoc1 1875407509 BMTBATRKHGNZPW-FVRSWCFKSA-N 358.467 2.974 0 50 FFAA COc1cccc(-c2cc(CNC(=O)c3cnc4cnn(C)c4c3)no2)c1 2100482743 VVBFKKJAVCNGRG-UHFFFAOYSA-N 363.377 2.562 0 50 FFAA O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@@H]1CCC[C@H](OC(F)F)C1 2325766445 UCUUPTVREZQZBN-JOVKLMRISA-N 366.364 2.697 0 50 FFAA O=C(O)C[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)c1nccs1 2325788359 APHRLWOVXREBGH-NSHDSACASA-N 356.407 2.614 0 50 FFAA C[C@@H]1C[C@H]1c1nnc2ccc(N3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790697 BLGDCOVKNZLWBD-VNQPRFMTSA-N 363.469 2.514 0 50 FFAA O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CC[C@H]1F)c1ccc2c(c1)CCCCN2 2325867970 KMLCRRFPMYYCTK-GVDBMIGSSA-N 359.445 2.514 0 50 FFAA CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C1=S 754288 REVIXRQYULSBLA-FUHWJXTLSA-N 363.442 2.947 0 50 FFAA O=C1CC[C@@](NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O1 826656 UDEUXDFROWZKJG-FQEVSTJZSA-N 369.373 2.690 0 50 FFAA CCc1cc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)cnc2s1 958878 WEHSVCRRYVAWTH-UHFFFAOYSA-N 373.434 2.676 0 50 FFAA COC(=O)c1ccnc(NC(=O)c2ccc(CN3CCC(C)CC3)o2)c1 2356137442 YELHIDHCGAOEDQ-UHFFFAOYSA-N 357.410 2.945 0 50 FFAA c1cc2c(s1)CCOC21CCN(Cc2cc3n(n2)CCCNC3)CC1 2356153338 BRTGVTFBFZLNMK-UHFFFAOYSA-N 358.511 2.502 0 50 FFAA Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1cccnc1 2865772 PKSSJQPMTRVLPP-UHFFFAOYSA-N 354.391 2.581 0 50 FFAA CCc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 2978595 KWVYHUVAERWZFF-UHFFFAOYSA-N 354.516 2.812 0 50 FFAA COc1ccc(Nc2nc(NCc3ccco3)nc(OC)n2)c(OC)c1 4455974 RUPUZCUXSFNTGL-UHFFFAOYSA-N 357.370 2.846 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)CSc2nccc(C)n2)s1 6726971 OAOXLBVQNZEHSB-UHFFFAOYSA-N 351.453 2.926 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)cc1 55462680 HATAYPNEKXQEMF-CVEARBPZSA-N 352.500 2.580 0 50 FFAA Nc1ccnc(CSc2cc(C(=O)NC3CC3)c3ccccc3n2)n1 134496774 HWRBSGKCMPFXNE-UHFFFAOYSA-N 351.435 2.792 0 50 FFAA CC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 27647266 ZZMKOZNTEJVKRY-BHJQBGSSSA-N 350.455 2.905 0 50 FFAA in-vitro CCOc1cc(NC2CCN(c3nc(C)nc4[nH]ccc34)CC2)ncn1 466450683 YHDVTLPLMQTUAX-UHFFFAOYSA-N 353.430 2.536 0 50 FFAA Cc1cccc(-c2nc(N)nc3c2CN(C(=O)c2ccc(CO)o2)[C@@H]3C)c1 67818328 KOGLYPOPPZNACF-GFCCVEGCSA-N 364.405 2.837 0 50 FFAA O=C(O)CC[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 139244750 FTAHKNJFWRCLTG-JKSUJKDBSA-N 370.380 2.974 0 50 FFAA COc1ccccc1S(=O)(=O)C[C@H](O)COc1ccc(F)cc1Cl 1399263 NJAJQTWTPCRFAA-GFCCVEGCSA-N 374.817 2.701 0 50 FFAA COc1ccc(OC)c(CC(=O)N(CCO)Cc2ccc(Cl)cc2)c1 252489972 KGNLRLJOQWWXAR-UHFFFAOYSA-N 363.841 2.921 0 50 FFAA COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccsc1C(=O)O 319717798 ZZOJXSQWZFTLMA-QMMMGPOBSA-N 359.400 2.634 0 50 FFAA O=C1COc2ncc(I)cc2N1Cc1ccccc1 38534154 BKGCQXKQWKTXCS-UHFFFAOYSA-N 366.158 2.612 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 328591264 VKNSGDRTTQJUJK-DWIQEWEKSA-N 372.509 2.606 0 50 FFAA Cc1ccc(O[C@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)cn1 328641493 XZIFCVGVBUMJKI-KRWDZBQOSA-N 350.415 2.512 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)c2cc(C)oc2C)CC1 328640893 QHUBPYOOLJFAKO-SFHVURJKSA-N 370.453 2.730 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)Cc2csc(C)n2)n1 72409663 HDQWYKCBULYNRA-VIFPVBQESA-N 360.405 2.970 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3ccc(CO)o3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72161298 MUGPHYYBIIQPSU-HMXCVIKNSA-N 366.461 2.783 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c1C 71750077 LMENDSLSMKACBV-KRWDZBQOSA-N 373.497 2.943 0 50 FFAA CCc1ccc(Cn2nnc(C(=O)NC[C@@H](O)c3ccccc3)c2C)cc1 242183920 XDAKLNXIHQCQIB-LJQANCHMSA-N 364.449 2.661 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N(C)CCc3ccccn3)c12 72419039 CGMMYDVKGXCLBQ-UHFFFAOYSA-N 359.437 2.808 0 50 FFAA Cc1nnnn1-c1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)c(F)c1 448912080 PCMIEOMKKZBEQA-GFCCVEGCSA-N 351.385 2.949 0 50 FFAA Cc1cc2ncn(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)c2cc1C 131664194 AXPDWNFDFCVRPU-MRXNPFEDSA-N 365.433 2.978 0 50 FFAA CN(C[C@@H]1CCCN1C)c1nc(CCc2ccccc2)nc2c1cnn2C 72152911 IYLNHQKVKMYOAC-KRWDZBQOSA-N 364.497 2.679 0 50 FFAA CN(C(=O)c1ccc2nc(S)oc2c1)[C@H]1CCCC[C@H]1S(C)(=O)=O 129824793 QSLZAEORGQCJSO-GXTWGEPZSA-N 368.480 2.544 0 50 FFAA CCN1CCO[C@@H](C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 174507117 TWHDQNUPVALCNP-GOSISDBHSA-N 368.437 2.990 0 50 FFAA O[C@H]1Cc2ccccc2C12CCN(Cc1cn(-c3ccccc3)nn1)CC2 72164299 FWYUGUAGEMQENS-NRFANRHFSA-N 360.461 2.718 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccn1)C[C@@H]1CCCO1 219509993 MYTRYDGHOVRDKM-KRWDZBQOSA-N 354.406 2.561 0 50 FFAA c1cc2c(c(OCc3nc(-c4ccc5c(c4)OCO5)no3)c1)OCCO2 71764067 JOEVXXFTPJTFEP-UHFFFAOYSA-N 354.318 2.816 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(CC)c2C)cc1 14229637 OEKKEKZXZLIDLY-UHFFFAOYSA-N 351.472 2.739 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 225645142 CDXZRWCETYMXEM-WYUUTHIRSA-N 361.703 2.952 0 50 FFAA COc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c2ccccc2n1 220714958 OYCRYJNNHYOHQE-MSOLQXFVSA-N 356.422 2.557 0 50 FFAA Cc1c(C(=O)N(C)Cc2ccc3nsnc3c2)sc2[nH]cnc(=O)c12 426419996 FQJXTGMIVYDGHK-UHFFFAOYSA-N 371.447 2.570 0 50 FFAA C[C@H]1CCc2n[nH]c(C(=O)N3CCN(c4ccccc4Cl)C(=O)C3)c2C1 82148358 QSRGVSZLRSUCTF-LBPRGKRZSA-N 372.856 2.677 0 50 FFAA CCOc1ncccc1C(=O)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 48337809 IQNHRSDVAMHCHV-AWEZNQCLSA-N 355.442 2.502 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2nc(=NC)cc(C)[nH]2)cc1)c1cnn(C)c1 426534376 FDZNBPJQBOZMTL-KRWDZBQOSA-N 364.453 2.530 0 50 FFAA CN(Cc1nncn1C)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 426442979 PVRPLZHKTFOKGP-GOSISDBHSA-N 370.501 2.574 0 50 FFAA COCC(=O)N1CCCN(C(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 95379989 ROZGFDODDBLACM-UHFFFAOYSA-N 359.253 2.623 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c(C)n1 96834914 MXHGEBMLUOVYQR-JOCHJYFZSA-N 370.541 2.979 0 50 FFAA COc1ccc(NC(=O)N[C@@H](C)Cc2cccnc2)cc1C(=O)N(C)C 96132969 VIHPRFLFDBTOTM-ZDUSSCGKSA-N 356.426 2.545 0 50 FFAA Cc1c(CN(C)C(=O)N[C@H](C)CCN2CCOCC2)[nH]c2ccccc12 426716092 NGRFKPRPRZNMMR-OAHLLOKOSA-N 358.486 2.729 0 50 FFAA O=C(Nc1ccc2nn[nH]c2c1)N1CCC(OCc2cccnc2)CC1 95517987 UGFODWLFEYTVSF-UHFFFAOYSA-N 352.398 2.566 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)C1 91779239 RBJDLXMTOVTTPD-HNNXBMFYSA-N 372.444 2.667 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC4(CC3)C(=O)N(C)c3ccccc34)cn2c1 91596085 LYOOSEPVEIYGQT-UHFFFAOYSA-N 374.444 2.793 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 91617092 YRJMIDZFJOZELB-ZDUSSCGKSA-N 370.482 2.563 0 50 FFAA NC(=O)Cc1nc(-c2ccc(CN3CCCC3)o2)n(CC2CCCCC2)n1 96151530 QSVJCGHQEHUMEW-UHFFFAOYSA-N 371.485 2.742 0 50 FFAA COc1ccc(OC[C@H](O)CN(C)C)c(CN2CCC3(CCCC3)C2)c1 95506720 WFYJIUONXQKFGR-GOSISDBHSA-N 362.514 2.763 0 50 FFAA c1ccc(CN2CCC[C@@H]2CN2CCCN(c3ncccn3)CC2)cc1 252497496 QJNTZRQJKDPYEU-HXUWFJFHSA-N 351.498 2.653 0 50 FFAA CCCc1nnc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)s1 252509423 YNQZHVHKWWLCBT-AWEZNQCLSA-N 364.446 2.642 0 50 FFAA CSCC[C@H](C(=O)Nc1ccc2nc(O)c(O)nc2c1)n1cccc1 263587747 KTKNEQCKVRLSBY-CQSZACIVSA-N 358.423 2.775 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)S(=O)(=O)NCc1ccccc1 72145095 BGVNQQKDPXRCPD-UHFFFAOYSA-N 372.494 2.770 0 50 FFAA CCN1CC2(CCN(Cc3ccc(Cn4cccn4)cc3)CC2)OC1=O 72473638 ALTYBFCANJQWSK-UHFFFAOYSA-N 354.454 2.738 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccn3)CC2)on1 299777729 NKMXRTJRJYNDJO-QGZVFWFLSA-N 368.437 2.594 0 50 FFAA O=C1C[C@@H](C(=O)NCCc2csc(-c3ccncc3)n2)C2(CCCC2)O1 299783820 VFPFMSXTLDGIDJ-HNNXBMFYSA-N 371.462 2.740 0 50 FFAA CCn1nccc1-c1nc(Cc2ccc(OC)cc2)nn1CC(C)(C)O 824674493 JFUQGOYKUFFNRA-UHFFFAOYSA-N 355.442 2.532 0 50 FFAA Cn1cc(CC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc21 827855638 PYRSFKAOIGKJGO-MRXNPFEDSA-N 365.433 2.735 0 50 FFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)NCCC(=O)NC1CCCCC1 584894186 JEDLRBZHZWUQOP-LJQANCHMSA-N 374.529 2.770 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)c2cc(C(C)(C)C)nc(O)n2)c1 670450651 ULHQYWFYWQGFQR-UHFFFAOYSA-N 356.426 2.547 0 50 FFAA O=C(Cc1ccc(NC(=O)c2nc3ccccn3c2F)cc1)NC1CC1 952962135 AULHEHWGLZVBRK-UHFFFAOYSA-N 352.369 2.547 0 50 FFAA CCc1ccc(S(=O)(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)s1 952962148 BUYFLVTUMASSPL-CYBMUJFWSA-N 370.540 2.722 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565510852 YNNFDECJEQZLNF-BEFAXECRSA-N 355.482 2.616 0 50 FFAA CCC(CC)C(=O)N1CCC(Nc2ccc3nnc(C(F)F)n3n2)CC1 268503717 STAXXZDTHCJUOA-UHFFFAOYSA-N 366.416 2.901 0 50 FFAA O=C(NCC1CCN(CC(F)(F)F)CC1)NC1Cc2ccccc2C1 186657105 KMHHXKJBVHBIJQ-UHFFFAOYSA-N 355.404 2.727 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H]1c1cccc(C)n1)C2=O 167512803 FTWYEKHBKSORBR-SFHVURJKSA-N 363.417 2.658 0 50 FFAA Cn1ccnc1CN(C(=O)c1cc2ccccc2o1)[C@H]1CC12CCNCC2 275540401 DMPACRNEKZHQGS-SFHVURJKSA-N 364.449 2.951 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 186117890 DCVFSKSJYYITLC-OAHLLOKOSA-N 364.461 2.527 0 50 FFAA COC(=O)N1CCC([C@H](C)NC(=O)c2ccccc2-c2nnc(C)o2)CC1 189212533 HWRSANSZELSTPJ-LBPRGKRZSA-N 372.425 2.642 0 50 FFAA Cc1nn(C)c(C)c1CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 1529192200 RNFMUICOZZNHNC-UHFFFAOYSA-N 371.872 2.863 0 50 FFAA COc1ccc(CC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529142199 HLDTYCYMTSQCOC-TZIWHRDSSA-N 366.461 2.522 0 50 FFAA CC(C)(C)C[C@@H](NC(=O)c1cc(N2CCOCC2)no1)c1cccnc1 1772817456 PTTAMKWLPIJEPG-OAHLLOKOSA-N 358.442 2.814 0 50 FFAA CC(C)OCCCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 12382727 NPPVQDPVOMCTFY-UHFFFAOYSA-N 371.462 2.968 0 50 FFAA O=C(Cn1cncn1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 12457749 VBDWZTPXTQZHQU-FQEVSTJZSA-N 359.518 2.563 0 50 FFAA Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 14960098 GXIONQYQPXAVJM-LJQANCHMSA-N 355.526 2.950 0 50 FFAA COc1ccc(CCN(Cc2cnn(C)c2)CC2CCN(C)CC2)cc1 14977215 FMCSFKKUYDBTAE-UHFFFAOYSA-N 356.514 2.815 0 50 FFAA COCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 18136774 MXGBQPOUAROQBD-UHFFFAOYSA-N 374.249 2.954 0 50 FFAA c1ccc(OCCN2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 19228422 KEFRMHVLUOQESG-UHFFFAOYSA-N 370.478 2.995 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)cc(OC)c1 19731447 IINVQBISJCKUFA-SFHVURJKSA-N 374.481 2.674 0 50 FFAA CCN(CC)c1ccc([C@@H]2[C@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 19771497 NBLIITIVEKGZFS-XRXFAXGQSA-N 359.466 2.751 0 50 FFAA Cc1ccc(F)cc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 169760200 DGADTYBAZCLZOB-UHFFFAOYSA-N 368.412 2.851 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1ccc(C)cc1 222414360 HULXVVCQZRDHTL-NQIIRXRSSA-N 374.444 2.683 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 416521978 IHBYITKJTVPMTF-GRDNDAEWSA-N 373.902 2.996 0 50 FFAA Cc1ccc(-n2cc(S(=O)(=O)N(C[C@H](C)O)c3ccccc3)cn2)cc1 134119184 LXCMJHYPBZDSPA-INIZCTEOSA-N 371.462 2.757 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1COc2ccc(Cl)cc2C1 363398856 PUEYHQJFZCWORW-BBRMVZONSA-N 361.829 2.905 0 50 FFAA CN(CCc1nccs1)C(=O)NC1CCN(Cc2ccccc2)CC1 162755250 WQVZTNZVCNAGKG-UHFFFAOYSA-N 358.511 2.992 0 50 FFAA O=C(Cc1cc2cc(Cl)ccc2[nH]1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 839759389 YFWPEWRALTWMDQ-SNVBAGLBSA-N 359.817 2.594 0 50 FFAA C[C@H]1CCN(c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)ccn2)C1 828303637 VBMLQFRSOUNLEI-KSSFIOAISA-N 365.433 2.580 0 50 FFAA C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)c2ccccc2CN)C1=O 1875315049 GEPOZELDBGQCBG-KUHUBIRLSA-N 369.440 2.766 0 50 FFAA COCc1sccc1C(=O)N[C@@H]1CCC[C@H](NC(=O)[C@@H](C)SC)C1 1875333004 UTBFSQXVDFNJID-FRRDWIJNSA-N 370.540 2.803 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 1875365586 CWNGLSURIPYNTE-OAHLLOKOSA-N 371.264 2.568 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)Nc2nc(C)nn2[C@H]1c1cccnc1 2221425 SROCTOJQMHESDB-SFHVURJKSA-N 361.405 2.971 0 50 FFAA C[C@@H](CN(C)C(=O)C[C@@H](c1ccccc1)C1CC1)NC(=O)c1cnc[nH]1 2325874753 ZVCYUCPOBXHWIU-YOEHRIQHSA-N 354.454 2.570 0 50 FFAA C=CC(=O)NCCC(=O)N1CCc2cc(Cl)cc(Br)c2C1 888622353 GCEVVAMEDBPSSG-UHFFFAOYSA-N 371.662 2.680 0 50 FFAA COc1ccc(CC(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)cc1OC 849562 GNSAWCHPDKOPJO-YJYMSZOUSA-N 357.406 2.591 0 50 FFAA O=C(NN1CCOCC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12 1073491 XGWDQQKXGCBEMT-UHFFFAOYSA-N 368.824 2.927 0 50 FFAA CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C1C 2926339 AHWLLKNPAVJUIZ-OAHLLOKOSA-N 352.818 2.890 0 50 FFAA N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 3903605 NOEXGWBQVAIPIR-QMMMGPOBSA-N 351.737 2.854 0 50 FFAA COc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 4838365 VGOKALVMSQHAED-LLVKDONJSA-N 374.890 2.562 0 50 FFAA Cc1n[nH]c([C@H](C)NC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)n1 55413075 WOCBECCLBIBREH-QMMMGPOBSA-N 353.785 2.502 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C[C@H]1CCCO1)c1ccncc1 246372662 MHNFBCLGJHOPDL-ZSZQSSIHSA-N 354.406 2.822 0 50 FFAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(OC)c3c(c2)OCO3)oc1C 55165970 VZTFTIHIWLBZTO-AWEZNQCLSA-N 374.393 2.525 0 50 FFAA CCc1c(C)nn(CCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)c1C 55108723 VKVNVTTXPKUXBM-QGZVFWFLSA-N 358.486 2.684 0 50 FFAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2nnnc2C)c1 55053620 DJIBRQMXUKBDSZ-CQSZACIVSA-N 350.426 2.807 0 50 FFAA COc1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 20529921 ZUOLBPSADLTMNT-VMPITWQZSA-N 366.461 2.932 0 50 FFAA O=C1C[C@H](NCc2cccn2-c2ccccn2)CN1Cc1ccc(F)cc1 20865004 KLCBNXHVCMLKIR-SFHVURJKSA-N 364.424 2.902 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccco2)CC1 20258755 YZUDDVYYSPGTRL-UHFFFAOYSA-N 363.845 2.698 0 50 FFAA CC[C@H](C(=O)N1CCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 65364496 RUUVJYQCOREIOL-CQSZACIVSA-N 362.854 2.646 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc3cccnc3n2)C[C@H]1O 65502636 YAKFBWCYFAOFSR-GDBMZVCRSA-N 353.447 2.990 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)[C@H](C(=O)O)C1 17073968 KYZBFBFWBZDZAH-QZTJIDSGSA-N 358.438 2.909 0 50 FFAA O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-n2cccc2)cc1 136475046 RJRVEJCKEMLHIN-SFHVURJKSA-N 351.450 2.998 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2coc(COc3cccc4cnccc34)n2)C1 67842772 JISKFIJSEWAJTR-HNNXBMFYSA-N 366.421 2.578 0 50 FFAA Cc1ccc(CN2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc1 20601662 NYWUYSCTFUJOTF-NRFANRHFSA-N 356.514 2.841 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(C)c(C)c2)cc(-n2ccnc2C)n1 67601988 JYMHZOMWHDYXQC-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 281914904 CKPNZWBPPCGBPJ-UONOGXRCSA-N 359.499 2.883 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(C)(C)NC(=O)c1cccs1 65372070 KWDINUJUGMZFQI-UHFFFAOYSA-N 362.499 2.936 0 50 FFAA CCCSc1ncc([C@@H]2CC(=O)NCc3nc4ccccn4c32)cn1 65399134 RQZZZEXZGVLOLX-ZDUSSCGKSA-N 353.451 2.778 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4ccc(OC)cc4)ccc3n2n1 30875502 RNGCNKNLIQLZQB-UHFFFAOYSA-N 353.407 2.549 0 50 FFAA CCOC(=O)c1sc2ncn3nc(Cn4nc(C)cc4C)nc3c2c1C 2791251 WVQQSLMWEWRCHF-UHFFFAOYSA-N 370.438 2.686 0 50 FFAA CCn1ncc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1C 11813555 AQMABLPVWXXHAO-MRXNPFEDSA-N 358.461 2.993 0 50 FFAA COc1cccc(OCc2nnc(S)n2-c2ccc3c(c2)OCCO3)c1 6490788 XJLCEKWGWCHLIJ-UHFFFAOYSA-N 371.418 2.915 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)cc(=O)[nH]1 72163836 GQBWOPUXPGFKEX-CYBMUJFWSA-N 355.467 2.910 0 50 FFAA Cc1nccn1C1(C(=O)O)CCN(Cc2ccc3ccccc3n2)CC1 72477161 YBZDVAOSGLOVIH-UHFFFAOYSA-N 350.422 2.816 0 50 FFAA Cn1nccc1CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 215155729 FEMBUDXUDIEVDM-UHFFFAOYSA-N 372.428 2.881 0 50 FFAA Cc1nccn1CCCC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72146217 XDZAFVKOCHPKPC-OAQYLSRUSA-N 366.509 2.673 0 50 FFAA COc1ccccc1-c1nc(CN2C[C@@H]3CC[C@H](C2)N(C)C3=O)c(C)o1 72418353 BEPPURFMLBHNTO-LSDHHAIUSA-N 355.438 2.711 0 50 FFAA CCNC(=O)c1ccccc1OCc1nc(-c2ccc3c(c2)OCO3)no1 71757191 LYWVLGSMIXQGMC-UHFFFAOYSA-N 367.361 2.794 0 50 FFAA O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@@H](Cn2ccnn2)C1 127550355 YBUQNIUNZGISRR-TZMCWYRMSA-N 359.396 2.821 0 50 FFAA CC(=O)N1CCC[C@@H](c2nc(-c3ccc4c(c3)oc(=O)n4C)cs2)C1 127782892 XEPIWUVOAQYLBG-CYBMUJFWSA-N 357.435 2.981 0 50 FFAA Fc1cccc(-n2cc(CN3CCCC[C@H]3CN3CCOCC3)cn2)c1 77539790 MMJFJURXHYDVMD-FQEVSTJZSA-N 358.461 2.698 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ncccc2F)C1 72476047 KDCSWKZGSORPEA-OAHLLOKOSA-N 358.465 2.719 0 50 FFAA O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1S(=O)(=O)c1ccccc1 216470664 PHBRBNNWUXHHBA-ILRDRHFLSA-N 374.483 2.877 0 50 FFAA Cc1nc(C(C)C)sc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 219336663 AZMHAHBTTBHXGH-HNNXBMFYSA-N 370.482 2.662 0 50 FFAA CCn1ccnc1CN(Cc1cccc2c1OCO2)[C@@H]1CC12CCNCC2 261906833 XCFJPWGSCLDYLM-GOSISDBHSA-N 368.481 2.776 0 50 FFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 263011641 XHVLWPGQZKCVCT-KRWDZBQOSA-N 370.380 2.551 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1CCS(=O)(=O)C1 72474976 IUAWEQZLHMCQKX-CYBMUJFWSA-N 364.492 2.593 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3[nH]nc(CC)c3C)CC2)OC1=O 72439609 KAKGJZHWZBLIAA-ZDUSSCGKSA-N 362.474 2.896 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCCO[C@H](Cn2cccn2)C1 215974806 MCWRTWPHRKRLRY-INIZCTEOSA-N 363.845 2.541 0 50 FFAA Cc1cc(C2CCC2)nc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)n1 72422614 BIOMPTXQUGQRNX-MRXNPFEDSA-N 369.517 2.627 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(NCC[C@H]3CCCN3C)c12 72408915 KQWWXEIVZNNPQV-CQSZACIVSA-N 351.458 2.630 0 50 FFAA C[C@@H](CN(C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)O 263340543 NHSVFKUYCYLUBC-VIFPVBQESA-N 369.393 2.679 0 50 FFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(O)n2)c1 426674053 KSVSHOSTXOWFAY-SFHVURJKSA-N 369.465 2.637 0 50 FFAA CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)nn1 48179648 UDPXNCKCPPZMDR-INIZCTEOSA-N 368.481 2.964 0 50 FFAA C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 178017109 SVXXCXUKJMUSSP-CQSZACIVSA-N 366.417 2.934 0 50 FFAA Cc1c(F)cccc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 82166412 CYBHQKYTPOKHOS-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA CCc1cnc(C)nc1-c1cccc(C(=O)N[C@@H](C)c2nnc(N)s2)c1 426518759 KDYIXNBMHUZZFX-JTQLQIEISA-N 368.466 2.939 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)CC1 179008707 KXNIWXTYILEWFC-NVXWUHKLSA-N 361.486 2.609 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)NCc2ccc(CN3CCCC3)cc2)C1 292260461 GBIXIOYTDYHLJX-NRFANRHFSA-N 359.514 2.977 0 50 FFAA CNC(=O)c1ccc(C)c(NC(=O)N(C)[C@@H](COC)c2ccccn2)c1 96153307 PRRNOYNLMRXRHT-KRWDZBQOSA-N 356.426 2.601 0 50 FFAA O=C(CN1CCn2nc(Cc3ccccc3)cc2C1)NCCc1ccccc1 97729653 FQIYFBPVHJBMHZ-UHFFFAOYSA-N 374.488 2.648 0 50 FFAA Cc1cccc(SC2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 97551369 FSVDVLSCJPLLFG-AWEZNQCLSA-N 353.509 2.513 0 50 FFAA O=C(N[C@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C1)OCc1ccccc1 97137303 OLGSISOWPKLMNS-KRWDZBQOSA-N 368.389 2.526 0 50 FFAA CC(=O)N1CCCN(C(=O)Nc2cc(C)nn2-c2ccccc2C)CC1 96148573 BSNSHJHKGAFGBV-UHFFFAOYSA-N 355.442 2.575 0 50 FFAA Cc1nc(-c2nc(C3CCS(=O)(=O)CC3)n(-c3ccccc3)n2)cs1 96131640 ALALKDBVDCSBSJ-UHFFFAOYSA-N 374.491 2.991 0 50 FFAA COC(=O)c1ccc2nc(C(F)(F)F)c(I)n2c1 91294490 ODFUCWKCMZGKHW-UHFFFAOYSA-N 370.068 2.744 0 50 FFAA O=C(CCc1nc2ccccc2[nH]c1=O)NCc1c[nH]nc1-c1ccccc1 92028092 VJWOBDHNFHAZTH-UHFFFAOYSA-N 373.416 2.562 0 50 FFAA Cc1nc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)n(C)n2)cs1 95361135 FCTYJDQUYVYYLK-UHFFFAOYSA-N 354.483 2.666 0 50 FFAA Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95353536 ZCLJUJIWQGTHCF-INIZCTEOSA-N 354.406 2.710 0 50 FFAA Cc1nccn1CCCNC(=O)Nc1ccccc1OC[C@H]1CCCO1 96148191 HNACKHTWGSAVFV-MRXNPFEDSA-N 358.442 2.961 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CCOc3ccccc3C2)nc2c1CCC2 95508275 MEIPMCXBAYVLFD-INIZCTEOSA-N 351.450 2.574 0 50 FFAA CSCCCN1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 97522132 KEKJKXZQKHFLGU-LJQANCHMSA-N 363.571 2.731 0 50 FFAA O=C(C1CC1)N1CCC(N[C@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CC1 244748706 OMXMXSGJHROAAA-CRFBAAHOSA-N 364.436 2.767 0 50 FFAA C[C@H]1[C@H](C)CCCN1S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 245226379 UNIPWKATAROMKT-ZJUUUORDSA-N 358.847 2.594 0 50 FFAA CC(C)c1cc(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)nc2ncnn12 244718843 LRYFSTKUBQECMT-OZVIIMIRSA-N 371.466 2.551 0 50 FFAA O=c1c2ccccc2nc(O)n1C[C@H]1CC[C@H](C(=O)NC2CCCC2)CC1 245255845 LUQMYOZPIHIZMR-SHTZXODSSA-N 369.465 2.967 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H]2CCCC[C@H]12 184022748 SCWPZFQLIAEANU-NXHRZFHOSA-N 360.502 2.742 0 50 FFAA O=C(NOCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 184181970 RMOICKUCQZPNJO-GOSISDBHSA-N 370.424 2.855 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 299781521 HYFMJNMHMLNRHE-OXFYSEKESA-N 359.470 2.702 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCc1ccc2c(c1)CCCC2 299800660 XGNARHSHOJQERJ-UHFFFAOYSA-N 373.478 2.843 0 50 FFAA CNc1nc([C@H]2CCOC2)cc(N2CCC(c3ncncc3C)CC2)n1 299757567 HCYSVTKSWUWVDM-HNNXBMFYSA-N 354.458 2.505 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)c2cnn(C)c2)c1 299788297 YDOQQNRGUDHNGK-SNVBAGLBSA-N 365.821 2.541 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)CCc1scnc1C 823676235 YTDLLRQSNIEGJF-UHFFFAOYSA-N 360.483 2.831 0 50 FFAA COc1ccc(CN2C[C@H]3c4ccc(OC)cc4OC[C@@]3(C(=O)O)C2)cc1 1565526135 SHKDJSTUNHPRFW-RXVVDRJESA-N 369.417 2.767 0 50 FFAA COc1ccc(OC)c(CC(=O)N(C)Cc2cc(-c3ccncc3)no2)c1 952966665 IZHRVZGSUXSDKJ-UHFFFAOYSA-N 367.405 2.955 0 50 FFAA Cc1ccc(C2(C(=O)O)CCN(S(=O)(=O)CCC3CC3)CC2)cc1 280053879 SBWXSFJBFRTDCQ-UHFFFAOYSA-N 351.468 2.543 0 50 FFAA O=C(NC1CCN(c2ccc(C(F)(F)F)nn2)CC1)c1ccsc1 271180348 MDBQMTJRFNPKIE-UHFFFAOYSA-N 356.373 2.956 0 50 FFAA COC(=O)c1cc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)c(F)cc1F 170603903 ZZSBCSGNIGHWEN-SECBINFHSA-N 356.369 2.631 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1C[C@@]12CCCc1ccccc12 170644198 AYCIHESYUKHPHY-HNAYVOBHSA-N 354.479 2.812 0 50 FFAA O=C(Cn1nnc(-c2ccco2)n1)NCc1cc2c(s1)CCCCC2 170603106 VAGDIBMLHOOGSA-UHFFFAOYSA-N 357.439 2.580 0 50 FFAA CCc1nc(CN2CCC(CNC(=O)c3c(C)ccn3C)CC2)cs1 189783640 QXACZEKDWZFGFL-UHFFFAOYSA-N 360.527 2.994 0 50 FFAA CCOc1c(Cl)cccc1CC(=O)N1CCN(c2ccnc(C)n2)CC1 190232894 ZCKGDKQWADYUNH-UHFFFAOYSA-N 374.872 2.728 0 50 FFAA Cc1ccc(N2CCC[C@@H](NC(=O)c3csc(NC4CC4)n3)C2=O)cc1 769145748 GDWCBUSSSHAMLE-OAHLLOKOSA-N 370.478 2.951 0 50 FFAA COc1ccc(CN2CCNC(=O)C23CCCC3)cc1CN1CCCC1 1506419465 CIZHRJLCCKTHDI-UHFFFAOYSA-N 357.498 2.536 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529161189 BJBMCNZJWCTCLS-CTNGQTDRSA-N 365.477 2.748 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]2O)n[nH]1 1529119237 FISQAZLZNKMLDN-RDTXWAMCSA-N 373.884 2.855 0 50 FFAA O=C(NC1CCCCC1)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14751593 USGXZBDDWJOZPX-ZWKOTPCHSA-N 369.509 2.788 0 50 FFAA N=c1[nH]c2c(s1)CN(C(=O)c1cc3cc(Cl)c(F)cn3c1)CC2 1857530725 HZDDMPPIZRYHHY-UHFFFAOYSA-N 350.806 2.799 0 50 FFAA NC(=O)c1cc(N2CCC(CCN3CCCC3=O)CC2)nc2ccccc12 1857671389 RFLKEBHPVCZDPX-UHFFFAOYSA-N 366.465 2.563 0 50 FFAA O=C(O)[C@H]1CN(C(=O)C2CCC2)CC12CCN(CC1CCCCC1)CC2 1857691731 BKERZFSRJCKRRZ-GOSISDBHSA-N 362.514 2.992 0 50 FFAA Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccn[nH]2)CC1)C(C)C 125495648 HCRGCAIKEZWEHT-LJQANCHMSA-N 368.481 2.879 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 333381367 BLZDLMLBJBHTEG-IAGOWNOFSA-N 372.918 2.957 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 237128647 IHHWJDHUHXPSAB-NWDGAFQWSA-N 359.253 2.572 0 50 FFAA Cc1nc([C@@H]2CCN(C(=O)Nc3ccc(Br)c(C)n3)C2)n[nH]1 333859510 ZAWHDEPEPTVWDZ-SNVBAGLBSA-N 365.235 2.600 0 50 FFAA O=C(O)CCN(C(=O)c1cccc(Br)c1)C1CCOCC1 238075119 RFTPXHUBRFVJMZ-UHFFFAOYSA-N 356.216 2.545 0 50 FFAA CCn1cc(CN2C[C@@H]3OC(=O)N(CCc4ccc(F)cc4)[C@@H]3C2)c(C)n1 248022971 MMJSJXDIVJMUDQ-MOPGFXCFSA-N 372.444 2.598 0 50 FFAA CC(C)(C)c1ccc(OC[C@@H](O)CN2CCOC3(CCOCC3)C2)cc1 135641833 HEHNKDNDSZTCAC-SFHVURJKSA-N 363.498 2.605 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 363360422 HUTRPXPFBAZWOD-GHMZBOCLSA-N 359.253 2.595 0 50 FFAA O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCCC[C@@H](CO)C1 378300130 VMBSAYBLZFJATE-CYBMUJFWSA-N 350.846 2.701 0 50 FFAA CCS(=O)(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704316610 XJNDQUSCGORSKC-IBGZPJMESA-N 357.479 2.773 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)C[C@@H](C)c2cnn(C)c2)c1C 842282249 TUXZSDNCGQUJSR-CYBMUJFWSA-N 363.483 2.652 0 50 FFAA CCc1ccccc1C(=O)NC[C@H]1C[C@H](c2nc(C3CC3)no2)C[C@H]1O 952848628 KKJLJGSTUSXOFQ-ZMSDIMECSA-N 355.438 2.794 0 50 FFAA c1cc(-c2nc(=NCCn3cnc4c3CCCC4)c3c([nH]2)CCC3)ccn1 1875362813 UMFCQVSDDCWOMQ-UHFFFAOYSA-N 360.465 2.637 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)C(C)(C)C 1875386511 SCVJKCHDRAGFJR-KRWDZBQOSA-N 354.454 2.534 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)C1(Cc2cccc(F)c2)CCC1 1875402061 AHVVUAGAJXCVSU-QXAKKESOSA-N 371.456 2.691 0 50 FFAA Cc1ccc([C@@]23C[C@@H]2CN(C(=O)C24CC(CN)(C2)OC42CCC2)C3)cc1 1875405602 KMFMYRYKSOKQLS-PPXMBRMGSA-N 352.478 2.526 0 50 FFAA CN1C(=O)CC[C@H](CNCc2cc3ccccc3o2)[C@H]1c1cnn(C)c1 886079992 ORVGMNUQTUGPNL-QRWLVFNGSA-N 352.438 2.866 0 50 FFAA CC(=O)N1CCN(c2ccc(-n3ccnc3-c3cnsc3)cc2)CC1 2100388796 SAVJHBPVLOJSIM-UHFFFAOYSA-N 353.451 2.664 0 50 FFAA O=C(c1cccc2c1COC2)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 2100478175 XOBIJPUGOWIUDZ-OALUTQOASA-N 373.836 2.945 0 50 FFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1OC 783779 QRFHVTBWXVQQSH-GOSISDBHSA-N 361.781 2.770 0 50 FFAA O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@H]2c3[nH]cnc3CC[C@H]21 2325781303 BQGDYLYOBLIGJB-DOTOQJQBSA-N 358.486 2.517 0 50 FFAA O=C(Cc1cnn(-c2ccccc2)n1)Nc1ccccc1C1CCNCC1 2325792232 NFUQTMIYQPFCST-UHFFFAOYSA-N 361.449 2.916 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3ccsc3)C2)n[nH]1 2325842784 ILHJLFDIFPIVFE-CQSZACIVSA-N 360.483 2.558 0 50 FFAA NCc1ccccc1CN=c1ccnc(-c2cncc(Br)c2)[nH]1 2325857234 UQHKNKDFADFGTM-UHFFFAOYSA-N 370.254 2.794 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCOC3(CCSCC3)CC2)c1 2325888030 PNTGOHFUQANHHJ-UHFFFAOYSA-N 360.479 2.939 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCOC[C@H]2c2cccc(Cl)c2)C1 2325888496 YECAKPLHOMVDBK-RDJZCZTQSA-N 362.857 2.665 0 50 FFAA Cc1cccc2c1OC[C@H](NC(=O)NC1CCN(c3ccccn3)CC1)C2 460126229 VFWBDKALHYKKQY-GOSISDBHSA-N 366.465 2.662 0 50 FFAA Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 902457 YNWIXEAMDMTRNS-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CC[C@]1(C)Cc2c(sc3nnn(CC(=O)c4ccccc4)c(=O)c23)CO1 1123109 SKCQWGXAKUTISV-LJQANCHMSA-N 369.446 2.977 0 50 FFAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1C1=NCCS1 1134597 COBWRALAEORIHR-FOIPXRHGSA-N 360.438 2.981 0 50 FFAA CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F 2900754 UKHLAJXQJIUJMY-HNNXBMFYSA-N 363.332 2.981 0 50 FFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(C)c2OC)C1=O 4694608 BVXQUJXZNAHTQT-MDWZMJQESA-N 365.407 2.612 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100798591 RWTKUHLOASKEEP-ZZCKCESHSA-N 374.868 2.820 0 50 FFAA O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CC(c2ccccc2F)C1 463009317 KIETWDSOPXARIZ-ZDUSSCGKSA-N 356.372 2.944 0 50 FFAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)[C@@H]1CNC(=O)C1 55227868 HEFYFSDZDGYZQK-SFHVURJKSA-N 352.434 2.669 0 50 FFAA O=c1c(CN2CCN(c3ccc(Cl)nn3)CC2)coc2ccccc12 65397633 LECUOHWLUCTGRR-UHFFFAOYSA-N 356.813 2.559 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)C2CCCCC2)CN1Cc1ccc(OC)cc1 64074751 PZXDCKYIXJCIRS-MJGOQNOKSA-N 374.481 2.508 0 50 FFAA O=C1NCCN(C(=O)c2ccc(-c3ccn[nH]3)cc2)[C@@H]1c1cccc(F)c1 65462482 HWSVQAZWRHWJEF-GOSISDBHSA-N 364.380 2.529 0 50 FFAA CC(C)(NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1nccs1 118847477 VIVDKBJYESECNW-HNNXBMFYSA-N 363.458 2.707 0 50 FFAA Cn1ncc2c(N[C@H]3CCN(c4ccccc4Br)C3)ncnc21 171944785 DBKXQQSZQZXXCK-NSHDSACASA-N 373.258 2.817 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O)c1ccc2c(c1)OCCO2 408461829 BIAWUGOLYPUACO-BRWVUGGUSA-N 359.466 2.887 0 50 FFAA COc1c(CNC(=O)c2cnc3c(C)cccn3c2=O)oc2ccccc12 475867755 YBPZLOXPVLCLSU-UHFFFAOYSA-N 363.373 2.688 0 50 FFAA Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCN(c2ccccn2)CC1 2674805 VQZVENRPTYAKPA-KRWDZBQOSA-N 361.873 2.605 0 50 FFAA Cc1nn(CCCNC(=O)c2ccc3c(c2)OCO3)cc1Br 2800075 PZRKENNBWGHJRJ-UHFFFAOYSA-N 366.215 2.503 0 50 FFAA O=C(CSc1ccccc1)N1CCN(Cc2cccc(F)c2)C(=O)C1 77541854 ZOTXEZKTDSJILL-UHFFFAOYSA-N 358.438 2.789 0 50 FFAA O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72463020 TWBTZUYXKSUXIV-PKOBYXMFSA-N 351.450 2.711 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](CO)Cc3ccco3)cc2)n1 77469866 JKTKATDOBIBVBB-MRXNPFEDSA-N 353.422 2.663 0 50 FFAA N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccccc2Cl)c1)C(=O)O 31415656 VBRJFXSFCYEZMQ-HNNXBMFYSA-N 369.741 2.639 0 50 FFAA in-vitro CN1CCC(n2ccc(NC(=O)c3ncsc3-c3ccccc3)n2)CC1 365850057 QZWCAYPPTPGEDT-UHFFFAOYSA-N 367.478 3.526 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2ccccc2C(F)(F)F)CC1 328605650 OKYUXLHREVDYGM-HNNXBMFYSA-N 372.387 2.993 0 50 FFAA COc1ccc2cc([C@@H]3CN(c4nc(C(N)=O)cs4)CCO3)ccc2c1 71730476 IJPCVZYVUZTDBZ-KRWDZBQOSA-N 369.446 2.982 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cc(-n3cccn3)ccn1)C[C@H](C)O2 172719499 OZTKDWCELPZUPI-ZDUSSCGKSA-N 350.378 2.704 0 50 FFAA CCCCc1nn(CC(=O)N2CCCCCC2)c(=O)n1Cc1ccccc1 77321066 AKRHMXIKUXOVSK-UHFFFAOYSA-N 370.497 2.838 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2csc(CN(C)C)n2)[C@H](C)C1 72433062 XSZYOHLXCJAVNL-CQSZACIVSA-N 374.510 2.564 0 50 FFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2cccc(C)c2C)c1 71754604 AXZQVHRPTPGHSV-UHFFFAOYSA-N 363.435 2.593 0 50 FFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(F)c(F)c1 38783823 DHJDSRGTCBARDV-UHFFFAOYSA-N 367.237 2.725 0 50 FFAA CN(CCc1ncon1)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 215681056 PGLUPXCTCTXQSJ-UHFFFAOYSA-N 374.400 2.873 0 50 FFAA O=C(O)CC1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1 262486104 VKQPONJRJURGCK-UHFFFAOYSA-N 358.463 2.990 0 50 FFAA O=C(O)c1ccc([C@@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)cc1 72162629 PSTUYBZIRBFLQB-QGZVFWFLSA-N 362.389 2.595 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@@H](O)c1ccccc1Cl 219899711 SQLCMRBFVPYLPW-ZDUSSCGKSA-N 361.751 2.714 0 50 FFAA CCN(C)C(=O)c1ccc(N2CCCN(c3ccncc3C)CC2)nc1 77320359 YKTSSKCAXCUOPK-UHFFFAOYSA-N 353.470 2.594 0 50 FFAA O=C(C[C@H]1CCCN1C(=O)[C@H]1CCn2ccnc2C1)c1ccc(F)cc1 333211166 UAUFJHWVYLBBKY-DOTOQJQBSA-N 355.413 2.849 0 50 FFAA C[C@H](N)[C@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 237430742 GTMCHRDQGSWUQC-ZFWWWQNUSA-N 350.894 2.537 0 50 FFAA COc1ccccc1[C@H]1CN(CCc2cn[nH]c2)[C@@H]2C3CCN(CC3)[C@H]12 72167154 OXEQPHZUWJOAAF-HMXCVIKNSA-N 352.482 2.523 0 50 FFAA O=C(O)[C@H]1CCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 238090546 SYSZHUPCUHPKLY-HXUWFJFHSA-N 366.461 2.807 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)Nc3cc(C)ccc3C)cc2C1 82092526 VJRDLSFKEMWJDK-UHFFFAOYSA-N 355.442 2.574 0 50 FFAA COCc1ccc([C@H]2CCCN2CCNS(=O)(=O)c2ccccc2)o1 131194104 HXJIBKHCWIETLF-QGZVFWFLSA-N 364.467 2.541 0 50 FFAA CCN1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(OC)cc2)C1=O 136388547 HSUUERRBFBTAAB-OKZBNKHCSA-N 352.390 2.562 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cn[nH]c3)n1)CCN(C(=O)C1CCC1)C2 82039632 JGVQHPKUJLWEGZ-UHFFFAOYSA-N 364.409 2.515 0 50 FFAA C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 426652009 PLUGUSUTHGJYQV-GFCCVEGCSA-N 360.360 2.916 0 50 FFAA C[C@@H](C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)n1cncn1 178046687 GFNSMSNXJIDQQE-JQWIXIFHSA-N 355.225 2.826 0 50 FFAA CC(C)[C@H]1CCO[C@H]1C(=O)NCc1ccc(OCCN2CCCC2)cc1 497736986 XBUIARMWTWQASQ-WOJBJXKFSA-N 360.498 2.839 0 50 FFAA O=C(NCCc1ccc(Cl)cc1Cl)[C@@H]1CCCCn2nnnc21 97492543 AMPQQFIMSORJCW-GFCCVEGCSA-N 354.241 2.606 0 50 FFAA CC[C@H](NC(=O)c1ccc(OCCCN)c(Cl)c1)c1ncc(C)[nH]1 426485513 AZZBEVOVIAXDAR-AWEZNQCLSA-N 350.850 2.980 0 50 FFAA Cc1ccsc1C(=O)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 95506952 BWOXPXCLOCNSGF-OAHLLOKOSA-N 362.495 2.880 0 50 FFAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2)C1 91644753 VXWHIUPETHZMDK-KRWDZBQOSA-N 356.466 2.595 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)N(CCOc1ccccc1)C[C@H]1CCCO1 426433957 DJULPMCILHKWMX-ZHALLVOQSA-N 362.470 2.560 0 50 FFAA COc1ccc2c(C)c(C(=O)N[C@@H](Cc3ccncc3)C(=O)O)oc2c1 95521488 PYXBDWFMRRMCIT-HNNXBMFYSA-N 354.362 2.571 0 50 FFAA COCC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC1 97759434 SMQQQSOOFOHGOG-LBPRGKRZSA-N 372.387 2.768 0 50 FFAA COc1ccc(CN2CCC2)cc1OC[C@@H](O)CN1CCCCCCC1 95517955 WVXXAXXFUBQNQM-IBGZPJMESA-N 362.514 2.907 0 50 FFAA Cc1oncc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91624821 NATRBMCVGDUDKF-MAUKXSAKSA-N 351.450 2.687 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@H]2CCCNC2)cc1 95381313 GGOMHFZIGLODCZ-FQEVSTJZSA-N 371.525 2.528 0 50 FFAA O=C1CC2(CCN(c3cnccn3)CC2)CN1Cc1cc(F)cc(F)c1 91726228 JIWFWBPIZPJVQC-UHFFFAOYSA-N 358.392 2.774 0 50 FFAA CCCc1cnc(C)nc1N1CCC[C@@H](c2nccn2CCN(C)C)C1 95502225 RUUXNOLWTWPGIR-GOSISDBHSA-N 356.518 2.880 0 50 FFAA O=C(c1cncc(F)c1)N1CCC(c2nccn2Cc2ccccn2)CC1 95500454 WVUCFAWAJQPALH-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(c2cc([C@H]3C[C@@H](N)C3)ncn2)CC1 240228104 KGDDTENECBGBSA-FZNQNYSPSA-N 357.889 2.970 0 50 FFAA O=C(NCc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2ccccc2)C1 181652155 XTDKPSLWRWSLEM-HNNXBMFYSA-N 357.841 2.904 0 50 FFAA COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccccc1C 245229838 GYKGGYRCKBGYPY-KDOFPFPSSA-N 357.454 2.650 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)c1scnc1C)[C@H]1C[C@H](O)C1 244748819 OOWAODNSJBGIJP-WBIUFABUSA-N 350.415 2.841 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccs1 299741654 ABRONSZMLVSRIH-LLVKDONJSA-N 362.432 2.738 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 299747992 FSLHKMSHTJQJMU-FDLBOYPASA-N 365.227 2.698 0 50 FFAA O=C([C@H]1CC(=O)N(c2nccs2)C1)N1CC=C(c2ccccc2)CC1 80844737 QBLCAPFQDGSDEO-INIZCTEOSA-N 353.447 2.812 0 50 FFAA S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102248578 DSTYRSYHTVOIEM-BHYGNILZSA-N 373.522 2.596 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3ccc(O)nc3C(C)C)CC2)cs1 1940196918 DXOAJJRBGRHVMQ-UHFFFAOYSA-N 360.483 2.634 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(O)cc3)CC2)cc1 825168439 KAMRAWCNFQIPDT-UHFFFAOYSA-N 366.461 2.912 0 50 FFAA Cc1ncc(C(=O)Nc2cccc(-n3nnnc3C)c2)c(-c2ccccc2)n1 825276873 ZGPGHZQGJBUSIU-UHFFFAOYSA-N 371.404 2.988 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(CC(C)C)nc(N)n1 952979403 SWBBGJANOMLRRN-UHFFFAOYSA-N 364.453 2.681 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2snnc2C)cc1 1565506316 WJKQUQAYSTUBSP-CVEARBPZSA-N 372.494 2.592 0 50 FFAA O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@H](N2CCCC2=O)C1 277092687 ZBKIKXXWEKJKRC-HNNXBMFYSA-N 358.442 2.632 0 50 FFAA COc1ccc(CN2C(=O)N[C@H](CCOC(C)C)C2=O)c(OC(F)F)c1 170614010 LSCVTOOSPKOAJC-CYBMUJFWSA-N 372.368 2.532 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cs1 187035819 PSFWBQRYKGVSCN-CZUORRHYSA-N 359.451 2.757 0 50 FFAA CNC(=O)CC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 190051970 KBYXDXYIJJPZQH-UHFFFAOYSA-N 366.874 2.780 0 50 FFAA C[C@@H](c1nnnn1C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 192125927 BKAPPHCGRPHMMV-LBPRGKRZSA-N 366.391 2.910 0 50 FFAA O=C(Cc1cccnc1)NCC1CCN(c2nccc3cccnc23)CC1 1506404364 CSJQPLBOCJUKLY-UHFFFAOYSA-N 361.449 2.600 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 212966270 AUOGBPROCVZYML-DOMZBBRYSA-N 374.378 2.914 0 50 FFAA O=C(NC[C@H]1CCCO1)/C(=C\c1cccs1)NC(=O)c1ccccc1 833107 BIIVRBIHLVLFGW-YHZJOHHESA-N 356.447 2.814 0 50 FFAA CC(C)n1cncc1CN1CCCN(C(=O)c2ccc(Cl)cn2)CC1 1775980587 DHHZVGVWCKEQBL-UHFFFAOYSA-N 361.877 2.861 0 50 FFAA COc1cc(CN2C[C@@H]3CN(Cc4ccc(C)o4)C[C@@]3(CO)C2)ccc1F 1772707952 ZIAYOFTVBUPCDH-DYESRHJHSA-N 374.456 2.662 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)coc2c1 1772713005 YOCGBMWDMOLQNG-QRWLVFNGSA-N 357.406 2.542 0 50 FFAA c1cnc(N2CCC([C@H]3CCN(C4CSCCSC4)C3)CC2)nc1 11774003 AGRXMPQGBUNOLC-INIZCTEOSA-N 364.584 2.864 0 50 FFAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)CN1CCCCC1)C2 11791381 BXNGNNHMOFGPNL-GOSISDBHSA-N 365.477 2.963 0 50 FFAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc[n+]([O-])c2)c1C 11843085 LWUUNFCHIPESIR-SFHVURJKSA-N 362.433 2.930 0 50 FFAA CC1CCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 12199343 MYSMFTLVGFCDFT-LJQANCHMSA-N 352.425 2.550 0 50 FFAA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(Cc2ccco2)CC1 12380432 ICHAKUQUHZDVFA-MRXNPFEDSA-N 354.450 2.880 0 50 FFAA CC(C)NC(=O)C1CCN(C2CCN([C@@H](C)Cc3cccnc3)CC2)CC1 12431869 OANWVUPRCDFWDH-SFHVURJKSA-N 372.557 2.714 0 50 FFAA Cn1nc(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)ccc1=O 12471373 FEVUBIRROFZAGC-CQSZACIVSA-N 361.392 2.544 0 50 FFAA COc1cc2c(cc1CNCc1cccnc1N1CCC[C@H](O)C1)CCC2 12479191 RXYFULLUKKGABO-FQEVSTJZSA-N 367.493 2.830 0 50 FFAA COC(=O)C12C3[C@@H]4[C@H]1C1CC5(SCCS5)C4(Br)[C@H]3[C@@H]12 169615710 QXEYKUYDOGJKCT-NTXYDHEZSA-N 359.310 2.611 0 50 FFAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccccc1C(=O)OC)CCCC2 169752930 JSUICAPJBBZNCR-UHFFFAOYSA-N 370.405 2.622 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)C[C@@H]3CC3(F)F)CC1)OCC2 1857699113 ONNOQUSKSQDXAC-LLVKDONJSA-N 371.405 2.882 0 50 FFAA Cc1ccc(C)c(CNC(=O)[C@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)c1 1857710960 DIDXFGKXEOOHAI-HNNXBMFYSA-N 372.494 2.948 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCN2CC[C@H]1C2 1857708193 KMPGSZHVHINNPJ-HNNXBMFYSA-N 374.872 2.614 0 50 FFAA OC[C@H]1[C@H]2CN(c3nc(-c4ccccc4)nc4c3CCC4)C[C@]23CC[C@H]1O3 1857722000 BRGAVPAGYHCUEF-ODULNIPZSA-N 363.461 2.608 0 50 FFAA O=C(c1cncc(O)c1)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857733345 GKCGEKRXGBXSAZ-PKOBYXMFSA-N 368.433 2.675 0 50 FFAA COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1OC 917131 ZDIOESAEUWFBFC-UHFFFAOYSA-N 363.439 2.858 0 50 FFAA CCOc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 1058773 RQTOUFWQNMUXAE-AWEZNQCLSA-N 372.402 2.603 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc(O)n1 121728145 XJJWKKRZDOFSEA-QGZVFWFLSA-N 367.449 2.832 0 50 FFAA Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc2c(c1)OCCCO2 126870485 QFSDRILFUKOCKE-UHFFFAOYSA-N 350.396 2.823 0 50 FFAA COc1ccc2nc(C(=O)N(C)CC(C)(C)CN3CCOCC3)ccc2c1 160272895 GHIVDYRSQQFZOX-UHFFFAOYSA-N 371.481 2.674 0 50 FFAA CCC[C@H](C)c1cc(NS(=O)(=O)c2cccc(C(=O)OC)c2)[nH]n1 162939606 HFPPSUMHAPXGBJ-NSHDSACASA-N 351.428 2.901 0 50 FFAA O=C(c1ccc(OC2CCOCC2)cc1)N1CCC(n2ccnc2)CC1 266059924 BYZLRVGPOYGEFH-UHFFFAOYSA-N 355.438 2.918 0 50 FFAA Cc1ccsc1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1 802870615 XUAJAKPGPFPWIN-UHFFFAOYSA-N 374.281 2.867 0 50 FFAA CN(C)CC[C@@H](NS(=O)(=O)c1cccc2ncccc12)c1cccnc1 921481388 IQTRVOJPJURKAV-QGZVFWFLSA-N 370.478 2.601 0 50 FFAA CO[C@@H](C)CS(=O)(=O)N(Cc1cccnc1)c1ccc(F)cc1F 864097003 YTOKKEJBPWWDAF-LBPRGKRZSA-N 356.394 2.731 0 50 FFAA Cn1cc([C@H]2N(C(=O)c3cccc4c3ccn4C)CC23CCOCC3)cn1 1875267118 ATCKMHPSRKWVDB-LJQANCHMSA-N 364.449 2.906 0 50 FFAA CS(=O)(=O)[C@@H]1CCCCN(C(=O)[C@H]2CC[C@@H](n3cccc3)CC2)C1 1875274384 ZOPFEHVSONUFEU-IXDOHACOSA-N 352.500 2.645 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 1875371935 QRCNUVIRTGIKEB-QGZVFWFLSA-N 354.454 2.877 0 50 FFAA CC1(C)OCC[C@@H]1n1nc(-c2nccs2)nc1[C@H]1CCc2c[nH]nc21 1875348780 CHSGIWFPWOYAQN-RYUDHWBXSA-N 356.455 2.943 0 50 FFAA c1ccc(-c2nc(NC[C@@H]3C[C@]4(CCNC4)CO3)c3ccsc3n2)nc1 1875404447 JCUNSVUGTOXUQN-DJJJIMSYSA-N 367.478 2.934 0 50 FFAA O=C(c1cccnc1O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2100539680 TXFKTDBLBFWSQH-OAQYLSRUSA-N 365.433 2.585 0 50 FFAA CC(C)(CCS(=O)(=O)N1CCC[C@]2(C)CCCC[C@@H]12)S(C)(=O)=O 2325782972 PYZITPPLOCVGEZ-ZBFHGGJFSA-N 365.561 2.574 0 50 FFAA O=C(Cc1nc2ncccn2n1)NC1(c2cccc(F)c2F)CCCC1 2325796816 RBBYLCNSHZOOLF-UHFFFAOYSA-N 357.364 2.531 0 50 FFAA Cc1nc2ccccc2c(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c1C 2325797175 WVISKWXOZIDXNZ-ATZDWAIDSA-N 364.449 2.618 0 50 FFAA Cn1cc([C@@H]2C[C@H]2NC(=O)CCc2ccc(F)cc2Br)cn1 2325798135 PXXGNUBEBYGIPM-DZGCQCFKSA-N 366.234 2.927 0 50 FFAA O=C(O)[C@@H]1C[C@H]1C1CN(C(=O)c2ccc(COCC(F)(F)F)cc2)C1 2325812735 CPVMERUDNLTCRO-UONOGXRCSA-N 357.328 2.558 0 50 FFAA CN(C)[C@H](CN=c1[nH]ccn2ncc(Br)c12)c1ccccc1 2325856389 NNTGQPRVEJJHAA-CQSZACIVSA-N 360.259 2.629 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 2325888310 FZLYJRRFXVSVMD-UHFFFAOYSA-N 356.401 2.683 0 50 FFAA C[C@H](c1ccc(-c2cnc3cncc(N4CCC(O)CC4)n23)cc1)N(C)C 2356138899 RWQVLDNELWSVSM-OAHLLOKOSA-N 365.481 2.980 0 50 FFAA COC(=O)Cc1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1 4163466 XPVPOLXEJCCJCU-UHFFFAOYSA-N 363.527 2.998 0 50 FFAA COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4856293 AQOBXYVKMKEJRJ-HNNXBMFYSA-N 374.462 2.735 0 50 FFAA COCCCCN1CCN(C(=O)CCn2c(C)cc3ccccc32)CC1 55197058 QDTPKVQCWQRPIO-UHFFFAOYSA-N 357.498 2.911 0 50 FFAA COc1cc(CNS(=O)(=O)Cc2ccccc2C)cc(OC)c1OC 10543877 SURNSVGVAJOFLM-UHFFFAOYSA-N 365.451 2.640 0 50 FFAA CCc1ccc(-c2cn3c(C(=O)NC[C@H](C)C(=O)NC)csc3n2)cc1 67783768 WRQKWKOZTBULGV-LBPRGKRZSA-N 370.478 2.737 0 50 FFAA COCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(C(C)=O)cc3)C2)C1 67756480 SJSQTXQCRUNPBT-OAQYLSRUSA-N 358.482 2.740 0 50 FFAA CN(Cc1nccn1C)C(=O)c1cc(COc2c(F)cccc2F)on1 67723684 UEQVVVIILHXYHJ-UHFFFAOYSA-N 362.336 2.538 0 50 FFAA CC(C)(C)c1cn(C[C@@H]2CCCN(C(=O)C(=O)c3ccccc3)C2)nn1 63885019 ZPKCOPARYXISCR-OAHLLOKOSA-N 354.454 2.697 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 137136926 KHSCQIPQHIABOJ-GFCCVEGCSA-N 357.410 2.518 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3nccn3C)C2)cc1OC 20778650 XYVIJZXPRPOOHL-SFHVURJKSA-N 372.513 2.576 0 50 FFAA COc1c(-c2noc(C[C@@H]3CCCS(=O)(=O)C3)n2)oc2ccccc12 349710860 FMJMYJUISVZGNR-NSHDSACASA-N 362.407 2.859 0 50 FFAA Cn1cc(CN2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cn1 115372360 IUAUFIJXBCRDIF-IBGZPJMESA-N 352.482 2.575 0 50 FFAA Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1N(C)S(C)(=O)=O 65363860 MIGDHBMYQNRVKU-AWEZNQCLSA-N 358.463 2.982 0 50 FFAA CN(Cc1ccccc1Cl)C[C@]1(O)CCCN(CC2CCC2)C1=O 12076398 ODGCQWMSZBQSPA-LJQANCHMSA-N 350.890 2.925 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67805832 WRNCMCQPQVIORX-UHFFFAOYSA-N 372.444 2.694 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)c2n[nH]c(N)c2-c2ccccc2)CC1 67805984 CLKIQBTTYMXUEL-UHFFFAOYSA-N 364.453 2.964 0 50 FFAA CO[C@@H]1CCC[C@@H](CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)C1 330133875 RMDRAQKXJXVWCO-KBAYOESNSA-N 371.543 2.930 0 50 FFAA O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc2c(c1)OCO2 2800542 BESOWOPBMCHGPK-UHFFFAOYSA-N 356.769 2.961 0 50 FFAA C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@H]1CCNC1 430111854 VEGZQHDQSHMYRC-ISTVAULSSA-N 355.301 2.958 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC[C@@H]2c2cnn(C)c2)n1 328624837 CQQWTPNZHYXAGN-LMMKCTJWSA-N 370.501 3.167 0 50 FFAA CNC(=O)c1ccn([C@@H]2CCCN(C[C@@H]3CCc4ccccc4C3)C2)n1 328653193 WUHFSHNHTQSQMI-VQIMIIECSA-N 352.482 2.685 0 50 FFAA CN(C)C[C@]1(O)CCCN(C(=O)CCCc2ccc(Cl)cc2)CC1 77286177 NOXHCKWZDJJMFX-IBGZPJMESA-N 352.906 2.968 0 50 FFAA Cc1nc[nH]c1CN1CCc2ncnc(NCc3ccsc3)c2CC1 72425045 NFBIFSRUWUDFSR-UHFFFAOYSA-N 354.483 2.783 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCc2[nH]cnc2[C@H]1c1ccncc1 219983518 GGXSQVUWSDDYOZ-QGZVFWFLSA-N 356.861 2.902 0 50 FFAA O=C1CN(S(=O)(=O)c2ccccc2OC(F)F)c2cccc(F)c2N1 365289555 KOVLUQAWPRFNTC-UHFFFAOYSA-N 372.324 2.575 0 50 FFAA CC(C)CCN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O 72421278 VXVRJHBXVTXGAE-UHFFFAOYSA-N 360.502 2.981 0 50 FFAA CCOc1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)cc1CO 72418356 KATAHUMCUOKXOL-UHFFFAOYSA-N 361.873 2.948 0 50 FFAA CSCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72146606 NFKKGVYHDGDDAA-CGTJXYLNSA-N 352.450 2.716 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@](C)(C(=O)O)C1 237768594 WDABVDQIAOMZIJ-QGZVFWFLSA-N 365.792 2.910 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(CCc1ccccc1)C2 14535091 DNSUIWSOAQRCLS-UHFFFAOYSA-N 352.482 2.740 0 50 FFAA COCC1(C(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)CCC1 77300435 PIENPUXBMVSXFQ-RBUKOAKNSA-N 370.493 2.632 0 50 FFAA COC(C)(C)C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71759535 DRXNEKIZPJSQND-KRWDZBQOSA-N 364.461 2.836 0 50 FFAA CCn1c(C)cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1C 285341893 TUGCWOVHYCECEV-QFBILLFUSA-N 357.502 2.671 0 50 FFAA Cc1cc(C(=O)NC[C@H](O)COc2ccccc2)c2ccc(F)cc2n1 41331075 ORTMQLSGVYMDRD-HNNXBMFYSA-N 354.381 2.852 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[nH]1 82134585 TWJDMDNCDSKHQH-GFCCVEGCSA-N 369.450 2.550 0 50 FFAA O=C(N[C@H]1CCCNC1=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 426689187 KFUGWEJTJKORFW-AWEZNQCLSA-N 363.339 2.776 0 50 FFAA Cc1cc(Cl)ccc1-c1cccc(C(=O)N2C[C@@H](CO)[C@H](CO)C2)c1 426414852 YJQGLKMUXDDJNX-IRXDYDNUSA-N 359.853 2.988 0 50 FFAA Cc1ccn2c(C(=O)NCC[C@H](c3ccccc3)c3ccco3)nnc2n1 426740645 WFHVRYMQZICXMW-MRXNPFEDSA-N 361.405 2.978 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)N[C@H](C)c3c(C)n[nH]c3C)CC2=O)c1 426589770 LYWOXOYSBZMMSS-CQSZACIVSA-N 369.469 2.763 0 50 FFAA O=C(Nc1ccccc1N1CCOC1=O)N1CCC[C@@H](c2cc[nH]n2)C1 95528478 RUNLRSCIOIIDJP-CYBMUJFWSA-N 355.398 2.778 0 50 FFAA Nc1nc(CCC(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cs1 97463631 NQXFHWZETKSIFD-CQSZACIVSA-N 362.474 2.578 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)no1 91586414 OWJDYRSMNHKIMF-MRXNPFEDSA-N 351.410 2.643 0 50 FFAA CSc1ncccc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91770395 OVGWXDDIABVIKC-LSDHHAIUSA-N 360.410 2.883 0 50 FFAA CCCn1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(C)n1 91651176 LZGHEUAODSCNSS-UHFFFAOYSA-N 354.454 2.768 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)c(O)n1 91934201 KKYCPUBXIIDAQW-GOSISDBHSA-N 354.454 2.920 0 50 FFAA CCN(C)C[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CO 91350712 FXIPZZPQIUNUTB-IAGOWNOFSA-N 362.905 2.518 0 50 FFAA CN(Cc1ccc2nsnc2c1)[C@H](C(=O)O)c1ccc2c(c1)OCCO2 95384280 BUTAHAKAFOCHQN-KRWDZBQOSA-N 371.418 2.720 0 50 FFAA Cc1cccc(OCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 95384159 OAQTYSGGFNCELN-VQTJNVASSA-N 365.477 2.892 0 50 FFAA CCc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cs1 91808614 PIFRWFGTAAAZOA-LSDHHAIUSA-N 373.430 2.980 0 50 FFAA O=C(N[C@H]1CCSC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 95527670 IEMMJQBPTXRVET-INIZCTEOSA-N 374.506 2.702 0 50 FFAA CCN(CC1CCOCC1)C(=O)Nc1cc(-n2cnnn2)cc(C)c1C 96180583 BMHWDNZNECBRRX-UHFFFAOYSA-N 358.446 2.560 0 50 FFAA COc1ccc(CCN(C)C(=O)Nc2cccc3nn(C)nc23)cc1OC 97813816 FTELNJYAOOSANQ-UHFFFAOYSA-N 369.425 2.692 0 50 FFAA O=C(NCCN1CCCOC1=O)Nc1ccc(OCc2ccco2)cc1 96179825 QZHHPPPEXBOJHV-UHFFFAOYSA-N 359.382 2.822 0 50 FFAA O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@]2(CCCNC2=O)C1 91575310 QEKSJEYRDSQDBP-MRXNPFEDSA-N 357.237 2.501 0 50 FFAA CCN(C)C(=O)c1ccc(N2CC[C@H](Cc3ccc(CO)cc3)C2)nc1 91973733 BJBGAIAYLMGLQJ-GOSISDBHSA-N 353.466 2.735 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)Nc1cccc(-c2cnco2)c1 299769662 SWOVPKLBSGBEPO-AWEZNQCLSA-N 369.381 2.940 0 50 FFAA c1ccc([C@@H]2C[C@H](c3noc(CN4CCOCC4)n3)[C@H]3CCCN23)cc1 299777507 NAPJHMFULNCEOM-KSZLIROESA-N 354.454 2.595 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)NCC2(COC)CCCC2)c1 299758330 OIIMPZBAIIFUOT-UHFFFAOYSA-N 363.458 2.908 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)NCCc2noc([C@H]3CCCO3)n2)cc1 299801652 ZRGWZHHLLUJWLG-OAHLLOKOSA-N 359.426 2.746 0 50 FFAA O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C1CCN(CCO)CC1 584900126 NYVMAXZEBMSMON-UHFFFAOYSA-N 373.453 2.893 0 50 FFAA O=C(NCCSc1ccccn1)N(Cc1ccccn1)C[C@@H]1CCCO1 584899212 NRRNEAPOFFQOOY-KRWDZBQOSA-N 372.494 2.960 0 50 FFAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cnc(C2CC2)nc1 670451336 TWUMHAWPNPMTEK-GOSISDBHSA-N 350.466 2.963 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)NC[C@@H](CO)Cc1ccco1 670446522 JNNBMMWBUFUVFD-ZDUSSCGKSA-N 366.845 2.934 0 50 FFAA COc1cc(C(=O)N[C@H]2COCC[C@@H]2OC)c(Cl)cc1OC(C)C 1565512946 CIYHAMISIGFFKY-KBPBESRZSA-N 357.834 2.670 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1ncc(C)c(OC)c1C 952968321 GCMLFAQTZAHWAF-LJQANCHMSA-N 353.466 2.770 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CCO1 268942490 FNINPSQRHZXSBJ-BLGFXRMMSA-N 359.422 2.723 0 50 FFAA Cc1nc(CCNC(=O)c2ccc(CN3CCCC3)o2)nc2c1CCCC2 952861087 CLXUSKOJMCOUFF-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA COCC[C@@H](NCC(=O)NC(=O)Nc1ccc(C)cc1C)c1ccco1 273224285 DSIHWMVORDXSII-MRXNPFEDSA-N 359.426 2.912 0 50 FFAA Cc1cc(S(=O)(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(C)s1 275340785 RSAQLBUJEXEVFW-GFCCVEGCSA-N 371.484 2.634 0 50 FFAA CN(Cc1nnc(C2CC2)n1C)C(=O)N[C@@H]1CCCOc2ccccc21 170646729 VADVXMPAHCMXJK-OAHLLOKOSA-N 355.442 2.748 0 50 FFAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 280335886 PLZOFSDHXLEUKZ-JENIJYKNSA-N 370.472 2.569 0 50 FFAA Cc1cc(F)cc2c1CN(S(=O)(=O)c1ccc3[nH]c(=O)ccc3c1)CC2 409930553 NVOURNOWOJKTDC-UHFFFAOYSA-N 372.421 2.723 0 50 FFAA CCOC1CC(CCNC(=O)[C@H]2CCCN2c2ncnc3sccc23)C1 189426076 ZNNLREFTKHWXKJ-ZBCRRDGASA-N 374.510 2.982 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccncc2)Cc2cnc(-c3ccccc3)nc2)N1 1506431401 MYXSOQVXAURWBY-FQEVSTJZSA-N 373.460 2.819 0 50 FFAA CN1CCC(C)(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)CC1 1615736674 NFXHPKGEBMMODR-PXNSSMCTSA-N 367.493 2.640 0 50 FFAA Cc1nn2c(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)csc2nc1=O 1506397782 XUCWAWLWLFFPGJ-MRVPVSSYSA-N 360.464 2.898 0 50 FFAA Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)n([C@H](C)C2CC2)n1 1529185050 ILQJBXGDHYBSDY-CYBMUJFWSA-N 351.410 2.511 0 50 FFAA CCN(Cc1nc(N)nc(Nc2cccc(C)c2)n1)C[C@H]1CCCCO1 1529190325 HEUZFJONMYUAJX-MRXNPFEDSA-N 356.474 2.897 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1c1ccc(C)o1 216401861 MSBGYLNEGBTLQU-HOCLYGCPSA-N 369.446 2.942 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)c2)n1 1704352572 WUXKRLRWSWNVAH-WIYYLYMNSA-N 365.481 2.556 0 50 FFAA CC[C@H](Nc1nc(C)c(C)cc1C(N)=O)c1ccc(S(C)(=O)=O)cc1 1704343627 LTVTWUPYFPNUDK-INIZCTEOSA-N 361.467 2.764 0 50 FFAA O=C(c1ccc(-c2ccccc2F)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772709408 JHTGLMJDEBKUCL-DYESRHJHSA-N 355.409 2.964 0 50 FFAA Cn1cc(CCC(=O)NCc2cccnc2N2CCCCCCC2)cn1 12438781 VUUBUFMDSYEXSR-UHFFFAOYSA-N 355.486 2.835 0 50 FFAA O=C(N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1ccccc1 19800056 FDSUBHNXZLKPLY-DGCLKSJQSA-N 351.661 2.881 0 50 FFAA CCNC(=O)c1cc2n(n1)C[C@H](c1ccc(Br)cc1)OC2 169759707 USVAZTLHQKQKSN-CQSZACIVSA-N 350.216 2.667 0 50 FFAA Cc1ccc(O)cc1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857674860 AMLJWGMPFVZFGG-NRFANRHFSA-N 366.417 2.590 0 50 FFAA O=C(c1ccc2c(c1)CCC2)N(Cc1cncnc1)[C@@H]1CCCNCC1 328652246 WGIDDINGVVNPOK-HXUWFJFHSA-N 350.466 2.750 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(O[C@H]2CCOC2)cc1 329863103 RPKRYENDKLBJHP-DLBZAZTESA-N 370.453 2.834 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)NC2(c3cccc(C)c3)CCCC2)co1 129415462 DDJPETMGFPONCD-UHFFFAOYSA-N 362.451 2.695 0 50 FFAA O=C(CSc1ccncc1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccn1)C2 247740092 NEVIFIQQACUOSU-WMZOPIPTSA-N 368.506 2.692 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cc1F 248075248 ZNIOOISUNOPRKO-ZBFHGGJFSA-N 372.444 2.602 0 50 FFAA CN1CCC[C@H](CN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 265272072 GWBJKPQLSIKJCL-ZWKOTPCHSA-N 372.513 2.731 0 50 FFAA COc1ccccc1OCCN1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 499298592 FUWCLCCTVUMSQC-DYVFJYSZSA-N 359.426 2.796 0 50 FFAA Cc1nc(F)ccc1NC(=O)c1cccc(NS(=O)(=O)C(C)C)c1 1875307108 KRXGVAWKBSSOLC-UHFFFAOYSA-N 351.403 2.932 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cnc(Cc3ccccc3)s2)[C@@H](C)C1 1875371130 PRVJYGDXEBCIGF-AWEZNQCLSA-N 355.463 2.593 0 50 FFAA Cn1ncc2c1CCN[C@H]2C(=O)N(Cc1ccccc1Cl)CC1CC1 1875392763 SAIHSPCZXPHMJD-GOSISDBHSA-N 358.873 2.699 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CCO[C@H]1c1cnn(-c2ccccc2F)c1 1875306424 FREOPYQAVUFBJN-LPHOPBHVSA-N 366.396 2.800 0 50 FFAA C[C@@H]1CCCCN1c1cc(C(=O)NC[C@H]2CC3(CCOCC3)O2)ccn1 1875325690 SSKLKCNSQRFYGV-NVXWUHKLSA-N 359.470 2.528 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cccc(-c3ccncc3)n2)CC12CCCC2 1875304804 VQHYIQLNPVWLLF-OAHLLOKOSA-N 351.406 2.861 0 50 FFAA NC(=O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)[C@@H]2C1 1875323332 FHBPYCHCNPHQLO-BGOOENEXSA-N 367.371 2.608 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cccc3nsnc23)C12CCC2 1875404923 CGNTXEINGVZSSF-JMGFVUJMSA-N 356.495 2.864 0 50 FFAA COC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886048316 CQUFCIYDWRXKMU-IKGGRYGDSA-N 358.404 2.776 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)CS1(=O)=O 888101652 MIZHDWZYROCLND-BARDWOONSA-N 368.474 2.727 0 50 FFAA CC(C)S(=O)(=O)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 2325721427 SMGHXWDIXLQGNK-UHFFFAOYSA-N 360.479 2.905 0 50 FFAA CN(C)CC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760016 FNHPPMGXOPQAHX-UHFFFAOYSA-N 364.449 2.576 0 50 FFAA CC(C)(C)c1cncc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 2325777597 NMZSJQJIXMYWNA-UHFFFAOYSA-N 355.394 2.728 0 50 FFAA O=C(Cc1ccn(-c2ccccc2)n1)N1CCCN[C@@H](c2ccccc2)C1 2325783237 GWIAEIPMPSDZAM-OAQYLSRUSA-N 360.461 2.978 0 50 FFAA O=C1OCC[C@@H]1N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325802717 XHTSJCAJBFCKMK-KRWDZBQOSA-N 363.417 2.804 0 50 FFAA CCOC(=O)c1ccc(NC(=S)N2CCC(C(=O)OCC)CC2)cc1 986446 IQPUDANMVASLRU-UHFFFAOYSA-N 364.467 2.835 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(CCOc2ccc(F)cc2)CC[C@H]1O 2356159556 GTDKHULEXJBRNW-IEBWSBKVSA-N 353.434 2.778 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)cc1 2836566 ABGIXPVEDIUTHQ-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 2875956 ZQGIUJIWASJKEY-UHFFFAOYSA-N 352.843 2.590 0 50 FFAA CCN(CC)C(=O)C(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 4413067 XZQFVXZIZGARRO-UHFFFAOYSA-N 369.465 2.751 0 50 FFAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccco2)CC1 4472792 XHGVAMOKZSJHSM-UHFFFAOYSA-N 357.454 2.716 0 50 FFAA O=C(Nc1nccs1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 4870315 FKZIPODQEHXFRA-UHFFFAOYSA-N 369.443 2.709 0 50 FFAA COc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC 7185144 SVSCXRHSTDTESI-UHFFFAOYSA-N 370.449 2.983 0 50 FFAA Cc1cc(C)cc(OCCN(C)C(=O)CCn2nnc3ccccc32)c1 55154061 IPNXXPDSGSHQRV-UHFFFAOYSA-N 352.438 2.976 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 462201422 WXVYOZBCYQLYII-UHFFFAOYSA-N 362.788 2.977 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1CCOCC1 114425498 QNUOUVRDGULWAF-MRXNPFEDSA-N 356.388 2.823 0 50 FFAA CN(C)CCN(C)[C@H]1CCCN(C2CCN(c3ccccc3F)CC2)C1 23478384 WIYOCAKOTMEWPQ-IBGZPJMESA-N 362.537 2.752 0 50 FFAA COC1(C(F)(F)F)CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 419514992 QJBMYEXAEUNKEB-UHFFFAOYSA-N 356.348 2.816 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)[C@H]3C)c(C)o2)c(OC)c1C 67934817 LGSSTHXLVSNJFI-CYBMUJFWSA-N 373.453 2.638 0 50 FFAA Cc1cc(NC(=O)CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)on1 249728122 RLDYEIXFTYQKIB-CJNGLKHVSA-N 370.236 2.818 0 50 FFAA CCCn1ncc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1C 20452193 QQTQQWGMVUXTIO-QFIPXVFZSA-N 370.541 2.713 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@@H](C)n3cnc4ccccc43)CC2)nc1 67803196 WRHMQOIMQUTVIC-MRXNPFEDSA-N 364.449 2.811 0 50 FFAA NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)cc1 252506904 WCVCUQORXDUVMA-UHFFFAOYSA-N 363.414 2.672 0 50 FFAA COc1cc(OC)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1OC 67774321 AYDTWCWJLAHGFY-UHFFFAOYSA-N 371.437 2.956 0 50 FFAA O=C(O)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 5027165 BLNNAPTWPAAZLE-BXKDBHETSA-N 355.272 2.970 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4cccc5ccccc45)ccc3n2n1 72140683 OSFSDRBMTZHEIG-UHFFFAOYSA-N 360.402 2.699 0 50 FFAA Cc1nc([C@H]2CN(C(=O)Cc3c[nH]c4cc(Cl)ccc34)CCO2)no1 329390541 SHEQEMGTAGRLIE-OAHLLOKOSA-N 360.801 2.655 0 50 FFAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(F)ccc1F 433499422 CMVAJMZOJUGTQF-BZNIZROVSA-N 353.390 2.978 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3c(C)nc4ncccn34)C2)c1 77489992 UJMPQQCGKAAGAG-CQSZACIVSA-N 366.421 2.685 0 50 FFAA COCCCN1C[C@@]2(CCCN(C(=O)Cc3ccccc3C)C2)CCC1=O 77470157 FIXLYBYXIWQOEL-JOCHJYFZSA-N 372.509 2.805 0 50 FFAA CCCC1(C(=O)O)CCN(C(=O)c2ccc(SCCO)cc2)CC1 217660030 NZJBJIFTUOTLAZ-UHFFFAOYSA-N 351.468 2.878 0 50 FFAA CCCc1csc(NC(=O)C2CCN(c3nccc(OC)n3)CC2)n1 127444907 XKJWNIFHUJWIDI-UHFFFAOYSA-N 361.471 2.749 0 50 FFAA COc1ccc(C(C)(C)C(=O)NS(=O)(=O)c2sc(C)nc2C)cc1 155824250 JOFDFUIMSGGGRY-UHFFFAOYSA-N 368.480 2.551 0 50 FFAA COCCC(=O)N1CCC[C@@]2(CCN(Cc3ccc(Cl)nc3)C2)C1 71712021 DVGAFFSKPWOXIS-SFHVURJKSA-N 351.878 2.586 0 50 FFAA Cc1cccn2c(=O)cc(CN3CCCN(Cc4cccs4)CC3)nc12 30211310 KIZRNAYDQXXTDO-UHFFFAOYSA-N 368.506 2.772 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 238020744 UNCIWMATWHYULM-CVEARBPZSA-N 361.344 2.848 0 50 FFAA Cc1ncc2c(c1CNC(=O)Cc1ccc(C(F)(F)F)cc1)CCNC2 72474903 HGYICNNHYOUVPD-UHFFFAOYSA-N 363.383 2.913 0 50 FFAA COc1ccc([C@H]2OCC[C@@H]2NC2CCN(c3nc(C)cs3)CC2)cn1 375385508 YYVMBIHZFFTYKD-FUHWJXTLSA-N 374.510 2.944 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cn(C2CCCCC2)nn1 77383574 VERRTGGAKRYTAR-IBGZPJMESA-N 367.497 2.912 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)c3cnc(C)cc3C)CC2=O)c1 77422107 XOAZTPPLRDIWPJ-UHFFFAOYSA-N 351.450 2.800 0 50 FFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1C[C@]12CCc1ccccc12 175126202 OHOVBYLHLODICV-UEXGIBASSA-N 367.470 2.925 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)NCc1nc(-c2ccccc2)n[nH]1 426698186 GLISZORSSSIZQX-UHFFFAOYSA-N 366.425 2.680 0 50 FFAA CN(C)S(=O)(=O)c1cccc(CN2CCC[C@H](c3ccncc3)C2)c1 289307491 IWQQFECSKPKSKQ-SFHVURJKSA-N 359.495 2.712 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)ccc1O 82114957 MDNLHNHWNBVINF-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA CN(Cc1ccccc1CN1CCCC1)c1cc([C@H]2CCOC2)nc(N)n1 426647444 ZXMNPBROHIEDDY-SFHVURJKSA-N 367.497 2.795 0 50 FFAA Cc1cc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)c2ccc(F)cc2n1 220279536 QVLPHCFXROZHCG-LBPRGKRZSA-N 354.385 2.588 0 50 FFAA O=C(Cn1cnc2ccccc21)N(Cc1ccncc1)C[C@H]1CCCO1 223436570 AYDPFLBSKWBZBY-QGZVFWFLSA-N 350.422 2.639 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@@H](c3nccn3C)C1)cn2C 82108565 ALDYVUDPSGSMPX-OAHLLOKOSA-N 364.449 2.600 0 50 FFAA O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1nccs1 20457842 JDXIFDLJQRSWJD-UHFFFAOYSA-N 350.875 2.553 0 50 FFAA CCc1nnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)s1 91305533 OMFJXTGBPKFUQC-CQSZACIVSA-N 372.494 2.893 0 50 FFAA CNC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)o1 426545323 OBHLVLYTBQHAMD-UHFFFAOYSA-N 355.438 2.522 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95383554 FMPMKRVYAOAMOU-FCHUYYIVSA-N 364.489 2.844 0 50 FFAA CCOc1cc(F)cc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95372312 MIMCGLCLXABNHL-IBGZPJMESA-N 373.428 2.563 0 50 FFAA Cc1nc(CCCC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cs1 181151966 AVLUXHXPOOKXKU-UHFFFAOYSA-N 366.531 2.863 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1csc(CSC)n1)CO2 91706332 MGGNKAOTNLVJSO-LBPRGKRZSA-N 364.492 2.882 0 50 FFAA CSc1ccc(C(=O)N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)cc1 96159873 LUXJEHGHKWHEJI-YWZLYKJASA-N 374.506 2.810 0 50 FFAA Cc1nnc2n1[C@H](C)CN(C(=O)CSc1cn(C)c3ccccc13)C2 96149522 LAHZOTPSBPTNFR-GFCCVEGCSA-N 355.467 2.774 0 50 FFAA CCN1CC2(CCN(c3ccnc(N)n3)CC2)C[C@H](c2ccccc2)C1=O 91769627 OJMDHVIGYCBVCT-QGZVFWFLSA-N 365.481 2.681 0 50 FFAA CN1CCN(c2cc(-c3cc(F)cc(C(F)(F)F)c3)nc(N)n2)CC1 97732790 BLIIHUSLYNPJPH-UHFFFAOYSA-N 355.339 2.636 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2[nH]c3ccccc3c2Cl)C1 97480297 AXNLEWMYKNHRRT-GFCCVEGCSA-N 359.861 2.822 0 50 FFAA CC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc(C)c(C)s1 91691684 CXIFMKDDBHCNKT-OAHLLOKOSA-N 356.451 2.737 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239426034 VQDUNHPSQQLHTQ-BTHOMQSPSA-N 370.836 2.640 0 50 FFAA CNC(=O)[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)o1)c1ccccc1 244873468 WQXDWZFVFGVGMI-LJQANCHMSA-N 369.465 2.729 0 50 FFAA Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC(=O)N1CCOCC1 183360885 WXESXLGZUSYEEI-LBPRGKRZSA-N 363.458 2.767 0 50 FFAA CCS(=O)(=O)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1 298755374 YHOUZSGMHKROJX-UHFFFAOYSA-N 353.875 2.796 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)c1scc2c1OCCO2 299779543 HUSADFGFILHFTK-UHFFFAOYSA-N 359.447 2.998 0 50 FFAA Fc1cc(Cl)cnc1N1CCC2(CC1)CN(C[C@H]1CCOC1)CCO2 952982610 ZLYJRPJWEJHLEZ-CQSZACIVSA-N 369.868 2.582 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CNC(=O)c2ccccc2)cc1 952863656 VKPGVLPAGIOJAU-AWEZNQCLSA-N 351.406 2.570 0 50 FFAA CCc1cc(N2CCC[C@H](Nc3cncc(OCC(C)C)n3)C2)ncn1 301587127 WEBYORFQJOJAGH-INIZCTEOSA-N 356.474 2.945 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)N(C)CC(C)C)C3)[nH]c2c1 408172583 YIXHNDPTPITGLH-OAHLLOKOSA-N 364.515 2.883 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC[C@H]1c1ccncc1 171021002 ISOAXBDNLMKISM-SFHVURJKSA-N 373.478 2.795 0 50 FFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@H]3C)cs2)cc1OC 189266879 QOODUJQJEZYNRF-GFCCVEGCSA-N 361.467 2.538 0 50 FFAA CCN1CCCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1=O 191542047 HTVBXVQKSMPHTO-KRWDZBQOSA-N 366.889 2.952 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)c2cnc(N)nc2-c2ccccc2)no1 1506400311 DIBRNUYMWORRBD-UHFFFAOYSA-N 366.425 2.580 0 50 FFAA CCCOc1ccc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1CO 1704359622 VZJLWMXTRZYQKB-ZIFCJYIRSA-N 360.498 2.656 0 50 FFAA COc1ccc(Cc2nc(CCN3CCCCC3)n([C@H]3CCOC3)n2)cc1 1775979528 JNQWWAFOCMOWAX-SFHVURJKSA-N 370.497 2.867 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 11789574 DAOQCKGEUBFCLN-QGZVFWFLSA-N 352.438 2.553 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(C[C@@H]2CCCO2)nn1 11818436 KRHWBJMBUWYQMG-AWEZNQCLSA-N 368.359 2.748 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc1 12224368 GRSNYOZDURDHEN-NRFANRHFSA-N 367.493 2.913 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1 13648424 VWESWPSFPPGFPI-UHFFFAOYSA-N 360.479 2.816 0 50 FFAA CCN1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccccc2)CC3=O)CC1 16651622 KXDYRIWJTUUYGE-QGZVFWFLSA-N 350.466 2.840 0 50 FFAA c1ccc(CN2CCC(N3CCN(Cc4ccncc4)CC3)CC2)cc1 19364396 CUOIPOPLSVBPAD-UHFFFAOYSA-N 350.510 2.864 0 50 FFAA O=C(CC1=CCCC1)N1CCC[C@]2(C1)CN(c1nccs1)CC[C@H]2O 1857690965 WYAGJLZHJGOXRL-APWZRJJASA-N 361.511 2.823 0 50 FFAA COc1ccc(CN2CCc3[nH]nc(C4CC4)c3CC2)c(OC)c1OC 1857697559 DFHRBCNPIIKITA-UHFFFAOYSA-N 357.454 2.914 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1cc(C(N)=O)c2ccccc2n1 1857697845 OVBRYKNZORVKQG-AWEZNQCLSA-N 366.465 2.561 0 50 FFAA CCc1nnc(N2C[C@H](C(=O)NC3(CC(C)(C)C)CC3)CC2=O)s1 1857716003 RMBNDXQVUOIGEH-LLVKDONJSA-N 350.488 2.538 0 50 FFAA CCCC[C@@H](CN)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 236678681 WVOREBSZEWBELE-VIFPVBQESA-N 355.287 2.798 0 50 FFAA O=C1CC[C@@H]2CN(C/C=C/c3ccco3)CC[C@@H]2N1CCc1c[nH]cn1 247903601 LCAVMYLYOVFNFE-AGIVODPYSA-N 354.454 2.572 0 50 FFAA Cc1nc(C(=O)N2CCCC[C@H]2C(=O)O)nn1-c1ccccc1C(C)C 136488355 WAVHYECXLQTGPN-INIZCTEOSA-N 356.426 2.778 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2cnn(CC(F)(F)F)c2)N2CCCC2)o1 252528110 FCCGJVGEDBVWAT-CQSZACIVSA-N 370.375 2.914 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 369004065 XTJBXBKVIWFJDE-OAHLLOKOSA-N 360.776 2.964 0 50 FFAA Cc1sc2ncnc(N3CC[C@H](O)[C@@](CC4CC4)(C(=O)O)C3)c2c1C 1704344368 MEBDNCCNNCOILJ-UGSOOPFHSA-N 361.467 2.750 0 50 FFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2nnc(C3CC3)n2C)cc1 818024454 OEPOJHCCRYWALH-YLJYHZDGSA-N 356.470 2.573 0 50 FFAA CC(C)CC(=O)N1CCC[C@@H](NC(=O)c2cc3cc(Cl)ccn3n2)C1 1875297651 ZKZUPEDETGDPOH-CQSZACIVSA-N 362.861 2.755 0 50 FFAA N[C@H](Cc1ccsc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 1875291538 COCARIAYEBQLCH-QGZVFWFLSA-N 372.494 2.562 0 50 FFAA C=CC(=O)NC[C@@H]1CN(C(=O)CCOc2cc(C)ccc2C)CC[C@@H]1C 1875386142 JXSJJNAQBLURLL-FUHWJXTLSA-N 358.482 2.859 0 50 FFAA Cc1ccc([C@@]23C[C@H]2CN(C(=O)C24CC(CN)(C2)OC42CCC2)C3)cc1 1875405600 KMFMYRYKSOKQLS-AFVILVPDSA-N 352.478 2.526 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)nn1C(F)F 2100545142 HUZFBINHTMWEKY-UHFFFAOYSA-N 360.364 2.713 0 50 FFAA NCc1cccc2c1CCCN2C(=O)C[C@H](c1ccccc1)n1ccnn1 2325787595 JTBAZBHVTSWAKN-HXUWFJFHSA-N 361.449 2.696 0 50 FFAA CN1CC[C@H](C(=O)N[C@H]2Cc3ccccc3[C@H]2C(=O)O)c2ccccc21 2325788455 HJWPLGHJPPXBGM-JENIJYKNSA-N 350.418 2.519 0 50 FFAA Cn1cc([C@H](NC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O)c2ccc(F)cc2)cn1 2325815709 FSZQLUNTICHKQT-KISNFGTJSA-N 371.412 2.512 0 50 FFAA N[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 2325849769 ZTYMKZKEXXPXCF-OAQYLSRUSA-N 364.424 2.771 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CC=C(Br)CC2)c1 2325889004 MWEXHANATHYKQR-UHFFFAOYSA-N 351.200 2.641 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)CC1 2325889297 JBUKZMVTGGUKJO-CYBMUJFWSA-N 368.886 2.726 0 50 FFAA O=C(O)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1 797213 SOEQMMPAOITRLM-UHFFFAOYSA-N 370.224 2.626 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 811628 PQDKVOGGOLWGRX-QGZVFWFLSA-N 372.446 2.759 0 50 FFAA biogenic,in-vitro CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)Cc4cc(F)cc(Cl)c4)C[C@@H]13)O2 2356148792 RZEHVYMSCRUMRB-DFEOGRTESA-N 366.864 2.589 0 50 FFAA Cc1nc(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cs1 2356167498 ZRLXETJAKYBVLF-LNLFQRSKSA-N 363.527 2.712 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cnc2sccn2c1=O 2356169446 RCQBZKFDQKVEHR-UHFFFAOYSA-N 366.402 2.901 0 50 FFAA CCCCCCOC(=O)C[C@H](C(=O)OCCCCCC)S(=O)(=O)O 4065045 SOSQXPIKTBUEKF-CQSZACIVSA-N 366.476 2.880 0 50 FFAA CCCC[C@H](NC(=O)[C@H](CCC)NC(=O)OCc1ccccc1)C(=O)O 4760576 XPRXIIXCLWGYHA-HOTGVXAUSA-N 364.442 2.841 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)c1cccc(-c2ccc(O)cc2)c1 55414607 LXMJSSFUYJGXTN-LJQANCHMSA-N 354.450 2.636 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)cc1 55462683 HATAYPNEKXQEMF-JKSUJKDBSA-N 352.500 2.580 0 50 FFAA Cc1ccc(C)c(-c2cn3c(C(=O)N4CCCNC(=O)C4)csc3n2)c1 67514294 QUIAGQQFUWWNFE-UHFFFAOYSA-N 368.462 2.642 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N(C)Cc2nccn2C)no1 67982059 QQTCOMRNRMRUCC-UHFFFAOYSA-N 372.450 2.981 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(NC(=O)C2CC2)cc1 249332072 PINCYBGQDFBBFF-JQHSSLGASA-N 370.449 2.981 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)no1 67872876 FUJBYTYJEVWWPD-QGZVFWFLSA-N 357.454 2.948 0 50 FFAA CC(C)CN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O 1062831 DCUYHWMCTBUCSN-UHFFFAOYSA-N 351.358 2.868 0 50 FFAA CCOc1ccc(-n2ccc3c(cnc4nc(SCC)nn43)c2=O)cc1 30875507 GMRMSBUPOQVJPN-UHFFFAOYSA-N 367.434 2.939 0 50 FFAA Cc1cc(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)no1 2778909 NNPOFYAOFBGTMC-UHFFFAOYSA-N 353.098 2.750 0 50 FFAA CC(C)n1ccnc1CN1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 71278594 UPFHGOKMOMHMKV-UHFFFAOYSA-N 366.469 2.718 0 50 FFAA CCC(CC)N(C)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71756898 YLVJQNZOIVKAIM-INIZCTEOSA-N 361.486 2.623 0 50 FFAA Cn1ccnc1CN1CCCC12CCN(c1cnc3ccccc3n1)CC2 72448115 AGUJOWUTXDKXLL-UHFFFAOYSA-N 362.481 2.998 0 50 FFAA CCCc1nnc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)o1 71767872 LWAUBUKWFQSAFN-ZDUSSCGKSA-N 353.426 2.993 0 50 FFAA CC(C)(CO)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 152562653 UVPXTUDWZWFVRE-SFHVURJKSA-N 364.449 2.799 0 50 FFAA O=C(NCC[C@@H]1CCCNC1)c1cnc2c(cnn2Cc2ccccc2)c1 152732866 JJGDOUGXKHMZLD-INIZCTEOSA-N 363.465 2.599 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@H]([C@@H](C)N)C2)nn1-c1ccccc1F 236925949 BXEXHWKUVDFYAF-KGLIPLIRSA-N 359.449 2.558 0 50 FFAA CC1(C)CN(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C(F)(F)F)O1 333685873 BJDJXDJUSGFDKS-LPWJVIDDSA-N 350.381 2.695 0 50 FFAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1 237464572 QUIZVTDJLVCMFC-FZZIBODNSA-N 365.886 2.672 0 50 FFAA O[C@H](c1cc2n(n1)CCCN(C1CSCCSC1)C2)C1CCC1 219618786 BYQMGFYYFVNIBG-KRWDZBQOSA-N 353.557 2.771 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OC1=O 77321295 FBUWQXLWPLNGBM-GFCCVEGCSA-N 367.396 2.975 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 237982147 FZGRPNQENUMDAS-HZPDHXFCSA-N 358.438 2.824 0 50 FFAA COc1ccccc1O[C@@H](C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12 172905645 QSZFBGXLVCJIBB-LBPRGKRZSA-N 370.380 2.873 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc(C2CC2)[nH]c1=O 72419744 AGZXTNULFLSRSK-UHFFFAOYSA-N 372.513 2.908 0 50 FFAA C[S@@](=O)c1ccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)cc1 377580696 CZGAMFUGUOVWLI-RUZDIDTESA-N 358.419 2.829 0 50 FFAA CC[C@H](O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 72127133 NAGTYMGNUPXMBL-FQEVSTJZSA-N 352.478 2.543 0 50 FFAA Cc1nc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 71775836 KXVMNEJJDAVQNX-KRWDZBQOSA-N 360.433 2.776 0 50 FFAA CCc1nc(C2(NC(=O)Nc3nc(COC)cs3)CCCC2)no1 176581312 FOEOZFSTZCWMOX-UHFFFAOYSA-N 351.432 2.826 0 50 FFAA O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91595678 FRKDDRSYCPJGKM-VQTJNVASSA-N 363.461 2.664 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 95501731 CFINTRGHGXDAIK-OAHLLOKOSA-N 366.465 2.880 0 50 FFAA CCc1c(C)nn(CCNC(=O)Nc2cccc(Cn3cncn3)c2)c1C 95503412 QVDNZHANJDIVRK-UHFFFAOYSA-N 367.457 2.524 0 50 FFAA O=C(c1ccc2[nH]c(CO)nc2c1)N1CCc2[nH]c(-c3ccccc3)nc2C1 96151843 VKLLRCSTGNOTIW-UHFFFAOYSA-N 373.416 2.644 0 50 FFAA O=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CCn1cccn1 92098402 HINVTVYGLWBAOF-INIZCTEOSA-N 350.426 2.549 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(OC(F)F)cc1)C2 91663500 RVQAAPQNGPFFIJ-GXTWGEPZSA-N 367.396 2.506 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(F)c(F)c3F)CC2)CN1CCCO 91745887 RTDUIPOGPZGNFA-UHFFFAOYSA-N 370.415 2.691 0 50 FFAA COc1cccc2c1OC[C@H](Cc1cncc(C(=O)N3CCCC3)n1)C2 95370409 QGCTYAYXKKNWAS-AWEZNQCLSA-N 353.422 2.515 0 50 FFAA O[C@H]1CCN(c2ccnc(N3CCc4[nH]c5ccc(Cl)cc5c4C3)n2)C1 95500798 QRNQUVHICBEZES-ZDUSSCGKSA-N 369.856 2.745 0 50 FFAA O=C(CCN1CCCCCC1)N1CCC2(CC1)Nc1ccccc1NC2=O 92062163 BIHBCCTUUYDTHY-UHFFFAOYSA-N 370.497 2.678 0 50 FFAA CSc1ncc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)cn1 95378317 RQAQHWMPIUEFPV-KRWDZBQOSA-N 368.506 2.837 0 50 FFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCS(=O)(=O)CC1 91547929 DNPIYPSXYCLTPL-AWEZNQCLSA-N 361.463 2.643 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 91486225 JONYRGHQIAXCRL-JOCHJYFZSA-N 369.509 2.546 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC(Nc3ccccn3)CC2)[nH]n1 91445172 XBVKYPNLQOAJBB-UHFFFAOYSA-N 350.426 2.527 0 50 FFAA CC(C)(C)[C@H](NC(=O)c1nn(CCCCCF)c2ccccc12)C(N)=O 96024529 SOYDDJYBRCNNIT-MRXNPFEDSA-N 362.449 2.806 0 50 FFAA in-vitro CCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1nnc2n1CCCC2 95375288 QPWSVPUZDGIZRB-OAHLLOKOSA-N 366.469 2.794 0 50 FFAA O=C1CC2(CCN([C@H]3CCCNC3)CC2)CN1C/C=C/c1ccccc1 95376011 JHRGEZLNGVEXRH-FKIZTMCRSA-N 353.510 2.766 0 50 FFAA Cc1ccc2[nH]c(CN3CCC(c4cc(=O)[nH]c(C)n4)CC3)cc(=O)c2c1 91289633 YQJXCVYPSCNJLA-UHFFFAOYSA-N 364.449 2.608 0 50 FFAA COc1ccc2[nH]c(CCN(C)c3cc([C@H]4C[C@@H](N)C4)nc(C)n3)nc2c1 244811665 SIXLDVWDQCIRCQ-OKILXGFUSA-N 366.469 2.554 0 50 FFAA Cc1cc(C2CCC2)nc(N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)n1 243932454 BVMFUHQOJYZVJS-IEBWSBKVSA-N 366.465 2.740 0 50 FFAA O[C@H]1C[C@@H]([C@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 244872958 WHLYMYUJLRPGNB-UWWQBHOKSA-N 351.537 2.872 0 50 FFAA Cc1cc(N)n(CC(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)n1 244716243 LLNUTZCVPWLCLN-NRFANRHFSA-N 370.497 2.807 0 50 FFAA c1ccc(CN2CCC[C@H](CN3CCN(c4cnccn4)CC3)C2)cc1 252509800 YVYXXUSVPDHZGE-HXUWFJFHSA-N 351.498 2.511 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)cc1C(=O)O 299750971 OYAPUNNNKOCRHJ-HNNXBMFYSA-N 359.403 2.563 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O 299750604 OASVCKBLNVIKIT-ZGMNHVEMSA-N 374.462 2.734 0 50 FFAA Cc1cccc2c1c(-c1cccc(C(=O)N[C@@H]3CCN(C)C3=O)c1)nn2C 534636322 YLTFHLNUZVJDFU-MRXNPFEDSA-N 362.433 2.509 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(-c3ccccn3)nn2CC(F)(F)F)CC[C@H]1N 1940198296 BVTNBMBYHSQOBW-DMDPSCGWSA-N 355.364 2.512 0 50 FFAA COc1ccc(NC(=O)N(C)Cc2ccncc2C)cc1C(=O)N(C)C 299764906 WEYCJSKMKQAQPY-UHFFFAOYSA-N 356.426 2.764 0 50 FFAA Cc1ccc(C(F)(F)F)cc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299793358 IRBIZXSFOWRTQI-HOTGVXAUSA-N 352.360 2.951 0 50 FFAA CN(C)Cc1nc(C(=O)NCCOc2cccc3cccnc23)cs1 823719939 YQKBECRFMJJWPQ-UHFFFAOYSA-N 356.451 2.562 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)NCC2(N3CCCCC3)CCCCC2)CC1=O 497710174 FECFEGWQBVUIHM-QGZVFWFLSA-N 363.546 2.938 0 50 FFAA OCc1ccc(CN2CCOC3(CCN(Cc4ccsc4)CC3)C2)o1 828827031 QKKJIOXXZMBDRI-UHFFFAOYSA-N 362.495 2.700 0 50 FFAA COc1ccc(C[C@H](N)C(=O)Nc2ccccc2CN2CCCC2)cc1 824673634 FJWBDRKTTOIPJZ-IBGZPJMESA-N 353.466 2.800 0 50 FFAA Cc1cccc([C@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C2CC2)n1 584898787 HICYVJKFYBFMNS-GOSISDBHSA-N 368.437 2.602 0 50 FFAA Cc1nc(S(=O)(=O)NCCc2ccc(OCCC(C)C)cc2)cn1C 670446501 ASEVYKBIYIXOLT-UHFFFAOYSA-N 365.499 2.674 0 50 FFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(Cc3ccccc3OC)C[C@@H]21 1565530878 UJJYZUGYUBSKFU-UWJYYQICSA-N 369.417 2.767 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c(O)n1 278441131 PJJZLKHKQSQUAA-JTQLQIEISA-N 354.332 2.857 0 50 FFAA COc1cccc(CC2CCN(c3ncnc(-n4cccn4)c3N)CC2)c1 302185838 UBQYWMQQXJWZEV-UHFFFAOYSA-N 364.453 2.712 0 50 FFAA C[C@H]1CN(C(=O)Nc2cn(C)nc2-c2ccccc2)CC2(CCOCC2)O1 279524071 KMOMGMICXLOPTM-HNNXBMFYSA-N 370.453 2.889 0 50 FFAA O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C[C@H](O)CC1CCCC1 191285639 LQJNJCMMIUJHNS-MRXNPFEDSA-N 356.401 2.663 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2O)n[nH]1 1529187719 YIYWDTIPJBGVOD-DNVCBOLYSA-N 371.872 2.593 0 50 FFAA CCC1(C)CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)CC1 1529194567 ACUZMNYAXKSFHN-MOPGFXCFSA-N 358.482 2.932 0 50 FFAA O=C(CS[C@H]1CC(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1 1198469 UVWSGYBSOXTUQC-INIZCTEOSA-N 354.431 2.686 0 50 FFAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 889046 KGQLSYJNOJMIRM-UHFFFAOYSA-N 355.799 2.921 0 50 FFAA Cc1cnc(CNC(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)cn1 1772810336 KKQZFTBQEUPTLS-AWEZNQCLSA-N 365.462 2.725 0 50 FFAA CN(C[C@H]1CCCCN1C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 11820213 PABZBVGAEKHZTG-GOSISDBHSA-N 365.481 2.969 0 50 FFAA Cc1nc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c[nH]1 12434144 BMVYJRFXNCZROG-UHFFFAOYSA-N 368.481 2.998 0 50 FFAA CN1CCCC[C@H]1CCNC(=O)c1ccc(NCc2ccccn2)nc1 12434752 JURMLVQQLPLOEK-SFHVURJKSA-N 353.470 2.693 0 50 FFAA Cc1ccccc1CN1CCC[C@H](n2cc(C(=O)N3CCCC3)nn2)C1 14982734 RIGGHANRAHRBQW-SFHVURJKSA-N 353.470 2.660 0 50 FFAA COc1cccc(CNCCN2CCOCC2)c1OCc1ccc(F)cc1 19872208 NZYAZERACIZASM-UHFFFAOYSA-N 374.456 2.835 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)cc2)c1 4412467 KZICXIOQENVMHI-UHFFFAOYSA-N 371.412 2.616 0 50 FFAA COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1Oc1cc(F)cc(CN)c1 1857685256 FYMALNLFUNYGSM-CYBMUJFWSA-N 373.428 2.519 0 50 FFAA O=C(O)CN1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857704195 HPLRKMSZXPGSLZ-GOSISDBHSA-N 374.481 2.560 0 50 FFAA CCOc1ccc(CCCC(=O)N[C@@H]2C[C@H]3CO[C@H](C)CN3C2)cc1C 1857711729 DTJYINSZGGPCLG-QRQLOZEOSA-N 360.498 2.694 0 50 FFAA Cn1cc(-n2nc(COc3cccc(F)c3)nc2[C@H]2C[C@@H]3CC[C@H]2O3)cn1 1857716454 MXSHLPNYIHJKOS-YESZJQIVSA-N 369.400 2.754 0 50 FFAA CCC[C@]1(CO)CCN(Cc2cccc(-n3nc(C)cc3C)c2)C[C@@H]1O 1875248321 KWAYRKATMZSTTE-LEWJYISDSA-N 357.498 2.835 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cn3c(C)cccc3n1)C2 225410539 LYLUCRNACJTTOE-SJORKVTESA-N 366.465 2.672 0 50 FFAA Cc1noc(C)c1[C@H](C)C(=O)NCc1cccc(CN2CCCC2=O)c1 131454338 NXTDXVMTCKLNCF-ZDUSSCGKSA-N 355.438 2.834 0 50 FFAA CN(C(=O)c1ccnn1CC(F)F)C1CCN(Cc2ccccc2)CC1 363778421 MWBIVALBLJBVQD-UHFFFAOYSA-N 362.424 2.885 0 50 FFAA Cc1c(CC(=O)N2CCC3(CCOCC3)[C@@H]2C)nnn1-c1ccccc1 374958853 BFUDNPCQKMQEPF-INIZCTEOSA-N 354.454 2.536 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2CCN(CC(F)(F)F)C(=O)C2)cc1 809711517 YHLQYLMXLYZBHO-UHFFFAOYSA-N 352.360 2.592 0 50 FFAA O=C(Cn1c(=O)c(=O)[nH]c2ccccc21)Nc1ccc(Cl)c2ccoc12 1875264236 HEIXJLFLZATNDW-UHFFFAOYSA-N 369.764 2.728 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1cccnc1 1875254723 FFQNWDBWQZXWFD-RDTXWAMCSA-N 355.486 2.664 0 50 FFAA Cc1nnc([C@H]2C[C@@H](NC(=O)N3CCCN(c4ccccc4)CC3)C2)o1 1875295550 JMXGMAVUGPMUAG-IYBDPMFKSA-N 355.442 2.546 0 50 FFAA CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)cnc2O)C1 1875283426 RTXIYDUHOFSGSW-ZDUSSCGKSA-N 359.451 2.504 0 50 FFAA CCc1ccc(-c2noc([C@H](C)NC(=O)Cc3ccnc(CN)c3)n2)cc1 1875340697 NGVVQTOQMHATKT-ZDUSSCGKSA-N 365.437 2.573 0 50 FFAA CCc1ncoc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)CCc2cccs2)C1 1875315101 IOYNGUQEZKXFNW-QWHCGFSZSA-N 361.467 2.651 0 50 FFAA FC(F)(F)c1ccnc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)n1 888078386 NCWLMTSQSRHRGB-ONGXEEELSA-N 355.320 2.946 0 50 FFAA CN1CCc2nc(C(=O)NCCCn3ccc4ccccc43)sc2C1 2325734105 FILZEAQFYJDPAV-UHFFFAOYSA-N 354.479 2.906 0 50 FFAA O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 2325806814 ICKLTZHIMGZWTL-GFQSEFKGSA-N 357.376 2.912 0 50 FFAA C[C@H](NC(=O)c1ccc2c(c1)C(=O)CCC2(C)C)c1nc([C@@H](C)O)n[nH]1 2325851899 LYEUMYXGZVOTME-WDEREUQCSA-N 356.426 2.603 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 794631 XLQUTUSBPFBIPN-IAGOWNOFSA-N 356.422 2.918 0 50 FFAA CN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 1143941 VFMCRESCVDJNJF-UHFFFAOYSA-N 356.806 2.738 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1OC 1158057 GQEJUWMDRQCYTA-UHFFFAOYSA-N 374.418 2.837 0 50 FFAA CN1CCC(n2nc(C3CCOCC3)nc2-c2ccc3cc[nH]c3n2)CC1 2356166356 UPGHKHBHEMBXHO-UHFFFAOYSA-N 366.469 2.982 0 50 FFAA CCCC(=O)Nc1cccc(C(=O)NCCc2cn3nc(C)sc3n2)c1 55393072 LNIGODIKYJHPQW-UHFFFAOYSA-N 371.466 2.810 0 50 FFAA Cn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cc2ccccc2o1 10681735 QKPQGXMTZIBGEE-CYBMUJFWSA-N 372.450 2.616 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 9418932 KELPOGCLGVLCHE-GXTWGEPZSA-N 368.359 2.920 0 50 FFAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1coc(CN2CCOCC2)c1 55099786 ULSJQKURRCIGGG-INIZCTEOSA-N 357.454 2.948 0 50 FFAA C[C@@H](NC(=O)CCN1CCCCCCC1)c1nc(-c2ccncc2)no1 55269729 JKJBMAOFLNKFCO-OAHLLOKOSA-N 357.458 2.965 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccc(F)cc2n1 27158602 KDZJXWXBNZSCNW-UHFFFAOYSA-N 367.380 2.874 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 55253697 GCMZOONNJMNEDU-HNNXBMFYSA-N 360.458 2.732 0 50 FFAA COC(=O)[C@]1(C)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccccc2C)N1C 55211174 KDIPNFGSHYXBHW-WFXMLNOXSA-N 358.482 2.978 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO 20272233 ZXJKWGFGMIQADX-FQEVSTJZSA-N 370.493 2.860 0 50 FFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CO)N(C(=O)OCc2ccccc2)C1 306948836 UMIGHSYDRZFWNL-HZPDHXFCSA-N 364.442 2.673 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 20166678 TVTIIWDAMPBCLS-UYAOXDASSA-N 360.417 2.673 0 50 FFAA COc1ccc(CC[C@H]2CCCCN2S(=O)(=O)NC(C)C)cc1OC 330714155 AKBQZCGPNIZNQT-MRXNPFEDSA-N 370.515 2.734 0 50 FFAA CCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 229737508 ZYFVTLZWKANQIZ-GOEBONIOSA-N 358.404 2.977 0 50 FFAA COC(=O)c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]2CCCC[C@H]21 230123879 QHKPWOWRBUMKPB-GXTWGEPZSA-N 355.431 2.956 0 50 FFAA COc1cccc2c1OCC([C@H]1CC(=O)NCc3nc4ccccn4c31)=C2 65366134 FOJLCMQIZYZHSB-OAHLLOKOSA-N 361.401 2.922 0 50 FFAA O=C(CCc1cc(O)no1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72475147 BEPZDQJYKQBORU-BBTUJRGHSA-N 370.449 2.992 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CN1CCCCCC1 12074548 FCNRKKZFJCODSL-OAHLLOKOSA-N 353.470 2.900 0 50 FFAA CCCS(=O)(=O)NC(=O)Cn1c(C)c(Br)c2ccccc21 122796045 CGQPRHIFQDKRAJ-UHFFFAOYSA-N 373.272 2.568 0 50 FFAA COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1 4689548 RALWDDQKQRAAGT-OAHLLOKOSA-N 359.378 2.658 0 50 FFAA biogenic CCCCN1C[C@@]2(CCCN(C(=O)c3nn(C)cc3Cl)C2)CCC1=O 77321905 FFMFPUYSVQVIFU-GOSISDBHSA-N 366.893 2.718 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215475639 UREQQBRXXIHLMZ-KRWDZBQOSA-N 372.856 2.626 0 50 FFAA Cc1ncc(C(=O)NCCc2csc(N3CCCC3)n2)c(C(C)C)n1 172313696 HAIYCGMHVVZRNM-UHFFFAOYSA-N 359.499 2.938 0 50 FFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 329763274 UIBAWUZCMUPZDK-YTQUADARSA-N 374.444 2.777 0 50 FFAA COC[C@@H](Cc1ccccc1)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 437579185 KXKYYZHFEGGIIY-VQIMIIECSA-N 353.466 2.915 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3ccc(OC(F)F)cc3)CC2)OC1=O 72152019 QBSDOYQVHKMTDI-KRWDZBQOSA-N 354.353 2.735 0 50 FFAA Cc1ccccc1-c1nc(CN2CCC(N(C)c3cccnn3)CC2)no1 127392814 PXLILCSLKCOSSJ-UHFFFAOYSA-N 364.453 2.936 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)CN(C)Cc3ccc(C)cc3)C2)CCC1=O 72418987 VULCQNOJCPYMKJ-QFIPXVFZSA-N 371.525 2.678 0 50 FFAA COc1ccccc1N1CC[C@@H](CNC(=O)N2CCc3ncsc3C2)C1 370414354 PWFYZCWQGSVLBQ-AWEZNQCLSA-N 372.494 2.746 0 50 FFAA CCOC1CC(CN[C@H](c2cccnc2)C2CCC2)(N2CCOCC2)C1 373594752 OUYAMJSBSYVTCA-KBWCOIMZSA-N 359.514 2.782 0 50 FFAA CN1C[C@@]2(CCCN(C3CCN(CCc4ccccc4)CC3)C2)OC1=O 72434676 OVXKZPIHFXWAHQ-OAQYLSRUSA-N 357.498 2.610 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@](C)(COC)C(=O)O)c1 262934836 KNTJIBIFOGVINE-HXUWFJFHSA-N 357.406 2.972 0 50 FFAA COc1cccc(-c2noc(-c3ccc(OC)c(N4CCNC4=O)c3)n2)c1 174864089 WGZRWOMSAFEGBB-UHFFFAOYSA-N 366.377 2.950 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)co1 132680499 DLHGDKQJXWLOEO-CYBMUJFWSA-N 362.451 2.629 0 50 FFAA O=C(O)[C@@H]1CCCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 159908223 PQQJAWOSLUWQBO-HNNXBMFYSA-N 373.478 2.978 0 50 FFAA Cc1cc(C)n(C[C@H](C)N2CCC3(CC2)Nc2ccccc2NC3=O)n1 82097539 TZBKTERZEBOGHA-INIZCTEOSA-N 353.470 2.787 0 50 FFAA CCCc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n[nH]1 426470793 IGJHIRAEAOGXBT-AWEZNQCLSA-N 367.457 2.846 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NC2CCN(Cc3cccnc3)CC2)C1 426548744 IKVPBOWHSXVTMU-LJQANCHMSA-N 360.502 2.647 0 50 FFAA O=S(=O)(C[C@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 178391140 YMWFGMUXGKQZPR-GOEBONIOSA-N 351.468 2.779 0 50 FFAA CC(C)c1nc(-c2ccc(C(=O)N3CCC(n4cnnc4)CC3)cc2)no1 426477353 ICRQZVFNYUKUBP-UHFFFAOYSA-N 366.425 2.929 0 50 FFAA Cc1cc2ccccc2n1CCN(C)C(=O)c1ccc(-n2cnnc2)nc1 97446862 KRYLAAVWISSQAZ-UHFFFAOYSA-N 360.421 2.698 0 50 FFAA COCCCN1CC2(CCN(Cc3ccc4c(c3)C[C@H](C)O4)CC2)CC1=O 95364450 YKWAJPZDTCTWOG-KRWDZBQOSA-N 372.509 2.861 0 50 FFAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1n[nH]c2c1CCCC2 96164181 YFKXQHKXXRIAOB-KRWDZBQOSA-N 352.482 2.898 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3cccc(Cl)c3n1)CC2 92077552 DSZYNHGOJVKATK-CVEARBPZSA-N 360.841 2.890 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 179365746 ZJVUSVOTOKKCTM-IAGOWNOFSA-N 353.470 2.691 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@@H]3CCCN(C4CCCC4)C3)CC2)n1 95357091 VKQDPXSWZKTFIG-QGZVFWFLSA-N 360.502 2.814 0 50 FFAA Cc1cccnc1OC1CCN(c2ncnc3c2ncn3C2CC2)CC1 292785348 QAQUVCLAOGTMCT-UHFFFAOYSA-N 350.426 2.912 0 50 FFAA C[C@]1(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)CCCO1 95502566 BEJZUSCNSZYLRF-HXUWFJFHSA-N 354.454 2.602 0 50 FFAA O=C(NC[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1OCc1ccccc1 95508565 UUBLETHBZWHVRW-INIZCTEOSA-N 374.462 2.822 0 50 FFAA CCCc1ncncc1-c1nc(C2(c3ccccc3)CC2)nn1CC(=O)O 97655381 ZFRAHBURKOULTP-UHFFFAOYSA-N 363.421 2.852 0 50 FFAA CN1CCN(Cc2cc(F)ccc2C(F)(F)F)C[C@]12CCNC(=O)CC2 91593572 UYWBVYRBDKIIRV-KRWDZBQOSA-N 373.394 2.631 0 50 FFAA CCCn1nc(C)cc1NC(=O)N1CCCN(Cc2ccccn2)CC1 95519698 HYUPFDRNQMZJGI-UHFFFAOYSA-N 356.474 2.736 0 50 FFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CCO)CC1 95530128 DZWDQUQOEPHLAT-OAQYLSRUSA-N 374.525 2.597 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCOc3ccc(CO)cc3C2)N(C)C)cc1 91351101 KDUOXFUXGULBBX-FQEVSTJZSA-N 354.450 2.511 0 50 FFAA C[C@H](c1ccc(C(=O)NC(C)(C)c2nnc(N)s2)o1)N1CCCCC1 97217625 ABGZAPYZQWBRIZ-LLVKDONJSA-N 363.487 2.925 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ncn[nH]3)CC2)C1 92037859 KOPYQXIVVHCWPM-QGZVFWFLSA-N 353.470 2.537 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@]3(CCCN(C4CCOCC4)C3=O)C2)cc1 91574829 AYUDSXDEEVVSSR-NRFANRHFSA-N 356.466 2.629 0 50 FFAA COc1ccc([C@H](NC(=O)c2cccc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)cn1 244774276 PRDBBIUUNGAHBK-SCTDSRPQSA-N 354.406 2.535 0 50 FFAA C[C@H](NC(=O)c1cnc2c(c1)nnn2C)c1ccc(OC(F)(F)F)cc1 181450462 RKSPLYHQIMSUSQ-VIFPVBQESA-N 365.315 2.753 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 245226831 NQQTUEFYXYDZMJ-HSGSIZQLSA-N 351.402 2.845 0 50 FFAA Cc1cnc([C@@H](C)CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)s1 183207711 HYJYPADGQKFPTC-JTQLQIEISA-N 365.480 2.707 0 50 FFAA COc1ccc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)cc1C(=O)O 252482708 DMHYBKXKBCSCGF-FQEVSTJZSA-N 355.390 2.622 0 50 FFAA COc1ccc(CN2CC[C@](O)(c3ccccc3C)C2)cc1OCC(=O)O 534675287 CAKDAFKRYNOQGJ-OAQYLSRUSA-N 371.433 2.561 0 50 FFAA CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc4nsnc4c3)[C@H]2C1 534650560 DPMYQBYMDBGRFJ-DKSSEZFCSA-N 374.510 2.730 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1cccc(-c2ccn[nH]2)c1 299761619 WWJXSPPUMNWYEE-OAHLLOKOSA-N 368.397 2.675 0 50 FFAA COc1ccc(CN2CCN(C(=O)NC(C)(C)C(C)(C)C)CC2=O)cc1 584896390 CUIRDELYLZHWCW-UHFFFAOYSA-N 361.486 2.874 0 50 FFAA O=C(c1ccc2n[nH]cc2c1)N1C[C@H](C[C@@H]2COCCN2)c2ccccc21 1341258490 KOGLKBKCAXGATQ-DLBZAZTESA-N 362.433 2.685 0 50 FFAA COc1ccccc1-n1cc(C(=O)NC[C@H](c2ccco2)N(C)C)cn1 952965793 BZTLYWKQIDJFGY-MRXNPFEDSA-N 354.410 2.507 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCN1CCCCCC1=O 952977216 XJQTVXANUPBCQM-UHFFFAOYSA-N 372.425 2.785 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)c(C)o1 222214972 KMXXLTKQQBSPTE-CIISACIHSA-N 360.435 2.778 0 50 FFAA Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@H](C)N)C2)c1 272614330 SFLQYWFTVXDLBU-RYUDHWBXSA-N 361.305 2.505 0 50 FFAA C[C@@H](NS(=O)(=O)Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 170616393 RFZSAGHIPQKTAL-CYBMUJFWSA-N 364.433 2.769 0 50 FFAA O[C@@]1(c2cnn[nH]2)CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 794046202 YERBCDDDBCGJRY-KRWDZBQOSA-N 359.817 2.597 0 50 FFAA Cc1ncc(CN(CCN(C)C)Cc2cn(-c3ccccc3)nc2C)[nH]1 1704308767 JSHZZLVTHRPSNQ-UHFFFAOYSA-N 352.486 2.776 0 50 FFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704354552 IGBNDWUUUNCETR-DNVCBOLYSA-N 363.417 2.776 0 50 FFAA OC[C@@]1(O)CCOC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)C1 1704339570 MOJBFNBZIAQNOR-LJQANCHMSA-N 364.486 2.591 0 50 FFAA Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)cc1C 1173267 FPHBEWMOCTWYFF-UHFFFAOYSA-N 358.463 2.777 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 11753784 IQTIRVJHJFIJMQ-CYBMUJFWSA-N 352.381 2.588 0 50 FFAA CN(C)S(=O)(=O)NC[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 12198967 KVGKJSWCEAIHTK-AWEZNQCLSA-N 367.540 2.509 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1cc(COc2cccc(F)c2)[nH]n1 12299971 XIXDQNCLWNLIQF-UHFFFAOYSA-N 369.352 2.787 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)n[nH]2)c1 12445360 RTESBMWQWKTEII-OAHLLOKOSA-N 371.437 2.879 0 50 FFAA COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(C)CC3)cc1 14754002 LHHRLGDUXVXDFJ-UHFFFAOYSA-N 373.497 2.622 0 50 FFAA O=C(N[C@@]1(C(=O)O)CC[C@H](O)C1)OCC1c2ccccc2-c2ccccc21 15446457 FPTJRPYTKCYJLR-ZSEKCTLFSA-N 367.401 2.893 0 50 FFAA CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 4276444 GBTHDCJMNYIKOS-UHFFFAOYSA-N 367.477 2.860 0 50 FFAA Cn1cc(CNC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)cn1 1857668588 CAOHLMWOUOUKHC-ZDUSSCGKSA-N 373.844 2.748 0 50 FFAA O=C(NCCc1cnc[nH]1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857700007 IMOZMBYDOBRRDV-LBPRGKRZSA-N 373.844 2.780 0 50 FFAA Cn1ccnc1CN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)NC1CC1)C2 1857709845 UUAJRYZLXPCQCT-NNMXDRDESA-N 364.493 2.665 0 50 FFAA O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1 1813280 TWIVXHQQTRSWGO-QGZVFWFLSA-N 371.389 2.890 0 50 FFAA in-vitro Cc1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)nn1C(C)C 448788542 UDIYCLGFJTWUSP-UHFFFAOYSA-N 360.483 2.869 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@H]1COc2ccc(Cl)cc2C1 363398858 PUEYHQJFZCWORW-CZUORRHYSA-N 361.829 2.905 0 50 FFAA CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@@H](c1ccc(Cl)cc1)C(F)(F)F 163222354 FLTMXRNGXISUIR-JQWIXIFHSA-N 369.792 2.837 0 50 FFAA CN(Cc1ncc(Cl)n1C)S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 914342080 QSILIIIKKNBGDP-STQMWFEESA-N 357.838 2.530 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C)o1 952852858 ZBORNHAVAJDLMM-STQMWFEESA-N 357.458 2.653 0 50 FFAA CCOC(=O)c1nn(CCC(C)C)c2c1CN(Cc1cnn(C)c1C)CC2 14539194 XPBUASLTXCRMDG-UHFFFAOYSA-N 373.501 2.706 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@H](n2cccn2)C1 2325703929 SWFWVOFAQNQONB-INIZCTEOSA-N 368.416 2.755 0 50 FFAA CCc1cccc2c(C(=O)COC(=O)c3ccn(CCOC)n3)c[nH]c12 2325748583 LBTOAUBSKWPAPE-UHFFFAOYSA-N 355.394 2.613 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)C1CCN(c3ccncn3)CC1)[C@@H]2C 2325766846 NUWUWCMVPFQCAE-OAHLLOKOSA-N 366.465 2.848 0 50 FFAA Cc1c[nH]c(-c2ccc(NC(=O)N3CCN(c4cnccn4)CC3)cc2)n1 2325782341 PWOGRDMQYKVPCQ-UHFFFAOYSA-N 363.425 2.529 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NC[C@@H]1CCC[C@@H](c2ccccc2)CC1 2325797025 TULJVRXQGBCNHZ-CRAIPNDOSA-N 356.466 2.910 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1[nH]nc(Br)c1-c1ccccc1 2325804960 FADWTRXBJFMGDE-NSHDSACASA-N 350.216 2.748 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](c3ccnn3C)C2)cc1 2325890023 SGMRROVOACPDDM-MRXNPFEDSA-N 352.438 2.589 0 50 FFAA CN(C)[C@@H](CNc1ccc2nnc(Br)n2n1)c1ccccc1 881746792 ROADPKLOOJZFBA-LBPRGKRZSA-N 361.247 2.602 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N3CCC[C@H]3Cc3ccccc3)cc12 129830115 CIWJHRTWJIGQRN-HNNXBMFYSA-N 357.435 2.927 0 50 FFAA O=Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccc(Br)cc12 638286 BUHMSNYVUYCBKL-ZDUSSCGKSA-N 365.227 2.512 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 670213 QBEHMVCNWWBSCJ-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CC1=C(C)C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C(=O)O)C1 894859 HQKSZMPYLDTIRF-OALUTQOASA-N 356.466 2.778 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)c2c(Cl)cccc2Cl)cc1 1088686 FRHDPYJYEAYYIO-UHFFFAOYSA-N 373.261 2.613 0 50 FFAA Cn1ccnc1SCC(=O)c1ccc(I)cc1 1201445 ISAWUBNNBQLERG-UHFFFAOYSA-N 358.204 3.000 0 50 FFAA CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2142320 KWURALNTHDDNSZ-UHFFFAOYSA-N 363.391 2.624 0 50 FFAA CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 2861605 VEVFPAWOTCJJDY-UHFFFAOYSA-N 373.228 2.545 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1 100798593 RWTKUHLOASKEEP-USJZOSNVSA-N 374.868 2.820 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 10302263 PSAGIOKVBSOEDH-SNVBAGLBSA-N 365.282 2.994 0 50 FFAA CC(C)N1CCC(NC(=O)CN2C[C@@H](c3ccccc3)OCC2(C)C)CC1 114456381 MFTXTRXHEFNIHW-FQEVSTJZSA-N 373.541 2.828 0 50 FFAA C[C@@](O)(CNC(=O)c1ccccc1-n1cccn1)c1ccc(F)cc1F 114553110 PXBGWBUQGFVONV-LJQANCHMSA-N 357.360 2.788 0 50 FFAA Cc1ccc(Cn2nc(C)c(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2C)cc1 102612769 RLDZRWVPMWVRFD-BDXSIMOUSA-N 365.433 2.523 0 50 FFAA O=C(NCc1cccc2ccccc12)c1cc(CN2CCOCC2)on1 20775464 YBZJZWBNNDYBJR-UHFFFAOYSA-N 351.406 2.590 0 50 FFAA Cc1nc2ccccn2c1CN1CCCC[C@@H]1CCN1CCN(C)CC1 102546925 YDEOZLCECGRFDE-LJQANCHMSA-N 355.530 2.635 0 50 FFAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1ccc(=O)[nH]n1 55310667 APPQXGNRVWSAGA-UHFFFAOYSA-N 363.417 2.930 0 50 FFAA O=C1C[C@H](NNc2ccccc2)C(=O)N1c1ccc(N2CCCCC2)cc1 100903049 IZNNQIHVFFVRFN-IBGZPJMESA-N 364.449 2.926 0 50 FFAA C[C@H](Cn1cncn1)C(=O)NCc1cccnc1Oc1ccccc1F 67955874 ZFMOPZAHKGPAPV-CYBMUJFWSA-N 355.373 2.557 0 50 FFAA O=C(CNC(=O)c1cc(Cl)ccc1Cl)Nc1cnc2n1CCCC2 67868955 VNOGRMPWHJHXOF-UHFFFAOYSA-N 367.236 2.895 0 50 FFAA COc1ccc(F)c(CN2CCC(N3CCC(O)CC3)CC2)c1Cl 65393476 KHCFWIYEMCAKPW-UHFFFAOYSA-N 356.869 2.909 0 50 FFAA CCCc1cnc(C)nc1N1CCN(Cc2ccc(C(=O)O)cc2)CC1 65459687 YNASUJBEUCWYSJ-UHFFFAOYSA-N 354.454 2.758 0 50 FFAA CC[C@@H](C(=O)N1CCC[C@@H](C)C1)N(c1cccc(C)c1)S(C)(=O)=O 67623082 LXNQXDUFOVVOJJ-WBVHZDCISA-N 352.500 2.798 0 50 FFAA CN(C)[C@H]1CCCN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC1 72169886 UGHMFNFMEHLURI-AWEZNQCLSA-N 371.506 2.744 0 50 FFAA OCCOc1ccccc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1 72410633 GJIOWSDSWMNLIN-JOCHJYFZSA-N 366.505 2.733 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cncnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72168548 BOKUJHJHZCHWES-PWRODBHTSA-N 362.477 2.796 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3CCN3CCOCC3)c2c1 77387734 UDNUOESXQAQLKL-INIZCTEOSA-N 356.470 2.588 0 50 FFAA CN(Cc1cnc2ncccn12)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328649799 VCXQOKNSKHLHEG-GJZGRUSLSA-N 359.474 2.835 0 50 FFAA CC(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2NS(C)(=O)=O)C1(C)C 332484814 VXDHSAITLQXOKN-LSDHHAIUSA-N 372.462 2.519 0 50 FFAA CC(C)N1C[C@H](C)[C@@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 155362779 YRHCADKNYGSEBC-YJBOKZPZSA-N 359.514 2.807 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)NC3CCC(C(=O)O)CC3)cc2)C[C@@H](C)O1 237415575 BGOMWBUOUBRHSJ-QAQJPARQSA-N 374.481 2.669 0 50 FFAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 173024495 WFHGCUZXQDBDDF-YCRPNKLZSA-N 368.481 2.848 0 50 FFAA CO[C@@H]1C[C@@H](CC(=O)O)N(C(=O)COc2ccccc2-c2ccccc2)C1 263163411 VQLDLUGLOHVUPD-DLBZAZTESA-N 369.417 2.823 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@@H]2C=C(C)c3cc(C)ccc3N21 137290120 NNERDYKOTGZKJU-WJFTUGDTSA-N 366.461 2.958 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)Cn1c(C)cc(=O)c2ccccc21 219989116 BVDFGEJJTZROIF-UHFFFAOYSA-N 365.433 2.647 0 50 FFAA CCC(=O)N1CC(=O)N(c2cccc(OC)c2)C[C@@H]1Cc1ccccc1 82137238 KJKPRHOJNHBFKK-SFHVURJKSA-N 352.434 2.892 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1Cc2ccccc2[C@H](O)C1 82096979 BQALZKDNNSHQOG-MRXNPFEDSA-N 359.809 2.730 0 50 FFAA CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C(=O)O)ccn2)cc1 426550366 FXAZCHDNXGPEHD-KRWDZBQOSA-N 353.422 2.661 0 50 FFAA O=C(c1ccncc1C(F)(F)F)N1CC[C@@](CO)(c2ccccc2)C1 291186400 LBQJUNGZRWLXDN-QGZVFWFLSA-N 350.340 2.877 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1C 426428122 QOMMZAYNUKKUQX-UHFFFAOYSA-N 368.477 2.857 0 50 FFAA CC1(C)SC[C@H](C(=O)NCCc2cccc(Cl)c2Cl)NC1=O 97619340 KTOKHIKZABMGQQ-LLVKDONJSA-N 361.294 2.662 0 50 FFAA CCc1ccccc1OC1CN(C(=O)[C@H]2CCN(c3ccccc3)C2=O)C1 95515265 FWKHAAMVASXTOA-LJQANCHMSA-N 364.445 2.892 0 50 FFAA COCc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cn1 91468408 COTPTPLFPACVQP-AZUAARDMSA-N 352.482 2.719 0 50 FFAA CC[C@H](C)n1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccnc3)nc21 20615428 GLAQJHYFJVBALO-VIFPVBQESA-N 356.407 2.811 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ccncc1F)C2 96161119 DRWSYZTVUXUQAR-HLIPFELVSA-N 363.477 2.565 0 50 FFAA CC(C)c1cc(C(=O)NCc2cccc(N3CCCC3)c2)nc2ncnn12 92107109 ZNJONBPNLFQPRX-UHFFFAOYSA-N 364.453 2.778 0 50 FFAA Cc1cc(C)n([C@H](C)C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1 97155791 DOIXDHYTHBZUGG-QGZVFWFLSA-N 363.465 2.891 0 50 FFAA O=C(Nc1cc(F)cc(Cl)c1)N1CCC(N2CCC[C@@H](O)C2)CC1 97604183 RGOJVFIWQSNLCT-MRXNPFEDSA-N 355.841 2.932 0 50 FFAA Cc1ccc(CN2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)o1 95361522 XMBWWFBFMMKSEL-MRXNPFEDSA-N 354.458 2.649 0 50 FFAA CC(=O)N1CCCN(C(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)CC1 95499809 NSWFFDKMFRNTFE-UHFFFAOYSA-N 373.453 2.872 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)O)C1 237768086 LQMKGZSGWLPSKU-LLVKDONJSA-N 365.792 2.910 0 50 FFAA CN(CC(=O)N1CCCC[C@H]1CCn1ccnc1)Cc1ccccc1F 91616612 ZOTXKBKIKQFDNH-SFHVURJKSA-N 358.461 2.925 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]2C[C@@H](O)C2)cn1 244734283 NCRYPLBELKRTOQ-FHSNZYRGSA-N 362.376 2.919 0 50 FFAA CC[C@@H](C(=O)O)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 242498521 HKFWELCOJPNKEW-JTQLQIEISA-N 359.753 2.988 0 50 FFAA CCOc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@H](C(=O)O)C1 299747151 CDJVCIRWLPQQBS-AWEZNQCLSA-N 361.419 2.739 0 50 FFAA COc1ccc2oc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)nc2c1 534593321 BRKMIOOGFXWMLL-LBPRGKRZSA-N 355.398 2.649 0 50 FFAA O=C(Cc1ccsc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 263615071 AKSSISGJMAFJNC-UHFFFAOYSA-N 368.462 2.571 0 50 FFAA Cc1ccc2ncc(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)c(O)c2c1 299794805 LLOSREJADUTGNU-MRXNPFEDSA-N 369.465 2.622 0 50 FFAA CC(C)c1cc(NC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)n(C)n1 299756413 HXEUWFCMHDRVPH-ZDUSSCGKSA-N 359.430 2.563 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)c3cc(C(C)(C)C)nc(O)n3)nc2c1 299790630 BXCMLFPWDOFFOB-UHFFFAOYSA-N 353.426 2.637 0 50 FFAA CCn1cc(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)cn1 299778253 PCYFYVGACIGINC-FQEVSTJZSA-N 370.497 2.753 0 50 FFAA CCCCn1nc(C)cc1NC(=O)N1CCCN(C(=O)c2ccoc2)CC1 299776582 DGBKVBLYIWNCBK-UHFFFAOYSA-N 373.457 2.965 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@H](O)C1 670437128 OKLXDUZCKHODHE-AZRLCKCBSA-N 366.571 2.651 0 50 FFAA COc1ccc(CCN(C(=O)[C@H]2CNC(=O)C2)C2CCCCC2)cc1OC 952871939 HLHOHUNNVKQVQX-MRXNPFEDSA-N 374.481 2.544 0 50 FFAA Cc1nc(-c2cc(O)nc(-c3ccc(CN4CC[C@@H](O)C4)cc3)n2)cs1 85636435 SSDROTQXXLSNBS-OAHLLOKOSA-N 368.462 2.848 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1)[C@H]1CC(c2cc(F)ccc2F)=NO1 170625921 OOTVEQYBZLWMRD-FZKQIMNGSA-N 358.344 2.578 0 50 FFAA O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@H](c2cccc(F)c2)C1 170779878 RWVLDHAPLOPYBT-ZBFHGGJFSA-N 374.378 3.000 0 50 FFAA Cc1ccc(OCc2nc(CN3CCN(CCO)[C@H](C)C3)cs2)cc1 187685541 RBJOETVJTNZLMV-MRXNPFEDSA-N 361.511 2.529 0 50 FFAA Clc1ccc(-c2noc(CN3CCN(Cc4cocn4)CC3)n2)cc1 191924535 AUJJFYRFRYXJRD-UHFFFAOYSA-N 359.817 2.696 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1ccnn1C[C@H]1CCOC1)CC2 193692753 BOAPAYCOBGUKLW-OAHLLOKOSA-N 370.453 2.561 0 50 FFAA CN(C)CCc1nnc(NC(=O)c2ccc(-c3ccccc3)n2C)s1 1529179240 WKEOCYFFSLQOOW-UHFFFAOYSA-N 355.467 2.900 0 50 FFAA Cc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)n1 215366003 RWFCTDNUYIMTGB-MOPGFXCFSA-N 350.466 2.845 0 50 FFAA Cc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216428406 ZYAOILWFARMERB-MSOLQXFVSA-N 356.466 2.623 0 50 FFAA Cc1ccsc1[C@@H](CNc1ccc(C(=O)N2CCOCC2)cn1)N(C)C 1704355655 VZZJFIIGGKMREE-MRXNPFEDSA-N 374.510 2.639 0 50 FFAA Cc1c(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)[nH]c2ccc(F)cc12 1800409472 GRTCUZAYSDUFJA-AWEZNQCLSA-N 360.385 2.569 0 50 FFAA O=C(O)c1c(NCCCN2CCCC[C@@H]2CO)noc1-c1ccccc1 1704335754 FBRXTHDZHPCDSU-OAHLLOKOSA-N 359.426 2.689 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3cccc(Cl)c3Cl)C[C@@H]12 1704343037 ICYXWYJHDHTNLZ-RHSMWYFYSA-N 357.281 2.912 0 50 FFAA CCCc1ccc(OCCNc2nccc(N3CCC[C@@H](O)C3)n2)cc1 1704349950 IRGGGJVZDFGELT-QGZVFWFLSA-N 356.470 2.881 0 50 FFAA O=C(NC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 789475 WLZDTWQHMHQUAW-UHFFFAOYSA-N 370.902 2.800 0 50 FFAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NC[C@@H]1CCCO1 12073600 SWESOKROBPTULN-KRWDZBQOSA-N 357.454 2.863 0 50 FFAA COc1ccc(CC(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)cc1 12199236 XGMRJWXAFSRJKN-QFIPXVFZSA-N 370.493 2.879 0 50 FFAA O=C(c1coc(COc2ccc(F)cc2)n1)N1CCN(CC2CC2)CC1 12315353 FWMYCWWXJOXORU-UHFFFAOYSA-N 359.401 2.561 0 50 FFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@@H]2NS(C)(=O)=O 15066717 AESPEHIVQNUWDV-KRWDZBQOSA-N 374.510 2.676 0 50 FFAA Cc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1 19223275 AUBOHTZYZXHION-QFIPXVFZSA-N 359.558 2.736 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1OC 19360151 NXYLYKALAWPQCP-UHFFFAOYSA-N 370.449 2.750 0 50 FFAA Cc1cccc(N2C(=S)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4116911 XIHSAOMCFUQERN-DLBZAZTESA-N 358.488 2.772 0 50 FFAA COc1ccccc1CNC(=O)c1ccc2c(c1)N(C)[C@H]1CCCN1C2=O 169765718 QHVLOZDWUGMMGV-LJQANCHMSA-N 365.433 2.637 0 50 FFAA OCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169818661 NDGULXDPKJURTO-UHFFFAOYSA-N 366.536 2.556 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 2749278 KZTABLWIZXQULZ-JTQLQIEISA-N 354.332 2.534 0 50 FFAA COc1ccccc1-n1cc(C(=O)N[C@@H]2CCCc3c2c(C)nn3C)cn1 1857690462 DNXDLZUPTUTMLX-OAHLLOKOSA-N 365.437 2.730 0 50 FFAA COCCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696814 DPPDDFNZXHJSLV-LBPRGKRZSA-N 351.834 2.850 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCOc2ccc(CO)cc2C1 1857733915 FMVVWZSPMVHDRU-UHFFFAOYSA-N 363.417 2.912 0 50 FFAA C[C@@H]1N(C(=O)COc2cccc(Cl)c2)CCC[C@@]12CCCN(C)C2=O 1875241868 GIVLPCVDUGNFJR-LIRRHRJNSA-N 364.873 2.968 0 50 FFAA CCC[C@@]1(CO)CN(Cc2ccccc2-n2nc(C)cc2C)CC[C@H]1O 1875243612 OYMZUBCLQHRZMG-RTWAWAEBSA-N 357.498 2.835 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)C1 363385660 CBNFKYONAWUPPH-OLZOCXBDSA-N 367.852 2.803 0 50 FFAA C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC2(CCOCC2)O1 791073543 NJXRCNZOKYHAQY-LBPRGKRZSA-N 367.829 2.521 0 50 FFAA O=C(CCC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)NC1CCCC1 161634672 YICUGDOEEPCNEC-NRFANRHFSA-N 356.466 2.526 0 50 FFAA O=C(CCc1cc(F)ccc1F)NCc1ccnc(O[C@@H]2CCOC2)c1 163058364 GKCHSWLVBNZZIF-MRXNPFEDSA-N 362.376 2.777 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)CC[C@@H]1O 1704313286 KANAMNVPTLRNCE-OALUTQOASA-N 353.418 2.503 0 50 FFAA CCc1nnc([C@H]2CCCN(c3ncncc3Br)[C@H]2C)o1 952886980 FYYRJTSYGUBUJV-UWVGGRQHSA-N 352.236 2.957 0 50 FFAA C[C@H](NC(=O)NCc1ccc(-c2cc[nH]n2)cc1)[C@H](O)Cc1ccccc1 1875264517 IIJHFCLHQHMTNE-MGPUTAFESA-N 364.449 2.868 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@H]2C)CC1 1875370518 RSJSKXMNRHAWIW-GOSISDBHSA-N 369.509 2.765 0 50 FFAA Cc1nc(Cc2ccccn2)sc1C(=O)N[C@@H]1CCc2c(n[nH]c2C)C1 1875313184 XVBBRWMBIKWSBL-CQSZACIVSA-N 367.478 2.756 0 50 FFAA O=C(Cc1cc(C(F)(F)F)co1)N1CC[C@@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875400904 CBDFBUCPJHAPGN-WCQYABFASA-N 370.331 2.664 0 50 FFAA O=C(O)c1cccnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 888094251 BLLRGLSZNXYKLU-BFUOFWGJSA-N 354.410 2.673 0 50 FFAA O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc2c(cn1)OCCC2 1320110441 VDYDGTCSOVIKAS-SFHVURJKSA-N 351.450 2.801 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(O)c2Br)CC1 2325885449 VIUZZFDPKGSKID-UHFFFAOYSA-N 353.216 2.518 0 50 FFAA CC(C)Cn1c(=O)n(Cc2ccc(Cl)nc2)c2cc(C(=O)O)cnc21 55575996 OJMDEOHIDRWTAH-UHFFFAOYSA-N 360.801 2.649 0 50 FFAA O=C(CC(=O)NC12CC3CC(CC(C3)C1)C2)NCCOc1ccccc1 55211961 UIXDXQAULJDRFI-UHFFFAOYSA-N 356.466 2.657 0 50 FFAA OCC[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1CC1CCCCC1 106944137 YFBIMPWYBCLZIJ-HNNXBMFYSA-N 372.435 2.949 0 50 FFAA CCc1cc(N2CCN(Cc3ccc4c(C)cc(=O)oc4c3)CC2)ncn1 65382519 JMWRIOKXKWQUBX-UHFFFAOYSA-N 364.449 2.776 0 50 FFAA O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1N1CCOCC1 61131476 KRLJLNKCKIVMDK-LJQANCHMSA-N 369.465 2.683 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)C1 247941712 NHAODHSUILKMQI-UWJYYQICSA-N 371.525 2.793 0 50 FFAA COc1ncc(C(=O)N2CCc3[nH]nc(CCC4CCCC4)c3C2)cn1 20775777 UZVHBGMJGMMXKG-UHFFFAOYSA-N 355.442 2.530 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCN(C(C)C)[C@@H](CCO)C3)c2)n1 20600304 LGKYVKJUBPRICP-NRFANRHFSA-N 356.514 2.766 0 50 FFAA Cc1ccnc(-n2nc(-c3ccccc3)nc2-c2nc3ncccn3n2)c1 65410537 HSCYVKTXIUZCQE-UHFFFAOYSA-N 354.377 2.742 0 50 FFAA COCCc1nsc(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n1 426899787 YMAPSHWQVJNKNQ-UHFFFAOYSA-N 370.482 2.896 0 50 FFAA CCN(CC)Cc1cc([C@H]2CC(=O)NCc3nc(N)sc32)ccc1OC 65529450 OOBQFUILRJQDEM-CQSZACIVSA-N 374.510 2.728 0 50 FFAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(c2cc(NCCO)ncn2)C1 71779948 ZTLLXQRBRAAFCM-AWEZNQCLSA-N 360.845 2.634 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cnn5cccnc45)C3)nc12 77437424 MVYJRRHEJXZZQC-AWEZNQCLSA-N 360.421 2.934 0 50 FFAA c1cc(OCCN2CCOCC2)ccc1CN1CCCC2(CCOCC2)C1 216308397 AZRJBTZYFYLAMJ-UHFFFAOYSA-N 374.525 2.790 0 50 FFAA COc1cccc(C(N)=O)c1OCc1ccn(-c2c(F)cccc2F)n1 154171609 UPNVSXASIUXEFV-UHFFFAOYSA-N 359.332 2.837 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 172493584 MRTWIJZHBBBRHR-ZDUSSCGKSA-N 368.364 2.579 0 50 FFAA Cc1nc(CN2CCC(CN[C@@H]3CCCc4nn(C)cc43)CC2)oc1C 366418757 OUIUHJOJOMCFQO-GOSISDBHSA-N 357.502 2.904 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 262733992 FXBVZGASKKUORA-NXEZZACHSA-N 354.369 2.592 0 50 FFAA Cc1cn(CCn2ccnc2-c2sc(N3CCCC3)nc2Cl)nn1 77487512 SRZVAVMPEBBEEL-UHFFFAOYSA-N 363.878 2.860 0 50 FFAA C[C@@H](C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1)N1CCOCC1 72469749 JYUPLOCUGNUPCO-SFHVURJKSA-N 354.498 2.805 0 50 FFAA O=C(CCc1cc2n(n1)CCNC2)N1CC[C@@H](c2ccccc2Cl)C1 72425983 VFJFFKDQGCHZNT-CQSZACIVSA-N 358.873 2.588 0 50 FFAA COc1nc2c(cc1CNC(=O)c1ccccc1)C(=O)N(C1CCCC1)C2 71752129 ULLBKTDZLJDBSQ-UHFFFAOYSA-N 365.433 2.919 0 50 FFAA Cc1cc(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)on1 219966607 ZZUXPTJDMNYUOT-UHFFFAOYSA-N 352.316 2.747 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1C 72428711 VPRKUCCHMJEJSC-UHFFFAOYSA-N 358.461 2.833 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)c3cnn(C)c3-n3cccc3)c2)n1C 378219241 SLCHWRMDFXLIHA-UHFFFAOYSA-N 361.409 2.567 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2=O 72411017 GQWLXFMTBFOYQS-JKSUJKDBSA-N 368.433 2.860 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)COC(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71736431 LVYKQMIZFFWJKQ-CEWLAPEOSA-N 358.482 2.509 0 50 FFAA Nc1nc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 41183162 MJFXJLDBVKXQIY-QPJJXVBHSA-N 356.495 2.516 0 50 FFAA COc1ccc(C2(CNC(=O)N(C)C[C@H]3COCCO3)CCCC2)cc1 426584553 BKXDAXTWZUHXMA-SFHVURJKSA-N 362.470 2.564 0 50 FFAA CC(C)Cn1cncc1CN1C(=O)C2(CCNCC2)Nc2ccccc21 82092894 QAPNCRORJNSGFQ-UHFFFAOYSA-N 353.470 2.620 0 50 FFAA O=C(CN1CCCCCCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 223918477 YKGVCAQNACGNKH-AJTFCVKESA-N 372.509 2.816 0 50 FFAA Cc1cc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)O)cc2)c(C)o1 223825649 MHBVKTDFOBOSIG-IAGOWNOFSA-N 359.378 2.561 0 50 FFAA COc1ccc([C@@H](O)C(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)cc1 222565244 QMAPFMHIFUEOGY-HXUWFJFHSA-N 367.449 2.971 0 50 FFAA CCc1cccc(C)c1N1C[C@H](C(=O)NCCc2cccnc2)CC1=O 220295469 JNBAKXKMBPCKMR-GOSISDBHSA-N 351.450 2.664 0 50 FFAA O=C1OCC2(CCN(C(=O)c3csc(Cc4ccccc4)n3)CC2)O1 82087785 NEIMCWAHIZCNIW-UHFFFAOYSA-N 358.419 2.876 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCN(CCSC)CC2)c(Cl)c1 96136611 YHICPKIPWOFHRE-UHFFFAOYSA-N 371.890 2.639 0 50 FFAA CCn1ccc2cc(CN3CCN(C)[C@]4(CCC(=O)N(C)CC4)C3)ccc21 95378058 GQDQZHOHLHDVLS-QFIPXVFZSA-N 368.525 2.790 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1scc3c1OCCO3)C2 95387011 QUCLQWYLCQCFGP-LLVKDONJSA-N 361.419 2.509 0 50 FFAA Cc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCCC3)CC2)c(F)c1 95377029 IIEGSEXFNOJZGG-GOSISDBHSA-N 362.445 2.984 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cnc(-c2cccnc2)nc1 95382298 HHOMLNKFOQZWAK-MRXNPFEDSA-N 373.460 2.715 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ncon2)C1)C1(c2ccc(Cl)cc2)CC1 95527261 AHMSHAAEJDDXCD-CQSZACIVSA-N 374.872 2.783 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)n1 95519234 UBAIALJCYCCGIT-MRXNPFEDSA-N 357.462 2.660 0 50 FFAA CCCN1C(=O)N[C@@H](CC(=O)N(Cc2ccc(C)cc2)C2CCCC2)C1=O 244852690 UWTNVTHBGXZIBF-SFHVURJKSA-N 371.481 2.987 0 50 FFAA C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(-n2cncn2)cc1 182887458 QVASXQNWVUULLU-HNNXBMFYSA-N 350.426 2.672 0 50 FFAA Cc1nc[nH]c1CSCCNc1nc(-c2ccncc2)nc2c1CNC2 72124181 JVZVEKCBUWGZJT-UHFFFAOYSA-N 367.482 2.519 0 50 FFAA Cc1cc2c(NC(=O)NCCc3nc(C)c4c(n3)CCC4)cccc2nn1 299781628 XGJOKBKQIFNTKT-UHFFFAOYSA-N 362.437 2.890 0 50 FFAA C[C@H]1CN(C(=O)c2cccc(-c3cc(N4CCCC4)cnn3)c2)C[C@@H](C)O1 299769348 WVLWKXNSIBOTOZ-IYBDPMFKSA-N 366.465 2.993 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@H](C)[C@@H](O)c1ccc(O)cc1 828035319 VFLPMYKSAZMJAM-ZUOKHONESA-N 353.422 2.679 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H]1CCCN(Cc2cccs2)C1 670448150 JPQCEDKPIRDIDA-HNNXBMFYSA-N 374.510 2.574 0 50 FFAA CCCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(C)C)cc1Cl 952991052 ZJUQSHZVWWYEFI-OAHLLOKOSA-N 367.877 2.666 0 50 FFAA CCn1nc(C)cc1C(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 952975167 SFKNIYXNHMIHRF-SFHVURJKSA-N 357.454 2.912 0 50 FFAA C[C@@]1(C(=O)NS(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1F 408500758 PHQLQQLSNLPTSS-GZMMTYOYSA-N 370.627 2.656 0 50 FFAA O=C(CCN1CCCS1(=O)=O)N(Cc1ccccc1)C1CCCCC1 195028759 MDERONUSVBABOC-UHFFFAOYSA-N 364.511 2.774 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC3(CCN(C)CC3)C2)c(Cl)cc1F 1506405281 ATHNFKPGSSDPMB-UHFFFAOYSA-N 360.882 2.894 0 50 FFAA COc1ccc(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1OC 1529172045 DVBZVWJWCUWAEA-USTZCAOPSA-N 360.498 2.824 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)no1 210235420 JJODFKAAKHPIQX-HIFRSBDPSA-N 358.394 2.517 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 1704344076 NTYCIBIQIQQEBT-LJQANCHMSA-N 358.438 2.641 0 50 FFAA CSc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)cc1 11662724 UEGXTMAPBRLPQM-MRXNPFEDSA-N 369.490 2.859 0 50 FFAA c1ccc(-n2nnnc2Oc2cccc(CNC[C@@H]3CCCO3)c2)cc1 13717641 NKFTVGSCQYQMQA-SFHVURJKSA-N 351.410 2.723 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 15068139 VTZPUZPFXGKHTG-KRWDZBQOSA-N 358.482 2.925 0 50 FFAA Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 16649347 VCNLSTUAIQEWGQ-UHFFFAOYSA-N 364.449 2.966 0 50 FFAA CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Cl)CC1 5205363 SBQVEHZQVIAQAW-UHFFFAOYSA-N 357.841 2.980 0 50 FFAA CC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1 2941606 YMBFWXOFQQHRGT-IBGZPJMESA-N 368.433 2.962 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)cc1 5400073 GHGPHHJJHMUYHT-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@]23CC[C@H]1O3)C1CCC1 1857723591 MOZOKOUDEQPSCA-QEUVDIPISA-N 358.457 2.721 0 50 FFAA CC(C)(O)CCn1ccnc1-c1ccc(OCCCN2CCOCC2)cc1 1857728754 CACIKNZACAKBQD-UHFFFAOYSA-N 373.497 2.812 0 50 FFAA C/C=C/CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccoc3)[C@H]3CC[C@]2(C1)O3 1857732917 MYFJTJVYTPQJJO-LXHQRSRJSA-N 372.465 2.762 0 50 FFAA CN1CCCC(C)(C)[C@H]1CNC(=O)CCc1nnc(-c2ccccc2)o1 225731536 GHJLUYDULUZDMY-MRXNPFEDSA-N 356.470 2.906 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c2ccccc2n1C 328875787 ZOBGTSAXLDZQNM-MOPGFXCFSA-N 360.479 2.819 0 50 FFAA O=C(c1ncncc1Cl)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 332369717 WMURSSYTGRAKOH-QMMMGPOBSA-N 359.739 2.892 0 50 FFAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237159848 ISOKCXGKPFJQHS-JTQLQIEISA-N 356.797 2.731 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]([C@H](C)N)C3)n2)cc1F 237484450 AFNDFCJZJMIAQC-DZGCQCFKSA-N 360.433 2.703 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2cnc(N(C)C)s2)C[C@@H]1C(=O)O 248129874 PZUBLJFEJVNBEK-CABCVRRESA-N 361.467 2.518 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1F)C2 251996416 KUJLAXMHVZKXQJ-CABCVRRESA-N 371.412 2.694 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 156485836 MNHVMPKJTVEHIP-SFHVURJKSA-N 361.401 2.917 0 50 FFAA Cc1cc(NCCN[C@H](C)c2cnc3ccsc3c2)n2ncnc2n1 1875256247 NDUVSZZGKFQGLQ-GFCCVEGCSA-N 353.455 2.805 0 50 FFAA Cc1cc(O)nc2ccc(NC(=O)N3CC[C@H](c4nccc(O)n4)C3)cc12 1875353381 QQJZHERHYFLPTN-LBPRGKRZSA-N 365.393 2.766 0 50 FFAA CCC1(CC)CC(NC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 1875319709 OPXITPPPWQEAFX-IBGZPJMESA-N 372.469 2.509 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3-c3ncc[nH]3)n[nH]c21 1875394949 COBVLQBNRKSZFP-NEPJUHHUSA-N 351.410 2.752 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 1875371255 VDXDNYVWESIFGG-YJBOKZPZSA-N 356.466 2.824 0 50 FFAA CC1(C(=O)NC[C@H]2CCN(c3ncc(F)cn3)CCC2(F)F)CCC1 1875408378 UWRGTDGXWQWTRE-GFCCVEGCSA-N 356.392 2.774 0 50 FFAA O=C(O)c1ccc(OCc2nnnn2-c2cccc(C(F)(F)F)c2)cc1 12428914 ZROAGYPJHFMLIB-UHFFFAOYSA-N 364.283 2.958 0 50 FFAA COC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1 11690182 ONFLCYVWYGXUHG-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA Cn1cc(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)CC2)cn1 2325734713 ZFQCSUMAFWFMHN-IBGZPJMESA-N 372.513 2.697 0 50 FFAA CCn1ncc2c1CC[C@@H](NC(=O)Nc1ccc(Cn3ccnc3)cc1)C2 2325789740 JTIXIDQJMAHHGS-GOSISDBHSA-N 364.453 2.827 0 50 FFAA Fc1cccc(-c2nc(CSc3nncn3C3CCNCC3)no2)c1 2325792704 GLQAMUVNIPMPBF-UHFFFAOYSA-N 360.418 2.684 0 50 FFAA O=C(N[C@@H]1CCNc2cc(F)ccc21)c1nnn(C2CC2)c1C(F)F 2325809063 AXCVVVYIZAASCJ-LLVKDONJSA-N 351.332 2.976 0 50 FFAA O[C@@]1(CN2CCCCC2)CCN(Cc2cnn(-c3ccccc3Cl)c2)C1 77539380 JTFQKMTVOPWHCV-HXUWFJFHSA-N 374.916 2.948 0 50 FFAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 1088676 JEBKMUZVRUKVCO-SNVBAGLBSA-N 366.266 2.957 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(F)ccc2F)C1=O 2356149236 PZSUMQVIBVYYDV-KRWDZBQOSA-N 372.437 2.521 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnc3c(c2)CCCC3)C1=O 2356149815 WDPZKRQENDPNQD-NRFANRHFSA-N 355.482 2.968 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@@H](NC)C2)ccc1OCc1cccnc1 133287549 HWZSRFQSMANHTC-GOSISDBHSA-N 369.465 2.883 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCC1 4746307 NXICJYYWFDHZOD-HXUWFJFHSA-N 355.526 2.985 0 50 FFAA O=C(Nc1cccc(C(=O)O)c1)/C(=C\c1ccco1)NC(=O)c1ccco1 4976736 UCCLXTPHXIPPIS-RVDMUPIBSA-N 366.329 2.980 0 50 FFAA CCCCN1C[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1=O 7452884 FWFSAJDLAQXMSC-SFHVURJKSA-N 357.498 2.601 0 50 FFAA COc1ccc([C@H](CO)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 225494005 RGSGCULMMZWKKN-KRWDZBQOSA-N 352.475 2.917 0 50 FFAA COc1c(O)cccc1C1=NN(S(C)(=O)=O)[C@@H](c2ccc(C)cc2)C1 225495462 AYRCORAXIVCEME-MRXNPFEDSA-N 360.435 2.820 0 50 FFAA COc1cccc(CN2CCC[C@@H]2c2nonc2C)c1OCCN(C)C 55568940 OIXHCJDDQJRHFO-MRXNPFEDSA-N 360.458 2.664 0 50 FFAA Cc1ccc(C(=O)NCCCOc2cccnc2)cc1NC(=O)C1CC1 55166424 HPNFUNBZNQGYPZ-UHFFFAOYSA-N 353.422 2.937 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCOCC2)cc1 57834915 YPFVSTIWVKBIJX-SFHVURJKSA-N 368.477 2.911 0 50 FFAA O=C(Cc1ccncc1)N(CCO)CCSc1ccc(Cl)cc1 55244834 ADWYZMCXFGMULW-UHFFFAOYSA-N 350.871 2.891 0 50 FFAA C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C(=O)O 136510964 IKJKPUGGCUVLLS-MFKMUULPSA-N 356.216 2.682 0 50 FFAA Cc1nc(NCCNC(=O)Nc2cccc(F)c2C)cc(-n2cccn2)n1 65364692 GTDSPIKNSIWKSC-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCN(CCOc1ccc(F)cc1)C(=O)Cn1nc(C)c(C(C)=O)c1C 65383304 TZMPDOSJIPIRAF-UHFFFAOYSA-N 361.417 2.769 0 50 FFAA O=C(C1CCN(C(=O)[C@H]2CCc3ccccc3O2)CC1)N1CCCCC1 77516882 GZJQHBKSNIBQOG-LJQANCHMSA-N 356.466 2.631 0 50 FFAA OC[C@@]1(O)CCCN(Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 72162688 QORFQXWKNVXJFD-MRXNPFEDSA-N 372.343 2.559 0 50 FFAA C[C@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)sc2C1 331746679 DAONYQJTKKGCEU-IUCAKERBSA-N 361.389 2.617 0 50 FFAA CCN(CC)CCNC(=O)NC(=O)C(c1ccccc1)c1ccccc1 71767252 GWRGVJWPJVFPPA-UHFFFAOYSA-N 353.466 2.986 0 50 FFAA Cc1c([C@H]2[C@H](CNCc3cccc4cc[nH]c34)CC(=O)N2C)cnn1C 328618107 DJMUSQKKSIUYEQ-OXJNMPFZSA-N 351.454 2.519 0 50 FFAA COc1cccc(CCCN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c1 328650234 VKPFJGQYJRKBML-KRWDZBQOSA-N 370.453 2.740 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 328648406 ULWDWGXAAQVZBV-AABGKKOBSA-N 354.498 2.987 0 50 FFAA O=C(Nc1ccccc1F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528328 ONBQZTPPDKTGOH-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](n2cc(C(=O)O)cn2)C1 153230446 ACNZSOQUDRAGFD-GUYCJALGSA-N 359.401 2.763 0 50 FFAA CCn1nc(C)cc1C(=O)N1CC[C@]2(CCCN(CC(C)(C)C)C2=O)C1 12584568 SWHHERPKZQADIK-HXUWFJFHSA-N 360.502 2.712 0 50 FFAA CC1(C)CN(S(=O)(=O)c2cccc3cnccc23)C[C@@H](C(F)(F)F)O1 332189038 CCWDKQCBMHJWLB-AWEZNQCLSA-N 374.384 2.965 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)cs1 77406582 DZGFDKLHWGDLTP-UHFFFAOYSA-N 370.474 2.985 0 50 FFAA O=C(c1cncc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1)N1CCCC1 71776507 IOCDLMCKHIOBCP-KRWDZBQOSA-N 372.856 2.944 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1=O 72479565 TYASTPHHADTLMY-HNNXBMFYSA-N 350.422 2.764 0 50 FFAA CCc1nccn1CC(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77419412 BEXHXNNRNBKLOO-OAQYLSRUSA-N 374.529 2.723 0 50 FFAA CCOC(=O)CCNC(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72151716 UNAJDSUSKPRWEI-HNNXBMFYSA-N 362.405 2.892 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cccnc3N)C2)cc1OC 71638775 ZLLYUTFCDBISET-HNNXBMFYSA-N 355.438 2.776 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3csc(C(C)C)n3)CC2=O)c1 77323832 QBBPIESHVGBHQS-UHFFFAOYSA-N 373.478 2.760 0 50 FFAA COc1c(C)cnc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C 220554427 VPHCSKCFWYOEHA-LJQANCHMSA-N 356.470 2.753 0 50 FFAA CC(C)Cc1cn(C2CCN(C(=O)c3ccc4cccnc4n3)CC2)nn1 48368536 KZSDVJWVYBFANH-UHFFFAOYSA-N 364.453 2.897 0 50 FFAA O=C(NC[C@@H](O)CN1CCCCC1)c1cnc(-c2ccccc2F)s1 160348529 CGLAJOKAPVAZPU-CYBMUJFWSA-N 363.458 2.526 0 50 FFAA O=C1C[C@H](C(=O)N2CCC(OCc3cccnc3)CC2)c2ccccc2N1 82166920 VDVBMONFQBYKBO-SFHVURJKSA-N 365.433 2.715 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H](C)N4CCCC4=O)CC3)nc12 82083420 RXWXVRBCIPGDTP-CQSZACIVSA-N 354.454 2.588 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 426419656 BLTMDLJHLHCTCQ-ZDUSSCGKSA-N 354.406 2.679 0 50 FFAA CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1 426526822 FGEWMWJGFWBOOO-QGZVFWFLSA-N 366.465 2.857 0 50 FFAA C[C@H]1[C@H](C)CCN1C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 178606283 QGAMFACNNXCJMA-VKJFTORMSA-N 359.470 2.535 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccc(F)cc1)N1CC[C@@H](N2CCCCC2)C1 426358310 MDAUSJBMHJBEAJ-GOSISDBHSA-N 371.460 2.986 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3nccnc3OC)cc1)C2 426707204 LUMIYBWUQXAKEQ-UHFFFAOYSA-N 361.405 2.661 0 50 FFAA O=C(O)c1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)cc1 97572287 DBHIHUIARQSMIG-UHFFFAOYSA-N 352.434 2.994 0 50 FFAA Cc1cnc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cn1 91755957 AVLYWRMAVKMZOX-HXUWFJFHSA-N 356.470 2.572 0 50 FFAA Cc1ccc2ncnc(N[C@@H](C)C(=O)NCc3cn4ccsc4n3)c2c1 426503642 YVADUZXLGFAFJI-LBPRGKRZSA-N 366.450 2.764 0 50 FFAA Cc1cccc(N2C[C@H](NC(=O)Cn3ccnc3-c3ccccc3)CC2=O)c1 95503687 ZUEFKWQMXJRDNF-GOSISDBHSA-N 374.444 2.780 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 95527047 COQPJUHSFOGCNK-HNNXBMFYSA-N 366.339 2.849 0 50 FFAA O=C1CCCCN1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 91486926 QAIUWNVIUZVLCM-WOJBJXKFSA-N 369.509 2.512 0 50 FFAA O=C(Cc1c(F)cccc1Cl)NC[C@H]1CCCN(c2ncccn2)C1 94104062 FTHQJQGNSAWGIE-CYBMUJFWSA-N 362.836 2.844 0 50 FFAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239159529 MHACSZDDSGFEPR-KKOKHZNYSA-N 359.712 2.534 0 50 FFAA Cc1ccccc1-c1ncc(-c2cn(CCN3CCOCC3)nn2)s1 91933772 YNCVWRKETNVLBI-UHFFFAOYSA-N 355.467 2.709 0 50 FFAA C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(Cl)cc1)S(C)(=O)=O 239274849 ATDPBLHDRVMVRL-DVZHBHJUSA-N 370.902 2.799 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccc(O)cc2)[nH]n1 91694286 MHOVTNLHPPZIRE-KRWDZBQOSA-N 353.426 2.824 0 50 FFAA O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC(Cn2cccn2)CC1 95363084 JELJTDWYYWJKCJ-FQEVSTJZSA-N 352.482 2.903 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)C[C@H]4C=CS(=O)(=O)C4)CC3)nc12 91574723 UZYSDQJIJIHUAH-CQSZACIVSA-N 373.478 2.526 0 50 FFAA c1ccc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)nc1 91847344 QNCRAPBQLIEUDL-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA Nc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cn1 95382889 YRKSYIIHDAWUMF-MAUKXSAKSA-N 354.429 2.540 0 50 FFAA Cc1cc(F)ccc1NC(=O)CN1CCC([C@@H](O)c2ccccn2)CC1 244695619 JPKHBFHCSLQMCM-HXUWFJFHSA-N 357.429 2.913 0 50 FFAA Cc1cc(=O)cc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)o1 244734894 NNNTXMBMSNDWPF-NQYLQCIDSA-N 364.401 2.738 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C(F)(F)F 299740878 BXGYFWNWVLBTIZ-ZIAGYGMSSA-N 357.307 2.706 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NCc1noc(-c2cccs2)n1 534669858 KXCQNRRBMHOJLF-UHFFFAOYSA-N 360.443 2.653 0 50 FFAA COc1cccc(CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1OC 299781192 HNWMLIFPPAHIMG-GOSISDBHSA-N 360.429 2.805 0 50 FFAA COc1ncc(CN2CCC[C@H](CNC(=O)CC3CCCCC3)C2)cn1 824852012 NEJWBQVWVFECKN-QGZVFWFLSA-N 360.502 2.784 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccccc2)C1)N1CCOC2(CCCC2)C1 584887988 HRIKLMCSKWCIKE-SFHVURJKSA-N 371.481 2.646 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)N1CCC[C@@H](c2ccncn2)C1 584899557 PKIAGUNSTOIPMH-QGZVFWFLSA-N 352.438 2.891 0 50 FFAA O=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565514136 AEXIXJTWBDBJDZ-ROUUACIJSA-N 361.463 2.526 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C)c1 952871727 CPAIZUXHIYRRPL-AWEZNQCLSA-N 355.369 2.558 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)CC2 277537805 YCOBTZNKKOVUFW-QAPCUYQASA-N 371.458 2.760 0 50 FFAA Cc1nnc(NC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)s1 278761354 WJWZSHUWQDUEIZ-UHFFFAOYSA-N 356.455 2.524 0 50 FFAA Cc1csc(C(=O)N(C)c2cnn(C)c2)c1I 191754322 NZDFQZTZTOMWGX-UHFFFAOYSA-N 361.208 2.671 0 50 FFAA CCC(CC)(C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1)c1ccc(OC)c(OC)c1 192541539 YYRFAQJMWVGRNC-IYBDPMFKSA-N 360.498 2.782 0 50 FFAA C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc2cc(F)c(F)cc21 193035240 UIUBMFKRXLCUKD-GXFFZTMASA-N 350.369 2.719 0 50 FFAA COc1ccc(OC[C@@H](O)Cn2nc(C(F)(F)F)c3cnccc32)cc1 193005054 SZJUVNWNZDCFQU-NSHDSACASA-N 367.327 2.899 0 50 FFAA O=C1O[C@H]2CN(Cc3cccnc3)C[C@H]2N1CCCc1ccc(F)cc1 1614385534 NUUSULZFFUONNC-MOPGFXCFSA-N 355.413 2.859 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCC(O)(c2ccc(C)cn2)CC1 1506396387 FCIYWKGVEQIIMC-LJQANCHMSA-N 370.449 2.816 0 50 FFAA O=C(c1cccc2c1NCCC2)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506399713 PQRYAKOSVANSCR-FQEVSTJZSA-N 359.433 2.951 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4nc(C)[nH]c4c3)CC[C@@H]21 215429392 DYBWWHIVGABQLM-QAPCUYQASA-N 354.454 2.734 0 50 FFAA Cc1ccc(C(=O)N2CCC(Nc3ncc(F)c(N(C)C)n3)CC2)cc1 1529091890 RYIOVDGOGNZEFB-UHFFFAOYSA-N 357.433 2.707 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCC(N)CC2)cc1 1704314556 UTZSSMZGQHNQGM-UHFFFAOYSA-N 370.453 2.514 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)coc2c1 1704355569 RINYZJCZBALAIJ-CRAIPNDOSA-N 367.449 2.686 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)cc(OC)c1OC 1136059 LLZUGRNMDDKGBV-CYBMUJFWSA-N 354.790 2.500 0 50 FFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 1158042 VQFLBIZXFUWKSE-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA CSc1ccc(CN2CCCN(C(=O)[C@H]3CCCCN3C)CC2)cc1 1775979113 FPBKXERKLASJDZ-LJQANCHMSA-N 361.555 2.927 0 50 FFAA Cc1cc2occ(CC(=O)N3CCC([C@H](O)CO)CC3)c2cc1Cl 1772712661 VTPZQWDAIMASEI-MRXNPFEDSA-N 351.830 2.529 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)Cn1cccn1 11840366 PXIDNZUFNGPQSL-OAHLLOKOSA-N 356.474 2.629 0 50 FFAA COCCNCC[C@@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 14887865 OODITUBKAHTHFI-AWEZNQCLSA-N 360.376 2.702 0 50 FFAA CSc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)cc1 15078303 AMCFYBVEVQCKQX-KRWDZBQOSA-N 354.475 2.982 0 50 FFAA O=C(O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 5555178 AAMMHGXIMZVDDB-CYBMUJFWSA-N 370.224 2.553 0 50 FFAA Cc1cc(C)n(-c2cccc(-c3nccn3[C@@H]3CCS(=O)(=O)C3)c2)n1 1857690653 JNUMPSKTCHOANR-QGZVFWFLSA-N 356.451 2.712 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)[C@@]3(C)CC34CCNCC4)c2n1 1857707664 XXYWTXAINUMNOU-HXUWFJFHSA-N 353.466 2.818 0 50 FFAA Cc1cc(Br)cc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 121178430 UIJBFBUCAQLJPY-ZDUSSCGKSA-N 366.215 2.663 0 50 FFAA CCC[C@H]1COC[C@H]2CN(c3nccc(-c4ccc(C)nc4C)n3)CCN12 1875240766 ZCOBLDMCEGXMOD-ZWKOTPCHSA-N 367.497 2.845 0 50 FFAA O=C(c1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 216771207 BBSDEYLTQTWHEL-CJNGLKHVSA-N 371.387 2.623 0 50 FFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 328864690 NBCNBOHUSRSVNS-QWRGUYRKSA-N 367.375 2.663 0 50 FFAA Cc1ccn2cc(CN3C[C@@H]4CC[C@H](C3)C(=O)N4CC3CCC3)nc2c1 248337852 QLMXOHLHYXMLEX-MJGOQNOKSA-N 352.482 2.866 0 50 FFAA C[C@@H]1CN(C(=O)NCCc2cc3ccccc3[nH]2)CCN1CC(F)(F)F 135844763 WFPZSWJSKMTJEO-CYBMUJFWSA-N 368.403 2.988 0 50 FFAA O=C(Nc1nnc2n1CCCC2)c1cnn(Cc2ccccc2Cl)c1 162735779 MJMRPNOUOVNEDB-UHFFFAOYSA-N 356.817 2.765 0 50 FFAA O=C(N[C@@H]1c2ccccc2OC[C@H]1F)[C@H]1CSC(c2ccccc2O)=N1 928069914 HOFJUCNSFBHUTE-CKEIUWERSA-N 372.421 2.842 0 50 FFAA C[C@H](C(=O)NC[C@H](O)c1ccc(F)cc1F)n1ccc(C(F)(F)F)n1 1875269496 INFMZHMVSDTRCQ-PELKAZGASA-N 363.286 2.591 0 50 FFAA COc1ccc(CN)cc1C(=O)N1CCN(c2cccc3[nH]ccc23)CC1 1875292210 ACTFRSXZYZIDHM-UHFFFAOYSA-N 364.449 2.598 0 50 FFAA CCC(=O)N[C@H](C(=O)N1CCC2(CCC[C@H]2CN)CC1)c1ccccc1 1875277940 OSQJZWVGLARSOS-HKUYNNGSSA-N 357.498 2.622 0 50 FFAA O=C(CCCn1ccc2cc(Cl)ccc21)N[C@H]1CCO[C@H](C(=O)O)C1 1875272653 CYXQESOFSKDAAQ-HOCLYGCPSA-N 364.829 2.823 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOc3ccccc3[C@H]2C(F)F)CC1 1875381702 FDRVHQPGBAZQIA-KRWDZBQOSA-N 364.392 2.638 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1noc2c1CCCCC2 1875383022 COOCDRHQQVZWHO-VQIMIIECSA-N 365.433 2.642 0 50 FFAA O=C(N[C@@H]1CCC[C@H](OC(F)F)C1)c1cccc(N2CCOC2=O)c1 888092699 GIHODJVOIDBKTE-OCCSQVGLSA-N 354.353 2.923 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Cl)c2)NC(=O)N1 706379 MZQGFRTZYQDOMS-ZFWWWQNUSA-N 350.802 2.690 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCN(c4ccc(F)cc4F)CC3)nc21 2100482341 RVOHDXCFGQBXPV-UHFFFAOYSA-N 356.376 2.814 0 50 FFAA COc1c(C(=O)N[C@H]2C[C@H](CC(=O)O)C2(C)C)cnn1-c1ccccc1 2325812717 BMUKSCLCXIHKFX-DOMZBBRYSA-N 357.410 2.500 0 50 FFAA CO[C@@H](C(=O)NC1(CNC(=O)c2ccc(CF)cc2)CC1)c1ccccc1 2325829088 ZWYOZNZPIVJWJE-GOSISDBHSA-N 370.424 2.922 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)n2)cc1 102023539 VTOXSNWBJMKDDN-ONIAQPFYSA-N 351.406 2.701 0 50 FFAA CC(C)c1nc(O)ccc1-c1nc(C2CCOCC2)nn1-c1cnn(C)c1 2356147697 KKLCYNCEGIDKAQ-UHFFFAOYSA-N 368.441 2.786 0 50 FFAA O=C(NCCCn1ccc2ccccc21)[C@H]1CC(=O)N(C2CCCC2)C1 53657364 ZQHQSKBKTLFAGK-KRWDZBQOSA-N 353.466 2.939 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@H]1CCCO1)c1ccncc1 246372645 MHNFBCLGJHOPDL-GMBSWORKSA-N 354.406 2.822 0 50 FFAA Cc1c(F)cccc1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 421884433 FGCNDDWIVJIPLZ-UHFFFAOYSA-N 354.389 2.559 0 50 FFAA CC(C)(C)OC(=O)N1CCC(CCN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 225449344 MPASODSCSKTMKT-LJQANCHMSA-N 365.474 2.744 0 50 FFAA CC(C)c1nc2c(n1C)CCN(C(=O)C[C@@H](C)NC(=O)C1CCCC1)C2 112663800 KYZBTVMJYVQMGR-CQSZACIVSA-N 360.502 2.513 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)cc1 55462681 HATAYPNEKXQEMF-HOTGVXAUSA-N 352.500 2.580 0 50 FFAA Cn1cc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)cn1 134333306 LVXUHEHSAVNTAN-MRXNPFEDSA-N 355.269 2.583 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N3CC[C@H]3c3ccc(F)cc3)no2)CC1 67678031 CZFSDKASHPCJCU-IBGZPJMESA-N 372.444 2.538 0 50 FFAA Cn1cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 20733177 UIWKPBCGJKWYHT-UHFFFAOYSA-N 365.408 2.916 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccccc3OC(F)(F)C(F)F)CC2)CN1 65526430 RNSABBGLJUJSIX-UHFFFAOYSA-N 374.334 2.666 0 50 FFAA CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2nccn2CCOC)O1 65372310 RYIVZZDEFMEQFR-SQNIBIBYSA-N 357.454 2.958 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)[nH]n1 67757250 ZRVOWESBTTWMSJ-UHFFFAOYSA-N 370.501 2.946 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)N1CCN(Cc2ccccc2)CC1 409414411 QKHSMKYGBDCMIL-UHFFFAOYSA-N 367.493 2.728 0 50 FFAA CC1=NO[C@@](C)(C(=O)NCc2cccnc2N2CCc3ccccc3C2)C1 67678166 LWUQJRSOGNVMFI-OAQYLSRUSA-N 364.449 2.815 0 50 FFAA CCCn1ncc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1C 36385769 QQTQQWGMVUXTIO-JOCHJYFZSA-N 370.541 2.713 0 50 FFAA COc1cccc(CN2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2=O)c1 72120710 DGMBFCKNNCARGN-PZJWPPBQSA-N 371.525 2.604 0 50 FFAA CC[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 328589556 LJADEDROBJSJQO-UXJMZZSFSA-N 354.560 2.853 0 50 FFAA COc1c(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)nn1C 328631523 KNPWSVPNSLHJCA-GFCCVEGCSA-N 371.407 2.647 0 50 FFAA Cc1nnc(SCC(=O)N2CCCN(c3ccc(F)cc3)CC2)s1 219774452 BNGUPGDDWJSUEV-UHFFFAOYSA-N 366.487 2.817 0 50 FFAA COC(=O)c1cc(C)nc(N[C@H]2CCCN(Cc3cccc(OC)c3)C2)n1 72421995 QKMMVMPGQCYEGS-INIZCTEOSA-N 370.453 2.657 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(SCCO)cc1 72474717 MLYIRSPULAWAEX-LJQANCHMSA-N 370.518 2.900 0 50 FFAA O=C(NC[C@@H](O)c1ccsc1)c1ccccc1COC1CCOCC1 127194406 MBZVWEYFPMXFAM-GOSISDBHSA-N 361.463 2.907 0 50 FFAA COc1ccc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1C 72447295 NOWFVPDIPGFWFK-KRWDZBQOSA-N 357.502 2.573 0 50 FFAA Cc1cc(CNC(=O)c2cc3c(C)c(C)ccc3[nH]2)ccc1S(N)(=O)=O 446718688 JFEDYXCWOYZHTQ-UHFFFAOYSA-N 371.462 2.671 0 50 FFAA CC(C)=CCN1CCN(Cc2c(C)cccc2C)[C@H]2CS(=O)(=O)C[C@H]21 72475788 LDBDRJXRGTYWHY-UXHICEINSA-N 362.539 2.553 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 237425766 JAQZHGORXSIPGD-DGCLKSJQSA-N 352.360 2.843 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(O)nc2cc(F)ccc12 262342569 GHMIKGPMGGVJMS-VFVAKGGASA-N 358.369 2.937 0 50 FFAA CN(C)C(=O)c1ccc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 72410816 OROQSDVXZOEEJT-LJQANCHMSA-N 364.493 2.827 0 50 FFAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 453017002 YEQPHXIPOSDYAL-KSTCHIGDSA-N 355.887 2.893 0 50 FFAA O=C(c1cc(F)cc2cccnc12)N1CCC[C@H](CN2CCOCC2)C1 131905239 XNPDNTRLKUGURX-OAHLLOKOSA-N 357.429 2.558 0 50 FFAA O=C(NCc1nc(-c2ncccn2)no1)c1csc(-c2cccs2)n1 82134499 ZEPFYCIMVPPOMP-UHFFFAOYSA-N 370.419 2.642 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc12 174501881 AHOLPNGXBGIWHG-NSHDSACASA-N 362.499 2.887 0 50 FFAA CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1 48315014 HIEANZAFUTZACS-KXBFYZLASA-N 361.534 2.938 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cccc(-c4cnn(C)c4N)c3)C2)n1 426497070 XCFWGNPDPAPSPF-QGZVFWFLSA-N 364.453 2.570 0 50 FFAA CCC[C@@H](NC(=O)N1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 426492752 FYRWBCHWOWYJGP-GOSISDBHSA-N 372.513 2.524 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 426504454 GWTSYNNNANWIKK-SFHVURJKSA-N 366.469 2.980 0 50 FFAA O=C(c1ccc(-c2nccc(N3CC[C@H](O)C3)n2)cc1)N1CCCCCC1 426493900 CBUIBJJNCLWBGH-SFHVURJKSA-N 366.465 2.731 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)Cn1c(=O)ccc2ccccc21 95505023 MSNQSPDYEPOOEV-UHFFFAOYSA-N 372.428 2.846 0 50 FFAA O=c1c2ccccc2c(-c2ccccc2)nn1Cc1nc([C@H]2CCOC2)no1 96137362 ZIGHYCZSQCFBAR-HNNXBMFYSA-N 374.400 2.999 0 50 FFAA CCC[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91943111 JSNKIMQANCEQKZ-MRXNPFEDSA-N 360.502 2.620 0 50 FFAA COc1ccnc(CN2CCC3(CC2)CC(=O)N(CC=C(C)C)C3)c1OC 91424829 SQNNBEZQYKBABE-UHFFFAOYSA-N 373.497 2.880 0 50 FFAA NC(=O)Cc1nc([C@@H]2CCc3ccccc3O2)n(CCc2ccccc2)n1 96180327 PYAVRSHZHAFRAO-SFHVURJKSA-N 362.433 2.615 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)Nc2cncc(F)c2)o1 96162332 VIJRBZIAWDNXMA-UHFFFAOYSA-N 352.435 2.930 0 50 FFAA Cc1c(CN2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cnn1C 91645526 CTIDKZDWXGJEMF-OAQYLSRUSA-N 367.497 2.528 0 50 FFAA Cc1nccn1C[C@H](C)CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 178803955 IULFNZKAEYDGBM-IERDGZPVSA-N 368.481 2.711 0 50 FFAA CN(CCCNC(=O)c1cnc(-c2ccccn2)nc1O)c1ccccc1 92062047 JDLMRQWAOYVNQC-UHFFFAOYSA-N 363.421 2.501 0 50 FFAA CCN(C)C(=O)c1ccc(N2CC[C@@H](Cc3ccc(CO)cc3)C2)nc1 91973734 BJBGAIAYLMGLQJ-SFHVURJKSA-N 353.466 2.735 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 97492416 ONXSCMTYDLGGLP-AWEZNQCLSA-N 371.441 2.715 0 50 FFAA CCCOC[C@@H]1CCN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)C1 91563266 JDVUSNFZWHBAIF-OAHLLOKOSA-N 355.438 2.634 0 50 FFAA Cc1csc([C@@H](C)N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 97370321 SEPHNHIFNWKARQ-GFCCVEGCSA-N 367.496 2.535 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 91707856 CETGOHVAZYOWPT-HXUWFJFHSA-N 371.437 2.810 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)[C@@H](c1cccnc1)N1CCCC1 95358500 VXQWTFMPUSQVEK-LJQANCHMSA-N 363.421 2.585 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 95386737 KGEJXQJEAICNFG-HNNXBMFYSA-N 356.470 2.529 0 50 FFAA CSc1ccc([C@@H](C(=O)O)N2CCN(C(=O)c3ccco3)CC2)cc1 95357302 PFXSSHFYKIARIB-INIZCTEOSA-N 360.435 2.585 0 50 FFAA CC1(C)CN(C(=O)Nc2nc3c(s2)COCC3)C[C@H](C(F)(F)F)O1 293414783 SIIFLTOXZKVBCN-SNVBAGLBSA-N 365.377 2.789 0 50 FFAA C[C@@H]1CCCN(CCC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1 97675218 KXTYYDLCRZBEMB-GOSISDBHSA-N 366.509 2.938 0 50 FFAA C[C@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1)CC2 91536959 HNNGFUQLTQFLCU-AWEZNQCLSA-N 352.425 2.550 0 50 FFAA Cc1cc(=O)cc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)o1 244734893 NNNTXMBMSNDWPF-CFLQYTFWSA-N 364.401 2.738 0 50 FFAA O=C(O[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@@H]6[C@H]8[C@H]9[C@H]([C@H]1[C@@H]4[C@@H]9[C@H]56)[C@@H]([C@H]87)[C@@H]32)C(F)(F)F 257358705 VWEHEQAELOIJAO-KRGSFYMYSA-N 372.386 2.688 0 50 FFAA Cc1noc([C@@H]2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)C2)n1 299781049 QSSHVGLIOVJXRT-MRXNPFEDSA-N 365.437 2.739 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(OCc2ccccn2)CC1 827913426 HHFLZBZHOVYWIZ-UHFFFAOYSA-N 356.470 2.572 0 50 FFAA COc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1C(=O)N(C)C 952988908 AHDLECCOUBVVIH-UHFFFAOYSA-N 352.394 2.536 0 50 FFAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)c2ccccc21 1565515023 ZEAGSDHIHUQPCC-CVEARBPZSA-N 361.449 2.709 0 50 FFAA Cc1ccc(F)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 952990655 ZURIVJNPZUJMKI-UHFFFAOYSA-N 351.447 2.838 0 50 FFAA Cn1cccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1=O 276461811 WQXJSMNLZLIUFZ-LBPRGKRZSA-N 366.248 2.701 0 50 FFAA COCc1noc(CN2CCc3c(Br)cc(C)cc3C2)n1 189231954 IAUITTZWSOAVCK-UHFFFAOYSA-N 352.232 2.845 0 50 FFAA CO[C@H](C)CCC(=O)N[C@@H](CC(=O)O)c1ccc(Br)cc1 190686558 GKLFIKVUNWCGCI-MFKMUULPSA-N 358.232 2.896 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 193080187 DKNSUPUFTSIUQF-CYBMUJFWSA-N 370.844 2.878 0 50 FFAA O=C(Nc1cccnc1N1CCOCC1)N1CC[C@@H](c2ccccc2)C1 194742794 JORKHEYMZINGDI-QGZVFWFLSA-N 352.438 2.940 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615733271 ADLTZQXURYVPLQ-UGKGYDQZSA-N 362.477 2.920 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616071272 UUZQPNXHFSACRU-YJBOKZPZSA-N 359.857 2.515 0 50 FFAA O[C@H]1CN(Cc2ccc(CN3CCCCC3)s2)C[C@@H]1Cc1cnccn1 1616071109 MNPOMTANIFKWDP-JXFKEZNVSA-N 372.538 2.559 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)c1nc2c(s1)CCCC2 1506417274 PDEWPMNARPMXMP-UHFFFAOYSA-N 360.464 2.987 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216239053 OWVACMOUQZZOQY-MSOLQXFVSA-N 356.466 2.574 0 50 FFAA CCc1ccc(N2C(=O)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1050927 MIMLSMAFVOWVRR-MSOLQXFVSA-N 356.447 2.861 0 50 FFAA Cc1ncc(CN(CCO)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[nH]1 1704314837 VUMKVTKDQGIWSH-CYBMUJFWSA-N 365.861 2.777 0 50 FFAA C[C@H](Cn1cccn1)C(=O)N1CCCN(c2nccc3ccccc23)CC1 1772812089 AHTQBLBKDATRSD-QGZVFWFLSA-N 363.465 2.806 0 50 FFAA Cc1ccc(Br)cc1S(=O)(=O)n1nnc2ccccc21 5047524 BJUVRXALVJDYHI-UHFFFAOYSA-N 352.213 2.739 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C(=O)c3occc3C)C2)cc1 12054142 JJPAUEZJVLFHAI-QGZVFWFLSA-N 370.449 2.808 0 50 FFAA CC(C)CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C 14731311 UTFDTZPGATVPCU-UHFFFAOYSA-N 372.513 2.992 0 50 FFAA OCC[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccc(F)cc1 19222192 AXBZZHOJJRRPFM-GOSISDBHSA-N 368.456 2.771 0 50 FFAA CN1CC[C@@H](N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 19334138 ZUGRRWTVPYKOMI-CQSZACIVSA-N 358.442 2.978 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(OC)c(Cl)c1 1857670176 ZAHLQULIKYYZHU-XZJROXQQSA-N 359.875 2.663 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1ccc(OC)c(CN3CCCC3)c1)C2 1857670500 QSYIYUWZFRQQFO-NRFANRHFSA-N 373.497 2.708 0 50 FFAA COCc1ccsc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 328615184 YALWGISQNVJIMV-LBPRGKRZSA-N 351.428 2.615 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)cn2)n1 237787403 BFRDHTVWBXNBED-XIRDDKMYSA-N 368.437 2.742 0 50 FFAA O=C(NC[C@]12CCCN[C@@H]1C2)[C@@H](c1ccccc1)n1cnc2ccccc21 1875276559 BOQQSUAAFVSUGN-KCZVDYSFSA-N 360.461 2.884 0 50 FFAA COC(=O)[C@H](C[C@H]1CCOC1)NC(=O)[C@H](C)Oc1cccc2ccccc12 1875297729 BRRQSRBKDRZLDH-DAYGRLMNSA-N 371.433 2.692 0 50 FFAA COC(=O)NC1(C(=O)N2CCC[C@H](c3cccc(O)c3F)C2)CCCC1 1875299207 CVHORZHOZCWHKY-ZDUSSCGKSA-N 364.417 2.906 0 50 FFAA Cn1c(C2CC2)nc2cc(NC(=O)[C@H](N)Cc3ccc(O)c(F)c3)ccc21 1875307887 VOVLHIHPKBUQEZ-OAHLLOKOSA-N 368.412 2.804 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1 1875371981 SPFFUEHFKHTMRA-UHFFFAOYSA-N 350.418 2.743 0 50 FFAA O=C(N[C@H](CO)c1cccc(O)c1)c1c[nH]nc1-c1ccc(Cl)cc1 1875342559 XMFBNTJKTHZWLC-MRXNPFEDSA-N 357.797 2.899 0 50 FFAA Cc1cc(N2CCC[C@](C)(NC(=O)[C@@]34CCC[C@@H]3C4(F)F)C2)ncn1 1875405921 ROOWUMDPVKCRGP-RRQGHBQHSA-N 350.413 2.696 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cccc3c2CCC3)[C@@H]1c1cncn1C 886046113 DPSLEDLVFLMZRI-OXJNMPFZSA-N 352.482 2.722 0 50 FFAA COc1ccc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(Cl)c1 888097769 OIZBFGBHEFIWMZ-NCXUSEDFSA-N 352.906 2.918 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)CCCC(=O)c1ccccc1)C2 1073277637 DNEKZAKTNOZTHJ-AEFFLSMTSA-N 371.481 2.644 0 50 FFAA O[C@@]1(CNC[C@@H]2CCCN2Cc2ccccc2)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 2325754278 IVONYFBUDCTOAM-CRTMUMIZSA-N 364.533 2.750 0 50 FFAA Fc1ccccc1-n1ncc2c(N[C@H]3CCNCCC3(F)F)ncnc21 2325800068 MGXYAVNCIGPKOL-AWEZNQCLSA-N 362.359 2.754 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(C(=O)O)cc3)C[C@@H]2C)c1 2325826325 YKMCPOLWCSAABH-AWEZNQCLSA-N 354.406 2.744 0 50 FFAA CSCCc1nc(-c2nn3c(c2C)CCCC3)n(CCCN(C)C)n1 2325849412 OTISZLSSWGPDAX-UHFFFAOYSA-N 362.547 2.644 0 50 FFAA CC(C)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868255 UOVYHYXIFVRFRN-VQTPCSAVSA-N 351.535 2.695 0 50 FFAA COC(=O)COc1ccc(NC(=O)[C@H]2CNCC2(C)C)c2ccccc12 884163582 KIVWZOIMTCABRG-OAHLLOKOSA-N 356.422 2.576 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3ccncc3OC)c2)CC1 2356148457 YECHPTWZBUTIMN-UHFFFAOYSA-N 369.421 2.672 0 50 FFAA Cc1n[nH]c(C)c1CCc1nnc2n1[C@H](C)C(=O)N(Cc1ccccc1)C2 2356154460 WVEDRXGYMAOBCS-OAHLLOKOSA-N 364.453 2.507 0 50 FFAA CC[C@@H](C(=O)OC)n1nc(-c2ccc(Br)cc2)ccc1=O 4542983 OSPXNJAPTXHQOK-ZDUSSCGKSA-N 351.200 2.797 0 50 FFAA CCn1c(C)nnc1CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225397960 XUVASEQJHLGRPF-IUODEOHRSA-N 354.376 2.933 0 50 FFAA COc1cnc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 225795732 WMZOHXMGXWXWRL-CYBMUJFWSA-N 373.434 2.801 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)CCn1c(C)cc2ccccc21 55310473 KKVNASPQJDYQFE-UHFFFAOYSA-N 354.454 2.749 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1 22135283 QUXJPNTVLKECEB-UHFFFAOYSA-N 374.481 2.959 0 50 FFAA COc1ccccc1CN(Cc1cccnc1)C(=O)CCN1CCCO1 55197731 BFHWSIKYUIDOBV-UHFFFAOYSA-N 355.438 2.646 0 50 FFAA COc1ncc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)cn1 67934672 IOWLDBDIFLXQRB-HNNXBMFYSA-N 363.421 2.895 0 50 FFAA CCC(=O)Nc1cccc(OCC(=O)N2CCc3[nH]nc(C(C)C)c3C2)c1 67725916 MYYQUSVBKOWYBR-UHFFFAOYSA-N 370.453 2.845 0 50 FFAA Cc1nc([C@H]2CCCNC2)cc(N2CCC(O)(c3ccc(F)cc3)CC2)n1 67472630 PVKRCEVOKXWDLZ-INIZCTEOSA-N 370.472 2.879 0 50 FFAA CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1 121089008 JZOXKUNYIHEVEZ-UHFFFAOYSA-N 370.434 2.860 0 50 FFAA COc1cc(C2CC(=O)N(c3ccccn3)C(=O)C2)cc(OC)c1OC 6659140 YEBOGIIVLLBQMF-UHFFFAOYSA-N 356.378 2.545 0 50 FFAA Cc1[nH]c(=O)c(C(=O)N(C)Cc2cc(-c3cccnc3)no2)c(C)c1Cl 77517131 QSRGYCVELITTNT-UHFFFAOYSA-N 372.812 2.967 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)c1ccccc1C[C@H]2O 77457829 YLTRBANLVNZDTR-OAQYLSRUSA-N 373.456 2.963 0 50 FFAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCC2(CS(C)(=O)=O)CCC2)C1 333938565 MNRSCUFDTKFJCR-WMLDXEAASA-N 356.532 2.812 0 50 FFAA Cc1csc([C@@H](NC(=O)N2CCCc3c(cnn3C)C2)C(F)(F)F)n1 333951490 ZBFHUVKABDKZAD-GFCCVEGCSA-N 373.404 2.946 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 237527912 HSGMGIGYKZMFRH-AAEUAGOBSA-N 352.360 2.843 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCC[C@H]1c1nc(-c2ccncc2)no1 72164283 WAHNEMKWJQNWIA-INIZCTEOSA-N 364.409 2.642 0 50 FFAA CC(C)COc1ccccc1CN(C)C(=O)[C@@H]1CC2(CCNCC2)CN1C 72432646 AFYJXIPRLDMTQQ-IBGZPJMESA-N 373.541 2.754 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3ccc(C)n3)ncn2)c1 72115964 LDWYIJZBJXXFOQ-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA COc1ccc2c(c1)CN(C(=O)Nc1cnn(C[C@H]3CCCO3)c1)CC2 363254358 DPSYFCMEAFIEGM-GOSISDBHSA-N 356.426 2.661 0 50 FFAA Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cn1 237998473 MJRKPXKGCZBFOY-SFHVURJKSA-N 360.417 2.644 0 50 FFAA CCCn1nc(C)c(CNc2nc(-c3cccnc3)nc3c2CNC3)c1C 72148620 RRCWCWXMYFKOMQ-UHFFFAOYSA-N 363.469 2.977 0 50 FFAA C[C@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@@H](C)N1CCO 451653723 NCEQDRBSYYHJDE-CALCHBBNSA-N 359.539 2.815 0 50 FFAA C[C@H]1C[C@H](c2cccs2)CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 376773084 OYPILSWATVVGBP-AAEUAGOBSA-N 363.460 2.985 0 50 FFAA Cc1nc(C2(NC(=O)Nc3cccc(-n4ccnn4)c3)CCCC2)no1 130312130 MPVIIJIBAISBGR-UHFFFAOYSA-N 353.386 2.550 0 50 FFAA CC[C@@H](O)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77471217 ZGTUNUNQIZIXBT-QGZVFWFLSA-N 350.890 2.925 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccsc1 242087932 WAHUMMLUIMEYCJ-SFHVURJKSA-N 373.453 2.897 0 50 FFAA CC(=O)N1CCc2cc(NC(=O)c3cn(-c4cccc(C)c4)nn3)ccc21 159128783 ATVWCIBBKNXMDT-UHFFFAOYSA-N 361.405 2.737 0 50 FFAA O[C@@H]1CCCN(CCCNc2cc(-c3ccccc3)nc3ccnn23)C1 72421861 UEDVDQSUSGJQBB-QGZVFWFLSA-N 351.454 2.655 0 50 FFAA CC(C)Oc1cccc2c1c(NC(=O)CN(C)C)nn2CC(F)(F)F 72431850 UENZEQMJLGIMBN-UHFFFAOYSA-N 358.364 2.886 0 50 FFAA O=C(Cc1cc(F)ccc1Br)NC1CCC(C(=O)O)CC1 263156427 OEYSWAHKJIWFHA-UHFFFAOYSA-N 358.207 2.890 0 50 FFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccccc2)C(=O)C1 82106987 LBFQSEUOBKUUKQ-UHFFFAOYSA-N 363.461 2.771 0 50 FFAA Cc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c2cccc(C)c2n1 82093100 ZHKFQKOEGUBUEQ-QGZVFWFLSA-N 353.466 2.788 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 17073974 GKGMJZXJBUDAIZ-GNNGFNCTSA-N 358.438 2.599 0 50 FFAA Cc1cc(=O)[nH]c(CCNC(=O)c2ccccc2OCc2ccccc2)n1 223166057 SDAMEDHVVWZSAF-UHFFFAOYSA-N 363.417 2.630 0 50 FFAA COCCCN1CC[C@H](CNC(=O)c2cccc(-c3ccc(F)cn3)c2)C1 426651343 NUAROSFDQMIVTA-MRXNPFEDSA-N 371.456 2.976 0 50 FFAA CCCC[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCCN 426691338 UVTMVSPPTHVVGX-INIZCTEOSA-N 351.878 2.813 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCCC[C@@H]1CCn1ccnc1C 82126604 VRBOYNRZQRNJFR-MRXNPFEDSA-N 352.442 2.628 0 50 FFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1cc(C(C)(C)C)nn1C 43583800 XEHGPLFFAIJFLJ-UHFFFAOYSA-N 368.441 2.618 0 50 FFAA COc1ccccc1NC(=O)C1CCN(Cc2nc([C@@H](C)OC)no2)CC1 177653151 FALXYLBEPWAKNI-CYBMUJFWSA-N 374.441 2.636 0 50 FFAA CCN1CCC(CCNC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)CC1 426441891 MKKHCZDQAHOWHY-LJQANCHMSA-N 363.502 2.579 0 50 FFAA CCC(=O)Nc1ccc(C)c(NC(=O)NCc2noc([C@@H]3CCCO3)n2)c1 426428773 LZCVZVJKNURWBK-AWEZNQCLSA-N 373.413 2.900 0 50 FFAA CCN1CCN(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 48214767 QZRFMEWJLZSOKR-UHFFFAOYSA-N 361.873 2.854 0 50 FFAA Cc1nnc(SCCCNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)s1 426707277 VAMKJNKIKSKTNI-LBPRGKRZSA-N 366.516 2.641 0 50 FFAA COCc1cc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)ccc1OC 426563115 CFPPWNFKKFNXBK-MRXNPFEDSA-N 373.453 2.502 0 50 FFAA O=C(COc1ccc2nncn2n1)N1CCCC[C@H]1CCc1ccccc1 82134178 WKDFGJRZGPOMHL-KRWDZBQOSA-N 365.437 2.517 0 50 FFAA CC(C)OCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 95377929 HBGILXRUTBJTSM-UHFFFAOYSA-N 372.509 2.885 0 50 FFAA CN1CCc2nc[nH]c2C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 91650937 BVSOAVOWASEDLN-UHFFFAOYSA-N 374.872 2.771 0 50 FFAA O=C(c1ccncc1)N1CCC(c2nccn2Cc2cscn2)CC1 91636999 UDRQEQUQWMAKHA-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA CC(C)N(C(=O)c1ccccc1-c1nccc(N2CC[C@@H](O)C2)n1)C(C)C 97514180 UYJSDHWAZVKOEE-MRXNPFEDSA-N 368.481 2.974 0 50 FFAA Cc1cccc(N2C[C@@H](NC(=O)Cn3ccnc3-c3ccccc3)CC2=O)c1 95503688 ZUEFKWQMXJRDNF-SFHVURJKSA-N 374.444 2.780 0 50 FFAA Cc1cc(-c2nc(Cn3cncn3)nn2CC2CCCCC2)nc(C)n1 96162474 KCYTZWXIIJUIMG-UHFFFAOYSA-N 352.446 2.572 0 50 FFAA O=C(CCc1ccncc1)NC1CCN(C(=O)Nc2ccccc2)CC1 97527953 IEEWIJANHZUJHF-UHFFFAOYSA-N 352.438 2.827 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 293669070 IISOYSPJVCYZQQ-CQSZACIVSA-N 370.371 2.671 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cnn([C@@H]3CCCNC3)c2)[C@H](C)CO1 333283475 MWMVUSIADQCZDH-POAQFYNOSA-N 368.481 2.718 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(Cl)cc3F)CC2)CN1CCO 91391487 WVNZYDDJHOIXNY-UHFFFAOYSA-N 354.853 2.676 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 91416666 QIJZTXTWOSSUBU-YLJYHZDGSA-N 365.481 2.770 0 50 FFAA Cc1nnc(SCCCNC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 97360232 XXLVCVQXWAZZAI-LBPRGKRZSA-N 362.480 2.571 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1nnc(-c3ccccc3)o1)C2 95366363 KWDYWYYDLDRIBP-OAHLLOKOSA-N 365.389 2.613 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cnc(SC)nc3)C2)c1 91625080 BWAUUAGXOUQICJ-GFCCVEGCSA-N 359.451 2.845 0 50 FFAA COc1ccc(C(C)(C)CNC(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 183392418 NMGXIMDOOCLWMQ-GOSISDBHSA-N 370.449 2.966 0 50 FFAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)CC[C@H](N)c2ccccc2)C[C@@H](C)O1 299738832 HBEANVDYCULMOO-HNJRGHQBSA-N 359.514 2.567 0 50 FFAA O=C(NCC[C@H]1CCCN1)Nc1cccc(C(=O)N2CCCCCC2)c1 299773283 CUZRFSPTVRDYNR-QGZVFWFLSA-N 358.486 2.966 0 50 FFAA Cc1ccc2c(c1)c(C(=O)N1CCC(N3CCSCC3)CC1)nn2C 299760362 FUXHGMUXRCXBRO-UHFFFAOYSA-N 358.511 2.535 0 50 FFAA CC[C@H](C(=O)NCc1cc(-c2ccccc2Cl)on1)N1CCOCC1 299780150 IKCMCGNLUGATTE-MRXNPFEDSA-N 363.845 2.722 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2cccc(-c3cnc[nH]3)c2)CC1 299761930 BVSSFEWMJMDCKS-UHFFFAOYSA-N 357.414 2.819 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NCc2nncn2C2CCCCC2)c1 827792101 IXBYFFPGTBEYOR-UHFFFAOYSA-N 355.442 2.737 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC4(CCC[C@H]4CN)CC3)n2)cc1 1341982554 WUPDSCPADVFMTL-INIZCTEOSA-N 368.481 2.862 0 50 FFAA Cc1cnc2c(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)cnn2c1 952987410 LYPPUCJAWSAUAW-UHFFFAOYSA-N 365.437 2.763 0 50 FFAA O=S1(=O)CCCN1c1ccc(CNc2ncnc3ccccc23)cc1F 185954249 BYZUJESLYWFSKW-UHFFFAOYSA-N 372.425 2.921 0 50 FFAA CCCn1cc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cn1 275398206 AXLCEOSLGZIPRW-KRWDZBQOSA-N 369.469 2.582 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)o1 275405612 QIONGXARTLPLKD-OAHLLOKOSA-N 355.394 2.569 0 50 FFAA C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NC1CC(F)(F)C1 277111568 XMNBVGWKWXYXGB-ZCFIWIBFSA-N 367.215 2.543 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)CC2 277537794 YCOBTZNKKOVUFW-CRAIPNDOSA-N 371.458 2.760 0 50 FFAA CCOC(=O)C[C@](C)(NC(=O)c1cncc(Br)c1)C(C)C 170599344 PJUYLTYWXQNYDD-HNNXBMFYSA-N 357.248 2.942 0 50 FFAA CN1CCC(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)CC1 279615914 CBWXMIJAOQJHLY-CZUORRHYSA-N 356.388 2.682 0 50 FFAA Cc1noc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1-c1ccccc1 1529197944 ZNZVFZOVKIJKMF-HNNXBMFYSA-N 356.426 2.982 0 50 FFAA CO[C@@H]1C[C@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)CC[C@@H]1O 1704334401 IQBXCYXZNMRHIX-XOKHGSTOSA-N 360.479 2.911 0 50 FFAA CC1=CC2(CCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)OCC1 1704327885 JAKUHFABSAQVBA-UHFFFAOYSA-N 354.454 2.927 0 50 FFAA Cc1ccsc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704343831 FMOBCTXEGYAGDR-DNVCBOLYSA-N 359.447 2.577 0 50 FFAA CC(C)n1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n1 1704352848 KAFBCFYOSLPBKL-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA Cc1occc1C(=O)N1CCCN(C(=O)c2cnc3ccccc3n2)CC1 1772711418 XTMHJXJCNYNKES-UHFFFAOYSA-N 364.405 2.520 0 50 FFAA CN1CCc2nc(CNC(=O)c3c(Cl)ccc4ncccc34)ncc2C1 1775984392 RRBZBAQOLUJCIE-UHFFFAOYSA-N 367.840 2.596 0 50 FFAA CN1CC2(CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)OCC1=O 1772819866 WAIHBMWTXSTAEA-UHFFFAOYSA-N 364.873 2.513 0 50 FFAA O=C(c1cnc2ccccc2c1)N1CCCN(C[C@H]2CCCOC2)CC1 1772709896 JLYQPPBZMQBHMK-QGZVFWFLSA-N 353.466 2.809 0 50 FFAA COc1ccc(-c2n[nH]cc2CN(C[C@@H]2CCC(=O)N2)C(C)C)c(OC)c1 12306261 WHAKDZZVNZNLAA-HNNXBMFYSA-N 372.469 2.583 0 50 FFAA O=C(NCc1csc(-c2ccccc2)n1)c1cn(C[C@H]2CCCO2)nn1 12314245 VJWMWGFDQAGYBN-OAHLLOKOSA-N 369.450 2.511 0 50 FFAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCC(Cc2ccccc2F)CC1 14971353 JVJFTZVCVJKMPB-KRWDZBQOSA-N 372.444 2.691 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccccc1F)CCCC3 169778267 OLYBVMPCXFTMLO-UHFFFAOYSA-N 354.385 2.621 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccn1 2263645 CURVYXVKRDIDCJ-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2990057 ZPNADFVCMJMESI-OAHLLOKOSA-N 368.499 2.862 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H](O)[C@H](CC(=O)O)C1 1857670733 YDDGLNWVVYKRGL-IAQYHMDHSA-N 363.797 2.816 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CCC2 1857691613 SHVWFRGNKNRNQF-MRXNPFEDSA-N 352.438 2.663 0 50 FFAA COc1ccccc1C(=O)N(Cc1nccs1)[C@H]1CC12CCNCC2 435566765 OUXVWTDMLQMLHI-INIZCTEOSA-N 357.479 2.936 0 50 FFAA Cc1cc([C@H]2CN(c3nccc(N[C@@H]4CCCOC4)n3)CCO2)ccc1F 333141643 KKGYSXGELZFHRF-SJLPKXTDSA-N 372.444 3.093 0 50 FFAA N[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 237912886 VDPQSYTVDNJBJU-LLVKDONJSA-N 364.243 2.596 0 50 FFAA Cn1nc(-c2ccco2)cc1NC(=O)c1ccc(OCC(F)(F)F)nn1 242339391 ZHLULWDJVBAHBA-UHFFFAOYSA-N 367.287 2.664 0 50 FFAA CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 133784952 MJCHHRBBJGLMOG-OLZOCXBDSA-N 370.280 2.557 0 50 FFAA CC[C@](CNC(=O)c1cc2c(s1)CCOC2)(C(=O)O)c1ccccc1 262890721 CAJJLSHUQMNVEF-LJQANCHMSA-N 359.447 2.983 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Cl)cn2)CC1(C)C 839794593 YSYQPPQDZGUXJX-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA CC[C@H](N)CC(=O)N1CCc2cc(Br)c(O)cc2[C@H](C)C1 2325779332 YYXHFPBHRFNSKK-PWSUYJOCSA-N 355.276 2.770 0 50 FFAA O=C(Cc1cc2ccccc2o1)N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785824 OUAYCANMHJPLDZ-JCURWCKSSA-N 373.840 2.781 0 50 FFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1nccc(-c2ccccc2F)n1 2325785996 XPDKIAKWGLLAKY-FSPWUOQZSA-N 353.401 2.731 0 50 FFAA Brc1ccc2ccc(N3CCN[C@@H](c4cn[nH]c4)C3)nc2c1 2325790812 MYBBSGKVNSSGEB-OAHLLOKOSA-N 358.243 2.871 0 50 FFAA NC(=O)c1ccsc1NC(=O)C[C@]1(C(=O)O)CCCc2ccccc21 2325851935 NIBZUPKWPIJIAD-GOSISDBHSA-N 358.419 2.535 0 50 FFAA CC1(C)CNCC[C@H]1NCc1cnn(-c2cccc(Br)c2)n1 2325868581 BOXLBYYNVUOPGT-OAHLLOKOSA-N 364.291 2.508 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)CC(F)F)C1)c1ccc2cccnc2c1 2325871415 KPGCNDALCRKLPW-ZDUSSCGKSA-N 361.392 2.858 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(F)c(Br)c2)CC1 2325888337 JDHGAGIOFGVVAB-UHFFFAOYSA-N 355.207 2.951 0 50 FFAA CCNS(=O)(=O)c1ccc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1 904867667 DMVWXWAQXOYVJC-GFCCVEGCSA-N 360.435 2.680 0 50 FFAA CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(N)c1 2846985 QJNPSVSJEAFBJH-UHFFFAOYSA-N 360.468 2.735 0 50 FFAA COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)nnn2C 225795283 PPSYBVJDYOXIGE-UHFFFAOYSA-N 366.421 2.562 0 50 FFAA O=C(c1cc(=O)c2ccccc2[nH]1)N(Cc1ccccn1)C[C@@H]1CCCO1 55413609 JRCLCESOKJQHFE-INIZCTEOSA-N 363.417 2.745 0 50 FFAA O=C(NCCCN1CCOCC1)c1cccc(NCc2ccc(F)cc2)c1 55575208 QTWHXTSNHWOABO-UHFFFAOYSA-N 371.456 2.890 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)NC[C@H]1CCc2ccccc2O1 55228322 FUKMYSFLPDAHHG-MRXNPFEDSA-N 368.433 2.924 0 50 FFAA C[C@@H](CNC(=O)Nc1ccccc1CC(=O)N(C)C)N(C)c1ccccc1 56624759 OXBLXIPWOFRXKV-INIZCTEOSA-N 368.481 2.964 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)CC1 65362886 PVLYYRNUDDVIMB-UHFFFAOYSA-N 359.451 2.755 0 50 FFAA Cc1cccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c1 65364294 XEHAMUAPZHTWKI-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CCCn1nc(C)c(CNC(=O)c2ccccc2N2CCOCC2)c1C 65384683 JVAQWQGNJSAXLO-UHFFFAOYSA-N 356.470 2.677 0 50 FFAA O=C(c1cc2n(n1)CCCNC2)N1CCC[C@@H]1c1nc2ccccc2s1 65430592 HHFYWRYIQUPZAD-MRXNPFEDSA-N 367.478 2.963 0 50 FFAA COC[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H]2CCO[C@H]21 1074614657 WRTSQGOSIJISFH-IYWMVGAKSA-N 373.474 2.682 0 50 FFAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607491 ZANTXTLBGIZTLM-ZDUSSCGKSA-N 372.918 2.797 0 50 FFAA Nc1nc2c(s1)[C@@H](c1cnc(-c3ccc(Cl)cc3)nc1)CC(=O)NC2 65508422 LKVCPLMDCPIFQK-GFCCVEGCSA-N 371.853 2.988 0 50 FFAA CCC[C@@H](C)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67654885 RYFWAHSYXGAUDC-MRXNPFEDSA-N 360.502 2.619 0 50 FFAA O=C(CCOCC(F)F)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 423579997 QEAJPPBKHUPHOT-CQSZACIVSA-N 358.454 2.891 0 50 FFAA O=C(COc1cccc2ccccc12)N1CCC[C@@H](CN2CCOCC2)C1 171955501 NNAFVWUDWNNBKA-SFHVURJKSA-N 368.477 2.789 0 50 FFAA Cc1ccc(N[C@](C)(C(=O)NCC(=O)NC(C)C)c2ccccc2)cc1 65384365 LWNNHPODBITTLM-NRFANRHFSA-N 353.466 2.963 0 50 FFAA CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1 4215319 KLOIYEQEVSIOOO-UHFFFAOYSA-N 361.438 2.928 0 50 FFAA biogenic,in-man CC(C)c1nc(CNc2nc(-c3ccncc3)nc3c2cnn3C)no1 72479802 SZNKPFQOTOZDGY-UHFFFAOYSA-N 350.386 2.544 0 50 FFAA Cc1cccnc1CN(C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1)C(C)C 71760800 JOBRFVJOEVUFCD-IBGZPJMESA-N 372.557 2.933 0 50 FFAA COc1ncccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72469098 DGFZHGWCUXWKMC-UHFFFAOYSA-N 355.482 2.817 0 50 FFAA CCOC(=O)CNc1ccccc1C(=O)N1CCC2(CCOCC2)CC1 71770854 UKBLVRVKCSIOOP-UHFFFAOYSA-N 360.454 2.694 0 50 FFAA Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c(N(C)C)n1 152602312 KXNAMMABBSJHIZ-GASCZTMLSA-N 369.469 2.717 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2c(Cl)cccc2C1 153347547 RGAIWWZZVLZOAL-UHFFFAOYSA-N 369.856 2.912 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CCc2nc(-c3cccnc3)[nH]c2C1 215828725 GQBZPRFNKGWWMJ-UHFFFAOYSA-N 354.360 2.877 0 50 FFAA COc1ccccc1N1CC[C@H](CNC(=O)C[C@H](O)c2cccc(F)c2)C1 155295760 UAGMJOFJVKEHBJ-BEFAXECRSA-N 372.440 2.901 0 50 FFAA COC(=O)c1ccc(N2CCN(C(=O)c3sc(C)cc3OC)CC2)cc1 77436738 YCPWGFNRSCPOIX-UHFFFAOYSA-N 374.462 2.814 0 50 FFAA COc1cccc(CCC(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1 72474744 IAQLHEXYYNHBTF-KRWDZBQOSA-N 360.498 2.587 0 50 FFAA CS(=O)(=O)Cc1noc(CN2C[C@H]3CCCC[C@]32c2ccccc2)n1 368549964 VBLXZPWTDLPNRO-QAPCUYQASA-N 361.467 2.516 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)CC[C@H]3CCCN(C)C3)CC2=O)c1 77319282 BRZSEGUJSJWSLM-GOSISDBHSA-N 357.498 2.601 0 50 FFAA CSCCCN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77471415 NFVBRRCEKRSJDO-LJQANCHMSA-N 362.543 2.743 0 50 FFAA COCc1noc(CNc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72462863 VZQVCJXNFDZWJK-UHFFFAOYSA-N 350.382 2.846 0 50 FFAA CCCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77487209 FGCRPMZPOQJUEB-UHFFFAOYSA-N 370.840 2.881 0 50 FFAA Cc1nc2c(c(N(C)C)n1)CCN(C(=O)C1(c3ccccc3F)CC1)C2 72154714 QEOJZZAWCQURKC-UHFFFAOYSA-N 354.429 2.607 0 50 FFAA C[C@@H](N[C@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N(C)C)c1 173362519 HBSQCBLXAZIOHK-RHSMWYFYSA-N 360.479 2.591 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(Cn2ccnc2)o1 72474220 PZXUXRTZAZWNQU-UHFFFAOYSA-N 361.405 2.982 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)O1 175253468 HBGJKPXXSZTQOX-CRAIPNDOSA-N 362.445 2.848 0 50 FFAA C[C@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1ccn(C)n1 82091809 OKEIXOJFIXSPLP-INIZCTEOSA-N 374.444 2.965 0 50 FFAA COc1ncccc1CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 176891244 RPHLWHMXDADEGG-HXUWFJFHSA-N 351.406 2.764 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1nc(-c2ccncc2)no1 426740620 UYEWHVDABJEAMF-LLVKDONJSA-N 356.386 2.639 0 50 FFAA O=S(=O)(Nc1nccc2sccc12)c1cnn(C2CCOCC2)c1 160906396 VQCFGZWTXBCYEO-UHFFFAOYSA-N 364.452 2.645 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(-c2cncc(N)c2)cc1)c1ncnn1C 426622921 KBHIFVVMPCGNDG-SFHVURJKSA-N 364.453 2.977 0 50 FFAA Cc1nc2cc(CNC(=O)[C@@H](c3cccnc3)N3CCCC3)ccc2n1C 95520219 UWHCINYKKBKMLM-HXUWFJFHSA-N 363.465 2.730 0 50 FFAA COc1ccc2c(C)c(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)oc2c1 95499396 AVCORLRRATWRAD-INIZCTEOSA-N 369.373 2.881 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91574274 MOAKKPWFWNZNMY-OAQYLSRUSA-N 370.497 2.686 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc(-c3cnc(N)nc3)cc2)n1 426677313 AHKRDCJINHGPJS-GFCCVEGCSA-N 366.425 2.798 0 50 FFAA COc1ccc(C2(C(=O)NCc3cnc(C)cn3)CCCC2)cc1OC 426428796 OXQMALQHCRZGOT-UHFFFAOYSA-N 355.438 2.930 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1cnc(-c2ccncc2)nc1 95375176 WVBZSKRMHNBJQW-OAHLLOKOSA-N 360.417 2.910 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@@H](C)n2cc(C)cn2)CC1(C)C 91434128 NLZZGDZBNCSLOP-MRXNPFEDSA-N 356.470 2.889 0 50 FFAA NCCOc1cccc(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c1 426380357 JRKYJVMVJJZKFW-UHFFFAOYSA-N 372.856 2.916 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3noc(-c4ccccc4)n3)C2)N1CC1CCC1 95362392 YUGGCYZDCBUIFW-DLBZAZTESA-N 352.438 2.964 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)C1 96133295 VDQRXJOUMNRLIM-GOSISDBHSA-N 358.461 2.879 0 50 FFAA CCC1(CC)CCN(C(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)C1 95364178 VSLFLSPPWYMNML-INIZCTEOSA-N 370.497 2.797 0 50 FFAA O=C(N[C@H](Cc1ccccc1)c1ccccc1)N1CCN(CCCO)CC1 426677782 BJIAMLBRZXXQIY-OAQYLSRUSA-N 367.493 2.680 0 50 FFAA Cc1nc(-c2ncc(C(=O)N[C@H](C)c3csc(C)n3)c(O)n2)cs1 91951693 KTARCZSZCYXOHZ-SSDOTTSWSA-N 361.452 2.870 0 50 FFAA Cc1nc(N)sc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95378411 JUJNYAZEWPBQDQ-JKSUJKDBSA-N 356.495 2.770 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)CN(C)C(=O)O2 96133328 SFCDUQFIHHMJMM-UHFFFAOYSA-N 353.806 2.797 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)nc(C)n1 91894595 FCHKTJMPWTVUEZ-OAQYLSRUSA-N 370.497 2.881 0 50 FFAA O=C(CCc1ccc(O)cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91411182 FMEAEUQLHDYJFH-UHFFFAOYSA-N 370.493 2.966 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1cccc(Cl)c1)CC2 91694824 LHFSOFQBELZKPY-KRWDZBQOSA-N 364.873 2.625 0 50 FFAA O=C(c1cnn(-c2ccccc2)c1)N1CCC(N2CCSCC2)CC1 96137582 CQFAWOOPQLZQCG-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA Cc1nc(N2CCC(C(=O)NCc3ccccn3)CC2)c2sccc2n1 91664871 VHTTZFHJRFHDJO-UHFFFAOYSA-N 367.478 2.928 0 50 FFAA COc1ccc2cc(C(=O)N3CCC4(CC3)OCCC[C@H]4OC)n(C)c2c1 97568956 DESUVOPEZMEXKQ-LJQANCHMSA-N 372.465 2.987 0 50 FFAA CC(C)N1CCC(C(=O)N2CCN(c3ncccc3Cl)CC2)CC1 95508030 ZVSUDMMIEHIACT-UHFFFAOYSA-N 350.894 2.504 0 50 FFAA CCc1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)[nH]1 91757103 ZZZOBNNHMKILEY-KRWDZBQOSA-N 373.497 2.601 0 50 FFAA CCCC(=O)C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95361607 LIDCFHYMPRMHQX-GDIGMMSISA-N 362.420 2.723 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N(C)C[C@@H]1CCN(c2ccccc2)C1 95388871 YMFIGHXGIJZMOW-SFHVURJKSA-N 353.466 2.532 0 50 FFAA O=C(CCc1ccc(Cl)cc1)N[C@@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 244858621 VOQXGMOYLMUAPK-WDYCEAGBSA-N 350.890 2.528 0 50 FFAA CCn1ccnc1CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 298261066 ZTUHMXMJGNQEPX-FGTMMUONSA-N 354.454 2.617 0 50 FFAA Cc1noc2nc3c(c(C(=O)N[C@@H](C)c4nncn4C(C)C)c12)CCC3 299780176 RWVHPQAMTCBGPJ-NSHDSACASA-N 354.414 2.683 0 50 FFAA Cc1nnsc1CNC(=O)Nc1cc(N2CCOCC2)ccc1Cl 299794225 JLTWKGRTOZHZRJ-UHFFFAOYSA-N 367.862 2.658 0 50 FFAA CCC1=NO[C@@H](CNC(=O)N(C)Cc2ccccc2CN2CCCC2)C1 584887963 YMRBMTCKCOGHOK-LJQANCHMSA-N 358.486 2.979 0 50 FFAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)c3onc4c3CCCC4)CC[C@@H]21 1565529966 VNRKXVIDTSOFJO-PBHICJAKSA-N 359.470 2.663 0 50 FFAA CC(C)Cc1ccc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)s1 1565515527 FTERGQGGRUGUFS-OALUTQOASA-N 373.522 2.707 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)n1 952990159 GUOFBXQRUGMSQA-CYBMUJFWSA-N 373.482 2.926 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCN(c2ccc(Cl)cn2)CC1 952987928 KOXIREFWEDGTGF-DUXPYHPUSA-N 363.870 2.651 0 50 FFAA O=C(Nc1ccccc1-c1nn[nH]n1)c1cc(O)nc2cc(F)ccc12 1470787555 NOPPFAZQGDVGMY-UHFFFAOYSA-N 350.313 2.512 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)CCc2ccccn2)CC1 275506201 ASKRJTZLXMMZON-FQEVSTJZSA-N 352.482 2.922 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275719410 YXDKWLYZGAWCOT-CFLQYTFWSA-N 357.454 2.980 0 50 FFAA COc1ccccc1COC[C@@H](O)CN1CC[C@]2(C1)OCc1ccccc12 186675105 WQZIDBPGWUSMEC-SIKLNZKXSA-N 369.461 2.704 0 50 FFAA O=C(CCc1nc2ccccc2s1)N[C@H]1COC[C@@H]1Cc1ccncc1 1616049323 RUGMMXJAFGFCDP-RDJZCZTQSA-N 367.474 2.998 0 50 FFAA COc1ccc(C(=O)N2CCCN(Cc3cccnc3N)CC2)cc1Cl 1529133371 KHLBETSRNOTEQB-UHFFFAOYSA-N 374.872 2.674 0 50 FFAA CC1CCN(S(=O)(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)CC1 1529144114 LXNCGXXJHJYPAH-RBUKOAKNSA-N 364.511 2.815 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@H]1CCOC1 1704313632 KQVDWKNYGWPWTI-ZDUSSCGKSA-N 365.817 2.572 0 50 FFAA Cc1cc(Br)c2c(c1)[C@](O)(CC(=O)c1ccco1)C(=O)N2C 1124682 CMJXUHAQRTVINW-MRXNPFEDSA-N 364.195 2.788 0 50 FFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(C)C)c(OC)c1 5563868 MVWFDTDABRYOQY-INIZCTEOSA-N 364.467 2.696 0 50 FFAA COCc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)s1 12091961 SDMOCIATKOVXJJ-IBGZPJMESA-N 362.495 2.759 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12300067 KUOZJGXCCCYEFV-AWEZNQCLSA-N 364.396 2.941 0 50 FFAA CCCS(=O)(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C 12303913 UJCDTOFQMOQLEJ-HNNXBMFYSA-N 354.520 2.946 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNC1CCCCC1 12458146 IRTPALKDTQQVJI-IBGZPJMESA-N 352.425 2.741 0 50 FFAA COc1cc(OC)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC 13327086 SJZKBWMUQOMOGK-UHFFFAOYSA-N 364.423 2.742 0 50 FFAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1Cc1cccnc1 13638772 ZQUMZNBYLUNXQN-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA C[C@@H](O)c1cn(C2CCN(C3CCN(c4ccccc4F)CC3)CC2)nn1 19223027 LTBIJVDIWJTHSP-OAHLLOKOSA-N 373.476 2.776 0 50 FFAA COc1ccc(-c2noc(CNC(=O)NC3CCCCC3)n2)cc1OC 4512800 XEXOSAOSQLDSCS-UHFFFAOYSA-N 360.414 2.886 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccccc2F)c1 4412472 VWICXZOCJQKAKV-UHFFFAOYSA-N 371.412 2.616 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 2870461 JXCZWCNDIIWAGX-UHFFFAOYSA-N 370.833 2.879 0 50 FFAA Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CC(=O)N2CCc1ccc(F)cc1 1857692693 PTPRHTAGDYOXSP-OALUTQOASA-N 357.429 2.848 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)cc(C)n1 1857723445 GCSFBDGQNMTIGK-QEUVDIPISA-N 355.482 2.599 0 50 FFAA Cn1cc(C2CCN(C(=O)COc3ccc(F)c(Cl)c3)CC2)cn1 123385364 NTFYFYBMSGBMPS-UHFFFAOYSA-N 351.809 2.998 0 50 FFAA Cc1cccc(C(=O)N[C@H](C(=O)N2CCC(c3ccn[nH]3)CC2)C(C)C)c1 125725120 YSQXYLSYMMSDLN-IBGZPJMESA-N 368.481 2.879 0 50 FFAA CCOc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632496 RCLJVGZFLTXXID-GJZGRUSLSA-N 351.399 2.927 0 50 FFAA in-vitro O=C1CC[C@@H]2CN(c3ncccc3F)CC[C@@H]2N1CCc1ccccn1 248004065 SBQNTHUVGAEOSW-QAPCUYQASA-N 354.429 2.676 0 50 FFAA C[C@H](NC(=O)CN1CCOC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 135643584 LLVKJAWWIOAMOY-KRWDZBQOSA-N 372.509 2.624 0 50 FFAA O=C1C[C@@H](C(=O)Nc2ncccc2OCc2cccc(Cl)c2)CCN1 151635664 HVLQOZRRNOHZRU-ZDUSSCGKSA-N 359.813 2.779 0 50 FFAA COc1ccc2c(c1)CN(C(=O)CCNC(N)=O)[C@@H](C1CCCCC1)C2 370362051 PXFJXIFGNPFVKV-GOSISDBHSA-N 359.470 2.587 0 50 FFAA O=C1CC[C@H](NC(=O)c2ccc(OCc3ccccn3)cc2)C2(CCC2)N1 374653953 FLYAXEXVKLDYIL-SFHVURJKSA-N 365.433 2.592 0 50 FFAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 262328948 DZOLXGQOUSEGKY-NSHDSACASA-N 371.764 2.987 0 50 FFAA O=C(NCCOC(F)(F)F)C(F)(F)c1ncccc1Br 907669588 UIBFPIVYHPIYRX-UHFFFAOYSA-N 363.080 2.589 0 50 FFAA COC(=O)C1(c2cccc(NC(=O)N3C[C@@H](C)C[C@H](CO)C3)c2)CCC1 1875296825 QUXCQHBCLSCZOZ-GJZGRUSLSA-N 360.454 2.764 0 50 FFAA COc1ccccc1-n1nnnc1Sc1cc(=O)oc2ccccc12 1875339052 UVYOSHMTCKLRCE-UHFFFAOYSA-N 352.375 2.929 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)[C@@]1(C)OCCc2ccccc21)c1ccccc1 1875386309 MIFXKFGCBJDJMA-KNQAVFIVSA-N 364.445 2.634 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C(F)(F)F 886036564 VCRUERUBVKTRPA-IUODEOHRSA-N 353.344 2.840 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3cc(C)ccc3F)C2)ccn1 886056948 YIBXDWFKNRQSML-LJQANCHMSA-N 357.429 2.819 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cc(F)c(C)cc2F)C1 888076817 ITMVTFROSQZOOE-OLMNPRSZSA-N 352.425 2.574 0 50 FFAA Cc1nc(CN2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)n(C)n1 1073372430 MKDWGOZIHMWSIB-UXHICEINSA-N 353.514 2.653 0 50 FFAA O=C(O)c1cccc(OCc2nnnn2-c2cccc(C(F)(F)F)c2)c1 9306726 WJXHVKBFMOKTEQ-UHFFFAOYSA-N 364.283 2.958 0 50 FFAA COc1ccc(N2C(=O)CN(Cc3cn(C)nc3C)CC23CCCC3)cc1 14956728 NSRLLBQMNPYOOS-UHFFFAOYSA-N 368.481 2.899 0 50 FFAA Cc1cccn2cc(C(=O)N[C@](C)(CCc3ccccc3)C(=O)O)nc12 2325865483 DXTQWTWKLOYTGJ-HXUWFJFHSA-N 351.406 2.849 0 50 FFAA CNC(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 2325870543 CMXAHXQZIYSGSD-UHFFFAOYSA-N 363.417 2.982 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cn(C)nc2Br)cc1 2325889978 LKBLBNLCWXOAOA-UHFFFAOYSA-N 363.215 2.584 0 50 FFAA O=C1CC[C@](NC(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)O1 826655 UDEUXDFROWZKJG-HXUWFJFHSA-N 369.373 2.690 0 50 FFAA COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nccs2)CC1=O 1072276 CTCCWXPIQXHPKF-SECBINFHSA-N 351.815 2.797 0 50 FFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 1156843 MUWUMJQISSGPGN-UHFFFAOYSA-N 360.391 2.529 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@H](NC)C2)ccc1OCc1cccnc1 133287356 HWZSRFQSMANHTC-SFHVURJKSA-N 369.465 2.883 0 50 FFAA CCCCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 2910551 NTBBWMDASZNDTF-UHFFFAOYSA-N 351.497 2.714 0 50 FFAA Cc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)C[C@H]2CCO)o1 52592517 UZHYLUQXKPELBO-MRXNPFEDSA-N 354.454 2.533 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)N1CCO[C@H](c2nccs2)C1 111839506 MQVFMNXUTZNKDX-INIZCTEOSA-N 369.450 2.612 0 50 FFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1Cc1cc(COC)[nH]n1 67741770 DPGQOOMQXJPOFC-UHFFFAOYSA-N 363.425 2.746 0 50 FFAA CCCCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 55414792 NNOAZDKMHQTYDI-XLNAKTSKSA-N 357.454 2.611 0 50 FFAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@H]2C)C1=O 247972120 ASSUJUQFBZLTHO-PTSWNOGYSA-N 357.454 2.539 0 50 FFAA CC[C@H](C(=O)N1CCCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 65364091 BTSRBLLGIINEIZ-OAHLLOKOSA-N 358.891 2.815 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN(C)Cc3ncc[nH]3)C2=O)cc1 67654873 VEPIOVXJSNSSEW-NRFANRHFSA-N 370.497 2.519 0 50 FFAA C[C@H](c1ccncn1)N(C)Cc1ccc(C(=O)Nc2cnns2)cc1 65528863 CULNAOSVYPADFA-GFCCVEGCSA-N 354.439 2.773 0 50 FFAA Cc1cccc(Cc2nnc(NC(=O)N(C)CCc3noc(C)n3)s2)c1 23379702 LGMPNYWEZQUDFX-UHFFFAOYSA-N 372.454 2.835 0 50 FFAA CCCSc1ncc([C@H]2CC(=O)NCc3nc4ccccn4c32)cn1 65399135 RQZZZEXZGVLOLX-CYBMUJFWSA-N 353.451 2.778 0 50 FFAA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1 1427984 LTZCLWKHPQPYDE-OAHLLOKOSA-N 365.385 2.997 0 50 FFAA CC(C)[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)c1nccn1C 72129437 YCZFVJCVMQPYHG-HNNXBMFYSA-N 362.441 2.968 0 50 FFAA NS(=O)(=O)c1ccc(Cn2ccnc2-c2cccc3cccnc23)cc1 71765504 WEWDVPKWCMRIMD-UHFFFAOYSA-N 364.430 2.794 0 50 FFAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)cc3F)C2)cc1 475772362 KYUDROZWKANUQQ-CQSZACIVSA-N 357.385 2.955 0 50 FFAA O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(=O)nc2sccn12 215590189 QXJBEBXGUSEDSE-UHFFFAOYSA-N 369.324 2.585 0 50 FFAA O=c1[nH]nc(C2CCN(C3Cc4ccccc4C3)CC2)n1Cc1ccccc1 71749431 KQDODHREWBFQSW-UHFFFAOYSA-N 374.488 2.967 0 50 FFAA CC[C@@H]1CN(c2ncnc3c2CCC3)CCC(=O)N1Cc1ccccc1 71757107 PNKCQUJYSRKELH-QGZVFWFLSA-N 350.466 2.983 0 50 FFAA Nc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc(Cl)n1 363100134 WOWLOKGMEJLIOS-JTQLQIEISA-N 366.799 2.852 0 50 FFAA COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@@H](C)N)C1 237113917 NHSIMNZVWMJRDP-VXGBXAGGSA-N 355.276 2.586 0 50 FFAA Cc1cc(NC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cn2ccnc12 333676096 OMZCIFYFXIHQQD-QZTJIDSGSA-N 371.485 2.532 0 50 FFAA O=C(O)C1(Oc2ccc(Cl)cc2)CCN(Cc2ccc(CO)o2)CC1 77419459 PEDSAOSWPYCDIS-UHFFFAOYSA-N 365.813 2.924 0 50 FFAA CN(C)[C@H]1CCN(Cc2cccc(C(=O)Nc3cccc(CO)c3)c2)C1 65380583 LIPORHLTLPKIPI-FQEVSTJZSA-N 353.466 2.567 0 50 FFAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cnn2cccnc12 447649187 GSLGDHGEEIRXNL-UHFFFAOYSA-N 354.320 2.660 0 50 FFAA O=C(C[C@H](O)c1ccccc1)N1CCCN(Cc2ccccc2F)CC1 367550268 QWMGVYJYFKUBPS-FQEVSTJZSA-N 356.441 2.984 0 50 FFAA COc1ccc(F)c(CN2CCN(CCc3ccccc3)C(=O)C2)c1F 215802651 SFNQMKSVEKGYPD-UHFFFAOYSA-N 360.404 2.860 0 50 FFAA O=C(c1ncoc1C1CC1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 219890317 ACNGXLZCHISKFU-KRWDZBQOSA-N 356.426 2.628 0 50 FFAA CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1 130149339 FQJAEKICIDWBFZ-OAHLLOKOSA-N 357.389 2.580 0 50 FFAA Cc1nc([C@H]2CCCCN2C(=O)c2cn(Cc3cccc(F)c3)nn2)no1 378095861 CLIGFCYPFFYGAA-MRXNPFEDSA-N 370.388 2.524 0 50 FFAA Cc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ncn1 77338713 AAYSMOGOCRETFY-UHFFFAOYSA-N 367.501 2.691 0 50 FFAA Cc1nc(=O)c2c([nH]1)CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2 215417737 KDGMCSMCBUUAPZ-HXUWFJFHSA-N 365.477 2.980 0 50 FFAA Cc1ccc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)nc1 72436215 UUXYJXQRAMYRST-UHFFFAOYSA-N 356.378 2.621 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3cnn(C)c3)n2)cc1C(=O)O 77438275 QIHUIRBUYXXZDH-UHFFFAOYSA-N 367.409 2.610 0 50 FFAA Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)nc1 242263419 XYYYUHPOGNBVSW-ZDUSSCGKSA-N 354.410 2.624 0 50 FFAA CCC(=O)OC1(c2ccccc2)CCN(CC[C@H]2CN(C)C(=O)O2)CC1 71769284 AEVSRSRNYPRNHS-KRWDZBQOSA-N 360.454 2.772 0 50 FFAA CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 284752457 FKVYHSGGBTWDKD-ZRNYENFQSA-N 360.498 2.722 0 50 FFAA O=C(Nc1n[nH]c(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 48170786 CVRADBNULALCEN-UHFFFAOYSA-N 366.400 2.965 0 50 FFAA CCn1cnc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 48121653 VXMRJUMLSMVISL-AWEZNQCLSA-N 367.413 2.760 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2nccnc2OC)cc1)c1ccnn1C 426685271 IUFAOTBXXNWHNP-OAHLLOKOSA-N 351.410 2.767 0 50 FFAA Cc1ncsc1CCNC(=O)N1CCC[C@@H](OCc2cccnc2)C1 426661939 CDZFOYMFFOKXJV-MRXNPFEDSA-N 360.483 2.780 0 50 FFAA CCn1ncnc1[C@H](NC(=O)C(C)(C)Oc1ccccc1OC)C1CC1 426505606 CFYHNNGRDHRLMM-MRXNPFEDSA-N 358.442 2.732 0 50 FFAA Cc1ccc(CC(=O)N[C@@H]2CCOC[C@H]2OCc2c(C)noc2C)cc1 222378370 KOBDZQRYAMOASS-RTBURBONSA-N 358.438 2.633 0 50 FFAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3onc4c3CCCC4)CC[C@H]21 426700102 VNRKXVIDTSOFJO-WMLDXEAASA-N 359.470 2.663 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCCCn3ccnc3)c2)nc(N(C)C)n1 426698201 ISRWGLACPBWJRU-UHFFFAOYSA-N 364.453 2.535 0 50 FFAA Cc1nc(C)c(-c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)s1 426404424 YKPIGQFJYCQZTG-UHFFFAOYSA-N 353.451 2.895 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(F)cc1F)CC2 91306214 GGTFMOWMEYRBTC-UHFFFAOYSA-N 360.408 2.697 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCCC[C@@H]3c3cccnc3)cc2)C(=O)N1 97514261 BNCXFRAMFHHMSV-QGZVFWFLSA-N 364.405 2.505 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCCn1nccc1C1CC1)C2 95387697 YTTITCHJLVYCJE-INIZCTEOSA-N 355.438 2.527 0 50 FFAA Cc1nc(CN2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n(C)n1 95527841 MKDWGOZIHMWSIB-VQTJNVASSA-N 353.514 2.653 0 50 FFAA CN1CCc2nc[nH]c2C12CCN(C(=O)c1csc3c1CCCC3)CC2 95520687 MGJVLJKYCJTQMI-UHFFFAOYSA-N 370.522 2.969 0 50 FFAA Cc1[nH]c(=O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(C)c1Cl 97730003 GSEDLRLVJHMCSW-HNNXBMFYSA-N 359.857 2.649 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1cccc2nn(C)nc12 97654234 SVXSSBFXBNBXCA-UHFFFAOYSA-N 353.430 2.624 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cn(C)c2ccccc2c1=O 97413185 SROKPSFLGUPRSB-IBGZPJMESA-N 350.418 2.734 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 95371192 NNJIKWHFRGCUGQ-GOSISDBHSA-N 365.481 2.946 0 50 FFAA COc1ccc(-n2nc(C3CCCC3)nc2CN2CCC[C@H](O)C2)cc1 96132802 YNDFAUQCPPYDOX-KRWDZBQOSA-N 356.470 2.890 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 95505834 BMWSXCXQKDEJNZ-SFHVURJKSA-N 371.506 2.953 0 50 FFAA Cc1ncc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)[nH]1 331795382 PEPGBGAUGOCZCY-AWEZNQCLSA-N 350.825 2.905 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncncc1C(C)C)C2 95500611 TXQBMAVGVLLSBH-JKSUJKDBSA-N 369.469 2.832 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cc(C(C)C)no2)C3)cn1 244734515 NGVSGPOKUJKXJR-UHFFFAOYSA-N 367.409 2.790 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(CSC)o2)[C@H]2C[C@H](O)C2)cn1 252536882 JSICKJZUQYFHGG-PBFPGSCMSA-N 362.451 2.788 0 50 FFAA CNC(=O)c1ccc(CS(=O)(=O)N[C@H]2CCCCC23CCCC3)cc1 296553504 BZTPSZKWBVWZPP-KRWDZBQOSA-N 364.511 2.969 0 50 FFAA Cc1n[nH]c(C2CCN(CCC(=O)NCc3cccc(Cl)c3)CC2)n1 252499137 RWAFVLJVIYZCOV-UHFFFAOYSA-N 361.877 2.652 0 50 FFAA Cc1noc(CCC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)n1 183488353 FWJMJJAILNFFOS-CQSZACIVSA-N 369.343 2.930 0 50 FFAA NC(=O)c1cc(-c2cccc(C(=O)NCCN3CCCC3)c2)ccc1Cl 534587497 GKCIKUBTBAOTRN-UHFFFAOYSA-N 371.868 2.932 0 50 FFAA Cc1nnnn1CCC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 299762333 VDDMUIDGSUDZKC-INIZCTEOSA-N 355.442 2.715 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1c(C)nc(C)nc1O 299779423 RSSKHHGJLOGSJW-MRXNPFEDSA-N 371.437 2.769 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1c[nH]nc1C1CCCCC1 299802911 SDUCYIOSAMDDFV-HNNXBMFYSA-N 352.438 2.993 0 50 FFAA COc1ncnc(C)c1-c1ccc(C(=O)N(C)Cc2c[nH]nc2C)cc1 584888057 YMYBFIXDQCUDSG-UHFFFAOYSA-N 351.410 2.764 0 50 FFAA COCc1nc(CCc2c(C)nn(C)c2C)n(-c2ccc(F)cc2F)n1 670437314 WNBFDBSTHCAPGD-UHFFFAOYSA-N 361.396 2.827 0 50 FFAA COCCN1CCC[C@H](CNS(=O)(=O)c2cc3ccccc3s2)C1 670445295 NYUWZECXBAIUOQ-CQSZACIVSA-N 368.524 2.538 0 50 FFAA Cc1sc2nc(CCNCc3cccc4nonc34)nc(O)c2c1C 952871985 FWVUPUNFDHDLKP-UHFFFAOYSA-N 355.423 2.882 0 50 FFAA O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NS(=O)(=O)C1CCC(C(F)(F)F)CC1 408496786 QERATQOKWNBMAQ-ZOVKSXBRSA-N 369.405 2.511 0 50 FFAA CCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(CC)cc(=O)c3c2)cn1 184599142 GNUKDHFVXUPROC-UHFFFAOYSA-N 373.434 2.685 0 50 FFAA COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cc(C)c(Cl)s1)CC2 277011837 YCHXFBNIJSXEGK-JTQLQIEISA-N 363.888 2.674 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C)N(C(=O)c3cc(C)sn3)[C@H](C)C2)ns1 279674943 GYVDAXXSRAVYOE-AOOOYVTPSA-N 364.496 2.592 0 50 FFAA COC(=O)N1CCC([C@@H](C)NC(=O)c2cnc(-c3ccco3)s2)CC1 187439546 SISRTWDNZNPXKP-LLVKDONJSA-N 363.439 3.000 0 50 FFAA CN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 794177018 ZPHWSIIFWQQTOT-MGPUTAFESA-N 352.486 2.811 0 50 FFAA COc1ccc(-c2noc(CNC3CSCCSC3)n2)cc1OC 1506425256 OAYGYUMZEXDHHZ-UHFFFAOYSA-N 367.496 2.692 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 1772804334 MSYFMEAQVYBIGS-UHFFFAOYSA-N 354.454 2.926 0 50 FFAA CC(C)C1=NO[C@H](C(=O)N2CCCN(c3ncnc4ccsc34)CC2)C1 1772808770 AUYBZONOKZHPCQ-HNNXBMFYSA-N 373.482 2.531 0 50 FFAA CCn1ccc(-c2nc(COc3cccc(F)c3)nn2[C@@H]2CCOC2)n1 1772814900 UDUGABAZLDBGDA-CQSZACIVSA-N 357.389 2.841 0 50 FFAA CCS(=O)(=O)c1ncc(CN2CCCC2)n1CCCc1ccccc1 11819389 MAUNBPXSZZUSST-UHFFFAOYSA-N 361.511 2.905 0 50 FFAA CC(C)NCc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 12749588 JHYZNVASBYJPNO-NRFANRHFSA-N 354.494 2.983 0 50 FFAA O=C1CCCN1CCC(=O)N1CCC[C@@](CO)(CCCc2ccccc2)C1 14968021 AYMCPIMBVRNQSJ-QFIPXVFZSA-N 372.509 2.623 0 50 FFAA O=C(c1cnccn1)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 15064466 UPXXHYUECJBZFP-FQEVSTJZSA-N 372.419 2.883 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@H]2NC(=O)c1cc2cc(F)ccc2[nH]1 15079407 DJTQQRDPBIQDDF-OAHLLOKOSA-N 353.401 2.970 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 4099910 BJRDSGROVGTIMG-LJQANCHMSA-N 370.474 2.952 0 50 FFAA O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1ccccc1Br 2254324 ZKHOKALYEIGHCA-CYBMUJFWSA-N 367.199 2.614 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3ccc(C)cc3)n2)cc1OC 4998163 CNVOZGKNYQFXKR-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA COc1ccc(N2CCN(Cc3cccc4ccnn34)[C@H](C)C2=O)cc1 1857678004 QFBFSXVHIPBAOC-OAHLLOKOSA-N 350.422 2.580 0 50 FFAA CC1CCN(CC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)CC1 1857679450 VMUPOHZXLAYCDA-VWPQPMDRSA-N 356.510 2.703 0 50 FFAA Cc1c(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cnn1C 1857695674 UAADOMVUGCEILI-IEBWSBKVSA-N 369.465 2.616 0 50 FFAA Cc1nc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)sc1C 1857735739 IOVQKOLPBLQRFJ-NRTGNBEESA-N 373.478 2.767 0 50 FFAA COc1ccc(Br)cc1CC(=O)NC1CCC(C(=O)O)CC1 237115288 SYBKSFZMWCZCPB-UHFFFAOYSA-N 370.243 2.760 0 50 FFAA CN(C1CCNCC1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 237125069 ZRGDPDDXLDSIHR-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA O=C1[C@@H](Nc2ncc(Br)cn2)CCCN1c1ccccc1F 301880949 VRTMKIPNJPXCFA-LBPRGKRZSA-N 365.206 2.986 0 50 FFAA O=C(c1ccnc2ccccc12)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 222356303 IFELYEAHDDDZQY-AEFFLSMTSA-N 365.477 2.950 0 50 FFAA Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@H](N)C1 237644161 BJYYWCIIXQVMJI-LBPRGKRZSA-N 351.859 2.857 0 50 FFAA O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H](c2noc(C3CC3)n2)C1 266248452 NETPAYPKDBOTQQ-NSHDSACASA-N 369.347 2.569 0 50 FFAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccoc1CC(=O)O 911399056 MYHMFNMJFVAKMI-INIZCTEOSA-N 363.385 2.878 0 50 FFAA CC(C)c1nc(N2C[C@H]3CC[C@H]2CN3C(=O)C2(F)CC2)c2cc[nH]c2n1 1875408341 TZGYLKRKOQYKSC-QWHCGFSZSA-N 357.433 2.763 0 50 FFAA CC(C)[C@H](O)C1(CNC(=O)Nc2ccc(N=S(C)(C)=O)cc2)CC1 888239716 SCSLZEIAQZEUCN-HNNXBMFYSA-N 353.488 2.964 0 50 FFAA COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 3881666 BLGXFZZNTVWLAY-FJDMERLMSA-N 354.450 2.647 0 50 FFAA in-vitro COc1ccc2sc(-c3ncc(C(=O)N4CCC(N)CC4)cn3)cc2c1 2325796824 RKXHZYKBWSDCMH-UHFFFAOYSA-N 368.462 2.930 0 50 FFAA CC[C@H](CSc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(OC)nc1 2325826559 FQMATMAYGZPPKG-WBVHZDCISA-N 359.495 2.647 0 50 FFAA COCc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 2325866372 IWTFTSCQYCADSC-UHFFFAOYSA-N 352.434 2.740 0 50 FFAA O=C1c2ccccc2C(=O)N1c1ccc(C(=O)n2nnc3ccccc32)cc1 822978 URBFQRPZSFHBQE-UHFFFAOYSA-N 368.352 2.920 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 1003754 LNNKDCWKZRAKCA-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)N1C(=O)c2cccc3cccc1c23 2356137742 XOSGLKLVRBMMOA-AEGPPILISA-N 366.417 2.948 0 50 FFAA O=C(c1cnc[nH]1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356145311 KWDAQJGVTGDYLP-NRFANRHFSA-N 359.433 2.987 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cccc(N)n3)C2=O)cc1 2356146492 IIZPBMGEQINKLE-OAQYLSRUSA-N 364.449 2.774 0 50 FFAA CCn1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 10675245 GDNXXYWGPIIFJZ-UHFFFAOYSA-N 372.450 2.662 0 50 FFAA Cc1cc(C)cc(NC(=O)CC(=O)NCCc2cn3ccccc3n2)c1 55342177 NQOLKLJZVXNIFA-UHFFFAOYSA-N 350.422 2.639 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](CN2CCOCC2)C1 69745225 AZNWHXASISZWJN-MRXNPFEDSA-N 370.415 2.819 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(N3CCN(C)CC3)c12 23214285 KCYUPHBRQXPUQM-CYBMUJFWSA-N 373.526 2.624 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 67695564 QHSAEVBIXUVCMP-OAQYLSRUSA-N 356.441 2.512 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)c1nc(CCN)nc2ccccc12 65376491 IFXPLELYPLNMJF-UHFFFAOYSA-N 354.458 2.739 0 50 FFAA O=C(CC(F)(F)F)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 252489691 JWYRJJSYPYVEBQ-UHFFFAOYSA-N 350.362 2.798 0 50 FFAA CCCc1nnc(NC(=O)CN2CCC[C@H]2c2nc(C(C)C)no2)s1 65406455 KBJGXUQRAHSQPH-NSHDSACASA-N 364.475 2.773 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccccc32)cc1 73305072 PUJHKTSSBFQVQC-UHFFFAOYSA-N 350.422 2.780 0 50 FFAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)Cc1cc(Cl)ccc1F 328644372 ZFDXYAYCHFRMFO-GFCCVEGCSA-N 371.865 2.700 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)c2cccc(F)c2)CC1 328651091 VVMNHOQEKLJNFT-KRWDZBQOSA-N 368.474 2.635 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2ocnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72148437 HWVMYYOEXHCGIA-QXAKKESOSA-N 367.449 2.694 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 72432082 PSIBTXYIOIEUJQ-GOSISDBHSA-N 370.884 2.724 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(c2ncccc2Cl)CC1 77505434 ZBNGVKRCXBWJPV-UHFFFAOYSA-N 360.893 2.843 0 50 FFAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)cc1 331155738 KHRNMYISKDJOSP-WBVHZDCISA-N 372.490 2.969 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2ccccn2)C1 72475247 QQFOAFCEZCZSRA-QGZVFWFLSA-N 354.502 2.576 0 50 FFAA COc1ncc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1Cl 376095712 VAXJZSIEEZKRLX-BBRMVZONSA-N 360.845 2.561 0 50 FFAA O=C(NCCCc1nc2ccccc2[nH]1)C1(N2CCOCC2)CCCCC1 218950005 APTNFIGVELPYHV-UHFFFAOYSA-N 370.497 2.647 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@H](C)Sc2ccccn2)CC1 72424112 ZKEGCVIPODARNH-INIZCTEOSA-N 356.495 2.610 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC4(CC3)C[C@@H](C(=O)O)N(C)C4)cc2s1 72166602 WEXDKWFMHVTNHR-HNNXBMFYSA-N 373.478 2.616 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)Nc1ccc(F)c(F)c1)C2 72479121 HVFKVLJVFFCMEB-UHFFFAOYSA-N 364.352 2.616 0 50 FFAA CCO[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C(=O)O)c3C)cc2)C1 236893491 YBECWSANUCHOFL-MRXNPFEDSA-N 357.410 2.520 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn([C@H]3CCCNC3)nn2)[C@H]1c1cccc(F)c1 333371785 FRTNCFCPRFGQPL-RPVQJOFSSA-N 357.433 2.565 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3cnn(CC)c3)CC2)OC1=O 77323328 DQTLHFQDAODFMD-UHFFFAOYSA-N 362.474 2.910 0 50 FFAA C[C@H](C(=O)N1CCOc2ccc(Cl)cc21)n1nnc(-c2ccccc2)n1 174019024 NHCJAYSVJNIJOV-GFCCVEGCSA-N 369.812 2.980 0 50 FFAA O=C(CN1C(=O)CSc2ccccc21)Nc1ccnn1-c1ccccc1 174181073 YWLWXBCAQNVHPU-UHFFFAOYSA-N 364.430 2.950 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3nc4c(C)cccn4c3F)CC2=O)cc1 82106688 OJNXUQVLASILAB-UHFFFAOYSA-N 366.396 2.579 0 50 FFAA Cc1cccc2c1OC[C@@H](NC(=O)NCc1ccc(-n3cccn3)cc1)C2 460127843 HXPZEVMDFDTTAV-SFHVURJKSA-N 362.433 2.984 0 50 FFAA C[C@@H]1CN([C@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 263844257 JDMLCLQTZMGLSC-CXAGYDPISA-N 366.868 2.764 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)N2CCCN(C)CC2)s1 426380201 ZVYKXZBVTXLPNS-UHFFFAOYSA-N 360.483 2.666 0 50 FFAA CCc1ccccc1OC1CN(C(=O)Nc2cccc(CC(=O)NC)c2)C1 426489756 QAMUGBXKOQYVBM-UHFFFAOYSA-N 367.449 2.833 0 50 FFAA O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 226087369 CFWBQGMHJVKTNL-JTQLQIEISA-N 352.239 2.620 0 50 FFAA Cc1ccn(C[C@@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 20616971 VMGTVIHFKYHRRE-SECBINFHSA-N 371.388 2.977 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)Nc2cc(-n3cnnn3)ccc2C)c1C 96153840 JWNASNXRZNJOHE-GFCCVEGCSA-N 368.445 2.687 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@H](n3cccn3)C2)[C@@H]1c1cccc(Cl)c1 291174504 KDJBBGGXJJYXFM-BQFCYCMXSA-N 372.856 2.530 0 50 FFAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1COc2ccccc2C1 91254233 IUHCNQKRADDERH-KRWDZBQOSA-N 363.417 2.570 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)o1 91574777 FDHFTTWCRJXGCX-OAHLLOKOSA-N 366.421 2.948 0 50 FFAA Cc1ccccc1S(=O)(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1 91350981 BPTVLINNYDHAIF-UHFFFAOYSA-N 364.511 2.797 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1 91505435 INPMYUABLXWDGN-UHFFFAOYSA-N 374.448 2.595 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 95523963 VSANJTIINBRNRM-LJQANCHMSA-N 353.466 2.734 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCCn2cncn2)C1 91650835 DWAJCFXLPNQLPS-FQEVSTJZSA-N 370.453 2.658 0 50 FFAA Cc1nnc(SCCCNC(=O)Nc2ccc3c(c2)OCO3)s1 96131871 GZKXLQUBNXXNSC-UHFFFAOYSA-N 352.441 2.879 0 50 FFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCc2n[nH]c(C)c2C)C1 97360106 FIKAPYRJEANCBG-GOSISDBHSA-N 354.498 2.906 0 50 FFAA CCN1CC[C@H]2OCCN(C(=O)c3cc(C)ccc3N3CCCC3)[C@H]2C1 293897974 MMGGKXUUQUSWKF-VQTJNVASSA-N 357.498 2.530 0 50 FFAA COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2CCCCO2)CC1 95513103 NQTIFFYXKNAHEN-NRFANRHFSA-N 374.525 2.977 0 50 FFAA CC[C@@H]1CCc2c(sc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2C(N)=O)C1 239433978 YVRHSUGNLSZWEK-CDYMVBJSSA-N 372.490 2.897 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734865 NNDZPFSHAABTQD-BFCNOCSMSA-N 366.339 2.750 0 50 FFAA CCc1n[nH]c(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1Br 294244831 BDTIPROKAOZIFB-HIFRSBDPSA-N 354.248 2.518 0 50 FFAA CCc1nccn1CCC(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 244715833 LDFWNNOGDGFVKZ-PJFSTRORSA-N 363.408 2.742 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1cc(C2CC2)on1 299753319 XTYNZKQJDKFVKH-UHFFFAOYSA-N 350.321 2.947 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cn2cccn2)cc1 299743550 LGLFETURCKJNKR-KURKYZTESA-N 353.422 2.789 0 50 FFAA CCCc1nc(CNC(=O)N(Cc2cocn2)Cc2cocn2)cs1 534650430 DRTSSYLRKJCSNT-UHFFFAOYSA-N 361.427 2.984 0 50 FFAA CCCc1nnsc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 299772660 ASNZESKMRYWFGU-SNVBAGLBSA-N 364.858 2.679 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCN3CCN(C)C[C@@H]3C2)cc1 299778578 PVUFKAJTYBFHOM-OAQYLSRUSA-N 363.505 2.658 0 50 FFAA Clc1ccccc1CN1CCn2nc(CNc3cnccn3)cc2C1 299760186 SNVNPKDJJMSWMV-UHFFFAOYSA-N 354.845 2.954 0 50 FFAA CC(=O)N1CCO[C@H](CNC(=O)Nc2cccc(Cc3ccccc3)c2)C1 299769760 UKBXDKWDVJNKNC-HXUWFJFHSA-N 367.449 2.646 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCc2csc(N3CCCC3)n2)C1 670462748 BXLRKEPISQSGHG-HNNXBMFYSA-N 352.504 2.844 0 50 FFAA COc1ccc2cc([C@H](C)NC(=O)Cn3c(C)cc(C)nc3=O)ccc2c1 670470012 LGSHQTXVRKPRMV-HNNXBMFYSA-N 365.433 2.899 0 50 FFAA COc1c(F)ccc(CNC[C@H](c2ccccn2)N2CCOCC2)c1F 952977718 JKEMNEGTJSAEAZ-QGZVFWFLSA-N 363.408 2.532 0 50 FFAA COc1ccc2c(c1)[C@H](C)N(C(=O)Cn1nc(C)c(C(C)=O)c1C)CC2 952981551 IRKHMHBECMOAAQ-ZDUSSCGKSA-N 355.438 2.857 0 50 FFAA O=C(c1cccn2c(=O)[nH]nc12)N(Cc1ccccc1)C1CCCCC1 272875643 WXDHTQQLCUASKP-UHFFFAOYSA-N 350.422 2.998 0 50 FFAA CCCc1ncc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)s1 275233572 AZAJPRZMXQSKFX-NSHDSACASA-N 350.444 2.816 0 50 FFAA Cc1c(C(=O)Nc2cccc(-c3nnnn3C)c2)cnn1Cc1ccccc1 192632432 MEIYPGSBOLTUDH-UHFFFAOYSA-N 373.420 2.683 0 50 FFAA CCN(C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C1CCCCC1 1529181846 QGWSHEACKSQTKV-UXHICEINSA-N 371.481 2.694 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 3017495 UUICWAIZVJRHLU-UHFFFAOYSA-N 354.362 2.800 0 50 FFAA CC1=CC2(CCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)CC2)OCC1 1704336705 KOQFVEJKDKGYLI-UHFFFAOYSA-N 369.465 2.866 0 50 FFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 1134479 LBRTTYYMFJEZOZ-UHFFFAOYSA-N 368.842 2.608 0 50 FFAA Cc1ccc(CN2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)s1 11996416 GYWUPEGTZWDERF-INIZCTEOSA-N 373.526 2.796 0 50 FFAA COc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3OC)n3nnnc3N2)cc1 13124605 IVBVNCLHSRBQBU-HOTGVXAUSA-N 367.409 2.845 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 13324207 UCPIZNSYIVNTFI-AWEZNQCLSA-N 371.359 2.561 0 50 FFAA CC(C)(C)OC(=O)C(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 4009290 LLVNCNWXGASCCO-OAHLLOKOSA-N 364.364 2.748 0 50 FFAA Cc1cc(Br)cc2cc(C(=O)N[C@@H]3CCNC(=O)CC3)[nH]c12 1857531363 NJOIDRJFUYUGJA-LBPRGKRZSA-N 364.243 2.637 0 50 FFAA C/C=C/CCCC(=O)N1CCC[C@]2(C1)CN(C(=O)c1ccoc1)CC[C@H]2O 1857685772 SWWZBVKOKQTPET-JDSQYFAJSA-N 374.481 2.842 0 50 FFAA CC(=O)N1CC[C@@]2(C1)Cn1c(nnc1-c1cc(Cl)ccc1Cl)CO2 1857705270 ADDGSYPOFMSYPG-MRXNPFEDSA-N 367.236 2.773 0 50 FFAA CC[C@]1(C(=O)N2CCC3(CCC(=O)N3)CC2)C[C@H]2CC[C@@H]1N2CC=C(C)C 1857707672 GISZMIPWBKNNCN-FGSXEWAUSA-N 373.541 2.857 0 50 FFAA Cc1ccc(CCC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857725165 LEUJZRZHBOLEKG-UEXGIBASSA-N 356.466 2.512 0 50 FFAA COCCN1C[C@H](Cn2ccnc2-c2ccc3c(ccn3C)c2)CC1=O 1857730464 SQYUQAPFLANDNU-OAHLLOKOSA-N 352.438 2.537 0 50 FFAA CC(C)n1cccc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328622635 IOLNNCSVWPEHGD-SFHVURJKSA-N 369.469 2.673 0 50 FFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 128056216 VSNHVVUFOZPJJZ-INIZCTEOSA-N 369.469 2.688 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 237640518 NOHAQMGOMLDNSG-QGZVFWFLSA-N 358.394 2.950 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc21)N1CCC(N2CCCCC2=O)CC1 132660587 DLONNYMSUQGVRU-MRXNPFEDSA-N 371.481 2.739 0 50 FFAA COc1ccc(Nc2ccccc2C(=O)N2CCNC(=O)C[C@H]2C)cc1 371049987 SUMOKMZLFUCTEP-CQSZACIVSA-N 353.422 2.789 0 50 FFAA c1coc([C@@H](CNc2cc(N3CCOCC3)ncn2)N2CCCCC2)c1 265439082 PNKORKAPXSYKFL-MRXNPFEDSA-N 357.458 2.545 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)[C@@H]1[C@H]3C2 1875258086 OXADSCHPQBALSK-OBNKQFAMSA-N 366.465 2.746 0 50 FFAA COCC1(c2ccccc2)CN(c2ncnc3c2cnn3C(C)(C)C)C1 1875266012 HIZJLGTWTWEDQR-UHFFFAOYSA-N 351.454 2.986 0 50 FFAA O=C(NC1(CO)CCOCC1)c1cc(-n2cccc2)cc(C(F)(F)F)c1 1875274319 MKJFOIMFIUOJMQ-UHFFFAOYSA-N 368.355 2.767 0 50 FFAA Cn1cc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc3cnccc3c2)cn1 1875312560 OQFVFZZKBYLEFL-QFBILLFUSA-N 370.478 2.658 0 50 FFAA Cc1cccc(C[C@@]2(C)CCCN2CC(=O)N2CCC3(CC2)OCCO3)c1 879388611 RXIXUWUNZONVKK-OAQYLSRUSA-N 372.509 2.758 0 50 FFAA O=C(Cn1nnc(-c2ccccc2)n1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 894386360 BNSFUBJFRUHRMB-BBRMVZONSA-N 365.359 2.531 0 50 FFAA O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 710648 IDARNSYMSMAPFI-UHFFFAOYSA-N 364.492 2.505 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CCCN[C@@H](c2ccccc2)C1 2325783221 DXBWDQNIMDCVEB-HXUWFJFHSA-N 361.449 2.753 0 50 FFAA CC(C)CCCC(=O)N(C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325866941 FOIJGHWDUCLWOU-AYHJJNSGSA-N 351.535 2.650 0 50 FFAA CC(C)(C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCNC1 225534388 RFEFKRHZZBFSAT-HUUCEWRRSA-N 358.404 2.881 0 50 FFAA O=C(c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)N1CCCCC1 101902276 JRCRLEDEDRKABT-CWLKWCNXSA-N 352.434 2.848 0 50 FFAA COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OC 53666706 UPWQKCPUOBLXET-UHFFFAOYSA-N 354.450 2.704 0 50 FFAA C[C@H]1Cc2cc(CNC(=O)C(C)(C)NC(=O)c3cccs3)ccc2O1 65373264 GHAQYUFANXXPMZ-LBPRGKRZSA-N 358.463 2.896 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9418930 KELPOGCLGVLCHE-TZMCWYRMSA-N 368.359 2.920 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CCCCn3nnnc32)c1C 55386671 DJVKTRAEGMFJGH-OAHLLOKOSA-N 365.441 2.636 0 50 FFAA COc1cccc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c1 20367719 UNAZAGDXHLFOBZ-UHFFFAOYSA-N 353.466 2.760 0 50 FFAA Cc1cc(F)cc2[nH]c(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)cc12 116741581 BUWAMCQHTRLDIU-MRXNPFEDSA-N 363.458 2.997 0 50 FFAA COc1ncccc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC[C@H]1C 55211453 CUGWVWIJZKLNCX-CYBMUJFWSA-N 368.437 2.820 0 50 FFAA C[C@@H](C(N)=O)N(C)Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1 67789147 DCYOAEPGXQNNCZ-LBPRGKRZSA-N 368.462 2.854 0 50 FFAA CCCc1nc(C)c(CNC(=O)CCNC(=O)c2ccc(F)cc2)s1 65396955 FZRBILBGEVAQRU-UHFFFAOYSA-N 363.458 2.979 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(CN2CCOCC2)on1 20775727 NZYGKWQZTFDSJR-RBUKOAKNSA-N 369.465 2.963 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(C)s1 77288127 PQVUDRPMMAXRTQ-OAHLLOKOSA-N 370.540 2.921 0 50 FFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccccc1 172342567 IJXSDYFQFYMRJE-AWEZNQCLSA-N 366.343 2.689 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(C(=N)O)c2)n1C 328632556 LKDMFJGUMLVLRP-QGZVFWFLSA-N 354.454 2.995 0 50 FFAA C[C@H](NC(=O)N1CCSC[C@H]1c1cnn(C)c1)[C@H]1COc2ccccc21 253280672 VPVAZQUKGGJZDX-XKQJLSEDSA-N 372.494 2.784 0 50 FFAA Cc1cc2c(cc1CN1CCCN(Cc3ccccn3)CC1)OCCO2 216053709 JLTXIXBXPUGZKB-UHFFFAOYSA-N 353.466 2.869 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(F)cc2)cc(-n2cnc(C)c2C)n1 72437209 RTTFZDFXFCKUSA-UHFFFAOYSA-N 368.416 2.569 0 50 FFAA Nc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)ccn1 72425631 XQZYKQJRNHCGOV-BBTUJRGHSA-N 351.450 2.956 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)CCCc3cnn(C)c3)cc2)n1 77540977 FOQZAPGMCUHGHL-UHFFFAOYSA-N 351.454 2.927 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ncc(C(C)(C)C)s1 448107219 FQOUWVKRWYIKBK-QGZVFWFLSA-N 372.494 2.777 0 50 FFAA CCCN(CCC)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71419324 LLZBLEMJADWHOK-INIZCTEOSA-N 361.486 2.624 0 50 FFAA CC(C)OC(=O)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77536058 QLWMULRIZQMYQK-UHFFFAOYSA-N 361.490 2.933 0 50 FFAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C 285286504 UNZNAQVMMDLIAU-XNRPHZJLSA-N 359.474 2.635 0 50 FFAA O=C(CCOc1ccccc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 220205851 NBHGXYOYNZQMIF-UXHICEINSA-N 355.434 2.946 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H](c3nccn3C)C3CCOCC3)cc2o1 286875019 OAWJIWLIOPHSDL-KRWDZBQOSA-N 354.410 2.767 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 175887911 OOVBQDVDIBXDIT-NVXWUHKLSA-N 357.433 2.835 0 50 FFAA CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 47988786 IVSIYNYMZXSZBC-GFCCVEGCSA-N 353.492 2.774 0 50 FFAA CCOC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H]3CCN(C)C3)c2)nc1 426530341 AVLWBOQFLCXXNZ-SFHVURJKSA-N 367.449 2.701 0 50 FFAA Nc1nc(CCNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 426493214 PNCIOWKSYLBMFF-CQSZACIVSA-N 366.874 2.704 0 50 FFAA O=S(=O)(CCC1CCC1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 289930005 RHCIXWWIPMRORU-SFHVURJKSA-N 355.475 2.573 0 50 FFAA Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1 20606396 XCAROMLUNNSIAQ-ZBFHGGJFSA-N 358.492 2.785 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)Nc3cccc(-c4cnco4)c3)C2)OC1=O 95497060 DCXLZVKZTXMILE-GOSISDBHSA-N 356.382 2.790 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@H]1C(=O)O 92036841 XJPHWTVXJCAPPA-LSDHHAIUSA-N 374.462 2.638 0 50 FFAA CSCc1noc(CNC(=O)Nc2cc(C)nn2C2CCCC2)n1 96150905 XFXJVSSXMFNKKJ-UHFFFAOYSA-N 350.448 2.874 0 50 FFAA COCCOc1ccccc1NC(=O)N[C@@H](C(=O)N(C)C)c1ccccc1 97756548 NWFHJWNFHJYSGI-GOSISDBHSA-N 371.437 2.663 0 50 FFAA COCCOCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 91426057 SOCBTHXZUQWALC-UHFFFAOYSA-N 361.360 2.738 0 50 FFAA O=C(Nc1cccc2[nH]nnc12)N[C@H]1CCCN(Cc2ccc(F)cc2)C1 97717024 LBFJYBABFYZFLU-HNNXBMFYSA-N 368.416 2.883 0 50 FFAA CN(C)C(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95372278 HTRXQDQEVFXQEN-IBGZPJMESA-N 355.526 2.809 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)O1 237540643 PUHCAAQJQWXZCP-ZLENFMNRSA-N 362.401 2.767 0 50 FFAA O=C(c1cccc(-c2nc3ccccc3n2CCO)c1)N1CCSCC1 426518219 FVGUSOQNAPRXNG-UHFFFAOYSA-N 367.474 2.885 0 50 FFAA O=C(Nc1ccc(-n2ccnc2)cc1)N1CCC(N2CCSCC2)CC1 95511990 GMYPKGLGPXYAJD-UHFFFAOYSA-N 371.510 2.917 0 50 FFAA COCCc1nc(Cn2c(C)nc3ccccc32)n(CC(F)(F)F)n1 96160650 SAEIQPWYIUCNNR-UHFFFAOYSA-N 353.348 2.736 0 50 FFAA CN1CCCN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CC1 95373787 DCLUNXCPELUXMB-UHFFFAOYSA-N 352.413 2.918 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CCCC3)cc2)on1 95366367 OAUWGZSLXMAUOS-APWZRJJASA-N 355.438 2.571 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCc3[nH]cnc3C1)O2 95379175 NTZXNFYFRDDJSG-FQEVSTJZSA-N 355.438 2.709 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc2c(c1)oc(=O)n2C 95507809 YNSCNINSCSUYPI-UHFFFAOYSA-N 369.425 2.787 0 50 FFAA CCCNS(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccon2)cc1 96132085 UXTADJCIPRJWOP-GFCCVEGCSA-N 366.443 2.588 0 50 FFAA COc1cncc([C@@H](NC(=O)CSc2ccccc2)[C@H]2C[C@@H](O)C2)c1 244873534 WRWGPXVXKUTOCE-OHNRDTAOSA-N 358.463 2.811 0 50 FFAA Cc1c(C(=O)N2CCS(=O)(=O)c3ccccc3C2)cnn1C1CCCC1 185024008 IETMVFAEQYYETN-UHFFFAOYSA-N 373.478 2.736 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3coc(-c4ccccc4)n3)C2)n[nH]1 274946353 OYMVBVXFGLALHO-OAHLLOKOSA-N 366.425 2.857 0 50 FFAA CCCc1cn(CC2CCN(C(=O)c3cnn(CCC)c3C)CC2)nn1 48194554 BBHTWWVWRBDPKE-UHFFFAOYSA-N 358.490 2.698 0 50 FFAA CN1CCN(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 299794866 LCDGWLADGLTCHO-OAQYLSRUSA-N 351.494 2.724 0 50 FFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)NC1Cc2ccccc2C1 1940196327 CIQKTJGLHZYMQN-UHFFFAOYSA-N 374.440 2.862 0 50 FFAA O=C1C[C@H](C(=O)N2CC(OCc3cccc(F)c3)C2)C2(CCCCC2)O1 299769638 SRILXBGJXPHSPN-QGZVFWFLSA-N 361.413 2.819 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)N(C)CC2(CO)CCOCC2)cc1 299773911 FYPLFPMUJYXURS-UHFFFAOYSA-N 372.469 2.742 0 50 FFAA C[C@@]12C[C@@H](c3ccccc3O1)n1c(s/c(=C\c3cccs3)c1=O)=N2 390834875 KYIQZTBLJUPMEO-VLEIINIZSA-N 354.456 2.521 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCCC[C@@H]1CN1CCOCC1)CO2 824750922 GSIGAVCNUOZTHQ-LJQANCHMSA-N 358.482 2.658 0 50 FFAA CCOc1ccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565515414 MTVUOXPGYKBVQA-MJGOQNOKSA-N 370.493 2.877 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1574822510 WDDARMFCXGVAJQ-XPTSAGLGSA-N 363.719 2.532 0 50 FFAA O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cn(Cc2ccccn2)nn1 279330721 AUXVLDKFTUSEQY-NVXWUHKLSA-N 365.412 2.927 0 50 FFAA O=C(O)C1CCC(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 194389749 QBJADATZTYNYDD-UHFFFAOYSA-N 358.438 2.932 0 50 FFAA Cc1c(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)ccn1C 195300915 GGXPZRMQUGHPIU-OAQYLSRUSA-N 369.509 2.851 0 50 FFAA Cc1ccc(C[C@@H](C)NC(=O)CN2C(=O)CCOc3ccccc32)s1 737646236 IJPDADJCGDUNIR-CYBMUJFWSA-N 358.463 2.919 0 50 FFAA Cc1cnc(O)n1-c1ccc(C(=O)OCc2nnc(-c3ccco3)o2)cc1 783095989 YEUVKWRAFRMDLA-UHFFFAOYSA-N 366.333 2.886 0 50 FFAA COc1ccc2nc(C)c(C(=O)N3C[C@@H](C)OC4(CCOCC4)C3)cc2c1 791074860 VTDZOIDZIKHIMB-CQSZACIVSA-N 370.449 2.962 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCCCN(C)C1CCCC1 1506400906 GVACEDXMXRKFLQ-UHFFFAOYSA-N 354.516 2.855 0 50 FFAA c1coc(CN(CCN2CCOCC2)Cc2cc(-c3ccncc3)no2)c1 1506398172 HWWLJIHSPHBQGN-UHFFFAOYSA-N 368.437 2.664 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@H](O)c2cccs2)CC1 1506417517 MMFFDZQHBGONEU-IBGZPJMESA-N 359.447 2.992 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(-c2nnn(C)n2)cc1 1506423843 XHSMGVKESKTOPZ-UHFFFAOYSA-N 358.405 2.698 0 50 FFAA CN(CC(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1)Cc1ccc(F)cc1 1529161753 NZEDLBWDACRJNX-TZRIAGMCSA-N 361.505 2.835 0 50 FFAA Cc1ccncc1C(=O)N1CCCN(C(=O)Cc2cccc(Cl)c2)CC1 1704299557 RLCDHLIPSLPCAD-UHFFFAOYSA-N 371.868 2.961 0 50 FFAA COc1ccc(C)cc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 1127738 HCBBHNFFRJAIIL-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA CCOc1cc(CN2CCC[C@H]2C2(O)CC2)ccc1OCCn1ccnc1 1772816373 OYXXPJMMBVVBBZ-FQEVSTJZSA-N 371.481 2.850 0 50 FFAA COCCCNc1nc2nonc2nc1N1CCCC[C@H]1c1ccccn1 12075390 KJZREKHRXRBNCO-AWEZNQCLSA-N 369.429 2.588 0 50 FFAA C[C@H](Cc1cccnc1)NC1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 12166560 NQSXCSLLJBJWJB-QGZVFWFLSA-N 366.509 2.973 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(c1cnccn1)C2 12593588 SHPUIQKCCQIRSQ-NRFANRHFSA-N 350.466 2.928 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1 19565311 VMTWCIXBECCBFO-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA O=C(Cc1ccccc1)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19832561 IOXWBMLEUDAWKM-JSGCOSHPSA-N 365.688 2.810 0 50 FFAA CCC[C@H](CC)CCN1C(=N)N(S(=O)(=O)c2ccc(C)cc2)CC1=O 19893637 ZATMRPGCMMJVTQ-HNNXBMFYSA-N 365.499 2.979 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@H](C)O1 19939374 UYCQSPPQIKEXDZ-GJZGRUSLSA-N 366.889 2.819 0 50 FFAA COC(=O)C[C@H](c1ccsc1)c1c(O)n2cc(Cl)ccc2nc1=O 205974907 YPQLDMLVLCRIRO-LLVKDONJSA-N 364.810 2.810 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3cccc(C)c3)n2)cc1OC 4998164 QGKUVWDSXSFOAZ-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA CCOCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1775277 NFVMGWKOORQLNW-RYUDHWBXSA-N 364.467 2.724 0 50 FFAA CCN1CCN(c2cc(C)nc3c(-c4ccccc4OC)cnn23)CC1 5347838 LAACRLDCJNRKQM-UHFFFAOYSA-N 351.454 2.855 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)CCc3cc(Cl)no3)C[C@H]12 1857672928 JWFXVGDOVKRFTJ-GWIFVGGISA-N 366.845 2.720 0 50 FFAA O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329103112 NOZJGFNPBLNQLN-WNRNVDISSA-N 367.497 3.349 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)Oc3cc(C)ccc32)c1 332246024 WRGAYBCMGNFVIO-ZDUSSCGKSA-N 363.435 2.988 0 50 FFAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 34875001 FBKNYLGPAZLJGL-AWEZNQCLSA-N 351.399 2.576 0 50 FFAA in-vitro COc1ccc(C2=NN(C(=O)[C@@H]3C[C@H]3C(=O)O)[C@H](c3ccco3)C2)cc1 1875388467 CBCXGGWRAKQZPC-FMKPAKJESA-N 354.362 2.687 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3CC4(CCC(CO)CC4)C3)nn(C)c21 1875300314 XSJGHAPRVZYQDA-CGPGXKHDSA-N 361.486 2.503 0 50 FFAA O=C(N[C@H]1CCC[C@@H](OC(F)F)C1)c1cccc(N2CCOC2=O)c1 888092697 GIHODJVOIDBKTE-GXTWGEPZSA-N 354.353 2.923 0 50 FFAA COc1cc(CC(=O)N(C)c2ccc(N3CCOCC3)cc2)cc(OC)c1 2325767762 USEWWGPTDYYUTM-UHFFFAOYSA-N 370.449 2.746 0 50 FFAA NS(=O)(=O)C1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 2325771250 NPKMKASCZQNTRL-NRXISQOPSA-N 354.472 2.571 0 50 FFAA CN1C[C@@](C)(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCC1=O 2325791530 LNCABJJZDBCQJH-HNNXBMFYSA-N 365.231 2.522 0 50 FFAA O=C(c1cc2c(nc1O)CCCC2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356157061 CNXRIOXUQWIFSQ-HXUWFJFHSA-N 352.438 2.509 0 50 FFAA COC(=O)[C@@H]1CC12CCN(C(=O)c1cnc(C)nc1-c1ccccc1)CC2 2356169314 YWXDZAGRLWCKKZ-KRWDZBQOSA-N 365.433 2.867 0 50 FFAA COc1cc(N2CCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)ncn1 461155470 JTGBVNJOGTWMDV-CYBMUJFWSA-N 360.845 2.591 0 50 FFAA COc1ccccc1N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 55543660 SSGVXFFWIUCKQI-UHFFFAOYSA-N 358.438 2.740 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)NC1CCN(c2ccc(F)cc2)CC1 53243713 QOHCRTRNYFUENZ-UHFFFAOYSA-N 369.396 2.519 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c(=O)n2n1 102759303 QTZYBKLVCVEMPV-MRXNPFEDSA-N 354.385 2.838 0 50 FFAA Clc1cccc(/C=C/c2nn3c(CN4CCOCC4)nnc3s2)c1 57524445 MCJABZIHOIQBKS-SNAWJCMRSA-N 361.858 2.842 0 50 FFAA O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCN2CCC[C@H]2C1 247801698 WGENWDXSKSEBOZ-LSDHHAIUSA-N 359.297 2.903 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)c1cccc(NCC(=O)O)c1)N(C)C 55414323 QQTOFPKBNFLASG-HNNXBMFYSA-N 361.467 2.586 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)cc2c1 55252313 ZCXSLTFNQWIMNZ-PMACEKPBSA-N 353.466 2.523 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)c2)o1 135435575 OTYWRUMJEWELJX-GOSISDBHSA-N 365.389 2.964 0 50 FFAA COc1cccc(SCC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)c1 117558373 BLFDFPONIHGVSX-SFHVURJKSA-N 358.463 2.733 0 50 FFAA CCN(C[C@H]1CCN(C)C1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67758353 YBHROXXANWVDKJ-AWEZNQCLSA-N 360.433 2.542 0 50 FFAA CN(C)C(=O)CN1CC=C(c2cnn(-c3nccc4ccccc34)c2)CC1 67790374 FLMXACABQYCFJX-UHFFFAOYSA-N 361.449 2.598 0 50 FFAA CN(Cc1noc(-c2cc3ccccc3c(=O)n2C)n1)C(=O)c1ccccc1 350102106 WCFNGLACLLODMR-UHFFFAOYSA-N 374.400 2.861 0 50 FFAA CCn1nc(C)c(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)c1C 22852990 HRVXYOHABUEVGL-HXUWFJFHSA-N 362.562 2.969 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCNC[C@@H]2C)cs1 125977691 YOGKZMSLLLFKHV-NPQIQWPPSA-N 357.479 2.864 0 50 FFAA CN(C(=O)c1cc(CN2CCC(O)CC2)on1)[C@@H]1CCCc2ccccc21 67674935 MYFXWDFWJVXNFF-HXUWFJFHSA-N 369.465 2.781 0 50 FFAA CCC(CC)N1CCN(Cc2cc(OC)cc(OC)c2)[C@H](CCO)C1 39364609 XJSVODVSYHMKSY-GOSISDBHSA-N 350.503 2.761 0 50 FFAA Cc1c(C)n(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2ccccc12 35828008 XGDHTSXIZDTDNW-UHFFFAOYSA-N 365.433 2.949 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2 77391588 SLYINFRNAJDSEH-UHFFFAOYSA-N 365.518 2.864 0 50 FFAA CC(C)c1ccc(OCn2ccc(C(=O)NC3CCN(C)CC3)n2)cc1 2798741 AXAHEBXQHLOJRX-UHFFFAOYSA-N 356.470 2.867 0 50 FFAA COc1cnc(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)cc1O 72120692 NHSOBCZEZKGGTK-LJQANCHMSA-N 355.482 2.935 0 50 FFAA COc1ccc(/C=C/c2nnc([C@H]3C[C@H](OC)CN3C(C)=O)o2)cc1F 328655784 YRIVWNIDPZJYLS-KSLFURFDSA-N 361.373 2.696 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCc2scnc2C)n1C 328621266 HRAQZSJPHFSHNR-OAHLLOKOSA-N 360.483 2.794 0 50 FFAA CCc1ccc(NC2=N[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2)cc1 5794756 GROKGZOEYSGDHK-INIZCTEOSA-N 354.385 2.683 0 50 FFAA CCC1CCC2(CC1)N=C(O)N(CC(=O)N1Cc3ccccc3CO1)C2=O 329358893 BPCLTKNKJRQOHK-UHFFFAOYSA-N 371.437 2.556 0 50 FFAA O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ncc[nH]2)C1 329375014 NSCXCJLQDGVUPI-SJORKVTESA-N 352.438 2.626 0 50 FFAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@H](C)n2cccc2)CC1 72419847 WGEUQGLHJPIMDC-INIZCTEOSA-N 356.422 2.882 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 77525274 KOECEBAKQLGTEV-NSHDSACASA-N 368.505 2.778 0 50 FFAA CCCn1ccnc1CN1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1 72407842 PJTOXVQXMGUTAE-UHFFFAOYSA-N 359.474 2.689 0 50 FFAA Cn1nccc1C1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 124230533 BXFIEBVDSCUQLX-UHFFFAOYSA-N 353.401 2.765 0 50 FFAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(C(=O)CN2CCCC2)C1 72147883 KPDAIXDVJICRLE-AWEZNQCLSA-N 364.873 2.866 0 50 FFAA CCNc1ncc(C(=O)N2CCO[C@H](CCCc3ccccc3)C2)cn1 71754077 MNZMPPFDNOBLBG-GOSISDBHSA-N 354.454 2.772 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 77375797 VVHNIPZQBLRQAA-AWEZNQCLSA-N 350.422 2.565 0 50 FFAA CSc1nc(C(=O)NCCc2csc(-c3cnccn3)n2)cs1 219337044 JHCKAQRXPNOPRO-UHFFFAOYSA-N 363.493 2.751 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1CCN([C@H]2CCc3ccccc3C2)CC1 72119557 PVQAPGFJKQJXQL-SFHVURJKSA-N 360.461 2.878 0 50 FFAA CC[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nc(C)no1 72407399 OJKBFZXAFIFXEB-CYBMUJFWSA-N 350.386 2.680 0 50 FFAA CCCCCN(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71707882 HVSAIVRHZJBEQD-MRXNPFEDSA-N 361.486 2.624 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2=O)c1 77487575 HFMCLGMCSOBCFS-UHFFFAOYSA-N 374.444 2.978 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc1OCC1CCOCC1 284988980 YFGVXZIPBXSLOD-OAHLLOKOSA-N 370.453 2.662 0 50 FFAA OC1CC(c2cc(N3CCN(C/C=C/c4ccccc4)CC3)ncn2)C1 222774252 GYYKFSMPFZDXJG-QPJJXVBHSA-N 350.466 2.550 0 50 FFAA O=C(c1cccc(OC(F)F)c1)N1CCCC[C@@H]1CN1CCOCC1 82137440 ZEKXMNDOQDOKFK-OAHLLOKOSA-N 354.397 2.615 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1cn2c(n1)SCC2 426414808 UUMFZXNCIOVZRR-LBPRGKRZSA-N 374.466 2.663 0 50 FFAA C[C@H]1CN(C(=O)NCC2CCN(CCc3ccccc3)CC2)C[C@@H](C)O1 426434187 ZSDHXOHHWFOBFL-HDICACEKSA-N 359.514 2.760 0 50 FFAA Cc1ccc(CN(Cc2ccncc2)C(=O)NCCN2CCCC2=O)s1 426552214 BNLCKPWFOMJVFO-UHFFFAOYSA-N 372.494 2.786 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20616015 AENPOSZWMWZVRD-UHFFFAOYSA-N 371.388 2.934 0 50 FFAA Cc1cnc(CN2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)[nH]1 91781210 DIUAUZXQLRYULN-UHFFFAOYSA-N 353.470 2.518 0 50 FFAA CCCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91680871 GNHLXBPPWZFDAR-QGZVFWFLSA-N 373.497 2.628 0 50 FFAA O=C(NCCc1cn2ccsc2n1)[C@H]1CCCN(Cc2ccco2)C1 95390778 RILHZUKYLGQDHM-AWEZNQCLSA-N 358.467 2.560 0 50 FFAA CN1CCC(C2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)CC1 92020667 ULVXZPUXYKSFQO-UHFFFAOYSA-N 358.408 2.633 0 50 FFAA c1ccc2c(c1)Cc1c(ncnc1NCc1nnc3n1CCCCC3)CO2 95509834 CQIIYVJZHZXUBE-UHFFFAOYSA-N 362.437 2.890 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cccc(Cn2cccn2)c1 91988238 WUXIBWRXQUQNCK-UHFFFAOYSA-N 359.389 2.911 0 50 FFAA CC[C@@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(OC)cc1 180865166 FNMDBSLJTLIFFJ-SJLPKXTDSA-N 354.454 2.764 0 50 FFAA O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc(C2CC2)[nH]c1=O 91595020 HHYJQGXPSUOZNG-IAGOWNOFSA-N 353.422 2.515 0 50 FFAA O=C(O)c1cccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)c1 95510952 XBERYYRZDODCDC-UHFFFAOYSA-N 368.408 2.904 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(Cc1cccc(O)c1)C2)N1CCCC1 91381702 YEJPLAWIMPVCFU-UHFFFAOYSA-N 368.481 2.550 0 50 FFAA COc1ccc(Oc2ccc(NC(=O)NC[C@]3(O)CCCNC3)cc2)cc1 97784709 KRCKKKRANNRPTG-FQEVSTJZSA-N 371.437 2.724 0 50 FFAA COCCNC(=O)N1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1 95528910 CIVBDBMTGMWFPS-INIZCTEOSA-N 369.465 2.638 0 50 FFAA Cc1nc(O)c(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(C)c1Cl 253535611 JETPQFVEOBQACV-BFQNTYOBSA-N 361.829 2.694 0 50 FFAA CS(=O)(=O)c1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 298307203 GFRMWQVACDWYER-IBGZPJMESA-N 373.474 2.676 0 50 FFAA Cc1ncn(CCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)c1C 252485684 HBQZMAQZZRQASU-LJQANCHMSA-N 358.461 2.982 0 50 FFAA O=C(O)c1ccccc1OCCN1CCC(NC(=O)C2CCCCC2)CC1 183918585 CZBDIMHDJJQSSR-UHFFFAOYSA-N 374.481 2.925 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252550014 RZIYKIRCBIEVQZ-YRNRMSPPSA-N 372.490 2.947 0 50 FFAA O=C(c1ccccc1NCc1ccccn1)N1CCC[C@@]2(CCNC2)C1 67674659 BGEXZHIMNMFCEF-NRFANRHFSA-N 350.466 2.909 0 50 FFAA CC(C)c1nc(CCNC(=O)CN2CCOc3ccccc3C2)cs1 299798823 USJMSHKDMRTNHH-UHFFFAOYSA-N 359.495 2.820 0 50 FFAA Cc1ccc2nc(SCC(=O)NCCSc3nc[nH]n3)cc(C)c2c1 827844507 UPBRCDVXGXQMGD-UHFFFAOYSA-N 373.507 2.970 0 50 FFAA Cc1ccc(Cn2nc(-c3cccc(F)c3)nc2C2(C(N)=O)CC2)cc1 825176671 WEFSGXSZWMVJCH-UHFFFAOYSA-N 350.397 2.958 0 50 FFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)NCCCn1c(C)cccc1=O)CC2 584887125 BKZPXQYEBVBFML-MRXNPFEDSA-N 369.465 2.884 0 50 FFAA CC1(C)C(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)C1(C)C 1565508516 YMJZMATWWOOBQA-CABCVRRESA-N 355.482 2.827 0 50 FFAA CC(C)[C@H]1CN(CCC(=O)NCc2ccc(Cl)cc2)C[C@@H]1C(=O)O 1565513843 XURSNEQBWNKXAJ-CVEARBPZSA-N 352.862 2.635 0 50 FFAA C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CCO1 273576483 OUTGPIUTYVUXGB-NZSAHSFTSA-N 358.482 2.542 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2F)o1 275543926 ZSVGEVFXHFYDDM-AWEZNQCLSA-N 351.353 2.614 0 50 FFAA Cn1cc([C@@H]2CN(C(=O)Nc3cccc(C(C)(F)F)c3)C[C@H]2CO)cn1 279006115 HESYPWOVMKJZML-BBRMVZONSA-N 364.396 2.772 0 50 FFAA O=C(C[C@]1(O)C(=O)Nc2cc(Br)ccc21)c1cccs1 170620020 AFYSQHDEMRSXCR-CQSZACIVSA-N 352.209 2.923 0 50 FFAA O=C(NCC1CCC2(CC1)OCCO2)c1cnc(S)n1-c1ccccc1 170650267 UYHAYWNLTVMMEP-UHFFFAOYSA-N 373.478 2.824 0 50 FFAA CC(=O)Nc1nc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cs1 188803254 MAHSOLAYGCUTAI-UHFFFAOYSA-N 372.450 2.802 0 50 FFAA Cc1ccc(-c2csc(NC(=O)CN3CCCN(C)CC3)n2)s1 1506417286 PGYVPMCNZYNBAU-UHFFFAOYSA-N 350.513 2.756 0 50 FFAA COc1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cc1OC 884739 MUMJQUMXEUZWNO-HQPKTYMTSA-N 355.390 2.673 0 50 FFAA CC[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(C(=O)c2ccccc2)C1=O 5476720 UOPIPCOLXDJSSQ-FQEVSTJZSA-N 350.374 2.595 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O 11874111 RREBYIYLRWELFD-MRXNPFEDSA-N 356.875 2.503 0 50 FFAA COC[C@H](C)Nc1ncnc2sc(C(=O)N3CCSCC3)c(C)c12 12099990 ATYGZBDEQSVNKL-JTQLQIEISA-N 366.512 2.636 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)N1 12313990 KUUJVHPHCPVCCL-KRWDZBQOSA-N 361.401 2.658 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@@H](CCCO)C3)no2)c1 12373308 FWVXKUXLWUSPBX-HNNXBMFYSA-N 374.437 2.887 0 50 FFAA CSCCCNCc1ccccc1OC[C@@H](O)CN1CCCCC1 12712050 CMSCDIIQSXQZLA-SFHVURJKSA-N 352.544 2.755 0 50 FFAA COc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccc(F)cc3)C1=O)OCO2 14009300 MGRQYBGEQPDLOA-MKMNVTDBSA-N 370.336 2.656 0 50 FFAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccccn5)n4)c3CO2)cc1 169769371 BJBRKQXDQRTRGX-INIZCTEOSA-N 360.377 2.970 0 50 FFAA CCOc1cc(-c2noc(CCC(=O)NCc3ccco3)n2)ccc1OC 4488208 JUNLIYGKGSLCJK-UHFFFAOYSA-N 371.393 2.986 0 50 FFAA Cc1cccc(N2C(=O)S[C@@H](N(CC(N)=O)c3cccc(C)c3)C2=O)c1 1318006 ATZZWUIKBMPOME-GOSISDBHSA-N 369.446 2.821 0 50 FFAA CO[C@@H](OC(=O)Cn1c(=O)sc2ccccc21)C(Cl)(Cl)Cl 5511866 GEDYDDGKQNLUHZ-JTQLQIEISA-N 370.641 2.949 0 50 FFAA O=C(NCc1cccnc1)c1cnc2scc(-c3ccccc3)n2c1=O 6757290 IPAMBYWNTZWSTF-UHFFFAOYSA-N 362.414 2.748 0 50 FFAA CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 2879850 OUVMSMWSCOXNLI-CQSZACIVSA-N 374.462 2.533 0 50 FFAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCc2cc(-c3ccccc3)ccc21 331391233 QBSDQIFZRBCKKV-AWEZNQCLSA-N 358.463 2.523 0 50 FFAA O=C(CN1CCC[C@H]1C(=O)O)N[C@H](Cc1ccccc1)c1ccccc1 262613515 CGYIKPPFNADDOF-MOPGFXCFSA-N 352.434 2.636 0 50 FFAA CCc1nc(CC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cs1 497846858 CGEWFTJSMMFRDJ-SFHVURJKSA-N 373.522 2.746 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C)nc2OC)C3)o1 952886176 IOFNTKOVMLIALO-DJJJIMSYSA-N 356.426 2.538 0 50 FFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1nc2c(s1)CCC2 1875265846 GOJJCVKNQPGNDI-SWLSCSKDSA-N 373.478 2.776 0 50 FFAA NC[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1 1875298675 JHXFKHUXNLLCJN-HKUYNNGSSA-N 372.440 2.535 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 1875369503 SADUZCSXKHQWFT-UHFFFAOYSA-N 373.522 2.911 0 50 FFAA C=CC(=O)N1CCN(C(=O)C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 1875381406 UBOJEELDUYJQLV-NHYWBVRUSA-N 371.264 2.662 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)/C=C/c1sccc1Br 1875311183 PGZAJYBNSLKUFU-CYIXCGRSSA-N 356.241 2.988 0 50 FFAA COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(CO)c(C(=O)O)c1)C2 1875313799 VIIVWSBVNIQELJ-AWEZNQCLSA-N 355.390 2.629 0 50 FFAA COc1ccccc1C1(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)CC1 1875314654 KUWPANHUASUKFH-KGLIPLIRSA-N 369.465 2.913 0 50 FFAA Cc1nc(=NC2[C@@H](C)CN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]2C)s[nH]1 1875406529 GPQNSVRTEMJVQI-UWVGGRQHSA-N 358.458 2.599 0 50 FFAA C[C@@H]1CCCN(c2nc3nonc3nc2Nc2ccc3c(c2)OCO3)C1 677621 IAXVPOAFNWXWSA-SNVBAGLBSA-N 354.370 2.721 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)c1ccccc1N1CCOCC1 2100545215 KAGSFCVEXKQVNC-UHFFFAOYSA-N 363.421 2.571 0 50 FFAA COc1ccc2cc(C(=O)N[C@@](C)(CC(=O)O)c3ccncc3)n(C)c2c1 2325769378 BOWZXDMBRFHEFH-FQEVSTJZSA-N 367.405 2.702 0 50 FFAA C[C@@H](Cc1cncc2ccccc12)C(=O)N[C@@H](C(=O)O)C1(O)CCCCC1 2325803163 UPDSWHGQSBHEJO-KSSFIOAISA-N 370.449 2.678 0 50 FFAA O=C(O)c1cnc(C2CCN(C(=O)C[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)nc1 2325810091 LEYUWNGZWSUICZ-YCPHGPKFSA-N 355.438 2.873 0 50 FFAA COC(=O)c1cccc(NC(=O)c2c(C(F)F)nc3cnccn23)c1F 2325819005 MFAULFMMDLBZTL-UHFFFAOYSA-N 364.283 2.845 0 50 FFAA CCOCc1nc(-c2nn[nH]c2Cl)n(Cc2ccc(F)c(F)c2)n1 2325876252 OOKATXQOGKZUKO-UHFFFAOYSA-N 354.748 2.580 0 50 FFAA CC(=O)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl 1232164 XUJWZSDVLHECBV-SECBINFHSA-N 356.662 2.511 0 50 FFAA CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583144 MLHXMAJLOUQRJN-SFHVURJKSA-N 354.406 2.540 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1 2356135353 AJSJBCVATOBSTK-QFIPXVFZSA-N 371.525 2.819 0 50 FFAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)OCCc2ccsc23)C1 2356146857 XWQXWTZCKAIXLU-OAHLLOKOSA-N 350.484 2.843 0 50 FFAA Cc1cc(NC(=O)C(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCC1=O 109726103 GFUYOIHJOUAUGR-UHFFFAOYSA-N 373.359 2.977 0 50 FFAA Cc1ccc(-c2cn(C3CCN(c4ncccc4C(N)=O)CC3)nn2)cc1 55167218 BZVSKQZNPAXXHN-UHFFFAOYSA-N 362.437 2.589 0 50 FFAA O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cc[n+]([O-])cc1 225759420 WMAPUFRVQVETRM-FCHUYYIVSA-N 373.456 2.718 0 50 FFAA O=C(CCc1c[nH]cn1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280678634 DLSXCPLVYBVRTP-WFASDCNBSA-N 353.344 2.696 0 50 FFAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCCc2nc(-c3cccnc3)no2)c1 55284530 VUXFDASYRPXNLK-HNNXBMFYSA-N 366.421 2.875 0 50 FFAA Cc1cnc(N2CCN(Cc3cnc(NC(C)C)nc3)CC2)c(Cl)c1 67934685 WFHYGFJHHWNHBL-UHFFFAOYSA-N 360.893 2.976 0 50 FFAA Cc1ccc(C[C@@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)cc1 100571920 OKHBOMYQMSPXLW-QGZVFWFLSA-N 351.402 2.884 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)c1nc(O)nc2ccccc12 20149155 BJNJHZPCOLFEDL-UHFFFAOYSA-N 353.382 2.648 0 50 FFAA C[C@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(OC(F)F)cc1 248497639 LRCGVERLMOUCHE-MNRXQERYSA-N 370.421 2.919 0 50 FFAA Cc1cnn([C@H](C)CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)c1 67713984 IJGMVRQMHTZUJF-CYBMUJFWSA-N 357.389 2.624 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(N(C)Cc3noc(CC(C)C)n3)c12 67642237 WTEODBFWHKCYKS-UHFFFAOYSA-N 361.427 2.916 0 50 FFAA O=C(O)c1cccnc1CN1CCC[C@H]1c1nc(-c2ccccn2)no1 65408461 UDXOEKQGFBZIJO-HNNXBMFYSA-N 351.366 2.562 0 50 FFAA C[C@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2cn(C)nn2)c1 67803123 VNWIBICYQHNZBR-OAHLLOKOSA-N 364.453 2.525 0 50 FFAA CC(=O)Nc1ccc(-c2cn(C[C@@H]3COc4ccccc4O3)nn2)cc1 67654226 QOZYTAKLIXCZRN-MRXNPFEDSA-N 350.378 2.744 0 50 FFAA O=c1n(Cc2cccc(Cl)n2)nc([C@H]2CCCNC2)n1-c1ccccc1 67804591 CQXJJOXRGSELAU-AWEZNQCLSA-N 369.856 2.598 0 50 FFAA O=C(CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)NCc1cccnc1 61720501 MFLDSHISLOJKKE-NRFANRHFSA-N 372.428 2.965 0 50 FFAA CC(C)[C@@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)Cc1ccccc1 252536943 JVPMGCYGWINNNY-QGZVFWFLSA-N 360.479 2.579 0 50 FFAA O=S(=O)(NCc1ccn(C2CCCC2)n1)c1ccc2c(c1)CCCO2 329093872 BBDJVKPHDGDMJP-UHFFFAOYSA-N 361.467 2.802 0 50 FFAA C[C@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C[C@H](C)N1 153936808 IDKGHAHPUUMVKF-BAMWUGHESA-N 351.450 2.883 0 50 FFAA COc1ccc(OCCS(=O)(=O)Nc2c(C)noc2C2CC2)cc1 126930730 OINYZVVDRATOHA-UHFFFAOYSA-N 352.412 2.690 0 50 FFAA COC(=O)c1cccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 77520670 BMWBHHQKAKZESR-NRFANRHFSA-N 356.466 2.840 0 50 FFAA N[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)C[C@H]1c1ccccc1F 333254267 HLZIWINUNMOKPX-DOTOQJQBSA-N 356.397 2.554 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2c1C 71615076 PHQMOMOWMUDIPR-UHFFFAOYSA-N 371.462 2.616 0 50 FFAA CCn1cc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 72163593 IJODJWFXCBGENI-BHDDXSALSA-N 366.509 2.974 0 50 FFAA COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1 128757539 DKRDZQQCSDVXHC-UHFFFAOYSA-N 368.368 2.586 0 50 FFAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C 371931974 PWXWYQWGNXUHSN-RDTXWAMCSA-N 369.509 2.834 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1C 39436744 OQISGCJJANWZFL-HXUWFJFHSA-N 374.504 2.728 0 50 FFAA Cc1ccc2c(c1)c(CNc1nc(-c3ccncc3)nc3c1CNC3)nn2C 72165628 MHIBHRSUFYARIL-UHFFFAOYSA-N 371.448 2.949 0 50 FFAA Cc1cc(C2CCC2)nc(NC[C@H](c2cccnc2)N2CCOCC2)n1 71756880 RPIYUDVBYDKIFW-LJQANCHMSA-N 353.470 2.933 0 50 FFAA CN(C)C[C@H]1COCCN(Cc2cc(CN3CCCCC3)cs2)C1 215124118 IFLGXFMOSCGLFZ-GOSISDBHSA-N 351.560 2.744 0 50 FFAA CC(C)N(C)c1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)cn1 239722584 CDOGEIXODGPXCE-LJQANCHMSA-N 352.482 2.989 0 50 FFAA COc1ccc([C@@H]2CC[C@@H](C(=O)O)N2S(=O)(=O)c2ccsc2)cc1 285121875 NGHKXAHBQYZKME-GJZGRUSLSA-N 367.448 2.736 0 50 FFAA CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC2CCC(C)(C)CC2)c1 174652330 KZXISCBBMMMGFB-CYBMUJFWSA-N 367.515 2.924 0 50 FFAA Cc1cc(C(=O)NCC2(CN3CCOCC3)CC2)c2ccc(F)cc2n1 82145891 PRADIUVXBDVYJQ-UHFFFAOYSA-N 357.429 2.525 0 50 FFAA CC(C)c1n[nH]c2c1CN(C(=O)[C@@H]1CCC(=O)N(C3CCCC3)C1)CC2 82039504 XSOUYHZYCXPWDK-CQSZACIVSA-N 358.486 2.599 0 50 FFAA COC(=O)c1ccsc1NC(=O)N1CCN(CCc2ccccc2)CC1 17076481 SINDILYQZOTMDP-UHFFFAOYSA-N 373.478 2.927 0 50 FFAA C[C@@H](O)Cc1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48218416 KLNRSDFXFJMDJW-MRXNPFEDSA-N 362.518 2.801 0 50 FFAA COCCN1CC[C@H](CNC(=O)c2cccc(-c3ccc(O)cc3F)c2)C1 426618626 ZNCBXOOFMWFYCS-OAHLLOKOSA-N 372.440 2.896 0 50 FFAA CC(=O)N1CCCn2nc(CNc3cccc(C(F)(F)F)n3)cc2C1 82096353 UJLLGEIHUXFPBB-UHFFFAOYSA-N 353.348 2.661 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCc2ccccc2C1 49546780 BXYOVCRJJBMBNB-UHFFFAOYSA-N 351.431 2.557 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)Cc1ccccc1OCc1ccccc1 223279148 SNANQHLZOQVFDM-UYAOXDASSA-N 355.434 2.728 0 50 FFAA C[C@H]1Cc2cc(-c3nccn3Cc3nnnn3-c3ccccc3)ccc2O1 82139311 OXOQIXUYKNATMD-AWEZNQCLSA-N 358.405 2.898 0 50 FFAA COCC[C@H]1CN(c2nc(C)nc3c2Cc2ccccc2OC3)CCO1 97642085 XNTALSOAQXGHGR-INIZCTEOSA-N 355.438 2.510 0 50 FFAA CN1CC[C@]2(CCN(C(=O)c3cccc(NC(=O)c4ccco4)c3)C2)C1 292639490 WOCNUTNUNXTDDC-FQEVSTJZSA-N 353.422 2.700 0 50 FFAA COc1ccc(-c2ccc(C(=O)NC[C@H]3CN(C)CCO3)cc2)cc1F 426361956 OKPGSOZTPUDRRQ-KRWDZBQOSA-N 358.413 2.562 0 50 FFAA C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(=O)N1CCCCC1 180984934 KOFWXWCOJOPCRA-CYBMUJFWSA-N 368.416 2.743 0 50 FFAA CC(C)c1ccc([C@H](CCO)NC(=O)Cn2[nH]c3ccccc3c2=O)cc1 97694715 GPJJXULDNAGIJU-SFHVURJKSA-N 367.449 2.693 0 50 FFAA CCc1ccccc1OC1CN(C(=O)[C@@H]2CN(C)c3ccccc3O2)C1 97729470 RXEKSGCUXACQIR-FQEVSTJZSA-N 352.434 2.736 0 50 FFAA CCNc1ncc(C(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)cn1 91770177 GVVRYRFEEJHMLI-GOSISDBHSA-N 370.453 2.738 0 50 FFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccn[nH]2)cc1 95499950 CCAOUDIZCOTGRX-QGZVFWFLSA-N 357.458 2.651 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)N3CCCC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95383269 PMROGJAHZRCQAD-XUVXKRRUSA-N 355.482 2.773 0 50 FFAA O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccc2nsnc2c1 96299982 UXQOXMPFQUBDAH-UHFFFAOYSA-N 373.507 2.509 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCN(c3ccnc(C)c3)CC1)CO2 97785310 ICYUFORRWFFINS-UHFFFAOYSA-N 351.450 2.997 0 50 FFAA Cc1cc2c(cc1NC(=O)N1CCC(Oc3ncccn3)CC1)OCCO2 96162691 AHQANDPZXHBWCZ-UHFFFAOYSA-N 370.409 2.632 0 50 FFAA CC1(C)OC(C)(C)c2c1ncn2Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 244633346 GBGZJINXKXZOAQ-HAQNSBGRSA-N 356.474 2.563 0 50 FFAA O=C(NC1CCN(C(=O)C2CCCC2)CC1)[C@H](O)c1ccc(Cl)cc1 244724524 MVWMRBOIWONBKF-QGZVFWFLSA-N 364.873 2.671 0 50 FFAA O=C(CCn1nnc2ccccc21)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244620030 FKNVNWBODLMLQN-FHSNZYRGSA-N 356.451 2.511 0 50 FFAA O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCc2ccccc21 244724436 MUAVCTYUCDBDEN-UHFFFAOYSA-N 354.425 2.698 0 50 FFAA O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1csc([C@@H]2CCCO2)n1 182421881 IFCUKNAXVRBDKA-ZDUSSCGKSA-N 360.370 2.623 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@H](CO)c3ccccc3)n[nH]2)cc1OC 252509840 YWPPSDZYWPPNCQ-QGZVFWFLSA-N 367.405 2.557 0 50 FFAA O=C1NCCN(Cc2cc3ccccc3[nH]c2=O)[C@H]1c1ccccc1Cl 183506949 MTGTWFQRBOWTIE-SFHVURJKSA-N 367.836 2.855 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCN3CCCC3)n2)cc1 534587305 WMRZHHRBCIHHSV-AWEZNQCLSA-N 373.457 2.543 0 50 FFAA CC(C)Cn1cncc1CNC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 534647339 UXQGYTTWORZFQN-INIZCTEOSA-N 369.469 2.739 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc(-c2cccc3ccnn23)cc1 534631800 OZBJHZIGHSQVEN-UHFFFAOYSA-N 364.405 2.573 0 50 FFAA COc1ccc(CC2=NO[C@H](CNC(=O)[C@H](OC)c3ccccc3)C2)cc1 299786214 PQAYUDSMVLMDNE-VQTJNVASSA-N 368.433 2.887 0 50 FFAA Cc1cc(F)ccc1CC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 299790180 BSDWAUIEFMEHNH-ZWKOTPCHSA-N 371.408 2.782 0 50 FFAA CCn1cc(CNC(=O)c2ccc(-c3ncc(F)c(OC)n3)cc2)c(C)n1 584892344 FNIUEVPULHBTAF-UHFFFAOYSA-N 369.400 2.746 0 50 FFAA CSCc1noc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)n1 1565512695 MBJVJRORPXTEQV-HOCLYGCPSA-N 372.494 2.669 0 50 FFAA CC(C)c1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)cn1 1565527013 QUUJALIYDLKLDH-WBVHZDCISA-N 371.510 2.680 0 50 FFAA CC(=O)N1CCN(C(=O)CN[C@H](C)c2ccc(Cl)c3ccccc23)CC1 185385587 YZZOIBMVWDYGID-CQSZACIVSA-N 373.884 2.835 0 50 FFAA COc1ccc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)c(OC)c1OC 952987685 GAOADRFPWCGWHW-HNNXBMFYSA-N 374.437 2.700 0 50 FFAA Cc1nnc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)s1 185418440 GNSXHRCJOPKJMB-NSHDSACASA-N 367.272 2.618 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)ccn1 273932630 WFEIRVBMGGMXOM-BHYGNILZSA-N 360.454 2.859 0 50 FFAA Cc1nscc1C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 190572574 WBKKHBFLWQFBED-CYBMUJFWSA-N 350.513 2.811 0 50 FFAA O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1coc(C2CCC2)n1 193956372 VNDQTGIBSRUMMY-GOSISDBHSA-N 355.438 2.745 0 50 FFAA CCc1cnc(CN(C)C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)s1 194796095 GONPJWJPLRPJMZ-ZIAGYGMSSA-N 374.510 2.986 0 50 FFAA NC(=O)[C@@H]1CC=CC[C@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 1506415920 DSNJRMJUADFRGG-WOJBJXKFSA-N 373.460 2.844 0 50 FFAA Cc1cc(NCCCN2CCC[C@@H](C(N)=O)C2)c2cc(F)cc(F)c2n1 1529171795 BYUGIOWPCOUSNU-CYBMUJFWSA-N 362.424 2.821 0 50 FFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704353003 IGBNDWUUUNCETR-BEFAXECRSA-N 363.417 2.776 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 780648 SAVDYQPWLWJBGJ-HNNXBMFYSA-N 352.390 2.889 0 50 FFAA CN1CCC[C@@H]1C(=O)N1CCCN(C(=O)c2csc3ccccc23)CC1 1772701315 DUBYMRMTFAXKRX-QGZVFWFLSA-N 371.506 2.670 0 50 FFAA O=C1C[C@@H](c2nnc3n2-c2ccccc2COC3)CN1Cc1ccccc1 1772807303 MAPFVGKQRCZDNU-QGZVFWFLSA-N 360.417 2.814 0 50 FFAA CC(=O)Nc1cccc(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)c1 12057638 GQAJKJDQPXXAOY-LJQANCHMSA-N 356.397 2.868 0 50 FFAA O=C1CCCCN1CCCC(=O)N1CCO[C@@H](CC2CCCCC2)C1 12594788 QNHIVBZLZSZDGX-SFHVURJKSA-N 350.503 2.977 0 50 FFAA COc1cccc(CCN2C(=O)CC[C@H]2CCNCc2ccccn2)c1 14999308 YZEUHQXHGWIZCE-IBGZPJMESA-N 353.466 2.804 0 50 FFAA Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)c1 16650909 UMWQEGHMDKBZHD-UHFFFAOYSA-N 364.449 2.966 0 50 FFAA CC(C)(C)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 19228875 BNZJYKADXHVJCL-UHFFFAOYSA-N 368.485 2.682 0 50 FFAA CCOC(=O)N1CCN(C[C@@H](O)COc2cc(C)ccc2C(C)C)CC1 19867756 PLSWHJDULMKPBA-QGZVFWFLSA-N 364.486 2.632 0 50 FFAA CC(C)c1ccc(-n2ccc3nc(N4CCOCC4)ncc3c2=O)cc1 19974151 VPWCWUZTNIGRNJ-UHFFFAOYSA-N 350.422 2.741 0 50 FFAA O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6701565 ASHAMBPHPBMHJT-UHFFFAOYSA-N 358.463 2.519 0 50 FFAA Cc1n[nH]c(C)c1CN1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857693576 CLJCIXFDWUOADG-UHFFFAOYSA-N 361.467 2.850 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(CN)CC1 237485163 ABUWXXONBADIJH-SNVBAGLBSA-N 359.239 2.553 0 50 FFAA O=C([C@@H]1CCCC[C@H]1c1cccc(Cl)c1)N1CC[C@@](O)(c2cnn[nH]2)C1 868178179 WIBZDCAZOBDFQJ-FCEWJHQRSA-N 374.872 2.852 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C)O[C@H]2CCC[C@H](C)C2)C1 952852895 OAUUZNIOIRQSRU-RHMLRGBNSA-N 351.447 2.650 0 50 FFAA CN(C[C@@H](O)CN1CCC(c2nccc(-c3ccccc3)n2)CC1)C1CC1 952892573 OQPUPNPGAZEHNT-HXUWFJFHSA-N 366.509 2.778 0 50 FFAA O=C(C[C@@H]1OCc2ccccc21)NS(=O)(=O)Cc1c(F)cccc1F 1875289349 KXVDHYXCKNWLAX-INIZCTEOSA-N 367.373 2.572 0 50 FFAA O=C([C@H]1CCc2nnc(-c3ccccc3)n2C1)N1CC=C(c2cccnc2)C1 1875286010 KQWHRVHUKCTAFF-IBGZPJMESA-N 371.444 2.828 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)[C@@H]1CCOc3ccc(Cl)cc31)C2 1875259999 WCEGDDLAMRIPLH-CYBMUJFWSA-N 360.845 2.963 0 50 FFAA C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875328053 WBSKEPVENOEJQM-XJKSGUPXSA-N 361.417 2.603 0 50 FFAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cc3ccccc3c(O)n2)C1 1875395629 HELKUAMACBBWIZ-AFMDSPMNSA-N 373.478 2.807 0 50 FFAA CC(C)n1cnc(C(=O)NCC[C@@H]2[C@@H](C)CCCN2c2ncc(F)cn2)c1 1875302252 HBKGORAHLAKOFH-WMLDXEAASA-N 374.464 2.818 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@H](C2CC2)[C@H]1c1nnc(O)n1C(C)C 1875401725 QBSHNNURUKWKMP-HIFRSBDPSA-N 370.457 2.615 0 50 FFAA Cc1ccccc1[C@H](C)CC(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 888098834 WHQFOTLWWLFSOF-CQSZACIVSA-N 354.454 2.717 0 50 FFAA Cc1cc2ncc(CN3CCC(C(=O)N(C)c4ccccc4)CC3)cn2n1 2325719929 WMTLXIMTLOMODZ-UHFFFAOYSA-N 363.465 2.913 0 50 FFAA CCO[C@@H](C(=O)NC[C@@H](C)NC(=O)c1ccc(C(F)F)cc1F)C1CC1 2325793869 KGWZBCOZPZFIPP-MEBBXXQBSA-N 372.387 2.813 0 50 FFAA O=C1CC[C@@H](CN2CC=C(c3cccc(Br)c3)CC2)C(=O)N1 2325801442 IOHALUSZELXWGA-AWEZNQCLSA-N 363.255 2.591 0 50 FFAA CO[C@@H]1CN2CCC[C@@]2(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1 2325805380 DIXVEDNXPRMRMF-ICSRJNTNSA-N 354.454 2.681 0 50 FFAA O=C(Cc1cccc2c1CCNC2)Nc1cccc(Cn2ccccc2=O)c1 2325856372 MTDXRPWIMQVICY-UHFFFAOYSA-N 373.456 2.724 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc(C)no2)cc1 2325890064 ZXLIMZFCRRVOMB-INIZCTEOSA-N 354.410 2.894 0 50 FFAA COc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1OC 636659 LQKNJEUIJXRSJC-UHFFFAOYSA-N 356.407 2.655 0 50 FFAA COc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Cl)cc2)cc1 1087375 PHGJVAZEXGQHQB-MRXNPFEDSA-N 351.811 2.809 0 50 FFAA Cc1cc(NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)c(O)nc1C 2356138057 GFZZMSNKJDQJCN-UHFFFAOYSA-N 370.388 2.616 0 50 FFAA CC(C)=CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCOCC2)cc1 2356165183 XKFSIZREBAOHMR-SFTDATJTSA-N 369.509 2.778 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCCC[C@H]1CCN1CCCC1 102845872 GSGLNWVCGKDPOQ-INIZCTEOSA-N 362.543 2.893 0 50 FFAA COc1cccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)c1OC 104393862 BOQIVBYHWOTKLB-GOSISDBHSA-N 350.503 2.619 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccccc3)C2=O)cc1 100819822 WTBAPSQGSAOFRO-MRXNPFEDSA-N 354.431 2.999 0 50 FFAA Cc1c(-c2ccnc(N3CCCCC3)n2)cnc2nc(-c3cccnc3)nn12 54201967 BNZWAHKNTCVKSF-UHFFFAOYSA-N 372.436 2.942 0 50 FFAA CCc1nccn1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 77407606 OUEMWJKCOGGNFP-UHFFFAOYSA-N 355.417 2.819 0 50 FFAA CCn1c(CC2CCN(Cc3ccc([C@H]4CCCCO4)o3)CC2)n[nH]c1=O 65452439 JGOJQRQKKNKVOD-QGZVFWFLSA-N 374.485 2.881 0 50 FFAA Cc1noc(-c2cccnc2N2CCC3(CC2)C[C@@H]3c2nnc(C)o2)n1 363263443 VNSJJIGGPZKRPY-CQSZACIVSA-N 352.398 2.906 0 50 FFAA COCc1ccc(C(=O)N2CCN(Cc3cc(C)cc(C)c3)C(=O)C2)o1 77455549 OBPMYRQGXCBHRY-UHFFFAOYSA-N 356.422 2.527 0 50 FFAA O=C(CCn1c(S)nc2ccccc2c1=O)NCC1(C2CC2)CCC1 120678780 UMEJIOUAQKLUJV-UHFFFAOYSA-N 357.479 2.772 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)cc1C 77397560 IQSLRBXVICAMNN-FQEVSTJZSA-N 370.493 2.778 0 50 FFAA CC(C)N(C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C(C)C 71681898 GKUGQZYKNKYNDK-INIZCTEOSA-N 361.486 2.621 0 50 FFAA Cc1nn([C@@H](C)c2nn3c(C4CC4)nnc3s2)cc1Br 32092225 ASXIWVVKDFADBC-ZETCQYMHSA-N 353.249 2.940 0 50 FFAA Cc1nc2ccc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)cn2n1 253432868 PGBJASDDJNWZTK-UHFFFAOYSA-N 360.439 2.934 0 50 FFAA COCc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)o1 72431478 XLQKKLVRHXKPEK-UHFFFAOYSA-N 357.435 2.998 0 50 FFAA O=C(N[C@@H]1CCOC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 12714243 OVOMDPAGMACKRY-GOSISDBHSA-N 369.465 2.648 0 50 FFAA COc1cccc(CN2CCN(C(=O)CCCc3ccccc3)CC2=O)c1 77301730 FOZJOKNPSQZWFG-UHFFFAOYSA-N 366.461 2.889 0 50 FFAA CCn1c(C)ccc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)c1=O 215195106 RSLGWUUWKGFEDF-IBGZPJMESA-N 368.481 2.529 0 50 FFAA CCOC(=O)COC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 328590616 KMZDVSBJHUVQJP-JTQLQIEISA-N 357.200 2.764 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1CC(=O)OC12CCCC2 77485847 VPSYIGXQTYBAKL-QGZVFWFLSA-N 353.422 2.707 0 50 FFAA COc1ccc(C(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)cc1O 72170174 ZPBXKNPPEXMFCR-HXUWFJFHSA-N 352.390 2.527 0 50 FFAA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)cn1 328641494 XZIFCVGVBUMJKI-QGZVFWFLSA-N 350.415 2.512 0 50 FFAA CC[C@H](O)CNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72463429 AANUUEJQMQDMJB-AWEZNQCLSA-N 360.889 2.982 0 50 FFAA CC(=O)c1cnc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)s1 125241698 HGWAWFYFGAKNLD-CQSZACIVSA-N 357.435 2.518 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3cccc(F)c3)CC2)cn1 72447152 NSGREQRPCNBJKC-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA COc1ccc2c(c1)[C@H](C)CN(C(=O)c1cnc(C3CC3)nc1N)CC2 377000630 FTTHLTBIYFUUNZ-GFCCVEGCSA-N 352.438 2.747 0 50 FFAA C[C@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1cccn1 77534846 NVWXEUBBGAYFRI-QGZVFWFLSA-N 352.482 2.536 0 50 FFAA Cc1nn(CC(=O)NC[C@H](c2cccnc2)N2CCCCC2)c(C)c1C 216344661 CSNNJNGQGKAQOU-LJQANCHMSA-N 355.486 2.547 0 50 FFAA C[C@]12CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@H]1C2(F)F 333398937 YKXQYNHZSHBETI-PWSUYJOCSA-N 367.320 2.674 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)no1 44698206 XVGFCGPOSMZDIE-ZDUSSCGKSA-N 355.316 2.527 0 50 FFAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1C[C@@H](O)CN1 237534941 QUIZVTDJLVCMFC-CUOATXAZSA-N 365.886 2.672 0 50 FFAA O=C(Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O)NC1CC1 77342130 VWOZOXFKHNFNFF-UHFFFAOYSA-N 368.824 2.633 0 50 FFAA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(O)nc(C(C)C)c1 129008451 VWGXDEFOHWDIEM-GOSISDBHSA-N 353.422 2.532 0 50 FFAA COc1ccc2c(ccn2CC(=O)Nc2nnc([C@H]3CCCO3)s2)c1 40268564 AHUWDHBQFDKVHT-CQSZACIVSA-N 358.423 2.992 0 50 FFAA COc1ccc(Nc2nc(C(=O)N3CC[C@@](C)(C(=O)O)C3)cs2)cc1 449143999 IILBGBRHEHOGAM-QGZVFWFLSA-N 361.423 2.832 0 50 FFAA CC(C)CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82157001 IYHFUQSPNVCNTP-OAQYLSRUSA-N 357.498 2.901 0 50 FFAA Cc1nc([C@@H](C)NC(=O)N2CCCN(c3ncccn3)CC2)c(C)s1 426493060 UXYDRTMJERZORK-GFCCVEGCSA-N 360.487 2.533 0 50 FFAA Cc1nc(C2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc(=O)[nH]1 82121585 ORWWWAPAWMWXAU-UHFFFAOYSA-N 350.422 2.590 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 220493839 LMPJISFGRRFGIN-INIZCTEOSA-N 355.438 2.793 0 50 FFAA COc1ccc(CCCC(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 82136704 KMRFHHBZLQRJNK-UHFFFAOYSA-N 352.434 2.893 0 50 FFAA CCN1CCC(CCNC(=O)N(CC)Cc2noc(C3CCC3)n2)CC1 426652066 SIEOLMHHOHSYGM-UHFFFAOYSA-N 363.506 2.991 0 50 FFAA C[C@H]1CNC(=O)CCN1C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 95511822 TZZDAERHYUMTFO-LBPRGKRZSA-N 367.380 2.985 0 50 FFAA Cc1nc(CCS(=O)(=O)c2ccccc2)n(Cc2ccc(F)cc2)n1 96152298 WJWYNSDIZGURCJ-UHFFFAOYSA-N 359.426 2.790 0 50 FFAA CN1CCCC[C@@H]1CCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426388049 VHDNMOGYEZOXPF-TYOLEZHBSA-N 370.541 2.901 0 50 FFAA COC(=O)c1cnc2c(c1)n(Cc1cncs1)c(=O)n2C1CCCCC1 95383130 VTHPRMILHDSAQN-UHFFFAOYSA-N 372.450 2.995 0 50 FFAA Cn1ncnc1CCN1CC(c2ccccc2)(c2ccccc2)CCC1=O 91737982 JWBHKSXYMQUFNL-UHFFFAOYSA-N 360.461 2.966 0 50 FFAA Cc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)o1 92098058 BWJDMASUSVSRNU-UHFFFAOYSA-N 367.457 2.534 0 50 FFAA COc1ccc(CNC[C@@H](O)CN2CCCC2)cc1OCc1ccccc1 237176399 YBPHWEIRAVYIOO-HXUWFJFHSA-N 370.493 2.821 0 50 FFAA CC(C)COc1ccc(-c2cc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)[nH]n2)cc1 92038127 OZPUNFDKBPVGBY-MSOLQXFVSA-N 368.481 2.921 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91746006 VRRMZAUKQRGBHK-FQEVSTJZSA-N 358.486 2.760 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)C2CCN(C3CCN(C)CC3)CC2)c1 97757945 CIFGQIUCWYDRNB-OAQYLSRUSA-N 371.525 2.775 0 50 FFAA Cc1ccc([C@H](CNc2nccc(-c3ccccn3)n2)N2CCOCC2)o1 97797236 XBJKHVORKJTEAQ-SFHVURJKSA-N 365.437 2.925 0 50 FFAA CCN(CC)S(=O)(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 91643969 BVHVTOGTGMQAJB-KRWDZBQOSA-N 360.483 2.697 0 50 FFAA CCc1csc(CCNC(=O)[C@@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1 91974023 FJQYZSHPFMOYDC-IFXJQAMLSA-N 365.543 2.895 0 50 FFAA O=C(c1ccc(-n2cccn2)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 244741928 NZGKOMCNECGXPD-FQEVSTJZSA-N 368.481 2.589 0 50 FFAA C[C@@H](C(=O)NNc1ccc2ccccc2n1)n1nnc(-c2ccccc2)n1 181148931 XHZPYFXRPOKSDR-ZDUSSCGKSA-N 359.393 2.593 0 50 FFAA Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)n1 244873258 WMRYCFLWBGTESH-AWEZNQCLSA-N 360.487 2.504 0 50 FFAA COC(=O)c1cn(CCCn2ccc3ccccc32)cc2c(=O)[nH]nc1-2 263588795 YJGJUGSRUHSBSL-UHFFFAOYSA-N 350.378 2.508 0 50 FFAA Cc1ccc2ncc(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)c(O)c2c1 299794787 LLOSREJADUTGNU-INIZCTEOSA-N 369.465 2.622 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)CSc1cn(C)c2ccccc12 299803007 UBRGETUWEBQKMV-UHFFFAOYSA-N 362.495 2.518 0 50 FFAA O=C(NCc1ccc(-c2ccccc2)o1)N1CCC(N2CCOCC2)CC1 584891706 VTAQNCJQEZOHDE-UHFFFAOYSA-N 369.465 2.953 0 50 FFAA CNC(=O)[C@H]1CCCN1C(=O)c1cccc(-c2ccc3oc(O)nc3c2)c1 584903372 YPFWPSDCYHOTBV-MRXNPFEDSA-N 365.389 2.551 0 50 FFAA CCNC(=O)c1cccc(NC(=O)c2ccc(Cn3cccn3)o2)c1C 952975132 OGFQIOSIJQSDPF-UHFFFAOYSA-N 352.394 2.835 0 50 FFAA COC(=O)c1cccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1N 170619904 YMOGUZIPXIZRIT-NSHDSACASA-N 360.797 2.899 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)o1 275370271 NWKUTUCCXTZBSG-INIZCTEOSA-N 352.394 2.955 0 50 FFAA CCc1ccccc1S(=O)(=O)NC(=O)C[C@H]1OCCc2ccccc21 786656111 ZTWPBHLVPOJOOR-QGZVFWFLSA-N 359.447 2.758 0 50 FFAA CC(C)(C)OC(=O)n1c(B(O)OC(C)(C)C(C)(C)O)cc2ccccc21 200313893 MHVCEZLBSATGPC-UHFFFAOYSA-N 361.247 2.678 0 50 FFAA COc1cccc([C@H]2CCN(c3nc(C)c(C)cc3C(N)=O)C2)c1OC 1529162130 WRKKXVLBZNLXQZ-AWEZNQCLSA-N 355.438 2.808 0 50 FFAA CCCc1nc(C(=O)N2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)cs1 1529167759 OEGJCIIHFALFOP-FXAWDEMLSA-N 374.506 2.524 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)NC(C)(C)CO 1704309369 RRFWHKBOJIFVOK-UHFFFAOYSA-N 367.833 2.554 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC(CO)(CN(C)C)CC1 1772707644 WPSDELOQRBPENM-UHFFFAOYSA-N 355.866 2.517 0 50 FFAA COc1cccc(OCc2nc(Cc3cc(C)no3)n([C@H]3CCOC3)n2)c1 1775983709 RURWHOOCUPYZDV-AWEZNQCLSA-N 370.409 2.714 0 50 FFAA CO[C@H](OC(=O)Cn1c(=O)sc2ccccc21)C(Cl)(Cl)Cl 5511825 GEDYDDGKQNLUHZ-SNVBAGLBSA-N 370.641 2.949 0 50 FFAA COCc1c(C(=O)NCCc2ccccc2)nnn1-c1ccc(C)cc1 11690564 ZDHOFVVMTDGFLV-UHFFFAOYSA-N 350.422 2.695 0 50 FFAA COc1cccc(C[C@@H](C)N2CCC(=O)N(CCN3CCCCC3)CC2)c1 11970237 SLDDJDBYEMPTCM-LJQANCHMSA-N 373.541 2.646 0 50 FFAA CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(C(C)(C)C)cc3)CN2C1=O 14749322 XBYMJPYCBYYKRA-OTWHNJEPSA-N 371.525 2.588 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCN(CCc2ccccc2)CC1 16603996 HOQNGWJRMURMTI-UHFFFAOYSA-N 360.404 2.731 0 50 FFAA CCOc1cc(CN2CCC[C@H](N3CCC(CO)CC3)C2)ccc1OC 19835914 DPOZURQGIQXDTM-IBGZPJMESA-N 362.514 2.763 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1 169778228 GWMHGWXKBPFEKN-OAHLLOKOSA-N 364.409 2.601 0 50 FFAA O=C(N/C(C(=O)N1CCOCC1)=C(\Cl)c1ccccc1)c1ccccc1 5278252 XONUAPNUZKJBKA-ZCXUNETKSA-N 370.836 2.883 0 50 FFAA O=C(O)c1n[nH]c2c1CN(C1CCN(c3ccccc3Cl)CC1)CC2 1857672975 BYMXVBMRXATDBH-UHFFFAOYSA-N 360.845 2.788 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@H]1c1cccnc1 1857739144 KNNSACQUNHKEFC-HNNXBMFYSA-N 358.467 2.660 0 50 FFAA Cc1c(C(=O)NCCCc2nnc[nH]2)oc2ccc(Br)cc12 315311743 SNIASBWSCRPTME-UHFFFAOYSA-N 363.215 2.984 0 50 FFAA O=C(CCCc1c(F)cccc1F)NC[C@H](C(=O)O)C1CCOCC1 848878611 HXKVRLXPKMFIOE-AWEZNQCLSA-N 355.381 2.531 0 50 FFAA CCn1ncnc1CN1CCOC[C@H]1c1c(C)nn(-c2ccccc2)c1C 952886806 BBQZXDGCAGFVHM-SFHVURJKSA-N 366.469 2.674 0 50 FFAA Cc1ccc(NC2CC2)c(C(=O)N[C@@H](C)c2ccc(OCC(N)=O)cc2)c1 1875269745 RWFDPYZUDUMVGF-AWEZNQCLSA-N 367.449 2.924 0 50 FFAA Cc1[nH]nc2c1C[C@@H](NC(=O)/C=C/c1ccc(Br)o1)CC2 1875312932 KTLAJSLETOTIIB-QBBOHKLWSA-N 350.216 2.761 0 50 FFAA O=C(O)[C@H](c1cccc(Cl)c1Cl)N1C[C@@H](O)C2(CCOCC2)C1 1875306167 WDQBOOMJUDUMES-OCCSQVGLSA-N 360.237 2.592 0 50 FFAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cn(-c3ccccc3)cn2)C1 1875395851 NPNCYXCXJJESGA-SIBVEZHUSA-N 372.494 2.739 0 50 FFAA Cn1ncc(C2CC2)c1CNC(=O)N[C@H]1CCC[C@H]1Cc1ccccn1 888102039 VIHHHZXGGZOZBS-YJBOKZPZSA-N 353.470 2.903 0 50 FFAA Oc1ccc2nc(CN3CCC(O)(Cc4ccccn4)CC3)sc2c1 2325778716 LJJXILBQTJSDGM-UHFFFAOYSA-N 355.463 2.967 0 50 FFAA CC[C@H](SC)C(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H](C)c2ccco2)C1 2325794138 RPGJNXQTVFOSLF-KQTLUZQSSA-N 352.500 2.926 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](F)C3CCCCC3)C2)n[nH]1 2325843127 WFHNGXFVYDSGDE-PBHICJAKSA-N 364.465 2.782 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@H]1CC[C@@H](CNC(=O)Cc2cc(C3CC3)on2)C1 2325867829 GSXYTAXVSQQVRS-XOUADPBQSA-N 359.470 2.542 0 50 FFAA COc1cccc(-c2cccc(CN3C[C@H](CO)[C@H](CN(C)C)C3)c2)c1 91680421 OTUAWQBUAHXLNW-NHCUHLMSSA-N 354.494 2.964 0 50 FFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)c1cc2ccccc2s1 127071297 RWVVCENSSMWJAH-HUUCEWRRSA-N 360.479 2.698 0 50 FFAA Cc1ccsc1CN(C(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 4840605 KJPONJXFYYTHEL-LBPRGKRZSA-N 355.506 2.948 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3ccc(OC)cc3OC)n2)cc1 4943511 QRBTWTBGMLTDPZ-UHFFFAOYSA-N 369.377 2.692 0 50 FFAA COc1cc(OC)c(NC(=O)Cc2c(C(=O)O)c(C)cn2C)cc1Cl 8607584 ODMGFCPBVLIEFD-UHFFFAOYSA-N 366.801 2.884 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(C(C)(C)C)s2)CC1 59749657 QFUZNUXACRACCI-UHFFFAOYSA-N 367.519 2.948 0 50 FFAA CN(C)C(=O)c1cccnc1-c1cccc(-c2ccn(CCCO)n2)c1 20233440 LRXZRXMBHYVUQJ-UHFFFAOYSA-N 350.422 2.696 0 50 FFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 101470460 IWVAHYRXZRKEHN-NBOOPKSLSA-N 364.511 2.763 0 50 FFAA CCOc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c1 28290968 FEXOHEOGXXAOJN-HXUWFJFHSA-N 354.450 2.889 0 50 FFAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 67612610 OYAYYVDDUOSBTQ-HOTGVXAUSA-N 366.527 2.531 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(Cc4ccc(Cl)cc4)c3C2)n(C)n1 23367967 UXZPDQVPVRVISX-UHFFFAOYSA-N 369.856 2.894 0 50 FFAA C[C@@H](C(=O)N1CCC(O)(c2ccccn2)CC1)n1cnc2ccccc21 65369734 JPIOZJMXDXHTOM-HNNXBMFYSA-N 350.422 2.503 0 50 FFAA O=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1CC1CCC1 67725109 RDMRKDHSULHBJP-OAQYLSRUSA-N 355.482 2.710 0 50 FFAA CN(Cc1ccccc1)c1cnn(Cc2cc(-c3cccnc3)no2)c(=O)c1 23214590 HZLIAUMFTOJRFM-UHFFFAOYSA-N 373.416 2.978 0 50 FFAA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)C1 229704990 JUOQKGNWVQVFCM-IJLUTSLNSA-N 371.403 2.525 0 50 FFAA Cc1ccc(C(=O)N2CCC(NS(=O)(=O)CC3CCCC3)CC2)cc1 178328097 AYQWOOJITZJPFP-UHFFFAOYSA-N 364.511 2.709 0 50 FFAA C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc(NC(=N)O)cc1 328592967 KDSIKAOJQZEMGF-STQMWFEESA-N 360.458 2.699 0 50 FFAA O=C1O[C@@H]2CN(Cc3ccncc3)C[C@@H]2N1CCCc1ccc(F)cc1 64006816 VAWVNNKRAFGVFT-RBUKOAKNSA-N 355.413 2.859 0 50 FFAA CC(C)c1nc2cccnc2n1C1CCN(C(=O)Cn2cccn2)CC1 11789138 YBRUXPPBLVLTPY-UHFFFAOYSA-N 352.442 2.615 0 50 FFAA C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(F)(F)C3)cn2)C[C@@H](C)O1 331852061 HYSPMESMQOGJCJ-UMVBOHGHSA-N 353.413 2.747 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 32498041 FCQGSZJOEAGAPS-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA Cc1nnsc1C(=O)N(CCc1ccccc1)C[C@H]1CCCN(C)C1 11934840 KTXCSYQKUQQNJY-KRWDZBQOSA-N 358.511 2.873 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 77354534 REILMJOMWCNUQF-CQSZACIVSA-N 361.392 2.752 0 50 FFAA COc1ccc(CC[C@@H]2CCCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)cc1 71763508 FBPAGGKGOLUKNN-INIZCTEOSA-N 370.449 2.877 0 50 FFAA O=C(c1ccncc1Cl)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435571705 XZQQTLWDOWKYCH-CQSZACIVSA-N 362.886 2.976 0 50 FFAA CCCn1c(C)c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c2cc(OC)ccc21 151780897 RHJOJEOVAQQXCR-RBUKOAKNSA-N 371.481 2.523 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC(Nc3ncccn3)CC2)cc1 72425153 MBODLWBVSYCJPR-UHFFFAOYSA-N 368.481 2.897 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)OC1=O 77436252 DFRUUVDDWAXKEW-CQSZACIVSA-N 361.442 2.706 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N1CCCN(c2ccccc2)CC1 219555363 BLNREBRKAXWCDR-UHFFFAOYSA-N 365.477 2.620 0 50 FFAA CCNC(=O)c1ccc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)nc1 71775834 ADPGVARLVHQHLL-INIZCTEOSA-N 367.449 2.939 0 50 FFAA O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)[C@H]1CCNC1 237903965 JPYRZZMIDUTPNS-YJBOKZPZSA-N 352.413 2.642 0 50 FFAA CC(C)(C)c1cc(CNC(=O)CCCc2nc(-c3ccncc3)no2)[nH]n1 219324593 ANLYXGYXSMOVNU-UHFFFAOYSA-N 368.441 2.791 0 50 FFAA O=S1(=O)CC[C@]2(C[C@@H](NC3CC(c4cc(F)cc(F)c4)C3)CCO2)C1 377550188 OFCBYBFPUPSJTC-BCFRTAFHSA-N 371.449 2.537 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)CC2)ccn1 77523665 XUJKFWRXDBUVPK-CQSZACIVSA-N 353.470 2.590 0 50 FFAA Cn1cc(NC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)cn1 378303163 DUQGJUCLCTYLGS-UHFFFAOYSA-N 353.470 2.940 0 50 FFAA CN(CC(=O)O)c1ncc(CN2CC[C@@H](c3ccccc3Cl)C2)cn1 217018219 SSSIXYZOMFQHSI-CQSZACIVSA-N 360.845 2.640 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)CC3(O)CCCC3)CC2)cc1 173749313 FOGHNDFLWHWGDW-UHFFFAOYSA-N 374.481 2.501 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cnc(Nc2ccccc2)nc1 223595587 WEXIZUKZGQWHTC-MSOLQXFVSA-N 368.437 2.534 0 50 FFAA COCc1nc(C)c(CNC(=O)Cn2c(C)cc(=O)c3ccccc32)s1 223020951 JWCJKZFKZBANNI-UHFFFAOYSA-N 371.462 2.538 0 50 FFAA CC(C)CN1C[C@H](C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1=O 223223839 HPPVRDAFBVVFBG-RDTXWAMCSA-N 356.470 2.881 0 50 FFAA CN(Cc1ccon1)C(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 220643243 ZEPIPTBCOZLOTC-NSHDSACASA-N 354.332 2.573 0 50 FFAA O=C(NCc1ccco1)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 17076583 RHNLMMNMLNXGEK-OLZOCXBDSA-N 374.418 2.877 0 50 FFAA CCC(=O)N1CC[C@H](Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)C1 287910206 POTCJNQKNVPHDD-JTQLQIEISA-N 364.389 2.532 0 50 FFAA Cc1cccc2nc([C@H]3CCCN3C(=O)NCc3csc(N)n3)[nH]c12 426628214 JXSMVUHBHFKPMK-CYBMUJFWSA-N 356.455 2.957 0 50 FFAA Cc1cccc(SC2CCN(C(=O)N[C@H](C)Cn3cncn3)CC2)c1 426371983 HLZFGAOBQOOAFF-OAHLLOKOSA-N 359.499 2.941 0 50 FFAA O=C(Cn1ncc2ccccc21)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223152653 WGAVIAMHCPOYAW-QUCCMNQESA-N 365.433 2.527 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 289091348 LJLTXMJSUDFGGJ-CQSZACIVSA-N 350.369 2.526 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 426361895 FRHQSBJYDSDOQU-MRXNPFEDSA-N 373.428 2.836 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 289269068 RJNWLFWQQKEUHE-FYNNLBNCSA-N 368.399 2.917 0 50 FFAA NCCOc1ccc(F)cc1C(=O)NCc1ccc(OC(F)(F)F)cc1 426428255 IKXRTFPENBZMTB-UHFFFAOYSA-N 372.318 2.992 0 50 FFAA CN1CCC(C(=O)N2CCC[C@H](c3nccn3C)C2)(c2ccccc2)CC1 82116973 FHKBGGAMAJMWJX-SFHVURJKSA-N 366.509 2.790 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3cc(CN4CCCC4)cs3)C2)n1 426504400 BELHUBMXPJEKIP-SFHVURJKSA-N 374.554 2.912 0 50 FFAA CC(C)Nc1ncc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cn1 91974082 GVAYFNUVDSWCBT-ZWKOTPCHSA-N 357.502 2.520 0 50 FFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 97553339 LSIPZCVCMNSIIC-ZDUSSCGKSA-N 368.824 2.991 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc3oc(C)cc3c1)CC2 426589794 PFTGEJXHLDEYFD-HFSMHLIXSA-N 373.449 2.902 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CCc1n[nH]c(C)c1C 91637135 HIPDAPCCLKYLJL-CQSZACIVSA-N 364.453 2.997 0 50 FFAA Cc1ccc(-c2noc(CCCC(=O)NCc3cnc(C)cn3)n2)cc1 426508161 XNEPVWVAASLHKW-UHFFFAOYSA-N 351.410 2.783 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1=O 91270501 VFMQCFKKRMZWPH-GOSISDBHSA-N 369.465 2.701 0 50 FFAA CN1CCC[C@@H](CCC(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)C1 95390381 JEZAOJISJQKWFY-KRWDZBQOSA-N 369.509 2.645 0 50 FFAA Cc1ccc(C)c(-n2nc(Cn3cncn3)nc2[C@H](C)CN2CCCC2)c1 96136217 PKLNMDQSBNQBKU-QGZVFWFLSA-N 365.485 2.723 0 50 FFAA CC[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccnn1C 96164767 MBGRBEXZUHECHH-QGZVFWFLSA-N 369.469 2.858 0 50 FFAA CC1CCN(C(=O)COc2ccc(CN3CCN4CCC[C@H]4C3)cc2)CC1 244724057 MMUVZTBFGYBGGW-FQEVSTJZSA-N 371.525 2.604 0 50 FFAA CC[C@H]1C=CCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 243902150 BHCMOFYUKJQARV-JYJNAYRXSA-N 355.438 2.596 0 50 FFAA Cc1ccc(Cl)c(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C3CC3)C2)c1 244701255 KCZFGHDEWAEXTF-TXEJJXNPSA-N 360.845 2.743 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252548748 QJVCXFVMOOKKHR-XPIZARPCSA-N 363.461 2.912 0 50 FFAA O=C(N[C@H]1CCO[C@@H](c2cccnc2)C1)N1CCOc2cc(O)ccc2C1 297393839 FRDFVJHACDWYQN-FUHWJXTLSA-N 369.421 2.612 0 50 FFAA CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)NCc3cccnc3)N=C2O)cc1 252483522 FDJWNAPJLWXOFC-QGZVFWFLSA-N 366.421 2.541 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3n[nH]c(COC)n3)cc2)C1 534646727 CUIUUXDKVPRACH-INIZCTEOSA-N 358.442 2.649 0 50 FFAA Cc1nc(CN2CC[C@@H](NC(=O)c3ccc(C(C)C)cc3)[C@H](O)C2)cs1 299791574 FNWLBDPMRKZHCU-RTBURBONSA-N 373.522 2.940 0 50 FFAA Fc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c(F)c1 299792345 FPYSCKCUTPMMCB-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA CCc1noc(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)n1 299794555 KLODDBQHYKOYKD-UHFFFAOYSA-N 356.470 2.593 0 50 FFAA CC(C)(O)Cn1nc(-c2c[nH]c3ccccc23)nc1[C@]1(C)CCCNC1 821508371 NCHHAWICUJSFBH-HXUWFJFHSA-N 353.470 2.838 0 50 FFAA CC(C)Oc1ccccc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 240886170 INMLJQADOSQOIC-SJORKVTESA-N 364.486 2.791 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCOC4(CCNCC4)C3)o2)cc1 952978110 DMBMIBSCNIPITP-UHFFFAOYSA-N 356.422 2.550 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 952963895 AKYPIXTWVKISSX-UHFFFAOYSA-N 362.430 2.511 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cscn1 275575164 YFVGOZSYRORPOK-RYUDHWBXSA-N 354.476 2.593 0 50 FFAA CC(C)[C@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C(N)=O)cc2)ncn1 275715057 OGXAWDHQFBUKDJ-QFBILLFUSA-N 369.469 2.803 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc3c(c1)OCO3)[C@@H]2C 188817731 YQNDANSZRYYJKK-VUDGCMKMSA-N 354.410 2.747 0 50 FFAA CC(=O)c1cc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)n(C)c1 1615738415 YDXALGMGVPWQMI-AVRDEDQJSA-N 363.461 2.811 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC(N2CCCC[C@H]2C)C1 1506400207 VEJIXAQTMFCBHC-OAHLLOKOSA-N 352.500 2.559 0 50 FFAA CCN(CCNc1ccc(C(=O)N2CCOCC2)cn1)c1cccc(C)c1 1529142171 GSSCVFSVNKGEJQ-UHFFFAOYSA-N 368.481 2.801 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cnn3ccn(C)c23)C[C@@H](c2ccccc2)O1 1529198563 CWBOVZKNHWZALS-MSOLQXFVSA-N 352.438 2.911 0 50 FFAA CN(C)c1nc2c(c(N3CCC([C@@H](O)c4ccccn4)CC3)n1)CCCC2 1529174414 RRXTVMCURFRERU-LJQANCHMSA-N 367.497 2.766 0 50 FFAA CCCOc1c(CN(CCO)Cc2ncc[nH]2)cc(Cl)cc1OC 1704307986 OHJLVOVVHFZAAN-UHFFFAOYSA-N 353.850 2.855 0 50 FFAA CCn1ncnc1CN1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704300820 ZYKVFGMMIQPLFS-UHFFFAOYSA-N 351.454 2.843 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CN(Cc4cccs4)C[C@@]3(CO)C2)[nH]1 1772702781 DXSAIAZVYAESSA-OXQOHEQNSA-N 374.554 2.740 0 50 FFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 5155016 MVIGYYYWKLGAQK-UHFFFAOYSA-N 368.256 2.826 0 50 FFAA CC(C)(C)c1ccccc1OC[C@H](O)CN1CCN(c2ccccn2)CC1 5857729 YENLLNJHGZJVBY-GOSISDBHSA-N 369.509 2.941 0 50 FFAA Cc1sc(-c2ccccc2Cl)nc1C(=O)N[C@H]1CCS(=O)(=O)C1 11866147 AOOVDYAOXQEJEJ-JTQLQIEISA-N 370.883 2.689 0 50 FFAA CCN(CC)CC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 11874472 BVCNTNXMEHBMGW-KRWDZBQOSA-N 362.424 2.986 0 50 FFAA Cc1ccc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)cn1 11938355 DAMSFDFIZDZMSU-UHFFFAOYSA-N 361.449 2.789 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccn1 12305876 MEZWEMQHTUBTDS-CYBMUJFWSA-N 364.405 2.838 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nc(C)c[nH]1 12316563 QXPVFQOABVHLRF-UHFFFAOYSA-N 368.485 2.870 0 50 FFAA O=C(c1ccc(OC2CCN(Cc3ccon3)CC2)cc1)N1CCCC1 12430936 KVBBTYSSPOOGHO-UHFFFAOYSA-N 355.438 2.954 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3C)C2)c(OC)c1 12431283 MMSXFLYXWUFFOH-HNNXBMFYSA-N 357.454 2.841 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ncoc4C)C3)C2=O)c1 12708874 KHUHDDHHQXAKSM-OAQYLSRUSA-N 367.449 2.946 0 50 FFAA O=C(N1CCN(c2ccccn2)CC1)C(O)(c1ccccc1)c1ccccc1 18180910 WDRCXLWPPZYXQT-UHFFFAOYSA-N 373.456 2.666 0 50 FFAA CCOc1cc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc(Cl)c1OCC 1857669775 FZCDZZADPGBLQT-HNAYVOBHSA-N 369.889 2.968 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@]23CC[C@H]1O3 1857711900 HUIZQUQYJDBNBM-BSDSXHPESA-N 368.399 2.821 0 50 FFAA O=C1CC[C@@H]2CN(C/C=C/c3ccccc3)CC[C@@H]2N1CCc1c[nH]cn1 247787784 ACGDUCMUJCEWDJ-ZUYNHSBASA-N 364.493 2.979 0 50 FFAA CC(C)N1C[C@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1=O 265627894 ITNLGRNXFCZQJQ-CQSZACIVSA-N 361.829 2.663 0 50 FFAA O=C(Cc1coc2cc3c(cc12)CCC3)N1C[C@@H](O)CC2(CCOCC2)C1 922911049 YBSRPDVKQZWBEO-SFHVURJKSA-N 369.461 2.854 0 50 FFAA C[C@H](c1nccn1-c1ccccc1)N1C(=O)N[C@H](CC2CCOCC2)C1=O 924879961 BGBDQCZYUGQCCI-RHSMWYFYSA-N 368.437 2.670 0 50 FFAA CC[C@@](O)(C(=O)NC[C@@H](O)Cc1cccc(F)c1)c1cccc(Cl)c1 833179839 APKKFVSRORAWBN-HKUYNNGSSA-N 365.832 2.797 0 50 FFAA COCCCOCC(=O)N1CC(C)(C)[C@@H]1c1nccn1Cc1ccccc1 952890942 OFQAUPVNJXMFLU-IBGZPJMESA-N 371.481 2.894 0 50 FFAA CC1(C)COC[C@@H](CN=c2[nH]c(-c3cccnc3)nc3ccccc23)O1 1875332720 GKOJVPRGTNKSCV-OAHLLOKOSA-N 350.422 2.720 0 50 FFAA CN1CCO[C@@H](CN[C@@H]2CC(C)(C)Cc3occc32)[C@@H]1c1ccnn1C 886085409 OHAIELGMRBXNBL-MNEFBYGVSA-N 358.486 2.688 0 50 FFAA Cn1cc([C@H]2CN(C(=O)CCOc3ccc4ccccc4c3)CCN2)cn1 913460541 OXMPKAYRBCOCRJ-HXUWFJFHSA-N 364.449 2.515 0 50 FFAA COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1 785712 BOXBFOBFYFHOBV-UHFFFAOYSA-N 354.406 2.949 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 1137088 RIFFXAFGJLEWMK-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Oc2ccccc2)cc1 1215001 KMQNHEOOUJXNDI-UHFFFAOYSA-N 360.435 2.524 0 50 FFAA COCCN1CCC[C@]2(CCCN2CCCCOc2ccccc2)C1=O 2356142310 NBZYFINFLDTMKC-NRFANRHFSA-N 360.498 2.949 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4)no3)C[C@H]2CC1=O 2356145204 GESJXXFVHTWRCL-XHSDSOJGSA-N 353.422 2.671 0 50 FFAA O=C(Nc1nncs1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225697455 VWTAIOFIHQZFMG-RYUDHWBXSA-N 356.373 2.787 0 50 FFAA O=C(Nc1cccc2c1OCCO2)C(=O)N1CCC[C@@]2(CC=CCC2)C1 114615821 QRGASHBVFZZNCY-FQEVSTJZSA-N 356.422 2.745 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)o1 104450120 BBVKNNQYECPDMP-QGZVFWFLSA-N 350.409 2.935 0 50 FFAA CC(C)c1nnsc1CNC(=O)C(C)(C)NC(=O)c1cccs1 65394083 FFMASMJJWVWLBZ-UHFFFAOYSA-N 352.485 2.548 0 50 FFAA NC(=O)c1csc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)n1 67881294 SPOWRIKFPFLLGR-QGZVFWFLSA-N 365.886 2.717 0 50 FFAA COC(=O)c1cccc([C@@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65435178 BVENQIDBAOXQNV-AWEZNQCLSA-N 371.462 2.682 0 50 FFAA Cc1nn(Cc2nnc(SCC(=O)O)n2-c2ccccc2)c(C)c1C 65507483 WHEARGMNWGJCPF-UHFFFAOYSA-N 357.439 2.614 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccccc1F 67434572 HAXWRQWBRZDSOC-QFIPXVFZSA-N 370.468 2.902 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1 23214581 ZUMJGFSKNGLLCM-UHFFFAOYSA-N 368.466 2.770 0 50 FFAA CCn1c(C2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)n[nH]c1=O 65398284 FTFGRJKVFISUIF-UHFFFAOYSA-N 356.470 2.810 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CCc2ccc(F)c(F)c2)n1 328625633 DJRFVIVYSNBFAX-HNNXBMFYSA-N 362.380 2.620 0 50 FFAA CSCC[C@H](NC(=O)CCc1ccnn1C)c1nc2ccccc2[nH]1 185551674 FSZVJWQXUAABRI-INIZCTEOSA-N 357.483 2.840 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC[C@@H](N4CCCC4)CC3)n2)cc1 150769627 ZDROJDLCJKPRKK-QGZVFWFLSA-N 368.481 2.971 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)no1 12053350 KUOQVOGQMHRWLI-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C)ccc21 77471477 MZTJFVUOYKCCAS-UHFFFAOYSA-N 353.422 2.605 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC([C@]2(C)N=C(O)N=C2O)CC1 329824208 HTERHMLJGDZCCF-WTANOLMUSA-N 365.474 2.853 0 50 FFAA CC(=O)N1CCC(N2CCC(CO)(Cc3ccccc3Cl)CC2)CC1 12744349 ZIZOICRNYZVJNK-UHFFFAOYSA-N 364.917 2.968 0 50 FFAA CN(C)c1ccnc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1 376612743 NCZRNCJNLHEHHV-ZACQAIPSSA-N 367.453 2.579 0 50 FFAA CCOc1ccccc1Oc1ccccc1C(=O)N1CCO[C@H](CN)C1 376941985 WMGZNPATNVPTBV-OAHLLOKOSA-N 356.422 2.677 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCCC[C@H]1c1ncon1 158247308 XDGYRYJESYLWIB-ZDUSSCGKSA-N 371.363 2.742 0 50 FFAA COc1ccc(N2CCN(Cc3ccc(CC(=O)O)cc3)[C@@H](C)C2=O)cc1 77407306 RFKCYCLDFSFORK-HNNXBMFYSA-N 368.433 2.560 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC([C@H](C)N2CCOCC2)CC1 72457131 DAXQDNYPESDKHO-AWEZNQCLSA-N 366.889 2.922 0 50 FFAA Cc1cc(NC(=O)N(CCO)Cc2ccco2)ccc1N1CCCC1=O 426596493 MBPSKTXCQSSDHV-UHFFFAOYSA-N 357.410 2.741 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(CO)cc1 220025767 BZXBLQKGFVYWRV-XTXLOEGASA-N 362.429 2.969 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)C1(c2ccccc2)CCCCC1 82125689 TXRXESAQTCDWCD-UHFFFAOYSA-N 352.482 2.895 0 50 FFAA CCCn1cnnc1CNC(=O)[C@@H](CC)n1c(CC)nc2ccccc21 95384537 PCYIWYDGRRGIMW-OAHLLOKOSA-N 354.458 2.868 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CSCc1ccccc1Cl)C2 95375025 VXGBADWJGMJTEY-GXTWGEPZSA-N 352.887 2.652 0 50 FFAA COc1cc(F)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(F)c1 91595503 KTABJGOPRVVHFE-UONOGXRCSA-N 361.344 2.914 0 50 FFAA Cc1cc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)c(=O)[nH]c1C 91643611 SFWULJRVTINHKX-SFHVURJKSA-N 353.466 2.601 0 50 FFAA O=C(NCCSC1CCCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 95524749 VHYGQJCGVYXLNL-INIZCTEOSA-N 361.511 2.612 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)CCc1ccc(C)cc1)CC2 91603684 MSMYHRVUBUXMDC-UHFFFAOYSA-N 372.509 2.805 0 50 FFAA CCCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91563301 QZDRUAIVSMTVPR-QGZVFWFLSA-N 373.497 2.628 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 95528159 NCCNAWUOTOBJPN-QGZVFWFLSA-N 356.470 2.560 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccccc2O)n[nH]1 96139940 VCLPADZICLQTAR-KRWDZBQOSA-N 353.426 2.824 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1coc(Br)c1 299745979 UKWJTGLEUOATAO-LBPRGKRZSA-N 350.168 2.694 0 50 FFAA CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 253487602 MNSBETXPDYZQDN-BEVDRBHNSA-N 371.525 2.681 0 50 FFAA O=S(=O)(NC1CCCCC1)c1ccc(I)cc1 642696 SXISPGOXZHSOPH-UHFFFAOYSA-N 365.236 2.902 0 50 FFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1940197548 YHSUSYWCQGWXKP-MSOLQXFVSA-N 362.433 2.768 0 50 FFAA O[C@@H]1CN(Cc2cccc3c2oc2ccccc23)CC[C@H]1N1CCOCC1 48261779 VSLHPEMTUZNQOR-WOJBJXKFSA-N 366.461 2.853 0 50 FFAA Cc1ccc(C2(CN3CC[C@@H](n4nc(C)cc4C)C3)CCNCC2)nc1 65394696 ZXJUBHNHKMOJEF-LJQANCHMSA-N 353.514 2.772 0 50 FFAA O=C1C[C@@H](C(=O)N2CC(OCc3cccc(F)c3)C2)C2(CCCCC2)O1 299769636 SRILXBGJXPHSPN-KRWDZBQOSA-N 361.413 2.819 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 299782148 MSVFJPIFZQWWGB-UHFFFAOYSA-N 355.463 2.897 0 50 FFAA Cc1c[nH]ccc1=NCCNC(=O)CC1CCN(Cc2ccccc2)CC1 827807438 VARVIGVUZUWDAF-UHFFFAOYSA-N 366.509 2.642 0 50 FFAA O=C(c1cccc(O)n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 584894858 OIWKCHYTXDURIJ-UHFFFAOYSA-N 365.355 2.764 0 50 FFAA O=C1CN(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)CCCN1 584890813 YWJRQKVLPCQZIP-MRXNPFEDSA-N 357.454 2.745 0 50 FFAA CN(Cc1cc(-c2ccccc2)on1)C(=O)NCCc1nc(C2CC2)no1 584898289 FKXGEELSZBDOCR-UHFFFAOYSA-N 367.409 2.986 0 50 FFAA O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N1CCOC2(CCCC2)C1 584901835 MAXGBYHWGMGURC-UHFFFAOYSA-N 371.481 2.777 0 50 FFAA CCN(C(=O)c1cccc(-c2cc(C)c3nccn3c2)c1)[C@H]1COC[C@@H]1O 584887453 OWTCTZQIAQJTGP-OALUTQOASA-N 365.433 2.532 0 50 FFAA Cc1cccn2c(CC(=O)N[C@H](C)c3nc(-c4ccncc4)no3)cnc12 670457623 MXXUFYWVIIVHOS-CYBMUJFWSA-N 362.393 2.508 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1466624521 VCZJOZNUOWLESQ-CQSZACIVSA-N 373.453 2.893 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)NCC(=O)N3CCc4ccccc43)sc2C1 170616735 FBQLQTSCVRDCBM-GFCCVEGCSA-N 370.478 2.979 0 50 FFAA Cc1cc2nc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc(C)n2n1 952972688 IVQOYPAARNMQOS-QGZVFWFLSA-N 365.437 2.563 0 50 FFAA Cc1nccc(N2CCN(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)n1 408213774 DGCPIPKTTXDPQP-LBPRGKRZSA-N 372.498 2.720 0 50 FFAA CN(C)c1cccc(CCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 187967553 IWQCIAZGKMTASL-FQEVSTJZSA-N 365.477 2.775 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 907893136 ORWZTZOMLFNQJQ-UHFFFAOYSA-N 354.454 2.543 0 50 FFAA O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1cc(F)ccc1F 782117305 LTPHUJYAXZSCMP-UHFFFAOYSA-N 366.270 2.678 0 50 FFAA c1ccc(CN2CCCO[C@@H](CNC3CSCCSC3)C2)cc1 1506428938 RCINBOLZXMJSII-SFHVURJKSA-N 352.569 2.716 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C2CC2)O1 1529099946 JCRZMXICPFITAV-SJLPKXTDSA-N 365.495 2.900 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)C2CCCCC2)cc1OC 1529181661 UCUWXOCDEQRWNA-RTBURBONSA-N 363.454 2.545 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc(C)n1 1704304064 KMYHJEBGYKSRNQ-NRFANRHFSA-N 365.481 2.675 0 50 FFAA COc1cc(C)ccc1S(=O)(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 211201186 VQKHKZXNDPCNPG-QAPCUYQASA-N 355.500 2.811 0 50 FFAA Cc1cc(N2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)nc2ccccc12 216822994 TWVRGCGPHYCYKU-APWZRJJASA-N 353.466 2.743 0 50 FFAA O=C(CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1)NC1CCCCC1 1704298257 IQXRPDNNXNNUJK-UTKZUKDTSA-N 367.493 2.519 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)cc1 1704299978 WHRLAIYLOPAAAX-LJQANCHMSA-N 353.426 2.579 0 50 FFAA O=C(CCC1CCN(Cc2ccc3c(c2)CCO3)CC1)NC[C@H]1CCCO1 11842083 MSUZYJBRWYRMCA-HXUWFJFHSA-N 372.509 2.909 0 50 FFAA CCCN1CCC(NC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 12456401 HAPZZHDHITXFKM-UHFFFAOYSA-N 361.877 2.584 0 50 FFAA COCCNC(=O)CCC1CCN(Cc2ccc(OC)cc2F)CC1 12579530 ADHUXHLSHXVRNC-UHFFFAOYSA-N 352.450 2.589 0 50 FFAA Cc1cnc(C(=O)N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cn1 15063204 SZCLTEANQLTMAH-UHFFFAOYSA-N 356.332 2.917 0 50 FFAA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O 19323318 QAEGDMZMQDRYHD-UHFFFAOYSA-N 356.466 2.913 0 50 FFAA biogenic Cc1ccc2oc(N3CCC(c4nc(C)nn4[C@@H]4CCOC4)CC3)nc2n1 1857668438 LKIJKRRQROSGTK-OAHLLOKOSA-N 368.441 2.777 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1Oc1ccc(CN)cc1F 1857687812 GLBCBKLVZRIPPB-UHFFFAOYSA-N 360.385 2.558 0 50 FFAA CCOc1cc(CNCC2(O)CCOCC2)ccc1OCC(F)(F)F 236921831 QSGLLWOXFYMUPY-UHFFFAOYSA-N 363.376 2.658 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H](C(=O)O)C1 237485742 BHYUUTHVFAXUDA-ZJUUUORDSA-N 374.206 2.679 0 50 FFAA CCn1cc(S(=O)(=O)N(C[C@@H](C)N(C)C)c2c(C)cccc2C)cn1 864096689 QAKNSWMXEPSFRM-MRXNPFEDSA-N 364.515 2.665 0 50 FFAA Cn1cc(-c2nc(-c3ccc(OC[C@@H]4C[N@]4CC4CC4)cc3)no2)cn1 1875385578 WTWHFKGRTRVUGP-FYSMJZIKSA-N 351.410 2.610 0 50 FFAA CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C3CC3)cn1)C2=O 1875362913 YSMJTJRNZQPGHV-UHFFFAOYSA-N 370.453 2.788 0 50 FFAA Cc1ccc(-c2cc(C(=O)NS(C)(=O)=O)c3c(C)noc3n2)c(C)c1 1875390316 VFWFELOSPQFVJB-UHFFFAOYSA-N 359.407 2.504 0 50 FFAA CN1C(=O)C[C@@H](CNc2nc3c(F)cccc3n2C)[C@@H]1c1cccnc1 886034907 CVYHSKHHGWSDRN-UGSOOPFHSA-N 353.401 2.739 0 50 FFAA Nc1cc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)nc(N)n1 95353979 VWJMPXMVXVJAKX-FQEVSTJZSA-N 352.486 2.524 0 50 FFAA C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 2325770610 LLIYLQQVZONBRO-GHMZBOCLSA-N 352.818 2.871 0 50 FFAA CC[C@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(C(F)F)o2)C1)C(C)C 2325793802 IFUBUJPLSZZLGY-GFCCVEGCSA-N 372.412 2.593 0 50 FFAA C[C@H]1C[C@@H]1c1noc(CC2CCN(Cc3nc4ccncc4n3C)CC2)n1 2325809264 VVVICALPWKWJFT-ZFWWWQNUSA-N 366.469 2.929 0 50 FFAA O=C(Nc1cccc2c1CNCC2)c1nc[nH]c2ncc(Br)c1-2 2325857108 PNLFOWCUYOEMSB-UHFFFAOYSA-N 372.226 2.570 0 50 FFAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 2325860967 AGNWBPAHMADLER-OAGGEKHMSA-N 351.233 2.768 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccccc1Cl 623038 LXSLRZDZDQKJGL-AWEZNQCLSA-N 352.843 2.955 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)c2csc(Cc3ccccc3)n2)C1=O 2356137477 ZRHBALADYQORHW-HXUWFJFHSA-N 369.490 2.961 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)cc1 2356144734 KLVOUUNSQSCAMD-OAQYLSRUSA-N 350.466 2.637 0 50 FFAA COC(=O)c1ccccc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 2876041 JRMDOMXFMJMHJS-KRWDZBQOSA-N 367.405 2.851 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)n2nnc3ccccc32)cc1Cl 4845030 XPTAGIWCLHUZMH-UHFFFAOYSA-N 358.206 2.984 0 50 FFAA O=C(O)CCC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 6725745 QKIZWYUYPMSZND-UHFFFAOYSA-N 350.440 2.713 0 50 FFAA Cc1ccccc1C[C@]1(CO)CCCN(C(=O)CCN2CCCCO2)C1 12314384 OBEDSELKADYBRB-OAQYLSRUSA-N 360.498 2.556 0 50 FFAA O=C(N[C@@H]1C(=O)Nc2ccc(F)cc21)c1cc(COc2ccccc2)[nH]n1 102667283 ZZKXPRSRXKKYON-KRWDZBQOSA-N 366.352 2.551 0 50 FFAA CCOc1ccc(NC(=O)C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 100721675 RCHNHGUXMZHGIG-KRWDZBQOSA-N 365.389 2.632 0 50 FFAA O=C(CCC1CCCCC1)N1CCN(c2cc(-n3cccn3)ncn2)CC1 67612180 KBIJMUUYLNSOGG-UHFFFAOYSA-N 368.485 2.671 0 50 FFAA O=c1[nH]c2ccccc2nc1CCc1nc(C2CC2)nn1-c1ccccn1 65381155 PWZVEVJNRYGEER-UHFFFAOYSA-N 358.405 2.561 0 50 FFAA CN(C)[C@H]1CCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1 20453770 BKZSUCPSZQYYLN-INIZCTEOSA-N 365.437 2.851 0 50 FFAA COc1ccc(CCN2C[C@H](C(=O)N3CCCCCC3)CCC2=O)cc1 12300140 LDBNRZOQLOZADS-GOSISDBHSA-N 358.482 2.879 0 50 FFAA O=C(Nc1ccc2c(c1)CCCO2)NC1CCN(C[C@@H]2CCOC2)CC1 172411904 NTFIHAGPCGTLQP-HNNXBMFYSA-N 359.470 2.634 0 50 FFAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2csnn2)C1 11879806 OEODJGOFUYTXTK-LJQANCHMSA-N 373.478 2.956 0 50 FFAA CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCCN(C)c2ccccc21 172430944 HEESFCMCELIYJY-SFHVURJKSA-N 355.438 2.907 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4ccncc4C)C3)CCC2=O)cn1 77423028 GGEJEQPEGWKKSI-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA CCc1nccn1CCC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72158719 RXXBRAABMSBVBM-HXUWFJFHSA-N 366.509 2.537 0 50 FFAA O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(CO)CO)C1 71422285 CGYZTYFUEMQKAL-QGZVFWFLSA-N 355.434 2.727 0 50 FFAA Cc1ccc(C2=NO[C@H](CNc3ncnc4c3CN(C)CC4)C2)cc1C 282211733 JGSOOLGSHRFFRJ-INIZCTEOSA-N 351.454 2.686 0 50 FFAA CCc1nc(CNC(=O)C[C@H]2COCCN2Cc2ccc(C)o2)cs1 72478583 HDXXCKPVGIYDIV-HNNXBMFYSA-N 363.483 2.514 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328656742 ZQLIHGZVXXTKEN-MRXNPFEDSA-N 371.485 2.788 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2cc(C)nc3ccccc23)CC1 328607297 VICXGFSPGFLDGJ-GOSISDBHSA-N 369.465 2.831 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(c2ccnc(C3CC3)n2)CC1 328651114 VVZXNRUUWQAILX-SFHVURJKSA-N 366.469 2.552 0 50 FFAA COc1cc(C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)ccc1OC(F)F 6395108 WZPBSOUQSPOJFH-ZDUSSCGKSA-N 368.258 2.769 0 50 FFAA c1ccc(Cn2ccnc2Cn2ccnc2-c2cc3n(n2)CCCNC3)cc1 72407619 WKXTZQIQDILECV-UHFFFAOYSA-N 373.464 2.533 0 50 FFAA CCNc1nc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)cs1 150991122 DNOTYXIBEVWSMR-UHFFFAOYSA-N 364.515 2.876 0 50 FFAA CCOCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 77389270 SNLLQFMPUUADJE-INIZCTEOSA-N 360.454 2.640 0 50 FFAA Cn1nnc2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4o3)cnc21 329692475 WLVVEAHRLIQVGR-OAHLLOKOSA-N 362.393 2.872 0 50 FFAA CC(C)c1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)on1 215060546 WKKQHNMZFZZLKQ-DZGCQCFKSA-N 360.483 2.878 0 50 FFAA COc1cccc(OCCN2CCN(C(=O)c3cc(C)nc(C)c3)CC2)c1 215671475 ZTWJVHBDQGRQRH-UHFFFAOYSA-N 369.465 2.544 0 50 FFAA CCOC(=O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(-c3cc[nH]n3)s1)C2 72125696 WGRKUHJUMWQDJD-MJGOQNOKSA-N 374.510 2.645 0 50 FFAA CO[C@@H](C)c1noc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 261778429 PGUMPWHCBQIEQC-ZFWWWQNUSA-N 362.499 2.983 0 50 FFAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(N2CCOCC2)cn1 377544449 PVQRWELOQHWHHR-UGSOOPFHSA-N 354.410 2.562 0 50 FFAA CN(C)CCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77471495 CXTWCNSLHHLHMF-UHFFFAOYSA-N 357.845 2.580 0 50 FFAA Cn1cccc1[C@@H]1CCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 175207613 HSMKNVMPQZHJFJ-CTNGQTDRSA-N 367.493 2.980 0 50 FFAA O=C(CCOc1ccccc1)N1CCC2(CC1)C(=O)Nc1ccccc12 72154789 WUNQAFKLXIGFAH-UHFFFAOYSA-N 350.418 2.968 0 50 FFAA C[C@@H](CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)O 263320851 JMCCNOWWRWSFSE-LBPRGKRZSA-N 364.829 2.869 0 50 FFAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 82091233 ZSTXUIQDKHCOMV-MRXNPFEDSA-N 355.438 2.819 0 50 FFAA O=C(NCCCn1ccnc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 40455943 NLYQRAFWLBEIMO-UHFFFAOYSA-N 374.872 2.595 0 50 FFAA O=C(CSc1ccccn1)N1CCC(c2nnc3n2CCCCC3)CC1 82156389 MCJLTUPDVZBBCO-UHFFFAOYSA-N 371.510 2.898 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cnn(Cc2ccncc2)c1 195473455 LWJZMHUZSCYFLT-UHFFFAOYSA-N 366.469 2.977 0 50 FFAA C[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1)C1CCCCC1 426423376 JWUONRZWANBKLQ-YJBOKZPZSA-N 358.486 2.841 0 50 FFAA CN(CC(=O)N1CCC(CCn2cccn2)CC1)Cc1ccccc1F 91746563 MGKNFXZBQWLJJQ-UHFFFAOYSA-N 358.461 2.783 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cnc(-c2cccnc2)nc1 95382297 HHOMLNKFOQZWAK-INIZCTEOSA-N 373.460 2.715 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 91551833 JXOGHYXBZHVPOY-JOCHJYFZSA-N 372.509 2.842 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239231213 VDJAQCCFKHDKBN-JEWRLFTDSA-N 361.825 2.970 0 50 FFAA CC[C@H](C)[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)O 236968700 KJTASHNTUXKRLX-BXWFABGCSA-N 360.498 2.945 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 239203175 RWTKUHLOASKEEP-DFEHZGFQSA-N 374.868 2.820 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2c([nH]c3ccccc23)C1 97713468 ZKFGHYASAYJYKZ-UHFFFAOYSA-N 374.448 2.740 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@@H](c3nccn3CCOC)C2)cs1 95511647 AFOHVQKDURILKY-CQSZACIVSA-N 362.499 2.958 0 50 FFAA Cc1n[nH]c(-c2ccc(NC(=O)N(C)CCc3noc(C4CC4)n3)cc2)n1 96153042 PRASRVGJKJNHMV-UHFFFAOYSA-N 367.413 2.747 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)s3)o2)CC1 97578499 CIPADQJNVITPRV-UHFFFAOYSA-N 353.875 2.672 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)no1 91476865 PBLNSTPPKQEDFE-DZGCQCFKSA-N 360.483 2.991 0 50 FFAA O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(Cc2ccncc2)C1 91848737 YEGNGPNNCUMINY-IGDKPHCXSA-N 353.466 2.515 0 50 FFAA CC[C@]1(C(N)=O)CCCN(c2nc(C)nc3c2Cc2ccccc2OC3)C1 95526161 UZESCTLBFBFRMT-NRFANRHFSA-N 366.465 2.750 0 50 FFAA CC(=O)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 95387730 KEMFBIXVXDALPH-OXJNMPFZSA-N 356.466 2.605 0 50 FFAA CN(C)[C@H](C(=O)NCc1nncn1C1CCCCC1)c1ccccc1F 95384431 XUQGZCBMWPQFNW-SFHVURJKSA-N 359.449 2.842 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)NCCSC1CCCCC1 244742122 OCEOOXIDIROBJO-UHFFFAOYSA-N 359.495 2.969 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1O)N1CCC(O)(c2ccc(Cl)cc2)CC1 534630560 ZSXGCNQSKOXPNC-HZPDHXFCSA-N 352.862 2.637 0 50 FFAA COc1ccccc1OC1CN(C(=O)N[C@@H]2COC3(CCCCC3)C2)C1 534590774 RDVIMBVWXYNHHI-HNNXBMFYSA-N 360.454 2.960 0 50 FFAA Fc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1F 299802951 SUUQKZJIRKPEKS-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA CCc1noc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299781731 XLALQCDPDPNBPS-BBWFWOEESA-N 354.454 2.516 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCCc1nc(C2CC2)no1 584885027 ZAZTXYNPRZNOOO-LBPRGKRZSA-N 372.425 2.663 0 50 FFAA C[C@H](CNC(=O)N1CCC(O)(CO)CC1)Cc1cccc2ccccc12 584888349 QYNXRVIOAVOKLW-INIZCTEOSA-N 356.466 2.547 0 50 FFAA Cc1c(O)ccc(-c2ccc(C(=O)N3CCS(=O)(=O)CC3)cc2)c1C 584894982 BSIQLSGSGOOTJN-UHFFFAOYSA-N 359.447 2.547 0 50 FFAA NC(=O)C1(NC(=O)NCCSCc2cccc(Cl)c2)CCCC1 584899858 JYDUWNBCMWNDLP-UHFFFAOYSA-N 355.891 2.671 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC(OCc2ccccn2)CC1 952972679 IVQNSJPCHOTGEG-SNAWJCMRSA-N 358.463 2.856 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)Cc2cc(OC)ccc2OC)cc1C 952981235 CYWQWBGCYAOFLQ-UHFFFAOYSA-N 372.421 2.778 0 50 FFAA CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1 109402131 MYODQTKXFGMFJJ-UHFFFAOYSA-N 370.434 2.826 0 50 FFAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCCN1 166803872 OALLOWSOQFIPRQ-LJQANCHMSA-N 361.449 2.693 0 50 FFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 275620016 JBWSDVWGGRGVBH-LJQANCHMSA-N 358.482 2.505 0 50 FFAA CC[C@H](C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 788407076 ACLZYMMIZRRSMV-QWRGUYRKSA-N 363.863 2.605 0 50 FFAA CCCC[C@H]1CN(c2ccc(CS(C)(=O)=O)cn2)C[C@@H](C2CC2)O1 1616069203 QSSCNVYEAZDNCE-IRXDYDNUSA-N 352.500 2.800 0 50 FFAA Cc1ccc(Cn2c(CN3C[C@@H]4CNC(=O)C[C@@H]4C3)nc3ccccc32)cc1 1800412230 WOPYALZYKBCNJL-MOPGFXCFSA-N 374.488 2.961 0 50 FFAA CCCc1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1704359607 VFETTXLNJFFTAV-MJGOQNOKSA-N 360.479 2.570 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 11945671 BIUFBDUUMSAXGS-HXUWFJFHSA-N 358.413 2.687 0 50 FFAA Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)cc1 16649016 NJBGFFJNLPWYJD-UHFFFAOYSA-N 364.449 2.966 0 50 FFAA O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccccc2)CC1 19372240 QDADFNBPZDWIDW-UHFFFAOYSA-N 367.474 2.741 0 50 FFAA COc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19798732 GUXXXZYRIGMPCB-UHFFFAOYSA-N 356.451 2.964 0 50 FFAA CC=CCOc1cccc(CC(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 1857532938 QCNSGPBQZUNRER-QZTJIDSGSA-N 355.438 2.896 0 50 FFAA CC[C@@]1(C(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)C[C@@H]2CC[C@H]1N2 1857678211 INIKVUZTFVRXHI-XEKQOVJPSA-N 374.510 2.593 0 50 FFAA CCn1nccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857716149 YTGMOOMBBRXTKN-SOLBZPMBSA-N 374.872 2.501 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)CCN12 1857734335 PNOYJPOIRGQYMQ-DLBZAZTESA-N 370.415 2.960 0 50 FFAA CS(=O)(=O)c1ccccc1N[C@H]1CCN(C(=O)C2CCCCC2)C1 301662226 MZTQAKZVXNXTGX-HNNXBMFYSA-N 350.484 2.683 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](N)C[C@H]2C)c(Br)c1 408519176 NPELVGPMSFFLHA-UPJWGTAASA-N 355.276 2.863 0 50 FFAA C[C@]1(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC(O)=NC1 328859545 YNHBZJTWENINQG-LRDDRELGSA-N 371.359 2.837 0 50 FFAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2cc(C)sc2Br)C1 329026113 NZPZJGZARUDCNL-SCZZXKLOSA-N 371.260 2.539 0 50 FFAA CN1CCN(CCCNC(=O)[C@@H]2[C@H]3CCCC[C@H]32)[C@H](c2ccccc2)C1 242284636 YIJRWLCCJBJQOF-JSXRDJHFSA-N 355.526 2.918 0 50 FFAA COc1ccc(C2(C(=O)NC[C@@]3(O)CCO[C@@H]3C)CC3(CCC3)C2)cc1 367675894 QVZFFDOAKGBIKC-VFNWGFHPSA-N 359.466 2.553 0 50 FFAA Cn1cc(-c2ccnc(C3CCN(C(=O)N[C@@H]4CC=CCC4)CC3)n2)cn1 952890810 JDTRHPXUVVJFAH-QGZVFWFLSA-N 366.469 2.875 0 50 FFAA CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCc3scnc32)c1 1875281667 PCTYGIZMPKROKL-GFCCVEGCSA-N 351.453 2.573 0 50 FFAA Cc1cc(N2CCC(O)([C@@H]3CCOC3)CC2)nc(N(C)c2ccccc2)n1 1875275926 PPFGKMRHNNFGJD-QGZVFWFLSA-N 368.481 2.921 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)Nc2cc3c(cc2F)NC(=O)CO3)c1 1875371497 CXGJXSWKYSEOJV-UHFFFAOYSA-N 355.325 2.533 0 50 FFAA Cc1[nH]nc2c1C[C@@H](C(=O)N1CC[C@H](c3ncnc4ccccc34)C1)CC2 1875301562 MUUCOEWJSBXTAO-GJZGRUSLSA-N 361.449 2.782 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@](C)(c3cccc(OC)c3)C2)C1 1875370944 JNIXCBZCNLUNFN-IERDGZPVSA-N 356.466 2.610 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(CN3CCCC3)c(Cl)c2)cn1 1875385102 MTLZBGKHMISCTJ-BXKMTCNYSA-N 360.889 2.933 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2NCc2cnn(Cc3ccccc3)c2)cnn1C 886068729 LOAXNPBPOAWEKB-VQTJNVASSA-N 351.454 2.593 0 50 FFAA COc1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)ccc1Cl 888076874 QICGYDHRBIAACR-BMFZPTHFSA-N 352.862 2.720 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2)[C@H]1C(C)C 888094962 NQNYYCUVHNHGLI-XCJLJZCSSA-N 355.482 2.768 0 50 FFAA COc1ccc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(Cl)c1 888097767 OIZBFGBHEFIWMZ-AKHDSKFASA-N 352.906 2.918 0 50 FFAA COc1ccc(C[C@@H](CN)CO)cc1-c1cc(F)cc(Cn2ccnc2)c1 899325649 YUHZOBWMBGWQJZ-KRWDZBQOSA-N 369.440 2.856 0 50 FFAA Cn1cc(-c2ncc(CNc3ccc(N4CCNCC4)cc3)s2)cn1 2325773005 HQRDEWYEAZMXMS-UHFFFAOYSA-N 354.483 2.565 0 50 FFAA COC(=O)c1cc2cc(COC(=O)[C@@H]3CC[C@H]([C@H]4CCCO4)O3)ccc2o1 2325781136 OGGFOFLMNHCENX-ZACQAIPSSA-N 374.389 2.989 0 50 FFAA CS(=O)(=O)[C@@H](CNC(=O)N1CCCc2occc2C1)c1ccccc1 2325790762 IKMUQOHGWIAZOD-KRWDZBQOSA-N 362.451 2.523 0 50 FFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 2325818872 BIMIOBKXUBSWRM-KURKYZTESA-N 354.837 2.961 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 1066673 SNKSCPKSINXMBV-ZDUSSCGKSA-N 350.415 2.927 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)NCC1(c2ccccc2)CCCC1 1132234 RCMDHTZMWRLIIT-UHFFFAOYSA-N 362.429 2.911 0 50 FFAA COc1ccc(N([C@H](C)C(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 1147239 KTJSXHJMDIYQTA-GFCCVEGCSA-N 366.414 2.628 0 50 FFAA COc1cc(CN2CCSCC2)cc(I)c1O 2893893 YAECLOJCUUJRKQ-UHFFFAOYSA-N 365.236 2.554 0 50 FFAA O=C([C@H]1CCn2nccc2C1)N1CCC2(CC1)OCCc1sccc12 2356157446 LHAOONKEXXMMDX-AWEZNQCLSA-N 357.479 2.598 0 50 FFAA Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2O)c(C)c1 4841589 ITMUJSCKSDAZOF-UHFFFAOYSA-N 354.435 2.834 0 50 FFAA O=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2ncccn2)CC1 6648847 SULURQUYCYSNTL-UHFFFAOYSA-N 351.237 2.675 0 50 FFAA O=C(CSCc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 6703309 HODIRXLGGQWGDL-UHFFFAOYSA-N 362.426 2.637 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)C1 6741886 RHAWVMBDVZUSKT-RBUKOAKNSA-N 374.456 2.917 0 50 FFAA Cc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C 7234980 QAGAGOSRSKCBLQ-UHFFFAOYSA-N 359.224 2.756 0 50 FFAA CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 20427269 CATVORFVDKUJLA-DNVCBOLYSA-N 352.390 2.616 0 50 FFAA CNC(=O)[C@@H]1CCCCN1C(=O)CCc1nc(C)c(-c2ccccc2)o1 171539364 VUNDIRLJVWRGAE-INIZCTEOSA-N 355.438 2.710 0 50 FFAA CCOC(=O)c1n[nH]cc1CN(C)[C@H]1CCCN(CCc2ccccc2)C1 20541071 UNFXTEPQWXYRGN-IBGZPJMESA-N 370.497 2.725 0 50 FFAA COc1ncccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 134360853 LCBKGOYJJULFIJ-IERDGZPVSA-N 365.433 2.957 0 50 FFAA Cn1c(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2F)nc2ccccc21 55168859 FUODXPGMHUIVLB-UGSOOPFHSA-N 350.397 2.702 0 50 FFAA COc1ncc(C(=O)NCc2cccnc2N(C)C2CCCCC2)cn1 67740215 BZGUQERHIKZJCG-UHFFFAOYSA-N 355.442 2.579 0 50 FFAA CNC(=O)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cccc(OC)c3)cc2)C1 65381521 MTIGIHIOLCADQF-QGZVFWFLSA-N 367.449 2.515 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(OC)c3)c2)cc1 2804867 OIKJHMAXRZKXSM-UHFFFAOYSA-N 373.434 2.749 0 50 FFAA CCC(=O)Nc1ccc(OCC(=O)N2CCC3(CCOCC3)CC2)cc1 71748870 FGFRXUAACHBMGO-UHFFFAOYSA-N 360.454 2.833 0 50 FFAA CCCc1nc(N2CCC[C@H](OCc3ccccn3)C2)c2cnn(C)c2n1 72148028 OWJRKYLWVFONTP-INIZCTEOSA-N 366.469 2.896 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1c1ccc(C)cc1 77300476 QBSWHRGCQJYYBK-VQTJNVASSA-N 366.461 2.870 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1F 363152235 SMLNBCVLTVHOGH-ZBFHGGJFSA-N 362.405 2.688 0 50 FFAA O=C(Cc1csc(-c2ccoc2)n1)N1CCN(Cc2ccccn2)CC1 155256638 QNYFSCWFNCRAKE-UHFFFAOYSA-N 368.462 2.685 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc[nH]c2C2CC2)n1C 366088162 OEFQKIDZNLJIQB-MRXNPFEDSA-N 354.454 2.958 0 50 FFAA O=S1(=O)CCC[C@H](NCc2cc3ccccc3nc2N2CCCCC2)C1 329264643 GTXIEUUGNIGYSK-SFHVURJKSA-N 373.522 2.892 0 50 FFAA CCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c2ccccc21 156869785 FRJVAABXBKBMSZ-QGZVFWFLSA-N 367.453 2.527 0 50 FFAA C[C@H](NC(=O)N1CC[C@@H](c2nccn2C)C1)[C@H]1OCCc2sccc21 333004510 XMYRGPLXBDXKGL-WOSRLPQWSA-N 360.483 2.683 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3cccc(C)c3C)ncn2)n1 72119226 PENLCVZMLSEKSZ-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA O=C(c1cnn2ccccc12)N1CCCN(C2Cc3ccccc3C2)CC1 77505472 FJQRMCHMWBSALA-UHFFFAOYSA-N 360.461 2.650 0 50 FFAA Cc1nc([C@H]2C[C@@H](NC3CCN(c4ccccc4F)CC3)C2)cc(=O)[nH]1 222922979 AVTCHFVOYGEERQ-KOMQPUFPSA-N 356.445 2.722 0 50 FFAA CC[C@](O)(C(=O)Nc1ccn(CCCOC)n1)c1cccc(Cl)c1 240744064 HUHSTLFMNYKOSE-QGZVFWFLSA-N 351.834 2.809 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nccn3C)CC2=O)cc1 82108861 HWRNONCUWPNTIP-UHFFFAOYSA-N 374.444 2.885 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(OC(F)F)c1 223211258 CDKVUOXBHAMVKB-MRXNPFEDSA-N 354.397 2.661 0 50 FFAA Cn1c(CO)nnc1CC1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 82137669 PERLSTXKLDBEJH-QGZVFWFLSA-N 374.485 2.597 0 50 FFAA COc1cccc(CCNC(=O)N2CC[C@H](N3CCCCC3)C2)c1OC 426533865 BXLKRJJZICVKDY-KRWDZBQOSA-N 361.486 2.516 0 50 FFAA Cc1ccc(C(N)=O)cc1-c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 426429123 YDRZBDBYMVFSHN-IBGZPJMESA-N 365.477 2.927 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)n1 426597382 JQJBHPIWEJPMRR-CQSZACIVSA-N 365.380 2.949 0 50 FFAA C[C@@H](CNC(=O)N(Cc1ccc2c(c1)OCO2)C1CC1)Oc1cccnc1 426719849 KJYLTWCHCNGNRP-AWEZNQCLSA-N 369.421 2.952 0 50 FFAA C[C@H](Sc1ccccn1)C(=O)N(C)Cc1nc(-c2ccncc2)no1 220364184 DTNJAIZDMOMBNM-LBPRGKRZSA-N 355.423 2.666 0 50 FFAA CN(CCNc1cc([C@H]2CCOC2)ncn1)Cc1ccc(Cl)c(F)c1 426359090 PTWKVENYIBWLKV-AWEZNQCLSA-N 364.852 3.317 0 50 FFAA COc1ccc(F)c(F)c1CN1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426509384 NMCOEPKUWWZRLL-GFCCVEGCSA-N 365.380 2.634 0 50 FFAA Cc1sc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)nc1-c1ccccc1 239030638 CDQHBOGABLAQTQ-AAVRWANBSA-N 356.403 2.711 0 50 FFAA CC[C@@]1(C(N)=O)CCCN(C(=O)c2ccc(-c3ccccc3CO)cc2)C1 426581041 VEMAHEZTBRKTJO-JOCHJYFZSA-N 366.461 2.964 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)Nc1cccn3nc(C)nc13)CC2 97657288 YVUDIHPIJGJARM-UHFFFAOYSA-N 367.409 2.645 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2cccc(-n3cnnc3)c2)cc1 91547488 DYANKOOJZDMIDQ-UHFFFAOYSA-N 358.405 2.691 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[C@@H](COc2ccccc2F)C1 92027956 WCMQGSBHOGNKST-CYBMUJFWSA-N 371.412 2.718 0 50 FFAA O=C(CCCOCc1ccccc1)N1CCCC[C@H]1CN1CCOCC1 91269773 HKZRFKUCPUQQIK-FQEVSTJZSA-N 360.498 2.697 0 50 FFAA CC(=O)N1CCCN(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)CC1 95508302 QTSFINBXKMOMLO-UHFFFAOYSA-N 353.426 2.538 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)c1cn(CC[C@@H]2CCCCN2)nn1 97117476 WSJDFTKHTQZJRE-IBGZPJMESA-N 367.497 2.619 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@H]1COc2ccccc2O1 244875036 XLMOSSRBUJDVMU-ZDUSSCGKSA-N 374.466 2.516 0 50 FFAA Cc1nc2cc(C(=O)N3CCN(CC4CC4)[C@@H](CCO)C3)ccc2s1 244724616 MXKFUJPCKDYZOL-INIZCTEOSA-N 359.495 2.524 0 50 FFAA COc1ccc(CN(C)C(=O)COC[C@H]2CCCCO2)c2cccnc12 244716021 LGXUFQHDTCELAT-MRXNPFEDSA-N 358.438 2.788 0 50 FFAA C[C@H](C(=O)NCc1ccc2cc[nH]c2c1)N(c1ccccc1)S(C)(=O)=O 244633611 GFXDTVOBTJRLOB-CQSZACIVSA-N 371.462 2.639 0 50 FFAA Cc1nc(O)cc([C@@H]2CCCN(C(=O)c3c(C)oc4c3C(=O)CCC4)C2)n1 244715921 LERDQKBVHWPNLV-CYBMUJFWSA-N 369.421 2.931 0 50 FFAA CC1(Cn2cc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)nn2)COC1 184474142 OFAYSXUKOKMEOG-UHFFFAOYSA-N 360.845 2.777 0 50 FFAA Cc1cccn2c(=O)cc(CNc3ccccc3C(=O)N3CCCC3)nc12 182565310 AMQXULKKQALFBR-UHFFFAOYSA-N 362.433 2.851 0 50 FFAA Cc1cccnc1CCNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 297644706 VIFBNKGVZDPYFN-HNNXBMFYSA-N 368.485 2.968 0 50 FFAA Cc1nc(CCNC(=O)N2CCN(c3ccccn3)CC2)sc1Cl 534647846 WVSUQPZSWURIGO-UHFFFAOYSA-N 365.890 2.574 0 50 FFAA Nc1nc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cs1 299798073 OYGMSZGUSLDDJN-UHFFFAOYSA-N 350.875 2.773 0 50 FFAA Cc1cc(NC(=O)NCCN2CCC[C@H](CO)C2)n(C2CCCCC2)n1 299775139 HTRSJEUMMJRYCD-INIZCTEOSA-N 363.506 2.523 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1 299802729 OBJLNLSIKAIKSD-UHFFFAOYSA-N 367.375 2.907 0 50 FFAA CCCc1cc(C(=O)N2CCOC3(CCN(Cc4ccoc4)CC3)C2)no1 823021568 RPZLVZQKUAARQI-UHFFFAOYSA-N 373.453 2.727 0 50 FFAA Cc1cnccc1N1CCN(C(=O)NCCCOC2CCCCC2)CC1 584888592 QDXPUHHFCBQZSR-UHFFFAOYSA-N 360.502 2.961 0 50 FFAA Cn1cc(CN(C(=O)NCCCc2nc3ccccc3o2)C2CC2)cn1 584892661 GRNLXQVCUYKFEV-UHFFFAOYSA-N 353.426 2.868 0 50 FFAA C[C@H](NC(=O)CN(C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 952966785 FKKQPHABGKFMJA-HNNXBMFYSA-N 355.438 2.552 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CN2CCc3ccccc32)CC1 170602477 AYIIJMCMQWIJQU-QGZVFWFLSA-N 373.497 2.955 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnn(C2CCOCC2)c1 269741741 NTUVEYUKSHFREI-SFHVURJKSA-N 361.467 2.509 0 50 FFAA CCc1nnc(-c2ccc(NC(=O)[C@H]3COCCN3CC3CCC3)cc2)o1 185771218 ZWMOPASUGZREFY-QGZVFWFLSA-N 370.453 2.738 0 50 FFAA CCc1cc(N2CCC[C@H](Nc3ccccc3S(=O)(=O)CC)C2)ncn1 276278054 HWVCWSMRCWMNAH-INIZCTEOSA-N 374.510 2.914 0 50 FFAA C[C@@H]1CN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CCN1CCO 188738159 ISHQCCQHIPWLIN-OAHLLOKOSA-N 373.522 2.556 0 50 FFAA Cc1ncnc(N2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)c1C 1506415075 URFWEKBUOMLLES-UHFFFAOYSA-N 368.485 2.827 0 50 FFAA COc1ccc(OCCCN2CCC[C@H](C(=O)c3nccn3C)C2)cc1 1506405570 VMMCMXDJSUWSIG-INIZCTEOSA-N 357.454 2.793 0 50 FFAA O=C1CO[C@H](C(=O)N2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)N1 1529153023 PALOZWSQWHXUPL-RTWAWAEBSA-N 364.445 2.649 0 50 FFAA CCOCC(=O)N1CCC(C(=O)Nc2c(C)cnn2C2CCCC2)CC1 1529173640 NXPICZDXSRYSAS-UHFFFAOYSA-N 362.474 2.520 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)ccc1Br 227187584 RIAOUBNWESUQLX-NWDGAFQWSA-N 361.305 2.505 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)c(OC)n1 1704342123 HPKSNHFLHCEUPT-UHFFFAOYSA-N 374.462 2.865 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCCC4)cc1 169769488 IXYBNKDTCHSYQZ-UHFFFAOYSA-N 350.422 2.712 0 50 FFAA CCOCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857670960 JKARNNOFJZYJFC-GFCCVEGCSA-N 351.834 2.850 0 50 FFAA Cc1cc(C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)cc(O)n1 1857701770 VUXUSDQIRROMMD-UHFFFAOYSA-N 362.433 2.737 0 50 FFAA Cc1sc2ccccc2c1C(=O)N1CCC(c2nnc(CO)n2C)CC1 1857710402 VRKHQLPBMQKRND-UHFFFAOYSA-N 370.478 2.850 0 50 FFAA CC(C)c1nccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)n1 1857717110 MJJXPVMUAQFOSM-OALUTQOASA-N 368.481 2.744 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1 1857738602 PLYWSYMCSCVTQA-JENIJYKNSA-N 358.482 2.520 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccc(Cl)cn1 154973881 CNNFZDDVUPWTCN-MRXNPFEDSA-N 357.841 2.699 0 50 FFAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccsc1 391831866 HDYKCKDXOPZRRL-CYBMUJFWSA-N 367.448 2.981 0 50 FFAA CCOCc1nc([C@H](C)NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)no1 823024168 YDRQHPAXAMOWKE-TVQRCGJNSA-N 373.331 2.536 0 50 FFAA Cc1c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)nc2ccccn12 1149266438 OPVIREZEMXKOLM-UHFFFAOYSA-N 355.829 2.654 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297566 WWKPKSXWISWXSD-DOMZBBRYSA-N 366.469 2.792 0 50 FFAA C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 1875344871 PWOCLGKLMBGXOA-CZUORRHYSA-N 358.486 2.834 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1Cc2cc(Br)ccc2[C@@H](C)C1 1875371866 OBNZYBHOFRLCHF-LBPRGKRZSA-N 365.271 2.929 0 50 FFAA Cc1nnc(N2CCC3(CC2)CC(NC(=O)[C@H]2CC[C@@H](C)C2)C3)nc1C 1875405407 FWMATHCUIKPGMN-CJNGLKHVSA-N 357.502 2.790 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc(Oc2ccccc2)o1 1875402533 ISEDNPZNRYHKDX-DJIMGWMZSA-N 367.405 2.838 0 50 FFAA NC(=O)N[C@@H](CC(=O)N1CC2(CCC2)[C@H]1c1cccnc1)c1cccs1 898409304 KZVBSJSTCIXUGP-WMLDXEAASA-N 370.478 2.996 0 50 FFAA CC(C)Oc1ccc(NC(=O)C2=NO[C@]3(CCNC3)C2)cc1C(F)(F)F 2325774992 PDUFHRGFJASGEK-MRXNPFEDSA-N 371.359 2.940 0 50 FFAA CC(C)C1=NO[C@@H](c2nc(-c3ccc(Cn4cnnc4)c(F)c3)no2)C1 2325783651 QUDNLGZRCMZSPF-OAHLLOKOSA-N 356.361 2.989 0 50 FFAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cn1ncc2ncccc21 2325793219 LIZGSZZOUFHUIY-LJQANCHMSA-N 370.428 2.789 0 50 FFAA CN1CCc2cc(C(=O)Nc3nccn3Cc3ccncc3)sc2C1 2325798226 XYQIBJRIEKEUIH-UHFFFAOYSA-N 353.451 2.628 0 50 FFAA Cn1cc(C2CCN(C(=O)C3=NO[C@@H](c4ccc(F)cc4)C3)CC2)cn1 2325811649 MNXXXCCKRSCAIM-GOSISDBHSA-N 356.401 2.783 0 50 FFAA O=C(c1ccc(-n2cccc2)cc1)N1CCC(S(=O)(=O)C(F)F)CC1 2325865199 RNPPDYGUDFPDLK-UHFFFAOYSA-N 368.405 2.719 0 50 FFAA CCOc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1109210 UXCCHRSSOPFYGH-AWEZNQCLSA-N 362.451 2.699 0 50 FFAA CCOc1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 2875495 CLEWCFRHMHCQEP-UHFFFAOYSA-N 357.439 2.871 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1cnc(-c2ccccc2)s1 2356145631 GETKKLZNYNLZNB-HXUWFJFHSA-N 371.506 2.759 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc(O)nc2C(C)C)n1 2356163968 YUOUUXFEBICQRD-CQSZACIVSA-N 374.441 2.850 0 50 FFAA Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)n1 4294802 QVCFSRNZEFWCRI-UHFFFAOYSA-N 371.466 2.769 0 50 FFAA COc1cc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)ccc1O 4519940 VTHZFPOLFKBNHD-CQSZACIVSA-N 351.358 2.732 0 50 FFAA CCOc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 54530123 XTTBSEAZJLKFGM-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1)c1ccco1 8022012 HGNCXNXAJNNXTO-CQSZACIVSA-N 362.432 2.681 0 50 FFAA COc1ccccc1N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 8200354 DHIXIUFXPIRTNF-UHFFFAOYSA-N 372.494 2.543 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)oc1C 225533212 MMOYLWYGADQXKO-AWEZNQCLSA-N 366.462 2.832 0 50 FFAA Cc1cccc([C@@H](NC(=O)CCC(=O)NC2CCCCCC2)C(=O)O)c1 55183262 VCYGRTJLNGFSSD-LJQANCHMSA-N 360.454 2.856 0 50 FFAA Cn1cc([C@H]2CCN(C(=O)NC[C@H](c3ccco3)N3CCCCC3)C2)cn1 116521045 HMFFMWYVOYLIKU-FUHWJXTLSA-N 371.485 2.739 0 50 FFAA O=C(Cc1ccc(F)cc1)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 465115633 XZXKIZPDEZHMLO-IBGZPJMESA-N 354.425 2.718 0 50 FFAA C/C=C(\C)CN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23358838 QUTLKPNCBSAPGA-VUGVYLIFSA-N 371.525 2.964 0 50 FFAA O=C1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(F)ccc2N1 20911599 MTLOHINIRJINIW-QGZVFWFLSA-N 369.396 2.727 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ccc(O)cc3)cnn2c1 67820527 YXWZQUMWJAMMFK-AWEZNQCLSA-N 367.453 2.768 0 50 FFAA O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc([C@H]2CCCN2)s1 23619000 IMSUYHPBCMRHOM-CQSZACIVSA-N 356.451 2.955 0 50 FFAA COC(=O)c1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 22932636 RUZGXZYPKSIOKL-FQEVSTJZSA-N 360.498 2.675 0 50 FFAA Cc1nc(CCNC(=O)[C@@H](C)n2ccnc2C(C)C)nc2c1CCCC2 65497573 SNPWXSCYEXXUID-OAHLLOKOSA-N 355.486 2.904 0 50 FFAA COc1ccc2nc(O)c(CN3CCN(c4ccncc4)CC3)cc2c1 65427370 AOYHCGIHWKTZHG-UHFFFAOYSA-N 350.422 2.666 0 50 FFAA CC(C)[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)Cc1ccccc1 252536942 JVPMGCYGWINNNY-KRWDZBQOSA-N 360.479 2.579 0 50 FFAA COc1cccc(-c2noc3c2CN(Cc2cc(=O)c(OC)co2)CC3)c1 67869030 ZQGWBULCQRYBTM-UHFFFAOYSA-N 368.389 2.870 0 50 FFAA COC(=O)c1cccc(NC(=O)c2cc3cccc(OC)c3oc2=O)c1 689192 VRJOYTLRYYQSEE-UHFFFAOYSA-N 353.330 2.841 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 4785309 YGFJHQRMOFMTGU-UHFFFAOYSA-N 366.377 2.880 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc12 72146636 YXDWARXMDVGMMU-MRXNPFEDSA-N 364.497 2.941 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(c2ccnc(C3CC3)n2)CC1 328630525 JLFJRFDTWMXSAK-MRXNPFEDSA-N 364.515 2.527 0 50 FFAA CCCN(CC)C[C@@H](C)NC(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 253431597 HRGZCRVAXYYDST-IKGGRYGDSA-N 362.518 2.545 0 50 FFAA Cc1cc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 72121845 NKRUJPJYDSUVPE-BHIYHBOVSA-N 371.435 2.712 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 172434017 UAOPNWBYBWJZEB-KRWDZBQOSA-N 362.495 2.659 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCOc3ccc(Cl)cc3C2)c1C 215924310 VRMFDDXBKUYHMP-UHFFFAOYSA-N 361.829 2.777 0 50 FFAA CN(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 131912725 YDRBOLBDICSTLD-UHFFFAOYSA-N 357.479 2.802 0 50 FFAA C[C@H](O)[C@H]1CN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)CCO1 333829507 SOUDGTVCHOEYAW-XOBFJNJYSA-N 351.472 2.660 0 50 FFAA COc1ccc2[nH]c(CN3CCN(Cc4nccn4C)CC3)c(C)c2c1 215517753 UDAXZXYPCSCPFL-UHFFFAOYSA-N 353.470 2.536 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc(Cl)ccc3OC)CC2)OC1=O 77422812 SRCLIFXNXAGATI-UHFFFAOYSA-N 352.818 2.796 0 50 FFAA O=C(O)CCNC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 262253393 QXRAOVTYMLKLJN-UHFFFAOYSA-N 358.341 2.962 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1cccc2cccnc12 238091032 LLNTUQXXGFKTJB-IJDCCNJMSA-N 354.406 2.730 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCc3ccc4c(c3)OCO4)n2)c1 72463673 DDEJYVNXFIELAF-UHFFFAOYSA-N 350.334 2.578 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1OCCc1ccccc1 219508580 GGVJRVCDEMLSGA-UYAOXDASSA-N 355.434 2.842 0 50 FFAA CC[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1N1CCOCC1 378177300 DJCIBYMVDUSKLZ-XJKSGUPXSA-N 367.877 2.923 0 50 FFAA Cc1ncc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)[nH]1 71750497 FVGDCEHTKYEDAC-AWEZNQCLSA-N 368.220 2.599 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48224023 MRICDQMHDOVTEZ-FQEVSTJZSA-N 366.465 2.788 0 50 FFAA Cc1cc(NCCN2CCOCC2)n2nc(-c3ccccc3)c(C)c2n1 40216616 HTQZZROGZDMVAZ-UHFFFAOYSA-N 351.454 2.757 0 50 FFAA O=C(Cc1cncnc1)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 290756265 OGAWJXBVNXZFNR-ZDUSSCGKSA-N 351.237 2.721 0 50 FFAA CSCCN1CCC(NC(=O)c2cnc(Nc3ccccc3)nc2)CC1 96151408 LYQAKUGPDOJOIZ-UHFFFAOYSA-N 371.510 2.777 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCCn2cccn2)C3)cc1 96180381 OOAJRCYNHNZAFJ-UHFFFAOYSA-N 365.437 2.647 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1ccccc1-c1ncc[nH]1 97604080 OZSXWLKNKQFLJX-SFHVURJKSA-N 351.406 2.978 0 50 FFAA Cc1nn(CCC(=O)N(C)Cc2cc(-c3ccncc3)no2)c(C)c1C 91526136 YNBCEVDVEHWNQD-UHFFFAOYSA-N 353.426 2.907 0 50 FFAA O=C(NC1CCCC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 22919054 XCSMVZQYBGXJCM-UHFFFAOYSA-N 368.481 2.665 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cccc([C@H]2CCCNC2)c1 95382970 WUSCYUITSXZCBS-KRWDZBQOSA-N 373.526 2.596 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@H]2C(=O)Nc2ccc(F)cc2)cc1 248015852 KYNBIPGSWHHCJK-VHSSKADRSA-N 374.437 2.782 0 50 FFAA COCCc1noc([C@@H]2CCCCN2Cc2nnc(-c3ccco3)o2)n1 243932251 BTSUSKKBWSTDDF-LBPRGKRZSA-N 359.386 2.629 0 50 FFAA Cc1ccc(CNC(=O)CCN2CCN(C3CCSCC3)CC2)cc1 244734358 NECLEVSRRXHYRD-UHFFFAOYSA-N 361.555 2.515 0 50 FFAA CCc1cc(CC[C@H]2COc3ccccc3O2)nc(N2CCOCC2)n1 252485636 HAVMAHSIGBFFOS-KRWDZBQOSA-N 355.438 2.648 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)C1(c2ccc(Cl)cc2)CCC1 252488997 JDKDHYAKUDZLQT-OAHLLOKOSA-N 350.890 2.582 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)Cc2nc(C)sc2C)n1 252483451 FBVCVSPDTDYBHV-AWEZNQCLSA-N 364.471 2.628 0 50 FFAA C[C@@H](NC(=O)N1CCOc2ccc(Cl)cc2C1)C1CCN(C)CC1 534658877 KLCXBUWOTJPWAM-CYBMUJFWSA-N 351.878 2.974 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NC4CCCCC4)c3CO2)cc1 263616671 JZVGYICIANVLMF-KRWDZBQOSA-N 356.426 2.621 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1 534653823 QVVCRSGHQMUHRN-QAQDUYKDSA-N 365.433 2.756 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3ccon3)CCCCC2)cc1 299790633 BPWZPSRLLOCVLL-UHFFFAOYSA-N 362.451 2.596 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC(C(=O)N3CCCC3)CC2)cc1 65371227 OHFQZSWAGFTBDC-UHFFFAOYSA-N 368.481 2.715 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccccc1)[C@@H]1CCCN(C2CCOCC2)C1 299771040 YPFZZWRBXBKTDZ-QGZVFWFLSA-N 368.481 2.584 0 50 FFAA CN1CCN2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]2C1 299790753 BWQXMKKINYWKEQ-SFHVURJKSA-N 366.465 2.942 0 50 FFAA Cc1nnc(CCNC(=O)N2CCCC[C@@H]2CCn2ccnc2C)s1 584887198 VBUFPWJBBIVDRJ-OAHLLOKOSA-N 362.503 2.548 0 50 FFAA CN(CC(=O)NCc1sc2ccccc2c1Cl)C1CCNCC1 670460160 CXHNKKJGJPIGIG-UHFFFAOYSA-N 351.903 2.855 0 50 FFAA CC(C)[C@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C(=O)O 1565506367 IAPWMKZRFDIEJO-CABCVRRESA-N 352.862 2.635 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@@H]2c2nncn2C)ncn1 275693600 MYFGAJXPLCGNMG-RKVPGOIHSA-N 371.489 2.562 0 50 FFAA CCc1cnc(CN(C)C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)s1 194796111 GONPJWJPLRPJMZ-KBPBESRZSA-N 374.510 2.986 0 50 FFAA Cc1ccn(CC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)c(=O)c1 195006458 CMWFJPOLTMKIAP-FQEVSTJZSA-N 351.381 2.597 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)COc2ccc3ccccc3c2)C1 779856856 LQRLDULSFIZWGF-QZTJIDSGSA-N 367.405 2.899 0 50 FFAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(N2CCOCC2)nc1 798022206 FMFCRZYSFWRZOX-WKILWMFISA-N 355.413 2.733 0 50 FFAA CCn1nc(C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529189564 RORJEGUHUMJGST-VQIMIIECSA-N 364.449 2.747 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(C[C@@H]4CCOC4)CC3)on2)c1 12094315 HEVYTLQDKMVKDQ-INIZCTEOSA-N 372.465 2.756 0 50 FFAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1C 12404387 PTWQPAYMASOBNV-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA O=C(c1ccc(=O)[nH]n1)N1CCc2onc(-c3cccc4ccccc34)c2C1 12708306 JREQNGPRFPFEHX-UHFFFAOYSA-N 372.384 2.777 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CNCc1ccc(C(F)(F)F)cc1 15063515 NOBQKGZPHAINLI-QGZVFWFLSA-N 356.388 2.559 0 50 FFAA CC(C)OCC(=O)NN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 4528557 SUOSLIFAWVCGCD-KPKJPENVSA-N 354.815 2.833 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)c2ccc(F)cc2n1 1857714671 GZTFBTWVRSWIMK-FOIQADDNSA-N 365.408 2.753 0 50 FFAA C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@](C)(C(=O)O)C1 237539498 VYEQTOFVQRVMEL-MEBBXXQBSA-N 356.216 2.540 0 50 FFAA Cc1cc(C(=O)N(C)CC(C)(C)CN2CCOCC2)nc2ccccc12 160079533 CEVTXOCBZQVPIG-UHFFFAOYSA-N 355.482 2.974 0 50 FFAA O=C(c1ccoc1C1CC1)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818494072 GCUKUKWDKAMQHX-LJQANCHMSA-N 357.410 2.627 0 50 FFAA O=C(Nc1cnn([C@H]2CCCCO2)c1)c1cc(C(F)(F)F)cnc1O 828144047 HHIKFFGCECJKKX-GFCCVEGCSA-N 356.304 2.954 0 50 FFAA Cc1cnc2c(C(=O)Nc3cc(N4CCOC4=O)ccc3C)ncn2c1 1875268385 FRTVENVVWHETTB-UHFFFAOYSA-N 351.366 2.555 0 50 FFAA O=C(NCC12CCC(CO)(CC1)CO2)N[C@@H](c1ccccc1)c1ccoc1 1875392395 NLAQCUQTRIODGD-PELRDEGISA-N 370.449 2.990 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(C(=O)CC3=CCCCC3)C2)ccn1 886095508 YLJPFAKRQBQEHA-LJQANCHMSA-N 357.454 2.588 0 50 FFAA c1cc(NC[C@@H]2COC3(CCOCC3)O2)nc(-n2cnc3ccccc32)c1 893101220 KYSWFCIQFBXPIX-OAHLLOKOSA-N 366.421 2.755 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C1 138290722 UDUJFFOJQVPNJB-CYBMUJFWSA-N 358.442 2.826 0 50 FFAA O=C(c1csc(-c2ncc[nH]2)n1)N1CCc2cc3c(cc2C1)OCCO3 2325761136 AYYXJBJYARNRSV-UHFFFAOYSA-N 368.418 2.503 0 50 FFAA CCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)sc1Cl 2325789816 PNWJCXMUGRIXQY-UHFFFAOYSA-N 364.901 2.773 0 50 FFAA CC(C)[C@H](F)CCCNCc1ccccc1N1CCS(=O)(=O)CC1 2325809876 WVJBTYBKKOOBIS-QGZVFWFLSA-N 356.507 2.785 0 50 FFAA C[C@H]1C[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)c3cnccn3)C2)CC(C)(C)C1 2325855002 CWOZFYZJDIZQRX-LJIGWXMPSA-N 358.486 2.516 0 50 FFAA Cc1ccccc1OCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 1140628 TWTMDBVQZFABRG-GOSISDBHSA-N 368.433 2.921 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1c(Cl)cccc1Cl 2356135672 OIIMGVUPKJRSBT-QGZVFWFLSA-N 357.281 2.943 0 50 FFAA O=C(COc1ccc(F)cc1)N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2 4660930 JNQNLSSFEOEBJH-TXTVKVCSSA-N 361.413 2.990 0 50 FFAA biogenic COc1ccc(OC)c2c1cc(C(=O)NCC1CCC(C(=O)O)CC1)n2C 6719403 PODWZCWMESZPGN-UHFFFAOYSA-N 374.437 2.816 0 50 FFAA O=C(NCCCN1CCOCC1)c1ccccc1CCc1ccccc1 20500066 FUBSLVUWHVYOQE-UHFFFAOYSA-N 352.478 2.924 0 50 FFAA CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cnc(C(C)C)s2)C1 225624322 FEBJPUZMMHNTID-QGZVFWFLSA-N 354.472 2.698 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)CCn1c(CO)nc2ccccc21 55107875 HYBGLVPKONLWDH-UHFFFAOYSA-N 372.513 2.643 0 50 FFAA Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1 21795001 HGEQDFHCJMBIHK-UHFFFAOYSA-N 354.458 2.514 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@@H](N2CCCC2=O)C1 111058043 RCTQSMLGFSVUCY-CQSZACIVSA-N 354.372 2.861 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)[C@@H]1C 67855040 HBSXTFKPKIKNEJ-JTQLQIEISA-N 353.344 2.989 0 50 FFAA CCn1cc(-c2nnc(SCC(=O)O)n2[C@@H](C)c2ccccc2)cn1 67433542 ZUYRSZJEXVCMRZ-LBPRGKRZSA-N 357.439 2.948 0 50 FFAA CCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1ccc(-n2ccnc2)cc1 72426465 GONPSCLRXUYNCP-OAQYLSRUSA-N 373.464 2.960 0 50 FFAA CC[C@H](NC(=O)C1(Oc2cccnc2C)CCNCC1)c1cccnc1 65398671 HIRZLGMAZLUKGV-KRWDZBQOSA-N 354.454 2.554 0 50 FFAA O=C(c1ccco1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 12208248 PRWZQLPXWLLBIV-NRFANRHFSA-N 352.434 2.977 0 50 FFAA Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C 601254 AQCHWTWZEMGIFD-SNVBAGLBSA-N 365.842 2.714 0 50 FFAA biogenic,fda Cn1cnnc1[C@H]1CCCN1C(=O)Cc1cccc(OCC(F)(F)F)c1 120524237 KIPZPOSHHMZYTQ-CQSZACIVSA-N 368.359 2.662 0 50 FFAA CCCc1nc(N(C)Cc2ccc3nsnc3c2)c2cnn(C)c2n1 72476000 UVWLWOHTSSVJHP-UHFFFAOYSA-N 353.455 2.957 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc([C@H]3CCCCO3)s2)CC1 216438574 SBJHONXWZWMPMW-OAHLLOKOSA-N 358.529 2.503 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@@H](N3CCCC3)C2)[C@H]1c1ccccc1 363531724 XLYWLSTWADSYPV-SVFBPWRDSA-N 369.509 2.683 0 50 FFAA O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1csnn1 12715888 JXXOKFFRMKRJSC-LBPRGKRZSA-N 361.377 2.809 0 50 FFAA CC[C@H](Sc1nc2ccccc2o1)C(=O)NCCN1CCCOC1=O 219996424 YDOWIMMAUHVDGS-AWEZNQCLSA-N 363.439 2.657 0 50 FFAA CC(=O)N[C@H](C(=O)N1CCC(c2ccccc2CO)CC1)C1CCCC1 369025234 KXWAHAGZNAARFO-FQEVSTJZSA-N 358.482 2.580 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1scc2c1OCCO2 216467232 HQEFYLYNNFEBFS-UHFFFAOYSA-N 355.419 2.694 0 50 FFAA Cc1ccc(-n2nnnc2N2CC[C@H](OCc3csc(C)n3)C2)cc1 377177521 VICZKBXKEHOVNJ-INIZCTEOSA-N 356.455 2.531 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3ccccc3C)ncn2)n1 72446681 GVWGYMSATOGDRI-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)c2)n1C 378215099 QYKOCJQFKQCBHP-UHFFFAOYSA-N 361.405 2.928 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccc(C)n3)ncn2)cc1 72117681 OFGYEDMYPZKMIV-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccc(OC)cc1)CC2 14541268 RPNMFNMBQCKKLT-UHFFFAOYSA-N 368.481 2.610 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1ccc2c(c1)CCC2 222586122 VKYOGSLGNYGFTG-MSOLQXFVSA-N 358.463 2.736 0 50 FFAA Cc1ccc(F)cc1NC(=O)CNc1ncnc2sc3c(c12)CCNC3 199322343 RRDQPXSZQCYHJN-UHFFFAOYSA-N 371.441 2.835 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NCCCn1ccnn1 96132838 PXWIWTKRCVJCMT-UHFFFAOYSA-N 370.457 2.927 0 50 FFAA O=C(NCCc1nc(C2CC2)no1)Nc1cnn(Cc2cccc(F)c2)c1 95518490 YSRQGOMUHCLQNY-UHFFFAOYSA-N 370.388 2.695 0 50 FFAA O=C(CCOc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91269637 AIZDSYQWYPIDAK-AZUAARDMSA-N 365.477 2.974 0 50 FFAA COCc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)s1 96166577 TUOMNESWFZJOMO-AUUYWEPGSA-N 373.430 2.598 0 50 FFAA COc1ccccc1N1CCN(Cc2ncc(C)c(OC)c2C)CC1=O 91713745 YUOUZUGHARNHAY-UHFFFAOYSA-N 355.438 2.564 0 50 FFAA Cc1ncc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c(-c2ccccc2)n1 91617093 ZIBCJCYJGSJOQG-OAQYLSRUSA-N 364.449 2.537 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 95366079 YZEFIFQUSZVWBG-HNNXBMFYSA-N 357.435 2.678 0 50 FFAA CCc1c(C)nn(Cc2nc(-c3ccncc3)nn2C[C@H](O)CC)c1C 96130782 SUOKDKOTLJYFMB-MRXNPFEDSA-N 354.458 2.535 0 50 FFAA CN(C)[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1cccc(F)c1 95372452 PBZRYAPHFQMZLQ-IBGZPJMESA-N 356.441 2.939 0 50 FFAA Cc1nc(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)sc1C 91645046 HBMJBBCEONFOKU-UHFFFAOYSA-N 363.527 2.847 0 50 FFAA Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)ccc1Cl 92020802 KEPHWGYNYUOJOZ-IAGOWNOFSA-N 350.890 2.815 0 50 FFAA CCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 95516870 UQGQQVLHDMIPFB-HNNXBMFYSA-N 362.470 2.749 0 50 FFAA CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)c2ccccc2n3C)C1 243885692 ABOBGGIYAQDCEM-MRXNPFEDSA-N 363.461 2.859 0 50 FFAA Cc1cnc(C)c(N2CCN(Cc3cncn3Cc3ccccc3)CC2)n1 243932519 BWSGRPHYQXZILF-UHFFFAOYSA-N 362.481 2.660 0 50 FFAA COCc1noc([C@@H](C)N2CCN(Cc3ccc(Cl)cc3)CC2)n1 181511940 AXDSDRFDMGVELV-CYBMUJFWSA-N 350.850 2.748 0 50 FFAA CCN(C)C1(CNC(=O)N[C@H](CO)c2ccc(F)cc2)CCCCC1 534668575 PQKLZJPDWYPUFD-QGZVFWFLSA-N 351.466 2.813 0 50 FFAA CCn1nc(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)c2ccccc21 534648004 LVEALJSCJZZOOR-INIZCTEOSA-N 366.469 2.875 0 50 FFAA CCCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@H](C5)C4)nc2n(CCC)c1=O 100100396 PJBFVWGQFLYWCB-PVXVLGKLSA-N 356.470 2.784 0 50 FFAA biogenic,investigational O=C(O)CN1CCC(NC(=O)c2ccccc2-c2ccccc2F)CC1 299768998 HSBQVUMMQNWAEG-UHFFFAOYSA-N 356.397 2.772 0 50 FFAA COCCn1c(C)cc2cc(NC(=O)N3CCc4n[nH]cc4C3)ccc21 299768974 KPBGMXVVYBUCKA-UHFFFAOYSA-N 353.426 2.909 0 50 FFAA COCC(=O)N1CCC(Oc2cc(CN(C)C(C)C)ccc2OC)CC1 299761146 SGZGLICZFPBLMK-UHFFFAOYSA-N 364.486 2.552 0 50 FFAA Cc1cc(C(=O)NCC2CCN(C[C@H]3CCOC(C)(C)C3)CC2)nc(C)n1 825264570 YDIFSBQMWUFEPC-SFHVURJKSA-N 374.529 2.740 0 50 FFAA CN1CCCCC[C@@H]1c1nc(-c2cccc3c2ccn3C)nn1CCO 828776695 KFWYYGMQZRQUQN-GOSISDBHSA-N 353.470 2.976 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCN(Cc3ncccc3C)CC2)N(C)C)c1 823646275 CGYDNGPXVYHPRE-NRFANRHFSA-N 366.509 2.646 0 50 FFAA CCc1nccn1CCC(=O)NCc1nc(-c2ccccc2Cl)no1 823557189 FXQZZVSDRKOJDH-UHFFFAOYSA-N 359.817 2.855 0 50 FFAA O=C(NCCCn1cc(Cl)cn1)N1CCC(O)(c2ccccc2)CC1 584887977 ZKMCHBZCKIBVTD-UHFFFAOYSA-N 362.861 2.620 0 50 FFAA CNC(=O)Cc1nc(-c2ccc(OC)cc2)cc(-c2c(C)noc2C)n1 823825782 WGPFHEHETKTGGE-UHFFFAOYSA-N 352.394 2.713 0 50 FFAA O=C(NCCCN1CCCC[C@H]1CO)c1cccc(OC(F)(F)F)c1 584903547 LYLQLSYWJPAQOW-AWEZNQCLSA-N 360.376 2.552 0 50 FFAA Cc1nn(CCCNC(=O)c2csc(-c3ncccn3)n2)c(C)c1C 584886449 RRTBFLSAZZVNQU-UHFFFAOYSA-N 356.455 2.542 0 50 FFAA Cc1ccc(=O)n(CC(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)n1 670455903 JBOSRTMJSVRUBM-KRWDZBQOSA-N 369.396 2.622 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)[C@H]3CC(=O)OC34CCCC4)cc2)CC1 952860672 QXIWLJZZKPIIKE-GOSISDBHSA-N 372.465 2.974 0 50 FFAA O=C(CCn1cnc2ccccc21)NCc1nc(Cc2cccs2)no1 952969739 JQKVVZYDUSYFGK-UHFFFAOYSA-N 367.434 2.778 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1ccc2ncsc2c1 1565515332 LHUVWBNAMRDRLO-GJZGRUSLSA-N 355.419 2.658 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cc(N2CCCCC2)ccc1Cl 1565512876 KMPSLUKHGANYNF-IRXDYDNUSA-N 352.862 2.864 0 50 FFAA Cn1nc2c(c1CN(Cc1ccccc1)[C@H](CO)C1CC1)CSCC2 894466711 LDLUNRVJEJDSSV-HXUWFJFHSA-N 357.523 2.983 0 50 FFAA Cn1nc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 187216108 AOMKRCLHMYJPKT-UHFFFAOYSA-N 357.502 2.724 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 190563841 OOSVSUUUTUVYKX-HZPDHXFCSA-N 351.516 2.549 0 50 FFAA Cc1cccc(-n2c(C)c(C)c3c(NC(=O)[C@@H]4COCCO4)ncnc32)c1 191960139 IFXAKINUHDWZCQ-INIZCTEOSA-N 366.421 2.700 0 50 FFAA Cc1ccc(N2CCC(C(=O)N3CCC(c4nc(C)no4)CC3)CC2)nc1 194189136 RUKNXHVVQPRIFP-UHFFFAOYSA-N 369.469 2.704 0 50 FFAA CCN1CCN(C(=O)c2ccc(N3Cc4ccccc4C3)cc2)[C@@H](C)C1=O 1506399327 DXQWHIVCRSIBRY-INIZCTEOSA-N 363.461 2.900 0 50 FFAA COc1cc(Cl)cc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 1529185570 NUXKTCZQTYQDHD-OSAQELSMSA-N 350.846 2.678 0 50 FFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1 1529180714 JJTVQNBLJCJSMS-CYBMUJFWSA-N 353.430 2.758 0 50 FFAA CCOc1ccccc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 5714084 CXEXVZUVFUSEIJ-UHFFFAOYSA-N 370.515 2.648 0 50 FFAA Cc1nonc1OCCNC(=O)c1csc2nc(-c3ccccc3)cn12 11664743 QWFVQRCKJYXFFB-UHFFFAOYSA-N 369.406 2.563 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)nn1C 12024691 NZQAXGPRAZPRQH-OAHLLOKOSA-N 367.371 2.831 0 50 FFAA CSc1nnc(CNC(=O)Cc2c(C)noc2C)n1Cc1ccccc1 12039395 HAMYWDKKAWTOLC-UHFFFAOYSA-N 371.466 2.512 0 50 FFAA COc1cccc(CN2CCC[C@](O)(CNC3CCCCCC3)C2=O)c1 12613186 XXWRKFJPFJVKMU-NRFANRHFSA-N 360.498 2.861 0 50 FFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 13331053 LLGXHWOGKZBNRJ-AWEZNQCLSA-N 360.845 2.555 0 50 FFAA O=C(c1cccnc1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 15072220 BZLLQKAHMFALEH-OAQYLSRUSA-N 367.424 2.876 0 50 FFAA O=C(Nc1ccccc1)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19338526 RSKVOTCZZFNCLP-LLVKDONJSA-N 352.649 2.837 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 219323745 KNROQGRKFOOYKO-QOKNQOGYSA-N 360.404 2.791 0 50 FFAA C[C@@H]1CN(C(=O)Cc2cn(C)c3ccccc23)CCN1c1ccc(F)cn1 1857678268 LCNRFBMQHBGCSO-OAHLLOKOSA-N 366.440 2.992 0 50 FFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857717027 IICYZYBHJVCKTL-NQIIRXRSSA-N 366.392 2.666 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857734296 OUBUZAXMWNFZOU-OKZBNKHCSA-N 369.465 2.878 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1O 1857738594 PBXTTZNLADQNKY-WSTZPKSXSA-N 352.434 2.645 0 50 FFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H](C(=O)O)C1 237037066 JFTXSXGVGIJUMI-AAEUAGOBSA-N 354.244 2.951 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCNC[C@@H]2C)cc1OC 126222328 IUPQDFOCKPZELA-NSHDSACASA-N 371.275 2.680 0 50 FFAA CCCn1ncc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)c1C 247829106 KKZDUMRJNQMOGM-SJORKVTESA-N 371.437 2.630 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(C)s1)C2 248235242 BWWQOTMAAKSQLL-CABCVRRESA-N 368.524 2.634 0 50 FFAA CC(C)CN1CCO[C@H](CNC(=O)Nc2cnc(-c3ccccc3)nc2)C1 145851614 AXNULZSDDNLVFW-GOSISDBHSA-N 369.469 2.622 0 50 FFAA CC(C)CCn1ccc(NS(=O)(=O)c2ccc(C(=O)O)c(F)c2)n1 489553798 RSRGYZWKOMRUFK-UHFFFAOYSA-N 355.391 2.567 0 50 FFAA O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cnn2cccnc12 265854381 VUKVEMKIWNSICK-ZDUSSCGKSA-N 355.373 2.712 0 50 FFAA C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCC(N2CCCC2=O)CC1 1875326689 HZLIWIMTSVSBQE-GWFLUQINSA-N 373.497 2.731 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N(C)c2nncs2)cc1Br 2325765172 RDCNJFUMNCIZBV-UHFFFAOYSA-N 362.274 2.743 0 50 FFAA Cc1cc(NC(=O)N2CCN(S(C)(=O)=O)C[C@@H]2C)c2ccccc2c1 2325781575 KLFBABNDVBUUTL-AWEZNQCLSA-N 361.467 2.646 0 50 FFAA C[C@H]1CC(F)(F)CN1C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 2325783244 HGOKUMVZEYQLCF-DAVUEJTQSA-N 352.362 2.880 0 50 FFAA Cc1cccc([C@H](CN(C)C)NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 2325858956 HVBFONKEZRTPEZ-SFHVURJKSA-N 365.481 2.926 0 50 FFAA Cc1ccccc1C(=O)NC[C@H](C)CNC(=O)Cc1cc(C2CC2)on1 2325867806 GGZWOOYXWJZTKC-CYBMUJFWSA-N 355.438 2.585 0 50 FFAA Cc1c(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)oc2ccc(F)cc12 898237722 MDUHQPIXIBMAQM-JTQLQIEISA-N 357.341 2.711 0 50 FFAA Cc1nnc([C@H]2CN(Cc3cnc(N(C)C)c4ccccc34)CCO2)o1 930264045 OIZVORZPGWTTAD-QGZVFWFLSA-N 353.426 2.566 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1)c1ccccc1 1088662 MMIQEAZQBGGRID-QGZVFWFLSA-N 360.435 2.644 0 50 FFAA O=C(CN1CCCCC1)Nc1ccccc1NC(=O)CN1CCCCC1 1158263 UKVZLCBSVRNUCC-UHFFFAOYSA-N 358.486 2.535 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467683 PQSZLRGCCQTTIW-LBPRGKRZSA-N 368.455 2.927 0 50 FFAA O=C(CSc1nnc2ccccn12)Nc1nsc(-c2ccccc2)n1 2696232 DUSVKYPBTYVAAS-UHFFFAOYSA-N 368.447 2.979 0 50 FFAA Cc1cccc(C(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)c1 2844386 XSTHJZHZLNEBML-UHFFFAOYSA-N 366.446 2.958 0 50 FFAA NC(=O)C1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 2983221 KGNGPEYPDYVWAA-UHFFFAOYSA-N 359.253 2.876 0 50 FFAA CCOCCC(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356166325 SXLIKSYMKSIOBI-OAQYLSRUSA-N 358.482 2.639 0 50 FFAA COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O 4998781 CGQOGURMIRMKPG-VXGBXAGGSA-N 369.259 2.579 0 50 FFAA CC(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9935648 BWYZGKFUYHBOCC-JOCHJYFZSA-N 373.412 2.709 0 50 FFAA biogenic Cc1cc([C@H](C(=O)O)N(C)Cc2nc(-c3ccncc3)no2)ccc1F 55393483 CEIHOLAUKOJACB-MRXNPFEDSA-N 356.357 2.837 0 50 FFAA C[C@@H](c1nnnn1C1CC1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 248819912 FKEFJJFZRJMDHO-DZGCQCFKSA-N 364.457 2.734 0 50 FFAA CCN(C(=O)C1(Oc2ccc(Cl)cc2)CCNCC1)C1CCOCC1 65534610 AJSOWQGEXRPOCG-UHFFFAOYSA-N 366.889 2.869 0 50 FFAA Cc1ncc(C(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)cn1 20323713 OEBCAHPFIZRZHD-UHFFFAOYSA-N 354.458 2.587 0 50 FFAA CC1(C)C[C@@H](NC(=O)N2CCC(c3nnc[nH]3)CC2)c2ccccc2O1 121133345 ZYLQUIRRMLTCAV-OAHLLOKOSA-N 355.442 2.996 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 331280363 KLUMJPBMIVFNKL-WNMQOVRZSA-N 361.408 2.740 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc(COc4ccccc4)[nH]n3)C2)n1 67872011 KGKIINKSFPVICE-QGZVFWFLSA-N 365.437 2.889 0 50 FFAA Cc1ccc(NC(=O)CC(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1 65488768 KXXGWCZVEQTTBB-AWEZNQCLSA-N 371.412 2.915 0 50 FFAA CCn1cc([C@H](C)NC(=O)CCn2cc(Br)c(C)n2)c(C)n1 2805018 FREYYCSMILWNOV-JTQLQIEISA-N 368.279 2.746 0 50 FFAA O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1Cc1ccccc1 30903957 YCYHVDGHJIQNDH-HXUWFJFHSA-N 359.429 2.854 0 50 FFAA biogenic Cc1cc(O)ncc1C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 328650178 VJCIPRXKAFYFSA-INIZCTEOSA-N 357.479 2.942 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)NC[C@H](c1ccccc1)C(C)(C)CO 122953523 UKVLTKPUYGKXEI-GOSISDBHSA-N 358.486 2.638 0 50 FFAA CC1=NN(C(=O)[C@H](C)n2nc(C)c(Cl)c2C)[C@](O)(C(F)(F)F)C1 6526566 BQLZOIDOZHVFDT-JOYOIKCWSA-N 352.744 2.573 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCC3(CC1)CN(C)C(=O)O3)c(C)n2C 77537539 ITVDGHJNRSKFBW-UHFFFAOYSA-N 371.437 2.552 0 50 FFAA COC[C@H](C)C1CCN(c2nc(-c3cccnc3)nc3c2cnn3C)CC1 72171532 PIOBQEXRBAXUOI-AWEZNQCLSA-N 366.469 2.924 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CCC1=O 77565155 AYTZOKHCSIOOMR-NRFANRHFSA-N 373.497 2.637 0 50 FFAA C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 332696867 RUCFAIHQSRVVLG-XHBSWPGZSA-N 355.841 2.613 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)cc1 72147944 QPFJIHROSRWUDW-JOCHJYFZSA-N 364.445 2.911 0 50 FFAA O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccnc(-c2ccc(Cl)cc2)n1 376975564 UDWDDBNDTKNYFJ-ZDUSSCGKSA-N 353.813 2.807 0 50 FFAA Cc1cncn1C1CCN(C(=O)c2ccc(O[C@H]3CCOC3)cc2)CC1 369248311 DWTBRBRMWPZCSE-IBGZPJMESA-N 355.438 2.837 0 50 FFAA CN(CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1)C1CCNCC1 71479498 WZLHJYUNTSVOOK-GOSISDBHSA-N 361.505 2.681 0 50 FFAA Cn1cc(CN2CCC(C(=O)O)(n3ccnc3)CC2)c2cc(F)ccc21 72422694 SQOUMAMSLSRNQR-UHFFFAOYSA-N 356.401 2.590 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 71757272 HVQFDDGRXHJAIT-SFHVURJKSA-N 369.509 2.590 0 50 FFAA CCC(CC)CNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71759350 WDBZCASJQFYUEL-INIZCTEOSA-N 361.486 2.528 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@]2(C(=O)O)CCOC2)c1 262977345 QMOXXTWPWAOUOI-HXUWFJFHSA-N 355.390 2.726 0 50 FFAA CN1CCN(CCOc2ccccc2CN2CCC(F)(F)CC2)CC1 215769843 QYMLKZNFTHXHRV-UHFFFAOYSA-N 353.457 2.544 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)Cc3ccc(CO)cc3)C2)cc1 72478694 AFNAZTNNDWMWNK-SFHVURJKSA-N 353.418 2.511 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)Nc1cccc(Cl)c1 82230481 WGXWWZXBNGVBHA-UHFFFAOYSA-N 360.849 2.964 0 50 FFAA Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1CCN(c2cnccn2)CC1 178235223 VIJODADQRSHGSS-OAHLLOKOSA-N 352.438 2.816 0 50 FFAA Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@H](C(=O)O)C(C)C)ccc12 263573861 MZBPXFLGRQSZHI-INIZCTEOSA-N 352.394 2.568 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-c4cnc[nH]4)c3)C2)n[nH]1 426528125 WOJONLAAGGQWRT-AWEZNQCLSA-N 351.414 2.915 0 50 FFAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2cncn2C)c1 426621753 QJKKUDKWAUWYSD-OAHLLOKOSA-N 368.481 2.806 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4cccnc4)C3)CCC2=O)cn1 91952048 UBABQUIEQJCLFF-NRFANRHFSA-N 365.481 2.585 0 50 FFAA CCc1nnc(CNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)s1 97475598 PEZOCCHPKQVATL-NSHDSACASA-N 359.455 2.938 0 50 FFAA COCc1noc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)n1 91657058 MMZHXRMTXRZJPL-GOSISDBHSA-N 370.497 2.918 0 50 FFAA Cn1c(C(=O)N2CCC(CN3CCOCC3)CC2)ccc1-c1ccccc1 95379845 MAIKMYWGDUJZKU-UHFFFAOYSA-N 367.493 2.877 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)CN2C(=O)OC[C@@H]2C(C)C)CC1 95501165 DZTOAMOJFGBLJJ-GOSISDBHSA-N 359.470 2.511 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(F)cc2)C[C@@H]1CO 91305693 PCVDXDALBPJZTQ-IAGOWNOFSA-N 356.441 2.735 0 50 FFAA O=C(NCCCN1CCCC1=O)Nc1cccc(NC(=O)C2CCCC2)c1 95498944 KRPAQERVSPGARH-UHFFFAOYSA-N 372.469 2.949 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)CC1 95508113 BVGONGPZVUAZCX-KRWDZBQOSA-N 350.434 2.968 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)CCc1cn3ccccc3n1)C2 95519712 BEABWARIOUALBP-OAHLLOKOSA-N 365.433 2.643 0 50 FFAA CCC1=NO[C@H](CNC(=O)Nc2ccccc2OC2CCN(C)CC2)C1 95499797 FMTSJDHQOSXFGM-INIZCTEOSA-N 360.458 2.836 0 50 FFAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@H]42 244882435 XRPYAYHSAWCBAV-GCRDPWIXSA-N 364.239 2.544 0 50 FFAA COc1ccccc1[C@H]1CCCN1CCC(=O)N1CCC(C(=O)O)CC1 244866572 VYMFTERATXILEU-QGZVFWFLSA-N 360.454 2.545 0 50 FFAA C[C@@H](NC(=O)N1CCOC[C@@H]1c1nc[nH]n1)c1cc(Cl)ccc1Cl 298431684 SIUQVRDCRIHJBC-NOZJJQNGSA-N 370.240 2.956 0 50 FFAA COc1ccccc1-n1cc([C@H](C)NC(=O)NCC2(O)CCCCC2)cn1 534660569 UYKMXLYBEQVBGD-HNNXBMFYSA-N 372.469 2.936 0 50 FFAA O=C(NCCSCc1ccccc1)C1CCN(C2CCOCC2)CC1 299792834 GLBQOTUDWIPHDL-UHFFFAOYSA-N 362.539 2.927 0 50 FFAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299795862 LFKFNUZUZAJFEI-LSDHHAIUSA-N 366.343 2.591 0 50 FFAA CN1CCN(CCC(=O)NCc2cccc(Oc3ccccc3)c2)CC1 299795204 KLYSTIKDGQVTLB-UHFFFAOYSA-N 353.466 2.733 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc(C)cc3OC)cc2C1 299766668 DXRQWUNQGYPOPP-UHFFFAOYSA-N 356.470 2.746 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](CCN(C)C)c2ccccc2)nc(O)n1 299790548 BKZSEZAQMXBCOS-QGZVFWFLSA-N 356.470 2.804 0 50 FFAA Cc1ccccc1CSCC(=O)NC1CCN(C[C@H]2CCCO2)CC1 299765429 GPYWBLRJNUEFHG-LJQANCHMSA-N 362.539 2.988 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1onc2c1CCCC2 828925431 ULDWZRKCRGVKOH-OAHLLOKOSA-N 355.438 2.653 0 50 FFAA CC[C@H](NC(=O)N1CC(c2ccncc2)C1)c1ccc(S(C)(=O)=O)cc1 584884748 SJFYKPFNSBMOQO-SFHVURJKSA-N 373.478 2.745 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cnc(O)c3ccccc23)C[C@@H]1c1ccccc1 1565511075 RSVVOXZOYYZGIR-MSOLQXFVSA-N 362.385 2.881 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1 1565513464 OSLKHJPLASJSHR-RANZSIQMSA-N 368.399 2.616 0 50 FFAA CCOC(=O)C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)cc1 170594623 JSRHJZDMRDJWML-KGLIPLIRSA-N 357.472 2.785 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1cc([C@@H]3CCCO3)nn1C)C2 278900016 FRWMHMYYXSOIQZ-KRWDZBQOSA-N 356.426 2.870 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2nc3cc(Cl)ccc3n2C)cn1 275560682 NUYLKHAVSZODBZ-KBXCAEBGSA-N 359.861 2.970 0 50 FFAA Cc1ccc(OCc2cccc(C(=O)N[C@@](C)(C(=O)O)C3CC3)c2)cn1 191068280 LJTQPHIRXJAVPL-HXUWFJFHSA-N 354.406 2.952 0 50 FFAA O=C(c1csc(Cc2cccc(F)c2)n1)N1CCOC[C@]12CCOC2 194446946 OWHFYOSCSAEXNZ-GOSISDBHSA-N 362.426 2.505 0 50 FFAA O=C1N[C@H](CC(=O)N2CCOc3ccc(Cl)cc3C2)c2ccccc21 1506398107 VRXMUXTXIAZXFL-MRXNPFEDSA-N 356.809 2.936 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cncnc3)CC1)OCC2 1704301133 LVTJBGWOKOJYLN-UHFFFAOYSA-N 355.438 2.558 0 50 FFAA CC(C)N1CCCn2nc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)cc2C1 209954454 MOKFODIIPOTEAU-BQFCYCMXSA-N 354.498 2.829 0 50 FFAA Cc1cc(N2CC[C@H](C(=O)O)[C@H](O)C2)c2ccc(C(F)(F)F)cc2n1 1772700409 ACTFVYMLABNYTL-SWLSCSKDSA-N 354.328 2.834 0 50 FFAA COc1ccc([C@H](CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)cc1 12298281 RRGQRJLKSGAHGS-HXUWFJFHSA-N 366.461 2.941 0 50 FFAA COC[C@H]1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)C1 12431761 OYLRHDNZWJLTHO-AWEZNQCLSA-N 358.394 2.565 0 50 FFAA CCNC(=O)N1CCC[C@@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 12576339 ZAWAMRPUYWIAIZ-SFHVURJKSA-N 354.397 2.882 0 50 FFAA CN(C(=O)CCCn1cncn1)[C@H]1CCCN(CCCc2ccccc2)C1 12591972 ZEVFFJYJQILNGJ-FQEVSTJZSA-N 369.513 2.614 0 50 FFAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cn(C2CCCCC2)nn1 12709381 MVBNAIBKRDGOGL-OAHLLOKOSA-N 356.426 2.743 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N(C)Cc1cc(Cl)cn1C 1857531147 YCWYJLVCVWYEEB-MNOVXSKESA-N 350.850 2.706 0 50 FFAA c1ccc(Cc2noc(Cn3ccnc3-c3cnn4cccnc34)n2)cc1 1857692965 BNRNRTORORXIFL-UHFFFAOYSA-N 357.377 2.615 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cn3)[C@@H](C)C2)c2c(C)noc2n1 1857710693 KLBXCRRYSRPQRP-LBPRGKRZSA-N 369.400 2.725 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccc(Cl)o3)C[C@]23CC[C@H]1O3)C1CCC1 1857725176 LOQXCTZYIXKSCS-WFXMFSGNSA-N 364.873 2.829 0 50 FFAA Cc1ccc(CN(C)C(=O)NCC2CCN(CC(F)(F)F)CC2)nc1 239762541 CLZMALAZJCAQTL-UHFFFAOYSA-N 358.408 2.806 0 50 FFAA CC(C)C[C@@H](NC(=O)CN1CCOC2(CCOCC2)C1)c1ccccc1 135643484 IGJDVTHKSCCZTR-LJQANCHMSA-N 360.498 2.771 0 50 FFAA CCC1(CC)CCC(NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 252478960 AYDAAQDQJAIUAW-UHFFFAOYSA-N 367.515 2.882 0 50 FFAA O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN[C@@H](c2cccc(Cl)c2)C1 366913110 RDWLXLYHYGKPPS-QGZVFWFLSA-N 367.840 2.912 0 50 FFAA COC(=O)NC1(C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)CCCC1 1875299206 CVHORZHOZCWHKY-CYBMUJFWSA-N 364.417 2.906 0 50 FFAA Cc1cnn([C@H]2CCCNC2)c1C(=O)NC1CCC(N2CCCCC2)CC1 876773854 HGIJPBCRBBMUCD-ACBHZAAOSA-N 373.545 2.643 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1 1875373622 IHPMEYDEEAOYHC-AWEZNQCLSA-N 367.453 2.644 0 50 FFAA CC(C)(C)c1cc(CNS(=O)(=O)c2cccc3c2OCCC3)on1 1875317254 SEUHOJRAAQPJPJ-UHFFFAOYSA-N 350.440 2.776 0 50 FFAA O=C(c1cccc2ncsc12)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 2100545267 MAXJFQAGPQUGAV-IRXDYDNUSA-N 354.431 2.871 0 50 FFAA CO[C@@H](C)c1nc(-c2cnc3[nH]cncc2-3)n([C@H](C)C2CCOCC2)n1 2325880094 UUVOECVEWYGJFQ-NEPJUHHUSA-N 356.430 2.863 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C 921336 LMKSDTMZECPPEP-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA Cc1ccc(C(=O)Nc2ccon2)cc1S(=O)(=O)N1CCCCCC1 1058171 URLWCISXVCUWNU-UHFFFAOYSA-N 363.439 2.800 0 50 FFAA COc1cc(CCC(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)cc(OC)c1OC 2356136636 CONCMUKUMNUIDP-ZSHCYNCHSA-N 363.454 2.549 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cccc(F)c3)C1)CC2 2356137937 BBWGPXVXCLAVOL-NRFANRHFSA-N 368.456 2.731 0 50 FFAA CCOC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 2866464 AJNBAOWFYCFTQO-UHFFFAOYSA-N 363.435 2.595 0 50 FFAA O=C(c1cc(=O)c2ccccc2[nH]1)N(Cc1ccccn1)C[C@H]1CCCO1 55413610 JRCLCESOKJQHFE-MRXNPFEDSA-N 363.417 2.745 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)C[C@@H](C)O1 225732479 CYJYTNLULMLTSL-OKILXGFUSA-N 373.478 2.730 0 50 FFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)C3CCCC3)CC2)n1 9620699 ABQINSVBBRPCEN-UHFFFAOYSA-N 357.502 2.614 0 50 FFAA O=C(CSCc1ccccc1Cl)N1CCN(c2cnccn2)CC1 55358360 UKXHDYRNTKPMOV-UHFFFAOYSA-N 362.886 2.712 0 50 FFAA Cc1[nH]c2c(CN3CCc4nc(C)n(C)c(=O)c4CC3)cccc2c1C 67846846 FZEPLIPNNYUFRM-UHFFFAOYSA-N 350.466 2.788 0 50 FFAA CCCN1CCC[C@H]1c1ccc(C(=O)NCCSc2c[nH]nn2)s1 23250456 CQYVESSGWXEZJD-LBPRGKRZSA-N 365.528 2.935 0 50 FFAA O=C1O[C@@H]2CN(C34CC5CC(CC(C5)C3)C4)C[C@@H]2N1CCN1CCCCC1 20118740 VVDUJWOCJMYLFP-GKHXVQBSSA-N 373.541 2.946 0 50 FFAA CN(C)c1nc2ccc(NC(=O)N3CC[C@@H](c4cnn(C)c4)C3)cc2o1 125403539 IPKUMIDEUKDOKJ-GFCCVEGCSA-N 354.414 2.649 0 50 FFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CC1)CN(C)CCN2C 67921630 LIJQRCURKCEQSL-UHFFFAOYSA-N 366.509 2.704 0 50 FFAA C[C@H](O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H]1C 331816932 LJBDLHKDJLRALL-NEPJUHHUSA-N 367.902 2.924 0 50 FFAA COc1cccc(-c2cccc(CN3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)c2)c1 72122343 DDANPINPPUGMDJ-KNGAYFSHSA-N 353.462 2.926 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 328626037 DTANREPZKMLCQS-GJZGRUSLSA-N 360.424 2.739 0 50 FFAA CCCOCCN1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 72148648 FNIFBEIQCPGTEK-IBGZPJMESA-N 361.530 2.708 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCC1)c1ccc([C@@H]2CCCNC2)cc1 215830998 MUAXTNYKWWVSAC-HXUWFJFHSA-N 371.525 2.528 0 50 FFAA CC(C)[C@H](C(=O)N1CCC(N(C)c2cccnn2)CC1)c1ccncc1 329264446 DUUDAPCYFJNXJY-IBGZPJMESA-N 353.470 2.739 0 50 FFAA COc1cc(-c2noc([C@H]3CCN(C(C)=O)C3)n2)cc(Cl)c1OC 331611677 RTONRVYFMJAEKE-JTQLQIEISA-N 351.790 2.743 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCN(Cc2ncccc2C)CC1 72412480 IUQTYHSDRUEICV-UHFFFAOYSA-N 369.513 2.763 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@H](CCc2ccccc2F)C1 71765184 DOEDNGAUXTVLBK-CQSZACIVSA-N 353.401 2.748 0 50 FFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1c(Cl)cccc1Cl 13075368 SUBNXAYUCGQVMG-UHFFFAOYSA-N 366.252 2.544 0 50 FFAA C[C@@H](CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1)n1ccnc1 77452119 UWRBAMNWBCKOPW-KRWDZBQOSA-N 352.482 2.536 0 50 FFAA CN[C@@H](C(=O)N1CCc2cc(-c3ccccc3)oc2C1)c1cnn(C)c1 367647827 CMXDDEPAXXKMRO-LJQANCHMSA-N 350.422 2.526 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 215259639 RLFYXUOVZLIKQZ-KRWDZBQOSA-N 356.447 2.671 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72162491 BFUOUCOGHAZXRY-IBGZPJMESA-N 374.444 2.563 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)c1cnc(Nc2ccccc2)nc1 77539356 QISKILKGDYDEGF-UHFFFAOYSA-N 351.414 2.665 0 50 FFAA CCNC(=O)CN1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 71385634 SXMGAMQFUICJGB-KRWDZBQOSA-N 350.462 2.969 0 50 FFAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1=O 239347202 MJWIJLYYXZZJEI-GYQJYAJYSA-N 371.481 2.785 0 50 FFAA Cc1cc(C(=O)NC[C@@H](O)COc2ccccc2)c2ccc(F)cc2n1 41331078 ORTMQLSGVYMDRD-OAHLLOKOSA-N 354.381 2.852 0 50 FFAA CC(C)Cc1cn(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nn1 48139901 DMZFBDLLWKCXSC-UHFFFAOYSA-N 370.453 2.725 0 50 FFAA Cc1cccnc1N1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 82092981 JNCCKLQWABXUOI-FQEVSTJZSA-N 364.493 2.528 0 50 FFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC(Cc2ccccc2F)CC1 82126547 PDWMOFKDFBLCBC-OAHLLOKOSA-N 351.443 2.555 0 50 FFAA Cc1cc(C)c(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)c(=O)[nH]1 82137535 ABKZGADGRXILJH-CYBMUJFWSA-N 373.840 2.523 0 50 FFAA CC(C)C1CCC(NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 177734755 GWMBCLOMOQQDDV-VQCLRJIVSA-N 367.515 2.909 0 50 FFAA CN(Cc1nc2c(s1)CCCC2)C(=O)NCc1cn2c(n1)SCC2 426566863 IFMDUBUZEJXZEY-UHFFFAOYSA-N 363.512 2.666 0 50 FFAA CN(C1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237125216 OGLIEMGXCPZEKI-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1c(F)cccc1OC)CC2 95530162 GOANQCFLCWGOJK-UHFFFAOYSA-N 372.444 2.567 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3cnc4ccccc4n3)C2)N1Cc1ccccn1 91625108 IBHQLXNGGZRWFM-DOTOQJQBSA-N 359.433 2.652 0 50 FFAA CCC[C@@]1(CO)CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1 91327012 VMPITKZSFWXUAL-LJQANCHMSA-N 360.458 2.608 0 50 FFAA COc1ccc(-n2ncc([C@@H](C)NC(=O)Cc3cc(C)no3)c2C)cc1 91468581 LJZSGCPLZSWYHR-CYBMUJFWSA-N 354.410 2.906 0 50 FFAA O=C(CCC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1)Nc1ccccc1 91781198 NDYKGRGUOMAABH-SFHVURJKSA-N 366.461 2.989 0 50 FFAA Cc1nc[nH]c1CSCCNC(=O)c1cnc(-c2ccccc2)nc1O 91537020 HZWZTYMIBAHVLZ-UHFFFAOYSA-N 369.450 2.544 0 50 FFAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H]42 244882436 XRPYAYHSAWCBAV-IQEVEJCZSA-N 364.239 2.544 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 182172386 DSULTDUZMZYSRE-HNNXBMFYSA-N 354.498 2.953 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)N1CC[C@@H](CN(C)C)C1 534656108 ZNESPLDIONMHGK-INIZCTEOSA-N 355.482 2.984 0 50 FFAA CC1CCN(CCNC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)CC1 534647933 LRGRZSCQFUQZJT-IBGZPJMESA-N 360.502 2.504 0 50 FFAA Cc1cc(NC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c(Cl)cc1F 299787900 TUGOSLOOTAHIKI-HOTGVXAUSA-N 355.841 2.850 0 50 FFAA O=C(O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)C1 299763383 VDFVPQQXTDKEDY-ZDUSSCGKSA-N 368.836 2.880 0 50 FFAA COCCN1CC[C@H](C(=O)Nc2ccc(N3CCCC3)c3ncccc23)C1 824412468 VLZFCCJEPTVCIN-INIZCTEOSA-N 368.481 2.742 0 50 FFAA CCc1ccc(S(=O)(=O)NCc2csc(-c3cnccn3)n2)s1 823528978 BKAAMPBAADGWDF-UHFFFAOYSA-N 366.493 2.703 0 50 FFAA Cc1ccc(-c2noc(CCCC(=O)NCc3noc(C4CC4)n3)n2)cc1 828031981 CIXDGEWIMRNEHW-UHFFFAOYSA-N 367.409 2.945 0 50 FFAA CN(Cc1ccccc1)C1CCN(C(=O)CCCN2CCCCC2=O)CC1 823664810 ZTYONZKNKFJIJA-UHFFFAOYSA-N 371.525 2.902 0 50 FFAA O=C(CCC1=NNC(=O)CC1)NC[C@@H](c1ccccc1)N1CCCCCC1 827816314 ZSYBJIZXESZIOC-IBGZPJMESA-N 370.497 2.766 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)N(C)Cc2nnc(-c3ccccc3)o2)n1 584898938 FOEWKRUQHABYNV-HNNXBMFYSA-N 368.441 2.953 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)N(C)Cc1n[nH]c3c1CCCC3)nn2C 584904154 MKASUSWCYYWDOU-UHFFFAOYSA-N 366.469 2.825 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCc3cc(O)ccc3C2)cc1 1336831127 XUOAOPSRCYPFCN-HXUWFJFHSA-N 364.445 2.777 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2c(C)[nH]c(C(C)=O)c2C)c1C 952873192 IEKRKQFWUFZBDJ-UHFFFAOYSA-N 371.437 2.771 0 50 FFAA Cc1ncc(CO)c(CN2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1O 952872372 MSPSBOALSFKEBJ-CQSZACIVSA-N 360.458 2.549 0 50 FFAA Cc1nccc(N2CCN(C(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)n1 185924941 IURSBHIZUSEBOB-OAHLLOKOSA-N 363.465 2.729 0 50 FFAA CC(C)(C)NC(=O)N1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 170598696 KSUJHDHZDYZGJI-UHFFFAOYSA-N 371.403 2.900 0 50 FFAA CC(=O)c1cc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)ccn1 170603420 PLQXAAADOGFLDN-UHFFFAOYSA-N 362.451 2.593 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c(O)c(C(C)(C)C)c1 170655194 BQHNENHJBQJXBD-AWEZNQCLSA-N 373.497 2.837 0 50 FFAA COc1cncnc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 408516985 HKNMUEVJMCKFSR-ZDUSSCGKSA-N 374.828 2.630 0 50 FFAA O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCO[C@H](C(F)F)C1 194134528 VHCMAWRYWSTTSE-ZDUSSCGKSA-N 356.369 2.984 0 50 FFAA Cc1cccc(OCCN2CC[C@H](O)[C@](CO)(Cc3ccccc3)C2)c1C 1529167929 SWFPUAKQGAFTFG-XZOQPEGZSA-N 369.505 2.970 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCCN(C[C@H]2CCOC2)CC1 1529168277 ZJXUOGWIHPSHRY-CQSZACIVSA-N 352.862 2.533 0 50 FFAA Cc1ccc(NC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1 1704299233 GDZKXPBEFLNJKH-VQIMIIECSA-N 353.466 2.643 0 50 FFAA COCc1cc(CN2CCCN(C(=O)c3ccoc3)CC2)ccc1OC 1775983989 XJYPHPCHPVJPFD-UHFFFAOYSA-N 358.438 2.783 0 50 FFAA O=C(COc1ccccc1Cl)Nc1cccc(C(=O)N2CCOCC2)c1 12138658 RIRZLFIWZYOFFL-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)Nc3ccccc3)CC2)C1 12468669 DISJVSDIMDUZHS-MRXNPFEDSA-N 370.497 2.674 0 50 FFAA Cc1nc(C(=O)N(C)C2CCCCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1857527363 UTLORJHTGDQDHU-QGZVFWFLSA-N 359.518 2.638 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1ccc(OC)c(CN3CCCC3)c1)C2 1857670501 QSYIYUWZFRQQFO-OAQYLSRUSA-N 373.497 2.708 0 50 FFAA Cc1nn(C)c2c1[C@@H](NC(=O)Cn1c(C)cc(=O)c3ccccc31)CCC2 1857675441 YFVKQCMVKIPBBW-INIZCTEOSA-N 364.449 2.546 0 50 FFAA CN1CCn2nc(C(=O)N3CCCC[C@H]3CCc3cccs3)cc2C1=O 1857695457 KLFCMUJOQBFJNZ-AWEZNQCLSA-N 372.494 2.658 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(O)nc4ccccc34)CC2)O1 1857706241 LVCMYAUKJPWLCA-CABCVRRESA-N 370.449 2.865 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cccc(O)c1Cl)C[C@H]2O 1857736101 KONUMLAIZUVYBW-DLVXIWMQSA-N 359.853 2.614 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@@H]1C(=O)O 219709129 JHSADXUOXFGRJZ-SJORKVTESA-N 369.417 2.767 0 50 FFAA COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc(O)c1OC 3589847 PMBOOVZSTMWOFS-UHFFFAOYSA-N 360.318 2.603 0 50 FFAA biogenic,in-vitro O=C(C[S@](=O)Cc1nnc(-c2ccccc2)s1)NC1CCCCC1 121676647 SPHBLGCCDQLIEX-XMMPIXPASA-N 363.508 2.903 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C(=O)O 236990719 LYYQMWIQKAKXBA-AFIMGQEJSA-N 362.470 2.525 0 50 FFAA O=C(O)c1ccc(CCNC(=O)c2cc(N3CCCC3=O)ccc2F)cc1 238095592 QNYKCXKGICKUMV-UHFFFAOYSA-N 370.380 2.623 0 50 FFAA COc1ccnc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1 12207761 IQMQUUDFFDOSDV-GOSISDBHSA-N 353.470 2.619 0 50 FFAA CC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253589914 AKYKYHKJUHUACD-SFXQLGODSA-N 350.499 2.681 0 50 FFAA C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@@H]2[C@H]2C=C[C@@]1(O)C(=O)O2 256402996 AALLCALQGXXWNA-NACYMBDTSA-N 358.390 2.533 0 50 FFAA endogenous,in-man CCC(=O)N1CC[C@@H](c2nc(-c3ccc(N4CCCCC4)nc3)no2)C1 158913885 GIAGHPQCHZENTD-OAHLLOKOSA-N 355.442 2.848 0 50 FFAA O=C1COC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CN1 1203814782 FHJIGWDDFDGLFR-UHFFFAOYSA-N 352.434 2.960 0 50 FFAA CC1=C(c2ccco2)CN(C(=O)NCc2ccnc(-n3cncn3)c2)CC1 868879772 HXFTXTDBYSPFJG-UHFFFAOYSA-N 364.409 2.644 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc4nc[nH]c4cc2F)C3)o1 952851326 IMHUDERSFYPFGW-VOJFVSQTSA-N 355.373 2.587 0 50 FFAA CC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)C2C3(CC3)C23CC3)c1 1875269720 OJNBCNXNMKMYGN-UHFFFAOYSA-N 353.827 2.538 0 50 FFAA C[C@H](O)CN(C)S(=O)(=O)c1sc2ccccc2c1Br 1875289820 RHVCFRCNCUIXQZ-QMMMGPOBSA-N 364.286 2.665 0 50 FFAA C=CC(=O)N1CC(F)(F)C[C@H]1CNC(=O)C1(c2ccc(C)cc2F)CC1 1875389583 UEOJLUVHIIZYRP-ZDUSSCGKSA-N 366.383 2.704 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2ccnc(-c3ccccc3)n2)cc1 1875328528 WZLDTAHVQWYUMK-UHFFFAOYSA-N 353.403 2.571 0 50 FFAA CCn1cccc1C(=O)N[C@@H]1CCC[C@@H]2CN(c3nc(C)ns3)C[C@H]21 1875405659 LJFYZFKADUGIPD-RBSFLKMASA-N 359.499 2.703 0 50 FFAA C[C@H](NC(=O)[C@@H](N)Cc1cc2ccccc2o1)c1ccc2c(c1)OCO2 884064296 CEIUSJWKUGBTBD-LRDDRELGSA-N 352.390 2.909 0 50 FFAA CSc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1 1144095 MTHKOMPBGPEJNC-UHFFFAOYSA-N 350.465 2.634 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccc2)c1 1150926 IVULJQRWTWNUQR-UHFFFAOYSA-N 359.403 2.991 0 50 FFAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1393188 WAAHPRDFNUTCLD-SECBINFHSA-N 358.630 2.885 0 50 FFAA CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1770713 LKRPDYLXZDXORB-UHFFFAOYSA-N 350.400 2.626 0 50 FFAA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC 2357346 UFULELRRCLMTAE-TVQRCGJNSA-N 370.331 2.660 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H]3CNC(=O)[C@@H]3C2)o1 2356143484 JNMOQIOMHFYAMD-MAUKXSAKSA-N 362.433 2.619 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(F)c2)cc1 4868169 HHQUGWMZHOYYJY-UHFFFAOYSA-N 350.415 2.695 0 50 FFAA Cc1nc2cc(F)c(F)cc2n1CC(=O)NCCN(C)Cc1ccccc1 225417389 SCLNLIJLZSUFDO-UHFFFAOYSA-N 372.419 2.871 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)Cc1nc(-c2ccncc2)no1 55392998 PAAALHCQSZDWQA-QGZVFWFLSA-N 368.393 2.706 0 50 FFAA CCc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 67601747 XOAPYVPYFYUSDJ-UHFFFAOYSA-N 353.470 2.790 0 50 FFAA COc1ccccc1N1CCN(CCC(=O)NCc2cccs2)CC1 65454502 LQQCKUNFGZUACO-UHFFFAOYSA-N 359.495 2.585 0 50 FFAA CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccccc2N)cc1 119157345 MEPPRVIEFYQACC-UHFFFAOYSA-N 362.451 2.860 0 50 FFAA Cc1cc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)ncn1 119510722 VPRZKJJVCJKZPO-UHFFFAOYSA-N 373.844 2.818 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCN(C/C=C/c2ccccc2)CC1 20653815 DMRPIVZVHGFKQT-JLXBBBJOSA-N 364.445 2.684 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4ccccc4OC)ccc3n2n1 38783717 MDDLIZXQPKYUAP-UHFFFAOYSA-N 353.407 2.549 0 50 FFAA Cc1ccc(C)c(CCNS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)c1 216507738 RLVSKCXZTHPHFC-UHFFFAOYSA-N 372.490 2.670 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC(=O)O)cc1 2137347 WFOSLZPLFCAXQZ-UHFFFAOYSA-N 356.378 2.542 0 50 FFAA biogenic COc1cc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)c2c(c1)C[C@H](C)O2 328657054 ZYJJSXIMYVFKEE-YHJVDBJQSA-N 357.454 2.762 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nn2cc(C(C)(C)C)nc2s1 328643893 ZBPVYZAOZJLUDD-AAEUAGOBSA-N 360.487 3.247 0 50 FFAA CCCN(C(=O)[C@H]1CO[C@@H](C)C1)C1CCN(c2cc(C)nc(C)n2)CC1 332134974 LUEFOBCWYMOHHT-DOTOQJQBSA-N 360.502 2.726 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)CCn3cc(C)cn3)C2)CCC1=O 77421053 UGOTZECOLVSYKR-HXUWFJFHSA-N 360.502 2.613 0 50 FFAA O=C(c1cc(O)nc(C2CC2)c1)N1CCC[C@H](Oc2ncccc2F)C1 330232503 RPHWLOBSXWDCBN-AWEZNQCLSA-N 357.385 2.882 0 50 FFAA COc1ccc(CCNC[C@H](O)CO[C@H]2CCC[C@@H](C)C2)cc1OC 216005512 XHPABNBFRSDROL-NJAFHUGGSA-N 351.487 2.792 0 50 FFAA CCOc1ccccc1C(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F 330582377 SEZYVYQELMFDAF-IUODEOHRSA-N 358.360 2.757 0 50 FFAA COCCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CCC1=O 216269055 BHEAQCKHCPRNKZ-HXUWFJFHSA-N 366.461 2.855 0 50 FFAA CC(C)c1ccc(-n2cc(CN3CCC[C@](O)(CN(C)C)C3)cn2)cc1 72454605 SJVWGKGBWKPPKG-NRFANRHFSA-N 356.514 2.884 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCN(Cc2cccnc2)CC1 72428906 UCUPWSCKBPDQEE-UHFFFAOYSA-N 361.449 2.820 0 50 FFAA Cn1cnnc1C1CCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 155789500 OUPVDMDFDASXLJ-INIZCTEOSA-N 355.442 2.618 0 50 FFAA c1csc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 72410527 CYZSOFOFICIRHV-CWFSZBLJSA-N 369.490 2.934 0 50 FFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2OC)on1 33270446 FFCTWNNDYSXFDY-CQSZACIVSA-N 366.439 2.780 0 50 FFAA CN(C)C1(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CCCCCC1 72171146 SGTKJYGCWZOIRI-RTWAWAEBSA-N 371.569 2.968 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCCN(CCCc2ccccc2)CC1 77437746 VSABZFWJQQTNEQ-UHFFFAOYSA-N 354.498 2.992 0 50 FFAA CCCc1ccc(C(=O)N2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 71762889 NBDKWJWZNOSPJH-UHFFFAOYSA-N 374.444 2.983 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1cnc2ccccn12 426627856 VNLNUXNKOWASKX-UHFFFAOYSA-N 352.442 2.668 0 50 FFAA CCc1cc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)n(C)n1 82096345 BBDABZKDFUCGHU-UHFFFAOYSA-N 356.470 2.732 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 426632949 WFKFPHBXIFNMLX-HXUWFJFHSA-N 367.497 2.951 0 50 FFAA CC1(C)C[C@@](CCNC(=O)Cn2ccccc2=O)(c2ccccc2)CCO1 426716113 PGCRVUBXANYVSH-QFIPXVFZSA-N 368.477 2.882 0 50 FFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C1 20602003 WERZSMPIYXBGNG-SFHVURJKSA-N 353.378 2.785 0 50 FFAA CCc1ocnc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82146336 HJXYUXXXICJIMY-UHFFFAOYSA-N 371.485 2.902 0 50 FFAA O=C(COc1cccc(F)c1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 92099294 FHDJUAPHIYQPGQ-OAQYLSRUSA-N 374.456 2.846 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1ccc(Cl)s1)C2 91460592 YAUZVYQJBXLYRF-UHFFFAOYSA-N 353.831 2.661 0 50 FFAA Cc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)cc1F 91492880 PAAATJODFRRQJD-OAQYLSRUSA-N 374.456 2.768 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCCc3cccc(O)n3)c12 426372151 BZEJTFLBWFMWLU-UHFFFAOYSA-N 365.433 2.866 0 50 FFAA Fc1cccc(C2(CNC3CCN(c4ncccn4)CC3)CCOCC2)c1 95507450 ABGVFFUXMLQDPA-UHFFFAOYSA-N 370.472 2.923 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCc2ccc3c(c2)OCO3)cn1 91595486 UKSLNXRKXDQPLH-UHFFFAOYSA-N 365.389 2.582 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)NCc2cccc(F)c2)C1 91468487 XTZVASPSBSKRQK-SFHVURJKSA-N 352.406 2.629 0 50 FFAA CSc1ccc(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 95508241 LUKBYYUIPZWYOT-WIYYLYMNSA-N 369.486 2.948 0 50 FFAA COCCn1cnnc1[C@H](C)Nc1cc(C)nc(Nc2cccc(O)c2)n1 91433784 WGFMVCRUDLJSMU-ZDUSSCGKSA-N 369.429 2.645 0 50 FFAA C[C@@H]1CN(CC(=O)NCCc2nc3ccccc3[nH]2)Cc2ccccc2O1 23191441 NNSGFEJSNBHXLF-OAHLLOKOSA-N 364.449 2.505 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95508814 LQPRPPRYDJWRSR-HNNXBMFYSA-N 365.437 2.897 0 50 FFAA COc1ccc2[nH]nc(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4=O)c2c1 91620513 UTBYMQSQWFREJU-JKSUJKDBSA-N 368.481 2.794 0 50 FFAA COc1ccc(C(=O)Cn2cc(-c3ccc(OC)cc3)n(C)c2=N)cc1 334157619 UERZNSTXZTYJRW-UHFFFAOYSA-N 351.406 2.873 0 50 FFAA Cc1cccn2c(CC(=O)N[C@@H](C)c3cnn(-c4ccccn4)c3C)cnc12 92002956 CLCJKLIMBNLSEH-HNNXBMFYSA-N 374.448 2.952 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc(C)o2)CC1 91320893 ZLAOCNODIDLENI-UHFFFAOYSA-N 354.458 2.824 0 50 FFAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@@H](O)C1)c1ccccc1C(F)(F)F 244778639 PUBZDLGBOZOTQL-ZENOOKHLSA-N 356.388 2.574 0 50 FFAA CC(C)c1nc(C(=O)NCC2(N3CCN(C)CC3)CCCC2)cs1 244811596 SHNWGTDRWPUIDH-UHFFFAOYSA-N 350.532 2.557 0 50 FFAA COc1ccccc1-n1cc([C@@H](C)NC(=O)NCC2(O)CCCCC2)cn1 534660570 UYKMXLYBEQVBGD-OAHLLOKOSA-N 372.469 2.936 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CCCN(C3CCCCC3)CC2)cc1 299782395 UXMNIYLTYCLQPP-UHFFFAOYSA-N 371.525 2.982 0 50 FFAA COc1ccc(CC[C@@H](C)N2CCOC3(CCN(C(C)=O)CC3)C2)cc1 824662318 FYTLAOKFXPDWNQ-QGZVFWFLSA-N 360.498 2.730 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccccc1N1CCOCC1 828182367 RDXYKNWGIMDFQN-QGZVFWFLSA-N 352.434 2.599 0 50 FFAA Cc1c(C(=O)Nc2ccccc2C[S@](C)=O)cnn1-c1ccccn1 185930654 QJZJKJUCWXPUGO-VWLOTQADSA-N 354.435 2.707 0 50 FFAA CC(C)c1noc([C@H](NC(=O)CCc2ccncc2)C2CCOCC2)n1 275600403 KDSPGKWAJQAIME-QGZVFWFLSA-N 358.442 2.805 0 50 FFAA CC(C)CC(=O)N1CCC(NC(=O)N(Cc2cccnc2)C2CC2)CC1 171363945 HKESRSUXMRXLNM-UHFFFAOYSA-N 358.486 2.793 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)N[C@H]2CCCc3c(O)cccc32)c1 190293316 DTEHIQUPAVVGNU-SFHVURJKSA-N 352.434 2.933 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1F)N1CCN(c2ccncc2)CC1 1191864126 ORZVMIBYMAVEHR-UHFFFAOYSA-N 369.849 2.526 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)c1nc(N)c2cnn(C)c2n1 1506406983 HXCUHLAFLSXDRU-UHFFFAOYSA-N 357.506 2.571 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506424240 IBRLVMGXARGIMU-UHFFFAOYSA-N 364.348 2.555 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@H]2O)n[nH]1 1529189574 SBNCCFXUJZUVBV-DNVCBOLYSA-N 371.872 2.593 0 50 FFAA CCC[C@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@@H]1NS(C)(=O)=O 220033447 SSHGHHWSAAXXJD-YJBOKZPZSA-N 369.531 2.872 0 50 FFAA Cc1cc(C(=O)N2CCCN([C@H](C)CCn3cccn3)CC2)cc(C)n1 1775982867 ZGPHJLMNTXIPQL-GOSISDBHSA-N 355.486 2.522 0 50 FFAA COCCNC(=O)CCC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 12372803 RJXHTNFGRIAFLY-UHFFFAOYSA-N 370.497 2.627 0 50 FFAA CCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(=O)c2ccc(C)nc21 12407557 PUFATRKBHWFZSB-UHFFFAOYSA-N 364.405 2.936 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCn3cncn3)C2)cc1 12713645 YEOLDMHNPZZQLM-FQEVSTJZSA-N 369.513 2.648 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCN(c2ccccc2)C1=O 14960830 IXIVRWDWLKURNU-HXUWFJFHSA-N 374.444 2.601 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 14963258 SJPCGAVHBOXYEW-MRXNPFEDSA-N 372.465 2.993 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 1857666311 KKJNIMUZIMMNQS-UHFFFAOYSA-N 365.477 2.714 0 50 FFAA O=C1CC2(CCN(c3ncccn3)CC2)OCCN1CC1CCCCC1 1857683359 VZZFQIHWEREEDU-UHFFFAOYSA-N 358.486 2.645 0 50 FFAA COc1cnc(N2CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)nc1 1857696261 UEUFLEBAZORCPY-FQEVSTJZSA-N 369.469 2.763 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)NCc2cc(-c3ccccc3Cl)on2)C[C@H]1N 1857719713 SCWRFNFZYFSIJX-IUIKQTSFSA-N 363.845 2.754 0 50 FFAA COc1ccc2ccccc2c1CN1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857728691 MMURJNAXWRVJIB-CTNGQTDRSA-N 352.434 2.772 0 50 FFAA CN(C)c1noc(COC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 225607558 QIZUICBWYSDILJ-NEPJUHHUSA-N 366.215 2.745 0 50 FFAA CC(C)Cn1c(NC(=O)c2ccc(S(N)(=O)=O)cc2)nc2ccccc21 1875244107 MNQVXCIFASKAFJ-UHFFFAOYSA-N 372.450 2.592 0 50 FFAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc3c(c2)CN(C)C3=O)c1 1875250848 LZBAKAOYYXRXLX-UHFFFAOYSA-N 350.418 2.978 0 50 FFAA Cn1[nH]c(CN2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)nc1=O 329632287 WUIMBKVNXLNUNU-UHFFFAOYSA-N 371.268 2.596 0 50 FFAA Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 252492177 MFFAPOZFWBMMET-UHFFFAOYSA-N 368.872 2.853 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(CN2CCCC2=O)cc1 265534065 BREKUPJPNOEFLC-KSZLIROESA-N 370.449 2.667 0 50 FFAA C[C@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(O)c1 935116929 FNISWVIFJDDCNL-DOTOQJQBSA-N 352.434 2.661 0 50 FFAA CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)S(=O)(=O)CC)c1C 1071913 DUHULUZGSVTPAG-UHFFFAOYSA-N 368.455 2.753 0 50 FFAA Cc1cc(C)cc([C@@H](CO)NC(=O)c2cc(-c3ccncc3)nn2C)c1 2325781742 FIVLEKUXUPGEET-GOSISDBHSA-N 350.422 2.562 0 50 FFAA Cc1cnc2n1CCC[C@@H]2C(=O)NC[C@H](C)Cn1ccc(C(F)(F)F)n1 2325796286 GMUVUDCDKSZTHK-AAEUAGOBSA-N 369.391 2.737 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)no1 814943 PFLFEOGTUVXNCI-LBPRGKRZSA-N 350.172 2.877 0 50 FFAA COc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 841214 QBKWSDDPQPWLIX-UHFFFAOYSA-N 362.432 2.961 0 50 FFAA O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccc1F 1109160 ZWWJRJVLLQIYPC-UHFFFAOYSA-N 352.321 2.663 0 50 FFAA Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1C 1112570 XZQWYMWHQJOXLM-UHFFFAOYSA-N 368.405 2.986 0 50 FFAA CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1178314 KFTBGFRTMOVLMA-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA CC(C)C(=O)Nc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1 2869439 NIHJTGYRAAHLPX-UHFFFAOYSA-N 353.378 2.828 0 50 FFAA COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 4701753 WMIJWCHNBWOKFM-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680449 RWDWNUSNTVUYHK-UHFFFAOYSA-N 357.482 2.632 0 50 FFAA CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCCNc1cccnc1 55167318 XFPOZADPJBYKLH-DLBZAZTESA-N 360.502 2.721 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H]2CCO[C@H]2C(C)C)cc1 225453431 COZNGQSOBKJVOR-RDJZCZTQSA-N 374.510 2.720 0 50 FFAA O=S(=O)(c1ccccc1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 349761255 SBPVJMLIQVSKPI-HNNXBMFYSA-N 356.407 2.657 0 50 FFAA COC(=O)c1cc([C@@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)ccc1O 65488495 CWFZXDHEKXQYRI-NSHDSACASA-N 357.410 2.684 0 50 FFAA O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOCC1 20911792 DGQMIEWHIVZFNC-UHFFFAOYSA-N 364.489 2.756 0 50 FFAA CCOC(=O)N1CCN(c2nncc(-c3ccc4ccccc4c3)n2)CC1 12022657 SLEHLFXYVKLDDR-UHFFFAOYSA-N 363.421 2.970 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccccc1C 62908022 XEXUWKJOKWEVSV-UHFFFAOYSA-N 354.406 2.728 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(c2nc(C(C)C)ns2)CC1 328646970 SYZXLNIGYRGRIS-MRXNPFEDSA-N 374.514 2.859 0 50 FFAA CN(Cc1ccncc1Cl)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328631747 KVOKLGAYEULBJL-HOCLYGCPSA-N 351.857 2.513 0 50 FFAA CCCn1cc(C(=O)N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)cn1 328630456 PWOAVTINLLOUEL-QFBILLFUSA-N 372.517 2.572 0 50 FFAA C[C@H](CN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnn[nH]1 124336144 NFKPJDOEZIWQLT-CYBMUJFWSA-N 361.409 2.691 0 50 FFAA CCc1cnc(NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)nc1 71388812 LBAQUGMJBBWQIW-UHFFFAOYSA-N 367.453 2.953 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(c4nc[nH]n4)CC3)cc2)n1 72477331 IUNLBPANWUXRER-UHFFFAOYSA-N 364.453 2.686 0 50 FFAA COc1ccccc1-c1nnc(COc2cccc3c2NC(=O)CO3)o1 367662584 XMURHZAQHHYKMV-UHFFFAOYSA-N 353.334 2.655 0 50 FFAA C[C@H](OCC(=O)N1CCC2(CC1)OCc1ccccc12)c1nccn1C 367803685 IHTKOUHQTOGWSX-HNNXBMFYSA-N 355.438 2.546 0 50 FFAA O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1S(=O)(=O)C1CCC(C(F)(F)F)CC1 333812469 IHWDJOFAKVHJGM-MGBPRESASA-N 367.433 2.970 0 50 FFAA COCCn1cncc1CN1CCC[C@H](C(=O)c2ccc(OC)cc2C)C1 71759171 ICXVZHKMRROFQT-KRWDZBQOSA-N 371.481 2.941 0 50 FFAA O[C@H]1[C@H](n2cc(-c3ccc(F)cc3)nn2)c2ccccc2C12CCNCC2 72144555 VDNHORZREDCCPG-UXHICEINSA-N 364.424 2.669 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)CC(=O)N(C)C3)c(-c2ccccc2)n1 72423200 NLCHYKWILHZOQZ-UHFFFAOYSA-N 364.449 2.537 0 50 FFAA COc1ccc(CCNC(=O)CN2CCC[C@H]2c2nc(C(C)C)no2)cc1 77436947 RQLHGEWOHPHBCH-KRWDZBQOSA-N 372.469 2.697 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2=O)c1 15072419 WFNMIOQRTZSXAI-NRFANRHFSA-N 358.482 2.689 0 50 FFAA Cn1ccc(N2CCC[C@@H](NC3CC(c4cc(F)cc(F)c4)C3)C2=O)n1 377644209 GYZIYBWVVSARBE-QWFMPGPPSA-N 360.408 2.730 0 50 FFAA Cc1ccccc1C(=O)N1CCCC[C@H]1C(=O)Nc1nncn1C1CC1 375903884 SVTJVFILGBJKFQ-INIZCTEOSA-N 353.426 2.555 0 50 FFAA CCOc1cc(Cl)c(CN2CCN(c3cnccn3)CC2)cc1OC 215608879 CCAQRQKRCLRVCW-UHFFFAOYSA-N 362.861 2.860 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(c3nccc(-c4cc(C(=O)O)ccn4)n3)C2)n1 72448110 WXJASMSBKACWRF-OAHLLOKOSA-N 364.409 2.502 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCN([C@H]2CCc3ccccc3C2)CC1 72133099 XFYHNEVUBYUUQI-IBGZPJMESA-N 364.493 2.535 0 50 FFAA COCc1ccc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 241124245 JGQVIUKUOJSVEY-UHFFFAOYSA-N 371.817 2.885 0 50 FFAA COC(C)(C)C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72158110 PMLNDEWBOYIIEL-RCCFBDPRSA-N 364.436 2.778 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N3CCN(CC4CCOCC4)CC3)c2c1 175027909 BIXAECRZICZBEM-UHFFFAOYSA-N 369.509 2.980 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)c3sc(N)nc3C)n2)cc1 223895838 MVUDSHFCXNXYNC-VIFPVBQESA-N 359.411 2.583 0 50 FFAA CCOc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 82120116 DFCGSXOWYVDHCB-NRFANRHFSA-N 360.498 2.672 0 50 FFAA CCc1nc2cc(NC(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)ccc2n1CC 426478831 CDLGFIGQNFZQGB-LJQANCHMSA-N 371.441 2.677 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccncc3)cn2)o1 48501633 VESJZYHWFXKMTR-UHFFFAOYSA-N 362.393 2.730 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-c3ncc(F)c(NC)n3)c2)C1 426381417 IANHIDFDJAWRAK-MRXNPFEDSA-N 372.444 3.356 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C2(N3CCCC3)CCCC2)n1 222741769 JCAXTUFHKUKRHI-UHFFFAOYSA-N 370.419 2.871 0 50 FFAA CN(C)C[C@]1(CO)CCCN(C(=O)CSc2ccc(Cl)cc2)C1 221235316 PJZTXCNSCKCZNN-QGZVFWFLSA-N 356.919 2.595 0 50 FFAA Cc1nnc(N(C)C(=O)[C@H]2COc3ccc(Br)cc32)s1 291793783 AFYGLAUKYFGLHW-JTQLQIEISA-N 354.229 2.748 0 50 FFAA CCCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 239164866 NBEGDXYKLUBHOD-WKRCXCSHSA-N 371.433 2.715 0 50 FFAA c1ccc(-c2nc(CN3CCN(c4ccc5nccn5n4)CC3)co2)cc1 97347174 YAYJEVORVWYUSN-UHFFFAOYSA-N 360.421 2.707 0 50 FFAA CC(=O)N1CCC[C@@H](c2nc(-c3ccc(-n4nc(C)cc4N)cc3)no2)C1 96132844 VOKOQJIKDLHAJY-OAHLLOKOSA-N 366.425 2.539 0 50 FFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCO2)c1ccc(Cl)s1 180881348 OQSNARFPDGJQKL-UHFFFAOYSA-N 357.840 2.845 0 50 FFAA CCc1nn(C)c(NC(=O)NCCc2nc(C)c3c(n2)CCCC3)c1C 95508014 FGNABWRMVDKLCK-UHFFFAOYSA-N 356.474 2.632 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@H]3CC(C)=NO3)CC2)cc1 95498265 NCHBRZUGJVJXHK-HXUWFJFHSA-N 373.497 2.573 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccccc1OC)CC2 91604872 QCZOLTKBMDWEDJ-UHFFFAOYSA-N 368.481 2.704 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@@H]2COc3ccc(OC)cc3C2)c1C 91644145 SYXFPZZYQUBPCK-INIZCTEOSA-N 357.454 2.786 0 50 FFAA O=C(c1ccc(Cl)cc1O)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 92080444 VDPBKVMADYEHJX-HUUCEWRRSA-N 366.889 2.602 0 50 FFAA COc1nc2c(cc1C(=O)N(C)[C@H](CC(=O)O)c1ccccc1)CCC2 95522793 YVVCPYIEXWOFQV-QGZVFWFLSA-N 354.406 2.867 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(CCc1ccccc1)CC2 91779684 HPPBRKZFVWRZKR-UHFFFAOYSA-N 364.493 2.738 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)cn1 95384313 TYTXSVSKHAYWEE-SFHVURJKSA-N 369.513 2.866 0 50 FFAA Cc1nc(CCCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)sc1C 91486603 VFZKACHUZNPCAG-OAHLLOKOSA-N 363.527 2.990 0 50 FFAA CCOc1ccc(CC(=O)N[C@@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)cc1 244659599 HFMDUSCKXFQDNM-QRFRQXIXSA-N 354.450 2.521 0 50 FFAA CCOC(=O)C(=Cc1cccn1CC(=O)c1ccccc1)C(=O)OCC 257355026 JMNYUFCXEYSRIE-UHFFFAOYSA-N 355.390 2.881 0 50 FFAA O=C(c1ccsc1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 263619534 ZCSJPVJOUFVZOF-UHFFFAOYSA-N 354.435 2.642 0 50 FFAA Cn1c(=O)c(CNCc2cnn(-c3ccccc3)n2)cc2ccc(F)cc21 299766838 GDXMKMLJDTVRPS-UHFFFAOYSA-N 363.396 2.548 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2ccc(N(C)C)cc2)CCC1=O 299788356 RYBSQRCNCLMDMN-UHFFFAOYSA-N 365.477 2.936 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)CC1=CSC3=NCCCN13)C2 299757519 IQJXGQVNTBAEHJ-UHFFFAOYSA-N 357.483 2.557 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)Nc1cccc2[nH]nnc12 299777587 LAEFSBYNYUCPPR-MRXNPFEDSA-N 364.453 2.992 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@H]1COc3c(cccc3OC)C1)n2C 824758495 IJBNQQYKGBUUJH-OAHLLOKOSA-N 366.417 2.929 0 50 FFAA CCc1nc(C)sc1CNC(=O)N(C)Cc1nc(-c2ccccn2)no1 584893457 QCZYICGWCNMKPX-UHFFFAOYSA-N 372.454 2.801 0 50 FFAA O=C(NCCSc1ccccn1)N(Cc1ccccn1)C[C@H]1CCCO1 584899213 NRRNEAPOFFQOOY-QGZVFWFLSA-N 372.494 2.960 0 50 FFAA COc1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)cc2c1O[C@H](C)C2 1447529563 ZGXCGAXQBSRSFP-CXAGYDPISA-N 356.422 2.571 0 50 FFAA O=C(/C=C/c1nc2ccccc2s1)NC[C@H](O)CN1CCCCCC1 952970703 LPBFYRHZXFBTSW-FEAKQIBJSA-N 359.495 2.663 0 50 FFAA Nc1nc(NC[C@@H](c2cccs2)N2CCOCC2)nc2ccccc12 301830550 RWQNQJCSNOYAIZ-HNNXBMFYSA-N 355.467 2.759 0 50 FFAA Cc1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 193841165 YENIPYRHDQRYCQ-QGZVFWFLSA-N 363.465 2.529 0 50 FFAA C[C@H](OC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)N1CCSc2ccccc21 758134818 GLUYZVHRLFEBRX-STQMWFEESA-N 371.462 2.900 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(Oc2ccncc2)CC1 1506421474 JYLBBQLXRMFTFD-MRXNPFEDSA-N 351.450 2.903 0 50 FFAA Cc1cccc([C@H](C(=O)O)N2CCN(CCc3ccccc3)C(=O)C2)c1 1506422622 ACXQNMKRXBKLBP-HXUWFJFHSA-N 352.434 2.508 0 50 FFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)s1 1506414141 MEYKQEOHQCZXDE-ITGUQSILSA-N 368.480 2.696 0 50 FFAA O=C(NC[C@H]1CCCN(c2ncccc2F)C1)c1cnc(C2CC2)nc1 1506410293 KAYLYWYLMLHFLV-CYBMUJFWSA-N 355.417 2.535 0 50 FFAA O[C@@H]1CN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1Cc1cnccn1 1529168440 DJUSOCOHSROEMF-YLJYHZDGSA-N 372.538 2.559 0 50 FFAA Cc1cc(-c2nnc(CCC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)o2)no1 211081171 AMFKANIWEOLUNG-IHRRRGAJSA-N 354.410 2.684 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cccc4nonc34)C1)CC2 1704307504 ICTBSHNANXBYOC-HXUWFJFHSA-N 364.453 2.559 0 50 FFAA CCc1cc(CNC(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)on1 11664616 ONQRPUUNJYRBRX-UHFFFAOYSA-N 364.409 2.597 0 50 FFAA O=C(CN1CCCCC1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 11816513 HSCAPUYLASODAS-KRWDZBQOSA-N 351.454 2.518 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1cnccn1 11976297 UKZMMDHGDYTQRC-OAQYLSRUSA-N 374.444 2.842 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N[C@H]2CCOC(C)(C)C2)no1 12076072 FELDFLMGNUOQHC-INIZCTEOSA-N 357.454 2.994 0 50 FFAA COc1cccc(NC(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 12711497 VPMYBTSZVLXHGV-KRWDZBQOSA-N 353.422 2.660 0 50 FFAA CC[C@@H](C)c1nn2c(=O)c(NC(=O)c3ccccc3OC)cnc2s1 13999784 ZSAMWDRQQLFEFA-SNVBAGLBSA-N 358.423 2.925 0 50 FFAA Cc1nonc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1 15077272 BZBKSDVHWNASST-OAHLLOKOSA-N 360.433 2.544 0 50 FFAA Fc1ccc(Cc2noc(-c3ccc(NC[C@H]4COCCO4)nc3)n2)cc1 19792626 KCUFABSYHKEGDN-INIZCTEOSA-N 370.384 2.689 0 50 FFAA CCn1ncc(C(=O)N2C[C@@H]3CCC[C@@]3(c3nnc(C4CC4)o3)C2)c1C 1857529457 VILJAESKUXCNFY-IFXJQAMLSA-N 355.442 2.666 0 50 FFAA N[C@H]1C[C@H](c2nc(-c3ccccc3)nn2-c2ccc(F)cc2F)C[C@@H]1O 1857712855 JDFMQAFFOBSFBW-NUTKFTJISA-N 356.376 2.778 0 50 FFAA O=C(NCCc1ncc[nH]1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857715669 CHKHNHVXDBTINH-UHFFFAOYSA-N 373.844 2.780 0 50 FFAA CC[C@H](NC(=O)c1nc2ccccn2c1C)c1ccc(S(C)(=O)=O)cc1 1857728060 LJADECHQVJIEJK-INIZCTEOSA-N 371.462 2.927 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@H]1CCn2nccc2C1 1857730633 XWDOZPKQVQVJFB-AWEZNQCLSA-N 353.401 2.633 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1420802 CJVIYWXADATNKP-SFHVURJKSA-N 353.374 2.721 0 50 FFAA in-vitro Cc1nn(C)c(C)c1[C@H]1[C@H](CN[C@H](C)CCc2ccco2)CC(=O)N1C 328627757 NBCIKMWIKARHHQ-JOTOCRJQSA-N 358.486 2.760 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc(C(F)(F)F)cc3)n2)CCN1 1875312526 NNTLERDVPQQZKM-YPMHNXCESA-N 352.360 2.761 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1snnc1C)c1ccc2ccccc2c1 1875386105 JCLDCRIFMWSJPH-MRXNPFEDSA-N 366.446 2.773 0 50 FFAA Cn1ccnc1[C@H]1[C@H](NC/C=C/c2ccccc2)CCC(=O)N1C1CC1 886085524 SYHLFOPAXFFBDY-QEMYPZFLSA-N 350.466 2.918 0 50 FFAA O=S1(=O)[C@@H](c2ccccc2)CCN1Cc1cnc(C(F)(F)F)nc1 888092804 SBLXFWDJOFXFKA-CYBMUJFWSA-N 357.357 2.772 0 50 FFAA COc1ccc2c(c1)[C@@H](NC(=O)c1cncc(OCC(F)F)c1)CCO2 1320290313 WPVDDBIMKAMUOP-HNNXBMFYSA-N 364.348 2.988 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1 4569027 MPWGNOAIRSEYDJ-UHFFFAOYSA-N 355.799 2.777 0 50 FFAA Cc1cccnc1C(=O)N1CC[C@@H](CN=c2ccc(C(F)(F)F)c[nH]2)C1 2325786951 KFXHMCRTHVTHMP-ZDUSSCGKSA-N 364.371 2.800 0 50 FFAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)Cc2cnn(Cc3ccccc3)c2)C1 2325859815 LMLAGRNJCYMHPH-OAQYLSRUSA-N 374.488 2.993 0 50 FFAA Cc1ccc2ncc(C(=O)N(C)C[C@H]3CCN(C(=O)C4CC4)C3)cc2c1 2325865055 LDISBGNVEXDEMT-OAHLLOKOSA-N 351.450 2.874 0 50 FFAA COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 780176 JZUHYMKEFWBJDQ-UHFFFAOYSA-N 374.422 2.823 0 50 FFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 913290 FLNIRCHGBZBYER-QGZVFWFLSA-N 362.426 2.921 0 50 FFAA COc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)cc(OC)c1OC 952478 PTSUGEPKXWXXAG-UHFFFAOYSA-N 359.378 2.816 0 50 FFAA COC(=O)c1sccc1NC(=O)c1cc2cccc(OC)c2oc1=O 1056053 NZQHSTMXJGSAPQ-UHFFFAOYSA-N 359.359 2.902 0 50 FFAA COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 1158154 PECLAASYEAWUDK-UHFFFAOYSA-N 366.417 2.964 0 50 FFAA CCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 2827414 FBOZQKNFJJKIQL-UHFFFAOYSA-N 360.479 2.630 0 50 FFAA CCOC(=O)[C@H](c1ccccc1)[C@@H](C(=O)OCC)C(=O)c1ccncc1 3130213 MGKGXPHYXFHGHM-IAGOWNOFSA-N 355.390 2.791 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 4158610 JLGQDXYHAHQIKS-HZPDHXFCSA-N 362.838 2.952 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356163698 NXGVBTNAGHNBPQ-OAQYLSRUSA-N 356.466 2.774 0 50 FFAA Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2)N(CCO)C3=O)cc1C 4809575 SWYSMNYRFZEXGC-FQEVSTJZSA-N 363.417 2.937 0 50 FFAA O=C(NCC1CC1)[C@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 23339253 RWWDMYPTZLTCMC-FQEVSTJZSA-N 355.526 2.889 0 50 FFAA CCc1ccc(OCCN(C)C(=O)c2ccccc2-c2nnn[nH]2)cc1 55360786 SUONDOIVMJCVFF-UHFFFAOYSA-N 351.410 2.580 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 117747208 XCWJFHHMYVFRPD-YOEHRIQHSA-N 354.406 2.984 0 50 FFAA COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccnn3C)nc2N)c1 113428556 ZRJGMDIPCQOGNI-UHFFFAOYSA-N 357.801 2.979 0 50 FFAA investigational O=c1cc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)[nH]c2ccccc12 20295389 JQLZRTLLPDYNPJ-LJQANCHMSA-N 369.509 2.729 0 50 FFAA CCc1nc(-c2ccc(C(=O)N3CC[C@@H](CN4CCCC4)C3)cc2)n[nH]1 126546994 PPWDOWHHGAONIM-HNNXBMFYSA-N 353.470 2.592 0 50 FFAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)N1CCN2CCOC[C@H]2C1 329815833 FFAFXFISUFYJPW-QGZVFWFLSA-N 369.469 2.679 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)c1 72447400 LQMRDJZBXALSIE-UHFFFAOYSA-N 358.404 2.710 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N3CCCN(CC4CC4)[C@@H](C(C)C)C3)c2n1 71748901 TYPLWLYJOVLWPN-LJQANCHMSA-N 369.513 2.929 0 50 FFAA O=C(CCc1ccc(=O)[nH]n1)NCc1ccc2[nH]c3c(c2c1)CCCCC3 71388622 IMXMNWQWXJCSER-UHFFFAOYSA-N 364.449 2.769 0 50 FFAA CN(Cc1cc[nH]n1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 484117501 PUMVWPKBRGNLAG-UHFFFAOYSA-N 360.215 2.835 0 50 FFAA O=C(NC[C@H](O)c1cc2ccccc2s1)N[C@@H]1CCc2[nH]ncc2C1 154477494 HNIZNZOKHSURLD-HIFRSBDPSA-N 356.451 2.515 0 50 FFAA Cc1nc(-c2ccccn2)nc(N2CCC3(CCC3)S(=O)(=O)CC2)c1C 334129527 SHNCOFWSCPXTFI-UHFFFAOYSA-N 372.494 2.703 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H](N)c3ccccc3)C2)n1 237742599 IUQLQRNNNNEDFV-ROUUACIJSA-N 366.465 2.657 0 50 FFAA O=C(O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)n(-c2ccccc2)n1 237989009 XXVCQAHKLYKYJT-OAHLLOKOSA-N 363.373 2.824 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc(Cl)c(F)c3)CC[C@H]2N1CCCO 72419161 HZUYRMYJWWQDRG-WMLDXEAASA-N 354.853 2.674 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 238077086 GMKRLBXAPQTTLA-RUJXFNLJSA-N 352.390 2.749 0 50 FFAA COc1ccc2[nH]cc(C(=O)N[C@@H](C)c3nnc(C(C)C)o3)c(=O)c2c1 216154948 WEIYZGSVUYLMGB-JTQLQIEISA-N 356.382 2.534 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)C3CCN(C(C)=O)CC3)C2)cc1 77541195 GXVXHCKXRFIWOQ-QGZVFWFLSA-N 374.481 2.571 0 50 FFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@H]3CCCC[C@H]3C1)C2=O 239297042 DPRSGOWJHHDXSX-DICRZQGBSA-N 361.486 2.526 0 50 FFAA O=C(NCCOc1ccccc1)N(Cc1ccncc1)C[C@@H]1CCCO1 426372217 KTYVIPFBNPOIMS-IBGZPJMESA-N 355.438 2.851 0 50 FFAA O=C(NCCCN1CCCC[C@H]1CO)c1ccc(-c2ccncc2)cc1 426399131 ZVTIYRXWZMJIBI-FQEVSTJZSA-N 353.466 2.715 0 50 FFAA CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 40060412 JDGPUTAPAZBYPK-UHFFFAOYSA-N 366.483 2.618 0 50 FFAA CC(C)(C)c1cc(CNC(=O)N2CCN(CCc3ccccc3)CC2)[nH]n1 426563036 FKZRWVCILFHRHL-UHFFFAOYSA-N 369.513 2.777 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1)CC2 91950760 OBRHFVHBWURTGS-UHFFFAOYSA-N 353.470 2.594 0 50 FFAA CCOc1ccc(C(C)(C)NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1 95387840 ADJOVJHMFVIGBF-HNNXBMFYSA-N 361.486 2.830 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(C/C=C/c1ccc(OC)cc1)CCN2C 95384325 YAJYKXSAPKEVBN-BDNZGDGKSA-N 371.525 2.727 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H]1CCOc3ccccc3C1)OCCO2 95529403 KYOYROGFBZHXEK-OAHLLOKOSA-N 369.417 2.724 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2ccc(Cn3ccnc3)o2)CC1 95508575 CLCQJEFOGCSQCX-UHFFFAOYSA-N 353.426 2.761 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 239203296 SCAIPAYRKDAVHM-FKAIMOKRSA-N 364.445 2.685 0 50 FFAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H](c1ccccc1)c1ccncc1 97334128 FBERUMCNCJYCRG-NRFANRHFSA-N 370.416 2.506 0 50 FFAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cc(-c2ccccc2O)n[nH]1 95354342 DQKDONGZPGZXHV-ZDUSSCGKSA-N 370.453 2.501 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)Cn3c(C4CC4)nc4ccccc43)C[C@@H]2N)o1 91486505 GSZKPXHIIATYHW-HOTGVXAUSA-N 364.449 2.768 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2cccnc2O)C3)cc1 92077578 ONIMEDXUZKGAKJ-DLBZAZTESA-N 367.449 2.532 0 50 FFAA CCCSCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 91536270 KZCUDWMKPYEEPT-LBPRGKRZSA-N 370.902 2.961 0 50 FFAA CN(C(=O)CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1 92062224 REJDLXOBGAWDEM-QFIPXVFZSA-N 369.509 2.764 0 50 FFAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1OCc1ccccc1 244741851 NXXGZRFWDUMGHG-SFHVURJKSA-N 352.434 2.958 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)ccc1Cl 245226732 JQXZJDFFNQQQHW-YRWVIOBZSA-N 357.793 2.684 0 50 FFAA CO[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nn1)c1ccccc1 181752536 NKCXGCCKTXTCMX-CYBMUJFWSA-N 355.316 2.535 0 50 FFAA O=C([C@H]1Cc2ccccc2CN1)N1CCC(Oc2ccccc2F)CC1 638857752 IAQXKMBTUXLHRK-LJQANCHMSA-N 354.425 2.910 0 50 FFAA CC[C@@H](C)n1nc(C)cc1NC(=O)NCCn1ncc2ccccc2c1=O 299756686 HIGJNGPDRIPTPS-CQSZACIVSA-N 368.441 2.694 0 50 FFAA Cc1nnc(SCC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)s1 299755624 GFYUDSMCCJLJNW-OAHLLOKOSA-N 362.524 2.577 0 50 FFAA CC[C@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1nc(C)c(C)s1 299788729 ZWBCUCOENOLRKA-HNNXBMFYSA-N 366.508 2.973 0 50 FFAA Cc1c(Cl)cccc1-n1nc(CC(N)=O)nc1CN(C)C1CCCC1 826841805 APYFSSOCESBXEN-UHFFFAOYSA-N 361.877 2.631 0 50 FFAA CCCN1C[C@H](NC(=O)CCC(=O)Nc2ccccc2C(C)(C)C)CC1=O 822919234 UTPHEOVYXZMQEG-OAHLLOKOSA-N 373.497 2.830 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)N(C)Cc3n[nH]c4c3CCC4)n2)c1 584901213 LMHBIXGTBJYNOM-UHFFFAOYSA-N 366.425 2.598 0 50 FFAA O=c1ccc2cc(S(=O)(=O)NCCCc3ccccc3F)ccc2o1 670462339 SNEOBAQNEJMCOR-UHFFFAOYSA-N 361.394 2.843 0 50 FFAA C[C@@H]1CN(C(=O)Cc2csc(COc3ccccc3)n2)CC[C@@H]1CN 1341879735 SYZZLZJIYNMBIN-HUUCEWRRSA-N 359.495 2.708 0 50 FFAA Cc1ccccc1CNC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565528451 XDQAYQUPMBOMSI-APWZRJJASA-N 355.482 2.928 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccc2ncsc2c1 1565529439 WENKQPLLYHHGRM-RDJZCZTQSA-N 369.446 2.795 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1CCC(C(=O)O)CC1 268946535 XFKYREQMICXFBB-HTWSVDAQSA-N 356.422 2.710 0 50 FFAA CC[C@@H](NC(=O)Nc1nnc(-c2ccco2)s1)[C@@H](O)C(F)(F)F 270862381 KIYSSLNUUQJXNR-HTRCEHHLSA-N 350.322 2.621 0 50 FFAA Cc1cccc(OC[C@@H](C)NC(=O)N2CCC(O)(C(F)(F)F)CC2)c1 271826644 SVVXMHWQTGNUDA-CYBMUJFWSA-N 360.376 2.861 0 50 FFAA Cc1nnc([C@H]2COCCN2C(=O)c2ccc(Br)cc2C)o1 275248478 BYUYPGJSBZZUFZ-CYBMUJFWSA-N 366.215 2.663 0 50 FFAA CCn1c(Sc2ncnc3c(C)cccc23)nnc1N1CCOCC1 301649762 FRAOBMDRZGULES-UHFFFAOYSA-N 356.455 2.537 0 50 FFAA CC(C)N1CCC(NC(=O)c2ncccc2OCc2ccncc2)CC1 170848358 NFTSDZWRVNKNQM-UHFFFAOYSA-N 354.454 2.658 0 50 FFAA O=C(NCc1cccnc1)C1CCN(C(=O)c2cccc3c2CCC3)CC1 194373000 BQMTYEJAIVUSHJ-UHFFFAOYSA-N 363.461 2.739 0 50 FFAA COc1ccc(Br)cc1CNC(=O)C1CCC(C(=O)O)CC1 194406516 DHBAZXSDXMUJLO-UHFFFAOYSA-N 370.243 2.965 0 50 FFAA Cc1cccc(CCN2CCCN(C(=O)c3ccc(Cl)cn3)CC2)n1 1529191686 BSOAMBNIPFBAGJ-UHFFFAOYSA-N 358.873 2.829 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2c(Cl)ccc3ncccc23)CC12CCOCC2 1800414577 UXWYVUCHLAMIPM-CYBMUJFWSA-N 374.824 2.842 0 50 FFAA CCO[C@H](C)CNC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704304498 FYVTXNISLMFSHS-LLVKDONJSA-N 365.405 2.710 0 50 FFAA O=C(CN1CCC(c2ccnc(O)c2)CC1)NCCc1ccc(Cl)cc1 1772811320 SJAIOJKEWWZCEH-UHFFFAOYSA-N 373.884 2.979 0 50 FFAA COc1cc(-n2nnc(C(=O)N(C)c3ccccc3)c2N)ccc1Cl 11690515 UEGHWCGAKXIWCT-UHFFFAOYSA-N 357.801 2.788 0 50 FFAA O=C(Cn1ccnc1)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 11935396 JRJWGJFLJBSXHF-QFIPXVFZSA-N 366.509 2.830 0 50 FFAA Cc1nc(CNC(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)sc1C 12302387 BYMJOXIBQFRQKQ-UHFFFAOYSA-N 358.471 2.781 0 50 FFAA CN(C)c1cccc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 12315520 MHQMNNSBRODDIN-INIZCTEOSA-N 371.868 2.937 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1CCCn1cccn1 12754210 YJJOZTFLHNXDDY-LJQANCHMSA-N 364.453 2.562 0 50 FFAA COCCN1CCN(CC(c2ccccc2)c2ccccc2)CCC1=O 15002059 ICGIMJJCZMACQE-UHFFFAOYSA-N 352.478 2.999 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccncc3Br)n[nH]c21 1857531453 WNGKYKYXFIGASX-BDAKNGLRSA-N 365.231 2.519 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)Cc1cc2c(cc1Cl)OCCO2 1857668253 CCKIUBQJQNXMQJ-IRWQIABSSA-N 365.857 2.806 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3)c1ccccc1 1857717134 MRKDEQJKWBOSOI-BVIKNXMNSA-N 368.399 2.848 0 50 FFAA O=C(CCc1nc2ccccc2s1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1857717906 FANNBKYQJWNDIO-NVXWUHKLSA-N 367.474 2.686 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(OC)cc3C)C[C@]23CC[C@H]1O3 1857719928 YVNAROGUDDWZNT-GPQLQYNLSA-N 372.509 2.899 0 50 FFAA COCCC1(NC(=O)[C@H]2CC(=O)N(c3nc4ccc(C)cc4s3)C2)CC1 1857723408 FDUDKTKTMAABRV-ZDUSSCGKSA-N 373.478 2.643 0 50 FFAA Cc1cccc(C)c1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857723851 ZGVVEDQDAJCENR-JZJXAQOMSA-N 354.494 2.923 0 50 FFAA NCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 238037171 GSDGXQCNLPHHHO-UHFFFAOYSA-N 356.797 2.718 0 50 FFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3c(c2)OCCO3)c1 216577406 AENIDZKKXJKSCW-UXHICEINSA-N 365.477 2.949 0 50 FFAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c2ccccc21 212980037 IGPVJMZUTREITB-CVEARBPZSA-N 351.450 2.651 0 50 FFAA CCOc1ncc(C(=O)N2CCC(N3CCCCC3=O)CC2)cc1Cl 120195596 PSFWMHGOUIBPDC-UHFFFAOYSA-N 365.861 2.751 0 50 FFAA O=C(N=c1cc[nH]cc1Br)N1CCC(OC2CCC2)CC1 333294809 IFGUKOSAMOTVCS-UHFFFAOYSA-N 354.248 2.831 0 50 FFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](C(=O)O)C3)s2)c(C)c1 237759666 RTVINNYSDKBKCI-AWEZNQCLSA-N 360.435 2.661 0 50 FFAA CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(C)s3)cc21 266124937 CISHINZWJDXBEZ-UHFFFAOYSA-N 365.480 2.949 0 50 FFAA COc1ccc(NC(=O)Nc2cnn(CCF)c2)cc1N1CCCC1=O 952834037 JOYJRNRBSBRMSS-UHFFFAOYSA-N 361.377 2.632 0 50 FFAA CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2nnc(O)n2c1 1875290382 ZEJNFFACUGAIHD-UHFFFAOYSA-N 361.446 2.518 0 50 FFAA Cc1c(CN2CC[C@H](Cc3nc(C(=O)O)cs3)C2)cnn1CC(F)F 1875291111 NXCOUYRKYLGEKH-LLVKDONJSA-N 370.425 2.676 0 50 FFAA O=C(N[C@@H]1CC[C@@H](OC(F)F)C1)N1CCN(Cc2cccc(F)c2)CC1 1875363377 FSJVWZGMWKRHSU-HZPDHXFCSA-N 371.403 2.813 0 50 FFAA COCCC(=O)NCC[C@@H]1CCCCN1c1nc(C)cc(C(F)(F)F)n1 1875303316 MZMUXFQNJMASIP-ZDUSSCGKSA-N 374.407 2.706 0 50 FFAA Cc1cc(C(F)(F)F)c2c(C)c(C(=O)NS(C)(=O)=O)sc2n1 1875390876 YTOBYPADJAHABF-UHFFFAOYSA-N 352.359 2.621 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1 1875401176 SDLDBWKFXVCRDH-UPRAQXHNSA-N 369.396 2.852 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc(Oc2ccccc2)o1 1875402534 ISEDNPZNRYHKDX-USXIJHARSA-N 367.405 2.838 0 50 FFAA COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1 2440439 IMCGMDJFYXNBOW-AWEZNQCLSA-N 366.377 2.517 0 50 FFAA CSCC[C@@H]1NC(=O)[C@H](Cc2cccc(Oc3ccccc3)c2)NC1=O 2325772240 DRLRPAIYHVIHBI-ROUUACIJSA-N 370.474 2.758 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)c1nccs1 2325788358 APHRLWOVXREBGH-LLVKDONJSA-N 356.407 2.614 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)CCc2ccc(-c4nn[nH]n4)cc2)C3)cc1 2325807929 JSJYXQVAQMJRLH-SIKLNZKXSA-N 373.460 2.908 0 50 FFAA CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(OC)nc1 2325826558 FQMATMAYGZPPKG-RDJZCZTQSA-N 359.495 2.647 0 50 FFAA COC(=O)[C@H]1C[C@@H](C)CN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 2325868918 QJBMJVGLHAMXEH-OCCSQVGLSA-N 359.401 2.591 0 50 FFAA COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 711687 CSGNXIHFSZDXLK-LJQANCHMSA-N 369.442 2.902 0 50 FFAA CN1CCC[C@@]2(CCCN2Cc2cc(=O)c3cc(Cl)ccc3[nH]2)C1=O 2356164384 QSGHEMVAXOAZTI-LJQANCHMSA-N 359.857 2.768 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3csc(-c4ncccn4)n3)C[C@H]21 2356165821 PQJKSNDIAAJVGH-JCGVRSQUSA-N 358.467 2.613 0 50 FFAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 4113671 KRKODTDPSKONGC-WMZOPIPTSA-N 374.437 2.826 0 50 FFAA biogenic O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1cccs1 4411718 HEGVYBCFHSBAIZ-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA CCc1cc(C(=O)OC)c(NC2=NS(=O)(=O)c3ccccc32)s1 4487928 JJPAWIRNHWFTKH-UHFFFAOYSA-N 350.421 2.658 0 50 FFAA CCCNC(=O)c1cccc(C(=O)N2CCC(CN3CCCC3)CC2)c1 133508906 XAVXCJWCKAEION-UHFFFAOYSA-N 357.498 2.774 0 50 FFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cnc2ccccc2n1 225505223 NETYRIDRBMRYLR-GOSISDBHSA-N 352.419 2.741 0 50 FFAA Cc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C 9875088 OOBTUTWONKIABY-UHFFFAOYSA-N 358.486 2.641 0 50 FFAA Cc1ccc(CN2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc1 104376185 NYWUYSCTFUJOTF-OAQYLSRUSA-N 356.514 2.841 0 50 FFAA CCn1ncc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)c1C 65406957 CPEMMOMXLCOVFF-SNVBAGLBSA-N 357.380 2.801 0 50 FFAA COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 409414532 LWEWEGHQDGIYGL-VQIMIIECSA-N 374.529 2.642 0 50 FFAA O=C(CN1CCOCC1)Nc1ncc(Cc2cccc(Cl)c2)s1 20083267 VGBGUYAOJQSICM-UHFFFAOYSA-N 351.859 2.658 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)n1 67896074 NQSICDHHBAELJH-AXXZIJKBSA-N 369.517 2.521 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC[C@H]1c1ccc[nH]1)C(=O)C2 252477121 IMYNXQCQSBHWGN-DHSIGJKJSA-N 350.484 2.877 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2F)n1 67603937 MFPHKRJEELQOHO-UHFFFAOYSA-N 357.433 2.756 0 50 FFAA Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc2c1 216118575 ZZLRPQTZKYIUDG-HXUWFJFHSA-N 364.449 2.675 0 50 FFAA c1ccc(OCCn2ccnc2)c(CN2CCN(c3ccncc3)CC2)c1 215763782 UTLCAPSKEVAIRP-UHFFFAOYSA-N 363.465 2.679 0 50 FFAA CCCCN(C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 253419270 LMKDXBGNEUCUMK-XLIONFOSSA-N 359.514 2.977 0 50 FFAA CCOc1ccccc1NC(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 72153943 WSEVOYAGFLLLEQ-INIZCTEOSA-N 360.502 2.765 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccc(OCCn3ccnc3)cc2)C[C@H]1C(C)C 77380208 DUACOSBZSVSZBA-LEWJYISDSA-N 370.497 2.555 0 50 FFAA NCCN1C(=O)CC[C@H]2CN(Cc3ccccc3-c3ccco3)CC[C@H]21 72453850 OMQHWDVTYNAGOU-PKOBYXMFSA-N 353.466 2.718 0 50 FFAA CCc1nccn1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 72425221 OVSVFGKGVSEEBB-QGZVFWFLSA-N 358.461 2.708 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)CC2CCOCC2)C1 490907408 BBLVWTFCTWXNNH-CYBMUJFWSA-N 359.392 2.962 0 50 FFAA CCCCCC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 72428748 IISQSWROTSACBK-KRWDZBQOSA-N 360.502 2.908 0 50 FFAA OCCOc1cccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1 72418660 LEFLDWVNADUMLC-JOCHJYFZSA-N 366.505 2.733 0 50 FFAA CC(C)c1nc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)no1 72432761 NGADGOKESPZKDF-HXUWFJFHSA-N 369.469 2.997 0 50 FFAA Cc1cc(=O)c(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)c(C)[nH]1 72121659 MKILQMRHDDKQSQ-IBGZPJMESA-N 367.493 2.771 0 50 FFAA CC1CCN(C(=O)c2ccc(NC(=O)N3CC[C@@H]4CNC[C@@H]4C3)cc2)CC1 333156609 LEKPSUKBJMJZRI-QZTJIDSGSA-N 370.497 2.632 0 50 FFAA Cc1c(NC(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)sc2c1CCCC2 174392640 LLOIWJKJZDFXLY-UHFFFAOYSA-N 369.450 2.765 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)nc12 82108050 DPRWGQJRJKJYST-OAHLLOKOSA-N 352.442 2.649 0 50 FFAA O=C(O)c1cc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cs1 238200235 QNHJFPLQPRDOEZ-UHFFFAOYSA-N 355.412 2.596 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NC[C@H]2CCCO2)cc1 241435179 NLJMVMJOKODJKV-JTDSTZFVSA-N 374.481 2.764 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2ccc(C)c(OC)c2)n1 289159603 QYQCGKGBKJFJOF-OAHLLOKOSA-N 358.442 2.564 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)cc1 40286757 VAOLBHGLJXQFQD-LBPRGKRZSA-N 350.378 2.563 0 50 FFAA CN1C(=O)COc2ccc(C(=O)N3CCCC[C@@H]3c3nccs3)cc21 426477521 GLXFEZBKURSUPT-CYBMUJFWSA-N 357.435 2.866 0 50 FFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCSc1nncn1C 426669032 MJVGBAFEPIYFKR-ZDUSSCGKSA-N 372.498 2.587 0 50 FFAA CCn1c(C)cc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1C 91269778 QDPYUZSHNDPGLI-NRFANRHFSA-N 357.498 2.990 0 50 FFAA CN1CCC(Cc2nc(-c3cnn(C)c3)n(Cc3ccc(F)cc3)n2)CC1 96166436 CXXLAQYDAJKZIU-UHFFFAOYSA-N 368.460 2.750 0 50 FFAA CCCCOCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95355798 SQIXKSMHNVTXHG-KSEOMHKRSA-N 372.509 2.901 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2C2CCCCC2)[C@H]1c1ccc(F)cc1 97528051 GERHDJXKTYVEQC-SFHVURJKSA-N 370.428 2.910 0 50 FFAA COc1ccc(Cc2nc([C@@H]3COc4ccccc4O3)n(C)n2)cc1OC 95522144 WCUQRDPVPJLZQL-SFHVURJKSA-N 367.405 2.936 0 50 FFAA COc1ccc2c(c1)CCN(c1ncccc1C(=O)N1CCCC1)CC2 95384356 LSRFUHFMLYVLPZ-UHFFFAOYSA-N 351.450 2.931 0 50 FFAA CN1CCC[C@@]2(CCN(Cc3ccc4c5c(cccc35)C(=O)OC4)C2)C1=O 91547749 FTBWBVUSIKDBQE-QFIPXVFZSA-N 364.445 2.955 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCOc3ccc(CO)cc3C2)c1 244723609 MELATENCRZMOEO-KRWDZBQOSA-N 368.477 2.868 0 50 FFAA CCOCCOc1cccc(C(=O)N2CCN(c3ccnc(C)c3)CC2)c1 244795669 RLJDYLHXGXJDJD-UHFFFAOYSA-N 369.465 2.768 0 50 FFAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(SC)[C@H]5[C@H]4[C@H]1[C@@H]1CC[C@H]([C@H]51)[C@]32O 247854231 SQCIWXCDMLADBM-JUMDKPQESA-N 372.530 2.816 0 50 FFAA CN(C)c1nc2c(c(-c3cccc(C(=O)N4CCOCC4)c3)n1)CCCC2 244852571 UUTUFXQMBHXXSG-UHFFFAOYSA-N 366.465 2.561 0 50 FFAA O=C(NCCCc1nc2ccc(F)cc2[nH]1)N1CCC[C@H]1Cn1cccn1 534649919 RHCRACLXYZLIRO-HNNXBMFYSA-N 370.432 2.705 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCC[C@@H](c2ccncn2)C1 299779834 RTGUHPMIFWSWLW-CQSZACIVSA-N 374.466 2.600 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)[C@H]2C1 299764754 DQZGWEYQHMOKQY-WSTZPKSXSA-N 355.438 2.875 0 50 FFAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cc2ccccc2s1 299757728 MTAPCKVOLMQCPY-OAHLLOKOSA-N 359.495 2.574 0 50 FFAA COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1C(=O)N(C)C 824704404 CCPILEDRMABNSY-UHFFFAOYSA-N 350.378 2.593 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)CCc1c[nH]c2ccccc12 824596486 WYVKVJFOCWLPOC-UHFFFAOYSA-N 362.393 2.724 0 50 FFAA COc1c(F)cc(C(=O)Nc2ccccc2NC(=O)CN(C)C)cc1F 952971112 RJCMINXVTDGJJL-UHFFFAOYSA-N 363.364 2.726 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C1 1565511107 FRMRIGGBWPWOTE-MJGOQNOKSA-N 370.497 2.773 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1cnn2cc(C)cnc12 952962091 ADBZHQKSXGVRCP-UHFFFAOYSA-N 364.365 2.657 0 50 FFAA COCCNc1ccccc1CNC(=O)[C@H](O)Cc1ccccc1Cl 170599958 JHPVLZCJVJZJAE-GOSISDBHSA-N 362.857 2.618 0 50 FFAA CNC(=O)[C@H](NC(=O)CN[C@H](C)c1cc(C)c(F)c(C)c1)c1ccccc1 170591743 IJOFIGOLZXVFAO-FOIQADDNSA-N 371.456 2.697 0 50 FFAA CCN(CCNC(=O)COc1ccc2c(c1)CCC2)CCC(F)(F)F 170612929 FAPIJUXFCCLURH-UHFFFAOYSA-N 358.404 2.945 0 50 FFAA Cc1csc2c(N3CCN(C4C[C@@H]5CC[C@H](C4)N5C)CC3)ncnc12 192723570 XFIUUWPAQGVOLR-XYPWUTKMSA-N 357.527 2.747 0 50 FFAA Cc1sc2ccccc2c1CN1CC[C@H](N2CCC(O)CC2)[C@@H](O)C1 1616103029 MYNOOZGXJBMUHJ-OALUTQOASA-N 360.523 2.602 0 50 FFAA Cc1ccccc1N1CCCN(c2cncc(C(=O)N3CCCC3)n2)CC1 1506414647 HPBPARWXHUFGKG-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA CC(C)c1cc(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)nc2ncnn12 1506430656 BOKIEVLEJCWNPN-UHFFFAOYSA-N 367.388 2.535 0 50 FFAA Cc1ccsc1[C@H](CNc1ccc(C(=O)N2CCOCC2)cn1)N(C)C 1704355654 VZZJFIIGGKMREE-INIZCTEOSA-N 374.510 2.639 0 50 FFAA CC[C@@H](C(=O)N1CCCN(c2ncnc3ccccc23)CC1)n1cccn1 1772804319 MCZBTWMFSMHDGB-SFHVURJKSA-N 364.453 2.516 0 50 FFAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccs1)CC2 11872323 CEWJNSWMWARLSH-INIZCTEOSA-N 361.515 2.621 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)no1 12444810 JVXWLXDVCQARFD-HNNXBMFYSA-N 367.453 2.547 0 50 FFAA CCOC(=O)c1cnn(-c2cccc(F)c2)c1CNCc1ccccn1 14992192 ZGFSGHZUIBKLTK-UHFFFAOYSA-N 354.385 2.873 0 50 FFAA COc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)no2)cn1 169755277 AECIWEHZFRQGPI-AWEZNQCLSA-N 350.378 2.969 0 50 FFAA O[C@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@@H]1NCc1cccc2c1NCCC2 1857531446 VZYVBGHSJUALFA-KKXDTOCCSA-N 360.889 2.824 0 50 FFAA CCN(CC)Cc1cc(-c2nccn2[C@@H]2CNCC[C@@H]2OC)ccc1OC 1857696708 MQLPRAZRDCCQPV-QUCCMNQESA-N 372.513 2.950 0 50 FFAA CC[C@@]12COC(=O)N1CCN(c1cc(C)nc(-c3ccccc3O)n1)C2 1857701550 NQCHCSJQSNUMGU-LJQANCHMSA-N 354.410 2.579 0 50 FFAA Cn1ccnc1CN1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857724469 GGUWWTRHXWUSAZ-HXUWFJFHSA-N 355.486 2.693 0 50 FFAA CNC(=O)Cc1cnc(NC(=O)c2ccc(-c3ccc(OC)cc3)o2)s1 1875240538 ARVABVGFPZBKBR-UHFFFAOYSA-N 371.418 2.953 0 50 FFAA COc1ccc(CCCC(=O)N[C@H]2C[C@H]3CO[C@@H](C(C)C)CN3C2)cc1 1875242714 YPJJSVUMEMGZDI-CMKODMSKSA-N 360.498 2.632 0 50 FFAA Oc1nccnc1N1CCC[C@H](NCc2cc(F)cc3cccnc23)C1 328639905 PUERRXGVLUFQQI-INIZCTEOSA-N 353.401 2.628 0 50 FFAA Cc1cccc(C)c1OCCn1cnc2c(nnn2-c2ccccc2)c1=O 131984619 GTTFXBUJZXLICV-UHFFFAOYSA-N 361.405 2.673 0 50 FFAA O[C@H](CNC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1F 843082211 IZXJSRYJQVYNMW-JKSUJKDBSA-N 367.804 2.607 0 50 FFAA O=C(N[C@H]1CCC[C@H]1C1CCCC1)C(=O)N1CCC(c2ccncn2)CC1 1875307615 GEYHPNOHYNKUIR-HKUYNNGSSA-N 370.497 2.658 0 50 FFAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](Nc4ccccn4)CC3)[C@@H]2C1 1875305538 DNEQSDMWPRBGHY-KOWPAETKSA-N 357.454 2.668 0 50 FFAA CNC(=O)c1cc(-c2cc(Cl)cc(C)c2OC2CCNCC2)cnc1N 1875330153 QAIZGBYETBQYOP-UHFFFAOYSA-N 374.872 2.783 0 50 FFAA COc1ccc(CCC(=O)NCc2n[nH]c(Cc3ccccc3)n2)cc1 1875320819 MDTPZXLLJFEPBY-UHFFFAOYSA-N 350.422 2.653 0 50 FFAA O=C(N[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C1)[C@@H]1Cc2ccc(F)cc21 1875406553 HIISYEYWOQLYJE-NCSHMKOMSA-N 356.441 2.809 0 50 FFAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 880287876 MCSACGJPEZTWAN-YIILKADPSA-N 365.433 2.712 0 50 FFAA Cc1ccc([C@@H](O)CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886068664 HGCIZYJWLZENND-RTWAWAEBSA-N 355.482 2.638 0 50 FFAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 717181 IVTYUXFCNQFJDN-UHFFFAOYSA-N 355.312 2.848 0 50 FFAA COc1ccccc1CCNC(=O)c1nc(-c2cccnc2Cl)no1 12371758 YJTLDVSOQQBUPX-UHFFFAOYSA-N 358.785 2.766 0 50 FFAA COc1ccc(CC2=NO[C@@H](CNC(=O)c3ccc(OC)c(F)c3)C2)cc1 12098986 DQVBLDSWTODZKI-QGZVFWFLSA-N 372.396 2.960 0 50 FFAA Cn1cc([C@H](NC(=O)c2ccc3c(c2)CCCNC3)c2ccccc2)cn1 2325795355 BDKNHEURHCIKHJ-OAQYLSRUSA-N 360.461 2.975 0 50 FFAA Cc1ccccc1-c1noc(C)c1C(=O)NCc1nn(C)c2c1COCC2 2325797008 QWEFLNXRUXNHGO-UHFFFAOYSA-N 366.421 2.695 0 50 FFAA Cc1cc(C)c2c(c1)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)CCC2 2325862734 GHABUCHZULLTOD-LJQANCHMSA-N 366.461 2.868 0 50 FFAA S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 102248584 DSTYRSYHTVOIEM-XIRDDKMYSA-N 373.522 2.596 0 50 FFAA Cc1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc32)cc1C 1353534 HWKAFPJXSMQRFT-UHFFFAOYSA-N 365.462 2.961 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)Cc3cc(F)ccc3-n3cccn3)C[C@H]2CC1=O 2356151352 FBPUNQYZHIDQHG-DAYGRLMNSA-N 356.445 2.700 0 50 FFAA Cc1nc(C)c(-c2nnc(NC(=O)[C@@H]3CC(=O)OC34CCCC4)o2)s1 2356152633 SMXATODHTNNDNV-JTQLQIEISA-N 362.411 2.624 0 50 FFAA CCC[C@@]1(C(=O)O)CN(CCOc2cc(C)ccc2Cl)CC[C@@H]1O 2356154727 HQDJRVGBXRWJIP-FUHWJXTLSA-N 355.862 2.965 0 50 FFAA CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)n1CC 6699735 DZZCBAROMXHXNR-UHFFFAOYSA-N 370.276 2.749 0 50 FFAA C[C@H]1CN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CCN1C 55108482 UTNFONGTCCZQHS-LBPRGKRZSA-N 358.442 2.978 0 50 FFAA CCN(CCN1CCOCC1)C(=O)CSCc1ccccc1Cl 55131686 VPRDCTFPUJCPSA-UHFFFAOYSA-N 356.919 2.754 0 50 FFAA Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cnc2ccccn2c1=O 56438427 HPWNAOREHKKOJB-OAHLLOKOSA-N 351.406 2.509 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N(CC1CCC1)C[C@H]1CCCO1 65530923 MOLGSCUIJZNRAY-GOSISDBHSA-N 352.438 2.960 0 50 FFAA Fc1ccccc1N1CCN([C@H]2CCCN(CCCn3cccn3)C2)CC1 20535973 CGXQPXFZKNIWAM-IBGZPJMESA-N 371.504 2.699 0 50 FFAA O=C(NC[C@H]1COc2ccccc2O1)c1cc(Cc2ccccc2)no1 12049284 CEFBTCNSLAQJGS-INIZCTEOSA-N 350.374 2.835 0 50 FFAA C[C@]12CCC(=O)N1c1cc(F)ccc1-c1nc(=O)c(-c3ccccc3)nn12 170620116 MJYCYUPWNLYPAB-FQEVSTJZSA-N 362.364 2.925 0 50 FFAA O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1cccnc1Cl 65771269 OAGRHRFIKOIVAY-UHFFFAOYSA-N 373.888 2.674 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(Cn3cccn3)o1)C2 67983319 CJKQHHAVWNUIFQ-UHFFFAOYSA-N 351.410 2.768 0 50 FFAA O=C(NCc1n[nH]c2c1CCC2)c1cc(COc2c(F)cccc2F)on1 67850783 KUAGQAAMPWWECP-UHFFFAOYSA-N 374.347 2.674 0 50 FFAA C[C@@H]1C[C@H](CSCC(=O)Nc2ccc(C(=O)N(C)C)cc2)CCO1 485598726 KPBGOVDNRYUMRN-ZIAGYGMSSA-N 350.484 2.875 0 50 FFAA c1nc(N2CCOCC2)cc(N2CCC[C@@H](NC3CCC4(CC3)CC4)C2)n1 330183033 PLWNSNAQRXOYPG-GOSISDBHSA-N 371.529 2.594 0 50 FFAA Cc1c(C(=O)N2CCNC[C@@H]2C)cnn1-c1cccc(C(F)(F)F)c1 125797173 IMDXBWYEWFZXMY-NSHDSACASA-N 352.360 2.633 0 50 FFAA Cc1c(CCC(=O)N2CCC[C@@H]2CN2CCc3ccccc32)cnn1C 362668196 CTOJJBUPPMKORH-LJQANCHMSA-N 352.482 2.715 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 154397383 PPUOKIOWIBWFRF-INIZCTEOSA-N 367.428 2.815 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1cc(OC)ccc1-n1cccn1 77565994 VLVYWCLCONTLOJ-IBGZPJMESA-N 356.470 2.714 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)cc2)o1 215387604 KLCDLOUNTURMIZ-SFHVURJKSA-N 364.401 2.787 0 50 FFAA COC[C@@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)CCO1 172894004 JGXOGRDACQUKTI-KRWDZBQOSA-N 356.422 2.765 0 50 FFAA Cn1c(-c2ccc(-c3nccn3CCS(C)(=O)=O)o2)nc2ccccc21 72431958 FMJLJDDIESXNRB-UHFFFAOYSA-N 370.434 2.741 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c1C 237735983 SKHWVAZEARYKIY-MRXNPFEDSA-N 371.437 2.585 0 50 FFAA O=C(O)CN(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C1CC1 238072458 MOLJCKZRIZEINH-UHFFFAOYSA-N 350.321 2.628 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 238086313 YYMXPLXZETYQGM-AWEZNQCLSA-N 364.829 2.846 0 50 FFAA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]2(C)[C@@]1(O)C(=O)CO 32071083 ZYTXTXAMMDTYDQ-NTUSLJOASA-N 356.462 2.753 0 50 FFAA Cc1cccc(C(=O)N2CCC(Oc3ccccc3C)(C(=O)O)CC2)n1 72420925 BXWGVZABPYITCC-UHFFFAOYSA-N 354.406 2.837 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1C 77504219 KTFXDVXYUXFFME-LLVKDONJSA-N 367.906 2.611 0 50 FFAA Cn1ccnc1[C@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 378272694 YMCMMOVNXJSUCU-RBUKOAKNSA-N 367.497 2.756 0 50 FFAA Cc1cc(C(F)F)nn1CC(=O)N(C)Cc1ccc(-n2cccn2)cc1 72419006 FYFWJEXTWLHNEY-UHFFFAOYSA-N 359.380 2.973 0 50 FFAA COCC(=O)N1CCCN(C(=O)c2cc3ccc(C(C)C)cc3[nH]2)CC1 71738743 PJFPXIVQWFJAJZ-UHFFFAOYSA-N 357.454 2.612 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 454420260 CPXBOWHVTHCTFB-LBPRGKRZSA-N 353.469 2.727 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(CC(=O)O)c2)CC1=O 263144417 KETJNWHZLTUWRN-RHSMWYFYSA-N 366.417 2.862 0 50 FFAA Nc1nnc([C@H](NC(=O)C2(N3CCCC3)CCCC2)c2ccccc2)s1 220390501 LACFBSCTTFBTKN-OAHLLOKOSA-N 371.510 2.735 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1 221184680 IGCHJLBSVFYUFI-OAHLLOKOSA-N 360.502 2.975 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)CCc2scnc2C)n1 82098860 QMMVSRJDXVRIJK-ZDUSSCGKSA-N 364.471 2.710 0 50 FFAA O=C(c1ccc2ccccc2c1)N1CCC[C@@H](Cn2cc(CCO)nn2)C1 20234421 ZEIZOINNXBXCOY-MRXNPFEDSA-N 364.449 2.519 0 50 FFAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Br 226627858 OJFMPPWHVHSAHE-BQGCOEIASA-N 362.223 2.981 0 50 FFAA CCN(C)C[C@@H]1CN(C(=O)c2cc(C)oc2-c2ccccc2)C[C@@H]1CO 92065824 RKAUWYCHRKICNY-QZTJIDSGSA-N 356.466 2.887 0 50 FFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)cc3)N2C1=S 22204786 VGOUBOHLRURATQ-SJLPKXTDSA-N 363.442 2.947 0 50 FFAA CN1CCC(C(=O)NC[C@H](O)c2cccc(Oc3ccccc3)c2)CC1 97619677 RRGZYCZMDQFGPA-FQEVSTJZSA-N 354.450 2.970 0 50 FFAA CC(C)c1ccc([C@H](CCO)NC(=O)c2ccc(-n3cnnc3)nc2)cc1 97578707 ZDSODHFNTSEGOC-SFHVURJKSA-N 365.437 2.639 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)NCC2CCNCC2)cc1Cl 96136512 XSOWQNOSFIGPTK-UHFFFAOYSA-N 352.866 2.599 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)cc(=O)[nH]1 95388727 VDYSUHFBFUOBAJ-KRWDZBQOSA-N 363.417 2.774 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 95524244 OMRLDVVLEPWZFM-CQSZACIVSA-N 360.424 2.883 0 50 FFAA O=C1OC2(CCNCC2)CN1CC(=O)N(Cc1ccccc1)C1CCCC1 96149542 KXGZCIOKGSRSGK-UHFFFAOYSA-N 371.481 2.532 0 50 FFAA CC(C)(C(=O)O)c1cnc(NCC2CCCCC2)nc1N1CCOCC1 96162310 ZEAVDDWKQLXROV-UHFFFAOYSA-N 362.474 2.668 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1cc(C(C)C)on1)CC(=O)N2 91691211 KXOAIMOHYNDCDI-OAHLLOKOSA-N 357.410 2.891 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3)C2)n1 244724015 MMBSJKRBPZOOJD-HXUWFJFHSA-N 352.482 2.938 0 50 FFAA C[C@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCN1CC(F)(F)F 184527587 NUEAAIZYVJBMFG-LBPRGKRZSA-N 374.411 2.884 0 50 FFAA CN1C[C@]2(CCN(C(=O)Nc3ccc(Cl)c4ncccc34)C2)OC1=O 299792199 DGMVJOZSNZXHAF-KRWDZBQOSA-N 360.801 2.947 0 50 FFAA COc1ccc(CCn2c(C)cc(=O)c(C(=O)O)c2C2CC2)cc1OC 299768625 OOHPTXLSGNBPCF-UHFFFAOYSA-N 357.406 2.992 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1cccc(O[C@@H](C)CN)c1)CC2 299765376 GBNNTUSWBUCTTQ-HNNXBMFYSA-N 356.466 2.988 0 50 FFAA c1ccc(-c2nc(CN3CC[C@H]4[C@H](C3)OCc3cnnn34)cs2)cc1 299757640 IEPBZJRPFPWSRA-IRXDYDNUSA-N 353.451 2.747 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 299769244 KZTLSQNBKRJAQT-CMKODMSKSA-N 355.438 2.671 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1 823819789 QDKXXLZBUSDMBY-QGZVFWFLSA-N 366.465 2.615 0 50 FFAA Fc1ccc(OCc2nc(CN3CCCC3)n(-c3ccncc3)n2)cc1 584889266 KDLSKMVUCIYVNU-UHFFFAOYSA-N 353.401 2.976 0 50 FFAA CSCc1noc(CNC(=O)Cc2csc(-c3ccccc3)n2)n1 824920105 PDDABMZKKGBVPA-UHFFFAOYSA-N 360.464 2.915 0 50 FFAA CN1CCCN(CC(=O)NCC[C@H](c2ccccc2)c2ccco2)CC1 670470844 XHZXXEWGYFKXRS-LJQANCHMSA-N 355.482 2.555 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N3Cc4ccccc4N(C)C[C@@H]3C)cc12 408395835 WOJFKFKIJCJKNE-LBPRGKRZSA-N 372.450 2.560 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@@]12CCCc1ccccc12 170644235 XREQOOJLGKMTIA-OXJNMPFZSA-N 368.506 2.855 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1cscn1 1506407923 UCZLDQYJVBKDIL-UHFFFAOYSA-N 355.466 2.989 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NCCc2noc(C3CCCC3)n2)c1 1506422819 ADGAIKLSJUSHIF-UHFFFAOYSA-N 356.426 2.723 0 50 FFAA CN(CC1CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529151625 KTQBOWZHJMRVDM-MSOLQXFVSA-N 364.873 2.935 0 50 FFAA Cc1ccc(-n2cc(CN3C[C@H](O)[C@H](Cc4ccncc4)C3)cn2)cc1C 1529133366 JSHAASHDEMAAPW-IRLDBZIGSA-N 362.477 2.920 0 50 FFAA COc1ccc2[nH]cc(C(=O)N3CCC[C@]4(CCC[C@H]4OC)C3)c(=O)c2c1 1704297849 DOHLBYPEXOIZAK-WIYYLYMNSA-N 370.449 2.958 0 50 FFAA COc1ccc([C@H]2CN(c3nc4ccccc4o3)C[C@@H]2NC(C)=O)cc1 216725316 CCUOQMSNLBGVEP-AEFFLSMTSA-N 351.406 2.945 0 50 FFAA Cc1nn(C)cc1CN1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 216841266 WGBSXTJHIVJMRO-APWZRJJASA-N 372.538 2.846 0 50 FFAA CC(C)c1ccc(CCCC(=O)N2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704330947 IJUSGNUTTVHBPP-BGYRXZFFSA-N 359.422 2.521 0 50 FFAA CO[C@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H]1Cc1cc(C)no1 1704092166 FELIXOXFHXSAAR-CJNGLKHVSA-N 350.365 2.520 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 237504539 XZKJAAYCKWGMQY-BDAKNGLRSA-N 367.696 2.603 0 50 FFAA CN1C[C@@H](CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)CCC1=O 1775977652 LBSXCKRBAPNQFW-IBGZPJMESA-N 357.542 2.970 0 50 FFAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(C)C1=O 11782291 RVCZPDSMVPYZSO-BTYIYWSLSA-N 372.465 2.503 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)n[nH]1 11936207 XAARLUYQUBUVQN-FQEVSTJZSA-N 370.428 2.512 0 50 FFAA CC1(CCC(=O)N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)CC1 12090743 KFXKHQCSBBAMFG-INIZCTEOSA-N 361.530 2.548 0 50 FFAA CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccccc2)c2ccccc21 12418307 BJNXLLMJSHCBDZ-IBGZPJMESA-N 352.415 2.903 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c(OC)n1 12716595 SXPNOAZLFWSBNW-QGZVFWFLSA-N 369.465 2.835 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)c3nc4ccccn4c3C)[nH]c2c1 1857667806 BNVPBDQIZMQUTN-UHFFFAOYSA-N 363.421 2.842 0 50 FFAA CC[C@@H](C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1)n1cccn1 1857673893 NFBIAJSGFOFFOC-IBGZPJMESA-N 363.465 2.862 0 50 FFAA O=C([C@H]1CCOC1)N1CCC(C2CCN(c3ccncc3F)CC2)CC1 1857723064 VTTJUKVCNCGBQE-KRWDZBQOSA-N 361.461 2.712 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@]12CCOC2 329757888 ZQNRQPDDAJNKKO-QFUCXCTJSA-N 358.482 2.632 0 50 FFAA Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 331279563 HNFUGQBWVLWMAE-GFCCVEGCSA-N 351.859 2.804 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1Cl 245499300 XVXFZGUACVHQLH-OLZOCXBDSA-N 351.834 2.827 0 50 FFAA Cc1nccc2c(S(=O)(=O)N3C[C@H]4CCCC[C@]4(CN)C3)cccc12 1875317092 OQXAZHZWEABSHN-BEFAXECRSA-N 359.495 2.683 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(-c3noc(C4CC4)n3)cc2)cn1 1875383882 BXMJZSFBGKJDEB-FYSMJZIKSA-N 351.410 2.611 0 50 FFAA O=C(O)C12CCC(C(=O)N[C@H]3CC4(CCOCC4)Oc4ccccc43)(C1)C2 1875325766 CBTVXPNNBIBOQV-VMEOHVCESA-N 371.433 2.821 0 50 FFAA O=C(N[C@@H]1C[C@H]2CN[C@@H](C2)C1)c1nccnc1-c1nc2ccccc2s1 877416954 OVFGMOJIHDSSIO-RWMBFGLXSA-N 365.462 2.624 0 50 FFAA CN1CCC2(CCCN(C(=O)c3ccc4nnc(C(F)F)n4c3)C2)CC1 1321326474 UEGJEUXMEANUNQ-UHFFFAOYSA-N 363.412 2.615 0 50 FFAA CCOc1cc(C)c(CN2CCO[C@H](c3nnn(C)n3)C2)cc1C(C)C 2100537553 PREKRJOFTPRREL-SFHVURJKSA-N 359.474 2.614 0 50 FFAA CC(C)(N)C(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100545252 LJTGOEAJHDCXMP-FQEVSTJZSA-N 367.493 2.688 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 2100555353 SCGWTXZSQKSLDA-IBGZPJMESA-N 363.421 2.817 0 50 FFAA COc1ccc([C@H]2CCN(CCC(=O)N3CCc4sccc4C3)C2)cn1 2325751757 CQUBQGKXFYLVPR-INIZCTEOSA-N 371.506 2.916 0 50 FFAA Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O 538538 MTZBBNMLMNBNJL-UHFFFAOYSA-N 354.815 2.562 0 50 FFAA world O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]1N1C(=O)c2ccccc2C1=O 672723 UWFSWSSYDYLUBT-ROUUACIJSA-N 374.396 2.890 0 50 FFAA Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 1298601 BAOWGGGOGYLORY-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 1300749 YIBYPDYJGDVIJJ-SFHVURJKSA-N 352.419 2.741 0 50 FFAA c1ccc2c3c([nH]c2c1)C1(CCN(CC[C@H]2COCCO2)CC1)OCC3 2356137952 BWJLMADZHTVLHT-INIZCTEOSA-N 356.466 2.837 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 2877040 ARMLESSOWJKBFB-UHFFFAOYSA-N 368.842 2.899 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356170245 AFVWHTXBYYEANX-NRFANRHFSA-N 355.482 2.508 0 50 FFAA CCOc1ccccc1CN1CCN(c2noc(C(C)C)n2)C[C@H]1CCO 107011285 ZTXULZWOZAGMCT-QGZVFWFLSA-N 374.485 2.665 0 50 FFAA COCC1(O)CCN(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)CC1 225521149 NJEBEXBVJBTGDG-LBPRGKRZSA-N 354.834 2.521 0 50 FFAA CC(=O)Nc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1F 112663900 XLRKCHHFLQQHJN-UHFFFAOYSA-N 358.417 2.840 0 50 FFAA CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN2CC[C@H](O)C2)cc1 113503530 YZZFUGVUVKTVOH-VQTJNVASSA-N 355.478 2.819 0 50 FFAA COc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c1 100298324 OUKJZZCBHCHUDY-UHFFFAOYSA-N 350.374 2.914 0 50 FFAA Cc1c(CN[C@@H](CN(C)C)c2ccccc2)c2ccccc2n1CC(N)=O 55307643 ICUKYZBZAOOHKE-FQEVSTJZSA-N 364.493 2.828 0 50 FFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc(C)cs1 25695153 BTSCKGQWBLWPOU-UHFFFAOYSA-N 350.440 2.813 0 50 FFAA O=C([C@@H]1COCCO1)N1CCc2onc(-c3cccc4ccccc34)c2C1 67756977 AMGOSJXEDGXNFN-IBGZPJMESA-N 364.401 2.795 0 50 FFAA Cc1ccccc1[C@H](C(=O)NCc1csc(-c2cnccn2)n1)N(C)C 65469985 HXOBDSQKIXYPIE-QGZVFWFLSA-N 367.478 2.828 0 50 FFAA CC(C)CC[C@@]1(C2CCN(c3ncncc3C(C)C)CC2)NC(=O)NC1=O 67817152 FSLWXXZDYVXHOI-FQEVSTJZSA-N 373.501 2.831 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCc2cscn2)n1C 328627719 MZKKCMDMPKAHGL-MRXNPFEDSA-N 360.483 2.528 0 50 FFAA Cc1ccccc1CC(=O)N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 72474204 GBKUOOXVZCXMBS-OAQYLSRUSA-N 370.468 2.772 0 50 FFAA C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 253407610 FSCPCMWJKLERSD-SECBINFHSA-N 364.327 2.631 0 50 FFAA COc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77378499 FHDXHCQFOGDYJY-OAQYLSRUSA-N 371.481 2.878 0 50 FFAA Cn1cc(-c2n[nH]cc2C(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)cn1 333103198 QGAKJGWKPGVRNT-AFBRZQFHSA-N 369.469 2.620 0 50 FFAA CCOc1cccc2c1OC[C@@H](C(=O)Nc1cc(CCOC)ccn1)C2 376157020 IYSUGHDQANCMLG-INIZCTEOSA-N 356.422 2.859 0 50 FFAA OC1CCN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)CC1 72440622 VJCXEZZDDZLCDT-UHFFFAOYSA-N 354.385 2.823 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)C[C@H](C)n3ccnc3)cn2)c1 72474286 GYBNUTVJCINCRD-HNNXBMFYSA-N 353.426 2.687 0 50 FFAA COc1ccnc(CN2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)c1OC 72167908 SRMITYJFQDKXAZ-OAQYLSRUSA-N 367.449 2.609 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCc3ccccc32)cc1 215886886 HQTFLHKTNAGRTA-IBGZPJMESA-N 372.490 2.510 0 50 FFAA Cn1cc([C@H]2CCN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)C2)cn1 157039647 YIGUEHXBOJINHF-INIZCTEOSA-N 372.432 2.784 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cnn4ccccc34)CC2)OC1=O 77422672 OEILROLBNQXSDG-OAHLLOKOSA-N 370.453 2.950 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CCC[C@](O)(CN(C)C)CC1 72134740 ZGGHFTFTXBKKGX-LJQANCHMSA-N 368.543 2.704 0 50 FFAA O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 172761464 QFAYIUPEFXLMTB-CQSZACIVSA-N 356.451 2.906 0 50 FFAA COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3c(C)cnn3C)c2)cn1 375651970 JGYJCFYWZKKLQX-UHFFFAOYSA-N 372.450 2.908 0 50 FFAA CSc1ncc(CNC(=O)CN2CCC(c3ccccc3)CC2)n1C 219221073 FGBHPTXNWVKESU-UHFFFAOYSA-N 358.511 2.638 0 50 FFAA Cn1cc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 72126435 PQMVXCQBTVAUBE-PWIZWCRZSA-N 358.436 2.761 0 50 FFAA COc1c(C)ccc(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)c1C 454429144 CIUXFZLHNBPPLG-CQSZACIVSA-N 354.472 2.743 0 50 FFAA Cc1n[nH]c(SCCNC(=O)c2ccc(N3CCCC3)c(Cl)c2)n1 222780009 OZYIFCWBPZODMQ-UHFFFAOYSA-N 365.890 2.889 0 50 FFAA CCNC(=O)C[C@@H]1CCCCN1Cc1noc(-c2ccc(F)cc2F)n1 284874610 SQVBRTKLVPVZIV-ZDUSSCGKSA-N 364.396 2.896 0 50 FFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCCc1ccccc1 49548776 PITJIYIIAXTTTP-UHFFFAOYSA-N 367.836 2.923 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 329959208 QLXHCQUHCLPIAN-QRWLVFNGSA-N 368.433 2.988 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cs1 222431324 ABMFKWYTVBVQHX-UHFFFAOYSA-N 367.496 2.592 0 50 FFAA Cc1cccc(C(=O)NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)c1 82109573 JWOTUYQCVJEZJB-UHFFFAOYSA-N 366.465 2.654 0 50 FFAA O=C(c1onc2c1CCCC2)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 426518303 KEVNUEQKKUSROV-DZGCQCFKSA-N 372.494 2.747 0 50 FFAA O=C(CC[C@@H]1CCOC1)N1CCN(CCOc2ccccc2Cl)CC1 176608141 KKKDNRPCQSKOBK-MRXNPFEDSA-N 366.889 2.680 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)CCC(=O)c2ccccc2)CC1 223400968 DFZDZZWJVZCZFQ-FQEVSTJZSA-N 371.525 2.668 0 50 FFAA CCN(Cc1noc(C2CC2)n1)C(=O)N[C@@H](C(=O)O)c1cccc(C)c1 426689346 WWMZGUPLNYJAQQ-OAHLLOKOSA-N 358.398 2.613 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(O)C3)nc(C)n2)n1 222843130 WMYLGFVWVQMPCG-UHFFFAOYSA-N 367.375 2.795 0 50 FFAA Cn1cncc1CNC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 292016369 OTPPQEHHQQQDCH-CYBMUJFWSA-N 359.499 2.845 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)CN(C)Cc2ccncc2)C1 92061634 PCUXWBUUWBDPCH-FQEVSTJZSA-N 359.470 2.563 0 50 FFAA Cc1c(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cnn1C 91745774 KQEXSIRYRGVBEM-UHFFFAOYSA-N 367.497 2.528 0 50 FFAA CC(C)c1nc(CCNC(=O)CCc2nc3ccccc3[nH]c2=O)cs1 91808779 JABALRZCSUZQCT-UHFFFAOYSA-N 370.478 2.795 0 50 FFAA Cc1cc(N2CCC(N3CCC[C@H](O)CC3)CC2)nc(N2CCCCC2)n1 95529526 HLBUBSDILSOURM-IBGZPJMESA-N 373.545 2.591 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCC[C@@](O)(CN(C)C)CC3)c2c1 92038607 YENGSSIRLZLNSR-QFIPXVFZSA-N 371.525 2.941 0 50 FFAA COc1cc(Cl)c(CN2CCc3[nH]nc(CO)c3C2)c(Cl)c1OC 97632107 JOHZWTCLIMBWAC-UHFFFAOYSA-N 372.252 2.784 0 50 FFAA CCNc1ccnc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 92001640 OYPUDAXUTLQSNT-QGZVFWFLSA-N 363.469 2.932 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](c2nccn2CC2CCC2)C1 95391588 XXSZHJPTSHLGCJ-INIZCTEOSA-N 364.453 2.974 0 50 FFAA Cc1c(NC(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)cccc1N(C)C 180148698 JUFBPPGCPDYMPJ-HNNXBMFYSA-N 360.502 2.778 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c(F)c1F 916405280 ZZCRZLCFBOFVJV-LURJTMIESA-N 371.287 2.715 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)Cn1c(=O)ccc2ccccc21 95526631 RFMDIFDLVOFATQ-UHFFFAOYSA-N 368.408 2.816 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cs1 91966657 JQYTWVIBQJSKHB-WMLDXEAASA-N 355.463 2.828 0 50 FFAA CCOc1cc(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)on1 294826475 DTGGPOFCJRODMQ-AWEZNQCLSA-N 354.366 2.705 0 50 FFAA CC(=O)NC(C)(C)c1noc([C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 182163645 MHOMLNHKDLXSAE-QMMMGPOBSA-N 373.379 2.968 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnn(Cc2ccccc2)c1 299747326 CQIBXOUGERWXMQ-IBGZPJMESA-N 361.401 2.583 0 50 FFAA CNC[C@@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739475 OVZZVNDYSYWHQY-LBPRGKRZSA-N 373.266 2.815 0 50 FFAA CCCN(C/C=C/c1ccccc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 670461015 SBMFWMOQRNJGLG-HKMNZKMDSA-N 350.484 2.699 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)Nc3cc(C(C)C)on3)CC2)n1 269177268 YTKIJLNMDXVYDG-UHFFFAOYSA-N 374.445 2.731 0 50 FFAA O=C(COCc1ccccc1Cl)N1CCN(c2cc(C3CC3)n[nH]2)CC1 186217956 HIBKMIYGMKUZLO-UHFFFAOYSA-N 374.872 2.806 0 50 FFAA CNC[C@@H]1CCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170048544 LARDVJAOYVEAAL-LBPRGKRZSA-N 354.332 2.579 0 50 FFAA COc1ccc(Cl)cc1NCC(=O)N1CC(=O)N(C)[C@@H]1c1ccccc1 170606166 TTYMPRUKADXEBC-IBGZPJMESA-N 373.840 2.760 0 50 FFAA O=C(CN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F)NC1CCCC1 280270808 CYTDTKSYWIHNMV-BBRMVZONSA-N 356.388 2.872 0 50 FFAA O=C1C[C@@H](C(=O)N2CCn3c2nc2ccccc23)c2ccc(F)cc2N1 193802228 VALUYHBQZUWXGI-CYBMUJFWSA-N 350.353 2.648 0 50 FFAA Cc1cc(=O)cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)o1 1506430943 ZYIUIYHYZGRCQG-SFHVURJKSA-N 357.406 2.648 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]12 1704339633 UFPYBHYVMKKMFC-NVXWUHKLSA-N 356.388 2.624 0 50 FFAA Cc1cccnc1CN(C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O 12318458 KUNPELAUNUFBLJ-OAQYLSRUSA-N 359.514 2.756 0 50 FFAA O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(Cc2ccco2)CC1 16604587 RBCFMPXXWSVUCK-UHFFFAOYSA-N 360.282 2.933 0 50 FFAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669064 CRLDQUUCDPUDAN-YCRPNKLZSA-N 354.450 2.518 0 50 FFAA COCCN1C[C@H](Cn2ccnc2-c2cccc3ncccc23)CC1=O 1857682128 ITEWQSMZYCQDKU-OAHLLOKOSA-N 350.422 2.593 0 50 FFAA Cc1cnc([C@H](C)NC(=O)c2cc3c(s2)CCOC32CCN(C)CC2)[nH]1 1857686855 FQJBHRXRIQJTCI-ZDUSSCGKSA-N 374.510 2.764 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@H]2CN(C)C(=O)CO2)s1 1857688079 SGNLCSOXFGLMND-AWEZNQCLSA-N 368.462 2.839 0 50 FFAA COC[C@](C)(NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)O 237153985 AENVSXDESCKWHX-HNNXBMFYSA-N 354.815 2.683 0 50 FFAA COc1cccc(CC(=O)Nc2cc(C)cc(N3CCN(C)CC3)c2)c1 242047993 VRVMGHKKCPTHGG-UHFFFAOYSA-N 353.466 2.937 0 50 FFAA C[C@H](Cc1ccc(F)cc1)N1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 14994363 YBLODXZKNXDJLN-CQSZACIVSA-N 371.460 2.578 0 50 FFAA CCc1nc([C@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cs1 153073331 RUKOUEHSKBNLDE-UONOGXRCSA-N 374.514 2.867 0 50 FFAA Cc1c(C(=O)NC2(c3noc([C@H]4CCOC4)n3)CCCCCC2)cnn1C 155928155 JIBRFBWNAGYCBC-AWEZNQCLSA-N 373.457 2.595 0 50 FFAA Cc1cc([C@@H](N)CC(=O)NC[C@H](O)c2ccccc2Cl)cc(Cl)n1 830263227 DRJCVCYLWQPAJX-GJZGRUSLSA-N 368.264 2.937 0 50 FFAA CC(C(=O)N[C@@H]1CCC[C@@H]1Cn1cc(C2(O)CCC2)nn1)=C1CCCC1 952890298 WTIISZVJBGNXMP-IAGOWNOFSA-N 358.486 2.825 0 50 FFAA CN(C[C@@H](O)CN1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1)C1CC1 952891147 BEVLALQFWSVKTF-HXUWFJFHSA-N 368.525 2.712 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 1875373497 CRLNBBHEKJBVJI-GOSISDBHSA-N 350.422 2.741 0 50 FFAA COc1ccc2nc(O)c(CN3CCC([C@]4(C)COC(=O)N4)CC3)cc2c1 1875306081 RUSCYYTZBUAXHQ-FQEVSTJZSA-N 371.437 2.660 0 50 FFAA CN1C(=O)CC[C@H](CNC2CC(c3ccccc3)C2)[C@H]1c1cnn(C)c1 886082040 XYICZQVOQLZCKU-OHPVBQACSA-N 352.482 2.865 0 50 FFAA O=C(NCC1(CO)CCOCC1)c1ccc(Cl)cc1Br 151647692 SGJKBUAAICQKEB-UHFFFAOYSA-N 362.651 2.621 0 50 FFAA O=C(N[C@H]1CCCn2ncnc21)c1ccc(Cl)cc1Br 268521384 UUJSOLZLUYLFBM-NSHDSACASA-N 355.623 2.959 0 50 FFAA O=C1Nc2ccccc2C(C2CCCC2)=N[C@H]1C[C@@H]1CCS(=O)(=O)C1 2325771684 FSKYXGKWQQJWCU-GUYCJALGSA-N 360.479 2.811 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)CCc3ccsc3)C2)n[nH]1 2325842783 ILHJLFDIFPIVFE-AWEZNQCLSA-N 360.483 2.558 0 50 FFAA C=Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3cnc(C)[nH]3)C[C@@H]2C)cc1 2325870336 SWNJNRMADVAOEE-KBPBESRZSA-N 352.438 2.736 0 50 FFAA C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 638535 XPSURYOKYPYZII-VIFPVBQESA-N 356.806 2.618 0 50 FFAA O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 755102 SVKNRJMJUHNEQL-UHFFFAOYSA-N 359.341 2.840 0 50 FFAA CSc1nsc(SCC(=O)N2CCN(c3ccccc3)CC2)n1 1079012 QGTDFRMGYLGIDC-UHFFFAOYSA-N 366.537 2.701 0 50 FFAA CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(N)=S)cc21 1763053 HQPKBXWDVBRLNE-UHFFFAOYSA-N 354.479 2.667 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)Cc2ccccc2F)C1=O 2356147879 VIHRFJZRCBMHTH-GOSISDBHSA-N 368.474 2.523 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356156297 VBXJDORKHCRVDG-FQEVSTJZSA-N 352.438 2.516 0 50 FFAA Oc1nc(-c2cccnc2)nc2c1CCC21CCN(C[C@H]2CCOC2)CC1 2356165489 BHSGMFYVLZAYGH-OAHLLOKOSA-N 366.465 2.561 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(I)cc1 4610422 CNBCFMDYNFYBIT-NEPJUHHUSA-N 371.174 2.897 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3cn4ccsc4n3)[C@H](C)C2=O)c1 55042636 JUNMYMPQOCLUQW-CQSZACIVSA-N 368.462 2.577 0 50 FFAA CCOc1cc(-c2nnn(CC(=O)Nc3ccccc3C)n2)ccc1OC 10337785 QLJOADKWFWYEMA-UHFFFAOYSA-N 367.409 2.695 0 50 FFAA O=C(Nc1nccs1)C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 55309094 LHXLNMQHDPYBFG-AWEZNQCLSA-N 359.451 2.801 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O)c1ccc2c(c1)OCCO2 408461834 BIAWUGOLYPUACO-ZACQAIPSSA-N 359.466 2.887 0 50 FFAA CNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccccc3F)C2)C1(C)C 1074563346 MZTIDXPWIOXXTA-VBKZILBWSA-N 362.445 2.604 0 50 FFAA OCC[C@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1 20448947 KLJBEJXQBJEMRW-INIZCTEOSA-N 356.495 2.693 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](NC[C@H](O)c2ccccc2)C1 252487004 RFXNQOSKFKQADW-HLIPFELVSA-N 364.445 2.917 0 50 FFAA CS(=O)(=O)c1ccc2ncnc(N[C@@H]3CCN(c4ccccc4)C3)c2c1 252487935 IFBZFJGINMGJOR-CQSZACIVSA-N 368.462 2.724 0 50 FFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@H](OCCO)C1 172048429 WNSDCGPHJQXQFH-HNNXBMFYSA-N 361.467 2.739 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2 218914727 IXAYBMHEFPUCMY-INIZCTEOSA-N 373.844 2.674 0 50 FFAA CCCn1nccc1C(=O)N[C@H]1CCCN(Cc2cccc(OC)c2)C1 72433802 KHRBNJWMGFIRHX-KRWDZBQOSA-N 356.470 2.696 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1cc(C)nc3onc(C)c13)C2 215413562 PXGXIAAJNFLILO-CYBMUJFWSA-N 367.405 2.829 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2cc(-n3ccc(C)n3)ncn2)c1 72115464 XOEUNEPPNXCKSX-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cc1nc2c(c(S(=O)(=O)N3CCC(C)CC3)nn2C)c(C)c1Cl 6668335 CTZFLUGYUHYAGV-UHFFFAOYSA-N 356.879 2.659 0 50 FFAA CCCc1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)no1 72127332 ZAEGCEZRZZVFSK-SFHVURJKSA-N 353.466 2.942 0 50 FFAA O=C(c1cnn2cccnc12)N1CCC[C@@H](COc2ccc(F)cc2)C1 77321002 XREUVGWLRDHEMM-CQSZACIVSA-N 354.385 2.800 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)Cn2ccc3ccccc32)o1 328613990 UUNHYNSEMVSYHT-INIZCTEOSA-N 354.410 2.748 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2cc(C)nc3ccccc23)CC1 328607298 VICXGFSPGFLDGJ-SFHVURJKSA-N 369.465 2.831 0 50 FFAA O=C(c1cnc2n(c1=O)CCS2)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 376075438 WRDQJXRRFZXUNN-DJIMGWMZSA-N 367.474 2.757 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc(F)c(F)c(O)c2F)C1 364014650 OTQSJPAOGKIHIY-SNVBAGLBSA-N 370.327 2.846 0 50 FFAA C[C@@H]([C@@H](C)NC(=O)NCc1cccc(-c2cccnc2)c1)N1CCOCC1 363821657 NRRUQMMSXOUHOV-SJORKVTESA-N 368.481 2.657 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)N1CCO[C@@H](c2cccs2)C1 363871846 IEVXDRIZZIWJGQ-OAHLLOKOSA-N 369.450 2.612 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)CCn2c(C)nc3ccccc32)c1 129916416 QEVLZTBHBVRYNB-UHFFFAOYSA-N 361.409 2.658 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H](CO)Cc3ccco3)cc2)n1 72411596 XLPPQIAFUVADAU-GOSISDBHSA-N 367.449 2.722 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1 173348225 USZAWQOBVAQHEU-ZDUSSCGKSA-N 364.405 2.842 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 72478141 LFVMDTZMSFAUFV-QGZVFWFLSA-N 359.518 2.697 0 50 FFAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CNC(N)=O)cc12 71749288 HQZPJTPZEVXVIE-UHFFFAOYSA-N 354.385 2.567 0 50 FFAA O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 77134090 PWBSQTCVZBPEII-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA CCn1c(CN2CCN(CCC(C)C)[C@H](CCO)C2)nc2ccccc21 76915979 KIZJTCXRQASHCF-GOSISDBHSA-N 358.530 2.971 0 50 FFAA O=C(c1ccco1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72458663 HKXBRDCWOADYRZ-ZWKOTPCHSA-N 352.434 2.975 0 50 FFAA O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCc1nc2ccccc2o1 223097624 FUOLBBCHUNNAPU-KRWDZBQOSA-N 365.433 2.735 0 50 FFAA C[C@@H]1COc2ccccc2N1C(=O)CCn1c(=O)n(C)c2ccccc21 175354230 YZJZALDWEOAQCP-CQSZACIVSA-N 351.406 2.544 0 50 FFAA Cc1cccc2[nH]cc(CCNC(=O)[C@H]3COCCN3CC3CCC3)c12 496032138 HIXCGQVEEBSLIN-LJQANCHMSA-N 355.482 2.636 0 50 FFAA CC(C)OCCN1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 176686908 WIXXCULPNAIIRE-UHFFFAOYSA-N 374.510 2.824 0 50 FFAA O=C(CCc1ncc[nH]1)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 288392511 MFXYVRLLLMQWJC-RBUKOAKNSA-N 352.482 2.855 0 50 FFAA CO[C@@H]1C[C@H](NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C12CCC2 459527531 MRPVOUHSGQCODT-UONOGXRCSA-N 372.874 2.823 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772450 KJYIVXDPWBUJBQ-LJNSFSJGSA-N 368.470 2.978 0 50 FFAA in-vitro COc1cc(C)c(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)cc1C 426517779 FJVASIFETVSLOH-INIZCTEOSA-N 357.454 2.973 0 50 FFAA Cc1c(C(=O)N[C@H](CC(C)C)c2nnc3ccccn23)cnc2ccnn12 223219830 AQSJIRLGYMKSEN-OAHLLOKOSA-N 363.425 2.598 0 50 FFAA CCCc1cnc(C)nc1-c1ccc(C(=O)NCCc2nncn2C)cc1 426711480 PLDPRJMPQIDFTP-UHFFFAOYSA-N 364.453 2.506 0 50 FFAA O=C(O)CCCNC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 426573051 JXEKGJQAOJSMGQ-UHFFFAOYSA-N 374.359 2.563 0 50 FFAA Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 195403796 LPCKYGOUPHLYKM-DEGRCIOYSA-N 365.429 2.652 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 82106316 IQGWGJLGKXDFKJ-GFCCVEGCSA-N 362.861 2.579 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1c[nH]cn1 82116010 LAYVMHJPPFFEMU-NRFANRHFSA-N 370.472 2.996 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1Cc1cccc(OCCO)c1 82134550 NUBILQJKOVEISW-OAHLLOKOSA-N 374.868 2.948 0 50 FFAA CCn1cc(CN(CCOC)C(=O)N[C@@H](C)c2nc(C)sc2C)cn1 426411460 OEBXYWVCXLGHCK-LBPRGKRZSA-N 365.503 2.896 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)c2onc3c2CCCC3)C[C@@H]1C 426406021 CBMJTLBIPAKBAI-AWEZNQCLSA-N 353.422 2.739 0 50 FFAA Cn1c(=O)oc2cc(NC(=O)NCc3nncn3C3CCCCC3)ccc21 96130314 DCPLJCSGJDNUKF-UHFFFAOYSA-N 370.413 2.550 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)Nc2cccc3nsnc23)CC1 96166715 NDXOCBOACCFPCJ-UHFFFAOYSA-N 368.466 2.744 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 92002140 AFGFCDLUBKYIBZ-IBGZPJMESA-N 357.542 2.720 0 50 FFAA O=C(NC[C@H](O)Cc1ccccc1)NC1(CN2CCCC2)CCCCC1 426740573 QLFGEKJADHDINH-LJQANCHMSA-N 359.514 2.688 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)NCCCSCc2ccccc2)C1 97694875 LMSKVUSCQMDKBW-KRWDZBQOSA-N 363.527 2.820 0 50 FFAA CCCN1CCC(CCNC(=O)N(C)Cc2ccc3nonc3c2)CC1 426690539 GIKVAVLYGOMQHT-UHFFFAOYSA-N 359.474 2.876 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(c3ccc(Cl)cn3)CC2)n1C 91893970 IJYQAEQZJSNPBX-UHFFFAOYSA-N 371.876 2.801 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CCC2(C)CC2)CC1 91434600 WXUALMBVNYURKX-UHFFFAOYSA-N 370.501 2.829 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2=Cc3ccccc3OC=C2)on1 96180859 YVMFKHOBBPMJOM-AEFFLSMTSA-N 352.390 2.646 0 50 FFAA Cc1c(CNC(=O)[C@@H](c2cccnc2)N2CCOCC2)oc2ccccc12 95525040 KSZVVEQHIKXWNQ-HXUWFJFHSA-N 365.433 2.826 0 50 FFAA CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2 91908479 ULTODYBZZBZMLC-CXAGYDPISA-N 352.438 2.780 0 50 FFAA Cc1cccn2c(CC(=O)N[C@H](C)c3cnn(-c4ccccn4)c3C)cnc12 92002965 CLCJKLIMBNLSEH-OAHLLOKOSA-N 374.448 2.952 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@H](CNC(=O)c2c(F)cccc2Cl)C1 239761775 CKLQSLABJJEFMB-MJVIPROJSA-N 371.836 2.938 0 50 FFAA Cc1cnc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)cn1 91365100 PXDJRWKWLQIBCM-HXUWFJFHSA-N 353.422 2.885 0 50 FFAA O=C(c1cn2cccnc2n1)N(Cc1ccncc1)C[C@@H](O)c1ccccc1 97307650 HJPKCMLIHDAOTM-LJQANCHMSA-N 373.416 2.500 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@H](C(=O)O)C2CCCCC2)cc1 240228143 KGQXSAUALZCGMK-QGZVFWFLSA-N 371.437 2.983 0 50 FFAA COCCN(C(=O)[C@H]1CCCCN1Cc1ccccc1)C1CCN(C)CC1 252505456 VRPJLWLPGQTWAU-OAQYLSRUSA-N 373.541 2.610 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCN(c2cccc(Cl)c2)C1 184404404 NLVPGPNKTOQPTI-ZDUSSCGKSA-N 356.817 2.783 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)sc1Cl 267528276 JHOPAFRDIQDUFK-SSDOTTSWSA-N 367.283 2.768 0 50 FFAA O=C(CCN1Cc2ccccc2C1)NCc1csc(-c2ncccn2)n1 252486449 HLJBPBUTZZXXMB-UHFFFAOYSA-N 365.462 2.622 0 50 FFAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 253612043 WKFXHNDWEHDGQD-IIGTUCHFSA-N 350.499 2.681 0 50 FFAA CN(C)c1ccc(C(=O)NC[C@H]2Cc3cccc(-c4cnccn4)c3O2)cc1 299762816 BIIWXTILTTWTQV-GOSISDBHSA-N 374.444 2.943 0 50 FFAA Cn1c(CNC(=O)[C@@H]2CCC[C@H](N)C2)nc2cc(C(F)(F)F)ccc21 299776229 MGSPTWBRZIZWQV-PWSUYJOCSA-N 354.376 2.726 0 50 FFAA Cc1ccc(CN2CCOC3(CCN(C(=O)c4oc(C)nc4C)CC3)C2)o1 825198026 LYDBMFAOEVOWKX-UHFFFAOYSA-N 373.453 2.700 0 50 FFAA Cc1c(F)cccc1CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1 1565516854 IGADJMOJEYEDKS-RXVVDRJESA-N 360.473 2.720 0 50 FFAA COCCc1ccc(Oc2ccc(NS(=O)(=O)N(C)C)cc2)cc1 170640752 CBKHQNALBLABKS-UHFFFAOYSA-N 350.440 2.886 0 50 FFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCC[C@H]1CCO 170601409 CMADEFGWJNJSLR-YJBOKZPZSA-N 356.422 2.920 0 50 FFAA COC(=O)N1CCC([C@H](C)NC(=O)c2cnc(-c3ccco3)s2)CC1 187439522 SISRTWDNZNPXKP-NSHDSACASA-N 363.439 3.000 0 50 FFAA CCCC[C@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@@H](C(C)C)O1 1615940956 KZPSJKGNMNUQKR-YJBOKZPZSA-N 371.481 2.989 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2ccc(-n3ccnc3)cc2)CC1 1506405068 HUDJOQUQMFEVML-UHFFFAOYSA-N 350.426 2.588 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1529186424 YSQHOADLUJHHIE-KDOFPFPSSA-N 360.458 2.653 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc4ccccc4n3C(C)C)C[C@H]2O)on1 1529145770 GZDDWQBXDAPSKY-DNVCBOLYSA-N 354.454 2.949 0 50 FFAA COc1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc(N)n1 1704309244 OOFQKNRLPANYIY-UHFFFAOYSA-N 365.437 2.617 0 50 FFAA CC(C)(C)[C@H](N)C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704340197 XDDGYBDBYJWFLZ-QGZVFWFLSA-N 355.482 2.932 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 11838393 IUBYARNQJHQXDO-QGZVFWFLSA-N 361.530 2.548 0 50 FFAA CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2c(Cl)cnn2C)cn1 12159799 JZJVKJNAEOYTGS-CQSZACIVSA-N 371.894 2.596 0 50 FFAA CSc1nnc(CNC(=O)c2csc(C)n2)n1Cc1ccccc1 12218374 DTEKWQYAIKMORX-UHFFFAOYSA-N 359.480 2.743 0 50 FFAA COc1cccc(OCc2cc(C(=O)N[C@@H](C)c3c(C)n[nH]c3C)n[nH]2)c1 12317575 LZYILOHBUOFPRD-NSHDSACASA-N 369.425 2.828 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12448796 RXMHEMSLGDFXKX-INIZCTEOSA-N 371.437 2.708 0 50 FFAA CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 14832835 ANVAMFNPTVEEBV-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(N3CCN(C)CC3)c12 14998432 HDCHQOFCTASUPO-UHFFFAOYSA-N 361.515 2.527 0 50 FFAA CC(C)N1C[C@@H](CNC(=O)Cc2csc(-c3ccccc3)n2)CC1=O 19810015 STOXDCCZWRSHDF-CQSZACIVSA-N 357.479 2.726 0 50 FFAA CC[C@@]1(C(=O)N2CCN(c3nsc4ccccc34)CC2)C[C@@H]2CC[C@H]1N2 1857667380 MGFWUJVMHYWIKN-JNAXZKDPSA-N 370.522 2.866 0 50 FFAA COc1cccc(-c2ncc(CN3CCO[C@@H]4C[C@H](CO)C[C@@H]43)s2)c1 1857718743 QXSUULVDEYIDCE-JEBQAFNWSA-N 360.479 2.790 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2ccnc(N(C)C)c2)[C@@H]1c1cnn(C)c1 328651008 VSWMRBSIGLEWSP-GHTZIAJQSA-N 370.545 2.786 0 50 FFAA COc1ccc(C[C@H](C)CNC(=O)c2cnc3n[nH]c(C)c3c2)cc1OC 124945745 QGGMFYDKRXFPBW-LBPRGKRZSA-N 368.437 2.892 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCOc1ccccc1 247798016 DLWZLYJVVDEHQF-AEFFLSMTSA-N 356.466 2.705 0 50 FFAA COc1cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)ccc1Cl 263068791 REWKKJJMVRWWPN-CYBMUJFWSA-N 351.708 2.828 0 50 FFAA Cc1cncc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)c1 499289842 GRGDVMFFAWQLBD-SFHVURJKSA-N 357.841 2.676 0 50 FFAA CO[C@@H]1C[C@H](CNc2ccnc(C(F)(F)F)c2)N(c2ccncn2)C1 952886670 FBSIUFGSPFIEGU-CHWSQXEVSA-N 353.348 2.596 0 50 FFAA CC(C)(C)Cn1ccc(=NC(=O)N=c2ccn(Cc3ccccc3)[nH]2)[nH]1 1875361813 CSHGTVSOCPFWRY-UHFFFAOYSA-N 352.442 2.662 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@]2(CCCN2)C1)c1ccn(C2CCCC2)n1 1875394012 YDAJTDGBTAEVNN-MZNJEOGPSA-N 350.488 2.522 0 50 FFAA C=CC(=O)NC[C@@H]1CN(C(=O)CCCc2cc(C)sc2C)CCCO1 1875383984 IOJSSHJCDXPPDJ-QGZVFWFLSA-N 364.511 2.607 0 50 FFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cccc(Oc2ccccn2)c1 1875400223 UMVRBJMSGUEFDK-DFQSSKMNSA-N 364.449 3.000 0 50 FFAA CCn1nccc1C1CCN(C[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 886088538 YYQOFOYAQOJQMP-FXAWDEMLSA-N 357.502 2.984 0 50 FFAA O=C(NC[C@@]12CCCN[C@H]1C2)N1CCc2sc(Br)cc2C1 2325766232 DLQOUTNVBHJBFJ-WFASDCNBSA-N 370.316 2.720 0 50 FFAA Cn1ccnc1[C@H]1CCCCN1C(=O)CCc1ccc2c(n1)NCCC2 2325787714 RIKRHKICHBMIIM-QGZVFWFLSA-N 353.470 2.860 0 50 FFAA Cn1ncc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)n1 2325841241 KNNPVWKYHIZOOR-UHFFFAOYSA-N 353.451 2.999 0 50 FFAA CN(CCO)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 846119 MGWNPYXVQCNQPV-UHFFFAOYSA-N 358.463 2.944 0 50 FFAA Cc1nc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c2[nH]ccc2n1 2356146173 VNBUDQFGEBWGAP-FQEVSTJZSA-N 363.469 2.607 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 2836346 FPJALHGJEFEVAQ-UHFFFAOYSA-N 370.833 2.879 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1F 2989255 BFZDDYUQGDOPSW-UHFFFAOYSA-N 372.381 2.669 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@H](NC(C)=O)C3)ncnc21 2356169072 UHNKAQSGDJJXTM-OAHLLOKOSA-N 358.490 2.540 0 50 FFAA Cn1ncc(Cl)c1C(=O)NCc1cccnc1-n1cnc2ccccc21 67435015 CWCFOZJMGDQURQ-UHFFFAOYSA-N 366.812 2.737 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@H](N1CC(OCc3ccccc3C)C1)C2 67770618 QVVNYIYIBSDKQC-INIZCTEOSA-N 369.465 2.668 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2)ncn1 67601783 NPWSEFNNCUFPMW-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CCn1c([C@H]2CCCN(Cc3cccc4cccnc34)C2)nn(C)c1=O 67674278 SQIKMHPFEAQKMC-KRWDZBQOSA-N 351.454 2.530 0 50 FFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(NCC3CCOCC3)nc2)C1 67866799 COSTWBNAIFNUKL-GOSISDBHSA-N 374.529 2.628 0 50 FFAA O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F 120480463 FJEDDPMTHGFDEW-QWRGUYRKSA-N 357.781 2.941 0 50 FFAA CCCc1noc2nc(C3CC3)cc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c12 171713465 DZWWSOYRKAZWJO-KRWDZBQOSA-N 370.453 2.649 0 50 FFAA Cc1ccc(-c2nc(C(=O)N3c4ccccc4C[C@H]3C(N)=O)cs2)n1C 121758470 FXGXLIKHVPBDSH-INIZCTEOSA-N 366.446 2.514 0 50 FFAA Cc1ccc(-c2noc([C@H](C)N3CCC(c4nc(=O)[nH][nH]4)CC3)n2)cc1F 252495192 ONBOAAQYZZNZHF-NSHDSACASA-N 372.404 2.536 0 50 FFAA COc1cccc(C2(NC(=O)c3cccc4c3O[C@H](C)C(=O)N4)CC2)c1 122606091 JGXFTEKKWVPIPE-GFCCVEGCSA-N 352.390 2.834 0 50 FFAA CC(C)n1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1 11879277 DBGQIJUHGJEXBZ-OAHLLOKOSA-N 360.845 2.648 0 50 FFAA COc1ccccc1/C=C(/C(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1 328595274 PTXWLLSDBYLQOC-UMEYKSNOSA-N 367.401 2.548 0 50 FFAA Cn1c([C@H]2CCCN2Cc2cc(=O)n3ccccc3n2)nc2c1CCCC2 328626820 FLMAOZSISCETRF-GOSISDBHSA-N 363.465 2.644 0 50 FFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C1=O 281502001 FMYZDJXCQGQBRA-KRWDZBQOSA-N 352.438 2.613 0 50 FFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)cn1 328645633 SEHYZLJNHWJFDF-FUHWJXTLSA-N 360.502 2.900 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCCN(c3ccccc3C)CC2)cc1 77458856 YWQFYBTVBAUPPG-HXUWFJFHSA-N 354.450 2.776 0 50 FFAA C[C@@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)c1cnn(C)c1 11948534 WCYGNMKLDULAFZ-SNVBAGLBSA-N 362.336 2.756 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)COC(C)C)[C@@H]2C3CCN(CC3)[C@H]12 72121711 JUTDEUIVRAEJCT-DUXKGJEZSA-N 358.482 2.509 0 50 FFAA CC(C)Oc1cncc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2F)c1 124581286 HKTFNLKSHCMSFQ-UHFFFAOYSA-N 372.805 2.780 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccc(-n2cccn2)cc1 72477037 ADJIHZOXSHSCKL-LJQANCHMSA-N 365.433 2.579 0 50 FFAA Cc1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 172772735 QUMJAQJZNSENSY-MRXNPFEDSA-N 357.454 2.648 0 50 FFAA Nc1nccc(C2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)n1 218896788 MDROYPOCUSDHET-UHFFFAOYSA-N 370.840 2.894 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc(F)cc3nc[nH]c23)C1 368414223 ZPLMRBOEPCMWPC-CYBMUJFWSA-N 358.373 2.738 0 50 FFAA O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCOC[C@H]1[C@@H]1CCCO1 376248755 FPNGPEYKNAFXQR-IRXDYDNUSA-N 366.408 2.586 0 50 FFAA O=S1(=O)C[C@@H](O)[C@H](n2ccnc2-c2cccc3c2oc2ccccc23)C1 71760148 RHUSHKCFAADFLI-HZPDHXFCSA-N 368.414 2.780 0 50 FFAA CCn1cc(CN2C[C@@H](NC(=O)C3CC3)[C@H](c3ccc(C)cc3)C2)cn1 77539036 ALFRLESZLWJMCO-VQTJNVASSA-N 352.482 2.706 0 50 FFAA Cc1cncnc1C1CCN(Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 216416837 NAGKACNPLWONFV-SFHVURJKSA-N 368.485 2.546 0 50 FFAA Cc1nc(-c2cccc(NC(=O)N[C@H]3c4ccccc4C[C@H]3O)c2)no1 158459419 SDJPJWKGXCATAG-SJORKVTESA-N 350.378 2.825 0 50 FFAA COCCCN(C)Cc1cc2cc(C)ccc2nc1N1CCC[C@H](O)C1 72422524 OTHKXKJOVFGTLR-IBGZPJMESA-N 357.498 2.973 0 50 FFAA CCN1CCCC[C@H]1C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1 82137673 PFIQGTVIRCMPRT-SFHVURJKSA-N 359.514 2.997 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)NCc1csc(-c2cnccn2)n1 222743370 FQPUONVWXDHIJC-UHFFFAOYSA-N 364.434 2.725 0 50 FFAA CCOc1ccccc1CN(C(=O)Cc1c(C)[nH]c(C)nc1=O)C1CC1 198181008 MDVYYEJFLUIKFY-UHFFFAOYSA-N 355.438 2.519 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@@H](OCc3ccccn3)C1)CCC2 82138850 VHZXBGFWBBOLNZ-QGZVFWFLSA-N 367.449 2.795 0 50 FFAA CO[C@@H](C)c1nc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)cs1 287747956 ZBVFNGHTVYMUQN-JTQLQIEISA-N 360.439 2.524 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc2c(c1)OCCO2 40288013 KRSRTKILGZPTJV-UHFFFAOYSA-N 366.348 2.704 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2nc(C)cc(C)n2)CC1 82099936 JXCKWACBFHLRFK-UHFFFAOYSA-N 369.517 2.685 0 50 FFAA O=C(NC1Cc2ccccc2C1)N(Cc1ccncc1)C[C@H]1CCCO1 426627701 METVMTGKBSEXHS-HXUWFJFHSA-N 351.450 2.940 0 50 FFAA Nc1nc([C@H]2CCOC2)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1 426465059 BNASMNPLBURPTQ-ZDUSSCGKSA-N 374.872 2.704 0 50 FFAA O=C(O)c1cc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)ccc1O 426488534 ZUUBSUYAXREZIQ-KRWDZBQOSA-N 366.417 2.678 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)N(CCO)Cc1ccccc1Cl 426656930 KACJJTOSRWTMBM-UHFFFAOYSA-N 364.877 2.817 0 50 FFAA C[C@@H](C(=O)NCc1ccc(OCC2CC2)nc1)N1CCc2ccccc21 194983298 IRBJQUAZOAIXLH-HNNXBMFYSA-N 351.450 2.938 0 50 FFAA CCc1oc2c(NC(=O)NCCNc3nc(C)cc(O)n3)cccc2c1C 426503941 DZLIOGZKABTCLV-UHFFFAOYSA-N 369.425 3.341 0 50 FFAA O=C(c1cn(Cc2ccccn2)nn1)N1C[C@H]2CCCCN2c2ccccc21 294456391 WCJKQOPRPRQEOW-QGZVFWFLSA-N 374.448 2.741 0 50 FFAA COc1cc(-c2cccc(C(=O)NC[C@H](C)N3CCOCC3)c2)ccc1O 426628766 NPTODNMWTONUFV-HNNXBMFYSA-N 370.449 2.518 0 50 FFAA CN(Cc1ccc2nccnc2c1)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 91574577 LOBBOQUYDHKULT-OAHLLOKOSA-N 364.380 2.853 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Oc2ccccc2)nc1 96165591 GTRVECZQADVZCS-QGZVFWFLSA-N 370.453 2.842 0 50 FFAA CCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 95531303 OEZZVOMAQCDCFW-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA CCNc1nc(C)c(C(=O)NC[C@H]2COc3c(cccc3OC)C2)s1 95531477 KDPUBMNRNBAVQT-LBPRGKRZSA-N 361.467 2.873 0 50 FFAA Cn1ccnc1SCCNC(=O)C1CCN(C2CCCCC2)CC1 95354628 SAXOWLPCUPBGHA-UHFFFAOYSA-N 350.532 2.673 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CN1 91643678 IXZPJFCEUAAJDB-KRWDZBQOSA-N 356.466 2.554 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2=O)c1 95367642 AUNCVHORRKPAAG-KRWDZBQOSA-N 368.481 2.747 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(OCc2ccccn2)CC1 92037086 LFQPPFJPNHVYRQ-UHFFFAOYSA-N 363.417 2.745 0 50 FFAA COc1ccc(CN2CCC[C@H]2c2cc(C)on2)cc1Cn1cncn1 97243788 YYLJSNSOZJTRDG-SFHVURJKSA-N 353.426 2.969 0 50 FFAA O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(Cl)c2)CC1 91665642 PYGXHRXPRPXBGH-ZDUSSCGKSA-N 362.857 2.721 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1ccc(CN3CCCC3)o1)C2 97527341 AGVZSIOSZJOXBS-HNNXBMFYSA-N 370.449 2.865 0 50 FFAA COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 95357841 SIPVKPQCPHYJKN-IBGZPJMESA-N 370.493 2.810 0 50 FFAA Cc1cc(N2CCC(c3nnc(CN4CCCCCC4)n3C)CC2)ncn1 91656583 YVHYCOLAZCPCPT-UHFFFAOYSA-N 369.517 2.674 0 50 FFAA Cc1cnc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)s1 180414768 BNZFVWOTYCKOES-UHFFFAOYSA-N 365.524 2.575 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccn1C)CC2 91548225 UXZXORHAZFOFIP-UHFFFAOYSA-N 355.486 2.538 0 50 FFAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 182951758 KBTQJMZYDWZCLY-KSSFIOAISA-N 373.478 2.778 0 50 FFAA CN1CCC[C@H]1CCNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1 534585567 JMQJJNGWLXHONQ-FQEVSTJZSA-N 365.477 2.596 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)NCC2(Cn3ccnc3C)CC2)n1 534589963 NSRGFYKQCAMQFB-OAHLLOKOSA-N 358.446 2.600 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)N3CCSCC3)CCCCC2)cc1 299773655 GUSOCSNNWSZJHO-UHFFFAOYSA-N 367.536 2.867 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)C(=O)N2CCCCC2)c2cccnc2)c1 299774287 FWYMXBGMERGELZ-LJQANCHMSA-N 351.450 2.917 0 50 FFAA O=C1CCCCN1Cc1nc(Cc2cccs2)nn1-c1cccnc1 828263757 HDCUVNNLBRPBIW-UHFFFAOYSA-N 353.451 2.827 0 50 FFAA Cc1cccc(N2CCC(NS(=O)(=O)c3ccccc3C(=O)O)CC2)c1 825218664 AYQIBDHEIIKGSB-UHFFFAOYSA-N 374.462 2.641 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)N1CCC[C@@H](c2ccncn2)C1 584890752 SNJHJMRHMBRSRK-CYBMUJFWSA-N 357.483 2.554 0 50 FFAA COc1ccc(C(=O)O)nc1-c1cccc(C(=O)NCC2CCOCC2)c1 584894709 QTYATKYQHYPKGE-UHFFFAOYSA-N 370.405 2.612 0 50 FFAA Cc1cccn2c(CC(=O)N[C@@H](C)c3nc(-c4ccncc4)no3)cnc12 670457627 MXXUFYWVIIVHOS-ZDUSSCGKSA-N 362.393 2.508 0 50 FFAA C[C@H](C(=O)Nc1ccc(-n2nccn2)cc1)n1ccc(C(F)(F)F)n1 1351684053 IYGBTYJZOIAHGG-SNVBAGLBSA-N 350.304 2.682 0 50 FFAA COc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)c(F)c1 1565510505 WENMZYFPXIIEBM-AEFFLSMTSA-N 359.397 2.913 0 50 FFAA CN(C)c1ncc(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1 278570823 BZPIYPDRSLSQGS-GFCCVEGCSA-N 354.380 2.664 0 50 FFAA Nc1nc(SCC(=O)Nc2ccc(Br)cc2Cl)n[nH]1 18222613 TWQULHHZVZIVLH-UHFFFAOYSA-N 362.640 2.534 0 50 FFAA Cc1nc(C)c(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)s1 1615736895 QKRJKCBRWVIVPC-IRXDYDNUSA-N 357.479 2.658 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 1704310742 RXFRIVDGGDPWKD-UHFFFAOYSA-N 369.465 2.668 0 50 FFAA Cc1ncc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)[nH]1 215204048 VENZQSTVHOYGBK-QUCCMNQESA-N 352.482 2.774 0 50 FFAA CSCc1noc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704297959 YVJFUWNDIZAZFA-RHSMWYFYSA-N 370.478 2.516 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1 11879543 VEKSJJALYQCZGS-OAHLLOKOSA-N 361.438 2.768 0 50 FFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)c1 12029965 JSLQBTXMIGQVGN-GOSISDBHSA-N 374.462 2.725 0 50 FFAA Cc1ccc(-n2cc(CN(C)C[C@H](O)CO)c(-c3ccc(F)cc3)n2)cc1 12588043 WZEUFOYUYCDCRG-FQEVSTJZSA-N 369.440 2.772 0 50 FFAA CSCCCNCc1ccccc1OC[C@H](O)CN1CCCCC1 12712054 CMSCDIIQSXQZLA-GOSISDBHSA-N 352.544 2.755 0 50 FFAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)CSC)C2)cc1 12836773 LDZPAIMCAWVJTR-QGZVFWFLSA-N 350.528 2.771 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 15064551 MWRKHVZEBRSNLF-SFHVURJKSA-N 360.454 2.832 0 50 FFAA O=C(NCCCc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 15067122 SGEHBDPACCUSQB-GOSISDBHSA-N 369.440 2.708 0 50 FFAA CCn1cc(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 15076317 AQQXRSAWKMBNRE-IBGZPJMESA-N 367.497 2.672 0 50 FFAA COc1cc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)ccc1F 19787147 JQJZGWWVPNRANV-INIZCTEOSA-N 364.486 2.965 0 50 FFAA O=C(Cn1ccn2nc3c(c2c1=O)CCCCC3)Nc1cc(F)ccc1F 169769461 YYPPNLGTMZJUTK-UHFFFAOYSA-N 372.375 2.682 0 50 FFAA Cc1nc(Cc2ccc(-n3ccnc3-c3cnn4cccnc34)cc2)n[nH]1 1857694542 DNABMJRJVZKUDS-UHFFFAOYSA-N 356.393 2.599 0 50 FFAA Cc1cccc(C)c1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857714567 FGHJAEGMQSAULU-BAYUQKDNSA-N 351.446 2.512 0 50 FFAA CCC(=O)N1CCC(C2CCN(C(=O)CCn3ccnc3CC)CC2)CC1 1857716374 JHLXLMPISRPTNR-UHFFFAOYSA-N 374.529 2.723 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@@H]1CC(=O)N(c2nccs2)C1 1857721669 ANSLKBLCZZYWCA-MRXNPFEDSA-N 355.463 2.691 0 50 FFAA CCn1cnnc1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 246151669 PKTPAXDUVVMOMX-CHWSQXEVSA-N 362.865 2.553 0 50 FFAA Cc1nn(C)cc1CN(C)Cc1ccc(-c2nc(C)c(F)c(O)n2)cc1 23541722 GTQYWJGRGCPNAM-UHFFFAOYSA-N 355.417 2.971 0 50 FFAA CCO[C@@H](C)c1nccn1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 155425415 KENZYAVFNRRRKB-IVKJLDKCSA-N 374.485 2.775 0 50 FFAA CCn1ccnc1CN(Cc1cnn(CC(C)C)c1)[C@H]1CC12CCNCC2 261827183 PTIZUIFVHPZTBO-IBGZPJMESA-N 370.545 2.900 0 50 FFAA O=C(N[C@H](Cc1ccccc1)c1nc(O)n[nH]1)[C@@H]1CCc2cc(F)ccc21 913560774 GFNFOHNBOXGABU-IAGOWNOFSA-N 366.396 2.779 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)N3CCC(CN4CCNC4=O)CC3)cc2c1 1875286299 PFKKHWXRFKOOOR-UHFFFAOYSA-N 354.454 2.662 0 50 FFAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC(N)=O)C1 1875252706 WRCARSWOXQFMNS-MAUKXSAKSA-N 366.465 2.671 0 50 FFAA Cc1cn(C)cc1C(=O)N(CCO)Cc1ccccc1Br 1875293586 WCHVZPQWHAENOY-UHFFFAOYSA-N 351.244 2.731 0 50 FFAA CN(Cc1ccccc1Br)c1ncnc2sc(=N)[nH]c12 1875328704 IKOUIJGXGRQAFX-UHFFFAOYSA-N 350.245 2.898 0 50 FFAA CN(C)C/C=C/C(=O)NC1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 1875379259 PBTOVPBWLYLFID-RMKNXTFCSA-N 353.470 2.732 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)o1 1247640 WXQWGOAIJFGVGQ-UHFFFAOYSA-N 370.390 2.649 0 50 FFAA Cc1cccc(C)c1OCCNC(=O)COC(=O)/C=C/c1cncs1 2325748997 KQXYSEROXXFTBG-VOTSOKGWSA-N 360.435 2.512 0 50 FFAA O=C1CC(c2ccc(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cc2)C1 2325780779 OREVQKAROMNALO-IBGZPJMESA-N 365.385 2.966 0 50 FFAA CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)Nc1nc(C[C@H]3CCOC3)cs1)C2 2325781801 OCCXJRGCYGYIMF-LUYZLQTOSA-N 364.515 2.859 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c(-c2ccnn2C)c1 2325785514 BXSXCZSWUOWPIE-LDQXTDLNSA-N 365.481 2.521 0 50 FFAA C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790694 BLGDCOVKNZLWBD-BMFZPTHFSA-N 363.469 2.514 0 50 FFAA Cc1ccc([C@@H](CN(C)C)NC(=O)c2cc(C)nc3c2cnn3C)cc1 2325856363 MMAWLWNOXCASDI-GOSISDBHSA-N 351.454 2.618 0 50 FFAA NCc1ccc(NC(=O)c2cncc3nc(C(F)(F)F)[nH]c23)cc1F 2325858296 HTNSKGREPWFPSI-UHFFFAOYSA-N 353.279 2.827 0 50 FFAA CC[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCCCN2 2325866839 BOXSJTYCHBBGSS-OLMNPRSZSA-N 355.482 2.812 0 50 FFAA Cc1ccccc1CCNC(=O)Nc1ccccc1N(C)S(C)(=O)=O 136279564 VQSXOBJZKCPYDY-UHFFFAOYSA-N 361.467 2.755 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1 150746422 MTKICQSMKVULKZ-CQSZACIVSA-N 363.417 2.724 0 50 FFAA O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(Br)cc1 971762 PZQFAQSYYHTQRV-UHFFFAOYSA-N 374.194 2.620 0 50 FFAA COc1cc(OC)c(C2=NO[C@@H](C(=O)NCc3ccco3)C2)cc1Cl 1062719 QUDFMBJMMFOYMA-MRXNPFEDSA-N 364.785 2.760 0 50 FFAA Cc1cc(NC(=O)COc2ccc(I)cc2)no1 1074871 NAFBRYRJJKMYSL-UHFFFAOYSA-N 358.135 2.605 0 50 FFAA O=C(N[C@@]1(C(F)(F)F)NC(c2ccccc2)=NC1=O)C1CCCCC1 4452610 ZLVXPTGTEODRDW-INIZCTEOSA-N 353.344 2.518 0 50 FFAA CN[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 133361656 QPSQKSOXIPHNTM-AWEZNQCLSA-N 369.387 2.656 0 50 FFAA CN(C)c1ccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cn1 56250742 HATOKWQLLFVQAV-UHFFFAOYSA-N 357.429 2.765 0 50 FFAA CC(=O)N1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(C)=O 9935654 BWYZGKFUYHBOCC-QFIPXVFZSA-N 373.412 2.709 0 50 FFAA biogenic O=C(CNC(=O)c1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 54033811 BTTVJTMPOPPAGE-SFHVURJKSA-N 354.406 2.613 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NC[C@H](Cc1ccccc1)N(C)C 248026069 NSQYFGBSTQTYQQ-KNBMTAEXSA-N 354.450 2.504 0 50 FFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3=CCCC3)C2)CC1 64015609 NPRDLFKGNDLMTL-LJQANCHMSA-N 369.509 2.919 0 50 FFAA CC[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 65362534 FVTDSRIQMWHXFZ-DLBZAZTESA-N 352.500 2.542 0 50 FFAA Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)Cc2scnc2C)c1C 320369040 DIMPMSKQVOQPKU-UHFFFAOYSA-N 354.453 2.587 0 50 FFAA CCN(C)C(=O)[C@@H](C)NC(=O)NCCc1ccc(-c2csc(C)n2)cc1 252485772 HDNYOWKNSGIGDK-CYBMUJFWSA-N 374.510 2.827 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 72152796 SABOCLKHNAJQDC-GOSISDBHSA-N 366.527 2.829 0 50 FFAA C[C@H](OCC1CC1)C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328626803 FKJPNYZDDQKGMK-DOTOQJQBSA-N 360.502 2.756 0 50 FFAA CCOc1ccc2[nH]c(=O)c(CN3CCO[C@@H](C(F)(F)F)C3)cc2c1 71754036 YLLDDZCDSBAVJZ-OAHLLOKOSA-N 356.344 2.690 0 50 FFAA CC(=O)N(C[C@@H]1CCCN1C(=O)Cn1c(C)cc2ccccc21)C1CC1 432653379 AOUPDRWGXIJMGA-IBGZPJMESA-N 353.466 2.952 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3c(C)[nH]c(C)cc3=O)C2)c1 72429048 ANYWLDVNMMRRTM-INIZCTEOSA-N 370.449 2.932 0 50 FFAA CC(C)CN(C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C)C1CC1 71759949 MDXWIMHTARPRHB-QGZVFWFLSA-N 373.497 2.623 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnc(-c2cccnc2)nc1 72410171 PXBPEDCPQGQSEZ-UHFFFAOYSA-N 370.416 2.997 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@H]2CCO)c(F)c1 39437541 GMNGYFNTUPAWNU-QGZVFWFLSA-N 362.445 2.805 0 50 FFAA O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 153566745 XGQPWGRSLDLMIX-ZDUSSCGKSA-N 355.785 2.603 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)Cc1ccccc1 14238633 RMLJQIFEIVCBND-UHFFFAOYSA-N 361.389 2.720 0 50 FFAA O=C(NCCc1ccc(O)cc1)NCc1ccc(-n2ccnc2)c(F)c1 363380846 STRJSEAMTSUNOX-UHFFFAOYSA-N 354.385 2.759 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)OCC1=O 215827064 XOTUIIXYMNHSSI-UHFFFAOYSA-N 364.445 2.817 0 50 FFAA N[C@@H]1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)C1 237981362 YXKLYAIGHHOXRM-NDDJGDGRSA-N 373.460 2.566 0 50 FFAA COc1cc(Cl)cc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)c1 72407421 ZLNKUDMKJFITRF-AWEZNQCLSA-N 366.889 2.922 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc(-n2cnnn2)cc1 71752141 BVPOKZDVTWRBLQ-AWEZNQCLSA-N 374.404 2.923 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OCc1ccccc1)C2 72421038 PKVIGUAYJKTZNG-ZWKOTPCHSA-N 364.445 2.958 0 50 FFAA O=C(NCc1noc2c1CCCC2)N1CC[C@]2(C1)OCc1ccccc12 377004856 AASJJYHDFHPWRE-HXUWFJFHSA-N 353.422 2.894 0 50 FFAA O=S(=O)(N[C@@H]1CCCN(Cc2ccccn2)C1)c1cc2ccccc2o1 72145775 SHGRTZYUJPUYHV-QGZVFWFLSA-N 371.462 2.771 0 50 FFAA CC(C)(CN1CCCN(CCCc2ccccc2)CC1)N1CCOCC1 72147217 PSASSBLIGKAWPV-UHFFFAOYSA-N 359.558 2.738 0 50 FFAA c1ccc(OCCN2CCN(Cc3ccc4nsnc4c3)CC2)cc1 72412266 FRUOEAHJGTWHQI-UHFFFAOYSA-N 354.479 2.888 0 50 FFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)Nc1ccc2cc[nH]c2c1 222433010 IPXBJFIRLMZPAM-YQQAZPJKSA-N 358.467 2.832 0 50 FFAA CO[C@H](C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1)c1ccccc1 82133665 LSGQZBMSGNFOAH-SFHVURJKSA-N 358.825 2.903 0 50 FFAA Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1CCN(c2cnccn2)CC1 178235243 VIJODADQRSHGSS-HNNXBMFYSA-N 352.438 2.816 0 50 FFAA CN1CCC[C@@H]2CN(C(=O)NCc3ccccc3CN3CCCC3)CC[C@@H]21 177896659 KJUFBWYNHWPFFN-RTWAWAEBSA-N 370.541 2.908 0 50 FFAA CNC[C@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)C1 178973657 UGDUKDPRXFAECV-GFCCVEGCSA-N 355.276 2.918 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)[C@H](CC)N2CCOCC2)CC1 91636653 QKJIRIWEDXPPKT-SFHVURJKSA-N 362.518 2.500 0 50 FFAA CO[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)c1ccccc1 91381526 SHNXRTZWXMWBKC-SFHVURJKSA-N 365.433 2.800 0 50 FFAA COCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)o1 95380441 OHFGJUHTWQIOAG-KRWDZBQOSA-N 368.433 2.705 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)Nc2ccccc2OCc2ccccn2)C1 95497843 AABHEXHSXIVZPW-OAHLLOKOSA-N 368.437 2.651 0 50 FFAA COCCc1nc(Cc2c(C)n[nH]c2C)n(C2Cc3ccccc3C2)n1 96150319 QHOSWBRQGPDGIX-UHFFFAOYSA-N 351.454 2.738 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cccc3c2ccn3C)CC1)N1CCN(C)CC1 95354272 KBUCLNGMTQLFPM-KRWDZBQOSA-N 368.525 2.666 0 50 FFAA COCCCN1CC2(CCN(Cc3ccc(O)cc3Cl)CC2)CC1=O 95381073 PFZMPHCHJCFACG-UHFFFAOYSA-N 366.889 2.897 0 50 FFAA C[C@@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cnn(C)c1 426370357 IQFIMQHEVQNWOL-RCMYXZNBSA-N 353.470 2.522 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)s1 91809126 HTVZIUKPWPUGBF-GOEBONIOSA-N 362.495 2.666 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2cn(CC(=O)N3CCCC3)nn2)n1 91756545 DASFGWSEKMLOGF-UHFFFAOYSA-N 368.416 2.509 0 50 FFAA CC(=O)N[C@@H]1CN(c2ncnc(Oc3cccnc3C)c2C)C[C@H]1C(C)C 95500636 LSKWGLFCGWBMBM-DLBZAZTESA-N 369.469 2.878 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1 97528990 JICDXNXZOHDJBV-UHFFFAOYSA-N 370.478 2.809 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCCN(Cc2cccnc2)CC1)N(C)C 95389103 LWGIYKIJIPNIHO-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA CCCc1nc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)cs1 91819602 QRIQOECNNWUCJP-UHFFFAOYSA-N 368.462 2.749 0 50 FFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C(C)=O)CC1 95505837 LIDOXNQUAHUAPQ-UHFFFAOYSA-N 360.498 2.981 0 50 FFAA CCc1cc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)no1 91846553 LUOYGLZYCPQAPN-UHFFFAOYSA-N 365.437 2.897 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244887845 YPLUXXITFBCFOF-XPIZARPCSA-N 364.449 2.746 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)c1[nH]nc(C)c1Cl)[C@H]1C[C@@H](O)C1 253393921 PXZKEPZALJIOPR-BPYAMOTFSA-N 367.808 2.761 0 50 FFAA CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1cnc2c(cnn2C)c1OC 183302595 OYVXZLTUUOSYSO-LYRGGWFBSA-N 360.458 2.546 0 50 FFAA Cc1c(Br)cccc1C(=O)N(CCC(=O)O)C1CCOCC1 299753383 YAPNIJPLENHQNI-UHFFFAOYSA-N 370.243 2.853 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 299742454 JGMSNNHVUQHNLC-KWCYVHTRSA-N 352.228 2.876 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 299739246 MHMIBOTUYDMVLW-DGCLKSJQSA-N 350.406 2.594 0 50 FFAA CCCn1ccnc1CNC(=O)c1ccc(-c2nccnc2NC)cc1 534669330 LSYLHYGQESGYSI-UHFFFAOYSA-N 350.426 2.722 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cs1 299792242 FMXUNDONCPZBCR-OAHLLOKOSA-N 368.462 2.942 0 50 FFAA Cc1ccc([C@@H](NC(=O)CSc2nncn2C)c2cccnc2)cc1C 827992341 LLEKULSXANEARL-GOSISDBHSA-N 367.478 2.825 0 50 FFAA CCC(=O)Nc1cc(NC(=O)Cn2nc(C)c(C(C)=O)c2C)ccc1C 952865887 YYYUIDUEJTXUMN-UHFFFAOYSA-N 356.426 2.998 0 50 FFAA O=C(Cn1ccc2ccc(F)cc21)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088320 KNGVNSSZUDDNKR-ZVZYQTTQSA-N 369.440 2.640 0 50 FFAA COc1ccc(CC[C@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 170611148 QJXGEOFZPKFVTL-IFXJQAMLSA-N 353.422 2.721 0 50 FFAA COc1cc2nc(CN3CCc4c(C)cccc4C3)[nH]c(=O)c2cc1OC 170921708 LEBNBHBNLIZBSS-UHFFFAOYSA-N 365.433 2.807 0 50 FFAA C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NC[C@@H](O)C1CCCC1 222332658 OXURWWOFNIHSLG-HYVNUMGLSA-N 356.507 2.542 0 50 FFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCc1cccc(F)c1 190135573 NPRWTTVRZPXCAX-OAQYLSRUSA-N 371.456 2.604 0 50 FFAA C[C@H](C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)N1CCN(C)CC1 195150970 LMBVQMGWPXAYDS-OAHLLOKOSA-N 370.472 2.559 0 50 FFAA CCC[C@H]1CN(C(=O)Nc2ccc(C(=O)OCC)cc2)C[C@@H]1NC(C)=O 216753003 MCHMKCNMMVDWFM-RDJZCZTQSA-N 361.442 2.632 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C[C@@H]3CCCNC3)CC1)OCC2 1704297056 DYCZUABJUBNFEO-MRXNPFEDSA-N 360.498 2.567 0 50 FFAA CN(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCCN(CCCc2ccccc2)C1 12003227 QIDUIXAEXFXYNC-IWGBCORSSA-N 366.509 2.989 0 50 FFAA O=C(c1ccncc1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 12297220 DJFRUOWBGPDAKY-QFIPXVFZSA-N 363.461 2.779 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)Cc3ccccc3C)CC2=O)cc1 12386474 FBMKNVJAGBSMQD-LJQANCHMSA-N 366.461 2.506 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 12404338 OKUZGXMLLSYOHX-UHFFFAOYSA-N 356.422 2.697 0 50 FFAA O=C(c1coc(COc2ccccc2)n1)N1CCN(C2CCCC2)CC1 12592984 QLQQDKALTCBQCJ-UHFFFAOYSA-N 355.438 2.954 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 14538818 BISQBZCHFSKHAK-MRXNPFEDSA-N 370.472 2.925 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16650858 WCEBYCSCJOFFBO-UHFFFAOYSA-N 356.513 2.675 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1nc(-c2ccccn2)nn1[C@@H]1CCOC1 1857671170 ACJOQJFPASGNOX-SNVBAGLBSA-N 364.331 2.721 0 50 FFAA CNC(=O)Cc1nc([C@]2(c3cccs3)CC2(C)C)n(-c2ccccn2)n1 1857676346 FXUZMTXTDDAIIQ-LJQANCHMSA-N 367.478 2.728 0 50 FFAA Cn1cncc1CN1CCC2(CC1)CN(CC1CCCCC1)C[C@H]2C(=O)O 1857689331 NMQZFOTVMTXJTA-IBGZPJMESA-N 374.529 2.599 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@]3(CN(CC4CCCCC4)CC[C@H]3O)C2)[nH]1 1857690801 MAWVGVLEBIEGNP-TZIWHRDSSA-N 374.529 2.587 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)COc2cccc(F)c2)[C@H]1c1ccccc1 1857716221 CBVPDFCPPKNZON-FPOVZHCZSA-N 372.440 2.735 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)CCC(F)(F)F)[C@H]3CC[C@]2(C1)O3 1857737183 AEWJWBPBWITQJI-KLZNWCGWSA-N 360.420 2.891 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)c1ccco1 1857738605 POVOZMVBGQGDLZ-WFXMFSGNSA-N 358.463 2.751 0 50 FFAA O=C(c1nc2ccccn2c1F)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 212604368 VILHHCLLLOVUOV-HOTGVXAUSA-N 356.445 2.810 0 50 FFAA COc1ccc([C@H](CC(=O)N[C@@H](C)[C@@H](O)c2ccccc2)NC(C)=O)cc1 809214519 FGEUJGKUIWKUOU-ONTRVFCTSA-N 370.449 2.501 0 50 FFAA O=Cc1ccc(Br)cc1OS(=O)(=O)C[C@H]1CCCCO1 851820426 AAFYZUHTNVQLNJ-GFCCVEGCSA-N 363.229 2.539 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@H](C)O[C@H]2CCC[C@@H](C)C2)C1 952852897 OAUUZNIOIRQSRU-XVLPMQGWSA-N 351.447 2.650 0 50 FFAA O=C(OC[C@@H]1CC[C@@H](CO)CO1)c1cccc(-c2noc(C3CC3)n2)c1 1875298637 IBIHHIHIKHBXNJ-LRDDRELGSA-N 358.394 2.558 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nnc(O)o3)CC2)c(C)n1-c1ccncc1 1875267779 FWVZQPQVOODDLO-UHFFFAOYSA-N 367.409 2.598 0 50 FFAA CCC(=O)N[C@@H](C(=O)N1CCC2(CCC[C@@H]2CN)CC1)c1ccccc1 1875277941 OSQJZWVGLARSOS-IEBWSBKVSA-N 357.498 2.622 0 50 FFAA Cc1ccc(C(=O)N2CCn3c(C)nc(C4CCN(C)CC4)c3C2)c(O)c1 1875394805 XICIEHXTCTXAPC-UHFFFAOYSA-N 368.481 2.671 0 50 FFAA NCc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c1 1875315054 GGOTYTITTUSLQB-KRXUUXHPSA-N 361.489 2.844 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H](N)CC[C@H]1C(F)(F)F 886034008 CEYLSRILMXAOLO-KCJUWKMLSA-N 355.282 2.903 0 50 FFAA CC(C)(C)OC(=O)N1CCOc2cc(I)cnc21 38534149 AJYLOKUCOHNRQT-UHFFFAOYSA-N 362.167 2.820 0 50 FFAA in-vitro Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 2325738784 HXNXJPUMVQBLIA-HOTGVXAUSA-N 355.438 2.600 0 50 FFAA O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cc(C2CC2)n[nH]1 2325766676 REBBUZCEMPGGNI-UHFFFAOYSA-N 351.410 2.976 0 50 FFAA Cc1ncc2n1CCN(C(=O)Nc1ccccc1OCCn1ccnc1)C2 2325769491 JQQATVJWIOTHJU-UHFFFAOYSA-N 366.425 2.515 0 50 FFAA Cc1nn2c(c1C(=O)N[C@H](C(=O)O)c1ccc(F)cc1F)CCC[C@H]2C 2325798984 MSOMVBMPQNFZCU-ABKXIKBNSA-N 363.364 2.923 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)[C@H](F)C3CCCCC3)C2)n[nH]1 2325842959 NWDJUKKIRHGHEG-RHSMWYFYSA-N 364.465 2.782 0 50 FFAA O[C@H](CNC[C@@H](O)c1ccccn1)Cn1c2ccccc2c2ccccc21 2325861681 XOLSQUGGWDVUTE-OPAMFIHVSA-N 361.445 2.874 0 50 FFAA O=C(Nc1cccn2ncnc12)c1ccc(Cl)cc1N1CCCC1=O 2325872160 KPGUCCISZZEVCZ-UHFFFAOYSA-N 355.785 2.762 0 50 FFAA CCN(C(=O)[C@@H]1C[C@@H]1C)[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325875903 FKVZTPMKGSBTIQ-BMGDILEWSA-N 351.450 2.954 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)C1 2325888577 HJMHWWAFUGKDEE-LBPRGKRZSA-N 372.450 2.618 0 50 FFAA O=S(=O)(c1ccccc1)N(C[C@@H](O)CN1CCCCC1)c1ccccc1 1253520 KJGSIUVZLDWFEQ-IBGZPJMESA-N 374.506 2.729 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCC(N4CCOC4=O)CC3)n2)cc1 2356142220 JBKWWVWOVAFDJP-UHFFFAOYSA-N 367.453 2.631 0 50 FFAA Nc1cncc(-c2ccc(C(=O)N3CC(Oc4ccc(F)cc4)C3)cc2)n1 2356154563 AHUXTWLRTGHTCL-UHFFFAOYSA-N 364.380 2.768 0 50 FFAA COc1ccc(N2C(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4247991 POOWTJLPWKAPNC-QZTJIDSGSA-N 372.446 2.616 0 50 FFAA COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c(OC)c1 55060397 NWZOFCHYANFNJB-UHFFFAOYSA-N 373.428 2.604 0 50 FFAA CC1(C)CC(NC(=O)N2CCN(CCc3ccccc3)CC2)CC(C)(C)N1 53954932 WMTBFLFMTLOULB-UHFFFAOYSA-N 372.557 2.866 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(O)(CO)CC1 67885476 KCXGNDYAWBWBKN-UHFFFAOYSA-N 370.371 2.988 0 50 FFAA Cc1ccc2ncccc2c1CNC[C@]1(O)CCCN(CC2CCC2)C1=O 67643664 XOKHNQHMZYBHLE-JOCHJYFZSA-N 367.493 2.786 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3cccc4cccnc34)C2)nn(C)c1=O 67674277 SQIKMHPFEAQKMC-QGZVFWFLSA-N 351.454 2.530 0 50 FFAA CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1c2ccccc2nn1C 475484107 BPWQYNKMIPUMKJ-UHFFFAOYSA-N 372.375 2.952 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)on1 65398667 TYTSUNBHUAYANN-UHFFFAOYSA-N 368.437 2.912 0 50 FFAA CN1C(=O)[C@]2(CCCN(Cc3noc(-c4ccco4)n3)C2)c2ccccc21 72174601 NDFQMGUVRFISFY-FQEVSTJZSA-N 364.405 2.840 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 120739074 BHABIZBZJSOKQN-UHFFFAOYSA-N 372.388 2.578 0 50 FFAA O=C(NCc1csc(-c2ccco2)n1)N[C@H]1c2ccccc2C[C@@H]1O 121424206 ANACZGUEHNGNTG-HOCLYGCPSA-N 355.419 2.861 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N[C@H]1COC[C@@H]1N1CCCCC1 219961776 CPCIDOLHLRWIJX-PMACEKPBSA-N 355.482 2.860 0 50 FFAA COC(=O)[C@H]1C[C@H](OC)CN1CCCCCn1c(C)nc2ccccc21 328594089 OQEHXHWAUBJVEX-QFBILLFUSA-N 359.470 2.777 0 50 FFAA CN(C(=O)CCCc1cn[nH]c1)[C@H]1CCCN(Cc2ccccc2F)C1 72154640 YDTAYVREGLEVJW-SFHVURJKSA-N 358.461 2.995 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 437579178 KXKYYZHFEGGIIY-LPHOPBHVSA-N 353.466 2.915 0 50 FFAA CCc1nc2c(N3CCC[C@]4(CCC(=O)N(C5CC5)C4)C3)ncnc2o1 77406190 BDFDXHZOSPIMPV-IBGZPJMESA-N 355.442 2.552 0 50 FFAA COC(=O)CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(F)cc1 32121404 BHAGZSUUQRKZSC-WJDWOHSUSA-N 370.405 2.973 0 50 FFAA Cn1c2c(cc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c1=O)CCCC2 215138775 VYDKPFLFBPZBQA-HNNXBMFYSA-N 365.355 2.693 0 50 FFAA O=C(CCCN1Cc2ccccc2C1)NCc1nc(-c2ccccc2)n[nH]1 215272986 XKMRIUDRVBULFE-UHFFFAOYSA-N 361.449 2.884 0 50 FFAA O=C(CN1CCCC1)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72410339 SYZLJLPGVWYPRJ-QFIPXVFZSA-N 369.509 2.514 0 50 FFAA COc1cccc(OCCN2C[C@H](OC)C[C@H]2c2n[nH]c(C3CC3)n2)c1 495476968 AQUXEUVPGLLONT-SJORKVTESA-N 358.442 2.532 0 50 FFAA CCN(C(=O)NCc1ccc(-n2ccnc2)nc1)[C@@H]1CCOC(C)(C)C1 378111427 MLJQNRKKZARGGV-MRXNPFEDSA-N 357.458 2.756 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)c1 77506084 WPJGRDCFWXIFQA-HNNXBMFYSA-N 366.421 2.669 0 50 FFAA CCOC(=O)c1cnn(C(=O)c2sc(-c3ccccc3)nc2C)c1N 239762201 CLIUWYLYWTWJPN-UHFFFAOYSA-N 356.407 2.762 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCN(c2cc(F)ccc2F)CC1 175402670 JOTPKJIDYHJZLX-UHFFFAOYSA-N 360.360 2.698 0 50 FFAA CC(C)c1cc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)n(C)n1 241719772 QPLASNBNIJCNAZ-HRAATJIYSA-N 371.481 2.726 0 50 FFAA CN(C)C(=O)c1cccc(C(=O)NC[C@@]2(C)OCCc3sccc32)c1 290516149 ZHKWFEUCJDABIV-LJQANCHMSA-N 358.463 2.668 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 82137329 KXRACVHULWCOKH-UHFFFAOYSA-N 364.902 2.777 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(OC)nc2ccccc12 82092374 UBIRKLLPZMCLFU-KRWDZBQOSA-N 355.438 2.716 0 50 FFAA OCCc1cn(CC2CCN(Cc3ccc(F)cc3Cl)CC2)nn1 20538337 KVPZTXUGLAJJBP-UHFFFAOYSA-N 352.841 2.518 0 50 FFAA Cc1nc(CCNC(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)nc2c1CCCC2 426550119 YKHZERKVCGLWBU-OAHLLOKOSA-N 370.501 2.949 0 50 FFAA O=C1COc2c(F)cc(NC(=O)N[C@H]3COC4(CCCCC4)C3)cc2N1 426490004 ARUMNZOIIJMWFN-GFCCVEGCSA-N 363.389 2.770 0 50 FFAA CC(C)N1C[C@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O 426360217 OUZYHUZWBLWGPX-ZDUSSCGKSA-N 360.433 2.705 0 50 FFAA COCC(=O)Nc1cc(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)ccc1OC 426420357 PWPMLCRGKLWAKI-RDBSUJKOSA-N 359.426 2.614 0 50 FFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCCN(Cc2ccncc2)CC1 96136204 RZMNOLOQLCTRHB-HXUWFJFHSA-N 365.477 2.757 0 50 FFAA Cc1c(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)n(C)c2ccc(F)cc12 91849232 NLIDOBGCRGINCT-FQEVSTJZSA-N 357.429 2.710 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)c2ccc(-n3cnnc3)nc2)cc1F 97575151 KKCYBNWLWPUKOC-GFCCVEGCSA-N 355.373 2.691 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 97492536 PNEWBQOOCDWIJI-HNNXBMFYSA-N 369.494 2.811 0 50 FFAA CN1CCN(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)CC1 91526929 ORPUPSQQQYEBGL-FQEVSTJZSA-N 370.541 2.555 0 50 FFAA CCC1=NO[C@@H](CNC(=O)Nc2ccccc2OC2CCN(C)CC2)C1 95499798 FMTSJDHQOSXFGM-MRXNPFEDSA-N 360.458 2.836 0 50 FFAA Cn1c(CNCC2(c3ccc(F)cc3)CCCC2)nnc1[C@H]1C[C@H](N)C1 244794631 QQSAXIUWIHTXMS-CZIWCDLHSA-N 357.477 2.761 0 50 FFAA COc1ccc([C@@H](Nc2nc(C)c3c(n2)CCCC3)[C@H]2C[C@H](O)C2)cn1 240128299 IPLODVJTFCXQOP-SPYBWZPUSA-N 354.454 2.992 0 50 FFAA CCc1nnc(CNC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)o1 244574944 CTYWVTWMIYGUKV-IBGZPJMESA-N 359.426 2.663 0 50 FFAA C[C@H]1C[C@H](NC(=O)c2cncc(Cl)c2)c2ccsc2S1(=O)=O 295982331 JIDTYEFKOFNKGY-UFBFGSQYSA-N 356.856 2.834 0 50 FFAA C[C@H](NC(=O)CN1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 29704076 OGQMDBMRMZHKQD-SFHVURJKSA-N 365.477 2.712 0 50 FFAA O=C1C[C@H](C(=O)N2CCCCC[C@H]2c2ncon2)CN1Cc1ccccc1 184177561 CQZQVHTUALKAIW-IRXDYDNUSA-N 368.437 2.562 0 50 FFAA CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CCN(CCN(C)C)CC1 184243808 NZXJHWZTORPJIA-HXUWFJFHSA-N 358.530 2.559 0 50 FFAA CSc1ncc(C(=O)O)c(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 534633689 IXPBHABLKIJPOS-LBPRGKRZSA-N 359.451 2.957 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cccs4)c3CO2)cc1 263619188 XJLRRFJTKRAHQB-MRXNPFEDSA-N 370.434 2.550 0 50 FFAA CCn1cnnc1CCNC(=O)c1ccc(-c2ccc(C(C)=O)cn2)cc1 534646556 WQKZADNKCLLSLW-UHFFFAOYSA-N 363.421 2.535 0 50 FFAA CC[C@@H]1C(=O)NCCN1C(=O)NCC(C)(c1ccccc1)c1ccccc1 534578968 SSMOGZNZPWKHMF-LJQANCHMSA-N 365.477 2.913 0 50 FFAA Clc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299792103 DXHLOLUAKAWIHX-UHFFFAOYSA-N 354.845 2.954 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1n[nH]c2c1CN(C)CC2 670450436 CVQKAIZTCMFMBV-INIZCTEOSA-N 354.454 2.738 0 50 FFAA CN(CCc1ccccn1)C(=O)NC1CCN(Cc2cccs2)CC1 584887261 JMYRQXGJYMAXMP-UHFFFAOYSA-N 358.511 2.992 0 50 FFAA O=C(CN1CCCCCC1)NCc1ccc(C(=O)N2CCCCC2)cc1 952978955 WIEWIYPNXCZICI-UHFFFAOYSA-N 357.498 2.805 0 50 FFAA Cc1cc(=O)c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)c[nH]1 1565507776 PFUYVENVKDLWDF-AEFFLSMTSA-N 369.440 2.559 0 50 FFAA CC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)nc(N)n1 952983355 PLCTXBJPKSZADW-UHFFFAOYSA-N 353.470 2.755 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1472335561 UFIVJEFBMVEQRP-OAHLLOKOSA-N 358.344 2.823 0 50 FFAA Cc1ccc(CN2CC[C@H](Nc3ccc4nnc(C(F)F)n4n3)C2=O)cc1 276829267 OLPWKKBRIGNFRX-ZDUSSCGKSA-N 372.379 2.583 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1SCCc2sccc21 170644418 HHCYJQWQTNIUHF-GFCCVEGCSA-N 366.537 2.653 0 50 FFAA Cc1ccc2c(n1)OCCN2C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 189129438 XRQQGRFNGDTPHU-NRFANRHFSA-N 365.433 2.810 0 50 FFAA CN(CCn1ccc2ccccc21)c1nccc(N2CCC[C@H](O)C2)n1 1529161257 FNXIRXUFLBAZQT-KRWDZBQOSA-N 351.454 2.529 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2O)on1 1529161463 KFOUPEGSXFKTJP-CJNGLKHVSA-N 356.344 2.917 0 50 FFAA O=S(=O)(CCN1CCC([C@@H](O)c2cccs2)CC1)c1ccccc1 1529091591 OLLXBXZDAKQNGO-GOSISDBHSA-N 365.520 2.967 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1 1772709523 KJVNSHNOFHTQTD-WBVHZDCISA-N 364.511 2.803 0 50 FFAA CC[C@H](NC(=O)c1onc2ncccc12)c1ccc(S(C)(=O)=O)cc1 1775978698 BNXKSFIRJCEPMO-AWEZNQCLSA-N 359.407 2.507 0 50 FFAA COc1cccc(OCc2nc(C(=O)N[C@@H](C)c3cn(C)nc3C)co2)c1 12074974 VVHZAHUIWZODBW-LBPRGKRZSA-N 370.409 2.795 0 50 FFAA Cc1ncc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)s1 12474678 JZAPNPFJVHBUFU-INIZCTEOSA-N 351.516 2.739 0 50 FFAA COCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 12581706 JAWOJAMBDZDXML-NRFANRHFSA-N 358.482 2.798 0 50 FFAA COc1ccc(Nc2nc(N)nc(COc3ccc(OC)cc3)n2)cc1 18088912 DZMFSGYUHUKHHO-UHFFFAOYSA-N 353.382 2.794 0 50 FFAA aggregator O=C(c1nc2ccccc2[nH]1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 19791311 HONJRONDHDUNAZ-UHFFFAOYSA-N 373.420 2.694 0 50 FFAA COc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c(OC)c1 19794376 DYVNPMCLHVBTBM-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)c1cnc(CN2CCCC2)s1 220368995 RWLKQTXFIAXFIO-FCEWJHQRSA-N 371.506 2.981 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCO3)c2cc(F)ccc2n1 1857687548 YIJJGOXGMKPXNJ-UHFFFAOYSA-N 357.429 2.619 0 50 FFAA Cc1cnc(CN2C[C@@H](C(=O)O)C3(CCN(CC4CCCCC4)CC3)C2)[nH]1 1857705875 ZDWDTVWLWZTQFY-SFHVURJKSA-N 374.529 2.897 0 50 FFAA CCCc1cc(N2CCN(CC)CC2)n2nc3nc(C)cc(C)c3c2n1 5348518 RTKQGKRPSPCHDI-UHFFFAOYSA-N 352.486 2.989 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H](C1)CN2Cc1ccccc1)NCc1ccco1 247800909 VHQOAZLBLDMKAQ-UXHICEINSA-N 367.493 2.882 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4C)c3)C2)n1 264720399 AZKGGJPCFVDUKI-OAHLLOKOSA-N 351.410 2.892 0 50 FFAA COc1ccc(N[C@H](C)c2cccc(CN(C)C)c2)cc1-n1cnnn1 926095362 LPKKVSRRBAFEFH-CQSZACIVSA-N 352.442 2.906 0 50 FFAA NCc1ccc(-c2cccc(C(=O)N3C[C@@H](CO)[C@H](C4CC4)C3)c2)cc1 1875287583 PPPPDYFERHCYEN-SFTDATJTSA-N 350.462 2.903 0 50 FFAA CN1CC[C@H](NC(=O)N2CCC[C@@H]2Cc2ccc3ccccc3c2)C1=O 1875259786 JCBSYAMIRYSAIX-MOPGFXCFSA-N 351.450 2.787 0 50 FFAA Cc1nc(-c2ccccn2)cc(=NC[C@@](C)(O)c2ccc(F)cc2F)[nH]1 1875255406 WLXPLPZSERFFIH-LJQANCHMSA-N 356.376 2.867 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@H]1CC2(CCC2)CN(Cc2ccccc2)[C@@H]1C 1875302985 PZVZGYGRXLMYKG-MJGOQNOKSA-N 369.509 2.580 0 50 FFAA O=C1CC[C@H](N2Cc3c(cccc3-c3cccc4cc[nH]c34)C2=O)C(=O)N1 1875357136 ZSBQSPSMZZPRTA-KRWDZBQOSA-N 359.385 2.596 0 50 FFAA C=CC(=O)N[C@@H](CCN(C)C(=O)c1cc2nccnc2cc1F)C(C)C 1875386737 XTWMABQTZJHZDZ-HNNXBMFYSA-N 358.417 2.558 0 50 FFAA Cc1cc(CCC(=O)N[C@@]2(C)CCCN(C(=O)C3CC4(CC4)C3)C2)on1 1875408368 UMFHRVVYPSXKLA-IBGZPJMESA-N 359.470 2.603 0 50 FFAA CN1C(=O)CC[C@H](CNc2ncc(Cl)cc2F)[C@H]1c1cnn(C)c1 886088649 BBZGWPFANAXGON-BMIGLBTASA-N 351.813 2.629 0 50 FFAA Cc1nc2c(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)ccnc2n1C 2100478117 SKYXAMLVFSXICQ-UHFFFAOYSA-N 362.393 2.599 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 2100537301 MEFUWOWIEDQKOC-CQSZACIVSA-N 360.421 2.701 0 50 FFAA O[C@]1(CNC[C@@H]2CCCN2Cc2ccccc2)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 2325754279 IVONYFBUDCTOAM-HDJXLZISSA-N 364.533 2.750 0 50 FFAA COc1cc(NC(=O)C2SCCCS2)c(C(=O)N(C)C)cc1OC 841048304 XDWFTBNZVAGAOH-UHFFFAOYSA-N 370.496 2.540 0 50 FFAA Cc1nc(-c2ccc(CC(=O)N3CCC(c4nn[nH]n4)CC3)cc2)cs1 2325763123 RHHTULZGDIIAIK-UHFFFAOYSA-N 368.466 2.580 0 50 FFAA CCOC(=O)c1nn(C)c2c1CN(Cc1ncc(C(C)(C)C)s1)CC2 2325779483 IXKAQVKTKHLANG-UHFFFAOYSA-N 362.499 2.909 0 50 FFAA O=C(N1CCC=C(c2ccccc2O)C1)C1(N2CCOCC2)CCCC1 2325797041 YBWKKSSIVNGRKY-UHFFFAOYSA-N 356.466 2.653 0 50 FFAA Oc1nc2cc(F)ccc2cc1CSc1nncn1C1CCNCC1 2325809862 VUNZKBAUGLGETM-UHFFFAOYSA-N 359.430 2.888 0 50 FFAA CCC(=O)NCc1ccc(CN(C)C(=O)Cc2cc(C3CC3)on2)cc1 2325867800 GEPQRJCZAISIHT-UHFFFAOYSA-N 355.438 2.779 0 50 FFAA CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2cc(O)ccc2c1 2325868688 GOOAGBKHKBATSP-HXUWFJFHSA-N 362.429 2.975 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccnn3C)cs2)cc1 2325894204 UNPHAOWVLXZXPK-UHFFFAOYSA-N 353.407 2.920 0 50 FFAA Cc1cc(C)c2cc(C(=O)NCc3ccncc3O[C@H]3CCNC3)[nH]c2c1 864304752 NBWPKTOHISBWEI-INIZCTEOSA-N 364.449 2.850 0 50 FFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Br)cc1 638868 WQZWVPRBJHAGRT-UHFFFAOYSA-N 358.195 2.798 0 50 FFAA COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(C)(=O)=O)cc1 821135 KRQYXTWTSARTAR-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cnc(C)n3C)CC1)OCC2 2356144301 QLYFRLPWMYHKIF-UHFFFAOYSA-N 371.481 2.810 0 50 FFAA O=C(CSCc1ccccc1Cl)NN1C(=O)c2ccccc2C1=O 2879672 APOQTMBYXYXQGI-UHFFFAOYSA-N 360.822 2.901 0 50 FFAA COc1cc2c(cc1NC(=O)CSc1nnnn1C)oc1ccccc12 3214378 DCQPNSLGIRIWNZ-UHFFFAOYSA-N 369.406 2.849 0 50 FFAA C[C@H](c1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1)N(C)C 2356158285 GYFASCXXRDGMDP-OAHLLOKOSA-N 365.481 2.980 0 50 FFAA O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 4487356 CESFFPZZUBVPIG-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA C[C@@H](C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 4821139 LFIJNFKDTIAYFU-ZDUSSCGKSA-N 358.891 2.897 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4828437 VNCXBVWPMHNVBC-QZTJIDSGSA-N 356.447 2.916 0 50 FFAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCC1 6700945 YPEORLKMBZGZMY-UHFFFAOYSA-N 368.499 2.509 0 50 FFAA Cc1cccc(CNC(=O)[C@@H]2[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@H]32)c1 102644495 VZRXBXLTAFTYDM-LFUKPOHLSA-N 360.461 2.866 0 50 FFAA CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 225624215 KOEWGFQQEYTDRU-FQEVSTJZSA-N 365.445 2.922 0 50 FFAA CN1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)NC2CCC2)C[C@@]1(C)C(=O)O 67446728 FTIUTURNRSGRBB-MPGHIAIKSA-N 350.846 2.845 0 50 FFAA CCN1CCN(c2c(Cl)cccc2NC(=O)c2csnn2)CC1 55253255 COSXRXBXZZTKBE-UHFFFAOYSA-N 351.863 2.586 0 50 FFAA CCC(CO)(CO)C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 55088856 RRYCNYYJWIJVGU-UHFFFAOYSA-N 356.422 2.567 0 50 FFAA NC1(C(=O)NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)CCC1 67920036 RNFSHLJIYRURKX-UHFFFAOYSA-N 365.412 2.775 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)c(F)c1 67886293 RNPPXTFFRMPMPU-NRFANRHFSA-N 374.431 2.651 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cccn3Cc3cccnc3)C2)cc(=O)[nH]1 23429309 GMWXOTSWYVRHDV-GOSISDBHSA-N 363.465 2.703 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 22185066 KNDKBQBKHCGWED-UHFFFAOYSA-N 368.433 2.948 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3ccnn3C)CC2)c1 12090783 YJQWFYAHRAQJBR-UHFFFAOYSA-N 370.453 2.700 0 50 FFAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC[C@@H](C2OCCO2)C1 229797323 NDQGWBQAPXDAAP-CHWSQXEVSA-N 368.861 2.761 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C 39489901 LZCXUZZHMBUFBX-OAQYLSRUSA-N 370.541 2.897 0 50 FFAA O=C(O)c1ccc(/C=C/C(=O)N2CCC(OC3CCOCC3)CC2)cc1 328594978 HKZRPEQZAJHKFM-ZZXKWVIFSA-N 359.422 2.585 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CCC[C@@]4(CNC(=O)O4)C3)oc12 72155967 RPPUFLJEKWWTNV-QGZVFWFLSA-N 364.785 2.809 0 50 FFAA COc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)nn1 332331218 PIMSWQNPMZTXPH-NSHDSACASA-N 355.364 2.617 0 50 FFAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(NC=O)cc1 363349507 PJULNBIYCQEKAW-KRWDZBQOSA-N 351.450 2.992 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1CCc1c[nH]cn1 72418858 QQMDVZPRVSZRIC-QFBILLFUSA-N 356.445 2.604 0 50 FFAA COc1ccccc1C1(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 487563701 IDFGLGUZRPNLIS-MRXNPFEDSA-N 368.408 2.788 0 50 FFAA Cc1nc2ccccc2n1C1CCN(Cc2cc(=O)n3nccc3[nH]2)CC1 366478795 ZCDDACPFFFJXJQ-UHFFFAOYSA-N 362.437 2.518 0 50 FFAA COc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 71752825 RVOHUTZODBCFKB-KRWDZBQOSA-N 372.444 2.888 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1nc2c(s1)CCCCC2 30627789 UGMSVBLNAKUGFR-UHFFFAOYSA-N 354.435 2.761 0 50 FFAA COc1cc(Cl)cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c1 71315232 SXYPKQGFVPWWLF-UHFFFAOYSA-N 365.905 2.591 0 50 FFAA CC(=O)c1cn(CC(=O)NCc2ccc(C(=O)O)cc2)c2ccccc12 36360463 VDMVDAXRBOJGRB-UHFFFAOYSA-N 350.374 2.859 0 50 FFAA CCc1nc(N2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)ncc1C 72478063 SSJXIDKAOCEWDD-LJQANCHMSA-N 354.498 2.729 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c1 72421325 QSSBCYZORUSZQN-GOSISDBHSA-N 358.482 2.521 0 50 FFAA Cc1nc2ccccn2c1C(=O)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 48308333 OQAKEENRYCGAMT-HNNXBMFYSA-N 364.453 2.664 0 50 FFAA CCc1cc2c(=O)n(C)c(SCC(=O)N3CCCCC3)nc2s1 40456166 CKCQMDZIBMRWNG-UHFFFAOYSA-N 351.497 2.662 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCc4cccc(C)c43)ccc21 194183897 VQPDCIXGQDZGBF-UHFFFAOYSA-N 356.447 2.655 0 50 FFAA Cc1ccccc1C(=O)NCCNC(=O)c1nc(C2CCCCC2)no1 20418404 PWVFTNOCYZEEGU-UHFFFAOYSA-N 356.426 2.586 0 50 FFAA CNc1nc(C)cc(-c2cccc(C(=O)NCCc3ccc(C)o3)c2)n1 426668982 JGUPMYFUQLTRII-UHFFFAOYSA-N 350.422 3.368 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)cc(=O)[nH]1 82096906 RHROKJPNKDWPQN-CYBMUJFWSA-N 354.435 2.708 0 50 FFAA COc1ccccc1CNC(=O)c1sc(NC[C@H]2CCCO2)nc1C 44901353 ODHAGLLWLTZFKY-CQSZACIVSA-N 361.467 2.981 0 50 FFAA CCc1ocnc1C(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 222620538 LKZRYBKTDHOHIK-LJQANCHMSA-N 366.421 2.561 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1ccc(-c3ncccn3)cc1)CC2 426510916 YEWFXWLPRYMFAW-UHFFFAOYSA-N 364.449 2.618 0 50 FFAA Cc1c(NC(=O)N2CCC[C@H]2Cn2cccn2)cccc1-c1nncn1C 426369187 MRQAHJJLMJNWAP-HNNXBMFYSA-N 365.441 2.684 0 50 FFAA CCc1nccn1CCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95502831 SIJWXFDKOJNNHU-UHFFFAOYSA-N 365.437 2.514 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@@H]3CC(C)=NO3)CC2)cc1 95498264 NCHBRZUGJVJXHK-FQEVSTJZSA-N 373.497 2.573 0 50 FFAA O=S1(=O)CC[C@H](n2nc(-c3ccccc3)nc2CSCC2CC2)C1 96140831 RYXOKRWSIZOXNU-HNNXBMFYSA-N 363.508 2.948 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)C1 426534047 KVLHAXREJABUED-HNNXBMFYSA-N 360.360 2.688 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)CCO)csc3C2)nc1 426535900 PBOMTGBLPCUDHJ-AWEZNQCLSA-N 373.522 2.765 0 50 FFAA O=C(C1CCOCC1)N1CCC(c2nccn2Cc2cscn2)CC1 91934523 MSCDYBZKZFYFAL-UHFFFAOYSA-N 360.483 2.521 0 50 FFAA Cn1c(C(N)=O)cc2c1CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 91645894 RZITUSPQTJJFCV-UHFFFAOYSA-N 355.482 2.615 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1 91690397 ABMLIDRJPYAPFE-OAQYLSRUSA-N 352.482 2.867 0 50 FFAA COc1ccccc1CN1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91425210 NQRKENJLABWQLV-OAQYLSRUSA-N 358.482 2.689 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@H]2COc3c(cccc3OC)C2)c1C 95352682 PRYYEHXMDZJZRK-MRXNPFEDSA-N 357.454 2.786 0 50 FFAA c1ccc(-c2cn(C3CCN(Cc4cnn5cccnc45)CC3)nn2)cc1 23478916 JTKDYNFSMQCJBE-UHFFFAOYSA-N 359.437 2.825 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1C 91656348 NUOSBVFWMNZMCG-ZWKOTPCHSA-N 356.466 2.867 0 50 FFAA CNC(=O)[C@@H](NC(=O)Nc1cc(C)nn1C1CCCC1)c1ccccc1 96147888 VOGLHVMPQNHJFU-KRWDZBQOSA-N 355.442 2.915 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 95362154 SZCCWXKSVFSMRO-SMDDNHRTSA-N 364.421 2.553 0 50 FFAA Cc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91745771 ZYAOILWFARMERB-ZWKOTPCHSA-N 356.466 2.623 0 50 FFAA CCc1nc(CCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)no1 243902051 BFLHEDVSAOVXHZ-SFHVURJKSA-N 360.433 2.657 0 50 FFAA CN1CCN(CCN2CCN(c3ccccc3)CC2)C[C@H]1c1ccccc1 244734467 NFXZNAIKFAMVNM-QHCPKHFHSA-N 364.537 2.797 0 50 FFAA CC(=O)c1ccc(NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)cc1 299789159 RYIMXUDYGJVNRW-UHFFFAOYSA-N 357.332 2.518 0 50 FFAA O=C(Nc1ccc2[nH]c(=O)oc2c1)N(Cc1ccncc1)C[C@H]1CCCO1 299762471 XHMRUBLFIJPBTK-OAHLLOKOSA-N 368.393 2.729 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)N1CCC[C@@H](Cn2ccnc2)C1 584888159 FGAJYDVRNJDLSH-HNNXBMFYSA-N 373.526 2.883 0 50 FFAA COc1cnc([C@H]2CCCN2c2cc(C(F)F)nc(SC)n2)nc1O 1343307580 ZXSPVFMRSVMPLX-SECBINFHSA-N 369.397 2.982 0 50 FFAA Cc1cccn2c(CC(=O)Nc3ccc(CC(=O)NC4CC4)cc3)cnc12 952980121 XYKRKQWWGAVTBZ-UHFFFAOYSA-N 362.433 2.645 0 50 FFAA Cn1cc(Br)cc1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 275714002 VKNSZBQRDVXLRG-DZGCQCFKSA-N 364.243 2.833 0 50 FFAA COc1ccnc(NC2CCN(Cc3cnc4ccc(C)cn34)CC2)n1 191690676 WBKVJEUAWYTDAJ-UHFFFAOYSA-N 352.442 2.518 0 50 FFAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CC[C@H](CO)[C@H](O)C1 191987402 FJSWVXYRQVEFNT-FZKQIMNGSA-N 368.458 2.779 0 50 FFAA O=C(c1csc(-c2ccccc2)n1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529112600 OIPWUBHPTNDUCZ-SJLPKXTDSA-N 369.490 2.745 0 50 FFAA Cc1ccc(C)c(OCCc2nnc(NC(=O)[C@H](C)CN(C)C)s2)c1 1529181383 NIPYRHJKCNKESD-CQSZACIVSA-N 362.499 2.913 0 50 FFAA CO[C@@H]1C[C@H](C(=O)N(Cc2cnn(-c3ccccc3)c2)C2CC2)CC[C@@H]1O 1704307619 CKEHNILZDVENNY-LSTHTHJFSA-N 369.465 2.539 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1C(=O)O 219310869 IPNSUVYIBXWFBM-MOPGFXCFSA-N 369.465 2.605 0 50 FFAA Cc1nc(NCc2ccco2)sc1-c1ccn(CCN2CCOCC2)n1 12123019 BYAHGRKAOXQLAS-UHFFFAOYSA-N 373.482 2.852 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 12380453 NURWPMMKSXAXHL-HNNXBMFYSA-N 358.413 2.950 0 50 FFAA COc1ccc([C@H]2C[C@H](c3cccc(OC)c3OC)n3nnnc3N2)cc1 13124608 IVBVNCLHSRBQBU-HZPDHXFCSA-N 367.409 2.845 0 50 FFAA CN(C)C(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 14538335 SALLKEVHOOHNCU-ZWKOTPCHSA-N 371.456 2.826 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 15069402 QCRRRNIVYVGNGZ-LJQANCHMSA-N 368.408 2.602 0 50 FFAA CC(C)N1C[C@H](CNC(=O)Cc2csc(-c3ccccc3)n2)CC1=O 19810020 STOXDCCZWRSHDF-AWEZNQCLSA-N 357.479 2.726 0 50 FFAA CN(CCOc1ccc(Cl)cc1)[C@@H]1CCCN(c2cnn(C)c2)C1=O 158384504 DCVNKQYFMLQSGP-QGZVFWFLSA-N 362.861 2.580 0 50 FFAA Cc1ccc(C=CCC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(N)=O)cc1 1857529823 GRYIRZBDPDXYIR-QGZVFWFLSA-N 352.438 2.974 0 50 FFAA Cc1cc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)ncn1 1857674060 ZEOWEGHEOFRNGP-NRFANRHFSA-N 374.448 2.827 0 50 FFAA COc1ccc(N2CCN(Cc3ccc(N4CCCC4=O)cc3)CC2)cn1 1857683973 TXUIUKMBRRGOJN-UHFFFAOYSA-N 366.465 2.539 0 50 FFAA O=C1OC[C@@]2(Cc3ccccc3)CN(c3cnc4ccccc4n3)CCN12 1857689714 VWKZMBVXFXWHER-OAQYLSRUSA-N 360.417 2.884 0 50 FFAA CC1CCN(C(=O)COc2ccccc2CN2C[C@H]3C[C@H](O)C[C@H]3C2)CC1 1857692790 UPVLVOXBRAVFMZ-PMOLBWCYSA-N 372.509 2.527 0 50 FFAA CNC(=O)Cn1cc(-n2ccnc2-c2ccc(OC3CCCC3)cc2)cn1 1857694550 DPTVMZLOFCLXTH-UHFFFAOYSA-N 365.437 2.803 0 50 FFAA OC[C@@H]1CCCCN1CCn1ccnc1-c1ccnn1-c1ccccc1 1857702953 JUJJNHNPIGSSQX-SFHVURJKSA-N 351.454 2.583 0 50 FFAA O=C(c1cccc2c(Cl)cccc12)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857705828 XLIPWVCRVNDCCO-FXAWDEMLSA-N 372.852 2.596 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ccc(Cl)cn3)C[C@]23CC[C@H]1O3)c1ccco1 1857718484 WFENQOSDVOAJFD-NRTGNBEESA-N 373.840 2.742 0 50 FFAA Cc1cc(C(=O)N2CC(O)(C3CC3)C2)c2ccc(Br)cc2n1 408300599 YNZXWVCBTODQBJ-UHFFFAOYSA-N 361.239 2.903 0 50 FFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@H]1CCc2nncn2C1 329179430 NKUPKQOUIKUXPJ-ZOBUZTSGSA-N 354.454 2.849 0 50 FFAA Cc1cnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 123328149 DYYBEKXBFRZFLG-DZGCQCFKSA-N 351.328 2.752 0 50 FFAA CCNC(=O)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 134099937 NNGKHQIIJZARDT-UHFFFAOYSA-N 372.856 2.889 0 50 FFAA CNC(=O)C1CCC(NC(=O)NCc2ccccc2C(F)(F)F)CC1 263698533 IFNYTJIEKGTNDB-UHFFFAOYSA-N 357.376 2.809 0 50 FFAA NC(=O)[C@]1(c2ccccc2)CCN(Cc2nnc(-c3cccc(F)c3)o2)C1 839644168 VJVIJKAKKXFQHF-HXUWFJFHSA-N 366.396 2.505 0 50 FFAA COc1cc(OC)cc([C@H](O)CNc2nc(N(C)C)c3ccccc3n2)c1 827649285 KYSFBTVDPPGFHE-GOSISDBHSA-N 368.437 2.859 0 50 FFAA O=C(Cc1cc2cc(Cl)ccc2[nH]1)N1CCC[C@H](c2nc(O)n[nH]2)C1 839759388 YFWPEWRALTWMDQ-JTQLQIEISA-N 359.817 2.594 0 50 FFAA CC(=O)Nc1ccc(CN(C)C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)cc1 1875298881 QOKKWKFGXVXERS-UWJYYQICSA-N 363.417 2.513 0 50 FFAA O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(Cc2nc[nH]n2)cc1 1875254984 GQZZKRNBYZPRCE-UHFFFAOYSA-N 358.405 2.893 0 50 FFAA COc1ccc2nc(O)c(CN3CCC([C@@]4(C)COC(=O)N4)CC3)cc2c1 1875306082 RUSCYYTZBUAXHQ-HXUWFJFHSA-N 371.437 2.660 0 50 FFAA C[C@H](c1nc(C2CC2)no1)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096360 CELHQHGBENBXCC-DYVFJYSZSA-N 357.458 2.618 0 50 FFAA C[C@@H]1CCCc2cc(-c3noc([C@H]4CC(=O)N(C5CC5)C4)n3)c(O)nc21 896767211 DTDGBBBLTDDDRG-PWSUYJOCSA-N 354.410 2.755 0 50 FFAA CCOC(=O)NCCc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 4727637 QKKXFTZEEQNGHB-UHFFFAOYSA-N 362.451 2.800 0 50 FFAA CC(C)COC(=O)N1CCCN(c2nnc(Cc3ccccc3)n2C)CC1 2325734863 XGKARFYZMKTCOS-UHFFFAOYSA-N 371.485 2.711 0 50 FFAA FC(F)(F)c1ccn(-c2ccc(CN[C@@H]3CCc4nn[nH]c4C3)cc2)n1 2325777521 IXKMITBBABINNU-GFCCVEGCSA-N 362.359 2.656 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc2c(o1)CCCC2 2325785500 BQDZYPGOAZQHSO-KCPJHIHWSA-N 363.845 2.578 0 50 FFAA Cn1nnc(CNCc2c(O)nc3ccccc3c2Cl)c1C(F)F 2325789120 RKOWDBQAAHAGQK-UHFFFAOYSA-N 353.760 2.950 0 50 FFAA C[C@](O)(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)C(F)F 2325821333 GCGCAFBTUGUIEN-IBGZPJMESA-N 357.360 2.988 0 50 FFAA O=C(O)c1cc2ncc(-c3cc(F)ccc3OC[C@H]3CCCO3)cn2n1 874969891 HVPSSOLMGGPVAE-CYBMUJFWSA-N 357.341 2.791 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 784406 ZMTLEJWYMOQIIR-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA COCCn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 2866605 XRYKUKJIKWFTKP-UHFFFAOYSA-N 370.474 2.798 0 50 FFAA CCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 4867745 ZDUZHFDISREYRU-UHFFFAOYSA-N 352.843 2.989 0 50 FFAA COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 52537398 NJTDPASRULCSDW-UHFFFAOYSA-N 357.429 2.903 0 50 FFAA CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC2=O)cc1 100841889 KIYCPZUGSBNQLX-GOSISDBHSA-N 362.389 2.819 0 50 FFAA Cc1cccc(-n2cc(-c3ccnc(N[C@@H](C)Cn4cncn4)n3)cn2)c1 23399352 ZFYXAWJHFHFCRM-HNNXBMFYSA-N 360.425 2.730 0 50 FFAA Cn1nc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc2c1=O 248063543 VNVWJQNQTXFMMO-HRCADAONSA-N 353.466 2.951 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(-c2ccccc2)[nH]n1 67817426 RKFYDILCISNLPX-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA O=C1N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C(=O)N1C1CCCC1 67908627 AJCSHQWBNDSIQD-FQEVSTJZSA-N 359.445 2.601 0 50 FFAA Cc1cccnc1CN1CCN(Cc2cccn2-c2nccs2)CC1 65507823 RWHUHXPEUPBHQU-UHFFFAOYSA-N 353.495 2.955 0 50 FFAA COCc1noc(-c2ccc(NCCc3cn4ccccc4n3)nc2)n1 20541106 OKGVFEXXKOVHJZ-UHFFFAOYSA-N 350.382 2.580 0 50 FFAA COCC(=O)N1CCC(C(=O)NCc2ccccc2-c2ccccc2)CC1 65375072 PYKPSJIJAQXZJV-UHFFFAOYSA-N 366.461 2.855 0 50 FFAA C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C(=O)O)c(C(F)(F)F)c2)C1 120315991 BKTSBTMHYFYLQR-SECBINFHSA-N 366.361 2.792 0 50 FFAA CCc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(NS(C)(=O)=O)cc32)o1 65451191 VTDLSNNCGASSOX-GFCCVEGCSA-N 364.423 2.696 0 50 FFAA COc1ccc2[nH]cc(CC(=O)NC3CCN(c4nccs4)CC3)c2c1 281058878 HGIIPTUPKKEVLJ-UHFFFAOYSA-N 370.478 2.961 0 50 FFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1ccc2c(c1)OCCCO2 252666563 BXNLBUWNYHLCAY-IYVPYFHTSA-N 360.410 2.557 0 50 FFAA COc1c(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(C)nn1C 328604274 JEUOJLCDUHWZSL-FOIQADDNSA-N 371.485 2.626 0 50 FFAA CCCCc1nc(CN2CCCC[C@H]2c2ccc(C(=O)NC)n2C)no1 328628841 HQNNWYBUDBUXKG-HNNXBMFYSA-N 359.474 2.838 0 50 FFAA CC(=O)N(C[C@H]1CCCN1C(=O)Cn1c(C)cc2ccccc21)C1CC1 432653381 AOUPDRWGXIJMGA-LJQANCHMSA-N 353.466 2.952 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc3c4c([nH]c13)CCCC4)C2 72165136 UFUKUPFCBCRTIN-UHFFFAOYSA-N 362.433 2.637 0 50 FFAA C[C@@H]1CN(C(=O)c2cccnc2N2CCCCC2)CCN1CC(F)(F)F 125214602 DCYGDZRVPOFJRN-CQSZACIVSA-N 370.419 2.781 0 50 FFAA COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1Cc1ccccc1 153189250 ZHFDUKGOHUXOAN-INIZCTEOSA-N 373.474 2.946 0 50 FFAA CN(Cc1ccccc1N1CCCC1)C(=O)N[C@H]1CCc2[nH]ncc2C1 153801858 UZJJCRWNHDHZHR-KRWDZBQOSA-N 353.470 2.709 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NCc1ccnc(N2CCCCC2)c1 132098659 FBDUTCKVQGZVDM-UHFFFAOYSA-N 353.422 2.660 0 50 FFAA CCOc1cccc2c1OC[C@H](C(=O)Nc1cc(CCOC)ccn1)C2 376157024 IYSUGHDQANCMLG-MRXNPFEDSA-N 356.422 2.859 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(c3nccnc3C)C2)cc1OC 72480601 JKFWIQUUAGXZIU-SFHVURJKSA-N 370.497 2.946 0 50 FFAA CCC(CC)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71751597 XBSPFRFAMXUWHC-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 173093987 LDAOVOYEGCOGJD-GVDBMIGSSA-N 351.402 2.681 0 50 FFAA O=C(c1ccc(Br)cn1)N1CCNC[C@H]1c1cccc(F)c1 261987546 ORXRVHLYEUYDRQ-HNNXBMFYSA-N 364.218 2.770 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NCc2ccccc2-n2cncn2)cc1 72411389 NNCSFHUVXUYKOK-UHFFFAOYSA-N 364.449 2.901 0 50 FFAA Cn1ccnc1CN1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 215568516 CTKZPTNGCBYOTI-UHFFFAOYSA-N 355.873 2.940 0 50 FFAA Nc1nc(NCC2CCN(Cc3ccccc3)CC2)cc(C2CC(O)C2)n1 219522474 UXMAHOGSXLTRPR-UHFFFAOYSA-N 367.497 2.621 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)[C@H](CCO)C3)c(C)o2)c(C)c1C 71747694 NHVMVMAMJQBWDH-QGZVFWFLSA-N 373.497 2.774 0 50 FFAA CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3ccc(C)n3)cc2)(C(=O)O)C1(C)C 262837736 SVOFYEKXNSZSPW-OXJNMPFZSA-N 371.437 2.569 0 50 FFAA O=C(c1ccon1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71415593 VYARMXQNDTWSIJ-MORSLUCNSA-N 359.376 2.655 0 50 FFAA COc1ccc([C@H]2OCC[C@@H]2NCc2cc3ccccc3nc2O)cn1 284960953 KDODVSKYQHQRPJ-PKOBYXMFSA-N 351.406 2.964 0 50 FFAA CC(C)Cn1cnc(S(=O)(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1 175029524 FSMLBMVOSNOBBV-HNNXBMFYSA-N 362.499 2.820 0 50 FFAA Cc1cccc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)c1Cl 223970257 NWRAOEVPTMIZOT-UHFFFAOYSA-N 350.890 2.959 0 50 FFAA CC(=O)N1CC2(CCN(Cc3ccc(C)c(F)c3F)CC2)C[C@@H]1C(=O)O 82097377 DOSNZZSMHSTQNX-OAHLLOKOSA-N 366.408 2.561 0 50 FFAA CN(CCn1ccnc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 426552078 WHMLGCURYFVSDL-SFHVURJKSA-N 359.449 2.501 0 50 FFAA CCc1noc(CCNC(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)n1 426677406 HGNOKKLEYDKMRI-UHFFFAOYSA-N 362.821 2.546 0 50 FFAA CSCC[C@H](NC(=O)c1[nH]nc(N)c1Cl)c1nc2ccccc2[nH]1 221221482 OJTLEZPKAKVXMF-JTQLQIEISA-N 364.862 2.746 0 50 FFAA CC[C@H]1C(=O)N(C)CCN1Cc1ccc(OCc2ccc(C(=O)O)o2)cc1 97745122 QEJRHDUPHCQILK-KRWDZBQOSA-N 372.421 2.609 0 50 FFAA CC[C@H](O)Cn1nc(-c2c[nH]c3ccccc23)nc1CN1CCCCC1=O 96166899 PIFZQXQJYHBTQQ-AWEZNQCLSA-N 367.453 2.710 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 91858352 HXORTKVTNJCNBD-GOSISDBHSA-N 352.369 2.620 0 50 FFAA CCCN(CCOC)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91943011 DEWXOFLCXDTTSQ-MRXNPFEDSA-N 366.889 2.964 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(=O)n2cc(Cl)ccc2n1 294286806 UOXUIWZYEWZQQW-DFBGVHRSSA-N 361.829 2.566 0 50 FFAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1cnc2ccnn2c1C 97480534 IBAOYPRYKPTSTF-ZDUSSCGKSA-N 356.401 2.854 0 50 FFAA O=C(N[C@@H]1CCCNC1=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 91713661 SCWIAWYFTNJDJO-LLVKDONJSA-N 369.368 2.837 0 50 FFAA O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc2[nH]c(CO)nc2c1 97480429 RDALNBKVAYQIIN-FQEVSTJZSA-N 358.401 2.970 0 50 FFAA CCc1ncc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)cn1 91586952 LYHDSQISLHACIT-UHFFFAOYSA-N 354.454 2.789 0 50 FFAA COCCc1noc([C@@H]2CCCCN2Cc2nc(-c3ccco3)no2)n1 244795836 ROLBFRDCVRWYHF-LBPRGKRZSA-N 359.386 2.629 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Cc2cccc(F)c2)CC1 181973361 PQNYKSHEFDATQZ-KRWDZBQOSA-N 373.472 2.801 0 50 FFAA Cc1nc(N2CCN(C/C=C/c3ccccc3)CC2)cc([C@H]2C[C@H](N)C2)n1 252551885 UJFKLCUSPIFXJK-TWDGXRMPSA-N 363.509 2.825 0 50 FFAA COc1cnc(CN2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cc1O 252484884 GJYDKZDWSCPMPO-PMACEKPBSA-N 360.454 2.514 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)NCCc2nc(C(=O)O)cs2)cc1 455887234 HZVZOCWNJNNZRN-LLVKDONJSA-N 350.465 2.989 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)c3nc4ccccc4[nH]3)C[C@H]2O)c1 67740756 VXDDKKYAVWAEPU-MAUKXSAKSA-N 351.406 2.562 0 50 FFAA Cc1nn(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)c(C)c1Cl 299795829 LZEPGRLONOKARZ-GOSISDBHSA-N 362.861 2.521 0 50 FFAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCN(C2CCCCC2)C(=O)C1 299793233 HIVNJDPMSQZQSM-UHFFFAOYSA-N 352.438 2.694 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCC1)C2)c1ccccc1 299788261 RIGPIMJEVKYUAW-ZDUSSCGKSA-N 369.446 2.763 0 50 FFAA CSc1cccc(CN(C(=O)N[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 824941221 VSSHIOVSCGLJIJ-CQSZACIVSA-N 356.513 2.516 0 50 FFAA Cc1n[nH]c(C)c1CCNC(=O)CCc1nc(-c2ccccc2F)no1 670449859 TVHYOMGQWNSNDN-UHFFFAOYSA-N 357.389 2.507 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)ccc2O1 952977996 AMXJVBQZBZGBOM-CQSZACIVSA-N 365.433 2.896 0 50 FFAA O=C1CCC(CCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)=NN1 952981317 VAEVTHDHRCOMSD-OAHLLOKOSA-N 373.844 2.926 0 50 FFAA CCCN(Cc1ccccc1F)S(=O)(=O)N1CCC(COC)CC1 952986791 KPXIKSNIIAKNCO-UHFFFAOYSA-N 358.479 2.641 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)CCc2cccc(OC3CCCC3)c2)CCO1 269045024 SCTIQZLWVWUCGV-SFHVURJKSA-N 361.438 2.643 0 50 FFAA Cn1c([C@@H]2CCCN2C[C@@H](O)COc2ccccc2)nc2c1CCCC2 275586823 GBDKDZIDSKZRTM-UZLBHIALSA-N 355.482 2.876 0 50 FFAA Cn1ccnc(N2CCC[C@@H](NCc3csc4ccccc34)C2)c1=O 275650674 UIGVHIHGKKEWNH-OAHLLOKOSA-N 354.479 2.754 0 50 FFAA COc1cc(NC(=O)c2[nH]c3ccccc3c2OC)c(C(N)=O)cc1OC 795819084 HGJRKFKWZKIJTP-UHFFFAOYSA-N 369.377 2.545 0 50 FFAA Cc1cc(C)c(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)c(-n2cccn2)c1 1615739111 FCPLICCPQPSQFP-AVRDEDQJSA-N 362.477 2.920 0 50 FFAA Cc1ccnn1CCN1CCC(C(=O)NCc2ccccc2Cl)CC1 1506401867 MDZVFVLRPZLQGD-UHFFFAOYSA-N 360.889 2.873 0 50 FFAA O[C@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@@H]1c1ccc2c(c1)OCO2 212317212 CETGTURWCYTLAH-NEPJUHHUSA-N 367.327 2.579 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12438552 DWPWLONMLOBOPI-HNNXBMFYSA-N 365.424 2.770 0 50 FFAA COC(=O)[C@H](C)Sc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1 13143673 UCXXJLNIMLUELP-QMMMGPOBSA-N 364.814 2.828 0 50 FFAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1CCc1ccncc1 15008245 AEOWTLJZISZCCB-IBGZPJMESA-N 371.456 2.813 0 50 FFAA COCCN(Cc1cc[nH]n1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 15075101 AMXHUBIMFBHPEL-GOSISDBHSA-N 368.525 2.738 0 50 FFAA O=C(CCN1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 19911763 WKBYSIRTUDXGNZ-GOSISDBHSA-N 353.422 2.680 0 50 FFAA CCc1noc(-c2cccn3c(CNC(=O)CCC4CCCC4)nnc23)n1 169776000 LHMIVUDBVWGHLX-UHFFFAOYSA-N 368.441 2.928 0 50 FFAA CS(=O)(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857688870 SVJCBVKIYQMOOQ-GOSISDBHSA-N 366.527 2.518 0 50 FFAA O=C1C[C@H]2N(Cc3cccc(O)c3)CC[C@]23O[C@@H](c2ccccc2)CN13 1857710151 JUTUQHPXIWZGPE-SBHAEUEKSA-N 350.418 2.667 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857730283 PMIQUZRRQARMTG-PVAVHDDUSA-N 355.482 2.613 0 50 FFAA O=C(NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)C1(O)CCC1 120943449 AYTXWXSECAIIKU-SFHVURJKSA-N 350.418 2.878 0 50 FFAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(CCC3OCCO3)C4)n2)cc1 328606349 REHDNIALAKUWNK-DYESRHJHSA-N 369.465 2.777 0 50 FFAA O=C(c1cnccn1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccc3[nH]ccc3c1)C2 247841935 FSFSXLHNZZWUON-WMZOPIPTSA-N 361.449 2.695 0 50 FFAA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1[nH]cnc1C)C2 248065449 WWVNMOZRYNRFFD-CABCVRRESA-N 371.510 2.572 0 50 FFAA Cc1noc([C@@H]2COCCN2C(=O)Cc2c(Cl)cccc2Cl)n1 155408332 YNVYHGIMKUKJLX-ZDUSSCGKSA-N 356.209 2.827 0 50 FFAA COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C[C@@H](C)N)cc32)c1 261840296 PMNPLMHZLAOVJB-CQSZACIVSA-N 367.449 2.503 0 50 FFAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([C@H]2C[C@H]2C)o1 1875263670 WGDHQTXBFGSAJI-UYVLIPISSA-N 352.434 2.890 0 50 FFAA CCn1ncc(C(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)c1C1CC1 1875270006 ANJNCZIFMLGMNV-UHFFFAOYSA-N 356.817 2.689 0 50 FFAA C[C@@H](NC(=O)NCc1ccc(-c2cc[nH]n2)cc1)[C@@H](O)Cc1ccccc1 1875264518 IIJHFCLHQHMTNE-QRWLVFNGSA-N 364.449 2.868 0 50 FFAA CN(C)CCCC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 1875329109 FBCKYASYXRQWOO-UHFFFAOYSA-N 355.364 2.626 0 50 FFAA Cc1nn(C(C)C)cc1S(=O)(=O)NC(=O)Cc1csc(Cl)c1 1875306495 IIIIUJIODGLVDR-UHFFFAOYSA-N 361.876 2.535 0 50 FFAA CCOC(=O)c1csc([C@@H](C)NC(=O)Cc2cnc3c(C)cccn23)n1 1875300949 XFUCREFBFWMLFB-GFCCVEGCSA-N 372.450 2.696 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)ccc2O1 885604283 TZYHGIXQLHIGFO-CQSZACIVSA-N 365.433 2.896 0 50 FFAA Cc1nc2c(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4C3)ccnc2n1C 2100545417 UNLZRNVVHLKMBW-UHFFFAOYSA-N 372.432 2.865 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cccc(O)n3)C2=O)cc1 2100547406 JADQSORKFLLWJW-OAQYLSRUSA-N 365.433 2.897 0 50 FFAA CC(C)(C)c1noc(CCc2nc(-c3ccc4ncnc(O)c4c3)no2)n1 2325736408 FHRFJNTYYYCSGL-UHFFFAOYSA-N 366.381 2.851 0 50 FFAA COC(=O)c1cc2cc(COC(=O)[C@@H]3CC[C@@H]([C@@H]4CCCO4)O3)ccc2o1 2325781135 OGGFOFLMNHCENX-ULQDDVLXSA-N 374.389 2.989 0 50 FFAA O=S(=O)(N[C@H]1CCCC[C@H]1O)c1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898676 RYZYPQNJVAXKDD-ZWKOTPCHSA-N 371.462 2.763 0 50 FFAA Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC[C@@H]3CC3CCCC3)cc2=O)n1 912072457 QYTVRQBNSBINKQ-MRXNPFEDSA-N 369.469 2.757 0 50 FFAA O=C(Nc1ccccn1)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 794588 YWBYNQIDGROGDX-JKSUJKDBSA-N 365.389 2.939 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(Cl)c(OC)c(Cl)c1)C2 2356135035 MYUGBIHPCZXJBT-ZBEGNZNMSA-N 360.237 2.737 0 50 FFAA O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356142651 BFRDQFRJDDNEJY-FQEVSTJZSA-N 363.421 2.626 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 2979859 XLQRPFIHSSCKPH-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA COc1ccc(CN(C(=O)Nc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4840490 BBUUGUXWYJTBNL-KRWDZBQOSA-N 374.462 2.916 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 6741239 XCYAFTVIJHRRCD-UHFFFAOYSA-N 362.905 2.800 0 50 FFAA Cn1c(C(=O)N2CCN(Cc3ccccc3CO)CC2)cc2ccccc21 55226816 JFLAYGYIHRPQNI-UHFFFAOYSA-N 363.461 2.629 0 50 FFAA COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1 100101950 DOPPUDKQAQOHLY-UHFFFAOYSA-N 370.386 2.623 0 50 FFAA O=C(NC1CCCC1)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 67886594 MXTFUQPQLXIYAS-UHFFFAOYSA-N 372.856 2.674 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1 65363058 TYIKNQGQEIHXAT-UHFFFAOYSA-N 350.344 2.766 0 50 FFAA Cc1cc(N2CCN(C(=O)c3cccs3)CC2)nc(N2CCCCC2)n1 67630211 WDRUTEDVZOAOIX-UHFFFAOYSA-N 371.510 2.799 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 229630028 GWJLTGJUKYBYOS-CHWSQXEVSA-N 359.499 2.759 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 331504394 SZAPDMLQKGSAOX-RHSMWYFYSA-N 359.474 2.567 0 50 FFAA Cc1cccc(NC[C@@H]2CCN(CC(=O)N3CCc4ccccc43)C2)n1 171653371 REFRWKSXTBFBNG-KRWDZBQOSA-N 350.466 2.713 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2nc3cc(F)ccc3o2)CC(=O)N1C 328608367 AEBMBJGCNIADBV-CXAGYDPISA-N 357.389 2.701 0 50 FFAA Cc1ccnc([C@@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)C2CC2)c1 215244668 MJJCLMFUHAYPRY-HNNXBMFYSA-N 368.462 2.888 0 50 FFAA C[C@@H](C1CCN(Cc2c[nH]c(CC3CCCC3)n2)CC1)N1CCN(C)CC1 77453430 XFTOIVCRMRXTQO-SFHVURJKSA-N 373.589 2.990 0 50 FFAA CCc1nccn1CCC(=O)N1CC[C@@H](c2cc(OC)ccc2OC)C1 77523473 KQFGBQIQLWUVNF-OAHLLOKOSA-N 357.454 2.869 0 50 FFAA O=C(N[C@@H](C(=O)NOCc1cccnc1)c1ccccc1)c1ccccc1 153266128 FOXWHESPZQHFII-LJQANCHMSA-N 361.401 2.801 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 238039778 FOTCJYWKCUTSFZ-OAHLLOKOSA-N 357.410 2.510 0 50 FFAA Cc1ncc(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)cn1 15070590 CPDCAEMVZKKQGQ-NRFANRHFSA-N 368.456 2.939 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2cccc(COc3cccc(F)c3)c2)CCO1 262466608 YENKPSFUHCCIQU-GOSISDBHSA-N 373.380 2.720 0 50 FFAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 377835289 SGAVYUMMKBVXJP-QGZVFWFLSA-N 362.311 2.653 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCn3ccc(C)n3)CC2)OC1=O 77438495 GZIBYKADWNRENB-MRXNPFEDSA-N 362.474 2.584 0 50 FFAA CCCc1cc(N2CCCN(C(=O)c3ccco3)CC2)n2nccc2n1 72424036 GOWZUYFJQPNHNP-UHFFFAOYSA-N 353.426 2.627 0 50 FFAA O=C(NCc1ccc(Cn2cccn2)cc1)Nc1cnc2c(c1)COCC2 378518321 KTNVDRPXZAPBAO-UHFFFAOYSA-N 363.421 2.721 0 50 FFAA CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1 44902204 DHTPSUOKRHIKGO-UHFFFAOYSA-N 365.364 2.891 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1=O 82106784 VXIICRAWIXSIPD-UHFFFAOYSA-N 363.417 2.974 0 50 FFAA Cn1ccnc(NC(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)c1=O 287325925 XTJICYOGXJDQFR-UHFFFAOYSA-N 369.400 2.812 0 50 FFAA O[C@@H](c1cc2n(n1)CCN(C1CCN(Cc3ccccc3)CC1)C2)C1CC1 220720527 FNVVFQYPNGLVRM-JOCHJYFZSA-N 366.509 2.807 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)C1 426376328 LKQZQBHQDNWBEY-HNNXBMFYSA-N 352.434 2.951 0 50 FFAA CCCC[C@@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)c1cccnn1 82139006 FEYKCSMJXOIHGV-OAHLLOKOSA-N 368.437 2.533 0 50 FFAA CCc1cc(-c2cccc(C(=O)N3CC[C@@H](N(C)C)C3)c2)nc(N(C)C)n1 426649704 OZFIGHUOUHZXCT-GOSISDBHSA-N 367.497 2.548 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncsc2c1 192469678 WYKISAATXSGECB-AWEZNQCLSA-N 367.496 2.829 0 50 FFAA COc1cccc(OC)c1C(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91860569 BZVORGKBYMUBBK-QGZVFWFLSA-N 355.434 2.901 0 50 FFAA Cn1c(=O)n(C)c2cc(NC(=O)N(CC3CCC3)C[C@@H]3CCCO3)ccc21 96179888 JVZANKDETQJSKU-INIZCTEOSA-N 372.469 2.690 0 50 FFAA COCCCC1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95521373 CJWHHNKOFGEGEJ-UHFFFAOYSA-N 369.465 2.896 0 50 FFAA Cn1ncc(-c2ccccc2)c1NC(=O)NCc1nnc2n1CCCCC2 96132913 FOSSKGVITLMSNU-UHFFFAOYSA-N 365.441 2.727 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1cc(-c3cccnc3)no1)C2 95358475 DQRFBVBGIKPWDQ-OAHLLOKOSA-N 365.389 2.613 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(Cc2cc3cc(C)ccc3[nH]c2=O)C1 91563519 OZHOMDJCJBORSY-NRFANRHFSA-N 372.465 2.930 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2c(C)c(Cl)c(C)[nH]c2=O)C1 91915380 DVTIRYPDVZGXFA-ZDUSSCGKSA-N 362.861 2.881 0 50 FFAA Cc1cc(C)c2c(C(=O)NC(C)C)cc(-c3cnn(CCO)c3)nc2c1 23144803 WWTIYFXYXAOMOX-UHFFFAOYSA-N 352.438 2.846 0 50 FFAA Cc1cc(NCCSc2nncn2C)nc(Nc2cccc(O)c2)n1 92038794 VACWLUBFCHSVIB-UHFFFAOYSA-N 357.443 2.567 0 50 FFAA C[C@H]1CN(C[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)C[C@@H](C)O1 91779360 MJQPFEDERXXYLM-YALNPMBYSA-N 370.896 2.629 0 50 FFAA CN1CCN(CCCOc2ccc(C(N)=O)cc2)C[C@@H]1c1ccccc1 240825185 QNWDCGVQWUTCPV-HXUWFJFHSA-N 353.466 2.543 0 50 FFAA COCC[C@H]1CN(C(=O)NCCc2c(OC)ccc3ccccc23)CCO1 534582457 IUUPUDCMIDHZCJ-KRWDZBQOSA-N 372.465 2.838 0 50 FFAA Cc1nc(CNC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)no1 534664720 GHDBYQAAAFZWQP-UHFFFAOYSA-N 370.240 2.717 0 50 FFAA O=C(NCc1csc2c1CCCC2)N(CCO)Cc1nccs1 534672469 COZQDUOAGWLTEL-UHFFFAOYSA-N 351.497 2.788 0 50 FFAA O=C(NCc1ccon1)c1cccc(-c2ncc(F)c(N3CCCC3)n2)c1 534637861 OODJJWLZMKYBHK-UHFFFAOYSA-N 367.384 2.801 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCC2(Cn3ccnc3C)CC2)n1 299780548 KFWJHXJAEQBFMW-AWEZNQCLSA-N 359.499 2.676 0 50 FFAA C[C@@H](Cc1ccsc1)NC(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1 299764732 DFJZFDPRCUWEMA-ZDUSSCGKSA-N 369.494 2.971 0 50 FFAA Cc1cccc2[nH]c(CCNC(=O)C3(N4CCOCC4)CCCCC3)nc12 299761525 UROJGOKPKOZITP-UHFFFAOYSA-N 370.497 2.565 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)COCC(F)(F)C(F)F)cn1 299756910 DNUDYGLQRHYHNK-UHFFFAOYSA-N 359.323 2.714 0 50 FFAA Cc1ccnc(NC(=O)CCC(=O)NCCCn2ccnc2C(C)C)c1 827814600 BXKLAGLLQMWYAQ-UHFFFAOYSA-N 357.458 2.635 0 50 FFAA Cc1cnc(C)c(N2CCC3(CC2)CN(C(=O)c2cccs2)CCO3)n1 825243060 ZAXGBJJCTOTOPC-UHFFFAOYSA-N 372.494 2.667 0 50 FFAA COCCn1cncc1CNC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 824466089 FTJRPQBQXAPNKV-IBGZPJMESA-N 374.460 2.512 0 50 FFAA COc1nc2c(cc1C(=O)Nc1ccc(CC(=O)NC3CC3)cc1)CCC2 824845430 MRCJVDBRMNCBEU-UHFFFAOYSA-N 365.433 2.652 0 50 FFAA CCn1ncnc1-c1ccc(C(=O)N(C)Cc2csnc2OC)cc1 1353096394 JRYAIQCVIBQLCN-UHFFFAOYSA-N 357.439 2.702 0 50 FFAA C[C@H](C(=O)NCCc1nc2ccccc2o1)c1nnc(O)c2ccccc12 952985753 CTMCDFBEJCOSPF-LBPRGKRZSA-N 362.389 2.939 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)N1C[C@H](CO)[C@@H](CO)C1 1565513839 QCMVPICOEVDJSU-HUUCEWRRSA-N 372.421 2.552 0 50 FFAA COCCN1C(=O)C[C@@H](CNC[C@@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 275275333 JQPIBBNYJXGPIV-MHYXUVESSA-N 374.529 2.538 0 50 FFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CCCCS1(=O)=O 275504007 YPMYHZJZKSBIMZ-KCXAZCMYSA-N 371.886 2.596 0 50 FFAA CC(C)CN1CCC[C@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)C1 277363745 OYQXJWUHXSREOR-MRXNPFEDSA-N 355.482 2.636 0 50 FFAA COc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC 170646565 YIRNTRPHZPPNTK-AWEZNQCLSA-N 364.442 2.785 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@@]12CCCc1ccccc12 170644233 XREQOOJLGKMTIA-OXQOHEQNSA-N 368.506 2.855 0 50 FFAA CN(C(=O)CCc1ccnn1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190440092 ULAVAYVEFQKAAP-WBVHZDCISA-N 368.264 2.776 0 50 FFAA CO[C@@](C)(C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F 192161433 HSPWATGYSJJRJX-BFUOFWGJSA-N 360.433 2.533 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(Cl)ccc3OC)CCN21 1616076511 TVBJXXJYMBYTKO-CABCVRRESA-N 352.862 2.674 0 50 FFAA Cc1cc2cc(C(=O)N3CCCN(CCc4nccn4C)CC3)ccc2o1 1529151531 JNISEAJZCUPDDC-UHFFFAOYSA-N 366.465 2.865 0 50 FFAA CCCC1(CNC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CCC1 1529120059 RQDFDWUUIZVUMA-MOPGFXCFSA-N 371.481 2.599 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3ccc4cccc(OC)c4n3)CCN12 1529159530 TYHIEKPGVHJAAB-RBUKOAKNSA-N 355.482 2.929 0 50 FFAA COc1ccc2c(C)c(C(=O)N(CCN(C)C)Cc3[nH]cnc3C)oc2c1 1704307917 NBGCMMFFXVIWFN-UHFFFAOYSA-N 370.453 2.985 0 50 FFAA Cn1ncc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c1C1CC1 139875450 AZCDCFOJYNCFQU-UHFFFAOYSA-N 356.445 2.785 0 50 FFAA CN1C[C@@]2(C)CN(c3nnc(CSc4ccncc4)o3)C[C@@](C)(C1)C2 1772711206 YBAHEBJICSBCDD-HDICACEKSA-N 359.499 2.925 0 50 FFAA Cc1c(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)[nH]c2c1C(=O)CCC2 1775979774 MLYQEUIEMGNARA-HXUWFJFHSA-N 352.438 2.685 0 50 FFAA Cc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 5814310 INESCUAJGJCAKE-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA O=C(c1ccncc1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 12297221 DJFRUOWBGPDAKY-JOCHJYFZSA-N 363.461 2.779 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)c3cnn(C(C)C)c3)CC2)c1 15063956 POUOQNANTXILLE-UHFFFAOYSA-N 371.481 2.930 0 50 FFAA COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccccc4)ccn3n2)c1 169758205 HSNXVKSFKJGFTH-HXUWFJFHSA-N 361.401 2.905 0 50 FFAA Cc1cc(C)cc(S(=O)(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1 1857685852 XHQJMIWPVMRCFB-UHFFFAOYSA-N 360.479 2.570 0 50 FFAA O=c1cc(-c2ccncc2)[nH]c(-c2ccc(CN3CCCOCC3)cc2)n1 200538044 OFRVKMJREWDXOQ-UHFFFAOYSA-N 362.433 2.721 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](Nc2ccc3c(c2)C(=O)NC3)C1=O 117377254 GXOSOCBTOGSTSC-KRWDZBQOSA-N 353.397 2.985 0 50 FFAA O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cnc2[nH]c(O)nc2c1 809766775 AKCMNRIJTUQVQM-GOSISDBHSA-N 374.400 2.794 0 50 FFAA COc1cccc(-c2nc(C)c(C(=O)N3CCC(=O)C[C@@H]3C3CC3)[nH]2)c1 912189009 LPJCJAQEIBFPJC-QGZVFWFLSA-N 353.422 2.977 0 50 FFAA CCOc1ccc([C@H](O)C2CCN(c3ccc(C(=O)O)nn3)CC2)cc1 844212320 FPCZNDZDHPNZOS-SFHVURJKSA-N 357.410 2.524 0 50 FFAA c1ccc(-c2nc(NCc3nnnn3CC3CC3)c3ccsc3n2)nc1 858486150 KIMGTRBBZUGPBT-UHFFFAOYSA-N 364.438 2.762 0 50 FFAA CN(C)c1nccc2cc(NC(=O)[C@H](c3cscn3)N(C)C)ccc12 1875283774 FKQKOYZVNANHIM-INIZCTEOSA-N 355.467 2.999 0 50 FFAA COc1cc2c(N[C@H](C)c3ccc(OCC(N)=O)cc3)ncnc2cc1F 1875262509 DPCWFRFIYOXWOI-LLVKDONJSA-N 370.384 2.815 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@@H](C(=O)O)C2 1875305586 FWAWPFKNCBQJIW-GVXVVHGQSA-N 356.344 2.982 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1C 1875394292 CRKYGZZMDTYOMQ-WCQYABFASA-N 358.442 2.725 0 50 FFAA Cc1cc(CNC[C@@H]2OB(O)c3ccccc32)ccc1Oc1cccnc1 1875368793 PSZLUKWOPSUKDC-NRFANRHFSA-N 360.222 2.731 0 50 FFAA C=CC(=O)N(C)CC(=O)NC[C@@H](c1ccc(F)cc1Cl)C(F)(F)F 1875380215 IQFNIGKWAUFDHT-NSHDSACASA-N 366.742 2.886 0 50 FFAA CC[C@H]1CCCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1ccon1)C2 1875357990 DZEAGVDECWITBJ-JKSUJKDBSA-N 359.470 2.956 0 50 FFAA O=C(O)[C@@H]1CCCO[C@H]1c1cnn(Cc2ccn(-c3ccccc3)n2)c1 886087874 BIZHAXLBUPSMEH-MSOLQXFVSA-N 352.394 2.669 0 50 FFAA C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H]1CCCc2ccccc21 888101757 SBLXRMBSYZBYQG-TXCZRRACSA-N 364.511 2.760 0 50 FFAA COc1ccc([C@H]2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)cc1O 2049252005 RHKLLNCNCGIVHM-GFCCVEGCSA-N 368.341 2.962 0 50 FFAA CCCCC(=O)N[C@](Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F 19831445 JEFSNYCLVVWYEK-OAHLLOKOSA-N 361.364 2.930 0 50 FFAA CNc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1F 2325760608 HWSQRLYGDOZWNV-UHFFFAOYSA-N 361.442 2.917 0 50 FFAA CC(C)(c1ccc(S(=O)(=O)NC2(CCO)CC2)cc1)C(F)(F)F 2325789071 ICPGAJPHDLKBKE-UHFFFAOYSA-N 351.390 2.720 0 50 FFAA Cc1cccc(-n2ccnc2SCC(=O)NC[C@@H]2CC[C@H](N)C2)c1C 2325795226 RBDZWHBYIVDKOA-CVEARBPZSA-N 358.511 2.825 0 50 FFAA Cc1ccccc1N1C[C@H]([C@H](C)NCCn2nnc3ccccc32)CC1=O 2325807153 FBCZQTGOTOHJLJ-DLBZAZTESA-N 363.465 2.771 0 50 FFAA CCc1ocnc1C(=O)Nc1ccc(N2CCSCC2)c(C(=O)O)c1 2325812953 XHDQCIFCAYPCLZ-UHFFFAOYSA-N 361.423 2.741 0 50 FFAA Cn1c(NC(=O)c2cccc(-c3cccc(CN)c3)c2)nc2c1CCOC2 2325857034 MRRBHPTUNFAOAA-UHFFFAOYSA-N 362.433 2.871 0 50 FFAA Nc1cncc(-c2ccc(C(=O)N3CCC(c4ccncn4)CC3)cc2)n1 2356153491 JFQISPYAWBNYCE-UHFFFAOYSA-N 360.421 2.536 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)C(=O)COc3ccc4ccccc4c3)C[C@H]2CC1=O 2356163403 BHKQECGMMDTSJH-OTWHNJEPSA-N 366.461 2.934 0 50 FFAA O=C(NCCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 4487368 KZUARZOZYGDWSX-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA O=C(O)CNC(=O)CCc1ccc(-c2ccc(Br)cc2)o1 4542725 RHTRATSGFCTQAI-UHFFFAOYSA-N 352.184 2.843 0 50 FFAA COc1ccc2c(c1NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1)CCC2 417778078 UQZMGGGLZQNBFZ-VXGBXAGGSA-N 372.343 2.911 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)N1CCC[C@H](c2ccn[nH]2)C1 114942970 HYSLIZCFLOUQIW-INIZCTEOSA-N 350.426 2.685 0 50 FFAA O=C(CC(=O)Nc1ccc(F)c(Cl)c1)NCc1cc(C2CC2)[nH]n1 55393703 FCTFLZIVSUFPPL-UHFFFAOYSA-N 350.781 2.725 0 50 FFAA Cc1ccccc1NC(=O)CC(=O)NCCC(=O)Nc1ccccc1F 65386279 BODNTYOYAISGFW-UHFFFAOYSA-N 357.385 2.608 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)C[C@@H](C)O1 229659923 JHBOGXSHYUFXOO-YRGRVCCFSA-N 365.503 2.521 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)n[nH]1 65407003 FCISRQGQNJQCCE-FQEVSTJZSA-N 352.438 2.903 0 50 FFAA Cn1nc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)ccc1=O 329487209 RHIWXUBXXYCMOO-KRWDZBQOSA-N 369.465 2.769 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 72151630 KTRYXIWMOOHDII-MRXNPFEDSA-N 370.428 2.578 0 50 FFAA Cn1c(CNC(=O)c2ccc(CO)o2)nc2cc(C(F)(F)F)ccc21 215337095 YVXHIVZVZGZWDV-UHFFFAOYSA-N 353.300 2.607 0 50 FFAA COC(=O)c1cccc(C(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1 77340947 QODBSZMEGAUOIE-UHFFFAOYSA-N 366.417 2.579 0 50 FFAA Cn1cc([C@]2(C)CN(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)CCO2)cn1 281812945 OAMWZSHRFGOXQW-QSFXBCCZSA-N 372.444 2.762 0 50 FFAA CN(c1ncccc1CNC(=O)CCc1cnccn1)C1CCCCC1 39510535 RRPAPKLVJGFKIB-UHFFFAOYSA-N 353.470 2.890 0 50 FFAA Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cn2)c(C)s1 153490852 KRHLALSWXVQRII-UHFFFAOYSA-N 351.453 2.688 0 50 FFAA COc1cccc([C@H](O)C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1 367053414 PZRVSZLXRJANBD-IBGZPJMESA-N 355.438 2.535 0 50 FFAA Oc1cccc(CN2CCN(c3nccc(CCC(F)(F)F)n3)CC2)c1 71416044 XMNFTVBTYOCLRA-UHFFFAOYSA-N 366.387 2.999 0 50 FFAA COc1cccc(CNC(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)n1 376670219 GBNQERFMUFQDSK-CYBMUJFWSA-N 370.457 2.626 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1CCC([C@H](O)Cc2ccccc2)CC1 77554546 CGMCARPPFKYZIP-HXUWFJFHSA-N 357.425 2.916 0 50 FFAA COc1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cc1O 39551836 PKJLJAQZAUJFFI-LJQANCHMSA-N 362.514 2.850 0 50 FFAA c1csc(-c2ncc(CN3CCCO[C@H](Cn4cccn4)C3)cn2)c1 216147064 VMGHDOANNRGIGW-INIZCTEOSA-N 355.467 2.693 0 50 FFAA CC(C)NC(=O)N1CCc2ncnc(NCCc3cccs3)c2CC1 72440862 BWPFPBUCIOQGPG-UHFFFAOYSA-N 359.499 2.711 0 50 FFAA O=C1CN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2N1 172713744 WDPGUKBDGGWQIS-KGLIPLIRSA-N 350.374 2.547 0 50 FFAA Cc1nnc(CCNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)s1 72475758 RPIWVJWUTIYJQK-UHFFFAOYSA-N 355.467 2.550 0 50 FFAA Cc1cc([C@H]2CCCN(C(=O)Nc3cc([C@H]4CCCO4)nn3C)C2)[nH]n1 283588958 LOGACGSQYPHKJU-XJKSGUPXSA-N 358.446 2.715 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)cc1Cl 82139236 RSWVJWPBXCDCPE-CQSZACIVSA-N 373.902 2.963 0 50 FFAA C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1)n1cc(Cl)cn1 82126779 VZCJAXLDZZWUTO-LLVKDONJSA-N 367.236 2.626 0 50 FFAA Cn1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)s3)CC2=O)cn1 177827838 CBWVZSKRFJONTK-UHFFFAOYSA-N 366.446 2.638 0 50 FFAA C[C@]1(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)CCS(=O)(=O)C1 426662444 QGGMNSTWQZWGQL-IBGZPJMESA-N 369.446 2.537 0 50 FFAA CNc1ncc(-c2cc(C(=O)N(C)CCOC)c3ccc(F)cc3n2)cn1 19148142 JVILPNKNTWWJNX-UHFFFAOYSA-N 369.400 2.591 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)NCCc1nc(C(=O)O)cs1 426397636 UAZODUXXEPQPCC-UHFFFAOYSA-N 372.450 2.502 0 50 FFAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccc2c(c1)S(=O)(=O)CC2 178061180 KZXFGQGQRGXAAL-QGZVFWFLSA-N 357.431 2.659 0 50 FFAA O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1COCCN1 237888587 RWZRIZXJRGFNFV-CYBMUJFWSA-N 371.384 2.680 0 50 FFAA CCCN1CCC(CNC(=O)N2CCC(OCc3cccnc3)CC2)CC1 426494494 YPNHERWKAVXLDB-UHFFFAOYSA-N 374.529 2.894 0 50 FFAA Cc1ccccc1OC1CN(C(=O)c2cn3c4c(cccc4c2=O)CC3)C1 91649826 HWJBJIQHMLZMDA-UHFFFAOYSA-N 360.413 2.769 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nncn1C1CCCC1 91494037 QKOGSUMPVXPRCV-AWEZNQCLSA-N 373.501 2.609 0 50 FFAA O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)nc1 97745003 XLTSCFLOHPIKRZ-KRWDZBQOSA-N 363.421 2.699 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc(Cn2cccn2)o1 95356379 XWUUAYWCTZLNLQ-UHFFFAOYSA-N 363.377 2.847 0 50 FFAA CCc1cc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)nc(N2CCCC2)n1 91536126 ORIHDBZBADHDKK-IERDGZPVSA-N 374.529 2.643 0 50 FFAA COc1ccnc(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 91381649 WTOFJBRLAHGTBK-UHFFFAOYSA-N 350.426 2.509 0 50 FFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)CC2 292516206 FFZQXLUHMSXFJK-RDTXWAMCSA-N 364.511 2.873 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)NCCCn3ccnc3C)C2)c1OC 426490443 YJFNUKSSTJGVLG-INIZCTEOSA-N 372.469 2.798 0 50 FFAA COc1ccc(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 91664072 JKFOKQAXIOSPAY-UHFFFAOYSA-N 373.840 2.907 0 50 FFAA COc1cccc(SCC(=O)N2C[C@@H](C(=O)O)[C@H](c3cccnc3)C2)c1 91593742 UEZKSEYETZBARK-DLBZAZTESA-N 372.446 2.509 0 50 FFAA Cc1nc(CCNC(=O)c2cccc([C@H]3CCCNC3)c2)nc2c1CCC2 95362034 RIEFJZUABVMDCA-SFHVURJKSA-N 364.493 2.713 0 50 FFAA O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91770654 DQCYDIBCEMHWDX-GOEBONIOSA-N 367.478 2.527 0 50 FFAA O=C(CN1CCN(C2CCSCC2)CC1)Nc1ccc(Cl)cc1F 244852620 UVUSJPQYROQWLI-UHFFFAOYSA-N 371.909 2.931 0 50 FFAA CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 245257215 XBVODWZAVJNKIW-ULQDDVLXSA-N 367.534 2.918 0 50 FFAA COc1cncc([C@@H](NC(=O)Cc2ccc(F)cc2F)[C@H]2C[C@H](O)C2)c1 244633324 GAZPSZQPXRXLHA-ODYMNIRHSA-N 362.376 2.539 0 50 FFAA CCC[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)CC2)c1nccn1C 243893392 AQTGQMIIYPIXFR-MRXNPFEDSA-N 350.422 2.562 0 50 FFAA CN1CCN(c2cccc(NC(=O)NCCCNc3cccnc3)c2)C1=O 252494872 OHBNBSILMUKBNQ-UHFFFAOYSA-N 368.441 2.577 0 50 FFAA COc1cccc(N2CCN(C(=O)NCCCc3ccco3)[C@@H](C)C2=O)c1 534574574 YTUYNAWLRMXBNI-HNNXBMFYSA-N 371.437 2.668 0 50 FFAA Cc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 299765814 BPQGDHMXZVNLEF-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA Cn1ccc2ccc(CN3CCn4nc(CNc5ncccn5)cc4C3)cc21 299784717 UTXDFFYZVZVDPA-UHFFFAOYSA-N 373.464 2.793 0 50 FFAA CCc1nc(C)sc1C(=O)N(CCN1CCOCC1)Cc1ccco1 299759548 OKVSPVVMUDXRCN-UHFFFAOYSA-N 363.483 2.582 0 50 FFAA O=C(Cn1ccc2ccccc21)N[C@H]1CCCN(C(=O)c2ccco2)C1 827860799 IOSOMJMEHLWCSE-INIZCTEOSA-N 351.406 2.655 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cnc2cccnc2c1 66054314 UOFSYRFWXPOPPR-UONOGXRCSA-N 357.410 2.753 0 50 FFAA in-vitro COc1ccc(F)cc1CNC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 952991186 ZMLJWPHVPJESIC-BAUKFBFWSA-N 357.433 2.659 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)c1ccc(N2CCOCC2)c(C)c1 952971194 MQEKCBYGPISSMT-UHFFFAOYSA-N 356.470 2.710 0 50 FFAA c1ccc(Oc2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)cc1 278572915 BZPJYCFEFAORJD-UHFFFAOYSA-N 366.425 2.541 0 50 FFAA COC(=O)[C@@H](CCOC(C)C)NC(=O)c1ccccc1OC(F)(F)F 170605779 DEBNOSOZRXMHOM-GFCCVEGCSA-N 363.332 2.672 0 50 FFAA Cc1cccn2c(=O)cc(CS(=O)(=O)[C@@H]3CCCc4ccccc43)nc12 194370524 DOXFAHQXBMUTBJ-GOSISDBHSA-N 368.458 2.995 0 50 FFAA CN(CC1(O)CCOCC1)c1nc(-c2ccncc2)nc2ccccc12 780631267 OPIGJKWJKMTSOM-UHFFFAOYSA-N 350.422 2.670 0 50 FFAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 210344125 SGUNSKMFHHZTSI-RISCZKNCSA-N 363.797 2.739 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC12CCOCC2 1800410573 VXIVQILEUUROQQ-AWEZNQCLSA-N 371.355 2.588 0 50 FFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2cccnc2)cc1 11791413 GUMVMUJWXHWPJQ-LJQANCHMSA-N 367.449 2.539 0 50 FFAA O=C(/C=C/c1ccccn1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12318543 GDLRXJRSAVONOV-KOEDOTQGSA-N 365.433 2.969 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c(OC)n1 12442550 RQDRGDBANLDWJX-QGZVFWFLSA-N 369.465 2.536 0 50 FFAA COc1cccc(NC(=O)[C@@H](C(C)C)n2c(=O)[nH]c3ccccc3c2=O)c1 13549049 HGHQOEUVKUMVFT-QGZVFWFLSA-N 367.405 2.534 0 50 FFAA COc1cc(C(=O)NCCCN2CCCCCC2)cc(OC)c1OC 13674864 IBDSMOXOCGXVRZ-UHFFFAOYSA-N 350.459 2.708 0 50 FFAA CCCCN[C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14753995 IUMMANDIVBVHAJ-QGZVFWFLSA-N 354.498 2.880 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cn(CCc2ccccc2)nn1 14951888 GMUBNYCJLAJYRO-FQEVSTJZSA-N 364.449 2.717 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2cncs2)CC1 14967554 RNFGKOYCBOFENZ-UHFFFAOYSA-N 361.471 2.802 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCO[C@H](CCCc2ccccc2)C1 15072544 ZCDKSKIZZWZPOB-LJQANCHMSA-N 358.482 2.639 0 50 FFAA O=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1 19929661 LYGSFLOOLWYEHI-UHFFFAOYSA-N 360.479 2.775 0 50 FFAA Cc1cc(C)cc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1 169752717 HUDOLEXJOQWQHE-UHFFFAOYSA-N 363.421 2.573 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCNCC1 1857708309 MZFQEBBUMFOLGL-CYBMUJFWSA-N 362.861 2.520 0 50 FFAA CC(C)Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2ccc(F)c(Cl)c2)n1 1857724969 HHUCMUFBGLJRFM-COLVAYQJSA-N 352.841 2.824 0 50 FFAA Cn1nccc1C1=CCN(S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 329065914 LEMXSFVBVSMPIM-UHFFFAOYSA-N 373.478 2.612 0 50 FFAA CC(C)(C)c1cnc(CNC(=O)NC2CCN(C(=O)c3ccoc3)CC2)o1 266946142 JDQHINCAIQNAAI-UHFFFAOYSA-N 374.441 2.669 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CN[C@H](c1ccccc1)c1ncc[nH]1 858008728 WJVXJRYDYPYCKF-RCCFBDPRSA-N 351.454 2.990 0 50 FFAA CCc1nc(CN2CCC[C@@H](Nc3ncnc(-c4ccccc4)n3)C2)no1 1875270205 OJOWVXRAIRFECU-OAHLLOKOSA-N 365.441 2.561 0 50 FFAA CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccn(CCF)n1 1875272255 YRDIMJOXVFQYKH-ZDUSSCGKSA-N 353.195 2.811 0 50 FFAA C[C@@H](NC(=O)[C@H](N)Cc1n[nH]c2ccccc12)c1cccc2cccnc12 1875348118 XXMCHCAQJUXUKG-CXAGYDPISA-N 359.433 2.858 0 50 FFAA CC[C@@H]1CCCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1ccon1)C2 1875357989 DZEAGVDECWITBJ-HZPDHXFCSA-N 359.470 2.956 0 50 FFAA CC1(C)[C@H](C(=O)O)CCN1S(=O)(=O)c1cccc([C@@H]2CC2(F)F)c1 1875395428 XIPLDCXWABGVSK-STQMWFEESA-N 359.394 2.683 0 50 FFAA CCn1nc(C(=O)N(C)CCN(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]23)cc1C1CC1 2325794448 CBRUEBWVEHZDDA-ULQDDVLXSA-N 372.513 2.747 0 50 FFAA CC[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1)C(C)(F)F 2325842700 FXXVTMCRYRGCIR-VXGBXAGGSA-N 356.417 2.545 0 50 FFAA CCC(=O)N(C)Cc1ccc(CNC(=O)Cc2cc(C3CC3)on2)cc1 2325867529 ZCURXBPJLGEFKR-UHFFFAOYSA-N 355.438 2.779 0 50 FFAA Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1NC(=O)Cn1c(C)ccc1C 2325870648 JBROSBKGJNONRN-RBUKOAKNSA-N 353.466 2.881 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)C1 2325888574 GWHIXQLZZVNVLO-INIZCTEOSA-N 369.465 2.594 0 50 FFAA O=C(O)c1ccc2c(c1)N(C(=O)CC[C@@H]1Cc3ccccc3NC1=O)CC2 908047592 MPULWSIFWHTMBS-OAHLLOKOSA-N 364.401 2.865 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 645239 YKRWRIZHVJSBLF-UHFFFAOYSA-N 374.462 2.740 0 50 FFAA NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 898124 WRDWCHVWULRSLF-UHFFFAOYSA-N 366.442 2.931 0 50 FFAA O=C([C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 953266 QLODJHACSILFLB-MRXNPFEDSA-N 370.902 2.896 0 50 FFAA COc1ccc(C2(CNC(=O)COc3ccccc3)CCOCC2)cc1 987565 OEHLVIAGAAZWKQ-UHFFFAOYSA-N 355.434 2.939 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 2873691 CCSMEARPLCFSMN-CQSZACIVSA-N 374.462 2.991 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 2877663 JBDPXSSBWLUGDK-IRXDYDNUSA-N 360.410 2.746 0 50 FFAA Cc1cc(CC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc(C)n1 2356147461 XLLCIAWFSPQNHY-NRFANRHFSA-N 350.466 2.846 0 50 FFAA CC(C)c1nccc(CN2CC[C@H](O)[C@@](CO)(Cc3ccc(F)cc3)C2)n1 2356147847 STSXBRAINXFNMD-FPOVZHCZSA-N 373.472 2.527 0 50 FFAA Cc1nc2ccc(CC(=O)N3CCC[C@@]34CCCN(C(C)C)C4=O)cc2[nH]1 2356152665 URNYJWQXUISNTN-OAQYLSRUSA-N 368.481 2.806 0 50 FFAA O=C(c1ccc2ccccn12)N1CCC2(CC1)Nc1ccccc1NC2=O 2356163226 SQDKMNRUKDVURG-UHFFFAOYSA-N 360.417 2.978 0 50 FFAA O=C(CCn1c(=O)oc2cc(Br)ccc21)NCc1ccco1 4838211 ONPSGALXUWLZQR-UHFFFAOYSA-N 365.183 2.657 0 50 FFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9048971 QWWYXFZMCMYJIX-OAHLLOKOSA-N 354.429 2.589 0 50 FFAA COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(O)c2)n1C 9095967 VGFKJENKIMJJRB-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA COc1ccccc1NC(=O)CCNC(=O)CCN1CCCCCCC1 55413190 ZIHOKPMLPUHJQH-UHFFFAOYSA-N 361.486 2.796 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1C 107100217 KMXZCAILVLXBJN-IBGZPJMESA-N 374.504 2.728 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1C 67602189 BSTNXWHWKZIOBY-SFHVURJKSA-N 366.527 2.932 0 50 FFAA Cc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)nc(N2CCCC2)n1 64800344 NMEVHDBAMFBDOA-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA Cc1ccccc1CS(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1 65365868 BVNRHZWSOFCQDS-UHFFFAOYSA-N 359.495 2.689 0 50 FFAA CCN1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)CC1 24950669 DXROJWUJNFNTRQ-FQEVSTJZSA-N 357.523 2.900 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 23339966 UGFRQICBJGEBOS-IBGZPJMESA-N 355.526 2.684 0 50 FFAA O=S(=O)(Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1)c1cnc2n1CCC2 330038941 BRXBNPQIEWKUGR-SDDRHHMPSA-N 364.496 2.990 0 50 FFAA CC(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1 139477283 IOWLWBIJXXZAQY-UHFFFAOYSA-N 351.450 2.958 0 50 FFAA Cc1nc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccs3)cn2n1 281080297 CMXMABYPIXTVSJ-AWEZNQCLSA-N 369.450 2.733 0 50 FFAA CN(C)CCCN1C(=O)CC[C@@H]2CN(Cc3ccc(F)cc3F)CC[C@@H]21 12165420 BTGVBCYJQKXJJX-APWZRJJASA-N 365.468 2.729 0 50 FFAA Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)cc1 12432104 ROWWPINCJYOEBL-FQEVSTJZSA-N 371.525 2.724 0 50 FFAA Cc1cc(S(=O)(=O)NCc2ccc(C(=O)N(C)C)cc2)sc1Cl 252491902 LYYOHNUWCMWZRV-UHFFFAOYSA-N 372.899 2.890 0 50 FFAA O=C(C[C@@H]1CCOc2ccccc21)N1CCC(C(=O)N2CCCC2)CC1 172042452 OLYTXIGGHMXJII-KRWDZBQOSA-N 356.466 2.804 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)C)c2ccccc2)C1 65362894 SGNJBPBRIFCHGO-MSOLQXFVSA-N 366.527 2.952 0 50 FFAA CC(C)c1cc(NC[C@@H](c2ccccn2)N2CCOCC2)n2nccc2n1 72458612 WXVJTOGEVBMMAH-SFHVURJKSA-N 366.469 2.733 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)c1cc(C2CC(N)C2)nc(N)n1 219898062 STHKREXFSUSQMN-UHFFFAOYSA-N 350.426 2.555 0 50 FFAA CCC(CC)N(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C 72130671 YKWGTSPNCXGFLU-LJQANCHMSA-N 359.514 2.723 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(c2nccc(CCC(F)(F)F)n2)CC1 71575221 BMADOVRLNMJQLQ-CQSZACIVSA-N 369.391 2.655 0 50 FFAA C[C@](CO)(CNC(=O)c1ccc(OCC(F)F)nc1)Cc1ccccc1 240540916 GQFJKDYKSKEPRB-LJQANCHMSA-N 364.392 2.697 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 77523370 OWYLHUHFFHRGDH-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(S(=O)(=O)N2CCCCCC2)CC1 72143478 JLEXCFKAGYXLNT-UHFFFAOYSA-N 364.511 2.730 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 72432064 SOWYLCFWIRFYBN-UHFFFAOYSA-N 368.481 2.537 0 50 FFAA C[C@H](NC(=O)NCc1cccnc1N(C)C)c1nc(C2CCCC2)no1 173838999 LIONPLSBMSSJQB-LBPRGKRZSA-N 358.446 2.749 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72421825 ZXQSYSGJTNMQBA-UHFFFAOYSA-N 362.470 2.741 0 50 FFAA CC(C)c1nnc(CN2C[C@H](COc3ccccc3)OC(C)(C)C2)n1C 284468126 FQDIVRNFZOIDSN-QGZVFWFLSA-N 358.486 2.997 0 50 FFAA CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1c(F)cccc1Cl 133138885 UKTSAYBHSCNHJJ-CQSZACIVSA-N 357.838 2.911 0 50 FFAA COCc1ncc(-c2noc([C@H]3CCc4cc(C)ccc4O3)n2)c(N)n1 288943244 APEKEZQLTFTPAW-CQSZACIVSA-N 353.382 2.630 0 50 FFAA CNC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3cn(-c4ccccc4)cn3)cc2)C1 223869881 VINVWXREFYELDP-GOSISDBHSA-N 374.444 2.747 0 50 FFAA O=C(c1ccccn1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 19739583 HUNRBCUBUUCOJD-UHFFFAOYSA-N 351.385 2.957 0 50 FFAA O=C1Nc2ccccc2NC12CCN(Cc1cc(=O)c3ccccc3[nH]1)CC2 82133419 VNINAQUQEXEYLT-UHFFFAOYSA-N 374.444 2.927 0 50 FFAA O[C@@H](c1cc2n(n1)CCCN(CCn1cnc3ccccc31)C2)C1CC1 222584597 NLYUGJIDGLIRTQ-HXUWFJFHSA-N 351.454 2.582 0 50 FFAA Cc1nnsc1CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 291872404 JXUMQSCUSGYXJD-INIZCTEOSA-N 358.467 2.740 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2ccccc2C)CC1=O 82098720 QHLUXZFBQHDNRB-UHFFFAOYSA-N 352.434 2.812 0 50 FFAA CNC[C@H]1CCN(C(=O)/C=C/c2cc(Br)ccc2OC)C1 178977468 NCTNJSRETJWXEV-MJRJWQSSSA-N 353.260 2.539 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CC(N4CCCC[C@H]4C)C3)c2)nc(N)n1 426529499 WWLTUSIZXYJYMY-OAHLLOKOSA-N 365.481 2.733 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc3c(Cl)cccc3n1C)CC2 426536590 ZDFGOUVWWXESBN-OYYNGEPBSA-N 362.857 2.976 0 50 FFAA O=C(C1CCC1)N1C[C@H](C2CC2)[C@@H](Nc2nccc(C(F)(F)F)n2)C1 92077913 QUEQJUUQFMJTMI-OLZOCXBDSA-N 354.376 2.944 0 50 FFAA Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239025413 BODRQXFVWRTZSH-BVBVUKCESA-N 364.445 2.685 0 50 FFAA O=C(CCNC(=O)c1ccc([C@@H]2CCCO2)s1)Nc1nccs1 97637842 STKUTLQOVHGGPE-JTQLQIEISA-N 351.453 2.815 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 95501730 CFINTRGHGXDAIK-HNNXBMFYSA-N 366.465 2.880 0 50 FFAA COc1cc2c(cc1Cn1cc(-c3cnc(C(C)C)nc3)nn1)OCCO2 91381026 DOMQBUGYTHOEDA-UHFFFAOYSA-N 367.409 2.687 0 50 FFAA C[C@](N)(Cc1ccccc1)c1nc(C2(c3ccccc3)CC2)nn1CCO 96150667 HCACEFXGMQADHE-NRFANRHFSA-N 362.477 2.767 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(Cc1nc3ccccc3[nH]1)C2 91966210 XKEYJOXMBHXJQV-NVXWUHKLSA-N 361.449 2.695 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(=O)O)cc2)C[C@H]1C(=O)O 91452640 SBVWHGCYANBDMK-DLBZAZTESA-N 353.374 2.634 0 50 FFAA Cc1cc(C)nc(N2CCC(NC[C@@H](CO)Cc3ccsc3)CC2)n1 95497565 SMYBTOXGYXRCMW-KRWDZBQOSA-N 360.527 2.565 0 50 FFAA CCCC(=O)C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95370568 AOTYQVCEMIGHHU-QXAKKESOSA-N 362.420 2.723 0 50 FFAA Cc1n[nH]c(CN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)c1Cl 91986545 CMKROLJZWWJLSD-GOSISDBHSA-N 350.894 2.986 0 50 FFAA COc1c[nH]c(-c2nc(Cc3cccs3)nn2CC(F)(F)F)cc1=O 96140002 PRIYRCLERUYLQW-UHFFFAOYSA-N 370.356 2.857 0 50 FFAA CN(C)C(=O)CCc1cccc(NC(=O)N(C)Cc2noc(C3CC3)n2)c1 96166991 SGEKXRFYLRSIHV-UHFFFAOYSA-N 371.441 2.632 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244900166 ZXHKLAMOWGPURV-MNVSYLFESA-N 350.422 2.519 0 50 FFAA O=C(c1nnc2n1CCCC2)N1CCC(c2nc3ccccc3o2)CC1 244594282 DJXWHLYDYOFZKG-UHFFFAOYSA-N 351.410 2.775 0 50 FFAA O=C(Nc1ccnnc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 297352223 GQVIDPHVINHDED-UHFFFAOYSA-N 351.454 2.997 0 50 FFAA CC1(CNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CCNCC1 183375578 IYSVVSIDVYNTTM-UHFFFAOYSA-N 374.435 2.759 0 50 FFAA CC(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1 298675038 DUGPZJCEKNMPPP-OKILXGFUSA-N 368.437 2.906 0 50 FFAA COCC1(NC(=O)N2CCN(c3ccccc3OC)C[C@H]2C)CCCC1 534591665 NXTMRPLESRTYQK-MRXNPFEDSA-N 361.486 2.875 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccccc1OC(F)F)C2 299768442 NSWBDEBOTJQSFS-UHFFFAOYSA-N 364.396 2.527 0 50 FFAA Cc1cc2c(C)nc(NC(=O)CCS(=O)(=O)c3ccccc3)nc2o1 1940194764 NFGAGUWQYPKDHZ-UHFFFAOYSA-N 359.407 2.642 0 50 FFAA COc1cnc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)cc1O 299759677 QDZUQGUQAPYZQJ-ZDUSSCGKSA-N 360.385 2.866 0 50 FFAA CC[C@H](NC(=O)NCCNC(=O)c1cccnc1)c1ccc(C)cc1C 584902917 GWCLZOKIJLRSEI-SFHVURJKSA-N 354.454 2.879 0 50 FFAA Cc1cnc2c(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)cnn2c1 900453610 MCUJYFVMWIBERI-UHFFFAOYSA-N 363.421 2.834 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)NCCC(=O)Nc1ccccc1C 670441099 KSVAWIJEJICQDR-UHFFFAOYSA-N 362.451 2.619 0 50 FFAA CN1C(=O)Cc2cc(CNC(=O)N3CCCc4ccccc4CC3)ccc21 1342635559 UMGJWHTYUQLMKI-UHFFFAOYSA-N 363.461 2.906 0 50 FFAA Cn1nccc1C(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565525481 QWXCYRYZUOHJFC-MOPGFXCFSA-N 352.482 2.589 0 50 FFAA Cc1ncsc1C(=O)NC[C@@H]1CCCN(Cc2nnc(C(C)C)o2)C1 952964836 ORNKDHUDWYJICK-ZDUSSCGKSA-N 363.487 2.600 0 50 FFAA Cc1cc2occ(C(=O)N3CCCC[C@H]3C(=O)N3CCOCC3)c2cc1C 185584485 KLODSRFTIJMAMV-SFHVURJKSA-N 370.449 2.903 0 50 FFAA O=C(c1csc(-c2cnccn2)n1)N1CCCN(c2ccccc2)CC1 170842285 VFCVSMJEXKBIHA-UHFFFAOYSA-N 365.462 2.953 0 50 FFAA O=C1CCc2cc(S(=O)(=O)N3CC4(CC4)c4ccccc43)c(F)cc2N1 408211141 MVKJCKHJXNYURH-UHFFFAOYSA-N 372.421 2.951 0 50 FFAA Cc1nc(S(=O)(=O)NC(=O)[C@@H]2CCCc3ccccc32)sc1C 408501646 RNFZMOXBLDRZKM-CQSZACIVSA-N 350.465 2.685 0 50 FFAA O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC[C@H](Nc2ccccc2)C1 193724289 YLRMEVPUJSVVDQ-HNNXBMFYSA-N 358.829 2.777 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)/C=C/c2cnc(N)nc2)c2cccnc2)c1 1506421238 FTPQWRKIAMUDTG-DUIUGDAFSA-N 359.433 2.990 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3O)C2)n1 1506421574 QPZWYFHUCMLOLT-ZDUSSCGKSA-N 371.441 2.661 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCCN(Cc2nc3ccccc3s2)CC1 1529152847 ZPVMXCYMGZYLSL-UHFFFAOYSA-N 355.467 2.676 0 50 FFAA Cc1[nH]nc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)c1Cl 1529113270 DKVVKKNZDKEGGU-RDTXWAMCSA-N 356.857 2.955 0 50 FFAA COc1ccc(C(=O)N2CCCN(C(=O)[C@H]3CC34CCC4)CC2)c(C)c1 1704338170 MQQFGQPJJFBLDB-GOSISDBHSA-N 356.466 2.868 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 11945591 KHVIZCOLCNTHCS-MRXNPFEDSA-N 367.371 2.831 0 50 FFAA COc1ccccc1NC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 12572210 PZRNIXYQUJAGMD-HNNXBMFYSA-N 357.385 2.757 0 50 FFAA Cc1cc(Br)ccc1-c1ccc(CNCCNCCO)o1 19200317 GMBJVQOKLKWTAK-UHFFFAOYSA-N 353.260 2.689 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1OC 19235024 GNSUABQUHWKAGE-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA O=C(CC1=CCCC1)N1CCC[C@]2(C1)CN(c1ccncc1)CC[C@H]2O 1857689550 SCTORLIBXHCCRV-TZIWHRDSSA-N 355.482 2.762 0 50 FFAA NCc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Br)C2)o1 237956408 LPYNECLAGCFSCW-OAHLLOKOSA-N 365.227 2.715 0 50 FFAA CN(C)c1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)cc1 19902685 HFWIBNGPTDQELD-MRXNPFEDSA-N 370.430 2.875 0 50 FFAA CC[C@H](C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1)C1CCC(C)CC1 909986389 IZIWDYAPRZJMCQ-XUJLQICISA-N 362.474 2.992 0 50 FFAA CC(C)c1ccoc1C(=O)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818493807 DRDGJHUAFAUUMA-LJQANCHMSA-N 359.426 2.873 0 50 FFAA O=C(N[C@@H](CO)c1cccc(O)c1)c1c[nH]nc1-c1ccc(Cl)cc1 1875342558 XMFBNTJKTHZWLC-INIZCTEOSA-N 357.797 2.899 0 50 FFAA Cn1c(CNC(=O)N2CCC[C@@](C)(CO)C2)nc2cccc(Cl)c21 1320719342 DOYQKVMGRGUYRQ-QGZVFWFLSA-N 350.850 2.531 0 50 FFAA CC(C)(C)NC(=O)c1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 1211337 NXMMGKCWIKUXOJ-UHFFFAOYSA-N 366.373 2.714 0 50 FFAA COc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)cc1 2325781389 LUZGWECJCKPCBJ-UHFFFAOYSA-N 355.394 2.846 0 50 FFAA Cc1ccc(-c2nc(CN3C(=O)CCN(c4cnn(C)c4)C3=O)cs2)o1 2325783533 DSPBZQNELPUPKV-UHFFFAOYSA-N 371.422 2.804 0 50 FFAA CCn1cc(N=c2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cs2)cn1 2325823742 CLMQDASVZCLASQ-UHFFFAOYSA-N 363.468 2.564 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C3CN(C4CCOCC4)C3)cc2)c1C 897812934 OAOGJXUDGCNSQH-UHFFFAOYSA-N 354.454 2.538 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O 1072409 CNJHOZIWVLRYEY-OAHLLOKOSA-N 352.390 2.889 0 50 FFAA CCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 2346613 GNSODKURJAKPKP-UHFFFAOYSA-N 358.467 2.558 0 50 FFAA COC(=O)c1nn(-c2ccc(C)cc2C)c(Br)c1C(=O)OC 2519840 MTKYCHKOLUXKOC-UHFFFAOYSA-N 367.199 2.825 0 50 FFAA Cc1c(C(=O)N2CCN(C)CC2)oc2c1C1(CCC2)SCCS1 4854942 OJUAKIHBZTXROD-UHFFFAOYSA-N 352.525 2.945 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 6698995 ITEXVYWKSNIYLG-UHFFFAOYSA-N 363.801 2.932 0 50 FFAA Cc1csc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)n1 8748301 RLCPHRFZIIZPBC-UHFFFAOYSA-N 359.480 2.884 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 54530042 SYFQZWJKKGGAOM-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA CCNC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 67622294 NCAKDKLWGUVMQP-UHFFFAOYSA-N 350.415 2.542 0 50 FFAA CC1(C)C[C@H](C(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)CCO1 65398068 JIQCMRWSGLHGDC-OAHLLOKOSA-N 369.469 2.709 0 50 FFAA O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(-n2cnnn2)cc1 27140407 QVMBLSUCXUQIKC-UHFFFAOYSA-N 362.437 2.901 0 50 FFAA COc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](CCc3ccccc3)O2)cn1 65530347 CMRQNUQEEPGBTJ-QYZOEREBSA-N 355.438 2.843 0 50 FFAA O=C(C[C@@H]1N=C(O)c2ccccc2N=C1O)NCCc1ccc(F)cc1 20731605 UPXPNPVFLNWFNU-INIZCTEOSA-N 355.369 2.850 0 50 FFAA Cc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCOCC3)c2)c1 65364425 BLHHYXUBDXSHPS-UHFFFAOYSA-N 353.422 2.518 0 50 FFAA OC[C@]1(Cc2ccccc2F)CCCN(c2nnnn2-c2ccccc2)C1 67919734 QDUFAHZPWYMSEW-FQEVSTJZSA-N 367.428 2.623 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 67856877 RLMZHLXHJLLKAZ-CQSZACIVSA-N 362.437 2.651 0 50 FFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@H](NCc1ccc3c(c1)OCO3)C2 67872573 CVHUVYIAEBSIAV-AWEZNQCLSA-N 371.437 2.613 0 50 FFAA Cc1cccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1 67982991 GXLBIIHSDVEAOO-JOCHJYFZSA-N 352.478 2.681 0 50 FFAA O=S(=O)(CCc1cccs1)NCc1cccc(Cn2ccnc2)c1 252479025 AZQPIJAOVJYAMM-UHFFFAOYSA-N 361.492 2.655 0 50 FFAA Cc1nnc(NC(=O)[C@@]2(C)CC2(Br)Br)s1 2771525 URNXREVWOAMTDN-SSDOTTSWSA-N 355.055 2.681 0 50 FFAA CCCc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)cs1 328633928 SWMBBENAWUMJSI-RDTXWAMCSA-N 361.515 2.508 0 50 FFAA CC(C)Nc1ccnc(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)n1 72474085 BIIBKUPFGWTNSS-QGZVFWFLSA-N 373.476 2.509 0 50 FFAA O=C(CCCn1cccn1)N1CCCN(CCCc2ccccc2)CC1 77490120 NBYXSYBGBZGLAJ-UHFFFAOYSA-N 354.498 2.830 0 50 FFAA COC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccnn1C 72142947 YDPPPKDNIQHIRL-AWEZNQCLSA-N 355.446 2.554 0 50 FFAA Cc1c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C(=O)O)oc2ccc(F)cc12 332210609 GHSVIASTMJPJAL-OTYXRUKQSA-N 355.387 2.754 0 50 FFAA O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 79144928 RFLVOUDRSYYZPK-SFTDATJTSA-N 367.493 2.554 0 50 FFAA Cc1onc(OC(F)F)c1NC(=O)c1cnn(-c2ccc(F)cc2)n1 253432527 KXDCEVRTXZCFID-UHFFFAOYSA-N 353.260 2.557 0 50 FFAA C[C@@H]1[C@@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc2nc(O)oc2c1 332668018 YPXVTICOZBPZPA-SCZZXKLOSA-N 364.345 2.885 0 50 FFAA CN(C)c1cccc(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)c1 72156802 UWSMCEOEHQQACD-RTWAWAEBSA-N 351.494 2.579 0 50 FFAA Cc1ccccc1C1(CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)CC1 153994989 PIBSAWGAKCKFCF-QGZVFWFLSA-N 355.413 2.692 0 50 FFAA O=C1OC2(CCN(CC[C@@H]3CCOC3)CC2)CN1CCOc1ccccc1 77555030 QLKOXNJKFUKJBU-GOSISDBHSA-N 374.481 2.779 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2c2nc(C(C)(C)NS(C)(=O)=O)no2)o1 365770025 RGSSEQIUKVGIAQ-RHYQMDGZSA-N 365.455 2.841 0 50 FFAA NCCN1C(=O)CC[C@H]2CN(Cc3ccc(-c4ccco4)cc3)CC[C@H]21 72478021 LKAFIILSYIANAK-RBUKOAKNSA-N 353.466 2.718 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1cccc(OC)c1 72476964 DJQSNHHZKFYPAK-HXUWFJFHSA-N 373.541 2.550 0 50 FFAA Cc1ccc(-n2cc(C(=O)Nc3ncc(C4CCNCC4)s3)nn2)cc1 262101651 SWCKLRQIZXBEJK-UHFFFAOYSA-N 368.466 2.752 0 50 FFAA Cn1c(C(=O)NC2(CC(=O)O)CCOCC2)c(Cl)c2ccccc21 262562604 ZCETYRSVDMOYCD-UHFFFAOYSA-N 350.802 2.585 0 50 FFAA Cc1ccccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72447903 APMVEEYZSBINJX-GOSISDBHSA-N 356.466 2.673 0 50 FFAA CC(C)(C)OC(=O)N1C[C@H](n2cc(-c3ccccc3)nn2)C[C@H]1C(=O)O 71257082 ADNVHPPFKNQHHE-HIFRSBDPSA-N 358.398 2.580 0 50 FFAA Cc1cn2cc(C(=O)N3CCC[C@@]4(C3)C(=O)N(C)c3ccccc34)ccc2n1 82126871 UHDKKUARTGFJJL-QFIPXVFZSA-N 374.444 2.793 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 288103610 XAUGQOHHDVLKTP-OBZTUIKSSA-N 352.434 2.880 0 50 FFAA Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 178470096 XMWCPGXOVPMNBN-AWEZNQCLSA-N 362.389 2.580 0 50 FFAA O=C(N[C@@H]1CCCNC1=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 426689189 KFUGWEJTJKORFW-CQSZACIVSA-N 363.339 2.776 0 50 FFAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCC2(CCNCC2)C1 426444865 DCFPSZLWQAZTEV-FQEVSTJZSA-N 370.541 2.999 0 50 FFAA O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccncc1 40283871 BIJVHERDWCKDMI-UHFFFAOYSA-N 370.428 2.678 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 222584200 AYKRVQNWTWQAOK-MKJPBZQASA-N 364.449 2.827 0 50 FFAA Cc1cc2cccc(C(=O)N[C@@H]3CCN(Cc4cscn4)C[C@H]3O)c2o1 426506000 YZBLHEOVNJIVMU-IAGOWNOFSA-N 371.462 2.563 0 50 FFAA O=C(N[C@@H]1COC2(CCCCC2)C1)C1CCN(C(=O)c2ccncc2)CC1 426584854 SHJGWIHGHIFHKS-SFHVURJKSA-N 371.481 2.542 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)n1 96151146 VASANJFKRXVMRD-CYBMUJFWSA-N 356.426 2.886 0 50 FFAA CCn1c(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)nc2ccccc21 426740622 UZUXOSPFCZZZTH-HNNXBMFYSA-N 367.453 2.717 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccccc2)CC1 96139748 CKRTVELDMLDEKE-UHFFFAOYSA-N 350.470 2.922 0 50 FFAA Cc1n[nH]c(C)c1-c1ccc(C(=O)NCCCN2CCCC[C@H]2CO)cc1 426693714 KHROJYMFTUOBTF-IBGZPJMESA-N 370.497 2.660 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)c1C 91846517 HVHJRXSONWFVEG-HNNXBMFYSA-N 371.412 2.931 0 50 FFAA O=C(c1coc(CN2CCOCC2)c1)N1CCCC[C@H]1c1cccnc1 95381242 UVFZDBLPXAJQEV-IBGZPJMESA-N 355.438 2.874 0 50 FFAA COCCc1nc(-c2c(C)oc3c2C(=O)CCC3)n(C2CCN(C)CC2)n1 96165728 GCOIXDDCHWDALG-UHFFFAOYSA-N 372.469 2.821 0 50 FFAA COc1cc(Cl)c(CN2CC[C@]3(CCCN(C)C3=O)C2)c(OC)c1 91876717 DKORPCPCUBPWES-GOSISDBHSA-N 352.862 2.802 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(CCC(F)(F)F)CC1 96136035 RRKNDZGDOOGYQM-UHFFFAOYSA-N 356.396 2.675 0 50 FFAA Cc1c(NC(=O)CN(Cc2ccccc2)Cc2nccs2)cnn1C 244723892 MJLLUJBCSJEBNI-UHFFFAOYSA-N 355.467 2.826 0 50 FFAA COc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)cn3)cn2)cc1 182142856 MDSVBETWYGHECY-UHFFFAOYSA-N 356.813 2.918 0 50 FFAA Cc1ccc(SC2CCN(C(=O)NCCCn3ccnn3)CC2)cc1 534676302 YTOGZOVBWUSYIL-UHFFFAOYSA-N 359.499 2.943 0 50 FFAA NCCCOc1cc(Cl)ccc1C(=O)N1Cc2ccccc2[C@@H](O)C1 299771316 YAVNVZDRLNFSQL-KRWDZBQOSA-N 360.841 2.757 0 50 FFAA CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@@H]1c1cc(C)ccc1C 55220565 RPJDMOITEINOJV-GOSISDBHSA-N 357.454 2.570 0 50 FFAA CC(=O)N1CCCC[C@H]1C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 299766072 BOYCABFUTPHEPD-INIZCTEOSA-N 362.861 2.666 0 50 FFAA COCC(=O)NCc1cc2n(n1)CCN(CCC1=C(C)CCCC1(C)C)C2 299787202 VSJUSQVTMMUWKI-UHFFFAOYSA-N 374.529 2.878 0 50 FFAA COc1ccc([C@H](NC(=O)CCn2nccc2C)c2ccncc2)cc1 299775419 CGKXLQLYWRENCQ-FQEVSTJZSA-N 350.422 2.891 0 50 FFAA COc1cc(C(=O)N[C@H]2COc3c(cccc3OC)C2)c2ccccc2n1 824852834 IMRUOCBDERLEOG-CQSZACIVSA-N 364.401 2.986 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 823118475 SYBHPVQQFAURHK-GOSISDBHSA-N 361.449 2.535 0 50 FFAA CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[C@H](C)Cc1ccsc1 186289866 PWHVXJYYJVVPQV-BMFZPTHFSA-N 362.495 2.703 0 50 FFAA CN1CCN(C(=O)c2occc2-c2ccccc2)C[C@@H]1c1nccn1C 276826864 XWHRHUGJWAYHIV-QGZVFWFLSA-N 350.422 2.809 0 50 FFAA CCc1ncc(S(=O)(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)[nH]1 1529179803 DWCPDJXRRLIPDS-CVEARBPZSA-N 363.483 2.759 0 50 FFAA O=C(COc1ccccc1Cl)N1CCCN(C(=O)[C@@H]2CC23CC3)CC1 1704299273 PWUSZKOPRXEUJJ-AWEZNQCLSA-N 362.857 2.580 0 50 FFAA O[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1ccnc2ccccc12 1704297934 BJXLIQMFIPBSAW-CRAIPNDOSA-N 350.422 2.531 0 50 FFAA O=C(NCC1=CCCCC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772805815 SUURCCPBPCZVDM-OAHLLOKOSA-N 361.511 2.701 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)NC[C@H](c1cccnc1)N1CCCCC1 1772707471 VAHBHQZANSXYRY-GOSISDBHSA-N 357.429 2.812 0 50 FFAA CCc1ccccc1NC(=O)N1CCCN(C(=O)C2CCOCC2)CC1 1775984227 KPBSNODPRJYLAO-UHFFFAOYSA-N 359.470 2.742 0 50 FFAA Cc1nnc2ccc(SCC(=O)N3CC[C@H](c4ccc(F)cc4)C3)nn12 11978009 ZEUNLOGHRKOEIY-AWEZNQCLSA-N 371.441 2.680 0 50 FFAA O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 19361246 YUGSMNOOCYMEMP-UHFFFAOYSA-N 356.397 2.555 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1c2c(nc3onc(C)c13)CCC2 1857672716 XXSOBGYLMGAGJJ-VHPWJVAPSA-N 355.438 2.786 0 50 FFAA C[C@]1(C(=O)NCCc2nccc(-c3ccccc3)n2)CC12CCNCC2 1857702863 RJFXDXYLDXDDQQ-HXUWFJFHSA-N 350.466 2.582 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3OCCC(=O)N(Cc4ccccc4)[C@H]3C2)cc1 1857711808 MZLRZRMRVNZRFB-PMACEKPBSA-N 364.445 2.637 0 50 FFAA CCNC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857723291 YZAMCPIMDHBXDJ-VQTJNVASSA-N 368.433 2.666 0 50 FFAA C[C@]1(O)CCN(C(=O)Cn2ncc3ccccc32)C[C@H]1Cc1ccccc1 213335246 VGNMNGMJLWSMBQ-KNQAVFIVSA-N 363.461 2.879 0 50 FFAA COc1ccnc(N2CCN(C(=O)c3cc4c(C)c(C)ccc4[nH]3)CC2)n1 116733308 HINVNZBVNIPHRW-UHFFFAOYSA-N 365.437 2.546 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1csc(-c2ccccc2)n1 247908574 CVLUFDHQPVBYBY-QAPCUYQASA-N 369.490 2.822 0 50 FFAA CCn1c(C)cc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1C 135504301 UUMWAWRTFMCMSA-UHFFFAOYSA-N 371.485 2.733 0 50 FFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1sc(CC(C)C)nc1C 485128705 FZAKPLPNPUVPRO-HNNXBMFYSA-N 357.479 2.968 0 50 FFAA COc1ccc([C@H](CC(=O)N[C@@H](C)[C@H](O)c2ccccc2)NC(C)=O)cc1 809214518 FGEUJGKUIWKUOU-JBYOLUDKSA-N 370.449 2.501 0 50 FFAA CC(C)(C)n1ccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)O)n1 910102131 BGWUBTXSBYFNTK-FQEVSTJZSA-N 355.438 2.940 0 50 FFAA C[C@H](C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(O)c1 935116931 FNISWVIFJDDCNL-RDJZCZTQSA-N 352.434 2.661 0 50 FFAA COC(=O)COc1cccc(COc2ccccc2-c2cc[nH]c(=N)n2)c1 1875337211 QOOJBXBATLPGNH-UHFFFAOYSA-N 365.389 2.687 0 50 FFAA Cn1nccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccc(F)c1F 888103783 YQKACYBYRXVOGC-GOOCMWNKSA-N 360.408 2.624 0 50 FFAA O=C(O)C12CC(CN3CCN(c4ccc(Br)cc4)CC3)(C1)C2 2325772964 BBAXAANITZKJTI-UHFFFAOYSA-N 365.271 2.826 0 50 FFAA CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@@H](CF)C2)c1 2325792360 WTMHMGWJEYIMGT-FQEVSTJZSA-N 355.457 2.702 0 50 FFAA C[C@H](NC(=O)CN1CCn2ccnc2C1)c1ccc(-c2cccnc2)cc1 2325804496 SQIOMCMPHWEOOV-INIZCTEOSA-N 361.449 2.638 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3CCCc4cc(CN)ccc43)cc2n1 2325859032 LKOVZLXFLMXWIM-HNNXBMFYSA-N 350.422 2.838 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 671110 LVEHLNJSXHYYDH-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)cc(C(=O)OC)c1 994327 GAKNWMFPGQXMNG-UHFFFAOYSA-N 373.361 2.529 0 50 FFAA biogenic CC[C@@H](CO)NC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccccc1 2830339 KBQXRLDUKQPMJB-UZNZLNSGSA-N 352.434 2.653 0 50 FFAA Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc1C 2881183 AMAWCTKLVUZVHT-UHFFFAOYSA-N 366.373 2.626 0 50 FFAA CCOc1ccc(OCC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356148825 VALWOMYNBAXLRF-OAQYLSRUSA-N 372.465 2.610 0 50 FFAA COc1ccc2c(c1)CCOC21CCN([C@H](C)C(=O)N2CCCC2)CC1 2356158941 FVODWVGFZGMYHO-MRXNPFEDSA-N 358.482 2.570 0 50 FFAA CCOC(=O)c1cnc(S[C@@H](CC)C(=O)Nc2ccccc2)nc1N 4749142 GJICDBUHUDLGSO-ZDUSSCGKSA-N 360.439 2.745 0 50 FFAA O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1 4774933 VYPJOVJDIAOIDZ-UHFFFAOYSA-N 362.430 2.732 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCCCC1 6703052 YWEDIMWWDIVDLB-UHFFFAOYSA-N 363.439 2.776 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@@H](C(=O)O)C1 6741883 RHAWVMBDVZUSKT-MOPGFXCFSA-N 374.456 2.917 0 50 FFAA COc1ccc(CCNC(=O)c2nc(-c3ccc(F)cc3)no2)cc1OC 6743622 QDMXHOLGSPFUGB-UHFFFAOYSA-N 371.368 2.865 0 50 FFAA O[C@H]1CN(Cc2ccccc2)CCN(c2ncccc2C(F)(F)F)C1 108265411 NOIONTNZLKDKFY-HNNXBMFYSA-N 351.372 2.784 0 50 FFAA O=C(Nc1ccc(N2CCC2=O)cc1)N1CC[C@H](CN2CCCCC2)C1 225634402 PIVGGBUBDNSXKS-MRXNPFEDSA-N 356.470 2.763 0 50 FFAA CC(C)N1CCN([C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 23358991 NFVBLSVYVNBLEH-SFHVURJKSA-N 365.468 2.872 0 50 FFAA CC(=O)Nc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 112416016 VPXGJRIVUXPADK-MRXNPFEDSA-N 370.384 2.711 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)CCC(=O)c1ccc(F)cc1)C2 102920797 IWSSJEMQIFXBES-MRXNPFEDSA-N 357.381 2.917 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 20166622 WZNZHIDPZLUBCO-UHFFFAOYSA-N 367.434 2.516 0 50 FFAA CC(=O)c1cccc(-n2c(SCC(=O)O)nnc2-c2coc(C)n2)c1 67783950 NLZRUIYBFDCMLQ-UHFFFAOYSA-N 358.379 2.610 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@@H](O)C1)c1cnc2ccccc2c1 67694970 OVHQAXQULNJJIE-GOSISDBHSA-N 362.433 2.521 0 50 FFAA CC1=C(C(=O)O[C@H](C)c2ccoc2)C=C[C@@]2(C)[C@@H]1[C@H]1C=C[C@]2(O)C(=O)O1 25540739 QIINWPYOPMCLOJ-JJOBAADDSA-N 356.374 2.619 0 50 FFAA COc1ccc([C@@H](CNCc2cnn3ccccc23)N2CCOCC2)cc1 171761917 HLAPGTXJCWQFIM-OAQYLSRUSA-N 366.465 2.506 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cccnc2-n2ccnc2)C12CCC2 118948978 PGXATSSZAVAATF-IAGOWNOFSA-N 369.469 2.756 0 50 FFAA COc1cc(CCNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)ccc1C 120647280 VAUZOYNDXFHFOI-QGZVFWFLSA-N 358.442 2.743 0 50 FFAA Cc1conc1NS(=O)(=O)c1cc(Br)cnc1Cl 328594520 PYYNYSFWMNADFY-UHFFFAOYSA-N 352.597 2.595 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(CC(C)C)CC(C)C)cc1 72156683 YSSMYEKUPFIJJC-HXUWFJFHSA-N 373.541 2.826 0 50 FFAA COCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1 253370964 YUPGQICQNIALBS-BGQADETBSA-N 356.466 2.622 0 50 FFAA O=C1NC[C@@]2(CCCN(Cc3cnc(SCc4ccccc4)nc3)C2)O1 216036333 NXPIGCTYZPVMDC-LJQANCHMSA-N 370.478 2.843 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC2CCN(c3cnccn3)CC2)c1 72434665 TZSZWYHWQQUWJC-UHFFFAOYSA-N 368.481 2.579 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCN3CCC[C@@H](CO)C3)c2c1 77504740 ICQAPAQQFIHCPW-QGZVFWFLSA-N 355.482 2.540 0 50 FFAA O=C(O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 71774511 SGQGICBCPOQVSM-CVEARBPZSA-N 356.397 2.987 0 50 FFAA COC[C@H]1CCCCN1c1nc2nonc2nc1NCc1cccs1 14953590 HPRXKVMZCJLPHU-LLVKDONJSA-N 360.443 2.692 0 50 FFAA COc1cncc(C(=O)Nc2ccccc2)c1I 35270318 ZNJHYEHUEGDJGA-UHFFFAOYSA-N 354.147 2.947 0 50 FFAA O=C(c1cncc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1)N1CCCCC1 71738652 XYUXDALYLGBOJJ-GOSISDBHSA-N 370.428 2.820 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 236911676 YNKHDOXMYKFXEK-GOEBONIOSA-N 350.434 2.749 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1)c1cc(COc2cccc(F)c2)[nH]n1 71753525 SYNRQSWTYQJHJE-OAHLLOKOSA-N 367.380 2.861 0 50 FFAA CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 241126063 JJELPRJDHKBZDV-OCCSQVGLSA-N 364.269 2.646 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72163302 UVPLTXHQLFVYEJ-HXUWFJFHSA-N 368.437 2.832 0 50 FFAA COCc1nc([C@H]2COCCN2C(=O)CC/C=C/c2ccccc2)no1 378606308 LLZLXGVQWROTEY-DXWDOBMASA-N 357.410 2.610 0 50 FFAA C[C@H](NS(=O)(=O)NCc1ccccc1)c1nc2c(s1)CCCC2 72172908 ZFMVPVNMLUFUIT-LBPRGKRZSA-N 351.497 2.707 0 50 FFAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CCO[C@]2(CCCOC2)C1 286325601 LFBPEEUHPLZMAA-HXUWFJFHSA-N 367.405 2.845 0 50 FFAA Cc1nn(C)c(C)c1[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)C(F)(F)F 263372125 YUBRFZGUMMCSDD-HNNXBMFYSA-N 369.343 2.697 0 50 FFAA NC(=O)C[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C1CCOCC1 176899251 MGLVXVZXSFBOTB-IBGZPJMESA-N 374.481 2.799 0 50 FFAA C[C@@H](C(=O)O)N(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 263557130 PALMDJAMOPWOHU-QMMMGPOBSA-N 356.209 2.648 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 426396365 FXUIHANJRFAWOF-KRWDZBQOSA-N 364.453 2.993 0 50 FFAA CCc1nc(C)sc1C(=O)N1CCN(Cc2cccc(OC)c2)C(=O)C1 82157847 QAPIHRSFESAXPU-UHFFFAOYSA-N 373.478 2.507 0 50 FFAA O[C@H](c1cc2n(n1)CCN(C1CCN(Cc3ccccc3)CC1)C2)C1CC1 220720604 FNVVFQYPNGLVRM-QFIPXVFZSA-N 366.509 2.807 0 50 FFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc2c(c1)S(=O)(=O)CC2 178061193 KZXFGQGQRGXAAL-KRWDZBQOSA-N 357.431 2.659 0 50 FFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3ccccc3N3CCCC3)C2)ncn1 222818029 RYCXBZYVIYODRG-SHTZXODSSA-N 351.454 2.795 0 50 FFAA CCOc1ccccc1C(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 178173655 AYHLLKUIBULVDL-UHFFFAOYSA-N 354.454 2.891 0 50 FFAA Cc1nc([C@@H](C)NC(=O)CCS(=O)(=O)c2ccccc2)c(C)s1 222312422 CGEBOSXGHVBJBH-LLVKDONJSA-N 352.481 2.801 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)c1 426425524 YHYUYLAZPAMGSU-CVEARBPZSA-N 368.458 2.968 0 50 FFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)NCCCc3ccccn3)c2n1 426550689 VVEXBPYVYSGQAY-UHFFFAOYSA-N 363.343 2.814 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)N2CCC[C@H](N(C)C)C2)ccc1Cl 426701763 XTCQDBWFJBBGCL-ZDUSSCGKSA-N 352.866 2.600 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)NCCc2nncn2C)CC1 426403474 IVAZHMXVASKVDE-UHFFFAOYSA-N 359.499 2.632 0 50 FFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(c1ccc3cccc(Cl)c3n1)CC2 95360476 GWGQICTURIMLCQ-CYBMUJFWSA-N 373.840 2.790 0 50 FFAA O=C(O)c1cccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 92028849 BAQCIHMEAJOSGW-INIZCTEOSA-N 363.421 2.804 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91535430 QZJMVRHQLUJYHJ-UHFFFAOYSA-N 358.486 2.794 0 50 FFAA Cc1cc(NC(=O)N2C[C@@H]3CNC[C@@H]3C2)n(Cc2ccccc2Cl)n1 97711849 COJLNDSZNRATSH-GASCZTMLSA-N 359.861 2.576 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc(C)c(N3CCNC3=O)c2)c1 91707305 NLTQDXWKPRRAGV-INIZCTEOSA-N 366.465 2.931 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1cccc(-n3cccn3)c1)C2 91468418 RUKSOXDWAMXHPU-QGZVFWFLSA-N 363.417 2.748 0 50 FFAA Cc1cnc(CNC(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cn1 97360145 KBIXDCCLEAFRGL-AWEZNQCLSA-N 367.453 2.979 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCCSc1nnc(C)s1)n2C 91411345 RHEWCDBTJKONBW-UHFFFAOYSA-N 362.480 2.869 0 50 FFAA CCc1ncc(C(=O)N2CCc3[nH]c(-c4ccc(OC)cc4)nc3C2)cn1 96139176 QPSDKGNTLUAQAT-UHFFFAOYSA-N 363.421 2.636 0 50 FFAA CN(C)S(=O)(=O)CCNC(=O)Nc1ccc(C2CCCCC2)cc1 96153038 WNTVOUWBQBNUGC-UHFFFAOYSA-N 353.488 2.747 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(CCOc3ccc(F)cc3)C[C@H]21 95520315 QFRUVAVAXZMCMS-TZIWHRDSSA-N 373.424 2.684 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3n[nH]c4c3CCC4)CC2=O)cc1 91270161 KSSXARLVKRTTII-OAHLLOKOSA-N 366.465 2.691 0 50 FFAA CCc1ccc(C(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)[nH]1 91757105 ZZZOBNNHMKILEY-QGZVFWFLSA-N 373.497 2.601 0 50 FFAA COc1ccc([C@@H](NC(=O)CCc2cccc(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734340 NDSLXMSASRNDON-OXFYSEKESA-N 358.413 2.790 0 50 FFAA Cn1cc([C@H](NC(=O)c2cccc(-c3ccco3)c2)[C@H]2C[C@@H](O)C2)cn1 244874965 XKEPAMOTGSDCKM-HHXXYDBFSA-N 351.406 2.922 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)c1cc2ccccc2s1 244874302 WYSHIUMJBHMRGF-IAGOWNOFSA-N 367.474 2.662 0 50 FFAA CS(=O)(=O)Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)o1 299667214 GXOJJNQNPVAJHL-UHFFFAOYSA-N 361.463 2.919 0 50 FFAA O=C1C[C@H](C(=O)N2CCCCC[C@@H]2c2ncon2)CN1Cc1ccccc1 184177523 CQZQVHTUALKAIW-DLBZAZTESA-N 368.437 2.562 0 50 FFAA COCCn1c(C)cc(C)c(C(=O)Nc2cccc3cccnc23)c1=O 253413138 TXBXXNUIMWXQAM-UHFFFAOYSA-N 351.406 2.912 0 50 FFAA Cc1cccc(CNC(=O)C2(Oc3cccnc3C)CCNCC2)c1C 65398752 XYVFXFWPMKHKFJ-UHFFFAOYSA-N 353.466 2.824 0 50 FFAA Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2ccncc2)CC1 299795878 MPHNBFGEVPGJMV-KRWDZBQOSA-N 373.526 2.861 0 50 FFAA Cc1c(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cnn1-c1ccccc1 1340940282 ZXFHVKBTLCIQMD-UHFFFAOYSA-N 362.368 2.856 0 50 FFAA COc1cc(CN(C)CC[C@H]2CCCCO2)cc(Cl)c1OCC(N)=O 952990994 YFAXIGDXAJNZLT-CQSZACIVSA-N 370.877 2.604 0 50 FFAA Cc1nc(CNC(=O)CCc2n[nH]c3c2CCCC3)nc2c1CCCC2 952984565 YBMIEAYRYCKWOE-UHFFFAOYSA-N 353.470 2.515 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565511893 MFBDYLJOUXEQNR-IRXDYDNUSA-N 365.351 2.999 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1 170619509 QUIGIWDHEAYASO-KRWDZBQOSA-N 374.485 2.518 0 50 FFAA CCN(CC)c1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)cn1 277105052 PRFJKDRRKJLEQC-UHFFFAOYSA-N 364.449 2.710 0 50 FFAA C/C=C/c1ccc(OCC(=O)N2CCC[C@H](c3nncn3C)C2)c(OC)c1 193059959 LKLDNYUZXBKKTN-NBUZRDOWSA-N 370.453 2.642 0 50 FFAA COc1ccc(-c2nnc(S(=O)(=O)Cc3ccc(C)cc3)[nH]2)c(OC)c1 195188600 SLCSPOZBPYFQPM-UHFFFAOYSA-N 373.434 2.771 0 50 FFAA O=C(c1cc2ncccn2n1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506401866 GOETZACPLCXOCP-UHFFFAOYSA-N 364.384 2.765 0 50 FFAA CCN(Cc1noc(C2CC2)n1)S(=O)(=O)c1ccc(OC)c(Cl)c1 1506421963 XAPOIDQCFMOZKP-UHFFFAOYSA-N 371.846 2.820 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(=O)cc(C)o2)CC1 1506403105 VXFQWABHCUPASV-UHFFFAOYSA-N 369.465 2.512 0 50 FFAA C[C@H](C(=O)Nc1ccnn1C1CCCC1)n1cnc2ccccc2c1=O 1506420369 ALEONQNBUIXTFI-CYBMUJFWSA-N 351.410 2.908 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)COc3ccc(F)cc3F)C[C@H]2C1 1529161465 KFZNCHBGMOMZSW-SDSIWUNFSA-N 352.425 2.921 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3csc(C)n3)C[C@@H]2NC(=O)C2CC2)cc1 216311034 XNNWYGWLDVLLCK-SJORKVTESA-N 369.490 2.894 0 50 FFAA CCCCOc1ccccc1C(=O)N1C[C@H](C(=O)O)C2(CCOCC2)C1 1775979598 KDXOXHHIAPQJKE-MRXNPFEDSA-N 361.438 2.819 0 50 FFAA O=C(Cn1ccnc1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 11935395 JRJWGJFLJBSXHF-JOCHJYFZSA-N 366.509 2.830 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccc[n+]([O-])c3)C2)cc1 12049741 GCTRYGALPIDUJX-OAQYLSRUSA-N 367.493 2.913 0 50 FFAA COc1cc(CNCCCSC)ccc1OC[C@@H](O)CN(C)C(C)C 12314566 LXFNDNQTQYFWND-KRWDZBQOSA-N 370.559 2.618 0 50 FFAA Cc1cc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)n(C)n1 14955613 PFGUOAVVMHZKHQ-UHFFFAOYSA-N 372.488 2.894 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 16580623 KREMXBSVUAKXGF-KRWDZBQOSA-N 360.435 2.913 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(NCCc4cnccn4)n3)cn2)cc1 19595666 HEINIHMTFMDOAP-UHFFFAOYSA-N 373.420 2.783 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cn1 1857709804 SFYWNGGSQUIREE-RTBURBONSA-N 367.449 2.672 0 50 FFAA Cc1nc(O)cc(CN2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)n1 1857712373 WYZXZOSWYZNIEZ-RBUKOAKNSA-N 369.465 2.738 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC(c2ccccn2)C1 1857739143 KMOSUFOLOOWLHO-UHFFFAOYSA-N 351.435 2.797 0 50 FFAA CCc1nc(-c2ccc(C(=O)N3CCC(Cn4cccn4)CC3)cc2)n[nH]1 126442131 ZCWITFXEHVQKDU-UHFFFAOYSA-N 364.453 2.783 0 50 FFAA CC[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CCN1C[C@H](C)O 240454716 FYGZGYCKOQJJHI-LKJNICPGSA-N 352.494 2.599 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 13791351 WISDMRXWOXXBCM-VIFPVBQESA-N 351.255 2.604 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@@]2(CCCN2)C1)c1ccn(C2CCCC2)n1 1875394011 YDAJTDGBTAEVNN-BXKMTCNYSA-N 350.488 2.522 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC(n4cc(C(=O)O)cn4)CC3)cc2s1 909832034 FRBXSHLSZSPJEO-UHFFFAOYSA-N 370.434 2.977 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)cc1 846529007 MOIPTFWXMSBGBY-UHFFFAOYSA-N 373.453 2.877 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)c2ccccc2CN(C)C)Cc2ccccc21 1875268779 PHWJIZFZRLSUPC-LJQANCHMSA-N 352.434 2.661 0 50 FFAA Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3SCC[C@@H]3C)CC2)n1 1875289080 RRHJQCZUCMTIJD-GXFFZTMASA-N 353.513 2.770 0 50 FFAA N[C@@]1(CO)CCCN(C(=O)[C@@H](CCc2ccccc2)Cc2ccccc2)C1 1875276661 MQYUYKGHDLVLEA-GMAHTHKFSA-N 366.505 2.790 0 50 FFAA COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H]3C)c1 1875280042 QZKHFKGXOGQVOY-CYBMUJFWSA-N 374.462 2.990 0 50 FFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc2n[nH]cc2c1Cl 1875323276 DBJIPNBUKRMNQM-GFCCVEGCSA-N 370.844 2.653 0 50 FFAA Cc1nc(C(=O)N2C[C@H](NC(=O)CC3(C)CC3)[C@H]3CCCC[C@@H]32)c(C)o1 1875408355 UERXGDCSPXGMDT-PMPSAXMXSA-N 359.470 2.981 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2ncno2)cc1 2325804836 VLHRFEUPQXXSER-JKSUJKDBSA-N 363.373 2.794 0 50 FFAA CN(Cc1cnn2c1CNCC2)c1ccnc(-c2cccc(Cl)c2)n1 2325807311 QCLNVMDQQDGDAO-UHFFFAOYSA-N 354.845 2.733 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC(=O)Nc1ccnc(N(C)C)c1 2325857271 VSLGIQZKVKGHHY-UHFFFAOYSA-N 350.426 2.963 0 50 FFAA CC(C)[C@H](C)C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2ncon2)cc1 2325867955 JZOBXEZOCSWIIX-KBPBESRZSA-N 358.442 2.511 0 50 FFAA CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)c1cc2ccccc2s1 127071533 RWVVCENSSMWJAH-LSDHHAIUSA-N 360.479 2.698 0 50 FFAA CCOc1ccc(N([C@@H](C)C(=O)Nc2ccccc2)S(C)(=O)=O)cc1 1150916 YYGHWNBLJYRKMY-AWEZNQCLSA-N 362.451 2.879 0 50 FFAA COc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 2064805 ULKYVFGCXOEFQJ-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COc1ccc([C@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc1 2108816 KXRRKYGMAAQGAG-GDBMZVCRSA-N 353.422 2.989 0 50 FFAA biogenic O=C(CCSc1ccc2c(c1)OCCO2)NCCc1nccs1 55368964 IFLMZYGVKYIQAJ-UHFFFAOYSA-N 350.465 2.755 0 50 FFAA CN(CC(=O)NCC(F)(F)F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 247988293 ZTQLYHQDLNVWFE-YPMHNXCESA-N 371.186 2.562 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 23339963 UGFRQICBJGEBOS-LJQANCHMSA-N 355.526 2.684 0 50 FFAA Cc1ccc(C(=O)N[C@@H](C)c2cn3ccsc3n2)cc1N1CCNC1=O 65526711 ZKMRRSZZKDIQPZ-LBPRGKRZSA-N 369.450 2.725 0 50 FFAA c1ccc(-c2ncn(Cc3nnc4n3CCC4)c2CCn2cccn2)cc1 65373948 KYSZIJVVWFEJLV-UHFFFAOYSA-N 359.437 2.575 0 50 FFAA CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 63178600 HWYONDLBYZPMFV-UHFFFAOYSA-N 362.426 2.887 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1 67675520 KPRHTAPTLIJOON-OAQYLSRUSA-N 353.466 2.782 0 50 FFAA C[C@H](O)Cc1cn(C2CCN(C(=O)c3ccc4sccc4c3)CC2)nn1 20235180 JTRDKSWVBAGXPW-ZDUSSCGKSA-N 370.478 2.893 0 50 FFAA CC(=O)c1c(C)cc(C)c(CN2CCC3(CC2)C(=O)NCCCN3C)c1C 67946201 MNQADCVWLHKKRI-UHFFFAOYSA-N 371.525 2.601 0 50 FFAA Cc1c(NCc2cccnc2)cccc1C(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 65381984 MYRGOFOEGSGOJM-PMACEKPBSA-N 369.465 2.612 0 50 FFAA CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CCS(=O)(=O)N(C)C 65393501 LFPDXSBMQSJIFG-AWEZNQCLSA-N 367.540 2.736 0 50 FFAA Cc1ccc(NC(=O)CC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 65372136 GWRULBHVTUABIZ-UHFFFAOYSA-N 364.405 2.998 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCN1CCCOC1=O 72151513 BEWXWMVXYOHVQM-CQSZACIVSA-N 357.410 2.800 0 50 FFAA CC[C@H]1CN(C(=O)c2cccc(N)c2)CCC(=O)N1Cc1ccccc1 71749193 IXXMKQALYUPEQZ-IBGZPJMESA-N 351.450 2.922 0 50 FFAA COc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(OC)c1C 39400652 WARYVDSZZMHRRS-LJQANCHMSA-N 362.514 2.823 0 50 FFAA COc1ccc(CCN2C[C@@H](NCc3nc4ccccc4[nH]3)CC2=O)cc1 12306514 GTKKLYDITONXDX-INIZCTEOSA-N 364.449 2.505 0 50 FFAA Cn1ncc2c(NC[C@@H](O)c3ccc(O)cc3)nc(C3CCCC3)nc21 72429123 LIMJXIGBBWVKOJ-MRXNPFEDSA-N 353.426 2.872 0 50 FFAA CCCN1CC2(CCN(C(=O)c3cc(C(C)C)on3)CC2)C[C@H]1C(=O)O 72421239 AMLVTUXIYXAKTG-HNNXBMFYSA-N 363.458 2.589 0 50 FFAA COCCN(Cc1cccnc1)C(=O)CCn1c(C)nc2ccccc21 501267331 ZXRDWXZVDWERHA-UHFFFAOYSA-N 352.438 2.805 0 50 FFAA COCCCN1C[C@]2(CCCN(Cc3cccc(Cl)n3)C2)CCC1=O 72474022 RGPPDVZCRCEJRY-LJQANCHMSA-N 365.905 2.976 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(C)n(CC)n3)C2)CCC1=O 77472194 OLDJBTZRWVVTEX-FQEVSTJZSA-N 360.502 2.856 0 50 FFAA O=C(NCc1nccn1C(F)F)[C@@H]1CCCCN1C(=O)c1ccccc1 363482940 CDNJSWOQYGOZRP-AWEZNQCLSA-N 362.380 2.589 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H]([C@H](C)N)C3)n2)n1 237458930 OBVZETXGPSJFEH-KBPBESRZSA-N 361.877 2.737 0 50 FFAA CC(C)[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O)C(=O)O 156333068 QAHIZXXELNEUIM-QWHCGFSZSA-N 373.236 2.572 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ccc(Cl)cn2)CC1 77377735 AFSROCGQXZKBED-KRWDZBQOSA-N 357.841 2.777 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC[C@H]1c1cccnc1 368750776 KWYGZAXZJFYLHK-IBGZPJMESA-N 360.417 2.669 0 50 FFAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCC[C@H]1c1ncc[nH]1 370579112 HCLBJOMEOSTEFW-HNNXBMFYSA-N 350.426 2.522 0 50 FFAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3nccnc3cc2F)C1 373405117 SORGENDFRVLDDJ-CQSZACIVSA-N 350.397 2.902 0 50 FFAA O=C(c1cc(Cl)ccc1O)N1CCCC[C@@H]1CCN1CCOCC1 77341407 HNZJOMUJNGYELF-OAHLLOKOSA-N 352.862 2.763 0 50 FFAA NC1(C(=O)N2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)CC1 71767789 NEIIWNUJYWJKHF-LJQANCHMSA-N 350.462 2.927 0 50 FFAA O=C(NCc1nnc2ccccn12)N1CC[C@H](Oc2ccc(Cl)cc2)C1 454191924 AAPBEMWBUGDHST-HNNXBMFYSA-N 371.828 2.746 0 50 FFAA COc1cccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)c1 44892614 KPCAGTFPPYBOJL-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)CCn1ccccc1=O 77452021 SEFWGNZSCCYTCC-UHFFFAOYSA-N 359.514 2.886 0 50 FFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccn(C4CCCC4)n3)C2)nn1 284683966 RHWRRDIRHWDAOD-LJQANCHMSA-N 358.490 2.654 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCCc1csc(N)n1 72422562 PCZQMQQUKGFMNK-UHFFFAOYSA-N 369.494 2.819 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)N1CCN(C)CC1 82171037 OSEFNJAHBMSDFO-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)c12 263495954 XTVIPLYFXLLBLI-VXGBXAGGSA-N 366.421 2.783 0 50 FFAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc2cccc(Cl)c2n1 426519231 JHJZFBAZZHNBKS-UHFFFAOYSA-N 355.707 2.955 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3ccc(O)c(Cl)c3)C2)CCC1=O 82160777 JAWBSHQLGNCJKC-GOSISDBHSA-N 350.846 2.910 0 50 FFAA O=C(NCc1nccc(C(F)F)n1)[C@H](c1ccccc1)N1CCCCC1=O 288759526 ZXSKZKWNYZWISS-KRWDZBQOSA-N 374.391 2.784 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 289120286 HCHATWNOBLEAIY-WFASDCNBSA-N 369.473 2.823 0 50 FFAA NCCOc1cccc(CC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)c1 426420305 OLSNGVMQIYEFIP-INIZCTEOSA-N 372.490 2.750 0 50 FFAA Cc1nc([C@@H](C)NC(=O)N(CCC(N)=O)CCc2ccccc2)cs1 426507832 FLPNGNBMVAHTOR-CYBMUJFWSA-N 360.483 2.642 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)c1 48140068 JUOLAUSAAVGWPX-UHFFFAOYSA-N 355.486 2.641 0 50 FFAA C[C@H](C(=O)NCc1ccc(OCC2CC2)nc1)N1CCc2ccccc21 194983313 IRBJQUAZOAIXLH-OAHLLOKOSA-N 351.450 2.938 0 50 FFAA O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1)N1CCOCC1 95522313 GCGWHWMATCAKEX-UHFFFAOYSA-N 364.489 2.927 0 50 FFAA O=C(COc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91440610 WRWXONQQQJURPF-PKOBYXMFSA-N 351.450 2.583 0 50 FFAA Cc1nc(-c2cc(-c3c(C)nn(C)c3C)nn2C)n(CC(F)(F)F)n1 96150149 KBOCDWVVNXTNLT-UHFFFAOYSA-N 353.352 2.567 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)C[C@@H]1CO 91574953 MCZQNSDAOMRRCU-HZPDHXFCSA-N 356.441 2.735 0 50 FFAA COCc1cc(CNC(=O)Nc2ccccc2CN2CCCCC2)n[nH]1 95519120 AJAVWQZSAQXIGB-UHFFFAOYSA-N 357.458 2.864 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)c(=O)[nH]1 95388531 SBQKFDYZFREUTL-UHFFFAOYSA-N 350.422 2.888 0 50 FFAA COCC[C@]1(O)CCN(Cc2cc(Cl)c(OC)cc2OC)C[C@H]1C 91351201 VKXVZEYHROPDOJ-FZKQIMNGSA-N 357.878 2.967 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 180173695 QUEZPJONFREUOD-IEBWSBKVSA-N 372.490 2.655 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)N(C)C 95517830 XLGXBGRVCAYNBM-FQEVSTJZSA-N 359.514 2.751 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1ccc3nsnc3c1)CO2 91694621 KCVUJYKODNAHGT-CQSZACIVSA-N 369.446 2.910 0 50 FFAA COc1cc(C)ccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95502598 BJXXZLUVLKSNNM-KRWDZBQOSA-N 370.497 2.782 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCN3CCOCC3)[nH]n2)o1 91486175 WPOIZEXZSQXQSP-INIZCTEOSA-N 372.469 2.695 0 50 FFAA O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CC(OCc2ccccc2F)C1 91574692 VFLWVCNDJFNJFG-UHFFFAOYSA-N 367.380 2.963 0 50 FFAA O=C(Cc1cccnc1)N1CCC(c2nccn2Cc2cccnc2)CC1 91351080 VDOXYYPTUORAJN-UHFFFAOYSA-N 361.449 2.670 0 50 FFAA CC(C)c1nnc([C@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)o1 96150531 URYLLXYMZPZUSC-LBPRGKRZSA-N 372.429 2.948 0 50 FFAA COc1cccc([C@@H]2CNC(=O)c3nc(-c4csc(C)n4)[nH]c3C2)c1 95385587 NAVWUMCGDZSHHD-LBPRGKRZSA-N 354.435 2.920 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)Cn1ccnc1-c1ccccc1 95513062 DWBQNDBIBREMDU-GOSISDBHSA-N 350.422 2.791 0 50 FFAA O=C1CCC2(CCN(Cc3ccc4[nH]ccc4c3)CC2)CN1CCCO 92003816 OZQMQWUCOMXHOL-UHFFFAOYSA-N 355.482 2.755 0 50 FFAA O=S1(=O)CCC(CN[C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 181759823 CGSXSBYGCMCSJX-OAHLLOKOSA-N 363.401 2.987 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc3c(c2)CCO3)cc1OC 299746605 YLUOWQQUPUMVKH-HNNXBMFYSA-N 371.389 2.585 0 50 FFAA CC(C)C[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ncnn1C 534676906 GNRXQSWUVJIUKP-QGZVFWFLSA-N 371.485 2.596 0 50 FFAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1C 299774576 HJBGLNIJHVBJKK-LLVKDONJSA-N 356.348 2.743 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 824583686 VHKIKFYYFNEIMG-OAHLLOKOSA-N 374.462 2.849 0 50 FFAA Cc1ncc(Cl)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1 1565507922 ZYHRWJFZFSPHQX-HOTGVXAUSA-N 361.829 2.543 0 50 FFAA Cc1cc(C2CCC2)nc(N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)n1 1565515079 BVMFUHQOJYZVJS-HKUYNNGSSA-N 366.465 2.740 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)c1nnc(O)c2ccccc12)N(C)C 952974814 BSFWKEAJVOYIMZ-CQSZACIVSA-N 356.451 2.738 0 50 FFAA O=C(NC1CCN(c2cccnn2)CC1)C1(Cc2ccc(F)cc2)CC1 277160191 WXOLFEQWKXWONY-UHFFFAOYSA-N 354.429 2.724 0 50 FFAA O=C(COC(=O)c1cc(F)c(O)c(Cl)c1)NCc1ccccc1F 170616570 GTZSPLSBTMBGTG-UHFFFAOYSA-N 355.724 2.797 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 170643899 ITTXUFQABSPMCG-QYZOEREBSA-N 367.511 2.951 0 50 FFAA CCc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)nc1 1529181701 UVSUVPPFZVNQDE-NHCUHLMSSA-N 372.465 2.596 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)COc3ccc(F)cc3)C1)CC2 1704338730 YNCZPFLULONZSR-FQEVSTJZSA-N 355.413 2.810 0 50 FFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(O)nc4cc(F)ccc34)CC2)C1 1704301241 QKYYPQXFMYIYPO-LJQANCHMSA-N 374.412 2.616 0 50 FFAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 1848443965 RJBQQSGLYKCWQT-NBYUQASBSA-N 359.381 2.849 0 50 FFAA Cc1nn2ncccc2c1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 1775983788 BWFBHDRYRAAUKR-MRXNPFEDSA-N 356.813 2.905 0 50 FFAA Cc1ccn(CCC(=O)N2CCCN(C[C@@H](C)c3ccccc3)CC2)n1 1772807910 WALNNPVFCFFAQH-GOSISDBHSA-N 354.498 2.920 0 50 FFAA CN(C(=O)CCN1CCCCO1)[C@H]1CCCN(Cc2ccccc2F)C1 12315322 RPFVCNLTCWAZHJ-SFHVURJKSA-N 363.477 2.666 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCCC2)C1 12760790 JIKGIEUZYZHXMH-INIZCTEOSA-N 372.465 2.728 0 50 FFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)C)CC2)cc1 14016603 RALFBJGVCGLADB-HNNXBMFYSA-N 352.500 2.689 0 50 FFAA C[C@H]1C[C@@H](C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)O[C@@H]1C(=O)O 1857530248 DUMDWBMXVNCZOX-KCTSRDHCSA-N 374.368 2.507 0 50 FFAA C[C@H]1CN(C(=O)C2(N3CCCC3)CCCC2)CCN1c1ccc(F)cn1 1857670240 CJFCWBVFDVSFIO-INIZCTEOSA-N 360.477 2.666 0 50 FFAA CN1CCn2nc(C(=O)N3CCCC[C@@H]3CCc3cccs3)cc2C1=O 1857695458 KLFCMUJOQBFJNZ-CQSZACIVSA-N 372.494 2.658 0 50 FFAA CC1(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)CCCC1 1857728405 ZXRCFNLCQLUJDU-LZJOCLMNSA-N 354.450 2.868 0 50 FFAA O=C(Nc1ccnn1Cc1ccccn1)N1CC[C@H](CN2CCCCC2)C1 156806118 AUWGXFAICXNQFN-QGZVFWFLSA-N 368.485 2.666 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)c2nnc(C)s2)(c2ccccc2)CC1 848104448 XOLFOFZZSTVJLT-UHFFFAOYSA-N 370.478 2.556 0 50 FFAA CO[C@H](C)CS(=O)(=O)N(Cc1cccnc1)c1ccc(F)cc1F 864097001 YTOKKEJBPWWDAF-GFCCVEGCSA-N 356.394 2.731 0 50 FFAA Cc1cc(-n2ccnc2)ccc1CNc1cc(C(N)=O)ccc1CN(C)C 1875349987 VYISCBNVINPRHK-UHFFFAOYSA-N 363.465 2.953 0 50 FFAA Cc1ncc(C)c(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@]4(C3)CC4(F)F)C2)n1 1875408122 PABJAPBWMXDWDW-VMUDFCTBSA-N 350.413 2.978 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](n2cccn2)C1 2325703915 OMVFTSNRNSQNLN-GOSISDBHSA-N 367.453 2.557 0 50 FFAA O=C1COc2ccc(CN[C@H](CC3CCCCC3)[C@@H]3COCCO3)cc2N1 2325754560 RIRWEYGYNSPTRB-XLIONFOSSA-N 374.481 2.862 0 50 FFAA Brc1ccn2c(CN3CCNC[C@H]3c3cccnc3)cnc2c1 2325777735 ZJHAJAQAVIYFKT-INIZCTEOSA-N 372.270 2.638 0 50 FFAA O=C(N(CC1CC1)c1ccc(Cl)c(Cl)c1)C1(n2cnnn2)CC1 2325793286 OGTKISBPVYCTFR-UHFFFAOYSA-N 352.225 2.912 0 50 FFAA CCc1ccc(/C(C)=C/C(=O)N2CCC[C@@H](n3ccc(O)nc3=O)C2)cc1 2325797015 RXMPOTUCUFOMCQ-FDPSAONLSA-N 367.449 2.778 0 50 FFAA Cc1nc(-c2ccc(=O)n(-c3cnn(C)c3)c2)n(-c2ccc(C)c(C)c2)n1 2325864975 HUJJJGXYIFLHAF-UHFFFAOYSA-N 360.421 2.744 0 50 FFAA Cc1ccc2c(c1)C[C@H](C(=O)Nc1nnnn1-c1ccccc1C)S2 2325879328 QSQBAONWWMDCRL-MRXNPFEDSA-N 351.435 2.935 0 50 FFAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@H]1COc3ccccc3O1)CC2 823990 KIMYOWVJMVXTEI-ZUOKHONESA-N 369.417 2.990 0 50 FFAA Cc1nc([C@H]2OCC(=O)N[C@@H]2c2ccccc2)n(-c2ccc(Cl)cn2)n1 2356161382 SSBOVFIJAWVWSV-SJORKVTESA-N 369.812 2.553 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cccnc3O)CC1)OCC2 2356161488 XMAFBXRGAQMHST-UHFFFAOYSA-N 370.449 2.868 0 50 FFAA Cc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C 3908428 ICJBCFAWXVKDMZ-UHFFFAOYSA-N 364.361 2.985 0 50 FFAA CCC(CC)N(CCc1ccccc1)C(=O)Cc1cnc2ncnn2c1 55255023 XYBHZYCWABLOIC-UHFFFAOYSA-N 351.454 2.927 0 50 FFAA CCOc1cc(CNCc2csc(N)n2)cc(Cl)c1OC(C)=O 55226555 LLJZRNTUTHGNBG-UHFFFAOYSA-N 355.847 2.993 0 50 FFAA Cc1ccnc(NCCNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)c1 55253983 OYYCZWUHNGUNHK-UHFFFAOYSA-N 352.438 2.889 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccc(F)cc3)C[C@@H]2CCO)CC1 23374608 HCVYTHGRCYCBNN-NRFANRHFSA-N 363.521 2.567 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1nc2ncccn2n1 67674365 QZZMYFFEWAPCPO-UHFFFAOYSA-N 374.404 2.858 0 50 FFAA CN(CCn1cnc(-c2ccccc2)c1-c1ccccn1)S(C)(=O)=O 65434097 PCDTYPQYQHNPCN-UHFFFAOYSA-N 356.451 2.504 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 252490711 KZLMZBSBKVREFX-UHFFFAOYSA-N 371.437 2.906 0 50 FFAA Cc1ccc(CCS(=O)(=O)Nc2ccc(-n3ccnc3C)nc2)cc1 252508627 XQAPOTNMKDXNKH-UHFFFAOYSA-N 356.451 2.869 0 50 FFAA COc1cccc2sc(NC(=O)c3cn(C)nc3[C@@H]3CCCNC3)nc12 422933592 BKSLXRSGFLYKAS-LLVKDONJSA-N 371.466 2.758 0 50 FFAA Cc1ccccc1-c1ncc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)cn1 72417837 LHUHZPILSMAAOA-HXUWFJFHSA-N 352.438 2.869 0 50 FFAA Cc1nn(C)cc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72429477 PWFZICQWZUUPLA-UHFFFAOYSA-N 367.371 2.871 0 50 FFAA Cc1ccnc(N2CCC(Oc3ccc4c(c3)OCO4)(C(=O)O)CC2)c1 72428197 JLCLZUSJZKSLOU-UHFFFAOYSA-N 356.378 2.621 0 50 FFAA O=C(c1cn2c3c(cc(Br)cc3c1=O)CC2)N1CCCCC1 33089000 ZGOONIMXJLNSIM-UHFFFAOYSA-N 361.239 2.946 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N(Cc1cccnc1)C1CCNCC1 72121940 MSKXXJVVRLESHR-UHFFFAOYSA-N 368.485 2.573 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1 328622623 IOHHRVGYBZADJL-YPMHNXCESA-N 360.487 3.154 0 50 FFAA COc1cnccc1N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 431439409 TZYQLFYWASVWHK-UHFFFAOYSA-N 352.438 2.933 0 50 FFAA COc1ccc(CCN2C[C@H](Nc3cnc4ccccc4n3)CC2=O)cc1 72135222 OSBMNNGBXDYWBD-MRXNPFEDSA-N 362.433 2.894 0 50 FFAA Cc1cnccc1CNC(=O)c1cccc(OCC(=O)N2CCCCC2)c1 219341141 OVAYGWRKSHVEKV-UHFFFAOYSA-N 367.449 2.711 0 50 FFAA COc1cccc2ccc(N3CCN(Cc4ccccc4)C[C@@H](O)C3)nc12 217694960 PUNVEVRJWCOUNL-LJQANCHMSA-N 363.461 2.927 0 50 FFAA CCN(C)C(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O 77319151 ATKSHHCNHYYURL-UHFFFAOYSA-N 370.840 2.833 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 237498042 JAQZHGORXSIPGD-YPMHNXCESA-N 352.360 2.843 0 50 FFAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@@H](N3CCCC3)CC2)cn1 334117348 IGCJBAJNEXEPEP-AQNXPRMDSA-N 374.529 2.848 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1C 223288328 DMYXTPCNTUESLW-NVXWUHKLSA-N 362.451 2.564 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 176203009 REVMNXBTKZCRLV-CHWSQXEVSA-N 350.484 2.863 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H](C)n2ccc3ccccc3c2=O)C[C@@H]1n1ccnc1 287899366 CGHDFCNTUOPATF-MDZRGWNJSA-N 364.449 2.869 0 50 FFAA Cn1cc(Br)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 220941953 IWTBQHFADKVOPH-GAFUQQFSSA-N 355.232 2.646 0 50 FFAA CC(C)CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82156999 IYHFUQSPNVCNTP-NRFANRHFSA-N 357.498 2.901 0 50 FFAA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cc2sc(N)nc12 222361770 LKFPLAMLHCITOY-KGLIPLIRSA-N 361.467 2.501 0 50 FFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CC(=O)N(C)c2ccccc21 178202730 HJHYXEDMTKWVPS-UHFFFAOYSA-N 351.362 2.795 0 50 FFAA Cc1ccc(N2C[C@H](C)N(CCS(=O)(=O)c3ccccc3)CC2=O)cc1 91547974 XUVNCNXOABJURH-KRWDZBQOSA-N 372.490 2.506 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)NCCc3cccc(C)n3)CC2=O)c1 426475420 LEFLHNDDFHMKBP-UHFFFAOYSA-N 366.465 2.608 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3cc[nH]c3c1)C2 91486854 WPEMOGADXGYTGR-MAUKXSAKSA-N 374.444 2.940 0 50 FFAA C[C@@H](c1ccc(-c2nc3c(cc2C(N)=O)CCC3)cc1)N1CCOCC1 97696400 KWQAZCDNFMIXOE-AWEZNQCLSA-N 351.450 2.729 0 50 FFAA CCn1ccnc1C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 291487919 NSCVHWBWMLQZIP-UHFFFAOYSA-N 362.861 2.523 0 50 FFAA Cc1noc(C)c1CN1CCC2(CC1)CCN(Cc1ccoc1)C[C@H]2CO 97681970 KPSFSIFBYQLSHV-IBGZPJMESA-N 373.497 2.981 0 50 FFAA C[C@@H](NC(=O)Nc1cccc(-n2cncn2)c1)c1nncn1C1CCCC1 426582834 OKOHPIYSWZBTNF-CYBMUJFWSA-N 366.429 2.857 0 50 FFAA Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239025260 BIDMMKCOZVKTBE-ZWRLCHQNSA-N 364.445 2.684 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)c2cc(-c3ccccc3O)n[nH]2)n1 91997099 DTVVSPVGSOHBJV-OAHLLOKOSA-N 353.382 2.841 0 50 FFAA CN1CC2(CCN(Cc3nccn3C)CC2)C[C@@H](c2ccccc2)C1=O 92077291 WZRHAGSDDIMWLQ-SFHVURJKSA-N 352.482 2.648 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c(N)c2-c2ccccc2)C1 95502690 GBUZHIDRAOPJIB-OAHLLOKOSA-N 364.453 2.895 0 50 FFAA CCN(CC)CCN1C(=O)c2ccccc2[C@H]1S(=O)(=O)c1ccccc1 96027024 GIXBXIKPFQMZDI-HXUWFJFHSA-N 372.490 2.957 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN[C@H]3CC[C@H](O)CC3)C2=O)cc1 244872762 WDXNOJFQONEAKT-ONTIZHBOSA-N 374.525 2.557 0 50 FFAA Cc1ccc2nc(O)cc(C(=O)NC3CCN(C4CCOCC4)CC3)c2c1 253536841 PUZGPRIALHAXRK-UHFFFAOYSA-N 369.465 2.622 0 50 FFAA COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)c(OC)c1 298166417 YUIPROBNNMZQDD-INIZCTEOSA-N 356.378 2.774 0 50 FFAA COc1ccc2oc(CNC(=O)N3CC[C@@H](n4nc(C)cc4C)C3)nc2c1 534647172 ONFFTBBNUOGWER-CQSZACIVSA-N 369.425 2.806 0 50 FFAA CC[C@H]1CCCC[C@H]1OCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 184564598 XEJKXXPRFABUBS-QFBILLFUSA-N 374.481 2.662 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102024024 QHAMATQQPPDPAK-UOVPBQLFSA-N 365.408 2.999 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N[C@@H]1CCNC[C@H]1O 299758286 LCXGGBGJTMPUCK-WOJBJXKFSA-N 369.465 2.543 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)COc3ccc(F)cc3F)[C@H]2C1 299786449 KPXUBKVTHOHPDJ-RPVQJOFSSA-N 355.381 2.529 0 50 FFAA C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)Cc1cccc2ccccc12 584896913 FDXRIQHPCXXPFG-QGZVFWFLSA-N 369.509 2.774 0 50 FFAA CC(=O)N1CCN(C(=O)NCc2cc(COc3ccccc3)cs2)CC1 584896379 RCHCILJHSUQHOV-UHFFFAOYSA-N 373.478 2.701 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCOc4ccc(CO)cc4C3)n[nH]2)s1 952983664 WJVRALRVIFYWKO-UHFFFAOYSA-N 369.446 2.974 0 50 FFAA CNS(=O)(=O)c1cccc([C@@H](C)NCc2nc(-c3ccccc3)c[nH]2)c1 170085164 WCGBSFDKPVCLJB-CQSZACIVSA-N 370.478 2.836 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc2c(nc1O)CCCC2 1506402643 JASGNPKMCUTITP-UHFFFAOYSA-N 354.385 2.954 0 50 FFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCCN(C(=O)C2CC2)CC1 1772706224 QQDFXPLGGIELPT-UHFFFAOYSA-N 357.841 2.973 0 50 FFAA CC1(CCC(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)CC1 12090741 KFXKHQCSBBAMFG-MRXNPFEDSA-N 361.530 2.548 0 50 FFAA O=C1C[C@H](NCc2nc3ccccc3[nH]2)CN1CCc1ccc(F)cc1 12301830 YNTDJYLYRIZKGG-INIZCTEOSA-N 352.413 2.635 0 50 FFAA O=C(c1cccs1)[C@@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 12472347 ICFHYULPHTYFTG-GFCCVEGCSA-N 355.423 2.683 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3CCCO3)CC2)c1 15064552 MWRKHVZEBRSNLF-GOSISDBHSA-N 360.454 2.832 0 50 FFAA OCc1cccc(CO)c1-c1cccc(-c2c(CO)cccc2CO)c1 19909209 HVASWYBPCAVSMF-UHFFFAOYSA-N 350.414 2.990 0 50 FFAA O=C(CCC(F)(F)F)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857683401 RXGKSLRMBSARJK-MRXNPFEDSA-N 356.344 2.605 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1N 1857714672 GZWFAXSHKLCBTB-KFKAGJAMSA-N 374.460 2.550 0 50 FFAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875247259 HVVCQKKIJYPSTG-LJQANCHMSA-N 364.445 2.996 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@@H]1c1ccncc1 216805810 QGOBDWVIVQXLGD-MSOLQXFVSA-N 365.433 2.622 0 50 FFAA Cc1cc([C@H]2CN(S(=O)(=O)c3cn(C(C)C)cn3)CCO2)ccc1F 122606914 GCHLTDFYELVGOV-MRXNPFEDSA-N 367.446 2.674 0 50 FFAA COc1ccc(C[C@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)c(O)c1 13481984 FMFZMWWKEGLLRS-NSHDSACASA-N 360.362 2.563 0 50 FFAA biogenic,in-vitro Cc1ccc(-n2cc(S(=O)(=O)N(C[C@@H](C)O)c3ccccc3)cn2)cc1 134118941 LXCMJHYPBZDSPA-MRXNPFEDSA-N 371.462 2.757 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@H](C)c2cncc(F)c2)[C@H]1c1cnn(C)c1 952887249 MEIQKYLBABDTHL-LPMFXHHGSA-N 359.449 2.605 0 50 FFAA Cc1cc(F)ccc1C(=O)NC[C@H]1C[C@H](c2nc(C3CC3)no2)C[C@H]1O 952848933 NZOWWIBKBLNTHK-WOSRLPQWSA-N 359.401 2.679 0 50 FFAA CCOC(=O)c1cnn(-c2ccc(C(=O)NC[C@H]3CCS3)cc2)c1C 1875270091 FGWGSYJTVKZTAV-OAHLLOKOSA-N 359.451 2.593 0 50 FFAA COc1ccccc1[C@@H](C)CNC(=O)Cc1cnn(-c2ccccc2)n1 1875252829 PWNWCZYQOJTRSW-HNNXBMFYSA-N 350.422 2.738 0 50 FFAA C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-c2ccccc2CN)cc1 1875287770 YVZXVCURNYPUSJ-HNNXBMFYSA-N 351.450 2.553 0 50 FFAA CC(F)(F)c1ccc(CNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)nc1 1875312051 GUYQYPOLQUMTKL-HXUWFJFHSA-N 373.403 2.658 0 50 FFAA C[C@H]1[C@@H](N=c2nc(C3CC3)[nH]s2)CCCN1C(=O)CCc1ccoc1 1875303234 GBGSAKDIWIIUHJ-WFASDCNBSA-N 360.483 2.855 0 50 FFAA Cn1nc(C(F)(F)F)cc1CNCc1cccc(C2(C)OCCO2)c1 883128858 YHVHZKJRKKZEEK-UHFFFAOYSA-N 355.360 2.948 0 50 FFAA CN1CCO[C@@H](CN[C@H]2CC(C)(C)Cc3occc32)[C@@H]1c1ccnn1C 886085412 OHAIELGMRBXNBL-SNRMKQJTSA-N 358.486 2.688 0 50 FFAA CCn1nncc1S(=O)(=O)N1CC=C(c2cccc3ccccc23)C1 2325794899 VUUXHHVYSJRDLG-UHFFFAOYSA-N 354.435 2.539 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)C[C@@H](C)NC4)cc2NC1=O 2325814020 DUZIRYWWEWOHEG-NEPJUHHUSA-N 351.406 2.693 0 50 FFAA O=C(N1CCN(c2ccc(Br)cc2)CC1)N1CC[C@@H]1CF 2325868227 SSDLECISRCPBTG-CQSZACIVSA-N 356.239 2.735 0 50 FFAA O=C(Cc1cc(C2CC2)on1)N[C@@H]1CCC[C@@H](NC(=O)CC2CCC2)C1 2325868230 SSFGCZDNHCZVTC-HZPDHXFCSA-N 359.470 2.828 0 50 FFAA COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1157113 WMTDFRXOCPYYOW-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA CCOC(=O)c1c(C)n(OCc2ccccc2)c2ccc3c(no[n+]3[O-])c12 1191489 ZVRUUCJURYVUBN-UHFFFAOYSA-N 367.361 2.530 0 50 FFAA COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2C1=O 2269133 GAPYEFRTQPMFNN-UHFFFAOYSA-N 368.389 2.580 0 50 FFAA CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)cn1 2356137992 DLPYLHVBXXHHFS-LBPRGKRZSA-N 370.844 2.918 0 50 FFAA CN1Cc2ccc(CN(C)C(=O)c3cccc(-c4cncc(N)n4)c3)cc2C1 2356149044 GZGDIYYTLBRPTH-UHFFFAOYSA-N 373.460 2.943 0 50 FFAA O=C(Nc1cccc2ccccc12)N1CCN(C(=O)[C@H]2CCCO2)CC1 2883449 WKJARKICIABSAR-GOSISDBHSA-N 353.422 2.695 0 50 FFAA CCc1nc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)n[nH]1 2356170774 ITLBFICLKGRXDS-FQEVSTJZSA-N 353.470 2.524 0 50 FFAA C[C@H](Sc1nncn1C)C(=O)Nc1nnc(C2CCCCC2)s1 8883028 BRACCHVSEKBLHB-VIFPVBQESA-N 352.489 2.834 0 50 FFAA CCOC(=O)Cn1ccc2cc(N3C(=O)N4CCC[C@@]4(C)C3=O)ccc21 225556754 CJWJSBWHUICGOV-IBGZPJMESA-N 355.394 2.526 0 50 FFAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)c(F)c3)C2)cc1 111754373 SIHMISYJAHDIJO-CYBMUJFWSA-N 357.385 2.955 0 50 FFAA Fc1ccc(-c2n[nH]cc2CNCCc2nc(-c3cccnc3)no2)cc1 55225755 PXAXVGNDVUOGFU-UHFFFAOYSA-N 364.384 2.993 0 50 FFAA Cc1nnnn1-c1ccc(NC[C@@]2(c3cccc(F)c3)CCOC2)cc1 20864970 NDDNBALJGQAOHH-IBGZPJMESA-N 353.401 2.880 0 50 FFAA Cc1ccc2nccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)c2c1 20869360 JRZVJBSCKPPCPO-LJQANCHMSA-N 364.449 2.863 0 50 FFAA Cc1ccccc1-c1ccc(C(=O)NCc2nonc2C)c(N(C)C)n1 20908193 KNPAUBWVXDWXPX-UHFFFAOYSA-N 351.410 2.744 0 50 FFAA C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 229428719 LCHXPRGVEGQBNL-XYJFISCASA-N 369.465 2.567 0 50 FFAA O[C@@]1(CN2CCC(Cc3noc(C4CC4)n3)CC2)CCCN2CCCC[C@@H]21 63848520 VDYCVMFHEDSDTD-WIYYLYMNSA-N 374.529 2.581 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1nc(-c2ccccc2)no1 65384858 NSRACYWHJRIWQE-UHFFFAOYSA-N 353.426 2.678 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(-c2cccn2C)n[nH]1 67678930 FRODZDKDWVIMFR-UHFFFAOYSA-N 352.442 2.679 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(Cn2ccc3ccccc32)o1 72435012 RJTPKVXATVLPTO-OAHLLOKOSA-N 368.389 2.598 0 50 FFAA O=C(Nc1ccc(F)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528318 RGCYVIXRIUPTLM-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA Cc1ccccc1CSCCNC(=O)CCc1cc2n(n1)CCCNC2 72439071 WYHJHPYHGRNQMY-UHFFFAOYSA-N 372.538 2.667 0 50 FFAA Cc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c2c(c1)[C@@H](C)CCN2 253432094 ZSLILLPSMIKYSO-SOUVJXGZSA-N 360.454 2.707 0 50 FFAA COc1ccc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)c(OC)c1C 39490120 VSKPUHDVOJXOGH-LJQANCHMSA-N 362.514 2.847 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2ccco2)[C@@H]2C3CCN(CC3)[C@H]12 72161963 JYXZPXNOLXLOSL-NSISKUIASA-N 352.434 2.991 0 50 FFAA Cc1cc(N2CC[C@@H](N3CC(C)(C)O[C@@]4(C[C@@H]5CC[C@H]4C5)C3)C2=O)n(C)n1 333028899 ADIMLLAHWQVHEN-WOYCLPQFSA-N 372.513 2.503 0 50 FFAA CC[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 72117867 HFMOMIWGIPOOFH-MRXNPFEDSA-N 353.465 2.520 0 50 FFAA COc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)nn1 282620067 ZTZQDMGCONDANW-DOMZBBRYSA-N 353.344 2.812 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCCO[C@@H](Cn4cccn4)C3)c2c1 77457549 FHIGFSCUQDSCIX-QGZVFWFLSA-N 364.449 2.979 0 50 FFAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(CC(=O)Nc2cnn(C)c2)C1 71749282 QXAGOHWOFHRDGK-AWEZNQCLSA-N 374.872 2.915 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cnn1Cc1ccccc1 237752782 QCJYBBVNZKBWPB-QGZVFWFLSA-N 355.438 2.957 0 50 FFAA CCn1c(CC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccccn1 13331767 KDUOAFRAQLYFHK-UHFFFAOYSA-N 355.829 2.872 0 50 FFAA O[C@@H]1CCCN(CCCNc2cc(-c3ccccc3F)nc3ccnn23)C1 72161515 DOGDFOXHHFQGJA-OAHLLOKOSA-N 369.444 2.794 0 50 FFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 241693884 QIORMXUTFVHXHU-CYBMUJFWSA-N 374.359 2.596 0 50 FFAA C[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(N2CCCC2=O)cc1 242273562 YDVWDIQSVDYEJQ-GTZSGAPKSA-N 368.433 2.514 0 50 FFAA CC[C@H]1COCCN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 82120217 JKMOKFVZBYANOE-NSHDSACASA-N 358.510 2.980 0 50 FFAA CSc1ncccc1C(=O)N1CC(=O)N(c2cccc(C)c2)C[C@@H]1C 82171962 NJGLNIXWFZVTLO-AWEZNQCLSA-N 355.463 2.989 0 50 FFAA Cc1ccc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)cc1OCCN 426684560 UEMIMUSOSLNVEZ-UHFFFAOYSA-N 354.450 2.976 0 50 FFAA Cc1nc(O)nc(O)c1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 426535919 QYWPXUKUOHNMIZ-INIZCTEOSA-N 371.437 2.894 0 50 FFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(F)ccc1OCCN 426739683 HFTRXOFBBJQUPI-CQSZACIVSA-N 360.429 2.875 0 50 FFAA CCCn1ccnc1CN1CCC(Oc2ccccc2OC)(C(=O)O)CC1 82097318 AOOJXENEEUEEIG-UHFFFAOYSA-N 373.453 2.800 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc2c(cc1C)OCCO2 220520888 OILWRWLVXKTDQB-SJORKVTESA-N 361.438 2.636 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCCc1cn[nH]c1 82137061 IWEDLAVVEKEUPK-ZDUSSCGKSA-N 360.845 2.650 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2cn(C)nc2C)cc1 97766730 MEFXQINHRJICCW-UHFFFAOYSA-N 350.422 2.975 0 50 FFAA Cc1ccc2c(C)cc(N3CCC4(CC3)NC(=O)C[C@@H]4C(=O)O)nc2c1C 95381100 MLTDZQOOWOZGDE-MRXNPFEDSA-N 367.449 2.720 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91707171 MWGHOAOYNKZZFP-OAQYLSRUSA-N 372.513 2.906 0 50 FFAA OCCn1nc(Cc2cccs2)nc1[C@H](c1cccnc1)N1CCCC1 96166474 RZLGKKAVZNPGOD-SFHVURJKSA-N 369.494 2.503 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)cc1O 95500564 FKGUHRNBIYBOLD-UHFFFAOYSA-N 370.497 2.869 0 50 FFAA COc1ccc(NC(=O)CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1Cl 244646868 GQNAGGHCODXVOW-GFCCVEGCSA-N 363.849 2.593 0 50 FFAA Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 251072034 IWVAHYRXZRKEHN-CVYDXHPNSA-N 364.511 2.763 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 299742453 JGMSNNHVUQHNLC-BNOWGMLFSA-N 352.228 2.876 0 50 FFAA Cn1c(C(=O)N(CC(=O)O)C2CCOCC2)ccc1-c1ccc(F)cc1 299752984 WIABYECCRNYBDH-UHFFFAOYSA-N 360.385 2.537 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1 534663493 JWJYXBNCXUVWJC-HNNXBMFYSA-N 364.453 2.615 0 50 FFAA O=C(COc1ccccc1)N1CCCN(C(=O)Nc2ccccc2)CC1 45779446 LGXUSTVEOITFFC-UHFFFAOYSA-N 353.422 2.832 0 50 FFAA Cn1nc(C2CC2)cc1NC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 299799221 VXBSHTJHZKBGSZ-MRXNPFEDSA-N 355.442 2.906 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2ccc(OC)cc2C)c1C 824424427 XEMPBWURYWBOPS-UHFFFAOYSA-N 356.422 2.941 0 50 FFAA CC(=O)N[C@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)C1CCCC1 187184640 GNILWFJHIBFBIU-KRWDZBQOSA-N 355.442 2.630 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)Cc3cccc(F)c3F)CCO2)o1 275317573 IWDXWJYNXISNAY-ZDUSSCGKSA-N 351.353 2.614 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1C 170620835 GOQNALHMCVYLFM-UHFFFAOYSA-N 373.434 2.592 0 50 FFAA CC(C)(C)n1cc(CN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)nn1 191289809 ZTOXABXDLNJHJR-HNNXBMFYSA-N 360.437 2.568 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 192412094 VVHIHSRDHDEMQZ-QPUJVOFHSA-N 357.193 2.714 0 50 FFAA Nc1ncccc1CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1616081158 LRXYIABFAHZNQP-MOPGFXCFSA-N 350.466 2.502 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cc(C)on3)CC1)OCC2 1704297608 AQTMKJAVGKGGHQ-UHFFFAOYSA-N 372.421 2.704 0 50 FFAA CC1=CC2(CCN(C(=O)CN3C[C@@H](c4ccccc4)CC3=O)CC2)OCC1 1704340850 NRLRDDIREWUBAU-IBGZPJMESA-N 368.477 2.730 0 50 FFAA CCOc1ccc(CCCC(=O)N(CC(=O)O)Cc2cnc(C)[nH]2)cc1C 1772701414 MCUUFUVGQWTZMU-UHFFFAOYSA-N 373.453 2.861 0 50 FFAA CCn1ccnc1CN[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11935279 HPYJOMJWRNNZRU-AWEZNQCLSA-N 366.387 2.813 0 50 FFAA COCC1(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)CCC1 1857671419 RSIILAFCLKMNKY-CSODHUTKSA-N 357.450 2.880 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857710782 PHHQXIPVGIASMX-ZZLPTCMGSA-N 363.457 2.894 0 50 FFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857724534 GNRCKJPQOBBLAG-IIBYNOLFSA-N 372.428 2.787 0 50 FFAA CCOc1cccc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c1 1857740742 XPPLRYQZNYVKKV-GPQLQYNLSA-N 370.493 2.705 0 50 FFAA CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]12 4015523 VGLOFWHLPMVSBF-YJUFFEMBSA-N 370.401 2.955 0 50 FFAA in-vitro C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)CCC[C@H]1C 252202270 UIZLJZJAVGYIIK-WWGRRREGSA-N 352.456 2.746 0 50 FFAA COCCN(C)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 20782107 MZEXYVSYEWTIBX-NRFANRHFSA-N 372.509 2.637 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(Cc3ccc4c(c3)CCO4)C1)CC2 1704330363 BOEWIOVFXPCJOK-QFIPXVFZSA-N 364.493 2.958 0 50 FFAA Cc1cnc([C@@]2(NC(=O)c3cccc(C(F)(F)F)c3F)CCOC2)[nH]1 818675134 YWKMNVALVFGNDX-OAHLLOKOSA-N 357.307 2.922 0 50 FFAA Cc1ccc(C2CC2)c(C(=O)NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)c1 825157418 AXNBIGIZWNUJMJ-HDMKZQKVSA-N 354.454 2.583 0 50 FFAA O=C(NCc1nc(-c2cccs2)n[nH]1)N[C@H]1CCc2cc(O)ccc2C1 1875265102 ADPFJVQUNILMLH-ZDUSSCGKSA-N 369.450 2.596 0 50 FFAA COc1cc(C)c(CNC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)n1 888078752 UPZKXCKGCCKQJZ-UZLBHIALSA-N 358.486 2.925 0 50 FFAA COc1ncc(Cl)c(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)n1 888078698 NAGOEFDJTUQZIS-ONGXEEELSA-N 351.794 2.589 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 18227510 LSVIKINMUCOCCD-UHFFFAOYSA-N 358.448 2.933 0 50 FFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cn1cnc2ccc(F)cc2c1=O 2325731112 GMTUXORZTOGWJE-GOEBONIOSA-N 365.408 2.940 0 50 FFAA COc1cccc2c1CCN(C(=O)[C@H]1CCCN(C(C)(C)C)C1=O)CC2 2325762189 UEMDBDQOZDYFHX-QGZVFWFLSA-N 358.482 2.660 0 50 FFAA O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)NC1CCOCC1 151746758 YNSRKXDWEAWSQE-UHFFFAOYSA-N 362.433 2.907 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC 753126 SVODLOHQHOXFMB-CYBMUJFWSA-N 369.215 2.649 0 50 FFAA COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cn2)c1 1005386 XRLFQUYRDNBNLV-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA Cn1cc(CN2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)cn1 12053148 RPHCGRMSVSKQDJ-FQEVSTJZSA-N 356.445 2.574 0 50 FFAA Cc1nc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)cs1 2356149208 PGNWUKPVJONQLC-LJQANCHMSA-N 370.478 2.644 0 50 FFAA CN1CC[C@H](O)[C@@]2(CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 2356155703 KFILVDIVOZGQIY-IRXDYDNUSA-N 358.404 2.864 0 50 FFAA Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1C 4701630 URPBODOJHVGHRU-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCC(C)C 6698159 HFVQSFAMBAMCRA-UHFFFAOYSA-N 352.500 2.801 0 50 FFAA CC(=O)N(C)c1ccc(OCc2nnnn2-c2ccc(C)cc2C)cc1 6760657 PBTOHMODWPOXCR-UHFFFAOYSA-N 351.410 2.841 0 50 FFAA CCC[C@H](C)c1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 59759831 FJKZVCXNSQAHAQ-NSHDSACASA-N 353.492 2.774 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)n3)C2=O)cc1 100115780 DMJQWIMLNPOFCL-OAHLLOKOSA-N 357.435 2.916 0 50 FFAA C[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccc(S(C)(=O)=O)cc1 65488063 YNEDKKCADUQALO-AWEZNQCLSA-N 369.446 2.767 0 50 FFAA O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1cccs1 20102115 QIMXOTFYEFMQJS-UHFFFAOYSA-N 374.429 2.805 0 50 FFAA COc1ccccc1OC1CN(c2ncnc3sc4c(c23)CCNC4)C1 65527798 UBUUVFMUUJSLLU-UHFFFAOYSA-N 368.462 2.613 0 50 FFAA Cc1sc2nc(CCN)nc(N[C@@H](CO)Cc3ccccc3)c2c1C 65387926 JBVLGMGHHYIFHU-OAHLLOKOSA-N 356.495 2.825 0 50 FFAA Cc1cc(=O)[nH]c(NCCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)n1 65535556 AHVWUCLZTGSIKZ-MRXNPFEDSA-N 365.437 2.558 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1 67603925 SZBNEOCWRGTUGD-UHFFFAOYSA-N 350.484 2.733 0 50 FFAA NC(=O)c1ccnc(N2CCC(CO)(CCCc3ccccc3)CC2)c1 67948128 FPMJXWSCCBHKTO-UHFFFAOYSA-N 353.466 2.782 0 50 FFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@H](N1CCOc3ccccc3C1)C2 67604235 ACBCOGQDMDYWEZ-INIZCTEOSA-N 369.465 2.989 0 50 FFAA CCN1CCC(N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)CC1 22851582 RVTUOWUVRAFNHI-FQEVSTJZSA-N 374.548 2.896 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCc3nccn3C(C)C)nc2)C1 67773650 VXEOKRCLERSDCT-INIZCTEOSA-N 371.485 2.970 0 50 FFAA COC(=O)c1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 20726388 ORXIONVFTKZVNC-UHFFFAOYSA-N 354.406 2.558 0 50 FFAA C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 229703984 XHUVQLXAJPBOGD-ZIAGYGMSSA-N 364.515 2.631 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cc3ccccc3oc2=O)s1 63869191 NHWUXMSOYRRHJG-UHFFFAOYSA-N 361.448 2.865 0 50 FFAA CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC 3875494 ZFOZVQLOBQUTQQ-UHFFFAOYSA-N 360.447 2.528 0 50 FFAA biogenic,in-man CC[C@H](C)c1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1 6954620 VSECGDYDZFHYRH-LBPRGKRZSA-N 367.496 2.651 0 50 FFAA c1cncc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 72162762 OPGXSEKOZMTTBU-VLCRHTCISA-N 363.461 2.873 0 50 FFAA COCc1cc(N2CCC[C@@H](C(=O)c3ccccc3)C2)n2nccc2n1 72427269 KSXUCBIRGSBTDH-MRXNPFEDSA-N 350.422 2.975 0 50 FFAA O=C(C[C@@H]1COCCN1Cc1ccc(Cl)c(F)c1)NC1CC=CC1 72470694 WZGZFIKXZVZYQO-OAHLLOKOSA-N 352.837 2.905 0 50 FFAA Cc1ccccc1C(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528409 NMNDGWAQSOJEJD-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA COc1ccc(CCNC(=O)CN2CCC[C@@H]2c2nc(C(C)C)no2)cc1 77436950 RQLHGEWOHPHBCH-QGZVFWFLSA-N 372.469 2.697 0 50 FFAA CCS(=O)(=O)C1CN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 456289460 LTQZMLUQTIYYAM-UHFFFAOYSA-N 370.883 2.723 0 50 FFAA CN1CCN(c2cc(CN[C@@H]3CCCc4ccc(O)cc43)ccn2)CC1 284162709 PXVJHKCGRDWSHH-HXUWFJFHSA-N 352.482 2.706 0 50 FFAA O=S(=O)(c1ccccc1OC(F)(F)F)N1CC(c2cccnc2)C1 72150695 BDDFLYJQAHAPKQ-UHFFFAOYSA-N 358.341 2.768 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 77321081 JQBMDCXMJWSKIG-IKGGRYGDSA-N 354.450 2.582 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)C2)cc1 378230479 GXVYEQMFENEOID-SLFFLAALSA-N 370.493 2.732 0 50 FFAA COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1OC 378586777 GAWUIBHUZTWPTJ-CGTJXYLNSA-N 360.498 2.968 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 174868635 ULMTVCUCSJWBFH-OALUTQOASA-N 367.449 2.583 0 50 FFAA CCCC(=O)N1CCC(N[C@@H]2CCOC[C@H]2OCc2ccccc2)CC1 220232299 CCQHRLDSHVZFAB-WOJBJXKFSA-N 360.498 2.741 0 50 FFAA CCN1C[C@@H](C(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1=O 82098965 DBBIGIQDFVMJMG-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)C(=O)NC1CCN(C2CCCC2)CC1 176008868 SLTKNOONGUTRAG-SFHVURJKSA-N 373.497 2.875 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1nc(C(C)C)cs1)CC2 426496879 KCJIVGPUAMIDAS-QILLFSRXSA-N 354.516 2.787 0 50 FFAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)C2(c3ccccc3)CC2)cn1 222796204 IUYJFDANNGKXPM-MOPGFXCFSA-N 352.434 2.774 0 50 FFAA CCN(C(=O)c1ccc(-c2ccc3c(c2)CCC3=O)cc1)[C@H]1COC[C@@H]1O 426575152 SPEVSORQWKQGBO-FPOVZHCZSA-N 365.429 2.704 0 50 FFAA O=C(O)c1cnc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)cn1 263578766 SZQIVPXWDKATAI-UHFFFAOYSA-N 357.385 2.941 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)no1 223199294 LWLVILVOGAQYID-KRWDZBQOSA-N 352.394 2.829 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc2c(c1)CCO2 426531589 LMTMNLOPHGIFAH-INIZCTEOSA-N 354.406 2.603 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]2C[C@H](O)C2)c1 223722937 LRTNLQRFGAUJLH-HQRMLTQVSA-N 352.434 2.821 0 50 FFAA CC[C@@H](C(=O)N[C@@H](C)c1ccn(C)n1)n1nc(C(F)(F)F)c2c1CCC2 20607675 QFPZIGBTPFNKJJ-GWCFXTLKSA-N 369.391 2.953 0 50 FFAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc(OC(F)F)cc1 220235505 LOBYCCZAZWJMHM-HOTGVXAUSA-N 355.381 2.850 0 50 FFAA CCCn1cnnc1[C@@H](C)NC(=O)Nc1cnn(Cc2ccccc2F)c1 426409134 AWZNWGLCWJAIJX-CYBMUJFWSA-N 371.420 2.955 0 50 FFAA Cc1cc2nc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)cc(C)n2n1 92062121 XLTDUIWOAFNDFR-QGZVFWFLSA-N 365.437 2.563 0 50 FFAA NC(=O)Cc1nc(-c2cnn(Cc3ccccc3)c2)n(C2CCCCC2)n1 95509544 JLFLEDFMSMBNNR-UHFFFAOYSA-N 364.453 2.723 0 50 FFAA Cc1ccc([C@@H](C(=O)NCCNC(=O)c2ccccc2Cl)N(C)C)cc1 91695156 FMXHBFJKWSJDMM-SFHVURJKSA-N 373.884 2.797 0 50 FFAA C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 239347111 MDEGNVHESXQNCJ-DVYJOKAKSA-N 353.205 2.835 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)c1 95527806 AXPOCIFHIQUACH-GOSISDBHSA-N 363.461 2.630 0 50 FFAA CSc1cccc(NC(=O)NCC[C@H]2CCCCN2S(C)(=O)=O)c1 96131500 HPZYQJVNRIZQJU-CQSZACIVSA-N 371.528 2.734 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1nc3ccccc3[nH]1)CC2 91504686 MAEBRMURQQTTID-UHFFFAOYSA-N 370.497 2.804 0 50 FFAA COc1ccc(CN2C[C@H](CO)[C@H](CN3CCCC3)C2)c2ccccc12 91746347 RQQOADUHZMSSAF-RTBURBONSA-N 354.494 2.985 0 50 FFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C(C)(C)N)cc1 91985719 KCQUOTCAZPVWPK-MRXNPFEDSA-N 356.470 2.748 0 50 FFAA O=C(c1ccc(Cl)s1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91745391 AENAEKRLDHEMLV-ZIAGYGMSSA-N 356.919 2.958 0 50 FFAA Cc1cc([C@H]2CCCN2CCN2CCN(Cc3ccccc3)CC2)on1 244723761 MGUKRVHEVZXTBM-HXUWFJFHSA-N 354.498 2.938 0 50 FFAA O=C(CCc1cn2ccccc2n1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244626475 FMKDFQAUAPJIFH-FRIZHTMISA-N 355.463 2.957 0 50 FFAA CCN1CCC(CNC(=O)Nc2cccc(-c3ccn[nH]3)c2)(N(C)C)CC1 252487713 IAJDKZPTSIZGNT-UHFFFAOYSA-N 370.501 2.614 0 50 FFAA CC[C@H](COC)NC(=O)c1ccc(-c2cc(C(N)=O)ccc2OC)cc1 534646489 FRAHNLKATHDMGV-MRXNPFEDSA-N 356.422 2.616 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC)c(C)c1C)C2 299763093 GPGDNQGCZSKMAY-UHFFFAOYSA-N 356.470 2.551 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@H]3CCCCn4nnnc43)cs2)c1 299765236 DEHNERCSXORKML-HNNXBMFYSA-N 368.466 2.689 0 50 FFAA Cc1cnn(CCCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)c1 299797964 DEJPAKWODLDDKY-ZCNNSNEGSA-N 352.482 2.923 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccccc1)[C@H]1CCCN(C2CCOCC2)C1 299771038 YPFZZWRBXBKTDZ-KRWDZBQOSA-N 368.481 2.584 0 50 FFAA COc1ccc2cc(C(=O)Nc3nnc(C)s3)sc(=O)c2c1OC 824519336 BZJRAQWOLVPSLZ-UHFFFAOYSA-N 363.420 2.691 0 50 FFAA Cc1ccc(SCc2ccc(C(=O)N[C@@H]3[C@H]4OCC[C@H]4[C@H]3N)o2)cc1 1565528168 MFOPSAKXTLBIOU-RANZSIQMSA-N 358.463 2.725 0 50 FFAA CN1CC[C@@H](NC(=O)c2cc(C3CC3)[nH]c(=O)c2)[C@@H]1c1ccc(F)c(F)c1 186283613 PYKAVAPSMYAYEL-APWZRJJASA-N 373.403 2.706 0 50 FFAA COc1ccccc1-c1nc(C2CCN([C@H](C)C(=O)NC3CC3)CC2)no1 276768070 HESPOSWWEXWEEO-CYBMUJFWSA-N 370.453 2.592 0 50 FFAA O=C(c1cc2sc(N3CCCC3)nc2s1)N(CCO)CC(F)F 279800051 LYFUCMLPUDJWHT-UHFFFAOYSA-N 361.439 2.658 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)cs1 280288293 QXBUDFMWDUUEFY-UHFFFAOYSA-N 373.478 2.620 0 50 FFAA COc1ccccc1N1CCC(Nc2ncccc2S(C)(=O)=O)CC1 192086683 FYINTVCORHZYJE-UHFFFAOYSA-N 361.467 2.575 0 50 FFAA CN(C(=O)c1nc2cccnc2s1)[C@H]1CCN(Cc2ccccc2)C1=O 194033037 SIFQJLFJGSOJHI-HNNXBMFYSA-N 366.446 2.564 0 50 FFAA COc1cccc([C@H](O)C(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 764850401 DUJPQYKPYIGHJH-SFHVURJKSA-N 369.421 2.995 0 50 FFAA COc1cccc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c1OC 222000136 YXHPTCNNVTUJET-CVEARBPZSA-N 373.380 2.783 0 50 FFAA CC(C)n1nccc1C(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704351998 VBIGJMYTEQCVNN-UZLBHIALSA-N 364.449 2.688 0 50 FFAA COc1c(F)ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1F 1772710595 BWYCIUHWJGOYNA-UHFFFAOYSA-N 362.376 2.692 0 50 FFAA Cc1ccccc1C(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697481 UWVDABYTQNYGKF-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA O=C(c1ccccc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697915 NQJBNLYVICPCRD-UHFFFAOYSA-N 360.421 2.578 0 50 FFAA O=C(c1cscn1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12055294 CKVCJVVPLHFHEX-LJQANCHMSA-N 373.453 2.937 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1(c2ccccc2)CC1 14968524 KTUYCIHCFOPIDX-JOCHJYFZSA-N 368.452 2.958 0 50 FFAA C[C@@H]1CN2C[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2CO1 1857667117 IMWVQEPLMYQVPW-JLLWLGSASA-N 362.779 2.950 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1csc(-c3ccccc3)n1)C2 1857671047 MXULNOPHUIINKV-SFHVURJKSA-N 357.435 2.867 0 50 FFAA Cn1cncc1CN1CCC2(CC1)CN(CC1CCCCC1)C[C@@H]2C(=O)O 1857689333 NMQZFOTVMTXJTA-LJQANCHMSA-N 374.529 2.599 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@]23CC[C@H]1O3 1857727636 VYFOQNKTTZLLJG-DOIPELPJSA-N 370.472 2.552 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)cc1 1857732397 OMDQHNHIRLBSMG-JZJXAQOMSA-N 366.461 2.997 0 50 FFAA COc1ccnc(NS(=O)(=O)c2ccc(OC)cc2Br)c1 225465220 ISOUZKGSZAXQHE-UHFFFAOYSA-N 373.228 2.662 0 50 FFAA C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 113304694 XMXKFYBRAAEKQB-IBGZPJMESA-N 358.463 2.528 0 50 FFAA C[C@@H]1CN(CCC(=O)NCC2CCOCC2)Cc2cc(Cl)ccc2O1 12028205 NFYKVGOTSZFEID-CQSZACIVSA-N 366.889 2.856 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 262042579 AQGOQHBTPMEURS-AYVTZFPOSA-N 367.808 2.875 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c2cc(F)ccc2n1 1704336947 NIGUAJYTOSDYMU-TZIWHRDSSA-N 371.456 2.601 0 50 FFAA CC(C)[C@@H]1CCO[C@@H]1c1nc(-c2cccc(N3CCN(C)CC3)n2)no1 952845746 PZGHVWOWPREVPG-YOEHRIQHSA-N 357.458 2.617 0 50 FFAA C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)c1cscn1 875447398 IIAXSVJEDQFZFH-BDAKNGLRSA-N 372.372 2.612 0 50 FFAA O=S(=O)(CC(F)(F)F)Nc1c(-c2ccc(F)cc2)nc2ncccn12 1875340103 LLNFKLZUNPZDNO-UHFFFAOYSA-N 374.319 2.839 0 50 FFAA CC[C@H](CNC(=O)C1(C(C)(C)C)CCC1)NC(=O)[C@@H]1CCCC[C@H]1O 1875332717 GJLFQULRPJEMAU-BZUAXINKSA-N 352.519 2.765 0 50 FFAA c1cnc(-c2cc(=NCC3(N4CCSCC4)CCCCC3)[nH]cn2)nc1 1875326759 UBAPNADLOZHKHC-UHFFFAOYSA-N 370.526 2.519 0 50 FFAA N[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1-c1nc2ccccc2s1 1875304709 RLCICLFQUHQSDO-KZVDOYCCSA-N 365.462 2.609 0 50 FFAA Cc1ncoc1CN(C)CC(=O)NCc1ccc(F)cc1C(F)(F)F 1875321626 OWNLPJVNUZHQQL-UHFFFAOYSA-N 359.323 2.889 0 50 FFAA O=C(C1CN(c2ncc(F)cn2)C1)N1CC2(CCCC2)[C@@H]1c1ccco1 1875404227 ADNQKPNWVMCZJP-INIZCTEOSA-N 356.401 2.789 0 50 FFAA O=S(=O)([C@@H]1C[C@H]1c1cccc(F)c1)N1CC(F)(c2cccnc2)C1 1875404726 RNKJGBWHPFSHDL-JKSUJKDBSA-N 350.390 2.587 0 50 FFAA O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(F)cc1 1427699 CMZJWPHGUDNCEL-CQSZACIVSA-N 367.332 2.886 0 50 FFAA COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 19790828 GAMSQVKKCPMMDJ-IBGZPJMESA-N 370.493 2.874 0 50 FFAA CCc1ccc([C@@H]2CN(C(=O)c3cnn4cc(OC)ccc34)CCN2)cc1 2325755802 XAKHYVVCZXIQNZ-IBGZPJMESA-N 364.449 2.692 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)C2(C4=CCNCC4)CCOCC2)C3)cc1 2325778837 RXMLARZRXDCPCE-NZQKXSOJSA-N 366.505 2.811 0 50 FFAA FC(F)c1cccc(CN=c2ccc3nnc(CC(F)(F)F)n3[nH]2)n1 2325792729 IMMMUOMWVLCTPJ-UHFFFAOYSA-N 358.274 2.596 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1cccc(-c2ccncc2)c1 2325797144 PYSFQRXKWHKQCZ-CDHQVMDDSA-N 362.433 2.515 0 50 FFAA O=C(NC[C@H]1NCCc2ccccc21)c1cc(Cl)c2[nH]c(O)nc2c1 2325859090 NPXCKTPSICRMCD-OAHLLOKOSA-N 356.813 2.539 0 50 FFAA CCC[C@H](C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 1049255 DKQISYINQRCFLN-JTQLQIEISA-N 358.423 2.676 0 50 FFAA C[C@]1(O)CCOC2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)C1 2356139223 VFEJAFGHBREPKJ-KRWDZBQOSA-N 353.846 2.511 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 2739288 JOYNFTZYFAUFHS-HOTGVXAUSA-N 360.454 2.625 0 50 FFAA O=C(CN1CC[C@H](c2ccccc2)C1)Nc1nccc(-c2ccccn2)n1 2356152287 XFLSUVXTIFTQKU-KRWDZBQOSA-N 359.433 2.967 0 50 FFAA Cc1ccsc1CNc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)cc1 55088966 OMOXUSMWAJNHGQ-INIZCTEOSA-N 374.462 2.984 0 50 FFAA CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25905073 SKTWZICGODYBFB-IAGOWNOFSA-N 352.500 2.562 0 50 FFAA CS(=O)(=O)C1(CNC(=O)c2ccc3ccc(Cl)cc3n2)CCC1 280826522 RWMRYNKIWUOEMC-UHFFFAOYSA-N 352.843 2.585 0 50 FFAA O=c1cc(-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]1 9668944 HOBDOOHCSQVWAR-UHFFFAOYSA-N 350.397 2.903 0 50 FFAA CN(C)Cc1ccc(N2CCN(C(=O)c3cccc4c3CCC4)CC2)nc1 114415105 IXZODBPLUIXGHC-UHFFFAOYSA-N 364.493 2.594 0 50 FFAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cc2cc(C)ccc2nc1C 55340816 DOMOGJJEGZPZFN-INIZCTEOSA-N 356.422 2.646 0 50 FFAA O=C(C1CC1)N1CCC[C@H](c2nc(Cc3ccc4n[nH]cc4c3)no2)C1 349635855 ZAEICNCEYSXUNK-AWEZNQCLSA-N 351.410 2.653 0 50 FFAA COc1ccc(-c2nnc(SCC(=O)Nc3ncc(C)s3)[nH]2)cc1 10679679 SQDOXAPXIRAKOS-UHFFFAOYSA-N 361.452 2.976 0 50 FFAA Cn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cc2ccccc2o1 10681726 QKPQGXMTZIBGEE-ZDUSSCGKSA-N 372.450 2.616 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)C2)n1 65374860 YAKAXHFEHFTZCA-UHFFFAOYSA-N 361.755 2.603 0 50 FFAA Cc1cc(C)c2c(c1)NC(=O)[C@H]2CC(=O)NCc1noc(-c2ccco2)n1 65526042 UQYARGWYKLLIPP-LBPRGKRZSA-N 366.377 2.689 0 50 FFAA O=C(Cc1cccnc1)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20321978 MBGWATOXXJZHAP-OAHLLOKOSA-N 364.371 2.823 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cn2ccsc2n1 65366013 RGZYYVGRCYWTHC-UHFFFAOYSA-N 355.398 2.993 0 50 FFAA O=C(N/C(=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 22590700 NSPQTJMKTBCIGD-DNKLCNGGSA-N 364.401 2.533 0 50 FFAA COc1cccc(-n2cc(CNc3ccc(-c4nccn4C)nn3)cn2)c1 67982122 UADZMXOCSHCUDW-UHFFFAOYSA-N 361.409 2.684 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccc(-n2cnnc2)cc1)C(C)C 65453357 NLEGOOYGPBJUJT-UHFFFAOYSA-N 352.442 2.668 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O 252481761 CRKPVQYQJRQGIK-CYBMUJFWSA-N 368.437 2.710 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(N2CCOCC2)cc1 69159537 TYHOPXCPROPHSF-MRXNPFEDSA-N 352.434 2.504 0 50 FFAA COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)cc1 72164005 CUBOWPLHZRCFJI-OAHLLOKOSA-N 368.433 2.719 0 50 FFAA Cc1c(Cl)c(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)nn1C 72152482 YXBNCRNDXXSQRQ-ZDUSSCGKSA-N 361.829 2.785 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)N3CCC([C@H]4CCCO4)CC3)cn2)C[C@@H](C)O1 253340687 KTFZEQWEUWAKBG-JTDSTZFVSA-N 373.497 2.726 0 50 FFAA CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@H]3CCCO)cc21 253424731 KHUSJWFOCHVUEH-INIZCTEOSA-N 360.458 2.547 0 50 FFAA COc1ccsc1C(=O)N(Cc1nccs1)[C@H]1CC12CCNCC2 435575784 SZVQDBGIOMBHTM-ZDUSSCGKSA-N 363.508 2.998 0 50 FFAA Cn1c([C@@H]2CCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)nc2c1CCCC2 328631152 KCUVGJGEQGKSEB-LSDHHAIUSA-N 370.419 2.599 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1 328627888 GSENDGMKYVMISC-UFYCRDLUSA-N 354.498 2.894 0 50 FFAA Cc1nc(C2CC(O)C2)cc(N(C)CCc2nc3cc(F)ccc3[nH]2)n1 219312028 WEMLGVXLCMQNNP-UHFFFAOYSA-N 355.417 2.718 0 50 FFAA O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccnc(-c2ccc(Cl)cc2)n1 376975560 UDWDDBNDTKNYFJ-CYBMUJFWSA-N 353.813 2.807 0 50 FFAA CC1(C(=O)NC[C@H](CO)c2cccnc2)CCN(Cc2ccccc2)CC1 377150182 ODEQJGBQFXOICA-HXUWFJFHSA-N 367.493 2.576 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@@H]1c1ccccc1 262883174 KTMXUQMUFJTPTD-IAGOWNOFSA-N 353.422 2.939 0 50 FFAA Cc1cc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)ccc1-n1cccn1 333257532 IGLLKQWSMVDREP-ICSRJNTNSA-N 368.481 2.539 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 159300789 XIXFWLWRZOOQGR-AWEZNQCLSA-N 360.845 2.575 0 50 FFAA COc1cc(F)c(CN2CCCn3nc(CCC(=O)O)cc3C2)c(F)c1 72475155 ZZLUFBCVEVOWGI-UHFFFAOYSA-N 365.380 2.593 0 50 FFAA NCCCOC1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)CC1 237847702 IAXCLURWBYFZLX-UHFFFAOYSA-N 372.444 2.934 0 50 FFAA Cc1ccc(NC(=O)N2CCCN(C)C(=O)C2)c(-c2nc(C3CC3)no2)c1 241447072 NQXJANIRBMHPPT-UHFFFAOYSA-N 369.425 2.618 0 50 FFAA CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)n(C)n1 174031809 DAPGTYOMJZTMPP-UHFFFAOYSA-N 354.454 2.578 0 50 FFAA CN(C(=O)c1ccncc1C(F)(F)F)[C@@H]1CCCN(c2cccnn2)C1 285392003 DJXPJRJVOLLLMH-GFCCVEGCSA-N 365.359 2.631 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccc2cccnc2n1 222479302 PKNQMSWKFKKAQB-MSOLQXFVSA-N 367.380 2.735 0 50 FFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 20542448 WUHGZBFLZGLEEF-IBGZPJMESA-N 372.553 2.993 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCN(Cc3ccccn3)CC2)c1 426581020 RYQVEGWAPMJHTD-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA C[C@H](Cn1cccn1)NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20607009 ZOONJBMCEGQRDX-MRVPVSSYSA-N 357.361 2.669 0 50 FFAA CCc1ccccc1C(=O)N1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91860759 IYOKNWCJOBREBJ-OAHLLOKOSA-N 372.465 2.567 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239090929 HLLJDZPCPHWCGD-ILRDRHFLSA-N 365.433 2.628 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC1 91526281 NBEIZNGDUDJSCP-UHFFFAOYSA-N 368.412 2.903 0 50 FFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 91745575 AKLAWRNJKBOIBU-DLBZAZTESA-N 371.485 2.521 0 50 FFAA Cn1nc(-c2ccccc2Cl)nc1NC(=O)c1ncn(C(C)(C)C)n1 291532600 SWTVDCGCHXNXON-UHFFFAOYSA-N 359.821 2.734 0 50 FFAA CCNC(=O)c1cccc(NC(=O)NCc2csc(N3CCCC3)n2)c1 97757995 IRXPGTJNVOMCJP-UHFFFAOYSA-N 373.482 2.815 0 50 FFAA CCOc1ccc([C@H](C)Nc2nc(C)ncc2S(C)(=O)=O)cc1F 95385303 JCJRMSDMVSLAAV-JTQLQIEISA-N 353.419 2.899 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCN2CCCC2=O)C1 91536440 RUEZLCREVLATKM-OAQYLSRUSA-N 372.465 2.599 0 50 FFAA CC[C@H](CO)NC(=O)c1cccc(-c2ccc(Cl)c(C(=O)NC)c2)c1 426404242 LYYGTBIYKGNFPF-OAHLLOKOSA-N 360.841 2.867 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N(C)CCC[C@H]3CCCO3)c(=O)[nH]2)cc1 91876554 HOFCKVGOQAFDTN-INIZCTEOSA-N 355.438 2.777 0 50 FFAA OCCn1nc(-c2ccncc2)nc1-c1ccc(C[C@@H]2CCCNC2)cc1 96132648 IUZNXZJNCIMTOO-KRWDZBQOSA-N 363.465 2.542 0 50 FFAA Cc1nc(-c2ncc(C(=O)N(C)CCC[C@H]3CCCO3)c(O)n2)cs1 91551735 CHGVOOZTSBUIBU-LBPRGKRZSA-N 362.455 2.645 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95519717 NQSUVIHODFHUOY-UHFFFAOYSA-N 371.485 2.921 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCC(Cc3nc(C)no3)CC2)N(C)C)cc1 95369989 QMCFJLLJKJCNEL-LJQANCHMSA-N 356.470 2.770 0 50 FFAA CCCc1ccc([C@H](C)NC(=O)CN2CCC3(CCC(=O)N3C)CC2)cc1 244842377 UPPWNRSNXWIYCZ-KRWDZBQOSA-N 371.525 2.903 0 50 FFAA Cc1ccc(-c2nc(CN3CCC[C@@H](c4cc(O)ncn4)C3)no2)cc1 243915008 BLLPMGJJGQJXHG-OAHLLOKOSA-N 351.410 2.920 0 50 FFAA COc1cncnc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 294206848 MGJLZTRUCPLWCO-HNNXBMFYSA-N 355.442 2.614 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1cccc(Cl)c1Cl 244795516 RHTZWMPSUOXWQY-WZRBSPASSA-N 356.253 2.721 0 50 FFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)CCO2 299739742 ANOYKCGLURIVKB-QGZVFWFLSA-N 350.374 2.529 0 50 FFAA CN(C)CC(C)(C)CNC(=O)c1cccc(-c2csc(C(N)=O)c2)c1 534632980 HZHIJEYZKSENIG-UHFFFAOYSA-N 359.495 2.832 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@@H](NCCc2cccs2)CNC3=O)cc1 263616522 JFHPADWBDZFZPU-GOSISDBHSA-N 368.462 2.695 0 50 FFAA CC(=O)NCc1ccc(-c2ccc(C(=O)NC[C@@]3(C)CCCO3)cc2)nc1 534649181 RCHYCICXXZGJPK-OAQYLSRUSA-N 367.449 2.684 0 50 FFAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CC=CC[C@H]2C1 72149970 MRJSLUAYWOQXJY-GASCZTMLSA-N 360.435 2.937 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@@H](CC)c2cn3cccnc3n2)c1CC 299757806 JPJYMLBFJZRZIK-AWEZNQCLSA-N 355.446 2.860 0 50 FFAA Cc1cc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)cc(C)n1 299780479 JYIFWJAGPCALAN-UHFFFAOYSA-N 353.470 2.722 0 50 FFAA Cc1sc2nc(CCNC(=O)c3ccc4c(c3)OCO4)nc(O)c2c1C 828171183 SIQOAYKWDOKXGE-UHFFFAOYSA-N 371.418 2.715 0 50 FFAA Cc1nc(CNC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cs1 670444395 DQVUNXZYJNUKJO-MWABVPJASA-N 357.483 2.655 0 50 FFAA O=C(COc1cccc(Cl)c1)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565505846 XZRVZLKDHKYDJT-ZBFHGGJFSA-N 372.856 2.636 0 50 FFAA CCCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)NCC)N(C3CCCC3)C2)cc1 97636567 FAXBESPQTHJFDI-ICSRJNTNSA-N 371.525 2.891 0 50 FFAA CC(C)(C)c1ccc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)s1 170089011 IPPWBGBWYAPPCI-UHFFFAOYSA-N 370.584 2.740 0 50 FFAA CC1(C)[C@@H]2C[C@@H]1CC=C2CCOC(=O)C1CCC2(CC1)NC(=O)NC2=O 170645932 CXALWEYCDZISMC-LNWMTBOKSA-N 360.454 2.681 0 50 FFAA O=S(=O)(c1ccco1)N1CCCN(Cc2ccc(Cl)cc2)CC1 188580441 VGGHCOAEZCIDOH-UHFFFAOYSA-N 354.859 2.830 0 50 FFAA C[C@H](NC(=O)c1cccc2c1OCCO2)C1CCN(CC(F)(F)F)CC1 189664545 NUVNNDLKQLXYPR-LBPRGKRZSA-N 372.387 2.850 0 50 FFAA Cc1cc(-n2ccnc2)ccc1CN1CCC(N2CCO[C@H](C)C2)CC1 191957590 QJBGAZWARUJQEJ-GOSISDBHSA-N 354.498 2.866 0 50 FFAA C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc2cc(F)c(F)cc21 193035214 UIUBMFKRXLCUKD-GWCFXTLKSA-N 350.369 2.719 0 50 FFAA O=C(NS(=O)(=O)N1CCc2ccccc21)c1ccc2ccccc2c1 729902007 AXYDXOPKKGGZSS-UHFFFAOYSA-N 352.415 2.877 0 50 FFAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@]2(CCCOC2)C1 790669111 IUNZILPNXMAQQT-JOCHJYFZSA-N 371.525 2.906 0 50 FFAA CCOCCc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)s1 1529181865 XIMWRSRFRZNSOM-CYBMUJFWSA-N 364.471 2.561 0 50 FFAA COc1ccc(-n2cc([C@H](C)NC(=O)c3ccc4c[nH]nc4n3)cn2)cc1 1775979029 SALQZLAHVIFKKL-LBPRGKRZSA-N 362.393 2.643 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC([C@@H](O)CO)CC2)cc1F 1772704663 KJBIGVSBADENGS-NRFANRHFSA-N 371.452 2.930 0 50 FFAA CCc1n[nH]c(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)c1C 11935365 LDHWQYOIUITSCW-FQEVSTJZSA-N 360.502 2.781 0 50 FFAA COc1ccc(OC)c(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 12197599 MQJFIQULZRZYKU-QGZVFWFLSA-N 358.413 2.734 0 50 FFAA O=C(/C=C/c1c[nH]cn1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12298707 ZZNOMFZSBSVWLM-DORXLWPQSA-N 364.493 2.980 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)nn1C 15076723 KHULDTRTOFCTTF-KRWDZBQOSA-N 372.488 2.894 0 50 FFAA CN1CCN(c2cccc(N3CCC(NC[C@@H]4CCCCO4)CC3)c2)C1=O 19608228 YIOXDWMWONPGCD-FQEVSTJZSA-N 372.513 2.686 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 219323773 KNROQGRKFOOYKO-IDHHARJASA-N 360.404 2.791 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 1857532890 UJSQAFBNLUMUSP-NJNPRVFISA-N 363.413 2.765 0 50 FFAA C[C@H](O)c1nc(-c2cc(C(F)(F)F)nn2C)n(-c2ccccc2F)n1 1857678132 BXIDUTVUJNXHLE-QMMMGPOBSA-N 355.295 2.879 0 50 FFAA CC[C@]12COC(=O)N1CCN(c1cc(C)nc(-c3ccccc3O)n1)C2 1857701549 NQCHCSJQSNUMGU-IBGZPJMESA-N 354.410 2.579 0 50 FFAA CCc1ccc(C(=O)N2CCN(C(=O)c3ccnn3C(C)C)CC2)cc1 127116951 CRTATIIUHAKOHB-UHFFFAOYSA-N 354.454 2.625 0 50 FFAA O=C(O)CCN(C(=O)c1ccc(Br)cc1)C1CCOCC1 238074190 IGMUVFIQXUZUTR-UHFFFAOYSA-N 356.216 2.545 0 50 FFAA CN1CCN(c2ccc(CNc3ncnc4c(F)cccc34)cn2)CC1 252499853 SGRDUYOQWXNTDN-UHFFFAOYSA-N 352.417 2.528 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1nc(C2CC2)no1 778012366 GNTVVCPEDUPUSV-QMMMGPOBSA-N 371.363 2.743 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)sc2ccc(F)cc12 368803161 AWJNRRHTRNPVEN-CYBMUJFWSA-N 361.442 2.979 0 50 FFAA CCn1nc2c(c1C(=O)N1CCC(n3ccnc3)CC1)C[C@H](C)O[C@@H]2C 1875313990 BNHVDGOLXOHKSP-UONOGXRCSA-N 357.458 2.599 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2cccc(NC(=O)c3ccccc3)c2)cn1 1875385641 XXQPDJRFOWJBQB-UQBPGWFLSA-N 362.433 2.936 0 50 FFAA Cc1nc(CNC(=O)c2ccccc2N2CCCC2=O)ccc1[C@H](C)O 1325092365 XULIEYVHFDHVRA-AWEZNQCLSA-N 353.422 2.500 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CC[C@H](c4nc(C)no4)C3)no2)cc1 1857798859 DDJVFTJNKOWGOO-ZDUSSCGKSA-N 354.366 2.671 0 50 FFAA O=C(C[C@H]1CSCCN1)Nc1ccc2nnc(-c3ccc(F)cc3)n2c1 2325778639 HTNBOIHIEXBSAF-HNNXBMFYSA-N 371.441 2.569 0 50 FFAA Cc1cccc(C[C@H]2NC(=O)[C@@H](Cc3ccc(C(F)F)cc3)NC2=O)c1 2325792356 WOSCPNBRQIAULO-IAGOWNOFSA-N 358.388 2.701 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 2325888710 SPWMMNVOGDWTCD-FXAWDEMLSA-N 374.456 2.522 0 50 FFAA COc1ccc(N2C(=O)N(c3cccc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1109272 POOWTJLPWKAPNC-MSOLQXFVSA-N 372.446 2.616 0 50 FFAA O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1c(Cl)cccc1Cl 1127248 FNCCNTKNRHTKKU-ZDUSSCGKSA-N 359.184 2.813 0 50 FFAA COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 1143369 WMAGGGRHRIKVTG-UHFFFAOYSA-N 368.462 2.899 0 50 FFAA COc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1OC 2202519 ULOPYFJGBHWANL-UHFFFAOYSA-N 353.407 2.856 0 50 FFAA CCNC(=S)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC 2854683 VEKYHTJSDOXGMZ-UHFFFAOYSA-N 357.501 2.631 0 50 FFAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1F 4701293 YNCBORNGUHDANL-UHFFFAOYSA-N 370.833 2.562 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)no1 6680641 FRMFSZQVFMQQOK-UHFFFAOYSA-N 369.468 2.717 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 6731028 JECAMYWEUHYMDE-SECBINFHSA-N 350.440 2.568 0 50 FFAA Cc1nnc(SCC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)s1 55392969 MSYGTBZCPJWILS-AWEZNQCLSA-N 362.524 2.890 0 50 FFAA COCCN1CCC(CN(C)[C@H](C(=O)O)c2ccc(F)c(C)c2)CC1 55306967 PWBBKZJUXQITTM-SFHVURJKSA-N 352.450 2.550 0 50 FFAA COc1ccccc1CN(C(=O)c1cccnc1N1CCOCC1)C1CC1 55387186 SXOPWUXZKRYZGG-UHFFFAOYSA-N 367.449 2.732 0 50 FFAA COC(=O)Cc1cc(=O)n2c3ccccc3nc2n1CCc1ccccc1 9421447 YPVOLFUKYGRYCH-UHFFFAOYSA-N 361.401 2.607 0 50 FFAA Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(=O)[nH]1 55168753 LDEKHCKXHDMPMT-UHFFFAOYSA-N 353.422 2.952 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1O 20998214 OBUQHLUICFCIQJ-SFHVURJKSA-N 374.456 2.609 0 50 FFAA CC[C@@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2C(N)=O)C1 101706361 YVRHSUGNLSZWEK-TZHPCZLDSA-N 372.490 2.897 0 50 FFAA Cc1nc(NCCNC(=O)Nc2cccc(F)c2)cc(-n2ccnc2C)n1 67629436 NPPSDDKXSZDQOX-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)c1cc(-c3csc(C)n3)c[nH]1)CC2 119306589 YTSFBOXFFWUWBW-UHFFFAOYSA-N 353.451 2.998 0 50 FFAA CN(C[C@@H]1CCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 67713742 OAXDEWDQBWBSTN-NSHDSACASA-N 352.337 2.783 0 50 FFAA COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 991006 VGFNFIPQFWPHGJ-UHFFFAOYSA-N 374.462 2.735 0 50 FFAA O=C(Cc1ccncc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 181921143 ZSKXNMKMRSEMDY-UHFFFAOYSA-N 357.841 2.652 0 50 FFAA COc1ccc(-n2nnc(C(=O)N3CCOCc4ccccc43)c2C)cc1 253393779 VUKLADFNNQDVCD-UHFFFAOYSA-N 364.405 2.761 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)cccc2c1C 219267034 AOYGFSVEOKGSHX-QIIPPGSGSA-N 352.438 2.760 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@@H]1CCCN1Cc1ccccc1 122556546 JJGMWPKEFQPSGL-SFHVURJKSA-N 365.481 2.771 0 50 FFAA Cc1nc2nc3ccn(Cc4cccnc4)c(=O)c3c(-c3ccccc3)n2n1 38828674 LFGLALQIRAJZLY-UHFFFAOYSA-N 368.400 2.858 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)CC1=CSC2=NCCCN12 219443280 WIFNNLRYAZZOQB-UHFFFAOYSA-N 361.471 2.726 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCCNC(=O)C1 72432072 ZICKRDLZRVTMMT-UHFFFAOYSA-N 353.344 2.991 0 50 FFAA COCc1nc(N2CCC[C@@H](Oc3ccc(F)cc3)C2)c2cnn(C)c2n1 72161762 VVXDMVIOGRHVJV-OAHLLOKOSA-N 371.416 2.697 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)n1 77535065 JHGLPKLADSFELY-FQEVSTJZSA-N 357.454 2.707 0 50 FFAA O=C(O)COc1ccccc1CN1CCC2(CC1)c1ccccc1C[C@H]2O 72165507 TWZKRICWUWTNKL-HXUWFJFHSA-N 367.445 2.601 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)Cc2noc3ccccc23)C1 157011043 OCROYZUDBKQNEW-CQSZACIVSA-N 351.406 2.774 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3cnccn3)n2)cc1C(=O)O 77506047 PKGVUZATYPPUIP-UHFFFAOYSA-N 365.393 2.667 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71749810 XXIWGRIBKGZFKT-OAHLLOKOSA-N 353.401 2.748 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1ccccn1 72406955 JGBXKHCSSWDUDY-LJQANCHMSA-N 362.433 2.935 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccnc(C(C)C)n3)CC2)cc1 72130899 UVYAMXLXSTUASD-UHFFFAOYSA-N 354.454 2.567 0 50 FFAA O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1[C@H]2CC[C@H]1COC2 333581571 KETCULMZTTWVQR-RVBZMBCESA-N 371.206 2.595 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)n1[C@@H](C)c1ccccc1 262560620 YHYBMNGDIOMSJZ-KBXCAEBGSA-N 356.422 2.640 0 50 FFAA Cc1noc(COc2ccc(NC(=O)CC3C[C@@H]4CC[C@H](C3)N4)cc2)n1 237742357 OPIJGHQPQNHPDV-VHRNVKJDSA-N 356.426 2.816 0 50 FFAA Cc1c(C(=O)NC[C@H](N)C2CC2)nnn1-c1ccc(-c2ccccc2)cc1 237807178 MWLABXLVNTXVAG-IBGZPJMESA-N 361.449 2.710 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)c(=O)[nH]1 72447183 ODJPXMOIOYBYRK-OAHLLOKOSA-N 368.433 2.901 0 50 FFAA CCc1cc(N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)ncn1 72418103 JJLAITAZOWQRKM-MRXNPFEDSA-N 369.517 2.537 0 50 FFAA Cc1ccc2cc(C(=O)N3CCN(C)[C@H](c4nc(C5CC5)no4)C3)[nH]c2c1 284691480 PWXRCDXYPAOQNC-KRWDZBQOSA-N 365.437 2.866 0 50 FFAA CCN1CCN([C@@H]2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)CC1 175223831 ZYPRILCOAWJROT-CYBMUJFWSA-N 372.296 2.551 0 50 FFAA CCOc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)o1 222550565 RFBQYJWHJBGZIK-JFIBYHEFSA-N 357.406 2.855 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3onc4c3CCCC4)CCC2=O)c1 426406341 URYYTYOYOFOHAN-UHFFFAOYSA-N 367.449 2.737 0 50 FFAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccccc1S(=O)(=O)Cc1ccccc1 220456878 NBWCZDCKRNKGSM-NJAFHUGGSA-N 371.458 2.568 0 50 FFAA CN(CCCc1nccn1C)C(=O)NC1CCN(Cc2ccccc2)CC1 426415708 ZDKHXSVBURXBGA-UHFFFAOYSA-N 369.513 2.659 0 50 FFAA CCC(C)(C)NC(=O)c1cccc(-c2ccc(S(N)(=O)=O)s2)c1 426517750 AUYPKLTWAUYVBM-UHFFFAOYSA-N 352.481 2.981 0 50 FFAA CC(=O)NCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1 264969848 GKCOXQBVIRETNJ-SFHVURJKSA-N 366.465 2.971 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc(F)ccc1OCCCN 426420479 VSTMZDHUVCYMMQ-UHFFFAOYSA-N 362.449 2.846 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)Cc1csc(C(C)=O)c1)CC2 97638014 SODDGQSNLJHBBC-MRXNPFEDSA-N 351.468 2.680 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NCc3cccs3)[C@@H](C)C2=O)c1 426415234 CHKJVLIMWYNGSE-HNNXBMFYSA-N 357.479 2.999 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)CN1CC[C@H](c2ccccc2)C1 230587891 VSPFEZFLKNVUHN-SFHVURJKSA-N 353.466 2.813 0 50 FFAA CC(=O)N1CCC(NC(=O)N2CCC[C@@H](COc3ccccc3C)C2)CC1 426621539 CGPSMWBQBRSHJX-GOSISDBHSA-N 373.497 2.806 0 50 FFAA Cc1n[nH]c(Cc2ccc(NC(=O)N(C)CCCc3cnn(C)c3)cc2)n1 95510794 IGGSHGBVIQAQHT-UHFFFAOYSA-N 367.457 2.534 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc3occc3c1)CC2 92046752 GTCZRIOKDIKVDK-UHFFFAOYSA-N 356.422 2.722 0 50 FFAA CC1(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 22107212 VBHDSMINHHDYGJ-XAJHFOFHSA-N 350.411 2.600 0 50 FFAA CCC1=NO[C@@H](C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)C1 95512562 UCHLLAZAAYQBSC-GOSISDBHSA-N 369.465 2.583 0 50 FFAA c1cn2nc(N3CCN(Cc4ccc([C@H]5CCCCO5)o4)CC3)ccc2n1 97601123 SAXODNWFEFVIHR-QGZVFWFLSA-N 367.453 2.886 0 50 FFAA CCCc1cc(N2CCC(NCc3cnn4cccnc34)CC2)nc(C)n1 96152483 DLKYHMITISXGSV-UHFFFAOYSA-N 365.485 2.539 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc(C(F)(F)F)nn1C 97815435 DBODSQKZRKYUSX-UHFFFAOYSA-N 355.345 2.716 0 50 FFAA CCN(CCn1cccn1)C(=O)Nc1cc(-c2nnc(C)o2)ccc1OC 96153097 NQGKAKVICISUEW-UHFFFAOYSA-N 370.413 2.804 0 50 FFAA Cc1ccc2nc(C(=O)N[C@@H](CCn3cncn3)c3ccccc3)cn2c1 91651386 AMGPXSJNKISSHF-KRWDZBQOSA-N 360.421 2.796 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)COCCOC)CC2)C1 91691634 ABKJSQGSEOMZII-FQEVSTJZSA-N 374.525 2.768 0 50 FFAA CC[C@@H](O)Cn1nc(-c2c[nH]c3ccccc23)nc1-c1ccc(CO)o1 96162493 GNAPKHNILJUJEF-GFCCVEGCSA-N 352.394 2.950 0 50 FFAA O=C(NCc1csc2c1CCCC2)c1ccc2c(c1)ncn2CCO 97635038 KOKZCAGLQDXLKA-UHFFFAOYSA-N 355.463 2.899 0 50 FFAA O=C1[C@H]2CC[C@H](CN(CCOc3ccccc3)C2)N1Cc1cscn1 91574626 SSOHTUHYDSLWDU-DOTOQJQBSA-N 357.479 2.645 0 50 FFAA CCCn1ncc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1C 91664013 PJEQQSSDLAZVIN-FQEVSTJZSA-N 353.422 2.852 0 50 FFAA Cc1nc2cc(C(=O)N3CCN(CC4CC4)[C@H](CCO)C3)ccc2s1 244724617 MXKFUJPCKDYZOL-MRXNPFEDSA-N 359.495 2.524 0 50 FFAA COc1cc(OC)nc(N[C@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)n1 252536687 JDYBWLZPXHDBCH-QEKSWQHZSA-N 351.353 2.696 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N(C)C(=O)c1csc(CN)n1 299739393 NWGWQDJKPJXTCZ-QWHZDKJVSA-N 372.538 2.830 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@@H](CN)C1 299740017 USIKLWYVHKCZFE-UWVGGRQHSA-N 361.667 2.677 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)C1 299743478 NRVAPUVVNVGZRQ-CYBMUJFWSA-N 351.362 2.679 0 50 FFAA CN1C[C@H]2CN(C(=O)c3ccc(-c4cccc5c(=N)cc[nH]c45)cc3)C[C@H]2C1 534577610 HQINTZFILXABHJ-HDICACEKSA-N 372.472 2.948 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)N[C@@H](C)C1CCN(C)CC1)CC3 534640136 FPWBDTSMOTYFRB-AWEZNQCLSA-N 370.497 2.975 0 50 FFAA COc1ccc(CN(CCC2=CCCCC2)C(=O)N[C@@H]2CCNC2=O)cc1 534635638 MZKQRLQMXFZKAY-LJQANCHMSA-N 371.481 2.986 0 50 FFAA O=C(NCCOc1cccc2cccnc12)N1CCC[C@H]1Cn1cccn1 534576015 VHLZXSOXIJCRGT-KRWDZBQOSA-N 365.437 2.684 0 50 FFAA Cc1cc2cccc(NC(=O)N3CCCO[C@@H](CN4CCOCC4)C3)c2o1 299791769 GOKBJHKWJDLDCV-KRWDZBQOSA-N 373.453 2.696 0 50 FFAA CN1C(=O)C[C@H](C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)C1(C)C 299761465 RRGQBFWHRXLORV-CYBMUJFWSA-N 357.454 2.998 0 50 FFAA CCc1nc(CN(C)C(=O)c2ccc(-c3ncc(F)c(OC)n3)cc2)no1 584884789 RHGPRWKEPUFFQV-UHFFFAOYSA-N 371.372 2.509 0 50 FFAA Cc1cc(-c2nn(C)c(Cl)c2CNCCCc2csc(N)n2)no1 952986766 AYSDLLCUQJRTDY-UHFFFAOYSA-N 366.878 2.798 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565525857 DVZVXSYXGDVWEQ-HKUYNNGSSA-N 363.502 2.806 0 50 FFAA Cc1cc(C(=O)NC[C@H]2CCN(Cc3sccc3C)C[C@@H]2O)c(C)o1 1565514826 HAPKEETYXWKMMT-WBVHZDCISA-N 362.495 2.879 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)CN2CCCN(C)CC2)CC1 952861169 YDJWNEMBFLGVSX-UHFFFAOYSA-N 361.555 2.716 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cnn3cc(C)cnc23)cc1Cl 952990967 KOCCLLCAJBHJPH-UHFFFAOYSA-N 373.800 2.528 0 50 FFAA CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc1 274407275 UQRAPFAOZXRVPN-CYBMUJFWSA-N 374.462 2.844 0 50 FFAA C[C@H](NC(=O)c1ccc(-c2cncnc2)cc1F)c1nnc2n1CCCC2 186431046 JUWNNBGDEZQGIC-LBPRGKRZSA-N 366.400 2.702 0 50 FFAA Cc1noc(C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)n1 301057017 AGKSAGMITFIMHG-UHFFFAOYSA-N 361.409 2.867 0 50 FFAA COc1ccc([C@H](CNC(=O)[C@H]2CCCN2C2CC2)N2CCCC2)cc1 170615863 SHONEQSPXYKUKV-UXHICEINSA-N 357.498 2.575 0 50 FFAA CC(=O)N1CCC(NC(=O)c2ccccc2SC[C@H]2CCCO2)CC1 170601637 BTXQHEWNYUEHIT-MRXNPFEDSA-N 362.495 2.698 0 50 FFAA CCO[C@@H]1C[C@@](NC(=O)Cn2c(C)cc3ccccc32)(C(=O)O)C1(C)C 193042605 MNSBEHBROWVQJN-OXQOHEQNSA-N 358.438 2.724 0 50 FFAA CC(C)C[C@@H](C(=O)OCC(=O)N(C)C1CCCCC1)N1CCCCC1=O 756576826 IVKUMOHARLUOOW-KRWDZBQOSA-N 366.502 2.748 0 50 FFAA CN(CCOc1cccc(Cl)c1)c1nccc(N2CCC(O)CC2)n1 1529192564 XTBTZHDGWUBRSX-UHFFFAOYSA-N 362.861 2.606 0 50 FFAA CC[C@H]1CN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)O)CCN1C 1704325453 LWDPTSUDFGKVSJ-LBPRGKRZSA-N 363.389 2.718 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]12 1704342655 BAMXYCICCGXPEH-NVXWUHKLSA-N 357.281 2.912 0 50 FFAA O=C(c1cncc(NC[C@@H]2CCCN(Cc3ccco3)C2)n1)N1CCCC1 1704338153 MHQNDMIBFAAQTH-INIZCTEOSA-N 369.469 2.630 0 50 FFAA CNCCN1C(=O)CC[C@@H]2CN(Cc3[nH]c4ccccc4c3C)CC[C@@H]21 215502414 ZYRWDILAQNEWGU-UZLBHIALSA-N 354.498 2.509 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CCCO2)ccc1NS(=O)(=O)c1ccccc1 13681699 VQJDOVWMRVEYMU-INIZCTEOSA-N 374.462 2.705 0 50 FFAA CCc1csc(CNC(=O)c2ccc(OC[C@@]3(C)CCCNC3)nc2)n1 14972075 IQCRWFGTHWVCJM-IBGZPJMESA-N 374.510 2.799 0 50 FFAA CCc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1S(N)(=O)=O 16651864 AUDNOUNLJFDXOY-UHFFFAOYSA-N 360.483 2.590 0 50 FFAA CNCc1cn(C2CCN(c3cc(C)c4ccc(F)cc4n3)CC2)nn1 19228232 GBSVVAMNLVZTRU-UHFFFAOYSA-N 354.433 2.835 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 19952547 KUGHNGKVXJMXPD-NRFANRHFSA-N 372.557 2.850 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 155514959 OYIAKMIOMTTWGB-QGZVFWFLSA-N 353.426 2.879 0 50 FFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(Cn2ccnc2)o1 220084510 HYJLBCLPPPBEKO-JTDSTZFVSA-N 351.406 2.766 0 50 FFAA O=C(Cc1cccnc1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857719657 QSWAKXRKIKPFDU-UNMCSNQZSA-N 365.477 2.689 0 50 FFAA CCn1nncc1CNCc1cnn(-c2ccc(Br)cc2)c1 418039160 SZFPYTJOYOIAKA-UHFFFAOYSA-N 361.247 2.536 0 50 FFAA Cn1ncc2c(N3CCN(C(=O)Cc4ccccc4Cl)CC3)ccnc21 329325601 SYEJJWVLOUZQMO-UHFFFAOYSA-N 369.856 2.513 0 50 FFAA O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1ccc(C(=O)O)cc1 238107726 LDIBIELURSBSTF-UHFFFAOYSA-N 370.380 2.510 0 50 FFAA CCCC1(O)CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 952845823 ABNNGUIGMAZWRS-QGZVFWFLSA-N 367.534 2.608 0 50 FFAA C=CC(=O)NCCc1ccc(CNC(=O)[C@@]2(C)C[C@H](C)O[C@H](C)C2)cc1 1875386701 WXIGMZGEVCJPKE-VPTLXERWSA-N 358.482 2.741 0 50 FFAA C=CC(=O)N1CC(F)(F)C[C@H]1CNC(=O)[C@@H](C)Oc1ccc(C)cc1C 1875389643 WPECYMHSVOYBGI-CABCVRRESA-N 366.408 2.609 0 50 FFAA O=C(N[C@@H]1CCC[C@@H](OC(F)F)C1)c1cccc(N2CCOC2=O)c1 888092700 GIHODJVOIDBKTE-TZMCWYRMSA-N 354.353 2.923 0 50 FFAA Cn1cncc1CN1CCC(c2ncc(C(=O)N3CCCC3(C)C)o2)CC1 888103271 SYDZOOAFCJENJR-UHFFFAOYSA-N 371.485 2.802 0 50 FFAA Clc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12 1102715 MZPZFIYBDWWFCS-UHFFFAOYSA-N 350.209 2.935 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)O)c1 4594365 UCYQSSICCXOZML-UHFFFAOYSA-N 361.350 2.672 0 50 FFAA biogenic C=CC(=O)N1CCC[C@H](C(=O)NCc2csc(Br)c2)C1 2325888549 CKSNBXVSSDMEKC-NSHDSACASA-N 357.273 2.551 0 50 FFAA CN1CCC[C@H](CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)C1 115434325 ULNZYAOMDHGYLT-INIZCTEOSA-N 363.465 2.810 0 50 FFAA CC(C)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 623340 JYYAMZSKNPIYGB-UHFFFAOYSA-N 372.494 2.620 0 50 FFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 883454 FYNVUQVHTNHBDG-UHFFFAOYSA-N 359.426 2.789 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1Cl 1131008 AMLVLLVXWHFJJB-NSHDSACASA-N 368.842 2.702 0 50 FFAA O=C(COc1ccccc1Cl)NC(=S)Nc1cccc(C(=O)O)c1 4674793 GFFMDHDMMYMVHV-UHFFFAOYSA-N 364.810 2.930 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccc(F)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4828346 JBDPXSSBWLUGDK-IAGOWNOFSA-N 360.410 2.746 0 50 FFAA C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 10541748 UZLZBIQGZRSUNJ-ZDUSSCGKSA-N 370.902 2.997 0 50 FFAA COC(=O)c1ccc(Cl)cc1NC(=O)NCCc1c(C)nn(C)c1C 8609018 GXPMHGDXIDOVSI-UHFFFAOYSA-N 364.833 2.841 0 50 FFAA Cc1cccc(-c2ncc(CNCCc3nc(-c4cccnc4)n[nH]3)cn2)c1 55271471 SKVABEPNTNLCGG-UHFFFAOYSA-N 371.448 2.964 0 50 FFAA COc1cccc2c1OC[C@@H](N1CCN(c3nc4ccccc4o3)CC1)C2 59311800 GLYAXXKIEBRLQM-INIZCTEOSA-N 365.433 2.962 0 50 FFAA Cn1c(SCC(=O)c2ccc[nH]2)nnc1[C@@H]1COc2ccccc2O1 22211169 NUTZSWNXAAYOPM-HNNXBMFYSA-N 356.407 2.631 0 50 FFAA C[C@@H]1CCCN([C@H](C)CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 249367269 VGRSGDCDQCWWFA-HUUCEWRRSA-N 356.474 2.724 0 50 FFAA S=c1nc(-c2ccc(Br)cc2)on1CN1CCOCC1 25504046 JSXNDNZOPTZLQR-UHFFFAOYSA-N 356.245 2.925 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(Cc2csc(C)n2)CC1 120722667 URCUYUNYURVMTQ-UHFFFAOYSA-N 353.923 2.719 0 50 FFAA CCC(C)(C)NC(=O)CN1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 67855931 QUCQYBSIWQNGCB-UHFFFAOYSA-N 371.437 2.733 0 50 FFAA CN(C)c1ccc(-c2ccc(C(=O)NCCCc3ccccn3)cn2)cn1 67770359 RSMBCONLGWFMHI-UHFFFAOYSA-N 361.449 2.967 0 50 FFAA CN(CCOc1cccc(CNC(=O)[C@H]2CC2(C)C)c1)C1CCOCC1 121632654 RKFZWMCEIWASLP-LJQANCHMSA-N 360.498 2.839 0 50 FFAA Cc1ccc(-c2[nH]ncc2C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1 6788577 WLWYWOCFAFAIOA-INIZCTEOSA-N 370.306 2.806 0 50 FFAA COCCn1cncc1CN1CCC[C@@H](C(=O)c2ccc(OC)cc2C)C1 71759170 ICXVZHKMRROFQT-QGZVFWFLSA-N 371.481 2.941 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCn3cnnc3)C2)cc1 77342192 GXPXHAKFOGYPEH-QGZVFWFLSA-N 364.453 2.773 0 50 FFAA Cc1c(CN(C)Cc2n[nH]c3c2CCCC3)c(=O)n(-c2ccccc2)n1C 214997395 FSOJGOCRZDHBOF-UHFFFAOYSA-N 365.481 2.718 0 50 FFAA Cc1nc2c(c(N[C@@H]3CCOC[C@H]3OCc3c(C)noc3C)n1)CCC2 219746381 SVAIRBRJNOKAKE-QZTJIDSGSA-N 358.442 2.665 0 50 FFAA CN(Cc1cccc2ccccc12)C(=O)[C@H]1CC2(CCNCC2)CN1C 72410314 HHQYNXOEFFZVHW-HXUWFJFHSA-N 351.494 2.872 0 50 FFAA COc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2C)c2c(c1)C[C@@H](C)O2 328630711 JPMQLLJEDOXTCR-FMEYXAORSA-N 357.454 2.762 0 50 FFAA CCc1ocnc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71763583 YTZZWFWBQHSDMU-MRXNPFEDSA-N 355.438 2.890 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NC2(c3ncon3)CCOCC2)o1 364080066 CWPAPSYGDVIGJI-ZOBORPQBSA-N 357.410 2.712 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218800570 BHGBKMZEILRZTI-IAYYMHMVSA-N 364.449 2.909 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CCC(O)CC4)nc3)n2)cc1 39455553 WISUHOMSGPYFNP-UHFFFAOYSA-N 352.394 2.768 0 50 FFAA CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C1CCN(c2ncnc3[nH]cnc23)CC1 370417027 WDDIWEOIMNPZCF-LSDHHAIUSA-N 370.501 2.997 0 50 FFAA Cc1cc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)ccc1-n1cccn1 333257535 IGLLKQWSMVDREP-UYAOXDASSA-N 368.481 2.539 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 333260973 BACGCWNRICMWDC-WFASDCNBSA-N 351.497 2.802 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 236976814 YCKHWAZAWYDYAM-MEDUHNTESA-N 359.426 2.674 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N[C@H]1CCc2c[nH]nc2C1 378528778 KXLNDZVAHZXDDR-KRWDZBQOSA-N 353.470 2.757 0 50 FFAA C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C12CC3CC(CC(C3)C1)C2 241965738 UVFUVYXIYCUUJZ-UCOGDWOESA-N 370.493 2.659 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)ccc1O 82170717 ZAIFDAVWCHWXFP-UHFFFAOYSA-N 368.481 2.975 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)N2CCC[C@H]2Cn2cccn2)cn1 426438912 QXLOTURZAZBEGG-SFHVURJKSA-N 364.453 2.751 0 50 FFAA CN(CC(=O)N1CCC(OCc2ccccn2)CC1)Cc1ccc(F)cc1 222875935 KEGXQQWJRJTIMK-UHFFFAOYSA-N 371.456 2.860 0 50 FFAA CCc1oc2c(NC(=O)NCCNS(C)(=O)=O)cc(Cl)cc2c1C 426420531 GICIGDLKMBBVHS-UHFFFAOYSA-N 373.862 2.628 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82097359 XMDUVKVFOOVLHO-QGZVFWFLSA-N 362.433 2.640 0 50 FFAA CC(C)(C)c1cc(CN2CCc3c(cccc3NS(C)(=O)=O)C2)no1 289729464 HLJUCTSMUQXNTI-UHFFFAOYSA-N 363.483 2.902 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3nc4ccc(C)cn4c3F)C2)CCC1=O 82087660 WQWAOQLDBHPCEB-HXUWFJFHSA-N 372.444 2.647 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C1 178266138 VKWYOBJJOGBOIO-JZLODUJNSA-N 352.390 2.607 0 50 FFAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 426465074 CVQFENQSCWLHIZ-CQSZACIVSA-N 359.817 2.860 0 50 FFAA CC1(C)C(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)C1(C)C 91410271 YMJZMATWWOOBQA-LSDHHAIUSA-N 355.482 2.827 0 50 FFAA O=C(Nc1ccc2occc(=O)c2c1)N1CCCC[C@H]1CN1CCOCC1 96149184 YMAXYWQYUIBGJH-INIZCTEOSA-N 371.437 2.512 0 50 FFAA Cc1cc(C)nc(CCNC(=O)CN2CCC[C@@H](c3ccccc3)C2)n1 95392773 UTSZOEYGUVMRIY-LJQANCHMSA-N 352.482 2.632 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccc3c(c2)OCCCO3)c2cc(F)ccc2N1 91808260 RVCXAYAZOOQVIT-OAHLLOKOSA-N 370.380 2.729 0 50 FFAA Cc1cc(N2CCC(NC[C@H]3CCCCO3)CC2)nc(N2CCCC2)n1 95375306 DHXRYQMZBNISTF-GOSISDBHSA-N 359.518 2.513 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2ccc(N3CCCC3=O)cc2)CC1 96166591 SMAGCGVSBKYPIY-UHFFFAOYSA-N 352.438 2.529 0 50 FFAA COc1nc2c(cc1C(=O)N(C)[C@@H](CC(=O)O)c1ccccc1)CCC2 95522792 YVVCPYIEXWOFQV-KRWDZBQOSA-N 354.406 2.867 0 50 FFAA COc1ccccc1CN1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1 92065060 ATPPFBHKLTWSMP-LJQANCHMSA-N 371.525 2.604 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cccc(-n3cccn3)c1)C2 95512277 KJEQEYDYPCVWEI-OAHLLOKOSA-N 363.417 2.862 0 50 FFAA COc1cccc(-c2ccc(C(=O)NC(C)(C)CN3CCOCC3)o2)c1 97179372 IDZCGWDSSQUYAN-UHFFFAOYSA-N 358.438 2.796 0 50 FFAA COc1cc(CN2CCN(C3CCCC3)C(=O)C2)cc(Cl)c1OC 97654088 CIWOTRQNAPVSNX-UHFFFAOYSA-N 352.862 2.944 0 50 FFAA Cn1nc2c(c1C(=O)N1CCN(C/C=C/c3ccccc3)CC1)CCCC2 97505658 NVPDYACQANIOKK-JXMROGBWSA-N 364.493 2.770 0 50 FFAA CCc1cc(CN2CCC3(CC2)CCN(Cc2ccoc2)C[C@@H]3CO)n[nH]1 97653971 TWDZIAZBEVQULC-GOSISDBHSA-N 372.513 2.662 0 50 FFAA COc1cccc(Cn2nc(-c3cccnc3)nc2[C@H](C)n2cncn2)c1 95529474 NSHAUZPOJNKSNI-AWEZNQCLSA-N 361.409 2.598 0 50 FFAA CC(=O)N1CCN(c2cc(-c3ccccc3)nc3ccccc23)C[C@H](O)C1 91619885 DDPMHQKMBKZERI-GOSISDBHSA-N 361.445 2.931 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C(=O)O 91417027 IPNSUVYIBXWFBM-RBUKOAKNSA-N 369.465 2.605 0 50 FFAA Cc1cc(C)n2nc(CC(=O)N3CCC[C@@](C)(c4ccccc4)C3)nc2n1 91950861 WTYMZGFGJNBWGH-OAQYLSRUSA-N 363.465 2.864 0 50 FFAA CN(CC(=O)O)c1ncc(CN2CCCC[C@H]2c2cccc(F)c2)cn1 244685614 ITMCWAHJKAMMRN-KRWDZBQOSA-N 358.417 2.864 0 50 FFAA CSCc1noc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)n1 244795679 RLPPWXMJJFELMX-KRWDZBQOSA-N 358.511 2.608 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 181482468 QJTLFDXOASCVOR-MRXNPFEDSA-N 372.421 2.736 0 50 FFAA Nc1nc(N2CCC(Cc3ccc(F)cc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244894041 YYUGPRBZRMJVPI-WOVMCDHWSA-N 356.445 2.895 0 50 FFAA CCc1nc(C)sc1CNC(=O)C1CCN(C(=O)c2ccccn2)CC1 244899673 ZNRNLYOZKXVCBQ-UHFFFAOYSA-N 372.494 2.578 0 50 FFAA O=C1[C@H]2[C@H]3CC[C@H]([C@H]2C(=O)N1Cc1ccccc1)[C@@H]3NCc1ccccc1 247748585 RAKHRCAHNDHPHV-XKRYSZRTSA-N 360.457 2.986 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1)c1ncoc1C1CC1 252536032 HMHCDVVNCFRTSS-ZOBUZTSGSA-N 354.406 2.729 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2cccc(F)c2F)C[C@H]1C(F)(F)F 299743814 MKCFYZFYAOELFK-NXEZZACHSA-N 351.271 2.619 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCC[C@@H]1CCCOC1 534642748 DQXSLDSSLSYZHG-INIZCTEOSA-N 363.483 2.584 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(-c2cnn(CCO)c2)c1 534591475 WSAOJEBZQSGSRJ-IBGZPJMESA-N 357.454 2.574 0 50 FFAA Cc1cnn(CCCNC(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)c1 534651218 XRWSMXYXDSCYFK-UHFFFAOYSA-N 364.453 2.535 0 50 FFAA NC(=O)c1cccc(-c2ccccc2OC[C@@H](O)CN2CCCCC2)c1 299787234 ZVBBDYNFKYDTLQ-SFHVURJKSA-N 354.450 2.678 0 50 FFAA COc1ccc2nc(CNC(=O)c3cc(-c4ccc(O)cc4)n[nH]3)[nH]c2c1 95378195 XZQVQBUTBVAZPZ-UHFFFAOYSA-N 363.377 2.597 0 50 FFAA Cc1nn(CC(=O)N2CCC(OCc3cccnc3)CC2)c(C)c1Cl 299762197 SAXXVRITTMLBLZ-UHFFFAOYSA-N 362.861 2.756 0 50 FFAA CCCOc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cc1 299761516 TYMICCBQHSOZCZ-SFHVURJKSA-N 367.449 2.791 0 50 FFAA O=C1C[C@@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C2(CCCC2)O1 299775299 DBOUHLXYEGHOQF-INIZCTEOSA-N 357.385 2.504 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CN(C)Cc2ccncc2)cc1 823715035 JQBVDJBKMKGZNB-HNNXBMFYSA-N 352.438 2.667 0 50 FFAA COCCc1nc(-c2cccc3c(C)c(C)[nH]c23)n(C[C@@H]2COCCO2)n1 584890238 WKPPZXQSMBZQAQ-OAHLLOKOSA-N 370.453 2.648 0 50 FFAA Cn1c(=O)cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c2ccccc21 670440793 KKFIPMAMDMPQLQ-IBGZPJMESA-N 372.428 2.906 0 50 FFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc3cccc(Cl)c23)C1 952980819 IRVFEIIMQWXHMO-CYBMUJFWSA-N 366.870 2.640 0 50 FFAA Cc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@@H]2C)cnc1Cl 170647992 AHLDKDKWVIVOLK-JTQLQIEISA-N 351.815 2.579 0 50 FFAA O=C(CCn1cccn1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280012409 MUWPTDVWYIREOH-WFASDCNBSA-N 353.344 2.627 0 50 FFAA COc1ccccc1N1CC[C@H](NCc2ccc3c(c2)sc(=O)n3C)C1 192619262 IJGYAIPUDUMKRR-HNNXBMFYSA-N 369.490 2.977 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2Cl)C1 1506431468 LJHQORLXNFUKPV-LLVKDONJSA-N 367.298 2.686 0 50 FFAA O=C(CN1CCC([C@@H](O)c2cccs2)CC1)NCc1ccccc1F 1529185692 OUVQTMWFKCNQBE-LJQANCHMSA-N 362.470 2.949 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)c3csc(-c4cccs4)n3)C2)C1=O 12090315 RFKOBAPASYICJN-KRWDZBQOSA-N 361.492 2.956 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCC1CCCCC1 12297631 ULJWFOJTOONHQH-FQEVSTJZSA-N 366.452 2.988 0 50 FFAA Cc1n[nH]cc1C(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12444939 FTEWRBVHBSZMKM-AWEZNQCLSA-N 353.344 2.821 0 50 FFAA CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)C)c1=O 12456142 PDICNIHJQWWZNI-AWEZNQCLSA-N 361.486 2.878 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1cc(CN(C)Cc2ccccc2)on1 12588953 NITSCMTUTOGYAR-UHFFFAOYSA-N 353.426 2.577 0 50 FFAA COc1ccccc1CCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12715012 HFODZJJDKMHABB-KRWDZBQOSA-N 358.482 2.925 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)CSC)C1 15074019 GKJXIIAQFDXZMU-GOSISDBHSA-N 353.459 2.903 0 50 FFAA CN1CCCN(Cc2ccccc2-c2nc3c(c(=O)[nH]2)CCCCC3)CC1 19731633 NEVKIFIYIJJGHU-UHFFFAOYSA-N 366.509 2.843 0 50 FFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3c[nH]nc3C)CCCCC2)o1 1857526897 LCNVICHJEOVMKX-UHFFFAOYSA-N 359.426 2.594 0 50 FFAA CN=S1(=O)CCC2(CC1)CN(C(=O)c1ccc(F)cc1Cl)CCO2 1857530382 BYAQDYCZRGFSDU-UHFFFAOYSA-N 374.865 2.582 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857683121 VTSKKYXDRATSAM-LBPRGKRZSA-N 351.857 2.881 0 50 FFAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(C(=O)c3ccco3)C[C@]23CC[C@H]1O3 1857717088 MEQUVJCXPAIPJQ-BIZBXSGISA-N 372.465 2.596 0 50 FFAA Clc1ccc(-n2cc(CN3CCC[C@H](N4CCOCC4)C3)cn2)cc1 22891412 AAMKTOHYSFVPDP-IBGZPJMESA-N 360.889 2.822 0 50 FFAA Cn1cc(C[C@H]2CCN(C(=O)NCc3ccc(F)c(Cl)c3)C2)cn1 363427433 VSPSDBWYZVRGJN-CYBMUJFWSA-N 350.825 2.987 0 50 FFAA CC[C@H](NC(=O)c1cc(O)nc(C2CC2)n1)[C@@H](O)c1c(F)cccc1F 847593308 ALZFYXQQHRXZRB-BLLLJJGKSA-N 363.364 2.580 0 50 FFAA C[C@@](O)(CNC(=O)CC[C@@H]1Cc2ccccc2CN1)c1ccc(F)cc1F 1875294730 VHKVCJILLITFRU-DYESRHJHSA-N 374.431 2.783 0 50 FFAA C[C@@H](CC(=O)NCCc1cc(C(=O)O)n[nH]1)c1ccccc1C(F)(F)F 1875307481 NIZQGNWTDXBSAP-JTQLQIEISA-N 369.343 2.979 0 50 FFAA CO[C@@H](C(=O)N[C@@](C)(CC(=O)O)c1cccnc1)c1ccccc1Cl 1875315713 FEAZMDCVDKMNOI-AEFFLSMTSA-N 362.813 2.929 0 50 FFAA O=C(c1cc(C2CC2)ccn1)N1CC[C@@]2(CCN(c3nncs3)C2)C1 1875406131 XVMIZCINUHAQKR-GOSISDBHSA-N 355.467 2.553 0 50 FFAA CCC[C@H](CC)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100482941 HYYDOVAZMMNBGY-INIZCTEOSA-N 374.529 2.877 0 50 FFAA O=C(C[C@H]1OCCc2ccsc21)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 2325751209 UFSBBFOWPFWAMX-NVXWUHKLSA-N 373.430 2.629 0 50 FFAA CCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CCN(c2ccncc2)C1 2325783923 LAJQJEKEEHDKQJ-QGZVFWFLSA-N 363.465 2.731 0 50 FFAA Cc1ccn2ncc(C(=O)NC[C@](C)(C(=O)O)c3ccc(F)cc3)c2c1 2325852098 SQPCFVVCVLPWFF-IBGZPJMESA-N 355.369 2.554 0 50 FFAA O=C(Nn1cnnc1)c1cc(-c2ccccn2)nc2ccc(Cl)cc12 1068355 YNASXHODKGKPDG-UHFFFAOYSA-N 350.769 2.926 0 50 FFAA C[C@@H](C(=O)NCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1110777 PBBZLCOKMGQNST-ZDUSSCGKSA-N 366.870 2.811 0 50 FFAA Cc1nc(C(Cl)(Cl)Cl)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 1180945 XYRJPEZSPZNXRL-UHFFFAOYSA-N 371.611 2.604 0 50 FFAA O=C(NCc1ccco1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1194190 UXVOFBZILIEFNM-NSHDSACASA-N 363.211 2.711 0 50 FFAA CN1CCN(NC(=O)c2cccc(COc3ccccc3Cl)c2)CC1 2750690 GZBPNRCNZBUVNG-UHFFFAOYSA-N 359.857 2.811 0 50 FFAA COc1cccc2c1NC(=O)C[C@H]2C(=O)N1CCC(OC(F)(F)F)CC1 2356144925 RZYZIMKJKSQNMZ-GFCCVEGCSA-N 372.343 2.648 0 50 FFAA COc1ccccc1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2966406 PSYOBVHSWZSIQP-UHFFFAOYSA-N 352.312 2.969 0 50 FFAA N=c1nc(N2CCC3(CC2)OCCc2sccc23)c2c([nH]1)CCCC2 2356160056 BADVVMJUJPXTNS-UHFFFAOYSA-N 356.495 2.898 0 50 FFAA Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3nncs3)c2)cc1 4755487 ALWOMWAPQBRBEP-UHFFFAOYSA-N 374.447 2.900 0 50 FFAA O=C1c2cccc3cccc(c23)C(=O)N1CCC(=O)n1nnc2ccccc21 4854930 XJSWCIPNPRQCAR-UHFFFAOYSA-N 370.368 2.911 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)[C@](C)(OC)c2ccccc2)C[C@H]1c1ccccc1 225598860 LOGKVDZOJCUHSZ-NNMXDRDESA-N 367.445 2.963 0 50 FFAA Cc1nnc(SCC(=O)N2CCc3nc[nH]c3C23CCCCC3)s1 55133407 SJNXMRFJYFZEAP-UHFFFAOYSA-N 363.512 2.906 0 50 FFAA COc1cccc(CNCc2cn(CCC(N)=O)c3ccccc23)c1OC 55073691 JYVWNJOPBVNQQP-UHFFFAOYSA-N 367.449 2.824 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)c2n1 115219270 NLIOTROPAQOPFA-UHFFFAOYSA-N 354.385 2.860 0 50 FFAA CN(c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1)S(C)(=O)=O 65363425 IWLCHMOJFYHZIA-SFHVURJKSA-N 358.463 2.890 0 50 FFAA COc1cnc(NCc2nc3c(s2)CCCC3)nc1-c1ccnn1C 23231412 NLGQJRJXASZYEE-UHFFFAOYSA-N 356.455 2.833 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)s1 23153283 JUNNWCRJCUVISW-LBPRGKRZSA-N 374.491 2.723 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)nc(C)n1 67622919 UOHIQJNRNDRWQK-UHFFFAOYSA-N 369.469 2.578 0 50 FFAA Cc1ccc([C@H](NC(=O)CN2CCCN(C)CC2)c2cccnc2)c(C)c1 65451511 LTPHMJNNBYCLIP-JOCHJYFZSA-N 366.509 2.542 0 50 FFAA O=C(C1CCCCC1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 67612558 OVVBGYUFGRVVMY-UHFFFAOYSA-N 366.469 2.844 0 50 FFAA CCn1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)nc1C 331379609 AKVSVTBTDFHGKJ-UHFFFAOYSA-N 369.516 2.987 0 50 FFAA COc1ccc(C(=O)NCC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1OC 230133908 GAWMRTVQJNHOTN-IJEWVQPXSA-N 360.454 2.613 0 50 FFAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccccc1-c1ccccc1F 67724928 UUIGZZQSBAKOKW-KUHUBIRLSA-N 369.440 2.559 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 4987142 JEVYUEAEFJSPQI-ZBFHGGJFSA-N 374.828 2.943 0 50 FFAA COc1ccc(CCCNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1OC 253393188 WDEZECKOAOWVNZ-SJORKVTESA-N 361.486 2.562 0 50 FFAA C[C@@H](CN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1nnn[nH]1 124335906 NFKPJDOEZIWQLT-ZDUSSCGKSA-N 361.409 2.691 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)n3)C2)n1 124438229 CGXIWHLHVPHQJC-OAHLLOKOSA-N 353.426 2.976 0 50 FFAA CC(C)[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)OC(C)(C)C 152889869 GVWBHLRUAAQQKR-BBRMVZONSA-N 364.417 2.734 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N1CCCN(C(=O)C3CCC3)CC1)n2C 215029479 SMRGGWVYFBIKEY-UHFFFAOYSA-N 369.465 2.662 0 50 FFAA CCCN(CC(N)=O)c1nc(-c2cccnc2)nc2sc3c(c12)CCC3 488763161 QEAAICPEFBHASB-UHFFFAOYSA-N 367.478 2.944 0 50 FFAA O=c1n(Cc2ccc(F)cc2)nc(C2CCNCC2)n1Cc1ccccc1 72153095 YRYAUYLOYNZXBO-UHFFFAOYSA-N 366.440 2.748 0 50 FFAA CCCc1cc(CN(C)c2nc(-c3cccnc3)nc3c2cnn3C)n[nH]1 72408387 LETZWUQJTKWCJT-UHFFFAOYSA-N 362.441 2.737 0 50 FFAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)CCOc3ccccc3)C2)c1 72167812 JPLAZBQRVHXVFB-QGZVFWFLSA-N 352.434 2.646 0 50 FFAA COCCN1CCC(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)CC1 72463156 CCAPYWJEBYYLOZ-SFHVURJKSA-N 374.460 2.724 0 50 FFAA CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C 32919248 ZKZFBJOVBPDYPK-AWEZNQCLSA-N 359.513 2.575 0 50 FFAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 237428144 FXBVZGASKKUORA-UWVGGRQHSA-N 354.369 2.592 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(c2cc(C)nc(C)n2)C1 375968843 NUGSGZSAZHVJOQ-KRWDZBQOSA-N 372.444 2.569 0 50 FFAA CC[C@H](NC(=O)CCNC(=O)[C@@H]1C[C@H]1C)c1nc(-c2ccccc2)c[nH]1 240555873 GXYPUVCKKNRZLU-BMFZPTHFSA-N 354.454 2.806 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 455032640 CAIRRCYWSIELTM-HNNXBMFYSA-N 363.439 2.773 0 50 FFAA COC(=O)c1cc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)cs1 72145492 MBRJTGGNTBRHTB-UHFFFAOYSA-N 374.462 2.501 0 50 FFAA C[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 242038590 VMJDGBBNKQICRN-IAGOWNOFSA-N 362.493 2.826 0 50 FFAA CC(C)(C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1)S(=O)(=O)C1CC1 284605376 IBLLFXOXLXVPFP-OAHLLOKOSA-N 371.886 2.596 0 50 FFAA Cc1csc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)n1 284682951 XKGKJTZNSMDDLL-GOEBONIOSA-N 356.451 2.927 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3ccc(O)cc3F)[C@@H](C)C2=O)cc1 222316826 LLPPVRJTJGNRKL-AWEZNQCLSA-N 356.397 2.713 0 50 FFAA COc1cccc(N2CCN(C(=O)C(C)(C)c3ccccc3)CC2=O)c1 82098304 WCNQYRICARZSEY-UHFFFAOYSA-N 352.434 2.848 0 50 FFAA Cc1nc(C(=O)N2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)cs1 221184592 KHOLNMGUBLGROK-SFHVURJKSA-N 368.462 2.580 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1Cc1ccc(OCCO)cc1 82162130 LMBYYSWXUGGGNY-HNNXBMFYSA-N 374.868 2.948 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)Nc2cccc(CN3CCCC3)c2)CC1 45912944 YUTNWYLGESRAAL-UHFFFAOYSA-N 358.486 2.615 0 50 FFAA CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)cc1 426415231 BBZZRIMHOMVTJI-HNNXBMFYSA-N 370.409 2.582 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3)C2)CN1CCCO 82100071 CLQASFBEBDNEAH-IBGZPJMESA-N 364.873 2.567 0 50 FFAA Cc1cc(F)ccc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 82125851 CAFKPUYSOQWTBF-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA CN(Cc1cscn1)C(=O)NC1CCN(CCc2ccccc2)CC1 194268890 CVYMVINZQBHWHM-UHFFFAOYSA-N 358.511 2.992 0 50 FFAA COc1ccc(CNC(=O)N2CCCN(Cc3ccccn3)CC2)cc1 426526279 PHBDCZBGYDAWPL-UHFFFAOYSA-N 354.454 2.508 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H]4CCOC4)csc3C2)nc1 426389280 QQTWYVNXNBWRAT-MRXNPFEDSA-N 371.506 2.783 0 50 FFAA Cn1c(=O)oc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc21 96179898 QWIHKDVBWYDRPP-UHFFFAOYSA-N 373.438 2.510 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 91713951 VHYXYZYZVSNXDV-UHFFFAOYSA-N 361.467 2.813 0 50 FFAA CN(C)[C@@H](C(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1F 95357431 JOBNWBKBWCXIEV-GOSISDBHSA-N 361.486 2.834 0 50 FFAA COc1cccc(OC)c1C(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91860572 BZVORGKBYMUBBK-KRWDZBQOSA-N 355.434 2.901 0 50 FFAA CN(C(=O)CN1CC[C@]2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1 92062223 REJDLXOBGAWDEM-JOCHJYFZSA-N 369.509 2.764 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccc(C)cc3O)C[C@H]2C(=O)O)c1 91620043 JFKYSHCHQJXVJO-DLBZAZTESA-N 355.390 2.650 0 50 FFAA CC(C)[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)C[C@H]1NC(=O)N(C)C 92081136 XCHWZEDTBVQGEI-JKSUJKDBSA-N 366.893 2.777 0 50 FFAA COc1cccc2c1OC[C@@H](Cc1ccc(N3CCSCC3)nn1)C2 95359071 VJIYDNHQUNCWFA-CQSZACIVSA-N 357.479 2.832 0 50 FFAA O=C(CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1)NCc1cccs1 95389233 MCHBCVDJJUFIQS-MRXNPFEDSA-N 358.463 2.942 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(c2ccc(CN(C)C)cn2)CC1 95371535 RCJJHXJZYMKLKS-UHFFFAOYSA-N 370.545 2.675 0 50 FFAA O=C(CSc1cnn[nH]1)Nc1cccc2nc(-c3ccccc3)cn12 253470784 DIEYUUVGAORAGZ-UHFFFAOYSA-N 350.407 2.850 0 50 FFAA O=C(N[C@H]1CCOC1)c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1 534637851 RCQRNFLBSBXISX-SFHVURJKSA-N 367.449 2.827 0 50 FFAA COc1nc2c(cc1CNC(=O)C[C@@H]1C=CCC1)C(=O)N(C1CCCC1)C2 71388686 HOZJHKAYNAMZEQ-CQSZACIVSA-N 369.465 2.961 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)NCCc3noc(C4CC4)n3)c12 299785370 YXPMCUHUOKZGSV-UHFFFAOYSA-N 353.382 2.642 0 50 FFAA Cc1cc(=O)n(CC(=O)NC[C@@H](C(C)C)N2CCCC2)c2ccccc12 299765825 YDHDAFUYGCSEMA-IBGZPJMESA-N 355.482 2.547 0 50 FFAA O=C1OCCN1c1ccccc1NC(=O)N1CCC[C@@H]1Cn1cccn1 299767653 JEUCUGQZVMMNDG-CQSZACIVSA-N 355.398 2.536 0 50 FFAA COc1ccccc1Oc1ccc(NC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 299781966 SBYSWNZNKWFVMU-HOTGVXAUSA-N 358.394 2.711 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)NC[C@@]3(O)CCCNC3)CCCC2)c1 828022173 FHBFSBLEAZWGGR-OAQYLSRUSA-N 359.514 2.529 0 50 FFAA CCc1ccccc1N1CCN(C(=O)N[C@@H](CC)c2nc(C)no2)CC1 584893267 DKVGJINYESHSAQ-INIZCTEOSA-N 357.458 2.923 0 50 FFAA CCOCCNC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)cc1 670444878 PLMRSLUFMAWEPB-UHFFFAOYSA-N 353.466 2.530 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)[C@H]2Cc3ccccc3O2)C2CCOCC2)n1 275280484 KNAYNQCCVJGMDD-SJORKVTESA-N 371.437 2.781 0 50 FFAA Oc1nccnc1N1CCC[C@@H](NCc2ccccc2C(F)(F)F)C1 275591662 PSWHLNAMMMYIGB-CYBMUJFWSA-N 352.360 2.960 0 50 FFAA CNC(=O)c1ccc(NCc2ccc(OC)cc2OC2CCCC2)nn1 301475444 AQKDTEVQSMKWHV-UHFFFAOYSA-N 356.426 2.778 0 50 FFAA COc1cc(CCC(=O)N[C@H](c2ncc[nH]2)C(C)C)cc(OC)c1OC 170607801 ORZPNSSIKPUXOH-KRWDZBQOSA-N 361.442 2.882 0 50 FFAA COc1ccc(C[C@@H](C)CN(C)c2cc(N3CCOCC3)ncn2)cc1 192348632 IQSFVZZZZMCPPO-MRXNPFEDSA-N 356.470 2.637 0 50 FFAA CS/C=C/C(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 751532859 ISPWFCVIKRBQTA-BQYQJAHWSA-N 369.493 2.997 0 50 FFAA Cc1ccn(CC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c(=O)c1 195006472 CMWFJPOLTMKIAP-HXUWFJFHSA-N 351.381 2.597 0 50 FFAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(=O)cc(C)o1 1506400835 AGSTVHDIAACTJA-UHFFFAOYSA-N 353.378 2.969 0 50 FFAA O=c1ccc(-c2ccccc2)nn1CCN[C@@H]1CCN(c2ccccc2)C1 1506420569 JKYSYEOEPCNCBC-LJQANCHMSA-N 360.461 2.779 0 50 FFAA Cc1ccc(F)c(NC(=O)CN2CCCN(Cc3cccnc3)CC2)c1 1529173570 MDQPQTMMOXMULM-UHFFFAOYSA-N 356.445 2.676 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCCN(Cc2ccoc2)CC1 1529177511 ARALBPDPHOWBLM-UHFFFAOYSA-N 350.365 2.671 0 50 FFAA COc1cc(Cl)cc(C(=O)N2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)c1 1704357283 OLEYIIAOKHGZJG-DYVFJYSZSA-N 364.829 2.975 0 50 FFAA COc1ccccc1Cc1nc(Cn2nc(C)cc2C)n([C@@H]2CCOC2)n1 1772815957 AMXBXVXMUZFASN-QGZVFWFLSA-N 367.453 2.701 0 50 FFAA Cc1c(C(=O)N2CCN(Cc3nccn3C)CC2)oc2c(F)cccc12 11936263 YBOJVEIMWYJIHI-UHFFFAOYSA-N 356.401 2.572 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccc(F)c(Cl)c3)C2)CC1 12051759 KSRWQOLHHGAFRO-CQSZACIVSA-N 353.869 2.768 0 50 FFAA O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOC1=O 12702122 NSHJKEJZCKAEEC-UHFFFAOYSA-N 364.445 2.876 0 50 FFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c1 13331051 LLGXHWOGKZBNRJ-CQSZACIVSA-N 360.845 2.555 0 50 FFAA c1ccc(CCN2CC[C@@]3(C2)Cn2c(nnc2-c2ccncc2)CO3)cc1 1857682890 PXNWOBMMYKUJGQ-OAQYLSRUSA-N 361.449 2.558 0 50 FFAA CN(C)CCN(C)C(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695568 OWFNJYABNWUXAA-ZDUSSCGKSA-N 364.877 2.718 0 50 FFAA CC(C)c1nnc(N2C[C@H](C(=O)N(C)CCc3ccccc3)CC2=O)s1 1857698183 GXPKGPMELQGDBZ-OAHLLOKOSA-N 372.494 2.716 0 50 FFAA Cc1cc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c2cc(F)cc(F)c2n1 1857723570 LLFJTZMPSMZZJN-KZULUSFZSA-N 356.376 2.651 0 50 FFAA CCCOc1ccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1 1857740193 CRNKFDMXRRXWTJ-QEUVDIPISA-N 358.482 2.657 0 50 FFAA C[C@@H](CC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 119456585 HALJYALYHSRSSJ-QFBILLFUSA-N 372.490 2.791 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 247774309 WOSMUAYBFHXIFE-MPESAESLSA-N 354.809 2.882 0 50 FFAA COCc1ccccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 373712123 CSFLMVWPKAIAKH-PXNSSMCTSA-N 352.434 2.782 0 50 FFAA COCCN1CC[C@@H](Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 265317085 HABLHGDBYYRZMR-CYBMUJFWSA-N 367.375 2.690 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1cc(C(=O)O)sc1C)C[C@@H]2O 832439284 PDEYVITUGPWZTR-ZDUSSCGKSA-N 363.435 2.821 0 50 FFAA NC(=O)CN(c1nc(-c2cccnc2)nc2sc3c(c12)CCC3)C1CC1 1875264697 FGSKISPVHMOSQJ-UHFFFAOYSA-N 365.462 2.696 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@H]2CCC[C@H]21 1875266038 SEXBYAILTNNGON-ATZDWAIDSA-N 361.461 2.783 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 1875366305 UMFRRTVZQPETMZ-UHFFFAOYSA-N 360.429 2.620 0 50 FFAA O=C(c1cnsc1)N1CC[C@H]2CCC[C@@H](C1)N2c1nnc(C2CC2)o1 1875405047 MOFYWDHNTNXWCA-KGLIPLIRSA-N 359.455 2.677 0 50 FFAA Cn1c2ccccc2c2nnc(SCC(=O)Nc3nccs3)nc21 708391 DDORPEIDQQJJSZ-UHFFFAOYSA-N 356.436 2.704 0 50 FFAA COc1cccc(-c2cnc(NC(=O)c3ccccc3-n3cncn3)[nH]2)c1 2100544951 CHZMJUQYQVLFMZ-UHFFFAOYSA-N 360.377 2.918 0 50 FFAA C[C@@]1(c2ccccc2)COCCN1C(=O)[C@@H]1CC(=O)c2cc(F)ccc2O1 2325757360 FHEMJRAIJPPBHC-FPOVZHCZSA-N 369.392 2.934 0 50 FFAA O=C(NCc1noc2cc(F)ccc12)Nc1ccc(N2CCNCC2)cc1 2325773073 PVVNATKCZCDYQW-UHFFFAOYSA-N 369.400 2.698 0 50 FFAA CC[C@H](CC(=O)N(C)CCN(C)C(=O)c1cncc2nc[nH]c12)C(C)C 2325794741 PFBCEIWCXVATBG-CQSZACIVSA-N 359.474 2.561 0 50 FFAA C[C@H](Nc1ncnc(N)c1Br)[C@H]1CCCN(C2CCC2)C1 2325840060 NMMHCHKWERCUCP-QWRGUYRKSA-N 354.296 2.886 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)C1 2325888353 LCZSGDDAIDBXDO-CVEARBPZSA-N 361.511 2.657 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 2325888587 IMASMGOYAALJIN-GXFFZTMASA-N 369.248 2.968 0 50 FFAA O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 868912100 UOPWYIFXOPMERO-TYQYWCRPSA-N 364.392 2.517 0 50 FFAA O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 114931235 XZIGXIGGUFNJLM-MRXNPFEDSA-N 350.426 2.685 0 50 FFAA CCOC(=O)CCc1c(C(=O)OCC)[nH]c(C)c1C(=O)OC(C)(C)C 638957 WPIBHMKNVDQOOT-UHFFFAOYSA-N 353.415 2.951 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)c2ccco2)CC1 692010 MBHKHYHSFOMUMH-UHFFFAOYSA-N 350.777 2.599 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(Cl)cc2)cc1 821498 CMHBMYPAGCDDIT-UHFFFAOYSA-N 366.870 2.932 0 50 FFAA Cc1cccc(N2C(=S)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 1020429 XIHSAOMCFUQERN-IRXDYDNUSA-N 358.488 2.772 0 50 FFAA O=C(Nc1ccccn1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 1030941 MOYPKHYEJCQCSP-NSHDSACASA-N 360.211 2.836 0 50 FFAA O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 2647105 CBQTWWXTCUHMKC-UHFFFAOYSA-N 362.426 2.540 0 50 FFAA Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccc2c(c1)OCCO2 4544872 JFGOVTFQHBTEQC-IBGZPJMESA-N 373.792 2.832 0 50 FFAA CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(O)nn2)n1 8584682 UECILUWABXUMHJ-UHFFFAOYSA-N 353.386 2.749 0 50 FFAA CC(=O)c1sc2[nH]c(SCC(=O)N3CCCCC3)nc(=O)c2c1C 8619707 PLBWVSJDZDWQGO-UHFFFAOYSA-N 365.480 2.600 0 50 FFAA aggregator CC(C)(C)OC(=O)N(CC(=O)O[C@@H]1C(=O)OCC1(C)C)c1ccccc1 225690235 DZXYLJCAQIQCAS-OAHLLOKOSA-N 363.410 2.923 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1 23312015 DESSKLFCPGZHTK-UHFFFAOYSA-N 374.495 2.831 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cccc(-n3cccn3)c2)s1 55100116 FNWLANKJIJTHPG-UHFFFAOYSA-N 359.480 2.944 0 50 FFAA C[C@@]1(C(=O)NCc2cccc(COC3CCOCC3)c2)C[C@H]2CC[C@H]1O2 250738889 PKCZCDTZLPINSL-SFHLNBCPSA-N 359.466 2.956 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1c(C)c2cccc(C)c2n1C)C(=O)O 67690752 FVLQAIKEMUYCDQ-OAHLLOKOSA-N 354.410 2.691 0 50 FFAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccccc1C 67604474 UPMVCLKFATZJPF-NVXWUHKLSA-N 352.500 2.624 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)c2cc3c(nc2OC)CCC3)CC1 67774368 GFWQTTYUYBTMRN-UHFFFAOYSA-N 354.454 2.884 0 50 FFAA CCC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67490419 CTOCKOYMYXHLPV-UHFFFAOYSA-N 352.369 2.873 0 50 FFAA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)Nc2nccs2)CC1 124801676 GTNNULQAIDJPMP-AWEZNQCLSA-N 374.466 2.595 0 50 FFAA CCCn1cc(-c2nc3c([nH]2)C[C@@H](c2cccc(OC)c2)CNC3=O)cn1 65419129 NOGGPUXHKCRYTF-CQSZACIVSA-N 365.437 2.762 0 50 FFAA CCOC(=O)CN1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328606067 QGMQUOPKDOFGBS-OXQOHEQNSA-N 355.438 2.577 0 50 FFAA CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)CCc1scnc1C 253431792 XNCVTECKDLIWNC-UHFFFAOYSA-N 368.480 2.575 0 50 FFAA NC(=O)c1csc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1 72144138 BPILCGMFMRPNBB-UHFFFAOYSA-N 350.407 2.792 0 50 FFAA CC(C)COC[C@@H](O)CNc1ccc(S(C)(=O)=O)cc1C(F)(F)F 253419199 FIKVEKXCBZALFI-NSHDSACASA-N 369.405 2.554 0 50 FFAA CC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)n(C)c1 363349789 SAXSGNIIKVDJAZ-MRXNPFEDSA-N 353.466 2.964 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)c1 77438544 BWPSHQAKHBZZMQ-ZDUSSCGKSA-N 352.394 2.605 0 50 FFAA O=C1CN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@H]2CCCC[C@H]2N1 332181808 VVNWNUQLOIIDOA-KGLIPLIRSA-N 357.788 2.571 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccccc2N2CCCC2)CC1)N1CCOCC1 72422716 NVFLRMQFFXKYMZ-SFHVURJKSA-N 371.525 2.860 0 50 FFAA Cc1cc(C)c(CN2CCS(=O)(=O)CC2)cc1CN1CCC(C)CC1 216541495 KBZFMIOLQDWAAG-UHFFFAOYSA-N 364.555 2.766 0 50 FFAA Cc1ccc(-c2nc(CN3CC(n4cc([C@H](C)O)nn4)C3)cs2)cc1 374823127 VLAAUSZLQUEDLA-ZDUSSCGKSA-N 355.467 2.820 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc([C@H]2CCOC2)c1 262929357 FVMCAAZOOGDUKH-PKOBYXMFSA-N 367.401 2.681 0 50 FFAA Cc1ccc2oc(CN3CC[C@@H]4[C@@H](CCC(=O)N4CCN)C3)c(C)c2c1 72423132 WPEDEUMXVGDCTF-FUHWJXTLSA-N 355.482 2.821 0 50 FFAA c1ccc2c(N3CCN(c4ccc(Cn5ccnc5)cn4)CC3)ncnc2c1 77537843 AMFJHMXRBDEANQ-UHFFFAOYSA-N 371.448 2.596 0 50 FFAA Cc1nc(CC2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)no1 219408120 JEQSZNGUAVLLSA-UHFFFAOYSA-N 371.466 2.935 0 50 FFAA O=C(c1ccon1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72145870 CGWBYBFSKMSUPR-KBAYOESNSA-N 359.376 2.655 0 50 FFAA CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NC2CC2)C1 44803876 QJKHPYUGKWVCFY-AWEZNQCLSA-N 354.454 2.914 0 50 FFAA COc1ncccc1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286263138 NGGKXVPUDNGMJX-ZIAGYGMSSA-N 358.398 2.692 0 50 FFAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 46813829 RXNQBLULPVZETK-AWEZNQCLSA-N 374.400 2.856 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)nn1C 82106908 GMHHZICQZGDMGK-INIZCTEOSA-N 361.873 2.838 0 50 FFAA CO[C@H](C)CCNC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 426474089 COKAEURUWUQTTQ-CQSZACIVSA-N 361.463 2.912 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1n[nH]c2c1CCC2 426507872 MDUHHFBTITYKPU-LBPRGKRZSA-N 356.426 2.572 0 50 FFAA CCN1CCC(CCNC(=O)N2CCN(c3ccccc3)C(=O)[C@@H]2C)CC1 426712157 OLRAECICLODEBG-KRWDZBQOSA-N 372.513 2.555 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 225671960 PXVDFAFAGIMWIF-MQYQWHSLSA-N 360.366 2.542 0 50 FFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cn1ccc2ccccc2c1=O 95511395 JBJGEWWLVGTAGH-UHFFFAOYSA-N 374.400 2.710 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1cccc(F)c1F)CC2 91604371 GMQOGAVQRZGYHH-UHFFFAOYSA-N 374.435 2.626 0 50 FFAA COCCCN1CC2(CCN(Cc3ccc4nsnc4c3)CC2)CC1=O 95377731 DLFTVGUVONDTFQ-UHFFFAOYSA-N 374.510 2.542 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 95386062 FJCOTBZYQKUPJV-IBGZPJMESA-N 350.466 2.619 0 50 FFAA COc1ccc(CCNC(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)cc1OC 426563069 PPODYDLNMHNXBA-CQSZACIVSA-N 360.458 2.989 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N[C@H](c2nccn2C)C(C)C)c1C 96163824 OGFSLXBBYJHGNY-KRWDZBQOSA-N 373.457 2.832 0 50 FFAA O=C1CCC2(CCN(CC[C@H]3CCOC3)CC2)CN1Cc1ccccn1 91459543 CVDUXLZBYPMGQH-SFHVURJKSA-N 357.498 2.713 0 50 FFAA CCc1nc(C)c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)o1 97642534 OWKQUBAESAAMEJ-UHFFFAOYSA-N 356.426 2.972 0 50 FFAA CCN(C[C@@H](O)COc1ccccc1)C(=O)c1cccc(-c2cn[nH]c2)c1 97528070 QCVTVWQZULUIJS-LJQANCHMSA-N 365.433 2.979 0 50 FFAA CCCCc1nc(CN2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)c(Cl)[nH]1 95390652 ZAMIWLGDXLZBEJ-ZIAGYGMSSA-N 367.925 2.984 0 50 FFAA COc1ccc(NC(=O)N2Cc3cnc(CC(C)C)nc3C2)c(OC)n1 95498836 LSPHVBHOMFPOGY-UHFFFAOYSA-N 357.414 2.635 0 50 FFAA O=C(C[C@@H]1CCc2ccccc21)NCCS(=O)(=O)c1ccc(F)cc1 91651034 QOCDCLUFXOYOCU-HNNXBMFYSA-N 361.438 2.836 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)[nH]n1 23541566 XBHBFTZENWVCQF-CQSZACIVSA-N 369.450 2.553 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCCc3nc(-c4ccco4)no3)C2)n1 91518735 OHELXIPUESQJTA-HNNXBMFYSA-N 369.425 2.939 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)cc1F)C2 95379770 DNPZUXGMHGNFSQ-DZGCQCFKSA-N 371.387 2.737 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cnc2ccnn12 97805694 ZWEATNKJZOCJPH-HNNXBMFYSA-N 352.442 2.835 0 50 FFAA Cc1nc(C2CC2)ccc1C(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 295427901 NXTXKOJYDRXDTD-MRXNPFEDSA-N 356.426 2.988 0 50 FFAA O=C([C@H]1CCCN1C(=O)c1ccccc1O)N1CCc2c(F)cccc21 184298496 ICUFSCHCIUGUPM-QGZVFWFLSA-N 354.381 2.725 0 50 FFAA Cn1cc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cn1 252462395 RZFLFXQBQKPGEK-SHTZXODSSA-N 365.437 2.575 0 50 FFAA COCc1n[nH]c(C)c1-c1cccc(C(=O)NCCc2cccnc2)c1 534655158 VLUBSEFKJTVKGF-UHFFFAOYSA-N 350.422 2.899 0 50 FFAA Cc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c1 263618886 VYTZROQBAAATOA-GOSISDBHSA-N 366.396 2.927 0 50 FFAA COCC1(NC(=O)c2ccc(-c3cn(C)nc3C(=O)OC)cc2)CCCC1 534634888 JBJXBOYDTPGLBN-UHFFFAOYSA-N 371.437 2.563 0 50 FFAA CSCc1noc(CNC(=O)N2CCCC[C@@H]2c2nccs2)n1 534661215 UJWJYVAQEXSVEJ-SNVBAGLBSA-N 353.473 2.826 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC[C@@]2(CN(C)C(=O)O2)C1 299762546 XCWDGNLXDOGLIK-MRXNPFEDSA-N 353.806 2.797 0 50 FFAA CCCn1nc(C)c(NC(=O)NCCc2noc([C@H]3CCCO3)n2)c1C 299773178 CWPNTEBFMJLNQS-CYBMUJFWSA-N 362.434 2.509 0 50 FFAA COc1ccc(CCN(Cc2ccccc2C)C(=O)[C@H]2CNC(=O)C2)cc1 824664763 QUWSLZWCZQYWQG-LJQANCHMSA-N 366.461 2.711 0 50 FFAA COCCc1noc(CNC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)n1 584900247 OWNSQYHFGOOUMC-MRXNPFEDSA-N 374.441 2.704 0 50 FFAA O[C@H]1CN(c2ncnc3cc(F)ccc23)CC[C@@H]1c1ccc2c(c1)OCO2 1565512205 FRZRWOWBOYPEOW-PBHICJAKSA-N 367.380 2.852 0 50 FFAA COc1ccc([C@H]2CN(C(=O)CCc3scnc3C)C[C@@H]2N(C)C)cc1 1565528085 NIIQPUFAIONNJS-MSOLQXFVSA-N 373.522 2.949 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)nc(O)n1 952978846 LTPFQZSKFYJQQT-INIZCTEOSA-N 358.442 2.541 0 50 FFAA COc1ccc2c(c1)C=C(CN[C@@H]1CCCN(C(=O)c3ccco3)C1)CO2 952977697 OTKVGVGYHHVVPB-QGZVFWFLSA-N 368.433 2.958 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 164616827 MMJXTPMVTXEFPK-UHFFFAOYSA-N 360.863 2.698 0 50 FFAA CN(C)CCOc1cccc(-c2noc([C@H]3CCc4[nH]ncc4C3)n2)c1 273989799 XAZKXEHVDPKRHQ-AWEZNQCLSA-N 353.426 2.673 0 50 FFAA Nc1nccnc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 187313934 MRIIBMHGJWAEQZ-GFCCVEGCSA-N 362.817 2.912 0 50 FFAA Cc1cc(C[C@H]2CN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]2O)on1 1615965676 LFDAKWGYSAEXGA-BBRMVZONSA-N 368.355 2.606 0 50 FFAA COc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 222065915 GRJQTXHWZNTTHA-WBVHZDCISA-N 357.479 2.775 0 50 FFAA O=C(NCc1cnc2ccccn12)c1cn(Cc2ccccc2Cl)nn1 11936011 MIXPVNKNXNYWSP-UHFFFAOYSA-N 366.812 2.558 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2ccccc2SC)C1 12437742 FFQRVLPYRBOYMT-ZDUSSCGKSA-N 364.467 2.576 0 50 FFAA COc1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1C 12571981 ANPJPKOBQYLOIG-KRWDZBQOSA-N 356.397 2.674 0 50 FFAA O=C(CN1CCC2(CC1)OCCO2)Nc1nc(-c2ccccc2)cs1 13323664 MOCCYLSEDRFKKE-UHFFFAOYSA-N 359.451 2.588 0 50 FFAA Cc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)on1 14957221 IKDTWXQZNVXEKD-MRXNPFEDSA-N 373.428 2.562 0 50 FFAA COc1ccccc1CC(=O)N1CCC2(CC1)NC(c1ccccc1)=NO2 169755018 HSXFFINYKGZINU-UHFFFAOYSA-N 365.433 2.538 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3c(c2)CCO3)[C@H]1c1ccccc1 1857739226 FKBOPJVGGKXNDH-SFTDATJTSA-N 366.461 2.765 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2cnc(C3CC3)s2)CC(=O)N1C 328627765 NBYBNANNKMMAJM-KBXCAEBGSA-N 373.526 2.680 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 128529965 UUEAHJYXOPXGJN-ZDUSSCGKSA-N 362.426 2.739 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCc4cnc(C)n4-c4ccccc4)[C@H]1[C@H]3C2 1875258087 OXADSCHPQBALSK-SBCNTATESA-N 366.465 2.746 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2cc3c(s2)CCSC3)C1 1875371138 QHRPDQVGNJMUMY-LBPRGKRZSA-N 350.509 2.578 0 50 FFAA CC(C)c1ccccc1OC[C@@H](O)CNC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1875307861 NUXQLXZKXYKZED-SDNTUTLCSA-N 353.409 2.957 0 50 FFAA O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCC[C@H](n2ccnn2)C1 886074552 CBUCTNZQHGSYJD-HNNXBMFYSA-N 365.397 2.729 0 50 FFAA COCC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C1 2325794826 SMFIAXZQRAYJFP-ZDUSSCGKSA-N 373.840 2.865 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CNCc3ccccc32)c1Cc1ccccc1 2325795246 SJUBYNIXYVNJDE-SFHVURJKSA-N 360.461 2.628 0 50 FFAA N=c1ccc(CC2CCN(C(=O)[C@@H]3CCNc4ccccc4C3)CC2)c[nH]1 2325804850 XJJCWPVIYOYSHL-LJQANCHMSA-N 364.493 2.950 0 50 FFAA Cc1cc(NC(=O)C[C@H](C)c2ccccc2)n(-c2ncnc3[nH]cnc23)n1 2325871413 KODFICNLYABRTQ-LBPRGKRZSA-N 361.409 2.979 0 50 FFAA O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899713 ZZYUCYHPXPIDNZ-UHFFFAOYSA-N 370.430 2.580 0 50 FFAA Cc1ccc(NC2=N[C@H](C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1 987710 UZOANRZPVQIWRV-KRWDZBQOSA-N 350.422 2.907 0 50 FFAA CCCC[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 2545086 OGHUUPAEGJCGAK-HNNXBMFYSA-N 364.467 2.828 0 50 FFAA CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccco3)sc2c1 2861653 KBZLMQADMZZEIF-UHFFFAOYSA-N 360.420 2.975 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2OC)cc1 2875463 SXYRHPCYHBZYBZ-UHFFFAOYSA-N 362.451 2.565 0 50 FFAA CCC[C@@]1(CO)CN(Cc2cc(Cl)c(OC)c(OC)c2)CC[C@@H]1O 2356151131 TWOLEYXPLWDRGQ-WMZOPIPTSA-N 357.878 2.703 0 50 FFAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(-c2cncc3nc[nH]c23)cc1 2356163386 AUKRBDYFQHKENT-OAHLLOKOSA-N 358.405 2.635 0 50 FFAA CNC[C@@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 3872317 OCUJLLGVOUDECM-CYBMUJFWSA-N 351.443 2.842 0 50 FFAA world COc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2OC)CC1 7495417 YOOKYAIQLKSRCS-INIZCTEOSA-N 370.449 2.820 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cc1 246268477 MCJKXQOOEISFTG-KZNAEPCWSA-N 356.447 2.940 0 50 FFAA Cc1nc(CC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cs1 111155610 NLSALSGXLSUBEA-UHFFFAOYSA-N 362.499 2.627 0 50 FFAA CN1CCN(CCCC(F)(F)F)C[C@]12CCC(=O)N(CC1CC1)CC2 107411291 MTBCRVYOTIDZBT-QGZVFWFLSA-N 361.452 2.738 0 50 FFAA Cc1ccc(N[C@@](C)(C(=O)NCCCc2nnn[nH]2)c2ccccc2)cc1 55211542 SPWSZQIHGQAESV-HXUWFJFHSA-N 364.453 2.584 0 50 FFAA C[C@@H](CC1CCCCC1)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 55104342 HDMKHWKMAPWBNX-ZDUSSCGKSA-N 366.483 2.997 0 50 FFAA CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1/C=C/N(C)C 22607513 KXOOEFWQTSZVQS-ZHACJKMWSA-N 369.400 2.948 0 50 FFAA COCCCn1cnnc1[C@@H](C)NCc1cnc(-c2cccc(C)c2)nc1 63884647 GQYLDFINWDXYPX-MRXNPFEDSA-N 366.469 2.931 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)c3cc(Cn4ccc5ccccc54)[nH]n3)C2)n1 67674563 RXUFMWWIPBIQTK-UHFFFAOYSA-N 374.448 2.923 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CCCN1C(N)=O 67714591 GDJKDHWAWJHETK-INIZCTEOSA-N 368.437 2.650 0 50 FFAA Cc1nc(CCN)cc(N2CCC[C@@H]2c2nc(-c3ccccc3)no2)n1 67688441 FZWNINOAEOYXGY-MRXNPFEDSA-N 350.426 2.678 0 50 FFAA COC(=O)Cc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1 121462513 ILTQBCWDMPSWOP-MRXNPFEDSA-N 370.405 2.629 0 50 FFAA CCOC(=O)N1CCN(c2nncc(-c3cc4ccccc4o3)n2)CC1 11814090 MBSHVPUZTGNTQF-UHFFFAOYSA-N 353.382 2.563 0 50 FFAA COc1cc(OC)c(C(=O)Nc2nn(C)c3nc(C)cc(C)c23)c(OC)c1 12446564 OCQKEMIKZFTMSC-UHFFFAOYSA-N 370.409 2.863 0 50 FFAA Cn1ncc2c1ncn1nc(-c3cccc(OC(F)(F)C(F)F)c3)nc21 2800747 FYELUQPCPFOYHW-UHFFFAOYSA-N 366.278 2.915 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nnn[nH]3)[C@@H](C)C2)cc1 77440752 GWQBKJTYZQFFIV-HNNXBMFYSA-N 362.437 2.526 0 50 FFAA CCc1cccc(OCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 30767986 KISUQMYNDZAEME-UHFFFAOYSA-N 368.433 2.739 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CCS[C@H]2COCC[C@@H]21 124985308 ZHMYUESSABHURO-ZFWWWQNUSA-N 361.492 2.508 0 50 FFAA O=C(c1ccco1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72173925 JAMQQTVALGCNRH-CDHQVMDDSA-N 366.417 2.711 0 50 FFAA CN1C[C@@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O 71769361 IVTCMCHDGNMLML-OAQYLSRUSA-N 364.489 2.783 0 50 FFAA Cc1nc(S)sc1CC(=O)N1CCO[C@]2(CCc3ccccc32)C1 155514241 NXEMTKKURQJWEW-GOSISDBHSA-N 360.504 2.983 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)Cc2ccccc2O1 333154547 GDCCJHJKMFNUHJ-SIXWZSSISA-N 370.453 2.633 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H]1CN1CCOCC1 132334606 ZBMBUDVTEJJSPF-ZDUSSCGKSA-N 360.351 2.781 0 50 FFAA COc1cc(C2(C(=O)Nc3cccc(-n4cn[nH]c4=O)c3)CC2)ccc1C 156512807 CHMYVQZZSLLZER-UHFFFAOYSA-N 364.405 2.548 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(CSc2ccccc2)o1 72475645 DHAWBDRLWKJYPE-ZDUSSCGKSA-N 361.419 2.888 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)[nH]n2)s1 77519771 NGZRMPVVJWNKLR-CYBMUJFWSA-N 361.467 2.905 0 50 FFAA CCCNc1ncc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cn1 77344145 CUXUSHBEJLVMOR-FQEVSTJZSA-N 357.502 2.666 0 50 FFAA C/C(=C\C(=O)N1CCC[C@@](O)(c2cn(C(C)C)nn2)C1)c1ccccc1 285035878 VWIKVABZIDXESC-GRFAERAESA-N 354.454 2.773 0 50 FFAA COc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)ncn1 72476180 XTRQFDVJJXRKTI-GOEBONIOSA-N 372.494 2.607 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)ncc1Br 284509498 HWLJSHXVWONZLQ-XPKDYRNWSA-N 355.276 2.909 0 50 FFAA CC(C)n1cc([C@@H]2CN(CC3=Cc4ccccc4OC3)C[C@H]2CO)cn1 284703805 UGQDOAYFRDAOPD-PMACEKPBSA-N 353.466 2.948 0 50 FFAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nc(-c2cccnc2)no1 229899995 ABSALNFYRCZFOH-IAOVAPTHSA-N 355.442 2.668 0 50 FFAA CC[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)O)c2C(N)=O)C1 17073062 MGXNAIHDNDGLSA-ZJUUUORDSA-N 352.456 2.801 0 50 FFAA Cc1nc(N(C)C)nc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1C 426739035 KVIIAHQBIHPPIX-UHFFFAOYSA-N 354.454 2.735 0 50 FFAA Cn1cnc(-c2cccc(NC(=O)N3CCC(N4CCCC4)CC3)c2)n1 161622972 LHACWGGFSSWNBB-UHFFFAOYSA-N 354.458 2.574 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccn(C(F)F)n3)CC2)CN1CC1CC1 91426321 IYNBEHFEKARLPA-UHFFFAOYSA-N 366.412 2.533 0 50 FFAA Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 291238611 XJDYFTXANVRMJY-UHFFFAOYSA-N 369.830 2.758 0 50 FFAA CCc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)C(C)=O 239309137 HFQSYBRTVXCLOS-BUJXUYPKSA-N 364.445 2.613 0 50 FFAA Cc1c(C(=O)NC[C@H]2CCCN2)nnn1-c1ccc(-c2ccccc2)cc1 178762824 WRQOHSWSECJTAZ-GOSISDBHSA-N 361.449 2.725 0 50 FFAA O=C(c1ccc2cccc(Cl)c2n1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 97553340 LSIPZCVCMNSIIC-CYBMUJFWSA-N 368.824 2.991 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC(F)(F)CC1 96162107 IAJMSYGGTQWPBN-UHFFFAOYSA-N 353.369 2.850 0 50 FFAA O=C(c1cccnc1)[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 95364088 DHFMIAWUQCDJID-KRWDZBQOSA-N 373.416 2.669 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)COc1ccc(C(C)=O)cc1)CC2 95371236 WWSOLUXXRFLWEA-UHFFFAOYSA-N 353.418 2.904 0 50 FFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccn[nH]2)cc1 95499949 CCAOUDIZCOTGRX-KRWDZBQOSA-N 357.458 2.651 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3nc(C(C)C)no3)CC2=O)cc1 91737546 XXWVDCFMXJVJPI-HNNXBMFYSA-N 370.453 2.986 0 50 FFAA Cc1ccccc1[C@H](C(=O)NCc1cccc(C(=O)N(C)C)c1)N(C)C 95521876 FFVVBBVFBYNGAC-LJQANCHMSA-N 353.466 2.616 0 50 FFAA Cc1cnn(CC2CCN(C(=O)[C@H]3CC(=O)Nc4ccc(F)cc43)CC2)c1 91858662 TWDXVPVPXQXLFH-KRWDZBQOSA-N 370.428 2.695 0 50 FFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCN(C2CCSCC2)CC1 97654193 YXSJPBCJIZMTLD-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@H]1OCCc2ccccc21 97772810 WPNHXGDMXKKICT-GOSISDBHSA-N 374.462 2.834 0 50 FFAA CC(C)[C@H](Nc1ncnc2ccccc12)C(=O)N1CC(N2CCCCC2)C1 244708270 KQKVOQSIKNZWDT-IBGZPJMESA-N 367.497 2.763 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252528103 FBYGPSZZIRVMFC-SUYBPPKGSA-N 370.840 2.933 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCOC1)c1cccc(Br)c1 299753900 ZSJITYGKWVAYCY-GXFFZTMASA-N 356.216 2.508 0 50 FFAA CNc1ccc(-c2ccc(C(=O)N[C@H](c3nccn3C)C3CC3)cc2)nn1 534592622 HLEPDCMWSYISJC-SFHVURJKSA-N 362.437 2.800 0 50 FFAA O=C(c1cccc(-c2cncnc2)c1)N1CCCN(Cc2ccncc2)CC1 299767861 WNGDFHOIGHTDOI-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA O=C(Nc1cc(F)c(F)c(F)c1)NC1CCN(C[C@H]2CCCO2)CC1 299798217 WORXNPOWWSLZHU-CYBMUJFWSA-N 357.376 2.869 0 50 FFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1CC(=O)OC12CCCC2 828244515 IJDDLFBBHWVHRC-QGZVFWFLSA-N 367.449 2.766 0 50 FFAA Cn1nc2c(c1C(=O)N[C@H]1CCCN(Cc3cccs3)C1)CCCC2 828209857 BVZZTDDXYZMRDO-AWEZNQCLSA-N 358.511 2.755 0 50 FFAA Cc1noc(C)c1CN1CC[C@H](Nc2nc3ccccc3s2)[C@@H](O)C1 1565529098 LVPZHCJXUOZWEK-HOCLYGCPSA-N 358.467 2.948 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c2cnn(C3CCCC3)c2n1 952987028 NDQLMEMPRWGEPA-CQSZACIVSA-N 369.469 2.594 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1Cc2ccccc2CN1 952980621 ABNHZVCOVOWGBZ-HXUWFJFHSA-N 363.461 2.884 0 50 FFAA COc1ccc2c(c1)CCCCN2C(=O)Cc1ccc(-n2cnnn2)cc1 270878101 VKJGACMVVOCCMC-UHFFFAOYSA-N 363.421 2.583 0 50 FFAA CCc1c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cnn1-c1ccccc1C 186001913 XIFWLHHYWMXXQY-OAHLLOKOSA-N 368.481 2.872 0 50 FFAA Cc1nccc(N2CCN(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)n1 408213773 DGCPIPKTTXDPQP-GFCCVEGCSA-N 372.498 2.720 0 50 FFAA O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H]1COCCN1C1CCCC1 188684694 WRKGNMTVADSXMU-SFHVURJKSA-N 358.417 2.593 0 50 FFAA CC1(C)CC(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC(C)(C)N1 1529119787 LVVMOJWLOJEIHG-MSOLQXFVSA-N 359.514 2.702 0 50 FFAA COc1ccc(CN2CCCN(C(=O)c3ccc(F)c(F)c3)CC2)cn1 1529179389 AREAKJJFJIHNSY-UHFFFAOYSA-N 361.392 2.717 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 1704311811 CYYDJSIGEOVGII-ZBFHGGJFSA-N 351.450 2.515 0 50 FFAA Cc1nc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cs1 1704351019 MGKPCUZRGQLRPK-DNVCBOLYSA-N 367.474 2.916 0 50 FFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCO)Cc2cncn2C)c1 1704331066 JTYLCJKFIMMXFK-INIZCTEOSA-N 359.470 2.640 0 50 FFAA Cc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)n[nH]1 215481926 DBAKMUPVEYYMBE-QAPCUYQASA-N 358.511 2.835 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)c1C 216249748 XBPJOMATHHTGAC-MSOLQXFVSA-N 371.437 2.551 0 50 FFAA CC(C)c1nccc(C(=O)N2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)n1 1772707984 ACMDGUCOPDVBHS-XMSQKQJNSA-N 364.493 2.894 0 50 FFAA Cc1cccc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)c1 12303925 MUIPGZSYQTWAIX-NRFANRHFSA-N 374.431 2.917 0 50 FFAA CN(C)c1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 12307852 VOZBELXDGHOUNT-NRFANRHFSA-N 355.482 2.617 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](N(C)CC(C)C)CC3)o1 14542466 TXEMIUIVEDIKTQ-HNNXBMFYSA-N 358.486 2.697 0 50 FFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CSC)CC1 14973949 CKLOCZTYHQTJFN-UHFFFAOYSA-N 365.495 2.773 0 50 FFAA C[C@@]1(C(=O)N2CCN(c3nsc4ccccc34)CC2)CC12CCNCC2 1857684730 AVTNFFSOVQMXGN-IBGZPJMESA-N 370.522 2.725 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)C3CCOCC3)C1)CC2 1857695377 HEXXFJLUUNGXLY-OAQYLSRUSA-N 373.497 2.713 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@]23CC[C@H]1O3 1857737107 XRESYNXWHUOJKG-LXHQRSRJSA-N 372.465 2.762 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)CC[C@H]1N 1857739085 JCCGLQZVSMFHOK-PWRODBHTSA-N 373.541 2.821 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(CCCOCc3ccccc3)C[C@]23CC[C@H]1O3 1875247437 VVYASYFPMURVSY-GPQLQYNLSA-N 372.509 2.599 0 50 FFAA CC(C)(c1ccc(OC[C@H](O)CO)cc1)c1ccc(OC[C@H]2CO2)cc1 5357701 NBLIPZBCGXIEFO-XLIONFOSSA-N 358.434 2.522 0 50 FFAA biogenic,in-vitro C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cnc(C3CC3)nc2)C1 456351889 XIQNXXADGNAOSC-MRXNPFEDSA-N 350.466 2.948 0 50 FFAA O=C(c1csnn1)N1CCC([C@H]2CCN(CCc3ccccc3)C2)CC1 15070931 BRSUDCBPHAWRQT-SFHVURJKSA-N 370.522 2.955 0 50 FFAA Cc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 247941967 GTBHIWKEAIQMSJ-QUCCMNQESA-N 370.472 2.844 0 50 FFAA CCOCc1nc([C@@H](C)NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)no1 823024166 YDRQHPAXAMOWKE-NOZJJQNGSA-N 373.331 2.536 0 50 FFAA CC(=O)N1CCC[C@@H]1c1nc(CS(=O)(=O)c2ccccc2)cs1 864368198 LPENLYMUFGQTFI-OAHLLOKOSA-N 350.465 2.800 0 50 FFAA C[C@@H](C(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1)c1cnn(C)c1 874510985 KCPXYZVOHMGIPO-LKUPVBHCSA-N 352.482 2.504 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)c(C)n1C 952848732 SSPHYRWZMWZJEE-SJORKVTESA-N 353.470 2.903 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1ccnc2cc(F)cnc12 1875399622 FUGSEDHVQBFVCA-WBMJQRKESA-N 354.389 2.581 0 50 FFAA C=CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875370807 DXMQAWJYTWRONU-MFKMUULPSA-N 357.237 2.525 0 50 FFAA O=C1CNC(=O)N1c1cccc(NCc2cncc(-c3cccnc3)c2)c1 1875342062 VXSSDCWSVUWQFW-UHFFFAOYSA-N 359.389 2.812 0 50 FFAA CC(=O)N1C[C@H](NCc2nc3ccccc3n2C)CC[C@H]1C(F)(F)F 886036584 YSBWVGWPXCRCGN-DOMZBBRYSA-N 354.376 2.605 0 50 FFAA Cc1cc(C)n(Cc2ccc(-c3noc([C@H]4CNC[C@@H](C)O4)n3)cc2)n1 888078457 SZOPVMZXLJFCJW-RHSMWYFYSA-N 353.426 2.648 0 50 FFAA O=C(NCc1ccccc1F)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 1321369795 XWDUJGBTTVIHNL-QGZVFWFLSA-N 355.413 2.930 0 50 FFAA CCN1CCN=C1NCc1ccc(Br)c(Br)c1 2325863985 CAJVSODAPJQEHL-UHFFFAOYSA-N 361.081 2.993 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1 2325883352 FXZCJAWDLUZBPJ-UHFFFAOYSA-N 356.422 2.794 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1 789370 GHADMUTVSXEYDA-UHFFFAOYSA-N 374.387 2.895 0 50 FFAA CCc1nc(Cn2c(C(C)C)nc3ccccc32)n(C[C@H]2COCCO2)n1 2356153421 GFJYKWDOANGQGP-HNNXBMFYSA-N 369.469 2.777 0 50 FFAA COc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1 2872862 QYMBDGDSJJRYIN-UHFFFAOYSA-N 352.232 2.783 0 50 FFAA O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 6626057 WWIDVBYIHJEGOD-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6727046 BEYAEIJMMUGRIU-YVZJPGBNSA-N 374.456 2.607 0 50 FFAA CCN(Cc1noc(C)n1)C[C@H]1[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]12 102324026 UXLVVOHCANCLRG-NNZMDNLPSA-N 354.454 2.527 0 50 FFAA COC1=C[C@H](O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 101013317 QDNCNBBKBODBDR-BTKFHORUSA-N 354.786 2.602 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)C[C@@H]1NC(=O)c2ccccc21 20878171 KIUVSAZDTRZXJQ-HNNXBMFYSA-N 352.419 2.525 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)[C@@H]1CCOC1 20906216 HLOBHZCZGWMKEM-CTNGQTDRSA-N 366.461 2.775 0 50 FFAA Cc1nc2c(c(N(C)Cc3nc4c(C)cccc4[nH]3)n1)CCN(C)CC2 67459813 RKBGXNYRKAPYEJ-UHFFFAOYSA-N 350.470 2.637 0 50 FFAA Cc1cc(C)c(CN2CCC[C@H](N3CCOCC3)C2)c(-n2cccn2)c1 23358360 QLWPIKPVHCIZOR-IBGZPJMESA-N 354.498 2.786 0 50 FFAA Cc1nonc1OCCn1cnc(-c2ccccc2)c1CCn1cccn1 65430570 KHFNYQKIJLJCLL-UHFFFAOYSA-N 364.409 2.760 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@@](C)(O)C3)c(C)o2)cc2c1OCO2 67783861 KCPNYIYUTPWFPG-LJQANCHMSA-N 360.410 2.734 0 50 FFAA Cc1cc2c(cc1O)NC(=O)C[C@H]2c1c(C)n(C)n(-c2ccccc2)c1=O 65385359 GXAXUFYJBHJQEG-MRXNPFEDSA-N 363.417 2.973 0 50 FFAA C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccccc1-n1cccn1 65418857 GIIJSBJEAUPJDR-HNNXBMFYSA-N 358.405 2.944 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O 252481762 CRKPVQYQJRQGIK-ZDUSSCGKSA-N 368.437 2.710 0 50 FFAA COc1ccc(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1OC 67691105 BLIOELHXQSXMCU-UHFFFAOYSA-N 355.438 2.876 0 50 FFAA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1427900 QNSDBUFGGGWGLD-CQSZACIVSA-N 365.385 2.997 0 50 FFAA CNc1cc(N2CCC[C@H]2CN[C@H]2CCCc3ccc(O)cc32)ncn1 329736452 LLXWWJJKXZEGBO-YJBOKZPZSA-N 353.470 2.860 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1CCCN(C2Cc3ccccc3C2)CC1 77377482 VTBKQKXJVGFMCI-UHFFFAOYSA-N 364.445 2.731 0 50 FFAA COc1ccc([C@H](N)CC(=O)N2CCC(c3ccncc3)CC2)cc1OC 77486983 OGVAYJYCJGGFAW-GOSISDBHSA-N 369.465 2.895 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N(C)C3CCS(=O)(=O)CC3)c2c1 77287742 JYJCKLSMWISNNO-UHFFFAOYSA-N 360.479 2.755 0 50 FFAA CN(CC[C@@H]1CCCO1)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 329017912 GXFSWXOMQSSTMK-CMKODMSKSA-N 371.481 2.551 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 363335866 XBKQFAKZOVYYRW-QZTJIDSGSA-N 374.416 2.807 0 50 FFAA CN(C(=O)c1ccc(NCc2nnnn2C)cc1Cl)C1CCCCC1 331605935 JDHMCFDCEMWEBK-UHFFFAOYSA-N 362.865 2.880 0 50 FFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc3nc(O)[nH]c3c2)n1 369496872 QTMPLZJURPASQY-AWEZNQCLSA-N 351.410 2.689 0 50 FFAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(CCOC2)C1 157567886 SQNFBZOCMWDWLW-FQEVSTJZSA-N 361.461 2.612 0 50 FFAA CN1CC[C@@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@@H]1c1ccccc1 332856336 XUSRGJISLLQPDO-QUCCMNQESA-N 367.449 2.742 0 50 FFAA Cc1ncccc1Oc1ncnc(N2CCC[C@H](N3CCCC3=O)C2)c1C 71712130 WLAABHDDSRLXJL-INIZCTEOSA-N 367.453 2.872 0 50 FFAA C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nc(C2CCCC2)no1 173092397 BFOGUBCIIVCVDJ-LBPRGKRZSA-N 356.430 2.608 0 50 FFAA C[C@@H]1CCCN1Cc1cc2n(n1)CCCN(C(=O)NCc1ccco1)C2 72447766 VCOOQZSGLGXCJU-OAHLLOKOSA-N 357.458 2.576 0 50 FFAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cccc(F)c1)CC2 72479692 RCLXWQFSAVQLFO-UHFFFAOYSA-N 354.429 2.765 0 50 FFAA O=C(O)CN(C(=O)/C=C(/c1ccccc1)C(F)(F)F)C1CCOCC1 238106104 KSOXZAAMDQELEP-UVTDQMKNSA-N 357.328 2.725 0 50 FFAA Cc1nccn1CC[C@H](C)N1CCC2(CC1)Nc1ccccc1NC2=O 82162008 IKMYOCZNHHFNNO-HNNXBMFYSA-N 353.470 2.869 0 50 FFAA CSc1nnc(CC2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)n1C 82108056 FJFNSZQDYCLIPV-UHFFFAOYSA-N 372.498 2.975 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCN2)o1 178755237 XGVQUOLHOGZGSM-OAHLLOKOSA-N 350.422 2.923 0 50 FFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1ccc(-c2nccn2C)cc1 426428951 LMIPDVUFJTXUMC-IBGZPJMESA-N 364.449 2.895 0 50 FFAA CCC[C@@H]1CN(c2cc(C(F)(F)F)cc(C)n2)C[C@H]1NS(C)(=O)=O 82121259 LACYZQRCQLYKRX-DGCLKSJQSA-N 365.421 2.563 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)CCSc1ccc2c(c1)OCCO2 222589275 PRIRLUNVEJBXMO-CQSZACIVSA-N 361.467 2.732 0 50 FFAA CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCc2cccnc2)CC1 426701364 GGKABIVGOWHYCI-GOSISDBHSA-N 360.502 2.647 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NC2CCCCCC2)CN1C1Cc2ccccc2C1 20453924 YXIBIUSCQWDUPJ-CTNGQTDRSA-N 355.526 2.655 0 50 FFAA CC[C@@H](C(=O)NCCn1cc(C)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607698 PNACHEOTAUUWQW-ZDUSSCGKSA-N 369.391 2.663 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1 95527705 CITDKOUCGVEZSD-OAHLLOKOSA-N 358.413 2.921 0 50 FFAA COc1ccccc1CN(C(=O)CN1C(=O)OC(C)(C)C1=O)C1CCCC1 95520556 NAGGKAIHRIQXGZ-UHFFFAOYSA-N 374.437 2.724 0 50 FFAA O=C(CCC1CCN(c2ncnc3ccsc23)CC1)NC[C@@H]1CCCO1 95507454 SOLDDSRJMKXTEF-HNNXBMFYSA-N 374.510 2.983 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)C1 95498728 VURPQABQJGEBJX-LJQANCHMSA-N 372.509 2.571 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCCc1nc3ccccc3[nH]1)C2 91474823 IRJKPLIDVISQOM-OAHLLOKOSA-N 365.433 2.872 0 50 FFAA COc1ccc(C(C)C)cc1CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 230154119 QJQIUVPNKGMNTJ-JOCHJYFZSA-N 373.541 2.947 0 50 FFAA Cn1ccnc1CN1CCC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1 95501379 PGQHTTFSFHEKPR-MRXNPFEDSA-N 364.453 2.661 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)C1(N3CCCC3)CCCC1)C2 91594407 YHUJQOQBQROABO-MRXNPFEDSA-N 358.482 2.771 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1cn3ccccc3n1)CC2 91620066 PXFCQAXDMBFJRX-UHFFFAOYSA-N 370.497 2.575 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@@H](c3cccnc3)N3CCOCC3)CC2)c1 95362266 KBTDUNZZUVJSTH-HXUWFJFHSA-N 365.477 2.655 0 50 FFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCOc2cc(F)ccc21 181388814 UFEPKNQXQHJBIM-CVEARBPZSA-N 363.433 2.738 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CCCN(C2CCOCC2)C1 95372590 ATHPRVHZAXFEPW-AWEZNQCLSA-N 374.460 2.551 0 50 FFAA CC[C@@H](C(=O)NC1CCCC1)n1ccc2ccc(C(=O)OC)cc2c1=O 95390687 QCVJUAGZWSSYHU-KRWDZBQOSA-N 356.422 2.798 0 50 FFAA Cn1ccc(NC(=O)CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)n1 244773807 PGYBAJNGKSGGNO-OAHLLOKOSA-N 356.405 2.601 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cccn2)cc1 299750893 ORDWIUHVFKGECK-IBGZPJMESA-N 361.401 2.583 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)N(CCC(=O)O)C2CCOCC2)ccc1Cl 299747218 CKCNWGVOXGUAFV-ZDUSSCGKSA-N 369.845 2.898 0 50 FFAA O=C(COC[C@H]1CCCCO1)NCCCc1nc2cc(Cl)ccc2[nH]1 252486654 HNZSFNRRJNKNIP-CQSZACIVSA-N 365.861 2.851 0 50 FFAA COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc2nnn(C)c2c1 185154494 OYPGLJGQOSFKRJ-MRXNPFEDSA-N 350.422 2.824 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NCc2ccccc2)CN1Cc1ccccc1Cl 39552412 ZTMAFJZIQATLCM-MJGOQNOKSA-N 357.885 2.819 0 50 FFAA O=C(O)[C@H](C(=O)NCc1cnn(-c2cccc(F)c2)c1)C1CCCCC1 299786660 NSBWFFNQPFSQAM-KRWDZBQOSA-N 359.401 2.909 0 50 FFAA Fc1ccccc1N1CCC(NCc2nc(-c3ccncc3)n[nH]2)CC1 584901979 ULKGLCHVLFLELM-UHFFFAOYSA-N 352.417 2.764 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)N(C)CC2(CO)CCOCC2)cc1F 584897343 FDQATWYVZKYCFW-AWEZNQCLSA-N 368.449 2.716 0 50 FFAA CCCN(C/C=C/c1ccccc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 670461016 SBMFWMOQRNJGLG-RUJXFNLJSA-N 350.484 2.699 0 50 FFAA CCC1(CC)CN(C(=O)c2ccccc2OC(F)F)CCS1(=O)=O 170601423 JYXOAKQKSGLVPG-UHFFFAOYSA-N 361.410 2.717 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)c1c[nH]nc1-c1ccsc1 188977289 MJVCYVQXKZHQQB-UHFFFAOYSA-N 350.407 2.649 0 50 FFAA C[C@H](C(=O)N1CCC(Nc2nccs2)CC1)N1CCc2ccccc21 190415104 CIZXKAHFSVRRPP-CQSZACIVSA-N 356.495 2.997 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)CCc3nc4ccccc4s3)C[C@@H]2O)on1 1529133571 PITLMDZVVOIMIS-CJNGLKHVSA-N 371.462 2.587 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704340317 GAVAHYNFGGRJNY-IEBWSBKVSA-N 362.495 2.891 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(OC(F)(F)F)cc1 1704316352 NBYSZGJFXJAXBW-UHFFFAOYSA-N 370.375 2.821 0 50 FFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1c1nc2c(c(C(F)(F)F)n1)CCCC2 1772711686 JBYIKRQNXFBAOG-WDEREUQCSA-N 354.376 2.574 0 50 FFAA CCCOc1ccc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1CO 1772700376 DHHSCFZXBMUMHL-FQEVSTJZSA-N 368.477 2.511 0 50 FFAA Cc1nc2ccccc2nc1COc1ccc(N(C)S(C)(=O)=O)cc1 12372676 OBDOKUXAGUCEFN-UHFFFAOYSA-N 357.435 2.913 0 50 FFAA CCOC(=O)[C@H]1CCCCN1C(=O)CCc1nnc(C2CCCCC2)o1 12458244 WMPORFYBMRSVQN-OAHLLOKOSA-N 363.458 2.994 0 50 FFAA Cc1cc(-c2cnnc(NCc3ccc4c(c3)n(C)c(=O)n4C)n2)c(C)o1 12467954 TZHPPFOWFYQYAT-UHFFFAOYSA-N 364.409 2.551 0 50 FFAA O=C(CN1CCN(Cc2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 19899455 FXXUORSRWFSSNK-NRFANRHFSA-N 362.477 2.764 0 50 FFAA CO[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1Cl 153799423 MGIUKCBKJWEFII-QGZVFWFLSA-N 367.854 2.941 0 50 FFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N(CCO)Cc1nccs1 1857674711 VBRGHWDOPMHNKN-UHFFFAOYSA-N 360.414 2.615 0 50 FFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCc4ccon4)C3)nc2c1 1857695672 TWQXTRGEHWFVAH-ZDUSSCGKSA-N 370.409 2.747 0 50 FFAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857714189 MTCJNFJUKBDZFZ-MLZLACJZSA-N 353.510 2.813 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)o2)cc1 1857727467 SPGKQUANQUOHGQ-LTVCHDBBSA-N 369.417 2.567 0 50 FFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 828162 OLXDGYZCUWEWFD-SNVBAGLBSA-N 366.361 2.828 0 50 FFAA COc1cccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)c1 216335311 GWIIUSZASRJHQK-QUCCMNQESA-N 365.477 2.756 0 50 FFAA Cc1ccccc1[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)[C@@H](C)CO1 330052739 PNNPWFKLUQBNDA-SCTDSRPQSA-N 368.481 3.342 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 237644165 FIOWMNUUPCXHRF-QGZVFWFLSA-N 363.801 2.646 0 50 FFAA O=CN1CCN(Cc2nc(NC3CCCCC3)c3ccccc3n2)CC1 12004237 MGNLQKYLNNEUJZ-UHFFFAOYSA-N 353.470 2.648 0 50 FFAA O=C1N[C@@H](CC2CCOCC2)C(=O)N1CCOc1ccc2ccccc2c1 904134350 BUKBCTOPRMIJRN-IBGZPJMESA-N 368.433 2.956 0 50 FFAA Cc1ccc(CC(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cn1 952849121 YGKVQRXFHWLJBX-SJORKVTESA-N 351.454 2.580 0 50 FFAA O=C(NCCc1cn[nH]c1)Nc1ccc2c(c1)C1(CCCCC1)C(=O)N2 1875296739 MSGSTFVJULVQBX-UHFFFAOYSA-N 353.426 2.928 0 50 FFAA COc1cc(OC)c(OC)cc1NC(=O)c1nn(-c2ccccc2)nc1C 1875262805 NADPIIDCNBNTNG-UHFFFAOYSA-N 368.393 2.854 0 50 FFAA COc1ccc(-c2nc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)c(C)o2)cc1 1875254770 QIZMBKITILTLJO-CYBMUJFWSA-N 352.394 2.669 0 50 FFAA C[C@H](NC(=O)c1cncnc1N[C@H]1CCSC(C)(C)C1)c1cn(C)cn1 1875360708 GUPLQITZTBVNDR-STQMWFEESA-N 374.514 2.787 0 50 FFAA O=C(CCCc1ccccc1Cl)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875401188 SQEYHOFJWHKXNJ-ZTFGCOKTSA-N 361.873 2.815 0 50 FFAA CC(=O)N1C[C@H](NCc2cn3cc(C)ccc3n2)CC[C@H]1C(F)(F)F 886038328 YGTYZWGHGSDFDV-HIFRSBDPSA-N 354.376 2.674 0 50 FFAA C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(C(=O)CCc1cn[nH]c1)C2 913085717 UHAXBOQKSMOBQP-SFTDATJTSA-N 352.482 2.713 0 50 FFAA O=C(NCc1ccc2nc[nH]c2c1)N1CCC(CCN2CCCC2)CC1 584890761 JXYWLIFNCGOQFT-UHFFFAOYSA-N 355.486 2.970 0 50 FFAA N=c1[nH][nH]c2cc(-c3cn(C[C@H]4CCN(Cc5ccccc5)C4)nn3)ccc12 2325822262 NCPAVDDGZMRERP-INIZCTEOSA-N 373.464 2.756 0 50 FFAA CN(C)Cc1cncc(NC(=O)c2nc(Br)c3ccccn23)c1 2325856231 GSVIMXLODICJIT-UHFFFAOYSA-N 374.242 2.806 0 50 FFAA CCOC(=O)CCc1c(C(=O)OCc2ccccc2)[nH]c(C)c1C(=O)O 639942 NXKCFOWQOKNEDU-UHFFFAOYSA-N 359.378 2.874 0 50 FFAA CN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 894997 DNQUSKWSPIFOFH-QGZVFWFLSA-N 360.207 2.886 0 50 FFAA CN(CC1CCC1)C(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356141997 ZEEVIIAQCSOKSC-KUDFPVQQSA-N 353.466 2.577 0 50 FFAA COCC(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2356158352 YQGUAIDKSXJRCD-FQEVSTJZSA-N 354.450 2.597 0 50 FFAA Cc1cc2c(N3CCc4nc(-c5cccnc5)nn4CC3)ncnc2s1 2356164741 FGSBKSZDEYHQOQ-UHFFFAOYSA-N 363.450 2.716 0 50 FFAA O=C(NCCCn1ccnc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 6700589 VMCOUQMQFQOFKL-UHFFFAOYSA-N 365.315 2.772 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)c2ccccc2)cc1 6702719 GEQBZKJGOJFMSL-KRWDZBQOSA-N 359.447 2.569 0 50 FFAA CC(=O)O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 23550224 JXOFOOAZYUUFHE-KGMASTOKSA-N 365.514 2.873 0 50 FFAA C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[C@H](c2ccccc2)CO1 246772644 GHNLCVXSFPZGST-AYBZRNKSSA-N 368.433 2.617 0 50 FFAA Cc1nc(-c2cccc(CN3CC(O)C3)c2)[nH]c(=O)c1Cc1ccccc1 23145239 KTTZLONHLLFBBO-UHFFFAOYSA-N 361.445 2.513 0 50 FFAA CCCN(Cc1cccc(Cl)c1)C(=O)[C@H](Cc1c[nH]cn1)NC(C)=O 55119417 YEXVRTAYMXURKD-KRWDZBQOSA-N 362.861 2.549 0 50 FFAA CC(C)=CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@H]1CCO 105625318 ULTOOKXCMGCFNU-QGZVFWFLSA-N 364.559 2.578 0 50 FFAA Cc1ccc(N2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)nn1 115372126 QOQPGJZYRMYXCX-GOSISDBHSA-N 350.466 2.944 0 50 FFAA CCn1nc(NC(=O)c2ccc(CN3CCN(C(C)C)CC3)cc2)cc1C 65371359 XZBXPLASOSXOQL-UHFFFAOYSA-N 369.513 2.990 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(Sc2ccc(C)cc2)o1 67540031 YPATWGCRHGRBEA-YOEHRIQHSA-N 359.495 2.777 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)c2c(C)cc(C)[nH]c2=O)cn1 67850050 UUNUDGMLVJCIOE-UHFFFAOYSA-N 364.405 2.812 0 50 FFAA CCn1ncc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1C 20271592 NOWQGBACBCOEBZ-NRFANRHFSA-N 356.514 2.589 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1cccc(F)c1 67895458 JKGBSSQBWCVHEM-QFIPXVFZSA-N 370.468 2.902 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)CC2CCCCC2)cc1 252503337 VBNBDRQFHKOFOY-HNNXBMFYSA-N 368.499 2.791 0 50 FFAA COc1cc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1NC(C)=O 229969930 OOMYEFGMNSECIC-RHSMWYFYSA-N 366.483 2.997 0 50 FFAA CCNc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 125382141 ZYDCCPSAYMKLAW-UHFFFAOYSA-N 355.427 2.816 0 50 FFAA O=C(c1cccs1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 12151893 VJROEOZDJRNACK-CVEARBPZSA-N 355.463 2.796 0 50 FFAA O=C(O)c1cc(-c2ccccc2)cc(S(=O)(=O)N2CCSCC2)c1 72162761 JUGWDQSDSSJGOD-UHFFFAOYSA-N 363.460 2.789 0 50 FFAA O=C(c1cc[nH]c1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72424462 GYUGTCSPKRDSLJ-RBUKOAKNSA-N 351.450 2.711 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN1CCOc1ccc(OC(F)(F)F)cc1 173893399 DUOCTNHMEVDNJY-HNNXBMFYSA-N 358.360 2.707 0 50 FFAA Cc1nc(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c(C)s1 219301687 QEUCKRDWJDQEAB-SJORKVTESA-N 364.442 2.794 0 50 FFAA Cc1ncc(C(=O)N(CCCO)Cc2ccncc2)c(-c2ccccc2)n1 216338614 IRYFBSBBXYVWDV-UHFFFAOYSA-N 362.433 2.872 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@H]2c2nc3ccccc3n2C)cn1 72144918 ZWMMGBWSBAPONV-SFHVURJKSA-N 367.453 2.670 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N2CCCN(C(C)C)CC2)n[nH]1 71498596 FZHZIHSLLFSQLE-UHFFFAOYSA-N 372.469 2.554 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccc(C)c(NC(C)=O)c2)ccc1F 241701770 QKZBHZGBJWQFCK-UHFFFAOYSA-N 352.387 2.902 0 50 FFAA C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)C[C@H]1N1CCOCC1 175639186 TVTCJDXIKNRIQC-POAQFYNOSA-N 369.465 2.731 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)cc(C)n1 221266170 GIJOTNHOYVDYTM-HXUWFJFHSA-N 351.450 2.741 0 50 FFAA CC(C)CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1F 159886066 HCOYKVNEUQUEME-OAHLLOKOSA-N 350.390 2.890 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 77469835 WJKXQGMJKICSSZ-UHFFFAOYSA-N 373.416 2.624 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)c1ccc(-c2cc(F)ccc2O)cc1 426730295 CYNKKTVSBANJSW-SFHVURJKSA-N 372.440 2.775 0 50 FFAA CC(=O)N1CC2(CCN(Cc3c(C)cc(C)cc3C)CC2)C[C@@H]1C(=O)O 82108975 GUUCBMHHLGWEEZ-LJQANCHMSA-N 358.482 2.899 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)OCc3ccccc3)C2)CCC1=O 82092610 JDQRXNHJLHXWPP-HXUWFJFHSA-N 360.454 2.674 0 50 FFAA CCc1cc(CNC(=O)N2CCN(c3nc4ccccc4s3)CC2)on1 426509603 XUAOOYHJOSYYOT-UHFFFAOYSA-N 371.466 2.879 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CCC[C@H]2C[C@H](C)O)CC1 179008668 KXNIWXTYILEWFC-RDJZCZTQSA-N 361.486 2.609 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCN(CCO)CC3)cc2)c1 95526564 YVOQJCMMOSZZLK-UHFFFAOYSA-N 371.437 2.629 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2nc(C)c[nH]2)c1 96165078 IDKOUTPQDGHUNS-UHFFFAOYSA-N 365.821 2.620 0 50 FFAA CN(Cc1ccc2nonc2c1)[C@H](C(=O)O)c1ccc(-c2ccn[nH]2)cc1 95360599 XQUHGIWRMPVSQF-SFHVURJKSA-N 363.377 2.871 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1n[nH]c2c1CCCC2 96152738 FARMIPTWSDKMII-GOSISDBHSA-N 353.470 2.641 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CNc1ccc(Br)cc1 239025500 BSDIXANXEJIXCW-OSLXHZNNSA-N 373.250 2.872 0 50 FFAA O=C1CN(C(=O)CCO)[C@@H](Cc2ccccc2)CN1c1cccc(Cl)c1 91768877 IJTVMXHQOWHUIK-SFHVURJKSA-N 372.852 2.509 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O 95509683 WHAJETAEALWQOU-ZDUSSCGKSA-N 369.343 2.836 0 50 FFAA CCCc1nc(CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)no1 180277147 FJCCCNAMWCMKHG-OAHLLOKOSA-N 368.359 2.714 0 50 FFAA COc1ccc(CCCC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 91677852 ZUAYXYOPLYMCRJ-UHFFFAOYSA-N 358.482 2.879 0 50 FFAA OCCn1nc(C2CCCC2)nc1CCc1nc(-c2ccccc2F)no1 96132534 DYIBKFPVZXYGFC-UHFFFAOYSA-N 371.416 2.902 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c(OC)c1 95366076 VCCMKJLZDLRAJA-IBGZPJMESA-N 371.433 2.813 0 50 FFAA Cc1nonc1CC(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 95522307 DGLAXOPUGLXFCQ-UHFFFAOYSA-N 365.437 2.572 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)cnn1-c1ccccc1 91793692 YSTSBEKMSITWOR-CYBMUJFWSA-N 373.420 2.852 0 50 FFAA O=C(c1ncc[nH]1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 23620132 PIASPGIKJDJLRT-UHFFFAOYSA-N 356.817 2.799 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2nnc(-c3cccc(F)c3)o2)CC1 244734494 NGONMYQHUYUTRY-UHFFFAOYSA-N 370.384 2.817 0 50 FFAA Cc1cc(O)c2cccc(C(=O)N3CCCO[C@H](CN4CCCC4)C3)c2n1 253537298 KVSMHBXGGGNVOH-MRXNPFEDSA-N 369.465 2.576 0 50 FFAA CC(=O)NCc1ccc(-c2ccc(C(=O)NC[C@]3(C)CCCO3)cc2)nc1 534649180 RCHYCICXXZGJPK-NRFANRHFSA-N 367.449 2.684 0 50 FFAA O=C(NCc1noc(C2CC2)n1)N1CCCN(Cc2ccccc2F)CC1 534655016 PADSAOFDHFCHMM-UHFFFAOYSA-N 373.432 2.504 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)NCCC[C@H]3CCOC3)CC2)cc1 299801987 ZMRPMCXICUDCLG-KRWDZBQOSA-N 358.482 2.780 0 50 FFAA C[C@H]1c2ccc(Cl)n2CCN1C(=O)[C@]1(c2ccccc2)CNC(=O)C1 854482834 PBRBROVPXUOGIH-DJJJIMSYSA-N 357.841 2.503 0 50 FFAA c1ccc(-c2noc(NC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)n2)cc1 952968648 NSZOZJFBXWRBNN-BAUKFBFWSA-N 363.425 2.883 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccc(F)cc1C 952967539 BRGFYXHBHPXAIY-IBGZPJMESA-N 369.440 2.636 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)n1C 275796571 UNYYNWJGWKVNCI-MRXNPFEDSA-N 358.511 2.917 0 50 FFAA Cc1ncsc1CCN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 1616108027 AHBCUDPXSNBWDR-GUYCJALGSA-N 370.540 2.651 0 50 FFAA Cc1nccn1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1616125172 GDBPGNOGLMKONN-YLJYHZDGSA-N 364.449 2.504 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cccc(OCCO)c3)C1)CC2 1704305561 LELJCNJLVPINOV-NRFANRHFSA-N 353.466 2.636 0 50 FFAA Cc1nn(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)c1Cl 219567179 NAADXJUPXUEVOL-CVEARBPZSA-N 373.888 2.514 0 50 FFAA COC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)c(C(N)=O)c1C 996469 XYAIXEALWNTGNP-VMPITWQZSA-N 362.382 2.733 0 50 FFAA CN1CCC[C@H](C(=O)N2CCCN(Cc3cccc4ncccc34)CC2)C1 1775980618 FLQLXTBEQXLKCG-IBGZPJMESA-N 366.509 2.611 0 50 FFAA CCCN(CC1CC1)C(=O)c1cn(CC(C)C)cc(C(=O)NCC)c1=O 12450720 LVXKEIUUDPJLPU-UHFFFAOYSA-N 361.486 2.516 0 50 FFAA COCCN1CCN([C@H](C)Cc2cccc(C(F)(F)F)c2)CCC1=O 14997327 UMFQGTFVYMGAQA-CQSZACIVSA-N 358.404 2.817 0 50 FFAA CC[C@@H](C)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19841949 ZKRNPUSPEKWIJP-CYBMUJFWSA-N 355.276 2.771 0 50 FFAA Cc1nn(CC(=O)N2[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]2C)c(C)c1Cl 408114955 GVFXOHCRIXZMNF-VXGBXAGGSA-N 368.909 2.647 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237734296 VEMNUFPAMQLTQM-UBHSHLNASA-N 374.466 2.710 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](C(=O)O)C2)c1C(F)(F)F 237737921 XNVIEYLLYFXPIT-NSHDSACASA-N 367.327 2.746 0 50 FFAA O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn([C@@H]2CCOC2)c1 132819330 KVARMYQTKIRGCQ-MRVPVSSYSA-N 363.773 2.577 0 50 FFAA Cc1nc(C)c(CN2CCn3c(Cc4ccccc4Cl)nnc3C2)[nH]1 931752190 KELJTADUHICJBJ-UHFFFAOYSA-N 356.861 2.878 0 50 FFAA Cc1cccc([C@@H](CO)N2CCN(C(=O)c3ccc(Cl)cc3O)CC2)c1 1875264406 ULVGLXAZPDPLKP-GOSISDBHSA-N 374.868 2.845 0 50 FFAA COc1cccc(Cl)c1[C@H]1CN(C(=O)c2ccn3nncc3c2)CCO1 1875308779 WIYFEFAVSRQHIM-MRXNPFEDSA-N 372.812 2.605 0 50 FFAA CN(Cc1ccnc2ccccc12)C(=O)c1cc2c(cc1F)OCC(=O)N2 1875320602 HCIREIRILRGCGA-UHFFFAOYSA-N 365.364 2.977 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1 1875402851 MKZBFHKXVYDHQH-MJXNMMHHSA-N 369.396 2.852 0 50 FFAA Cc1cccc(C)c1-n1nnnc1SCC(=O)N1C[C@@H](C)C[C@H](C)C1 2872163 KIJXSSTZZCLSEO-STQMWFEESA-N 359.499 2.876 0 50 FFAA CN(C)[C@H](CNC(=O)c1cnc2c(c1)ncn2C)c1ccc(Cl)cc1 2325728778 XKOAPHZCWDQASV-MRXNPFEDSA-N 357.845 2.654 0 50 FFAA O[C@]1(CNC[C@@H]2CCCN2Cc2ccccc2)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 2325754281 IVONYFBUDCTOAM-VGPBMWIQSA-N 364.533 2.750 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cncc(C(=O)N(C)C)c3)cc2)c1C 2325825010 ZDSABJHELKVSLU-UHFFFAOYSA-N 363.421 2.838 0 50 FFAA O=C(N[C@H]1CCN(C(=O)c2ccc(O)c(-c3ccccc3)c2)C1)C1CC1 2325873367 FKWOFZNVDFJXSN-KRWDZBQOSA-N 350.418 2.800 0 50 FFAA Cc1ccncc1C(=O)N1CC(N(C)C(=O)c2ccc3cccnc3c2)C1 2332239451 XXIWUQYHBRPTOP-UHFFFAOYSA-N 360.417 2.535 0 50 FFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(C(=O)OC)cc2)cc1 681149 SSZORLDOVBOVOB-UHFFFAOYSA-N 357.362 2.667 0 50 FFAA COc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 1133566 UGOBTRCYSNICEQ-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12 2556842 NWHURKYFYGKGRT-KRWDZBQOSA-N 355.415 2.814 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnn(Cc4ccccc4)c3)C[C@H]21 2356169323 PUDWHLHHRSHLNU-DSKINZAPSA-N 353.466 2.945 0 50 FFAA Cc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1C 2986973 MFCTYFWFAKLMJD-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1 4041116 YOLATPGKMIYFSE-QGZVFWFLSA-N 350.374 2.757 0 50 FFAA biogenic COc1cccc(NC(=O)CSc2nnnn2-c2cccc(C)c2)c1 4487951 WWXXNBCZFOFKKX-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA Cc1nnc(NC(=O)CCN2C(=O)c3cccc4cccc(c34)C2=O)s1 4818872 WPHXFIHDUPATDV-UHFFFAOYSA-N 366.402 2.625 0 50 FFAA O=C(COCc1cc(-c2ccco2)on1)N1CCN(c2ccccc2)CC1 6876666 DKNOTHWMHOQBST-UHFFFAOYSA-N 367.405 2.800 0 50 FFAA CC(C)CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@H]1CCO 104532062 GGAKYEOOYONSOH-QGZVFWFLSA-N 366.575 2.658 0 50 FFAA COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(Br)cc2C)CC1=O 8235038 VXPFRIFCBMHJOM-VXGBXAGGSA-N 369.259 2.579 0 50 FFAA CCCS(=O)(=O)c1ccccc1C(=O)NCC1(O)CCCCCC1 118698532 DLULKUYXSDPYRW-UHFFFAOYSA-N 353.484 2.685 0 50 FFAA COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3C(=O)OC)c(C)o2)cc1 55569041 GLPUUMUKAAHOIL-INIZCTEOSA-N 358.394 2.574 0 50 FFAA NCCC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67817997 GXSMUQAEQDKRPG-UHFFFAOYSA-N 369.446 2.739 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2cc(=O)c(O)co2)cc1 19741360 NBZDCKPCSUBMPM-UHFFFAOYSA-N 366.373 2.592 0 50 FFAA Cc1cccnc1C[C@H](C)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67880591 DUQVGPRFPHZUTF-HNNXBMFYSA-N 374.448 2.872 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCc1ccccc1 12587262 KQDLLIQKBLIXQL-FQEVSTJZSA-N 360.404 2.608 0 50 FFAA CCN(C[C@H]1CCN(C)C1)C(=O)c1coc(COc2ccc(F)cc2)n1 67956190 NSAHFZRPVLGAQG-AWEZNQCLSA-N 361.417 2.807 0 50 FFAA Cn1c(=O)oc2cc3c(cc21)[C@@H](c1cccc(Cn2cccn2)c1)CC(=O)N3 65410016 XODLFARXODAMFV-OAHLLOKOSA-N 374.400 2.850 0 50 FFAA CCc1c(C(=O)NCCc2nc(-c3cccnc3)n[nH]2)[nH]c2ccccc12 67885911 DJHZZODUUMAVEC-UHFFFAOYSA-N 360.421 2.883 0 50 FFAA C[C@@H]1CN(C(=O)NCC2([S@](C)=O)CCC2)C[C@@H](c2ccsc2)O1 281500915 JNBAUZUAZBTRPB-XTAIUZINSA-N 356.513 2.521 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc4nsnc4c3)CC2)cc1 72163966 HGBRLFKLJATPBS-UHFFFAOYSA-N 368.462 2.658 0 50 FFAA CCN1CCOC[C@H]1c1nc(-c2ccc(Oc3ncccn3)cc2)no1 360331883 BUNYETYYOOBYNE-HNNXBMFYSA-N 353.382 2.712 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)c1 77385253 ZWXQGPREBFJLIW-KRWDZBQOSA-N 357.454 2.679 0 50 FFAA C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2 363110105 FBQFCEQRMAVEKC-CYBMUJFWSA-N 365.393 2.556 0 50 FFAA CCCCc1nn(CC(=O)N(C)[C@H]2CCCc3ccccc32)c(=O)n1CC 77439624 FBFBTQNHRKPTLP-SFHVURJKSA-N 370.497 2.943 0 50 FFAA C[C@@H](C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccnc1 365721123 YPWDBSXJROTCSR-OAHLLOKOSA-N 352.438 2.998 0 50 FFAA CCn1ncc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c1C 39393672 ZSBRKVBJZUEAOZ-OAQYLSRUSA-N 356.514 2.589 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3snnc3CC)CC2)OC1=O 77471433 XROPEUAVFCWGDX-GFCCVEGCSA-N 366.487 2.716 0 50 FFAA Cn1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)c(-c2cccs2)n1 333237335 DGHCLJRRJSGXRG-QAPCUYQASA-N 374.510 2.507 0 50 FFAA COc1cccc(-c2nccn2Cc2nc3ccccc3c(=O)[nH]2)c1OC 71754540 WAFAXQROXODCQZ-UHFFFAOYSA-N 362.389 2.852 0 50 FFAA O=C(Cc1cn2ccsc2n1)N1CCC(C(=O)O)(c2ccccc2)CC1 238062746 LVFBNAGTDQDDRK-UHFFFAOYSA-N 369.446 2.583 0 50 FFAA CCc1noc(CN(C)Cc2ccc(OCC(=O)N3CCCCC3)cc2)n1 215814646 SJHSXKIMQUMBGP-UHFFFAOYSA-N 372.469 2.655 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(c4nccs4)C3)CCC2=O)cn1 77453370 UOYBIAWEMBQQJR-GOSISDBHSA-N 357.483 2.651 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[C@@](C)(C(=O)O)C1 263186917 SFKISTKQYIZIQB-APPDUMDISA-N 354.834 2.781 0 50 FFAA CCNC(=O)CN1CCN(Cc2cccc(-c3cccc(OC)c3)c2)CC1 72473312 OMVVBKFZRFAFSU-UHFFFAOYSA-N 367.493 2.616 0 50 FFAA CCc1c(C)nn(CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1C 220365493 VXTYGHAQEZAOSP-IBGZPJMESA-N 351.454 2.817 0 50 FFAA O=C(Cc1c(F)ccc(Cl)c1F)N[C@@H]1COCC[C@@H]1OCC1CC1 220353825 QQPVKGPLYIRAOA-CABCVRRESA-N 359.800 2.861 0 50 FFAA O=C(NC[C@@H]1C[C@H](F)CN1C(=O)CCOc1ccccc1)C1CCCC1 82138314 OEFBNZRFCDADSO-IRXDYDNUSA-N 362.445 2.701 0 50 FFAA COc1nccnc1-c1ccc(C(=O)N(C)Cc2nncn2C(C)C)cc1 426589874 ALSQEPJQJFOXRO-UHFFFAOYSA-N 366.425 2.597 0 50 FFAA O=C1CCC2(CCN(CCCn3ccnc3)CC2)CN1Cc1ccccn1 91908060 PDLUXLQOMSGJGP-UHFFFAOYSA-N 367.497 2.573 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccccc2-c2nc[nH]n2)cnn1-c1ccccn1 92028919 YJQZENFUCQKSFP-CYBMUJFWSA-N 373.420 2.852 0 50 FFAA CCC(=O)c1ccc(-c2cccc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)c2)cc1 426525830 GPUXTUSHOFRXDU-PMACEKPBSA-N 367.445 2.619 0 50 FFAA Cc1cc2[nH]c(CN3CCC[C@@H](COc4ccccc4F)C3)cc(=O)n2n1 334159691 NBDAUNGMNZVLJT-OAHLLOKOSA-N 370.428 2.761 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)[C@H](c1cccnc1)N1CCCC1 95380323 VCYIMUMEOANRDB-INIZCTEOSA-N 369.450 2.646 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1)n2C 97495193 ZJZLYPOKHHKENO-LJQANCHMSA-N 365.408 2.939 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2cc(F)cc3c2NC(=O)CC3)o1 96162730 IHSNTIOGCBWESE-UHFFFAOYSA-N 361.377 2.710 0 50 FFAA CN1CCc2nc[nH]c2C12CCN(Cc1cnc(CC3CCCC3)[nH]1)CC2 91820219 CFTGAVAABHZBSN-UHFFFAOYSA-N 368.529 2.845 0 50 FFAA O=C(NCCCn1ncc2ccccc21)c1cc(-c2ccc(O)cc2)n[nH]1 92077718 CVVHRZQLJPXRCM-UHFFFAOYSA-N 361.405 2.952 0 50 FFAA Cc1nc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)cs1 95384239 DPILXVFILDLHLA-HNNXBMFYSA-N 361.515 2.620 0 50 FFAA CS(=O)(=O)CC1(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 181225419 CWVUDHJXTIDABK-AWEZNQCLSA-N 363.401 2.987 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1Cl 245226729 JQXZJDFFNQQQHW-GMKMDLSASA-N 357.793 2.684 0 50 FFAA Cc1nc(CN(C)Cc2cc3c(cc2Br)OCCO3)no1 181707053 URSVVJUAACAKTG-UHFFFAOYSA-N 354.204 2.544 0 50 FFAA CN1CCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 248096025 DAGWTJCEQLEESV-MJGOQNOKSA-N 351.450 2.653 0 50 FFAA Cc1cc(CC(=O)NC[C@@H]2CCCN(c3ncnc4sccc34)C2)on1 827861865 XKYQOKZLAXQOOI-ZDUSSCGKSA-N 371.466 2.563 0 50 FFAA O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCC(c2cccc(O)c2)CC1 584899820 QZJOIUSZLHDUKJ-UHFFFAOYSA-N 369.347 2.618 0 50 FFAA Cc1c(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cccc1-c1nncn1C 827811830 YWHKUBAWAKBOQD-KRWDZBQOSA-N 361.405 2.604 0 50 FFAA COCCN1CCC[C@@H](CN(C)C(=O)NC2(c3ccccc3C)CC2)C1 584897937 RIRWZLWLIZNWNA-SFHVURJKSA-N 359.514 2.984 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)c2nncn2C(C)C)cc1Cl 670447850 AFKIBXJADULWNP-JTQLQIEISA-N 358.851 2.561 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c2ccc(F)cc2n1 952987858 HBEIZTVAOKDVMP-UHFFFAOYSA-N 366.396 2.609 0 50 FFAA COc1ccc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1CC(=O)O 170610382 HEOORCZZWODKAA-GORDUTHDSA-N 367.357 2.549 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280158306 UQAYNCATRJOHSM-UXTNIJRTSA-N 357.372 2.891 0 50 FFAA Cc1ccccc1C[C@@H](C)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 187583017 RUJLPLSTSGOFIG-MRXNPFEDSA-N 372.490 2.925 0 50 FFAA Oc1nc(CCNC2CCN(Cc3ccco3)CC2)nc2ccccc12 1506401495 FHZPAYPRVFVNAT-UHFFFAOYSA-N 352.438 2.725 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)CCN2CCCCC2=O)c1 1506405942 LZJUFDYBBLUKNO-UHFFFAOYSA-N 354.454 2.889 0 50 FFAA CCc1cc(NCc2cc(-c3ccco3)on2)nc(N2CCOCC2)n1 1529101667 KIATVLULBDNXDW-UHFFFAOYSA-N 355.398 2.736 0 50 FFAA O=C(Nc1ccccc1F)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 209868203 ZCGUPSXZXQTMBC-CJNGLKHVSA-N 358.369 2.937 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3[nH]cnc3C)CC1)OCC2 1704297146 GNPPBARVMJMUQI-UHFFFAOYSA-N 357.454 2.799 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(Cl)c(Cl)c3)C[C@H]2O)n[nH]1 1704350949 RNDAOPCDZXYSRG-MLGOLLRUSA-N 368.264 2.629 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CNCC1CCCCC1 11818283 NELVXWDGRKXDRA-FQEVSTJZSA-N 366.452 2.988 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)CCc1nnc(CCc2ccccc2)o1 11843721 NHIQKKNRKYPURY-MRXNPFEDSA-N 367.453 2.579 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12300391 JERSHIMECYCBJP-OAQYLSRUSA-N 369.553 2.932 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(CCCSC)C2)c1 12467891 XDSIHGYASVLNCM-HNNXBMFYSA-N 366.527 2.899 0 50 FFAA COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)cc1 13522045 ZGXQFVSVIIXYOA-MRXNPFEDSA-N 354.435 2.522 0 50 FFAA COc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccc(C)cc23)cc1 13598678 FBAKCAWTWFNZGA-UHFFFAOYSA-N 351.358 2.885 0 50 FFAA O=S(=O)(Cc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 16579357 SLEABJAOVSMUQT-UHFFFAOYSA-N 350.871 2.992 0 50 FFAA COc1cccc(CNCCN2CCOCC2)c1OCc1ccccc1F 19568261 OWDCSLZSFPHDFH-UHFFFAOYSA-N 374.456 2.835 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1 19924211 NZZXSXREDRDITH-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 168187102 PDQQQTPWRPKBAS-FVCCEPFGSA-N 354.200 2.574 0 50 FFAA COC(=O)c1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 780847 OARJOABNPKVZGL-QGZVFWFLSA-N 367.405 2.851 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 237627186 QIUWFQJVOJNFFO-WCQYABFASA-N 363.259 2.587 0 50 FFAA O=C(CCCc1nc(O)c2ccccc2n1)N1CCC[C@@H]2CNCCC[C@H]21 366835999 CSQABMZFMIEDNC-CRAIPNDOSA-N 368.481 2.649 0 50 FFAA COc1cc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)ccc1NC(C)=O 264691478 DAAHWHXKSKSHHO-ZDUSSCGKSA-N 357.414 2.788 0 50 FFAA COc1ccc([C@@H]2[C@H](COC(=O)c3ccn4ncnc4c3)CCN2C)cc1 1875277758 CQCOSSFDVYFURO-QFBILLFUSA-N 366.421 2.588 0 50 FFAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H]2C[C@@H](C(=O)O)CC[C@@H]2C1 1875304713 RNYUJUGUACISHI-FRRDWIJNSA-N 373.375 2.717 0 50 FFAA CSC[C@H](C)C(=O)NCc1cn(-c2cccc(C(F)(F)F)c2)nn1 1875354619 YOUSMQKGYJZWBJ-JTQLQIEISA-N 358.389 2.901 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1[nH]ccc1C1CC1 1875401670 OJKLBVOUTFVCGV-GOEBONIOSA-N 355.442 2.823 0 50 FFAA CCOc1cc(CC[C@H](C)NCc2nnn(C)c2C(F)F)ccc1O 2325775172 GGEGGLLJWHGPMD-NSHDSACASA-N 354.401 2.968 0 50 FFAA C[C@@H](NC[C@H]1CCC(=O)NC1=O)c1ccc(Cl)cc1Br 2325802185 NXORWTUKPPPXOJ-RKDXNWHRSA-N 359.651 2.806 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC34CC(C)(C)C4)C2)n[nH]1 2325842786 IMIBZUBKJYDDOY-KBPBESRZSA-N 358.486 2.690 0 50 FFAA O=C(CCC1CC1)N[C@@H]1CCCN(C(=O)Cc2cc(C3CC3)on2)CC1 2325867662 BMCKPGYQWRVRGW-MRXNPFEDSA-N 359.470 2.782 0 50 FFAA Cc1ncccc1C(=O)N1CC[C@H](NC(=O)c2ccc3cccnc3c2)C1 2325870758 NNVJHXRUWYMLJT-KRWDZBQOSA-N 360.417 2.583 0 50 FFAA O=C(N[C@H](Cc1csc2ccccc12)C(=O)O)c1ccn2ccnc2c1 2325876954 FTUOLNSXVMHFHG-OAHLLOKOSA-N 365.414 2.975 0 50 FFAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 730767 HAXSYHBGVKUBDQ-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CC(C)(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 811867 RQQDPAHXJUYILN-UHFFFAOYSA-N 374.872 2.581 0 50 FFAA CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc2ccccc2c1 814554 BBRKFDLRGFTKAP-UHFFFAOYSA-N 360.479 2.863 0 50 FFAA COc1cc(-c2ocnc2CC2CC2)ccc1OCC(=O)N1CCOCC1 2356141978 YNRMASHJJVWJLD-UHFFFAOYSA-N 372.421 2.540 0 50 FFAA CC1=CC2(CCN(C(=O)c3cc4ccccc4n(C)c3=O)CC2)OCC1 2356153850 XPCVUHABNJCZNC-UHFFFAOYSA-N 352.434 2.880 0 50 FFAA COc1ccccc1CCC(=O)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356165562 JIPSHDMFKDANTI-OAQYLSRUSA-N 356.466 2.774 0 50 FFAA O=C(NCc1ccco1)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2 4805674 NLVKEOOVTPNCKP-CYBMUJFWSA-N 360.435 2.877 0 50 FFAA O=C(Nc1ccccc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4867697 IEMCTVJKVVFAOU-AWEZNQCLSA-N 350.465 2.969 0 50 FFAA Cc1cc(-c2nnc(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)o2)no1 102100902 AMFKANIWEOLUNG-MGPQQGTHSA-N 354.410 2.684 0 50 FFAA CC1(C)Cc2occc2[C@@H](NCCCN2CCN(c3ncccn3)CC2)C1 133615239 IGCYUXHHXQPAPG-SFHVURJKSA-N 369.513 2.885 0 50 FFAA COc1ccc(OC)c(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)c1 9451557 XTZLTTAZBZJNRJ-LBPRGKRZSA-N 353.378 2.613 0 50 FFAA CCOc1ccccc1CN(CC)C(=O)c1ccc(-n2cnnc2)nc1 55073084 OMUBEWZSXSKLEQ-UHFFFAOYSA-N 351.410 2.723 0 50 FFAA CC(C)(C)c1cn(C[C@H]2CCCN(C(=O)C(=O)c3ccccc3)C2)nn1 63885021 ZPKCOPARYXISCR-HNNXBMFYSA-N 354.454 2.697 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)c1cn2c3c(cccc3c1=O)CC2 65382194 KQVLPCQWSNSXTP-UHFFFAOYSA-N 360.413 2.813 0 50 FFAA CN1CCC(n2ncc3c2NC(=O)C[C@H]3c2ccc(N(C)C)cc2)CC1 65383298 SEJLOOUJFGKESY-KRWDZBQOSA-N 353.470 2.690 0 50 FFAA Fc1cc(F)cc(-c2cn(C[C@@H]3CCCN(c4ncccn4)C3)nn2)c1 63872007 JGVQPWNOLMNKCC-CYBMUJFWSA-N 356.380 2.930 0 50 FFAA O=C(Cn1cnc(-c2ccccc2)n1)Nc1ccc(Br)nc1 119977781 FNFHKDBCJGHILE-UHFFFAOYSA-N 358.199 2.741 0 50 FFAA CCCn1ncc(-c2ccnc(NC[C@H]3CCCN(C(C)=O)C3)n2)c1C 63856507 XSPWLPQHESPFDK-MRXNPFEDSA-N 356.474 2.729 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)OCC3CC3)CC2)cc1 120409915 VWHFYEQIPKJDCA-HNNXBMFYSA-N 374.481 2.621 0 50 FFAA C[C@@H](Cc1ccncc1)NC(=O)CCc1nc(-c2ccccc2F)no1 65371271 JVDCXSIUBGSPJJ-ZDUSSCGKSA-N 354.385 2.951 0 50 FFAA CCO[C@H]1C[C@@](O)(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1(C)C 436994397 MPQKXNBTQVRALE-BLLLJJGKSA-N 362.253 2.995 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1 72425429 DEHZLUVJEOWHCX-SFHVURJKSA-N 358.482 2.617 0 50 FFAA Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)ccc1-n1cccn1 333257534 IGLLKQWSMVDREP-QUCCMNQESA-N 368.481 2.539 0 50 FFAA CC(C)c1cncnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 72447421 VXPDETVSGUKEGA-GOSISDBHSA-N 358.461 2.812 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)Cc3ccc4c(c3)OCO4)cc2)no1 219885215 HVNOFOURQHRFMD-UHFFFAOYSA-N 351.362 2.633 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CCO[C@@H](CN)C3)cc(C)c2c1 219314175 RGFUCJKUXSNNLO-HNNXBMFYSA-N 359.495 2.520 0 50 FFAA O=C(Cc1nc(CNc2ccc(Cl)cc2)n[nH]1)NCc1ccccc1 39962719 RONFZVOADMGPGH-UHFFFAOYSA-N 355.829 2.929 0 50 FFAA O=C1NCCN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)[C@H]1c1ccccc1 333519572 ZAEWAQBIYMSKEQ-WDSOQIARSA-N 367.424 2.954 0 50 FFAA Cc1ccc(CN2CCC3(CCC3)S(=O)(=O)CC2)c(-c2cnn(C)c2)c1 333934359 IKQGYPLEXLZFMZ-UHFFFAOYSA-N 373.522 2.939 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)CCC(=O)N1CCCCCC1)C2 67458491 MJZDTUGBSLSBFO-UHFFFAOYSA-N 358.486 2.700 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3cnc(C4CC4)nc3C)C2)CCC1=O 72435752 RFVGJFFAJJTKDU-FQEVSTJZSA-N 356.470 2.527 0 50 FFAA COC(=O)N[C@H](C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 77375746 WODKOCDFUQPNNA-CQSZACIVSA-N 370.453 2.836 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 79855429 UOEZMNHRTKGDFP-ZDUSSCGKSA-N 357.414 2.588 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(C(C)C)n(C)c1=O 215955961 HVFTYOWVUVLAKH-UHFFFAOYSA-N 360.458 2.753 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)CCn3cccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72168756 DZBLSVUMAYJAHL-KSEOMHKRSA-N 364.493 2.670 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 71751830 HXCBPSIGUZWNHI-AWEZNQCLSA-N 371.391 2.888 0 50 FFAA O=C(c1cccc([C@H]2CCNC2)c1)N1CCN(Cc2cccc(F)c2)CC1 72475924 NTQVJHYMELVTGS-FQEVSTJZSA-N 367.468 2.861 0 50 FFAA CC[C@H]1CN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 173612107 UHVAXTFEYOPGRG-HNNXBMFYSA-N 374.462 2.706 0 50 FFAA O=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)[C@H]1Cc2ccccc2O1 14991384 FQJXFPIWJNBTQA-IEBWSBKVSA-N 354.381 2.633 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCc3cc(C)nn3C)C2)c1 283842286 BAMZYFZJXHAXEA-KRWDZBQOSA-N 368.481 2.514 0 50 FFAA CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1NS(C)(=O)=O 241171067 KDYYKASTZGMLMR-OAHLLOKOSA-N 363.464 2.817 0 50 FFAA CC(C)Cc1cn(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)nn1 48135070 BUZLWTVJFPQNHK-UHFFFAOYSA-N 354.454 2.889 0 50 FFAA Cc1nc(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c(C)s1 220608778 KTKZUESWPXICSP-ALLBUHFWSA-N 372.490 2.866 0 50 FFAA CC(C)n1cc([C@]2(O)CCCN(Cc3cc(F)c(F)cc3F)C2)nn1 284923925 CRIWGFRDNJYNHV-KRWDZBQOSA-N 354.376 2.760 0 50 FFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CNC(=O)CC(C)(C)C 174927069 ZILZJMHXBACTKM-SFHVURJKSA-N 359.514 2.519 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1oc2c(c1C)C(=O)CCC2 263322084 JGMWFESEPGAEPN-UHFFFAOYSA-N 371.389 2.786 0 50 FFAA Cc1cccnc1N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 82092983 JNCCKLQWABXUOI-HXUWFJFHSA-N 364.493 2.528 0 50 FFAA COc1ccccc1-c1nc(CS(=O)(=O)C2CCOCC2)cs1 160099866 MPVNAKZKHIBAPJ-UHFFFAOYSA-N 353.465 2.913 0 50 FFAA Cc1ncsc1C(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 48488420 XPZVUEWFYRVWBN-UHFFFAOYSA-N 368.418 2.769 0 50 FFAA CSCCC(=O)N1CCCC[C@@H](NC(=O)NCc2ccc(C)cc2)C1 82115506 DKMKSOVZEDUNAO-QGZVFWFLSA-N 363.527 2.928 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n(C)n1 20606069 JYILZPBJKYPHIZ-UHFFFAOYSA-N 372.513 2.848 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 426685294 LWTKEMWZJPXOAZ-HNNXBMFYSA-N 358.442 2.545 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 97553233 QMXAMFBIGYJKHR-CYBMUJFWSA-N 356.430 2.525 0 50 FFAA CCn1ccc2c(CN3CCN(C)[C@]4(CCC(=O)N(C)CC4)C3)cccc21 91289488 WUSWTQVHVSGHIA-QFIPXVFZSA-N 368.525 2.790 0 50 FFAA O=c1[nH]cc(-c2nc(Cc3cccc(Cl)c3)nn2CCO)cc1Cl 96150258 GCWPQMBLZRAPMQ-UHFFFAOYSA-N 365.220 2.523 0 50 FFAA O=C1CC2(CCN([C@H]3CCCNC3)CC2)CN1Cc1cc(F)cc(F)c1 91656570 BYIOXASDQMNAQW-SFHVURJKSA-N 363.452 2.531 0 50 FFAA CC(C)CCOc1ccc(CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1 91645051 IAMXDPKXAVGNGH-QGZVFWFLSA-N 361.486 2.561 0 50 FFAA Cc1ncsc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95380820 AVGJSFLJOBNSRO-OAHLLOKOSA-N 355.463 2.730 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4cn5cccnc5n4)CC3)nc12 91746947 RIZOKZNBMWQEIL-UHFFFAOYSA-N 360.421 2.934 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C1)OCc1ccccc1 97137295 OLGSISOWPKLMNS-QGZVFWFLSA-N 368.389 2.526 0 50 FFAA O=C(Nc1cccc2[nH]nnc12)N[C@@H]1CCCN(Cc2ccc(F)cc2)C1 97717022 LBFJYBABFYZFLU-OAHLLOKOSA-N 368.416 2.883 0 50 FFAA CCc1cccc(CC)c1NC(=O)CCN1CCC(N2CCOCC2)CC1 244831512 UFCXLERBMAXGIQ-UHFFFAOYSA-N 373.541 2.937 0 50 FFAA CN(C)CCOc1cccc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)c1 244633528 GELBABXWJJPZKA-QFIPXVFZSA-N 368.477 2.855 0 50 FFAA O=C(CCN1CCN([C@@H]2CCc3ccccc3C2)CC1)Nc1nccs1 244899368 ZIQMZLYPYDNTCM-GOSISDBHSA-N 370.522 2.647 0 50 FFAA O=C(CCN1CCCC2(CCOCC2)C1)Nc1ccsc1C(=O)O 244858585 VNWZUSHGKZNWIM-UHFFFAOYSA-N 352.456 2.668 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2c1 244900066 ZVLGSROPPPTNBS-NJSLBKSFSA-N 351.406 2.814 0 50 FFAA C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)n1cnc2ccccc21 298389177 CHHVELDRASDZLC-HNNXBMFYSA-N 350.422 2.652 0 50 FFAA Cc1ccc(N2CC[C@@H](C(=O)N(C)Cc3cc(C(=O)O)c(C)o3)C2=O)cc1 299747021 BWBNKRJEJNCVHU-INIZCTEOSA-N 370.405 2.606 0 50 FFAA C[C@@H](CNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1)N1CCCC1 534581163 IZIRJOPDQAZXFC-INIZCTEOSA-N 365.477 2.596 0 50 FFAA C[C@H](O)c1cccc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)n1 534646481 ZGVRQHBRNSQOQG-HNNXBMFYSA-N 350.422 2.819 0 50 FFAA CC(C)Cn1cncc1CNC(=O)c1cnc(N)nc1-c1ccccc1 821501993 AQIGYIWQKQGZCP-UHFFFAOYSA-N 350.426 2.508 0 50 FFAA C[C@H](c1nc(-c2ccc(F)cc2)nn1-c1ccncc1)N1CCOCC1 670471147 JCQVTCNEMCYWTJ-CQSZACIVSA-N 353.401 2.862 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)/C=C/c2cc(CO)cs2)cc1 952986395 HNCQYNCTMRLHMZ-VOTSOKGWSA-N 369.446 2.969 0 50 FFAA CC1(C)Cc2cccc(CN[C@@H]3CCCN(c4nccnc4O)C3)c2O1 275707261 YAMJPWIDKLVGHE-MRXNPFEDSA-N 354.454 2.654 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 276411928 KXSLIDIQFZMCQC-INIZCTEOSA-N 359.518 2.698 0 50 FFAA CN(Cc1ccc([S@](C)=O)cc1)C1CCN(C(=O)c2ccco2)CC1 170602802 QNFHEDFNAVXSLX-VWLOTQADSA-N 360.479 2.754 0 50 FFAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N(C)[C@H](C)c1ccco1 195342470 SZRGDWAPVXSARZ-CQSZACIVSA-N 366.421 2.886 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)[C@@H](O)c3ccc(Cl)cc3)[nH]c2c1 1506403426 OQIWXWARKWSQHY-SFHVURJKSA-N 373.840 2.959 0 50 FFAA CCC1(C)CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529178870 SBYUKIXWKCQUIB-SJORKVTESA-N 364.873 2.935 0 50 FFAA Cc1cccc(Cc2nnc(NC(=O)c3cc4ncccn4n3)s2)c1 1529181676 UQVFBSXOWKKHAP-UHFFFAOYSA-N 350.407 2.732 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529178469 MKAPTYYKMFHTAO-DYESRHJHSA-N 363.461 2.948 0 50 FFAA O[C@@H]1C[C@@H]2CN(Cc3ccccc3OCCCCn3ccnc3)C[C@@H]2C1 1800411085 FBASCJSDPRJTBM-ACDBMABISA-N 355.482 2.945 0 50 FFAA CO[C@@H]1C[C@H](C(=O)N(C)CCOc2ccc(C)cc2Cl)CC[C@@H]1O 1704307770 KOFWEKDMWHEPEJ-UKPHBRMFSA-N 355.862 2.662 0 50 FFAA COCc1ccc(C(=O)N2CCO[C@H](Cc3ccc(OC)cc3)C2)s1 12297735 HZNHAAGUOSWVLH-MRXNPFEDSA-N 361.463 2.987 0 50 FFAA COC(=O)c1ccccc1SCC(=O)N1CC(=O)Nc2ccccc21 12417880 HPNVZKTZLBLMCE-UHFFFAOYSA-N 356.403 2.551 0 50 FFAA O=C(N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1cccs1 19316241 IIFFDZWFGUEOLB-KWQFWETISA-N 357.690 2.943 0 50 FFAA CCc1cc(=O)n(CC(=O)NCc2cccs2)c(-c2ccccc2)n1 169752741 XCSJRJBMAQANFN-UHFFFAOYSA-N 353.447 2.851 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)s1 169778193 GZFNBCQMIFHGMP-LBPRGKRZSA-N 370.438 2.663 0 50 FFAA CC[C@]12COC(=O)N1CCN(c1ncnc(Oc3cccnc3C)c1C)C2 1857688502 NDYKYGUWQJPGGR-IBGZPJMESA-N 369.425 2.702 0 50 FFAA c1cc(-c2nccn2CCc2noc([C@@H]3CCCO3)n2)n2nccc2c1 1857709450 YGALGJRLUCNGHZ-HNNXBMFYSA-N 350.382 2.675 0 50 FFAA Cc1ccc(Br)c(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c1 332233187 PUUPQYRJHGNJQI-GFCCVEGCSA-N 374.300 2.797 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 1875243343 CLKKBFMJGUGLCZ-PMACEKPBSA-N 368.433 2.559 0 50 FFAA Cc1ncc2c(c1-c1noc([C@@]34CC[C@@](C)([C@H](O)C3)C4(C)C)n1)CCNC2 212471024 QFNGELVSSHJOIK-GQWLDOHISA-N 368.481 2.914 0 50 FFAA CCn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)cn1 216292256 CFZJTALALFFZOD-UZLBHIALSA-N 364.493 2.607 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 247774311 WOSMUAYBFHXIFE-MSQAHXEGSA-N 354.809 2.882 0 50 FFAA CC(C)n1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 264623219 OSBSJHAUKXGFAA-QGZVFWFLSA-N 354.454 2.743 0 50 FFAA O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H]1CCCC[C@H]1C(F)(F)F 265474420 QEMCUXZSJIYZGL-BFHYXJOUSA-N 356.392 2.930 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccn3C3CC3)C1)CC2 1704298731 CVUDOFFDDZTPKI-NRFANRHFSA-N 365.481 2.799 0 50 FFAA O=C(N[C@H]1CCNC1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 911698768 JUUUYLNMAYVGKA-LBPRGKRZSA-N 372.778 2.695 0 50 FFAA Cc1nc2ccccn2c1CN1CCN(c2cccc3nc(O)[nH]c23)CC1 932515067 ZWHIVEIQUCJTGP-UHFFFAOYSA-N 362.437 2.547 0 50 FFAA C[C@H](NC(=O)N=c1cc2n([nH]1)CCOC2)c1ccc(C(F)(F)F)cc1 1875296618 GFHUGMCCDSDDRZ-JTQLQIEISA-N 354.332 2.737 0 50 FFAA COc1ccc([C@H]2CCN(C(=O)c3ccnc(N4CC[C@H](C)C4)c3)C2)cn1 1875265701 YEXLPAKRLKLRLG-YJBOKZPZSA-N 366.465 2.961 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2ccn(CCc3ccccc3)n2)cc1 1875328138 ALKYGTKBZKMGSV-UHFFFAOYSA-N 369.446 2.553 0 50 FFAA O=C(c1cnsc1)N1CC2(CC2)C[C@@H]1CNC(=O)C1(C2CCC2)CC1 1875408292 SFJUTNRQCRWYST-OAHLLOKOSA-N 359.495 2.834 0 50 FFAA Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3Nc3ncccn3)CC2)cc1 888103662 RVTNRANFIGWQQU-MOPGFXCFSA-N 366.465 2.907 0 50 FFAA Cc1ncn(CCNC(=O)c2ccc(=O)n(-c3cccc(Cl)c3)c2)c1C 2325858650 WAFIYJQNWSLZOY-UHFFFAOYSA-N 370.840 2.734 0 50 FFAA COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C 779252 ZOLCNKPBCBLPHS-UHFFFAOYSA-N 369.450 2.925 0 50 FFAA COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 827590 JFUVSUWMLCNVKE-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(c2noc(C3CC3)n2)CC[C@H]1O 2356169658 GLCPSVMWXISHSC-OXQOHEQNSA-N 371.437 2.612 0 50 FFAA C[C@@]1(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)CCC(=O)O1 4338984 DGVKDPWJSNYMPF-HNNXBMFYSA-N 351.815 2.882 0 50 FFAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)NCc3ccco3)CC2)[C@H]1O 20683453 BQNSFPHQFDPGEB-MOPGFXCFSA-N 369.465 2.500 0 50 FFAA O=C1NCCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)[C@H]1c1ccccc1 246778523 ZEWJCQANHMKNTN-WCIQWLHISA-N 361.445 2.598 0 50 FFAA OCC[C@@H]1CN(c2nc3ccccc3o2)CCN1CCc1ccccc1 107000006 JUKQTFMKQPPDTR-GOSISDBHSA-N 351.450 2.944 0 50 FFAA COc1cccc([C@@H](O)CN2CCC(c3nnc4ccccn34)CC2)c1 115532661 JDLIQPACYWJWDW-SFHVURJKSA-N 352.438 2.651 0 50 FFAA CO[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 105117593 APDHEXOZIKRKSN-SQGPQFPESA-N 356.374 2.830 0 50 FFAA COC[C@@H](NC(=O)CCC(=O)Nc1cc(C)ccc1F)c1ccccn1 55271134 RUHXEIYQTPWKEZ-QGZVFWFLSA-N 359.401 2.752 0 50 FFAA Cc1nc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccs3)cn2n1 281080302 CMXMABYPIXTVSJ-CQSZACIVSA-N 369.450 2.733 0 50 FFAA CCOc1cc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)ccc1OC 10337778 JTXPFRDLSSVAPC-UHFFFAOYSA-N 371.372 2.525 0 50 FFAA CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)CC1 68245534 NYDGEZQQIMDHCY-QGZVFWFLSA-N 373.497 2.810 0 50 FFAA in-vitro Cc1ccc(C)c(-c2n[nH]cc2CN2CCn3nc(C(=O)O)cc3C2)c1 67804748 LDWCPSNWIGMHHW-UHFFFAOYSA-N 351.410 2.604 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(N2CCC(NC[C@H]3CCCO3)CC2)cc1 20536508 WOEOWTNESLYUGG-OXJNMPFZSA-N 357.498 2.939 0 50 FFAA O=C(NCCC(=O)N1CCOc2ccccc21)N1CCc2ccccc2C1 118312568 WNGPMDZIALUKIP-UHFFFAOYSA-N 365.433 2.570 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 125937580 AFBYGBLURIMBBW-QUCCMNQESA-N 366.461 2.840 0 50 FFAA CCCCOc1ccc(OCCOCCN2CCN(CC)CC2)cc1 20389874 CRHNMUVLVXHOOE-UHFFFAOYSA-N 350.503 2.898 0 50 FFAA CNc1ncc(CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)cn1 67966034 YALYIFFSZKPBGP-UHFFFAOYSA-N 359.437 2.860 0 50 FFAA O=C1CCCN1C[C@@H]1CCCN(Cc2cc(F)ccc2-n2cccn2)C1 65396100 QDDNWWHIRXFAIK-MRXNPFEDSA-N 356.445 2.846 0 50 FFAA O=C1CC2(CCN(C(=O)CCC(=O)c3cccc4ccccc34)CC2)CN1 65509135 LTPCUYXJWSADRJ-UHFFFAOYSA-N 364.445 2.931 0 50 FFAA CN(Cc1nsc(N(C)C)n1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328631529 KNXIQPIKJHYHQB-STQMWFEESA-N 369.535 2.710 0 50 FFAA COc1ccc2[nH]c(=O)c(CN3CCC[C@H](c4nccn4C)C3)cc2c1 215804450 NWQVLNLAIAUJTB-AWEZNQCLSA-N 352.438 2.650 0 50 FFAA CC[C@@H](COC)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328607188 VFNQJHJWORHAHM-GZRFBZBPSA-N 374.460 2.545 0 50 FFAA CCOc1cc(CN2CCC(O)(CN(C)C)CC2)c(Cl)cc1OC 215356327 XDHCWMHKMAFBPR-UHFFFAOYSA-N 356.894 2.636 0 50 FFAA Cc1cncc(CNC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 124424276 ANALWJYCUHJVKD-UHFFFAOYSA-N 365.477 2.878 0 50 FFAA CC(C)NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72131884 YLHVOOMOTPYNTI-HXUWFJFHSA-N 365.477 2.569 0 50 FFAA C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCN(CC2CCCCC2)CC1 363197304 KTLWLCLJHRUIOH-OAHLLOKOSA-N 361.486 2.559 0 50 FFAA Cc1cc(CN2CCC(N3CCNC3=O)CC2)cc(C)c1OC(F)F 127606147 NSNSOJGTVIGVDO-UHFFFAOYSA-N 353.413 2.894 0 50 FFAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 365140941 XTIFGFGWHZDKFF-KGLIPLIRSA-N 368.437 2.585 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc(Cc2ccccc2)no1)c1ccccc1 14987132 AHUQYMOKIOGUDH-SFHVURJKSA-N 350.374 2.910 0 50 FFAA O=C1CCc2cc(F)c(NC(=O)N3CCOC[C@H](C4CCC4)C3)cc2N1 366610622 IZIWNKKCTFGWDE-CQSZACIVSA-N 361.417 2.991 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 237653326 AXZWIEGMSNYULC-FQEVSTJZSA-N 355.365 2.994 0 50 FFAA CCCn1nccc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@@H](CC)C1 71759339 NVKQMRVPDYOZBH-SFHVURJKSA-N 368.481 2.946 0 50 FFAA CN(C)c1ncc(CN2CCCN(CCCc3ccccc3)CC2)cn1 72157896 MFRUKTQOEOIOAO-UHFFFAOYSA-N 353.514 2.683 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 238020888 SKAYXALSMLAHFA-CQSZACIVSA-N 354.410 2.937 0 50 FFAA Cc1cc(C(=O)NCc2nc(Cc3cccs3)no2)c2c(C)noc2n1 216396904 OEGZVWBLJUUTLX-UHFFFAOYSA-N 369.406 2.805 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72418530 FDJHFYCLAKVPRT-PDRSHUBSSA-N 356.514 2.632 0 50 FFAA CC(=O)c1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n(C)c1 173705661 LEHKIAGIXIKDJV-LJQANCHMSA-N 353.466 2.964 0 50 FFAA CCn1c(C)cc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)c1C 285100054 GHJZRKSRXXZOSZ-CJNGLKHVSA-N 358.442 2.987 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)Cn2nc3ccccc3n2)cc1 221271813 RBMPFUBDLRZTDP-FQEVSTJZSA-N 363.465 2.857 0 50 FFAA CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NC2CC2)C1 44803879 QJKHPYUGKWVCFY-CQSZACIVSA-N 354.454 2.914 0 50 FFAA CN(C)c1ncccc1CNC(=O)NC1CCN(C2CCCCC2)CC1 177364632 SPRNCQUBFNOMMT-UHFFFAOYSA-N 359.518 2.744 0 50 FFAA Cc1cc(C)n(-c2ccc(CNc3ncnc4c3ncn4C3CC3)cn2)n1 292578503 ZFPHVAXEQNROKU-UHFFFAOYSA-N 360.425 2.971 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCN(C3CCCCC3)CC2)cc1OC 95390075 HSETXPUPDKKMRQ-IBGZPJMESA-N 362.470 2.780 0 50 FFAA Cc1cnccc1-c1ccc(C(=O)NCC[C@@H](C)N2CCN(C)CC2)cc1 426712536 ABRQVAIKBVXEFY-GOSISDBHSA-N 366.509 2.813 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c(=O)[nH]c1C 91410632 RDHMZJSTAVQSDW-KRWDZBQOSA-N 350.422 2.856 0 50 FFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239402769 RCRAITACSFJJLA-WHRSFKOUSA-N 370.836 2.720 0 50 FFAA CN(CC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1)c1ccccc1 91645695 UJLOBLMIWJXNIW-UHFFFAOYSA-N 369.509 2.764 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ncc(F)cc3F)CC2)CN1CC1CC1 91997997 PCBQXHORAHHFBL-UHFFFAOYSA-N 363.408 2.615 0 50 FFAA CCOCCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91690736 XWSMQIMEKCQTJI-RMKNXTFCSA-N 370.493 2.968 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(C)cc2)C1 91650067 DLYOIHFOMUZTLI-GOSISDBHSA-N 368.481 2.738 0 50 FFAA CC[C@@H](C)Oc1cc(CNS(=O)(=O)c2cn(C(C)C)cn2)ccn1 180191184 IFXMPWUQWUPQMK-CYBMUJFWSA-N 352.460 2.515 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)Cc3c(F)ccc(Cl)c3F)C2)C1=O 92107243 MEIYTIHDGSWHEV-KRWDZBQOSA-N 356.800 2.632 0 50 FFAA Cc1cc(-c2ccccc2)nc(CN2CCC3(CC2)OCCC[C@H]3O)n1 95383362 CUPVVOLPDYNQAZ-LJQANCHMSA-N 353.466 2.958 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(C(C)C)n2ncnc2n1 91914931 DLGMOGIJGNRJGA-UHFFFAOYSA-N 369.429 2.561 0 50 FFAA CN(Cc1cc2ccccc2s1)C(=O)c1cnn2cc(CCO)cnc12 97213101 OHCQRPFKVONNKB-UHFFFAOYSA-N 366.446 2.751 0 50 FFAA Cc1noc(CC2CCN(C(=O)C3CCN(Cc4ccco4)CC3)CC2)n1 95365223 IVDLSUVBBMVZRH-UHFFFAOYSA-N 372.469 2.664 0 50 FFAA C[C@H](C(=O)N1CCc2[nH]nc(C3CCC3)c2C1)n1c(=O)oc2ccccc21 23505885 YJRVJCGZYWBEJO-GFCCVEGCSA-N 366.421 2.731 0 50 FFAA O=C(NCCc1cn2ccsc2n1)c1ccc([C@@H]2CCCNC2)cc1 95369960 FUVZXSOCGFYYLZ-MRXNPFEDSA-N 354.479 2.835 0 50 FFAA CC(C)N1CCC(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 244626785 FSVDZPXLHARCLN-SVFBPWRDSA-N 372.509 2.670 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2cccc(Cl)c2)[C@H]2C[C@H](O)C2)cn1 252536482 IRQOUSNNJWDPFE-IDHHARJASA-N 360.841 2.915 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCCN(C(C)C)C1 299354993 HNGMQKKYVOAGGY-CQSZACIVSA-N 359.499 2.759 0 50 FFAA Cc1ccc([C@H](CCO)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 534661960 JSQPJDUAAXTFMO-INIZCTEOSA-N 369.421 2.595 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCc2nc(Cc3ccccc3)no2)C1 534665977 RCJZBNCVRNZPQU-MRXNPFEDSA-N 358.442 2.761 0 50 FFAA O=C(NC[C@H]1CCN(C2CC2)C1)N1CCN(c2ccc(Cl)cc2)CC1 534575998 FOTKSVYXBLTHSQ-OAHLLOKOSA-N 362.905 2.656 0 50 FFAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cncnc1O 299785382 YMCRIIIMKLLWKT-IBGZPJMESA-N 350.422 2.988 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1c[nH]nc1C1CCCCC1)C2 299802952 YZUZBYFWDVVCFN-UHFFFAOYSA-N 370.501 2.696 0 50 FFAA Cc1cc(=O)oc2cc(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)ccc12 299779221 DQAMBLWCMFBCRF-INIZCTEOSA-N 373.453 2.676 0 50 FFAA Clc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299791002 CCYVWDYWUNUEDB-UHFFFAOYSA-N 354.845 2.954 0 50 FFAA Cc1cc(-c2cccc(C(=O)N(C)C[C@H](O)CO)c2)c(Cl)cc1F 584884698 VBHQNRZSJJEQJT-AWEZNQCLSA-N 351.805 2.880 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(Cc4[nH]cnc4C)CC[C@@H]32)o1 1565506119 VOXMYJXNDPUEJT-APWZRJJASA-N 356.470 2.675 0 50 FFAA Cc1cc2cc(C(=O)N[C@H]3CCN(Cc4cccnc4)C[C@@H]3O)ccc2o1 1565515075 RSLLDUZELCRHEU-OALUTQOASA-N 365.433 2.501 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1ccc(=O)n(C)c1 952966263 DDEBBUQKFUCIOQ-UHFFFAOYSA-N 353.447 2.993 0 50 FFAA O=C(Nc1cc(F)c(F)c(F)c1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888103718 VRKHNBDPOSNFFQ-MNOVXSKESA-N 363.339 2.917 0 50 FFAA CS[C@H](C)CNC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275537012 GLZLKHNDTKYYJU-HUUCEWRRSA-N 364.515 2.596 0 50 FFAA CC[C@@]1(CO)CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1 187162168 IHPJMFXYJWIIGS-HXUWFJFHSA-N 356.470 2.779 0 50 FFAA CC[C@@]1(C)CN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)CCO1 188204128 SNOOOXGWLMCWTD-HNNXBMFYSA-N 361.364 2.690 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N1CCO[C@@H](CCc2ccccc2)C1 188443010 ICIOPLCZHRYECH-KRWDZBQOSA-N 353.466 2.691 0 50 FFAA COc1c(F)ccc(C(=O)N2CCCN(Cc3ccoc3)CC2)c1F 1529100693 WEGHZXYDFFQVRK-UHFFFAOYSA-N 350.365 2.915 0 50 FFAA COCCN1CCC[C@@H](CN(C)c2noc(-c3ccccc3)c2C(=O)O)C1 1704335766 GDSJYNZNBGCKSY-HNNXBMFYSA-N 373.453 2.834 0 50 FFAA COc1cc(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)ccc1O 211281441 VPDTVYMLSIEZLK-UTKZUKDTSA-N 355.434 2.857 0 50 FFAA CC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(C(F)(F)F)C1 820274 JNYGDGHCLQSDSV-NSHDSACASA-N 351.122 2.922 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cc(C)n(C)c3C)C[C@@H]2C(=O)O)c1 222110553 UJNUYXPFMLWHQO-MSOLQXFVSA-N 356.422 2.591 0 50 FFAA Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncnc(N3CCN(C)CC3)c12 11910367 RSIXXQLVGCRFBT-CYBMUJFWSA-N 373.526 2.766 0 50 FFAA CC(C)NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@H](C)C2)c1=O 14989749 XOHSHEAZJXJXJF-HNNXBMFYSA-N 373.497 2.974 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 15068141 VTZPUZPFXGKHTG-QGZVFWFLSA-N 358.482 2.925 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)Cc3cccnc3)nc2)C1 19792937 OIACGDJFGGYUNZ-KRWDZBQOSA-N 354.454 2.612 0 50 FFAA CCOC(=O)N1CCN(C[C@@H](O)COc2ccc(C(C)C)c(C)c2)CC1 19809508 HNFGATSHMPMWCN-QGZVFWFLSA-N 364.486 2.632 0 50 FFAA COc1ccc(-c2ccc3c(O)nc(=O)n(Cc4ccco4)c3n2)c(O)c1 1857526759 XBUNXTTVAQBHGL-UHFFFAOYSA-N 365.345 2.520 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(O)cc2Cl)cn1 1857677539 HBLINXQXHJWTQF-UHFFFAOYSA-N 359.817 2.621 0 50 FFAA Fc1cccc(-c2n[nH]cc2CN2CC[C@]3(C2)CN(CC2CC2)CCO3)c1 1857695072 SHFYEEBSYFKIJD-NRFANRHFSA-N 370.472 2.903 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@]23CC[C@H]1O3 1857709430 XGXATCFIJDEWSM-AAJLLMFJSA-N 368.399 2.887 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCOc1ccc(Cl)cc1)C[C@@H]2O 1857724057 KBAVZXUVVMVFIL-PLACYPQZSA-N 373.880 2.788 0 50 FFAA COc1cc(C)c(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1C 1857740412 IDRTTYBBFORQIW-DSKINZAPSA-N 358.482 2.870 0 50 FFAA Cc1ccc(CNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)cc1 225797579 CAIWGLXKTLKZFH-LJQANCHMSA-N 368.481 2.642 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237635295 YCWCHNQTQGJEBJ-WCBMZHEXSA-N 356.797 2.859 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)NC1CCC(O)CC1 242191326 XEPRQHMGOOKQTI-SGZDXZSOSA-N 359.514 2.842 0 50 FFAA Cc1nnc2ccc(-c3noc(-c4cc5ccccc5c(=O)n4C)n3)cn12 350278873 VURAXDSKMSJCCC-UHFFFAOYSA-N 358.361 2.607 0 50 FFAA C[C@H](CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)C1CCCCC1 252510497 ZMBUKZLIAFVCFR-OAHLLOKOSA-N 367.511 2.675 0 50 FFAA CCn1cc(Cc2nc(-c3cccc(CN4CCCC4=O)c3)no2)cn1 809407641 IQWZSOPORWHGTL-UHFFFAOYSA-N 351.410 2.666 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2cc3ccccc3nc2C)CC1 853704732 XLCQBKRBIPFMTH-OAHLLOKOSA-N 371.437 2.611 0 50 FFAA C[C@@H](c1ccccc1F)S(=O)(=O)NC(=O)C[C@@H]1OCc2ccccc21 873564330 QRCGTXHWLICXII-SJCJKPOMSA-N 363.410 2.994 0 50 FFAA O=C(O)c1cnc([C@H]2CCCN(C(=O)[C@@H]3[C@@H]4CCC(F)(F)[C@@H]43)C2)s1 1875311192 PLSXJGKJWGXLOO-XPXLGCRWSA-N 356.394 2.839 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1N=c1cc[nH]cc1F 1875398466 RHOVQHFEDHUDLP-GDIGMMSISA-N 352.413 2.758 0 50 FFAA Cc1nc2c([nH]1)[C@H](C(=O)NCCCn1ccc3ccccc3c1=O)CCC2 2325806488 ZSCSTWDNDRLYHY-QGZVFWFLSA-N 364.449 2.659 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)C1 2325889146 BJGYPRHWASDORA-QWHCGFSZSA-N 368.886 2.726 0 50 FFAA CC(C)(C)NC[C@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 1542905 BHIAIPWSVYSKJS-VIFPVBQESA-N 371.553 2.812 0 50 FFAA investigational CC(C)N1CCC[C@]2(CCCN2C(=O)Cc2cc(F)ccc2F)C1=O 2356132751 QPUBGTFIXRBVAE-IBGZPJMESA-N 350.409 2.899 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 2356156459 COFPMIUJXSPNJC-GOSISDBHSA-N 367.873 2.950 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)CCc2cc(Cl)no2)C1=O 2356162822 LNWXLTUGJADUSV-KRWDZBQOSA-N 353.850 2.654 0 50 FFAA O=C1N(Cc2ccccn2)CCC[C@@]12CCCN2Cc1nccn1C1CC1 2356168651 MCPVASUFTHMIDR-OAQYLSRUSA-N 365.481 2.770 0 50 FFAA COc1ccc(-c2nc3c4c(C)c(C)n(CCN(C)C)c4ncn3n2)cc1 6719572 GUMAMHFKCHLMEW-UHFFFAOYSA-N 364.453 2.933 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 8477109 VVAHGNGGKLEKHB-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA CN(C)C[C@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1 225471099 UQNSQXKARCEHBF-NRFANRHFSA-N 362.477 2.876 0 50 FFAA O=C(Nc1ccccc1-c1ccncc1)N1CCN(c2ncccn2)CC1 111777234 WENLKETXTCYBHH-UHFFFAOYSA-N 360.421 2.893 0 50 FFAA NC(=O)CCn1cc(CNCCCc2ccccc2O)c2ccccc21 55414977 MUWFGRSYHUGONF-UHFFFAOYSA-N 351.450 2.945 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)C(C)C)CC1 26797293 OFYWBGRQNKBZDA-KRWDZBQOSA-N 352.500 2.562 0 50 FFAA CC(C)C[C@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ncnn1C 65394614 FWUIZGNZZAUDCE-SFHVURJKSA-N 355.486 2.797 0 50 FFAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)NC[C@@H]1CC[C@@H](O)C1 248909032 MNBRFFVZJXLARV-ZTFGCOKTSA-N 365.905 2.937 0 50 FFAA CS(=O)(=O)NCc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 118048418 RSOYXSAGBSGXGZ-GOSISDBHSA-N 373.478 2.935 0 50 FFAA NCCC(=O)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67688365 XFIYHPDNZCRLNY-UHFFFAOYSA-N 360.461 2.823 0 50 FFAA O=S(=O)(Nc1ccc2ncccc2c1)c1cnn(C2CCOCC2)c1 135923283 XYUVIILMNPNXHK-UHFFFAOYSA-N 358.423 2.584 0 50 FFAA O=C1O[C@@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2N1CCc1ccccn1 20998279 ISRXHZNCCVGRPH-VQTJNVASSA-N 362.433 2.811 0 50 FFAA CC1=C(C(=O)O[C@H](C)c2ccoc2)C=C[C@]2(C)[C@H]1[C@H]1C=C[C@]2(O)C(=O)O1 25540744 QIINWPYOPMCLOJ-UYHGPSCNSA-N 356.374 2.619 0 50 FFAA O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCC[C@@H]1CCn1cccn1 67725517 YGJUBFLPOAOVCQ-QGZVFWFLSA-N 350.426 2.753 0 50 FFAA CNC(=O)CNc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 67934224 CGGBFPKWEUXQJN-KRWDZBQOSA-N 366.465 2.649 0 50 FFAA O=C(c1csc(-c2cccs2)n1)N1CCN(c2cnccn2)CC1 25343169 YSUMZSXNKCWWEU-UHFFFAOYSA-N 357.464 2.624 0 50 FFAA CCOc1cc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)cc(Cl)c1OC 230090691 XEUXCDKBNJSBGC-HUUCEWRRSA-N 352.862 2.990 0 50 FFAA Cc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)n1 328608558 ZPIBRCIEHNIEPC-HOCLYGCPSA-N 367.494 2.620 0 50 FFAA CC(=O)c1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCC=C(C)C)cc1 219036443 SWBLHHINQQFANN-RTBURBONSA-N 361.438 2.525 0 50 FFAA CCCc1ncncc1C(=O)N1CCN(c2ccccc2OCC)CC1 215612054 UNBAPUVULQZEOJ-UHFFFAOYSA-N 354.454 2.790 0 50 FFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC([C@]2(C)N=C(O)N=C2O)CC1 329824205 HTERHMLJGDZCCF-MUKKUYKPSA-N 365.474 2.853 0 50 FFAA O=S(=O)(NCc1ccccc1)NC[C@H](c1ccccc1)N1CCCCC1 71759964 IVGLHHTUWQRGKO-HXUWFJFHSA-N 373.522 2.838 0 50 FFAA C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(F)ccc1-c1ccoc1 365318687 WWTQRGUEHBPXIX-LBPRGKRZSA-N 351.399 2.735 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c1 156504367 BDKUMVSVUGAECU-KRWDZBQOSA-N 355.438 2.625 0 50 FFAA CN(C)Cc1c(C(=O)N[C@@H]2COc3ccccc3C2=O)oc2ccccc12 128929595 UTSPLHCVXQLFTH-MRXNPFEDSA-N 364.401 2.868 0 50 FFAA CN(C)C(=O)c1cccc(CN2CCC[C@](CO)(c3ccccc3)C2)c1 374538901 STKFIOMCGHDGOC-QFIPXVFZSA-N 352.478 2.915 0 50 FFAA O[C@H]1[C@H](n2cc(-c3cccc(F)c3)nn2)c2ccccc2C12CCNCC2 72168514 JQPJNDNVALLSAP-UXHICEINSA-N 364.424 2.669 0 50 FFAA Cc1c(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)cnn1C1CCCC1 132925527 ZQCYVAKSJWATQL-GOSISDBHSA-N 362.518 2.783 0 50 FFAA CSCCC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72463902 DGYFGUIGUXDKDB-UHFFFAOYSA-N 355.431 2.712 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Cc3csc(C)n3)[C@H](C)C2=O)cc1 72408691 JCULBMNUECEDNA-CQSZACIVSA-N 357.479 2.562 0 50 FFAA Cc1cc(C)n(CCCC(=O)N2CCC[C@H](OCc3cccnc3)C2)n1 223473547 PHVTVOSWAMFBKO-IBGZPJMESA-N 356.470 2.883 0 50 FFAA CCc1cc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)nc(C)n1 82109159 URBOVLZWGSTABO-UHFFFAOYSA-N 368.485 2.688 0 50 FFAA CCn1c(C)cc(C(=O)NCc2cc3n(n2)CCN(CC(C)C)C3)c1C 82108980 TVUKBXHYQXYTLW-UHFFFAOYSA-N 357.502 2.723 0 50 FFAA CCCCc1cn(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nn1 48501662 URKYWFWVLZSMBF-IBGZPJMESA-N 370.453 2.624 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 89925362 AXZDKVCTONMGHQ-IBGZPJMESA-N 351.454 2.551 0 50 FFAA COC[C@@H]1CCN(C(=O)CCCc2nc(-c3ccccc3OC)no2)C1 223349348 BSHOVKOSZSNUIQ-CQSZACIVSA-N 359.426 2.563 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)c1 82121149 VFDWFWMSVHOWTL-SFHVURJKSA-N 354.450 2.864 0 50 FFAA O=C1CCCN1CCc1nc(-c2ccccn2)nn1-c1ccc(F)c(F)c1 96136592 LATMAQLPEMWWOQ-UHFFFAOYSA-N 369.375 2.772 0 50 FFAA CN1CCCC[C@H]1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 97499571 ALYFNQPIUURHBA-INIZCTEOSA-N 355.404 2.838 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 97514409 QVYQBIKSZVAOOM-UHFFFAOYSA-N 372.432 2.710 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2c(F)cccc2OC)CC1 95497096 UOUCZQRARWFHCK-UHFFFAOYSA-N 361.417 2.697 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(Cc1cnc(C(C)C)nc1)C2 95372244 JVNBORSZDGYAIN-FUHWJXTLSA-N 354.502 2.728 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(c1ccc(C(F)(F)F)cn1)CCN2C 92045700 RDTRQVAPJVDJNE-KRWDZBQOSA-N 370.419 2.623 0 50 FFAA CSCC[C@@H](O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1 92037226 RPRBAQGMVLIFGV-MRXNPFEDSA-N 351.516 2.503 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2cccs2)CC1 95371652 HGNSDDBDXZJQAW-QGZVFWFLSA-N 373.522 2.898 0 50 FFAA CN(Cc1ccon1)[C@@H](C(=O)O)c1ccc(NC(=O)N2CCCC2)cc1 95385509 BYEMBPZYYNAPEQ-MRXNPFEDSA-N 358.398 2.560 0 50 FFAA O=C(O)c1ccccc1-n1nc(-c2ccncc2)nc1C[C@H]1CCCOC1 96135932 LTTOEGOCYMYPIZ-CQSZACIVSA-N 364.405 2.997 0 50 FFAA Cc1nc2ccc(-c3nc(CC(N)=O)nn3C3Cc4ccccc4C3)cc2o1 96165103 ULYYXLMQPXIRMW-UHFFFAOYSA-N 373.416 2.762 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2)CN1Cc1sccc1C 96153780 OIBOYCLCFYWRAT-IRXDYDNUSA-N 371.506 2.566 0 50 FFAA O=C(NCCCOc1cccnc1)c1cnc(-c2cccs2)nc1O 91410547 GIFZOHHNZOBIKC-UHFFFAOYSA-N 356.407 2.505 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 23191890 ANXXTKUNPBWQEC-ZDUSSCGKSA-N 350.484 2.930 0 50 FFAA CCN1CC2(CCC1=O)CCN(Cc1ccccc1O[C@H](C)C(=O)O)CC2 92028096 IYZHSWDUUOZHLX-MRXNPFEDSA-N 374.481 2.763 0 50 FFAA CCOCc1nc(C[C@H]2NC(=O)c3ccccc32)n(-c2ccccc2F)n1 91819136 UBPMPVPAHBPXQS-MRXNPFEDSA-N 366.396 2.970 0 50 FFAA O=C(c1cnoc1-c1ccccc1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91452321 XRPBSFMWAVQZCB-QZTJIDSGSA-N 369.465 2.508 0 50 FFAA CCOc1cc(NC2CCN(C(=O)NCc3ccccc3)CC2)ncn1 184185631 UYXBGTUWQVDKDI-UHFFFAOYSA-N 355.442 2.661 0 50 FFAA CC(C)Cn1cncc1CNC(=O)N(C)Cc1nc(O)c2ccccc2n1 534587691 BOUZVPVOAAJNOI-UHFFFAOYSA-N 368.441 2.530 0 50 FFAA CCCn1cc(CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1 534661186 IBLUQVBXDIAFRB-UHFFFAOYSA-N 360.462 2.889 0 50 FFAA NC(=O)Cc1ccc(-c2ccc(C(=O)NCCC3(O)CCCC3)cc2)cc1 534581879 IGONZXUTZBAYMU-UHFFFAOYSA-N 366.461 2.806 0 50 FFAA COc1ncnc(C)c1-c1ccc(C(=O)NCCn2cnc(C)c2C)cc1 584890541 NLXISMPVNRLIAH-UHFFFAOYSA-N 365.437 2.704 0 50 FFAA COC(=O)c1cc(NC(=O)Cc2csc(C3CC3)n2)c(O)c(OC)c1 1336120944 XJWNGGOTKSKQQP-UHFFFAOYSA-N 362.407 2.703 0 50 FFAA CC1=C(C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)OCCO1 952970877 DUWOLYRJNVQVGM-UHFFFAOYSA-N 358.482 2.907 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)[C@H](C)c2cccnc2)C2CCOCC2)n1 275276875 JYKRNWSOJJEFTH-CJNGLKHVSA-N 358.442 2.976 0 50 FFAA Cc1ccc(CNC(=O)c2cn3ccnc3s2)c(O[C@H]2CCOC2)c1 188512626 CABSCTBDAYVWKX-AWEZNQCLSA-N 357.435 2.802 0 50 FFAA CCc1nc(C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(OC)c3)CC2)n[nH]1 191556893 WZLDRZOJTIDPRI-SJORKVTESA-N 354.454 2.885 0 50 FFAA Cc1ccc(C)c([C@@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)c1 1506406780 JELKAFXFHSMKKS-SFHVURJKSA-N 356.422 2.870 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2sccc2C)OCC(=O)N1C 1529181248 LFXIDNMHSIUXHY-MSOLQXFVSA-N 358.463 2.580 0 50 FFAA CCN(C(=O)c1cccc(N2C(=O)[C@H](C)CS2(=O)=O)c1)c1ccccc1 12003800 KUKYYZGHFFREJP-CQSZACIVSA-N 372.446 2.666 0 50 FFAA COc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(c3ncccn3)C2)cc1 12301075 VWRVGHSWQNCNJR-QGZVFWFLSA-N 364.453 2.634 0 50 FFAA CC(=O)N(C)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2)cc1 12379321 FGJAOQJXPIPRNP-UHFFFAOYSA-N 357.801 2.877 0 50 FFAA CCCCn1c(CN(C)CC[C@@H]2CCCCO2)cnc1S(=O)(=O)CC 12434351 VRRGPOUVVIWGSO-KRWDZBQOSA-N 371.547 2.868 0 50 FFAA COCCc1nc2ccc(C(=O)NC[C@H](C)Oc3cccnc3)cc2o1 12448559 NSXLJGZKNYRNQM-ZDUSSCGKSA-N 355.394 2.609 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)Cc3ccsc3)[C@H]3CC[C@]2(C1)O3 1857716429 MJUAOBPRNSDIST-JRBPQWBISA-N 360.523 2.852 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cccc(N(C)C)c3)C1)CC2 1857730039 XBRGJEUTZMYWKB-NRFANRHFSA-N 366.465 2.677 0 50 FFAA c1ccc([C@H]2COC[C@H]3CN(Cc4ccc(-c5cc[nH]n5)o4)CCN23)cc1 1875247922 UZRDOFRXWXUWNK-YLJYHZDGSA-N 364.449 2.927 0 50 FFAA O=C(c1cn(C2CCNCC2)nn1)N1CCC[C@@H]1Cc1ccccc1Cl 237894412 GQPNSXYJEXDUQP-MRXNPFEDSA-N 373.888 2.703 0 50 FFAA COCC(=O)N(Cc1cc2cccc(C)c2nc1N(C)C)C[C@H]1CCCO1 12190897 RPXNPAUQQGIDBN-GOSISDBHSA-N 371.481 2.763 0 50 FFAA C[C@@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CCO1 263277950 YGHZZUAUXHAOSP-YPMHNXCESA-N 370.243 2.677 0 50 FFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(OC(F)F)cc1 916815326 UOKMEPVYBOJTEJ-UHFFFAOYSA-N 367.373 2.895 0 50 FFAA CN(C)Cc1ccc(CN(C)C(=O)c2cnnn2Cc2ccccc2)cc1 1875257979 YSXGKPNEYPIQCL-UHFFFAOYSA-N 363.465 2.660 0 50 FFAA O=C1CCN(Cc2ccc(F)cn2)C(=O)N1Cc1cccc2c1OCC2 1875293345 MXFHCKKFKKCJBL-UHFFFAOYSA-N 355.369 2.510 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCc3cc(O)ccc3C2)CC1=O 1875317891 LZWVUFNKQDFZHI-KXBFYZLASA-N 364.445 2.887 0 50 FFAA Cc1cc(C)n(C2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)n1 1875396527 KTNLBGKIHKTTAY-KGLIPLIRSA-N 357.458 2.723 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2nc(-c3ccc(OC)cc3)oc2C)[C@@H](C)C1 1875371042 MSCVNFUKPOGVCS-ZDUSSCGKSA-N 369.421 2.518 0 50 FFAA COc1ccc(OC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1OC 2325707712 HCCAEMHVRRGVOY-INIZCTEOSA-N 370.405 2.699 0 50 FFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cn1cnc2ccc(F)cc2c1=O 2325731111 GMTUXORZTOGWJE-GDBMZVCRSA-N 365.408 2.940 0 50 FFAA O=C(NCc1nc2ccccc2s1)c1cc(CC2CCNCC2)on1 2325774713 KUMKVWYXMJWVKF-UHFFFAOYSA-N 356.451 2.756 0 50 FFAA CCOc1ccccc1-c1cc(C(=O)OCC(=O)c2cc(C)n(C)n2)n[nH]1 2325780930 YWJJVZANZGIEQP-UHFFFAOYSA-N 368.393 2.557 0 50 FFAA N[C@H]1CCc2cc(-c3cc(F)cc(Cn4ccnc4)c3)ccc2NC1=O 2325858507 QAXOEMIJLVNJBU-SFHVURJKSA-N 350.397 2.950 0 50 FFAA O=C(N[C@@H]1CN(C(=O)C2CCC2)CC[C@H]1F)c1ccc2cccnc2c1 2325871380 JLUNJLGBUCYEIP-SJLPKXTDSA-N 355.413 2.704 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1cc(OC)c(O)c(OC)c1)CC2 752264 MYZOTMLMTMUUEX-UHFFFAOYSA-N 359.422 2.985 0 50 FFAA Cc1cc(C)cc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 787378 INYOOTJVKJMURO-UHFFFAOYSA-N 374.554 2.806 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cnn(-c3ccc(C)c(C)c3)c2)CC[C@@H]1O 2356140363 GDGNCDURZYQOLN-PZJWPPBQSA-N 371.481 2.927 0 50 FFAA CN(C(=O)CSc1cn(C)c2ccccc12)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356169946 NKVPKTGCPLJLNU-ZNMIVQPWSA-N 371.506 2.644 0 50 FFAA CC(C)CC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 4700120 OKQBDRQCLHKUGT-UHFFFAOYSA-N 354.450 2.936 0 50 FFAA CCOc1cc(CNC2CCCC2)cc(Br)c1OCC(N)=O 4858114 YWXLAURTTSJLOO-UHFFFAOYSA-N 371.275 2.744 0 50 FFAA Cc1cccc(CN2CCN(C/C=C/c3ccccc3)C[C@H]2CCO)n1 105273268 MBUWIRUPUSOJHH-MOVYNIQHSA-N 351.494 2.972 0 50 FFAA CN1CCN([C@@H](c2cccs2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 23116748 ZGHHPRJBTVZHCE-AZUAARDMSA-N 369.490 2.762 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)N(Cc2ccncc2)C2CC2)[nH]n1 67725809 RXLKKXGYFVEFQF-UHFFFAOYSA-N 364.453 2.978 0 50 FFAA Cc1ncc(CN2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1C 20601769 YYSVUOUITRGSKN-HXUWFJFHSA-N 353.514 2.858 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C[C@]1(O)CCCN2CCCC[C@@H]21 63856537 ODTWJRYDSGIJEW-WOJBJXKFSA-N 356.470 2.548 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3nccs3)nc2)C1 20272032 DNZVAHQRZSWJBK-CQSZACIVSA-N 360.483 2.691 0 50 FFAA C[C@@H](Cc1ccccc1F)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1 20149174 FFGOOYSXBNKZFY-HNNXBMFYSA-N 359.493 2.954 0 50 FFAA Cc1cc(C)n2ncc([C@@H]3CC(=O)Nc4c3c(C)nn4-c3ccccn3)c2n1 65493707 OUCUTMXLDDJACO-AWEZNQCLSA-N 373.420 2.709 0 50 FFAA CCCCn1cc(CNC(=O)N2CCC(c3nc(C)no3)CC2)c(C)n1 331377266 CQUNSVKXKUGTFB-UHFFFAOYSA-N 360.462 2.772 0 50 FFAA Cc1cnccc1C(=O)NCc1cccnc1N(C)CCc1ccccn1 67674272 WKYWLQKEXWQDRH-UHFFFAOYSA-N 361.449 2.789 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1Cc2cnc(-c3ccccc3)nc2C1 67691429 FAGBSJGQYWRJLB-UHFFFAOYSA-N 369.318 2.903 0 50 FFAA O=C(O)Cc1cc(C2CCN(C(=O)C/C=C/c3ccccc3)CC2)n[nH]1 67867796 KCBGGACVSZVFJE-QPJJXVBHSA-N 353.422 2.846 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C(=O)NC(C)C)CCO2 71278799 LCUAWHFQWNVCKV-UHFFFAOYSA-N 368.433 2.613 0 50 FFAA COCc1nc(NCc2cc3c(cc2OC)CCC3)c2cnn(C)c2n1 72149201 XGHNMVZOCSOUIC-UHFFFAOYSA-N 353.426 2.619 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 77341580 NPWULQKHHNJRFJ-GOSISDBHSA-N 364.873 2.625 0 50 FFAA O=C1CN(C(=O)CN2CCC[C@H](Nc3ccccc3)C2)c2ccccc2N1 155039536 XKONOIRONCVBDJ-KRWDZBQOSA-N 364.449 2.548 0 50 FFAA c1coc(CCCNc2ncnc3c2CCN(C[C@H]2CCOC2)CC3)c1 72407865 ITCCUWNFPSBJHX-MRXNPFEDSA-N 356.470 2.551 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)Nc3c[nH]nc3-c3nccs3)cc2NC1=O 446120748 FUOMHIXUVLTIGA-QMMMGPOBSA-N 370.394 2.897 0 50 FFAA Cc1nc(C)c(CC(=O)NC[C@H]2CCC3(CCN(C(C)C)CC3)O2)s1 216478827 QDXHGZBXXQVKEK-MRXNPFEDSA-N 365.543 2.841 0 50 FFAA COc1ccc(-n2ccnc2-c2c(C)n(C)n(-c3ccccc3)c2=O)cn1 72165851 WJBFBPTUYIOTKC-UHFFFAOYSA-N 361.405 2.741 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1 39364127 NBONBHRBXKJQCR-LJQANCHMSA-N 358.457 2.903 0 50 FFAA CCCc1nnc(N2CCC(c3nnc(CN(C)C)n3CC)CC2)s1 77301228 NCJUMMOARKJMDO-UHFFFAOYSA-N 363.535 2.548 0 50 FFAA COc1ccc2cc([C@@H]3CN(c4ncccc4C(N)=O)CCO3)ccc2c1 71750265 HNLGYQYVYVWEKK-IBGZPJMESA-N 363.417 2.920 0 50 FFAA CN(C)[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 173499516 NXSXCFUOFSIPIY-NSHDSACASA-N 364.799 2.718 0 50 FFAA Cc1ccccc1C1(CN[C@H](c2cccnc2)c2nnc[nH]2)CCOCC1 284055470 KNGQFODCCYTCSG-LJQANCHMSA-N 363.465 2.936 0 50 FFAA CC(=O)N[C@H](C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1)C(C)C 241277564 LHDJIYBXPDNNKK-FIKGOQFSSA-N 373.541 2.941 0 50 FFAA CN(Cc1ncnn1C(C)(C)C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 285329156 YEVPZYCRPSHZJB-HKUYNNGSSA-N 357.502 2.537 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C1CCN(CCc3ccccc3)CC1)C2 221433987 NWSORHOGAFKZFR-SFHVURJKSA-N 368.525 2.849 0 50 FFAA Cc1nn(C)cc1CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1 17073498 SQFOKOKRJMNQBJ-UHFFFAOYSA-N 355.467 2.923 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCc3ccccc3C(=O)O)CCO2)c1 263540756 QSBPCEXDIHSVCO-LJQANCHMSA-N 369.417 2.926 0 50 FFAA CCOCCC(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 82170489 CMECFPKARZHNAA-UHFFFAOYSA-N 352.434 2.955 0 50 FFAA Cc1nc(CNC(=O)CCCc2nc(-c3cccnc3)no2)sc1C 222894119 NYIREJBBUDUMCB-UHFFFAOYSA-N 357.439 2.844 0 50 FFAA COc1ccnc(-c2ccc(C(=O)N3CC(N4CCCC[C@H]4C)C3)cc2)n1 426486117 JWOVJUFJRXDOEN-OAHLLOKOSA-N 366.465 2.851 0 50 FFAA CC[C@@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1cnn(C)c1 426429781 JQTMNOGBVJQHRI-GOSISDBHSA-N 357.458 2.657 0 50 FFAA Cc1cccc(OC2CCN(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 426658154 BAYJGOWSDFOJMK-MRXNPFEDSA-N 371.481 2.559 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CCc2cccc(OC)c2)C1 95501410 HYBJMLKXSDZHDY-GOSISDBHSA-N 371.481 2.877 0 50 FFAA CC[C@@H]1COCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97259205 HSWSXIPDETXXJF-QGZVFWFLSA-N 356.422 2.823 0 50 FFAA CCN1CC[C@@H](CNC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)C1 426408872 BAEXOQQNZFGAFP-INIZCTEOSA-N 361.486 2.590 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95504269 CDAANLRZRYVOQA-CYBMUJFWSA-N 371.441 2.942 0 50 FFAA CCOc1ccccc1[C@H](C(=O)O)N1CCC(N2CCSCC2)CC1 95386364 UYTFINSXBAHEFM-GOSISDBHSA-N 364.511 2.724 0 50 FFAA CN(C)c1cccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2O)c1 179506418 NZKQJLVAJZGRPN-QGZVFWFLSA-N 365.437 2.717 0 50 FFAA O=S(=O)(c1ccc(-c2ccc(O)cc2F)cc1)N1CCSCC1 96133352 NZADYCAKBHAAMM-UHFFFAOYSA-N 353.440 2.936 0 50 FFAA CCN1C[C@H](c2nc(-c3ccc(-n4nc(C)cc4N)cc3)no2)CCC1=O 96147806 MREOAOUQBLRSFH-CQSZACIVSA-N 366.425 2.539 0 50 FFAA CCOc1ccc(NC(=O)N2CCC[C@H](CN3CCOCC3)C2)c(F)c1 96141503 XZBMIEBEEBBYCI-OAHLLOKOSA-N 365.449 2.801 0 50 FFAA CC[C@H](C)Oc1cc(CNS(=O)(=O)c2cn(C(C)C)cn2)ccn1 180191198 IFXMPWUQWUPQMK-ZDUSSCGKSA-N 352.460 2.515 0 50 FFAA Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239339017 LPCKYGOUPHLYKM-HXXCKNJQSA-N 365.429 2.652 0 50 FFAA CC1(C)CC(=O)N(CC(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)C1 95521551 GAPMRWCZJTYCQI-ZAOIQFLMSA-N 370.493 2.966 0 50 FFAA Cc1ocnc1C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95355978 OVAXDSYTCLSHAH-NIKGAXFTSA-N 373.403 2.964 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(Cl)c1)C2 91548453 VIYAACIGOZRLHM-XJKSGUPXSA-N 370.840 2.507 0 50 FFAA COC(=O)c1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)c1 95382777 CWRNCWAORHXQCM-OAHLLOKOSA-N 373.409 2.966 0 50 FFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239402768 RCRAITACSFJJLA-HSXSFOCCSA-N 370.836 2.720 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@@H](O)C2)cn1 244678520 IFDSHZLIUNZFQM-JTDSTZFVSA-N 351.406 2.814 0 50 FFAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(OCC(F)(F)F)nn1 182255839 CRYSTAWCCJYIJV-LLVKDONJSA-N 369.343 2.827 0 50 FFAA COc1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1OCc1ccccc1 299741575 GNVCGFSBAZOGDP-INIZCTEOSA-N 355.390 2.821 0 50 FFAA CCN(CCn1cccn1)C(=O)c1cccc(-c2nccnc2OC)c1 299780309 ATADCOXZKSGKKV-UHFFFAOYSA-N 351.410 2.511 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)N[C@@H](C)Cc3cc(C)n[nH]3)ccc21 299786369 SUQRAQMMUCDKJF-LBPRGKRZSA-N 371.441 2.990 0 50 FFAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)C1COC1 1772716926 HKJHBUVYYUNRMA-LJQANCHMSA-N 367.401 2.967 0 50 FFAA CCSc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C)no2)s1 299786857 OBPUPSXKLRAJGH-SNVBAGLBSA-N 353.473 2.722 0 50 FFAA C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)c1ncnn1C 299782104 SHLXKSFHJRLHSE-CQSZACIVSA-N 370.457 2.714 0 50 FFAA CC(C)(C)c1cc(C(=O)NC[C@@H]2CCCN(C3CCCC3)C2)nc(O)n1 299790785 BNIMQULCKKLHPS-AWEZNQCLSA-N 360.502 2.864 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1conc1-c1ccccc1 828207905 BYAMZOVFCMXGNO-OAHLLOKOSA-N 365.389 2.969 0 50 FFAA C[C@H](CCc1nc(-c2cccc3c2ccn3C)n[nH]1)N1CCN(C)CC1 823789304 CQBGUDQTVAYYEJ-OAHLLOKOSA-N 352.486 2.532 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(OCCOC)CC1 824445100 VQICZULSGDUVIF-UHFFFAOYSA-N 368.861 2.956 0 50 FFAA O=C(NC1(C(=O)O)CCCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 827969375 DOPLKYJMOVRLPV-AWEZNQCLSA-N 352.818 2.820 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCC1CC1)c1cnc(Nc2ccccc2)nc1 1565516062 KZBTYWLMDGTCAZ-ROUUACIJSA-N 368.437 2.534 0 50 FFAA COC(=O)c1cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cs1 75935212 SQQKUUCEJNSKIX-MFKMUULPSA-N 354.435 2.742 0 50 FFAA COc1cccc(CCC(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)c1 952972582 SXKAUVBWPFQYDE-ZDUSSCGKSA-N 367.405 2.711 0 50 FFAA Cc1cc(C)c2c(c1)CCN(C(=O)Nc1ccc(S(C)(=O)=O)nc1)C2 187036822 COYQYFFRBKYCRW-UHFFFAOYSA-N 359.451 2.692 0 50 FFAA CCCN1CCN([C@@H](C(=O)O)c2ccc3cc(OC)ccc3c2)CC1=O 1506420911 DMXHVTXPUDIFLC-LJQANCHMSA-N 356.422 2.528 0 50 FFAA CCOc1ccc(C(=O)Nc2nnc(CCN(C)C)s2)cc1Cl 1529172899 SOYYWGLLKCQUEU-UHFFFAOYSA-N 354.863 2.947 0 50 FFAA CN1C[C@@]2(CCCN(c3noc(-c4ccccc4)c3C(=O)O)CC2)OC1=O 1772704909 UNVHKVJSWYYKEC-IBGZPJMESA-N 371.393 2.851 0 50 FFAA COc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cc1C(=O)O 1775983418 LTLKJRZFDDOSOK-UHFFFAOYSA-N 364.361 2.615 0 50 FFAA O=C(NCc1cnn(-c2ccccc2)n1)c1cc(CCc2ccccc2)no1 12450210 UXMDYBJFWSUYCZ-UHFFFAOYSA-N 373.416 2.971 0 50 FFAA COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@]12c1ccc(Cl)cc1 15800037 GKDAJZXSLMHDJA-YZVOILCLSA-N 355.777 2.570 0 50 FFAA CCc1cccc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)c1 169760052 LWODACCKWNJHNB-UHFFFAOYSA-N 350.422 2.576 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1nccn1C 1857679743 SMYPJUFDWZNEBS-WAOWUJCRSA-N 353.466 2.949 0 50 FFAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccccc3C(F)(F)F)C[C@H]2CO1 1857722181 DUNZQXWEFMXBOJ-XEZPLFJOSA-N 356.388 2.933 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)NC(C)(C)CCC(=O)O)cc2)C[C@@H](C)O1 237509799 WYIGWZOGMRCHRH-HUUCEWRRSA-N 362.470 2.669 0 50 FFAA CC1(C)C[C@H](c2noc(CCN3C(=O)COc4ccccc43)n2)CCO1 351187907 UJCRSWXEDLHYEZ-CYBMUJFWSA-N 357.410 2.710 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CCO1 263046914 WKCUTVWKQUVJGC-GUTXKFCHSA-N 372.446 2.658 0 50 FFAA Cc1noc2ncc(NC(=O)[C@H]3CCCCN3C(=O)c3ccco3)cc12 263849696 YNGMSIXNTPLFFD-CQSZACIVSA-N 354.366 2.758 0 50 FFAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cccc3cc[nH]c23)C1 818189727 VVCSLCNCFJKUHB-HXUWFJFHSA-N 352.438 2.998 0 50 FFAA Cc1nc(C(=O)NCC(=O)Nc2cnc3ccccc3c2)c2ccccn12 1875260120 AQQKKAQHSFPKLW-UHFFFAOYSA-N 359.389 2.559 0 50 FFAA CO[C@H]1C[C@H](C(=O)O)CN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330374 PHODHXZQLGPCLP-QWRGUYRKSA-N 353.850 2.670 0 50 FFAA C[C@@H](Oc1cccc2ccccc12)C(=O)N1CC(c2cc(CO)on2)C1 886085714 LLVRMQIHOHERQD-CYBMUJFWSA-N 352.390 2.713 0 50 FFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@H]2CCCOC2)s1 2325781465 ROSKLRNXPITWJX-OCCSQVGLSA-N 360.483 2.904 0 50 FFAA CC[C@@]1(C)C[C@@H]1C(=O)N1CCC(C)(NC(=O)CC2(COC)CC2)CC1 2325793106 FQEPGFIPHJZEMG-QAPCUYQASA-N 350.503 2.737 0 50 FFAA Cc1cncc(CC(=O)N(C)[C@H](CNC(=O)C2CC3(CCC3)C2)C2CC2)c1 2325793759 GZCOXYHGGXTNMU-LJQANCHMSA-N 369.509 2.866 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc3cccnc3nc2C2CC2)CC12CCC2 2325799697 QMNLEPHKNXUHEW-HNNXBMFYSA-N 351.406 2.834 0 50 FFAA Cc1cccc(C[C@H](N)C(=O)N2CCN(c3cncc4ccccc34)CC2)c1 2325859034 LLQMOVVEBBVBHI-NRFANRHFSA-N 374.488 2.762 0 50 FFAA CCOc1ccc(NC(=O)c2c(I)cnn2C)cc1 1185486 LNIYEGYWJKZYGF-UHFFFAOYSA-N 371.178 2.676 0 50 FFAA COc1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 10315311 XKYUOHZIBBWCOR-UHFFFAOYSA-N 362.451 2.647 0 50 FFAA Cc1nsc2ncc(C(=O)N[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc12 110408526 BUCXQKVDNJVWIB-LBPRGKRZSA-N 362.455 2.739 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)N(C)Cc3cc(C4CC4)[nH]n3)CC2=O)cc1 55358755 AYWHFPCDDYQYMW-KRWDZBQOSA-N 366.465 2.603 0 50 FFAA CCOc1ccc(-c2nc(C)c(C(=O)NS(=O)(=O)CC)s2)cc1 225383691 QNHNZDXYGFVRER-UHFFFAOYSA-N 354.453 2.597 0 50 FFAA CC(C)c1cc(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)[nH]n1 101963167 UXIOWIAZOZTBMT-UHFFFAOYSA-N 359.499 2.889 0 50 FFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCC3)C2)CC1 55053822 QBPAZJLCMADGJH-GOSISDBHSA-N 357.498 2.608 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 116216561 CZZZKICVSLQZKM-CVEARBPZSA-N 359.514 2.879 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1 102819440 PMFRRTLZQJQJLB-BWTSREIZSA-N 368.481 2.777 0 50 FFAA CCC[C@H]1C=CCN1C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 67946534 USASWIKSAWKXMR-AWEZNQCLSA-N 355.394 2.898 0 50 FFAA O=C(N[C@@H]1CCCNC1=O)c1csc2nc(-c3ccccc3Cl)cn12 67446983 UBZWKQFWWPFQMW-GFCCVEGCSA-N 374.853 2.725 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 20427259 CATVORFVDKUJLA-KXBFYZLASA-N 352.390 2.616 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)c2ccc(N3CCCC3)c(F)c2)c1CC 120984315 WIKJZZYDSKCHRT-UHFFFAOYSA-N 372.444 2.564 0 50 FFAA COc1cccc(C2=NO[C@H](C(=O)Nc3ccc(OC)c(OC)c3)C2)c1 4434913 RUSNEHISXMHECV-SFHVURJKSA-N 356.378 2.844 0 50 FFAA Cn1c([C@H]2CCCN2[C@H]2CCN(CC(F)(F)F)C2=O)nc2c1CCCC2 328631149 KCUVGJGEQGKSEB-CABCVRRESA-N 370.419 2.599 0 50 FFAA O=C(CN1CCC[C@H]1Cn1cc(C2CC2)nn1)N1CCC[C@H]2CCCC[C@@H]21 328927524 FXMHGOQCLXXPQN-HBFSDRIKSA-N 371.529 2.801 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)O)(n2ccnc2C)CC1 72407279 QBAGHFQHDHIZDA-UHFFFAOYSA-N 359.474 2.662 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c1 72117633 JPFXPTARDLBNIL-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@@H]1[C@H]3Cc4ccccc4[C@@H]31)C2 332774769 BZZYHXLVZHYNEJ-FEGHXTNJSA-N 364.445 2.884 0 50 FFAA O=C(c1ccccc1)N1CCc2ncnc(NCc3ccccn3)c2CC1 72475382 HAHPURDRCHZQHO-UHFFFAOYSA-N 359.433 2.725 0 50 FFAA CCn1cc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cn1 334095425 RGRUTBUWIKIGIX-AWEZNQCLSA-N 374.407 2.794 0 50 FFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)[C@@H]1CCCCNC1=O 132576639 DCQWLRYLDFCSQQ-MGPQQGTHSA-N 370.371 2.816 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1cnc2c(c1)nnn2C 72409314 LGLPFSKFCWTJNX-UHFFFAOYSA-N 370.463 2.821 0 50 FFAA Cc1ccc(-n2nc(C)c(CC(=O)N3CCC(N)CC3)c2C)cc1Cl 237837829 QGAWYIKGNRLADD-UHFFFAOYSA-N 360.889 2.943 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N[C@@H]3[C@@H]4CCc5ccccc5[C@@H]43)cc12 157320469 DJMHLIDBQJJDOT-HYVNUMGLSA-N 355.419 2.538 0 50 FFAA CCc1cc(N2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)nc(C)n1 72428002 BUWASZGDSNZKCO-FQEVSTJZSA-N 360.502 2.593 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CC[C@@H](c2ccco2)C1 377611998 RDTAEHRQSZWOOX-CQSZACIVSA-N 354.410 2.593 0 50 FFAA COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)ncn1 157821856 QSZJAFBVARVSOZ-OAHLLOKOSA-N 368.437 2.593 0 50 FFAA CC[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cc(F)ccc1F 130068517 LQOVABIULUGVRX-QGZVFWFLSA-N 357.360 2.942 0 50 FFAA C[C@H]1CCCN1C(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 72475681 ZALKPKZREPVPNB-LBPRGKRZSA-N 370.840 2.978 0 50 FFAA CCCCc1nc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@@H]2C)c[nH]1 72138856 VBDHZYIVAMKGPY-HNNXBMFYSA-N 356.470 2.998 0 50 FFAA CCCc1nc(C(=O)N2CC[C@H](N(CC)CC)C2)nn1-c1ccccc1F 174157047 VHJJLOOZDWWKCZ-HNNXBMFYSA-N 373.476 2.915 0 50 FFAA C[C@@H](C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1)c1cccs1 285741832 YXHPPQJCGUGSNN-GHMZBOCLSA-N 374.388 2.606 0 50 FFAA CCC[C@@H]1CN(c2nc(SC)ncc2C(=O)OCC)C[C@H]1N(C)C 82086958 XFVYSLHLACQJTL-TZMCWYRMSA-N 352.504 2.542 0 50 FFAA COc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)ccc1O 220429836 LIGDVZUOKGILTG-PMTKGXAQSA-N 369.417 2.578 0 50 FFAA COc1cccc2c1N(C(=O)c1nc(-c3cnn(C)c3)oc1C)CCC2 176934698 QWSGGLLIYIIVBR-UHFFFAOYSA-N 352.394 2.985 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C(=O)O)cc3F)CCO2)c1 263550238 WBFJVOCPHCYYHR-QGZVFWFLSA-N 359.353 2.746 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)NC[C@@]2(C)CCCO2)CC1 426534355 CBGYDMLTILERRK-OAQYLSRUSA-N 359.514 2.904 0 50 FFAA CC(C)c1nccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)n1 82139077 BELJTZMZHTZHFW-UHFFFAOYSA-N 358.829 2.742 0 50 FFAA COc1ccc(C2=NO[C@H](C(=O)Nc3nccc(-c4ccco4)n3)C2)cc1 20617372 ZLSHHKMMQAMMOS-KRWDZBQOSA-N 364.361 2.877 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 426361283 MMPOJVASXXVNSN-UHFFFAOYSA-N 366.421 2.748 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1Cc1ccc(OCCO)cc1 82162128 LMBYYSWXUGGGNY-OAHLLOKOSA-N 374.868 2.948 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c1 426489542 MJSQAOHDJNELJW-INIZCTEOSA-N 353.422 2.895 0 50 FFAA CCc1nc(CCNC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)no1 96136617 YVMCGKSPNYAGKQ-MRXNPFEDSA-N 374.441 2.944 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)NCCN1CCNCC1 95526603 QTWSXHSEUAMTGM-IBGZPJMESA-N 371.912 2.883 0 50 FFAA CCCC[C@H](NC(=O)c1cccc(-c2ccc(C(=O)NC)s2)c1)C(N)=O 426444551 KKXMWFDUDHJMDP-AWEZNQCLSA-N 373.478 2.549 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(Cn3ccnc3)o1)C2 95519507 YEDKJRBKYWQDAM-CQSZACIVSA-N 367.405 2.514 0 50 FFAA CC(C)(C(=O)Nc1n[nH]cc1Br)c1ccc2c(c1)OCCO2 293994970 SHQOWNNSFNIQDT-UHFFFAOYSA-N 366.215 2.860 0 50 FFAA O=C(CCCc1cccs1)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 92028470 XJASYQFFSNWCKM-SJORKVTESA-N 350.528 2.624 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@H]1CCN1CCCC1 95390921 BRKLMTFELVQVAP-ZDUSSCGKSA-N 358.408 2.920 0 50 FFAA CC(C)n1ccnc1C1CCN(C(=O)CSCCN2CCCC2)CC1 95507832 GQGDVDGNWHRKIC-UHFFFAOYSA-N 364.559 2.999 0 50 FFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(C)c4)C(=O)[C@H]13)O2 239259387 ZDCDBZQIBWZIQY-DRMAHVMPSA-N 361.825 2.888 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(Cc1nc3ccccc3[nH]1)C2 91914576 UZFYDKLIRSRNMZ-JKSUJKDBSA-N 350.470 2.691 0 50 FFAA O=C(C[C@@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91365055 DMKGMZAUAIZYFB-OAQYLSRUSA-N 364.489 2.974 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)C[C@H]2CN(C(C)C)CCO2)CC1 92027949 QCASOUSOWVLUMR-IBGZPJMESA-N 359.514 2.533 0 50 FFAA Cc1cc(=O)n(CC(=O)N2CCCC[C@H]2CCc2cccs2)nc1C 95377375 IUVWCYBUZOVIHQ-INIZCTEOSA-N 359.495 2.936 0 50 FFAA CCOc1ccc(CCCC(=O)N2CC[C@]3(CCCNC3=O)C2)cc1C 91819670 DDEMAQLPVNUHQZ-OAQYLSRUSA-N 358.482 2.845 0 50 FFAA COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(O)c1 243914958 BLCLKBCRTVIQJE-MDOVXXIYSA-N 369.417 2.578 0 50 FFAA CCOc1ccccc1OCCN1CCCN(C(=O)c2ccoc2)CC1 244708219 KPQYDTFAHSCZPU-UHFFFAOYSA-N 358.438 2.905 0 50 FFAA Cc1c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cnn1C 252499135 RVXVANQSNARRSD-UHFFFAOYSA-N 370.453 2.841 0 50 FFAA Cc1oc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)cc1C(=O)O 299751698 RIKISKIMNNEGMN-UHFFFAOYSA-N 360.391 2.603 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)Nc1ccc2ncn(C3CC3)c(=O)c2c1 253412957 SOXMYLGEVSDYNP-UHFFFAOYSA-N 351.410 2.643 0 50 FFAA O=C(Nc1ccc2[nH]c(=O)oc2c1)N1CCC[C@@H](OCc2ccccn2)C1 299765840 YKIRIVRBVUVBMH-OAHLLOKOSA-N 368.393 2.729 0 50 FFAA CC(C)C[C@@H](CO)N(C)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 185365395 IPVJXBODPLBMIG-PMACEKPBSA-N 361.530 2.599 0 50 FFAA Cc1ccccc1[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1cccs1 584902238 BGNNWPDZDQOHSO-INIZCTEOSA-N 364.492 2.586 0 50 FFAA CCOc1ccc([C@@H](CC)NC(=O)c2cc3ncc(CCO)cn3n2)cc1 670444744 SBPUZEASBBZJGO-QGZVFWFLSA-N 368.437 2.544 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1cccc2c1CCC2=O 952971846 MTWXBEAGTQBNSF-AWEZNQCLSA-N 354.450 2.679 0 50 FFAA CCn1nc(C)cc1C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1 952975166 SFKNIYXNHMIHRF-GOSISDBHSA-N 357.454 2.912 0 50 FFAA COc1ccccc1OCCN1CCN(c2nccc(C(C)C)n2)CC1 185842584 ILBAIOKXUUZLRA-UHFFFAOYSA-N 356.470 2.810 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)n1 167207275 FRGMYSGXRLVSOY-IBGZPJMESA-N 362.433 2.854 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(Cl)c2c(c1)OCCO2 275519027 KXVDTOPZIKNNPT-YOEHRIQHSA-N 363.845 2.947 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCCc2cc(N)ccc21 186630268 GVIJAOIXYQIMPS-MRXNPFEDSA-N 351.410 2.773 0 50 FFAA CCOC[C@H]1CCCN1S(=O)(=O)c1cc(-c2ccno2)sc1C 1506419969 OJQTUECSAFZEON-GFCCVEGCSA-N 356.469 2.901 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)c1nc2cc(C(=O)O)ccc2n1C 1529117928 FASSHXALUNTSBH-QGZVFWFLSA-N 364.449 2.764 0 50 FFAA COc1cc(-c2onc(NC[C@@H](C)CN(C)C)c2C(=O)O)ccc1F 1704310137 PGADHKQPRQHKEI-SNVBAGLBSA-N 351.378 2.797 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3nc4c(s3)CCCC4)C1)CC2 1704343170 UJPDVJXCGRIEQJ-IBGZPJMESA-N 369.494 2.514 0 50 FFAA COCC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 1704280008 GWYMYOKEOURORF-VQIMIIECSA-N 354.450 2.725 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2)c1 12317264 MECPFWQXEMOYDK-OAQYLSRUSA-N 368.481 2.855 0 50 FFAA O=C(Cn1nc2ccccc2n1)N1CCO[C@H](CCCc2ccccc2)C1 12386322 FARCAGCZJNQCHK-GOSISDBHSA-N 364.449 2.682 0 50 FFAA COCCN(Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C)C(C)C 19147925 CHZMGTSSUZMTKR-UHFFFAOYSA-N 373.563 2.968 0 50 FFAA Cc1c(NC(=O)CN2CCC[C@@H](COc3ccccc3F)C2)cnn1C 19658913 GTYWIXVMHGBULE-OAHLLOKOSA-N 360.433 2.597 0 50 FFAA Cc1cc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)ccn1 1857672211 CBDZYANANPXSKG-MRXNPFEDSA-N 365.437 2.849 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)C2 1857677653 LHBACEQFEJDWDN-LJQANCHMSA-N 372.400 2.581 0 50 FFAA COc1c(C(=O)O)cc(-c2nccc(C(F)(F)F)n2)c(OC)c1OC 1875243781 XCHXVBLOGQQIRX-UHFFFAOYSA-N 358.272 2.886 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c(F)c1 1875248236 FLJOVNRLORJTHM-PZJWPPBQSA-N 373.424 2.715 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)cc1Cl 409420829 XZNIDASHVBSUKF-INIZCTEOSA-N 373.902 2.733 0 50 FFAA CCc1oc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)cc1C 328618939 FGJXLFIKLMZISO-SFHVURJKSA-N 370.453 2.754 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)s1 248042928 PJTYBEDOVBHKIR-CABCVRRESA-N 359.499 2.528 0 50 FFAA CN(CCO)Cc1cccc(-c2nc(CCc3ccccc3)cc(=O)[nH]2)c1 20149109 ALDDHCDIEYXTDD-UHFFFAOYSA-N 363.461 2.646 0 50 FFAA COc1cc(C)c([C@H](C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc1OC 157928891 RTXCSCPVDSDDSP-LBPRGKRZSA-N 369.421 2.683 0 50 FFAA COc1ccc(CN2CCC3(CC2)C[C@](O)(CO)CCO3)c2ccccc12 1704308027 CZIXUTRZZBJWNR-NRFANRHFSA-N 371.477 2.717 0 50 FFAA Cc1cc(C)n(-c2cccc(CNC(=O)Nc3cnc4cccnn34)c2)n1 1875322785 HYOBXWFGBVPXIZ-UHFFFAOYSA-N 361.409 2.854 0 50 FFAA C[C@@]1(CNC(=O)C2CC(F)(F)C2)CCCN(c2cncc(Cl)n2)C1 1875309316 HLUDZPJRVICQKK-HNNXBMFYSA-N 358.820 2.898 0 50 FFAA NCc1ccc(C(=O)NCc2n[nH]c3ccc(Cl)cc23)c(C2CC2)n1 1875301424 KAUYJLNALOMVRM-UHFFFAOYSA-N 355.829 2.877 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3cccc4c3OC(C)(C)C4)C2)n1 886096681 IMZDWNLMRPGRGA-HXUWFJFHSA-N 357.454 2.661 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@H]2c1ccccc1 100079213 DOKTZNJIEAKVSU-BZSNNMDCSA-N 367.836 2.876 0 50 FFAA CCS(=O)(=O)CCn1cc(C)c(-c2ccc([C@@H]3OCC3(F)F)cc2)n1 2325777798 GLRACYHZBXLVDT-INIZCTEOSA-N 370.421 3.000 0 50 FFAA COC(=O)[C@@H]1Cc2ccc(Cl)cc2CN1C(=O)[C@H]1CC12CCOCC2 2325822972 ABAPNUPIONRFOA-CVEARBPZSA-N 363.841 2.583 0 50 FFAA CC(C)c1ccc(/C=C/CC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1 885018538 SLGNVRJADMDMSI-RTLBZRNLSA-N 370.493 2.703 0 50 FFAA CCOc1ccc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1 1160426 RKCFKQMLUHLXPK-CYBMUJFWSA-N 369.215 2.649 0 50 FFAA Cc1cccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)c1C 1167814 IQVQLIQHBUOZJF-UHFFFAOYSA-N 358.463 2.777 0 50 FFAA CN1Cc2nnc(-c3ccc(F)c(F)c3)n2[C@H](Cc2ccccc2)C1=O 2356141943 XCJHNQUVLYAHGF-MRXNPFEDSA-N 354.360 2.979 0 50 FFAA COc1ccc(CNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4276228 UTSNJSKNNPHUNG-UHFFFAOYSA-N 374.396 2.761 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2C)n1 4858322 BQIOIKYTJSJJLV-UHFFFAOYSA-N 353.831 2.874 0 50 FFAA CCc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(C)ccc2OC)cc1 4869159 OAPUZMOPMDQRAV-UHFFFAOYSA-N 363.435 2.846 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](CC(C)C)c2ccccc2)CC1 57897280 BTIOMPWJVPZYDP-GOSISDBHSA-N 366.527 2.952 0 50 FFAA Cc1ccccc1Cn1cc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)nn1 12227177 IQPPKEAJYKVRRT-SFHVURJKSA-N 367.497 2.583 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)Nc2nnc(C3CCCCC3)s2)CC1 59759772 MAHRUXSZTWUEJJ-UHFFFAOYSA-N 365.503 2.918 0 50 FFAA CC(C)C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25905088 SKTWZICGODYBFB-IRXDYDNUSA-N 352.500 2.562 0 50 FFAA COc1ccc(C(C)C)cc1CN1CCN(C)[C@]2(CCNC(=O)CC2)C1 107403450 SGVYDWDGLGWHPP-OAQYLSRUSA-N 359.514 2.605 0 50 FFAA Cc1cc(C)cc(NC(=O)CC(=O)NC[C@@H]2COc3ccccc3O2)c1 55393741 RKAUSTJOCASYKS-MRXNPFEDSA-N 354.406 2.588 0 50 FFAA COc1ccc(-c2cn(Cc3nc(C)c4c(n3)CCCC4)nn2)cc1OC 67457847 DPAVOPAXBMBBHC-UHFFFAOYSA-N 365.437 2.988 0 50 FFAA CN(Cc1cnccn1)C(=O)c1cc(COc2c(F)cccc2F)on1 67847042 FACWUZWAYWYYIP-UHFFFAOYSA-N 360.320 2.594 0 50 FFAA CC1=NO[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)C1 67965580 DGBHQBHLSHWCAV-IBGZPJMESA-N 352.438 2.871 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3nc4ccccc4nc3O)CC2)c1 63848103 RSPIFLMRAGCBQH-UHFFFAOYSA-N 362.433 2.602 0 50 FFAA CCNc1ncc(C(=O)N(C)Cc2ccc(OC)c3ncccc23)cn1 65491398 GULAOIDNJHNPSG-UHFFFAOYSA-N 351.410 2.737 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)[nH]n2)cc1 136433902 IQUIYAKCNJAPRG-KRWDZBQOSA-N 366.465 2.906 0 50 FFAA O=C1[C@@H](Sc2nccn2Cc2ccccn2)CCN1CC(F)(F)F 118180144 OSBJRLDGNCOKQO-LBPRGKRZSA-N 356.373 2.582 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCS(=O)(=O)CC1 67673035 FANDBQSBTZJZRH-UHFFFAOYSA-N 374.384 2.899 0 50 FFAA O=C(c1ccc(N[C@H]2CCSC2)nc1)N1CCC(Cn2cccn2)CC1 20209258 BMLOTZYQMVKJEY-KRWDZBQOSA-N 371.510 2.748 0 50 FFAA COc1cc(Oc2cncc(C(N)=O)n2)cc(Cl)c1CN1CCCC1 67966289 ZXUGHWSSEADMIL-UHFFFAOYSA-N 362.817 2.626 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)c2ccc(C(N)=S)cc2)CC1 119697129 KEJVKMDJDFOBIX-UHFFFAOYSA-N 369.490 2.682 0 50 FFAA COc1cc(NC(=O)c2ccc(CN3CC[C@H](O)C3)cc2)cc(OC)c1 65534832 SDJPJKXGWBTHBH-KRWDZBQOSA-N 356.422 2.523 0 50 FFAA O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)NC(=O)NC1CCCCC1 252550359 SLRKJCSCQFDPJA-KURKYZTESA-N 365.518 2.551 0 50 FFAA COC(=O)[C@@](O)(CC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F 2766913 PZHAHZUTPOBPBA-NSHDSACASA-N 359.222 2.500 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2c2nccc(C(F)(F)F)n2)n1C 328629640 PBIJYFBTQXTAPX-GFCCVEGCSA-N 367.375 2.925 0 50 FFAA CC[C@H](COC)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(-c2ccc(F)cc2)c1 328607189 VFNQJHJWORHAHM-JNAXZKDPSA-N 374.460 2.545 0 50 FFAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc2cc(Br)ccc2o1 122892760 KMMZXABKOMIYSV-LBPRGKRZSA-N 365.227 2.936 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NCCCc3cccnc3)CCC2)cc1 219878386 HYHMETSFEBKDRN-UHFFFAOYSA-N 372.490 2.656 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)Cc1ccc(OCC(=O)N2CCCC2)cc1 215908989 INPBXNMLSLCUGV-UHFFFAOYSA-N 370.497 2.702 0 50 FFAA CCN(CC)C(=O)[C@H](C)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 152897733 GCOWAOABLXMZGV-KRWDZBQOSA-N 370.497 2.716 0 50 FFAA COc1ccccc1N1CC[C@@H](NS(=O)(=O)Cc2ccccc2F)C1 153031518 NKGJPUMLWPFUOD-OAHLLOKOSA-N 364.442 2.533 0 50 FFAA C[C@H](NC(=O)c1ccco1)C(=O)NC1CCN(CC2CCCCC2)CC1 363197303 KTLWLCLJHRUIOH-HNNXBMFYSA-N 361.486 2.559 0 50 FFAA C[C@H]1CC[C@@H](CCC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)O1 175253526 HBGJKPXXSZTQOX-YJBOKZPZSA-N 362.445 2.848 0 50 FFAA CCCN1Cc2cccc(NS(=O)(=O)c3ccc(N(C)C)nc3)c2C1 448543241 NLWMOMUHEWGCLK-UHFFFAOYSA-N 360.483 2.674 0 50 FFAA O=C(O)c1ccc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)nc1 77428915 YTZMASMNHQLVNC-FQEVSTJZSA-N 357.454 2.931 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F)CC2 373157598 COUXRNXAQAJMCQ-FQUUOJAGSA-N 366.424 2.925 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2ccccc2N2CCOCC2)N(C)C)cc1 509940131 UJRJQKDDQOBQHJ-OAQYLSRUSA-N 367.493 2.864 0 50 FFAA O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccc(O)cc2O)c2ccccc21 175439047 COFRAOYNUFTEAE-CQSZACIVSA-N 366.417 2.854 0 50 FFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(CN2CCCCCC2)c1 223023423 OHZWSZZCGBFBQZ-WOJBJXKFSA-N 360.498 2.986 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CN1C1CC1 177075834 QTNHPPDSPPOXIX-DGCLKSJQSA-N 371.462 2.894 0 50 FFAA Cc1ccc2[nH]c(CCC(=O)NCCc3nc(C(=O)O)cs3)nc2c1C 221310360 YFRFXDLXXJNRTB-UHFFFAOYSA-N 372.450 2.626 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cs1 223548353 ZJVOOTVZHNWOMF-MSOLQXFVSA-N 373.474 2.984 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cncn2C)cc1 426571393 FIJFSYSKBWSYAY-LJQANCHMSA-N 350.422 2.942 0 50 FFAA O=C(c1cccc(N2CCOCC2)c1)N1CCCC[C@H]1CN1CCCC1 220536647 RZICMQZDOFMTNJ-FQEVSTJZSA-N 357.498 2.614 0 50 FFAA O=C1C[C@]2(CCN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C2)C(=O)N1 82108109 CJTSSFPHZKVNPC-QHCPKHFHSA-N 373.456 2.928 0 50 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N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 329917244 QTDOJSAQHYIPQS-NSIVTLKISA-N 356.422 2.724 0 50 FFAA COC(=O)c1ccnc(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)c1 71771800 KTXGAWNVZZICDZ-OAHLLOKOSA-N 354.406 2.976 0 50 FFAA CC1CCN(Cc2cccc(CNC(=O)[C@@H](C)C[S@](C)=O)c2)CC1 253420733 LGTNPDGFZIEEKA-FYSMJZIKSA-N 350.528 2.549 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2cccn2C)[C@@H]2C3CCN(CC3)[C@H]12 72150179 RVNNQDJEJGQRAX-DUXKGJEZSA-N 365.477 2.736 0 50 FFAA CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 152529129 NMKWZNFNPWFXFM-UHFFFAOYSA-N 362.451 2.739 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2cnn(C)c2C)[C@@H]2C3CCN(CC3)[C@H]12 72137146 CFMUBDGSHIVNMD-KSEOMHKRSA-N 366.509 2.799 0 50 FFAA Cc1nc(C(=O)N2CCC[C@@H](Cc3nnc4ccccn34)C2)sc1C 365197317 NLRZYNDYCSNZAP-AWEZNQCLSA-N 355.467 2.898 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C 72170416 YHSALLDYPQJHQQ-SFHVURJKSA-N 366.461 2.872 0 50 FFAA COc1ccc2c(c1)N(S(=O)(=O)Cc1c(F)cccc1F)CCC2=O 367543371 BEWCVXQNEMQCED-UHFFFAOYSA-N 367.373 2.896 0 50 FFAA Cn1c(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cccc1=O 262730071 DBBYPDLVLZNJMY-HNNXBMFYSA-N 356.422 2.629 0 50 FFAA Cc1nc(N2CCN([C@H]3CCc4ccccc4C3)CC2)c2c(C)noc2n1 77542430 RNRYLNOYJWSIES-SFHVURJKSA-N 363.465 2.914 0 50 FFAA COc1ccc2nc(-c3noc([C@]4(C)CCN(C(C)=O)C4)n3)ccc2c1 371908897 IFTCKRYBSBGWIN-LJQANCHMSA-N 352.394 2.803 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H](O)c3cccc(Cl)c3)CC2)ccn1 77452638 WLJJJOBLBKQIBZ-SFHVURJKSA-N 359.857 2.816 0 50 FFAA Cn1ccnc1[C@H](NCc1ccc(-n2ccnc2)cc1)C1CCOCC1 284418411 DOQQBVKHHDYXTI-LJQANCHMSA-N 351.454 2.863 0 50 FFAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2nc3ccccc3n2C)C1 492907316 NNHWNHKDQXNYOJ-IUODEOHRSA-N 354.376 2.605 0 50 FFAA CC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)nc1C 157976140 GFNRZLCFYNQEKW-FQEVSTJZSA-N 351.450 2.873 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F 72163198 NTNMXGDEGDRIDO-QGZVFWFLSA-N 361.461 2.945 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 237632884 IZZRKIWXQGZWGI-RZSUOQKFSA-N 359.289 2.561 0 50 FFAA CCCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72138692 ATDWNBBCMVDVCB-ZLGUVYLKSA-N 356.466 2.994 0 50 FFAA CCn1nc(NC(=O)Cn2cc(C)c(-c3cnn(C)c3)n2)c2ccccc21 48368516 VYLUDBSUFNVFTL-UHFFFAOYSA-N 363.425 2.600 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@H]1Cn1cccn1 426531882 XZSSAYBRKGXCOP-IBGZPJMESA-N 368.481 2.806 0 50 FFAA CC(C)[C@H](CO)NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1 426473585 LWXRINOLEMUTHP-SFHVURJKSA-N 361.463 2.504 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@H](O)c1ccccc1C(F)(F)F 91997700 OZHMUTJBCNTRDU-HNNXBMFYSA-N 356.388 2.731 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccc4ccccc4c3)CC2)CN1CCO 91460037 HCVOBBMLSNBXGG-UHFFFAOYSA-N 366.461 2.677 0 50 FFAA O=C(Cc1cn2ccsc2n1)NCCCN1CCCc2ccccc21 97243976 YNXRTCWOEINBOQ-UHFFFAOYSA-N 354.479 2.897 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(Cc1cccc3nonc13)CC2 95525298 OTSZBKLMAPUKKA-UHFFFAOYSA-N 366.469 2.705 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 97076826 INIDDUHLEXEEQN-QGZVFWFLSA-N 353.470 2.948 0 50 FFAA COCCc1noc([C@H]2CCCCN2c2nc3c(s2)c(C)nn3C)n1 95516470 VWLANIZIKRTPDD-LLVKDONJSA-N 362.459 2.642 0 50 FFAA Cn1c(=O)c(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc2ccccc21 97674121 OIRSUWZRLQHHBB-KRWDZBQOSA-N 352.438 2.580 0 50 FFAA COc1cccc(N2CCN(CCCOc3ccccc3OC)CC2=O)c1 92021332 YOGCOMHNGQHGRF-UHFFFAOYSA-N 370.449 2.822 0 50 FFAA CC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)CSc2ccc(Cl)cc2)C1 95378930 BKHVLKZMOHYFRA-CVEARBPZSA-N 352.887 2.805 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CC[C@H]1c1ccc(F)cc1 91651502 JJPLOZKFNMOMBI-INIZCTEOSA-N 350.353 2.971 0 50 FFAA O=C(Cn1c(C2CC2)nc2ccccc21)NCCC(=O)Nc1nccs1 97307749 FOMXYCKYJMTTLU-UHFFFAOYSA-N 369.450 2.515 0 50 FFAA CC[C@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)c(Cl)c1 230216047 YWXMVTHNXMXTOM-IINYFYTJSA-N 351.834 2.876 0 50 FFAA Cc1ccc(CN2CCC(CNC3CCN(c4ncccn4)CC3)CC2)o1 95526220 LOJICXQUIVEQFJ-UHFFFAOYSA-N 369.513 2.849 0 50 FFAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1ccc(F)c(Cl)c1 244734908 NNUYEKZTYCFCNH-PHIMTYICSA-N 364.808 2.574 0 50 FFAA Cn1nc2cccc(NC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)c2n1 299780221 RLGHCRPCHWYNGR-OAHLLOKOSA-N 366.425 2.576 0 50 FFAA Cc1ncoc1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 61969713 LYBGLYIMSSICJY-MRXNPFEDSA-N 372.444 2.549 0 50 FFAA CN(Cc1sc2ccccc2c1Cl)C(=O)CN1CCC[C@H](O)C1 299795523 MEXADSUTJKDFHY-LBPRGKRZSA-N 352.887 2.970 0 50 FFAA O=C1C[C@H](C(=O)NCCc2csc(-c3ccncc3)n2)C2(CCCC2)O1 299783825 VFPFMSXTLDGIDJ-OAHLLOKOSA-N 371.462 2.740 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc(C)nc3cc(F)ccc13)CC2 299769101 JALUXUSLGXCZBH-ADLFWFRXSA-N 358.413 2.827 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NCCSC1CCCCC1 299787460 MDSQMOYUEWYVQD-UHFFFAOYSA-N 371.528 2.830 0 50 FFAA COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(O)cc(C)n(C)c1=O 824134518 FSRSSZVUPBQFLC-HNNXBMFYSA-N 352.390 2.643 0 50 FFAA biogenic Cc1cc2occ(CC(=O)NCCSc3nc[nH]n3)c2cc1Cl 827855230 DNPDNGDKMUFTRT-UHFFFAOYSA-N 350.831 2.964 0 50 FFAA COCCc1nc([C@@H]2CCCN(c3ccccn3)C2)n(-c2cccnc2)n1 670461649 SKYHAVPKAIGPPJ-MRXNPFEDSA-N 364.453 2.630 0 50 FFAA COc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)c(OC)c1 1565508183 JVZKILPUJXLDKO-HKUYNNGSSA-N 363.454 2.503 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H](C)n1cnc3ccccc31)OCCO2 952871685 BEPVWXVXKLKWBS-CYBMUJFWSA-N 367.405 2.694 0 50 FFAA Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 272407253 DWMDHZNNWVARFK-AOOOYVTPSA-N 365.384 2.917 0 50 FFAA C[C@@H](C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1cccnc1 275742786 VODKKKNLYMJXTP-AEFFLSMTSA-N 366.465 2.860 0 50 FFAA C[C@H](C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1cccnc1 275742792 VODKKKNLYMJXTP-WMZOPIPTSA-N 366.465 2.860 0 50 FFAA COc1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1F 192937600 KONXILZKWXZFIP-UHFFFAOYSA-N 354.429 2.800 0 50 FFAA Cc1cccc(/C=C/C(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)c1 193440241 RCOHLIUMCFSSAD-MDZDMXLPSA-N 370.474 2.965 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3cc(O)nc4cc(F)ccc34)C2)CCC1=O 1506412905 FWJPWXCCVZZUKI-HXUWFJFHSA-N 371.412 2.554 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3csc(-c4ccccc4)n3)C[C@@H]12 1704343519 DJXDIGNRCWPNJY-YLJYHZDGSA-N 371.506 2.729 0 50 FFAA CO[C@H]1CN(C(=O)c2c(C)oc3c2C(=O)CCC3)C[C@H]1Cc1cc(C)no1 1704351085 FDWBBQXAQZOANW-DYVFJYSZSA-N 372.421 2.733 0 50 FFAA O=C(N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)C1(CO)CC1 1704345338 XMAYTENVRWHMDB-OAQYLSRUSA-N 363.461 2.723 0 50 FFAA CN(C)c1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cn1 1704336770 NIOZDPXPTMYBGF-UHFFFAOYSA-N 357.479 2.913 0 50 FFAA O=C(c1cnc2ccccc2n1)N1CCCN(CCC(F)(F)F)CC1 1772708201 FOAJSSMWCRFKNC-UHFFFAOYSA-N 352.360 2.730 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)NCc1ccc(Cl)cc1 5388139 OGQSFCTUSREFLE-UHFFFAOYSA-N 359.838 2.942 0 50 FFAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCCCC1 5703440 YAZPMCGJMTXAPN-UHFFFAOYSA-N 350.484 2.877 0 50 FFAA O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCC[C@H]1CO 12198992 HATMGAAGSMZQHK-KRWDZBQOSA-N 357.454 2.551 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNC/C(C)=C/c2ccccc2)CC1 12300324 SWFQRQBZKAEGAK-OBGWFSINSA-N 364.493 2.943 0 50 FFAA Cc1nc(CC(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cs1 12439915 LOCSLVZWCRHJDZ-ZDUSSCGKSA-N 363.870 2.565 0 50 FFAA O=C(c1csnn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 12585386 NNXATGVULCADLT-GOSISDBHSA-N 362.499 2.573 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCC(C)C)CC3)CC2)n1 19334299 ODQVZGVAJNCCMM-UHFFFAOYSA-N 372.557 2.839 0 50 FFAA O=C(NC1CCCC1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 169769976 WHPYUJDGJJHGMB-GOSISDBHSA-N 355.394 2.556 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ccncc3F)C[C@]23CC[C@H]1O3)c1ccsc1 1857735945 JZKNQGSIYDOAHF-FCZZECIWSA-N 373.453 2.696 0 50 FFAA Cc1cnccc1N1C[C@@H]2[C@H](CNC(=O)c3ccsc3)[C@H]3CC[C@]2(C1)O3 1875249470 UYHSENLADQPRRG-IXIUHKBRSA-N 369.490 2.865 0 50 FFAA O=C1COc2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4)C3)ccc2N1 122457006 SKXLBCSMZAUDEI-INIZCTEOSA-N 365.433 2.868 0 50 FFAA O=C(O)c1ccc(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)o1 238040648 UFKPWMXNXCLHQK-NSHDSACASA-N 362.769 2.557 0 50 FFAA CCOc1ccc(Cl)cc1CCNS(=O)(=O)N1C[C@H]2CC[C@H]1C2 245908137 MIPWDDXYLYUXGH-WFASDCNBSA-N 358.891 2.600 0 50 FFAA Cc1noc(CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1 365067483 VCPURHZWWLLUKT-LLVKDONJSA-N 370.240 2.763 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)c3cc4cccnc4[nH]3)CC2)c(F)c1 839469295 DKSBTRXHJKIAMS-UHFFFAOYSA-N 366.396 2.867 0 50 FFAA O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CC[C@H](c2cccc(O)c2)C1 1875285330 KBLNXGCRBABUAS-GUYCJALGSA-N 354.381 2.658 0 50 FFAA COCCN(C)c1ccc(CNc2cn(C)nc2-c2ccncc2)cn1 1875262519 VAYWPPYUBWHRTH-UHFFFAOYSA-N 352.442 2.572 0 50 FFAA Cn1cnc(C(=O)N[C@H]2CN([C@H]3CCc4ccc(F)cc43)CC2(C)C)c1 1875406878 OFQYORDTSZHGTN-ROUUACIJSA-N 356.445 2.687 0 50 FFAA CCNc1nccnc1N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 888101542 HYJDCQHNESXWKG-AUUYWEPGSA-N 354.458 2.802 0 50 FFAA COC(=O)c1scc(C)c1NC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 364234637 LOPJMEMSKUGLAS-GFCCVEGCSA-N 358.419 2.932 0 50 FFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2ccccc2)CCCCN1 2100533637 BXSISODZMDKQQQ-LJQANCHMSA-N 357.498 2.674 0 50 FFAA CC(C)c1cccc(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 2325760684 JZWAWDVAIIQGJB-UHFFFAOYSA-N 372.446 2.717 0 50 FFAA Cc1sc([C@@H](C)N)nc1C(=O)Nc1cn(C)nc1O[C@@H](C)C(C)C 2325786421 JWHZABUUUZIODO-ZJUUUORDSA-N 351.476 2.880 0 50 FFAA Cc1c(C(=O)N2CCC3(CC[C@H]3O)CC2)cnn1-c1ccc(F)cc1F 2325803699 WHFOMOQQHNVMGG-QGZVFWFLSA-N 361.392 2.836 0 50 FFAA COC(=O)c1sccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 995264 FPBXZYZCAWGWGK-UHFFFAOYSA-N 351.380 2.813 0 50 FFAA COc1cccc(OC)c1C(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356169774 ZFNOYHXLRIBFQV-HXUWFJFHSA-N 360.454 2.709 0 50 FFAA COc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C)c1C 4272356 IYDRHQVCSOOQIS-UHFFFAOYSA-N 354.516 2.900 0 50 FFAA CCc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)s1 6697394 IUTJCJHEEFRPRY-UHFFFAOYSA-N 374.495 2.533 0 50 FFAA Cc1nnc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccc3n12 55501567 JQVJZXWLMHXRCL-UHFFFAOYSA-N 358.449 2.908 0 50 FFAA CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(N)=O 8784541 KBKLFBGXURBBDL-UHFFFAOYSA-N 356.451 2.916 0 50 FFAA CCCN(C[C@@H]1CCCO1)C(=O)CCCn1cnc2ccccc2c1=O 55281655 CEZVTSNRIRVNKN-INIZCTEOSA-N 357.454 2.594 0 50 FFAA CCCc1nc(CN(CC)Cc2ccc(Sc3nncn3C)o2)no1 55341071 NTJNPSWHKMRWRM-UHFFFAOYSA-N 362.459 2.917 0 50 FFAA CSc1ccc(CN(CCO)CCn2c(=O)oc3ccccc32)cc1 55568848 KFGMGMOULOQJCF-UHFFFAOYSA-N 358.463 2.811 0 50 FFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 409414531 LWEWEGHQDGIYGL-QFBILLFUSA-N 374.529 2.642 0 50 FFAA biogenic Cc1c(Br)cc(C(=O)NCCCN2CCOCC2)c(C)c1C 20149736 IQEYCVLYLPZIAO-UHFFFAOYSA-N 369.303 2.826 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@@H](C)c2ncc[nH]2)co1 67691900 FQRBOMQCMVGHIW-LBPRGKRZSA-N 356.382 2.785 0 50 FFAA O=C(O)c1cccnc1N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67677600 AWKMQJZHIXNDRX-UHFFFAOYSA-N 363.373 2.946 0 50 FFAA c1ccc(-c2ncn(CCc3nnn[nH]3)c2-c2ccc(-c3ccn[nH]3)o2)cc1 67967844 KTJJBATXUVLALW-UHFFFAOYSA-N 372.392 2.956 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCc2nccs2)n1C 328616825 CCJWVVMSQMCZCC-OAHLLOKOSA-N 360.483 2.528 0 50 FFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncnc3cc(F)c(F)cc23)cn1 328621216 HOSFMFNXQAVLIU-CJNGLKHVSA-N 358.352 2.914 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(C)C 77284659 PMBSPPKOYKSKAB-JKSUJKDBSA-N 356.388 2.867 0 50 FFAA OC1CCN(c2ccc(-c3nc(CCc4ccccc4)no3)cn2)CC1 39533258 CNCHYHLQNKBFHI-UHFFFAOYSA-N 350.422 2.878 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Cl)n2ncnc2N1 4987108 HDKFQDVRTCNQPJ-WBMJQRKESA-N 374.828 2.943 0 50 FFAA C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H](OCc2ccncc2)C1 281118276 XGTOEXPGGABJCX-BBRMVZONSA-N 361.392 2.978 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)C)c(C)c1 72437112 SRAWXCCPPZSHER-SJLPKXTDSA-N 366.527 2.788 0 50 FFAA CSc1ccc(CNC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 73866739 DYYGQUJXTMHKQV-QGZVFWFLSA-N 363.527 2.805 0 50 FFAA COc1ccc(CN2CC(N3CCCC[C@@H]3C)C2)cc1Cn1cccn1 72157477 VUKUYJKLRKDTGC-KRWDZBQOSA-N 354.498 2.999 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccccc1-c1nnn[nH]1 72428436 DLNBUHWFJZRWBK-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA CCN1CC2(CCN(S(=O)(=O)c3c(C)cccc3Cl)CC2)CC1=O 77542334 JSUYFKAORRVBJB-UHFFFAOYSA-N 370.902 2.672 0 50 FFAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3ccccn3)C2)c1OC 77338276 ZCYVHZQICDCNJR-MRXNPFEDSA-N 369.465 2.741 0 50 FFAA CC(C)[C@H]1CN(S(=O)(=O)C2CC2)CCCN1Cc1ccc(F)cc1 71747142 VXMRHPVCKKQMMJ-GOSISDBHSA-N 354.491 2.850 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NS(=O)(=O)NCc2ccccc2)cc1 71750624 BTQTVEJWEFQJSV-AWEZNQCLSA-N 359.451 2.648 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 82106445 MLLAXQLTVDVNCQ-ZDUSSCGKSA-N 351.410 2.536 0 50 FFAA COc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)nc(N)n1 82098294 GYIRRNADQBRZLZ-MRXNPFEDSA-N 364.453 2.696 0 50 FFAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CCO[C@@]2(CCCOC2)C1 286325598 LFBPEEUHPLZMAA-FQEVSTJZSA-N 367.405 2.845 0 50 FFAA CCCc1cc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n[nH]1 426470794 IGJHIRAEAOGXBT-CQSZACIVSA-N 367.457 2.846 0 50 FFAA COc1ccccc1NC(=O)C1CCN(Cc2nc([C@H](C)OC)no2)CC1 177653137 FALXYLBEPWAKNI-ZDUSSCGKSA-N 374.441 2.636 0 50 FFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)NCCN1CCCOC1=O 426730250 BBMXAQWFMJJSLH-CQSZACIVSA-N 358.442 2.508 0 50 FFAA CC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 426425198 HZGJQJJLQUNSGQ-KRWDZBQOSA-N 362.433 2.971 0 50 FFAA Cn1c(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc2c(Cl)cccc21 426599542 KETSLQAUBZBSKK-GFCCVEGCSA-N 368.886 2.729 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCCn3c(C)cc4ccccc43)C2)n[nH]1 426478878 JCXUSBAWPQZART-QGZVFWFLSA-N 366.469 2.965 0 50 FFAA Cn1cnnc1SCCNC(=O)N1CC[C@H](c2ccccc2Cl)C1 426623239 OSQVSMBYZQILOV-LBPRGKRZSA-N 365.890 2.760 0 50 FFAA O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H](c1ccccc1)c1ccncc1 97334129 FBERUMCNCJYCRG-OAQYLSRUSA-N 370.416 2.506 0 50 FFAA Cc1ccc2nc(C(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)cn2c1 91624944 POBVBIRZVZPYQI-UHFFFAOYSA-N 369.856 2.649 0 50 FFAA COC(=O)c1cccc(NC(=O)NCC2(Cn3nc(C)cc3C)CC2)c1 96179903 DJZJGLXCICBLGR-UHFFFAOYSA-N 356.426 2.888 0 50 FFAA CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@H]1c1cccnc1 292033729 DPTOHJBBSVQPDJ-OAGGEKHMSA-N 365.499 2.530 0 50 FFAA O=C(COCc1ccccc1)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91460715 DYIVNDPILYKZFG-OAQYLSRUSA-N 356.466 2.597 0 50 FFAA CCc1nccn1CCNC(=O)Nc1cc(-c2nnc(C)o2)ccc1OC 95522976 KNROLADHDWNGIW-UHFFFAOYSA-N 370.413 2.634 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1CCOc2ccccc2C1 97301399 CTCQDGJRPOVQGG-IBGZPJMESA-N 365.477 2.804 0 50 FFAA CSc1ccc(CN(CCO)C(=O)CC[C@@H]2CCCCN2C)cc1 95370924 YFHVLOUSARVTFX-KRWDZBQOSA-N 350.528 2.994 0 50 FFAA O=C(CN1CCC[C@H](c2ccccc2)C1)NCC1(Cn2cccn2)CC1 95379101 LLVOYDUHWBJEMX-IBGZPJMESA-N 352.482 2.659 0 50 FFAA CCC(=O)Nc1cc(NC(=O)NCCn2cc(Cl)cn2)ccc1OC 96130812 YXPILPXXJMYVEJ-UHFFFAOYSA-N 365.821 2.715 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)oc1C)CC2 91536851 WQOTZIQTEPAKTL-UHFFFAOYSA-N 370.453 2.546 0 50 FFAA COc1cccc(-n2cc(CNC(=O)Nc3ccnn3CC3CC3)cn2)c1 95500311 APKJAJGEYVISLQ-UHFFFAOYSA-N 366.425 2.809 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc(-n2cnnc2)c1 91693777 NQSCQASBDBRJRD-HNNXBMFYSA-N 365.412 2.663 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(Cc2cccc(F)c2F)C1 91289145 BAXVZYVKPMPKLA-HNNXBMFYSA-N 372.423 2.718 0 50 FFAA COCCc1noc(CN2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n1 244874753 XGTKENZXMRKQJB-AWEZNQCLSA-N 355.442 2.823 0 50 FFAA Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@@H]2[C@@H](C)O)cc1F 245204395 AOETUOPIFXUJJP-WTLGNFPFSA-N 352.494 2.861 0 50 FFAA Nc1nnc(CCCNC(=O)c2ccc(N3CCCC3)c(Cl)c2)s1 252479762 BMNCYYVHJUNTDN-UHFFFAOYSA-N 365.890 2.737 0 50 FFAA CC1=NO[C@@](C)(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)C1 299775645 LTHMGVZBJRAREW-GOSISDBHSA-N 358.467 2.890 0 50 FFAA O=C(NCc1noc(Cc2cccs2)n1)N1CCC(c2cc[nH]n2)CC1 584888706 AZDYMIPKSSUJOW-UHFFFAOYSA-N 372.454 2.534 0 50 FFAA Cc1cccc([C@H](NC(=O)NCC2(O)CCN(C)CC2)c2ccccc2)c1 584891105 AXESBKDBCJSZMN-HXUWFJFHSA-N 367.493 2.840 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)N[C@H]3CCN(C(C)(C)C)C3)CC2)n1 584893824 QHQLULVCMHMBIV-HNNXBMFYSA-N 363.506 2.955 0 50 FFAA c1ccc(N2CCC(N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N3CCCCC3)CC2)cc1 1565527074 USNNOSBVKMWCAV-LRSLUSHPSA-N 355.526 2.887 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952987298 VYJWHDPXBXGLGZ-FQEVSTJZSA-N 358.401 2.722 0 50 FFAA COc1ccc2c(c1)nc(CNC(=O)N(Cc1cccnc1)C1CC1)n2C 185992051 PFEHMWSYJYFXLG-UHFFFAOYSA-N 365.437 2.851 0 50 FFAA O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 275183895 DSXFCCYBVJEMIJ-XYPYZODXSA-N 365.373 2.875 0 50 FFAA CN1C(=O)CC[C@@H]1C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 170598487 NDKQGCZXJFSIIE-QZTJIDSGSA-N 358.388 2.986 0 50 FFAA Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(S(C)(=O)=O)nc1 170837194 PVOHYUJHOUKOCK-UHFFFAOYSA-N 361.467 2.936 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C[C@H]1CO 189176733 FCMSDVRBNDIPDE-BDAKNGLRSA-N 357.781 2.608 0 50 FFAA Cc1cccc2c1CCN2C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 195244681 RRBATKHRVMETHT-UHFFFAOYSA-N 363.417 2.650 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC(Oc3ncccn3)CC2)c1 1506421262 NVPHKRSYQKCSKX-KRWDZBQOSA-N 368.481 2.814 0 50 FFAA CNc1nc(C(N)=O)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 1529186849 LDBNKCYBVFVUOT-QMMMGPOBSA-N 368.846 2.652 0 50 FFAA CO[C@H]1CN(C(=O)c2ccc(OC(F)F)cc2)C[C@H]1Cc1cc(C)no1 1704280288 YMWJXOOPGHBDCP-CJNGLKHVSA-N 366.364 2.914 0 50 FFAA Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)s1 215307976 VQZRIVMAOHIFFD-QAPCUYQASA-N 358.511 2.835 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CN(CCOCc2ccccc2)CC[C@@H]1O 1704299805 SSTSXEBNNKDJPW-UNMCSNQZSA-N 369.461 2.584 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(Cc2ncc(C)[nH]2)CC1 1775984433 UGILINFWJWIYHP-UHFFFAOYSA-N 356.470 2.855 0 50 FFAA O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Br)cc1 5387869 XKMYIJQYWDMUCN-UHFFFAOYSA-N 374.194 2.905 0 50 FFAA Cc1ccccc1CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002207 RWPQYSBKJBPCOW-UHFFFAOYSA-N 358.463 2.990 0 50 FFAA CCOc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 13668321 CDEXZWWOPCRIAW-UHFFFAOYSA-N 362.451 2.695 0 50 FFAA CC[C@@H](C(=O)NC1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714037 WHJYBRDVMJDXDR-HNNXBMFYSA-N 358.891 2.943 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 14534538 LNXFKAUNTCFICJ-UHFFFAOYSA-N 364.449 2.510 0 50 FFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NC1CCCC1)C2 14751818 VJCZTMVGDWHSCV-QGZVFWFLSA-N 367.497 2.618 0 50 FFAA COc1ccc([C@H]2CC(=O)c3cn4nc(SC)nc4nc3C2)cc1OC 19816489 SDRLUKVAZBWEEZ-LLVKDONJSA-N 370.434 2.776 0 50 FFAA CN(C)C(=O)c1ccc([C@H]2CCCN2Cc2cnn3cccnc23)s1 19939936 XNDGLPLVKHBYRE-CQSZACIVSA-N 355.467 2.830 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCCc2cccs2)CNC3=O)c1 169754530 MFLFYZPUAKNJMS-SFHVURJKSA-N 368.462 2.695 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857711804 MUJXACDTEZLJCG-HXUWFJFHSA-N 368.437 2.730 0 50 FFAA Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2Br)no1 225531125 QZHGFASDYXDIAC-UHFFFAOYSA-N 352.597 2.595 0 50 FFAA O=C(CSc1ccncc1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 216868116 XVMIXSFMWKOQKD-MSOLQXFVSA-N 368.506 2.692 0 50 FFAA Cc1cnccc1NC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 121053621 QNIPVNMGXHKOJU-UHFFFAOYSA-N 372.856 2.962 0 50 FFAA Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCO4)C2)c1 329136975 HIIBQFKYYPIIIZ-MRXNPFEDSA-N 361.467 2.542 0 50 FFAA O=C(O)C[C@@H](NC(=O)Cn1c(O)nc2ccccc21)c1cccc(Cl)c1 776674787 VBIONTDUPBUZKW-CQSZACIVSA-N 373.796 2.728 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1c(C)noc1C)CC2 263065286 VVOAWMSUJRYXJC-AWEZNQCLSA-N 374.393 2.523 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@H](O)c1ccc(F)cc1 161882895 WPIFVLBBWQVEPI-ACJLOTCBSA-N 374.412 2.509 0 50 FFAA CCn1c(CN2CCC[C@@H](c3ccn(C)n3)C2)nc2cc(C(=O)O)ccc21 903631634 PJEMGHSGJJYOFV-OAHLLOKOSA-N 367.453 2.868 0 50 FFAA C[C@]1(O)CC2(CCN(Cc3ccccc3C(F)(F)F)CC2)OC[C@@H]1O 1704302633 QUSSZZREIBBKLW-HOTGVXAUSA-N 359.388 2.572 0 50 FFAA Cn1c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)cc2ccccc21 952890404 STQZEPIEEITQHN-OAHLLOKOSA-N 352.394 2.967 0 50 FFAA Cc1cccc([C@@H](CC(=O)N2CC[C@H](c3cccc(O)c3)C2)NC(N)=O)c1 1875267951 OYRPGNLLFPKCBY-PKOBYXMFSA-N 367.449 2.816 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)[C@@H](C)O)cc1 1875299096 YOMHORNRQNWBST-BZNIZROVSA-N 363.845 2.662 0 50 FFAA CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1ncccc1OCC 1875328046 VZSYXULAQZNXOO-CYBMUJFWSA-N 350.440 2.919 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)C1 1875371824 MSXISKUJTUIRDG-SPSFWMDKSA-N 354.859 2.748 0 50 FFAA COc1nc(C)cc(C)c1CN(C)C(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314789 SOQUGYOKWWWFPF-KGLIPLIRSA-N 372.469 2.735 0 50 FFAA COc1c(Br)cccc1CN[C@H]1CCO[C@@H]1c1cc[nH]n1 888077233 VNVZFKRBWIFYSY-WFASDCNBSA-N 352.232 2.801 0 50 FFAA COc1ccccc1C[C@@](C)(CO)NC(=O)Nc1c[nH]c2nccc-2c1C 2325781722 ANFFVWOHYFEGJC-FQEVSTJZSA-N 368.437 2.947 0 50 FFAA CCC[C@@H](C)CC(=O)N(C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868273 VEANGFGLPFGSCP-CSNJMZFVSA-N 351.535 2.650 0 50 FFAA O=C(NC[C@H](CO)c1ccc(F)cc1)c1cnn(-c2ccc(F)cc2)c1 1451467395 PJCKBAITPJFMAD-OAHLLOKOSA-N 357.360 2.656 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 133361521 QPSQKSOXIPHNTM-CQSZACIVSA-N 369.387 2.656 0 50 FFAA COc1cc(OC)c(NC(=O)CS(=O)(=O)c2ccccc2)cc1Cl 1071916 FZVLAVIPIHZXKA-UHFFFAOYSA-N 369.826 2.770 0 50 FFAA CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1124276 XWISOOCATLZOMD-UHFFFAOYSA-N 374.249 2.648 0 50 FFAA CC1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 2876575 XZGJXCPOLZDQJI-UHFFFAOYSA-N 362.854 2.504 0 50 FFAA COc1ccccc1CC(=O)N1CCC[C@@]2(CCc3cnc(C)nc32)C1 2356159613 JHXOIXWPPMRHJH-OAQYLSRUSA-N 351.450 2.843 0 50 FFAA COc1ccccc1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 6715172 LIHZFXYGXLYPNN-UHFFFAOYSA-N 355.394 2.778 0 50 FFAA Cc1n[nH]cc1CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 225552794 NUHHSMFNGBPMKP-UHFFFAOYSA-N 351.288 2.717 0 50 FFAA Cc1nnc(CCNC(=O)COC(c2ccccc2)c2ccccc2)n1C 225614052 WPLAJUQUEBTKJN-UHFFFAOYSA-N 364.449 2.588 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)C(=O)N1CCCCCC1 55382816 SDXCEHJLSHEYTQ-UHFFFAOYSA-N 356.470 2.665 0 50 FFAA O=C(Nc1nccs1)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101321513 RIMRKDGYTXWJAT-GVARAGBVSA-N 365.414 2.707 0 50 FFAA O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)N1CCCC1)C2 65371614 XUCYOLYEWCDXMZ-UHFFFAOYSA-N 353.426 2.557 0 50 FFAA O=C(c1cc(-n2cccc2)ccc1O)N1CCC[C@H](Cn2ccnc2)C1 67676123 DLZACSPCOZZBTK-MRXNPFEDSA-N 350.422 2.932 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(C)n1 67621811 RCPKNHZGTWBUJP-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA Nc1nc2cc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)ccc2s1 20912793 UYNACYPEAVTNGU-UHFFFAOYSA-N 373.869 2.889 0 50 FFAA COCc1noc([C@@H](C)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 331826067 NFNVTAJIMQJHEH-ZJUUUORDSA-N 359.352 2.899 0 50 FFAA Cc1csc([C@H]2CN(C(=O)N[C@H](C)c3cncc(F)c3)CCO2)n1 332104598 FUMOMNJVXLCJJD-BXUZGUMPSA-N 350.419 2.830 0 50 FFAA C[C@H](CNC(=O)c1ccc2nccnc2c1)c1ccc(S(C)(=O)=O)cc1 1438573882 MQQBMKUWZNJPGE-CYBMUJFWSA-N 369.446 2.567 0 50 FFAA c1ccc(-c2nc([C@H]3CCCN(CCN4C[C@@H]5CC[C@H](C4)O5)C3)n[nH]2)cc1 329495826 XDDHSNMTDMMUQL-GBESFXJTSA-N 367.497 2.514 0 50 FFAA CCc1n[nH]cc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77285564 DJZRRRMSERNSPB-FQEVSTJZSA-N 360.502 2.863 0 50 FFAA CCCOc1c(CN2CCC[C@](O)(CO)CC2)cc(Cl)cc1OC 216361894 FEAHAKXPGKLPNQ-GOSISDBHSA-N 357.878 2.847 0 50 FFAA CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2-n2ccc(C)n2)C1 151119545 JIIOOWPNUPXDDX-MRXNPFEDSA-N 369.469 2.951 0 50 FFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)cc1 331155727 KHRNMYISKDJOSP-DOTOQJQBSA-N 372.490 2.969 0 50 FFAA O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccnn2CC(F)F)CC1 363748344 DUIHBJPZTSXHCU-UHFFFAOYSA-N 363.364 2.589 0 50 FFAA CC1(C)OC(=O)c2c1ccnc2N[C@H](CO)Cc1c[nH]c2ccccc12 364140206 ANPMATCRRUCYHQ-ZDUSSCGKSA-N 351.406 2.984 0 50 FFAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCNC(N)=O)cc12 71736142 MAXGZVVVJNACSC-UHFFFAOYSA-N 368.412 2.957 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)c2cnoc2-c2ccccc2)CC1 216142634 LJVBNUOJLNIONC-UHFFFAOYSA-N 365.389 2.923 0 50 FFAA Cc1cc(C)c(CN2CCN(C)CC2)cc1CN1CCC(CCO)CC1 219773726 LUGJMGHQXSISCT-UHFFFAOYSA-N 359.558 2.645 0 50 FFAA c1ccc2nc(N3CCOCC3)c(-c3nccn3CCn3cccn3)cc2c1 71479532 CIBXFYUZXUADCD-UHFFFAOYSA-N 374.448 2.832 0 50 FFAA O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC(C(=O)O)CC1 238032053 NPZCYDLSIGCBFX-UHFFFAOYSA-N 355.365 2.994 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)[C@H]1C[C@@]12CCc1ccccc12 262965060 IHGRFTOGIMQGAG-SFGWALBWSA-N 363.413 2.768 0 50 FFAA Cc1c(CC(=O)N[C@H](C)CO)c2c(n1Cc1ccccc1F)CCCC2=O 15074597 XEVPRVNCCMJNFO-CYBMUJFWSA-N 372.440 2.542 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77419818 FTGDJYFFDGHBJS-OAHLLOKOSA-N 353.382 2.643 0 50 FFAA COCc1nc(CNc2cc(-c3ccccc3)nc3cc(C)nn23)no1 72462636 WAIFXIBOUXGPFZ-UHFFFAOYSA-N 350.382 2.846 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)NC3CCCC3)C2)CN1Cc1ccccn1 77355022 XFAQPLIYVBGTLO-NRFANRHFSA-N 370.497 2.938 0 50 FFAA Nc1cc(N2CCC[C@@]3(CCC(=O)N(CCc4ccccc4)C3)C2)ncn1 77356291 QPQFUJYYJOAHIB-OAQYLSRUSA-N 365.481 2.511 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)n1 72147358 ZDZFETLNZCDDNK-CYBMUJFWSA-N 364.396 2.552 0 50 FFAA COCCc1noc([C@H](C)NC(=O)Cc2ccc(Cl)c(Cl)c2)n1 220317004 SFKNAPUYQUHTHN-VIFPVBQESA-N 358.225 2.985 0 50 FFAA CN1C[C@]2(CCCN(C(=O)CSc3cn(C)c4ccccc34)C2)OC1=O 426517723 ZRRMNOQEAWKZLG-IBGZPJMESA-N 373.478 2.714 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1O 91586024 RWGOJXCYOAQQTQ-QFBILLFUSA-N 351.450 2.832 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)s1 91769189 TWQPDMNGDCIDIU-QWHCGFSZSA-N 359.403 2.726 0 50 FFAA CCn1ccc(-c2nc(CCOC)nn2-c2ccc3c(c2)CCC3)cc1=O 91596064 GNVJBVJYVWCOFG-UHFFFAOYSA-N 364.449 2.794 0 50 FFAA CC(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 96165282 CZZZVOUAYSHBLX-UHFFFAOYSA-N 357.542 2.666 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)c2cnc(-c3cccs3)nc2O)no1 91616720 DLPSIZSFLCYEPA-UHFFFAOYSA-N 373.438 2.764 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N1CCC(c3ccncc3)CC1)CC(=O)N2 91289388 FWKCHEUDNMSRFX-SFHVURJKSA-N 365.433 2.922 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)cc2o1 91713668 RLRDSGRNLUPDRA-GOEBONIOSA-N 363.421 2.667 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN(Cc2ccco2)C1 95498100 NNZJGSQWXRWRAF-CQSZACIVSA-N 370.428 2.866 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1ccccc1-c1ncc[nH]1 244724261 MQUZJEBUKJLVHV-GMBSWORKSA-N 362.433 2.584 0 50 FFAA C[C@]12C(=O)O[C@H]3CC[C@@H]4[C@H]3[C@@H]1[C@H]1[C@H]4[C@@]3(C)C(=O)O[C@@H]4CC[C@H]5[C@H]2[C@@H]1[C@H]3[C@@H]54 253596352 QKTJEGVAGWMOHM-CIYAURQXSA-N 354.446 2.654 0 50 FFAA CC(C)Cc1noc(CN(C)c2cc([C@H]3C[C@H](N)C3)nc(C3CC3)n2)n1 252537402 LBDQWZDCLSFUGA-HDJSIYSDSA-N 356.474 2.777 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCC3(COc4ccccc4)CC3)C2)n[nH]1 534578489 PBPNAGCOTWUMLN-MRXNPFEDSA-N 369.469 2.861 0 50 FFAA O=C(CCc1cnccn1)NC[C@H](c1ccc(F)cc1)N1CCCCC1 299790469 QLMUJEVRQSLJEB-LJQANCHMSA-N 356.445 2.892 0 50 FFAA COc1cc(NC(=O)NCCNc2ccncc2C)cc(OC)c1OC 299773205 AIBMJWKSYSPDMW-UHFFFAOYSA-N 360.414 2.649 0 50 FFAA CN(C)c1ccc(CCC(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 299761054 UCNDWMHQJWOFDE-UHFFFAOYSA-N 367.493 2.735 0 50 FFAA COc1ccccc1C1CCN(C(=O)NCc2nncn2C(C)C)CC1 670471867 URXSJUVCNJKIEP-UHFFFAOYSA-N 357.458 2.957 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)N1CCC(CO)CC1 246597738 SEXYZMIOMQRCEB-YRWFTTLQSA-N 359.514 2.557 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(OC)c2c(c1)OCO2 275405373 CTZYPIITYRJLIY-YOEHRIQHSA-N 359.426 2.650 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2 275712857 OFEWEELZOJBUJB-SJORKVTESA-N 362.495 2.657 0 50 FFAA Cc1nc2c(c(N3CCN(Cc4nccn4C(F)F)CC3)n1)CCCC2 302041688 IGOZBNQYDYALEU-UHFFFAOYSA-N 362.428 2.578 0 50 FFAA Cc1nc2ncnn2c(Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)c1C 170654427 VMYHBYLCLDYHQT-MRXNPFEDSA-N 367.409 2.581 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccnn1CC(F)F 279628075 BMMUUMQFLLVUFE-LBPRGKRZSA-N 354.788 2.810 0 50 FFAA COCCOc1ccc(CNC(=O)N2CC(C)(C)OC(C)(C)C2)cc1 187855163 MZECEAQNGWAAHS-UHFFFAOYSA-N 350.459 2.811 0 50 FFAA COC[C@H](C)n1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)n1 189872930 MCSKQZPFSSBHMU-INIZCTEOSA-N 372.469 2.960 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c1 1506398446 CWAMZVKYEIMJNF-MRXNPFEDSA-N 357.454 2.659 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)CN1CCc2ccccc2C1 1506412439 DJCZXRRUUUGREO-UHFFFAOYSA-N 352.463 2.708 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)CN1CCCN(C)CC1 1506422171 PEAFAKLSEVTJSL-UHFFFAOYSA-N 372.538 2.618 0 50 FFAA O=C(Cc1cccc(O)c1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704344370 MHKJWUHOAWNVHB-DYESRHJHSA-N 362.429 2.545 0 50 FFAA COc1ccc(Cl)c(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1 11692987 ZPHROCFSESBHFO-UHFFFAOYSA-N 361.764 2.903 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)CCO2)cc1 11821151 WZTZPVRHVRFIQS-HXUWFJFHSA-N 354.450 2.845 0 50 FFAA Cc1[nH]nc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1C 330800929 IWLFMUWSXVJALR-UHFFFAOYSA-N 350.825 2.777 0 50 FFAA COc1ccc(-c2nn3c(N4CCOCC4)cc(C)nc3c2C)cc1OC 23118830 ABNKFWKGBVKVQV-UHFFFAOYSA-N 368.437 2.867 0 50 FFAA C[C@@H]1CCN(c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)ccn2)C1 828303636 VBMLQFRSOUNLEI-KDOFPFPSSA-N 365.433 2.580 0 50 FFAA CCn1ncc(CNCc2cnn(-c3ccc(Br)cc3)c2)n1 839065038 VGNNJEQUSBHOCT-UHFFFAOYSA-N 361.247 2.536 0 50 FFAA COCc1nc([C@H]2CN(Cc3cccc4c3NCC4)C[C@@H]2C2CC2)n[nH]1 952889527 BEVOUBOEUPEZDU-SJORKVTESA-N 353.470 2.545 0 50 FFAA C[C@H]1NC(=O)OC12CN(C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C2 1875299111 ZUGMKIHBDPHDCJ-LLVKDONJSA-N 370.371 2.983 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 1875365878 UBVRYHHGWCQFEX-ZDUSSCGKSA-N 352.356 2.632 0 50 FFAA Cc1ccc(CCC(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cc1Cl 1875403646 XGNBFEUDRAWYLP-KBAYOESNSA-N 361.873 2.733 0 50 FFAA O=C(NC1CC2(CCCN(c3ccnc(Cl)n3)C2)C1)[C@H]1CC1(F)F 1875408383 UYMDIGMTGDDXHO-LOIXOFCESA-N 356.804 2.650 0 50 FFAA CO[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1c1cn(C)nn1 886093949 KUJWJPRVBLOKEN-HNAYVOBHSA-N 356.401 2.829 0 50 FFAA O=C(N[C@@H]1CC12CC(O)C2)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 888951269 MQOBMTZSOVKZNB-CQDXFGNVSA-N 369.383 2.684 0 50 FFAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 915010 CBZGGIZINIXKGZ-INIZCTEOSA-N 353.378 2.625 0 50 FFAA CC1(C)CN(Cc2noc3c2COCC3)C[C@H]1NC(=O)C1CC2(CCC2)C1 2325793953 MKLILSBASHIFRH-GOSISDBHSA-N 373.497 2.654 0 50 FFAA COc1cnn2c1CN(C(=O)c1csc(Cc3ccccc3)n1)CC2 2325796481 TZPGOLJSOUNORX-UHFFFAOYSA-N 354.435 2.595 0 50 FFAA O=C(Cc1ccc(Cl)cn1)NC[C@H]1CCN(c2ccnc(C3CC3)n2)C1 2325825654 YNIQPYUMBHQBEH-CYBMUJFWSA-N 371.872 2.588 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cnc(-c4ccoc4)[nH]c3=N)C2)[nH]c1C 2325858895 GAGIXBOEKNZPNF-ZDUSSCGKSA-N 366.425 2.509 0 50 FFAA O=C1CCc2cc(C(=O)NCc3cccc(-c4ccccn4)n3)ccc2N1 2325867980 KQBOIDRXDSTIIX-UHFFFAOYSA-N 358.401 2.958 0 50 FFAA COc1ccccc1CCNC(=O)C[C@@H](C(=O)O)c1ccccc1OC 1857797684 QPPPRJXAGWYKRM-MRXNPFEDSA-N 357.406 2.621 0 50 FFAA O=S(=O)(NCCSc1ccccn1)c1ccc(Br)cc1 2503369 JHUPMHNHEHMCQG-UHFFFAOYSA-N 373.297 2.915 0 50 FFAA CC(=O)c1cccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 2879849 OUVMSMWSCOXNLI-AWEZNQCLSA-N 374.462 2.533 0 50 FFAA Cc1noc(C)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3374849 LKHYYPKXWOAOHP-UHFFFAOYSA-N 351.409 2.557 0 50 FFAA Cc1cccc2nc(C(=O)N3CCc4nc(-c5ccccc5)nn4CC3)cn12 2356167473 PVUBLKRWODJLKN-UHFFFAOYSA-N 372.432 2.600 0 50 FFAA CO[C@@H]1O[C@@H](COC(=O)c2ccccc2)C[C@@H]1OC(=O)c1ccccc1 4775756 APDHEXOZIKRKSN-FUHIMQAGSA-N 356.374 2.830 0 50 FFAA O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4813690 DLYZLLJNYDDIEK-AWEZNQCLSA-N 362.426 2.865 0 50 FFAA CC(=O)Nc1ccc(N2CCOCC2)c(C(=O)N(C)c2ccccc2)c1 6697852 XLYRSMZBKZJZHG-UHFFFAOYSA-N 353.422 2.758 0 50 FFAA Cc1cc2[nH]cc(C(=O)N(Cc3sccc3C)CC(C)C)c(=O)n2n1 102327657 NHFAPIIYWNHAJR-UHFFFAOYSA-N 358.467 2.999 0 50 FFAA C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCOCC1 24379559 HNTXMUFCILCAJK-MRXNPFEDSA-N 372.440 2.742 0 50 FFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101678771 IWJKHKSYGDAMQI-BPUTZDHNSA-N 369.852 2.892 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 67620768 UIPCTWLNFAIVSW-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA COc1ccccc1-c1cn2c(C(=O)N[C@H](C)CN(C)C)csc2n1 67515104 YZTZVNJCOYAZPQ-GFCCVEGCSA-N 358.467 2.751 0 50 FFAA O=C(CCNC(=O)c1ccc(F)cc1)NCC1(COc2ccccc2)CC1 65533242 PBQIZRSEVCWSPK-UHFFFAOYSA-N 370.424 2.921 0 50 FFAA Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCCCC2)n1 65361977 KRXYETXAKOUUDW-UHFFFAOYSA-N 357.502 2.614 0 50 FFAA Cc1ncc2c(c1-c1noc([C@@H]3CCOC3)n1)CCN(C(=O)C1(C)CC1)C2 23428706 QZADEWCTUMWYCW-CYBMUJFWSA-N 368.437 2.629 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1coc(COc2ccccc2F)n1 67802917 ZEZGUBUXUXMKSZ-OAHLLOKOSA-N 356.353 2.856 0 50 FFAA CCn1cc(CN2CCN(c3nc4c(C)cccc4cc3CO)CC2)cn1 67935391 KNGFRYLUWBYAHX-UHFFFAOYSA-N 365.481 2.574 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 23956040 IJJUWWFXBCHPAE-KRWDZBQOSA-N 354.450 2.603 0 50 FFAA Cc1nsc(NC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n1 20778547 MOZOEPOJGZCKIJ-UHFFFAOYSA-N 357.483 2.554 0 50 FFAA CC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1 252489093 JFFQROOJGXNVNV-UHFFFAOYSA-N 358.486 2.822 0 50 FFAA Cc1cc(=O)n2nc(CN3CC[C@H](Cc4ccc(F)cc4)C3)sc2n1 121355501 SIBSIBPNLJSCQU-CQSZACIVSA-N 358.442 2.663 0 50 FFAA COC[C@H](NC(=O)c1sc(C)nc1-c1ccccc1)c1ccnn1C 65493494 LRYIEKWAQRCMNO-AWEZNQCLSA-N 356.451 2.970 0 50 FFAA COc1cc2ncn(Cc3c(F)ccc(F)c3F)c(=O)c2cc1OC 32534880 UZIVGNXAHMEUAQ-UHFFFAOYSA-N 350.296 2.879 0 50 FFAA C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cc(-c2ccccc2)ns1 475821938 ROJFFKUWXAFVQI-LLVKDONJSA-N 353.469 2.707 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC(=O)N(CC(C)C)C1)CC3 217705914 KWJLEWZQVOGMTC-AWEZNQCLSA-N 369.465 2.566 0 50 FFAA biogenic C[C@H](Oc1ccc(CN2CCC(c3ncn[nH]3)CC2)cc1Cl)C(=O)O 215230441 MDUNHTSBLXLEDA-NSHDSACASA-N 364.833 2.690 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(nc2OC)CCC3)C1 77388339 XCTZEKWDJULCMF-HNNXBMFYSA-N 354.454 2.884 0 50 FFAA COc1cccc2c1OCCCN(c1nc(C)nc3c1c(C)nn3C)C2 72475375 SBBMSKWKPVJFON-UHFFFAOYSA-N 353.426 2.778 0 50 FFAA Cc1nnc2c3ccccc3c(NC3CCC(O)(c4cccnc4)CC3)nn12 367811045 BGEBIMJXZLOMPM-UHFFFAOYSA-N 374.448 3.223 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)cn1 333268080 JZQUILAOSWCKAC-AZUAARDMSA-N 368.481 2.539 0 50 FFAA O=C(CC1CCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)CC1)N1CCCC1 448713619 KXPKOJMFPDDTGY-LJQANCHMSA-N 369.509 2.764 0 50 FFAA CCC(CC)(CC(=O)O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 262035008 BSKVESPKFRATAU-KRWDZBQOSA-N 374.481 2.617 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1C 39412592 HPJNKRQWDKKQKA-OAQYLSRUSA-N 370.541 2.897 0 50 FFAA O=C(c1cccc2ccnn12)N1CCN([C@H]2CCc3ccccc3C2)CC1 72157514 XECOVFPFONYYCF-FQEVSTJZSA-N 360.461 2.650 0 50 FFAA CN(C)C(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 72435726 NFQLIXXBFPUILH-UHFFFAOYSA-N 370.840 2.928 0 50 FFAA Cc1c(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)n[nH]c1-c1ccc(Cl)cc1 72119475 JILSIFMKKRIFLW-GOSISDBHSA-N 374.828 2.753 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H](N)Cc1ccccc1 77287283 UXAIJCKAHUPITP-IBGZPJMESA-N 352.413 2.540 0 50 FFAA CCC1(CC)CCC(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 241869013 STTBTMDUVJJWNU-UHFFFAOYSA-N 367.515 2.882 0 50 FFAA O=C(O)c1ccnc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)c1 263384510 DMGGWUAFTNXPPJ-MRXNPFEDSA-N 358.369 2.740 0 50 FFAA COC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)O)C1)c1cccc(Cl)c1 263337997 MVTVHCQSNDDECV-KYOSRNDESA-N 354.834 2.780 0 50 FFAA CN(C)c1ccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 223315638 QIUHZFIAUCEFIE-UHFFFAOYSA-N 366.509 2.861 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1 47977045 AATJBQLVTBQZNH-LLVKDONJSA-N 354.248 2.781 0 50 FFAA Cc1cnc(CNC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 426556052 UUSOSHBEVDTAPO-OAHLLOKOSA-N 364.453 2.826 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)c1ncnc2sc3c(c12)CCNC3 82137043 NQTJLSPRYWERCU-LBPRGKRZSA-N 368.462 2.613 0 50 FFAA COCCn1cncc1CNC(=O)N(C)[C@H](C)c1nc(C)sc1C 426599492 FNNQIBIJGVRMST-LLVKDONJSA-N 351.476 2.505 0 50 FFAA CC(=O)c1ccc(F)cc1-c1cccc(C(=O)NCCN2CCOCC2)c1 426599588 MGQXSFJFIXYEGA-UHFFFAOYSA-N 370.424 2.757 0 50 FFAA Cc1cc(C)c(OCCNC(=O)c2coc(CN3CCOCC3)c2)c(C)c1 95366500 AWDOTEQMYBKHES-UHFFFAOYSA-N 372.465 2.846 0 50 FFAA CN(CC(=O)O)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 95497351 LZUSFHNQIPKRBO-OAHLLOKOSA-N 358.404 2.976 0 50 FFAA CN(CCC(C)(C)O)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91746771 MDRMJCQTSBMMMK-HNNXBMFYSA-N 366.889 2.698 0 50 FFAA Cc1cc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)ccn1 92078582 AUOVNWJDGUPBCA-UHFFFAOYSA-N 363.469 2.945 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@H](C(=O)O)C1 237604297 KNDRBDVDQSWSEM-LBPRGKRZSA-N 365.792 2.579 0 50 FFAA O=S1(=O)CC[C@@H](c2nc(Cc3cccs3)nn2Cc2ccccc2)C1 96139011 CMMZXENXWJJTIL-OAHLLOKOSA-N 373.503 2.881 0 50 FFAA CC(C)Oc1ccccc1-c1cccc(C(=O)NC[C@H]2CNCCO2)c1 426534447 MDRLXDKTPBCMSX-GOSISDBHSA-N 354.450 2.859 0 50 FFAA COCCCN1CC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)CC1=O 95388683 OFTIGZIMYBLKBY-RBUKOAKNSA-N 370.493 2.668 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)CC3CCCC3)C2)CN1CCc1c[nH]cn1 91327048 QEIOAXFKOXGZSX-NRFANRHFSA-N 372.513 2.764 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)C2CCN(C(=O)C3CCCC3)CC2)n1 95361439 KBNSVRWSPLBFPZ-INIZCTEOSA-N 374.485 2.724 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(c2cccnc2)CC1 95388341 PWZRIHWNIBVCHQ-UHFFFAOYSA-N 362.433 2.936 0 50 FFAA Cc1nc([C@@H](c2cccnc2)N2CCOCC2)n(CCc2ccccc2)n1 95520885 DTFHFNQDSUPDHK-HXUWFJFHSA-N 363.465 2.646 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 91644810 GRCLMTIWDWKSGL-HXUWFJFHSA-N 370.453 2.646 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(CC(C)C)nn1CC)C2 91550966 DXVLGCWJERQXES-DOTOQJQBSA-N 360.502 2.575 0 50 FFAA Cc1ncc(C(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)c(=O)[nH]1 91468626 ZATHAHRWSIYPBT-HNNXBMFYSA-N 355.369 2.762 0 50 FFAA O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@@H](OCc2cccnc2)C1 95386776 WSKMGAMDZVPIAS-QGZVFWFLSA-N 366.421 2.741 0 50 FFAA O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239174380 PXVDFAFAGIMWIF-SYQHCUMBSA-N 360.366 2.542 0 50 FFAA N[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1 237843033 NUPQUAQGCSVEQY-AWEZNQCLSA-N 373.250 2.853 0 50 FFAA O=C(COc1cccc(F)c1)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 91645257 SZKJWMZZDDRCIK-OAQYLSRUSA-N 374.456 2.846 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cc(Cl)c(C)c(Cl)c3)CC2)no1 92107080 ADJNUXXZMASYPS-UHFFFAOYSA-N 369.252 2.951 0 50 FFAA CN1C(=O)Cc2cc(NC(=O)N[C@H]3CCN(c4ccccc4F)C3)ccc21 296955761 CMHFTSAMCPZQQM-HNNXBMFYSA-N 368.412 2.745 0 50 FFAA C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)CO 253498127 OEUSFHQPBGKUNR-VVOFTAARSA-N 364.526 2.929 0 50 FFAA CN(C)c1cccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 252522884 BIVRAMSKAGVQDZ-SLYNCCJLSA-N 366.461 2.930 0 50 FFAA C[C@@H](NC(=O)CCc1ccc(C(=O)O)cc1)c1ccc2c(c1)NC(=O)CO2 299748367 HDBGQBOVQPOKAN-GFCCVEGCSA-N 368.389 2.526 0 50 FFAA Cc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)n1C(F)F 299768509 OABBVDAORPEKOX-MRXNPFEDSA-N 368.472 2.824 0 50 FFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCCOc1cccc2cccnc12 827811794 WALZOUROHQRSAO-KRWDZBQOSA-N 361.401 2.605 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCC[C@H](c4ccncn4)C3)cc2)nn1C 584903797 GDWZAIYZLAEPCL-KRWDZBQOSA-N 362.437 2.600 0 50 FFAA O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)N1CCCC1 670455405 NCWIKZIYAXYLOY-SFHVURJKSA-N 351.516 2.534 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)NS(=O)(=O)c1cccc2ncccc12 1338591995 NECPWCBDHROSMJ-UHFFFAOYSA-N 372.450 2.693 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565513132 JKGYETPHYWOVLI-OALUTQOASA-N 352.434 2.539 0 50 FFAA Cc1cc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)nc(-c2ccccc2)n1 952854533 RPXIZADKSCUEKA-VQTJNVASSA-N 353.466 2.874 0 50 FFAA Cn1cc(C2CCN(C(=O)Nc3ccncc3Br)CC2)cn1 272695795 RSBJNBIBQPOISV-UHFFFAOYSA-N 364.247 2.989 0 50 FFAA Cc1sc2nc(CN(C)[C@@](C)(CO)c3ccccc3)[nH]c(=O)c2c1C 170087228 KVSCQUHUUCATBI-IBGZPJMESA-N 357.479 2.941 0 50 FFAA Cn1cc(N2CCN(CCc3cc(Cl)cc(Cl)c3)CC2=O)cn1 194612791 VTRREDBDTKYZJB-UHFFFAOYSA-N 353.253 2.618 0 50 FFAA C[C@@](O)(CNC(=O)c1coc(C2CCOCC2)n1)c1ccccc1Cl 790075753 NBBZSDVTMUBGJB-GOSISDBHSA-N 364.829 2.860 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 1353040301 WOFZCGHCHCZLCV-RISCZKNCSA-N 372.343 2.747 0 50 FFAA CNc1nnc(Cc2csc(NC(=O)CCc3ccncc3)n2)s1 1529173662 OKSGLYXBEAIWRQ-UHFFFAOYSA-N 360.468 2.593 0 50 FFAA O=C(C1CCN(C2CCCC2)CC1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529173525 XVPYMTQNWWBJHE-NHCUHLMSSA-N 372.509 2.602 0 50 FFAA Cc1cc(OC[C@H](O)CNc2ncc(C)c(N(C)C)n2)ccc1Cl 1529113693 HVKYHWMKJVLNMQ-CYBMUJFWSA-N 350.850 2.665 0 50 FFAA Cc1nccnc1N1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 1772812824 PQUAIFNYQUNKIW-GOSISDBHSA-N 350.466 2.944 0 50 FFAA Cc1cccc(CN2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 12308806 ICMDQUTVTYLKSM-LJQANCHMSA-N 373.522 2.722 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1 12322264 OGUILPGOSXJOMH-UHFFFAOYSA-N 356.773 2.526 0 50 FFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccoc2)CC1 12702910 NSBDZRWPQOYDKV-SFHVURJKSA-N 361.486 2.513 0 50 FFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)no1 19079840 MCRQOYBJRIPKPD-GFCCVEGCSA-N 350.425 2.514 0 50 FFAA CCN1CCC[C@H](n2ccnc2-c2ccc(OC)c(Cn3cncn3)c2)C1 1857672069 HSNNJPIBEPCBLX-SFHVURJKSA-N 366.469 2.855 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCc1nc2ccccc2nc1OC 1857678341 DSWBFOIPRMGJAG-HLLQZAQXSA-N 369.465 2.723 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(=O)c1sccc1Cl 1857687778 DNEMNDQJNSLPIA-IACUBPJLSA-N 370.902 2.937 0 50 FFAA Cc1cccc(CN2CCOC3(CCN(c4nccs4)CC3)CC2=O)n1 1857694826 JSQAKAFHDHWHBB-UHFFFAOYSA-N 372.494 2.635 0 50 FFAA CCC[C@@]1(CO)CN(c2ncnc(Oc3cccnc3C)c2C)CC[C@H]1O 1857725036 STLRPMZYLVFVHO-XLIONFOSSA-N 372.469 2.631 0 50 FFAA CC[C@H](NC(=O)c1ccc2sc(=N)[nH]c2c1)c1cn2cccnc2n1 1857733119 WCAHPNOUXQRCOA-NSHDSACASA-N 352.423 2.633 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@@H]1O 209965394 CQOFJTCCQFJEBV-WFASDCNBSA-N 360.483 2.543 0 50 FFAA COC(=O)c1c(Cl)ccc2cnn(CC(=O)NCc3ccccc3)c12 225825962 DSOFLNSKKZDGSB-UHFFFAOYSA-N 357.797 2.793 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCNC[C@H]2C)cc1OC 125117236 IUPQDFOCKPZELA-LLVKDONJSA-N 371.275 2.680 0 50 FFAA CC(=O)N1CC[C@@H](C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)C1 332137638 DJBZEVMGHYROKC-SNVBAGLBSA-N 367.236 3.190 0 50 FFAA CC(C)(C)N1CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc21 248714649 JXYOJLBJZRRFOJ-MRXNPFEDSA-N 365.543 2.783 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(COc3ccccc3)cc2)CCO1 262828147 RTILCCQGDFPWCZ-SFHVURJKSA-N 355.390 2.581 0 50 FFAA CCCN(C(=O)N[C@H](C)CS(C)(=O)=O)[C@H](C)c1ccccc1OC 265021317 MDRPNKNSYRAIPB-ZIAGYGMSSA-N 356.488 2.611 0 50 FFAA Cc1c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)oc2c(C)cccc12 952889033 PSIRJBAZFSXMIA-HUUCEWRRSA-N 354.410 2.812 0 50 FFAA CCCc1c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cnn1C 1875253898 CBBMZNKBIOZEHV-UHFFFAOYSA-N 358.461 2.860 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@H]1C(F)(F)F 886038116 CUALVSUFEYXACC-MFKMUULPSA-N 350.287 2.636 0 50 FFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 20281462 OYHSEVQQCVZAME-UHFFFAOYSA-N 369.782 2.626 0 50 FFAA CN(CCN(C)C(=O)Cc1cc(C2CC2)on1)C(=O)CCC(C)(C)F 2325867378 UIUNCHIOIBXYHP-UHFFFAOYSA-N 353.438 2.540 0 50 FFAA CCN1Cc2ccccc2[C@H](N=c2ccc3nnc(C(C)(C)C)n3[nH]2)C1 2325868436 ZFPHLYNEHGZABY-MRXNPFEDSA-N 350.470 2.832 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](O)CC23CCCCCC3)cc1 2325887856 AFCQJTGBYYPRIO-SFHVURJKSA-N 356.466 2.789 0 50 FFAA COc1cc(OC)cc(-c2nnc(SCc3n[nH]c4c3COCC4)o2)c1 901366546 VHOWMJIDXRPLRS-UHFFFAOYSA-N 374.422 2.842 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)cc1 625742 AEPDYJNMXRUUTP-QGZVFWFLSA-N 353.378 2.667 0 50 FFAA COc1cccc([C@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1OC 805071 YMOKJTDZIVKLGT-CYBMUJFWSA-N 366.464 2.876 0 50 FFAA CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 1069082 RXPRRQLKFXBCSJ-GIVPXCGWSA-N 354.450 2.953 0 50 FFAA biogenic,in-man CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 1160853 KUHKRAKDPLULPB-UHFFFAOYSA-N 366.870 2.619 0 50 FFAA CCOCCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1775276 NFVMGWKOORQLNW-NWDGAFQWSA-N 364.467 2.724 0 50 FFAA CCCCc1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1 2877763 KJDRACUQXYRYIQ-UHFFFAOYSA-N 367.496 2.824 0 50 FFAA Cn1ccc2ccc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)nc21 2356148300 PVFFBGABQBBKCJ-IBGZPJMESA-N 363.465 2.925 0 50 FFAA C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3465422 AUPPKYXSZYESSX-ZDUSSCGKSA-N 366.870 2.838 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356150867 CVYGHCFUGSYJIX-LJQANCHMSA-N 362.857 2.734 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cn3c(C)cc(=O)c4ccccc43)C[C@H]21 2356164320 OHRJOTBIMBFRBQ-CECAUBDESA-N 368.477 2.710 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 4535148 ZOAYUUIHCGURAY-UHFFFAOYSA-N 371.422 2.764 0 50 FFAA COC(=O)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 4839591 LCMZCLBCOZOXGR-UHFFFAOYSA-N 360.797 2.690 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c(C)c1 65363462 VJLDORPRDBZZPK-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](Cn3cc(C4CCCC4)nn3)C2)nc(C)n1 55073648 FVPTWTDVWBUPRQ-INIZCTEOSA-N 368.485 2.895 0 50 FFAA CCc1nc(C)ccc1OCc1nc(-c2c(C)ncc3c2CCNC3)no1 20779632 QMCBAOISBXJMFP-UHFFFAOYSA-N 365.437 2.931 0 50 FFAA CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 6778016 KBHLXKOKUVJZIS-YRXWBPOGSA-N 370.486 2.878 0 50 FFAA in-vitro Cn1cnnc1SCCNc1ncc2c(n1)CCN2c1ccccc1 65370799 DTXOPPUWWUOLEE-UHFFFAOYSA-N 353.455 2.504 0 50 FFAA CC1=C(C(=O)N(Cc2ccccc2)Cc2nccs2)[C@H](C)NC(=O)N1 67818971 QYHMPAHQBXLYPR-LBPRGKRZSA-N 356.451 2.647 0 50 FFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccccn2)noc1=O 229753761 LYSCTYKOPBKDJS-FMKPAKJESA-N 359.426 2.902 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 121201657 VCUWSXYYKJXOQT-WOIUINJBSA-N 370.493 2.640 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 122246135 MMNXZEZOPOXASA-BZSNNMDCSA-N 371.525 2.977 0 50 FFAA CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1400860 VZVRZIGXOJGMNA-UHFFFAOYSA-N 352.843 2.624 0 50 FFAA Cn1nc(NC(=O)Cc2ccsc2)c2c(N3CCOCC3)cccc21 72429085 ZAOUGAJXZYBVKF-UHFFFAOYSA-N 356.451 2.653 0 50 FFAA COc1ncc(CN2C(=O)[C@]3(CCCCc4ccccc43)N=C2O)c(C)n1 328832907 RQMDTPLJOSIAAE-HXUWFJFHSA-N 366.421 2.672 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)o1 215244204 PRWSYTUCQTZWJJ-UHFFFAOYSA-N 369.446 2.910 0 50 FFAA COc1ccccc1C(=O)N1CCN(Cc2ccnc(C(C)C)n2)CC1 72158070 UFEICIBLYFORPX-UHFFFAOYSA-N 354.454 2.567 0 50 FFAA O=C(COCc1ccccc1)N1CCC2(CC1)c1ccccc1C[C@H]2O 72157114 XAIZEJFCINBDNQ-HXUWFJFHSA-N 351.446 2.681 0 50 FFAA CCc1nccc(CN2CCC(Oc3cccc(C)c3)(C(=O)O)CC2)n1 72479823 QVJROEVUXPGIQJ-UHFFFAOYSA-N 355.438 2.846 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 77379509 JBKNNEJHOTVTQD-MRXNPFEDSA-N 364.449 2.956 0 50 FFAA CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 376704759 BXABLBUAVNYAMA-HNNXBMFYSA-N 362.396 2.528 0 50 FFAA Cc1nnc2n1CCC[C@@H]2N1C(=O)CN(Cc2ccc(Cl)cc2)C1=O 369797588 WQHBMPKKDSCLAY-AWEZNQCLSA-N 359.817 2.539 0 50 FFAA CCOC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)CC1 72476111 OSPFTFSNFIOKFA-UHFFFAOYSA-N 365.437 2.983 0 50 FFAA COc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc(OC)c1 72154890 BIAFFTRPQFBCDF-RTWAWAEBSA-N 368.477 2.612 0 50 FFAA CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc3nccnc3cc2F)C1 373405115 SORGENDFRVLDDJ-AWEZNQCLSA-N 350.397 2.902 0 50 FFAA Cc1noc(C)c1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71753984 UDMFRWMDYFDYKA-GOSISDBHSA-N 374.529 2.590 0 50 FFAA CC(C)c1nc([C@H]2CCCN2C(=O)c2ncn(-c3ccccc3)n2)no1 157962222 HTATVJSPNWCZIT-CQSZACIVSA-N 352.398 2.751 0 50 FFAA CC(C)[C@H](C(=O)N1CCn2nc(CCC(=O)O)cc2C1)c1ccccc1 72479342 IIEKNPSKJVZUSS-IBGZPJMESA-N 355.438 2.682 0 50 FFAA O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCC(c3cnc[nH]3)CC2)C1 378068842 AMLDRQVRSHTOOL-SFHVURJKSA-N 366.465 2.668 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2S(=O)(=O)N(C)Cc2ccccc2)n1 77421789 OAUMXOAUUMYDNK-HNNXBMFYSA-N 364.471 2.707 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)CC[C@H](C)N2CCOCC2)CC1 219713374 ROZQZNQDCNURKD-IBGZPJMESA-N 359.514 2.535 0 50 FFAA O=C(Cc1ccc(N2CCNC2=O)cc1)N1CC[C@H](c2ccccc2F)C1 77286998 PQPYOMAPXRTHAB-INIZCTEOSA-N 367.424 2.914 0 50 FFAA Cc1cc(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)cc(C(N)=O)c1 455813529 OUMXPUHKRNQQSN-LJQANCHMSA-N 367.449 2.998 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H](C)c1cn2ccsc2n1 222265104 YNLDISSERIUNSV-CYBMUJFWSA-N 366.446 2.897 0 50 FFAA O=C(O)COCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 17076586 USTWKKTUXCRUPB-UHFFFAOYSA-N 374.418 2.529 0 50 FFAA C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(-n2cccn2)cc1 175418562 UGEICTRZDXSEGN-CQSZACIVSA-N 363.421 2.532 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC([C@@H](O)c3ccccn3)CC1)OCCO2 222652051 ZEMLNIDNYHLUTA-HXUWFJFHSA-N 368.433 2.747 0 50 FFAA Cc1ccc(OCC(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1C 82107157 KBIFAIIFEUFKQJ-UHFFFAOYSA-N 352.434 2.866 0 50 FFAA CCCN1CCC[C@H](NC(=O)N2CCCOc3c(cccc3OC)C2)C1 426485526 GFRKABKKVSMUHI-KRWDZBQOSA-N 361.486 2.864 0 50 FFAA CCOc1cc(C)c(CN2CCn3nc([C@@H](O)CO)cc3C2)cc1C(C)C 221160683 JFDLHHFYIMUHAX-FQEVSTJZSA-N 373.497 2.755 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC3CCN(c4cnccn4)CC3)n[nH]2)cc1 426733998 KMQNBESPVYYQEG-UHFFFAOYSA-N 362.437 2.574 0 50 FFAA C[C@H](CNC(=O)N(C)Cc1ccc2c(c1)CN(C)C2)Oc1cccnc1 426632959 XQRQTHBQGHIBLV-OAHLLOKOSA-N 354.454 2.636 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCC[C@@H]1c1n[nH]c(C)n1)c(C)n2C 426431064 PRRBLJUSAWQRSI-MRXNPFEDSA-N 353.426 2.899 0 50 FFAA CSc1cccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 82134476 MAGGIJTZHPIFLX-UHFFFAOYSA-N 353.447 2.846 0 50 FFAA O=C(NCc1noc(C2CCCC2)n1)c1cc(-c2ccccc2O)n[nH]1 92046816 OXGODOYTBSHXDI-UHFFFAOYSA-N 353.382 2.753 0 50 FFAA Cc1nnc(-c2ccc(C)c(NC(=O)NCCCc3nnc(N)s3)c2)o1 96166455 TYNSMVBZFNWKST-UHFFFAOYSA-N 373.442 2.541 0 50 FFAA Cc1nccc(C2CCN(C(=O)NC[C@H]3CCCN(C(C)C)C3)CC2)n1 426510320 YQUYZXGZZSPRDB-QGZVFWFLSA-N 359.518 2.794 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N(C)Cc1ccc2c(c1)OCO2 97394148 VCDALDAGKGMQFY-UHFFFAOYSA-N 362.389 2.848 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1=O 95508680 YGIHYWOLKDBOMS-GFCCVEGCSA-N 353.850 2.989 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@H](C(=O)c3ccccn3)C1)CCC2 91503694 JXJQFUUIKXELOW-HNNXBMFYSA-N 365.433 2.709 0 50 FFAA CCNC(=O)CCN1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 426604299 MGQDARTWRZAIMC-NRFANRHFSA-N 363.546 2.798 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1ccc3c(c1)nc(C)n3C)C2 91966630 MNAPZJAXYNGSJU-MRXNPFEDSA-N 365.433 2.758 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 97729710 UFHZJSRNGXUSFH-JTQLQIEISA-N 351.313 2.804 0 50 FFAA C[C@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1cccc(Cl)c1)CC2 91745843 YTVYXUBPESZUNV-AWEZNQCLSA-N 364.873 2.566 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2cccnc2)C3)cc1 91255308 NYRLCYXXSJUHNI-VQTJNVASSA-N 365.477 2.756 0 50 FFAA COc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)o1 95375437 XUBKMBDJCIHPRB-PWIZWCRZSA-N 368.433 2.696 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 92062325 PQKSHHHXPIRNQK-CQSZACIVSA-N 374.393 2.623 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2n[nH]c(C)c2C)C[C@H]1C(=O)O 91965879 WPZFLMWPDNZFJJ-DLBZAZTESA-N 355.438 2.594 0 50 FFAA Cc1cnccc1NCCNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91644978 XJNZHKLVDNNIEI-GOSISDBHSA-N 372.513 2.737 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC(Cn3ccnc3)CC2)o1 97272432 PABQMMXCPUMETB-UHFFFAOYSA-N 358.471 2.668 0 50 FFAA Cc1ccc(Cl)c(C(=O)N2C[C@@H](CO)C[C@H](CN3CCCC3)C2)c1 91665548 KRYJXJHPDCPFGV-CVEARBPZSA-N 350.890 2.815 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 92097345 SNCBANKAUPZFRU-AWEZNQCLSA-N 368.466 2.506 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1C 244883987 YDDQMIUEQFLYNF-LLGFUMIMSA-N 369.465 2.522 0 50 FFAA COCCCN1CC[C@H](CNC(=O)Nc2ccc3nc(C)c(C)nc3c2)C1 243932716 BYIPQNKSUHFJDJ-MRXNPFEDSA-N 371.485 2.727 0 50 FFAA COCc1nnc(NC(=O)COc2cccc3c2ccn3C(C)C)s1 252493619 NEOPBOOGCJUSOT-UHFFFAOYSA-N 360.439 3.238 0 50 FFAA O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1cnc([C@@H]2CCCO2)s1 182445894 WTLWEJANOIBNFY-LBPRGKRZSA-N 360.370 2.623 0 50 FFAA Cc1ccc(-n2nc(C)c(CC(=O)N3CC[C@@H](CN)C3)c2C)cc1Cl 299739157 LGMYQFMRBNXIGF-HNNXBMFYSA-N 360.889 2.801 0 50 FFAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1 299751515 QUIZVTDJLVCMFC-HERUPUMHSA-N 365.886 2.672 0 50 FFAA CC(C)n1cc([C@@H]2CN(C(=O)c3cccc4[nH]ccc34)C[C@H]2CO)cn1 299744125 NPHXWZUZXNVVMW-YJBOKZPZSA-N 352.438 2.793 0 50 FFAA COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ccc(OC)c(C(=O)O)c2)c1 299752556 UOQSGCROFATVFO-CVEARBPZSA-N 355.390 2.822 0 50 FFAA Cc1ccc(CNc2ncnc3sc(C(=O)N[C@H](C)CO)c(C)c23)o1 299787222 UBCJHUUYDSPXCZ-SECBINFHSA-N 360.439 2.624 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)NC[C@H]1CNCCO1 299765778 AOYPBUTZOLFKDE-CQSZACIVSA-N 357.410 2.597 0 50 FFAA Cc1c(NC(=O)NCCc2noc([C@@H]3CCCO3)n2)cc2[nH]cnc2c1C 299792515 FVHDKICNHGCQMU-AWEZNQCLSA-N 370.413 2.778 0 50 FFAA CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2cccc(C)n2)cc1 299766008 ZGHIPLPJWRAKQW-AWEZNQCLSA-N 361.467 2.513 0 50 FFAA CCN(Cc1cccc(OC)c1OC)c1cc([C@H]2CCOC2)nc(N)n1 299785529 UCERXRFOKGYYNV-AWEZNQCLSA-N 358.442 2.606 0 50 FFAA O=S1(=O)CC[C@@H](CCN(CCc2ccccc2)Cc2cccnc2)C1 683223593 PBRBWWJMAKICTE-LJQANCHMSA-N 358.507 2.951 0 50 FFAA Cc1ccc(C(=O)[C@H](C)Oc2ccc(CN3CCNC(=O)C3)cc2)cc1 952967580 MJLUVFSQJOHCJU-INIZCTEOSA-N 352.434 2.577 0 50 FFAA Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 272407259 DWMDHZNNWVARFK-UWVGGRQHSA-N 365.384 2.917 0 50 FFAA CCCc1ncc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)s1 275371450 NXUTZOCQXLNRJQ-LLVKDONJSA-N 350.444 2.816 0 50 FFAA Cc1cccc(C2(C(=O)N3CCC(c4nnc(S)n4C)CC3)CC2)c1 170622076 PHFLMBLFIQJZMX-UHFFFAOYSA-N 356.495 2.850 0 50 FFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C1 190437072 CZZBKGFFDQPDGU-MRXNPFEDSA-N 368.437 2.796 0 50 FFAA CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)COc1ccc2c(c1)CCC(=O)N2 741751907 IPNCSJKRPZRPSZ-GDIGMMSISA-N 359.422 2.697 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1704353173 SMGRLPFWSWKCBU-WOJBJXKFSA-N 368.477 2.773 0 50 FFAA CC1(C)CNC(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)NC1 1772805021 GMABFQXBIPYMHY-UHFFFAOYSA-N 369.431 2.786 0 50 FFAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1Cc1ccccc1 13685545 SOUADVSQTZQWNI-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19770356 HVXPCGOHBRRLOW-UHFFFAOYSA-N 368.433 2.948 0 50 FFAA COc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)c(OC)n1 169762142 FABJKVWYIFBCTG-GFCCVEGCSA-N 372.425 2.797 0 50 FFAA O=C(C1CC1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 169777565 WTXRESKNFZSBTL-UHFFFAOYSA-N 364.409 2.569 0 50 FFAA CNC(=O)CN1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857690401 ATMLYSUKJMFLIA-HXUWFJFHSA-N 373.541 2.694 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 237950196 XKSDOHVVBHPKBG-LBPRGKRZSA-N 370.243 2.931 0 50 FFAA CCOc1nc(C)ccc1C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 242339368 ZHGSKNAJYOCNRY-UHFFFAOYSA-N 371.437 2.725 0 50 FFAA C[C@@H](CN(C)C(=O)c1cc2cccc(C(F)(F)F)c2nc1O)C(=O)O 901654273 YBCGQNSPIXNRPP-QMMMGPOBSA-N 356.300 2.752 0 50 FFAA Cc1ccccc1C[C@@H](C)C(=O)NS(=O)(=O)c1ccnc(Cl)c1 860641158 COLKPOZBUXGGSC-GFCCVEGCSA-N 352.843 2.727 0 50 FFAA Cn1cc(C[C@H]2CCC[C@H]2NS(=O)(=O)c2ccc3cnccc3c2)cn1 1875312561 OQFVFZZKBYLEFL-VQIMIIECSA-N 370.478 2.658 0 50 FFAA C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1cnn2ncccc12 1875407612 DXZRZFFSNYNCRI-YCPHGPKFSA-N 356.451 2.685 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875403669 XZFFSKKIFLHQGM-DAXOMENPSA-N 367.371 2.780 0 50 FFAA CN(C)C(=O)C1CCN(c2nc3cc(Br)ccc3o2)CC1 891512061 GTWBRIAYVHOODL-UHFFFAOYSA-N 352.232 2.895 0 50 FFAA CC(C)CCC(=O)N1CCCCNC(=O)C[C@@H]2CCCCN2CCC1 2100533529 TYTLSYNWASWYLQ-SFHVURJKSA-N 351.535 2.796 0 50 FFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(CCc2ccccc2)C1=O 2890052 GTRIENYMHDKNML-INIZCTEOSA-N 355.415 2.847 0 50 FFAA CCc1ccc([C@H]2CN(C(=O)c3cnn4cc(OC)ccc34)CCN2)cc1 2325755803 XAKHYVVCZXIQNZ-LJQANCHMSA-N 364.449 2.692 0 50 FFAA O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)N[C@@H]1CCC[C@@H](OC(F)F)C1 2325766446 UCUUPTVREZQZBN-MVTQWGDUSA-N 366.364 2.697 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCN[C@H]([C@H]4CCCO4)C3)cc2)c1C 2325795339 AUDUJZFNXIWKJB-LSTHTHJFSA-N 368.481 2.975 0 50 FFAA Cc1nc2ncccc2cc1CCC(=O)N1CCN[C@@H](Cc2ccccc2)C1 2325805096 OYQZZIUCGBFYHS-NRFANRHFSA-N 374.488 2.914 0 50 FFAA C[C@H](CCc1ccccc1F)NC(=O)c1ccc(-c2nc(=O)o[nH]2)s1 2325821942 OJZOFKSHEYZEEH-SNVBAGLBSA-N 361.398 2.982 0 50 FFAA CN(Cc1cccc2cccnc12)C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 2325858840 CMFKKNOFEYHERZ-GOSISDBHSA-N 374.444 2.719 0 50 FFAA COc1ccnc(-c2nc(-c3cccc4nc[nH]c34)n([C@H]3CCOC3)n2)c1 2325863162 XVTOPGQPVFMAMO-LBPRGKRZSA-N 362.393 2.853 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C 928390899 YZKUYAAMOPDFEV-LBPRGKRZSA-N 354.372 2.843 0 50 FFAA O=C1c2ccccc2C(=O)N1OCC[n+]1ccc(Cc2ccccc2)cc1 638168 OTCSDLJVDHPSFN-UHFFFAOYSA-N 359.405 2.793 0 50 FFAA COc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 686680 UKAZHRMYRPVMJF-UHFFFAOYSA-N 374.510 2.956 0 50 FFAA CCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 900109 ZJEHFZGBHSPLND-UHFFFAOYSA-N 372.490 2.851 0 50 FFAA COC(=O)Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 1108509 IGOKQVKFIWMXSY-UHFFFAOYSA-N 358.419 2.617 0 50 FFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 1162525 BOAVWNOODJQXIG-OAHLLOKOSA-N 366.236 2.948 0 50 FFAA CCSCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C 2880975 FZXYSISMNKHYCU-UHFFFAOYSA-N 352.485 2.808 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(Cc2cc(O)nc(C)n2)CC1 2356145446 CJENXMSZROKANV-UHFFFAOYSA-N 355.438 2.563 0 50 FFAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1cc(=O)c2ccccc2[nH]1 2356169840 IWOPWBVHYFWBRU-NRFANRHFSA-N 351.450 2.648 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(F)c2)c1 6697444 OYRSWINBGFFUHX-UHFFFAOYSA-N 358.369 2.701 0 50 FFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6726759 CMRMAQFDMFBWPC-IRXDYDNUSA-N 362.857 2.651 0 50 FFAA O=C(NCc1nc(-c2ccccn2)no1)c1ccc([C@@H]2CCCN2)s1 20212249 AEFHRDKYTKAMOT-NSHDSACASA-N 355.423 2.548 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCN(CC(C)C)[C@H](CCO)C2)cc1 104532537 GMMLJRHRHJCJAU-LJQANCHMSA-N 372.513 2.610 0 50 FFAA C[C@H]1CCCCN1c1ccc(C(N)=O)cc1NC(=O)c1ncccc1O 55224723 BUFFDFVGGRSSBG-LBPRGKRZSA-N 354.410 2.517 0 50 FFAA Cc1ccccc1-c1cn[nH]c1C1CCN(c2cncc(C(N)=O)n2)CC1 67472955 XEPMAZOJNGYIJO-UHFFFAOYSA-N 362.437 2.658 0 50 FFAA Cc1sc(-n2cccc2)c(C(=O)N2CCC3(CC2)CNC(=O)C3)c1C 65453515 GUXXXXKZHMWBCA-UHFFFAOYSA-N 357.479 2.898 0 50 FFAA Nc1nc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)cs1 67967964 ZVKDFKVMMILYSC-UHFFFAOYSA-N 366.349 2.501 0 50 FFAA O=C(/C=C/c1c[nH]cn1)N1CCC(n2cc(-c3ccsc3)nn2)CC1 20539663 RPHLHMDWAPVMHG-OWOJBTEDSA-N 354.439 2.607 0 50 FFAA O=C(COc1cccnc1)NCc1cccnc1N1CCc2ccccc2C1 67458606 UYPXUFIRYDELRG-UHFFFAOYSA-N 374.444 2.735 0 50 FFAA O=C1CN(C(=O)c2ccc(-c3ccc(Br)cc3)s2)CCN1 31223525 BYPOJDYRSJFLRP-UHFFFAOYSA-N 365.252 2.750 0 50 FFAA Cn1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cn1 999955 MAPYYTNDSCCYEZ-LLVKDONJSA-N 360.483 2.984 0 50 FFAA Ic1ccc2ncnc(NC[C@@H]3CCCO3)c2c1 955133 OFQHMANPGXASJM-JTQLQIEISA-N 355.179 2.825 0 50 FFAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 1401374 WACRFLAKSPAKGP-JTQLQIEISA-N 356.806 2.785 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@@H](O)c2ccccc2)[C@@H]1c1cnn(C)c1 328629238 IAKGOUWWALWHND-CEWLAPEOSA-N 356.514 2.859 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc([S@](C)=O)cc2)n1C 328655151 YBXKVDHBZDVREH-DWXRJYCRSA-N 373.522 2.849 0 50 FFAA Cc1cc(=NC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)cc[nH]1 328651798 WAYJQKQXGMKYHH-INIZCTEOSA-N 371.510 2.787 0 50 FFAA CN(C)C[C@@H]1COCCN(Cc2cc(CN3CCCCC3)cs2)C1 215124157 IFLGXFMOSCGLFZ-SFHVURJKSA-N 351.560 2.744 0 50 FFAA O=C([C@H]1Cc2cc(Cl)ccc2N1)N1CCOc2ccc(CO)cc2C1 216230296 COFZJJDPWOBXED-QGZVFWFLSA-N 358.825 2.590 0 50 FFAA C[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2 504327875 ADAKLAQOERSRLR-OAHLLOKOSA-N 368.433 2.785 0 50 FFAA CC(C)[C@H](C(=O)Nc1nnc(C(C)(C)C)s1)N1C[C@@H](C)O[C@H](C)C1 330655365 KRRSFKCOSVMTCP-JHJVBQTASA-N 354.520 2.908 0 50 FFAA O=C(NCc1nccn1C(F)F)[C@H]1CCCCN1C(=O)c1ccccc1 363482941 CDNJSWOQYGOZRP-CQSZACIVSA-N 362.380 2.589 0 50 FFAA O=C1[C@H](N2CCN(c3ccnc4ccncc34)CC2)CCN1c1ccccc1 333304661 ICOPLNNLOJEKBD-OAQYLSRUSA-N 373.460 2.557 0 50 FFAA CO[C@@H](C)c1noc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 261778418 PGUMPWHCBQIEQC-DZGCQCFKSA-N 362.499 2.983 0 50 FFAA O=S1(=O)CCC(CN2CCC[C@H](OCc3ccccc3F)C2)CC1 373405787 PDWOLOVZQJGRGR-KRWDZBQOSA-N 355.475 2.632 0 50 FFAA CN1CCC(CNC(=O)[C@H]2CCOc3ccccc32)(N2CCCCC2)CC1 172751238 JSXMYOXJKSSLIA-IBGZPJMESA-N 371.525 2.619 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)CCOc1ccc(C)cc1 284672489 HSTNNURPYBOANG-QZTJIDSGSA-N 357.454 2.826 0 50 FFAA O=C(Nn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3)c1cccnc1 17073990 CSYJTWLWFJVGHB-UHFFFAOYSA-N 358.448 2.778 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cnoc1-c1ccccc1 426719841 JUFBEEIACKLPHG-KRWDZBQOSA-N 355.438 2.715 0 50 FFAA O=C(CCc1ccsc1)N[C@@H]1COCC[C@@H]1OCc1cscn1 222979578 KFSBJMFFYBQILC-CABCVRRESA-N 352.481 2.628 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3c[nH]c4ccc(C)cc4c3=O)[C@H]2C1 426380757 WXUPDBGGTBGASQ-DHUIEDIVSA-N 370.449 2.635 0 50 FFAA O=C(c1cc(-c2ccsc2)[nH]n1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225427338 HYJDMVKIARCMPU-OCCSQVGLSA-N 366.446 2.559 0 50 FFAA biogenic O=C(O)Cn1nccc1[C@H]1CCCN(Cc2nc3ccccc3s2)C1 426473331 ALUKKBCKRWKKIH-ZDUSSCGKSA-N 356.451 2.957 0 50 FFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccnn1C[C@@H]1CC=CCC1 20599131 DRNMPMLIIACHRX-OAHLLOKOSA-N 363.425 2.532 0 50 FFAA O=C(NCc1cc2ccccc2s1)N1CCC(O)(Cn2ccnc2)CC1 426436497 GAZPZILHTUWLNG-UHFFFAOYSA-N 370.478 2.835 0 50 FFAA CN1CCC(c2ccccc2)(c2nc3c([nH]2)CC(C)(C)CNC3=O)CC1 95371133 HSAJHLYLUOZOMG-UHFFFAOYSA-N 352.482 2.734 0 50 FFAA O=C(NCCc1nc(-c2ccccc2)no1)c1cccc(Cn2cccn2)c1 91435048 KNAVZSAQIQQIRE-UHFFFAOYSA-N 373.416 2.954 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)NCC(C)(C)OC)CC1 426693724 KVUBLNIQWQLJJC-UHFFFAOYSA-N 362.518 2.545 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3cnc(N4CCCC4)s3)C2)N1CC1CCC1 95384578 OIVWLKFWXXQBMU-DLBZAZTESA-N 374.554 2.966 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1C 239425981 VOGQPBMKWCFBNE-KXMCNQHHSA-N 364.445 2.684 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1C 91493599 MGMPBFDAUFBFBQ-NRFANRHFSA-N 371.481 2.699 0 50 FFAA O=C(O)Cn1nc(-c2ccncc2)nc1-c1ccc(CN2CCCC2)cc1 97713617 QNEQOKIPSCKZRJ-UHFFFAOYSA-N 363.421 2.688 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)NCc1cncn1C1CC1 96148497 WIKLXHVEILEELO-UHFFFAOYSA-N 366.425 2.793 0 50 FFAA CN(C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1 96166431 JDJZIFNQIQLBBW-HNNXBMFYSA-N 363.355 2.765 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2C(=O)O)c1OC 91365040 KCIWNPYCKWLHFO-JKSUJKDBSA-N 373.405 2.854 0 50 FFAA CC(C)N1CCC[C@]2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1=O 91444738 NSDNFRUWRDLIAG-QGZVFWFLSA-N 353.850 2.510 0 50 FFAA O=C(NC1CC1)c1ccnc(N2CCCN(c3ccc(F)cc3)CC2)c1 96180629 IXLMHULBKSXSJR-UHFFFAOYSA-N 354.429 2.830 0 50 FFAA CN1CCC(O)(CNC(=O)Nc2cccc(OCc3ccccc3)c2)CC1 95506397 UTMNGSCWMUQHNL-UHFFFAOYSA-N 369.465 2.844 0 50 FFAA O=c1cc(CN2CCCC[C@H]2CCc2ccccn2)nc2c(O)cccn12 244794717 QSHHLFFBZODCTF-SFHVURJKSA-N 364.449 2.782 0 50 FFAA Cc1c(C(=O)N[C@@H]2CC23CCCCC3)nnn1-c1ccc2c(c1)OCCO2 180665402 ATSDKXJLNNXCJR-QGZVFWFLSA-N 368.437 2.800 0 50 FFAA CCCn1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)n1 240936878 SFGZPQOJTBVUMQ-FUHIMQAGSA-N 369.465 2.778 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)no1 253535008 CUBFJOPYBLWJTD-BETUJISGSA-N 371.441 2.570 0 50 FFAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)[C@@H](c1ccccc1)n1cnnn1 252486664 HODLLTGRJQPTLU-AZUAARDMSA-N 372.432 2.938 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(C)c2)CNC3=O)c1 263615059 AJIWPGAQNXIFAT-FQEVSTJZSA-N 362.433 2.899 0 50 FFAA Cc1cc(NC(=O)N(C)CC2(CO)CCOCC2)n(C2CCCCC2)n1 299786247 KJIZKNMOUQVCLZ-UHFFFAOYSA-N 364.490 2.950 0 50 FFAA COc1ccc(-n2cc([C@@H](C)NC(=O)CN(C)C3CCCC3)cn2)cc1 299780866 CKSSYRCLCUANIT-OAHLLOKOSA-N 356.470 2.933 0 50 FFAA O=C(N[C@@H]1CNCC[C@H]1O)c1cccc(-c2cccc(C(F)(F)F)c2)c1 299784529 OQLBBFGWXQQDDV-IAGOWNOFSA-N 364.367 2.825 0 50 FFAA Cc1ccc2nc(O)cc(C(=O)N[C@H]3CCOC[C@@H]3OCC3CC3)c2c1 1565509724 QSWTXWNUBOKTOG-ROUUACIJSA-N 356.422 2.563 0 50 FFAA O=C(NCc1cc(-c2ccco2)on1)[C@H](c1cccnc1)N1CCCC1 952967158 YHRPSCCJSDIFQN-SFHVURJKSA-N 352.394 2.783 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Br)nc2)CC1 167022702 XZNDJVFOKCLBOM-UHFFFAOYSA-N 370.247 2.537 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCCC[C@H]1CO 170055516 VAHHJHKMHPSRDU-KBPBESRZSA-N 370.478 2.827 0 50 FFAA O=C(NCc1nccn1C(F)F)N[C@H]1CCCN(Cc2ccccc2)C1 170682848 NIXHORFXBWLWAP-HNNXBMFYSA-N 363.412 2.742 0 50 FFAA CCC[C@H](NC(=O)c1c(C)noc1C)C(=O)N1CCc2sccc2C1 171325942 OBOYFVHVYCTBJS-AWEZNQCLSA-N 361.467 2.836 0 50 FFAA CC1(C)C(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)C1(C)C 1704344887 PWBRXWOZBZPVEH-QVKFZJNVSA-N 359.466 2.576 0 50 FFAA Cc1cc(O)ccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704298513 IMDBEFCCSXGCIV-IIBYNOLFSA-N 362.429 2.924 0 50 FFAA CCc1cc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)nc(C)n1 1704345434 XXSJDIGZRCHUOY-HXUWFJFHSA-N 352.486 2.688 0 50 FFAA COc1ccc(CC(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 12074872 PJFHZEGLTBLGHI-INIZCTEOSA-N 372.852 2.808 0 50 FFAA Cc1ccccc1CC(=O)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12298521 HQLVINPJJVAWGV-HXUWFJFHSA-N 350.462 2.887 0 50 FFAA C[C@H]1CN(C(=O)Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccccc1 17072736 WZTKTWVIGDHCTK-HDICACEKSA-N 350.462 2.920 0 50 FFAA Fc1ccccc1-c1cnnc(NCC2(N3CCOCC3)CCCC2)n1 19225180 MQTLKYXRPHZESK-UHFFFAOYSA-N 357.433 2.735 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)NC1CCC(C)CC1)CCCCC3 169778372 YVCCKDOJNPWMRY-UHFFFAOYSA-N 370.497 2.928 0 50 FFAA COc1ccc(CNC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)cn1 1857533103 IFZHHBXVCPKJME-CVAIRZPRSA-N 354.454 2.852 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc4c(c3)CCO4)CC2)O1 1857709720 NKQVOVVTNSIKFY-IEBWSBKVSA-N 359.466 2.792 0 50 FFAA COc1cc(F)c(CN2C(=O)[C@]3(CCNC3)c3ccccc32)cc1OC 1875241342 VCTKNHRQXZBWOO-FQEVSTJZSA-N 356.397 2.621 0 50 FFAA COc1ccc(C)cc1NC(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1875248911 XTTCCBXSCLWGAN-DKYLXPRQSA-N 359.470 2.577 0 50 FFAA O=C(COc1ccccc1)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 11997771 IIWSQYAGCRBKBT-GOSISDBHSA-N 366.465 2.621 0 50 FFAA O=C(c1ccn(-c2ccccc2F)n1)N1CC[C@@H](Oc2ccccn2)C1 478082157 FQFAHDMNRAXBFT-CQSZACIVSA-N 352.369 2.700 0 50 FFAA CC[C@](O)(C(=O)NC[C@H](O)Cc1cccc(F)c1)c1cccc(Cl)c1 833179855 APKKFVSRORAWBN-IEBWSBKVSA-N 365.832 2.797 0 50 FFAA O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1cccc(Cl)n1 855212305 ZXKKCFZTQKHUKM-UHFFFAOYSA-N 365.842 2.523 0 50 FFAA O=C1C[C@H]2[C@H](NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)C[C@H]2O1 1875297220 HJNLPPKYTFCZOB-PMUMKWKESA-N 363.373 2.566 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cncc(Br)c3)n[nH]c21 1875295801 QXARMVZFLGVMHJ-BDAKNGLRSA-N 365.231 2.519 0 50 FFAA C=CC(=O)N[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 1875383474 WHAIIFQKIRWNJA-HNNXBMFYSA-N 364.854 2.662 0 50 FFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccccc2Br)C1 379262867 IHXPKWXLNXHCGA-LDYMZIIASA-N 351.166 2.943 0 50 FFAA Cc1cn(-c2ccccc2Cl)[nH]c1=NC(=O)c1ccc(CN(C)C)[nH]1 2325857110 PQAAROMOKWSZMP-UHFFFAOYSA-N 357.845 2.898 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC(c2nc3cc(F)ccc3s2)CC1 2325884682 SEMIVAPEDSFEQS-UHFFFAOYSA-N 361.442 2.786 0 50 FFAA Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(CC(=O)O)c1 477341802 PDTDSQYBJKIGRV-UHFFFAOYSA-N 356.403 2.971 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 670752 RKOARPHBJQAXAR-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)n1 1114279 JPNJHTCUQUEJEX-LLVKDONJSA-N 364.423 2.663 0 50 FFAA Cc1nc(C)c(-c2nnc3n2[C@@H](C)C(=O)N(Cc2cccc(F)c2)C3)o1 2356142426 RRMUCLGNLRUIKM-NSHDSACASA-N 355.373 2.792 0 50 FFAA O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cnc2ccccc2n1 225510217 WRACSHHHGATZRP-MRXNPFEDSA-N 364.361 2.765 0 50 FFAA COC[C@H](C)NC(=O)C1CCN(C(=O)c2c(C)c(C)cc(C)c2C)CC1 55309998 NPSOFLRCFLIZFZ-HNNXBMFYSA-N 360.498 2.924 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)C[C@H]2CCC(=O)N2)c1 55568926 SQWTXAXCEKAFFB-OAHLLOKOSA-N 367.405 2.555 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 27639661 ROUDCKODIMKLNO-DZMOIHGTSA-N 368.470 2.654 0 50 FFAA in-vitro CC(=O)Nc1ccc(Cl)c(C(=O)NCCC(=O)Nc2nccs2)c1 65394921 HYKVRCHKGQHEJB-UHFFFAOYSA-N 366.830 2.514 0 50 FFAA CCN(CC)CCNS(=O)(=O)c1cc(C)c(C)cc1Br 170623946 BFGBIBZQTNCMSW-UHFFFAOYSA-N 363.321 2.686 0 50 FFAA CSCc1noc(-c2nc3c([nH]2)C[C@H](c2ccc(F)cc2)CNC3=O)n1 65434726 UAFOXQFHDNBYSY-JTQLQIEISA-N 373.413 2.532 0 50 FFAA CCOC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3oc2=O)o1 719222 XWOSUPBHBHBYMC-UHFFFAOYSA-N 371.345 2.501 0 50 FFAA O=C1NC[C@]2(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)O1 72162080 QMVYOMVUQXUQDN-LJQANCHMSA-N 371.462 2.844 0 50 FFAA COc1cc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)cc2c1OCO2 216257900 QCJQQKGJMSIXIX-OAHLLOKOSA-N 354.406 2.914 0 50 FFAA O=C([C@H]1CCc2nncn2C1)N1CCCC[C@@H]1c1nc2ccccc2o1 328950879 XBYSXVCHAHPUJE-DZGCQCFKSA-N 351.410 2.736 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H]1Cc1ccc(F)cc1 363296829 ZHKAAFGLIQTQNE-SFHVURJKSA-N 351.385 2.649 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3ccccc3Cl)nn2)n1 72442375 WTENUBPQTACNHC-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 77523272 IJLCICXHUAQVOJ-QGZVFWFLSA-N 362.426 2.841 0 50 FFAA CCc1nc(CNC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)cs1 488953445 VBASIRVFVDYCOL-SNVBAGLBSA-N 351.394 2.957 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CCC(=O)N1CCCC1 77385627 YJLFGZGSHLNCMG-OAHLLOKOSA-N 355.438 2.971 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(CCCc3ccccc3)CC2)CN1C(=O)C1CC1 72459136 UYBKQLRNPPUVLL-IBGZPJMESA-N 370.493 2.797 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2c1CCC2 333761457 ZUUGFENSIKSTNZ-MRXNPFEDSA-N 355.482 2.894 0 50 FFAA OC1(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)CCOCC1 238157972 ZWOINEWPVYAXHZ-UHFFFAOYSA-N 364.449 2.565 0 50 FFAA Clc1ccc(-c2ncc(-c3nccn3CCn3cnnc3)cn2)cc1 72410995 KFIXZWYKQYBJLD-UHFFFAOYSA-N 351.801 2.952 0 50 FFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NCc1ccnc(OCC2CC2)c1 241121858 JEICMMNKMFTZKY-LSTHTHJFSA-N 359.514 2.849 0 50 FFAA O=C1CN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)ns2)CCN1 133290440 XZOVUDICXPBNIM-UHFFFAOYSA-N 356.234 2.689 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)c3nnc4nc(C)cc(C)n34)no2)cc1 220027407 FZPREAOXNPVDAV-UHFFFAOYSA-N 362.393 2.635 0 50 FFAA C[C@@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1cc[nH]n1 82108581 FXGHQOBZTSGDLA-OAHLLOKOSA-N 360.417 2.954 0 50 FFAA Nc1nnc(CCCNC(=O)c2csc(Cc3ccccc3)n2)s1 82127313 PKFSPHFGYYLSNU-UHFFFAOYSA-N 359.480 2.530 0 50 FFAA C[C@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)n1cccn1 44683123 OBACDAUZDGWPLB-CQSZACIVSA-N 366.387 2.807 0 50 FFAA O=C(NCc1ccccn1)N1CCC([C@@H](O)CCc2ccccc2)CC1 426552025 ORHASMWPGHVRIR-FQEVSTJZSA-N 353.466 2.997 0 50 FFAA Nc1[nH]nc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1Cl 223120173 QJGVHIGOQFXVCI-SNVBAGLBSA-N 358.833 2.617 0 50 FFAA CCCc1cnc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc1 199349526 DPIBGSYZWOYCLG-UHFFFAOYSA-N 362.481 2.937 0 50 FFAA Cc1cccc(-c2ncc(C(=O)NCCCc3c(C)noc3C)c(=O)[nH]2)c1 82097055 FHUXXXVQOLWOBV-UHFFFAOYSA-N 366.421 2.713 0 50 FFAA O=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1-c1nnn[nH]1 97757898 ZOCIVHVOVCWPMH-UHFFFAOYSA-N 362.418 2.920 0 50 FFAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 239235868 WXAFAADAKBTLSM-DOTOQJQBSA-N 366.483 2.757 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2[nH]c3ccccc3c2Cl)C1 97480298 AXNLEWMYKNHRRT-LBPRGKRZSA-N 359.861 2.822 0 50 FFAA CC[C@@H](C(=O)NCc1snnc1C(C)C)N1Cc2ccccc2C1=O 97402433 WJEPKKMPQRTFNI-AWEZNQCLSA-N 358.467 2.712 0 50 FFAA C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)c1ccccc1 91365137 ANGYOVFGLDSGBS-GOSISDBHSA-N 371.525 2.583 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)C[C@@H]2C)cc1 239259384 ZCYMVDQSLCSQSO-BEIYGRMHSA-N 356.466 2.779 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(c1ncccc1Cl)CC2 91475104 ZXKVALXLQDXLBC-UHFFFAOYSA-N 359.861 2.749 0 50 FFAA OCCn1nc(COc2cccc(F)c2)nc1[C@H]1COc2ccccc2C1 96180471 RRSWFUVTMKIZSG-OAHLLOKOSA-N 369.396 2.707 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)Nc1nnc(C(F)(F)F)s1 263587706 KICFPXBYQSQBES-UHFFFAOYSA-N 360.361 2.893 0 50 FFAA CCNc1ccnc(-c2cccc(C(=O)N3CC(N4CCCCC4)C3)c2)n1 534649943 RVFXSAVMKIDHLN-UHFFFAOYSA-N 365.481 2.886 0 50 FFAA CCC1=NO[C@H](CNC(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1 534577162 QVVUQHZNIYOZJG-HNNXBMFYSA-N 357.435 2.799 0 50 FFAA Cc1nc(C)n(CCCNC(=O)N2CCC(OCc3ccccc3)CC2)n1 534652281 PJYIJUOZPMPRNJ-UHFFFAOYSA-N 371.485 2.676 0 50 FFAA Cc1nn(CCCNC(=O)c2cnc(N)nc2-c2ccccc2)c(C)c1C 299801793 ZEQZFWRCEJOJCM-UHFFFAOYSA-N 364.453 2.668 0 50 FFAA Clc1cnn(CCN2CC[C@H]3[C@@H]2CCN3Cc2nc3ccccc3[nH]2)c1 1940197009 LPTMMUDLCPOBSZ-ROUUACIJSA-N 370.888 2.762 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3cnc(C(F)(F)F)nc3C)[C@H]2C1 299780833 DCWISOMKLIIZRN-IJEWVQPXSA-N 359.392 2.962 0 50 FFAA CCCN1C[C@H](NC(=O)C2(Nc3ccc(OC)cc3)CCCCC2)CC1=O 822919232 UOWRCSQXJVQEKA-QGZVFWFLSA-N 373.497 2.937 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3C[C@@H]4CC[C@H](N(C)C)C[C@H]4C3)n2)cc1 1345237892 YKFRYXIOKVWFFG-BQFCYCMXSA-N 368.481 2.683 0 50 FFAA CCNC(=O)N1CC[C@H](NC(=O)N[C@H](CC)c2cc(F)ccc2F)C1 268513164 CUJRCZDEIKNIKX-SWLSCSKDSA-N 354.401 2.519 0 50 FFAA O=C(c1ccncc1)N1CCC(NCC[C@@H]2COc3ccccc3O2)CC1 952985568 CJTBPAYAINYCIQ-GOSISDBHSA-N 367.449 2.506 0 50 FFAA C[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2 952865922 ZFLRIBRXJROXMH-LLVKDONJSA-N 357.435 2.807 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)CCN1CCCCCC1=O 952979076 DDDOLJPTADRIDO-UHFFFAOYSA-N 360.483 2.889 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@H](n3cncn3)C2)ncn1 275486777 AHNFAEUYJZLGHE-BXWFABGCSA-N 371.489 2.525 0 50 FFAA CCCn1cc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 275459243 WVZMFYCIZLNXEJ-HNNXBMFYSA-N 361.446 2.697 0 50 FFAA COc1cc(CCC(=O)NC2CCN(C(C)C)CC2)cc(OC)c1OC 170085988 GRQPREYLYGIYHQ-UHFFFAOYSA-N 364.486 2.634 0 50 FFAA O=C(N[C@@H](C(=O)N1CCOCC1)c1ccccc1)OCc1ccccc1 95495680 YOYKHVLSIUOJKE-GOSISDBHSA-N 354.406 2.513 0 50 FFAA in-vitro O=C(Cc1cccc(F)c1F)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529120620 FUMAKQBJMVMEPZ-IEBWSBKVSA-N 372.415 2.792 0 50 FFAA COC1CCN(C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772813058 URJPPLXRJFZXOZ-CQSZACIVSA-N 357.479 2.947 0 50 FFAA OC1(c2cccc(C(F)(F)F)c2)CCN(CC[C@H]2COCCO2)CC1 1775980805 BDKKMRWASSTVNB-INIZCTEOSA-N 359.388 2.794 0 50 FFAA Cc1n[nH]c(SCC(=O)N(c2ccccc2)c2ccccc2)nc1=O 5021678 GUWFTFXCWKABCQ-UHFFFAOYSA-N 352.419 2.930 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(OC)c3)n2)cc1 5388835 ROZRWURHPBELID-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA COc1cccc(OCc2cc(C(=O)NCc3nc(C)cs3)n[nH]2)c1 12307107 VAJIOVYKOBXENJ-UHFFFAOYSA-N 358.423 2.692 0 50 FFAA COc1ccc(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)cc1 12432233 VOQOGTNDZUQJCP-SFHVURJKSA-N 352.434 2.659 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 12432793 LVRWEXSJDXMTLT-UHFFFAOYSA-N 357.389 2.524 0 50 FFAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 13328171 XPMSPJHVYMFYCR-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA Cc1ccccc1CN1CCN(Cc2ccc(OCCO)cc2)CCC1=O 14970582 UUIROGLJZSQXDC-UHFFFAOYSA-N 368.477 2.601 0 50 FFAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(C)c1 19222869 ZRVQFZDLSRGTJB-QGZVFWFLSA-N 369.513 2.786 0 50 FFAA CC(C)=CCN1CCN(Cc2cccn2-c2ccccn2)C[C@@H]1CCO 19226884 ZIBYUMDGSDVFNB-IBGZPJMESA-N 354.498 2.707 0 50 FFAA Cc1oc(-c2ccccc2F)nc1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669570 YEJYWWZOCVQTAB-ORAYPTAESA-N 360.385 2.712 0 50 FFAA OC[C@H]1[C@H]2CN(Cc3ccc(CN4CCCCC4)s3)C[C@]23CC[C@H]1O3 1857718302 SDCATORAZPDEOD-MTQWCTHYSA-N 362.539 2.706 0 50 FFAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc(N4CCCC4)c(Cl)c3)C[C@H]2CO1 1857725353 RSQHLWMLJOKXSA-BPUTZDHNSA-N 363.889 2.532 0 50 FFAA CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4 31502394 IQUGPRHKZNCHGC-CEWLAPEOSA-N 367.401 2.505 0 50 FFAA biogenic CC(C)(C)OC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 390822194 PQYCJMUNEVALQL-GFCCVEGCSA-N 355.232 2.857 0 50 FFAA CC(C)(C)n1nnc(Cn2ccc3ccn(Cc4ccccc4)c3c2=O)n1 848509037 RNKTWMJOIKAQCO-UHFFFAOYSA-N 362.437 2.641 0 50 FFAA Cc1ccc([C@H](C)[C@H](O)C(=O)N[C@@H](CO)c2cc(F)c(F)c(F)c2)cc1 1875255951 NYWQMUIRWRAODN-PBQZTSCYSA-N 367.367 2.727 0 50 FFAA Cn1cc(CNCCn2ncc3ccccc3c2=O)c(C2CCCC2)n1 1875271069 IJESWIUCUZWJDT-UHFFFAOYSA-N 351.454 2.577 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CN[C@H]2CCOC[C@@H]2C1 1875305033 CXCYWXHTVYHOHG-DZKIICNBSA-N 356.388 2.678 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCc3cc(OCCC)ccc3C2)CC1 1875370331 KPRCQODHJMSWQL-UHFFFAOYSA-N 356.466 2.785 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 2325888562 FGYGDGMMIQUQGY-CJNGLKHVSA-N 360.429 2.969 0 50 FFAA COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc(OC)c1OC 8983796 GHRNOBUOWKUCAI-JTQLQIEISA-N 372.377 2.684 0 50 FFAA biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1 645238 AVIHJWPCUDQREQ-UHFFFAOYSA-N 374.462 2.740 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 1149634 UVSFNSOSOSSKFS-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1C 2386660 IYALYHSEVPJIDZ-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(F)cn2)CC1 2356143953 DHKIBKPZKLVKPR-UHFFFAOYSA-N 356.397 2.934 0 50 FFAA CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 6703467 RJCIWZLBAADWDV-INIZCTEOSA-N 370.902 2.752 0 50 FFAA O=S(=O)(Nc1nncn1Cc1ccccc1)c1ccc(F)cc1Cl 225397748 HWVUZICBQCNSFS-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA CCN(C(=O)c1cccc(NC(=O)CCNC(C)=O)c1)c1ccccc1 55343485 ULHATGLVICMCQL-UHFFFAOYSA-N 353.422 2.818 0 50 FFAA CCN(c1ccc(C)nn1)S(=O)(=O)Cc1ccc(Br)cc1 225694813 UIOKHGMMMPJQHL-UHFFFAOYSA-N 370.272 2.904 0 50 FFAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 113858750 RXSFLAOZRDFRIK-CQSZACIVSA-N 373.501 2.691 0 50 FFAA Cc1ccc(F)c(NC(=O)CCC(=O)NCCCNc2cccnc2)c1 55211952 VGNWVRNLSCPURJ-UHFFFAOYSA-N 358.417 2.866 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 100616166 QHXIPLQUZOVGSQ-CHPZLBCBSA-N 366.339 2.675 0 50 FFAA COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100632690 OJUKMBGNBORINC-HUUCEWRRSA-N 362.813 2.542 0 50 FFAA O=C(NCCCCc1ccccn1)c1ccc(CSc2ncn[nH]2)o1 65501324 NCGIWKKBIDMUQU-UHFFFAOYSA-N 357.439 2.838 0 50 FFAA Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C 20819332 DGBYRBBSJOROKE-UHFFFAOYSA-N 352.434 2.957 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1cc[nH]c1C 281227743 OCVJMOQOYPIZFH-KBPBESRZSA-N 350.463 2.773 0 50 FFAA O[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CC[C@H]1c1ccc(F)cc1 65499530 KIGWWJAMAZSHMR-VQTJNVASSA-N 352.413 2.757 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 252510894 ZQWJVAMXFMAQBK-GFCCVEGCSA-N 374.391 2.806 0 50 FFAA CCn1c(SC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 1391751 PMHRKRSEQBRZPU-SECBINFHSA-N 360.892 2.713 0 50 FFAA CC1(C)N=C(O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 2291686 FQIJHWORSKDRDL-ZDUSSCGKSA-N 351.406 2.690 0 50 FFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@@H]1C[C@@]12CCOC2 330000373 WIABVOREADRYKG-SUMWQHHRSA-N 368.355 2.893 0 50 FFAA Cc1ccc(C(=O)N2CCC(CO)(CN3CCCC3)CC2)cc1Cl 219265759 YSUKTKABSRGJPM-UHFFFAOYSA-N 350.890 2.959 0 50 FFAA O=C(CSCCN1CCCC1)NCc1nc2ccc(Cl)cc2[nH]1 219792490 SERHSZGTKYMDJZ-UHFFFAOYSA-N 352.891 2.662 0 50 FFAA Cc1ccc(CN2C[C@H](O)[C@@H](N(C)Cc3nc4ccc(F)cc4[nH]3)C2)s1 72454720 CGZGBYVRXKTHFR-ROUUACIJSA-N 374.485 2.749 0 50 FFAA Cc1ccnc(NC[C@@H]2CCN(CCOc3ccccc3C(=O)O)C2)c1 364268185 YMECMARZWKKVOA-INIZCTEOSA-N 355.438 2.901 0 50 FFAA CNS(=O)(=O)c1csc(C(=O)N2CCc3ccc(Cl)cc32)c1 482060349 KLAZDPKIOSBFNP-UHFFFAOYSA-N 356.856 2.513 0 50 FFAA O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccc2nccnc2c1 12712346 YSGXJACULLYSNT-INIZCTEOSA-N 352.438 2.541 0 50 FFAA COC(=O)CCn1cc(CN2CCC(Oc3cccc(C)c3)CC2)cn1 72447729 YKNFQRSIOGXYPG-UHFFFAOYSA-N 357.454 2.798 0 50 FFAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCCc2ccc(Cl)cc2)C1 77456272 SFHNFYAPGREDEZ-UHFFFAOYSA-N 373.888 2.755 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCC([C@@H](O)c3nccn3C)CC1)CO2 215544108 ZWGWGBYCRMINBS-HXUWFJFHSA-N 369.465 2.650 0 50 FFAA O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCOC2(CCCCC2)C1 174452579 YGGUMPDEZIXFFK-SFHVURJKSA-N 356.466 2.853 0 50 FFAA Cc1nc([C@H](C)NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c(C)s1 223573134 GDUHXQQYMZGAJF-JTQLQIEISA-N 352.481 2.583 0 50 FFAA O=C(O)C1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 238012029 PUCCLOKNBXLVAI-UPTPFMHGSA-N 362.445 2.797 0 50 FFAA CCC[C@@H]1CN(S(=O)(=O)c2ccc(OC(F)F)cc2)C[C@H]1N(C)C 82098212 RWLREMIHLBDEMZ-IUODEOHRSA-N 362.442 2.639 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 40023706 AFPXDGHTOQLPAQ-UHFFFAOYSA-N 354.498 2.750 0 50 FFAA CCCCCC(=O)N1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 82116252 HWFXOSANNGVNAC-GOSISDBHSA-N 363.546 2.892 0 50 FFAA Cc1nn2c(ncc3c(=O)n(CCO)ccc32)c1-c1ccc(Cl)cc1 40397573 RFFBWJVAPBKCRG-UHFFFAOYSA-N 354.797 2.665 0 50 FFAA CN(CCCN1CCCCCC1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426535781 ZIHKXVPATJGAKJ-UHFFFAOYSA-N 367.497 3.064 0 50 FFAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccn(Cc2cccc3ccccc23)n1 226563260 OCSNGTVPEMSZBP-JYBIWHBTSA-N 373.412 2.751 0 50 FFAA O=C1C[C@H](CNc2ncnc3c2ncn3C2CC2)CN1Cc1ccccc1 292627155 DVNXPQMSAIKHLI-OAHLLOKOSA-N 362.437 2.622 0 50 FFAA Cc1cc(N2CCC(NCCC[C@@H]3CCOC3)CC2)nc(N2CCCC2)n1 95499854 OCHUNMKBVNOJHK-GOSISDBHSA-N 373.545 2.760 0 50 FFAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccc3[nH]ccc3c1)CC2 91550847 QFSPBFSLVVPWOQ-OAHLLOKOSA-N 369.465 2.846 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@H](C)n1ccnc1C(C)C)OCCO2 95530231 OXHYLFUQLNGXRI-ZDUSSCGKSA-N 359.426 2.664 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)C1 95352469 IFJBVTWYXXQIOB-OAHLLOKOSA-N 351.878 2.782 0 50 FFAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1 426734547 SXYFQCGVBJWMML-UHFFFAOYSA-N 371.868 2.559 0 50 FFAA CC[C@@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1CCc1cnn(C)c1 96132843 XXEQAVCDCVTHOX-GOSISDBHSA-N 365.481 2.648 0 50 FFAA CCCn1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC)c1C 91746348 UHKISFFOUSRJKW-UHFFFAOYSA-N 356.518 2.694 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnc(C)cn2)C3)cc1 91503815 JBLRAOOMDDSUSC-ZWKOTPCHSA-N 366.465 2.530 0 50 FFAA COc1cccc(-c2cc(C(=O)N(CCO)Cc3ccc(F)cc3)[nH]n2)c1 91746994 ICMPHCKXOCIDKU-UHFFFAOYSA-N 369.396 2.859 0 50 FFAA CCc1cnc(CNC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)s1 293510495 SHBYELIHEUGUAK-JTQLQIEISA-N 351.394 2.957 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(Cc2ccco2)C1 95354566 AWMABKLCOSODBK-MRXNPFEDSA-N 366.421 2.858 0 50 FFAA COc1cc(C)c(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)c(OC)c1OC 142638367 TZHPVYSQGAHFJC-UHFFFAOYSA-N 354.366 2.734 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)C2 92028964 STWPIWQXLDUHGD-HNNXBMFYSA-N 367.449 2.540 0 50 FFAA CSCCC(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95372253 ABOFZYKHEXBUKH-ZDUSSCGKSA-N 350.513 2.847 0 50 FFAA Cc1ccc2nc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)c(F)n2c1 91965276 WPIUSXBDMIHYGJ-HXUWFJFHSA-N 372.444 2.645 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)c2ccccc2OCc2ccccc2)C[C@@H]1CO 91985978 BYCKHRQJDOLKEI-RTBURBONSA-N 368.477 2.508 0 50 FFAA CC1(C)CNC(=O)c2nc(C[C@H]3CCN(Cc4ccccc4)C3)[nH]c2C1 95381931 ULUCMGWPBNPXSJ-MRXNPFEDSA-N 352.482 2.786 0 50 FFAA CC(=O)NC[C@H]1CCC2(CCN(C(=O)Nc3c(C)cc(C)nc3C)CC2)O1 95528318 STWRBTVMEYMKLO-QGZVFWFLSA-N 374.485 2.688 0 50 FFAA COc1ccc([C@@H](NC(=O)C(C)(C)c2ccccc2)[C@H]2C[C@@H](O)C2)cn1 252571276 XRCBDWDQNQGWMS-HHXXYDBFSA-N 354.450 2.996 0 50 FFAA Nc1nc(O)cc([C@H]2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)n1 253534836 JJYGVXLVIWVTSO-CALCHBBNSA-N 374.444 2.959 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)CN(C)Cc3nc(C4CC4)no3)sc2C1 252500764 TVCKFRRXPDSVGD-SNVBAGLBSA-N 361.471 2.599 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)NCc3ccc(CO)cc3)C2)c1 534636905 DIPVBHLZLONYSS-KRWDZBQOSA-N 370.449 2.895 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)N[C@H](c1nccn1C)C1CC1 534648568 VQLLLSIOXNIMTJ-KRWDZBQOSA-N 358.467 2.738 0 50 FFAA O=C(CCC(=O)N[C@@H](Cn1cccn1)c1ccccc1)NC1CCCC1 55403222 PJNWTJKBUNTZKO-SFHVURJKSA-N 354.454 2.580 0 50 FFAA COc1ccc2occ([C@H]3CC(=O)Oc4c3oc(C)cc4=O)c(=O)c2c1 824757808 KSPXVNMJOLWGGD-LLVKDONJSA-N 354.314 2.504 0 50 FFAA biogenic O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1ccnc2ccccc12 1565513610 DEZGILXBUKAPKO-PMACEKPBSA-N 363.417 2.734 0 50 FFAA Cc1occc1C(=O)NC1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 171294403 XNFHBTDUKZAYCX-AWEZNQCLSA-N 374.412 2.915 0 50 FFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1 952967646 BZIIPVDWMFYIDP-OAHLLOKOSA-N 374.462 2.626 0 50 FFAA NS(=O)(=O)c1cnc(N[C@H](c2cccc(F)c2)c2ccccn2)s1 301899016 SQZHXHJWONXPIB-CQSZACIVSA-N 364.427 2.526 0 50 FFAA Cc1cccc(C[C@H](CO)NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 191266060 ZZPBNCTWFIGAPE-QGZVFWFLSA-N 353.397 2.858 0 50 FFAA COc1ccc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c(Cl)c1OC 1615737923 XPYKGXVSRYYJPG-ZFWWWQNUSA-N 366.845 2.689 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(Cc2ccccn2)CC1 1506416998 ZXUVIPOGLAQFOL-SFHVURJKSA-N 364.493 2.567 0 50 FFAA Cc1cc(-c2cc(S(=O)(=O)N3CCO[C@@H](C4CC4)C3)c(C)s2)n[nH]1 1506421690 LMWKNWPKQLGQNM-CQSZACIVSA-N 367.496 2.555 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)Cn2nc(C)cc2C)cc1Cl 1506396298 CFGLQZNVSPVRSN-LLVKDONJSA-N 357.863 2.529 0 50 FFAA COc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1OC(C)C 1529191213 UVZWNANYFRSISX-MSOLQXFVSA-N 370.449 2.865 0 50 FFAA CNC(=O)c1cccnc1NC[C@@H](C)Cn1nc(C)cc1C(F)(F)F 1704339121 OCURCHWZBKZDKY-SNVBAGLBSA-N 355.364 2.713 0 50 FFAA CCCc1nc(N2CCCN(C(=O)[C@H]3CCc4ccccc43)CC2)no1 1772806383 DSUNGKMPNJFQCM-KRWDZBQOSA-N 354.454 2.791 0 50 FFAA COc1ccc(C(=O)NCc2cccnc2)cc1I 12404374 CRPKJORTYRUCIQ-UHFFFAOYSA-N 368.174 2.625 0 50 FFAA COc1ccc(-c2cnnc(NCCSc3nnc(C)s3)n2)cc1 12430337 HJTUWUWPAVJLTO-UHFFFAOYSA-N 360.468 2.911 0 50 FFAA O=C(CSc1ccncc1)N[C@@H]1CCCN(CCc2ccccc2)C1 12431037 LQQVJQIGUHCVKK-GOSISDBHSA-N 355.507 2.997 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCC(Cc2ccccc2)CC1 15062733 OZNWFLXSCXSHEQ-JOCHJYFZSA-N 356.510 2.705 0 50 FFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 15065906 ABVXVGSVHPOXPP-FUHIMQAGSA-N 362.477 2.984 0 50 FFAA Cc1nonc1CN(C)C1CCN(c2cccc(-n3cccn3)c2)CC1 19884039 MABRTESYOGSKTQ-UHFFFAOYSA-N 352.442 2.665 0 50 FFAA C[C@@H]1CN(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 19939369 UYCQSPPQIKEXDZ-HUUCEWRRSA-N 366.889 2.819 0 50 FFAA CCn1ncnc1[C@@H](C)n1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857691808 DSICZNFRYATIJT-GFCCVEGCSA-N 364.409 2.621 0 50 FFAA CCCC(=O)N1CCC(N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)CC1 1857717628 QNEAQMDJVOSWAG-QHAWAJNXSA-N 371.525 2.582 0 50 FFAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)c1 219589843 LLUSSDOHZKUQHL-MSOLQXFVSA-N 367.449 2.863 0 50 FFAA COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 4017016 LFRFWMCLWQNBFR-KBPBESRZSA-N 358.479 2.630 0 50 FFAA in-vitro Cc1nc([C@H]2CCN(C(=O)Nc3ccc(Br)c(C)n3)C2)n[nH]1 333859508 ZAWHDEPEPTVWDZ-JTQLQIEISA-N 365.235 2.600 0 50 FFAA O=C(O)CN1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 238155991 YSBSFTQUQLVNPH-GFCCVEGCSA-N 366.215 2.644 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1cc(F)cc(F)c1 247822732 ICCPEALLHAZIKC-ACJLOTCBSA-N 362.420 2.757 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)Cc2ccccn2)cc1 247898724 PRIMZXRIVLJYNX-QUCCMNQESA-N 365.477 2.756 0 50 FFAA CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 392677618 JQFXNNNVGPSJCP-UHFFFAOYSA-N 363.410 2.763 0 50 FFAA O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cnc2[nH]c(O)nc2c1 809766776 AKCMNRIJTUQVQM-SFHVURJKSA-N 374.400 2.794 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@H]2CCC[C@@H]21 1875266039 SEXBYAILTNNGON-AYOQOUSVSA-N 361.461 2.783 0 50 FFAA O=C(NCc1noc(-c2ccccc2F)n1)N1CC[C@@H]1[C@H]1CCCOC1 1875278394 VMKIKIKIAWUZLS-SWLSCSKDSA-N 360.389 2.586 0 50 FFAA CCC[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cn(-c2ccc(C)c(F)c2)nn1 1875354460 WPIJXASLWLYDLV-IIAWOOMASA-N 374.416 2.783 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 1875313972 ARFLDXRHFAXDHZ-DXWDOBMASA-N 359.470 2.729 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 1875313974 ARFLDXRHFAXDHZ-RDTXFTJFSA-N 359.470 2.729 0 50 FFAA COCC(=O)N1CCC[C@H]2CN(c3cc(C)nc(C4CCC4)n3)CC[C@@H]21 1875330441 XVMVVHNFULXURT-IRXDYDNUSA-N 358.486 2.516 0 50 FFAA COc1cccc(OC)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 994624 YRKKRJXBEJXXCJ-UHFFFAOYSA-N 360.435 2.995 0 50 FFAA O=C(Nc1ccc2c(n1)CCC2)[C@@H]1CCc2nc(C(F)(F)F)cn2C1 2325780122 JHSFNFRINFEOKV-LLVKDONJSA-N 350.344 2.987 0 50 FFAA C[C@H]1C[C@H]1CC(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867799 GEGGWBNKUFYLSP-ZFWWWQNUSA-N 359.470 2.543 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(C(F)(F)F)[nH]c1=O 111098233 DWUBDZRJKHFPEU-UHFFFAOYSA-N 364.327 2.553 0 50 FFAA O=C(NC(=S)Nc1cccc(O)c1)c1cncc(Br)c1 678550 HIBPDMCVJVYHCC-UHFFFAOYSA-N 352.213 2.677 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 1128439 USUPLXWHHQDTFA-UHFFFAOYSA-N 352.843 2.908 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 1170292 RYSQPGKVSIBRCV-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA Cc1noc(C)c1C(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 6690899 YIRLMHUOIIAANU-UHFFFAOYSA-N 358.423 2.634 0 50 FFAA Cc1cc2nc(C(=O)N3CCC4(CCCN(C)CC4)CC3)cc(C)n2n1 67650077 PYUXZYKQOSDNJR-UHFFFAOYSA-N 355.486 2.684 0 50 FFAA Cc1ccc(C2(CN3CC[C@H](n4nc(C)cc4C)C3)CCNCC2)nc1 65394695 ZXJUBHNHKMOJEF-IBGZPJMESA-N 353.514 2.772 0 50 FFAA CCCCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 65371629 IEUIIWPPFJWURK-GOSISDBHSA-N 371.481 2.946 0 50 FFAA O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67676744 PZNRHCFZSKEYGA-FUHWJXTLSA-N 364.401 2.887 0 50 FFAA COC(=O)c1cc2n(n1)CCCN(Cc1ccc([C@@H]3CCCCO3)o1)C2 65506684 UFTKKASNQVWLPP-KRWDZBQOSA-N 359.426 2.910 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)Cn1ccc(=O)cc1 67804411 LDMAKQVZOVOZMZ-UHFFFAOYSA-N 363.417 2.969 0 50 FFAA CC(C)Cc1cc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)n(C)n1 65406999 OWDYJBVYRZYKFK-GOSISDBHSA-N 356.470 2.835 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2C1 121591530 ZJFYDXBMTIJTDA-IFXJQAMLSA-N 357.479 2.928 0 50 FFAA Cc1ccn2c(NC(=O)C3(c4ccc(F)cc4)CCOCC3)nnc2c1 121789677 UKHQLCCWXISAFA-UHFFFAOYSA-N 354.385 2.864 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N=c2cc[nH]cc2)[C@H]1c1ccc(Cl)c(Cl)c1 478747904 QRZGKHSKCFFXAJ-MLGOLLRUSA-N 364.232 2.968 0 50 FFAA CC[C@H]1CN(C(=O)COc2cccnc2)CCC(=O)N1Cc1ccccc1 71754321 GBJZTSFEORDLGI-SFHVURJKSA-N 367.449 2.500 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3cnc(C(C)C)nc3C)C2)CCC1=O 72477494 AZFLIMPOIXBGJX-FQEVSTJZSA-N 358.486 2.773 0 50 FFAA O=C(NCC(=O)N1CC2(CCCC2)c2c(F)cccc21)c1cccnc1 158724057 DBMACYDLNFMUPK-UHFFFAOYSA-N 353.397 2.809 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 77554186 BGSBYQGAJKUMIG-MSOLQXFVSA-N 362.445 2.748 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 156779794 CNXJGQQWPIJJDZ-KRWDZBQOSA-N 353.422 2.662 0 50 FFAA NCc1ccc(-c2noc(CCC(=O)N3CCc4sccc4C3)n2)cc1 261952946 GFOMCKVHQMJPRN-UHFFFAOYSA-N 368.462 2.774 0 50 FFAA CC[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237073973 ARHMVXVMXOGXJD-KBPBESRZSA-N 359.344 2.901 0 50 FFAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 237478152 MHMIBOTUYDMVLW-WCQYABFASA-N 350.406 2.594 0 50 FFAA O=S(=O)(CCN1CCC[C@@H](C[C@H]2CCOC2)C1)Cc1ccccc1 373065845 LEXDYOHGGROVDO-RBUKOAKNSA-N 351.512 2.740 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)ncc1C(N)=O 448779985 ICXFNFGNVKCPEC-AWEZNQCLSA-N 357.841 2.990 0 50 FFAA Cc1cc(N2CCC[C@@H](Nc3ncnc4cc(F)c(F)cc34)C2=O)n(C)n1 172810361 PRUFVKJVMKTZSJ-CQSZACIVSA-N 372.379 2.557 0 50 FFAA O=C(c1ccc(O)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72153804 DRMIXXIWQJAIEE-PWRODBHTSA-N 364.445 2.800 0 50 FFAA CC[C@](CNC(=O)[C@@H]1COc2ccccc2C1)(C(=O)O)c1ccccc1 263014809 OABAFHUOVQONRO-HRAATJIYSA-N 353.418 2.787 0 50 FFAA O=C(CCn1c(=O)[nH]c2ccccc21)NCc1cc(-c2ccccc2)no1 216261132 HPJVOYJOIKQXEW-UHFFFAOYSA-N 362.389 2.691 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31129135 PGRDQYUHCBOWDY-OAHLLOKOSA-N 374.404 2.823 0 50 FFAA O=C(CN1CCCC1)N1CCC[C@](Cc2cccc(Cl)c2)(C(=O)O)C1 71762055 MNNFLGXVFLBYIH-LJQANCHMSA-N 364.873 2.672 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)NCCc1cc(N2CCCC2)ncn1 72424180 MOGROTWNCPZZOF-UHFFFAOYSA-N 370.428 2.538 0 50 FFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NCc1ccccc1 49544462 TTXQJLPKSZVJHV-UHFFFAOYSA-N 353.809 2.880 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)c(=O)[nH]1 72115391 UCWHNKZGVPEDAQ-UHFFFAOYSA-N 372.812 2.636 0 50 FFAA CCNC(=O)c1ccc(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)nc1 71775835 ADPGVARLVHQHLL-MRXNPFEDSA-N 367.449 2.939 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)C[C@H]2CCCCO2)cc1 240900774 ITTXUFQABSPMCG-QRVBRYPASA-N 367.511 2.951 0 50 FFAA CCOc1cccc(NC(=O)N2CCN(c3nc(CC)ns3)CC2)c1 175347546 WIALNSZDBPHRIW-UHFFFAOYSA-N 361.471 2.853 0 50 FFAA COC[C@H](NS(=O)(=O)c1sccc1Br)c1ccco1 175355942 BYEWDIRWZWVYIT-VIFPVBQESA-N 366.258 2.770 0 50 FFAA CC(C)c1ccc([C@@H]2CCCCN2C(=O)CN2CCCS2(=O)=O)cc1 160398327 LRPLWHCEMVGZCP-SFHVURJKSA-N 364.511 2.899 0 50 FFAA COc1ccc(NC(=O)[C@@H](C)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1 287071380 UYPSNKREIQOCEE-XUWXXGDYSA-N 360.479 2.792 0 50 FFAA Cc1noc(CCCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 287218551 DHLWVQALIOFHDN-SQNIBIBYSA-N 370.453 2.525 0 50 FFAA CC(C)CN1C[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)CC1=O 45889489 VOTXXRXMGSBNTQ-GOSISDBHSA-N 358.482 2.699 0 50 FFAA C[C@@H](C(=O)NCCN1CCNC1=O)c1ccc(-c2ccccc2)c(F)c1 223414796 PZTQWAYSZUUCIH-CQSZACIVSA-N 355.413 2.738 0 50 FFAA C[C@@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1ccn(C)n1 82091807 OKEIXOJFIXSPLP-MRXNPFEDSA-N 374.444 2.965 0 50 FFAA CCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2ccccc2)on1 82147555 ZHCNIIFWJJTWQM-KBPBESRZSA-N 361.373 2.640 0 50 FFAA CCCOC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 82108242 MHSYTNXBQVOSIM-LJQANCHMSA-N 360.458 2.536 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(CC(=O)NCc1ccccc1)CC2 426494709 XTFLLERMMXHKLL-RZUBCFFCSA-N 372.509 2.741 0 50 FFAA CCOc1cc(Cl)c(CN2CCN([C@H]3CCNC3)CC2)cc1OCC 97551382 VBNVFKGGVKCTFJ-INIZCTEOSA-N 367.921 2.617 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 237002935 YCKHWAZAWYDYAM-ZBEGNZNMSA-N 359.426 2.674 0 50 FFAA COc1ccc(C2(C(=O)N3CCCC[C@H]3CCN3CCOCC3)CC2)cc1 91779276 NIJSXKJBHAYMBL-IBGZPJMESA-N 372.509 2.830 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@@H](OCc2cccnc2)C1 91643642 NKKJIJFJLPYZRT-MRXNPFEDSA-N 363.421 2.688 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1OC 91747038 GLAIBAGETWAFJE-GOEBONIOSA-N 373.453 2.569 0 50 FFAA Cc1c(CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 91487120 UQZPJSUCHVWYGY-JOCHJYFZSA-N 371.525 2.772 0 50 FFAA O=C(c1c[nH]c(=O)cn1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91997641 IRHSKQOREFHGRT-UHFFFAOYSA-N 359.429 2.992 0 50 FFAA COc1ccc2oc(CNC(=O)C3CCN(Cc4ccco4)CC3)nc2c1 95360108 QALXFDLCQGQHOG-UHFFFAOYSA-N 369.421 2.958 0 50 FFAA CS[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccco3)C2)CC1 91676803 OBHFPHVTCHMGRD-AWEZNQCLSA-N 350.484 2.762 0 50 FFAA NC(=O)c1ccc(-c2nc(C3CCOCC3)n(CC(F)(F)F)n2)cc1 96142215 OFLJHHHWCOJBRN-UHFFFAOYSA-N 354.332 2.500 0 50 FFAA COc1cccc(C(=O)N2CCC(c3nc([C@H]4CCOC4)no3)CC2)c1 96152325 UEHSDFNYOXIVIZ-HNNXBMFYSA-N 357.410 2.602 0 50 FFAA O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95370418 ZFVUSBXJCKUGLN-XUVXKRRUSA-N 351.425 2.923 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 239412401 SQNVBHQZGNPWIE-NZVBXONLSA-N 362.813 2.540 0 50 FFAA Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95359783 VLZDSJGEYHWUJI-GOSISDBHSA-N 355.486 2.984 0 50 FFAA O=C(NC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1)C1CC1 179913694 FNJJRBLSQMJLFQ-FQEVSTJZSA-N 358.482 2.735 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)cc1 95496944 ZPQPYTHCTKAULO-RBUKOAKNSA-N 352.434 2.828 0 50 FFAA COc1ccc2c(c1)C[C@H](c1nc(CC(N)=O)nn1C1CCCCC1)CO2 96164032 COBZYZGJZBUTBW-AWEZNQCLSA-N 370.453 2.538 0 50 FFAA CN(C)C(=O)c1cccc(NC(=O)N2CCN[C@@H](c3ccccc3)C2)c1 97775914 GTHFPNRCZFEYEA-GOSISDBHSA-N 352.438 2.567 0 50 FFAA CCc1cc(N2CCC(N(C)C[C@H]3CCOC3)CC2)nc(N2CCCC2)n1 95500965 BBBGFLWFWRGGHS-QGZVFWFLSA-N 373.545 2.576 0 50 FFAA CCCc1nc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cs1 97323838 CTVBXGAAXOUXPJ-OAHLLOKOSA-N 363.483 2.800 0 50 FFAA CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1c(C)noc1C)C2 91736956 YLZWAGYMOXIITB-JKSUJKDBSA-N 371.485 2.704 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)NCC1(N2CCCC2)CCCC1 244700952 JXBIRQPJLJUNGQ-UHFFFAOYSA-N 355.482 2.557 0 50 FFAA Cc1nc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c2cnn(C)c2n1 183051886 NYAFGCQUVRTQQN-CQSZACIVSA-N 374.807 2.682 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(CCC(=O)Nc2ccsc2C(=O)O)C1 252483638 FGHMHPVVMXCNTI-IBGZPJMESA-N 374.462 2.677 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)NC[C@@H]1CCCN2CCCC[C@H]12 263584953 CJPPOCNOSBPGMJ-RBUKOAKNSA-N 359.514 2.765 0 50 FFAA biogenic Cc1cc(S(=O)(=O)NC[C@H](CO)Cc2ccco2)c(Cl)cc1F 535142986 OYIAOZONCLFXCK-LLVKDONJSA-N 361.822 2.510 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)N(C)Cc1ccc(OC)c2ncccc12 534663396 BGGUEEAFBKRICZ-ZDUSSCGKSA-N 368.441 2.757 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)NCCn1nc(C)cc1C 299777720 FNWATUWMDWCEOA-UHFFFAOYSA-N 368.441 2.575 0 50 FFAA Cn1nccc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299776848 DOJSUBOIMKLQSS-FTRWYGJKSA-N 353.422 2.531 0 50 FFAA O=C(NCCCN1CCCC[C@H]1CO)c1cccc(-c2ccncc2F)c1 299757516 IQGUDFCUJNYESP-SFHVURJKSA-N 371.456 2.854 0 50 FFAA CCc1nccn1CCC(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 299796491 NSPDJMPWSXMKCB-UHFFFAOYSA-N 373.482 2.522 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 828172212 PRBRZSUBTMVUNT-UHFFFAOYSA-N 358.511 2.630 0 50 FFAA O=C(NCC[C@H](O)CO)c1ccc(-c2cc(F)ccc2C(F)(F)F)cc1 584893499 XJBBHRJXXIMJGU-AWEZNQCLSA-N 371.330 2.985 0 50 FFAA Cc1nc2c([nH]1)CN(C(=O)NC[C@H]1CCCN(C3CCCCC3)C1)CC2 584903352 FPVGNEOAPJZIHF-MRXNPFEDSA-N 359.518 2.831 0 50 FFAA COc1cc(S(=O)(=O)N[C@@H](C)c2nncn2C(C)C)c(C)cc1C 670453693 PQRUPCWHTAUXJS-ZDUSSCGKSA-N 352.460 2.524 0 50 FFAA COc1cccc([C@H](C)NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)c1 670437478 OCONPLMIOSPPDZ-LBPRGKRZSA-N 373.375 2.562 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](O)[C@@H](C(=O)O)C1 1529105407 ASGNSCCPIDWWJX-RBUKOAKNSA-N 371.433 2.542 0 50 FFAA O=C(Cn1ncc2ccccc21)NCC1CCN(c2ccncc2F)CC1 952986466 IVTDQUXLRRIVGA-UHFFFAOYSA-N 367.428 2.603 0 50 FFAA Cc1ncsc1CCC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 412200120 HWYMWNLTSRHSJG-UHFFFAOYSA-N 352.481 2.610 0 50 FFAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1C[C@]12CCOc1ccccc12 276801475 GMDZUWIZSOBJSO-RXVVDRJESA-N 360.417 2.624 0 50 FFAA COc1cccc(F)c1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615751711 WNIZPVIDDDEPBQ-WMZOPIPTSA-N 370.424 2.732 0 50 FFAA O=C(Cn1ccc(=O)cc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 1506395739 FOOIDMKAEJVFNP-TUNNFDKTSA-N 366.461 2.527 0 50 FFAA Cc1ncnc(N2CCN(Cc3ccc(C(F)(F)F)nc3)CC2)c1C 1506405543 MYUGFNDPQCSZKM-UHFFFAOYSA-N 351.376 2.829 0 50 FFAA O=C(c1ccccc1-n1cnnc1)N1CCCN(Cc2ccsc2)CC1 1529101653 JOHWVZBYEKFDED-UHFFFAOYSA-N 367.478 2.677 0 50 FFAA Cc1cc(C(=O)N2CCCN(Cc3cc4ccccc4o3)CC2)nn1C 1529173072 LVAZHPIENBVOPM-UHFFFAOYSA-N 352.438 2.823 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C[C@H](O)c3ccccc3)CC2)on1 1529169268 SICOPLMQDRZUQF-SFHVURJKSA-N 357.454 2.680 0 50 FFAA O=C(COCc1ccccc1)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 1704298408 JKKGLLIACLLZAG-IBGZPJMESA-N 356.466 2.620 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 11789573 DAOQCKGEUBFCLN-KRWDZBQOSA-N 352.438 2.553 0 50 FFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](N(C)Cc1ccco1)C2 14744079 KJHWPMVOLLSJFY-HNNXBMFYSA-N 358.486 2.823 0 50 FFAA O=C(Cc1cccc(F)c1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 14878936 XSJMTPQJWMPOKE-GOSISDBHSA-N 363.392 2.945 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 19229418 ZJVMXBFYBBMUGS-QFIPXVFZSA-N 367.493 2.714 0 50 FFAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cc(F)ccc1F 169778296 YIJALGQQLMGFSU-UHFFFAOYSA-N 365.343 3.000 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3cccn3C)CC2)cc(C(F)(F)F)n1 169780318 YONRKROJNMHGHL-UHFFFAOYSA-N 367.375 2.541 0 50 FFAA COc1cnc(C)cc1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 1857675682 GYLYQDUHAWUGCD-GOSISDBHSA-N 354.454 2.751 0 50 FFAA CCCO[C@H]1C[C@@H](C(=O)NCCc2csc(C(C)C)n2)CC[C@@H]1N 1857718863 WVSZYWMOVUQXEG-BPUTZDHNSA-N 353.532 2.848 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ncccc1C(F)(F)F)C[C@H]2O 1857724027 IRDFTLHUAAMXMA-YFHUEUNASA-N 364.367 2.674 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NC[C@@H](C)Oc1cccnc1 1875246029 XQZUPWBEEFUNPD-GFCCVEGCSA-N 369.450 2.755 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328619153 FOWHCXLNMQVSOA-OAHLLOKOSA-N 369.469 2.651 0 50 FFAA CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 237210323 PZDSFNUTXGAMTP-JTQLQIEISA-N 370.824 2.979 0 50 FFAA CCCOc1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)c(C)c1 252483121 DVNFWBHGWRWCJG-QGZVFWFLSA-N 371.485 2.997 0 50 FFAA O=C([C@@H](Cc1ccccc1)C1CC1)N1CCC(n2ncc3c2CNC3)CC1 1875276543 AFMUNYWCNLHVMT-FQEVSTJZSA-N 364.493 2.919 0 50 FFAA C[C@@H](c1nnc2ccccn12)N1C(=O)N[C@](C)(CC2=CCCCC2)C1=O 1875304541 NHZBHLFLLFXKEI-ORAYPTAESA-N 353.426 2.991 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)o2)CC2(CC2)C1 1875407203 UXMVXWGNPCUJMV-HZSPNIEDSA-N 359.470 2.739 0 50 FFAA Cc1nnc([C@H]2CCCN(Cc3cnnn3Cc3ccccc3)[C@H]2C)o1 886077534 GLSXISDZZOPDPH-KSSFIOAISA-N 352.442 2.786 0 50 FFAA O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 786396 TYPQGNBXOKNNJB-UHFFFAOYSA-N 350.484 2.924 0 50 FFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100556151 FIYMGZZZDXFXGI-HSAPRAMBSA-N 360.473 2.975 0 50 FFAA CO[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCc4cc(CCC(=O)O)ccc4C3)C[C@@H]21 2325775337 XTGJVDITRQCTRD-CADBVGFASA-N 357.450 2.650 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c(-c2ccnn2C)c1 2325785515 BXSXCZSWUOWPIE-OZOXKJRCSA-N 365.481 2.521 0 50 FFAA Cc1ccc(F)c2oc(C(=O)N3CCN(c4ccnc(O)c4)CC3)cc12 2325822730 LHBWIDKWIAJQQY-UHFFFAOYSA-N 355.369 2.943 0 50 FFAA Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)c1ccc(F)c2c1CCNC2 2325856508 SFSZWSDKWYCFKV-UHFFFAOYSA-N 364.424 2.699 0 50 FFAA COc1cccc(Oc2nc3ncn(Cc4ccccc4)c3c(=O)n2C)c1 1069928 DMTOMYPJDYUMLG-UHFFFAOYSA-N 362.389 2.979 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 2592703 RUCFIMSOQOXBBY-UHFFFAOYSA-N 359.179 2.684 0 50 FFAA CC1CCN(C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 2891109 QNTQUSNIFNGELU-ZDUSSCGKSA-N 358.891 2.753 0 50 FFAA Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 4001766 YICIKZOAJUXQMK-UHFFFAOYSA-N 371.462 2.557 0 50 FFAA CCOc1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1OC 4488171 KFLUENUNJOWHPL-UHFFFAOYSA-N 371.393 2.986 0 50 FFAA O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 4841728 BNTDWOGKMWDPLH-HNNXBMFYSA-N 350.374 2.714 0 50 FFAA CCCOc1cc(O)ccc1NC(=O)Cn1ncc(=O)c2ccccc21 225447076 XPEUJOODCCZSEF-UHFFFAOYSA-N 353.378 2.530 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225490775 KRWDLVATXKCOOP-IUODEOHRSA-N 352.312 2.754 0 50 FFAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)CSCc3ccccn3)n2)c1 225644055 HYFRGVHYLRAFSW-CYBMUJFWSA-N 368.466 2.681 0 50 FFAA COc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 100613724 SFTZIJQGQNTMBK-UHFFFAOYSA-N 364.401 2.592 0 50 FFAA biogenic COc1ccc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)cc1F 109652075 BIVDCIRLIGLKFP-UHFFFAOYSA-N 363.458 2.947 0 50 FFAA COc1ccc2c(C)c(C(=O)NCc3cccnc3-n3cncn3)oc2c1 65382358 IZCBCQQZLQSVMQ-UHFFFAOYSA-N 363.377 2.656 0 50 FFAA COc1ccccc1[C@H]1CNC(=O)c2nc(CCCN3CCCC3)[nH]c2C1 65384992 CYCHDATZHQTLSK-OAHLLOKOSA-N 368.481 2.516 0 50 FFAA CCCN(CCc1ccccn1)c1cc(N2CCCC[C@H]2CO)ncn1 249386265 WSKRQGZAASNVDF-SFHVURJKSA-N 355.486 2.682 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)C[C@@H](C)O1 229687823 WDLKKBFNWBKTFB-HLLBOEOZSA-N 370.449 2.507 0 50 FFAA O=C1CCCN1CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 328603332 FRURVZLWPWAUCR-DYESRHJHSA-N 366.465 2.713 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2Cc2nccn2C)cc1 12430189 XLQRJKCNAQIHIX-GOSISDBHSA-N 364.453 2.517 0 50 FFAA Cc1csc([C@@H]2CCCCN2C(=O)Cn2cnc3sccc3c2=O)n1 328812107 BFIZGJPRQHNPKO-ZDUSSCGKSA-N 374.491 2.977 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Cn1ccc(=O)c2ccccc21 219918238 GAQZOXFABDTFOX-UHFFFAOYSA-N 364.449 2.652 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C 77375430 OMTPSLKRHCEDQU-OAHLLOKOSA-N 358.891 2.718 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@@H](C(=O)c3ccccc3)C2)cn1 72411377 RDYPSDVXAWDYOA-GOSISDBHSA-N 355.438 2.541 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3n[nH]c4ccc(Cl)cc34)CC2)oc1C 329407277 CEAAWGDRSRDQAG-UHFFFAOYSA-N 373.844 2.779 0 50 FFAA Cc1cc(Cl)cc(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 282319034 JNTKKKCYXFPFBT-UHFFFAOYSA-N 370.902 2.679 0 50 FFAA CN(C)[C@H]1CCN(C(=O)Nc2ccc(OCCc3ccccc3)nc2)C1 151707395 NGIUCQBZRRRBGC-SFHVURJKSA-N 354.454 2.871 0 50 FFAA O=C(CCCC(=O)c1ccccc1)N[C@H]1CCOC[C@H]1C1CCOCC1 219494254 ROIUHMPMISQNSA-OALUTQOASA-N 359.466 2.988 0 50 FFAA Cc1noc(C)c1CCN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 127097119 FJEIEVFJJKVVKY-HXUWFJFHSA-N 353.422 2.790 0 50 FFAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)CN2CCCC2=O)CC1 77485965 HWGMHXGLLFFZLB-UHFFFAOYSA-N 366.465 2.714 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](N3CCCC3)C2)cnn1Cc1ccccc1 363118590 AUBDBBRXSUQHPI-IBGZPJMESA-N 352.482 2.940 0 50 FFAA O=C(O)[C@H]1CC2(CCN(C/C=C/c3ccccc3)CC2)CN1C(=O)C1CC1 72430271 ZWSLVLNIYHDTJO-ZLHKHBAESA-N 368.477 2.878 0 50 FFAA C[C@H]1C[C@@H](NS(=O)(=O)c2sccc2Br)c2nccn21 333023983 AFAKMKKRMXXOIO-IONNQARKSA-N 362.274 2.691 0 50 FFAA CC(C)N(CCc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C 72163811 YJJMSDNWTRHGCM-LJQANCHMSA-N 373.541 2.703 0 50 FFAA C[C@H](NCc1cnc2n1CCCC2)c1cccc(N2CCCS2(=O)=O)c1 367439466 UUBGTTOUMOQLQG-HNNXBMFYSA-N 374.510 2.610 0 50 FFAA Cc1cc(O)c(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)cn1 261899897 DRAIDTOSIPLUPM-QGZVFWFLSA-N 357.479 2.942 0 50 FFAA CCn1ccnc1CN(C)c1nc(-c2cccnc2)nc2c1c(C)nn2C 72481614 WXAZDNZETDKNNH-UHFFFAOYSA-N 362.441 2.587 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)ccc2F)c2cccnc2O1 158820793 NHRRFPRLVFETQE-GFCCVEGCSA-N 355.369 2.775 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 238077042 ULNRSNYCKIZETJ-VEGGFIAOSA-N 352.390 2.749 0 50 FFAA Cn1cc(Cl)c(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 218926572 ZMVCZCQELXDJMR-AJUCZRQESA-N 370.840 2.864 0 50 FFAA Cc1ccc(CCC(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 77489685 MGQIHHYGHNKCOV-UHFFFAOYSA-N 374.444 2.658 0 50 FFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 263011642 XHVLWPGQZKCVCT-QGZVFWFLSA-N 370.380 2.551 0 50 FFAA C[C@@H]1CCCN(C[C@@H](C)NC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 239637142 BJBXIHWOBUZJQH-GUDVDZBRSA-N 358.530 2.933 0 50 FFAA CCCCN(CC)c1ccc(C(=O)N2CCO[C@@H](c3nc(C)n[nH]3)C2)cc1 173604169 PVBSZCFHFQLYJK-GOSISDBHSA-N 371.485 2.953 0 50 FFAA CCNc1cc(C)nc(NCCNC(=O)Nc2ccc(F)cc2F)n1 72119417 YAVCNAFSEWSUMV-UHFFFAOYSA-N 350.373 2.729 0 50 FFAA O=C(Cc1ccc(C(=O)O)cc1)NC1(c2cccc(F)c2)CCOCC1 263374621 ZYVKDKCTSOUVEE-UHFFFAOYSA-N 357.381 2.889 0 50 FFAA Cc1nn(C)c2ncc(CN(CCN3CCOCC3)c3ccccc3)cc12 177652716 WNDQXJDYMSHRKX-UHFFFAOYSA-N 365.481 2.616 0 50 FFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(CCn2cccn2)CC1 82091590 WPCGUCJGSQWTNC-HXUWFJFHSA-N 367.497 2.744 0 50 FFAA CCc1nn2c(ncc3c(=O)n(CCC(=O)O)ccc32)c1-c1ccccc1 40387893 XOLWEYHXAXYZCY-UHFFFAOYSA-N 362.389 2.748 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2scnc2c1 223343991 GONDHAPMBSQVBH-IAGOWNOFSA-N 369.446 2.795 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@@H](C)CN3CCOCC3)cc(C)cc2c1C 82167237 OXQSMSKXBLOUKD-HNNXBMFYSA-N 357.498 2.932 0 50 FFAA COc1cccc(N2C[C@@H](C)N(C(=O)NCc3ccc(C)cc3)CC2=O)c1 426383307 OWRIKXHTOAKQLB-MRXNPFEDSA-N 367.449 2.951 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 40647493 SJCNAFPCRYNHOR-UHFFFAOYSA-N 370.474 2.733 0 50 FFAA CCc1cccc(OC2CN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)c1 82107330 HWSNTRYWEBAPPE-INIZCTEOSA-N 356.466 2.630 0 50 FFAA O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(N2CCCCCC2)nc1 195275755 AEOSCVSNYBGNAJ-MRXNPFEDSA-N 369.469 2.947 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](OCc2cccnc2)C1 82136793 DOOGZTVOQYBPOB-SFHVURJKSA-N 369.465 2.934 0 50 FFAA Cc1cccc(-n2cc(CNC(=O)N(Cc3cnn(C)c3)C3CC3)cn2)c1 426443191 IHRXUZWRVBXAES-UHFFFAOYSA-N 364.453 2.788 0 50 FFAA Cc1cccc2cc(C(=O)N3CCN(c4ccc5nccn5n4)CC3)oc12 426503965 HGEZHSDAXNWQIT-UHFFFAOYSA-N 361.405 2.746 0 50 FFAA CCc1csc(CCNC(=O)N(CCO)Cc2ccc(F)cc2)n1 426422710 BMVBJLHRHMOCIC-UHFFFAOYSA-N 351.447 2.591 0 50 FFAA O=C([C@H]1Cc2ccccc2CN1)N1CCCN(c2ccc(F)cc2)CC1 91915460 OTCZNOLDFWVBQY-HXUWFJFHSA-N 353.441 2.579 0 50 FFAA CC[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)c1cn2cccnc2n1 95388603 RPTPWSAOUZBHDB-OAHLLOKOSA-N 351.385 2.951 0 50 FFAA O=C(O)c1cc(C(=O)N2CCc3sccc3C2)n(-c2ccccc2)n1 237982313 LPZDAZKCAKBMGB-UHFFFAOYSA-N 353.403 2.831 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NCc3cccs3)[C@H](C)C2=O)c1 426415235 CHKJVLIMWYNGSE-OAHLLOKOSA-N 357.479 2.999 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(OC)cc3)C2=O)cc1 96182643 RQPGZVNJXLYENJ-GOSISDBHSA-N 354.406 2.516 0 50 FFAA CN(CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)c1ccccc1 91693994 ZNBIWZRKQQAUKG-GHTZIAJQSA-N 364.493 2.641 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1CC(=O)N(C2CCCC2)C1 91987242 CXWOUOGPWBZODL-CQSZACIVSA-N 360.458 2.525 0 50 FFAA CC(C)(C)Oc1ccc(CNC(=O)NC2CCN(CC3CC3)CC2)cn1 180605661 WPFJVYQTZKDSBW-UHFFFAOYSA-N 360.502 2.933 0 50 FFAA FC(F)(F)c1nnc2ccc(N[C@H]3CCCO[C@@H]3c3ccncc3)nn12 299745405 YUEHDIYCVWTWHW-SMDDNHRTSA-N 364.331 2.870 0 50 FFAA Cc1sc2nc(CCNC(=O)c3n[nH]c4c3CCCC4)nc(O)c2c1C 299768567 YDFWVKLSOWENFB-UHFFFAOYSA-N 371.466 2.588 0 50 FFAA Cn1ccn2ncc(C(=O)N3CCC[C@@H](COc4cccc(F)c4)C3)c12 299790252 BIAGTAGEOYHECD-CQSZACIVSA-N 356.401 2.743 0 50 FFAA Cc1nc2ccc(CC(=O)NCc3nncn3C3CCCCC3)cc2[nH]1 670471460 XBHXWPVUEDMWER-UHFFFAOYSA-N 352.442 2.827 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCO[C@H](c3ccc(F)cc3)C2)CC1 1506395537 JKZXVICVCZFREX-FQEVSTJZSA-N 369.440 2.899 0 50 FFAA CCc1nc(C)c(CN2CCOC3(CCN(c4ccncc4)CC3)C2)[nH]1 952866839 GDUBNNQLJFLGPQ-UHFFFAOYSA-N 355.486 2.547 0 50 FFAA Cc1cc(N2CCC[C@@H](N3CCCC3)C2)n2nc(C(F)(F)F)nc2n1 301089352 KLCPFHHAJBOUKZ-GFCCVEGCSA-N 354.380 2.516 0 50 FFAA Cn1c(S)nnc1CNC(=O)c1cc2c(s1)-c1ccccc1OC2 170621467 OKRFDFXONHHXCT-UHFFFAOYSA-N 358.448 2.655 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)n3ccc4ccccc4c3=O)C2)c1 279272748 WNBHHSIPAGIDRL-AEFFLSMTSA-N 364.449 2.931 0 50 FFAA Cn1ncc2c1C[C@@H](C(=O)OCc1csc(-c3ccccn3)n1)CC2 798765939 XMCHQGGSXFMHBO-LBPRGKRZSA-N 354.435 2.787 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(OC)c4ccccc4n3)CCN21 1616121822 JRVCSSTZZJHRPX-CVEARBPZSA-N 369.465 2.569 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)Nc1ccc2c(c1)OCO2 1506397429 TWVMFBYNQXYRDJ-KRWDZBQOSA-N 353.422 2.936 0 50 FFAA O=C(c1ccc2nn[nH]c2c1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704337886 GTVSOZQGVXHJKZ-KUDFPVQQSA-N 362.433 2.718 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](C4(O)CC4)C3)c2)n1 1772805024 WLXXHCJMHCQTSE-LJQANCHMSA-N 353.466 2.925 0 50 FFAA OC1([C@H]2CCCN2Cc2ccccc2OCCCCN2CCOCC2)CC1 1772819873 WKDGPMANOCKVDW-OAQYLSRUSA-N 374.525 2.667 0 50 FFAA CC(=O)Oc1c(C)cc(OCCCCC(=O)N(C)CCO)c(C)c1C 5679094 QIFZLVSTRWCABV-UHFFFAOYSA-N 351.443 2.537 0 50 FFAA Cc1ccccc1CC(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 12298520 HQLVINPJJVAWGV-FQEVSTJZSA-N 350.462 2.887 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccccc3)C2=O)c1 12303497 ZMSHWKSWHAGGHR-JOCHJYFZSA-N 352.478 2.981 0 50 FFAA COc1cccc(CN2C[C@@H]3C[C@@H](c4cc(C)n[nH]4)N4CCC[C@@]34C2=O)c1 12430182 SYFUFTASGUHGQB-LRQRDZAKSA-N 366.465 2.665 0 50 FFAA O=C1C[C@H](NC2CSCCSC2)CN1CCCc1ccccc1 12586444 PRTVSPFCYRMPCW-INIZCTEOSA-N 350.553 2.658 0 50 FFAA O=C(NCc1cc(C(F)(F)F)ccc1F)[C@@H]1CCC(=O)N(C2CC2)C1 12762233 VWVFEVCOBKJLCU-SNVBAGLBSA-N 358.335 2.862 0 50 FFAA CN(Cc1nccs1)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O 14980170 YZCOXXKQUDRVAO-SFHVURJKSA-N 351.516 2.509 0 50 FFAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ncc[nH]2)CC1 15073592 HUQHLLYIZPORKC-UHFFFAOYSA-N 357.454 2.806 0 50 FFAA COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1OC 19561048 DRLNNKCMVANLKT-UHFFFAOYSA-N 354.450 2.591 0 50 FFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccsc4)CC3)nn2)n1 169749789 ZBSOMJKJRAYVLL-UHFFFAOYSA-N 372.454 2.990 0 50 FFAA O=C([C@H]1CCCN(c2ccccn2)C1)N1CCc2[nH]nc(C3CC3)c2CC1 1857679685 QJDZAZXJZYHTDS-INIZCTEOSA-N 365.481 2.526 0 50 FFAA O=C(Cn1c2ccccc2c2cc(Cl)ccc21)N1CC[C@H](CO)[C@H](O)C1 1857711710 DCOQWQFOIJACQV-BFUOFWGJSA-N 372.852 2.650 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)[C@H]1CC[C@H](c2ccccc2)N1 1857736586 STYQOPRYRYOBDU-IAGOWNOFSA-N 356.495 2.853 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 408513243 FGULFEMWQFQOKV-FPMFFAJLSA-N 353.365 2.551 0 50 FFAA COCCn1c(C)cc(C(=O)CSc2nnnn2-c2ccccc2)c1C 1805652 CBZFTWYJGGQKRR-UHFFFAOYSA-N 371.466 2.702 0 50 FFAA O=C(Nc1cccc(N2CCCCC2=O)c1)c1n[nH]c2ccccc2c1=O 111563480 WFLXZPFMTQEBJA-UHFFFAOYSA-N 362.389 2.692 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)NCCc1ccccc1OC(F)F 330973665 DMKTXCJIKSQJAB-UHFFFAOYSA-N 362.442 2.929 0 50 FFAA CNCC1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 237359894 GPUUQVYRTQIYAF-UHFFFAOYSA-N 370.824 2.979 0 50 FFAA CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCCN(C(C)=O)C1 246898766 HHPSHJVHKUSQLZ-SFTDATJTSA-N 371.525 2.616 0 50 FFAA COC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)CCC1 252490326 KPPKVJIRARRFTK-GOSISDBHSA-N 358.482 2.686 0 50 FFAA CN(C)c1ccncc1CNC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 372302595 SNNZAJKBOZWSEN-AWEZNQCLSA-N 358.873 2.944 0 50 FFAA N[C@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1 163346750 FVJWGUWNBIQELS-QGZVFWFLSA-N 364.449 2.583 0 50 FFAA CN1CCC2(CCC(NC(=O)c3cnn(-c4cccnc4)c3)CC2)CC1 908499558 SPASWMBDHJIRPF-UHFFFAOYSA-N 353.470 2.652 0 50 FFAA Cc1ccccc1C[C@H](C)C(=O)NS(=O)(=O)c1ccnc(Cl)c1 860641159 COLKPOZBUXGGSC-LBPRGKRZSA-N 352.843 2.727 0 50 FFAA CC[C@@H](CC1CCCC1)C(=O)NCCn1cc(C[C@@H](CC)C(=O)O)nn1 1875355308 GQFNUWYRBCHOID-JKSUJKDBSA-N 364.490 2.654 0 50 FFAA COCCn1nc2c(c1C(=O)N(C)Cc1ccc(C)cn1)C[C@H](C)O[C@@H]2C 1875315600 AVRKKRLTNHIDHD-LSDHHAIUSA-N 372.469 2.527 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1N=c1ccc(Cl)c(C(F)(F)F)[nH]1 1875399168 QQWRTXFHHOJFMM-YUSALJHKSA-N 360.767 2.624 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3ncc(Cl)cc3Cl)C2)n1 886080004 PHZMHFVIMYBLIQ-OAHLLOKOSA-N 357.241 2.649 0 50 FFAA Cc1cc(F)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 888100375 FOVCFBAQCWJRRW-MNOVXSKESA-N 360.838 2.971 0 50 FFAA O=C(O)C[C@]1(O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1772716655 LXKBSQXRPGMVKS-OAQYLSRUSA-N 367.401 2.847 0 50 FFAA Cc1nc2cc(C(=O)N3C[C@@H]4CC[C@H]3CN(C(=O)N(C)C)C4)ccc2s1 1073383646 IPZMQKFGQBJJCC-HIFRSBDPSA-N 372.494 2.823 0 50 FFAA COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1 828126 NXXCEZQDFIFXRX-UHFFFAOYSA-N 357.431 2.922 0 50 FFAA CCn1ncc(Br)c1C(=O)Nc1ccc2c(c1)OCCO2 4594428 BSVGLJPEYYLNOA-UHFFFAOYSA-N 352.188 2.689 0 50 FFAA CC1(C)C[C@@H](c2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)no2)CN1 2325805896 BXKOIIRFVVZZOV-GFCCVEGCSA-N 364.396 2.707 0 50 FFAA C[C@@H]1CC[C@@H](NC(=O)c2ccc3cccnc3c2)CN1C(=O)c1cnco1 2325871775 ZBHGXGMBPNAGCJ-CZUORRHYSA-N 364.405 2.646 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)c1 868285342 GESRFNXPPCZMLS-MRXNPFEDSA-N 356.344 2.731 0 50 FFAA O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2 815453 WIJGIJULWWQSOJ-UHFFFAOYSA-N 350.465 2.575 0 50 FFAA COC(=O)c1ccc(C(=O)Nc2nc3c(OC)cc(N)cc3s2)cc1 911865 BDYUTQNZTVOWRR-UHFFFAOYSA-N 357.391 2.926 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc2ccccc2c1 1122658 UXVNUKSXFHQAQZ-UHFFFAOYSA-N 373.364 2.862 0 50 FFAA O=C(COc1ccc(Br)cc1CO)NCc1ccccc1 1126941 NJKPMZDFZVICQX-UHFFFAOYSA-N 350.212 2.637 0 50 FFAA COC(=O)c1ccc(CNC(=O)COc2ccccc2Br)o1 1140884 AJSXSWHVWYDAAJ-UHFFFAOYSA-N 368.183 2.524 0 50 FFAA O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12 2543434 GTNYXRNLXOXWBQ-UHFFFAOYSA-N 351.381 2.839 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)CC2)cc1 2356141941 WXKLXTSGPXABNA-FQEVSTJZSA-N 351.450 2.957 0 50 FFAA CCc1ccccc1CN1CC[C@H]2[C@@H]1CCN2c1ccc(C(=O)O)nn1 2356166438 XTBMDZOLMIEVOV-ROUUACIJSA-N 352.438 2.590 0 50 FFAA Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCN(C)C)cc1 4803127 LTVZJJFZTFHIHY-RGEXLXHISA-N 369.440 2.583 0 50 FFAA O=C(O)CCN1C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2C1=O 4826678 KXSRVTOZESIBFU-UHFFFAOYSA-N 372.764 2.663 0 50 FFAA COc1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 4867025 UDMLRVDJAQOWCR-MRXNPFEDSA-N 354.406 2.856 0 50 FFAA Cc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 4867969 APIZJOIOBSYXPI-MRXNPFEDSA-N 361.438 2.964 0 50 FFAA Cc1cc(NC(=O)C(=O)Nc2c(C)cnn2Cc2ccccc2Cl)no1 55074218 LZNZQYMTPGYAPH-UHFFFAOYSA-N 373.800 2.767 0 50 FFAA CN(C)CCn1cc(C(=O)NCC2CCN(C3CC3)CC2)c2ccccc21 225550299 ZLWHKLXTXKHNAL-UHFFFAOYSA-N 368.525 2.807 0 50 FFAA CN(C)C(=O)[C@H](OC(=O)C(F)(F)C1(O)CCCCC1)c1ccccc1 225664224 PYSQNYPOMYYFIO-CQSZACIVSA-N 355.381 2.690 0 50 FFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 55414243 DJNNLBVTSCGATG-CYBMUJFWSA-N 360.797 2.868 0 50 FFAA COc1cc(C)c(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)cc1C 23619571 TZXLOHDEXMVOEH-MRXNPFEDSA-N 358.486 2.664 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 106031882 UKCQNZVRBHDBIS-UHFFFAOYSA-N 358.511 2.709 0 50 FFAA COCC[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1 67713464 FNZDPTCTBWWYSF-SFHVURJKSA-N 352.438 2.634 0 50 FFAA C[C@H](c1nnc(SCC(=O)O)n1-c1ccc(F)cc1F)n1cccn1 65398425 MEJSCZZKSZGXSS-SECBINFHSA-N 365.365 2.528 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NCCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 67790649 FNCDIZVNBHNKKZ-LLVKDONJSA-N 359.499 2.636 0 50 FFAA Cc1nccn1-c1ccc(N2CCC(NCCc3cnccn3)CC2)cc1 23250527 RTRBUZQSRICHQX-UHFFFAOYSA-N 362.481 2.772 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@H]1CC12CCOCC2 328626423 FBLYIRZUGPPLRI-YQQAZPJKSA-N 366.502 2.936 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1[C@H](CN[C@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 252515063 GNTBGPAULDJTDJ-ULQDDVLXSA-N 364.530 2.981 0 50 FFAA COc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)ccc1O 71759781 LKSZQPHYEMVEKG-MRXNPFEDSA-N 360.454 2.510 0 50 FFAA O=C(O)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F 4666110 BLNNAPTWPAAZLE-SKDRFNHKSA-N 355.272 2.970 0 50 FFAA CC(C)Cc1cc(C(=O)N2CC(Oc3cccc(Cl)c3)C2)nc(N)n1 215762558 XYPZQJNCYHIMNY-UHFFFAOYSA-N 360.845 2.814 0 50 FFAA CCCc1ncncc1C(=O)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 219032369 SEOYLAAVWGJMAN-QZTJIDSGSA-N 359.401 2.535 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@@H](OCc4cccnc4)C3)c2n1 215447987 VYNJLAJIGNPQMD-LJQANCHMSA-N 351.454 2.922 0 50 FFAA C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)s1)C1(N2CCOCC2)CCCC1 330357499 SWHZSLVPYAGDEU-CQSZACIVSA-N 374.510 2.902 0 50 FFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)CCn1c(C)csc1=O 331595702 VBKLZPVQICFWPB-NSHDSACASA-N 374.388 2.654 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc(-n2cnnn2)cc1 71752142 BVPOKZDVTWRBLQ-CQSZACIVSA-N 374.404 2.923 0 50 FFAA C[C@H](C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1)N1CCOCC1 72477044 OCPJDQMVPPRPBO-CQSZACIVSA-N 368.880 2.981 0 50 FFAA O=C(c1ccccc1O)N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 72454521 IAMIQJCOANZPCA-IBGZPJMESA-N 368.477 2.534 0 50 FFAA CC1(C)C[C@H](NC(=O)Cc2ccccc2C(N)=O)c2ccc(F)cc2O1 364614598 FITVGKOCVYQNFP-INIZCTEOSA-N 356.397 2.886 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O 155199763 SLSSJYIJEGJJSA-CQSZACIVSA-N 352.360 2.676 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78144499 RZBOGFUWFMOEHO-IBGZPJMESA-N 351.454 2.724 0 50 FFAA Cc1ccc(CN2CCN(c3cc(C)nc4c(C)c(C)nn34)CC2=O)cc1 72478241 SGCINUOSEBPJBI-UHFFFAOYSA-N 363.465 2.812 0 50 FFAA Cc1nc(S)sc1CC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 130370226 QDJRGAXVGXDXRN-UHFFFAOYSA-N 370.521 2.509 0 50 FFAA COc1ccc2[nH]nc(CN3CCCN(c4ccnc(C)c4)CC3)c2c1 72153781 FYSPIRKEXMCEIR-UHFFFAOYSA-N 351.454 2.987 0 50 FFAA C[C@H]1N(C(=O)c2cccc(CN3CCCC3=O)c2)CCC12CCOCC2 374946777 CQOSPCKFYXJBOV-MRXNPFEDSA-N 356.466 2.840 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C1 375623999 JJKODWWWHNYISJ-QGZVFWFLSA-N 353.426 2.663 0 50 FFAA CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)N[C@H]2CCCC[C@H]2C)C1=O 240555843 GXTLHRYKIREWHE-LDBYXDLTSA-N 371.481 2.847 0 50 FFAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cccc(O)c1C)C2 71752143 MIGMXNBQVLDMIW-UHFFFAOYSA-N 352.438 2.598 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)c3ccccc3Cn3cncn3)c2)n1C 378217994 PIHZAYSOAZIPSM-UHFFFAOYSA-N 373.420 2.683 0 50 FFAA Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(-n2cccn2)n1 72115740 DSGIHROKXQTVPM-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3ccccc3C)nn2)n1 72119120 ROHGPTXNRLTNSX-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA COCCN1CC[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77539714 RMFZTJKTBGPBPK-OAHLLOKOSA-N 366.889 2.678 0 50 FFAA COC1CCC(NC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)CC1 458074484 WHYFTKWLTKMKSE-UHFFFAOYSA-N 364.396 2.600 0 50 FFAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)cc1Cl 48296215 KDJNBXVPHJVIDV-CYBMUJFWSA-N 372.856 2.788 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)C1(N2CCOCC2)CCCCC1 222530367 UDSWBPQXNJIJLO-UHFFFAOYSA-N 358.482 2.663 0 50 FFAA Cc1noc(C2CCC(NC[C@@H]3CCCN(c4ncccn4)C3)CC2)n1 225510523 VNMHNTOUXTWTGV-GTPINHCMSA-N 356.474 2.700 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)NCCCn3nc(C)nc3C)cc2)n1 426431897 MWLPMWOITCDFFJ-UHFFFAOYSA-N 364.453 2.789 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cccc2c1OCCO2 222280654 PBPWDOSOUPIADI-UHFFFAOYSA-N 351.362 2.780 0 50 FFAA COc1cccc(CC(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@@H]2C)c1 222524586 MIUCZJYQRMSDFG-KRWDZBQOSA-N 366.461 2.806 0 50 FFAA O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC[C@H](CN2CCOCC2)C1 19744845 JFYFWCJDVOWXPG-OAHLLOKOSA-N 369.465 2.890 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)CC2)c1 97527793 NPQCIOXNWBZIOA-LJQANCHMSA-N 363.461 2.630 0 50 FFAA Cc1ccc2nc(COCC(=O)NC[C@H](c3cccs3)N(C)C)[nH]c2c1 97570964 JDWAVCBIQKFOLN-MRXNPFEDSA-N 372.494 2.869 0 50 FFAA COc1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)ccc1F 95522226 TXZIHPUANRQTJU-MRXNPFEDSA-N 374.460 2.612 0 50 FFAA COCC[C@@H]1CN(C(=O)c2ccc(-c3cncc(OC)c3)cc2)CCO1 426519049 ZQKUQXHPHAWSJJ-GOSISDBHSA-N 356.422 2.635 0 50 FFAA C[C@H](CNC(=O)c1cnc(CSc2ccccc2)nc1O)n1ccnc1 91655825 FTRLHNGXBLUNCX-CYBMUJFWSA-N 369.450 2.662 0 50 FFAA Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C(C)(C)N)CC2=O)cc1 91452466 FSWNYJATAYFRIN-LJQANCHMSA-N 365.477 2.519 0 50 FFAA COc1ccccc1N1CCN(Cc2cn3cc(C)ccc3n2)CC1=O 91974177 QKYLWOPTQSHSBS-UHFFFAOYSA-N 350.422 2.500 0 50 FFAA Cn1nc(C2CC2)cc1NC(=O)NCc1nc(Cc2cccs2)no1 97759223 WZTHFTJEDCYJRO-UHFFFAOYSA-N 358.427 2.655 0 50 FFAA Cc1cccc([C@H](C(=O)NCCCn2nnc3ccccc32)N(C)C)c1 95370147 SNCCLQKMUFFDOP-LJQANCHMSA-N 351.454 2.549 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2COc3ccccc3C2)n1 95498391 QHMVGMQFELJHCB-GFCCVEGCSA-N 351.328 2.671 0 50 FFAA Cc1oc2c(c1C(=O)NCCCc1nnc3ccccn13)C(=O)CCC2 244811769 SKVFADWXNNFVEE-UHFFFAOYSA-N 352.394 2.512 0 50 FFAA NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2COc3ccccc3C2)c1 181244857 QKQZRGZFUFGRBB-MRXNPFEDSA-N 365.433 2.576 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@H]1[C@@H]3C4[C@H]5C=CC(C=C[C@@H]45)[C@H]3[C@H]12 252427225 XQNVACDZHJISQC-JWUAYJDWSA-N 350.414 2.541 0 50 FFAA Cn1c(C(=O)N2CC[C@H](CN)C2)ccc1-c1cccc(Br)c1 299739580 QIAOIUOEZXAGFY-GFCCVEGCSA-N 362.271 2.875 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc3c(c2)CCO3)cc1OC 299746606 YLUOWQQUPUMVKH-OAHLLOKOSA-N 371.389 2.585 0 50 FFAA COc1ccc(CN2CCN(C(=O)NCCCC(C)(C)C)CC2=O)cc1 534639318 VBIBENNYIKFWMC-UHFFFAOYSA-N 361.486 2.875 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(CN2CCOCC2)cc1 299757915 IJZBFYPSZUTUHY-UHFFFAOYSA-N 369.421 2.569 0 50 FFAA Cc1nc([C@H](C)NC(=O)Nc2cccc(-n3nnnc3C)c2)c(C)s1 299779440 VMLGDYCUCQXJCR-VIFPVBQESA-N 357.443 2.927 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1cccc(-c2cncnc2)c1 299791032 CKRFUVSQPLBKAK-UHFFFAOYSA-N 373.460 2.933 0 50 FFAA Cc1ccc2nc(CN3CCC(N4CCSCC4)CC3)nc(N)c2c1 299761206 WWCZYWHWBRYAAA-UHFFFAOYSA-N 357.527 2.534 0 50 FFAA O=C(CCN1CCCCC1=O)Nc1cccc(NC(=O)c2cccnc2)c1 828069296 KBZMEQSEFVXPBS-UHFFFAOYSA-N 366.421 2.675 0 50 FFAA C[C@@H](c1nc(Cc2cccs2)nn1-c1cccnc1)N1CCOCC1 822276819 QEJRMNKBTCOIGC-AWEZNQCLSA-N 355.467 2.708 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)NCC[C@H](C)n3ccnc3)CC2)n1 584897829 WVELWXDWHDQCMG-AWEZNQCLSA-N 360.462 2.930 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)NCCCc1ccc(Cl)cc1 584888859 QTQGJAOMIPXRPA-UHFFFAOYSA-N 354.878 2.703 0 50 FFAA C[C@H](Cn1cncn1)C(=O)NCCOC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 952965944 SQWIMVVBXAFAMN-SVHNOVSESA-N 360.502 2.796 0 50 FFAA COc1ccccc1CN1CCN(C2CCN(C(=O)C3CCC3)CC2)CC1 952979205 MXGRLBHKTNPTBX-UHFFFAOYSA-N 371.525 2.604 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 952969110 RVXKKQSWXLZLMS-GFCCVEGCSA-N 353.426 2.619 0 50 FFAA O=C(NC[C@H]1CCNC[C@@H]1O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 1565516270 HJAZMNFBKYFICK-AIIKMOJASA-N 368.521 2.611 0 50 FFAA Cc1nc(S)sc1CC(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 165558066 GZLZDJMKEPJZCX-NSHDSACASA-N 360.863 2.925 0 50 FFAA Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1 171294399 XNFHBTDUKZAYCX-CQSZACIVSA-N 374.412 2.915 0 50 FFAA O[C@H]1CN(Cc2cc(CN3CCCCC3)cs2)C[C@@H]1Cc1cnccn1 1615953492 DJUSOCOHSROEMF-PXNSSMCTSA-N 372.538 2.559 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1ccc2nonc2c1 1506396164 IOYXYSJLLTYAFB-UHFFFAOYSA-N 361.423 2.669 0 50 FFAA O[C@@H]1CN(C2CSCCSC2)C[C@H]1Cc1ccc2ccccc2n1 1529154156 HVWZBACNVPOFFE-DNVCBOLYSA-N 360.548 2.919 0 50 FFAA COc1cc2c(cc1CNc1cncc(C(=O)N3CCCC3)n1)CCC2 1704300146 VRRKSWZTVLUWQJ-UHFFFAOYSA-N 352.438 2.822 0 50 FFAA COc1cc(OC)cc(C(=O)N2CC[C@H](c3cccc(OC)c3)[C@@H](O)C2)c1 210113140 LJYUDASLXDAJBQ-UXHICEINSA-N 371.433 2.703 0 50 FFAA COc1cccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c1OC 219343532 RSRYNQJZAAVHQI-SJORKVTESA-N 369.417 2.573 0 50 FFAA CCC1=NO[C@H](CN2CCCN(C(=O)c3csc(C(C)C)n3)CC2)C1 1772708935 DAZDLJIFRRZFHR-HNNXBMFYSA-N 364.515 2.969 0 50 FFAA CCOc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1CO 1772818838 LYNAXHJCCIKSFB-UHFFFAOYSA-N 356.466 2.656 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1 5050975 GKJGDLPXEKUARX-UHFFFAOYSA-N 355.438 2.708 0 50 FFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(NC(C)=O)cc2)C1 12199252 DZBLTIVFYWMKNM-FQEVSTJZSA-N 362.470 2.827 0 50 FFAA C[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2Cc2ccccc2F)C1 12317298 MZLRMZODFPQYAP-CQSZACIVSA-N 365.474 2.706 0 50 FFAA Cc1nc(CNC(=O)[C@H]2CCCN(C3CCN(C(C)C)CC3)C2)cs1 12386969 ISGDLTCXNXQSPG-INIZCTEOSA-N 364.559 2.653 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N[C@H]1C[C@@H]1c1ccc(F)cc1F 1857527083 ZAIDXTLDIVATRW-HIFRSBDPSA-N 363.364 2.946 0 50 FFAA CC[C@@]1(C(=O)N2CCC(F)CC2)C[C@@H]2CC[C@H]1N2C(=O)c1cnc(C)cn1 1857667181 PBXKZDQGXLOLHQ-XAUMDUMWSA-N 374.460 2.519 0 50 FFAA NC1CCN(C(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CC1 1857672763 GKKNSXGPGGXJIY-LBPRGKRZSA-N 362.861 2.647 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2n[nH]c3ccccc23)[C@H]1c1ccccc1 1857719755 SUFDBPARYLOCKD-ICSRJNTNSA-N 364.449 2.707 0 50 FFAA Cc1cc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)on1 216918331 ZAWWGRMBBDHAOO-APWZRJJASA-N 365.477 2.616 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1cccc(F)c1 248001592 CFBOGLQZYZSUPN-MJGOQNOKSA-N 370.472 2.913 0 50 FFAA COC1(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CCC1 252490327 KPPKVJIRARRFTK-SFHVURJKSA-N 358.482 2.686 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n[nH]1 162058175 QNDKIQDQSQDPGZ-WMLDXEAASA-N 358.461 2.817 0 50 FFAA CCc1nc(C)c(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)[nH]1 1704330844 HICQCUIZTYPTOI-FQEVSTJZSA-N 354.502 2.617 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cc3ccccc3nc2C)CC1 853704731 XLCQBKRBIPFMTH-HNNXBMFYSA-N 371.437 2.611 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@H](C)c2cnccc2C)[C@H]1c1cnn(C)c1 952887157 JRZGLUMIIHPEOF-QINHECLXSA-N 355.486 2.774 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccccn1)C1CCNCC1 1875287605 QXRAWXBLCQBNTG-UHFFFAOYSA-N 361.449 2.866 0 50 FFAA CCOc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1OC 1875314523 CGNOWVACHIPWJJ-OLZOCXBDSA-N 373.453 2.780 0 50 FFAA CN=c1[nH]c(N2CCN(c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)ncc1F 1875356227 LDSWBMIXKGASKI-NSHDSACASA-N 369.366 2.813 0 50 FFAA NCc1cccc(CCC(=O)N[C@@H](Cc2ccccn2)c2ccccn2)c1 1875340710 ODUMQDKWVAHDLI-NRFANRHFSA-N 360.461 2.968 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 1875371249 UYQQPRHESUYPAR-WBVHZDCISA-N 362.857 2.665 0 50 FFAA O=C(N[C@@H]1CN(C(=O)c2ccnn2C2CCC2)[C@H]2CCCC[C@@H]12)C1CC1 1875407963 LDBMKPHHOURATL-BBWFWOEESA-N 356.470 2.518 0 50 FFAA O=C(NC[C@@H]1CCN(c2ncc(Oc3ccccc3)cn2)C1)C1(F)CC1 1875407661 FQNFMMVOQYLLTH-AWEZNQCLSA-N 356.401 2.714 0 50 FFAA COCc1cc(C2CN(C(=O)C[C@H](O)c3ccc(Cl)cc3)C2)no1 886084675 YDRXAGWUJVMVPA-INIZCTEOSA-N 350.802 2.524 0 50 FFAA O=C(c1ccc2cc[nH]c2n1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 2100539794 YVCLBYHSTDFEBQ-UZLBHIALSA-N 372.428 2.787 0 50 FFAA O=C(CCc1ccccc1N1CCOCC1)N[C@@]12CCCC[C@@H]1OCC2 2325766872 YGKXQSPFXZTTTO-PZJWPPBQSA-N 358.482 2.674 0 50 FFAA Cn1nnc(CS(=O)(=O)Cc2cc(C3CCCC3)on2)c1C(F)F 2325777234 NHXQADMRODJUKX-UHFFFAOYSA-N 360.386 2.513 0 50 FFAA CC[C@@]1(C)C[C@@H]1C(=O)NC1(CNC(=O)C(C)(C)C2CCOCC2)CC1 2325793064 DMNURDBUAUOTDI-BEFAXECRSA-N 350.503 2.640 0 50 FFAA CC[C@H](SC)C(=O)NC[C@H]1C[C@H](NC(=O)C[C@H](C)c2ccco2)C1 2325794140 RPGJNXQTVFOSLF-YXWQFLTLSA-N 352.500 2.926 0 50 FFAA CCc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 1219724 SDRNAKLRBTUXGS-QGZVFWFLSA-N 352.434 2.927 0 50 FFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(Cc3cccnc3)n21 2356138415 AWHBBGNHBYKQSL-ZDUSSCGKSA-N 351.385 2.506 0 50 FFAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)OCCc2ccsc23)C1 2356146856 XWQXWTZCKAIXLU-HNNXBMFYSA-N 350.484 2.843 0 50 FFAA COC1(CN(C)C)CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 2356162508 LNIFBNQGXWKKIZ-UHFFFAOYSA-N 358.404 2.817 0 50 FFAA Cc1ccc(CN(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 4664511 VIIFDWILKLMFFC-UHFFFAOYSA-N 353.827 2.924 0 50 FFAA Cc1ccc(-n2nnnc2CSc2nnnn2-c2ccccc2)c(C)c1 6760396 VOTDFACJKGECTD-UHFFFAOYSA-N 364.438 2.547 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1OC 10131823 BYFBSRXUABIGAK-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA COc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1OC 10311847 RVZQSEJLCLHAHP-UHFFFAOYSA-N 353.407 2.856 0 50 FFAA C1=C(c2cnn(-c3nccc4ccccc34)c2)CCN(CCn2cncn2)C1 67541538 PQLYAIWRLWNWKW-UHFFFAOYSA-N 371.448 2.801 0 50 FFAA CCc1ccc(-c2cn3c(C(=O)NC[C@@H](C)C(=O)NC)csc3n2)cc1 67783765 WRQKWKOZTBULGV-GFCCVEGCSA-N 370.478 2.737 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cccc4c3NCCC4)CC2)nc1 67692147 VFCGVIRJGUNUCK-UHFFFAOYSA-N 351.450 2.872 0 50 FFAA COc1cc(O)ccc1CN1CCN(Cc2ccc(C)cc2)[C@@H](CCO)C1 23361155 YMVQWNOVZYFRPX-FQEVSTJZSA-N 370.493 2.778 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 67805287 GDKPJDRSIGFKHW-CYBMUJFWSA-N 359.474 2.611 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc2ccc(C(C)C)cc2[nH]1 67919724 IPTMEZAABQXVDI-LPHOPBHVSA-N 370.497 2.702 0 50 FFAA Cc1cccc(-c2noc(CN(C)c3cc([C@@H]4CCCNC4)ncn3)n2)c1 67842301 AEEOEBXGVCQFRG-MRXNPFEDSA-N 364.453 2.938 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)CCc1cn2ccccc2n1 65380932 VICYBEFQIDNZSI-UHFFFAOYSA-N 353.426 2.966 0 50 FFAA CC(C)CN(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 67965222 KRHFZESMQBGZKY-UHFFFAOYSA-N 370.497 2.720 0 50 FFAA COc1nc2c(cc1CNC(=O)CCC1CC1)C(=O)N(C1CCCC1)C2 71759945 SBFWSDXDTYNDPO-UHFFFAOYSA-N 357.454 2.795 0 50 FFAA Cc1nccn1CC[C@H](NC(=O)c1cc(CO)ccn1)c1ccccc1 215014653 GTPUTDPWBHTKDW-SFHVURJKSA-N 350.422 2.640 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCc2nnc(-c3ccccc3)n2CC1 215331566 ZIPWLUDMOCMPGT-UHFFFAOYSA-N 365.437 2.567 0 50 FFAA Cc1nc(O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)cc1Br 129766829 ASGLXXUBZDJGRG-SECBINFHSA-N 373.247 2.660 0 50 FFAA CC(C)=CCN1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 71499222 PZVBWZMKRZLLSJ-UHFFFAOYSA-N 370.541 2.840 0 50 FFAA COc1ccc(CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 15363153 QRBHUTRCXDAWEF-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1O 77406011 RMHDJGXEWDQICP-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA CC(C)c1cc(CN(C)c2nc(-c3cccnc3)nc3c2CCNC3)on1 71388856 YNHBFWMHSZVSPO-UHFFFAOYSA-N 364.453 2.932 0 50 FFAA CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3C(=O)O)cs2)cc1 236869559 LIIVBWVPBKELKX-HNNXBMFYSA-N 360.435 2.827 0 50 FFAA COc1cccc(CN2CCN(C(=O)CCc3ccc(F)cc3)CC2=O)c1 77485334 IBFSATVXHGANHP-UHFFFAOYSA-N 370.424 2.638 0 50 FFAA O=C(C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1)N1CCOCC1 215625736 OOYURVAIQKZDCC-UHFFFAOYSA-N 372.513 2.595 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)n(C)n1 13961518 VFGBWTCJVNDLOH-UHFFFAOYSA-N 352.797 2.947 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3ccc(C)cc3OC)C2)CCC1=O 77437228 BEBFSTRZNKQYAH-NRFANRHFSA-N 360.498 2.855 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@](C)(C(=O)O)C2)c1 237641451 RBOLUZGKZNVECB-IBGZPJMESA-N 358.394 2.807 0 50 FFAA O=C(O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccccc1 238010468 ZRZABGXLAYJBJG-DYVFJYSZSA-N 372.808 2.635 0 50 FFAA C[C@H](C(=O)N1CCc2ccccc21)N(C)C[C@H]1COc2ccccc2O1 239306045 GIZOASJLYNSRGY-WBVHZDCISA-N 352.434 2.736 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 225390491 YELVIGDJVYDDQK-HOCLYGCPSA-N 361.442 2.611 0 50 FFAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1ccccn1 40391572 DXONBIPGEOFFCO-UHFFFAOYSA-N 372.363 2.689 0 50 FFAA CCc1ocnc1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1 48121586 WXTNHPLYETYGNW-UHFFFAOYSA-N 352.394 2.738 0 50 FFAA CC(C)(CNC(=O)N(C/C=C/c1ccccc1)C1CC1)N1CCOCC1 426624748 IWWCRMFPVRPVKX-RMKNXTFCSA-N 357.498 2.985 0 50 FFAA O=C(O)c1cnc(-c2cccc(C(=O)N3CC[C@H]4CNC[C@H]43)c2)c(Cl)c1 426486166 NCVVHMVEFLBQSF-XJKSGUPXSA-N 371.824 2.534 0 50 FFAA CC(C)Nc1cc(-c2ccc(C(=O)N(C)[C@H]3CCN(C)C3)cc2)ncn1 426444885 IBXCEDKBKXKHKR-KRWDZBQOSA-N 353.470 2.740 0 50 FFAA O=C(c1cccc(F)c1F)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 91643842 FFKJDCPWPHBDHF-DZGCQCFKSA-N 350.409 2.680 0 50 FFAA CCOc1ccccc1CN1CCC2(CC1)c1nc[nH]c1CCN2C(C)=O 91626385 AQDHBDQLBDFFNC-UHFFFAOYSA-N 368.481 2.704 0 50 FFAA COCCn1cncc1CNC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 95506405 IOPQTHJIRQDBGG-UHFFFAOYSA-N 368.441 2.654 0 50 FFAA Cc1cnccc1N1CCN(Cc2sc(N(C)C)nc2Cl)CC1 97654114 WZWHKQVYMNCFJP-UHFFFAOYSA-N 351.907 2.888 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccnn2-c2ccccc2)nc2c1CCC2 96151797 DHBFHEBHVJVPPZ-UHFFFAOYSA-N 362.437 2.824 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCC[C@](O)(CN(C)C)CC3)c2c1 92038604 YENGSSIRLZLNSR-JOCHJYFZSA-N 371.525 2.941 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CC[C@@H]1c1ccc(F)cc1 91651501 JJPLOZKFNMOMBI-MRXNPFEDSA-N 350.353 2.971 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3ocnc3-c3ccccc3)CCO2)cn1 295611443 DEUBQMNUAACUAA-INIZCTEOSA-N 352.394 2.772 0 50 FFAA CCN1CCC[C@@]2(CCN(C(=O)CCCOCc3ccccc3)C2)C1=O 92002387 IQVPHHZSNLDCKF-NRFANRHFSA-N 358.482 2.844 0 50 FFAA O=C(NCCOCc1ccc(Cl)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 91416785 QMCGYJKAICGQNK-HNNXBMFYSA-N 364.873 2.764 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)CCn1c(CO)nc2ccccc21 97480531 UXCCFAIJNAPDST-LJQANCHMSA-N 367.449 2.501 0 50 FFAA CC(=O)N(C)c1ccc(-c2cccc(C(=O)N(C)CCN(C)C)c2)cc1 299795073 JLNCAEFDNUNXPF-UHFFFAOYSA-N 353.466 2.970 0 50 FFAA O=C(COCC(F)(F)C(F)F)NCc1cnn(-c2cccc(F)c2)c1 299787183 PSELXKTWTYXBHP-UHFFFAOYSA-N 363.286 2.545 0 50 FFAA Cc1nc(O)c(Cl)c(-c2cccc(C(=O)N3CC[C@@H](N(C)C)C3)c2)n1 584886981 IUWOUZMIWNPNOO-CQSZACIVSA-N 360.845 2.587 0 50 FFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)c1cc(C)c(C)n(C)c1=O 952990098 GARHCSZOXYRDRQ-UHFFFAOYSA-N 357.410 2.612 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)C4CC4)C3)n[nH]2)cc1 952963521 KPHJMEKWXBSIRT-MRXNPFEDSA-N 352.438 2.516 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)oc1C 270491197 UALHYKUEPVOKCR-IBGZPJMESA-N 369.465 2.753 0 50 FFAA COC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)ccn1 168909147 HVRVJHZMVGAWCN-AWEZNQCLSA-N 352.312 2.772 0 50 FFAA C[C@@H]1CCCN(c2ccccc2OCc2nnnn2CC2CCOCC2)C1 277571618 SUYNBWSJOXTTCN-MRXNPFEDSA-N 371.485 2.915 0 50 FFAA Cc1cc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c2ccccc2n1 301409844 OJGJWRMQCGBKLE-LJQANCHMSA-N 368.525 2.774 0 50 FFAA Cc1cc(C)c(N2CC[C@H](N3CCN(c4ccccn4)CC3)C2=O)c(C)c1 190354683 XPNAEPLOKZDDGR-IBGZPJMESA-N 364.493 2.934 0 50 FFAA CC(C)(CNC(=O)Nc1ccc(S(C)(=O)=O)nc1)c1ccccc1F 195156498 KGEQYXAXFAKASC-UHFFFAOYSA-N 365.430 2.724 0 50 FFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529112630 QLZBNONTMNCJQV-HZPDHXFCSA-N 354.372 2.641 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1704297587 UAPBGEVLBZNXKP-APWZRJJASA-N 374.506 2.915 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3cc(Cl)no3)CC[C@@H]21 215469030 RJHHUFNXPJGIPF-OCCSQVGLSA-N 353.850 2.510 0 50 FFAA CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccc(Cl)cc2)C1=O 5005921 ISNDNYKIMWBWIB-IBGZPJMESA-N 370.792 2.907 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](N2CCCCC2)CC3)o1 14748467 DFFFEYBVOMBWHE-OAHLLOKOSA-N 356.470 2.595 0 50 FFAA NC(=O)c1cc(N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)nc2ccccc12 1857668509 RMZFSUCFHXPAFT-QFIPXVFZSA-N 372.428 2.824 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857668649 LXISKPDHNLDELX-LMNJBCLMSA-N 367.445 2.878 0 50 FFAA OC[C@]12COCC[C@H]1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 1857669229 JIWYZLUPYIIWHN-QFBILLFUSA-N 359.857 2.628 0 50 FFAA Cc1c(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccncc2)nc2ccccn12 1857696944 GBUIIIZEUSPDRY-IBGZPJMESA-N 358.405 2.549 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CCO[C@H]4C[C@H](CO)C[C@@H]43)oc12 1857698771 HRJKUEMOIOYGJD-SWHYSGLUSA-N 365.813 2.707 0 50 FFAA O=C(c1cn2c(n1)CCNCC2)N1CCCCC[C@@H]1c1cccc(F)c1 1857718055 LYCOWQZHMXXPNJ-GOSISDBHSA-N 356.445 2.925 0 50 FFAA CCCCc1ccc(NC(=O)N2CCC3(CC2)CNC(=O)CCO3)cc1 1857736277 ISVNIHYLKAOBNQ-UHFFFAOYSA-N 359.470 2.932 0 50 FFAA CCCOc1ccc(OCCN2CC[C@@H](O)[C@@](CO)(CCC)C2)cc1 1875242489 VLZFEMRQKQVZIH-UXHICEINSA-N 351.487 2.700 0 50 FFAA CCCC[C@@H]1CN(c2cc(N3CCC(O)CC3)ncn2)C[C@H](C(C)C)O1 1875249615 JGGMGGRPTMUEKK-QZTJIDSGSA-N 362.518 2.858 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 248028722 WZCRFSGEJAQTRM-SJORKVTESA-N 352.438 2.550 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(CCCc2ccccc2)C3)n(C)n1 248066970 WNVIZFFCROJWLG-UXHICEINSA-N 366.509 2.898 0 50 FFAA Cc1c(C(=O)Nc2cccc(-c3nncn3C)c2)cnn1C1CCOCC1 161735224 NRKPGEWCOZPWJQ-UHFFFAOYSA-N 366.425 2.591 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccccc3F)C1)CC2 1704299084 NOEPJAQUYHCHFU-FQEVSTJZSA-N 354.429 2.802 0 50 FFAA O=C(c1ccco1)N1CC[C@@]2(CO)CCCN(Cc3ccsc3)[C@@H]2C1 1704311787 CMSAEMFTEZUDNF-IEBWSBKVSA-N 360.479 2.830 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(CC(=O)O)cc3)C1)CC2 1704307767 DVLBOGZBXFCWHJ-NRFANRHFSA-N 351.450 2.892 0 50 FFAA O=C(NC12COC(CO)(C1)C2)c1cc(-c2cccs2)nc2ccccc12 1875299299 GZZPQDWWGOOGBZ-UHFFFAOYSA-N 366.442 2.987 0 50 FFAA CN(CCOC1CC1)C(=O)c1cc2cc(Br)cnc2n1C 1875297153 DZOMKAOGMPEWKT-UHFFFAOYSA-N 352.232 2.587 0 50 FFAA CN1CCC(C(=O)Nc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)CC1 1875329070 BXKDFUSXXHBOPZ-UHFFFAOYSA-N 367.375 2.626 0 50 FFAA O=C([C@@H]1CC(c2ccncc2)=NO1)N1CC[C@@H](C(F)(F)F)C(F)(F)C1 1875396497 JTJRREKGWMAPGD-NWDGAFQWSA-N 363.286 2.621 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cc1 1875363398 YDTYNPZJFPSNMS-AWEZNQCLSA-N 354.410 2.597 0 50 FFAA Cc1nccc2c(S(=O)(=O)N3C[C@@H]4CCCC[C@]4(CN)C3)cccc12 1875317100 OQXAZHZWEABSHN-KXBFYZLASA-N 359.495 2.683 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)C1 1875379223 PQIRSXSFOBSDGP-HUUCEWRRSA-N 361.511 2.754 0 50 FFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ncccc1Oc1ccccc1 888079339 XVVMXMMZJCUOLK-LJQANCHMSA-N 356.378 2.580 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc3n(n2)CCCO3)C(F)F)cc1F 888092646 OFKZJUNEIGRQDR-AWEZNQCLSA-N 355.316 2.550 0 50 FFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c2ncccc12 4784164 YVJMCYGEOIGUFK-UHFFFAOYSA-N 372.402 2.831 0 50 FFAA Cc1cc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)nc(-c2ccccc2O)n1 2100555564 XEEKHQKNHSSOJZ-DNVCBOLYSA-N 362.433 2.592 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CO[C@H](Cn4cccn4)C3)cc2)c1C 2325784944 VSPSYGYTOYEFKM-APWZRJJASA-N 365.437 2.729 0 50 FFAA C[C@H]1CC[C@@](C)(C(=O)N(C)CCNC(=O)C2([C@@H]3CCCO3)CC2)C1(C)C 2325866504 NLRAVFIQWFMVPX-FTRWYGJKSA-N 364.530 2.983 0 50 FFAA C[C@H]1CCO[C@H]1CC(=O)N(CCNC(=O)C1CC2(CCC2)C1)CC1CC1 2325866653 UDUOVNRUUNRHPI-YJBOKZPZSA-N 362.514 2.737 0 50 FFAA CCCCC(=O)NC[C@@H](C)CN(C)C(=O)c1ccc(-c2ncon2)cc1 2325868317 WFSHBLYCQWSRQY-CQSZACIVSA-N 358.442 2.751 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Br)cc1 629633 JTXAZYHFWIYHKD-GFCCVEGCSA-N 355.257 2.805 0 50 FFAA CS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 796206 UDZFJFDDEQNPQR-UHFFFAOYSA-N 351.255 2.604 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c(F)c1F 1109134 YDKRMFVHLNRWGW-UHFFFAOYSA-N 365.340 2.810 0 50 FFAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)N1CCOCC1 4943766 SGIDNSNOAVLGHO-UHFFFAOYSA-N 350.806 2.664 0 50 FFAA COc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCCCC1 6747274 HKWVYSPLNGIHGE-UHFFFAOYSA-N 366.483 2.542 0 50 FFAA COc1cc(CCO)ccc1NCC(=O)N1CCSc2ccccc21 225656173 GNULNSXENNBHOZ-UHFFFAOYSA-N 358.463 2.781 0 50 FFAA C[C@H]1C[C@H](NC(=O)N2CCC3(CCNC3)CC2)CCN1Cc1ccccc1 417825823 BLESRUYNAMMWKZ-AZUAARDMSA-N 370.541 2.825 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2noc3ccccc23)s1 23581542 QWSRGRSMVLUFKE-CYBMUJFWSA-N 355.419 2.894 0 50 FFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCO[C@H](c2ccc(F)cc2)C1 117557113 WUQXKXXSJLZDKD-SFHVURJKSA-N 366.396 2.684 0 50 FFAA CCn1c(C2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)n[nH]c1=O 67789521 NCWVCDFZHFQONC-UHFFFAOYSA-N 358.490 2.742 0 50 FFAA Cc1scc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c1-c1ccccc1 67790516 HORVAOKNBFJGTN-RDJZCZTQSA-N 371.506 2.790 0 50 FFAA O=C(Cc1cc2ccccc2[nH]c1=O)N[C@H]1CCOc2ccc(F)cc21 171936439 RNXQSDKAMYWVIY-KRWDZBQOSA-N 352.365 2.850 0 50 FFAA COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1OC 71795176 FTEPFXQWKWVIIJ-OLZOCXBDSA-N 351.399 2.739 0 50 FFAA Cc1cccc(N2CCC(NC(=O)c3cn(-c4ccccc4)nn3)CC2)c1 72158847 SMGKHXSTPZVPNA-UHFFFAOYSA-N 361.449 2.975 0 50 FFAA CC(C)Cc1cc(CNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)on1 216182668 QFZJIYIJRQQSGW-GFCCVEGCSA-N 354.410 2.530 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@@H](CO)C(C)C)c1 330675575 JKOHVXRDZKATNR-RBUKOAKNSA-N 360.498 2.679 0 50 FFAA CCn1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 219434541 IXHUPFHNHFUDHS-ITXXBFQVSA-N 350.422 2.693 0 50 FFAA CCN1C(=O)C[C@H](C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)[C@H]1c1cccnc1 333044441 FPPHWRBZADPXTE-DVHLYRJSSA-N 365.477 2.662 0 50 FFAA COc1cccc(CN2CC[C@H](N3CCCCC3)C2)c1OCCN(C)C 215569623 IZDKFXKKOLFBIF-IBGZPJMESA-N 361.530 2.696 0 50 FFAA CCCCN(C)C(=O)c1cn2cc(-c3ccc(OC)cc3)n(C)c(=O)c2n1 72411819 JOXMGMWASFVXNS-UHFFFAOYSA-N 368.437 2.581 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)c1 72412498 VUSVPATYLYDJMI-OAQYLSRUSA-N 366.465 2.763 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cn1 491457772 VHDCJXRJAKJBSH-NSHDSACASA-N 355.364 2.675 0 50 FFAA CC(=O)N(CCC(=O)Nc1cccc(OCC(=O)O)c1)Cc1ccccc1 262088399 CGTXSTRVOBUXKJ-UHFFFAOYSA-N 370.405 2.527 0 50 FFAA Nc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)ncn1 72408413 KFMPDRFBNGZXLH-DLBZAZTESA-N 355.486 2.767 0 50 FFAA C[C@@]1(CN)CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 262172883 YQBSUTULIPKUIB-KNQAVFIVSA-N 365.477 2.745 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)C1 238016192 SQMFFWBQRWCGBI-VDZSZVPASA-N 370.449 2.930 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)Cc3cc(C)no3)CC2)OC1=O 77423188 RHMIXZHQLHFQAO-UHFFFAOYSA-N 363.458 2.775 0 50 FFAA COc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)[C@H](C)C2=O)cc1 72154222 ZOFOKCGTIRYCCJ-CQSZACIVSA-N 350.422 2.809 0 50 FFAA O=C(NCc1csc2ccc(Cl)cc12)[C@@H]1CC2(CCNCC2)CN1 72146910 JUIGVZKAMBRDOC-HNNXBMFYSA-N 363.914 2.903 0 50 FFAA COCCn1ccnc1CN1CCC(N2CCc3ccccc3C2)CC1 215564138 QUKOKOQAWRJFAC-UHFFFAOYSA-N 354.498 2.552 0 50 FFAA CCc1c(C(=O)NCC2(N(C)C)CCOCC2)cnn1C(CC)CC 239869285 CXYHFVOEVLVGRO-UHFFFAOYSA-N 350.507 2.647 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCO[C@H](C(F)(F)F)C1 71730586 PTSCRJAWSFLBSS-ZDUSSCGKSA-N 352.316 2.624 0 50 FFAA Cc1nnc(-c2cccc(NS(=O)(=O)NCc3ccccc3)c2)s1 71759034 MJEAYDZGNVIHAT-UHFFFAOYSA-N 360.464 2.960 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3[nH]cnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72163921 ZEQBMSLMLLQGGG-MISYRCLQSA-N 350.466 2.729 0 50 FFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1 320945099 FHLHXVQPPZMFIV-LBPRGKRZSA-N 361.847 2.618 0 50 FFAA Cc1cccc2c1OC[C@@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C2 290974244 IVVZKDCESGVFRG-ZDUSSCGKSA-N 368.359 2.550 0 50 FFAA CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccn1 17075470 QTOCGPKSAIVYBM-UHFFFAOYSA-N 367.478 2.811 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(Cl)ccc1OCCN 426438533 FFXPXXYAWYCCRK-UHFFFAOYSA-N 362.861 2.552 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)c1 82134391 QFAKCAZCJRCWKN-KRWDZBQOSA-N 370.449 2.565 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCO1 178279573 PJENCWHHYFURCE-MRXNPFEDSA-N 360.797 2.691 0 50 FFAA Cc1cccc([C@@H](NC(=O)N(Cc2cnn(C)c2)CC(C)C)C(=O)O)c1 426444457 FLGQCESRESZLRZ-QGZVFWFLSA-N 358.442 2.722 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N(C)Cc1nc(O)c2ccccc2n1 426425157 GPRXEIJVSQHYTH-CYBMUJFWSA-N 353.426 2.875 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccc3cccc(F)c3n1)CC2 426374152 JHKRTIAVFOTKRP-HFSMHLIXSA-N 374.456 2.895 0 50 FFAA O=C(c1cncc(F)c1)N1CCC(c2nccn2Cc2cccnc2)CC1 95525147 GSMNIAQNXPEKGL-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA O=C(NCCCn1nnc2ccccc21)c1ccc(-c2ccccc2)[nH]c1=O 96152262 OYFXHIBYXJCDIV-UHFFFAOYSA-N 373.416 2.607 0 50 FFAA CCCc1nc(C)c(CNC(=O)c2cc3c(n(C)c2=O)CCCC3)s1 426470892 PNCGHIKCRQZGRV-UHFFFAOYSA-N 359.495 2.912 0 50 FFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@H]1CC(=O)Nc2ccccc21 426548523 NDHGNLNKNKKLBU-HNNXBMFYSA-N 362.389 2.821 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4CC)C(=O)[C@H]13)O2 239203495 SMBHTVWBJZTLQK-WKRCXCSHSA-N 355.434 2.879 0 50 FFAA COc1ccc(CCC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 91288925 BKUSFUHWIBJCDA-QFIPXVFZSA-N 370.493 2.879 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 95353840 QVHPZYPUOIJNPQ-QZTJIDSGSA-N 354.454 2.719 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 96164748 MWGLOAFXHOYCHX-JTQLQIEISA-N 354.309 2.574 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)ccn1 95378951 XMJWIQKLKZNVJB-GOSISDBHSA-N 368.481 2.544 0 50 FFAA O=C(Nc1cccc(OCc2ccccc2)c1)NC1CCN(CCO)CC1 95508259 SWZAXVFBKOQSKQ-UHFFFAOYSA-N 369.465 2.844 0 50 FFAA O=C(c1ccc2c(c1)CCCN2)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91873375 BPKUEZBNPDHNFZ-MAUKXSAKSA-N 363.465 2.576 0 50 FFAA COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2O)cc1OC 96511488 GIBITLJOGFKFCN-UHFFFAOYSA-N 363.366 2.930 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3ncccc3c2)[C@H]2C[C@@H](O)C2)cn1 244872774 WEEMQQXJHXDYAY-FUHIMQAGSA-N 363.417 2.880 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 243892787 ALFUEECPBSXQMY-GPMSIDNRSA-N 360.479 2.996 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1C[C@@H](c2cc(O)ncn2)C1 253535697 MFESPNBZUWJUDX-BJHJDKERSA-N 354.385 2.716 0 50 FFAA COCCN1Cc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2OCC1=O 263619278 XWQBVAXMYRYSGR-OAHLLOKOSA-N 368.433 2.545 0 50 FFAA CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 299783219 ZVLODCRYZCGJDD-UHFFFAOYSA-N 363.421 2.965 0 50 FFAA C[C@H](CCC(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCCC1 299759276 FCXAULOXPOCVAS-MRXNPFEDSA-N 365.468 2.874 0 50 FFAA CN(C)C(=O)CCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299778319 PYFYUDJDZNYCRC-BBWFWOEESA-N 354.454 2.783 0 50 FFAA Cc1cc2nc(C(=O)N[C@H]3CCCN(Cc4cccs4)C3)cc(C)n2n1 825292562 YCXYHQJZLAOQEM-HNNXBMFYSA-N 369.494 2.802 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 748014214 JXZZCRPTTNNDJW-JTQLQIEISA-N 367.496 2.778 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 952973584 OJZNVSCMBCTJSA-LBPRGKRZSA-N 365.389 2.785 0 50 FFAA CC1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)CC1 952963654 CPQCDDFDTWNWAC-UHFFFAOYSA-N 356.466 2.840 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c1 952989763 OXADDTZBDWIRTL-INIZCTEOSA-N 358.463 2.982 0 50 FFAA O=C1CCC[C@H]1[C@H]1CCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 270992963 XBIXIMVGRUQWHK-FUHWJXTLSA-N 367.449 2.525 0 50 FFAA CCCn1cc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cn1 275398209 AXLCEOSLGZIPRW-QGZVFWFLSA-N 369.469 2.582 0 50 FFAA O=C(NCC(=O)N1CCc2ccccc21)N1CCc2cc(Cl)ccc2C1 188278593 UFKFTMDGCPXFLG-UHFFFAOYSA-N 369.852 2.997 0 50 FFAA c1ccc([C@@H]2COC[C@@H]3CN(Cc4ccc5c(c4)OCCO5)CCN32)cc1 1613882159 XSAOHUBDHJSZEQ-PMACEKPBSA-N 366.461 2.716 0 50 FFAA O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1C[C@H](O)[C@@H](F)C1 1616157658 QEIDJEZFLBSSJW-ROUUACIJSA-N 369.371 2.833 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CCOCC2)CC1 1260769053 NFZXLIUXFPOCNU-UHFFFAOYSA-N 353.484 2.893 0 50 FFAA CC(=O)N[C@@H]1CCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506411334 IPERZUUJBIWWPN-MRXNPFEDSA-N 352.500 2.500 0 50 FFAA CN(C)C(=O)c1ccc(NC[C@@H](c2cccnc2)N2CCCCC2)nc1 1704343898 KTOKOWQBQSRSFK-SFHVURJKSA-N 353.470 2.818 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)NC3CCCCC3)C1)CC2 1704300005 XBVUGSBLZCVFSP-FQEVSTJZSA-N 357.502 2.865 0 50 FFAA O=C(CSc1ccccc1)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12314202 XSXAUMPQAVNTPB-KRWDZBQOSA-N 354.475 2.739 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)CC)C1 12507428 QDGQQVKEGSTPRU-GOSISDBHSA-N 353.484 2.533 0 50 FFAA O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@H](CCCO)C1 14974743 DIEIAYCRUMLTNC-CQSZACIVSA-N 362.861 2.605 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H](C)c1cnn(-c2ccccn2)c1C 14980279 XYQPYFIBHAJOGO-LBPRGKRZSA-N 353.426 2.991 0 50 FFAA COc1cnc(C)cc1C(=O)NCc1noc(-c2c(F)cccc2F)n1 1857670763 YTOQQFXGSGLYSY-UHFFFAOYSA-N 360.320 2.657 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(C)nc3ccc(F)cc13)C2 1857680762 OGOASIZSFQALGH-LJQANCHMSA-N 357.385 2.739 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2CCn1c(=O)oc2ccccc21 1857681057 WNBDGIKXDSIDSG-JNAXZKDPSA-N 358.438 2.791 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(Cc2cc[nH]n2)C[C@@H]3C(=O)O)cc1 1857691829 YQJYEYLUXHGGAF-LJQANCHMSA-N 368.481 2.517 0 50 FFAA Cn1cc(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)c(C(F)(F)F)n1 121871523 ZJVDNWPJRWNFEG-UHFFFAOYSA-N 369.343 2.875 0 50 FFAA O[C@@H](COc1ccc(CNCC2CC2)cc1)CN1CCc2ccccc2C1 12759015 MTCDMOBLFKRZMS-JOCHJYFZSA-N 366.505 2.984 0 50 FFAA CC(=O)N[C@@H](C)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 252499043 RUHRNLKZVSNFCQ-ZDUSSCGKSA-N 362.424 2.887 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)sc1C 151420374 NJURRQSQAMBRBM-CVEARBPZSA-N 363.527 2.847 0 50 FFAA CCc1ccc(CCCC(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 1704303053 IBABGBSUKVRAGQ-IFMALSPDSA-N 358.526 2.877 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCS[C@H](C)C2)(c2ccccc2)CC1 829878475 MGBVXKRVBHUNFW-MRXNPFEDSA-N 358.507 2.697 0 50 FFAA CC[C@@H](NC(=O)c1cc(O)nc(C2CC2)n1)[C@@H](O)c1c(F)cccc1F 847593312 ALZFYXQQHRXZRB-MLGOLLRUSA-N 363.364 2.580 0 50 FFAA CC(C)NC(=O)C1CCN(C(=O)c2cc(Cc3ccccc3)c[nH]2)CC1 1875283229 KESXZSFFTFMDBG-UHFFFAOYSA-N 353.466 2.982 0 50 FFAA C=CC(=O)NCCc1ccc(CNC(=O)C2(C)C[C@H](C)O[C@@H](C)C2)cc1 1875386699 WXIGMZGEVCJPKE-HOTGVXAUSA-N 358.482 2.741 0 50 FFAA O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 888099932 FESYJSREHNPIPR-LBTNJELSSA-N 359.445 2.914 0 50 FFAA O=C(c1onc2ncccc12)N1CCCN(c2nc3ccccc3o2)CC1 2100556482 BFVLULDBVOPRTN-UHFFFAOYSA-N 363.377 2.717 0 50 FFAA Cc1cncc(C(=O)NC[C@H](C)NC(=O)c2ccc3cccnc3c2)c1C 2325871500 NXWPKWQVAHRFKU-AWEZNQCLSA-N 362.433 2.795 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Br)c1 756588 REPDOYBEWNSOAO-GFCCVEGCSA-N 355.257 2.805 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)cc1 862520 HCBDHIXWHXEVIQ-KRWDZBQOSA-N 369.446 2.832 0 50 FFAA COc1cc2[nH]c(=S)n(Cc3ccc4c(c3)OCO4)c(=O)c2cc1OC 2194788 ZYKYOXKWKCZXHJ-UHFFFAOYSA-N 372.402 2.853 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N(C)C[C@@H]3CCC(=O)N3)ncnc21 2356135913 YHLKEIZVSLGNLG-AWEZNQCLSA-N 358.490 2.540 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2F)cc1 4694947 FGJBYFOOCKWHMU-UHFFFAOYSA-N 354.378 2.532 0 50 FFAA COc1ccc2c(c1)N(C(=O)Cc1ccn(-c3ccc(F)cc3)n1)CCO2 225425408 YKNFRRBFISNQMO-UHFFFAOYSA-N 367.380 2.988 0 50 FFAA COc1cc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1 57364002 QTEXSFXLVCFRLH-UHFFFAOYSA-N 373.428 2.604 0 50 FFAA O=C([C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)N1CCC(c2nnc(S)n2C2CC2)CC1 246995338 CXRRLNCSOLIANY-RHMLRGBNSA-N 358.511 2.900 0 50 FFAA CC(=O)N[C@@H](C)CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67712817 HRDJYDOOCPJSRC-AWEZNQCLSA-N 354.454 2.697 0 50 FFAA c1cnc(-n2cccc2CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 20998283 PGLDWTSYVUVFOR-FQEVSTJZSA-N 373.504 2.989 0 50 FFAA CCC[C@H](C)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67654886 RYFWAHSYXGAUDC-INIZCTEOSA-N 360.502 2.619 0 50 FFAA Cc1occc1-c1noc([C@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)n1 350417405 AVWIQMJMUBLLLJ-OAHLLOKOSA-N 368.393 2.704 0 50 FFAA CCn1c(CC2CCN(Cc3c[nH]c4c(C)cccc34)CC2)nn(C)c1=O 67895016 NYTWSZANZPOJIV-UHFFFAOYSA-N 367.497 2.846 0 50 FFAA CCn1c(C2CCN(Cc3[nH]c4ccc(F)cc4c3C)CC2)n[nH]c1=O 67820688 BJEFCRKUGXPTPG-UHFFFAOYSA-N 357.433 2.900 0 50 FFAA O=C(O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c23)cc1F 471973342 PBTVNKZYLPNJHG-UHFFFAOYSA-N 352.318 2.945 0 50 FFAA Cc1cc(N2CCN(CCc3ccncc3)CC2)nc(-c2cccnc2)n1 65534173 CNNZKNUNBDFGFB-UHFFFAOYSA-N 360.465 2.607 0 50 FFAA Cc1cccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 65363586 LTBYZYZCQJYCBF-INIZCTEOSA-N 372.490 2.734 0 50 FFAA COc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c2ccccc2n1 216133524 CBJOUUXVIGYOMY-OAHLLOKOSA-N 367.449 2.718 0 50 FFAA COc1ccccc1COC1CCN(Cc2cc(CN(C)C)on2)CC1 253430802 OELMTUVZPXVELB-UHFFFAOYSA-N 359.470 2.926 0 50 FFAA NC(=O)COc1ccc(/C=C/C(=O)N2CC[C@H]2c2ccccc2F)cc1 363347069 CFWATVDFLMUUMA-HKMNZKMDSA-N 354.381 2.677 0 50 FFAA COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1c(C)ccn(C)c1=O 155301986 KXHZNJROWXTTQX-INIZCTEOSA-N 355.438 2.941 0 50 FFAA O=C1[C@H](n2nc(-c3ccco3)oc2=O)CCN1[C@H]1CCCc2ccccc21 367398807 KOXBSNTUEMAILF-JKSUJKDBSA-N 365.389 2.947 0 50 FFAA CCc1nccn1CCC(=O)N1CC[C@H](c2cc(OC)ccc2OC)C1 77523466 KQFGBQIQLWUVNF-HNNXBMFYSA-N 357.454 2.869 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@H](n4ccnn4)C3)cc12 333352086 BHPXGXVDVACHAE-LBPRGKRZSA-N 358.471 2.827 0 50 FFAA Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCc3nnnn3CC2)cc1 333809088 ZUDZMBOZNCNLOT-SJORKVTESA-N 354.458 2.623 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333980100 BXZZJQSECIOMCO-WMZOPIPTSA-N 361.507 2.998 0 50 FFAA O=C(c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1)c1cc[nH]c1 238043150 MOBIBDNUXOMZHR-LJQANCHMSA-N 374.396 2.897 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 238020160 GFSLSLIVINFQFP-LSDHHAIUSA-N 361.344 2.848 0 50 FFAA Cc1sc2nc(CN3[C@H](C(N)=O)C[C@@H]4CCCC[C@H]43)nc(O)c2c1C 372834121 BBFNEOWNVQNJSR-XQQFMLRXSA-N 360.483 2.632 0 50 FFAA CC(C)c1ccc(OCCN(C)C(=O)[C@@H]2CC3(CCNCC3)CN2C)cc1 72478912 QJUASXFGBAJNRU-FQEVSTJZSA-N 373.541 2.721 0 50 FFAA Cc1cc(CNC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)n1 284323899 WAOQXVMPTATUEY-UHFFFAOYSA-N 358.417 2.672 0 50 FFAA COC[C@H]1CN(C(=O)Nc2ccc(OC)c3ncccc23)CC(C)(C)O1 284595001 JHWURNOGLHEFLG-CYBMUJFWSA-N 359.426 2.901 0 50 FFAA CNC(=O)CC1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 174306358 NFWFEJDUCHVVGK-SFHVURJKSA-N 363.477 2.951 0 50 FFAA COCCc1ncc(CN2CCCN(Cc3ccccc3F)CC2)cn1 72128409 FKDZKEWZFMXNIH-UHFFFAOYSA-N 358.461 2.513 0 50 FFAA O=C(O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 226087276 SPPJKQWFHDUAMW-UHFFFAOYSA-N 352.239 2.620 0 50 FFAA CN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 176243653 WNDSMZXIJNYRCJ-UONOGXRCSA-N 369.412 2.545 0 50 FFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc2cc[nH]c2c1 49543739 IPXBJFIRLMZPAM-ZOBUZTSGSA-N 358.467 2.832 0 50 FFAA biogenic Nc1ccsc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82107882 VIPWZWOYCLRFFK-UHFFFAOYSA-N 373.526 2.995 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)c1 426674219 MOQLCWFXFCALIJ-SFHVURJKSA-N 350.418 2.907 0 50 FFAA Cc1cc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1Cl 226562726 NEQWYAKNXDUCNI-JHNDHUHGSA-N 371.824 2.560 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2cccnc2)ccc1Br 41095668 MNQZULRJMSAYKJ-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)NCc2noc(C(C)C)n2)cc1 426690266 IVORAOPMFQRRHL-UHFFFAOYSA-N 359.474 2.775 0 50 FFAA CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 266043927 BRERAECDZKMDEI-KDOFPFPSSA-N 361.438 2.980 0 50 FFAA CC(C)n1cnnc1CCNC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 96153767 WCSQNFHUXSJHEN-QGZVFWFLSA-N 373.457 2.781 0 50 FFAA CCn1nc(C)c(CNC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1C 426615187 QPRUOBOIVQVVQL-SFHVURJKSA-N 371.485 2.806 0 50 FFAA COCc1cc(CN(C)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n[nH]1 97674153 WCZYELXWYXWQPU-UHFFFAOYSA-N 367.331 2.723 0 50 FFAA CCCc1nc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cs1 91807599 PFUFLGVFCGEACY-ZIAGYGMSSA-N 361.467 2.741 0 50 FFAA COCCN(Cc1ccc(F)cc1)C(=O)CN1CCCCCCCC1=O 95528108 QVPOLZUDKRDZTI-UHFFFAOYSA-N 364.461 2.984 0 50 FFAA CCc1ccccc1OC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 91708013 NGYXVNNPRHSCOE-UHFFFAOYSA-N 359.447 2.556 0 50 FFAA Cc1nc2sc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(C)c2c(=O)[nH]1 97732569 UEGXFVSSUKGVMY-VIFPVBQESA-N 367.434 2.969 0 50 FFAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239046279 FMOBYPQXHDYUMX-PGVPJVLKSA-N 364.445 2.629 0 50 FFAA COc1coc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1=O 95391422 JXJXIUFWHVLYHF-CYBMUJFWSA-N 367.361 2.676 0 50 FFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccc(Cl)c(Cl)c1)CC2 95387931 JRNUCXHJAKAASM-LBPRGKRZSA-N 371.264 2.891 0 50 FFAA Cn1nc(CNC(=O)c2nc3ccccn3c2F)c2c(Cl)cccc21 91616769 VCWWIPLOLDNXOX-UHFFFAOYSA-N 357.776 2.944 0 50 FFAA Cc1ccnc([C@H](NC(=O)C2CCN(C3CCOCC3)CC2)C2CC2)c1 97759403 UHAJTODZXSHBTA-HXUWFJFHSA-N 357.498 2.848 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCCNc1ccc(C)cn1)C2 92046661 HITOFLYULIYDDZ-INIZCTEOSA-N 355.438 2.568 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@H](c3nccn3CCOC)C2)cs1 95511646 AFOHVQKDURILKY-AWEZNQCLSA-N 362.499 2.958 0 50 FFAA Cc1c[nH]nc1C1CCN(CCC(=O)Nc2ccsc2C(=O)O)CC1 244659801 HIXWIJFJOSDTFR-UHFFFAOYSA-N 362.455 2.686 0 50 FFAA COCc1noc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)n1 534592671 NZVIXECGEGMMBW-UHFFFAOYSA-N 355.398 2.572 0 50 FFAA CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC(C)C)C2 299777307 OIHQESQPNGWERD-GHMZBOCLSA-N 351.472 2.788 0 50 FFAA CN1CCC(C(=O)N2CCC[C@@H]3CN(Cc4ccc(F)cc4)CC[C@H]32)CC1 299802814 WTJOIIUXGBMKNQ-TZIWHRDSSA-N 373.516 2.980 0 50 FFAA O=c1c2ccccc2c(O)nn1CCNCc1ccc(-c2ccccn2)cc1 952982959 NOWVNPWEDVACIT-UHFFFAOYSA-N 372.428 2.954 0 50 FFAA Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(c3nc4ccccc4o3)C2)n1 952963325 GVBYJZPSVSWMGS-MRXNPFEDSA-N 367.453 2.674 0 50 FFAA O=C(NCc1ccccc1F)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565510906 UKXBFTIZPXVUFB-WBVHZDCISA-N 372.396 2.614 0 50 FFAA Cc1cccc(-c2nc(C(=O)N3CCOC4(CCOCC4)C3)c(C)[nH]2)c1 270198095 BRDGGTSUGCUHMO-UHFFFAOYSA-N 355.438 2.715 0 50 FFAA CCOc1ccc([C@@H](C(=O)O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 87489407 YFNIXSDTFXXPLJ-INIZCTEOSA-N 364.442 2.764 0 50 FFAA in-vitro CC[C@H](C)Oc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)ccn1 273932653 WFEIRVBMGGMXOM-USXIJHARSA-N 360.454 2.859 0 50 FFAA COc1cc(OC)c2ncnc(NC3CCN(C(=O)C(C)C)CC3)c2c1 170613106 GVALHBHZODPOKS-UHFFFAOYSA-N 358.442 2.706 0 50 FFAA NC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCC2 1143533 RVVVOAPRJPWAAF-UHFFFAOYSA-N 355.213 2.944 0 50 FFAA CN(CC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCC1 1529107142 WRSIOMWQEPCALK-UTKZUKDTSA-N 367.493 2.783 0 50 FFAA O[C@H]1CN(C2CSCCSC2)C[C@H]1Cc1ccnc2ccccc12 1529168857 OIPJMVHMUMKOFY-BEFAXECRSA-N 360.548 2.919 0 50 FFAA CCOc1ccc(CCCC(=O)N(CCO)Cc2cnc(C)[nH]2)cc1C 1704325093 DGOMOYZXRQDMOJ-UHFFFAOYSA-N 359.470 2.769 0 50 FFAA Cc1cnc(CNS(=O)(=O)c2cc(Br)sc2C)o1 155390986 WQRMZLKSDKAASQ-UHFFFAOYSA-N 351.247 2.594 0 50 FFAA CCOc1cc(CN2CCC[C@@H]2C2(O)CC2)ccc1OCCn1ccnc1 1772816374 OYXXPJMMBVVBBZ-HXUWFJFHSA-N 371.481 2.850 0 50 FFAA C[C@@H](Sc1nnnn1-c1ccccc1Cl)C(=O)Nc1nccs1 11692793 FFPRWBCBNVAFAY-MRVPVSSYSA-N 366.859 2.892 0 50 FFAA COc1cccc(OCc2nc(C(=O)N(C)Cc3cccnc3)co2)c1 11937895 BPDPOWWOPPZFOC-UHFFFAOYSA-N 353.378 2.929 0 50 FFAA CCCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2=O)C1 12054457 KSERGAXXPJPJGR-HXUWFJFHSA-N 362.445 2.976 0 50 FFAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@H](Cn2ccnc2)C1 19714762 XRQXYXXLODWYTA-QGZVFWFLSA-N 368.485 2.524 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3cc(F)ccc23)C1 19770917 JPGURYKNFPWTJA-OAHLLOKOSA-N 367.428 2.551 0 50 FFAA OCCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccs1 19772621 UFACGGNHBKWTPM-UHFFFAOYSA-N 359.407 2.521 0 50 FFAA CN1CCN(C(=O)COc2ccc(C(C)(C)C)cc2Br)CC1 19877150 FLYJUIZOVNRWKB-UHFFFAOYSA-N 369.303 2.899 0 50 FFAA COc1ccc(C(=O)NC2CCOCC2)cc1Oc1ccc(CN)cc1F 1857687865 ISLARXAGFSSSTR-UHFFFAOYSA-N 374.412 2.994 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3Cc3cn4nc(C)sc4n3)c2n1 1857695997 HSOIAAAWVFGDGV-UHFFFAOYSA-N 364.438 2.671 0 50 FFAA CO[C@@H]1CC[C@H](c2nc(-c3ccccc3)nn2CCc2cnc[nH]2)C[C@H]1N 1857710023 DSJIVGJYEDEJJN-CGTJXYLNSA-N 366.469 2.521 0 50 FFAA CCSCC(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3C)C[C@]23CC[C@H]1O3 1857722757 NCCYFKQQDKFJPY-QEUVDIPISA-N 374.550 2.844 0 50 FFAA C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 114714115 HFLNGBQDBVEZEJ-OWCLPIDISA-N 357.454 2.691 0 50 FFAA O=C(NC1CCCC1)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 229557712 MJOXEARKQDTSGG-DFEHZGFQSA-N 368.433 2.820 0 50 FFAA COCCn1cc(NC(=O)N2CCC[C@@H](CN3CCC(C)CC3)C2)cn1 331760022 DLOOWZATOMKZNF-KRWDZBQOSA-N 363.506 2.505 0 50 FFAA O=C(Nc1nc2c(Cl)cccc2n1CC(F)(F)F)[C@@H]1COCCO1 332166636 BBYBGKPNSWRBGV-JTQLQIEISA-N 363.723 2.606 0 50 FFAA COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@@H]2C(=O)O)cc1 237370622 SBAGCOZGVRZKAK-QZTJIDSGSA-N 360.454 2.688 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237436207 YCWCHNQTQGJEBJ-PSASIEDQSA-N 356.797 2.859 0 50 FFAA C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@@H](CCO)C1 334076186 LISNIRKCSOAWJX-RYUDHWBXSA-N 373.266 2.933 0 50 FFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2CCc2cccnc2)cc1 12454775 ZRVMRAZJZXIZTE-IBGZPJMESA-N 353.466 2.804 0 50 FFAA Cn1cccc1C(=O)NC[C@@H]1CC2(CCC2)CN1c1ncncc1Cl 1875336120 SLYTZUVPFSFSNR-ZDUSSCGKSA-N 359.861 2.648 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2COc3c(C)cccc3C2)cc1 1875374012 XKZYSFKTXRAUSO-KRWDZBQOSA-N 350.418 2.877 0 50 FFAA O=C(N[C@@H]1CN(C(=O)c2ccnn2C2CCC2)[C@@H]2CCCC[C@H]12)C1CC1 1875407964 LDBMKPHHOURATL-BRWVUGGUSA-N 356.470 2.518 0 50 FFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(C2CCCCC2)CC1 2100544875 MRKCHEJCINYYSS-UHFFFAOYSA-N 372.513 2.631 0 50 FFAA CCn1c(C)[n+](CCCS(=O)(=O)O)c2cc(Cl)c(Cl)cc21 2556261 YIJRSWRDGVWRPF-UHFFFAOYSA-O 352.263 2.842 0 50 FFAA O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc([C@@H]2CCCN2)[nH]n1 2325801296 AULQQORFOJJGTJ-SMDDNHRTSA-N 354.332 2.682 0 50 FFAA CN1CCN(c2cc(F)cc(CNCc3ccc4nc[nH]c4c3)c2)CC1 2325805929 FKWTVTIRLOSUEP-UHFFFAOYSA-N 353.445 2.744 0 50 FFAA Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 2325867036 IPICETPWPHNKCT-GOSISDBHSA-N 351.450 2.669 0 50 FFAA COc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc(OC)c1OC 670524 ZDCFIZWPIKIQSM-UHFFFAOYSA-N 364.423 2.742 0 50 FFAA CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 1137063 ZBOQMILSXLQBAZ-UHFFFAOYSA-N 360.844 2.512 0 50 FFAA COc1cccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 1187109 IAUGVCMRZNJDEP-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)c(Cl)c1 4702824 RBRJBWWMUKFSAA-MJBXVCDLSA-N 356.253 2.721 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 4749306 MKTQWEILLANZID-ZIAGYGMSSA-N 350.846 2.880 0 50 FFAA Cc1cc(I)ccc1OCCNC[C@@H]1CCCO1 4841460 FEUWZIYISJEWMT-ZDUSSCGKSA-N 361.223 2.747 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccccc2F)CC1 6709637 NQNFLDKZTDETHI-MRXNPFEDSA-N 367.424 2.527 0 50 FFAA O=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 7708108 MACMFWNWIXCSLN-UHFFFAOYSA-N 356.447 2.955 0 50 FFAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(-n2cccn2)n1 225489891 RVYOOROVDFPLFX-MRXNPFEDSA-N 350.426 2.851 0 50 FFAA CC(=O)Nc1ccc(Cl)c(C(=O)NCCCc2csc(N)n2)c1 55166549 WUIKXUAGBIVODF-UHFFFAOYSA-N 352.847 2.700 0 50 FFAA COc1cc2c(cc1[C@H]1CC(=O)NCc3nc(N(C)C)sc31)CCC2 65376581 OJHNTYZXXRZEKW-CQSZACIVSA-N 357.479 2.858 0 50 FFAA CCn1ccnc1-c1c(-c2ccccc2)ncn1CCN1CCOCC1 65491786 YNLICTYARFPXQF-UHFFFAOYSA-N 351.454 2.766 0 50 FFAA O=C1C[C@@H](c2cnc(-c3ccco3)nc2)c2cnn(Cc3cccnc3)c2N1 65456170 ZMMNZCCHDJEXGR-HNNXBMFYSA-N 372.388 2.851 0 50 FFAA O=C(c1ccc2nonc2c1)N1CCCN(Cc2ccc(F)cc2)CC1 77287131 JSUJVPWSTBKOPG-UHFFFAOYSA-N 354.385 2.710 0 50 FFAA Cc1c(Cc2nc([C@H](NC(=O)c3ccccc3)C3CC3)no2)cnn1C 350550064 SJBAFJVPCWKLSK-QGZVFWFLSA-N 351.410 2.583 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccnc2-n2ccnc2)C12CCC2 118948791 PGXATSSZAVAATF-DLBZAZTESA-N 369.469 2.756 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 67723862 GLSZBDYVMJWWQV-ZDUSSCGKSA-N 370.359 2.926 0 50 FFAA O=C(OCc1cc2ccccc2[nH]c1=O)c1csc(-c2cnccn2)n1 172182774 NUOWDUSWBXXBGI-UHFFFAOYSA-N 364.386 2.799 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@@H]1CCC(=O)N1 67975364 KFEFVLMQVDYUOX-INIZCTEOSA-N 353.422 2.776 0 50 FFAA Cc1cc(C(F)(F)F)nc(-n2cc(C(=O)c3ccc(F)cc3)nn2)n1 1384616 FIOKXQIQSZRDEJ-UHFFFAOYSA-N 351.263 2.755 0 50 FFAA CCCn1nccc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72146133 OWEMPIQKKKKPTL-IBGZPJMESA-N 352.482 2.608 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@@H](O)C2)c1 219213364 CQTIEVGSOGUYAB-QOKNQOGYSA-N 351.406 2.814 0 50 FFAA CCn1ccnc(N2CCC(NCc3cccc4cc[nH]c34)CC2)c1=O 328652701 WQCDKEOYTFRMFF-UHFFFAOYSA-N 351.454 2.503 0 50 FFAA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c(=O)c1 328608576 ZTRDUBFYEKLCCN-INIZCTEOSA-N 374.510 2.556 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3cccc(N4CCC4=O)c3)CC2)n1 363936176 JKQNSUDVMAADIO-UHFFFAOYSA-N 355.398 2.526 0 50 FFAA c1ccc2[nH]c(C[C@@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc2c1 72164946 HLGNKQIUQCYZHF-INIZCTEOSA-N 364.497 2.707 0 50 FFAA Cc1ccccc1Nc1nc(CN2CCOC[C@@H]2c2ncnn2C)cs1 367452806 WHDCERBEXLWDBK-MRXNPFEDSA-N 370.482 2.897 0 50 FFAA CN(CC(=O)N1CCC[C@H](COc2cccc(F)c2)C1)Cc1cccnc1 77488743 NJAQLXSTTNSQQU-SFHVURJKSA-N 371.456 2.970 0 50 FFAA CC(C)(O)CN1CCc2c(cccc2NCc2cnc3[nH]ccnc2-3)C1 368217253 XBTGEPPIKSEGGV-UHFFFAOYSA-N 351.454 2.651 0 50 FFAA C[C@@H](C(=O)N1CCCCC1)N1CCCN(C(=O)CCc2ccccc2)CC1 156658146 PBUJLYXLGTZSFU-IBGZPJMESA-N 371.525 2.555 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 36385697 ZZCUMIMCWPHVQD-OAQYLSRUSA-N 368.477 2.542 0 50 FFAA CC1(C)CN(S(=O)(=O)c2cccc3cnccc23)C[C@H](C(F)(F)F)O1 332189040 CCWDKQCBMHJWLB-CQSZACIVSA-N 374.384 2.965 0 50 FFAA Cc1nc(C2(NC(=O)c3cc(C)c(OCC(=O)O)c(C)c3)CCCC2)no1 262220230 QXXQQTAHLYJGAD-UHFFFAOYSA-N 373.409 2.658 0 50 FFAA CC(C)(C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 236692922 AXLZYHYFKQVQKQ-CYBMUJFWSA-N 359.344 2.685 0 50 FFAA C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N3CCOCC3)cc2)C1 72436895 IXLNUXRIJFNZCU-QZTJIDSGSA-N 359.514 2.621 0 50 FFAA O=C(c1cc(-c2ccccc2)ns1)N1CC2(CCNCC2)[C@@H]2COC[C@@H]21 333280715 MLILBLXFWPLZLA-WBVHZDCISA-N 369.490 2.651 0 50 FFAA Cc1ccc2nc(CCC(=O)N3CCO[C@H](C(F)(F)F)C3)[nH]c2c1C 71755487 SIHGBCDNTDSFJJ-ZDUSSCGKSA-N 355.360 2.902 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@](O)(CN2CCCC2)C1 77539793 OHYCBBQSIQLKCR-QFIPXVFZSA-N 369.509 2.940 0 50 FFAA O=C1CCCc2occ(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)c21 72150865 JPYYPNNCZUKIMD-UHFFFAOYSA-N 364.401 2.925 0 50 FFAA COC[C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccco1 175353421 OBDIRMNSDMZSCA-JTQLQIEISA-N 365.329 2.844 0 50 FFAA O=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccc(COC2CCCC2)cc1 130788973 PIMJHUCUFNIKBX-KRWDZBQOSA-N 366.483 2.845 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3F)C2)CN1CCCO 82120823 OUXCLLLCKNKHSJ-IBGZPJMESA-N 370.415 2.691 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 89925361 AXZDKVCTONMGHQ-LJQANCHMSA-N 351.454 2.551 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)c1ncoc1C1CC1)[C@H]1C[C@H](O)C1 220013331 KOHZWXRTIXENAH-GHJWDPDVSA-N 360.385 2.942 0 50 FFAA CCc1nccn1CCNC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 222271852 XBXACFBCRHYHQP-LJQANCHMSA-N 358.461 2.928 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 223909131 AYDUABLYKBVPAM-UXHICEINSA-N 354.450 2.857 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCC(Oc2ccccc2C)CC1 82115406 RGXWFDPHPNTOSP-KRWDZBQOSA-N 360.454 2.986 0 50 FFAA CC(C)c1noc([C@@H](C)NC(=O)N2CCC(CCn3cccn3)CC2)n1 426533632 AFFORUCAANETGZ-CQSZACIVSA-N 360.462 2.962 0 50 FFAA CCN1CCC(CCNC(=O)N(CC)C[C@H](O)c2cccc(O)c2)CC1 426441890 MKKHCZDQAHOWHY-IBGZPJMESA-N 363.502 2.579 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(F)c(NC(C)=O)c1 426383028 FJEVWESWIGNTHR-INIZCTEOSA-N 364.421 2.649 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@@H](C(=O)O)c2ccc(F)cc2F)CC1 95499352 KDMLEEBYDYMZGI-QGZVFWFLSA-N 354.397 2.717 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)C2CCCC2)CC1 91616715 VNJYETSTJIJUQQ-UHFFFAOYSA-N 370.501 2.747 0 50 FFAA Cc1c[nH]c(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)c(C)c1=O 95360186 JZAILTCKBQPIFN-SFHVURJKSA-N 365.477 2.630 0 50 FFAA O=C(O)C[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(F)cc1F 95526710 GWDZLIXYNQKJEZ-MRXNPFEDSA-N 361.344 2.944 0 50 FFAA O=C(CN1CCC[C@@H](c2ccccc2)C1)NCc1nnc2n1CCCCC2 95368484 JWYRULOIUNBBNR-GOSISDBHSA-N 367.497 2.500 0 50 FFAA Cc1nc(CCNC(=O)N(C)Cc2cc(C(C)C)on2)nc2c1CCC2 426633853 IFWDCHXNFXUCKC-UHFFFAOYSA-N 357.458 2.769 0 50 FFAA Cc1nc(CN(C)C2CCN(c3nnc(-c4ccccc4)s3)CC2)no1 96179732 PBXCQFIVVGORQB-UHFFFAOYSA-N 370.482 2.997 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nc3cc(OC)ccc3o1)CO2 91664470 XZBVGZBFHVGHMH-CYBMUJFWSA-N 368.389 2.713 0 50 FFAA O=C(Cn1c(=O)ccc2ccccc21)N1CCCC[C@@H]1CCn1cccn1 95529657 UFXCATSOSZGRNV-GOSISDBHSA-N 364.449 2.669 0 50 FFAA Cc1nsc(N2CCN(C(=O)Nc3cccc(N(C)C)c3C)CC2)n1 180115925 ZQXIBHOSVFRNDZ-UHFFFAOYSA-N 360.487 2.575 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)C1(c2ccc(Cl)cc2)CC1 95527260 AHMSHAAEJDDXCD-AWEZNQCLSA-N 374.872 2.783 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1C 91434961 RQUJWVHAZSHCTC-SFHVURJKSA-N 366.465 2.973 0 50 FFAA CC(C)Cn1cncc1CN1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91643470 SQWDNIWXXOKKCQ-DLBZAZTESA-N 371.437 2.568 0 50 FFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C[C@H]1CCC(=O)NC1 333743794 YKGLSYMINUUYAV-XJKCOSOUSA-N 350.846 2.545 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N(C)Cc1ccc2nonc2c1 97360141 HTMJKEOIYLUVOX-UHFFFAOYSA-N 360.377 2.655 0 50 FFAA CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)[nH]1 91574685 XYONFVVNJPDZKK-SJLPKXTDSA-N 367.497 2.884 0 50 FFAA O[C@@H](COc1cccc(CN2CCCOCC2)c1)CN1CCCCCC1 95497358 VBMZMIRKSYZZHV-HXUWFJFHSA-N 362.514 2.525 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3)C2)no1 96164618 LYZRGEBEHZLMCJ-CQSZACIVSA-N 352.398 2.975 0 50 FFAA CC1(C)CN(Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)CCO1 95497319 QIJUPZOZJJFOSR-IBGZPJMESA-N 362.514 2.523 0 50 FFAA Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2cnc3ccsc3c2)o1 267640293 QUJUVCDWERILCM-AWEZNQCLSA-N 364.448 2.960 0 50 FFAA CC(C)n1ccnc1C1CCN(CC(=O)Nc2cccc(C(=O)O)c2)CC1 243956956 CEUNIWRHEVJTNJ-UHFFFAOYSA-N 370.453 2.980 0 50 FFAA COc1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)cc1OC 252489345 JOPOPIYQSYHUEV-UHFFFAOYSA-N 361.345 2.547 0 50 FFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)c1 184647807 RDKFWCUQTMELPQ-LBPRGKRZSA-N 351.428 2.528 0 50 FFAA O=C1C[C@H](C(=O)NCCc2nc3c(s2)CCCC3)C2(CCCCC2)O1 534659731 HDSOTHREVBXAAS-CYBMUJFWSA-N 362.495 2.947 0 50 FFAA CCOc1ccc(CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC 103006988 CEMDJRXKJDUJQM-ILRDRHFLSA-N 355.434 2.834 0 50 FFAA CCN(C)C(=O)[C@H]1CC[C@H]2OCCN(C(=O)c3ccc(F)c(C)c3)[C@@H]2C1 1940194765 NFMNKMICAWOKKL-CGTJXYLNSA-N 362.445 2.622 0 50 FFAA O=C(C1CCC1)N1CCn2nc(CNc3ncnc4ccsc34)cc2C1 299792938 GFWQLFJNSARVGI-UHFFFAOYSA-N 368.466 2.642 0 50 FFAA O=C(c1cccnc1)[C@@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299773311 DIBWOWYLEFJKIB-GOSISDBHSA-N 351.450 2.659 0 50 FFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCc1nc(C2CCCCC2)no1 65466022 RWEOTCUPBHCMOI-OAHLLOKOSA-N 354.410 2.608 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 299782358 FPEIOGWRCPCTOP-OAHLLOKOSA-N 357.479 2.788 0 50 FFAA Cc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc1C 299772577 CBXNUNCVPFCLEH-UHFFFAOYSA-N 352.482 2.932 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H]1CCCN(Cc2cccs2)C1 828013016 JSYPLLFFYBJVJF-INIZCTEOSA-N 363.527 2.621 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)NCCc1nc2c(s1)CCC2 584895902 WGXSXSBURQTOCQ-UHFFFAOYSA-N 357.439 2.552 0 50 FFAA C[C@@H]1CCCCN1CCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 670451112 PRUQJKRVHMSVHZ-QGZVFWFLSA-N 362.493 2.527 0 50 FFAA Cc1c(NC(=O)c2cc(-c3ccncc3)[nH]n2)cccc1-c1nncn1C 952981472 WUGUDTVUVCTPBX-UHFFFAOYSA-N 359.393 2.828 0 50 FFAA COCc1nc2n(n1)C[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2 268194457 NNBRECLHVLHYKE-CQSZACIVSA-N 372.444 2.507 0 50 FFAA C[C@@H]1CN(Cc2csc(NC(=O)N3CCC=C(F)C3)n2)C[C@@H](C)O1 274116766 ZPIWACDNAXJFCZ-VXGBXAGGSA-N 354.451 2.843 0 50 FFAA NC[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 170048155 VQRNOPSNMNMVTC-SNVBAGLBSA-N 354.332 2.566 0 50 FFAA O=C(CNc1ccccc1Cl)NC[C@H](Oc1ccc(F)cc1)C(=O)O 170592157 FJZGNTYRIMPKCN-HNNXBMFYSA-N 366.776 2.539 0 50 FFAA CC[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C)C1=O 170595570 BEAMVLJNSDTZDS-HXUWFJFHSA-N 357.454 2.534 0 50 FFAA Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)N1CCC[C@H](C)C1 170640739 QTMWGFWZTQCIBG-ZDUSSCGKSA-N 362.455 2.966 0 50 FFAA CCC1(NS(=O)(=O)c2ccc(OC3CCOCC3)c(F)c2)CCC1 187297911 TUPZFKZLCGMZPI-UHFFFAOYSA-N 357.447 2.995 0 50 FFAA COCCc1noc([C@@H]2CCCN(C3CCN(Cc4ccco4)CC3)C2)n1 1506424571 AUMXWPWFCQUZGF-MRXNPFEDSA-N 374.485 2.696 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1Cl 1506424199 AQFVXCVVIXYOTK-NEPJUHHUSA-N 368.282 2.926 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529169034 RATSVRCAAJQDHG-GEEKYZPCSA-N 369.465 2.579 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc(CN4CCCC4)cs3)C[C@@H]2O)on1 1529138911 KFHWIODGFMLTSL-APWZRJJASA-N 361.511 2.676 0 50 FFAA COCC1(N(C)C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772806796 FJWVZVVXWRZPBZ-CQSZACIVSA-N 357.479 2.947 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1C 1772705845 AVABIPSPVDTJHF-FUHWJXTLSA-N 358.482 2.938 0 50 FFAA O=C(NC[C@H]1CCC2(CCN(Cc3ccc(O)cc3)CC2)O1)c1ccco1 12026395 OTSUHEFQXPCICQ-GOSISDBHSA-N 370.449 2.929 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2=CCCC2)CC1 12090583 CIQFSWHJXGRXII-LJQANCHMSA-N 361.530 2.716 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)Nc3cccc(C)c3C)C2)C1=O 14964734 CDKQCZHOSLFLMA-HXUWFJFHSA-N 359.470 2.796 0 50 FFAA CC(C)(C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 15072089 MQNLUNVILKPEIA-UHFFFAOYSA-N 372.557 2.920 0 50 FFAA COc1ccc(OCC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 19556788 GCYZTNMMGDWRNY-UHFFFAOYSA-N 358.413 2.558 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1OC 19559860 QBAQQGPBXUZVCD-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n[nH]1 19838728 KWWOQSOAUDNKIW-LBPRGKRZSA-N 353.348 2.531 0 50 FFAA CCCOc1c(OC)cc(Cl)cc1-c1nccn1[C@H]1CCNC[C@@H]1O 1857730957 FELMGVJXNFUDQZ-GJZGRUSLSA-N 365.861 2.896 0 50 FFAA CC(C)[C@H]1CN(S(=O)(=O)C2CCOCC2)C[C@@H](c2ccccc2)O1 1875248907 XIPSSDLUUMJOAO-MSOLQXFVSA-N 353.484 2.593 0 50 FFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 328864688 NBCNBOHUSRSVNS-GHMZBOCLSA-N 367.375 2.663 0 50 FFAA Cc1ccc(Br)c(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c1 332233191 PUUPQYRJHGNJQI-LBPRGKRZSA-N 374.300 2.797 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(Br)cc1 238142817 OFVZEKGKGQKNJG-DGCLKSJQSA-N 356.216 2.508 0 50 FFAA CC[C@H]1CCCCN1C(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421589 ULNGEXXPCQRJGH-AWEZNQCLSA-N 352.438 2.899 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1nc(C2CC2)no1 778012365 GNTVVCPEDUPUSV-MRVPVSSYSA-N 371.363 2.743 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(CN2CCCC2=O)cc1 265534070 BREKUPJPNOEFLC-KURKYZTESA-N 370.449 2.667 0 50 FFAA Cc1cnc(N2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)nc1C(C)C 1875267200 HJBAIEALCWAPLT-UHFFFAOYSA-N 368.437 2.569 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cccc(C(F)(F)F)n1 1875314720 OCUNLVGISIRZEJ-ZJUUUORDSA-N 368.359 2.786 0 50 FFAA C=CC(=O)NC[C@H]1CN(C(=O)CCOc2cc(C)ccc2C)CC[C@H]1C 1875386141 JXSJJNAQBLURLL-AEFFLSMTSA-N 358.482 2.859 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1nc(-c2ccccc2F)no1 886091283 BERMEWWTCDWIAI-DOTOQJQBSA-N 357.389 2.537 0 50 FFAA COc1ccc([C@H](C)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(F)c1 888098956 NYPLACAPVVOCEF-OONLHXPKSA-N 350.478 2.965 0 50 FFAA CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)CO1 4125242 KRAQBUMHVGFVKU-UHFFFAOYSA-N 352.419 2.946 0 50 FFAA O[C@H](CN1CCC(c2nnc3cnccn23)CC1)c1ccc(Cl)cc1 2325717019 WDZMLYGSHLXDJI-MRXNPFEDSA-N 357.845 2.691 0 50 FFAA COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCCCc2cncs2)cc1 2325755798 PNONFMINRHZADF-RNVIBTMRSA-N 374.462 2.846 0 50 FFAA Cc1nc(-c2cccnc2)[nH]c1C(=O)N1CCCN[C@H](c2ccccc2)C1 2325783296 LXIXFBWYSFMIIQ-SFHVURJKSA-N 361.449 2.957 0 50 FFAA Cc1nc2c(cc1NC(=O)c1ccc(CN)nc1C1CC1)c(C)nn2C 2325788931 UIVXMJPPVACCKD-UHFFFAOYSA-N 350.426 2.569 0 50 FFAA CC(C)(C)c1ccc([C@H](CO)NC(=O)[C@H](N)Cc2ccc(O)c(F)c2)cc1 2325791133 XXPDDARXEUTQPK-MSOLQXFVSA-N 374.456 2.548 0 50 FFAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H](CC(=O)O)c1nccs1 2325875875 DMOWENARBIPRJR-ZDUSSCGKSA-N 374.397 2.629 0 50 FFAA O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCCC1 797059 NZTORNWHYCSJGC-UHFFFAOYSA-N 370.902 2.753 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl 1108839 PATRHPXTRPXOSE-UHFFFAOYSA-N 368.842 2.622 0 50 FFAA C[C@H](C(=O)Nc1nc2c(s1)CCCC2)N1C(=O)c2ccccc2C1=O 1791461 FEGJPBYSFIEENW-SNVBAGLBSA-N 355.419 2.645 0 50 FFAA N=c1[nH]c2cccc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)c2s1 2356153914 ZYERYFGIDDIUHD-SFHVURJKSA-N 353.451 2.552 0 50 FFAA COCCN(Cc1ccc(Sc2ncccn2)o1)C1CCN(C)CC1 55387299 GRGQNRUGKOCEOT-UHFFFAOYSA-N 362.499 2.763 0 50 FFAA CCn1cc(CN2CCCN(C(=O)c3ccc4ccccc4n3)CC2)cn1 109662125 SPGODKSUCZKANB-UHFFFAOYSA-N 363.465 2.799 0 50 FFAA O=C(O)c1cn(C[C@H](O)Cc2ccccc2)cc(Oc2ccccc2)c1=O 55245284 QEVAOQZNLXGNBO-MRXNPFEDSA-N 365.385 2.942 0 50 FFAA CCc1cn[nH]c1C1CCN(c2nnnn2[C@@H](C)c2ccccc2)CC1 67852408 NVMJTVQTEAOHMT-AWEZNQCLSA-N 351.458 2.952 0 50 FFAA CSc1ccc(CN2CCC(=O)N(CCN3CCCCC3)CC2)cc1 55167929 NYASVGDRJSJHDR-UHFFFAOYSA-N 361.555 2.929 0 50 FFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@H]1c1cc(C)c(OC)cc1C 67674356 GUGHCNBURSOMJM-HXUWFJFHSA-N 366.469 2.794 0 50 FFAA CN(Cc1cnccn1)C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 23379633 ANSUXHDMODYDJO-UHFFFAOYSA-N 365.481 2.704 0 50 FFAA O=C(CCC1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1)NC1CC1 12089803 BSDOTLIOOMRPCU-SFHVURJKSA-N 354.450 2.654 0 50 FFAA Cc1cccc(CN2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)n1 67691346 YRFWTNOOHNRIMF-KRWDZBQOSA-N 363.465 2.654 0 50 FFAA CN(C)c1ccc2cc(NC(=O)[C@H]3CC(c4ccncc4)=NO3)ccc2n1 252498939 RRKSDRPCGXJTAE-GOSISDBHSA-N 361.405 2.828 0 50 FFAA C[C@@H](CO)CCNC(=O)c1cc(COc2ccc(F)cc2Cl)on1 67514020 COPQCEDUESIORZ-SNVBAGLBSA-N 356.781 2.794 0 50 FFAA COCCOc1cc(NC(=O)CSCC(=O)O)c(Cl)cc1Cl 2571582 WDKRFQJFCOSDID-UHFFFAOYSA-N 368.238 2.775 0 50 FFAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)CCn2nnc3ccccc32)C1 77440659 KLRLGZSCNWKZHX-QGZVFWFLSA-N 362.433 2.943 0 50 FFAA COc1ccc(CN2CCC[C@@H](N(C)Cc3nccc(N)n3)CC2)cc1F 328630343 JHBMVXHDJQTCSE-MRXNPFEDSA-N 373.476 2.693 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2cc(COC)nc(C(C)(C)C)n2)cn1 328618765 FBOWXEZKSABMHN-FUHWJXTLSA-N 373.501 3.469 0 50 FFAA CN1C(=O)c2ccc(NC(=O)CN[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cc2C1=O 253418250 MWTSNBCNCNCQJO-YDZGXFTCSA-N 369.465 2.655 0 50 FFAA CCN(C)CC(=O)N1CCC2(CC1)CN(C[C@@H](C)c1ccccc1)C(=O)O2 77354351 RCJGOHDSJMLNCS-QGZVFWFLSA-N 373.497 2.555 0 50 FFAA Cn1nc(C(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cc1-c1ccccc1 215279032 OECAUGQXRJYTJM-SFHVURJKSA-N 366.465 2.704 0 50 FFAA CCn1cc(S(=O)(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)cn1 329235503 IPRNTKGYGWSVCD-ZDUSSCGKSA-N 358.467 2.529 0 50 FFAA CCOc1cc(/C=C/C(=O)N2C[C@@H](C)N[C@H](C)C2)cc(Cl)c1OC 153752602 WOLFCCLISCEMKK-AMRKSYTLSA-N 352.862 2.969 0 50 FFAA CCN1CCCN(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 363882030 LIVHLBVBEJRNEA-UHFFFAOYSA-N 358.486 2.694 0 50 FFAA COc1cccc(CN2CCN(c3nc4ccccc4o3)C[C@@H]2CCO)c1 72477712 KOJYEJKSWQLVJO-KRWDZBQOSA-N 367.449 2.910 0 50 FFAA c1cn(Cc2noc([C@H]3CCCO3)n2)c(-c2ccc3c(c2)OCCO3)n1 77451888 WQZKLMIINIAPPQ-CQSZACIVSA-N 354.366 2.604 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)CC2=O)cc1 72126394 HPHORJDLNABXBO-HNNXBMFYSA-N 358.482 2.637 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 237640606 NOHAQMGOMLDNSG-KRWDZBQOSA-N 358.394 2.950 0 50 FFAA Cc1nc2ccccc2c(C)c1CC(=O)N(CCC(=O)O)C1CCOCC1 237751281 UBEWEDGPIRUIJN-UHFFFAOYSA-N 370.449 2.876 0 50 FFAA Cc1nc(CN2CCC[C@@H](NC(=O)c3oc4ccccc4c3C)C2)no1 377672215 LSOOTJBWUMSGDR-CQSZACIVSA-N 354.410 2.827 0 50 FFAA Cc1ccc(CN(C(=O)c2cc(C)c3c(=O)[nH]c(O)nc3n2)C(C)C)s1 174267222 HDEWIUNICBBFKJ-UHFFFAOYSA-N 372.450 2.753 0 50 FFAA CC(C)[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nccn1C 72433236 UXPQIDADUGUWIG-OAHLLOKOSA-N 362.441 2.968 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)c1cccc(F)c1F 284803612 AQUNXFFTAYUHDV-SJMGXHDFSA-N 368.424 2.987 0 50 FFAA Cc1ccnn1CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82145702 OGSHZPVLDZTNCR-LJQANCHMSA-N 363.465 2.843 0 50 FFAA CC(C)c1nnsc1CN1C(=O)C2(CCNCC2)Nc2ccccc21 82145750 OJSGKUFGDYVQIW-UHFFFAOYSA-N 357.483 2.742 0 50 FFAA CCC[C@]1(CO)CCN(c2nn3c(C(F)(F)F)nnc3c(C)c2C)C1 288822763 HPPWEXQTHZTLST-HNNXBMFYSA-N 357.380 2.749 0 50 FFAA COc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1 82098293 GYIRRNADQBRZLZ-INIZCTEOSA-N 364.453 2.696 0 50 FFAA COc1ccc(CCN(C)c2cc(C3CC(O)C3)nc(C)n2)cc1OC 220399437 ZIPZKKWPJVTGGM-UHFFFAOYSA-N 357.454 2.719 0 50 FFAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCN1CCOCC1 20312039 AUVWVXUGTCWBQH-QGZVFWFLSA-N 354.450 2.569 0 50 FFAA C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CCC1(F)F 290354765 JFIKVQBOPLMBCE-CYBMUJFWSA-N 367.396 2.668 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(OC)c1 223517389 JATIZMVCXYWOTL-MSOLQXFVSA-N 363.454 2.503 0 50 FFAA Cc1ccc(OC2CN(C(=O)NC[C@@H]3CCCN(C(=O)C(C)C)C3)C2)cc1 426488194 JTKNZCOZLGRPSF-KRWDZBQOSA-N 373.497 2.662 0 50 FFAA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](n2cc(CO)nn2)C1 293857179 DDESHTOWWBEVHP-HNNXBMFYSA-N 360.483 2.578 0 50 FFAA O=C(NCCCN1CCC[C@@H](CO)C1)N(Cc1ccsc1)C1CC1 426398269 YYVNFNOQPNPWQJ-OAHLLOKOSA-N 351.516 2.517 0 50 FFAA O=C(CN(Cc1cccnc1)C1CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 180728230 ZNSXVGQGJYXVNR-HXUWFJFHSA-N 369.440 2.785 0 50 FFAA CC[C@@H](NC(=O)c1ccc(COC)o1)c1ccc(S(C)(=O)=O)cc1 96165755 QHPRLABYKNQGNI-OAHLLOKOSA-N 351.424 2.711 0 50 FFAA O=C(NCCc1cccc(C(F)(F)F)c1)c1cnc(C2CC2)[nH]c1=O 91625367 XPZGQHORYIXWLO-UHFFFAOYSA-N 351.328 2.639 0 50 FFAA COCC1(NC(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)CCCC1 96164764 NMXNUTSKUKTVII-UHFFFAOYSA-N 362.474 2.576 0 50 FFAA O=C(c1ncc[nH]1)N1CCC(Cn2cc(-c3cccc(Cl)c3)nn2)CC1 23337250 BFTBJRYTUAMNKR-UHFFFAOYSA-N 370.844 2.874 0 50 FFAA N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91321671 QHIYIDAEHPEITQ-NRFANRHFSA-N 374.488 2.888 0 50 FFAA CN(C(=O)Nc1ccc(SCCc2ccccn2)cc1)[C@H]1COC[C@@H]1O 96149935 HDSOXBBYBLMFPL-ROUUACIJSA-N 373.478 2.640 0 50 FFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H](O)c1ccc(F)cc1 244899598 ZMPHCCSLGZWPSO-FQEVSTJZSA-N 356.441 2.855 0 50 FFAA CCn1nc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)nc1N(C)C 534645349 JSXAVVXZRBZFTM-UHFFFAOYSA-N 363.412 2.902 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)NCc1noc(C2CCCC2)n1 534588406 ZJNYFPGQWLKVNI-INIZCTEOSA-N 358.442 2.992 0 50 FFAA O=C(Cc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1)NC1CC1 827848684 KKPDQQHLCJHCGY-KRWDZBQOSA-N 370.449 2.712 0 50 FFAA CN1C(=O)C[C@@H](C(=O)NCc2noc(-c3cccs3)n2)c2ccccc21 823748710 YYSJBFWJWICCKS-GFCCVEGCSA-N 368.418 2.565 0 50 FFAA COc1ccc(CC(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)c(OC)c1 952974331 BLNWYXLTHKXFNG-NSHDSACASA-N 355.394 2.815 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(-c2ccc(C)o2)[nH]n1 1565507951 DWOZBRHGWWAKTE-KSSFIOAISA-N 359.426 2.848 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)NC2CCN(c3cccnn3)CC2)c1 277071683 KZBDFCBBAUIRHO-UHFFFAOYSA-N 365.481 2.784 0 50 FFAA CC[C@@H]1C(=O)N([C@@H]2CCOc3c(Br)cccc32)C(=O)N1C 408517024 QOFUHZBQYDSNOG-VXGBXAGGSA-N 353.216 2.945 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 189199222 UWXDJIRRXDMYND-SWLSCSKDSA-N 369.512 2.588 0 50 FFAA Cc1ccccc1-c1nc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cs1 192310958 QIENWANTORPROS-CYBMUJFWSA-N 364.492 2.768 0 50 FFAA O=C(O)C1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 192416180 DJLDEBSGESKAFD-UHFFFAOYSA-N 352.390 2.620 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3coc(-c4ccccc4)n3)C[C@@H]12 1529172301 CYQSGDFNAOEVRL-XLIONFOSSA-N 355.438 2.713 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nn1C 1704298165 GFMLHPXMDGLYIO-UHFFFAOYSA-N 364.449 2.914 0 50 FFAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 5077399 HGCKUGSVCARJJT-CHWSQXEVSA-N 358.891 2.750 0 50 FFAA CCCC(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12191184 QSMIPWOOOXFEDK-INIZCTEOSA-N 373.474 2.977 0 50 FFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cnsn1 12439613 YPODPTQGVUMUAS-CQSZACIVSA-N 362.474 2.704 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2cc(C(C)C)on2)CCC1=O 12452256 ULSNCZAQBGQQQK-UHFFFAOYSA-N 355.438 2.981 0 50 FFAA O=C(NCC(F)(F)F)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12588460 UGWGDTJOMSDJGE-LBPRGKRZSA-N 362.779 2.800 0 50 FFAA O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNC1Cc2ccccc2C1 12591907 DSJSMAZTKIZMSY-JOCHJYFZSA-N 356.510 2.677 0 50 FFAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1ccc3[nH]ccc3c1)CC2 14537351 OJARGRGDHAQCLI-UHFFFAOYSA-N 366.421 2.760 0 50 FFAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCC[C@H]1c1ccccn1 15063960 HSPZQALWIAENIB-SFHVURJKSA-N 351.385 2.838 0 50 FFAA CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 16648643 FUKJPPWKXOCJJY-CQSZACIVSA-N 358.891 2.800 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)c4cccc(Cl)c4)nnc3c2)n1 169776134 CYNCMNCJCHTVAK-UHFFFAOYSA-N 368.784 2.671 0 50 FFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc(F)cc1 1857675039 IPPHIZPMTIXWKT-NNMXDRDESA-N 366.436 2.846 0 50 FFAA C[C@]1(C(=O)N2CCN(c3nsc4ccccc34)CC2)CC12CCNCC2 1857684731 AVTNFFSOVQMXGN-LJQANCHMSA-N 370.522 2.725 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(c3nc4ccccc4o3)CC2)CCC1=O 1857693500 ZMZRQJSOYCTZBY-MRXNPFEDSA-N 356.470 2.597 0 50 FFAA O=C(NCc1cccc(F)c1)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857712509 CBRCTPOYWUEMQF-HSALFYBXSA-N 369.440 2.839 0 50 FFAA O=C(NC1CC1)c1cn([C@H]2CC[C@@H](NCc3ccc(F)cc3)CC2)nn1 247751088 UQCKDLWMMPJEOI-WOVMCDHWSA-N 357.433 2.583 0 50 FFAA CC(C)N1CCO[C@H](c2nc(-c3ccc(N4CCCCC4)nc3)no2)C1 253430135 JSODHIPRJPQTJV-INIZCTEOSA-N 357.458 2.904 0 50 FFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cccn(C)c4=O)C3)nc2c1 264241331 ORPFUHMSUJHPLV-AWEZNQCLSA-N 350.422 2.590 0 50 FFAA CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCc2occc2C1 952847493 ARMJLSPUAQNRJY-UHFFFAOYSA-N 368.842 2.893 0 50 FFAA Cc1ccccc1CCN(Cc1ncc[nH]1)C(=O)C(C)(C)Cc1cnn[nH]1 1875294286 QEQQKWOSNHTBTQ-UHFFFAOYSA-N 366.469 2.676 0 50 FFAA CN(Cc1ccccc1-n1cccc1)C(=O)Cn1cnc2ccccc2c1=O 1875308279 XSKFFNSOPXMUMG-UHFFFAOYSA-N 372.428 2.846 0 50 FFAA C=CC(=O)NCCC(=O)N1Cc2c(ccc(F)c2Br)C[C@@H]1C 1875367548 MXGXDBPLXJDQEH-JTQLQIEISA-N 369.234 2.554 0 50 FFAA COC1(Cc2nc(-c3cc(Br)c(C)n(C)c3=O)no2)CCC1 897000098 UNYZKCHHOALHSK-UHFFFAOYSA-N 368.231 2.618 0 50 FFAA CN(Cc1nccn1C1CC1)S(=O)(=O)c1c[nH]c2ncc(Cl)cc12 2325782779 FPEORAAMCVHIRU-UHFFFAOYSA-N 365.846 2.568 0 50 FFAA CC[C@@H](CNC(=O)CC1CC2(CC2)C1)NC(=O)Cc1cc(C2CC2)on1 2325867530 ZDMKYGZFIIGNCN-HNNXBMFYSA-N 359.470 2.686 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCc4nncn4CC3)cc2)c1C 880076776 IPUXLXUWCFOKEC-OAHLLOKOSA-N 350.426 2.672 0 50 FFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)s1 1007305 GKBTVFLKVDREEJ-CQSZACIVSA-N 352.209 2.923 0 50 FFAA Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 1324977 NCACXEFAIWPMGI-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1c(Br)c(C(=O)O)c(Br)c(OC)c1OC 1676019 KFEXAABXBSOKEH-UHFFFAOYSA-N 369.993 2.936 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)C1=O 2356148615 IODZXAJYKJWERN-HXUWFJFHSA-N 354.454 2.879 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2ccncc2)c(OCC)cc1C 4937518 KFMNNBSYCPZUQO-UHFFFAOYSA-N 350.440 2.666 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 10302270 SXQSYQICXBFKOI-JTQLQIEISA-N 365.282 2.994 0 50 FFAA O=C(NCC1(c2c(F)cccc2F)CCC1)N1CCc2nnc(O)cc2C1 413687377 MDROYYFFTKWDFB-UHFFFAOYSA-N 374.391 2.650 0 50 FFAA CCCC(=O)Nc1ccc(CC(=O)NCc2ccc3nonc3c2)cc1 55242217 ULZOJXCOKIZTID-UHFFFAOYSA-N 352.394 2.820 0 50 FFAA Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 24001877 RQXUGVPZXXDGRB-UHFFFAOYSA-N 352.434 2.990 0 50 FFAA O=C(NCCc1ccccn1)C1(Oc2ccc(Cl)cc2)CCNCC1 65396922 HNUGSTIGDHKIAG-UHFFFAOYSA-N 359.857 2.595 0 50 FFAA Cc1nc2ccc(NC(=O)CC3(Cn4cnnn4)CCCCC3)cc2[nH]1 409413745 LHSWUAGTBGUELA-UHFFFAOYSA-N 353.430 2.837 0 50 FFAA C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 469322028 HRNNRAQLQPHLJV-CYBMUJFWSA-N 354.431 2.836 0 50 FFAA C[C@@H](c1nc(Cc2ccccc2F)no1)N1C(=O)NC2(CCCC2)C1=O 350450477 BYDJHZYUEUXGTD-NSHDSACASA-N 358.373 2.725 0 50 FFAA COCCN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 67712859 BWFZWYIQASNSRZ-QGZVFWFLSA-N 361.486 2.632 0 50 FFAA C[C@H](NC(=O)CCn1c(S)nnc1-c1cccs1)C1CCOCC1 119626163 HWKBNEZXHICYLI-NSHDSACASA-N 366.512 2.617 0 50 FFAA CCN(CC)[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)c1ccsc1 229648871 XCQQJQUQYAPSIM-GDBMZVCRSA-N 359.561 2.697 0 50 FFAA C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(-c3ccccc3)nn2)C1=O 150845590 DYNQAJLDUWHKRH-CQSZACIVSA-N 374.400 2.896 0 50 FFAA O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528424 UGCLJZRFHLSAIK-UHFFFAOYSA-N 369.444 2.568 0 50 FFAA Cc1cc(C)c2[nH]c(=O)c(CN3CCC(Oc4ncccn4)CC3)cc2c1 215681371 JHXXRWJIOQBZDH-UHFFFAOYSA-N 364.449 2.978 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCC(OCc2ccccn2)CC1 219940544 SIAQDGNPTQWDMM-FQEVSTJZSA-N 352.434 2.983 0 50 FFAA CCn1nc(C)c(NC(=O)[C@H](C)n2cc(Br)c(C)n2)c1C 2779592 BVFBXXHNWIHUCK-NSHDSACASA-N 354.252 2.987 0 50 FFAA C[C@H](C(=O)N1CCN[C@@H](c2cccc(F)c2)C1)n1cnc2ccccc21 328658621 RJTACLZPXBAVTN-RDTXWAMCSA-N 352.413 2.910 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H]3CCn3ccnc3C)cc2n1 77423581 LKISKVCYKIIMRY-QGZVFWFLSA-N 366.469 2.936 0 50 FFAA CC1(C)CN(CCN2C(=O)C3(CCCC3)N=C2O)Cc2ccccc2O1 329509672 BFYSXCMRQOMBIB-UHFFFAOYSA-N 357.454 2.729 0 50 FFAA O=c1n(Cc2cc(F)ccc2F)nc([C@@H]2CCCNC2)n1-c1ccccc1 71758812 SIBNOAUNUQUBJI-CQSZACIVSA-N 370.403 2.828 0 50 FFAA Cc1cccc(N2C[C@H](C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=N)O)CC2=O)c1C 329907789 LDCYTSYMTIUVAW-RCJHGTSTSA-N 369.465 2.819 0 50 FFAA CCOc1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cn1 151620557 ARDMYXAIZAVGHA-ZIAGYGMSSA-N 356.426 2.741 0 50 FFAA O=C(NCc1cccc(CO)c1)NC[C@@H]1CCCN(Cc2ccccc2)C1 363480865 OTQDYCIJXHCHNI-NRFANRHFSA-N 367.493 2.890 0 50 FFAA CN(Cc1ccnc2ccccc12)C(=O)c1cc(C(C)(C)C)[nH]c(=O)n1 216375323 AYPHXEWRHYUWSV-UHFFFAOYSA-N 350.422 2.888 0 50 FFAA NC(=O)NCCC(=O)N1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 365710090 GULXJAUQFYBQNI-INIZCTEOSA-N 353.422 2.853 0 50 FFAA CCc1n[nH]c2c1CN(Cc1ccc(OC)c(Cn3cccn3)c1)CC2 215650937 HXRTXIAVPPBSEF-UHFFFAOYSA-N 351.454 2.784 0 50 FFAA CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2nnc(C3CCOCC3)s2)CCO1 333307730 DBCYRTHBWBOZJA-STQMWFEESA-N 368.503 3.147 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72456813 OMAFZONTTJIYKM-INIZCTEOSA-N 368.416 2.597 0 50 FFAA C(=C/c1ccco1)\CN1CCc2ncnc(NCc3ccon3)c2CC1 72480639 PQPGFDOHBXRXNH-HNQUOIGGSA-N 351.410 2.784 0 50 FFAA O=C(CCc1cccc2c1OCO2)N1CC[C@](CO)(c2ccccc2)C1 368291054 KSSUUPYDRSZTKQ-NRFANRHFSA-N 353.418 2.511 0 50 FFAA CC(C)COc1ccccc1CN(C)C(=O)[C@H]1CC2(CCNCC2)CN1C 72432648 AFYJXIPRLDMTQQ-LJQANCHMSA-N 373.541 2.754 0 50 FFAA CNc1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 72475444 YWCOALWNLXBCNW-UHFFFAOYSA-N 356.495 2.500 0 50 FFAA O=C(NC[C@@]1(O)CCCNCC1)c1sc2cccc(F)c2c1Cl 72151763 YPJQOTMQSFOQDG-MRXNPFEDSA-N 356.850 2.928 0 50 FFAA Cc1c(NC(=O)N2CCOC3(CCC3)C2)nnn1Cc1ccccc1F 283573740 VUUBOZITAZULSF-UHFFFAOYSA-N 359.405 2.561 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC(N4CCOC4=O)CC3)cc2)n1 77535583 DVDHGJVPOBTBGM-UHFFFAOYSA-N 368.437 2.546 0 50 FFAA O=C(C1CCN(Cc2cnc(-c3ccco3)nc2)CC1)N1CCCCC1 77321290 USCKQVAKVLFHKE-UHFFFAOYSA-N 354.454 2.961 0 50 FFAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 241846680 SMTXZJPHXDMYAD-PVAVHDDUSA-N 350.484 2.665 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1CC(=O)Nc2ccccc21 77440306 FOOAOXNLWPETJG-SFHVURJKSA-N 360.417 2.957 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2cc3ccccc3[nH]2)C1 285680693 HQOMNDVQXPJVQE-CJNGLKHVSA-N 351.410 2.766 0 50 FFAA O=C(CSCCN1CCCC1)NC1CCN(c2ccc(F)cc2)CC1 220033953 YXHXEGGDVGTKRW-UHFFFAOYSA-N 365.518 2.740 0 50 FFAA O=C(O)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1 263403957 IZVYDWGLAAVAEU-CEXWTWQISA-N 350.418 2.631 0 50 FFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)CCN1CCCCC1 82121389 RMUDRHAHKIOTLS-HNNXBMFYSA-N 363.889 2.780 0 50 FFAA O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1C(F)(F)F 288302824 TXSQPFOZOLFZOW-VIFPVBQESA-N 369.792 2.913 0 50 FFAA COc1ccc(CC(=O)N[C@H]2CCCCN(C(=O)C3CCC3)C2)cc1OC 82160775 FVTWKGPEKJYEIL-KRWDZBQOSA-N 374.481 2.544 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)cc2C)c1 160967084 OPEQJVCQNMNCMZ-UHFFFAOYSA-N 365.455 2.620 0 50 FFAA CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1 20412541 VONSKKTWEXGWOD-UHFFFAOYSA-N 350.802 2.721 0 50 FFAA biogenic COC1(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)CCC1 239782509 COUAXPNZRXPNON-UHFFFAOYSA-N 353.422 2.909 0 50 FFAA CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 197884402 CZMIHNXBPHHDAS-NNFUDEMPSA-N 361.825 2.826 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n1 95359323 WVNGNUDKQLFWGY-BMGDILEWSA-N 372.419 2.699 0 50 FFAA CS[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92028364 ACISIKUYJUXNSA-OAHLLOKOSA-N 361.511 2.564 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)c1 97657205 KRYHVGYVZZFVBE-UHFFFAOYSA-N 373.380 2.656 0 50 FFAA COc1ccc(-n2ccnc2CN2CCO[C@H](c3cccnc3)C2)cc1 97757959 AXMTWOZAVIJKKI-IBGZPJMESA-N 350.422 2.849 0 50 FFAA c1cnn(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc2)c1 95374626 KNHXFIDSXYVWSZ-DENIHFKCSA-N 366.509 2.948 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95391589 XXSZHJPTSHLGCJ-MRXNPFEDSA-N 364.453 2.974 0 50 FFAA O[C@@H](COc1ccccc1-c1cccc2cnccc12)CN1CCOCC1 96139263 TZEVTEIFPDNDEQ-GOSISDBHSA-N 364.445 2.974 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(-c2ccn[nH]2)cc1 96153952 RRUSWXZIYLCRIJ-CYBMUJFWSA-N 369.429 2.587 0 50 FFAA Cc1cnn(CC2CCN(C(=O)[C@@H](c3cccnc3)N3CCCC3)CC2)c1 95512660 NSHUOECWTTVUSN-HXUWFJFHSA-N 367.497 2.662 0 50 FFAA COC[C@@H](O)CN1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 180209359 ZYYMMWSMXOCOFW-RBUKOAKNSA-N 352.906 2.852 0 50 FFAA O[C@H]1CCN(Cc2ccccc2CNCC2=Cc3ccccc3OC2)C1 180993032 XKXHCHWIBQIHAO-NRFANRHFSA-N 350.462 2.819 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3cccc(-n4cnnc4)c3)cc2)CC1 534592749 RWVBCFZODVOTPJ-UHFFFAOYSA-N 361.449 2.712 0 50 FFAA O=C(NCCN1CCCc2ccccc21)c1csc(-c2ncccn2)n1 618114099 MTBUTTIHBLJADT-UHFFFAOYSA-N 365.462 2.783 0 50 FFAA COc1nc(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)n[nH]1 534640078 DEJYHDHVUBEUBW-KRWDZBQOSA-N 366.421 2.676 0 50 FFAA Cn1cccc1-c1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)[nH]n1 67641801 VWRKOEUQJIRRHF-INIZCTEOSA-N 365.437 2.632 0 50 FFAA CC(C)c1cc(CN(C)C(=O)CCn2c(CO)nc3ccccc32)no1 299762433 WIRRTOAJDANWBI-UHFFFAOYSA-N 356.426 2.689 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)Cc1cccnc1)CC3 824758606 PRLAISPPNYPPAC-UHFFFAOYSA-N 364.449 2.588 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCc2nncn2C2CCCCC2)n1 820636694 QHCDKGGTXCNEMJ-CQSZACIVSA-N 374.514 2.987 0 50 FFAA O=c1c2sc(-c3ccccc3)cc2ncn1C[C@H]1CCCN(CCO)C1 584889787 WUGKABLTNGVNOY-HNNXBMFYSA-N 369.490 2.829 0 50 FFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1csc2c1CCCC2 670434967 VOFBZRWMOLZVIR-GOSISDBHSA-N 371.506 2.825 0 50 FFAA CN(c1ccccc1)c1nnc(CS(C)(=O)=O)n1CCc1ccccc1 1354548069 QMDDCEMLVSCGMI-UHFFFAOYSA-N 370.478 2.833 0 50 FFAA Cc1ccc(F)cc1CC(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 952976092 JKOHEBHTYWSEOE-GFCCVEGCSA-N 355.369 2.760 0 50 FFAA COC[C@H]1[C@@H](NC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)[C@H]2CCO[C@H]21 1565508351 ZLWOEZRSKZLHDO-IEARMKQFSA-N 356.466 2.802 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1SCCc2ccccc21 170644373 CDVWCZVCXCSXCG-AWEZNQCLSA-N 360.508 2.591 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H]1NC(=O)N(c2ccncc2)C1=O 170613804 HOWVCAYGTKBKSG-QGZVFWFLSA-N 365.368 2.821 0 50 FFAA O=C(CC1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCCC1 192546821 ZFOGZPVOEODOLI-UHFFFAOYSA-N 350.846 2.910 0 50 FFAA Cc1ccc(N2CCC(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)nc1 194158266 NSNIATQIMXUINA-UHFFFAOYSA-N 362.437 2.826 0 50 FFAA CCc1cc(C(=O)N[C@@H](CC)[C@H](O)c2c(F)cccc2F)cc(O)n1 778389942 KRGQDGAEGWJUBY-YOEHRIQHSA-N 350.365 2.870 0 50 FFAA CCCCN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1)C1CCCCCC1 1529101638 JAOMMRQMQFQLOR-UXHICEINSA-N 373.497 2.989 0 50 FFAA O=C(CCC(=O)N1C[C@H](c2ccncc2)[C@@H](C(=O)O)C1)c1ccc(F)cc1 219703343 ZADLIZBRYQVVKS-SJORKVTESA-N 370.380 2.510 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3cccc(OC(F)(F)F)c3)C[C@@H]12 1704344963 RIFNFCBPJXPPIZ-NVXWUHKLSA-N 372.387 2.504 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3sccc3Cl)C2)C1=O 11713010 ZVDUBBRHECMZRO-MRXNPFEDSA-N 356.875 2.503 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C/C=C/c1ccccc1 11843457 XHIFPTGLEVYFHQ-MRSBXDGLSA-N 374.448 2.779 0 50 FFAA Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 12003688 QQFJAYXREQVFTF-ZDUSSCGKSA-N 358.419 2.560 0 50 FFAA COc1cccc(OCc2nc(C(=O)NCc3csc(C)n3)co2)c1 12386052 ABSDQIQFXXBIIF-UHFFFAOYSA-N 359.407 2.957 0 50 FFAA O[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CC[C@H]1N1CCCCCC1 12594379 NJRDNXFUYCFUPV-NHCUHLMSSA-N 354.498 2.684 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccccc2)cc1 13519526 FQCSYHFGMVZOJO-UHFFFAOYSA-N 361.449 2.630 0 50 FFAA CC(C)CN(C)[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14753115 STJJJXCMEWWQLL-AWEZNQCLSA-N 360.527 2.857 0 50 FFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@H]1CC(=O)N1CCCCCC1 16651219 CWEUUDIXDHWEOL-MRXNPFEDSA-N 352.438 2.911 0 50 FFAA CC[C@@]1(C(=O)N2CCc3n[nH]cc3C2)C[C@@H]2CC[C@H]1N2Cc1ccccn1 1857671811 QZYBEBNYFRNHCZ-FBBABVLZSA-N 365.481 2.523 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc(OC)c(OC)cc1OC 1857682023 MDQNOYONIDNYRG-YARKZXGKSA-N 363.410 2.570 0 50 FFAA COCCN(C)C(=O)c1ccc(Oc2ccc(CN)cc2OC)c(OC)c1 1857690357 IMFLCHZPECZKEK-UHFFFAOYSA-N 374.437 2.673 0 50 FFAA O=C1CCCN1c1ccc(CN2C(=O)[C@]3(CCNC3)c3ccccc32)cc1 1875246897 GQDGYXUCQYTGSR-QFIPXVFZSA-N 361.445 2.591 0 50 FFAA CCCC[C@@H]1CN(c2nccc(N3CCC(O)CC3)n2)C[C@H](C(C)C)O1 1875250080 WDUUIORKQWAREK-QZTJIDSGSA-N 362.518 2.858 0 50 FFAA CNCCN1C(=O)CC[C@@H]2CN(Cc3oc4ccccc4c3C)CC[C@@H]21 216858657 YTKXBHQPXYMACL-AEFFLSMTSA-N 355.482 2.774 0 50 FFAA CCOc1ncccc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2CC(C)C)C1 216805161 XICKNTCUSZDBHU-WBVHZDCISA-N 359.470 2.589 0 50 FFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1 330298675 LUQPWISDVHNEHE-ZIAGYGMSSA-N 370.434 2.758 0 50 FFAA Cc1cc(CNCC2(O)CCOCC2)cc(C)c1OCc1ccccn1 237617607 FJDNTDZFIKBPEP-UHFFFAOYSA-N 356.466 2.909 0 50 FFAA CCn1cnnc1[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 246151678 PKTPAXDUVVMOMX-OLZOCXBDSA-N 362.865 2.553 0 50 FFAA Cc1ccccc1-c1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc1 1704330086 WNWUYEDAYQEQIS-MOPGFXCFSA-N 364.445 2.591 0 50 FFAA CN1C[C@@H](NC(=O)c2cnc(O)cc2C(F)(F)F)Cc2ccccc21 913051724 QXPSBGNMKKJOCR-NSHDSACASA-N 351.328 2.597 0 50 FFAA COc1ccccc1[C@@H](OC)C(=O)N=c1ccn(-c2ncccc2Cl)[nH]1 1875319141 QLUBZAYIGRRSBV-MRXNPFEDSA-N 372.812 2.677 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(c3ncnc4c3CCCCC4)C2)ccn1 886056830 KUTRVJLRNSSOME-GOSISDBHSA-N 367.497 2.860 0 50 FFAA CC[C@@H](CNC(=O)Cn1cc([C@@H]2CCOC2)cn1)Oc1ccccc1C 2325771234 MCFDVNADYKJZJD-AEFFLSMTSA-N 357.454 2.669 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N1CCc2cc(O)cc(F)c2C1 2325787558 HJZUJZRSEFQPNN-UHFFFAOYSA-N 355.413 2.802 0 50 FFAA O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CC[C@@H]1F)c1ccc2c(c1)CCCCN2 2325867969 KMLCRRFPMYYCTK-BBWFWOEESA-N 359.445 2.514 0 50 FFAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1 779198 QWWFEAZQGHQYJZ-UHFFFAOYSA-N 374.495 2.780 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccccc1 2203452 GVDVCLSVHXYYLI-ZDUSSCGKSA-N 351.435 2.732 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2c(C)nc3sccn23)C1=O 2356167151 JCEJSSOPAKISPW-GOSISDBHSA-N 360.483 2.711 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 4150409 JTUBJJWMUUKQGL-MNOVXSKESA-N 364.467 2.945 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](N3CCC(N4CCCCC4)CC3)C2=O)cc1 4996526 QOIZFAPTMQSSBY-LJQANCHMSA-N 355.482 2.577 0 50 FFAA Cc1ccccc1N1C(=O)C[C@H](SCC(=O)Nc2ccccc2)C1=O 100271338 WIFLHXVONDJYEN-INIZCTEOSA-N 354.431 2.999 0 50 FFAA COCCCN1CCN(C(=O)CCSCc2ccc(F)cc2)CC1 55099401 ZNIDHFMLCMUXHL-UHFFFAOYSA-N 354.491 2.630 0 50 FFAA O=c1n(CCCc2cccnc2)nc([C@H]2CCCNC2)n1-c1ccccc1 67935064 HYXMMNLVRNKLKZ-SFHVURJKSA-N 363.465 2.529 0 50 FFAA COc1ccc(CN(Cc2cccc(C)c2)C(=O)CN2CCOC2=O)cc1 55393609 NVTFPRPSZIXMNC-UHFFFAOYSA-N 368.433 2.985 0 50 FFAA O=C1C[C@@H](NCc2cccn2-c2ccccn2)CN1Cc1ccc(F)cc1 20865007 KLCBNXHVCMLKIR-GOSISDBHSA-N 364.424 2.902 0 50 FFAA CC(=O)NCCCN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 117889570 BXONAGRPVWQRCS-IBGZPJMESA-N 357.429 2.964 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)cc1F 67840413 WCAIDUOZLZOFCV-UHFFFAOYSA-N 368.474 2.547 0 50 FFAA CCOc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)cc1 23360338 SRJCNUNGOCEWPU-FQEVSTJZSA-N 370.493 2.860 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)C3(Cn4cccn4)CC3)C2)cc1 77517679 UDVLWAXLYQATFJ-QGZVFWFLSA-N 369.465 2.990 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cn3ccccc3n2)s1 23620138 ZXPZSWGAKPRWDK-CQSZACIVSA-N 368.462 2.791 0 50 FFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCCC[C@@H]2c2ncon2)CC1=O 123639114 CFZOEPIVJHCUDB-HYVNUMGLSA-N 368.437 2.733 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccccc3C)ncn2)n1 65361804 ZKTFPXMPTGOMIV-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CC1(C)O[C@@H]2O[C@H](COCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 5304016 VBHDSMINHHDYGJ-JJTUDDRGSA-N 350.411 2.600 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)nc(-c2cccnc2)n1 284574360 NLAWQTAHMSKEAK-HLIPFELVSA-N 354.454 2.603 0 50 FFAA Cn1nc(CN2CCCN(c3ncccn3)CC2)c2c(Cl)cccc21 214970508 VPJVEKXVLJDVOB-UHFFFAOYSA-N 356.861 2.729 0 50 FFAA O=C(c1cocn1)N1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 328604480 KDFYEYWIUVYOLD-FOIQADDNSA-N 364.405 2.842 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2csc(C)n2)n1C 328624714 KBCREQWWMQXBOR-INIZCTEOSA-N 360.483 2.794 0 50 FFAA Cc1c([C@H]2[C@H](CNCc3cnc(C4CCC4)s3)CC(=O)N2C)cnn1C 328639239 WTTQEKZQLIQGNJ-KBXCAEBGSA-N 373.526 2.762 0 50 FFAA COc1cccc(CN2CC3(CCN(C(=O)C4CCC4)CC3)CC2=O)c1 77438810 OVLHOUWBZUJNBA-UHFFFAOYSA-N 356.466 2.836 0 50 FFAA CCOc1ccc([C@H](COC)NC(=O)Cn2cc3ccccc3n2)cc1 253422990 QXZDNNWEAASMMK-IBGZPJMESA-N 353.422 2.939 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@@H](c2ncc[nH]2)C1 77436865 YUQSSMWZROKMKF-CYBMUJFWSA-N 369.400 2.938 0 50 FFAA CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Cc1ccncc1 72469269 OPQZJDKBEHMOQW-QGZVFWFLSA-N 363.465 2.796 0 50 FFAA CCOC(=O)CCNC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C 13331403 NZOYCFNQWKGRJX-UHFFFAOYSA-N 358.442 2.931 0 50 FFAA CN(OCc1ccccc1)C(=O)c1cc(N2CCNC2=O)c(F)cc1F 156233302 BNRRXLGZEJUDHM-UHFFFAOYSA-N 361.348 2.698 0 50 FFAA FC(F)(F)CCc1ccnc(N2CCC(Nc3ncccn3)CC2)n1 71388610 PTJJDEJGZOBAFJ-UHFFFAOYSA-N 352.364 2.842 0 50 FFAA O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCC[C@@H](c2ncc[nH]2)C1 77394087 SWBSWCLDPSMNTD-LLVKDONJSA-N 356.813 2.924 0 50 FFAA CCn1cc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)ccc1=O 369087459 IFDXEMJSWGWLKY-AWEZNQCLSA-N 362.380 2.547 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCO[C@H](C(=O)O)C3)sc2C)cc1 262919322 UYQBUBAFIVYYGR-HNNXBMFYSA-N 361.419 2.658 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CC[C@@H](C(=O)O)C3)c2C)cc1 237851709 SASKYXWQNVDWJZ-GOSISDBHSA-N 369.465 2.722 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)CO2 222238062 XKZZKEZKYDXNDK-OAHLLOKOSA-N 367.449 2.540 0 50 FFAA COc1cccc2c1CC[C@H]2NC(=O)N1CCC(c2nc(C)no2)CC1 177622802 JZJYQTWBMNFCAD-MRXNPFEDSA-N 356.426 2.963 0 50 FFAA CCCc1cn(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nn1 48436030 XSNRAWTUZPVOFP-UHFFFAOYSA-N 370.453 2.554 0 50 FFAA COCCN1CCC[C@@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 426410466 IPUMWKGQPDIOOH-KRWDZBQOSA-N 368.481 2.540 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)cc1 426649612 KBGBQLQKNXHTKF-GOSISDBHSA-N 372.490 2.629 0 50 FFAA O=C(CCc1cc(O)no1)N1CCc2[nH]nc(-c3cc(F)cc(F)c3)c2C1 19608419 KDDVWVQERLKPDV-UHFFFAOYSA-N 374.347 2.566 0 50 FFAA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1 160522583 CMYIKAVMSGHPPK-TZMCWYRMSA-N 360.435 2.717 0 50 FFAA CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 426503286 MBJIAQJNJHHZHY-RDJZCZTQSA-N 370.490 2.613 0 50 FFAA CC(C)c1cc(C(=O)NCCc2csc(-c3cccnc3)n2)nc(N)n1 223091305 DYJGKGXLOSRYJV-UHFFFAOYSA-N 368.466 2.673 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 82127665 IYPDZWSTJDGFPU-KRWDZBQOSA-N 356.470 2.631 0 50 FFAA Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccnn1C 20616394 FZOXKSPHIKUMNR-UHFFFAOYSA-N 354.410 2.876 0 50 FFAA O=C(N[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@H]1O)c1ccccc1 426500324 TVXDJIQLGQEBRC-QZTJIDSGSA-N 362.832 2.844 0 50 FFAA O=C(Nc1cc(F)cc(Cl)c1)N1CCC(N2CCC[C@H](O)C2)CC1 97604182 RGOJVFIWQSNLCT-INIZCTEOSA-N 355.841 2.932 0 50 FFAA O[C@@H]1CN(Cc2ccccc2)CCN(c2ncccc2C(F)(F)F)C1 95512227 NOIONTNZLKDKFY-OAHLLOKOSA-N 351.372 2.784 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cn(C)c2ccccc2c1=O 97413186 SROKPSFLGUPRSB-LJQANCHMSA-N 350.418 2.734 0 50 FFAA COCCCCCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91997836 CWVPJZJIVOWCIS-PKOBYXMFSA-N 358.482 2.956 0 50 FFAA Cc1nn(C)c(C)c1CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95372927 GTONYVAWHYTOQJ-BHDDXSALSA-N 366.509 2.805 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)ccn1 95358317 VTLUZVSDBLVKRV-HXUWFJFHSA-N 370.472 2.871 0 50 FFAA O=C(c1cccnc1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95504380 JUKNJKVLXQVSTN-HNNXBMFYSA-N 353.451 2.803 0 50 FFAA O=C1NCC2(CCN(C(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC2)O1 95515176 NQKWFZKFCBCRKG-UHFFFAOYSA-N 361.295 2.951 0 50 FFAA O=C(Nc1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91737115 CZQOJPVXKJWLPC-KBXCAEBGSA-N 368.412 2.876 0 50 FFAA C=C(C(=O)OC)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 141012670 AJBLEDYODQIESJ-UHFFFAOYSA-N 355.412 2.608 0 50 FFAA COc1ccccc1-c1ncc(-c2cn(Cc3nc(C)cc(C)n3)nn2)cn1 91526621 LXPXSZLKKQCFRC-UHFFFAOYSA-N 373.420 2.866 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)n1 95530176 GDNATWFMZVQVTL-LJQANCHMSA-N 356.470 2.770 0 50 FFAA CN(C)CCN(C)CCCNC(=O)Nc1ccc2nc(C3CC3)oc2c1 239672825 BVLRMEVBGJNPIR-UHFFFAOYSA-N 359.474 2.710 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3ocnc3-c3ccccc3)CCO2)cn1 295611643 DEUBQMNUAACUAA-MRXNPFEDSA-N 352.394 2.772 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@@]4(CCCN(C)C4=O)C3)CCCC2)cc1 91747047 FANJRVBJTZNXEE-NRFANRHFSA-N 370.493 2.978 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC(=O)N(C2CCCC2)C1 91769314 BLWBLETXCHQFEG-KRWDZBQOSA-N 370.493 2.642 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CC(=O)NC3CC3)CC2)C1 91806994 MXYLMVUVTPIMSG-LJQANCHMSA-N 355.526 2.857 0 50 FFAA Cc1n[nH]c(SCCNC(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)n1 97514894 PTXDTICUOYAFTO-LLVKDONJSA-N 374.470 2.542 0 50 FFAA CCn1cc(CN(Cc2cc(=O)n3nc(C4CC4)sc3n2)C(C)C)cn1 244874237 WXBQTPCYPZDELB-UHFFFAOYSA-N 372.498 2.655 0 50 FFAA CN1CCN(C(=O)NCc2cn3ccsc3n2)[C@H](c2ccccc2)C1 298788929 WWRPPFDIAWDWKX-INIZCTEOSA-N 355.467 2.594 0 50 FFAA COc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)nc2ccccc12 1940195446 DDXGXSQOZLSBEV-BEFAXECRSA-N 363.417 2.626 0 50 FFAA O=C1CC2(CCN(C(=O)c3cc(-c4ccc(Cl)cc4)on3)CC2)CN1 267748228 WEUXIFPNXBFVBP-UHFFFAOYSA-N 359.813 2.737 0 50 FFAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 952979545 OICKGEYJYIDTBJ-UHFFFAOYSA-N 374.462 2.789 0 50 FFAA Cc1c(N2CCOC3(CCCC3)C2)nn2c(C(F)(F)F)nnc2c1C 269366148 KORRBSGREJCXLL-UHFFFAOYSA-N 355.364 2.909 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCO[C@H](c3ccccc3)C2)CC1 1506419991 PJCITFUOTVJRTP-FQEVSTJZSA-N 351.450 2.760 0 50 FFAA COc1cc(-c2onc(N3CCC[C@@](C)(O)C3)c2C(=O)O)ccc1F 1704316539 UARJFQCWVBFNTH-QGZVFWFLSA-N 350.346 2.539 0 50 FFAA CNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccccc3C)C2)C1(C)C 219964692 YWXHZPSKXIAHDE-HRAATJIYSA-N 358.482 2.773 0 50 FFAA Cc1nc(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc1C(=O)N(C)C 998451 MKGTUYYYXSDNPL-FNORWQNLSA-N 359.407 2.534 0 50 FFAA O=C(CCn1cccn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 12301038 NJRFQDOUWSGYAG-OAQYLSRUSA-N 372.513 2.695 0 50 FFAA CCN(CCn1cccn1)C(=O)c1cc(COc2cccc(OC)c2)on1 12593911 ARWFDSNKZFEHDB-UHFFFAOYSA-N 370.409 2.621 0 50 FFAA COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)NC4CCCC4)CC3=O)c2c1 12863212 AOBSTSVXNMOUOG-HNNXBMFYSA-N 369.465 2.626 0 50 FFAA CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 14981626 GKXMNDNVBNTFQN-OAQYLSRUSA-N 374.431 2.950 0 50 FFAA OCC[C@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccc(F)cc1 19222196 AXBZZHOJJRRPFM-SFHVURJKSA-N 368.456 2.771 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCC2(CC1)NC(c1ccccc1)=NO2 169755025 REDGQBCZNHFFMN-UHFFFAOYSA-N 353.397 2.669 0 50 FFAA CCc1noc(-c2cccn3c(CNC(=O)c4cccc(C)c4)nnc23)n1 169775992 XFLNEOKDLAYCRD-UHFFFAOYSA-N 362.393 2.580 0 50 FFAA O=C(CCc1nc2ccccc2s1)N1CCCN(C(=O)C2CC2)CC1 158245345 HMZMBUZXTQWMTH-UHFFFAOYSA-N 357.479 2.700 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccccc2)CC12CCN(Cc1nccs1)CC2 1857691589 RFBSJYAWMIOEJG-KRWDZBQOSA-N 371.506 2.942 0 50 FFAA O=C(NCCc1cn[nH]c1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857702093 ZOFSKPBTCBBUGK-UHFFFAOYSA-N 373.844 2.780 0 50 FFAA O=C(c1cc2c(nc1O)CCC2)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857710910 AMJRMOOYTFMNRI-UHFFFAOYSA-N 374.444 2.907 0 50 FFAA C[C@H](c1nc(C2CC2)no1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328646979 SZNJKWFSVIJUPR-UKPHBRMFSA-N 358.490 2.756 0 50 FFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CC[C@H](c2ccco2)C1 732131478 WGKDQQWFANDLEP-LBPRGKRZSA-N 360.797 2.675 0 50 FFAA Cc1nnc(NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)s1 11027319 KBBDITSERJXLED-UHFFFAOYSA-N 354.313 2.959 0 50 FFAA Cc1cc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)nn1-c1ccccc1Cl 333542792 SJMBMSDGOZGZJH-BQGCOEIASA-N 370.840 3.251 0 50 FFAA Cc1nc(C)c(C)c(N2CCC[C@@]3(CCN(C(=O)c4ncoc4C)C3)C2)n1 1875302302 JWWZCYKNOXEWHI-HXUWFJFHSA-N 369.469 2.831 0 50 FFAA CCC[C@@H](OC)C(=O)NCC1(NC(=O)Cc2ccc(C)cc2Cl)CC1 1875345158 UATHARALPBUPPK-MRXNPFEDSA-N 366.889 2.771 0 50 FFAA CCn1cccc1C(=O)N[C@@H]1CCC[C@H]2CN(c3nc(C)ns3)C[C@H]21 1875405660 LJFYZFKADUGIPD-RRFJBIMHSA-N 359.499 2.703 0 50 FFAA O[C@H]1C[C@](CNc2ccnc3c(Br)cnn23)(c2ccccc2)C1 1875404527 LMIAIOODQVMDQA-WJYNOGRTSA-N 373.254 2.996 0 50 FFAA CN1C(=O)CC[C@@H](NCc2ccc(Cl)cc2F)[C@@H]1c1nccn1C 886085353 LQWQBGUODPAMAK-GDBMZVCRSA-N 350.825 2.664 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2nc3ccccc3[nH]2)C1 138290620 UDUJFFOJQVPNJB-ZDUSSCGKSA-N 358.442 2.826 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2[nH]nc3c2CCCC3)s1 23214234 NSUDAJHAJCPRSI-HNNXBMFYSA-N 372.494 2.745 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CN[C@@H]3CCCC[C@H]23)c1Cc1ccccc1 2325795499 IRKQDQAFGFKFKM-YQVWRLOYSA-N 352.482 2.519 0 50 FFAA Cc1[nH]c(-c2ccncc2)nc(=NC[C@H]2C[C@](O)(C(F)(F)F)C2)c1C 2325802937 GGYZSFAQPSRKFW-DRQUAOQDSA-N 352.360 2.693 0 50 FFAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1ccc(-n3cnnc3)cc1)C2 2325803174 VTBBXQNEBAHFSK-UHFFFAOYSA-N 361.449 2.527 0 50 FFAA CCOc1ccc(NC(=O)[C@H]2CCc3cc(OC)ccc32)c(C(N)=O)c1 859494383 UDOLPKAZPQTSOY-INIZCTEOSA-N 354.406 2.861 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 1113545 ADQWVFRYPVMXQV-KRWDZBQOSA-N 364.511 2.798 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(CC3CCOCC3)CC1)OCC2 2356159058 KAAGZKFDVJOKOX-UHFFFAOYSA-N 361.482 2.994 0 50 FFAA CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(C)cc2)CC1 4933407 SATXQQDPNIXTLB-UHFFFAOYSA-N 367.449 2.681 0 50 FFAA Cc1sc(NC(=O)c2ccnn2C)c(C(=O)NCc2cccnc2)c1C 6715405 ZMCZQLDPMPBTAV-UHFFFAOYSA-N 369.450 2.676 0 50 FFAA CC(C)N1CCC(NC(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 225540077 ZQLHPCGYHZKSHH-INIZCTEOSA-N 373.526 2.649 0 50 FFAA O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nccc(CCC(F)(F)F)n2)C1 102850110 KFKSYAZPQFZFKW-STQMWFEESA-N 364.371 2.757 0 50 FFAA CC(C)COc1ccccc1CN(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 55369486 GOIHSPVIPHJUSM-HNNXBMFYSA-N 353.484 2.505 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCNC(=O)[C@H]1C 67855042 HBSXTFKPKIKNEJ-SNVBAGLBSA-N 353.344 2.989 0 50 FFAA Cc1ccccc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 67629601 GTGXJJMIXOUJRE-CYBMUJFWSA-N 350.415 2.927 0 50 FFAA COCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1CCC(C)C 22448829 IVFDDPJFRQBYGM-UHFFFAOYSA-N 370.497 2.832 0 50 FFAA CC[C@@H](C(=O)NCc1cccnc1Oc1ccccc1)N1CCOCC1 67919753 NACCWGUJZLTCHW-SFHVURJKSA-N 355.438 2.601 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1nccn(C2CC2)c1=O 328624256 CIMZIOSGUJALCD-ZFWWWQNUSA-N 362.474 2.689 0 50 FFAA CN1CC[C@@H](CNCc2ccc(N3CCCC3)nc2)[C@@H]1c1cccnc1 328655563 YLWRMSKSHIIPPU-FPOVZHCZSA-N 351.498 2.859 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 252494248 NPNFLBJRBCLPHU-LBPRGKRZSA-N 369.400 2.738 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3F)n2)c1 2799237 VFBZFRGENPKSPC-UHFFFAOYSA-N 356.357 2.735 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cnn(CC)c3C)C2)CCC1=O 77375727 OQFCFDAJNZALSS-HXUWFJFHSA-N 360.502 2.856 0 50 FFAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccco2)CC1 6402601 FGGCTJSPMZAVBD-UHFFFAOYSA-N 359.451 2.565 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2c[nH]nc2C1 332854289 ZVLSUBAGSHJRHX-RNCFNFMXSA-N 369.391 2.563 0 50 FFAA Cn1cnnc1C1CCN(C(=O)Nc2nc3c(s2)CCC3(C)C)CC1 333510120 IYNCZZROGUWSPB-UHFFFAOYSA-N 360.487 2.907 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCCN(Cc2ccccc2F)CC1 77536530 JHTIHMGLQIPXBS-FQEVSTJZSA-N 370.424 2.700 0 50 FFAA CCn1ccnc1CNC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 334072077 HLUBRDJHFGGRLG-CYBMUJFWSA-N 374.407 2.794 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 237640771 RWQQZNUFYYIUNU-OAHLLOKOSA-N 358.394 2.807 0 50 FFAA COc1cc(F)c(-c2nccn2CCN2CCN(C(C)C)CC2)c(F)c1 71775597 JQTRPNUHVZVYQR-UHFFFAOYSA-N 364.440 2.863 0 50 FFAA O=C([C@@H]1CCc2cn[nH]c2C1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 156626329 ZUVLGZWFWRBMQT-RHSMWYFYSA-N 362.437 2.663 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2cccn2C)[C@@H]2C3CCN(CC3)[C@H]12 72158696 RVNNQDJEJGQRAX-IOMROCGXSA-N 365.477 2.736 0 50 FFAA COC(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1CCCc1ccccc1 14999151 UFUSMPAWZYGLFU-PMACEKPBSA-N 372.509 2.932 0 50 FFAA COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCOC3(CCCC3)C2)c1 157968642 RTYSQSOFVIVYTO-OAHLLOKOSA-N 362.470 2.526 0 50 FFAA NC(=O)c1noc(Cn2ccnc2-c2cccc3c2oc2ccccc23)n1 77489794 OQNCXHKYSOHUIT-UHFFFAOYSA-N 359.345 2.980 0 50 FFAA COc1cccc2[nH]cc(CC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c12 378509442 WNEQOCIEVMQFAU-HNNXBMFYSA-N 354.410 2.733 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cn(C)c2ccccc2c1=O 77323155 BOJFFXDDYZKRLP-UHFFFAOYSA-N 372.428 2.996 0 50 FFAA O=C(N1CCN(c2ncnc3ccsc23)CC1)N1CCc2ccccc21 174315779 JPGPKQPQUZWUCK-UHFFFAOYSA-N 365.462 2.996 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCC(CCn3cccn3)CC1)C2 82161708 SOPIHDRSZVWMQZ-GOSISDBHSA-N 369.465 2.772 0 50 FFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H]1C[C@@]12CCc1ccccc12 175126133 OHOVBYLHLODICV-DBXWQHBBSA-N 367.470 2.925 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccco1)c1csc(Cc2ccccc2)n1 82157343 KJLAEOVCJYNGKD-HNNXBMFYSA-N 356.447 2.908 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)NC1CCN(C[C@H]2CCCO2)CC1 220070917 NWKQKDKHKWMCPA-MRXNPFEDSA-N 354.853 2.781 0 50 FFAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1Cc1cccnc1 40391575 WEBDKGDHGKJZPU-UHFFFAOYSA-N 372.363 2.689 0 50 FFAA Cc1nc(C2CCN(C(=O)c3nc4ccc(Cl)cn4c3F)CC2)n[nH]1 426677893 XOUNHUUSCMGWSS-UHFFFAOYSA-N 362.796 2.573 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 221167656 CTJWKDFQWINGFW-KRWDZBQOSA-N 356.426 2.656 0 50 FFAA COc1cc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc(OC)c1OC 426503186 LVXGCLBNXPHZHA-MOXGXCLJSA-N 365.470 2.871 0 50 FFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ncc(C)[nH]2)cc1 426406020 BWRBFVRLHORKKY-QGZVFWFLSA-N 358.442 2.618 0 50 FFAA COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 95357840 SIPVKPQCPHYJKN-LJQANCHMSA-N 370.493 2.810 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@@H](CCn1cncn1)c1ccccc1 91737553 TZUPOYXHXHMPTO-KRWDZBQOSA-N 372.375 2.883 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1=O 91547988 VPGSDODVAVOVOM-HNNXBMFYSA-N 364.449 2.839 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(Cc1cnn(C)c1C)CC2 91486817 HFAUNFXXPUIYOM-UHFFFAOYSA-N 356.518 2.601 0 50 FFAA CCCN1C[C@@H](NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2C)CC1=O 97294742 OWQCWRSYXJNSLU-INIZCTEOSA-N 374.485 2.609 0 50 FFAA Cc1ccccc1CN1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 92064979 LXADQHHNQRVYJP-FQEVSTJZSA-N 355.526 2.904 0 50 FFAA CCc1n[nH]c(SCc2nc(-c3ccncc3)nn2CC(F)(F)F)n1 96149491 PGGRBZPVVQDTNW-UHFFFAOYSA-N 369.376 2.875 0 50 FFAA O=C(Nc1ccc(F)c(F)c1)[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 244209040 VTCGRMBWMWPUQH-RYUDHWBXSA-N 360.316 2.907 0 50 FFAA CC[C@@H](C)c1ccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)cc1 244795081 QZCPWKVFQPKARN-MRXNPFEDSA-N 368.481 2.925 0 50 FFAA O[C@@H]1Cc2ccccc2C12CCN(Cc1nc(-c3ccncc3)no1)CC2 244734435 NFJPPGVGGUCXLL-GOSISDBHSA-N 362.433 2.582 0 50 FFAA CCN(CC)[C@@H](CNC(=O)c1cc(C(F)(F)F)nn1C)c1ccco1 299801099 VVFVMWRMIBBPCS-LBPRGKRZSA-N 358.364 2.845 0 50 FFAA C[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)c1nncn1C1CCCC1 299761758 YWWLHZLISWZLMH-GFCCVEGCSA-N 370.413 2.846 0 50 FFAA Cc1conc1CNC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1347291360 DNIMSVHXVFVOSF-OXQOHEQNSA-N 369.421 2.648 0 50 FFAA COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(O)c1 16625906 IYXMUEOGJVDAIZ-UHFFFAOYSA-N 358.213 2.964 0 50 FFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)[C@@H](C)c1cccs1 871821096 BRNLXLUZKCFDFB-NSHDSACASA-N 369.464 2.766 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cnc3c(c2)CCCC3)cc1OC 952977204 XHPGVBQNGOODBP-UHFFFAOYSA-N 369.421 2.806 0 50 FFAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](c3cnn(C)c3)C2=C1O 888089141 LCSXKQQGSXXOPS-KRWDZBQOSA-N 361.405 2.762 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)NCCc1ccccc1 1565509538 KLVZZJGYIQIDTQ-MJGOQNOKSA-N 355.482 2.662 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2sc3nccn3c2C)CC1 269914117 RTFTTZNMUNUASC-UHFFFAOYSA-N 356.451 2.675 0 50 FFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(OC(F)F)n(C)n1 186063810 BCKBOJKAJQFJCS-ZDUSSCGKSA-N 364.396 2.763 0 50 FFAA CCOC(=O)N1CC[C@@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 170597996 PXKOWRAKHIUTGL-CYBMUJFWSA-N 356.369 2.568 0 50 FFAA O=C1CO[C@H](C(=O)NCCC2CCCCC2)[C@@H](c2ccccc2Cl)N1 1529167724 MZFVCUZGMFFSBJ-MSOLQXFVSA-N 364.873 2.983 0 50 FFAA CCCc1nnsc1C(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](NC(C)=O)C1 222533713 XNRKQQRFEHSQFS-WBVHZDCISA-N 372.494 2.543 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)CCCc3c[nH]c4ccccc34)C[C@@H]12 1704327235 AUMLEHNFDMNYDG-IFMALSPDSA-N 369.509 2.796 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)Cc2nc(C)c[nH]2)co1 12434015 YXMKRCMSTCWNHG-UHFFFAOYSA-N 370.409 2.874 0 50 FFAA c1ccc(CC[C@@H]2CCCCN2Cc2nc(-c3cnccn3)no2)nc1 12449401 OWDZNTSJAHEXBL-INIZCTEOSA-N 350.426 2.909 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(CCCn3cccn3)C2)cc1OC 14963202 CJKRRGYGKQMKHV-KRWDZBQOSA-N 357.454 2.885 0 50 FFAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1CCc1cccnc1 14985534 BJGZKHMZXCOCLY-IBGZPJMESA-N 371.456 2.813 0 50 FFAA C/C(Nc1ccc(F)cc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 17029275 BNSSSWAUBGXNGE-FOWTUZBSSA-N 353.353 2.790 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)cc1OC 19559869 LHIRWTKUYYPFGD-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA COc1ccccc1CN1C(=O)O[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]21 19835843 HAIBBXZXLGMDKV-PZJWPPBQSA-N 364.445 2.868 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3ccccc3)nn2)n1 19924159 MGQZKUGKQPFCBI-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)c1 169776429 AYXKGVVRYTXUHU-CQSZACIVSA-N 350.422 2.568 0 50 FFAA O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1 169780170 KCWNURVZNXAANE-UHFFFAOYSA-N 360.377 2.587 0 50 FFAA CO[C@H]1C[C@@H](CNC(=O)c2ccsc2Cl)N(c2cc(C)ncn2)C1 1857530458 CRXXSDYZADRGSK-RYUDHWBXSA-N 366.874 2.524 0 50 FFAA NC(=O)c1cccc(CN2C(=O)C[C@@H](c3cccc(Cl)c3)NC2=O)c1 1857531481 CPFZIOHXBYQOSB-HNNXBMFYSA-N 357.797 2.622 0 50 FFAA Cc1cnc([C@@H](C)NC(=O)c2cc3c(s2)C2(CCN(C)CC2)OCC3)[nH]1 1857688009 OXYBRNSWDTZXIV-CYBMUJFWSA-N 374.510 2.764 0 50 FFAA O=C1NCCC[C@]12CN(Cc1ccc(Oc3ccccc3)cc1)CC[C@H]2O 1857689724 WIJDNNFCMCOHLP-IFMALSPDSA-N 366.461 2.942 0 50 FFAA Cc1ccc(-c2cc(CN3CCC4(CC3)CC(=O)NCCO4)on2)cc1 1857703424 LPQDZAOGPXXVCZ-UHFFFAOYSA-N 355.438 2.521 0 50 FFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NC4CCOCC4)C3)nc2c1 1857724666 MLEYTGLAIZBBJL-AWEZNQCLSA-N 373.453 2.738 0 50 FFAA O=C(O)CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 408513245 FMEGXPJXMWVSAJ-UHFFFAOYSA-N 361.316 2.681 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)c(Cl)c2ccccc21 237709884 ITTZBPUVEQNPLE-GFCCVEGCSA-N 364.829 2.928 0 50 FFAA COC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 363436087 JQTWLEDJRHCLEX-YGRLFVJLSA-N 359.253 2.749 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)C1 901501728 WHXJGVKDIPHLCL-QGZVFWFLSA-N 354.406 2.526 0 50 FFAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1C(F)(F)F 864144676 CDRODEBBNSMOSC-ZDUSSCGKSA-N 359.344 2.871 0 50 FFAA Cc1sc2nc(-c3cccnc3)nc(N(CC(N)=O)C3CC3)c2c1C 1875261750 JFYLNSFNAXLUDH-UHFFFAOYSA-N 353.451 2.824 0 50 FFAA O=S1(=O)CCC(O)(CN2CCCC[C@@H]2Cc2cccc(Cl)c2)CC1 886044864 IJGASSVDFLLESU-QGZVFWFLSA-N 371.930 2.677 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)NCCc2cccc(OCC)c2)c1 1466184418 HERZTTUPJQEUNH-UHFFFAOYSA-N 354.406 2.888 0 50 FFAA Cn1c(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)nc2ccccc21 15062910 QNUYCFXYRJGLBH-OAQYLSRUSA-N 352.482 2.798 0 50 FFAA CN(C)c1ccc(N2CCN(c3cc(Br)ncn3)CC2)cc1 2325807137 DBWMYYITNAZICG-UHFFFAOYSA-N 362.275 2.632 0 50 FFAA O=C(c1c[nH]nc1-c1cccs1)N1CCN[C@@H](Cc2ccccc2)C1 2325858257 FUOGEPMQNNHISR-HNNXBMFYSA-N 352.463 2.795 0 50 FFAA CC1(C)COc2cc(N[C@H]3CC(=O)N(c4ccc(O)cc4)C3=O)ccc21 2325873067 XTSJPJGOYVILFS-INIZCTEOSA-N 352.390 2.806 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 2325888588 IMASMGOYAALJIN-MFKMUULPSA-N 369.248 2.968 0 50 FFAA C[C@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)c1ccc2c(c1)OCO2 116155004 DOYRLUWGSWLOOE-LBPRGKRZSA-N 363.373 2.657 0 50 FFAA CCc1ccc(N2C[C@@H](C(=O)NCCc3ccc(OC)cc3)CC2=O)cc1 871662 MVZGRTCFZYUWMB-SFHVURJKSA-N 366.461 2.969 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)c1 1131266 DWUXOADNYZZIEE-ROUUACIJSA-N 356.447 2.916 0 50 FFAA COc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 1147411 FKVTZMQDWWBUSP-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA Cc1c(NC(=O)c2cc(CC(C)C)on2)c(=O)n(-c2ccccc2)n1C 2465787 XQCMTMNJTZSAGR-UHFFFAOYSA-N 354.410 2.923 0 50 FFAA O=C(N=c1[nH][nH]c2cc(C(F)(F)F)ccc12)c1ccccc1-n1cnnc1 2356149767 ATSRBGYAXUBHFC-UHFFFAOYSA-N 372.310 2.837 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCC3(O)CCN(C)CC3)ncnc21 2356156455 CFMPEFLLQVNPGE-UHFFFAOYSA-N 374.533 2.694 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3ccc(=N)[nH]c3)C2=O)cc1 2356163983 ZILTWUWAVPIGBQ-OAQYLSRUSA-N 364.449 2.604 0 50 FFAA O=C(c1ccco1)N1CCC(N2CCN(c3ccccc3F)CC2)CC1 4712130 JQQHLFRNXMOOIM-UHFFFAOYSA-N 357.429 2.846 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 8477107 BLQLDIGYIYDWCN-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(-n3cncn3)c(Cl)c1)C2 102006979 PINHGNJYZWTNDK-LAQFHYBYSA-N 374.876 2.725 0 50 FFAA CCOc1ccc([C@H]2CC(=O)NCc3nc4ccc(C)cn4c32)cc1CO 65386933 ZUCKYJXVZQFYDF-MRXNPFEDSA-N 365.433 2.686 0 50 FFAA COc1ccc(OC)c(CN2CCc3[nH]cnc3[C@@H]2c2cnn(C)c2C)c1 67757639 KSTKRDFUOCKHAK-FQEVSTJZSA-N 367.453 2.617 0 50 FFAA CCC(=O)c1ccc(OCC(=O)NCCCNc2ccc(C)cn2)cc1 55359323 BFXPCPRWRMLJPW-UHFFFAOYSA-N 355.438 2.980 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCc2[nH]nc(C3CCC3)c2C1 23398116 KJLUSXNNHIQOAI-UHFFFAOYSA-N 360.421 2.728 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)no1 65382312 ASWPHLCZWMHKKA-UHFFFAOYSA-N 353.426 2.936 0 50 FFAA C[C@@]1(c2cccc(C(=O)N[C@H]3CCCc4sccc43)c2)NC(=O)NC1=O 137403622 JEMQFFGXIVFUHR-LIRRHRJNSA-N 369.446 2.610 0 50 FFAA C[C@@]1(c2cccc(C(=O)N[C@@H]3CCCc4sccc43)c2)NC(=O)NC1=O 137403519 JEMQFFGXIVFUHR-KUHUBIRLSA-N 369.446 2.610 0 50 FFAA COc1cc(CCNc2cc(C3CCN(C)CC3)ncn2)cc(OC)c1 63884256 KYYAOPNKCWIKKV-UHFFFAOYSA-N 356.470 2.958 0 50 FFAA Cc1nc(C2(NCC(=O)Nc3nc(-c4ccco4)cs3)CCC2)no1 120421046 SVQXCGHGPHCYAB-UHFFFAOYSA-N 359.411 2.702 0 50 FFAA Cc1cc(C)c(CN2CCN(CC3CC3)CC2)cc1CN1CCN(C)CC1 216114484 ACCGBAJVHLZSRB-UHFFFAOYSA-N 370.585 2.578 0 50 FFAA COc1ccc(-c2nc(CN3CCO[C@H](CCO)C3)c(C)o2)c(C)c1C 71763323 HDKPDSJTEQGOIH-MRXNPFEDSA-N 360.454 2.859 0 50 FFAA C[C@H](C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1 437959056 SQJXBIJBLNVRIR-WMQCIHAUSA-N 350.462 2.902 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)n1 32498043 SHIBALBLXPDBFW-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA C[C@H](c1cccnc1)N(C)Cc1cccc(OCCN2CCOCC2)c1 215516350 XJFXTRUTRQARHJ-GOSISDBHSA-N 355.482 2.986 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 72138724 FLBDALBPCPIKPL-HNNXBMFYSA-N 363.845 2.656 0 50 FFAA O[C@@H](COc1ccccc1CNC1CCCC1)CN1CCSCC1 12703384 OSYSVHMSHUJOLJ-GOSISDBHSA-N 350.528 2.507 0 50 FFAA CN(CC(F)(F)F)C(=O)CN1CCC[C@H]1c1nc2ccccc2n1C 370116253 FEPDJXOHJLZYFL-AWEZNQCLSA-N 354.376 2.731 0 50 FFAA COCCc1nc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)no1 72419268 VSOAMZVPYSORCQ-UHFFFAOYSA-N 368.372 2.719 0 50 FFAA Cc1noc2ncnc(N3CCC[C@](CO)(CCOc4ccccc4)C3)c12 71404203 LEFUTDIPYXMODY-FQEVSTJZSA-N 368.437 2.974 0 50 FFAA O=C(CC1(O)CCC1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 448749334 FPCZQJKCASHEPA-SFHVURJKSA-N 365.433 2.974 0 50 FFAA CCOc1ccc(CN2CC[C@H]3NCCC[C@]3(C(=O)O)C2)cc1Cl 72161376 RYCCOQCHLJFHNT-AEFFLSMTSA-N 352.862 2.767 0 50 FFAA O=C1C[C@H](NC(=O)c2ccc(CSc3nnc[nH]3)o2)c2ccccc2N1 219244773 PMRIYLGGMDANKK-ZDUSSCGKSA-N 369.406 2.503 0 50 FFAA Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)c3ncc[nH]3)CC2=O)cc1 77357294 QGRICNHFYASEBK-LJQANCHMSA-N 374.444 2.818 0 50 FFAA Cn1cc(/C=C/C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)cn1 48139989 YXZJNAFISUIRIP-AATRIKPKSA-N 351.385 2.547 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1scc2c1OCCO2 220193072 SLSLALCVGHFTEZ-AWEZNQCLSA-N 355.419 2.887 0 50 FFAA CCn1c(SCC(=O)OC)nnc1[C@@H](C)Oc1ccc(OC)cc1 17072912 HCCSEGQJMVBJKB-LLVKDONJSA-N 351.428 2.712 0 50 FFAA Cc1nc(O)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1Br 263445844 QWZNLRPGOVXADG-JTQLQIEISA-N 371.231 2.575 0 50 FFAA Cc1ccn2c(C(=O)NC[C@@H]3CC(=O)N(c4ccccc4)C3)c(C)nc2c1 426490499 ZVBNNCHEYSWVHR-INIZCTEOSA-N 362.433 2.734 0 50 FFAA Cc1nc2c(NC(=O)N3CCC[C@H]3c3nc(C(C)C)no3)cccn2n1 426581064 YNGPTAKDFROLPK-ZDUSSCGKSA-N 355.402 2.913 0 50 FFAA C[C@@]1(C(=O)N2CC[C@H](n3cccn3)C2)CCCN(C(=O)c2ccccc2)C1 291229424 NZBVIMJGYRMOKK-GHTZIAJQSA-N 366.465 2.599 0 50 FFAA O=C(CCc1ccsc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 220398119 AEXIXJTWBDBJDZ-QZTJIDSGSA-N 361.463 2.526 0 50 FFAA Cc1cccc([C@@H](C(=O)N(C)Cc2nc(-c3ccccn3)no2)N(C)C)c1 95373729 OJTVIDLCIOYZRW-SFHVURJKSA-N 365.437 2.701 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)[C@@H]1CCCN(Cc2ccco2)C1 95355710 JJINTIYHIOBGDY-MRXNPFEDSA-N 366.421 2.858 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239173558 OERNYIBFGASXJL-SSGZPDKPSA-N 350.212 2.894 0 50 FFAA O=C(c1cnc(N2CCOCC2)nc1)N1CCCCC[C@@H]1c1ccco1 95375557 XVJLWCCDOUOARZ-MRXNPFEDSA-N 356.426 2.664 0 50 FFAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 95515398 WXNMFXSILHUNNZ-WMZOPIPTSA-N 369.396 2.693 0 50 FFAA Cc1ccc([C@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)C(=O)O)cc1 95526302 GQRDBMQSTIIQLM-SFHVURJKSA-N 372.465 2.666 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)COC[C@H]2CCCCO2)CC1 91424937 FKKXZNUQCJQZKB-GOSISDBHSA-N 363.502 2.975 0 50 FFAA Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cnc2ccnn12 97572099 PLQLIVFIZCQETH-SFHVURJKSA-N 367.428 2.744 0 50 FFAA O=C(Nc1cccn2cnnc12)N[C@@H]1CCCN(Cc2cccs2)C1 96138878 IHCCMGAIUHFZFO-CYBMUJFWSA-N 356.455 2.577 0 50 FFAA CCC[C@@]1(CO)CCCN(C(=O)c2cnc(N3CCCCC3)nc2C)C1 91807899 DPIOVJRIXIGHRO-HXUWFJFHSA-N 360.502 2.790 0 50 FFAA CCOCCOc1ccccc1C(=O)N1CCC2(CCC(=O)N(C)C2)CC1 92037572 HBOXUSHCSUAYRA-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA COc1cccc(SCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)c1 91951166 HPTQAYZHHYYHGM-DLBZAZTESA-N 372.446 2.509 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CC[C@](C)(O)[C@@H](O)C3)cc(C)c2c1 96165975 HOUIALGGJWNACJ-PXNSSMCTSA-N 374.506 2.678 0 50 FFAA CN(CC(=O)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)Cc1ccccc1F 244633638 GGOMFLAFLYMDRH-WFXMLNOXSA-N 356.441 2.886 0 50 FFAA COc1ccc([C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]2C[C@@H](O)C2)cn1 244872864 WFSKDJMXWLUEMG-FHSNZYRGSA-N 362.376 2.919 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)C[C@@H]3CN(C)CCN3C)CCCC2)c1 244724499 MVGOYRBNESMMAQ-HXUWFJFHSA-N 357.542 2.867 0 50 FFAA Cc1oc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1C(=O)O 299747877 FMFOWOJXNJBSAX-UHFFFAOYSA-N 365.769 2.983 0 50 FFAA CN1CCN2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]2C1 299790734 BWQXMKKINYWKEQ-GOSISDBHSA-N 366.465 2.942 0 50 FFAA O=C1C[C@H](CN2CCCN(Cc3cccnc3)CC2)CN1c1ccccc1 299758093 BGWOJXBTXXHLMU-HXUWFJFHSA-N 364.493 2.642 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCc2nc(-c3ccccc3F)no2)C1 584897501 ZOVVKZKDTAEFRD-ZDUSSCGKSA-N 362.405 2.976 0 50 FFAA CCOc1ccc(NC(=O)[C@@H]2CCc3cc(OC)ccc32)c(C(N)=O)c1 859494384 UDOLPKAZPQTSOY-MRXNPFEDSA-N 354.406 2.861 0 50 FFAA Cn1cncc1C(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565508440 HABRBTFJBZLBDD-MOPGFXCFSA-N 352.482 2.589 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc32)cc1OC 268942234 LQAZKYSMDPYLAM-LSDHHAIUSA-N 371.389 2.512 0 50 FFAA C=CC(=O)NCCC(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C 269492512 XYAILVIIAAZRGA-UHFFFAOYSA-N 359.426 2.615 0 50 FFAA Cc1ccc(CC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cn1 275614220 LXYRMQIFKMAGPP-GOSISDBHSA-N 366.465 2.608 0 50 FFAA O=C([C@@H]1COc2ccccc21)N1CCC(O)(c2c(F)cccc2F)CC1 186417154 XYWYKZDGSVKVMN-CQSZACIVSA-N 359.372 2.951 0 50 FFAA CCn1c(S)nc2cc(C(=O)N[C@@H](C)CC(C)(C)OC)ccc2c1=O 170640973 FXEUBTHFBAWLHF-NSHDSACASA-N 363.483 2.639 0 50 FFAA O=S(=O)(c1cccc(F)c1)N1CCN(c2cncc3ccccc23)CC1 190851176 WIOMODDPMMETSP-UHFFFAOYSA-N 371.437 2.885 0 50 FFAA c1ccc(CN2CCCO[C@H](CNC3CSCCSC3)C2)cc1 1506428934 RCINBOLZXMJSII-GOSISDBHSA-N 352.569 2.716 0 50 FFAA O=C(c1cccn1C1CC1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616074685 OVQSPRFJSAYSAN-ICSRJNTNSA-N 351.450 2.721 0 50 FFAA CN(CC(=O)N1CCC([C@@H](O)c2cccs2)CC1)Cc1ccncc1 1506417303 PKSDTASDIQIZQY-LJQANCHMSA-N 359.495 2.547 0 50 FFAA COc1cc(NC(=O)CCc2nc3ccccc3nc2OC)ccc1O 1506419021 XKZYQQUDHQASEC-UHFFFAOYSA-N 353.378 2.924 0 50 FFAA CCCn1nccc1NC(=O)[C@H](C(C)C)n1cnc2ccccc2c1=O 1529147386 YJENNZBLGFONDN-KRWDZBQOSA-N 353.426 2.839 0 50 FFAA Cc1nc(CCNc2ncccc2C(=O)N2CCCC2)nc2c1CCC2 1529187014 NZYOIRZEZYMBSI-UHFFFAOYSA-N 351.454 2.559 0 50 FFAA O=C1CCCc2occ(C(=O)N3CC[C@H](c4ccc(F)cc4)[C@@H](O)C3)c21 210304486 DRVZWYSJSCGVGQ-PBHICJAKSA-N 357.381 2.928 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC[C@@H]2CCOC2)cc1 1704309616 YZKUMMZMFAAQEQ-AWEZNQCLSA-N 371.437 2.717 0 50 FFAA CN1CC[C@@](C)(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 1704329832 CVPHTRBIQFZFSC-OAQYLSRUSA-N 367.493 2.900 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)N1CCC(O)CC1)C2 1772805159 IURCJMPUCSUGFN-GFCCVEGCSA-N 361.467 2.503 0 50 FFAA CN1CCC[C@@H](C(=O)N2CCCN(Cc3cccc4ncccc34)CC2)C1 1775980619 FLQLXTBEQXLKCG-LJQANCHMSA-N 366.509 2.611 0 50 FFAA Cc1c(CC(=O)NC[C@@H](C)O)c2c(n1Cc1ccccc1F)CCCC2=O 12315380 JPDCOLYPUFXNKR-CYBMUJFWSA-N 372.440 2.542 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@@](CO)(CCOc2ccccc2)C1 15062303 OOYQRZRREZLINO-OAQYLSRUSA-N 370.449 2.774 0 50 FFAA O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 16319445 IQOOZTTXOXKGRM-UHFFFAOYSA-N 358.825 2.994 0 50 FFAA COc1ccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cn1 19837804 TUSRXXTUKNIYAE-UHFFFAOYSA-N 364.405 2.767 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1ccccc1-n1nc(C)cc1C)C2 1857691233 BGVHUKXVYQSXOD-HXUWFJFHSA-N 354.454 2.906 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)cc1Cl 1857713963 ZJTWOBYMNMRCGB-RLFYNMQTSA-N 364.873 2.720 0 50 FFAA Cc1ccc(OCCc2nnc(NC(=O)Cn3cccn3)s2)cc1C 1875245782 QVRILLSOQWTSLE-UHFFFAOYSA-N 357.439 2.612 0 50 FFAA C[C@@]1(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1(F)F 421753217 YOFHBQQZWCKKFL-SFHVURJKSA-N 350.409 2.772 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@H](Oc2cccnc2)C1 131354292 CRWXMSHWQAWCSV-AWEZNQCLSA-N 370.375 2.718 0 50 FFAA CCn1ccnc1CN(C(=O)c1cccc(OC)c1)[C@H]1CC12CCNCC2 261815348 XHWHPXVQXCAEAV-SFHVURJKSA-N 368.481 2.696 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2cc(O)ccc2Cl)C1=O 378030695 UOWNHUZENZYNTD-AWEZNQCLSA-N 360.797 2.590 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)Nc5ccc(N6C[C@H]7CC[C@H]6C7)cc5)[C@H]1[C@H]3[C@@H]42 800554450 SYRGZOPAUDTFFV-VMYCFLMOSA-N 360.457 2.941 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1 1875373765 OBWFYISRUJHHPB-UHFFFAOYSA-N 366.465 2.794 0 50 FFAA Cn1cc(C(F)(F)F)c(C(=O)NCCc2cnn(-c3ccccc3)c2)n1 1875316406 OEQSAIGMKGHBRX-UHFFFAOYSA-N 363.343 2.597 0 50 FFAA C[C@H](C(=O)N1CCc2c(O)nc(O)nc2C1)c1ccccc1C(F)(F)F 1875307307 NCASLPHUJVERKS-VIFPVBQESA-N 367.327 2.595 0 50 FFAA CC(C)n1cnc(C(=O)N[C@@H]2CCCN(C(=O)C3CC4(CC4)C3)[C@H]2C)c1 1875406592 HVWALKLHLDZLMN-GOEBONIOSA-N 358.486 2.764 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1078769 QFZFUZSNNMCOLI-UHFFFAOYSA-N 367.405 2.754 0 50 FFAA O=C(CC12CC(C1)C2)NCC[C@H](NC(=O)CC12CC(C1)C2)C(F)(F)F 2325776121 OYYPEVLZTVDVKR-FBXIQOIYSA-N 358.404 2.920 0 50 FFAA Cn1ccc(Nc2ccc(C(=O)Nc3cc(C4CCNCC4)[nH]n3)cc2)n1 2325795296 XLHXGEMLAPSCDO-UHFFFAOYSA-N 365.441 2.606 0 50 FFAA NCCC[C@H](N=c1[nH]ccn2ncc(Br)c12)c1ccccc1 2325800039 JIBUCOYTZYRQTR-AWEZNQCLSA-N 360.259 2.806 0 50 FFAA Cc1nc(-c2ccccc2NC(=O)c2cc(C[C@@H]3CCCCN3)on2)n[nH]1 2325857418 ATFOWGMSALQBFE-ZDUSSCGKSA-N 366.425 2.705 0 50 FFAA CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1 952708 LMNTYFKGKUFFPP-UHFFFAOYSA-N 363.435 2.766 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccccc2C)cc1 1174318 QHGINLUOLCLDCB-UHFFFAOYSA-N 358.463 2.777 0 50 FFAA CC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101717481 ZLZMHNGIPXOUOI-RPLLJCPNSA-N 355.434 2.921 0 50 FFAA CC(C)=CCN1CCN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1CCO 104402265 YSOFHABNTDTDOB-OAQYLSRUSA-N 368.525 2.922 0 50 FFAA CCc1cc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n2nc(C)c(C)c2n1 102075910 RQVSQUAOFCPMSW-HOTGVXAUSA-N 363.465 2.694 0 50 FFAA CN1CCC[C@H](CN(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 115636449 HTLVZEQQOUEHPA-IBGZPJMESA-N 358.530 2.634 0 50 FFAA COc1ccc(CCNC[C@H](O)CO[C@@H]2CCC[C@H](C)C2)cc1OC 102195697 XHPABNBFRSDROL-RYQLBKOJSA-N 351.487 2.792 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)N2CCC3(CCN(C)CC3)C2)n1 65469745 PMEFUEADGILGGO-UHFFFAOYSA-N 368.481 2.922 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)n1 64800336 GWHDHYLFMFSFSR-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA Cc1nc(-c2c(-c3ccccc3)ncn2CCSc2nnnn2C)c[nH]1 67789888 KLTOAQFLDVCTII-UHFFFAOYSA-N 366.454 2.564 0 50 FFAA Cc1cccnc1[C@@H]1CCC[C@@H](NCC2CCN(S(C)(=O)=O)CC2)C1 281388101 XUSMCJKJEFUAJM-QZTJIDSGSA-N 365.543 2.677 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(c3ccccn3)CC2)cn1 328637732 OTIJFKPEAFFXTO-AZUAARDMSA-N 355.486 2.777 0 50 FFAA Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)[C@H]3CNCCO3)CC2)c(C)c1C 215658745 CWPMELRIYYFQAC-LJQANCHMSA-N 372.509 2.638 0 50 FFAA c1coc([C@@H](Cn2ccnc2-c2cc3n(n2)CCCNC3)N2CCCC2)c1 72418561 LXLRXFHIWUPHNQ-GOSISDBHSA-N 366.469 2.670 0 50 FFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1 331972882 RWPVDEQJDJTNBK-ZWKOTPCHSA-N 364.511 2.661 0 50 FFAA Cc1ccnc(N2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 332389282 QXONDJOFZPDGNX-MRXNPFEDSA-N 359.495 2.677 0 50 FFAA NC[C@H]1CCCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 130966533 IGUIDCPDIANGCD-LLVKDONJSA-N 364.799 2.896 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)cn1 333363201 HTMAKEXMJRWJPA-GOSISDBHSA-N 372.469 2.877 0 50 FFAA Cc1ccc(C(=O)N(Cc2nccn2C)[C@@H]2CC23CCNCC3)c(F)c1 262069774 BZNVKLBNHMYQTO-QGZVFWFLSA-N 356.445 2.652 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)cc(=O)[nH]1 72431491 QDMJXLLOMLNVGJ-HNNXBMFYSA-N 367.478 2.976 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)S(=O)(=O)NCc1ccccc1 71746536 NZHXPQUDKWXEDW-UHFFFAOYSA-N 374.441 2.682 0 50 FFAA COc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](O)C3(CC3)C2)cc1 375287757 IXVYMGBZDPPGIH-GOSISDBHSA-N 351.402 2.523 0 50 FFAA CCOc1ccccc1NC(=O)N[C@@H]1CCCN(C2CCN(C)CC2)C1 72153942 WSEVOYAGFLLLEQ-MRXNPFEDSA-N 360.502 2.765 0 50 FFAA CCOc1ccc(CC(=O)N2CCCO[C@H](CN3CCCCC3)C2)cc1 221216150 OCEHOMDELFTRQJ-HXUWFJFHSA-N 360.498 2.731 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)Cc1cn(C)c2ccccc12 82115222 YVUGKAFCJWUSJE-UHFFFAOYSA-N 361.405 2.824 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1CCCO 82109110 WCYKMKKJRMAHKJ-LJQANCHMSA-N 352.425 2.552 0 50 FFAA CCOC(=O)C1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 44126718 ZRPTTXKBJVGVNN-UHFFFAOYSA-N 354.491 2.909 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1 426677351 CGKMRTARQOMMBO-GOSISDBHSA-N 359.514 2.995 0 50 FFAA CCc1nnc(CN(C(=O)Nc2cccc(Cn3cncn3)c2)C(C)C)o1 426737332 DDSXATBHGDAYQO-UHFFFAOYSA-N 369.429 2.714 0 50 FFAA O=c1[nH]ccnc1N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 97575073 OUOLNQPVRKHVMT-UHFFFAOYSA-N 352.463 2.821 0 50 FFAA CCCc1nc(C)cc(N2CCC(NC[C@H](O)c3ccc(O)cc3)CC2)n1 95512128 SCLMIMBSVXPJMH-IBGZPJMESA-N 370.497 2.735 0 50 FFAA CC(C)N1CCC[C@H](C(=O)NCCc2csc(-c3ccncc3)n2)C1 95509137 LIKYRVIAFOEFOI-INIZCTEOSA-N 358.511 2.984 0 50 FFAA FC(F)(F)c1ccc(N2CCC(NCCc3cnccn3)CC2)nc1 95377314 CQSJVNFZWCKCLJ-UHFFFAOYSA-N 351.376 2.692 0 50 FFAA COCCCN1CC2(CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1=O 95392083 OGONAKZPAKFORE-UHFFFAOYSA-N 371.403 2.956 0 50 FFAA CCOCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 91645391 HNQWTSAQTDBPDO-SFHVURJKSA-N 358.482 2.668 0 50 FFAA O=C(COc1cccc(F)c1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 91645256 SZKJWMZZDDRCIK-NRFANRHFSA-N 374.456 2.846 0 50 FFAA COCCC[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2OC)C1 92003405 VPXUMHOSPMZADA-GOSISDBHSA-N 355.862 2.990 0 50 FFAA Cc1cc(-n2cnnn2)cc(NC(=O)N(C)Cc2cc(C3CC3)[nH]n2)c1C 96149859 ZNMUQYXEKICCKU-UHFFFAOYSA-N 366.429 2.544 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)[C@H]3CC(=O)OC34CCCC4)c2n1 97660438 VSJUEFRJKXTNKJ-MRXNPFEDSA-N 368.433 2.914 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cnc(C4CC4)nc3)CC2)oc1C 294757049 XUSDWODNNJKRLO-UHFFFAOYSA-N 369.469 2.601 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1c[nH]nc1-c1ccccc1F 97730147 YLHNJRLCPRDWHL-UHFFFAOYSA-N 354.385 2.900 0 50 FFAA Cc1n[nH]c(C2CCN(CC(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)n1 252481958 CVYZFODWNNGVGD-NSHDSACASA-N 374.514 2.513 0 50 FFAA Oc1nc(CN2CCC([C@@H](O)c3ccccn3)CC2)nc2ccsc12 253536688 KQKPDQQXYWLNCI-MRXNPFEDSA-N 356.451 2.738 0 50 FFAA Cc1cccc(-c2noc([C@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)c1 299756878 JPTTUXSMUPJLOW-AWEZNQCLSA-N 351.410 2.899 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cccc(-c2nnc(C)[nH]2)c1 299769150 KBECNRTXBJGWSA-MRXNPFEDSA-N 370.457 2.645 0 50 FFAA CCc1nccn1CCC(=O)NC[C@H]1CCCN(Cc2ccc(C)o2)C1 823557456 QSUNJADNVSIYGM-QGZVFWFLSA-N 358.486 2.765 0 50 FFAA O=C(CCc1ccccc1)N[C@H]1COCC[C@@H]1Oc1ccc(C(=O)O)cc1 1565516650 SQKMQLBQFNIUGI-OALUTQOASA-N 369.417 2.670 0 50 FFAA CCOC(=O)c1ncsc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 170617599 MELBEXNLWQPEMP-JTQLQIEISA-N 363.370 2.523 0 50 FFAA CCN1CCN(C(=O)c2ccc(OC)c(-c3ccccn3)c2)C(C)(C)C1=O 188184841 XKVDVHAVVMLXQU-UHFFFAOYSA-N 367.449 2.840 0 50 FFAA C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCCc1ccc(Cl)cc1 188296286 GSQAUZICWJUAST-HNNXBMFYSA-N 367.921 2.759 0 50 FFAA Cc1nccc(N2CCN(C(=O)C3(Cc4ccccc4F)CC3)CC2)n1 188584331 SULDVBFFCLAKOX-UHFFFAOYSA-N 354.429 2.596 0 50 FFAA O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1nc(-c2cccs2)n[nH]1 729519851 DLSPZQBVLPAXNE-UHFFFAOYSA-N 367.434 2.989 0 50 FFAA Cc1ccc(NC(=O)CSc2nnc(N)s2)c(Br)c1 1125524 HZERTWUWEIBUHO-UHFFFAOYSA-N 359.274 2.922 0 50 FFAA Cc1ccc(-c2nnc(NC(=O)CC[C@@H](C)N3CCN(C)CC3)s2)cc1 1529141859 QUJLYXDRYDZVKQ-OAHLLOKOSA-N 373.526 2.868 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529159671 XBRSUGKOYYWSOZ-QZTJIDSGSA-N 371.506 2.668 0 50 FFAA CC(C)(C)c1ccc(C(=O)CCCN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704335782 GKWQCTOMVIQPLW-OYRHEFFESA-N 373.449 2.808 0 50 FFAA O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccc[n+]([O-])c1 12385414 QNFZWHBVNNRYMR-INIZCTEOSA-N 370.359 2.591 0 50 FFAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2ccc(OC)c(OC)c2)oc1C 14954625 QQEMJYYKLMMTIG-HNNXBMFYSA-N 360.410 2.805 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCC2CCCCC2)c1=O 14977464 AHBQHILYARETME-UHFFFAOYSA-N 361.486 2.564 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)n[nH]1 15073206 UHHPNHPNTDUIJX-INIZCTEOSA-N 358.461 2.884 0 50 FFAA C/C=C(\C)CN1C[C@H](C(=O)O)C2(CCN(Cc3ccnc(CC)n3)CC2)C1 1857682511 LUWXEWPBUPJSOZ-MRBNIYHESA-N 372.513 2.604 0 50 FFAA COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 634178 HKTIXZGUJGCYDO-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA in-vitro O=C(Nc1nnc2n1CCCC2)c1cnc(-c2ccc3c(c2)OCO3)s1 162604296 WMZJCUYFTYYIJO-UHFFFAOYSA-N 369.406 2.719 0 50 FFAA CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](c1ccccc1)C(C)(F)F 1875295665 NKDXHVRIHQAECO-HIFRSBDPSA-N 374.453 2.502 0 50 FFAA CC(=O)N1C[C@@H](C(=O)N2CCC(F)(F)CC23CC3)Oc2ccccc21 1875297721 BLFURRLLUUXOFJ-HNNXBMFYSA-N 350.365 2.591 0 50 FFAA CCN(CCNC(=O)[C@@H]1CC12CCCC2)c1cc(C)nc2cc(C)nn12 1875336325 WULLAAJLLWVYTG-INIZCTEOSA-N 355.486 2.869 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 1875371292 WMRHHEKJASWNJG-IAQYHMDHSA-N 371.264 2.568 0 50 FFAA Cc1nn(C)cc1C1=NO[C@@H](C(=O)N[C@@H](C)c2ccc3ccn(C)c3c2)C1 1875308513 JQIIQYAGSPJIHQ-HXPMCKFVSA-N 365.437 2.591 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1 1875401175 SDLDBWKFXVCRDH-MJXNMMHHSA-N 369.396 2.852 0 50 FFAA CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1-c1ccc(C)cc1 1080479 DGMCMMWMQVSSRA-UHFFFAOYSA-N 364.365 2.593 0 50 FFAA Cc1cn2cc(-c3cncc(N4CCNC(C)(C)C4)n3)cc(Cl)c2n1 2325857976 WLUUBHFODPHHHQ-UHFFFAOYSA-N 356.861 2.941 0 50 FFAA COc1ccc(C(=O)NCc2ccc(-c3cc[nH]n3)cc2)c2c1CNCC2 2325858030 ZENXUKIVNIJUTI-UHFFFAOYSA-N 362.433 2.661 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)N2CCCCC2)CC1 644432 QVGPTFJVVDPZLT-UHFFFAOYSA-N 357.907 2.501 0 50 FFAA CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccco3)C2)cc1 805076 YPBMFXYFLGKMNN-INIZCTEOSA-N 361.423 2.739 0 50 FFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Br)cc1 1232469 DQBQQPZFRYBNBF-CYBMUJFWSA-N 353.216 2.982 0 50 FFAA O=C(c1ccncc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 4117597 LVXIMUGFCWLIGF-OAHLLOKOSA-N 353.275 2.722 0 50 FFAA COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 4866699 YNWQLCIFMKGOBL-OAHLLOKOSA-N 374.462 2.735 0 50 FFAA COc1cc2nc(CN3CCc4ccc(F)cc4C3)[nH]c(=O)c2cc1OC 133974377 IJDYZFICKWGQNC-UHFFFAOYSA-N 369.396 2.638 0 50 FFAA Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@H]2CC23CCNCC3)cc1 136957565 LUTVRGZRUWRYBW-MRXNPFEDSA-N 354.410 2.564 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1 22851996 AHAIDACEGBBQKG-HXUWFJFHSA-N 358.457 2.903 0 50 FFAA CCOc1ccc2oc(C)c(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1 65380903 LFAWFNDOQGEWDD-UHFFFAOYSA-N 356.422 2.882 0 50 FFAA COc1ccc(C(=O)NCCN2C(=O)Cc3ccccc32)c(OC(C)C)c1 252507713 WSPIDVLHTBPFCO-UHFFFAOYSA-N 368.433 2.802 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 11819341 GXSBEJIOLWAJIH-OAHLLOKOSA-N 352.438 2.911 0 50 FFAA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccccc4O)nc3c12 2792227 MZMZALDRTPVSJT-UHFFFAOYSA-N 353.407 2.722 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1noc2c1CCCC2 216169404 JLRSPGCTDHKRLD-HNNXBMFYSA-N 357.458 2.566 0 50 FFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CCc1nnc(C2CCCCC2)o1 12458242 WMPORFYBMRSVQN-HNNXBMFYSA-N 363.458 2.994 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(CCc2ccccc2F)CC1 328655844 YVBBUVAVHYGDNK-KRWDZBQOSA-N 357.477 2.727 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc1Cl 36078817 YUGOLLBPPOKDAK-CYBMUJFWSA-N 358.847 2.523 0 50 FFAA CC[C@@]1(O)CCN(C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]1O 72419854 ZHHULQZYYGBMND-IFMALSPDSA-N 369.461 2.542 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cn3ccccc3n2)n1C 328631337 KINISBQCTTXQGY-QGZVFWFLSA-N 351.454 2.760 0 50 FFAA C[C@@H]1CS(=O)(=O)CCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 172560620 SNFRABPIFKLSJH-SNVBAGLBSA-N 370.883 2.723 0 50 FFAA COc1ccc2cc(C(=O)NCCC(=O)NC3CCCCC3)n(C)c2c1 215992761 MNPOKVCDLXTKQU-UHFFFAOYSA-N 357.454 2.756 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCCN1CCc3ccccc31)C2 216098482 MYJUCXBKNJHKJN-SFHVURJKSA-N 366.461 2.815 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccncc1 215272153 OGFZCPWKPMSVBX-IBGZPJMESA-N 351.410 2.516 0 50 FFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCc3ncc[nH]3)cnc21 77284784 AJUOVMVNRIIGIH-UHFFFAOYSA-N 366.812 2.942 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 378564578 IQQFHJWQHILNFD-OAHLLOKOSA-N 354.414 2.864 0 50 FFAA CCCOc1c(CN2CCC[C@@](O)(CO)CC2)cc(Cl)cc1OC 216361940 FEAHAKXPGKLPNQ-SFHVURJKSA-N 357.878 2.847 0 50 FFAA COc1ccccc1OC1CCN(C(=O)CN(C)Cc2ccncc2)CC1 77406939 KUHNWWHSSTZVCE-UHFFFAOYSA-N 369.465 2.592 0 50 FFAA O=C(Nc1cnccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 284895732 SUFMHDCFCVDINF-ZIAGYGMSSA-N 350.344 2.726 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N[C@@H](Cn1ccnc1)c1ccccc1 223530645 ZABVRMGORWNDBA-IBGZPJMESA-N 372.428 2.756 0 50 FFAA Cc1c(C(=O)N(C)[C@@H]2CCNC2)cnn1-c1cccc(C(F)(F)F)c1 179100182 QYEGDIQDJXBHGF-CQSZACIVSA-N 352.360 2.633 0 50 FFAA CN1CCN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@@H]1c1nccn1C 291669233 GCLHYGBRWGLSGD-GOSISDBHSA-N 371.460 2.635 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)n1 289150615 QFBGHTWRZMGOCM-CYBMUJFWSA-N 350.369 2.526 0 50 FFAA Cc1cc(=O)[nH]c(NCCNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 220268151 NDHCUWDZJODNNM-UHFFFAOYSA-N 362.433 2.516 0 50 FFAA c1ccc2c(c1)CC[C@@H](N1CCN(Cc3nc(CC4CC4)no3)CC1)C2 19219548 IFGPNICSHITZKL-LJQANCHMSA-N 352.482 2.697 0 50 FFAA COc1cc(OC)cc(S(=O)(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 178421074 LECVJYPETPGFSR-HNNXBMFYSA-N 368.480 2.898 0 50 FFAA CSCCN1CCC(NC(=O)c2cccc(-c3c[nH]ccc3=N)c2)CC1 426563222 HUOUKUXMDZTEKJ-UHFFFAOYSA-N 370.522 2.718 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)c1ccc(-c2cc(F)ccc2O)cc1 426730293 CYNKKTVSBANJSW-GOSISDBHSA-N 372.440 2.775 0 50 FFAA Cc1nc([C@@H](C)NC(=O)N2CCN(C3CCCCC3)C(=O)C2)cs1 426358208 GBDZWGPGBUWZEI-GFCCVEGCSA-N 350.488 2.699 0 50 FFAA NC(=O)CN1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 95507441 VQGJSJXZLAHHIP-UHFFFAOYSA-N 371.412 2.754 0 50 FFAA Cc1cnc(N2CCC[C@H](CS(C)(=O)=O)C2)nc1-c1ccccc1F 293120070 QXJOMZCGKVFROX-AWEZNQCLSA-N 363.458 2.852 0 50 FFAA CC(C)S(=O)(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95372910 QWWQOCLHDPHFJX-BMGDILEWSA-N 370.465 2.565 0 50 FFAA CN(C)C(=O)c1cc2c(s1)CCN(C(=O)c1cccc3nccnc13)C2 97334260 PDYRUUPIUDVGSS-UHFFFAOYSA-N 366.446 2.592 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)N(C)Cc3cnccn3)CC2=O)cc1 91519236 ZKRXGGLGSNZGCP-INIZCTEOSA-N 352.438 2.612 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(-c3cccc(F)c3)nc1)CC2 92077808 NHPBJYJHVYWSFR-MOPGFXCFSA-N 370.424 2.890 0 50 FFAA Cc1c[nH]c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c(C)c1=O 95388697 XIOYMQICRZKRJN-IEBWSBKVSA-N 365.477 2.728 0 50 FFAA CN(CCCOc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 91575094 YFAVJTPXRXGXRB-CYBMUJFWSA-N 350.846 2.578 0 50 FFAA CCN1CC2(CCN(C3CCNCC3)CC2)C[C@@H](c2ccccc2)C1=O 91713776 AKCXYBXXIMWXKJ-FQEVSTJZSA-N 355.526 2.857 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 95390580 DPBQCKXZCXQADA-MRXNPFEDSA-N 373.416 2.669 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3CO)o2)cc1 96149393 AXDVRXJRWRFYHT-MRXNPFEDSA-N 358.438 2.532 0 50 FFAA CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239231212 VDJAQCCFKHDKBN-DRMAHVMPSA-N 361.825 2.970 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95506094 JUVPSSAAZXFUTC-MRXNPFEDSA-N 365.412 2.880 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NCc1cccc(C(=O)N(C)C)c1)N(C)C 95521875 FFVVBBVFBYNGAC-IBGZPJMESA-N 353.466 2.616 0 50 FFAA Cc1cc(F)ccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 91305802 ZGKHPXBNLLEXCE-MAUKXSAKSA-N 367.424 2.906 0 50 FFAA CCN(CCN1C[C@H]2CC[C@@H]1C2)CCS(=O)(=O)c1ccc(C)cc1 240203857 JUGMJMIBHKSKFF-ZWKOTPCHSA-N 350.528 2.575 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 245226832 NQQTUEFYXYDZMJ-JROKTQBJSA-N 351.402 2.845 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@@H](C(=O)c2ccccc2)C1 252485617 HAIKQSAZAALHPQ-LJQANCHMSA-N 366.461 2.906 0 50 FFAA CN1CCN([C@@H]2CCN(C(=O)NCc3cc(Cl)ccc3Cl)C2)CC1 534587787 JSXCQOUNKZXXSE-OAHLLOKOSA-N 371.312 2.525 0 50 FFAA COc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)cc1F 263619585 ZKMUJFHPMTXKLO-QGZVFWFLSA-N 368.368 2.950 0 50 FFAA O=C1C[C@H](NCc2ccc3nonc3c2)CN1CCCc1ccccc1 55212119 SSKAWOAMCNUHSL-KRWDZBQOSA-N 350.422 2.546 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2cccc(-c3nc(C)cnc3C)c2)CC1 299786355 JUDQSLGZWLYRFT-UHFFFAOYSA-N 368.437 2.675 0 50 FFAA Cc1cc(=O)cc(C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)o1 299756826 GHEWGVBJGZQZFT-UHFFFAOYSA-N 362.376 2.621 0 50 FFAA Cc1n[nH]c(SCCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299800667 ICIGXMOOWZVTFS-BBWFWOEESA-N 371.510 2.547 0 50 FFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)[C@@H]1COc2ccccc2O1 822535804 HCYGTLSAAKCGFP-KRWDZBQOSA-N 356.378 2.822 0 50 FFAA COC[C@H]1CCCN1S(=O)(=O)NCc1sc2ccccc2c1Cl 670460967 RBTFATFTRJQJLZ-LLVKDONJSA-N 374.915 3.000 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc(-c3cncnc3)cc2F)CC2(CCOCC2)O1 279299889 ZBBRFUCUHRHUKS-CQSZACIVSA-N 371.412 2.693 0 50 FFAA Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1CN1CCCC1 170742203 CMLYDLINQSOVII-QGZVFWFLSA-N 355.486 2.615 0 50 FFAA Cc1nc(S(=O)(=O)Cc2ccc(Br)c(Cl)c2)n[nH]1 1323531841 ARVARKRQZZSVNI-UHFFFAOYSA-N 350.625 2.503 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCO[C@H](c3ccc(F)cc3)C2)CC1 1506397654 WJDFMOYKZACUCQ-FQEVSTJZSA-N 369.440 2.899 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506427833 TVNHCLIRCIREIN-UHFFFAOYSA-N 372.469 2.683 0 50 FFAA Cc1c(NC(=O)c2cnn(Cc3ccccc3)c2)c(N2CCCC2)nn1C 1506416420 GESLYKUQKXQNNE-UHFFFAOYSA-N 364.453 2.826 0 50 FFAA Cc1noc2nc3c(c(C(=O)Nc4c5c(nn4C)CSC5)c12)CCC3 1529158621 GYIPOAMKBHYBRJ-UHFFFAOYSA-N 355.423 2.753 0 50 FFAA CCOc1ccc(-c2nc3s/c(=C\c4cccs4)c(=O)n3n2)cc1 1154714 FQTHRJFKBPHRBY-UVTDQMKNSA-N 355.444 2.826 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)cc1OC 1704343190 AGYCFVNEEQIUCE-MSOLQXFVSA-N 369.483 2.674 0 50 FFAA CC(=O)c1cnc(N2CCC(C(=O)NCCc3ccccc3)CC2)nc1C 1704330021 SYJUFMOSPDAEEE-UHFFFAOYSA-N 366.465 2.563 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccoc4)CC[C@@H]32)o1 216868615 YRXAYVPGQJPBJF-QAPCUYQASA-N 356.422 2.877 0 50 FFAA O=C1OC[C@H](COC(=O)c2cc3cncc(Br)c3s2)O1 1875295549 JKOVASSLVQMZEX-ZETCQYMHSA-N 358.169 2.751 0 50 FFAA O=S(=O)(CCN1CCC(Cc2ccc(O)nc2)CC1)c1ccccc1 1772810055 IDEPSEKBSQZMKJ-UHFFFAOYSA-N 360.479 2.516 0 50 FFAA CN(C(=O)/C=C/c1cnn(C)c1)[C@H]1CCCN(CCc2ccccc2)C1 11707177 WZGADGYMYPJTNS-CFGKVWFZSA-N 352.482 2.599 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCCC2)c1=O 11972846 XSZRQRLXASCHGZ-UHFFFAOYSA-N 361.486 2.707 0 50 FFAA O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCC1 13005731 YCQWFEMFESOJJC-UHFFFAOYSA-N 356.875 2.751 0 50 FFAA CN(C)CCN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 14979193 AZVPYRMBMKVPGC-GOSISDBHSA-N 354.450 2.957 0 50 FFAA CN(C(=O)CCc1cnn(C)c1)[C@H]1CCCN(Cc2ccccc2F)C1 14981577 LYIYRNSZPPLQJU-SFHVURJKSA-N 358.461 2.615 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(Cc3ccncc3)C2)cc1 15072804 ATKAHYYAWUDIMT-IBGZPJMESA-N 353.466 2.661 0 50 FFAA C[C@H](CC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 119456712 HALJYALYHSRSSJ-VQIMIIECSA-N 372.490 2.791 0 50 FFAA C[C@H]1CCc2ccccc2N1CCC(=O)NCc1ccccc1OCCO 123374298 INBFJFCGUUCBGY-KRWDZBQOSA-N 368.477 2.905 0 50 FFAA CC(C)(C)[C@H]1CN(C(=O)c2cn([C@@H]3CCCNC3)nn2)c2ccccc21 333604307 QXWAJZPPLBEIGM-ZBFHGGJFSA-N 353.470 2.993 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 237436020 GGEYFAWHHXHYTM-RKDXNWHRSA-N 356.797 2.859 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CCOCC1 238103783 LPGSFIMUFIMLKY-VXGBXAGGSA-N 355.793 2.675 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 263956293 NMYDGUYNTFJNNK-DLBZAZTESA-N 353.470 2.825 0 50 FFAA CCn1cnnc1C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 264481925 XYEFZNQFPJCRHX-LJQANCHMSA-N 367.497 2.669 0 50 FFAA Cn1nccc1C1CCN(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 265666509 FAQUJVRWFWDRPK-UHFFFAOYSA-N 361.833 2.584 0 50 FFAA C[C@](O)(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2C=CC=NC2=O)no1 903385810 MWQHHKNDYCHFKK-NHYWBVRUSA-N 351.284 2.595 0 50 FFAA CO[C@@](C)(C(=O)O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 852952175 UOOBJKWBDFXTHJ-HXUWFJFHSA-N 362.470 2.559 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 869311039 BMMOXOYEJDLIOJ-GOSISDBHSA-N 371.481 2.527 0 50 FFAA O=C(NC[C@@H](CO)C1CC1)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1875260503 DBHMIBHSOPTAEE-NSHDSACASA-N 353.344 2.844 0 50 FFAA C=CC(=O)NC1CC2(CCCCN2C(=O)COc2cc(C)ccc2F)C1 1875383037 DBYBUOIPANRTDE-UHFFFAOYSA-N 360.429 2.729 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)CC1 1875370519 RSJSKXMNRHAWIW-SFHVURJKSA-N 369.509 2.765 0 50 FFAA CC(C)n1cnc(C(=O)N[C@H]2CCCN(C(=O)C3CC4(CC4)C3)[C@H]2C)c1 1875406593 HVWALKLHLDZLMN-HOCLYGCPSA-N 358.486 2.764 0 50 FFAA CCOC(=O)[C@@H](N)Cc1cc(Br)sc1Br 1772717298 QBSSVPOZMCTXMD-LURJTMIESA-N 357.067 2.706 0 50 FFAA CO[C@H](CNS(=O)(=O)c1cc(Br)sc1C)C(C)C 331110326 KRRAMEWPBAPOJN-SECBINFHSA-N 356.307 2.768 0 50 FFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(Br)c2)C1 379251978 CNSDBENDYXUZTF-WDEREUQCSA-N 351.166 2.943 0 50 FFAA O=c1[nH]c2ccc(S(=O)(=O)Nc3cnc4ccccc4c3)cc2s1 1424459 DSRXMMGQYIZWLS-UHFFFAOYSA-N 357.416 2.939 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@H]1C[C@H](C(F)(F)F)CO1 2325813437 SFFSXEWTKRXGKZ-LSDHHAIUSA-N 353.344 2.515 0 50 FFAA Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)c3ccccc3)nnc12 653348 BITGNFVVTHAJAH-UHFFFAOYSA-N 350.403 2.901 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 983201 MBWOKHWGDXZVFT-ZDUSSCGKSA-N 366.870 2.632 0 50 FFAA CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 2848522 OFOXEZBFMXPYHP-UHFFFAOYSA-N 364.492 2.809 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 2961533 XGURFJIIYKDMNS-UHFFFAOYSA-N 362.813 2.655 0 50 FFAA COc1cc(CNCc2ccccn2)ccc1OCC(=O)NC(C)(C)C 4622037 FCEOVXXQOUHGLV-UHFFFAOYSA-N 357.454 2.674 0 50 FFAA CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 4844512 PCFWSHJPBJSMIK-GOSISDBHSA-N 354.406 2.947 0 50 FFAA O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)C1CC1 8997230 IUCBIZRVOUIUQN-UHFFFAOYSA-N 365.480 2.819 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1C 246005443 SHWSKJKLDZKNMZ-CVEARBPZSA-N 351.468 2.916 0 50 FFAA COC(=O)C[C@@H]1Oc2ccccc2N(CCOCc2ccccc2)C1=O 55281445 YFYYSXRGFZXAJD-SFHVURJKSA-N 355.390 2.561 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CCCN1C(=O)c1cccs1 246743509 OIFWVMNNBATBDS-XJNFMUPTSA-N 374.506 2.817 0 50 FFAA CCN(Cc1ccc(C(=O)Nc2ncns2)cc1)Cc1noc(C)n1 65528929 CQMIQAWRZCSQRJ-UHFFFAOYSA-N 358.427 2.504 0 50 FFAA Nc1ccnc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)c1 67605228 IVYWZNXFXWIHKJ-FBBABVLZSA-N 351.450 2.956 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@@H]1c1nc(-c2ccncc2)no1 65396460 AQRLAZUXBMSQFW-MRXNPFEDSA-N 355.442 2.671 0 50 FFAA C[C@H](CCn1cccn1)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72409758 VADJYDBMVAWJML-QGZVFWFLSA-N 354.502 2.932 0 50 FFAA Cc1c(CN(C)C(=O)c2cc(CN3CCOCC3)on2)[nH]c2ccccc12 67847774 ZLKAYZZCPDIRHM-UHFFFAOYSA-N 368.437 2.569 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H]2c2nonc2C)c1 67935439 ICRDHIGLFQMPHA-OAHLLOKOSA-N 353.382 2.754 0 50 FFAA COc1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)n1 20452790 OUHJRSHBFGBIOJ-UHFFFAOYSA-N 364.449 2.953 0 50 FFAA CCn1c(CC2CCN(Cc3ccc([C@@H]4CCCCO4)o3)CC2)n[nH]c1=O 65452436 JGOJQRQKKNKVOD-KRWDZBQOSA-N 374.485 2.881 0 50 FFAA CCC(=O)c1ccc(OCC(=O)Nc2ccc(NC(=O)COC)cc2)cc1 27979317 KLLJDLGWKUFRLY-UHFFFAOYSA-N 370.405 2.882 0 50 FFAA CNc1ncccc1CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 65396757 QRSVOYJMLYJKLE-UHFFFAOYSA-N 360.465 2.903 0 50 FFAA CCN(Cc1ccc(-c2nc3ccccc3n2C)o1)[C@H]1CCS(=O)(=O)C1 67446642 WYFLJAMGZDKQNU-AWEZNQCLSA-N 373.478 2.842 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc3cccnc3c2O)CC1)N1CCOCC1 72428526 OILZPTRDFYZIKI-HNNXBMFYSA-N 369.465 2.513 0 50 FFAA CCSc1nc2ncc3c(=O)n(-c4ccc(F)c(F)c4)ccc3n2n1 38783745 JTEOVRPQVKVQPX-UHFFFAOYSA-N 359.361 2.819 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 71747744 DAFATCLAEJXTQI-MRXNPFEDSA-N 362.437 2.818 0 50 FFAA CNC(=O)c1cccnc1N[C@H]1CCCN(CCCc2ccccc2)C1 72434460 RZPOFAJGXGYPOT-SFHVURJKSA-N 352.482 2.950 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCCCc1csc(N)n1 219919600 BATOYGPFVJKQNT-UHFFFAOYSA-N 356.451 2.980 0 50 FFAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 154406392 PAJLNPCPSWOMAU-KRWDZBQOSA-N 373.478 2.795 0 50 FFAA CCOc1ccccc1-n1ccc2c(cnc3nc(SCC)nn32)c1=O 38783720 IPPUDOMKRNDRTD-UHFFFAOYSA-N 367.434 2.939 0 50 FFAA Cc1nnnn1-c1cccc(C(=O)N(C)Cc2cccc3cnccc23)c1 77488012 FLJOHEUPPHFLIL-UHFFFAOYSA-N 358.405 2.791 0 50 FFAA CN(C)CCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77355681 SUVAIOJRKAPHAQ-UHFFFAOYSA-N 371.872 2.922 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccoc1C1(O)CCOCC1 373945498 IKUHOJJNJJLDPA-OAHLLOKOSA-N 363.454 2.889 0 50 FFAA COc1nnc(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)s1 374637508 OBLCEWRQCRTINX-UHFFFAOYSA-N 373.438 3.408 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nc[nH]n2)cc1F 375734986 YNJNERUSPFMBBV-UHFFFAOYSA-N 366.349 2.559 0 50 FFAA Cc1csc(NC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1 378556003 ZAXVHWUCWVMWGJ-CYBMUJFWSA-N 372.429 2.986 0 50 FFAA CCN1CC2(CCN(C(=O)c3ccccc3-c3nccn3C)CC2)OC1=O 77485890 QGEXKOSESAGJAE-UHFFFAOYSA-N 368.437 2.534 0 50 FFAA NCC[C@@H]1CN(C(=O)c2ccc(-c3cc(F)c(F)cc3O)cc2)CCO1 426673963 BGLQEBUGACMONO-CQSZACIVSA-N 362.376 2.527 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)N1CCN(C)CC1 82108609 CDZNTFTZDSYLCT-INIZCTEOSA-N 354.498 2.656 0 50 FFAA COCCCn1cnnc1CNC(=O)c1cccc(-c2ccncc2C)c1 426667652 UBLLQAMEANESFD-UHFFFAOYSA-N 365.437 2.615 0 50 FFAA Cc1ccccc1[C@@H](NC(=O)NC1(C(N)=O)CCCC1)c1ccncc1 426359116 SRSQVXWIVGIRHA-KRWDZBQOSA-N 352.438 2.577 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4c(c3)CCC4=O)c2)C1 426584574 CQSCZILWIIFWGC-GOSISDBHSA-N 362.429 2.820 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2ccn(CCO)n2)C1 426438857 LRYQTOSACIMKKS-INIZCTEOSA-N 366.421 2.550 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2ccc(-c3cccc(OC)n3)cc2)CC1=O 426590012 QRKIOIMDPPPQPW-HNNXBMFYSA-N 367.449 2.698 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 426598996 PSXKMTKMVXTTSQ-LLVKDONJSA-N 366.767 2.548 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCC(n2cc(C3CC3)nn2)CC1 48090848 LNDHCCSYPXTCMT-UHFFFAOYSA-N 356.474 2.973 0 50 FFAA CNC(=O)C(C)(C)N(C)C(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1 426506870 VMCTWGFSCWBQSW-UHFFFAOYSA-N 368.433 2.737 0 50 FFAA O=C(NCc1ccc(-c2ccccc2)cc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 426425527 YWCYXLCGYAGXSZ-UJOPUZHASA-N 366.461 2.627 0 50 FFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc(C)n1 95507229 MPFBQTZLLOWFHZ-WMLDXEAASA-N 371.510 2.821 0 50 FFAA COc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)n3)C2=O)cc1OC 96299682 ZMBSHGOYTONAQH-HNNXBMFYSA-N 373.434 2.535 0 50 FFAA Cc1nnc(SCCCNC(=O)Nc2ccc3c(c2)C(=O)OC3)s1 96149181 RTULZTVZNQVYIK-UHFFFAOYSA-N 364.452 2.821 0 50 FFAA Cc1ccc(F)c(-c2ccc(C(=O)N3CCN(CCCO)CC3)cc2)c1 426662418 YWZGFDNZCIEASD-UHFFFAOYSA-N 356.441 2.941 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c(C)o1 91645394 MNFVKHQRSZCLIY-LSDHHAIUSA-N 357.362 2.566 0 50 FFAA CCc1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)cs1 95513112 PTPAYVQXTYSXTC-SWLSCSKDSA-N 362.524 2.785 0 50 FFAA CCc1cc(N2CCC(NCCCc3c(C)n[nH]c3C)CC2)nc(C)n1 95525319 IDCFFHDJFKNPIE-UHFFFAOYSA-N 356.518 2.879 0 50 FFAA O=C(C1CCCC1)N1CCC(C(=O)N2CC(Oc3ccccc3)C2)CC1 95382003 LVFUMPRDZGQMLG-UHFFFAOYSA-N 356.466 2.705 0 50 FFAA Cc1ccc([C@H](NC(=O)C2CCN(CCO)CC2)c2cccnc2)cc1C 97675279 KPMIJEBNRKXZLR-NRFANRHFSA-N 367.493 2.608 0 50 FFAA CCCc1cc(C(=O)N2CC[C@@]3(CCCN(CCOC)C3=O)C2)cs1 91468269 AAMTYIGGNAGDEI-IBGZPJMESA-N 364.511 2.802 0 50 FFAA O=C([C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC1 91713405 YRCPGVWUOVDIIQ-FQEVSTJZSA-N 367.537 2.563 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ncoc1CC)CC2 91621350 HRFLQTAVMBAODN-UHFFFAOYSA-N 371.485 2.750 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)C1CCN(C(=O)C2CCC2)CC1 91656980 YHGCCPCTMXZPIS-IBGZPJMESA-N 358.482 2.607 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCCCSc3ccccc3)nn2)CC1 247706476 FGMFXICKHNZKRJ-GASCZTMLSA-N 359.499 2.633 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 243956922 CEJPPCJELMZXSQ-XQBPLPMBSA-N 366.461 2.509 0 50 FFAA COCCn1c([C@@H](C)NC(=O)CCCn2cccn2)nc2ccccc21 252497071 PYGKHOLMCOTQPU-OAHLLOKOSA-N 355.442 2.537 0 50 FFAA C[C@@H](O)c1cccc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)n1 534632438 AHUSJCWEHRCKNZ-OAHLLOKOSA-N 367.449 2.544 0 50 FFAA COCCn1cnnc1[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1C 299774583 HJBGLNIJHVBJKK-NSHDSACASA-N 356.348 2.743 0 50 FFAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cccc(-n2cnnc2)c1 299766724 GXRAWQPDKQUHBH-MRXNPFEDSA-N 353.470 2.652 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CC1=CSC2=NCCCN12 299771500 PLQHLGBDRPNUHX-KRWDZBQOSA-N 370.522 2.542 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)Nc1cccc(-c2nnc(C)[nH]2)c1 299799131 PSELGTVLDBVSNJ-NSHDSACASA-N 354.418 2.664 0 50 FFAA O=C(c1cc2c(s1)CCCCC2)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299756704 DSICIEHDYZWXJE-GJZGRUSLSA-N 358.467 2.595 0 50 FFAA C[C@@H](NC(=O)N1CCN(Cc2nc[nH]n2)CC1)c1cccc2ccccc12 827948510 ZGGUMCDTCSEPNW-OAHLLOKOSA-N 364.453 2.546 0 50 FFAA CCc1noc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3F)no2)n1 823569475 OLWJULMDCLCRCY-SNVBAGLBSA-N 359.361 2.631 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)Cc2cc(C)no2)cc1 1565509176 RJZITBITACPXKC-MSOLQXFVSA-N 369.465 2.657 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)n2)cc1 268950817 SUWQTTWPQCYDOG-XWIAVFTESA-N 369.421 2.739 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H](C(C)C)N2CCCCC2)sc1C 408477436 AQBLJKPPLAEBTG-OAHLLOKOSA-N 358.529 2.680 0 50 FFAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccncc1F 191925064 DFQXKRPUXCBPDE-MRXNPFEDSA-N 358.417 2.633 0 50 FFAA C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(-c2n[nH]c(CN)n2)cc1 193340289 PSOXCAUQDXRNLD-CYBMUJFWSA-N 357.458 2.997 0 50 FFAA CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704350767 OLCVYSTXVLJHSN-FGYAAKKASA-N 372.509 2.669 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)CCc2nnc(CCc3ccccc3)o2)C1 11841880 YNEUUMJPSTWYAI-GOSISDBHSA-N 370.497 2.730 0 50 FFAA CCOC(=O)c1cnn(-c2cccc(C)c2C)c1CN1CCC[C@H](O)C1 11870883 BFWJFGAOSOIHGM-INIZCTEOSA-N 357.454 2.623 0 50 FFAA CC(C)n1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cn1 11879276 DBGQIJUHGJEXBZ-HNNXBMFYSA-N 360.845 2.648 0 50 FFAA OCCN(Cc1nc(-c2cnccn2)no1)CC12CC3CC(CC(C3)C1)C2 12073950 BZZTZTYIKAUPDZ-UHFFFAOYSA-N 369.469 2.537 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)no1 12076070 FELDFLMGNUOQHC-MRXNPFEDSA-N 357.454 2.994 0 50 FFAA COc1cccc(CNCC[C@H]2CCC(=O)N2CCN2CCCCC2)c1 15002318 FTTVNDOWWQXBBX-LJQANCHMSA-N 359.514 2.652 0 50 FFAA CO[C@H]1C[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)N(c2ccncn2)C1 1857533115 ODGUOONTLQKAHG-OALUTQOASA-N 368.481 2.699 0 50 FFAA COCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857695531 NHVJQYJTJKZGQH-IBGZPJMESA-N 360.498 2.731 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3[C@H]3CCNC[C@@H]3O)s2)c1 1857696775 CIUZHSILNUFNPZ-GJZGRUSLSA-N 356.451 2.578 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(CCCn2cccn2)C1 1857730651 YDOXGOXEOMQXCM-FQEVSTJZSA-N 353.470 2.626 0 50 FFAA COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 2386611 BRMSLIYSWUEHJT-AWEZNQCLSA-N 351.399 2.576 0 50 FFAA in-vitro COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1 781590 AJCKWNSXFRBQSE-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA in-vitro CN([C@H]1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccs1 111353526 XSOJYWHHUFZRDV-ZDUSSCGKSA-N 370.883 2.828 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@H](N)C[C@@H]1C 237122013 KBYORIZBMXVTTK-FZMZJTMJSA-N 355.276 2.729 0 50 FFAA C[C@]1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)NC1=O 14992783 CXKCZJIPRJQBOB-HXUWFJFHSA-N 353.422 2.757 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccccc1F 247798902 DVDCKFJVSLVVRE-WBVHZDCISA-N 367.424 2.526 0 50 FFAA COc1ccc(-c2cncc(C(=O)N3CC[C@](O)(C(F)(F)F)C3)c2)cc1 135829910 URQRVJJXILGSCY-QGZVFWFLSA-N 366.339 2.897 0 50 FFAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@]12CCOc1ccccc12 263358892 STXMUYYATZBMMN-JLMWRMLUSA-N 363.413 2.937 0 50 FFAA C=CC(=O)N1CCC[C@H](c2nn(-c3ccccc3)cc2C(=O)NCC)C1 823128845 SBYVKEHUWOOOBI-HNNXBMFYSA-N 352.438 2.514 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 861269337 KTOBUJGNYSEVTB-KRWDZBQOSA-N 370.428 2.914 0 50 FFAA Cc1ccc2[nH]c(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)c(C)c2c1 952889067 RGVJGQSPKNBDFY-CZUORRHYSA-N 353.426 2.548 0 50 FFAA O=C1NCCCc2sc(C(=O)N3CC[C@@H](c4ccc(O)cc4)C3)cc21 1875295603 KUQPGUQZCMANCA-CYBMUJFWSA-N 356.447 2.759 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cn(CC(F)(F)F)cn2)cc1 1875373934 VACXVNMQAMUJLD-UHFFFAOYSA-N 352.316 2.847 0 50 FFAA COC(=O)[C@@]1(F)CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@@H]1C1CC1 1875379599 ZARDULLPXDTIPR-MEBBXXQBSA-N 361.200 2.752 0 50 FFAA O=C(N[C@@H]1CCC[C@H](C(=O)O)C1)c1sc(N2CCCC2)nc1Cl 1875323380 GJDPGZLZPHTEGW-VHSXEESVSA-N 357.863 2.770 0 50 FFAA Cc1cn2ccnc(C(=O)Nc3ccnc(C(=O)OC(C)(C)C)c3)c2n1 898617917 XKXOHZKDBFWKBX-UHFFFAOYSA-N 353.382 2.640 0 50 FFAA COc1ccc2c(c1)sc1nc(=O)n(-c3cccc(Cl)c3)c(=O)n12 986341 WZXVKFIBUSGTCO-UHFFFAOYSA-N 359.794 2.722 0 50 FFAA COC(=O)[C@@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 4690214 QGDYXHPDNYGFNS-INIZCTEOSA-N 355.419 2.686 0 50 FFAA C[C@@H]1CCCN(S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)[C@@H]1C 6667985 UNIPWKATAROMKT-NXEZZACHSA-N 358.847 2.594 0 50 FFAA CN1C[C@](C)(C(=O)Nc2nc3cccc(Br)c3[nH]2)CCC1=O 2325791531 LNCABJJZDBCQJH-OAHLLOKOSA-N 365.231 2.522 0 50 FFAA CC[C@H](CNC(=O)Cc1ccc(F)cn1)NC(=O)C[C@@H](C)c1ccco1 2325794329 YSZMBPGEUGRATF-UKRRQHHQSA-N 361.417 2.561 0 50 FFAA N[C@@H]1CCCN(C(=O)c2cnc(NCc3coc4ccc(F)cc34)cn2)C1 2325796245 CQSBXIAAJMMKGU-CQSZACIVSA-N 369.400 2.537 0 50 FFAA Cc1cnc2n1[C@H](C(=O)N(C)Cc1ccccc1N1CCOCC1)CCC2 2325804448 PLMBFYCPTDRTQE-IBGZPJMESA-N 368.481 2.564 0 50 FFAA Cc1ccc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c2ncccc12 2325857884 SNXBBPIHUYTMGT-JOCHJYFZSA-N 374.488 2.887 0 50 FFAA O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2cccn2c(O)n1 2325859650 FIKRBDHWNMIJAF-SFHVURJKSA-N 350.422 2.607 0 50 FFAA CN(Cc1nc2ccccc2s1)C1=NC[C@@H](c2ccc(CO)cc2)N1 2325863435 JVRFTFZINWAWPW-INIZCTEOSA-N 352.463 2.921 0 50 FFAA N[C@@H](CCNC(=O)NC1CC(OCc2ccccc2)C1)Cc1ccccc1 2325866437 KZNISJVFJKMTQM-MWXLCCTBSA-N 367.493 2.994 0 50 FFAA Cc1cccc(C(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c1O 871866 FOUFSJVHYLOXQS-MRXNPFEDSA-N 365.311 2.597 0 50 FFAA O=C(Cn1cc(I)cn1)Nc1cccc(Cl)c1 1432971 KBMDYUFIIULYGN-UHFFFAOYSA-N 361.570 2.780 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@]3(CCc4c[nH]c(=N)nc43)C2)c(C)c1 2356160548 XMCZBNJXOBWRCT-HXUWFJFHSA-N 367.453 2.718 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc4ccccc4n(C)c3=O)C[C@H]21 2356164623 AGGHRLBGYZDARA-XPIZARPCSA-N 354.450 2.552 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@]34CCCN(C3CC3)C4=O)CC2)cc1 2356165591 KMKWYQJEIFWIOE-QFIPXVFZSA-N 368.477 2.873 0 50 FFAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 102821173 YFBDCZUBHQTLDK-ZSHCYNCHSA-N 354.372 2.541 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 100796018 DKMJOTIUFSZSNO-CLROSIBMSA-N 362.857 2.736 0 50 FFAA Cc1c(CNCc2ccccc2-n2cccn2)c2ccccc2n1CC(N)=O 55108703 AXDWAPKVJJTYHR-UHFFFAOYSA-N 373.460 2.911 0 50 FFAA CSc1nc2ncc(-c3ccnc(N4CCC(C)CC4)n3)c(C)n2n1 54201979 DYPYPCJDZZLAHX-UHFFFAOYSA-N 355.471 2.848 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)NCc3cnn(C)c3C)s2)cc1 55253386 AMJSPDWHJWTDLL-UHFFFAOYSA-N 372.454 2.789 0 50 FFAA CCOC(=O)N1CCN(c2cc(C)c3c(OC)ccc(OC)c3n2)CC1 23550186 MXTFVEHEHRYYTE-UHFFFAOYSA-N 359.426 2.839 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)n1 151001594 YSGPORWAGLHMHI-QGZVFWFLSA-N 359.376 2.762 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1OC 252486728 MNUWYSUXVHRORU-SPYBWZPUSA-N 362.401 2.722 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)[C@@H](c1ccc(C(=O)O)s1)CC(=O)N3 65417562 WUTUOMLDHVRENC-JTQLQIEISA-N 372.402 2.666 0 50 FFAA CCOC(=O)c1sc2ncn3nc(CCn4cc(C)cn4)nc3c2c1C 2790879 NWKAJVDUWPPKKN-UHFFFAOYSA-N 370.438 2.572 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2ccc(OC)nc2)[C@@H]1c1cnn(C)c1 328655249 YFOFQTLBTLITRJ-FXAWDEMLSA-N 357.502 2.729 0 50 FFAA CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1cnn(C(C)C)c1 77485567 XZJKIHQCVMJXGK-UHFFFAOYSA-N 363.483 2.708 0 50 FFAA CN(Cc1noc(C2CC2)n1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328634137 MNOBYFRLTJNICX-SNVBAGLBSA-N 355.364 2.857 0 50 FFAA CCC[C@H]1CN(c2nc(C)c(C)s2)C[C@@H]1NC(=O)C1CCOCC1 219598479 DBPJEKBQPITQTQ-HOTGVXAUSA-N 351.516 2.908 0 50 FFAA Cc1nc(C)n(C[C@@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)no2)n1 72408879 VDRBPYHVHLIGLI-CYBMUJFWSA-N 353.426 2.845 0 50 FFAA CCCOC[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1 72140073 FXWVAHFRIVCOBV-CQSZACIVSA-N 352.442 2.678 0 50 FFAA CCn1ccnc1CNC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 334072078 HLUBRDJHFGGRLG-ZDUSSCGKSA-N 374.407 2.794 0 50 FFAA OC[C@@H]1CN(c2cc(N3CCCC3)ncn2)C[C@H]1c1ccc(Cl)cc1 377971075 NEWYAUWSNBXVFI-RDJZCZTQSA-N 358.873 2.943 0 50 FFAA COCCN(C)c1ccc(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)cn1 374998039 ZQZUATNKSLKNRI-RTBURBONSA-N 367.497 2.718 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1cccc2ncccc12 77354571 CVXSWQNSYCRSEJ-UHFFFAOYSA-N 374.448 2.881 0 50 FFAA CSc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1 218975639 ZEXHZSJNOOSVGK-UKRRQHHQSA-N 364.492 2.969 0 50 FFAA COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c(C)c1 72446889 RJPALYXZAXUEIM-UHFFFAOYSA-N 370.457 2.627 0 50 FFAA O=C(NCc1cccc(CN2CCCC2)c1)N1CC[C@@H](CN2CCCC2)C1 174153144 FCOYEGFJFBBLAC-NRFANRHFSA-N 370.541 2.910 0 50 FFAA Cn1cccc1[C@H]1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 174392848 DWLXAHZVVKKAMK-LJQANCHMSA-N 364.449 2.990 0 50 FFAA Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220011469 LJWBKFZIQAUQBD-RWWKDMOOSA-N 367.445 2.937 0 50 FFAA NCCCOc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2ccncn2)C1 426386956 UBZXVEJARFLXKZ-CQSZACIVSA-N 374.872 2.877 0 50 FFAA CN(C)Cc1ccc(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)cc1 426518700 FNLLSGFKLHWRDF-UHFFFAOYSA-N 357.429 2.860 0 50 FFAA Cc1cccc(CC(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)c1 220592771 SBJFYZUDRAVYMM-UHFFFAOYSA-N 374.444 2.611 0 50 FFAA Cc1cc(C)c2c(CC(=O)NCc3cc4n(n3)CCNC4)coc2c1C 82147708 YTSHVYVCMQYJFC-UHFFFAOYSA-N 352.438 2.517 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccnc(-n3cnnc3)c2)cnn1-c1ccccc1 91943679 LJGDBYYDBGZLDD-CQSZACIVSA-N 373.420 2.647 0 50 FFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)N(C)C[C@@H]1CCOC1 426649777 WBANZOVFSUQKGQ-LBPRGKRZSA-N 351.397 2.975 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CCCNCC2)cc1 426730318 FKFGQVQGAJCKBW-UHFFFAOYSA-N 367.375 2.933 0 50 FFAA CN(C)[C@H](C(=O)N1CCCN(Cc2ccccn2)CC1)c1ccc(F)cc1 95361688 NIDPDJJTIROXOP-FQEVSTJZSA-N 370.472 2.558 0 50 FFAA COCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)no1 91746284 BONXQUYKWXJGCO-GOSISDBHSA-N 370.497 2.918 0 50 FFAA O=C(Cc1cc(F)cc(Cl)c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91657320 MJNUSPZWNCZDSM-HZPDHXFCSA-N 368.880 2.574 0 50 FFAA Cc1cccc(C)c1C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1 91410772 PYPVFOUFORGRLF-UHFFFAOYSA-N 358.482 2.531 0 50 FFAA CN(C)[C@H](C(=O)NCCc1nc(-c2ccccc2)no1)c1ccccc1F 95353722 ZYHAJVWGSSMUSS-SFHVURJKSA-N 368.412 2.837 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccn2C2CC2)C1 95504666 MHKAJMFJVXNBHO-KRWDZBQOSA-N 369.513 2.991 0 50 FFAA CN(C)C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 91410250 GSDIZXWKZVOCDU-GOSISDBHSA-N 355.482 2.929 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@@H](c1ccccc1F)N1CCCC1 91974076 XMWNJUKZECIXMT-IBGZPJMESA-N 359.489 2.955 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 91757403 CHMGISKDNZWSLE-OAHLLOKOSA-N 362.470 2.570 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@H]3CCCN(C4CCCC4)C3)CC2)n1 95357092 VKQDPXSWZKTFIG-KRWDZBQOSA-N 360.502 2.814 0 50 FFAA O=C(c1cc2n(n1)CCC2)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 295463799 FSRGKHOYVLCCBO-SNVBAGLBSA-N 353.348 2.591 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)c1[nH]nc(C)c1Cl)[C@H]1C[C@@H](O)C1 253393926 PXZKEPZALJIOPR-ISOBSLSZSA-N 367.808 2.761 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)C[C@H]1[C@]13O[C@@]12[C@H]1CC[C@H]3C1 257356066 FLSJOHCNSGTBJL-OGAVUFJCSA-N 362.498 2.679 0 50 FFAA N=c1cc[nH]c(-c2ccc(C(=O)N3CCCN(C4CCCC4)CC3)cc2)n1 534658725 IKSRTQHSZOMZAV-UHFFFAOYSA-N 365.481 2.647 0 50 FFAA O=C(COC[C@H]1CCCO1)NCc1cc(-c2ccc(Cl)cc2)on1 299786059 QXEZXKGFWWHFOV-OAHLLOKOSA-N 350.802 2.807 0 50 FFAA CCNC(=O)c1cccc(NC(=O)N2CCC[C@H](Cn3ccnc3)C2)c1C 299758490 LQIAUSRPDRAEDB-MRXNPFEDSA-N 369.469 2.885 0 50 FFAA CCCC[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1cccnc1 299783650 XHZUNIOWZTWRFO-AWEZNQCLSA-N 356.451 2.901 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(Cl)c2ncccc12 299767994 DRMWUQOFGFZWLB-CYBMUJFWSA-N 362.861 2.857 0 50 FFAA Cc1[nH]c(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c(C)c1C(=O)O 738153867 FMSDGOBQLSXZFY-OAHLLOKOSA-N 352.394 2.698 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1cc(C)c3nc(N)sc3c1)C2 670471192 CVGPAIZULSRFLX-CYBMUJFWSA-N 369.446 2.929 0 50 FFAA CCn1c([C@@H]2CCc3c[nH]nc3C2)nnc1N1CCC[C@H](OC2CCC2)C1 1352725233 LZDPBNLUSBITDW-PBHICJAKSA-N 370.501 2.832 0 50 FFAA Cc1ccc2oc(N[C@H]3CCN(C(=O)c4ccccc4)C[C@@H]3O)nc2c1 1565510587 VWCALJZJHVKPAJ-RDJZCZTQSA-N 351.406 2.824 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cccc4nonc34)C2)N1Cc1ccccc1 1565507328 LRXKCANJHGDFGO-MSOLQXFVSA-N 362.433 2.846 0 50 FFAA O=C(c1onc2c1CCCC2)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 1565506299 FVIQIFLAOLZMMV-SJORKVTESA-N 366.465 2.685 0 50 FFAA Cc1nnc([C@@H]2COCCN2C(=O)c2ccc(Br)cc2C)o1 275248480 BYUYPGJSBZZUFZ-ZDUSSCGKSA-N 366.215 2.663 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 276411930 KXSLIDIQFZMCQC-MRXNPFEDSA-N 359.518 2.698 0 50 FFAA CC(C)(C)n1nnnc1CN1CCN(Cc2ccc(F)cc2Cl)CC1 170596654 DGZJSZOTMDGAIH-UHFFFAOYSA-N 366.872 2.538 0 50 FFAA C[C@H](NC(=O)c1cnc2n1CCCC2)c1nc(-c2ccc(F)cc2)no1 170685963 NBTIPTCTVNYLDG-NSHDSACASA-N 355.373 2.900 0 50 FFAA CCn1c(S)nnc1CNC(=O)c1cc(Cl)c(Cl)cc1OC 170653235 COUILFJLNIOXEX-UHFFFAOYSA-N 361.254 2.832 0 50 FFAA COc1ccnc(NC2CCN(C(=O)NCC3(CC(C)C)CC3)CC2)n1 190246485 SXMVQPSQSCXKND-UHFFFAOYSA-N 361.490 2.897 0 50 FFAA O=C(COc1ccccc1-c1ccccc1)N1CCOC[C@]12CCOC2 194429334 FVRWWERAQSVWMT-OAQYLSRUSA-N 353.418 2.750 0 50 FFAA Cc1c(Cl)cccc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 194516277 PGWWZQSUGICIGS-UHFFFAOYSA-N 374.872 2.664 0 50 FFAA O[C@H]1CN(C2CCN(c3ccccc3Cl)CC2)C[C@@H]1Cc1cnccn1 1615954038 UDDJMXPLFGRVAU-YWZLYKJASA-N 372.900 2.634 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCCCc1c(C)noc1C 1506426671 IWNLJEZXGJVGOS-UHFFFAOYSA-N 352.456 2.828 0 50 FFAA OC[C@@]1(Cc2ccccc2)CN(CCCOc2ccccc2)CC[C@@H]1O 1529194612 ASYSZYZIZMYWGP-FCHUYYIVSA-N 355.478 2.744 0 50 FFAA COc1ccc(CCCC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1529192628 YSXHESXFCLYRLZ-UYAOXDASSA-N 354.450 2.787 0 50 FFAA Cc1ccc(CN2CCCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)o1 1529196072 UDNIABARGOSLDU-UHFFFAOYSA-N 356.422 2.594 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 1704344074 NTYCIBIQIQQEBT-IBGZPJMESA-N 358.438 2.641 0 50 FFAA CNC(=O)C[C@H]1CCN(c2cc(N)nc(SCc3ccccc3C)n2)C1 1704313936 SVOXTSJEEYTVEC-CQSZACIVSA-N 371.510 2.622 0 50 FFAA Cc1ccccc1[C@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@@H]1C(=O)O 219575310 YXVHUTSKHUYTLZ-MOPGFXCFSA-N 358.482 2.886 0 50 FFAA CSCCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11996690 GMHSJLFJDGZVIS-LJQANCHMSA-N 364.486 2.920 0 50 FFAA COCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 12193158 QFHKFTVQGUBDOE-NRFANRHFSA-N 374.525 2.861 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCSCC2)CN1Cc1ccc(Cl)cc1 12429660 FSANVGMOVLSLMM-CQSZACIVSA-N 352.887 2.654 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC[C@H](c2ccccc2)N1 1857671828 RYPHTAQKJWYLCZ-WOJBJXKFSA-N 363.461 2.923 0 50 FFAA NCCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857697222 KWZLVZDDTODXFJ-HXUWFJFHSA-N 373.541 2.824 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)C3Cc4ccccc4C3)CC2)O1 1857714012 HQKSLLKXYQOJHT-WOJBJXKFSA-N 357.494 2.959 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccccn3)C1)CC2 1857731215 CTKAVISLNCQRQB-OAQYLSRUSA-N 366.465 2.995 0 50 FFAA O=C(O)COc1ccccc1-c1nccn1[C@@H](CO)c1ccc(F)cc1 1857739328 IMOALQFWQHANFZ-INIZCTEOSA-N 356.353 2.734 0 50 FFAA Cc1nccn1CCCCN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328630309 JFFXNMJRNQNGHA-AZUAARDMSA-N 358.534 2.720 0 50 FFAA CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1 328655970 YWIXCQWSXYIXBO-IEBWSBKVSA-N 370.501 3.130 0 50 FFAA CCOc1ccnc(N2CCN(C(=O)c3scc(C)c3Cl)CC2)n1 332382657 HNIMVBFNQKJCLV-UHFFFAOYSA-N 366.874 2.861 0 50 FFAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 162773630 LUDUWDHCESEHSD-LRDDRELGSA-N 371.437 2.522 0 50 FFAA O=C(CN1CCOC1=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 821729486 YIBYXYUXOHGJCS-NSHDSACASA-N 370.249 2.877 0 50 FFAA CCOc1ccc([C@@H](O)C2CCN(c3ccc(C(=O)O)nn3)CC2)cc1 844212319 FPCZNDZDHPNZOS-GOSISDBHSA-N 357.410 2.524 0 50 FFAA CO[C@@H]1C[C@H](CN[C@@H]2CCCOc3ccccc32)N(c2ccncn2)C1 952886923 GIDQFGFFMJTMRE-JFIYKMOQSA-N 354.454 2.574 0 50 FFAA Cc1[nH]c2ccccc2c1[C@H](O)CNC(=O)c1ccc(NC2CC2)nc1 1875296703 KBRHEOFRZORKNQ-QGZVFWFLSA-N 350.422 2.909 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1c1nccn1C 1875282410 CLSRHBIKEGOEDV-IAGOWNOFSA-N 354.479 2.739 0 50 FFAA C=CC(=O)NC1(CC)CCN(C(=O)C(F)(F)c2ccc(F)cc2)CC1 1875386388 OZZMNMJMACIZOJ-UHFFFAOYSA-N 354.372 2.991 0 50 FFAA COC1(C(=O)N[C@H]2CC[C@H](C)N(C(=O)c3ccc4ccoc4c3)C2)CC1 1875406245 ACCSXPGDZPUSAN-BBRMVZONSA-N 356.422 2.721 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 886056863 AAHOPQWXRRFOSS-VQTJNVASSA-N 351.454 2.593 0 50 FFAA CCn1c(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)nc2c(F)cccc21 886068630 DTFZKMLOLICPPH-HNAYVOBHSA-N 357.433 2.857 0 50 FFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 1057365 FMZNRMQXABAWLU-UHFFFAOYSA-N 368.418 2.838 0 50 FFAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC[C@@H]1CCCO1 4492484 LNBRMIJBDMTZQS-KBXCAEBGSA-N 374.437 2.826 0 50 FFAA O=S(=O)(NC1CCCC1)c1cccc(-c2nc(Cc3ccno3)no2)c1 2325735978 SVDVYSOUQDUDRP-UHFFFAOYSA-N 374.422 2.536 0 50 FFAA CC[C@H](Oc1ccc(CO)cc1)c1cn(CC[C@@H]2CC(C)(C)NC2=O)nn1 2325772830 RZGMYUOPHOMSRC-QAPCUYQASA-N 372.469 2.605 0 50 FFAA C[C@H]1CN(C(=O)c2ccc3cccnc3c2)CCCN1C(=O)c1ccon1 2325871520 OTRRULHBLBKWJJ-AWEZNQCLSA-N 364.405 2.600 0 50 FFAA Cn1cc(CNc2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2)cn1 900985354 WWPQNEIISXOJKC-UHFFFAOYSA-N 364.453 2.775 0 50 FFAA CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 628548 ZIKPPXWJFRLWQN-UHFFFAOYSA-N 355.423 2.792 0 50 FFAA CCC(=O)c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 943596 SNHSRHLJXAIYJD-UHFFFAOYSA-N 351.358 2.871 0 50 FFAA O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 1602464 SSDZRWBPFCFZGB-UHFFFAOYSA-N 352.812 2.813 0 50 FFAA in-vitro CSc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 2858065 RSTFCHWFLPMMEH-UHFFFAOYSA-N 368.455 2.952 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1O 2356156564 IBEGJNJRELPQPH-LPHOPBHVSA-N 361.417 2.654 0 50 FFAA Cn1c(CNC(=O)c2ccco2)nnc1SCCOc1ccccc1 4816129 PUVXYNVNZZWUHB-UHFFFAOYSA-N 358.423 2.509 0 50 FFAA CCOc1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 10112417 STGONPSFEZUHGH-UHFFFAOYSA-N 362.451 2.695 0 50 FFAA COc1cccc(S(=O)(=O)CCN2C[C@H](C)C[C@@H]2c2cccnc2)c1 225603589 SMXXQSGCEUQKTC-DNVCBOLYSA-N 360.479 2.947 0 50 FFAA CCn1ncnc1NC(=O)c1cccc(CN(C)[C@H]2CCOC(C)(C)C2)c1 65530950 CGIRLOZADDMZFL-KRWDZBQOSA-N 371.485 2.940 0 50 FFAA CC(C)Cn1c(CN2CCC3(CC2)CN(C)CCN3C)nc2ccccc21 67840236 MWKUNRMXDNMDJT-UHFFFAOYSA-N 369.557 2.904 0 50 FFAA CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)cc1 136128002 PSOWVKASGYJQHW-HNNXBMFYSA-N 360.454 2.927 0 50 FFAA Cc1cccc(F)c1-n1nc(C(=O)N[C@@H]2CCCC[C@H]2O)c2c1CCC2 421860019 GHHXEHVDDDYKBJ-NVXWUHKLSA-N 357.429 2.842 0 50 FFAA COC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1C[S@@](=O)C2 8733552 DBVYTMRKCXGYSL-DEOSSOPVSA-N 367.810 2.602 0 50 FFAA Cc1nn(C)c(C)c1[C@@H](C)c1nc(COCC(F)(F)C(F)F)no1 350990437 OVWKDQXRPCDSGI-SSDOTTSWSA-N 350.316 2.989 0 50 FFAA Cc1nc2sccn2c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 65398268 WBNBIUUHCZGYRS-HNNXBMFYSA-N 356.451 2.921 0 50 FFAA COc1ccc([C@@H]2CCCN2CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(OC)c1 252444053 WUHASJSAMDFKPE-NUJGCVRESA-N 372.465 2.973 0 50 FFAA CCn1nccc1N1CCC[C@H](NC(=O)CCc2ccccc2Cl)C1=O 252492244 MGNZAKRMAMXZFL-INIZCTEOSA-N 374.872 2.801 0 50 FFAA CCOc1cc(-c2nnn(CC(=O)Nc3ccccc3F)n2)ccc1OC 4775944 XHBGOMWXEGRZCI-UHFFFAOYSA-N 371.372 2.525 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc4nsnc4c3)CC2)c1 72135289 GKVDODNLCVPXLL-UHFFFAOYSA-N 368.462 2.658 0 50 FFAA CCn1c(C)ccc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c1=O 77540328 DKYVPZMFJGHREN-FQEVSTJZSA-N 368.477 2.632 0 50 FFAA c1nc(NC[C@@H]2CCCO2)ncc1CN1CCCN(C2CCCC2)CC1 77471262 TUNPWROVTYXFGR-IBGZPJMESA-N 359.518 2.518 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 154021788 SUTJZTPPRFPBIK-QWHCGFSZSA-N 352.312 2.754 0 50 FFAA CC(C)C(=O)N1CCC(CNc2nc(C(C)C)nc3c2cnn3C)CC1 72152539 NOAZAIXYXXQXPO-UHFFFAOYSA-N 358.490 2.793 0 50 FFAA O=C(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1n[nH]c2c1CCC2 72468717 FSAIVEXRTDZDAL-GFCCVEGCSA-N 367.478 2.907 0 50 FFAA O=C(NCc1csc2c1CCCC2)c1cn(CC[C@@H]2CCCCN2)nn1 77470297 MWSIWXOJUUWXJR-HNNXBMFYSA-N 373.526 2.681 0 50 FFAA Cc1nccn1CCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 219326241 IPGQYLJMIVERHL-IAYYMHMVSA-N 364.449 2.758 0 50 FFAA O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](O)CN1 238099535 VGSGLPDTZVNQPO-GUYCJALGSA-N 365.260 2.999 0 50 FFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(=O)n(Cc2ccccc2)n1 129676478 KDKWWFLGNUUSRI-UHFFFAOYSA-N 371.400 2.934 0 50 FFAA Fc1ccc(CN2CCCN(Cc3cnc(N4CCCC4)nc3)CC2)cc1 72151009 LWLMHZTXVJWFGE-UHFFFAOYSA-N 369.488 2.924 0 50 FFAA O=C(c1cc2nccnc2cc1F)N1CC[C@@H](c2nc(C3CC3)no2)C1 375549044 PBOQEJLKFCXQJI-LLVKDONJSA-N 353.357 2.659 0 50 FFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 454305431 AVXWDODPQNPCIC-MRXNPFEDSA-N 374.466 2.575 0 50 FFAA CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@H](C)NC(=O)C2CCCC2)no1 173450947 HJIVYWVQILPIHX-ZFWWWQNUSA-N 362.474 2.942 0 50 FFAA Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 241630841 PLUUCXQTSRZYGQ-UHFFFAOYSA-N 371.418 2.753 0 50 FFAA Cc1cc(=O)nc(S[C@H](C)C(=O)NCc2coc(-c3ccccc3)n2)[nH]1 221369786 MTUQMEDMRFYOGI-GFCCVEGCSA-N 370.434 2.530 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCC(OCc2cccnc2)CC1 82096752 CCUFRBQMKLKCLC-UHFFFAOYSA-N 354.406 2.674 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)NCCn2ccc3ccccc32)C1 426551401 XTQFFBPSBUSMNR-GOSISDBHSA-N 370.497 2.931 0 50 FFAA CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C)c3)C[C@@]23C=C[C@H]1O3 226888527 ZDCDBZQIBWZIQY-OLMMMNRUSA-N 361.825 2.888 0 50 FFAA Cc1ccc2nc(CCCNC(=O)c3cnc(C4CC4)nc3O)[nH]c2c1C 426668287 JEVRVOJMJZVYRN-UHFFFAOYSA-N 365.437 2.915 0 50 FFAA Nc1nc(NCc2c[nH]nc2-c2ccc(Cl)cc2)cc(C2CC(O)C2)n1 223118984 CWSXXZSSNSNBHQ-UHFFFAOYSA-N 370.844 2.953 0 50 FFAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 426465073 CVQFENQSCWLHIZ-AWEZNQCLSA-N 359.817 2.860 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)cc1 222488175 FQZKXWBUGCXTRW-NYXISSTPSA-N 355.390 2.571 0 50 FFAA CN(C)[C@@H](C(=O)N1CCCN(Cc2cccnc2)CC1)c1ccccc1F 95374572 AIGAXFPYMWFKLE-HXUWFJFHSA-N 370.472 2.558 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(C(=O)N(C)c1ccccc1)CC2 92045525 FIMXBEXDWIBYDC-UHFFFAOYSA-N 372.513 2.509 0 50 FFAA Cc1ccccc1SCC(=O)N1CC[C@H](N(C)C)[C@H](CCC(=O)O)C1 91624573 ZUFNNDAOVBEDTD-CVEARBPZSA-N 364.511 2.731 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 91645139 JUKUUBCFCPIXPE-UHFFFAOYSA-N 363.845 2.908 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CCCc1cn[nH]c1 91547902 PGPMVMBZIBPWSK-ZDUSSCGKSA-N 350.426 2.770 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1cn3cc(C)ccc3n1)CO2 91746519 QLBSFDGEYJFKLD-OAHLLOKOSA-N 351.406 2.519 0 50 FFAA O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@H](OCc2cccnc2)C1 95386777 WSKMGAMDZVPIAS-KRWDZBQOSA-N 366.421 2.741 0 50 FFAA O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc2[nH]c(CO)nc2c1 97480431 RDALNBKVAYQIIN-HXUWFJFHSA-N 358.401 2.970 0 50 FFAA O=C(c1n[nH]c2c1COCC2)N1CCCC[C@H]1CCc1ccc(O)cc1 244605522 FABNWLQPIWMAFC-HNNXBMFYSA-N 355.438 2.816 0 50 FFAA COc1cc2c(cc1OC)CN(CCC(=O)NCCc1ccccc1)CC2 240742241 AQKIIFIWLZTNLW-UHFFFAOYSA-N 368.477 2.811 0 50 FFAA biogenic Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244773836 PHKYHUHHSPSROJ-IHRRRGAJSA-N 367.371 2.551 0 50 FFAA Cc1ccc(-c2nc(CN3CCC[C@H](c4cc(O)ncn4)C3)no2)cc1 243915007 BLLPMGJJGQJXHG-HNNXBMFYSA-N 351.410 2.920 0 50 FFAA COCCn1ccc2c(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cccc21 253408761 LAWIVYFMYBBJHM-HNNXBMFYSA-N 357.454 2.731 0 50 FFAA Cc1noc(CCC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)n1 183488331 FWJMJJAILNFFOS-AWEZNQCLSA-N 369.343 2.930 0 50 FFAA CNc1nc([C@@H]2CCOC2)cc(N2CCC(c3ncncc3C)CC2)n1 299757568 HCYSVTKSWUWVDM-OAHLLOKOSA-N 354.458 2.505 0 50 FFAA Cc1cc2nc(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)cc(C)n2n1 299758350 LWYBIZPLYJAIQU-HNNXBMFYSA-N 367.428 2.742 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 299774609 ICYVMMWTRHOTOS-HXUWFJFHSA-N 370.424 2.876 0 50 FFAA CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NCCCn2cnnc2)c1 299786967 OHMAQGPNDITJHN-UHFFFAOYSA-N 365.821 2.709 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1 822534981 HOLKNMLSXIHNTD-UHFFFAOYSA-N 350.382 2.572 0 50 FFAA CN(C)CC(=O)Nc1ccccc1NC(=O)COc1ccccc1Cl 823678507 PDUWMWQVAHTNFS-UHFFFAOYSA-N 361.829 2.858 0 50 FFAA O[C@H]1CN(Cc2cccn2-c2ncccn2)CC[C@@H]1c1ccc(F)cc1 1565515336 QEVSGHZZGNYWOG-MOPGFXCFSA-N 352.413 2.757 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)c1 1565506363 CFPREBLJNVUVDP-UTKZUKDTSA-N 364.493 2.884 0 50 FFAA COCCCN1C(=O)CC[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 1565527841 JFSRDNUJBMSUJP-PBHICJAKSA-N 352.425 2.814 0 50 FFAA c1cc(-c2nnc3ccc(N4CC[C@@H](CN5CCCC5)C4)nn23)cs1 274986231 ZXPINCFTAXCIKH-AWEZNQCLSA-N 354.483 2.775 0 50 FFAA Cc1noc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 170623063 AERHVIYICRSOQX-UHFFFAOYSA-N 354.244 2.804 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CC[C@H](N3CCCC3)C2)CC1 171057329 JDMIVNAQYYGMSC-SFHVURJKSA-N 372.513 2.544 0 50 FFAA C[C@H]1CCN(C(=O)NCCc2csc3ccccc23)CCS1(=O)=O 192330087 XDTDTQUDVUROOR-ZDUSSCGKSA-N 366.508 2.662 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2cc(-c3ccncc3)no2)C1 1506398551 DJYAHQBBADGKRH-OAHLLOKOSA-N 351.410 2.565 0 50 FFAA COc1ccc(OCCCN2CCC[C@@H](C(=O)c3nccn3C)C2)cc1 1506405573 VMMCMXDJSUWSIG-MRXNPFEDSA-N 357.454 2.793 0 50 FFAA CN(C)c1ccc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 1529100282 PWQFMTFFRWPRIA-NQIIRXRSSA-N 362.477 2.731 0 50 FFAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1cccc(OCc2ccccc2)c1 210299084 XURZKBIQRPLZJX-QUCCMNQESA-N 355.434 2.764 0 50 FFAA CC(=O)c1ccc(N2CCCN(C(=O)[C@H](C)Oc3ccccc3)CC2)nc1 1772816774 VAIWWRNAGKNHMK-KRWDZBQOSA-N 367.449 2.790 0 50 FFAA CC[C@H]1C[C@@H](O)CCN1C(=O)c1nn(Cc2ccccc2)c2ncccc12 1772707900 XRNLXANISCCZSK-IRXDYDNUSA-N 364.449 2.855 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1 11714687 MBDBVXJUDYQXKE-AWEZNQCLSA-N 360.410 2.761 0 50 FFAA CCOC(=O)CN(C)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 12202266 YZOUPSQPYAMIPD-UHFFFAOYSA-N 372.421 2.768 0 50 FFAA CC(C)N(C(=O)Cn1c(CCNC=O)nc2ccccc21)c1ccccc1 12382450 ILLCSPRDNLETNY-UHFFFAOYSA-N 364.449 2.766 0 50 FFAA COc1ncccc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 12387533 SVRLUDPSUWZNRG-MRXNPFEDSA-N 357.429 2.966 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@H](Cc2ccc(F)cc2)C1 15066039 YSIDXSZBCHTLRZ-CQSZACIVSA-N 363.410 2.742 0 50 FFAA O=S(=O)(Cc1ccccc1)C[C@@H](O)COCc1ccc(Cl)cc1 16513492 AYEOGRIHRBGMHB-KRWDZBQOSA-N 354.855 2.833 0 50 FFAA CS(=O)(=O)N(CC(=O)NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cccc(F)c1 1857672572 GCJALPMRVJYITL-VBQJREDUSA-N 368.474 2.534 0 50 FFAA CCn1nc(C)c(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1C 1857714460 VGOXTPSCXFQWRQ-NRFANRHFSA-N 368.481 2.769 0 50 FFAA CCN1CCN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)[C@@H](C)C1 421918150 WKMSBKQPKHRTKS-HNNXBMFYSA-N 370.472 2.975 0 50 FFAA O=C(N[C@H]1CCO[C@@H]1c1cncc(Br)c1)[C@H]1C[C@H]1C1CC1 332783402 LARWKVBCLREFII-ZQDZILKHSA-N 351.244 2.836 0 50 FFAA Cc1nc(-c2ccc(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)cc2)n[nH]1 461875275 AYOCOWQSQJUGPQ-UHFFFAOYSA-N 363.421 2.663 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n[nH]1 162058277 QNDKIQDQSQDPGZ-PBHICJAKSA-N 358.461 2.817 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)Cc1cccc(O)c1 918335400 WDZMDYFZEBROLY-FQEVSTJZSA-N 352.434 2.887 0 50 FFAA Cc1nccc2c(S(=O)(=O)N3C[C@H]4CCCC[C@@]4(CN)C3)cccc12 1875317095 OQXAZHZWEABSHN-DNVCBOLYSA-N 359.495 2.683 0 50 FFAA Cn1ncc(C(=O)Nc2ccc([C@@H]3CNC(=O)C3)cc2)c1Cc1ccccc1 1875358398 VBEWUJQGZXGOGI-KRWDZBQOSA-N 374.444 2.867 0 50 FFAA Cc1nc(O)cc(N2C[C@H](NC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC3(CC3)C2)n1 1875407209 UYGPEYDZINIYCX-VCBZYWHSSA-N 358.486 2.648 0 50 FFAA C[C@]1(NC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)CCN(c2nc(Cl)ncc2F)C1 1875405564 JSLJDORFWJZKRU-PXDYOCJYSA-N 352.841 2.790 0 50 FFAA O=C(NCCc1cncnc1)N1CCC(c2ccc3cccnc3n2)CC1 888100199 VSHDLXNSKIXUHX-UHFFFAOYSA-N 362.437 2.552 0 50 FFAA NC(=O)NC[C@@H]1CCN(c2ccc3cc(Br)c(F)cc3n2)C1 2325725116 JWKKOUOADPTHTK-VIFPVBQESA-N 367.222 2.631 0 50 FFAA O=C(NCc1ccc(-c2cc[nH]n2)cc1)Nc1cccc(-n2ccnn2)c1 2325744663 GYZRUKVJBBLZRD-UHFFFAOYSA-N 359.393 2.979 0 50 FFAA Cc1nc(-c2c[nH]c(C(=O)Nc3cnn(C4CCNCC4)c3)c2)cs1 844195737 ZHJWNJWMILXTKQ-UHFFFAOYSA-N 356.455 2.820 0 50 FFAA O=C1CCc2cc(C(=O)NCCc3ccc4c(c3)CCOC4)ccc2N1 2325797870 ZNJOMKKWPWOUTQ-UHFFFAOYSA-N 350.418 2.617 0 50 FFAA Cc1noc(Cc2ccc(NC(=O)N[C@H]3CCc4c(n[nH]c4C)C3)cc2)n1 2325869523 ROVKYMGQXNGPEN-HNNXBMFYSA-N 366.425 2.679 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)C1 2325888575 GWHIXQLZZVNVLO-MRXNPFEDSA-N 369.465 2.594 0 50 FFAA Cc1ccc(S(=O)(=O)[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 820614 REUJKBFELXQEDZ-JTQLQIEISA-N 362.637 2.551 0 50 FFAA Cn1nnnc1SCCNCc1ccccc1OCc1ccc(F)cc1 2885286 UZDHHHBPUMWJBN-UHFFFAOYSA-N 373.457 2.810 0 50 FFAA COC1=C[C@H](O)C[C@@H](C)[C@@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 4533124 QDNCNBBKBODBDR-CGMALJKESA-N 354.786 2.602 0 50 FFAA CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1cccc(C)c1 9263881 DMRMYHYXMNXJLQ-UHFFFAOYSA-N 361.496 2.585 0 50 FFAA CN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c(Cl)c1)S(C)(=O)=O 106237678 BUNPYLMMJNJGCY-PGUXBMHVSA-N 356.875 2.654 0 50 FFAA CCCN(CCC)C1CCN(C(=O)CSc2nc(CC)n[nH]2)CC1 55341948 YVGVOZHOVZPBTK-UHFFFAOYSA-N 353.536 2.572 0 50 FFAA O=C(NC[C@H](O)c1ccccc1)c1cc(COc2cccc(F)c2)[nH]n1 67803082 JAMJKVOXXOENIF-SFHVURJKSA-N 355.369 2.591 0 50 FFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@H]1c1c[nH]nc1-c1ccccc1 67723621 FMCPACTWNGQVOG-HXUWFJFHSA-N 374.452 2.559 0 50 FFAA O=C(CCNC[C@H]1OCCc2ccccc21)N1CCc2ccccc2C1 65394396 JLJMOTFRMIXSKK-OAQYLSRUSA-N 350.462 2.865 0 50 FFAA Cc1cc([C@@H]2CCCN2Cc2cc3cc4c(cc3[nH]c2=O)OCO4)on1 67515260 COJWIOZLTQXOTE-HNNXBMFYSA-N 353.378 2.890 0 50 FFAA OCC[C@@H]1CN(Cc2cccc3nonc23)CCN1CC1CCCCC1 20256511 KHSGCVFQQGHDII-GOSISDBHSA-N 358.486 2.672 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 20190211 OFCWFQFBZPDGKA-UHFFFAOYSA-N 371.456 2.981 0 50 FFAA Cc1cccn2c(CNCc3nc(-c4ccc(C(=O)O)cc4)no3)cnc12 67973616 ZJPVDAFNZNCILR-UHFFFAOYSA-N 363.377 2.681 0 50 FFAA Cc1ccc2cc([C@H]3CC(=O)NCc4nc5ccccn5c43)c(=O)[nH]c2c1 65399401 DNERILHOGAKMNR-CQSZACIVSA-N 358.401 2.636 0 50 FFAA COCc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)o1 11662126 WJJBBAXEGASNGC-OAHLLOKOSA-N 352.394 2.814 0 50 FFAA Cc1cnc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)s1 252494462 NWLXYJNEDFGCKZ-GFCCVEGCSA-N 355.460 2.710 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCN[C@@H]2CCC(=O)N(CC3CC3)CC2)n1 65526877 XOFOFIMYMKSXMF-CQSZACIVSA-N 370.419 2.727 0 50 FFAA C[C@H](NC(=O)c1ccccc1N1CCOCC1)c1ccc2c(c1)OCCO2 61132579 ADAKLAQOERSRLR-HNNXBMFYSA-N 368.433 2.785 0 50 FFAA Cc1nn([C@@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1Br 2778172 KPDGUGNAOYMKKE-NSHDSACASA-N 371.323 2.940 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 4987138 JEVYUEAEFJSPQI-HOCLYGCPSA-N 374.828 2.943 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@@H](Cc2ccccc2)C1 71416179 YMGGHAHRNUVUJV-IBGZPJMESA-N 364.445 2.503 0 50 FFAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2c(C)nn(C)c2Cl)C1 12581240 XHZOQICJGASZSQ-KRWDZBQOSA-N 357.882 2.564 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c3ccccc23)C1 216057966 PPXXOHVAAQDALJ-OAHLLOKOSA-N 364.449 2.775 0 50 FFAA CCc1nn(C)cc1C(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328624520 CLENASJUYQVYAF-OAHLLOKOSA-N 370.501 2.550 0 50 FFAA CC[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)c2ccccc2n3C)C[C@H]1O 72476382 YCLSMHYORYHUDN-IFMALSPDSA-N 366.461 2.608 0 50 FFAA Cc1nc(=O)c2c([nH]1)CCN(Cc1cnc(C3CCCCC3)nc1)CC2 215276761 LZGCAFRWFADCIM-UHFFFAOYSA-N 353.470 2.517 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 71765530 WWHMGGNWZLJTPR-GOSISDBHSA-N 361.417 2.581 0 50 FFAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](Cn2ccnn2)C1 127550090 YBUQNIUNZGISRR-JSGCOSHPSA-N 359.396 2.821 0 50 FFAA CN([C@H]1CCO[C@@H]1c1cccnc1)S(=O)(=O)C[C@@H]1CCCC1(F)F 333102529 QFEQTFSOTAMTTI-SOUVJXGZSA-N 360.426 2.609 0 50 FFAA CN(CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)Cc1cccnc1 71755286 OXCNQXBVUKWFFD-GOSISDBHSA-N 359.857 2.767 0 50 FFAA CCc1cc(O)nc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 262150382 RFWPKRAFEPMCNY-INIZCTEOSA-N 358.511 2.950 0 50 FFAA Cc1cc(C(=O)N(CC(=O)O)C2CCOCC2)c(C)n1-c1cccc(F)c1 237668107 XWZSITAUJAQYLS-UHFFFAOYSA-N 374.412 2.939 0 50 FFAA Cc1nccn1CCCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72146218 XDZAFVKOCHPKPC-NRFANRHFSA-N 366.509 2.673 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C(=O)N1 72468435 SNWCJIIJTUSNNX-QGZVFWFLSA-N 367.380 2.859 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccncc3F)CC2)cc1 72432158 GGUJZYYXEYMTRE-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)c2ccccc2oc1=O 217936832 RLEHNDBLZHUFMT-CQSZACIVSA-N 368.341 2.892 0 50 FFAA biogenic CC(C)(NC(=O)c1cc(-n2cccn2)ccc1Cl)c1nnc(N)s1 216417394 YAJSRUNTNVADOS-UHFFFAOYSA-N 362.846 2.625 0 50 FFAA COc1ccc(C(=O)NCc2ccc(-c3nnn[nH]3)cc2)c(OC(C)C)c1 241897203 TWNBQCJRRURPCE-UHFFFAOYSA-N 367.409 2.593 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(N2Cc3ccccc3C2)c1 222402095 PMPPAKUVLHWYQJ-WOJBJXKFSA-N 352.434 2.741 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(O)(CN2CCCC2)CC1 222409641 QBJFHSHWLINDDH-UHFFFAOYSA-N 370.415 2.697 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)NCc2cn3c(n2)SCC3)c(C)s1 426684513 OKRXECURCNVUMN-VIFPVBQESA-N 351.501 2.965 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1=O 82116212 TUICJMLZTHXAHQ-CQSZACIVSA-N 374.387 2.916 0 50 FFAA CC[C@H](NC(=O)c1ccc2nc(C)cn2c1)c1ccc(S(C)(=O)=O)cc1 82161239 NIXOMTFAQYCHTK-KRWDZBQOSA-N 371.462 2.927 0 50 FFAA CCOc1ncccc1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1C 82146550 QTANXUWYGSTNPL-OAHLLOKOSA-N 353.422 2.666 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)NCCCc1scnc1C)cn2C 223238382 LABXBCBSXWNXQJ-UHFFFAOYSA-N 355.463 2.974 0 50 FFAA CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1cc3ccccc3o1)C2 82107800 NBXJKKBSQQZFGD-UHFFFAOYSA-N 367.453 2.806 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCn2c(C)cccc2=O)[C@@H](C)C1 82157334 AZUURTWTPWLQFO-SFHVURJKSA-N 353.466 2.593 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1ccc(-c2ccc(C(=O)N(C)C)o2)cc1 426615183 QBGXTDMHOJZGLD-UHFFFAOYSA-N 366.421 2.918 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95374753 JYAIYZMPWOEOLV-HMXCVIKNSA-N 363.461 2.793 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](CC(C)C)c2ncnn2C)c1 91745906 XHIHCLZPRUMWRO-INIZCTEOSA-N 368.441 2.731 0 50 FFAA CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)[nH]1 91411992 NISTXEWYMNKRSO-VQIMIIECSA-N 367.497 2.884 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)Cn2cc(-c3nccn3C)nn2)n1 91486652 AKDDGASSJSRNRB-SNVBAGLBSA-N 353.352 2.539 0 50 FFAA COc1ccccc1-n1nc([C@H]2CCOC2)nc1CCN1CCCCC1 96132968 FDVHMVLOAHMZLH-INIZCTEOSA-N 356.470 2.808 0 50 FFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 92037497 WXLXMXSXHMMIDW-LJQANCHMSA-N 358.442 2.762 0 50 FFAA Cc1ccn2ncc(C(=O)Nc3cc(C)n(-c4cccc(F)c4)n3)c2n1 180118965 IHNHKOFFSJBWRX-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA O=C(NCCCn1cncn1)Nc1ccc(C(=O)OC2CCCC2)cc1 95496555 LMAOZZCULYCLPL-UHFFFAOYSA-N 357.414 2.589 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)c3cccc4ccccc34)nn2)n1 91401342 QULLBUPSDCOJKR-UHFFFAOYSA-N 372.432 2.966 0 50 FFAA O=C([C@H]1CCOc2ccccc2C1)N1CCC(N2CCSCC2)CC1 97785291 BRQADJNVQSKKJN-KRWDZBQOSA-N 360.523 2.668 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)c1c[nH]nc1C1CCCCC1 92107009 IJFGBMIRYGVGGN-UHFFFAOYSA-N 365.437 2.597 0 50 FFAA NC(=O)Cc1nc(CN2CC[C@@H](c3ccccc3)C2)n(C2CCCCC2)n1 96132520 ALKRMCBAGUCAJP-QGZVFWFLSA-N 367.497 2.801 0 50 FFAA CC(=O)N1CCN(Cc2ccc(-c3ccc(C)c(Cl)c3)o2)C[C@@H](O)C1 91364645 ZRDJVIQAKIQFHT-MRXNPFEDSA-N 362.857 2.933 0 50 FFAA CCCc1cnc(C)nc1N1CCC[C@H](c2nccn2CCN(C)C)C1 95502224 RUUXNOLWTWPGIR-SFHVURJKSA-N 356.518 2.880 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C 95387868 HMPZBHKMRZOGEG-LJQANCHMSA-N 374.481 2.854 0 50 FFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCCCC2)CC1 238950301 XNXQBARWOUMRSP-WKILWMFISA-N 354.454 2.610 0 50 FFAA CC1(C)C(=O)N[C@H]1C1CCN(C(=O)COc2cccc3ccccc23)CC1 294724585 LJEINAYWEXNJPA-FQEVSTJZSA-N 366.461 2.982 0 50 FFAA COc1cccc([C@H]2CCCCN2C(=O)CN2C(=O)OC(C)(C)C2=O)c1 95508357 FFCVOCYWRDPPDT-OAHLLOKOSA-N 360.410 2.506 0 50 FFAA O=C(CN1CC[C@]2(CCCN(CC3CCC3)C2=O)C1)N1CCCCCC1 91636743 UADRXGUCBQGDTE-OAQYLSRUSA-N 361.530 2.504 0 50 FFAA CCn1cnnc1[C@@H](C)NC(=O)CC1CCN(Cc2ccccc2)CC1 244724464 MUQXYCOFWSLEPM-MRXNPFEDSA-N 355.486 2.778 0 50 FFAA O=C(CCn1cnc2ccccc21)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244723546 MDNHLEPJVHQJOU-QWFCFKBJSA-N 363.461 2.925 0 50 FFAA O=C(c1ccc2nccnc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 244633073 FVYSVQRGNJCFIR-UHFFFAOYSA-N 372.472 2.945 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)CCO1 299749892 LZCWVFCMQUHCSN-QGZVFWFLSA-N 359.353 2.934 0 50 FFAA O=C(O)c1ccc(CCC(=O)N2CCC(OC3CCOCC3)CC2)cc1 299749128 JJROIRVDPNRKCU-UHFFFAOYSA-N 361.438 2.504 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299752730 VEMNUFPAMQLTQM-YUTCNCBUSA-N 374.466 2.710 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H]2C[C@@H](O)C2)cc1F 252552047 UMXLBKKGZBAHII-BIENJYKASA-N 373.380 2.805 0 50 FFAA CC(C)C[C@H](NC(=O)N(C)Cc1cnc2ccccc2n1)c1ncnn1C 534583418 NPKGHRLVTNVPEW-KRWDZBQOSA-N 367.457 2.687 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc2cccc(F)c2n1 1940197517 VYZLNSZEIUAXNA-CRAIPNDOSA-N 351.381 2.756 0 50 FFAA C[C@@H](C(=O)N(C)C)N(C)C(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1 299789186 SUULINMRINEPPZ-AWEZNQCLSA-N 369.465 2.525 0 50 FFAA COc1ccc2c(c1)[C@H](NC(=O)CSc1nnc(C)o1)CC(C)(C)O2 299782535 FTRXROMLYNIJSJ-CYBMUJFWSA-N 363.439 2.897 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1cccc(-c2cnco2)c1 299769665 SWOVPKLBSGBEPO-CQSZACIVSA-N 369.381 2.940 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cc(-c2ccsc2)[nH]n1 828211772 RWHQUKBFPHYOST-CYBMUJFWSA-N 370.434 2.766 0 50 FFAA O=c1c2cc(-c3ccccc3)sc2ncn1C[C@H]1CCCN(CCO)C1 828760496 XRZRWBQTCZQPFL-HNNXBMFYSA-N 369.490 2.829 0 50 FFAA COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1OC 1565529453 BPHVGDVUGNNUHO-HKUYNNGSSA-N 371.433 2.808 0 50 FFAA O=C(c1ccccc1-n1cnnc1)N1CCCN(c2ccc(F)cc2)CC1 952966185 HOIILXPPWIODAX-UHFFFAOYSA-N 365.412 2.759 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 952979316 ZXSQNANHIKUCLV-OAHLLOKOSA-N 374.462 2.682 0 50 FFAA Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccc(O)cc3)C2)no1 171353449 RHLIWAGQNOYHEN-CJNGLKHVSA-N 358.442 2.679 0 50 FFAA CCN(Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597310 MZUFDAYSDIHTSP-CQSZACIVSA-N 352.442 2.659 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2cn(Cc3ccccc3)nn2)C1 170601815 AGIJDEURVSCXFU-OAHLLOKOSA-N 371.441 2.522 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N(Cc1ccccn1)C[C@@H]1CCCO1 1506406082 YPYXOTKFFORZFB-KRWDZBQOSA-N 368.481 2.824 0 50 FFAA O=C(CN1CCC([C@H](O)c2cccs2)CC1)NCc1ccccc1F 1529185690 OUVQTMWFKCNQBE-IBGZPJMESA-N 362.470 2.949 0 50 FFAA CC(C)CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)C1CC1 1529126350 DSKGWXOLPBAFCP-SJORKVTESA-N 350.846 2.543 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3c(Cl)cncc3Cl)C[C@@H]12 1529158604 GBMBARHSGIHZHY-ZBFHGGJFSA-N 358.269 2.759 0 50 FFAA CCOc1ccccc1CCCNc1nccc(N2CCC[C@@H](O)C2)n1 1704342690 PPMBIAMJDMZPEI-QGZVFWFLSA-N 356.470 2.881 0 50 FFAA CC(C)[C@@H](NC(=O)Cn1ccc2c(Br)cccc21)C(=O)O 206411314 AQNNILJCLSBCEE-CQSZACIVSA-N 353.216 2.629 0 50 FFAA COc1cc(C2=N/C(=C/c3ccccc3O)C(=O)O2)cc(OC)c1OC 1735692 UXQMWNDXADTNHS-MDWZMJQESA-N 355.346 2.763 0 50 FFAA COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(CCC(C)C)c3n2)c1 1857526273 PFXQSOMNKHTYKN-UHFFFAOYSA-N 355.394 2.924 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccoc2)CC12CCN(C(=O)CC1=CCCC1)CC2 1857689547 GUBKWRPQPZHLNW-SFHVURJKSA-N 372.465 2.905 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccsc3)CC2)OCCN1CC1CCC1 1857705050 PYLHWNONDVICNN-UHFFFAOYSA-N 362.495 2.772 0 50 FFAA COCCC1(NC(=O)[C@@H]2CC(=O)N(c3nc4ccc(C)cc4s3)C2)CC1 1857723407 FDUDKTKTMAABRV-CYBMUJFWSA-N 373.478 2.643 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cscn1 1857725568 CSFJWLQAYUUZHK-IJEWVQPXSA-N 363.870 2.741 0 50 FFAA C[C@@H]1C[C@@H](CO)CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 331968946 RLYPZUGIDVROPM-GHMZBOCLSA-N 369.252 2.665 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](N)C[C@@H]2C)c(Br)c1 237503234 NPELVGPMSFFLHA-XQQFMLRXSA-N 355.276 2.863 0 50 FFAA COCCC1(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CCC1 132446669 OGXDQFDGFCZCHY-KRWDZBQOSA-N 360.454 2.627 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CC(=O)O)C1CCOCC1 486002993 HOAAYQCVOXMLCG-LBPRGKRZSA-N 355.818 2.508 0 50 FFAA O=C(O)C1CCC(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 263487720 PYHDDZZNPAVODF-TZDAIYRESA-N 368.380 2.691 0 50 FFAA Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc(Br)c1C 267095600 VONFRAJAVBBLMO-UHFFFAOYSA-N 372.288 2.586 0 50 FFAA COC1(C(=O)N2CC[C@H](c3ncc(C(=O)O)s3)C2)CCCCCC1 907785569 HPOSKEGHMVIYPE-LBPRGKRZSA-N 352.456 2.897 0 50 FFAA CC(C)c1ccc(NC(=O)CN2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 933923732 TZRYBROMRUWYMQ-GOSISDBHSA-N 364.511 2.648 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H](NC(=O)C3CC3)[C@H](c3ccccc3)C2)s1 940788820 UETBAISUWBPJRN-JKSUJKDBSA-N 355.463 2.586 0 50 FFAA CCn1cc(Br)c(COC(=O)c2nc(C)[nH]c3nccc2-3)n1 1875299715 UBRXXPZLEJVLNT-UHFFFAOYSA-N 364.203 2.554 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCC(=O)c2c(Cl)cccc2Cl)CC1 1875366151 VLTJSYNSIIQWEX-UHFFFAOYSA-N 369.248 2.717 0 50 FFAA CO[C@H]1C[C@@H](C(=O)O)CN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330373 PHODHXZQLGPCLP-MNOVXSKESA-N 353.850 2.670 0 50 FFAA O=C1O[C@H]2CN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)CC[C@H]2O1 1875319970 AOJQTDWTKKQJTN-NEPJUHHUSA-N 356.300 2.728 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N5CCC[C@]6(C=Cc7ccccc7O6)C5)[C@@H]4[C@H]3[C@@H]12 887790954 XWLPFMGQXOYUEA-MZYDIGORSA-N 373.452 2.780 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 2476396 MHQHXQFQPPBAGK-AWEZNQCLSA-N 367.405 2.645 0 50 FFAA CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CCO 4593955 WRUHATLPJFVJMW-UHFFFAOYSA-N 361.467 2.796 0 50 FFAA COc1ccc(-c2nnc(CN(C)C(=O)C3CC3)o2)cc1Br 2325734102 AJVKPSONHZHKKE-UHFFFAOYSA-N 366.215 2.876 0 50 FFAA O=C(O)CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)c2cccn21 2325762919 RDXRMKFBQDHPAU-HNNXBMFYSA-N 360.797 2.773 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CC[S@](=N)(=O)c3ccccc32)cc1 2325888937 SDBHALNCJKNQBM-VWLOTQADSA-N 355.419 2.877 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@H](O)[C@@H](O)C3)c(C)o2)c2ccccc12 67674393 FBHGQTYWUCKXIF-OALUTQOASA-N 368.433 2.739 0 50 FFAA CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)NC(=O)N1 844460 ZCODHUILFDVDJC-GOSISDBHSA-N 366.373 2.787 0 50 FFAA COc1ccc(OC)c(NC(=S)NC(=O)COc2ccc(C)cc2)c1 1180403 DWOZZQUFDPOGIX-UHFFFAOYSA-N 360.435 2.904 0 50 FFAA CCOC(=O)C1=NN[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 1186916 KZBULHORPYLMSU-SJORKVTESA-N 352.390 2.553 0 50 FFAA CCOC(=O)N1CCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 2236811 HDGFKTKSPVELTC-UHFFFAOYSA-N 357.863 2.820 0 50 FFAA CCOC(=O)[C@H](C(=O)c1ccncc1)[C@@H](C(=O)OCC)c1ccccc1 3130210 MGKGXPHYXFHGHM-IRXDYDNUSA-N 355.390 2.791 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1I 2759843 LIZWLNAKXOVBFQ-VIFPVBQESA-N 367.190 2.616 0 50 FFAA CN1CCC(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)(c2ccccc2)CC1 2356159256 SHHVVIBDPKYWCM-CTNGQTDRSA-N 356.510 2.804 0 50 FFAA Cc1cccn2cc(C(=O)N3CCC[C@@]34CCCN(C(C)C)C4=O)nc12 2356164658 BODLPOBBUVQSEA-HXUWFJFHSA-N 354.454 2.648 0 50 FFAA O=S(=O)(c1ccc(I)cc1)n1ccc(C2CC2)n1 6242421 VJGXRYWNIICNNV-UHFFFAOYSA-N 374.203 2.602 0 50 FFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccccc4O)nc3c12 6720012 RCGYCJRNIXKXRZ-UHFFFAOYSA-N 350.426 2.630 0 50 FFAA CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(c3cc(C)ccn3)CC2)c1 55344378 JRSRVMWWMAUKOQ-UHFFFAOYSA-N 372.856 2.964 0 50 FFAA COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 8844251 HOCRQYPMLFVLKS-UHFFFAOYSA-N 359.451 2.697 0 50 FFAA O=C1C[C@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1Cc1ccccc1 100788975 UXOMCKBUZWTLOF-QZTJIDSGSA-N 354.450 2.578 0 50 FFAA O=C(NCc1ncnn1-c1ccccc1)c1cnc(-c2ccncc2)s1 467917875 IMFAZHQKGQEJKS-UHFFFAOYSA-N 362.418 2.716 0 50 FFAA CCN1CCN(Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)CC1=O 67803219 LIERAVHGSTWWHA-UHFFFAOYSA-N 373.453 2.640 0 50 FFAA Cc1cc(-n2nc(CCc3ccccc3)nc2CCn2cncn2)ccn1 65404682 UIBZXERQIQWTMO-UHFFFAOYSA-N 359.437 2.590 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2nn3cc(C)cnc3c2Cl)C1 67690445 HJUMFUSAIVQENK-ZDUSSCGKSA-N 372.860 2.996 0 50 FFAA COc1cccc(C(=O)Nc2ncn(Cc3cccc(F)c3)n2)c1OC 2799938 NUQIPWNEXOFTBY-UHFFFAOYSA-N 356.357 2.735 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cnn3ccccc23)n1C 328649812 VDKGDPVMPTZKBC-GOSISDBHSA-N 351.454 2.760 0 50 FFAA CCc1onc(C)c1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328627551 MWMYGFAJBQTHCF-HNNXBMFYSA-N 370.453 2.834 0 50 FFAA COC(=O)c1c(NC(=S)NC[C@H]2CCCO2)sc2c1CCCC2 6735050 WYAPKRDCHJDEAA-SNVBAGLBSA-N 354.497 2.879 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 72474452 AZZPTJXPGGMCGW-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cnc3ccccc3c2)CC1)N1CCOCC1 72479084 BQDWFGZNQIXOFG-INIZCTEOSA-N 353.466 2.808 0 50 FFAA COCCN1C[C@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)CC1=O 12589979 DHAZZEKUISSTKV-HNNXBMFYSA-N 358.438 2.583 0 50 FFAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1ncc2ccccc21 219784430 UTRMLMUZXQBTHN-CQSZACIVSA-N 367.405 2.739 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 238019657 XEMVCXOZFZHOPJ-ZIAGYGMSSA-N 361.344 2.848 0 50 FFAA Cc1ccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 219279466 XSFDABQMPIYLSS-IRZJEQJZSA-N 367.445 2.937 0 50 FFAA Cc1cccc(OC2CN(Cc3cc(Cl)ccc3OCC(N)=O)C2)c1 72166574 CKTMEOBSRIKHFQ-UHFFFAOYSA-N 360.841 2.776 0 50 FFAA COCc1csc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)n1 377880108 RSQUTBDSXCUMFL-HNNXBMFYSA-N 358.467 2.958 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c1 72477570 LPOSRYNKMUHIKY-IBGZPJMESA-N 371.481 2.518 0 50 FFAA COCCOc1ncccc1NC(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 157824337 QVJOYTCCRWTIBO-MAUKXSAKSA-N 374.485 2.587 0 50 FFAA COCCCN1CC[C@@H](CNC(=O)c2c(C)c3cc(F)ccc3n2C)C1 215848583 GGGLVWPUUZUPSB-HNNXBMFYSA-N 361.461 2.714 0 50 FFAA CCCC(=O)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 174969984 ZDMWLCJSQZMVSQ-PMACEKPBSA-N 371.525 2.758 0 50 FFAA Cc1c(NC(=O)c2cc3ccccc3oc2=N)c(=O)n(-c2ccccc2)n1C 17076572 VOOGKUPNJPFXHE-UHFFFAOYSA-N 374.400 2.962 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc(=O)[nH]1 82109541 TZHQGTIJKJDVQF-HNNXBMFYSA-N 364.405 2.753 0 50 FFAA Nc1ccnc(-c2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2)c1 426402151 YPCKXGMGEFXTJI-UHFFFAOYSA-N 364.371 2.651 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)c1ccccc1)N1CCN(CCCO)CC1 426677780 BJIAMLBRZXXQIY-NRFANRHFSA-N 367.493 2.680 0 50 FFAA CCn1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)cn1 20606686 KZZVLMNRYXJFAX-KRWDZBQOSA-N 364.409 2.527 0 50 FFAA O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 97698714 JGXHSMIAHUOSRD-GOSISDBHSA-N 370.474 2.514 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(SC)cc1)CCN2C 95387276 FDWXEMHHEILGLZ-HXUWFJFHSA-N 361.555 2.927 0 50 FFAA Cc1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n(C)n1 91780265 OAFVPAGSEMHTGN-INIZCTEOSA-N 354.454 2.521 0 50 FFAA Nc1cccnc1-c1ccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 426727377 HAXTWPXXXQEZQL-UHFFFAOYSA-N 364.449 2.558 0 50 FFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCN(C2CCSCC2)CC1 95530384 SHONGFWDNQVTCT-QGZVFWFLSA-N 360.523 2.668 0 50 FFAA Cc1cccn2c(CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cnc12 97675235 LCOHAMYRISOTFK-SFHVURJKSA-N 353.397 2.924 0 50 FFAA CCN(Cc1nc(C)no1)C(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 91707854 QJLPKYHIWLAOKE-INIZCTEOSA-N 370.453 2.903 0 50 FFAA O=C1C[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1Cc1ccccn1 91987524 WJYNPKPNRBSXOC-OAHLLOKOSA-N 369.852 2.668 0 50 FFAA COCc1cccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)n1 97323898 DHZXYUDRXGTDFF-SFHVURJKSA-N 353.466 2.837 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(CCn2cccn2)CC1 91435264 YEZLOFOLIUTLKY-UHFFFAOYSA-N 350.422 2.667 0 50 FFAA CO[C@@H]1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1 97759329 VFZKMXTXIWCCAG-GOSISDBHSA-N 356.422 2.823 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95392078 KZZZWSNFFULDDD-SJLPKXTDSA-N 354.498 2.999 0 50 FFAA CC(=O)NC(C)(C)c1noc([C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 182163627 MHOMLNHKDLXSAE-MRVPVSSYSA-N 373.379 2.968 0 50 FFAA Cc1ccc(NC(=O)c2nnc(CN3CC[C@@H](N4CCCC4)C3)s2)cc1 182428498 DGYPRKHDBAGRNK-MRXNPFEDSA-N 371.510 2.769 0 50 FFAA Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](C)c1cn(C)nc1C 184965283 GWDZBHNGWWDSKO-NSHDSACASA-N 372.288 2.839 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)NCCc2noc([C@@H]3CCCO3)n2)cc1 299801648 ZRGWZHHLLUJWLG-HNNXBMFYSA-N 359.426 2.746 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)NC1CCN(Cc2ccccc2)CC1 827627280 WDMHNFLOVQGKCB-HXUWFJFHSA-N 368.477 2.516 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2)nn1C 584903448 UTUNTNZANVQUDT-GOSISDBHSA-N 362.433 2.866 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCC4)cc2)CC1 952860673 QXIWLJZZKPIIKE-SFHVURJKSA-N 372.465 2.974 0 50 FFAA CCOc1cncc(CCCOC(=O)c2cnn(C)c2-n2cccc2)c1 170609351 MZTINNZLAWRHII-UHFFFAOYSA-N 354.410 2.794 0 50 FFAA O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCN1C(=O)OCC(F)(F)F 170809279 ZXILQPLSVDKFBP-LBPRGKRZSA-N 358.316 2.723 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)N1CCO[C@H](c2cccc(F)c2)C1 171314128 WQHQGNVHJHHDOV-IBGZPJMESA-N 361.461 2.783 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1)CO2 186197092 QKRFVBAZLZGPEQ-WMZOPIPTSA-N 367.449 2.777 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cccc([C@@H]4CCOC4)c3)CCO2)o1 275458033 TYVCHEKEGRKJLB-IAGOWNOFSA-N 371.437 2.911 0 50 FFAA CCc1nn(C)c(CC)c1CC(=O)NC[C@H](C)N1CCc2sccc2C1 188428609 PNXONXRBUQNCST-AWEZNQCLSA-N 374.554 2.712 0 50 FFAA CCCOc1cn(-c2ccccc2)nc1C(=O)NC1(c2nnc[nH]2)CCC1 194280089 OWKXTIKJOHEXBF-UHFFFAOYSA-N 366.425 2.588 0 50 FFAA O[C@H]1CCCN(c2ccnc(NCCCN3CCCc4ccccc43)n2)C1 1704341161 XVMWXLJGPSFJHH-SFHVURJKSA-N 367.497 2.693 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnc4ccccc4n3)C1)CC2 1704300883 YXPMIEHQAZSLEK-OAQYLSRUSA-N 359.433 2.848 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]12 1704358610 PKFVDSBYUXWMSP-IEBWSBKVSA-N 361.873 2.740 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N(Cc1ccccn1)C[C@H]1CCCO1 11665368 PFWDZZFYGSWPRI-GOSISDBHSA-N 369.469 3.000 0 50 FFAA CCOC(=O)CN(C)[C@@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 11910409 QSZMJDYHKPALCZ-MRXNPFEDSA-N 352.862 2.716 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(COc3ccc(F)cc3F)on2)n[nH]1 12302836 MYBYWSPSIKAFHL-UHFFFAOYSA-N 362.336 2.836 0 50 FFAA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1ccccn1 12325059 JVXVYKSAXTZZMA-UHFFFAOYSA-N 352.390 2.754 0 50 FFAA biogenic O=C(c1cc[n+]([O-])cc1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12429728 FMRVBBIHMBFHRI-NRFANRHFSA-N 354.450 2.558 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)C(C)C)C3)C2=O)c1 12465172 HRGDXJWEOHYZDO-IBGZPJMESA-N 364.511 2.548 0 50 FFAA CN(C)C(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12714974 OLDYJPIVMPCPIR-OAHLLOKOSA-N 356.470 2.597 0 50 FFAA O=C(NCc1cc(C(F)(F)F)ccc1F)[C@H]1CCC(=O)N(C2CC2)C1 12762239 VWVFEVCOBKJLCU-JTQLQIEISA-N 358.335 2.862 0 50 FFAA Cc1c(NC(=O)CN(C)C2CCCCC2)c(=O)n(-c2ccccc2)n1C 13323251 OJTNPWSFDAXDTQ-UHFFFAOYSA-N 356.470 2.687 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)c2coc(COc3ccccc3)n2)C1 14949747 ULFZATISOKCCHP-AWEZNQCLSA-N 358.394 2.669 0 50 FFAA CN(CC(=O)N[C@H]1CCCN(CC2CCCCC2)C1)Cc1cccnc1 15066196 WYBAKPHWLQAMOP-FQEVSTJZSA-N 358.530 2.674 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 1857670286 FWSYRVJHEWZEBT-GFCCVEGCSA-N 372.425 2.775 0 50 FFAA O=C(COC[C@H]1CCCCO1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857678363 DZLJHGRRBWWIKV-QGZVFWFLSA-N 369.465 2.590 0 50 FFAA COc1cccc(CN2C[C@@H]3[C@H](CNC(=O)C(C)(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857730544 RCFDABDBBAIEJU-JZJXAQOMSA-N 372.509 2.837 0 50 FFAA O=C(CC1CCCC1)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857735015 COYRYHKRSSCPAX-OPYAIIAOSA-N 354.450 2.868 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1cccc(F)c1 328592748 KHNAVRAALVMCER-UHFFFAOYSA-N 364.442 2.767 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1oc3cc(C)ccc3c1C)C2 219314168 DARATJHATTWOJW-CVEARBPZSA-N 370.449 2.759 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H]([C@@H](C)N)C1 247126163 NBWWRZWJCOEFLI-AGIUHOORSA-N 355.276 2.802 0 50 FFAA CCOc1ccc(OCC(=O)NC[C@H](CO)Cc2ccc(C)cc2)cc1 252482555 DJAXWYFNSJCZEP-GOSISDBHSA-N 357.450 2.740 0 50 FFAA O=C(Cc1ccncc1)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 20867509 WHNMVDUSRLJOQK-NRFANRHFSA-N 364.493 2.780 0 50 FFAA COCCn1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)n1 151367070 KIUVGJUBBNUYAI-KRWDZBQOSA-N 371.485 2.658 0 50 FFAA CCOc1ccc(-c2cn(C3CN(c4cc(OCC)ncn4)C3)nn2)cc1 498981384 ZOVKWVOXVLAJGU-UHFFFAOYSA-N 366.425 2.594 0 50 FFAA C[C@@H]1C[C@H](NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CCS1 931697633 XQVBXTLLFUMTSR-RKDXNWHRSA-N 350.366 2.823 0 50 FFAA C[C@H](CC1CCCCC1)C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1 1875265927 XIMQKTLEZOIUGH-OAHLLOKOSA-N 370.501 2.998 0 50 FFAA Cc1cnncc1NC(=O)N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1875295961 CSBHHAWFWSWGTN-NHAGDIPZSA-N 363.462 2.798 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(OCc2ccccc2F)C1 1875314620 JDCIJJOGTOPKSZ-OLZOCXBDSA-N 373.428 2.623 0 50 FFAA CS(=O)(=O)NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1 1875390660 JTOPUEFQVBYAOJ-UHFFFAOYSA-N 353.827 2.537 0 50 FFAA CC(C)C[N@]1C[C@@H]1COc1ccc(-c2noc(-c3cnn(C)c3)n2)cc1 1875385313 QTEBOMCOFYFURV-VOIUYBSRSA-N 353.426 2.856 0 50 FFAA CC(C)(NC(=O)[C@H]1CCC(=O)c2cccn21)c1ccc2c(c1)OCCO2 885739163 DEHVXJGGAHPFPP-OAHLLOKOSA-N 354.406 2.828 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCC[C@H]2c2ccc(N)nn2)c1 886097310 RGBYGSCCTRPSHZ-SFHVURJKSA-N 351.454 2.945 0 50 FFAA CN(C(=O)c1cn2c(n1)CC[C@H](N)C2)c1ccc(Oc2ccccn2)cc1 2325787812 YKFGQFUXBGIZOI-AWEZNQCLSA-N 363.421 2.621 0 50 FFAA Cc1cccc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842768 HYNIKOVTBSPCAO-OAHLLOKOSA-N 354.454 2.794 0 50 FFAA C[C@H](CNC(=O)Cc1cccc2cnccc12)CNC(=O)C[C@H]1C[C@H]1C 2325868413 YYIHZGHDYSTJIX-IIDMSEBBSA-N 353.466 2.692 0 50 FFAA C[C@H]1CCN(C(=O)c2ccc3cccnc3c2)CCN1C(=O)[C@@H]1C[C@H]1F 2325871325 HXTCIWWFUDAJGS-IAOVAPTHSA-N 355.413 2.656 0 50 FFAA CC(C)Cc1ccccc1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 874889740 QMGDXGKUVOMXEL-UHFFFAOYSA-N 372.446 2.863 0 50 FFAA CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 711240 ZXOMINDCJKYFOL-QGZVFWFLSA-N 350.418 2.809 0 50 FFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCC(=O)N32)cc1 977291 FMUVKECZEZHRMZ-MRXNPFEDSA-N 360.435 2.907 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1110507 WNQQWJUXYFZVPL-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1153365 UDBSBBLVIUREIA-UHFFFAOYSA-N 372.490 2.752 0 50 FFAA COC(=O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1 4037653 XYNHSYFNMAMSBH-UHFFFAOYSA-N 370.405 2.651 0 50 FFAA CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccccc2)cc1 4757001 YZNIEPPREAUHLD-UHFFFAOYSA-N 364.492 2.721 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2F)NC(=S)N1 4807938 WVEUHEGSUHAXNA-KRWDZBQOSA-N 355.438 2.935 0 50 FFAA Cc1c(-c2cc(CN[C@@]3(CO)CCCc4ccccc43)on2)cnn1C 225648609 WFQPGFOWQKOJBD-HXUWFJFHSA-N 352.438 2.697 0 50 FFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(Cl)cc(Cl)c1 54530896 SHFBCDDFXLQVCK-UHFFFAOYSA-N 366.252 2.544 0 50 FFAA Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC[C@H](C(C)C)CC1 114699857 LEAUWHWZMGIMCA-INIZCTEOSA-N 368.481 2.968 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 116216566 CZZZKICVSLQZKM-HOTGVXAUSA-N 359.514 2.879 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3ccccc3-c3ncc[nH]3)CC2)nc1 67491148 HZGBMAOXGHPCHW-UHFFFAOYSA-N 362.433 2.904 0 50 FFAA CN(C)CCN(C)[C@@H]1CCCN(C2CCN(c3ccccc3F)CC2)C1 23478383 WIYOCAKOTMEWPQ-LJQANCHMSA-N 362.537 2.752 0 50 FFAA O=C(CCc1cc(F)ccc1F)N[C@@H]1CCN(C(=O)C2CCCC2)C1 136487908 JMIFHQQEJQJZQO-MRXNPFEDSA-N 350.409 2.805 0 50 FFAA Cc1cc(C)n2ncc([C@H]3CC(=O)Nc4c3c(-c3cccnc3)nn4C)c2n1 65370198 VOXMNTHAICJCRR-CQSZACIVSA-N 373.420 2.616 0 50 FFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(C(C)C)[nH]n1 409414302 PABBOYZUJGTPMC-QFBILLFUSA-N 362.518 2.886 0 50 FFAA biogenic COc1ccc2[nH]c(C(=O)N3CCC(Nc4ncccn4)CC3)c(C)c2c1 67818230 QYCUNEKEPUEOCG-UHFFFAOYSA-N 365.437 2.992 0 50 FFAA CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Br)cc2)C1 7436607 HJBMZPJEDGZGDD-LBPRGKRZSA-N 369.259 2.663 0 50 FFAA C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1S(C)(=O)=O 122243581 ZAFFCIIFIBXSCI-UHFFFAOYSA-N 370.430 2.545 0 50 FFAA CC1=NN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)[C@@](O)(C(F)(F)F)C1 8550600 RIDWIDIGPJSETJ-HNNXBMFYSA-N 352.316 2.858 0 50 FFAA COc1ccc(-c2nccn2CCc2n[nH]c(-c3ccncc3)n2)cc1O 71721468 RYWVTBWLEGJPMV-UHFFFAOYSA-N 362.393 2.687 0 50 FFAA Cc1nnc(CN(C)CC(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)n1C 331498238 KDLNVDWBDZWLAU-MRXNPFEDSA-N 355.486 2.732 0 50 FFAA CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 77428869 RFDUHHUFGOQTJY-UVQNPWMRSA-N 357.498 2.939 0 50 FFAA CCS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@@H]2C[C@H](C)O)cc1 332376721 WWVALZYIDKHZBB-DOTOQJQBSA-N 367.511 2.565 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCc1noc2c1CCCC2 376914961 MSKFJSZDHDQAQE-ZDUSSCGKSA-N 358.446 2.603 0 50 FFAA Cc1nc2ccccc2c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1C 368332613 ONMKTLZQVBDUDF-HXUWFJFHSA-N 352.438 2.666 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccc2scnc2c1 219947343 VFVRBPFTMJKUPB-HUUCEWRRSA-N 355.419 2.658 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CN1C(=O)[C@H](C)Oc2ccccc21 156871102 WCXBRQCGSTUYCO-GOEBONIOSA-N 368.437 2.504 0 50 FFAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc2[nH]c(=O)[nH]c2n1 283474819 PNTBJIUNLRJTFV-JTQLQIEISA-N 359.455 2.973 0 50 FFAA CCCCNC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 77454889 WFINXTGTEVCIID-FQEVSTJZSA-N 358.486 2.796 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 173642181 QXRDYPBUJBYNHG-QGZVFWFLSA-N 352.369 2.968 0 50 FFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1CCS(=O)(=O)c2ccccc21 375204442 AOFHUGNUEJSBJG-QGZVFWFLSA-N 367.430 2.976 0 50 FFAA CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc4ccccc4o3)C2)nn1 284824378 JTHREKLBOIWGOH-IBGZPJMESA-N 354.410 2.729 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)n1 377873951 LQTFUTPJIHMTJF-SJLPKXTDSA-N 369.469 2.508 0 50 FFAA CC(C)N1C[C@@]2(CCCN(S(=O)(=O)c3ccccc3F)C2)CCC1=O 82137661 RXIOWBHSTZKPIM-SFHVURJKSA-N 368.474 2.627 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 226627934 DMZFHWXMPCRDFN-XNFNUYLZSA-N 355.390 2.511 0 50 FFAA O=C1C[C@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c2ccccc2N1 222465647 YYTVXIDAFVUYIJ-SFHVURJKSA-N 369.465 2.615 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NC(C)(C)CN1CCOCC1 426652803 DCQCIDQGVNKKSH-UHFFFAOYSA-N 362.449 2.559 0 50 FFAA Cc1nc(-c2cccc(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)O)C3)c2)no1 263471405 HVMLHTXIGMIVJN-SCLBCKFNSA-N 356.382 2.764 0 50 FFAA O=C(CSc1ccncc1)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 221326155 APNCJRLGLLWRHE-IBGZPJMESA-N 372.494 2.636 0 50 FFAA Cc1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c(-c2ccccc2)o1 426531567 IXYPYFOFDSWZGO-UHFFFAOYSA-N 360.377 2.760 0 50 FFAA CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCCC2)C1 44803561 NMZNCSZUBDFBNL-HNNXBMFYSA-N 354.454 2.867 0 50 FFAA O=C(N1CCOCC1)N1CCC(c2nccn2Cc2ccccc2)CC1 82146000 UINIGCNBMRHWML-UHFFFAOYSA-N 354.454 2.563 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3ccc(C)nc3N)cc2)CC1=O 426504660 VUWQHIOKYZPMGX-OAHLLOKOSA-N 366.465 2.580 0 50 FFAA O=C(NCc1ccc(Cl)s1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 178656888 JDGPLADXFNXLBQ-GJZGRUSLSA-N 371.934 2.969 0 50 FFAA CN1CCC(Cc2nc(CCO)n(Cc3c(F)cccc3Cl)n2)CC1 96153535 BAUPYPNXIXUXAA-UHFFFAOYSA-N 366.868 2.538 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c(=O)[nH]c1C 91410628 RDHMZJSTAVQSDW-QGZVFWFLSA-N 350.422 2.856 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)C[C@@H]4C=CS(=O)(=O)C4)CC3)nc12 91574724 UZYSDQJIJIHUAH-AWEZNQCLSA-N 373.478 2.526 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cc1 91707795 XCICATBMCQUHRB-LJQANCHMSA-N 371.525 2.604 0 50 FFAA CC(C)(C)NC(=O)Nc1ccc(-c2ccc(S(N)(=O)=O)s2)cc1 96180258 ZYMXDALKIRGHJR-UHFFFAOYSA-N 353.469 2.983 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCSCc2[nH]cnc2C)cn1 91537069 MYESYVVFRAVZKI-UHFFFAOYSA-N 371.466 2.576 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc2occc(=O)c2c1 96139339 RVFPCESBKIZRJJ-CYBMUJFWSA-N 369.421 2.706 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(OC(F)F)c1)C2 95355013 KIXGTFJZEKUQAU-GXTWGEPZSA-N 367.396 2.506 0 50 FFAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@@H]2CCCCO2)cc1 95501592 CWBNRDKLFCDKDJ-NRFANRHFSA-N 374.525 2.977 0 50 FFAA O=C(COc1ccc(Cl)c(Cl)c1)N1CC[C@@]2(CCCNC2=O)C1 91575313 QEKSJEYRDSQDBP-INIZCTEOSA-N 357.237 2.501 0 50 FFAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2(C(N)=O)CC2)cc1 91320598 YJJCQNGYNVLJFR-MRXNPFEDSA-N 366.465 2.576 0 50 FFAA Cn1cnc(-c2ccc(C(=O)NCc3ccnc(OCC4CC4)c3)cc2)n1 180126463 VIYBDUHLHFJRBI-UHFFFAOYSA-N 363.421 2.596 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCN(C)c1ccccc1)CO2 92099537 MXRDIPMDMIDQQF-KRWDZBQOSA-N 354.450 2.889 0 50 FFAA CC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc(C)c(C)s1 91643934 UFJDJVOUWUQTGU-AWEZNQCLSA-N 356.451 2.737 0 50 FFAA O=C(Cc1cn2ccsc2n1)NC[C@H](c1cccnc1)N1CCCCC1 97637946 KRQURKWHSTZNCB-QGZVFWFLSA-N 369.494 2.677 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Oc5ccccc5)cc4)C(=O)[C@H]13)O2 247403605 NWJPRZDCURYBDX-WKRCXCSHSA-N 363.369 2.850 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1scc2c1OCCO2 244873019 WIQKFAGPMLCOAD-GBIKHYSHSA-N 351.449 2.823 0 50 FFAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@@H]1CCNC1=O 244773919 PISIGAJEUWCZMZ-QGZVFWFLSA-N 364.401 2.939 0 50 FFAA O=C(O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1 247364334 FMUMEDHFYUKQRJ-FGYAAKKASA-N 365.429 2.743 0 50 FFAA FC(F)(F)c1ccn(C2CCN(Cc3cn4cccnc4n3)CC2)n1 183198196 KZZRKYPWXKBFEV-UHFFFAOYSA-N 350.348 2.782 0 50 FFAA O=C(Cc1c(Cl)cccc1Cl)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 252535837 GZYCNBFLVNNPCV-LXIYXOSZSA-N 371.308 2.791 0 50 FFAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 299712252 UHBMKVNXWBYTFQ-YSIASYRMSA-N 371.525 2.786 0 50 FFAA O=C(CSCc1ccccc1Cl)NCC1CCS(=O)(=O)CC1 299781593 UOKRHWMAZFRNET-UHFFFAOYSA-N 361.916 2.514 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)CN3Cc4ccccc4C3)CC2)o1 299795077 LJHWECGXBDPVAT-UHFFFAOYSA-N 367.493 2.932 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccccc2Cn2cccn2)C2(CCCCC2)O1 299763914 HJRGRBWTJYLSMC-GOSISDBHSA-N 367.449 2.814 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2c(C)[nH]c(C(=O)O)c2C)C1 299784885 ICISIRFEYKPYIA-INIZCTEOSA-N 369.465 2.857 0 50 FFAA Cc1nnc(N2CCN(C(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)s1 1336645926 FMBDXJQESFMQKI-HZPDHXFCSA-N 360.458 2.828 0 50 FFAA CC(C)C[C@H](CN)CC(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 1341588309 LQWCSZAMCBDAHX-AWEZNQCLSA-N 354.458 2.684 0 50 FFAA CN1C(=O)CCc2cc(CN3CCC(OCCN4CCCC4)CC3)ccc21 187047587 HOEYQWOUXSGEPW-UHFFFAOYSA-N 371.525 2.672 0 50 FFAA CCn1c(S)nc2cc(C(=O)NCC3CCSCC3)ccc2c1=O 170626428 VVOSVWFHKIMQSV-UHFFFAOYSA-N 363.508 2.578 0 50 FFAA CC(C)n1ccnc1CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 170646653 ONXLUJWPVMWAKS-UHFFFAOYSA-N 351.454 2.903 0 50 FFAA COc1ccc(CCNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1OC 192985468 DWXOVGYHLNZYQZ-UHFFFAOYSA-N 355.394 2.968 0 50 FFAA Cc1cccc(NS(=O)(=O)c2cccc(C(=O)O[C@H]3CCOC3)c2)c1 761154954 BPAUFJIVDAHHGD-INIZCTEOSA-N 361.419 2.742 0 50 FFAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N1CCC(c2n[nH]c(C)n2)CC1 1506403867 URAWYKAKDLCBFK-HNNXBMFYSA-N 364.833 2.780 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2ccccc2-n2cccn2)CC1 1506428924 QUJQJRYTHBFLMR-UHFFFAOYSA-N 350.426 2.588 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N(C)Cc2c(C)n[nH]c2C)n[nH]1 11819272 UZQLVTKRWLRKKN-UHFFFAOYSA-N 369.425 2.609 0 50 FFAA CSCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12093337 QNMWYLVOAVNTBR-GOSISDBHSA-N 368.449 2.669 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1ccc(C=O)cc1 12206787 HBLVBSHDNCQSJC-UHFFFAOYSA-N 371.525 2.767 0 50 FFAA CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c1 12438793 XUVYUTGQXOVOJB-IBGZPJMESA-N 371.525 2.655 0 50 FFAA COC(=O)CCCC(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 12579083 SQPORXSMFZFENU-UHFFFAOYSA-N 364.348 2.848 0 50 FFAA CC1=C(C(=O)N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)OCCO1 12749869 VXJOGTPLNLUACB-JOCHJYFZSA-N 370.493 2.822 0 50 FFAA O=C([C@H]1CC(c2ccccc2F)=NO1)N1CCN(Cc2ccccc2)CC1 19894432 CMVOMXJXBDGTGL-HXUWFJFHSA-N 367.424 2.663 0 50 FFAA COC(=O)c1c(NC(=O)CN2CCOCC2)sc(C)c1-c1ccccc1 19910753 BOTMFBAPEDRINH-UHFFFAOYSA-N 374.462 2.781 0 50 FFAA Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3sccc3C)C2=O)cc1 4472119 SQDZJEGXQMAKGX-NTEUORMPSA-N 355.419 2.896 0 50 FFAA CN(C)CCCOc1ccc(-c2nccn2CCc2cnn(C)c2)cc1 1857671907 WOVDRQUGONVBLO-UHFFFAOYSA-N 353.470 2.857 0 50 FFAA CCCN1CCC[C@@H](n2ccnc2-c2cnc(N3CCOCC3)s2)C1 1857677931 FRYHWZFHRLBOES-OAHLLOKOSA-N 361.515 2.890 0 50 FFAA CCCC(=O)N1CCC2(CC1)CN(Cc1ccc(OC)cc1)C[C@@H]2C(=O)O 1857685702 QAEAOVJEBGTKNA-GOSISDBHSA-N 374.481 2.621 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@@H]1CCc3c[nH]nc3C1)OCCO2 1857698903 ANMAJZMGHXEUIU-CYBMUJFWSA-N 352.394 2.783 0 50 FFAA Cc1c(C(=O)NCCc2csc(-c3ncccn3)n2)nc2ccccn12 1857739339 OOKQXMDDYPKLEG-UHFFFAOYSA-N 364.434 2.529 0 50 FFAA CN[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 133517277 KWWKIWHDPGTOSF-CMPLNLGQSA-N 359.239 2.566 0 50 FFAA Cc1cn2c(=O)c(-c3nc(Cn4cnc5ccccc54)no3)cnc2s1 904738164 HXDSGTLNJNZLRT-UHFFFAOYSA-N 364.390 2.512 0 50 FFAA Cn1cc(CCC(=O)N[C@@H]2CC23CCN(CC2CCCCC2)CC3)cn1 952894178 MSXOOSKHFWLPRQ-LJQANCHMSA-N 358.530 2.904 0 50 FFAA C[C@H]1c2ccccc2N(C(=O)COC(=O)c2nc[nH]c3nccc2-3)[C@H]1C 1875294199 DBEFZHQBEYXBBF-NEPJUHHUSA-N 350.378 2.605 0 50 FFAA CC12CC(NCc3nc(-c4ccc5c(c4)OCO5)no3)(C1)C1(CCC1)O2 1875292700 QDGSVDZRHNVXEZ-UHFFFAOYSA-N 355.394 2.799 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(F)c(CO)c3)cn2)C[C@@H](C)O1 1875297735 BXEFCHSIWKBXHJ-BETUJISGSA-N 359.401 2.579 0 50 FFAA Cc1nc(C(F)(F)F)oc1C(=O)Nc1cccc(CC(=O)N(C)C)c1 1875312986 LLIIBDUMFFJYPJ-UHFFFAOYSA-N 355.316 2.885 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@H](NC(=O)[C@](C)(F)C(C)(C)F)C2)o1 1875359860 RKLOLXLAVVTQBQ-SJCJKPOMSA-N 357.401 2.570 0 50 FFAA CC(C)Nc1nnccc1C(=O)Nc1cccc(C2(N)CCOCC2)c1 1875349555 BMWQPNQWORTUFJ-UHFFFAOYSA-N 355.442 2.514 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1 11690552 JHUDVMYDSNQHCD-UHFFFAOYSA-N 364.409 2.677 0 50 FFAA O=C(O)c1noc2c1CN(C(=O)[C@@H]1CCO[C@H](c3cccc(F)c3)C1)CC2 2325799662 NXXYXXDZQGNQRQ-WBMJQRKESA-N 374.368 2.565 0 50 FFAA Cn1nccc1C1(C(=O)Nc2cc(C(=O)O)ccc2N2CCCCC2)CC1 2325812791 HHUNCMLQGVHSQI-UHFFFAOYSA-N 368.437 2.779 0 50 FFAA Cc1nccn1CC(=O)N[C@H](C)CNC(=O)C1CCC(C(C)(C)C)CC1 2325843218 ZDFFWXPGPLKHEV-ODIFPOPNSA-N 362.518 2.665 0 50 FFAA C[C@@H](C(=O)NCCc1cccn1C)n1cc(-c2ccc3[nH]ccc3c2)nn1 2325872429 XOZUXAHVVVOFFE-AWEZNQCLSA-N 362.437 2.685 0 50 FFAA O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N[C@@H]1[C@@H]2C[C@@H]3[C@@H]1OC[C@@H]3C2 868912097 UOPWYIFXOPMERO-FAYBUCJXSA-N 364.392 2.517 0 50 FFAA COC(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 784871 GCWWJTSBXQXJJK-UHFFFAOYSA-N 364.405 2.997 0 50 FFAA COc1ccc(OC)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 815206 ZRKOWHHSVQIYKI-UHFFFAOYSA-N 363.324 2.640 0 50 FFAA COC(=O)CNC(=O)c1cc(-c2ccccn2)nc2ccc(Cl)cc12 1073694 HCTOUTBIRJVIKZ-UHFFFAOYSA-N 355.781 2.853 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1ccc(-c2cncc(N)n2)cc1 2356138080 HEDBOYKALUVYDT-LJQANCHMSA-N 362.433 2.922 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cccnc2N)C[C@H]1NC1CCCC1 2356170771 FYSCLBVRCFKBRU-KFKAGJAMSA-N 374.529 2.776 0 50 FFAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 4778344 BIJMSBDCSWOLPO-UHFFFAOYSA-N 354.815 2.557 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C)cc2)cc1 4810633 AUEMSDSUELHBBG-UHFFFAOYSA-N 360.479 2.542 0 50 FFAA CC(C)(C)OC(=O)NCCNc1nc(-c2ccccc2)ncc1C(=O)O 105640884 IWXVLFIHZIRJRL-UHFFFAOYSA-N 358.398 2.778 0 50 FFAA CCn1ncnc1CN1CCN(c2ccc3cc(Cl)ccc3n2)CC1 65383181 QPUDKEWMGZHNOQ-UHFFFAOYSA-N 356.861 2.822 0 50 FFAA Cc1cc(C)c2c(C(=O)NCCc3cc(=O)[nH]c(C)n3)cc(C)nc2c1 63855514 YBJRSBUMWHBITN-UHFFFAOYSA-N 350.422 2.524 0 50 FFAA COc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)cc1 20249274 KWFGORORCUSGKF-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA O=C(/C=C/c1ccccc1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67694520 SKDWQFUFVTYQQV-WMHOYKDJSA-N 351.402 2.806 0 50 FFAA Cc1ccc(-c2nnc(CNCc3csc(-c4ncccn4)n3)o2)n1C 65424889 TTXAVRZQSUTBOZ-UHFFFAOYSA-N 367.438 2.587 0 50 FFAA C[C@H](NC(=O)CN1CCCN2CCC[C@H]2C1)c1ccc2c(c1)CCCC2 248379681 NPAVUURFPOMRAG-UWJYYQICSA-N 355.526 2.913 0 50 FFAA CCCNC(=S)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 17073527 HIXJEIDBVWRCMO-UHFFFAOYSA-N 355.529 2.804 0 50 FFAA CCCCn1ncc(C)c1NC(=O)c1cccc(CN2CC[C@H](O)C2)c1 65395328 DUGHHBNBNKECNL-SFHVURJKSA-N 356.470 2.811 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CCCNC3=O)CC2)c1 67817926 LKRDHUMFXPSECS-KRWDZBQOSA-N 366.465 2.617 0 50 FFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3ccccn3)CC2)cn1 328621770 ATUXDFCHEBEJFD-SFHVURJKSA-N 367.497 2.968 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)/C=C/c3ccc(C)cc3)CCO2)cn1 328618379 DSGXTBJLAWMBIF-VEGGFIAOSA-N 361.467 2.585 0 50 FFAA c1cn(-c2ccc(N3CCCCCC3)nc2)c(-c2cc3n(n2)CCNC3)n1 72439111 RYMAHBUCINJCBA-UHFFFAOYSA-N 363.469 2.614 0 50 FFAA COC(=O)c1[nH]c2ccc(F)cc2c1/C=C1/OC(=O)c2c1cc(C)[nH]c2=O 6668696 GVCGFRUAMLLTBC-VGOFMYFVSA-N 368.320 2.759 0 50 FFAA O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc2nc(S)oc2c1 151200140 GGDXNPSMXBYIMR-AWEZNQCLSA-N 359.451 2.780 0 50 FFAA CCc1ccc(O)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1 480076229 VRTUAMNFWGPKIS-SFHVURJKSA-N 366.417 2.950 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3ccc4nonc4c3)cn2)c1 72447426 YTFCEZLMQUNCDK-UHFFFAOYSA-N 363.377 2.689 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC([C@H](O)c2ccccn2)CC1 219077940 PLUYRCKNKMKRMA-NRFANRHFSA-N 364.449 2.863 0 50 FFAA CC1CCN(C(=O)COc2ccccc2CN(C)Cc2ccn[nH]2)CC1 214982277 OZPVWDWRXIYICM-UHFFFAOYSA-N 356.470 2.679 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2=O)cc1 72133419 KYTMEACLDSUVJD-UHFFFAOYSA-N 357.523 2.963 0 50 FFAA CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCC(=O)N1CC1CC1 71767690 NSVJJBNYJLMQQV-SFHVURJKSA-N 358.482 2.927 0 50 FFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 238086571 WNDXBWCTVHSGEQ-IBGZPJMESA-N 352.434 2.708 0 50 FFAA C[C@@]1(CNC(=O)NCc2cnn3ccccc23)OCCc2sccc21 378089307 DORXUPLESCFEIR-SFHVURJKSA-N 356.451 2.683 0 50 FFAA Cc1nc([C@H]2CCCN2Cc2ccccc2OCCn2ccnc2)n[nH]1 216158658 ATXSNSFBFGPPOP-QGZVFWFLSA-N 352.442 2.726 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2c(C)nn(C)c2C)[C@H](C)C1 72435249 LEKUSIYDQXAUQI-OAHLLOKOSA-N 370.497 2.715 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)CCc3cc(Cl)no3)CC[C@H]21 72425615 RJHHUFNXPJGIPF-GXTWGEPZSA-N 353.850 2.510 0 50 FFAA CC(C)[C@@H](Oc1ccccc1)C(=O)N1CCc2c(ncnc2N(C)C)C1 71764084 XGKFWKHBWVGBET-GOSISDBHSA-N 354.454 2.531 0 50 FFAA Cc1ccc2nc(CNC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)cn2c1 284459428 HHNZHQKKUFHVAX-OXJNMPFZSA-N 352.486 2.549 0 50 FFAA Cc1cccn2c(CC(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)cnc12 82120878 QPVFOPRFLOUYAZ-FQEVSTJZSA-N 362.477 2.700 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2ccc3oc(C)cc3c2)C1 223761778 SUFPNTBYSJNUJP-GASCZTMLSA-N 354.410 2.521 0 50 FFAA OC[C@H](O)c1cc2n(n1)CCCN(Cc1ccc(OC3CCCC3)cc1)C2 221369554 CYXGWTJOJSOLFL-NRFANRHFSA-N 371.481 2.636 0 50 FFAA C[C@@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426618381 QYEMBSRZWNDIBS-HNNXBMFYSA-N 364.449 2.680 0 50 FFAA CC[C@H](NC(=O)N(C)CC1(CO)CCOCC1)c1nc2ccc(C)cc2[nH]1 426667488 NMXVRJUWIMUOTH-HNNXBMFYSA-N 374.485 2.753 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)s1 97757796 SITLSWFPXCEACS-UHFFFAOYSA-N 361.467 2.776 0 50 FFAA O=C1CC2(CCCCC2)CN1CC(=O)N1CCCC[C@H]1CCn1cccn1 95513234 ARCMMXTWRKLOMM-SFHVURJKSA-N 372.513 2.837 0 50 FFAA COc1ccccc1CN(C(=O)Cn1nccc1[C@@H]1CCCNC1)C1CC1 426582890 UNXNTEPWYOJOMU-MRXNPFEDSA-N 368.481 2.550 0 50 FFAA COc1ccc([C@H](NC(=O)N2CCCN(C)CC2)c2ccncc2)cc1 426377985 LNCIOLUARMTEBM-IBGZPJMESA-N 354.454 2.527 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)C1 95366624 GYBXSLMGERDXFD-UHFFFAOYSA-N 363.417 2.686 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2cn3ccsc3n2)c1C 426369119 FREVKAWGULMJDD-JTQLQIEISA-N 359.455 2.679 0 50 FFAA CC1=C[C@H](c2ccccc2)n2nc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)nc2N1 239402671 QYOZLEKFBWXXNT-BZUAXINKSA-N 363.421 2.876 0 50 FFAA O=C(NC[C@H]1CCS(=O)(=O)C1)Nc1ccccc1OCc1ccccc1 95508566 UUBLETHBZWHVRW-MRXNPFEDSA-N 374.462 2.822 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95381905 XCIOMWVDTJGSHE-MRXNPFEDSA-N 366.465 2.641 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2cccc(O)c2)CC1 91416818 CTFHSBMKBUCAHP-UHFFFAOYSA-N 366.469 2.628 0 50 FFAA CC(C)N1CCC[C@@H](C(=O)NCCc2csc(-c3ccncc3)n2)C1 95509138 LIKYRVIAFOEFOI-MRXNPFEDSA-N 358.511 2.984 0 50 FFAA COc1ccccc1[C@@H](C(=O)O)N1CCC(OCc2cccnc2)CC1 95389129 JUBIBUWQKNGXTO-IBGZPJMESA-N 356.422 2.897 0 50 FFAA CN(Cc1cc(O)c2cccc(Cl)c2n1)C1CCS(=O)(=O)CC1 92028187 DUOSVULZPLJEHI-UHFFFAOYSA-N 354.859 2.603 0 50 FFAA Cc1cc(C)c([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c(C)c1 95366465 VERUITAEFFSVFY-FQEVSTJZSA-N 353.466 2.950 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(CCc2ccccc2)CC1 95388225 RVHQOWGFOSOJED-SFHVURJKSA-N 354.498 2.954 0 50 FFAA COCCCN1CCC[C@]2(CCN(c3nc(-c4ccccc4)no3)C2)C1=O 91657301 UPJZKORNLXFARB-HXUWFJFHSA-N 370.453 2.592 0 50 FFAA O=C(CCN1CCC([C@@H](O)Cc2ccccc2)CC1)Nc1nccs1 244734387 NEPYQMRMROLOCF-KRWDZBQOSA-N 359.495 2.787 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CCC(CCn3cccn3)CC2)cc1 244899761 ZPQBRAZAFNDXQK-UHFFFAOYSA-N 354.498 2.952 0 50 FFAA COc1nc(C)c(C(=O)N[C@H]2C[C@@H](c3cc(O)nc(C4CC4)n3)C2)s1 253535779 QBIOLLWLQUPDHU-PHIMTYICSA-N 360.439 2.509 0 50 FFAA O=C(NC[C@@H](c1ccccc1F)N1CCCC1)NCC1(O)CCCCC1 534666955 REVYVVYOCPDKDS-SFHVURJKSA-N 363.477 2.957 0 50 FFAA O=C(c1cccc(-c2ccncc2F)c1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 299776977 IYCJJNNSIACDEZ-PMACEKPBSA-N 369.440 2.559 0 50 FFAA Cc1cc(=O)cc(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1C 299766742 KYBPIOIITZMLIJ-UHFFFAOYSA-N 367.493 2.678 0 50 FFAA O=C1C[C@@H](c2ccccc2O)c2c(O)nc(N3CCCCCC3)nc2N1 828323388 RBWFQYWMFRVXDR-ZDUSSCGKSA-N 354.410 2.742 0 50 FFAA Cc1cc(C(=O)NCc2csc(-c3cnccn3)n2)c2c(C)noc2n1 825277441 VJHLEXQWKDDIFL-UHFFFAOYSA-N 366.406 2.683 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CC(=O)NC2CC2)cc1 828053602 QMXQCBQZWVYVHA-UHFFFAOYSA-N 362.433 2.955 0 50 FFAA O=S(=O)(Cc1ccccc1F)NCc1nncn1C1CCCCC1 826626738 RVYNARCIAJHGPT-UHFFFAOYSA-N 352.435 2.542 0 50 FFAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 828133665 MLMMDHUAVVAYAY-SJORKVTESA-N 355.438 2.700 0 50 FFAA Cc1sc(=O)n(CC(=O)N[C@H]2CCNC3(CCC3)C2)c1-c1ccccc1 1353948258 DXPCWXZIWNQPMY-INIZCTEOSA-N 371.506 2.676 0 50 FFAA O=C(CCn1cc(Cl)cn1)N[C@@H](CO)c1cccc(Br)c1 271286571 HIOYMOZANOUNCC-ZDUSSCGKSA-N 372.650 2.539 0 50 FFAA CCC1(CC)CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 170600921 NUEWAESGGHNOBV-MGPUTAFESA-N 363.502 2.916 0 50 FFAA COc1ccc([C@@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)c(OC)c1 170620220 QGZUUTCSUJDGPJ-KRWDZBQOSA-N 360.435 2.815 0 50 FFAA CCOC1CC(CCNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1 190059545 CWJSPNXSGPLHSK-UHFFFAOYSA-N 357.454 2.912 0 50 FFAA Cc1cc(O)nc([C@H](C)N2CCCN(C(=O)c3ccccc3F)CC2)n1 192528834 OFSSDEPFMOXYLM-AWEZNQCLSA-N 358.417 2.539 0 50 FFAA CC(C)Cc1nnc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)o1 192627244 YCAJSWVXWJTKHR-UHFFFAOYSA-N 351.428 2.782 0 50 FFAA CN(C[C@H]1CCCO1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 193611008 OVTWUDPCHPXOLL-MRXNPFEDSA-N 360.841 2.801 0 50 FFAA Cc1cccc(OCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)c1C 1529187559 VAXIXWLZLMRREH-TZIWHRDSSA-N 355.434 2.643 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc3c(C)nn(C)c3c2)c1 1468300226 LLGPZQSIFNYOME-UHFFFAOYSA-N 350.378 2.964 0 50 FFAA CCC[C@H]1CN(C(=O)c2cc(OC)nc3ccccc23)C[C@@H]1NC(C)=O 213136361 DEKNTAMSXQLMPN-KSSFIOAISA-N 355.438 2.620 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1C(=O)O 216757239 GCOPAYGGZOFDPL-SJORKVTESA-N 351.406 2.603 0 50 FFAA COCC(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccc3C(=O)OC)c2O1 12042151 NNKIIUFPZLSOHF-HNNXBMFYSA-N 369.417 2.515 0 50 FFAA COc1ccc(Cn2cc(C(=O)N[C@@H](C)Cc3ccsc3)nn2)cc1 12073678 GQMXGYJLRKLBKL-ZDUSSCGKSA-N 356.451 2.758 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(S(=O)(=O)C(C)C)C3)C2=O)c1 12465176 HRGDXJWEOHYZDO-LJQANCHMSA-N 364.511 2.548 0 50 FFAA CN1CCN(C(=S)NC(=O)c2sc3ccccc3c2Cl)CC1 19860633 SPCLYQMLOCZTQV-UHFFFAOYSA-N 353.900 2.817 0 50 FFAA COc1ncccc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857676862 UPLMHHVZUWVORN-CDXJDZJCSA-N 352.434 2.689 0 50 FFAA Cn1c(C(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc2ccc(Cl)cc21 1857715064 ZLQUPMMQQCEJBO-BXWFABGCSA-N 373.884 2.813 0 50 FFAA CCCc1cc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)n[nH]1 1857727218 MXHZCQVXTAFCHC-NVXWUHKLSA-N 363.502 2.923 0 50 FFAA Cn1c(C(=O)N2CCO[C@H](Cn3cccn3)C2)c(Cl)c2ccccc21 111077810 HPKHEUZLPNBSLH-ZDUSSCGKSA-N 358.829 2.569 0 50 FFAA CCCCC[C@H](O)/C=C/[C@@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)O 248254793 KJYIVXDPWBUJBQ-YWDKXGSBSA-N 368.470 2.978 0 50 FFAA C[C@H](NC(=O)N1CCOC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 136968413 QSYBZJLRUGLBJC-ZDUSSCGKSA-N 370.396 2.940 0 50 FFAA COc1ccc([C@@H](NC(=O)C2CC=CC2)C(=O)O)cc1Br 263049092 PUZNSKOTOKNKMY-CYBMUJFWSA-N 354.200 2.666 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 876298723 ADGJRVMJMGNUPL-ZDUSSCGKSA-N 373.453 2.796 0 50 FFAA O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCNC[C@H](CO)C1 1875304331 HIRPQFYOUYCTQS-QFIPXVFZSA-N 366.505 2.518 0 50 FFAA C[C@H](NC(=O)CN1C(=O)CC2(CCC2)CC1=O)c1cc2ccccc2o1 1875304394 JFPCFBRQMXROCN-ZDUSSCGKSA-N 354.406 2.929 0 50 FFAA O=C(N[C@@H]1CCN(c2ncccn2)CC12CCC2)c1cnc(C2CC2)o1 1875404929 CQQYGDOUVXDZSS-OAHLLOKOSA-N 353.426 2.521 0 50 FFAA CCc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3cccc(C(F)(F)F)n3)C2)n[nH]1 888097736 NQASYDUQILRNPC-HBNTYKKESA-N 355.364 2.748 0 50 FFAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 2325860966 AGNWBPAHMADLER-BZUAXINKSA-N 351.233 2.768 0 50 FFAA CC[C@@H]1C[C@H]1C(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867851 HKUQJFBSYVFDDM-CZUORRHYSA-N 359.470 2.543 0 50 FFAA CC[C@@H](C)C(=O)N(C)[C@@H](C)CCNC(=O)c1ccc2c(c1)NC(=O)CC2 2325868948 REQQACLJACPRFA-KGLIPLIRSA-N 359.470 2.584 0 50 FFAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccccc1C(=O)N1CCCC1 904283706 XAKDXIHFLBLOGO-RTBURBONSA-N 364.449 2.669 0 50 FFAA COCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2254353 VNOFYGGJZCEPAH-UHFFFAOYSA-N 367.453 2.876 0 50 FFAA in-vitro O[C@@H]1CCN(c2nccn3c(-c4cccc(OC(F)(F)F)c4)cnc23)C1 2356143149 WKFDPTLZDAJHRW-GFCCVEGCSA-N 364.327 2.866 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2ccncc2OC)cc1 2356143283 BKCVVDOROJEPSV-CYBMUJFWSA-N 351.410 2.860 0 50 FFAA O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)NC2CC2)s1 2998906 FJJOKXXYKCZDGE-RMKNXTFCSA-N 360.464 2.561 0 50 FFAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc1 4121940 WIKOZLKAJDFIFU-OAHLLOKOSA-N 350.440 2.619 0 50 FFAA CCc1ccc(NC2=N[C@@H](c3cccnc3)n3c(nc(C)cc3=O)N2)cc1 4973730 JTFGMIQKVCAXSG-GOSISDBHSA-N 360.421 2.950 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CCO 104351020 MIXDYYNRYQXAHV-OAQYLSRUSA-N 374.504 2.926 0 50 FFAA Cc1ccc(N2CCC[C@H](N3CCN(c4cncc(F)c4)CC3)C2=O)cc1 225523758 SSDRRZBDNBOIOC-FQEVSTJZSA-N 368.456 2.847 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 8703292 OJJIYVUWHGDEEP-UHFFFAOYSA-N 365.886 2.742 0 50 FFAA CCc1c(C)sc2ncnc(N3CCN(Cc4ccc(CO)o4)CC3)c12 65397431 KIEXTOWWUDDGNR-UHFFFAOYSA-N 372.494 2.970 0 50 FFAA CN1CCC2(CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)CC1 67833729 RQJLZTWJLRJYSM-UHFFFAOYSA-N 353.470 2.810 0 50 FFAA COc1ccc(-n2cccn2)c(-c2c(-c3ccccc3)ncn2CC(N)=O)c1 65383901 CCEHHCMRBQBKTI-UHFFFAOYSA-N 373.416 2.897 0 50 FFAA CCOc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1OCC 135434122 XDEMPLLHFOMRKJ-UHFFFAOYSA-N 361.486 2.864 0 50 FFAA Cc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3F)CC2)C1=O 20513128 XBWDTPUGZNZNOJ-LJQANCHMSA-N 367.424 2.588 0 50 FFAA O=C(c1cnn2cc[nH]c12)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67588225 OHPJYSNYVXGSSV-UHFFFAOYSA-N 374.448 2.996 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1C 67602023 RFXMQQUPOKSZQR-QGZVFWFLSA-N 352.500 2.624 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc(CO)cc3)CC2)OC1=O 72410933 VAKLABSBTAOAHA-HNNXBMFYSA-N 360.454 2.795 0 50 FFAA CCO[C@H](CC)CNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 71779861 ZEKSYRUZVDRXTB-MRXNPFEDSA-N 369.469 2.670 0 50 FFAA CCc1cnccc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328622580 IMOJFPGWGMNYNB-QGZVFWFLSA-N 366.465 2.933 0 50 FFAA Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)s1 328637812 OVPMVRJBQHZKHL-MRXNPFEDSA-N 360.527 2.991 0 50 FFAA COc1cc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc2c1OCO2 328654414 XKFJBNVSIHYLKJ-LPHOPBHVSA-N 355.438 2.602 0 50 FFAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCc2[nH]nc(C3CCC3)c2C1 32553358 WXHBRUXMNLHRMB-UHFFFAOYSA-N 374.444 2.747 0 50 FFAA CCc1oc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1CN1CCCC1 71747491 QOLGUSLJXWQWGN-UHFFFAOYSA-N 373.497 2.665 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71749773 ACFHOROEBIJULP-DUXKGJEZSA-N 373.460 2.660 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2ncccn2)[C@H]1c1ccc(Cl)c(Cl)c1 364665333 VYKZFRWEDQVORQ-IINYFYTJSA-N 365.220 2.942 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2ncccn2)[C@@H]1c1ccc(Cl)c(Cl)c1 364665331 VYKZFRWEDQVORQ-HZMBPMFUSA-N 365.220 2.942 0 50 FFAA Cc1noc(C2CC2)c1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O 154118511 BTFOARLBWOLJMR-UHFFFAOYSA-N 350.378 2.967 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)no1 363086761 HSAIAYODJMALCD-INIZCTEOSA-N 354.414 2.701 0 50 FFAA CCN1CCN([C@H](C)CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)CC1 32594172 GWMCXHWOEWPPEQ-QGZVFWFLSA-N 370.497 2.714 0 50 FFAA CCc1cc(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n2nc(C)c(C)c2n1 72439591 WSRDFWJHIDTHCZ-HNNXBMFYSA-N 366.469 2.684 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCC(=O)O)C[C@H]1CCCO1 237699768 ZHVJLBHNHNUPLA-CQSZACIVSA-N 362.401 2.640 0 50 FFAA O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccnc(C(=O)O)c1 261798155 LOSSWBQOTWCIQU-IAGOWNOFSA-N 356.378 2.714 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 238006143 REZSKHYSWVEUOC-OAHLLOKOSA-N 363.429 2.977 0 50 FFAA CCc1nc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n[nH]1 157500255 MAQWLROEJOYWBB-UHFFFAOYSA-N 368.268 2.632 0 50 FFAA COC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 262342186 SWAKSVCDSJTDLT-GFCCVEGCSA-N 359.373 2.665 0 50 FFAA CSc1ncccc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72146814 YCEJPJVRICDRRG-UHFFFAOYSA-N 367.474 2.954 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)c1cc(C2CC(O)C2)ncn1 219384641 FTTKPPSKQVBIJK-UHFFFAOYSA-N 353.401 2.676 0 50 FFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)n1 288715598 DQHBCINZLDTCJO-GUYCJALGSA-N 364.409 2.923 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1onc2c1CCCC2 426545450 RVTGVWLKPMFSGO-LBPRGKRZSA-N 359.813 2.742 0 50 FFAA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1onc2c1CCCC2 426439108 YGMRTEQHCLVGBZ-MRXNPFEDSA-N 351.410 2.706 0 50 FFAA CC(=O)N1CCC[C@@H](c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)C1 178351015 XYJWCAUPQWLTIV-CYBMUJFWSA-N 357.435 2.867 0 50 FFAA O=C(c1cc2ncc(CCO)cn2n1)N1CC[C@H](c2ccccc2Cl)C1 426555865 HPZQZUISQZPRBM-AWEZNQCLSA-N 370.840 2.547 0 50 FFAA Cc1nn(CC(=O)N2CC[C@@H]2c2ccc(F)cc2)c(=O)c2ccccc12 91548071 DESMOASJQJOARR-GOSISDBHSA-N 351.381 2.818 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(C2CCN(C(=O)c3cnccn3)CC2)C1 91460110 VMUPLTXJSUSSIK-OAQYLSRUSA-N 372.513 2.512 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)Nc1ccc2oc(=O)n(C)c2c1 95518484 TVFKECCFVAGRPI-UHFFFAOYSA-N 356.382 2.662 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](CO)C[C@H](CN(C)C)C2)c(-c2ccccc2)o1 91965191 UOOIPIDDDILPPV-SJORKVTESA-N 356.466 2.887 0 50 FFAA COc1ccc(CC(=O)N2CCCN(c3ccnc(C)c3)CC2)c(OC)c1 91650413 QWDJCYZXQXZWFA-UHFFFAOYSA-N 369.465 2.689 0 50 FFAA COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 95385101 XGHQGNSXVIHRMS-CRAIPNDOSA-N 369.440 2.966 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n(C)n1 95373903 NFBOICXRNVDIDH-DFQSSKMNSA-N 368.456 2.570 0 50 FFAA COc1ccc(CN2CCC2)cc1OC[C@H](O)CN1CCCCCCC1 95517954 WVXXAXXFUBQNQM-LJQANCHMSA-N 362.514 2.907 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](C)N2CCCCC2)C3)c1 96147911 PAECHIZQTDGOCG-HNNXBMFYSA-N 368.481 2.844 0 50 FFAA CCCc1nc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cs1 97323837 CTVBXGAAXOUXPJ-HNNXBMFYSA-N 363.483 2.800 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 245310092 HNXVNLIYTRBZOT-UAFMIMERSA-N 364.445 2.919 0 50 FFAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCC(N2CCSCC2)CC1 243892835 ALTMQHSLUFRPGM-UHFFFAOYSA-N 365.543 2.689 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(O)nc2cc(F)ccc12 253535508 XWJNZXIYTSPXRU-BLWXERESSA-N 367.380 2.717 0 50 FFAA O=C(CCCc1cccs1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940195395 AHGVJVJLOVWCJU-CRAIPNDOSA-N 351.468 2.535 0 50 FFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NCc2cccnc2)C1 55054293 HNTHLZGYLJYBFR-GOSISDBHSA-N 367.497 2.636 0 50 FFAA COCCN1C[C@@H](CN(C)Cc2csc(-c3ccccc3)n2)CC1=O 299780470 JWBHBTLETIMIRV-OAHLLOKOSA-N 359.495 2.737 0 50 FFAA Cc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c(F)c1 299783045 XOZJKXWAVDHESR-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCCN1CCC(c2ccccc2)CC1 299789361 YGRKXVRTZCCNFY-UHFFFAOYSA-N 369.465 2.939 0 50 FFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2ccsc2)c1=O 824396484 PNNKTNMKSXPWKR-CQSZACIVSA-N 365.451 2.655 0 50 FFAA O=C(CCC1=NNC(=O)CC1)NCC[C@@H]1CCCCN1Cc1ccccc1 827816292 XWBQIPGGLCJUPN-IBGZPJMESA-N 370.497 2.594 0 50 FFAA CC(=O)Nc1ccc(C)cc1NC(=O)c1coc(CN2CCOCC2)c1 952988189 PQMNVJFCHJFGQD-UHFFFAOYSA-N 357.410 2.631 0 50 FFAA O=C(NCC1CCN(c2ccc(-c3ccccc3)nn2)CC1)[C@@H]1CCOC1 952985096 BORADVXEDAMVAE-GOSISDBHSA-N 366.465 2.513 0 50 FFAA Cc1nc([C@@H]2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)n[nH]1 269097514 PCUODVCWLGWJLP-OAHLLOKOSA-N 361.453 2.838 0 50 FFAA C[C@]1(O)CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 408299866 WPFHZYWMSWAXPU-LRDDRELGSA-N 358.269 2.738 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCO[C@@]2(CCO[C@H]2C)C1 280577776 VWPZQDFHGHPJGC-DEYYWGMASA-N 352.862 2.855 0 50 FFAA CCO[C@@H]1C[C@@](NC(=O)Cc2c[nH]c3c(C)cccc23)(C(=O)O)C1(C)C 193050722 YRSHCWJFLMKTIB-FOIQADDNSA-N 358.438 2.793 0 50 FFAA CCN(C)S(=O)(=O)NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 744240490 IVELYBKGDJUFAC-UHFFFAOYSA-N 367.496 2.860 0 50 FFAA Cc1ccc(CN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)C2CC2)s1 1529168080 VFEAVFRMRVPUHE-MOPGFXCFSA-N 370.474 2.804 0 50 FFAA O=C(NCC[C@H]1C[C@@H](O)C1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772809337 STJGZVKYOKCTHS-YUELXQCFSA-N 357.479 2.587 0 50 FFAA Cc1cc(C(=O)N(CC2CCN(C3CCCC3)CC2)C[C@H]2CCCO2)n[nH]1 11661339 ODIHRSOWEUWXEM-LJQANCHMSA-N 374.529 2.994 0 50 FFAA COC[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)C1 12055694 KORLKELESKQOPA-DYVFJYSZSA-N 350.846 2.912 0 50 FFAA CC(C)CCN[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14540027 WVWXHPOIUWCCPE-AWEZNQCLSA-N 360.527 2.905 0 50 FFAA CCN1C(=O)N(CCC(C)C)C2(CCN(CCCSC)CC2)C1=O 14740621 FWXSGRUQXYAUQN-UHFFFAOYSA-N 355.548 2.904 0 50 FFAA CC(=O)NCCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 14965474 XHOYIHCXSXRZDZ-KRWDZBQOSA-N 368.481 2.837 0 50 FFAA COc1ccc(CNC(=O)C2CCN(C(=O)[C@]3(C)CCCCO3)CC2)cc1 19114206 KQNMYLVHDXTGRQ-NRFANRHFSA-N 374.481 2.509 0 50 FFAA O=C(N[C@@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1cccs1 19316250 IIFFDZWFGUEOLB-LDYMZIIASA-N 357.690 2.943 0 50 FFAA COc1ccc(OCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1 19787403 NADWULVWGLBRMR-UHFFFAOYSA-N 354.450 2.727 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3cnsc3)C[C@]23CC[C@H]1O3)c1ccccc1 1857723801 XMZCZGWUEJFJOL-JRBPQWBISA-N 369.490 2.553 0 50 FFAA CCC[C@]1(CO)CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@@H]1O 1875248725 JSJHIESJXCZZLE-WMLDXEAASA-N 373.419 2.724 0 50 FFAA Cc1cc(=N[C@@H](C)C2(S(C)(=O)=O)CC2)c2cc(OC(F)F)ccc2[nH]1 328592906 OTMKAKSPAUHNCY-NSHDSACASA-N 370.421 2.944 0 50 FFAA Cc1nc(N[C@@H]2CCCN(c3nccnc3O)C2)c2c(C)csc2n1 328622233 IHQVNOVIZUWXDL-GFCCVEGCSA-N 356.455 2.885 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC1CCC(CN(C)C)CC1 129423489 PZIHKRMVJPDYJU-UHFFFAOYSA-N 359.499 2.759 0 50 FFAA CN(C[C@H](O)C1CC1)C(=O)c1c[nH]nc1-c1cccc(OC(F)F)c1 150836452 GGWKENXAYMKUNK-AWEZNQCLSA-N 351.353 2.521 0 50 FFAA O=C(O)[C@@H]1CCCN1Cc1nc(-c2ccc(Br)s2)no1 262625255 FYEYYLPVJZHLAK-ZETCQYMHSA-N 358.217 2.610 0 50 FFAA CC(C)(C)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)nc1 817714351 RABZUHBIVHMHQV-UHFFFAOYSA-N 350.415 2.778 0 50 FFAA COc1ccc(C2(NC(=O)c3cc(C(F)F)[nH]n3)CCOCC2)cc1 900481696 DCLAVTSNRTYSSK-UHFFFAOYSA-N 351.353 2.792 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC1CCN(c2ccccn2)CC1 858007911 DBKHJEOCEYZUDV-QFBILLFUSA-N 355.486 2.541 0 50 FFAA Cn1ncc(CNC(=O)c2ccnc3[nH]c(CC4CC4)nc23)c1C(F)F 1875297811 DTNDTMXBXWJIMQ-UHFFFAOYSA-N 360.368 2.512 0 50 FFAA Cc1ncnc2c1C[C@@H](C(=O)N1CCCN3c4ccccc4C[C@H]3C1)CC2 1875294952 YZDMOKPYDOIUJJ-ROUUACIJSA-N 362.477 2.554 0 50 FFAA CNC(=O)[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 1875253753 ARAMMVZONCHOEX-DXRVJIQQSA-N 351.431 2.913 0 50 FFAA CN1CCO[C@@H](c2nc(-c3cccnc3O)n(C3CCCCCC3)n2)C1 1875347324 KZSZFMLLIYPXJM-MRXNPFEDSA-N 357.458 2.944 0 50 FFAA C=CC(=O)NCCC(=O)N[C@@H](C(C)C)[C@@H](O)c1cccc(C(F)(F)F)c1 1875365832 OLKFGYPJJOOFCF-IRXDYDNUSA-N 372.387 2.572 0 50 FFAA CN(C(=O)c1cc([C@@H]2CCCN2)nn1C)c1nnc(-c2ccccc2)s1 2325799389 SETDEBOIYYGGOH-ZDUSSCGKSA-N 368.466 2.640 0 50 FFAA CC1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 1225451 QIKKPSGTXXAHGI-CQSZACIVSA-N 351.244 2.813 0 50 FFAA CCn1ccc(CN2CC[C@@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)n1 2356134767 BJPZBAHUIGGVCB-TZIWHRDSSA-N 371.481 2.564 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 2881810 XYLMJOUINNHELZ-INIZCTEOSA-N 360.479 2.774 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnn(-c4ccccn4)c3C)C[C@H]21 2356152583 QBHOYFAZINCLCN-VPWXQRGCSA-N 354.454 2.589 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 3145539 FCMBDUSHHCXOIX-GOSISDBHSA-N 366.373 2.744 0 50 FFAA Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 4192837 NPDQTMROOATGIZ-KRWDZBQOSA-N 357.431 2.718 0 50 FFAA CC(C)c1nnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1 4731556 BXGGNWBQXDYEIK-UHFFFAOYSA-N 353.469 2.605 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 4749305 MKTQWEILLANZID-KBPBESRZSA-N 350.846 2.880 0 50 FFAA O=C(c1c[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 22233954 ATSQLWNDTFZBMB-UHFFFAOYSA-N 351.381 2.630 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Oc1ccc2ccccc2c1 100997262 BTZIDJQRUXBZIL-FVCZOJIISA-N 361.397 2.942 0 50 FFAA Cc1cc(C)n(C)c(=O)c1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 67714100 BPEQYSAFHMOOQQ-HXUWFJFHSA-N 369.396 2.898 0 50 FFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 117557114 WUQXKXXSJLZDKD-GOSISDBHSA-N 366.396 2.684 0 50 FFAA O=C1CN([C@@H](C(=O)O)c2cccc3c2Sc2ccccc2S3)CCN1 63869900 JASFTGYYXCMUDU-MRXNPFEDSA-N 372.471 2.860 0 50 FFAA CCN(C(=O)c1cn2c3c(cccc3c1=O)CC2)[C@@H]1CCOC(C)(C)C1 65459556 FLWAHLMOMFYGQU-OAHLLOKOSA-N 354.450 2.977 0 50 FFAA CCc1nc(CN(C)C(=O)c2cc(-c3cn[nH]c3)nc3ccccc23)no1 67654321 OPEFNCTUWGEYEC-UHFFFAOYSA-N 362.393 2.843 0 50 FFAA O=C(NC[C@@H](O)c1cccnc1)Nc1nnc(CCc2ccccc2)s1 23505948 YGOOFIFOYOXHLW-OAHLLOKOSA-N 369.450 2.573 0 50 FFAA C[C@@H](c1ccncn1)N(C)Cc1ccc(C(=O)Nc2cnns2)cc1 65528861 CULNAOSVYPADFA-LBPRGKRZSA-N 354.439 2.773 0 50 FFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 128402434 APUXTMVCVQHMOQ-QGPMSJSTSA-N 350.434 2.594 0 50 FFAA CCC[C@H]1C(=O)NCCN1C(=O)c1sc(-c2ccc(F)cc2)nc1C 122114019 ATXBLVLMMMWTJT-AWEZNQCLSA-N 361.442 2.998 0 50 FFAA CC(=O)N(C)c1nc(-c2nc3cc(Br)cnc3[nH]2)cs1 122778304 CBVTZAXEONIPCE-UHFFFAOYSA-N 352.217 2.827 0 50 FFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ncnc2c1cnn2C(C)(C)C 328621260 HQKCZTGFDZTUTL-SWLSCSKDSA-N 355.446 2.505 0 50 FFAA C[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 172343425 MYCODNNNUNONCP-OAHLLOKOSA-N 369.440 2.820 0 50 FFAA Cc1ccsc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219739137 DLTDUPYDVDGDGO-HZPDHXFCSA-N 367.492 2.709 0 50 FFAA Cn1c(=O)c2ccccc2n2c(SCCCCC3(C)OCCO3)nnc12 253432513 KVRNEWDQHQMWMQ-UHFFFAOYSA-N 374.466 2.607 0 50 FFAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)CC1=CCCCC1)C2 14541055 HTZIIYJZKOLNGF-UHFFFAOYSA-N 370.497 2.868 0 50 FFAA CC[C@@H](C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 236954893 ARHMVXVMXOGXJD-ZIAGYGMSSA-N 359.344 2.901 0 50 FFAA Cc1ccc(C(=O)C2CCN(CC(=O)NCc3cccnc3)CC2)cc1 363396152 QFJDQYGBDWKZOH-UHFFFAOYSA-N 351.450 2.601 0 50 FFAA Cc1ccccc1-n1nccc1NC(=O)N1CC[S@@](=O)C(C)(C)CC1 333874112 PZRUHSDUZYXTMQ-RUZDIDTESA-N 360.483 2.946 0 50 FFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1csc(CN)n1 237534595 DCAUZRNRNKDNLB-QMTHXVAHSA-N 351.859 2.857 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ncn(-c2ccccc2)n1 156130784 ZJLIUILYKHDZIJ-MRXNPFEDSA-N 350.426 2.595 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(C2Cc3ccccc3C2)CC1 215243991 WBALDNVGXWXCAG-UHFFFAOYSA-N 358.917 2.921 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1csc(-c2ccc3c(c2)OCCO3)n1 237972867 GAZAQVVHDYJYGE-PBWFPOADSA-N 371.462 2.594 0 50 FFAA CN(C(=O)c1ccc2nc(S)oc2c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 129824554 QSLZAEORGQCJSO-TZMCWYRMSA-N 368.480 2.544 0 50 FFAA CC(C)S(=O)(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 15075840 LBOZUFNNOKFAIK-GOSISDBHSA-N 356.532 2.619 0 50 FFAA CN(C)C[C@@]1(O)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 72144393 JSYGYUDFGIJPQT-QGZVFWFLSA-N 358.404 2.553 0 50 FFAA O=C(c1csc(-c2cccs2)n1)N1CCC(N2CCOC2=O)CC1 82098093 XYFAKNXZLKCZCU-UHFFFAOYSA-N 363.464 2.928 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)c1cc(C2CC(N)C2)nc(N)n1 223826057 SXUWXCGIXHFAKA-UHFFFAOYSA-N 351.376 2.919 0 50 FFAA Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3nccs3)nc2s1 44891345 FAKIJBZBUMXLGO-UHFFFAOYSA-N 352.466 2.621 0 50 FFAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)o1 82087748 LRIRRKAMPBGDNF-FQEVSTJZSA-N 356.470 2.758 0 50 FFAA CC(=O)N[C@@H](c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1)C1CCCC1 288962428 LGPUQVKQIJRMFE-QGZVFWFLSA-N 368.437 2.996 0 50 FFAA CN(C)c1ccccc1-c1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 426640356 GDWSKPTUBQVEQT-KRWDZBQOSA-N 351.450 2.757 0 50 FFAA CSc1ncc(CNC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)n1C 96162533 GUKGDSQFFJHSNN-GFCCVEGCSA-N 373.482 2.979 0 50 FFAA COCCN1C[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1=O 91596145 AMPPDJFNRXKLGV-LBPRGKRZSA-N 362.813 2.577 0 50 FFAA Cc1cc(CN2CCN(CCO)CC2)c(C)c(CN2CCC[C@H](C)C2)c1 230568494 VMCDALXNIFPPIC-SFHVURJKSA-N 359.558 2.645 0 50 FFAA COc1cc2c(cc1CNC(=O)c1cccc(N3CCNC3=O)c1)CCC2 96138068 LUWDPKSHIBFIBE-UHFFFAOYSA-N 365.433 2.644 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]2N(C)C)cc1 95352874 PXVSTVTXJZHLEB-VQTJNVASSA-N 366.461 2.800 0 50 FFAA Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)cs1 91656163 ZSQXBUKFJQURHU-LSDHHAIUSA-N 360.483 2.793 0 50 FFAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)CCCc2ccc(Cl)cc2)C1 92022391 HDNCZMCDEYGCGP-IAGOWNOFSA-N 352.906 2.681 0 50 FFAA CC1(C)CN(CC(F)(F)F)CCN1Cc1nc(N)c2ccccc2n1 181764009 HFGZRTPFIZLFTO-UHFFFAOYSA-N 353.392 2.671 0 50 FFAA C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)c2ccccc21 183173833 KGSOUQRKHKIZQK-HNNXBMFYSA-N 373.478 2.633 0 50 FFAA CCN(CC)[C@@H](CNC(=O)c1cnccc1N(C)C)c1cccc(OC)c1 183493330 VHECLVRUMBIBIL-FQEVSTJZSA-N 370.497 2.969 0 50 FFAA CN(Cc1ccoc1)Cc1cc2n(n1)CCCN(C[C@H]1CCCCO1)C2 257372130 YTAUPNUXCQJFPC-HXUWFJFHSA-N 358.486 2.883 0 50 FFAA Cc1c(-c2ccc(C(=O)NCCCn3ccnn3)cc2)cnn1C(F)F 534589079 NFPWMJMUQRQQKV-UHFFFAOYSA-N 360.368 2.665 0 50 FFAA CCOC(=O)C(=CNc1cc(C)nn1-c1ccc(C)cc1)C(=O)OCC 100918099 NCFILLSASWROHD-UHFFFAOYSA-N 357.410 2.911 0 50 FFAA CC(C)C[C@@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1cccnc1 299774614 HMTSCYAMULARRD-GOSISDBHSA-N 360.479 2.931 0 50 FFAA O=C(O)c1cc(I)cnc1NCc1ccccc1 40564606 RJBSKVHDPIZBGQ-UHFFFAOYSA-N 354.147 2.997 0 50 FFAA CC(C)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 299777570 NCZKLUQFIFADAK-IBGZPJMESA-N 364.461 2.552 0 50 FFAA COc1ccc(C[C@H](N)C(=O)Nc2cccc(CN3CCCC3)c2)cc1 824673656 RVDDQYRKSGHECE-FQEVSTJZSA-N 353.466 2.800 0 50 FFAA CCn1c([C@H]2CCc3c[nH]nc3C2)nnc1N1CCC[C@H](OC2CCC2)C1 1352725248 LZDPBNLUSBITDW-YOEHRIQHSA-N 370.501 2.832 0 50 FFAA Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1NC(=O)CN(C)C 952988839 LDMVBYQJXNTVIW-UHFFFAOYSA-N 351.410 2.624 0 50 FFAA O=C(c1ccc(CSc2nc[nH]n2)o1)N1CCO[C@@H](c2ccccc2)C1 952977871 PFOKBJMLMGGBHH-MRXNPFEDSA-N 370.434 2.904 0 50 FFAA CC(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1[nH]cnc1C)C2 1565528357 ZEGMYBBSTXXDKP-SJORKVTESA-N 366.465 2.657 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(N2CCCC2)nc1 275477307 ICRRDIMCJAWEEB-FXAWDEMLSA-N 355.486 2.766 0 50 FFAA Cc1cccc2c1O[C@@H](C(=O)NS(=O)(=O)c1ccc3c(c1)CCCC3)C2 408484610 MRCQGAKXHDSGLC-GOSISDBHSA-N 371.458 2.682 0 50 FFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(C(=O)c3ccccc3)CC2)cn1 189644972 HZQNSURKDGWEJV-HNNXBMFYSA-N 367.453 2.844 0 50 FFAA Cc1nc(C[C@H]2CCCN(C(=O)c3ccncc3C(F)(F)F)C2)no1 193078272 ORQHZNNKGDGFQW-LLVKDONJSA-N 354.332 2.887 0 50 FFAA COc1ccc(NC(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1615738465 ZCQNGHZQXYEJLK-ICSRJNTNSA-N 367.449 2.985 0 50 FFAA CCCC[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C(C)C)O1 1616072397 WAZZOJSOCGJAFZ-ROUUACIJSA-N 357.458 2.718 0 50 FFAA Cc1c(NC(=O)CN(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)cnn1C 1506400457 AFJVFSUXEZKVIO-CYBMUJFWSA-N 352.442 2.750 0 50 FFAA COc1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)c(Cl)c1OC 1529187672 XPYKGXVSRYYJPG-UKRRQHHQSA-N 366.845 2.689 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCCCC23CC3)[C@H]1c1ccccc1 1529154241 IHWANIOIGIWRTI-MOPGFXCFSA-N 356.466 2.909 0 50 FFAA OC1CCN(c2cc(N[C@@H]3CCCN(Cc4cccs4)C3)ncn2)CC1 1529100305 QEUHCYNFISOEMA-OAHLLOKOSA-N 373.526 2.576 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCCN(Cc2ncc[nH]2)CC1 1529098387 CWKGSXLVUYHHIE-UHFFFAOYSA-N 351.454 2.558 0 50 FFAA COc1ccc(OC)c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1 1128382 FDHUDJAUPAWNGF-MHWRWJLKSA-N 356.353 2.936 0 50 FFAA COc1cc2c(cc1CN1CCCN(C(=O)C3CCOCC3)CC1)CCC2 1800410833 BYXCJLYJGJYTGV-UHFFFAOYSA-N 372.509 2.645 0 50 FFAA COc1cc(-c2onc(NC[C@H](C)CN(C)C)c2C(=O)O)ccc1F 1704310136 PGADHKQPRQHKEI-JTQLQIEISA-N 351.378 2.797 0 50 FFAA O=C(c1cccnc1N[C@@H]1COC[C@H]1Cc1ccncc1)N1CCCCC1 1704350794 PDYYACJXNDDXPP-IEBWSBKVSA-N 366.465 2.772 0 50 FFAA COCCC(=O)N1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1 11956184 NREHFOWCLVIDDR-MRXNPFEDSA-N 354.450 2.845 0 50 FFAA CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(C)ccc2C)Oc2ccccc21 13677127 LYQNLMYUMVUUKM-SFHVURJKSA-N 374.462 2.859 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccccc3F)C2)nn1 14987043 CSQSLJYYKJIITC-MRXNPFEDSA-N 359.449 2.736 0 50 FFAA Cn1cc(C(=O)N2CCCC[C@H]2CN2CCCC2)c(=O)c2ccccc21 19147112 QVIWTLNXFKQSOU-INIZCTEOSA-N 353.466 2.629 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cc(-c2ccno2)cs1 1857670634 CNFNCGAPLHZCLC-BJJXKVORSA-N 368.480 2.717 0 50 FFAA Cc1ccc(O)cc1C(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857674861 AMLJWGMPFVZFGG-OAQYLSRUSA-N 366.417 2.590 0 50 FFAA O=C(c1ccncc1F)N1CCC(C2CCN([C@@H]3CCOC3)CC2)CC1 1857718649 YRGSXBMERIBNHJ-QGZVFWFLSA-N 361.461 2.574 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3cc(F)ccc3Cl)C[C@]23CC[C@H]1O3 1857726147 GSJMEIOYBTWBJA-BUIAKZPTSA-N 366.864 2.985 0 50 FFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC(N2CCCCC2=O)CC1 120495498 PYEJAYAZKOIQNT-LJQANCHMSA-N 373.497 2.889 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1 124775459 KQZVCZIQIKVESW-UHFFFAOYSA-N 356.378 2.777 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCNC1 333852113 NTNJEKVWNPMPCZ-OCCSQVGLSA-N 358.891 2.501 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)cc1OC 266919921 LNXNGIGWKQTZGN-UONOGXRCSA-N 358.442 2.634 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 861269134 LOUOTJSNSVIOJY-ZDUSSCGKSA-N 370.280 2.723 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCC2(c3ccc(F)cn3)CC2)cc1 1875380463 PQTKBHUBJFLLPA-UHFFFAOYSA-N 353.397 2.831 0 50 FFAA CS(=O)(=O)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 1875391004 IJJDRKXHKCTYRZ-UHFFFAOYSA-N 361.206 2.870 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)Nc2cnn(CC(F)(F)F)c2C)c1 1875306689 CGPJYATZJWSDAV-UHFFFAOYSA-N 368.359 2.739 0 50 FFAA Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N(C)[C@@H]1CCOC1 1875311299 SWWCIMRFGDNLLV-OAHLLOKOSA-N 369.874 2.552 0 50 FFAA Cc1ccc(F)c(-c2cc(NC(=O)c3ccc(CC(N)=O)cc3)n[nH]2)c1 1875335617 YZLKVYFOKIGSOJ-UHFFFAOYSA-N 352.369 2.804 0 50 FFAA O=C(N1C[C@]2(F)CCC[C@]2(CO)C1)[C@@]1(Cc2ccc(F)cc2)CCCO1 1875404334 FQMZKXXKZQBZPC-HSALFYBXSA-N 365.420 2.631 0 50 FFAA C[C@@H](NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1 1148102 SMTTUPBMMFHDKF-GFCCVEGCSA-N 362.393 2.546 0 50 FFAA COC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3OC)c2C)c1 11690151 FJHDHSXYLKCNIP-UHFFFAOYSA-N 366.377 2.623 0 50 FFAA CC(C)[C@H](CNC(=O)CC1CC(=O)NC(=O)C1)c1ccc(Cl)cc1 2325780070 FIDMFHMJRVJHEH-HNNXBMFYSA-N 350.846 2.639 0 50 FFAA C[C@@H](NC[C@@H]1CCC(=O)NC1=O)c1ccc(Cl)cc1Br 2325802184 NXORWTUKPPPXOJ-BDAKNGLRSA-N 359.651 2.806 0 50 FFAA CC(C)c1nc(-c2cnn3c2CCC[C@@H]3C)n([C@H]2CCS(=O)(=O)C2)n1 2325849392 NZNWDABFCDCVGP-STQMWFEESA-N 363.487 2.522 0 50 FFAA CO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)C1(C)C 893525156 RUYXDRWPJFUMOP-CJXDPKRBSA-N 374.485 2.824 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 789554 OAUZGYYAKONNDV-UHFFFAOYSA-N 372.490 2.712 0 50 FFAA CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)O 846180 ICPRRRIOSWIIEG-HNNXBMFYSA-N 356.378 2.541 0 50 FFAA biogenic O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 1124466 QMQLALPFQLXRBP-HOTGVXAUSA-N 362.838 2.952 0 50 FFAA COC(=O)c1ccc2c(=O)n(Cc3ccccc3OC)c(S)nc2c1 2346017 LJZDEHAONPEPHT-UHFFFAOYSA-N 356.403 2.529 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc4ncnn34)c2)n1 2356137178 IGCPYOMPOISSSE-UHFFFAOYSA-N 360.421 2.521 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1C 2877719 KXEWXPPYEAFEDY-MRXNPFEDSA-N 352.500 2.861 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1OC 2993826 GOTKKZREQUQALD-UHFFFAOYSA-N 370.449 2.926 0 50 FFAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc2c(c1)OCO2 4263696 LYJCVJLMMCXNNR-UHFFFAOYSA-N 374.352 2.803 0 50 FFAA COc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc(OC)c1OC 4725411 FDBLTKJEPIHGOU-UHFFFAOYSA-N 350.459 2.751 0 50 FFAA COc1ccc(CC(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1OC 225610398 SABUMKIFDRRFPB-UHFFFAOYSA-N 369.421 2.723 0 50 FFAA Fc1cccc(CN2CCN(Cc3nc(-c4ccccn4)no3)CC2)c1 20601689 UEQSIZQCSNKMAE-UHFFFAOYSA-N 353.401 2.589 0 50 FFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ccccn3)C2)CC1 55211195 FMMQGUPTTAYSCU-LJQANCHMSA-N 364.493 2.817 0 50 FFAA Cn1cc([C@@]2(C)CN(C(=O)Nc3ccccc3N3CCCC3)CCO2)cn1 134515793 DIMZPQBCKQSPFT-HXUWFJFHSA-N 369.469 2.800 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@H]2c2nc3c(C)cccc3[nH]2)n1 55061200 UQTGPTXLPDSYML-ZDUSSCGKSA-N 356.455 2.754 0 50 FFAA C[C@H](Cn1cncn1)Nc1ccc(-c2nc(Cc3ccccc3)no2)cn1 20538815 BIEWDQCYYRWJCY-CQSZACIVSA-N 361.409 2.815 0 50 FFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(N)=O)CC3)c12 22884243 DFJLXSWMFYOJNZ-UHFFFAOYSA-N 364.405 2.536 0 50 FFAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 23541254 FVTIZLLNGDBIAV-GFCCVEGCSA-N 369.421 2.758 0 50 FFAA CC(C)Cc1ncc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cn1 471450653 HVGGKMJPJSGLSN-UHFFFAOYSA-N 357.805 2.557 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1 67587200 SFMPMCBHOCYMKD-HNNXBMFYSA-N 358.442 2.513 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)o1 121931256 JEHIBGFPDBAATH-AWEZNQCLSA-N 354.472 2.892 0 50 FFAA CC(=O)NCC1CCN(Cc2cc(F)ccc2-n2nc(C)cc2C)CC1 77459401 PKJGRVBCMGMCOC-UHFFFAOYSA-N 358.461 2.976 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@@H](C)N1 153554930 NOTOAFMIJJYEJC-VXGBXAGGSA-N 369.387 2.655 0 50 FFAA C[C@H]1CN(Cc2csc(NC(=O)c3cncc(F)c3)n2)C[C@@H](C)O1 123738439 QUPYNIUNDIKNQZ-PHIMTYICSA-N 350.419 2.539 0 50 FFAA Cc1ccc(C(=O)C2CCN(S(=O)(=O)C[C@@H]3CCCCO3)CC2)cc1 332506277 BPXIWTXIPJMJSO-SFHVURJKSA-N 365.495 2.789 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N[C@H](CN)CC(C)C)cc1Cl 237169834 ULGIUMSFXULPTA-VIFPVBQESA-N 355.287 2.654 0 50 FFAA CN(C)c1ccc(CCC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)cc1 219637724 PDWGGVAADYAVKU-PMACEKPBSA-N 360.498 2.633 0 50 FFAA c1coc(-c2nc3c(c(N[C@@H]4COC5(CCCC5)C4)n2)CCNCC3)c1 72431064 BMISPLXQPCFSFF-AWEZNQCLSA-N 354.454 2.938 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CCCN1C(=O)Cc1ccccc1 159320345 PTUOMLLRUZXORV-RTBURBONSA-N 370.493 2.828 0 50 FFAA C[C@H](C1CCN(C(=O)Cc2cc(F)cc(Cl)c2)CC1)N1CCOCC1 72423752 LAQYBJUMWHYMTD-CQSZACIVSA-N 368.880 2.981 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CCNCC2)cc1 77455726 QOWWNTACUUIGHV-KRWDZBQOSA-N 370.497 2.514 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 79855433 UOEZMNHRTKGDFP-CYBMUJFWSA-N 357.414 2.588 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCN([C@H]2CCc3ccccc3C2)CC1 72144891 ZBZWIUXQWBXJJB-KRWDZBQOSA-N 357.404 2.675 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCC(c2c[nH]nc2C)CC1)c1ccccc1 375922046 LRZLMTXAILSYNU-IBGZPJMESA-N 354.454 2.692 0 50 FFAA CNC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1 451582843 VTTIMDMMNMWDTN-IBGZPJMESA-N 372.490 2.756 0 50 FFAA O=C(CCc1ccccc1F)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72143711 JGONQMWRVXWVJZ-RTWAWAEBSA-N 368.452 2.612 0 50 FFAA CN(CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1)C1CCNCC1 71479499 WZLHJYUNTSVOOK-SFHVURJKSA-N 361.505 2.681 0 50 FFAA CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cn1 286007517 ACTOXTAICLCCSM-HUUCEWRRSA-N 371.441 2.750 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4ncon4)C3)c12 426641357 KPTNKRVORZAGEP-GFCCVEGCSA-N 353.382 2.811 0 50 FFAA CCNc1ncc(C(=O)N[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2)cn1 91364696 BKBBCIASZYBBJT-ZDUSSCGKSA-N 366.425 2.594 0 50 FFAA Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3ncoc3C)C2)o1 95518311 SJGWWSBKFMKPAB-HNNXBMFYSA-N 359.426 2.833 0 50 FFAA Cc1nnc(SCCCNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)s1 426707276 VAMKJNKIKSKTNI-GFCCVEGCSA-N 366.516 2.641 0 50 FFAA CCOC[C@H](O)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O 91643768 ALUDPOVUKBZUNV-HXUWFJFHSA-N 353.462 2.993 0 50 FFAA CN1CCCC[C@H]1CCC(=O)N1CCN(c2ccc(Cl)cn2)CC1 95392366 RFIPCQIPAPZOJH-INIZCTEOSA-N 350.894 2.648 0 50 FFAA COCc1noc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 180158779 RPMWRISFZVBXIJ-QWHCGFSZSA-N 357.332 2.543 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)ccc1F 92038739 FBWWZWPSOWHLQP-OAHLLOKOSA-N 362.445 2.812 0 50 FFAA O=C(N[C@H]1CN(CCCc2ccccc2)C[C@@H]1C1CC1)C1CCOCC1 91678858 RYTGHBKPHPULBR-RTWAWAEBSA-N 356.510 2.872 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1cnn2cccnc12 91563293 LDSJZBILQMQVQE-MRXNPFEDSA-N 362.437 2.909 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1O 91550882 LNRMFCJATXZFQQ-PKOBYXMFSA-N 351.450 2.832 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95383201 KKSIXRXBZGGSKX-INIZCTEOSA-N 368.437 2.569 0 50 FFAA O=C1C[C@H](Cc2ccc3ncnc(NCCO)c3c2)CN1c1ccccc1 244884443 YMRJECILAJVSBW-INIZCTEOSA-N 362.433 2.630 0 50 FFAA COc1ccc2cc([C@H](C)C(=O)NC3CCN(CC(=O)O)CC3)ccc2c1 244594091 DGGHZIANYKELFI-AWEZNQCLSA-N 370.449 2.617 0 50 FFAA CC(=O)Nc1ccc(F)c(NC(=O)N2CCC(c3ccnc(N)n3)CC2)c1 299793169 GQEUNIICBKNWEI-UHFFFAOYSA-N 372.404 2.568 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCc1nnc(C)s1 299783177 FJCRBDHRIDVYKK-UHFFFAOYSA-N 374.426 2.578 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)n1 65373519 RGEXKBKWFJIJQH-KRWDZBQOSA-N 351.410 2.990 0 50 FFAA Cn1cc(-c2ccc(C(=O)N3CCCC[C@H]3CCn3cccn3)cn2)cn1 67643214 UZVZRZQOBNVHKP-SFHVURJKSA-N 364.453 2.764 0 50 FFAA O=C1NCC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)O1 299801805 ZGMOMMSAHHYLCH-UHFFFAOYSA-N 368.393 2.980 0 50 FFAA Cc1cccn2c(CC(=O)N[C@@H](C)CN3CCc4ccccc4C3)cnc12 299777889 FYHWECSBZCVCMT-KRWDZBQOSA-N 362.477 2.748 0 50 FFAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCCn2cnnc2)c1 299756420 HZXZZVPQQJIPLH-INIZCTEOSA-N 356.474 2.864 0 50 FFAA CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)O)CC1 299779741 QIEGAWWXBXBGTH-UHFFFAOYSA-N 358.413 2.704 0 50 FFAA COc1ccccc1-c1nc2cc(N)cc(C(=O)NCCSC)c2n1C 299791813 HAQDMJQNVXZGMX-UHFFFAOYSA-N 370.478 2.924 0 50 FFAA Cc1ccc(OC2CN(C(=O)[C@@H](c3cccnc3)N3CCCC3)C2)cc1 299757060 LSYFJKBVULCJKI-HXUWFJFHSA-N 351.450 2.817 0 50 FFAA O=C1C[C@H](c2ccccc2O)c2c(O)nc(N3CCCCCC3)nc2N1 828323386 RBWFQYWMFRVXDR-CYBMUJFWSA-N 354.410 2.742 0 50 FFAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2nc(N)nc(C)c2Cl)cc1 584900752 SCHANROUXJIKMA-AWEZNQCLSA-N 360.845 2.939 0 50 FFAA CCCn1cc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)c(C)n1 952973205 BTNQGQHYMKRRTA-BANKROOTSA-N 368.485 2.671 0 50 FFAA C[C@@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 952977400 IBWPJUWRNVZALX-IBGZPJMESA-N 368.525 2.901 0 50 FFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2 169145478 CWBPWEDEZGRSDD-IXBGWNDUSA-N 366.255 2.613 0 50 FFAA C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCS(=O)(=O)CC1 187092872 HPLYCQGDPKDLBE-DJJJIMSYSA-N 365.495 2.712 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCC[C@H](N)C2)cc1OC 195109472 SIBPBUCCZBNKPP-LBPRGKRZSA-N 371.275 2.810 0 50 FFAA CN(C)c1cnc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cn1 779668067 VMIPZDJZZUWPHL-QGZVFWFLSA-N 366.421 2.512 0 50 FFAA Cc1cccc(N2CCC(N3CCC(c4nc(N)n[nH]4)CC3)CC2)c1C 1506399716 CKPNCPUQJLRXGO-UHFFFAOYSA-N 354.502 2.852 0 50 FFAA Cc1ccccc1CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1)C(C)C 1529120786 KADYBAWOUYNZRW-RTWAWAEBSA-N 366.461 2.988 0 50 FFAA Cc1ncc(CN2CCCN(C(=O)CCCc3cccs3)CC2)cn1 1800410635 YEJWFSVEEGARBT-UHFFFAOYSA-N 358.511 2.904 0 50 FFAA Cc1ccnc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccc(C)o3)C2)n1 216970163 MRWKGYGDGSIWOC-AEFFLSMTSA-N 354.454 2.746 0 50 FFAA O=C(c1onc2ncccc12)N1CCN(c2nsc3ccccc23)CC1 1775981606 BGDBFNCIQNEVKM-UHFFFAOYSA-N 365.418 2.795 0 50 FFAA O=C(COc1ccccc1)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 12138431 TWVFUOMZWDXCNT-SFHVURJKSA-N 354.406 2.613 0 50 FFAA C[C@@H](C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1)n1cncn1 15080754 GJWPYJVUFFVEBN-NSHDSACASA-N 359.336 2.621 0 50 FFAA CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860070 DJDNUZNWJGNYHS-DZGCQCFKSA-N 372.918 2.797 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)n1 1857669063 CJRKHKHSEIYOII-OXJNMPFZSA-N 373.428 2.551 0 50 FFAA FC(F)(F)c1ccc2oc(CN3CCN(c4cnccn4)CC3)nc2c1 122175705 LPHSSSHODDPXCG-UHFFFAOYSA-N 363.343 2.959 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1Cc2ccccc2O1 238124527 HKTXSYUEYJLMHX-KRWDZBQOSA-N 361.344 2.772 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1 12280010 JAIBHMJRROQMCV-KRWDZBQOSA-N 360.845 2.728 0 50 FFAA CCc1nn(C)cc1NC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 774004073 BAMALJMZCNAXRV-UHFFFAOYSA-N 374.441 2.959 0 50 FFAA COC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 363436063 IYLDBMHBTBHTEO-IINYFYTJSA-N 359.253 2.749 0 50 FFAA C[C@@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 263178037 GYHNTFUXXOKUTB-ZBFHGGJFSA-N 373.453 2.741 0 50 FFAA COC(=O)Nc1cc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)ccc1F 932125283 MSDHYMKAZRFNEC-AWEZNQCLSA-N 360.389 2.986 0 50 FFAA CCCc1occc1C(=O)N1C[C@H](c2n[nH]c(COC)n2)[C@@H](C2CC2)C1 952847943 ARYQFVYDKMVGJJ-CABCVRRESA-N 358.442 2.762 0 50 FFAA COc1cccc2c(C)c(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)oc12 1875260413 ZRNVOZFWRUOYRG-AWEZNQCLSA-N 368.437 2.882 0 50 FFAA CCc1ccc([C@@H](C)C(=O)N2CCOC3(CCS(=N)(=O)CC3)C2)cc1 1875396146 XAYFMKKJTMCBJK-QYRGRQSGSA-N 364.511 2.791 0 50 FFAA O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)NC12CC(C(=O)O)(C1)C2 1875358477 XNIAIAPJINICNO-JQRITLKVSA-N 356.344 2.857 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3-n3ccnc3)n[nH]c21 1875394594 OLKIHKGAHDYVCJ-OLZOCXBDSA-N 351.410 2.548 0 50 FFAA COc1ccc(-c2noc([C@H]3CN(C)C[C@@H](C)O3)n2)c(Cl)c1OC 886082540 MLFDTFFDWVJLOW-BXKDBHETSA-N 353.806 2.799 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nccn2CC(F)(F)F)C1 888102878 SFCMRWNJLJHVQJ-OLZOCXBDSA-N 357.380 2.747 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1c[nH]cc1-c1ccc(F)cc1 2325785840 PVUGVJFLQGIXBQ-UPRAQXHNSA-N 368.412 2.587 0 50 FFAA Cn1nc(C(=O)N[C@@H](CC(=O)O)C2CCC(F)(F)CC2)c2c1CCCC2 2325788684 XASULGQDVUKFEG-ZDUSSCGKSA-N 369.412 2.698 0 50 FFAA Cc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1Cl 877016 NLZMJNYOBRRXSK-UHFFFAOYSA-N 358.891 2.673 0 50 FFAA NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1142782 BFVXTIJIIGIZIR-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2)CC1 1196951 JFJQCQAUBVYCLI-UHFFFAOYSA-N 353.447 2.746 0 50 FFAA Cc1cc(Br)ccc1NC(=O)CCCN1C(=O)CCC1=O 2866838 TWPBIGFJDLUCAP-UHFFFAOYSA-N 353.216 2.625 0 50 FFAA O=C(O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 4641528 JUZNVNYXTXIOKO-UHFFFAOYSA-N 357.790 2.755 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccs1 4829112 JQHAFCXGKSHTBN-GFCCVEGCSA-N 356.403 2.775 0 50 FFAA Cc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 4867970 APIZJOIOBSYXPI-INIZCTEOSA-N 361.438 2.964 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1 7505083 KKBDSBWWVUHYIX-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)CCNC(=O)c1ccccc1F)C(C)C 55269690 WJYJDUMVIYPGCP-UHFFFAOYSA-N 374.460 2.733 0 50 FFAA CN(Cc1ccccc1)C(=O)CCC1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 102249669 MSSPKPZQDIESPF-AERCQKQUSA-N 355.526 2.603 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc(C(C)C)n(C)c3=O)CC2)c1 55405007 ZYRAEEGMDCGTBO-UHFFFAOYSA-N 367.493 2.775 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)N3C[C@@H](N)C[C@H]3C(=O)NC)cc2)cc1 67642098 QKDKBKIWPAJKIQ-PMACEKPBSA-N 365.477 2.594 0 50 FFAA Cc1ccc(C(=O)Nc2cccc(NC(=O)C[C@H]3CNCCO3)c2)cc1 63881567 LHQQIVJDZIMGEU-SFHVURJKSA-N 353.422 2.564 0 50 FFAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1n[nH]c2ccccc12 409414096 NMJSECFOIAKVER-VQIMIIECSA-N 370.497 2.916 0 50 FFAA Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(C)CC3)nc2C1 20101991 PAYFMADHUGAQKP-MRXNPFEDSA-N 350.466 2.758 0 50 FFAA CNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1 252482341 DDJAJYILVZDXJO-UHFFFAOYSA-N 359.451 2.794 0 50 FFAA CN(C)Cc1c(C(=O)N[C@H]2COc3ccccc3C2=O)oc2ccccc12 128929806 UTSPLHCVXQLFTH-INIZCTEOSA-N 364.401 2.868 0 50 FFAA c1cc(-c2nc3c(c(NCCC45CCCN4CCC5)n2)CCNC3)ccn1 67851393 WXGKATSUZDHTPC-UHFFFAOYSA-N 364.497 2.615 0 50 FFAA COc1cc(CNC(=O)c2cc3ccccc3oc2=O)cc(OC)c1OC 672078 QGZQNXSMKCGHTO-UHFFFAOYSA-N 369.373 2.749 0 50 FFAA Cc1cc(O)ncc1C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 328650183 VJCIPRXKAFYFSA-MRXNPFEDSA-N 357.479 2.942 0 50 FFAA CC1(C)C(O)=Nc2ccc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc21 328609974 GGHVYDIAUCGUNR-UHFFFAOYSA-N 374.466 2.577 0 50 FFAA CCn1ncc(-n2c(S)nnc2Cn2nc(C)c(Cl)c2C)c1C 8339755 DWGVNHQFIHSFCX-UHFFFAOYSA-N 351.867 2.596 0 50 FFAA O=S(=O)(N[C@@H]1c2ccccc2CC12CCOCC2)c1cncc(F)c1 329768366 DQRZALUFNYDPOQ-QGZVFWFLSA-N 362.426 2.593 0 50 FFAA COc1ccc2c(CN3CCN(Cc4ccc(C)cc4)C(=O)C3)n[nH]c2c1 72153763 SUSDNOJNDPMYJG-UHFFFAOYSA-N 364.449 2.724 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cccc2nccnc12 218786640 IXOPPSLTFGEGDU-MSOLQXFVSA-N 367.380 2.735 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCC[C@@H](CCc2ccc(F)cc2)C1 72148599 VWHZZHLOCPVLTP-KRWDZBQOSA-N 356.507 2.752 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c1 72117765 RMYVAHUKRVYTGI-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CCO[C@H](CN)C3)cc(C)c2c1 219314205 RGFUCJKUXSNNLO-OAHLLOKOSA-N 359.495 2.520 0 50 FFAA COc1ccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c(OC)c1 15855986 UGLNJQLZVYFPAA-UHFFFAOYSA-N 369.465 2.627 0 50 FFAA O=C(C1CCN(C(=O)[C@@H]2CCc3ccccc3O2)CC1)N1CCCCC1 77516889 GZJQHBKSNIBQOG-IBGZPJMESA-N 356.466 2.631 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1)c1ncc(F)cc1F 219405773 DNUVKGMVZRMLDA-HACGYAERSA-N 360.360 2.537 0 50 FFAA Cc1ccc(Cc2noc([C@H]3CC(=O)N(Cc4ccccn4)C3)n2)s1 377643612 DGNMYSPPKDIUGQ-ZDUSSCGKSA-N 354.435 2.941 0 50 FFAA CCCc1ccc2nccc(N3CCC[C@H](CNS(C)(=O)=O)C3)c2c1 450259189 VOANIPPBOVQYTB-MRXNPFEDSA-N 361.511 2.953 0 50 FFAA COc1ccc(CC(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cc1F 262832418 FYZINUGJOYWULE-HOTGVXAUSA-N 357.381 2.704 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1 173348239 USZAWQOBVAQHEU-CYBMUJFWSA-N 364.405 2.842 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCn1cc(Cl)cn1 77470682 IIKPCUOUQUJSDQ-UHFFFAOYSA-N 361.808 2.910 0 50 FFAA CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)c(OC)c2)cn1 242302452 YSSQNPMWJCDOAP-UHFFFAOYSA-N 367.446 2.554 0 50 FFAA Cc1ccc(C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)c(O)n1 285602900 URIZEXWVJSECDG-MRXNPFEDSA-N 356.422 2.794 0 50 FFAA O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC1(C(=O)O)CC1 263471133 RWQSIZHDVQDHQP-QGZVFWFLSA-N 366.417 2.529 0 50 FFAA OCc1cc2n(n1)CCCN(Cc1cccc(OCc3ccccn3)c1)C2 220623685 KKAFCJVJXCPVHX-UHFFFAOYSA-N 364.449 2.755 0 50 FFAA c1cc(CN2CCc3ccccc3C2)cc(OCCN2CCOCC2)c1 223072362 PYUJDCSMKUUNAS-UHFFFAOYSA-N 352.478 2.956 0 50 FFAA COCCn1cncc1CNC(=O)c1ccc(-c2nc(C)cc(C)n2)cc1 426574765 CHRQGQWHACDUMP-UHFFFAOYSA-N 365.437 2.533 0 50 FFAA Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)nc(C)n1 331464718 GBFBBTJOVBBNTQ-UHFFFAOYSA-N 353.426 2.520 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 179025156 UWCVHXGPOVBHJW-NSHDSACASA-N 370.350 2.712 0 50 FFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCC3=CCCCC3)ccc21 95380799 KIQNVDDSTOSIPF-KRWDZBQOSA-N 368.481 2.765 0 50 FFAA O=C1CC2(CCN(C3CCOCC3)CC2)CN1Cc1ccc(F)c(F)c1 91663136 AFWXCWQKHJROHF-UHFFFAOYSA-N 364.436 2.958 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 95387455 VKDRNAKAJBFHJP-DOTOQJQBSA-N 355.482 2.616 0 50 FFAA C[C@@H]1CN(C)CCCN1Cc1cc(-c2cccnc2)ccc1OCC(=O)O 97785234 SAKXTSZJYIGDTD-MRXNPFEDSA-N 369.465 2.738 0 50 FFAA COc1c[nH]c(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1=O 97636699 NDIDDYVYWAYMOM-CQSZACIVSA-N 372.812 2.891 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)C1(c3ccccc3)CC1)CC2 91657067 AWNGLHRMEJNNMP-UHFFFAOYSA-N 370.493 2.596 0 50 FFAA Cc1ccc(F)c(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 95361820 DOJXYDJNUPDDHS-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA CCNc1ncc(C(=O)NCc2cnc(-c3ccccc3OC)s2)cn1 92020820 UARSERFTVZELFD-UHFFFAOYSA-N 369.450 2.971 0 50 FFAA COc1ccc(CC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cc1OC 95373038 QYKJIVCKZCYZIS-LJQANCHMSA-N 369.461 2.830 0 50 FFAA CSCCc1nc(C2CCS(=O)(=O)CC2)n(-c2ccccc2C)n1 96137305 FCPRHFVOVHKFAX-UHFFFAOYSA-N 365.524 2.773 0 50 FFAA Nc1nc(CCC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cs1 96149299 QIRWWKMQYCBWRV-UHFFFAOYSA-N 353.451 2.633 0 50 FFAA COc1ccc(CN(C)Cc2cc(=O)n3nc(C)cc3[nH]2)c2cccnc12 334159651 IWQNKPVZLAVARE-UHFFFAOYSA-N 363.421 2.520 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)nc1C 180879799 XTJNBQIUFKIEDI-GOSISDBHSA-N 368.481 2.926 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CCO1 299745015 QSELGQZXFKWNIA-IBGZPJMESA-N 364.401 2.615 0 50 FFAA O=C(NCCCc1ccccc1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263615447 CLIUMFSRVWBCIA-LJQANCHMSA-N 362.433 2.912 0 50 FFAA O=C1C[C@H](CN2CCCN(Cc3ccccn3)CC2)CN1c1ccccc1 299797973 DGECFSOIYDBZTE-LJQANCHMSA-N 364.493 2.642 0 50 FFAA O=C(O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1N1CCOCC1 299790912 BUVLDFVPDVUEPG-FUHWJXTLSA-N 366.889 2.728 0 50 FFAA CC1(C)C(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)C1(C)C 1565531085 KUNPEBOVJZLAKF-GJZGRUSLSA-N 361.438 2.720 0 50 FFAA Cc1ncn(C)c1C(=O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565530800 PVDJKXGWBYCPMM-CBGDNZLLSA-N 367.449 2.839 0 50 FFAA CN(C)Cc1ccccc1CN(C)C(=O)c1nnc(O)c2ccccc12 952975445 YRVDXBVNGBUDSG-UHFFFAOYSA-N 350.422 2.669 0 50 FFAA O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cn(Cc2ccccn2)nn1 279330726 AUXVLDKFTUSEQY-WBVHZDCISA-N 365.412 2.927 0 50 FFAA CN(C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(F)c(F)c1 110061369 FMRKXZGZIAMYTD-UHFFFAOYSA-N 356.332 2.526 0 50 FFAA CCn1cc(C2CCN(C(=O)CCc3ccc(C(=O)O)cc3)CC2)cn1 191583326 FWKCRVFCZOJHQL-UHFFFAOYSA-N 355.438 2.940 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3ccccc3OCC3CC3)CCO2)cn1 191706772 NSFDDIHANFJVJO-IBGZPJMESA-N 355.438 2.906 0 50 FFAA CN(C)c1noc(C2CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)CC2)n1 193966650 TXAGAOPAXRJNJE-UHFFFAOYSA-N 372.473 2.926 0 50 FFAA CCOc1cccc(C(=O)NS(=O)(=O)c2cccc3ncccc23)c1 729206358 GBENHAVOSOYLPV-UHFFFAOYSA-N 356.403 2.752 0 50 FFAA COc1ccc(S(=O)(=O)N(C)Cc2noc(C3CCC3)n2)cc1Cl 1506412355 CPRRHOWJLFFDNN-UHFFFAOYSA-N 371.846 2.820 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529155309 QQKKNPNWHWQVTE-IEBWSBKVSA-N 370.424 2.732 0 50 FFAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772701574 LGVLTTVZHWJWHK-ASSNKEHSSA-N 368.433 2.610 0 50 FFAA CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 11817516 LVBAGTCCSXQLCI-QGZVFWFLSA-N 362.426 2.855 0 50 FFAA O=C(NCc1csc(-c2ccccc2)n1)c1cn(C[C@@H]2CCCO2)nn1 12314244 VJWMWGFDQAGYBN-HNNXBMFYSA-N 369.450 2.511 0 50 FFAA COCCNCC[C@@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F 14991018 UTAHRUNPPVNTQN-AWEZNQCLSA-N 360.376 2.702 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(CCO)Cc3cccs3)n2)cc1 19757552 VNEMRVYPSIZGGJ-UHFFFAOYSA-N 373.434 2.579 0 50 FFAA O=C(O)[C@@H]1CN(CC2CC2)CC12CCN(Cc1nc3ccccc3[nH]1)CC2 1857684996 MVSGNZFSIDVEBU-INIZCTEOSA-N 368.481 2.572 0 50 FFAA CC[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CCN1C[C@@H](C)O 240454715 FYGZGYCKOQJJHI-AEYPOQCISA-N 352.494 2.599 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)C1 363385662 CBNFKYONAWUPPH-STQMWFEESA-N 367.852 2.803 0 50 FFAA CC1(C)Oc2c(c(O)cc3occ(-c4ccc(O)cc4)c(=O)c23)C[C@H]1O 261492826 HFVFEMFAVPWVDX-MRXNPFEDSA-N 354.358 2.946 0 50 FFAA biogenic O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-n2cccn2)n1 265482950 FSHYETRHHPNXSX-UHFFFAOYSA-N 361.449 2.662 0 50 FFAA Cc1cc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)sc1C(=O)O 164540979 ZHNYNRVCGKLDJJ-UHFFFAOYSA-N 357.457 2.798 0 50 FFAA CN(Cc1ncc(Cl)n1C)S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 914342079 QSILIIIKKNBGDP-QWHCGFSZSA-N 357.838 2.530 0 50 FFAA CCCOc1ccc(C(=O)N2CCC[C@]3(CCc4cnc(N)nc43)C2)cc1 1704301375 WUMBWKXPWUEXPI-NRFANRHFSA-N 366.465 2.968 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(F)c(CO)c3)cn2)C[C@H](C)O1 1875297737 BXEFCHSIWKBXHJ-STQMWFEESA-N 359.401 2.579 0 50 FFAA C[C@@H]1c2sccc2CCN1C(=O)C[C@@H](c1ccccc1)n1cnnn1 1875296110 ZNSCPZKRQFMOTO-CJNGLKHVSA-N 353.451 2.860 0 50 FFAA O=C(NC[C@@]12CC[C@@](C(=O)O)(CO1)C2)c1ccccc1[C@H]1CC1(F)F 1875300920 WBVYNJQQJPDHTE-COXVUDFISA-N 351.349 2.563 0 50 FFAA C[C@@H]1CCCCCCN1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1875360825 JUBAZIJSCPWBGH-VLIAUNLRSA-N 372.469 2.605 0 50 FFAA NC[C@H](CO)Cc1cc(-c2cc(F)cc(Cn3ccnc3)c2)ccc1F 899324499 MPSYNVQMQXWTMA-OAHLLOKOSA-N 357.404 2.986 0 50 FFAA O=C(Nc1ccc(CN2CCC(CO)CC2)cc1)c1cc[nH]c2nccc1-2 2325771232 LKAGRJZMCKRYFQ-UHFFFAOYSA-N 364.449 2.971 0 50 FFAA O=C(NCc1n[nH]c2c1CCC2)c1ncc2cc(Br)ccc2n1 2325798975 MFSRFOPMXWFUTJ-UHFFFAOYSA-N 372.226 2.534 0 50 FFAA C[C@H]1CCN(C(=O)C(=O)N2CC[C@](c3ccccc3)(C(F)(F)F)C2)C1 2325828392 GBCQCPNENQDBSW-GUYCJALGSA-N 354.372 2.587 0 50 FFAA COc1cccc(CNC(=O)CN2C[C@@H]3C[C@@]3(c3ccc(C)cc3)C2)c1 2325868434 ZFJMWESNQLDTPA-UGKGYDQZSA-N 350.462 2.893 0 50 FFAA CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 895795945 YTGJERZRUMGPCI-LJQANCHMSA-N 364.453 2.634 0 50 FFAA NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 870829 CWWWWRFCKJUNOP-UHFFFAOYSA-N 357.460 2.513 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356156879 UWBMGXUUNUFQDS-LJQANCHMSA-N 374.872 2.521 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 6741066 JCPCOLWZLFRBDB-OLZOCXBDSA-N 362.451 2.980 0 50 FFAA COc1c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)[nH]c2ccccc12 412545886 YMLSNHSWSGFDPW-KXBFYZLASA-N 364.449 2.994 0 50 FFAA Cc1ccc(N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1Cl 101672067 KXRVUFRNLIWJKV-XEZPLFJOSA-N 370.902 2.719 0 50 FFAA O=C(C1=CCCCC1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 15075479 IHUTWOSEEXSTBU-AWEZNQCLSA-N 368.524 2.765 0 50 FFAA O=C(C[C@@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1)c1ccco1 119231033 YYRNEDWJKAYMSM-GFCCVEGCSA-N 372.402 2.824 0 50 FFAA O=C(CC[C@@H]1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1 20567486 JWOWERPAIMOKLT-LJQANCHMSA-N 366.461 2.951 0 50 FFAA CC(C)Cc1nc([C@H](C)NS(C)(=O)=O)n(-c2cccc(Cl)c2F)n1 65394983 VEMZPIMMEBFOMR-JTQLQIEISA-N 374.869 2.869 0 50 FFAA COCCN(C)c1ccc(CN[C@H]2CCN(c3ccccc3OC)C2)cn1 252491861 LXPATZAQKJZNCV-SFHVURJKSA-N 370.497 2.541 0 50 FFAA N=C(O)c1cnn2c1CC[C@@H](CNCc1c(F)cccc1N1CCCC1)C2 328624491 CKCUXNCEPBYNKL-AWEZNQCLSA-N 371.460 2.858 0 50 FFAA CN(Cc1nnc(-c2ccco2)o1)[C@H]1CCCN(c2ccccc2)C1=O 172012099 GTFZDXGTFLEMEG-HNNXBMFYSA-N 352.394 2.957 0 50 FFAA CCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)C[C@@H]1CCCO1 172173881 COCDOXBLXQQJLQ-INIZCTEOSA-N 374.510 2.777 0 50 FFAA Cc1c(Cl)cccc1NC(=O)C[C@@H]1COCCN1C(=O)N1CCCC1 72421066 LFRYJVUUPKDVRX-CQSZACIVSA-N 365.861 2.894 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cn1 152068760 OSTWVWUINOEZHS-FUHWJXTLSA-N 370.501 2.917 0 50 FFAA O=C(CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1cccs1 126556007 XGGXXMPKUWTQQV-HNNXBMFYSA-N 356.447 2.599 0 50 FFAA CCc1[nH]nc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1C 71759445 GJNWLKPCDKBMIH-DUXKGJEZSA-N 364.493 2.983 0 50 FFAA Cn1cc(C[C@@H]2CCN(C(=O)NCC3(c4cccc(F)c4)CC3)C2)cn1 363322125 AAHZXZITCATZBM-HNNXBMFYSA-N 356.445 2.865 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCN2CCOCC2)c(C)s1 77319547 QJLXAWCCQNWJLT-INIZCTEOSA-N 372.556 2.630 0 50 FFAA COc1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc(Cl)c1O 39508826 MHNYQICKFBIETD-MRXNPFEDSA-N 368.905 2.865 0 50 FFAA CN(C)Cc1nc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)cs1 77342386 NNXHBYJTYMPNRV-INIZCTEOSA-N 371.506 2.869 0 50 FFAA CCCCNC(=O)C[C@@H]1COCCN1C(=O)c1scc2c1CCCC2 72423220 FLHMYSYKUMPEBK-OAHLLOKOSA-N 364.511 2.774 0 50 FFAA COc1ccc(CN2CCC(CO)(CN3CCCC3)CC2)c(OC)c1C 218785261 IZQXGALAFSHGDE-UHFFFAOYSA-N 362.514 2.683 0 50 FFAA O=C(Nc1cccc2cccnc12)C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 371427666 XYEUWVSSEFZDMT-JKSUJKDBSA-N 367.449 2.839 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3nc(C)cnc3C)CC2)n1 77298904 HQVPKJCLUBDNFZ-UHFFFAOYSA-N 352.364 2.537 0 50 FFAA CO[C@H]1[C@H](NC(=O)CCc2cccnc2)c2ccccc2C12CCNCC2 72425054 WSBUIRZMVCVZMT-RTWAWAEBSA-N 365.477 2.522 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 77440483 FDKDISYOIPUQKW-FQEVSTJZSA-N 360.502 2.794 0 50 FFAA Cn1nccc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 377627756 SDDOIZGJWGMTDG-AWEZNQCLSA-N 355.373 2.510 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)c1C 159296307 JLOBUMOPRMVWMX-QGZVFWFLSA-N 359.495 2.872 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N[C@H](c3nccn3C)C3CC3)nc2c1 222532012 VXMIAPXBEYXICE-INIZCTEOSA-N 355.467 2.964 0 50 FFAA Cc1ccc([C@H](CNC(=O)C2(c3ccc(F)cc3)CC2)N2CCOCC2)o1 44337660 XVVSQITWELGYIT-SFHVURJKSA-N 372.440 2.948 0 50 FFAA Nc1cc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)C2)ccn1 82086783 CEPARHLPWFZMAK-UHFFFAOYSA-N 372.428 2.820 0 50 FFAA Cc1ccn2c(F)c(C(=O)N(C)Cc3ccc4c(c3)CN(C)C4)nc2c1 426409269 YZVBMWSCQAIKFT-UHFFFAOYSA-N 352.413 2.999 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2CCC[C@H](CS(C)(=O)=O)C2)c1 97347524 IUZPNELUVZYVBB-KRWDZBQOSA-N 361.511 2.746 0 50 FFAA COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91965014 DBAUXAXMCHGKQA-QFBILLFUSA-N 370.493 2.877 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 95365514 WVZGBLHHJMPECI-MRXNPFEDSA-N 365.412 2.880 0 50 FFAA COc1ccc(-c2cn(CC(=O)c3cccc(OC)c3)c(=N)n2C)cc1 334157655 YTJMGVALYYRPJT-UHFFFAOYSA-N 351.406 2.873 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cn1 95359238 VETHRBWPHJBQHZ-OAHLLOKOSA-N 354.410 2.626 0 50 FFAA Cc1nn(C)c2nc(N3CCc4nnc(-c5ccccc5)n4CC3)sc12 96138690 RPFUJQJTEPYBHN-UHFFFAOYSA-N 365.466 2.659 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCC2(CC1)OCCC[C@H]2O 95353869 AQHYONMVEFIGOW-LJQANCHMSA-N 356.466 2.872 0 50 FFAA CC(C)c1cc(C(=O)NCc2coc(-c3ccccc3)n2)nc2ncnn12 91452385 JLNUTIDRYJNMDY-UHFFFAOYSA-N 362.393 2.833 0 50 FFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(CN2CCN(C)CC2)o1 97785076 JPANMYMRMSJFNE-HNNXBMFYSA-N 371.456 2.926 0 50 FFAA CCC[C@H](NC(=O)c1ccc(C)c(N2CCNC2=O)c1)c1nccn1C 91320101 IZVAVRIGFWXKSQ-HNNXBMFYSA-N 355.442 2.529 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)c1 95527807 AXPOCIFHIQUACH-SFHVURJKSA-N 363.461 2.630 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)o1 91636538 LBZODFQTJRYYQU-NRFANRHFSA-N 372.465 2.736 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 95387281 BPWJEICXAILSQL-HNNXBMFYSA-N 359.449 2.995 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)Cn2cc(-c3nccn3C)nn2)n1 91486651 AKDDGASSJSRNRB-JTQLQIEISA-N 353.352 2.539 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3cccc4nonc34)C2)N1Cc1ccccc1 95355905 LRXKCANJHGDFGO-ZWKOTPCHSA-N 362.433 2.846 0 50 FFAA COc1cncc([C@H](NC(=O)Cc2ccc(F)cc2F)[C@H]2C[C@H](O)C2)c1 244633323 GAZPSZQPXRXLHA-KPAZRMRSSA-N 362.376 2.539 0 50 FFAA CC[C@@H](NC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)O 297418864 YGYAULFUMXBJFV-CYBMUJFWSA-N 366.849 2.781 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)NCC(C)(C)N(C)C)C2)c1 534655162 WXQSUPZYOULGPF-INIZCTEOSA-N 363.502 2.836 0 50 FFAA CCCN1C[C@H](NC(=O)N(C)CCn2c(C)cc3ccccc32)CC1=O 534580353 ZEFADINXHXMRMZ-QGZVFWFLSA-N 356.470 2.602 0 50 FFAA Cc1csc(CCCNC(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)n1 534580373 HDNLTSBOIGPCLH-UHFFFAOYSA-N 368.462 2.575 0 50 FFAA Cc1ccc(N(C)C)cc1NC(=O)N1CCC[C@H](CN2CCN(C)CC2)C1 299762394 VUPYSSIOVHEBIA-GOSISDBHSA-N 373.545 2.552 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cccc2cn[nH]c12 299755751 DBXHDVDBMFDEAJ-ZDUSSCGKSA-N 355.442 2.818 0 50 FFAA CCc1cccc(C)c1N1C[C@H](C(=O)N(CC)C2CCOCC2)CC1=O 299768614 LLEZRVACSKLUEY-QGZVFWFLSA-N 358.482 2.938 0 50 FFAA COc1ccccc1Cc1nc(-c2ccn(C)c2C)n(CC(C)(C)O)n1 824821859 LCKIEHPZRNAFIR-UHFFFAOYSA-N 354.454 2.962 0 50 FFAA CN(CCc1ccccn1)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 584887559 LECHEALNKLKSQY-MRXNPFEDSA-N 356.445 2.931 0 50 FFAA O=C(NC1CCN(Cc2cccs2)CC1)c1nc2ccccc2nc1O 670470005 YRKGKMOAZIELBK-UHFFFAOYSA-N 368.462 2.791 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N(Cc1ccccn1)C[C@@H]1CCCO1 952975004 KZZKUGLAVBQVBZ-SFHVURJKSA-N 364.442 2.732 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 952987831 JXPQOAPRGSNARC-HNNXBMFYSA-N 353.422 2.701 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N1CCC(Cc2ccccn2)CC1 171612848 KCVLIJKAPIYXBJ-UHFFFAOYSA-N 361.445 2.878 0 50 FFAA O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ncoc1-c1ccc(F)cc1 185922192 CJIZGGWDRVZGEJ-CQSZACIVSA-N 372.377 2.739 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)Cn2cnc3sccc3c2=O)cs1 275122984 YVEFKCBGNYNWDQ-CYBMUJFWSA-N 360.464 2.587 0 50 FFAA CC[C@@](NC(=O)/C=C/c1ccc(C(=O)NC)cc1)(C(=O)O)c1ccccc1 170671676 DQFHRJUMXCNPOH-KVDXNUTJSA-N 366.417 2.566 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1CCCO[C@@H]1c1ccccc1 170644404 OZIPHKCTUHBDOF-HZPDHXFCSA-N 372.494 2.728 0 50 FFAA CN(C(=O)c1nc2cccnc2s1)[C@@H]1CCN(Cc2ccccc2)C1=O 194033022 SIFQJLFJGSOJHI-OAHLLOKOSA-N 366.446 2.564 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H]1C(=O)O 222522843 QIZGENRNXKBMNI-SJORKVTESA-N 373.380 2.540 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)CC(C)(C)c3ccccc3)C[C@@H]12 1704333649 BPZACVHQEYYZSE-UTKZUKDTSA-N 358.482 2.752 0 50 FFAA CN(C(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1)C1CCCCC1 11842976 DHSVPEIRRVPMCL-FQEVSTJZSA-N 371.525 2.601 0 50 FFAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 12207718 KZUULDFSKNLKGH-PXTSUWAFSA-N 371.412 2.703 0 50 FFAA O=C(c1ccco1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 12318326 IMSBBRSMYBKBIJ-MRXNPFEDSA-N 357.429 2.846 0 50 FFAA Cc1ocnc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12474174 BBXPODKEBFFHKN-LBPRGKRZSA-N 367.327 2.533 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)N1CCO[C@H](CC2CCCCC2)C1 12579273 JDZHYCMBGBQTSW-MRXNPFEDSA-N 358.438 2.792 0 50 FFAA COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3C)cc1 14744616 GBURAURGZNHQFV-UHFFFAOYSA-N 359.470 2.580 0 50 FFAA CC(C)Oc1ccc([C@@H]2CC(=O)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 19450545 USSUOTMWDBLJDL-HNNXBMFYSA-N 369.373 2.925 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(NC3CCC3)nc2)CC1 19771003 FBXKIKBDJGCJLQ-UHFFFAOYSA-N 356.470 2.521 0 50 FFAA CN(C)C(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)CC(C1CC1)C1CC1)C2 1857528869 KMXHOGAFWOCNGT-LXZKKBNFSA-N 357.454 2.517 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)CCc1ccc2c(c1)OCO2 1857680254 FJDZABULAANOHD-UHFFFAOYSA-N 351.406 2.856 0 50 FFAA COc1ccc([C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]2N(C)C)cc1 222418074 JWWFBEORQQILBY-UXHICEINSA-N 368.477 2.996 0 50 FFAA CC(=O)Nc1cccc(CC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)c1 333602722 QRZBBEVZEZUXMR-UHFFFAOYSA-N 371.481 2.581 0 50 FFAA Cc1n[nH]cc1C1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 375923435 UZEQYIVRSMKDMK-UHFFFAOYSA-N 370.844 2.972 0 50 FFAA CC(C)(C)C(=O)NCCC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 378114585 IYFFKMQQDOWJSQ-IBGZPJMESA-N 373.541 2.957 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1coc2c1C(=O)NCC(C)(C)C2 864629610 SIUTTYCRFWZNEU-UHFFFAOYSA-N 356.378 2.631 0 50 FFAA C[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)C[C@@H](C)O1 1875290445 GKBSFXJAHNHBDN-HWWDLCQESA-N 367.449 2.576 0 50 FFAA CC(C)n1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)c3cccc(O)c3)CC1)O2 1875394494 KFECYLILWBPVDN-INIZCTEOSA-N 371.437 2.661 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 1875367088 BHLKMJQVTRKHFH-UYAOXDASSA-N 356.466 2.526 0 50 FFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(NC(=O)c3ccccc3)cc2)cn1 1875384325 FDTWTTXWNORIBF-KBMIEXCESA-N 362.433 2.936 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(ncn4C4CCC4)C3)n[nH]c21 1875396748 UEDYANKRDQGBGP-NEPJUHHUSA-N 355.442 2.552 0 50 FFAA C=CC(=O)N1CCC(C(=O)OCc2ccc(Br)cc2)CC1 1875382798 RYUPFIBUQNDJMN-UHFFFAOYSA-N 352.228 2.917 0 50 FFAA Cc1cnc([C@@H](C)N2CCC3(CCN(C(=O)c4n[nH]cc4C)CC3)C2)o1 1875406549 GXFLBXYMTGGLOL-OAHLLOKOSA-N 357.458 2.704 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cc(C)c4ncccc4c3)C2)n1 888076277 SQUDGWLZZYHWNV-FQEVSTJZSA-N 352.438 2.804 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3cc(C)ccc3C)c2N)cc1 11690532 ZMJYGEMLUYNHNQ-UHFFFAOYSA-N 364.409 2.677 0 50 FFAA O=S(=O)(Nc1cnn(Cc2coc(C3CC3)n2)c1)c1ccccc1F 2325761452 IRMFPLZMHQPTTN-UHFFFAOYSA-N 362.386 2.737 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C3)cc1 2325779136 INPGOUHEEVQMOT-PGRDOPGGSA-N 363.461 2.696 0 50 FFAA Cc1c(C(=O)NC[C@@H](C(=O)O)c2ccc(Cl)cc2)nn2c1CCCC2 2325812952 XDAGDYUDKAAQJQ-CQSZACIVSA-N 361.829 2.779 0 50 FFAA CC1(C)Cc2cc(C(=O)N3CCC(O)(c4cncnc4)CC3)sc2C1 2325813089 KJNMVGBOBDSCHZ-UHFFFAOYSA-N 357.479 2.787 0 50 FFAA O=C(Cc1cc(C2CC2)on1)NCC1CN(C(=O)CCC2CCCC2)C1 2325867631 ANVUVCWHMXARPY-UHFFFAOYSA-N 359.470 2.640 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)C1 2325888586 IMASMGOYAALJIN-GWCFXTLKSA-N 369.248 2.968 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3noc4ccccc34)C1)CC2 2356159806 QYEDGWHWGYJKIK-OAQYLSRUSA-N 362.433 2.975 0 50 FFAA Cc1nc[nH]c1CN1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356166821 AZCDYNAAKMBSRF-NRFANRHFSA-N 352.482 2.918 0 50 FFAA COc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4512310 JSIHZHKCOSRVTO-NCEADKKKSA-N 366.211 2.594 0 50 FFAA CCN(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(F)cc1 4839650 PHDQKIBYSUFLQU-UHFFFAOYSA-N 350.415 2.783 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)Nc1ccc2c(c1)OCCO2 6729054 WQXKXCBTQRIPQM-UHFFFAOYSA-N 365.389 2.981 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 100839158 KFZJFHPYRFJRMO-LAQRGFTBSA-N 354.450 2.781 0 50 FFAA COc1cccc(-n2cc(-c3ccnc(N4CC(n5cccn5)C4)n3)cn2)c1 55253590 BOZRLIILURRRPY-UHFFFAOYSA-N 373.420 2.596 0 50 FFAA COc1ccc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)cc1 20249277 XEYKDQXZUWRWRM-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA COc1cc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc(N)n1 67642281 OFJRVGXAYMPDCV-DLBZAZTESA-N 350.422 2.575 0 50 FFAA O=C(NC1(CO)Cc2ccccc2C1)c1cc(-c2ccc(F)cc2)on1 437973681 JVVUEGPXGJLHTG-UHFFFAOYSA-N 352.365 2.740 0 50 FFAA Cc1ccc(S(=O)(=O)n2cc(Br)c3nccnc32)cc1 306145840 RZIHFWIVUHARMG-UHFFFAOYSA-N 352.213 2.739 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@H](C)[C@@H]3C(=O)NC[C@@H]32)c1 229838554 MPGZXQHRLFNTMD-FNHZYXHNSA-N 370.474 2.730 0 50 FFAA O=C(c1c[nH]c2ccccc12)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67446558 XHAGNLYIIULRFB-KBXCAEBGSA-N 364.401 2.887 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cc(-c2ccccn2)no1 1506397245 QQMPMMQTEPEQIE-UHFFFAOYSA-N 353.426 2.678 0 50 FFAA C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@H](OCc2ccncc2)C1 281118280 XGTOEXPGGABJCX-CJNGLKHVSA-N 361.392 2.978 0 50 FFAA CCCC(=O)N1CCC(N2CCN(c3nccc4occc34)CC2)CC1 65453082 WDSDELCOHKREMO-UHFFFAOYSA-N 356.470 2.741 0 50 FFAA Cc1cccnc1[C@H]1CCC[C@@H](NCC2CCN(S(C)(=O)=O)CC2)C1 281388112 XUSMCJKJEFUAJM-ZWKOTPCHSA-N 365.543 2.677 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc4nonc34)CC2)n1 77459646 LCRPFAJYIGQEPP-UHFFFAOYSA-N 369.425 2.619 0 50 FFAA Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc3c(=O)[nH]cnc3cc1F)C2 151909556 LRZPWJZXHAGUSZ-KRWDZBQOSA-N 353.353 2.621 0 50 FFAA CCOc1cc(/C=C/C(=O)N2C[C@H](C)N[C@H](C)C2)cc(Cl)c1OC 153752536 WOLFCCLISCEMKK-VNTREEHLSA-N 352.862 2.969 0 50 FFAA CN(C[C@@H]1CC12CCN(Cc1ncn(-c3ccccc3)n1)CC2)C1CC1 367508894 CENOVRZFWMSZFN-KRWDZBQOSA-N 351.498 2.964 0 50 FFAA O=C1C[C@@H](c2cccs2)Cc2[nH]c(=O)c(C(=O)NCc3ccco3)cc21 71385105 FPDNZNVHCGQKIL-NSHDSACASA-N 368.414 2.872 0 50 FFAA O=C1NCCN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)[C@@H]1c1ccccc1 333519571 ZAEWAQBIYMSKEQ-BHIYHBOVSA-N 367.424 2.954 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)c1cn(-c2ccccc2)nn1 72151008 ARDFBHVOENBMSD-UHFFFAOYSA-N 353.451 2.575 0 50 FFAA NC(=O)c1cccnc1N[C@H]1CCCN(c2nc3ccccc3s2)C1 72467892 CXXYDCUHFXWCFL-LBPRGKRZSA-N 353.451 2.871 0 50 FFAA O=C(c1ccccc1O)N1CCN(CCCc2ccccc2)[C@H](CCO)C1 72454522 IAMIQJCOANZPCA-LJQANCHMSA-N 368.477 2.534 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CC2CCCCC2)C1 15064507 KQLRLCVKJKEPJD-LJQANCHMSA-N 363.546 2.940 0 50 FFAA O=C1CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2N1CCCCO 72421525 VXFBWHKMPDTTMJ-FUHWJXTLSA-N 350.890 2.925 0 50 FFAA CC1(C)CC(CC(=O)N2CCN(c3ccccc3)C(=O)C2)CC(C)(C)N1 82106570 WRXWQIASIJQXSC-UHFFFAOYSA-N 357.498 2.809 0 50 FFAA CCCOc1ccccc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 222973785 GFWJCWQJNSWCHA-UHFFFAOYSA-N 359.470 2.885 0 50 FFAA Cc1nonc1CNCc1cc2ccc(Cl)cc2nc1N1CCOCC1 20208993 QZEJPIALPHIFFI-UHFFFAOYSA-N 373.844 2.706 0 50 FFAA COc1cccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)c1OCCCN 426685280 JZTGNKDZCDWMGO-SAJCDORXSA-N 358.482 2.931 0 50 FFAA O=C1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)CN1C/C=C/c1ccccc1 91793021 GIVUCXOYYYURRS-QTWIXLPOSA-N 368.477 2.577 0 50 FFAA Cn1ccnc1C1CCN(CCC(=O)N2CCCc3ccccc32)CC1 91745363 RNUWFHPVFUEYTO-UHFFFAOYSA-N 352.482 2.969 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(c2nc(C)cc(C)n2)CC1 95512214 RZEQFHYRNIWLTG-LJQANCHMSA-N 373.545 2.691 0 50 FFAA Cc1ccnc([C@@H](NC(=O)C2CCN(C3CCOCC3)CC2)C2CC2)c1 97759404 UHAJTODZXSHBTA-FQEVSTJZSA-N 357.498 2.848 0 50 FFAA O=C(CN1CCCCCCC1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91893565 NOLUHRNOUQISHT-OAQYLSRUSA-N 361.530 2.504 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)NCC3(CN4CCN(C)CC4)CC3)c(C)c2c1 91519013 REZXVBJBLXJUAC-UHFFFAOYSA-N 368.525 2.851 0 50 FFAA COc1cccc2ccc(CN3C[C@@H](C(=O)O)[C@H](c4cccnc4)C3)nc12 92062147 LVAWOWXBBSNLEG-ZWKOTPCHSA-N 363.417 2.939 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)/C=C/c1cccc(Br)c1 237533987 NZMGIBBKIANIHU-PFEQHQSHSA-N 359.289 2.561 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ncc[nH]1 95515330 KFHHPXUVXVUCLM-GOSISDBHSA-N 370.497 2.835 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)[C@@H]1CCC(=O)N(C2CCCC2)C1 91595611 WVDQRKLRTBYYIN-OAHLLOKOSA-N 374.485 2.567 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCC[C@H](OCc3cccnc3)C2)c1=O 91270500 VFMQCFKKRMZWPH-SFHVURJKSA-N 369.465 2.701 0 50 FFAA C[C@@H](c1nc(CC(N)=O)nn1C1CCCCC1)N1CCc2ccccc2C1 96166334 PLAGRGJPZNPFHX-HNNXBMFYSA-N 367.497 2.930 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)CCNC(=O)c2ccccc2F)C1 95505832 NBWPFDRUPDPEPN-HNNXBMFYSA-N 372.444 2.568 0 50 FFAA Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239173853 OVATWFADTCMBJK-FKAIMOKRSA-N 364.445 2.685 0 50 FFAA Cc1ncsc1CCc1nc(Cn2cncn2)nn1Cc1ccccc1 95531330 PSOUQVYTCVTYSQ-UHFFFAOYSA-N 365.466 2.516 0 50 FFAA CC(C)(C)C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(F)(F)F 181794352 JAZJTRQCYSLYSD-GFCCVEGCSA-N 359.396 2.675 0 50 FFAA Cc1cccc2cc(CO)c(N3CCC(CO)(CN4CCCC4)CC3)nc12 244633192 FYSANXQIDWWQBL-UHFFFAOYSA-N 369.509 2.710 0 50 FFAA Cc1nccn1CC1(CNC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 534633510 QVSFAPBWYNWRRG-GOSISDBHSA-N 354.454 2.835 0 50 FFAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1ccccc1Cl 299783737 XZVONNDFSPTELW-UHFFFAOYSA-N 372.856 2.609 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCO2 828166591 IPYFFMJFISXHKD-INIZCTEOSA-N 354.406 2.639 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N[C@@H](C)c3nncn3C(C)C)cc2s1 825277050 WWCPKEQIQDWOKU-JTQLQIEISA-N 365.484 2.817 0 50 FFAA CCCn1nc(C)c(CNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1C 584894318 NJOTZPXNUOFNCE-KRWDZBQOSA-N 358.490 2.728 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCCn3c(C)cccc3=O)n[nH]2)s1 952985055 AOCGWMAATKMCFE-UHFFFAOYSA-N 356.451 2.737 0 50 FFAA Cc1cccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c1 1565514606 NBXYKKSQXIKHCF-MOPGFXCFSA-N 363.461 2.696 0 50 FFAA C[C@](O)(CC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1 272757053 PMSFPARJOWLBKS-QRWLVFNGSA-N 355.438 2.951 0 50 FFAA C[C@@H](NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 169300284 QRYVAOVRYCYIPY-OJYSUCSVSA-N 357.450 2.738 0 50 FFAA O=C(O)c1cccc(NS(=O)(=O)c2cc(Cl)cc3c2OCC3)c1 170594118 JHMGCLRCYFPBOH-UHFFFAOYSA-N 353.783 2.774 0 50 FFAA CCOC(=O)c1c(C)nn(CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1C 170653987 HTOPTZGZVXSPJY-UHFFFAOYSA-N 359.426 2.961 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1CO 189172418 SMUCMGZVPIZFRY-BDAKNGLRSA-N 357.781 2.608 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1c[nH]nc1C1CC1 190451788 PCFUHDTYYKYEQQ-MRXNPFEDSA-N 368.437 2.847 0 50 FFAA O=C(C1CCC1)N1CCN(C2CCN(c3ccc(F)c(F)c3)CC2)CC1 1506427758 NEDRZAMMICCRCU-UHFFFAOYSA-N 363.452 2.878 0 50 FFAA Nc1n[nH]c(SCC(=O)N2CCCC[C@@H]2CCc2cccs2)n1 1506428814 TXXWZYNHDHZFCC-LLVKDONJSA-N 351.501 2.554 0 50 FFAA O=C(CN1Cc2ccccc2C1)N1CCCN(Cc2cccc(F)c2)CC1 1506423791 WVLVSHXIEWPITP-UHFFFAOYSA-N 367.468 2.876 0 50 FFAA Cc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cnc[nH]3)C2)oc1C 215364552 YGTYJEMRVIAJMA-APWZRJJASA-N 356.470 2.675 0 50 FFAA O=C(N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)C1(CO)CC1 1704345337 XMAYTENVRWHMDB-NRFANRHFSA-N 363.461 2.723 0 50 FFAA O=C([C@@H]1CC12CCCC2)N1CCCN(Cc2ccccc2OCCO)CC1 1772814363 VELFQLDEKKUSFP-IBGZPJMESA-N 372.509 2.672 0 50 FFAA CN(Cc1ccccc1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11840229 WHKWJLZVCRMQIO-OAQYLSRUSA-N 374.431 2.950 0 50 FFAA CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCN(CCCc2ccccc2)C1 12385138 KMOFSOKNXBXJCG-OAQYLSRUSA-N 368.525 2.908 0 50 FFAA CC1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 16527266 GJFCKXMXQYTNSH-UHFFFAOYSA-N 370.902 2.997 0 50 FFAA O=C(NCCNc1ccc(-n2cccn2)nn1)Nc1ccc(Cl)cc1 19924193 QABAMOGMDIIFDL-UHFFFAOYSA-N 357.805 2.549 0 50 FFAA Cc1nc(-c2ccc(N3CCOCC3)nc2)n(Cc2ccc(F)cc2)n1 1857679611 ZBQCQCPUSFLJOM-UHFFFAOYSA-N 353.401 2.673 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1Cl 408394035 MFUVMDXRAJXICW-VHRBIJSZSA-N 361.891 2.827 0 50 FFAA Cc1cc(C)nc(N2C[C@@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@@H]3C2)n1 247952226 YOEDKZVGZCMNCH-SJORKVTESA-N 372.856 2.999 0 50 FFAA CSc1ncc(C(=O)O)c(NC2CCN(Cc3ccccc3)CC2)n1 35287538 LSJSMDZFIJDXRB-UHFFFAOYSA-N 358.467 2.973 0 50 FFAA in-vitro O=C(Nc1cnn(C2CCNCC2)c1)c1c[nH]nc1-c1ccc(F)cc1 843458058 MTLBZIBCIXVEBA-UHFFFAOYSA-N 354.389 2.589 0 50 FFAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)C[C@@H]3CCc4ccccc43)C2)cn1 868455828 MKNBZBLTZLLETJ-BBWFWOEESA-N 367.449 2.557 0 50 FFAA FC(F)(F)[C@@]1(c2nc(-c3cocn3)no2)CCN(c2ccccn2)C1 952891989 BMOIBCFSUQGTET-AWEZNQCLSA-N 351.288 2.830 0 50 FFAA CC(C)(C)O[C@@H]1C[C@@H](CC(=O)N2CCc3c[nH]c(=N)nc3C2)C12CCC2 1875285022 ADIOQSMLJFJELJ-GOEBONIOSA-N 358.486 2.538 0 50 FFAA COc1ccccc1OCCN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875394530 LMGCKIPFKBJANE-QWHCGFSZSA-N 359.426 2.592 0 50 FFAA Cc1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@]2(c2ccnn2C)C3)cc(C(=O)N(C)C)c1 1875392756 RQMZOEHVOVRHHW-IBZMOEQTSA-N 366.465 2.737 0 50 FFAA C[C@H](NC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1cc(C(F)(F)F)n[nH]1 1875320837 MPFBCJNVRQOBJO-DTWKUNHWSA-N 368.315 2.775 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(ccc(F)c4F)C3)nn(C)c21 1875403758 AQFISTMXMMVMQT-MNOVXSKESA-N 361.392 2.919 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3cc(C)ccc3F)C2)ccn1 886056947 YIBXDWFKNRQSML-IBGZPJMESA-N 357.429 2.819 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 888102482 WRVJLUPYLSLZCD-BXKDBHETSA-N 356.797 2.691 0 50 FFAA CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)Nc1nc(C[C@H]3CCOC3)cs1)C2 2325781803 OCCXJRGCYGYIMF-XOUADPBQSA-N 364.515 2.859 0 50 FFAA C/C=C1\CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 100591986 RCEFXZXHYFOPIE-IPVBKXTCSA-N 352.434 2.567 0 50 FFAA COc1cc2ccccc2cc1CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 2325785732 LFMIELRXZGHQCA-CDHQVMDDSA-N 351.450 2.974 0 50 FFAA CCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868423 ZAAQNUIZWKALBI-VUCRHFMTSA-N 351.535 2.839 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@@H]3c3nccs3)n[nH]2)n1 11936718 ZBIHUOYOMYTXRS-OAHLLOKOSA-N 356.455 2.705 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br 625947 QFRLGWXIUVRGQK-HNNXBMFYSA-N 362.223 2.963 0 50 FFAA COc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cn1 669816 XSELZASRRWFPAQ-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA Cc1nsc(N2CC[C@H](O)[C@](CCCc3ccccc3)(C(=O)O)C2)n1 2356146658 PCXWNRKULGGPEV-MAUKXSAKSA-N 361.467 2.511 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(Cc2cccc(-n3cccn3)c2)C1 2356159215 QZLXEJJAHCCIRO-NRFANRHFSA-N 360.465 2.555 0 50 FFAA O=C(Nc1ccon1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 4858337 DPSGBUYIAWVHMT-UHFFFAOYSA-N 369.830 2.755 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cn2c3c(cccc3c1=O)CC2 55576143 LDTAEPGTLALCNA-MRXNPFEDSA-N 360.413 2.633 0 50 FFAA O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587339 HANRAQQXLAXQQZ-UHFFFAOYSA-N 372.490 2.545 0 50 FFAA Cn1cc(CN2CCCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cn1 115372362 IUAUFIJXBCRDIF-LJQANCHMSA-N 352.482 2.575 0 50 FFAA O[C@@H]1CN(Cc2cccn2-c2nccs2)CC[C@H]1N1CCCCCC1 23367587 YOUHLTGIYXZYMY-QZTJIDSGSA-N 360.527 2.745 0 50 FFAA Cc1cnn([C@H](C)CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)c1 67754579 NVJDSFAEAXUKGZ-MRXNPFEDSA-N 367.453 2.803 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1cc(-c2ccccc2)n[nH]1 67983141 XNNOTTKKYKGKMB-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA CN(C)c1nc2c(c(-c3ccccc3CN3CCOCC3)n1)CCCC2 65397935 AYOHSAXIMMARHI-UHFFFAOYSA-N 352.482 2.921 0 50 FFAA c1nc([C@@H]2CCCNC2)cc(N(Cc2ccc3c(c2)OCO3)C2CC2)n1 67854987 WNBZPMXQTCXQRD-OAHLLOKOSA-N 352.438 2.841 0 50 FFAA O=C(Cn1nc2c(cc1=O)CCCC2)N1CCC(Cc2ccccc2)CC1 61720942 CBGQFYDHNJJMBA-UHFFFAOYSA-N 365.477 2.603 0 50 FFAA O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@H](CCCc2ccccc2)C1 71767984 WSGOHYUHSMCKSU-QGZVFWFLSA-N 365.433 2.720 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72135475 YTFVCBBAPOUGJR-SFHVURJKSA-N 352.482 2.678 0 50 FFAA COc1ccccc1C(=O)N1CCN(Cc2cccc3nccnc23)CC1 72168293 RAHBLMHPJJQAKK-UHFFFAOYSA-N 362.433 2.596 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CCOc2cc(O)ccc2C1 376654170 OGOWSUBKIHVJJE-IAGOWNOFSA-N 356.426 2.677 0 50 FFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 156274158 ZXCMLNJHGOZILB-DYVFJYSZSA-N 353.426 2.559 0 50 FFAA O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1n[nH]c2ccc(Cl)cc12 332375033 ZGCYCLRRIKEGCO-JTQLQIEISA-N 360.767 2.973 0 50 FFAA COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)ncn1 157821728 QSZJAFBVARVSOZ-HNNXBMFYSA-N 368.437 2.593 0 50 FFAA Cc1cc(C)n(-c2ccc(CN3CCC[C@@H]3c3nc(N)n(C)n3)cc2)n1 283959565 HXGTWRTUMJCWRV-QGZVFWFLSA-N 351.458 2.537 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)/C=C/c1cccc(Br)c1 237503560 NZMGIBBKIANIHU-NANSOSEBSA-N 359.289 2.561 0 50 FFAA Cc1ccccc1CN1CCOC[C@@H]1CC(=O)NC1Cc2ccccc2C1 72477235 ZGBSEIZNHXLABZ-QFIPXVFZSA-N 364.489 2.870 0 50 FFAA CCCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72130749 YDFXXEREZDBRBP-FQEVSTJZSA-N 367.493 2.789 0 50 FFAA CCc1ccccc1OC1CN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 214979623 PQUPUFPCZDMKLW-UHFFFAOYSA-N 366.461 2.730 0 50 FFAA O=C(O)CCN(Cc1cccc(Br)c1)C(=O)[C@H]1CCCOC1 263259263 WFAFKRPAYAVZQS-ZDUSSCGKSA-N 370.243 2.679 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCC(OCc4cccnc4)CC3)cc2n1 77375208 LUYKNYPKYJFYKZ-UHFFFAOYSA-N 365.437 2.563 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)OCc3ccccc3)n2)c(F)c1 44900915 NIPQIMQAHUNIOL-UHFFFAOYSA-N 368.364 2.801 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(CCOc2ccccc2)CC1 82115528 XVESTJGZVJZETM-UHFFFAOYSA-N 370.497 2.863 0 50 FFAA O=C1C[C@@H](c2noc(-c3cccc4c3OCCO4)n2)CN1CC1CCC1 290068476 KXODNDHPBFQJHF-CYBMUJFWSA-N 355.394 2.624 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(C(C)=O)s2)C2CC(O)C2)cn1 223899619 FJIZSNARRXPYEU-FVKWTLKZSA-N 360.435 2.596 0 50 FFAA COc1cncc(-c2cccc(C(=O)N(C)CCc3noc(C)n3)c2)c1 426573066 KKMKVNJOVJXGPN-UHFFFAOYSA-N 352.394 2.763 0 50 FFAA CC(C)[C@H](NC(=O)c1cccc(-c2ncccc2N)c1)c1ncnn1C 426567132 SDPMIDNLKUJXGX-INIZCTEOSA-N 350.426 2.586 0 50 FFAA CCCCn1nc(CCc2ccccc2)nc1C[C@@H]1C=CS(=O)(=O)C1 96149964 RGHAYWMDUJLMMR-KRWDZBQOSA-N 359.495 2.964 0 50 FFAA Cc1cc2nc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc(C)n2n1 97301262 AFEBUEKEYDACIH-SFHVURJKSA-N 363.465 2.565 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 91625741 XSBJVRAVTOHPBG-OAQYLSRUSA-N 356.466 2.625 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2cccn2C2CC2)C[C@H]1C(=O)O 91626100 UTYSAPMKQKRMFL-JKSUJKDBSA-N 354.406 2.772 0 50 FFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC(Cc2nccn2C)CC1 162394179 KRKHURQPYKJDOF-UHFFFAOYSA-N 365.437 2.873 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3ccoc3)C2)CN1Cc1ccncc1 91493142 CFZGWBRGRWVRSU-FQEVSTJZSA-N 353.422 2.720 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@H](C(=O)O)c3cccnc3)cc2)n1 95376193 VRVBLJGRKMDRIO-SFHVURJKSA-N 364.405 2.782 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@H](C(=O)O)C2)cs1 237738363 RTKZJQAFJPXUFJ-LFAOLKIESA-N 372.446 2.977 0 50 FFAA COc1cccc(C(=O)N2CCC(c3nc([C@@H]4CCOC4)no3)CC2)c1 96152324 UEHSDFNYOXIVIZ-OAHLLOKOSA-N 357.410 2.602 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N(Cc1ccccc1)C[C@@H]1CCCO1 95518803 QCPFLWVLXSGJGO-IBGZPJMESA-N 370.493 2.987 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CN1CC2(CCCC2)CC1=O 95517662 NRRWQWXXFYVTHQ-UHFFFAOYSA-N 366.465 2.623 0 50 FFAA COCCn1cncc1CN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 252480274 BZGHWOBCTJMVAC-UHFFFAOYSA-N 357.433 2.925 0 50 FFAA CC[C@H](C)CS(=O)(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 182387954 XNEGNULDXBCCKK-RYUDHWBXSA-N 353.410 2.915 0 50 FFAA Cc1c(C(=O)NCCC(=O)NC2CCCCC2)c2cc(O)ccc2n1C 252495450 OQMLNCLDQJJENF-UHFFFAOYSA-N 357.454 2.761 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@@H]1c1cccnc1 263585850 NFSUHMZQYUYPGO-LJQANCHMSA-N 362.433 2.935 0 50 FFAA biogenic COc1ccc(CN2CCN(C(=O)N[C@@H](C)C3CCCC3)CC2=O)cc1 534648720 CDGROOVGBIMUIB-HNNXBMFYSA-N 359.470 2.628 0 50 FFAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)[C@@H](C)Cn1cncn1 1940196270 XCKCFJMELPJTPG-ZDUSSCGKSA-N 358.833 2.760 0 50 FFAA CC(C)NC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 299794762 KUOUQIRTTCXQNG-GFCCVEGCSA-N 357.435 2.665 0 50 FFAA Cc1nnc(SCC(=O)N(C)Cc2n[nH]c3c2CCCCC3)s1 299756258 KOLIBFURQFGZLJ-UHFFFAOYSA-N 351.501 2.589 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1 299765873 CQMAHPKVWXCZMO-MRXNPFEDSA-N 357.845 2.608 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3C[C@H](N(C)C)C[C@H]3C(=O)O)c2)c1 299786133 VZVSRERIHANMIT-MJGOQNOKSA-N 368.433 2.592 0 50 FFAA CCOc1ccc([C@H](CC)NS(=O)(=O)c2cc(C(N)=O)cs2)cc1 822656469 IOKFCTLRVUFNQE-AWEZNQCLSA-N 368.480 2.675 0 50 FFAA Cc1cc(CC(=O)NC[C@H]2CCCN(c3ncnc4sccc34)C2)on1 827861864 XKYQOKZLAXQOOI-CYBMUJFWSA-N 371.466 2.563 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(CC(F)F)C1 868224780 HMMABPMZEIENBY-JEWRLFTDSA-N 358.473 2.896 0 50 FFAA CCCc1nc(CN2CCC3(CC2)C[C@H]3NC(=O)c2cc[nH]n2)cs1 952893183 GNQVPJGMRVCAPN-OAHLLOKOSA-N 359.499 2.603 0 50 FFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)C1 952987927 HKDVPWZKHFUWMK-ZDUSSCGKSA-N 353.444 2.558 0 50 FFAA C=CC(=O)N[C@H](C)c1ccc(CNC(=O)c2cc(C(F)F)ncn2)cc1 1875386583 USJJWYXCIJHROS-LLVKDONJSA-N 360.364 2.707 0 50 FFAA N[C@@H]1CCc2nc(C(=O)N3CC4(CCCC4)c4cccc(F)c43)cn2C1 1875315445 VLLIJVUJXXQUMP-CYBMUJFWSA-N 354.429 2.768 0 50 FFAA COc1ccc(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 1875390503 LNOSPURTJOLMBU-UHFFFAOYSA-N 355.434 2.778 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 1875371248 UYQQPRHESUYPAR-RDJZCZTQSA-N 362.857 2.665 0 50 FFAA CCn1cc(C(=O)N2C[C@H](NC(=O)C3(C)CC3)CC[C@@H]2C)c(C2CC2)n1 1875406728 KXPCYLXYDBZZTR-DZGCQCFKSA-N 358.486 2.690 0 50 FFAA CN1C(=O)CC[C@@H](NCc2ccc3c(c2)CCCC3)[C@@H]1c1nccn1C 886093962 KXVLWKURFCZPBO-UYAOXDASSA-N 352.482 2.751 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1c[nH]nc1C1CCCCC1 1565507267 LEDXKWOZNFBGKP-IRXDYDNUSA-N 370.453 2.819 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)ccc1F 1565513637 YERSLXZVYNYRKJ-WMZOPIPTSA-N 369.440 2.966 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N[C@H]1CNCC[C@@H]1O 1565529806 NJDIXWRYKRLOAH-OALUTQOASA-N 369.465 2.543 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565525885 DOEKXADGVPPCQI-MOPGFXCFSA-N 365.477 2.956 0 50 FFAA CC(C)Oc1c(F)cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1F 408048221 WEKLGMDHDTVEPS-CVEARBPZSA-N 369.412 2.689 0 50 FFAA O=C(Nc1ccc2c(c1)CCCO2)N1CCN(Cc2cccnc2)CC1 171382546 VJPUMIHRNVXCKJ-UHFFFAOYSA-N 352.438 2.756 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)cs1 186999438 DPGOPGVQCBPPED-QGZVFWFLSA-N 368.462 2.915 0 50 FFAA COc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1Cl 1506398383 QCPHCAGTGLQVTK-UHFFFAOYSA-N 358.872 2.814 0 50 FFAA CC(C)c1noc(C2CCN(CC(=O)N3CCOc4ccccc43)CC2)n1 1529145659 DVPKMJJNJGTGFK-UHFFFAOYSA-N 370.453 2.798 0 50 FFAA CC1(C)COc2c(CN3C[C@@H](O)[C@H](Cc4cnccn4)C3)cc(Cl)cc21 1704299327 JCSBEFYMBRQHST-FZKQIMNGSA-N 373.884 2.835 0 50 FFAA COc1ccccc1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]1)CCCC2 11903548 ZIBHCNOPGWWRLP-LLVKDONJSA-N 359.451 2.777 0 50 FFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1cccs1)C2 11910899 CINNNNZLSYLBCC-SECBINFHSA-N 363.464 2.615 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C2CCN(C(C)=O)CC2)C1 11952689 ATHRHOSELLORDP-QFIPXVFZSA-N 372.509 2.885 0 50 FFAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 12138119 JQZKUSBDSAWSPP-KRWDZBQOSA-N 374.462 2.705 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)NC[C@@H]2CCCCO2)no1 12300192 VJUBKCVXJKEQTE-AWEZNQCLSA-N 354.410 2.680 0 50 FFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCCO2)CC1 12430629 WZJUHUKATXTTRX-SFHVURJKSA-N 359.466 2.970 0 50 FFAA COc1cc(CN[C@H]2CC(=O)N(C3CCCCCC3)C2)cc2c1OCO2 12430819 JQOLTYPJEIFWGC-HNNXBMFYSA-N 360.454 2.837 0 50 FFAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCC(CCc2ccccc2)CC1 12437473 GFRJSJFXZRKHRR-IBGZPJMESA-N 368.481 2.942 0 50 FFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NCC(C)C)CC2 14531811 NNWYUPITWWUKFR-QGZVFWFLSA-N 354.498 2.784 0 50 FFAA CC[C@]1(CCC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CCC(=O)N1 14992224 DNYPKFBJXZCJHO-DENIHFKCSA-N 372.509 2.668 0 50 FFAA CN(Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1)Cc1cc[nH]n1 19217896 ZWVYZDROZCXSOE-UHFFFAOYSA-N 372.432 2.854 0 50 FFAA CC1(C)CN(C(=O)c2cccc(OCC(N)=O)c2)C[C@@H]1c1ccccc1 152678345 CCMCFZAXBZDBAE-GOSISDBHSA-N 352.434 2.817 0 50 FFAA O=C(/C=C/c1ccc(F)cc1)NCCNC(=O)/C=C/c1ccc(F)cc1 2757238 AXNAEEABUVOXJK-YDWXAUTNSA-N 356.372 2.924 0 50 FFAA O=C1OC[C@]2(Cc3ccccc3)CN(Cc3cccc4ccnn34)CCN12 1857674621 QHGCXTRSROXKPW-NRFANRHFSA-N 362.433 2.584 0 50 FFAA O=C1CCCN1c1cccc(-c2nc(-c3ccccn3)nn2CCCO)c1 1857679963 CCUGJTNRQPNXFB-UHFFFAOYSA-N 363.421 2.516 0 50 FFAA Cc1noc(CNC(=O)N2Cc3cc(Br)ccc3C[C@@H]2C)n1 332148014 RMDAZKDXHRKRMO-VIFPVBQESA-N 365.231 2.797 0 50 FFAA CC[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)[C@H](O)C(F)(F)F 332730038 RDAJZHWQLKQDFL-CDMKHQONSA-N 351.752 2.709 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1cc2ccccc2s1 247930634 JMSXRJYEHUKHMW-HIFRSBDPSA-N 364.492 2.533 0 50 FFAA CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 157176202 XEDIVKACZNVVJH-MRXNPFEDSA-N 370.453 2.519 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(OCC)c(OC)c2)C[C@H]1O 1704325253 GUDNFGFBEWNFGR-MJGOQNOKSA-N 351.443 2.532 0 50 FFAA O=C(c1cccs1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697519 NXKOJJLAGZRYHW-UHFFFAOYSA-N 366.450 2.639 0 50 FFAA CN(C[C@H]1CCN(C(=O)[C@H]2CCCCS2)C1)c1ncc(Cl)cn1 2325841297 NIGNVZBVLCBVAX-TZMCWYRMSA-N 354.907 2.700 0 50 FFAA CN(C[C@H]1CCCN1C(=O)c1ccc2cccnc2c1)C(=O)c1cnco1 2325870646 IXISFYPGXMHFCG-MRXNPFEDSA-N 364.405 2.600 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2nc3cc(F)c(F)cc3s2)CC1 2325888434 SBYQINXGCQGXKV-UHFFFAOYSA-N 351.378 2.938 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 2325889777 UPWJYCDFWNJHSL-UHFFFAOYSA-N 361.405 2.883 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccncc1 790878 YDHPJYFSYSNTMZ-UHFFFAOYSA-N 354.391 2.530 0 50 FFAA CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 792119 JNYGZEGGLONHPF-UHFFFAOYSA-N 351.410 2.595 0 50 FFAA CCOC(=O)c1cc(NC(=O)c2c(C)noc2C)cc(C(=O)OCC)c1 1055472 UWIROGDPGVGMKA-UHFFFAOYSA-N 360.366 2.897 0 50 FFAA O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 1120415 ATCCJMAGBQFTIB-UHFFFAOYSA-N 373.368 2.836 0 50 FFAA O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccc(Br)cc1 2454826 USZYFXWBKRHBBV-UHFFFAOYSA-N 359.179 2.617 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ccc(C(F)(F)F)cc1F 2356158286 XOEXLJAGPCOHRY-KRWDZBQOSA-N 374.378 2.794 0 50 FFAA O=C(O)CCCn1cc(NC(=O)c2ccccc2Br)cn1 6728664 UJNPAYIAQNWBHS-UHFFFAOYSA-N 352.188 2.763 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 6742288 BBIVYBWGMMORSX-DLBZAZTESA-N 364.873 2.875 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc(CSc2ncccn2)o1)C1CC1 55196943 FFOKXSVPXUEKDN-UHFFFAOYSA-N 369.450 2.900 0 50 FFAA CO[C@@H]1CCCN(Cc2cc3n(n2)CCCN(Cc2cccc(C)n2)C3)C1 106982137 ICIVNPRXBPOPIF-OAQYLSRUSA-N 369.513 2.603 0 50 FFAA O=C(NCCc1ccc(Cl)cc1)c1c(O)c2cccc3c2n(c1=O)CC3 100621245 BLTDMCDFYKKSPK-UHFFFAOYSA-N 368.820 2.889 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cccc(CO)n4)C3)nc12 77379657 RTBVHYFAFFSQSM-CQSZACIVSA-N 350.422 2.778 0 50 FFAA Cc1ccc2cc([C@@H]3CC(=O)NCc4nc5ccccn5c43)c(=O)[nH]c2c1 65399400 DNERILHOGAKMNR-AWEZNQCLSA-N 358.401 2.636 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 67603500 XNTQMASXSJDLCR-OAHLLOKOSA-N 352.500 2.542 0 50 FFAA CN1C(=O)CCc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)ccc21 423655703 SYYZLMJPUHPYEM-UHFFFAOYSA-N 353.397 2.633 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2C)n1 67620784 GERMARRTYSHQLQ-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cccc(F)c1 67895460 JKGBSSQBWCVHEM-JOCHJYFZSA-N 370.468 2.902 0 50 FFAA O=C(CC[C@H]1CCCN(Cc2cccc(OCCO)c2)C1)N1CCCC1 12225971 WNZKHOBRWNTBQT-GOSISDBHSA-N 360.498 2.672 0 50 FFAA COc1cc(CN(Cc2cccnc2)C(C)=O)ccc1O[C@H]1CCOC1 12243960 WSPYREJAGVRYGK-SFHVURJKSA-N 356.422 2.807 0 50 FFAA Cc1nnc(SCCCNC(=O)[C@@H]2Cc3ccccc3CN2C)s1 65423505 KIXLPMYAWGDZBU-HNNXBMFYSA-N 362.524 2.502 0 50 FFAA CCc1nnc2sc(-c3ccc(CNC(=O)c4cccnc4)cc3)nn12 30822839 PBTIEDCBKBOFPJ-UHFFFAOYSA-N 364.434 2.740 0 50 FFAA Cc1cccc2cc(CO)c(N3CC[C@@H](N4CCCCCC4)[C@H](O)C3)nc12 71761396 WHFZZQKXBYJCCE-WOJBJXKFSA-N 369.509 2.851 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)C2 72170329 KAXIVFJFESCQTB-IBGZPJMESA-N 351.450 2.937 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 215171562 JDXACKOWQHCLKX-AWEZNQCLSA-N 364.873 2.720 0 50 FFAA CN(Cc1cnn(C)c1)c1nc(CCc2ccccc2)nc2c1cnn2C 72151497 PRDBZSCCFFCOMS-UHFFFAOYSA-N 361.453 2.518 0 50 FFAA NC(=O)c1nc(Cn2ccnc2-c2ccc(-c3ccccc3)s2)no1 77338322 LRSHHICMYYDQHG-UHFFFAOYSA-N 351.391 2.809 0 50 FFAA O=S(=O)(c1cnc2ccc(F)cc2c1)N1CCC[C@@H]1CN1CCCC1 329962645 SGAROPMPYJOGPB-MRXNPFEDSA-N 363.458 2.623 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 154021970 SUTJZTPPRFPBIK-CHWSQXEVSA-N 352.312 2.754 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1 366381742 QTWPUQFQSOSBOA-FAJAVTLNSA-N 370.493 2.855 0 50 FFAA O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CCc2ccc(O)cc2C1 494867240 YWDWXJJXQVJWFE-INIZCTEOSA-N 355.413 2.878 0 50 FFAA Cc1nc(N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)c2c(C)c(C)sc2n1 378001100 YXFXDEIDBCVEDH-DVOMOZLQSA-N 360.483 2.855 0 50 FFAA Cc1ncc(CN(C)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)s1 241884886 SYNWCOGWZXJDQA-PBHICJAKSA-N 355.504 2.644 0 50 FFAA CSCc1ccc(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)o1 72476962 YLTWRNDWTHCHQI-AWEZNQCLSA-N 352.500 2.716 0 50 FFAA O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CCCC1CCOCC1 375801411 JUQJRGDLPSFOIB-MSOLQXFVSA-N 354.491 2.563 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](CC(=O)O)C2)c1 262692855 AKYSHCPCISWHCO-INIZCTEOSA-N 370.405 2.755 0 50 FFAA CCCCc1nc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c[nH]1 72139070 DFAUHYSLXOBNBQ-UHFFFAOYSA-N 356.470 2.719 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cncnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72169152 BOKUJHJHZCHWES-NJDAHSKKSA-N 362.477 2.796 0 50 FFAA Cc1noc([C@@H]2CN(C(=O)[C@H](C)c3ccc(Cl)s3)CCN2C)n1 284517502 COJNQTVTTLEKRT-KOLCDFICSA-N 354.863 2.712 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)CCn4ccccc4=O)CC3)nc12 82098761 BUTIABNNPNGPRU-UHFFFAOYSA-N 364.449 2.829 0 50 FFAA CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 222742749 GNLNMEJKWWBJBM-OAQYLSRUSA-N 368.481 2.631 0 50 FFAA COc1ccc(OC(F)F)c(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)c1 263347565 OZVPOYTZARLIKS-CMPLNLGQSA-N 372.368 2.549 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc2c(c1)OCO2 220508037 ORFSQPZZRQFHON-SJORKVTESA-N 355.390 2.519 0 50 FFAA CC(=O)N[C@H](C)Cc1c(C(=O)N(C)Cc2cc(C)[nH]n2)[nH]c2ccccc12 20201789 KELHNXPNILRYCQ-GFCCVEGCSA-N 367.453 2.539 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2conc2-c2ccccc2)on1 96149232 PQLRROBMMJVTNH-PBHICJAKSA-N 353.378 2.626 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cc1 426373561 BVSNNBIRDMILGH-QGZVFWFLSA-N 355.438 2.615 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)Nc1ccc2c(c1)nnn2C 97831164 MDXGNNQMXGFWEA-GFCCVEGCSA-N 367.409 2.964 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1)CC2 91635575 SAHRIJDEWXFHIV-UHFFFAOYSA-N 365.468 2.731 0 50 FFAA CCN(C)C(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 95359554 CNSNCAOSFPJLCO-LJQANCHMSA-N 371.525 2.583 0 50 FFAA C[C@H](NC(=O)c1c(I)cnn1C)[C@@H]1C[C@H]2CC[C@H]1C2 102616579 SLVMUBMMGSEGED-NAKRPEOUSA-N 373.238 2.579 0 50 FFAA C[C@H](NC(=O)c1cccc(C2=CCCS2(=O)=O)c1)c1nc(C2CC2)no1 299756004 AJFVLWVHUQYCDN-NSHDSACASA-N 373.434 2.597 0 50 FFAA CCc1ccc(S(=O)(=O)NCc2nncn2C2CCCCC2)s1 823528987 MVHYUVXSOJDNNO-UHFFFAOYSA-N 354.501 2.886 0 50 FFAA Cc1nnsc1CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 584901786 VHNSMLHHJZFWER-ZDUSSCGKSA-N 370.438 2.943 0 50 FFAA O=S(=O)(c1ccccc1)N(CCOc1ccccc1)C[C@H]1CCCO1 828391851 LJQJQUPIFFLYPI-GOSISDBHSA-N 361.463 2.935 0 50 FFAA CCCc1noc(CN(C)C(=O)NCc2nc(-c3ccc(F)cc3)no2)n1 584890156 UDOMQIZFTSOPDP-UHFFFAOYSA-N 374.376 2.553 0 50 FFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)C1 952987918 HKDVPWZKHFUWMK-CYBMUJFWSA-N 353.444 2.558 0 50 FFAA O=C1N[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1c1cncc(Br)c1 1875291008 LFJLANWCCAIOJT-RBJBARPLSA-N 350.216 2.705 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@H]1CC[C@@H](N)c2ccccc21 1875287347 GJHIGKDCHQBZOM-UONOGXRCSA-N 368.462 2.933 0 50 FFAA Cn1nc(O)cc1C(=O)N[C@H](c1cccc(OC(F)(F)F)c1)C1CC1 1875294974 ZZTTWPASFPGGRW-AWEZNQCLSA-N 355.316 2.905 0 50 FFAA CC(C)(C)C[C@@H]1CNC(=O)N(Cc2ccc(Br)cn2)C1=O 1875290138 ZSUXMDCKBFWURH-SNVBAGLBSA-N 354.248 2.948 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)c1ccccc1OC 1875385791 BLNVZNSWDIMCFE-QZTJIDSGSA-N 368.408 2.634 0 50 FFAA CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1cnc2sccc2c1 1875362844 VZVJMILEVDGHJB-UHFFFAOYSA-N 361.448 2.556 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N[C@@H](CC1CCCCC1)C(=O)O 1875354894 SGGCCGRSIKDAGG-KRWDZBQOSA-N 359.470 2.912 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 1875316465 TVNYBZHAIROEAC-UHFFFAOYSA-N 361.327 2.654 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)CC1 1875365478 CLWRAJVOOZYIGA-OAHLLOKOSA-N 361.511 2.754 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)c1ccns1)[C@@H]1C[C@@H]2CCC[C@H]21 1875406604 ICLASHPBGVUCHJ-YZXKGSGOSA-N 359.495 2.689 0 50 FFAA CN1C(=O)CC[C@H](CNCc2ccc3occc3c2)[C@H]1c1cnn(C)c1 886081895 CQJFRSYCYBWWEV-UZLBHIALSA-N 352.438 2.866 0 50 FFAA Cc1ccc(COc2ccccc2CN2CC[C@H](O)[C@@H](C(=O)O)C2)cc1 1529114549 PFBOZOJRALMULI-OALUTQOASA-N 355.434 2.841 0 50 FFAA C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 408023107 PJIGCOSHYWWPDD-XHDPSFHLSA-N 369.433 2.625 0 50 FFAA C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 408023106 PJIGCOSHYWWPDD-NHYWBVRUSA-N 369.433 2.625 0 50 FFAA O=C(CN1Cc2ccccc2C1=O)N[C@@H]1CCCOc2cc(F)ccc21 272120908 JWYPJUWTGMDWRS-QGZVFWFLSA-N 354.381 2.812 0 50 FFAA COc1ccccc1COC1CCN(Cc2cnc(N(C)C)nc2)CC1 272344065 ISPVIDNKSPFZEA-UHFFFAOYSA-N 356.470 2.732 0 50 FFAA CC(C)n1ncc2cc(CN[C@H]3CCO[C@H](c4cncn4C)C3)cnc21 275525109 LJHYRQZNKSBTIK-WMZOPIPTSA-N 354.458 2.756 0 50 FFAA CCc1noc(C2CCC(N[C@H]3CCO[C@@H]3c3nccn3CC)CC2)n1 275548334 NCRJIVGCBXCXLR-NDTCATRNSA-N 359.474 2.994 0 50 FFAA O[C@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)c(F)c1 170942092 LZMSJEUNTBVJEM-QGZVFWFLSA-N 359.376 2.962 0 50 FFAA COc1cnccc1[C@H](C)NC(=O)Nc1ccnn1-c1cc(C)ccn1 189864730 JSWUJBANVBCFQQ-ZDUSSCGKSA-N 352.398 2.862 0 50 FFAA CCCn1c(C)c(C(=O)N2CCOC[C@@]23CCOC3)c2cc(OC)ccc21 194401487 XOISWCNIFVMTSU-NRFANRHFSA-N 372.465 3.000 0 50 FFAA Cc1cn2c(=O)cc(CN3CCCN(Cc4cccs4)CC3)nc2s1 1529187342 RYEPDUCYPMSRMW-UHFFFAOYSA-N 374.535 2.834 0 50 FFAA CCN(Cc1ccccc1)C1CCN(C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)CC1 1704316041 SXLYOLYJCODRMN-HLAWJBBLSA-N 374.525 2.676 0 50 FFAA COc1ccc(Cc2nc(CCN3CCCCC3)n([C@@H]3CCOC3)n2)cc1 1775979527 JNQWWAFOCMOWAX-GOSISDBHSA-N 370.497 2.867 0 50 FFAA Cc1ccc(CCC(=O)N2CCCN(Cc3cnc(C)cn3)CC2)cc1 1772701164 KDFOAMSWKOJZFQ-UHFFFAOYSA-N 352.482 2.761 0 50 FFAA CN(CCN1CCCCC1)C(=O)c1cn(Cc2ccccc2Cl)nn1 12228775 SVTQGWKTHSTOGT-UHFFFAOYSA-N 361.877 2.538 0 50 FFAA CSCCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 14974856 VJEKXQVMKLJOAG-HXUWFJFHSA-N 360.523 2.823 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 17841506 QFKYSQQZFNUVSM-BETUJISGSA-N 359.495 2.841 0 50 FFAA Cc1cccc(C)c1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 19770735 CHCUCRNGXDYWJU-NRFANRHFSA-N 354.494 2.861 0 50 FFAA c1ccc(CN2CCN(C3CCN(Cc4ccccn4)CC3)CC2)cc1 19831724 HTEDVUJLACDKGU-UHFFFAOYSA-N 350.510 2.864 0 50 FFAA CCOCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1cc2ccccc2s1 1857703621 PKDUVXBKXGSJOH-GJZGRUSLSA-N 358.463 2.753 0 50 FFAA O=S(=O)(c1ccc(Br)o1)N1CCCC[C@@H]1c1ncc[nH]1 408214665 OMUYUSZRYBAYAI-SECBINFHSA-N 360.233 2.681 0 50 FFAA C[C@H](C(=O)O)N(C)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 408513539 VCRSHTUKJFJQGO-RISCZKNCSA-N 369.259 2.518 0 50 FFAA COc1cccc(Oc2coc3cc(OS(C)(=O)=O)ccc3c2=O)c1 2420850 SIEMQLXJFFPTLW-UHFFFAOYSA-N 362.359 2.932 0 50 FFAA biogenic NC(=O)Cc1occc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782416 XUTDQMUOAUYISI-UHFFFAOYSA-N 362.813 2.644 0 50 FFAA CC[C@@H](CNC(=O)Cc1ccc(F)cn1)NC(=O)C[C@@H](C)c1ccco1 2325794328 YSZMBPGEUGRATF-HIFRSBDPSA-N 361.417 2.561 0 50 FFAA CNC(=O)COc1ccc(CNC(=O)C2CC(C)(c3ccccc3)C2)cc1 2325796215 BEFSKVWTIDSZNG-UHFFFAOYSA-N 366.461 2.796 0 50 FFAA Oc1cc(N2CC[C@@H](Nc3ncc(F)c(-c4ccsc4)n3)C2)ncn1 897347018 DOUHJHXXIMXMOL-LLVKDONJSA-N 358.402 2.531 0 50 FFAA O=C1NC(=O)c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 1052728 JYYJBKRMCIHZCJ-UHFFFAOYSA-N 371.201 2.678 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@]12CCCN(C)C2=O 2356140013 QBHWMYKKNMWWOZ-SFHVURJKSA-N 350.846 2.641 0 50 FFAA COCCC(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2356140124 VHVGCSMMOGOGKA-NRFANRHFSA-N 368.477 2.987 0 50 FFAA Cc1cccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C 2621006 VLDUYGPXLLGFSB-HXUWFJFHSA-N 352.434 2.792 0 50 FFAA COc1ccc(CNC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 6841356 UBENAKKVTVEDQA-UHFFFAOYSA-N 369.446 2.651 0 50 FFAA COc1cccc(S(=O)(=O)CCN2C[C@@H](C)C[C@@H]2c2cccnc2)c1 225603622 SMXXQSGCEUQKTC-HNAYVOBHSA-N 360.479 2.947 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)C1 59741057 VCPSKOJCJHLASU-QMMMGPOBSA-N 364.393 2.780 0 50 FFAA CCCCn1c(CN2CCSCC2)cnc1S(=O)(=O)CC1CCC1 20210116 ZULQKCXSHDKTIB-UHFFFAOYSA-N 371.572 2.806 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 467072022 LNONPOHYDCLAPQ-GFCCVEGCSA-N 374.395 2.659 0 50 FFAA Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@H]2c1cccc2nsnc12 65461753 XWVQXXZVGNXPMG-NSHDSACASA-N 362.418 2.961 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1)c1ccccc1-c1nnn[nH]1 67965611 COHBPQUZCUCMNK-UHFFFAOYSA-N 372.388 2.984 0 50 FFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 67622627 XGXFJMUGOYQCDV-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA CC(C)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)Cc1ccccc1 252552913 VFRWPFHZBSWWGK-KRWDZBQOSA-N 360.479 2.579 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(C)n1 65363060 PDGVVDNWWRRWHT-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1C(F)(F)F 2781047 WYTCTJKDRXCLDJ-UHFFFAOYSA-N 372.372 2.730 0 50 FFAA CC(C)[C@@H](C)NC(=O)N1CCc2[nH]c(-c3ccc(C(=O)O)cc3)nc2C1 219388121 XALZEIQGNQTITP-GFCCVEGCSA-N 356.426 2.887 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72173968 USSQLUUIHFFRPG-INIZCTEOSA-N 371.458 2.610 0 50 FFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H]1c1cccc2c1OCCO2 328770281 AACSTWJBODNCHM-CXAGYDPISA-N 353.422 2.650 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 331749771 ZXHYLTDRPXDGRS-IRXDYDNUSA-N 368.474 2.524 0 50 FFAA Cc1cccc(C[C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)C(=O)O)c1 123806036 ZUGOMWKBGGVHHO-KRWDZBQOSA-N 366.417 2.553 0 50 FFAA CN1C[C@@]2(CCCN(Cc3sc(N4CCCC4)nc3Cl)C2)OC1=O 215676056 VDKHDFULESXWGB-MRXNPFEDSA-N 370.906 2.813 0 50 FFAA O=S(=O)(CC12CCC(CC1)C2)NCc1ccc2c(c1)OCCCO2 329737056 LXDPSYXHMWXIBO-UHFFFAOYSA-N 351.468 2.848 0 50 FFAA Cc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1 72117218 OHIWRLSVTIYVIG-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)NC2CCC(C(F)(F)F)CC2)c1CC 155440212 UMXABNKDQKDMFE-UHFFFAOYSA-N 374.407 2.815 0 50 FFAA O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc2ccccc2c1O 155595711 HNQPRRLGEJAMCY-CQSZACIVSA-N 366.339 2.829 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)NCCc1csc(-c2ncccn2)n1 219784112 QUJHQQVOGWJOHH-UHFFFAOYSA-N 363.446 2.983 0 50 FFAA Cc1nn2cc(CCNC(=O)c3cc(-c4ccccc4)on3)nc2s1 77517966 YUYWATCFJDHCMH-UHFFFAOYSA-N 353.407 2.727 0 50 FFAA Cc1ccc(N(C)S(=O)(=O)c2cc(Cl)cnc2N)cc1N(C)C 156368207 QBKQGZLUKPLPEW-UHFFFAOYSA-N 354.863 2.517 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)c(OC)c1 72447881 LEGOJCLQRDTWPA-HXUWFJFHSA-N 367.445 2.795 0 50 FFAA CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(OCC(=O)O)c1 262237389 ZIRSOECVDIWHIX-UHFFFAOYSA-N 374.340 2.898 0 50 FFAA Cc1csc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72453422 XMQGRKCQHGVBMT-UHFFFAOYSA-N 372.450 2.984 0 50 FFAA O=C(c1ccc2ccccc2n1)N1CCCO[C@H](CN2CCCCC2)C1 216315872 BKAAHMQENIWOEH-GOSISDBHSA-N 353.466 2.952 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)c1 72429606 SMQYOXODMXDAIS-KRWDZBQOSA-N 369.465 2.555 0 50 FFAA COC[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccc(C)o1 173701498 FXEMVCBEVPVVFZ-GOSISDBHSA-N 370.449 2.944 0 50 FFAA C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@H]1CCCc3ccccc31)C2=O 239432767 WJFZVRPDUVZPJG-DAESXHAQSA-N 369.465 2.681 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(CCOc3ccccc3)CC2)C1 71479588 MZGXUJGUBXPAJO-GOSISDBHSA-N 371.525 2.520 0 50 FFAA O=C(O)CCN(Cc1cccc(Br)c1)C(=O)[C@@H]1CCCOC1 263259261 WFAFKRPAYAVZQS-CYBMUJFWSA-N 370.243 2.679 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(C(=O)NCc3cc(C)no3)CC2)cc1 83204293 CJYUBRYLJAPHSZ-UHFFFAOYSA-N 370.453 2.529 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cccnc2N2CCCC2)C1 177193086 CWZZMLVVUOUTLZ-MRXNPFEDSA-N 366.465 2.699 0 50 FFAA O=C(NC[C@@H]1COc2ccccc21)N1CCC2(C1)Oc1ccccc1O2 289497524 YWVQAZWTDILMTK-CQSZACIVSA-N 352.390 2.746 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3)C2)c1 426544895 CTHAIZUJUGKRRN-GOSISDBHSA-N 369.421 2.877 0 50 FFAA C[C@@]1(NC(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)CCS(=O)(=O)C1 426494517 ZBGCKENLVVZJEF-HXUWFJFHSA-N 371.458 2.596 0 50 FFAA C[C@H](C(=O)N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1)c1ccccc1 91365136 ANGYOVFGLDSGBS-SFHVURJKSA-N 371.525 2.583 0 50 FFAA c1ccc(Cn2ccnc2[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)nc1 91625959 QHIIOOALGVLANQ-HNNXBMFYSA-N 359.437 2.982 0 50 FFAA CCc1nnc(CN(C)C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)o1 426514623 ICYCCLQQXJJEBV-UHFFFAOYSA-N 365.821 2.651 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccc[nH]c1=O 91737752 DLAFXXUFASKJKY-ZDUSSCGKSA-N 369.469 2.733 0 50 FFAA O=C(NCCS(=O)(=O)c1ccc(F)cc1)C1(c2ccc(F)cc2)CC1 91848210 YFHBKBAPWFCUJO-UHFFFAOYSA-N 365.401 2.587 0 50 FFAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)cc1 95384680 LZSAZTPCPNZQNR-FQEVSTJZSA-N 369.465 2.812 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1n[nH]c3c1CCCC3)C2 91563020 YUZCJWIZGPIORC-CQSZACIVSA-N 355.438 2.507 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)n1 95517451 HWKYHKZZZWYBDO-MRXNPFEDSA-N 371.485 2.620 0 50 FFAA Cc1cccn2c(CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cnc12 97675236 LCOHAMYRISOTFK-GOSISDBHSA-N 353.397 2.924 0 50 FFAA Cc1nn(CC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c(C)c1C 95360302 OAXLTBHNBSBSCM-GOSISDBHSA-N 355.438 2.913 0 50 FFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(SCCO)cc2)C1 91986921 HXKXXXQEZURMPC-GOSISDBHSA-N 351.468 2.878 0 50 FFAA Cc1cccc(CN2CCN(Cc3cc(-c4ccncc4)no3)CC2=O)c1 244873593 WSPWGBZTENABOM-UHFFFAOYSA-N 362.433 2.889 0 50 FFAA Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1nc(-c2ccccn2)no1 244795831 ROJQWQRBFMYQHT-CQSZACIVSA-N 351.410 2.899 0 50 FFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 183741602 FNLORVPTQPYQRM-MRXNPFEDSA-N 365.441 2.716 0 50 FFAA COc1cncc([C@H](NC(=O)Cc2cc(F)ccc2F)[C@H]2C[C@H](O)C2)c1 253378363 CJDWFPJAUFVLGC-KPAZRMRSSA-N 362.376 2.539 0 50 FFAA COc1cc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)cc(Cl)c1OC 299267037 KAMDWWBTXWJDNI-YBJDMEARSA-N 353.802 2.836 0 50 FFAA Cc1ccc([C@]2(C)NC(=O)N(Cc3nc4ccccc4nc3C)C2=O)o1 299686178 UZOKBSTUWDQMDO-IBGZPJMESA-N 350.378 2.807 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H](CN)C1 299740018 USIKLWYVHKCZFE-VHSXEESVSA-N 361.667 2.677 0 50 FFAA O=C(c1ccccc1F)N1CCCN(CCn2cc(Cl)cn2)CC1 459289973 LBILSBABWHVMIW-UHFFFAOYSA-N 350.825 2.524 0 50 FFAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N(C)[C@H](C)c2ccccn2)c1 185136609 ATSGCMXPTWSMLF-LLVKDONJSA-N 352.387 2.609 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CC1=CSC2=NCCCN12 299771501 PLQHLGBDRPNUHX-QGZVFWFLSA-N 370.522 2.542 0 50 FFAA CCN(C(=O)Nc1ccc(OCc2cccs2)cc1)[C@H]1COC[C@@H]1O 299794214 JHFCCXYMATUUSH-IRXDYDNUSA-N 362.451 2.941 0 50 FFAA O=C(c1ccc(CSc2ncccn2)o1)N1CCC[C@@H]1Cn1cccn1 65417628 JNDXKPVLPATNLI-CQSZACIVSA-N 369.450 2.863 0 50 FFAA Cc1cc2cc(NC(=O)NC[C@H]3CCCN(S(C)(=O)=O)C3)ccc2o1 299755369 HZEOVPLFSAVETJ-CYBMUJFWSA-N 365.455 2.534 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1ccc(F)c(C(F)(F)F)c1 828710767 CJUYSMYAOJMGSH-GFCCVEGCSA-N 363.355 2.813 0 50 FFAA O=C(CCCOCc1ccccc1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 828013107 RJCOHVFLZQXOJZ-GOSISDBHSA-N 370.449 2.997 0 50 FFAA COc1coc(C(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc1=O 670462616 WDVPIXJTHKEABI-KRWDZBQOSA-N 355.394 2.960 0 50 FFAA COc1cc(-c2cccc(-c3c[nH]c(=N)[nH]c3=N)c2)cc(OC)c1OC 1875376413 WGUAQXJXQFYSCS-UHFFFAOYSA-N 352.394 2.662 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)CC1 1875367052 UBIHDJVRFAZOSL-GFCCVEGCSA-N 362.857 2.877 0 50 FFAA COc1cc(F)c(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1OC 952985877 IEBOLASLCBUPPR-CQSZACIVSA-N 362.401 2.830 0 50 FFAA Cn1cc(-c2ccccc2)c(NC(=O)N2CCC[C@@H](n3ccnn3)C2)n1 886088677 IVQPEHLPGNOEEC-OAHLLOKOSA-N 351.414 2.548 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCO[C@H](c2cncn2C)C1 275639474 SUHWUFXGBGBQSW-OGWOLHLISA-N 357.454 2.980 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)CCc1ccncc1)CC2 275759324 RJZPHCREXXMFOL-QGZVFWFLSA-N 370.522 2.984 0 50 FFAA O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1CNCCO1 187240607 MTABTIHQCVQRME-MRXNPFEDSA-N 353.447 2.814 0 50 FFAA COC(=O)c1sc2nc([C@H]3COc4ccccc4O3)[nH]c(=O)c2c1C 170616539 PLHYDQNHVSEWES-LLVKDONJSA-N 358.375 2.592 0 50 FFAA CCn1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1=O 194803351 TWYPXTQBAUWXTD-LBPRGKRZSA-N 354.410 2.636 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCC(c3ccncc3)CC2)CC1 1506406919 RZYNHRPGDHHGRU-UHFFFAOYSA-N 350.466 2.961 0 50 FFAA O=C(c1cc(C2CC2)no1)N1CCCN(Cc2ccc3c(c2)CCO3)CC1 1529155008 MQNPBDXCHFHRIM-UHFFFAOYSA-N 367.449 2.835 0 50 FFAA O=C(CCC(F)(F)F)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529181908 RDPSWORHLSQPKD-CZUORRHYSA-N 352.356 2.939 0 50 FFAA O[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1Cc1ccc2ccccc2n1 1704350883 QPWGQRQGKUKOAO-DNVCBOLYSA-N 356.857 2.620 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1704297482 AQAHLWYDNHKDKZ-ACJLOTCBSA-N 365.499 2.586 0 50 FFAA CC[C@@H](C)Cc1nc(-c2cccc(S(C)(=O)=O)c2)n(-c2ccnn2C)n1 1772807917 WBHROLINTTVRNJ-CYBMUJFWSA-N 373.482 2.660 0 50 FFAA O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccccc2)on1 12438562 UOQVRRKGIGTDSJ-UHFFFAOYSA-N 362.389 2.874 0 50 FFAA CN(C)CCN(C)c1ccc(-c2nc(COc3ccccc3)no2)cn1 12752508 FGWPMLFUTMDRAR-UHFFFAOYSA-N 353.426 2.708 0 50 FFAA CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ncccn2)CC1 13328612 RHSWLNQOCUGBML-UHFFFAOYSA-N 362.433 2.991 0 50 FFAA Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C 13468056 SHFDPEZBPLGBBZ-UHFFFAOYSA-N 374.437 2.805 0 50 FFAA COC1CCN(C(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 14964893 NGHWFGOESCRQLN-HNNXBMFYSA-N 364.873 2.716 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccnc1 16652229 XKAJPWZOWCTNJT-UHFFFAOYSA-N 362.227 2.933 0 50 FFAA CN(CCN1CCCCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 19741401 LGWRONXHAOKQIM-RTWAWAEBSA-N 357.542 2.531 0 50 FFAA COc1ccc(OC)c(CN2CCN(C(=O)Cc3ccccc3)CC2)c1 19774065 OWLZPICDQWQDJN-UHFFFAOYSA-N 354.450 2.591 0 50 FFAA CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860657 PCFWPVUYKHGEKE-AWEZNQCLSA-N 372.918 2.797 0 50 FFAA Fc1cccc(CN2CCCN([C@@H]3CCOC4(CCNCC4)C3)CC2)c1 1857670203 ATMBQMXLWJQTKD-HXUWFJFHSA-N 361.505 2.635 0 50 FFAA CCC(CC)(CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)C(=O)O 236844794 BFMCYTJWDOBHNV-KRWDZBQOSA-N 358.438 2.958 0 50 FFAA Cc1cc(F)cc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 155812727 FUCUGCDXJVLSMY-UHFFFAOYSA-N 352.413 2.968 0 50 FFAA O=C(NCCNc1ncnc2sccc12)c1ccc(NCC2CC2)nc1 800689037 CLIBUASKRKNVMM-UHFFFAOYSA-N 368.466 2.750 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(c2nc(CO)cs2)CC1 2100544970 DEKFWHHPBMFKDB-UHFFFAOYSA-N 374.510 2.913 0 50 FFAA O=C(c1cnc(O)c(C(F)(F)F)c1)N1CCC(Cc2cc[nH]n2)CC1 2325781092 KIXNEGGMSSROML-UHFFFAOYSA-N 354.332 2.624 0 50 FFAA CC(C)c1nn(C)cc1C(=O)NCC1CN(C(=O)[C@@H](C)C2CCCC2)C1 2325843105 UNIGQGRRPIUCFS-AWEZNQCLSA-N 360.502 2.558 0 50 FFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@H](C)c1nc([C@H](C)O)n[nH]1 2325851703 GTMADRORWFRGFJ-ZJUUUORDSA-N 359.817 2.859 0 50 FFAA COc1cccc([C@H]2CNCCN2C(=O)c2cc3cc(Cl)ccn3n2)c1 2325859307 UUAYAOMSBLYNKP-GOSISDBHSA-N 370.840 2.783 0 50 FFAA CN1C(=O)N(C[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)S(=O)(=O)c2ccccc21 2325867959 KDOWHIQCAQFRGK-GRYCIOLGSA-N 356.394 2.929 0 50 FFAA O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@@H]2C[C@H]1CN2C1CC1 2325870199 MTTQTHCWZMGDIX-ROUUACIJSA-N 354.475 2.963 0 50 FFAA C[C@@H](NC(=O)CN1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 29704071 OGQMDBMRMZHKQD-GOSISDBHSA-N 365.477 2.712 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)c(OC)c1 723654 ADDSTRDZHDTZST-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@@H](c3ccco3)C2)cc1 805075 YPBMFXYFLGKMNN-MRXNPFEDSA-N 361.423 2.739 0 50 FFAA CCc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 2870699 XYGBYWZFSNKHGP-OAHLLOKOSA-N 360.479 2.892 0 50 FFAA CC(=O)N[C@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356157427 KFIJDABLNHXNBL-ZDUSSCGKSA-N 363.801 2.798 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)nc3onc(C)c23)C1=O 2356166365 UZVIWJTWLDICIX-HXUWFJFHSA-N 370.453 2.847 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)c(OC)c1 8217560 BTAFVCGHHYJHDJ-LBPRGKRZSA-N 358.369 2.835 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)n2CC(C)C)cc1 9095826 WXYSDSBOWUGCQN-UHFFFAOYSA-N 361.471 2.932 0 50 FFAA COc1ncccc1NC(=O)C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 134360817 LCBKGOYJJULFIJ-IIBYNOLFSA-N 365.433 2.957 0 50 FFAA CC(C)C(=O)[C@@H]1C(=O)N(C(=O)NC(=O)c2ccccc2)c2ccccc21 101173047 DLODQFZMFNLOGX-MRXNPFEDSA-N 350.374 2.892 0 50 FFAA CC(C)[C@@H]1CCCCN1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 117348383 PUEONXJGRDCDPQ-FQEVSTJZSA-N 371.525 2.918 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNc2ncc(C)c(-c3cnn(C)c3)n2)n1 23506992 PKXBJBYHCCDFIM-UHFFFAOYSA-N 363.347 2.915 0 50 FFAA CCn1nc(CO)c2c1CCN(Cc1ccc(CCC(C)(C)O)cc1)C2 72436654 GRGZSEKYZOECNA-UHFFFAOYSA-N 357.498 2.657 0 50 FFAA COc1ccc(C(=O)N2N=C(c3ccccn3)C[C@]2(O)C(F)(F)F)cc1 22170788 HCVSUGNUFNEYLP-INIZCTEOSA-N 365.311 2.591 0 50 FFAA COc1cc(Cl)c(CN2CCC(N3CCC[C@H](O)C3)CC2)cc1OC 65423152 ONIRHLQZURVOSZ-INIZCTEOSA-N 368.905 2.778 0 50 FFAA COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@H]1CCc3ccccc31)C2 65397609 RHXBZOJTMICSLJ-OAHLLOKOSA-N 353.422 2.522 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1)[C@H]1CCCO1 252680090 VULBPGYURAJVDI-QJPTWQEYSA-N 356.875 2.690 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)[C@H](C)c2ccc3c(c2)OCCO3)c1C 65419726 OHNZVWIDWRMBBN-CQSZACIVSA-N 372.469 2.923 0 50 FFAA CCn1cc(NC(=O)c2c(F)cccc2F)c(C(=O)NCc2ccco2)n1 2795428 LJCQOMGOCXEBSW-UHFFFAOYSA-N 374.347 2.957 0 50 FFAA CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1c(C)cc(C)cc1C 32919246 ZKZFBJOVBPDYPK-CQSZACIVSA-N 359.513 2.575 0 50 FFAA O=C([C@H]1CCCO1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 328602726 CMYIKWWGTXOFPI-JXXFODFXSA-N 353.422 2.796 0 50 FFAA CCn1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 219434613 IXHUPFHNHFUDHS-YVNUBYTISA-N 350.422 2.693 0 50 FFAA CC[C@@H]1CN(C(=O)CN2CCCCC2)CCC(=O)N1Cc1ccccc1 71589539 OSGPFLKFUQLXAK-LJQANCHMSA-N 357.498 2.512 0 50 FFAA COc1ccc(F)c(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 36379399 QKFSUBCLCGFCLI-HXUWFJFHSA-N 372.484 2.946 0 50 FFAA CN(CCN1CCCC1)Cc1ccccc1OCC(=O)N1CCCCC1 219948110 FYZXMVXPDZRPBW-UHFFFAOYSA-N 359.514 2.606 0 50 FFAA Cc1cc(C(=O)N(C)C2CCS(=O)(=O)CC2)c2ccc(C)c(C)c2n1 77554492 DQTRPMNIEDNMSP-UHFFFAOYSA-N 360.479 2.809 0 50 FFAA O=C(c1cc2cc(Cl)ccn2n1)N1CCC(N2CCCCC2=O)CC1 367390148 ZPHRBOBMOFNIGK-UHFFFAOYSA-N 360.845 2.605 0 50 FFAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1C 331589002 GTWRBEQKOBBJGT-TZMCWYRMSA-N 357.462 2.946 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)CCC4CC4)C3)CCC2=O)cn1 77485278 OEAQITHVYKTHSX-OAQYLSRUSA-N 370.497 2.706 0 50 FFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCc2[nH]c3ccccc3c2C1 219847021 BZZOOOUNYNBKFE-UHFFFAOYSA-N 358.401 2.845 0 50 FFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCC[C@@H]3CO)c2c1 77339130 ZNLNQEHKZHXHBG-QGZVFWFLSA-N 355.482 2.737 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc2c(s1)CCCC2 48678537 USUCRSINPMABOE-UHFFFAOYSA-N 366.446 2.884 0 50 FFAA Cn1nccc1[C@H]1[C@H](NC/C=C/c2ccc(F)cc2)CC(=O)N1C1CC1 284663565 WBKZCFPLCRXBAS-REUWKZPGSA-N 354.429 2.667 0 50 FFAA CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1[nH]c(CC)nc1C)CC2 14541166 KXKWPMGSIBDGEI-UHFFFAOYSA-N 373.501 2.868 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)CN1CCOc2ccccc2C1 222271254 YBKWKMBDJRLVBQ-OAHLLOKOSA-N 357.479 2.840 0 50 FFAA COCCN1CCN(C(=O)N[C@H](C)c2ccc3cc(OC)ccc3c2)CC1 426528058 RVBWSPILRGJCRK-MRXNPFEDSA-N 371.481 2.883 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccc(C)c(OCCCN)c2)cc1O 426497220 KSOBHKCEZMQZCS-UHFFFAOYSA-N 358.438 2.709 0 50 FFAA C[C@H](Cn1cccn1)NC(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 426668971 IOSRQAKXNYYWEE-MRXNPFEDSA-N 364.453 2.832 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)NCCc1ccccc1F)CC2 91462494 MQNXHGRUVBJIOS-UHFFFAOYSA-N 361.461 2.802 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)C1 426405510 MAQMSZVQKAPZHI-IBGZPJMESA-N 364.445 2.887 0 50 FFAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95367285 UONXXFVTSAHCAU-IBGZPJMESA-N 371.433 2.813 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)c1ccccc1)CC2 92061734 GWFGKPHCXHAOAC-QGZVFWFLSA-N 358.482 2.668 0 50 FFAA COc1ccc(OC[C@@H](O)CNC(=O)c2cc3cc(C)ccc3n2C)cc1 97813658 KEWYFJUIEFZRTF-INIZCTEOSA-N 368.433 2.665 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)no1 91574616 QRSJTDWCWKRIRW-GFCCVEGCSA-N 360.483 2.522 0 50 FFAA O=C(Cc1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91468259 YKWLTWNFKQXZND-DOTOQJQBSA-N 362.420 2.757 0 50 FFAA O=C(O)C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(F)cc1 95498402 PJTXOYZKKOWICI-INIZCTEOSA-N 354.337 2.613 0 50 FFAA O=C(COC[C@H]1CCCCO1)N1CCC(O)(c2ccc(Cl)cc2)CC1 244853058 VEKMBXIXYVDJBX-QGZVFWFLSA-N 367.873 2.736 0 50 FFAA CCOC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1ccc(O)nc1 184367437 UYIFHZZPHIJXMW-GOSISDBHSA-N 364.401 2.845 0 50 FFAA O=C(c1cc(Cn2cccn2)on1)N1C[C@H]2CCCN2Cc2ccccc21 298251926 DSPFIHKNKNGZMP-MRXNPFEDSA-N 363.421 2.544 0 50 FFAA CC(C)OCCN1CCN(C(=O)c2scnc2C2CCCC2)CC1 185022287 YSGFMGKLBYJCLO-UHFFFAOYSA-N 351.516 2.984 0 50 FFAA Cc1nc2sccn2c1C(=O)NC[C@]1(c2ccc(F)cc2)CCOC1 65370402 GCIAMIXKPOQVTC-GOSISDBHSA-N 359.426 2.931 0 50 FFAA O=C(Nc1ccnn1C1CCCCC1)N[C@@H]1CCCN(c2cnccn2)C1 299773233 AZYKKUHGWUWPSP-OAHLLOKOSA-N 369.473 2.969 0 50 FFAA CN(CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)Cc1ccccn1 299761055 QNCOCHFJDCNCSL-UHFFFAOYSA-N 363.465 2.796 0 50 FFAA Cc1nc(CC(C)C)cc(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)n1 299778976 IXOZXWPVGKICHL-LBPRGKRZSA-N 366.425 2.920 0 50 FFAA O=C(CCN1CCCCCC1=O)NC1CCN(c2ccccc2F)CC1 299777655 KIOCLSUKLRJMDW-UHFFFAOYSA-N 361.461 2.703 0 50 FFAA Cc1ccc(N(C)C)cc1NC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 299762395 VUPYSSIOVHEBIA-SFHVURJKSA-N 373.545 2.552 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1scnc1C 299766409 IRDCEEVBTIUNGI-UHFFFAOYSA-N 374.466 2.717 0 50 FFAA COc1nc2c(cc1C(=O)N[C@H](C)CN1CCc3ccccc3C1)CCC2 824845394 BMBXZZCYVWQOLI-OAHLLOKOSA-N 365.477 2.756 0 50 FFAA C[C@@H](CNC(=O)N1CCC(O)(CO)CC1)Cc1cccc2ccccc12 584888350 QYNXRVIOAVOKLW-MRXNPFEDSA-N 356.466 2.547 0 50 FFAA CCCn1ncnc1-c1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 584893431 YHRPPNKMAVEJAE-MOPGFXCFSA-N 362.433 2.743 0 50 FFAA COCCOc1cc(C)ccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875293660 YKDZTNFQCHKJIK-UONOGXRCSA-N 373.453 2.696 0 50 FFAA Cc1nc(C(=O)O[C@@H]2CCCC(=O)N(C)C2)nn1-c1ccccc1C(C)C 1875307848 NDKLRYPSQHXMLH-OAHLLOKOSA-N 370.453 2.867 0 50 FFAA Cn1c(Cl)cnc1S(=O)(=O)N1CC2(CCCC2)[C@H]1c1ccco1 1875404330 FNBZQZHGIGWDOB-CYBMUJFWSA-N 355.847 2.973 0 50 FFAA Cc1cccc(OCCN(C)C(=O)c2nn(C)c3c2C[C@@H](C)O[C@H]3C)c1 1875402003 YFRWWMVUTVPEFF-CABCVRRESA-N 357.454 2.902 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N(Cc1c(C)nn(C)c1C)C1CC1 952987904 OQFHQXKJBNWXAW-UHFFFAOYSA-N 363.483 2.707 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cccc(-n2cccn2)c1 886071852 COBIAGMOSHZMGJ-ICSRJNTNSA-N 351.454 2.842 0 50 FFAA Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2CCCO[C@H]2C(C)C)cc1F 408499129 MEEJDLDPIXPMCH-NHYWBVRUSA-N 361.410 2.529 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccnc2ccncc12 185834915 LKOBFYPBLPVHAH-QGZVFWFLSA-N 374.444 2.593 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1nccc(N)n1)CC2 276235108 FDXGDJZWFPHIRN-MRXNPFEDSA-N 371.510 2.524 0 50 FFAA NC(=O)c1ccccc1CC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 192050032 PUKPDCBHZNIYLU-OAHLLOKOSA-N 371.868 2.767 0 50 FFAA COc1ccccc1-c1nc(CN2CCS(=O)(=O)C[C@@H](C)C2)cs1 192107202 WJWDDUOFNDDIEM-ZDUSSCGKSA-N 366.508 2.685 0 50 FFAA O=C(CCc1cccc(OC2CCCC2)c1)N1CCOC[C@]12CCOC2 194443373 CGCRNWWCQZWICG-OAQYLSRUSA-N 359.466 2.959 0 50 FFAA CCC(CC)n1nccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 1506407759 PYJJKXGDVAPSGQ-UHFFFAOYSA-N 364.471 2.892 0 50 FFAA O=C(Nc1nc2c(s1)CCCCCC2)c1cn(C[C@H]2CCCNC2)nn1 1529180206 CSPCVSYNDHRNBT-ZDUSSCGKSA-N 374.514 2.646 0 50 FFAA CC[C@H](C)n1nc(C)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1 1529180715 JJTVQNBLJCJSMS-ZDUSSCGKSA-N 353.430 2.758 0 50 FFAA O=C(NCC1CCOCC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772811406 URDRGBTUGDAPFR-HNNXBMFYSA-N 357.479 2.853 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(C1CCN(c3ccc(Cl)cc3)CC1)C2 1772704009 OMSVVQUBRVFMRZ-KUHUBIRLSA-N 364.873 2.732 0 50 FFAA Cc1cc(C(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)nn1C 11874218 WRTSVFYPOAQVHO-IBGZPJMESA-N 354.498 2.755 0 50 FFAA NC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12093978 GWFHOIOLOISORN-MRXNPFEDSA-N 364.445 2.625 0 50 FFAA COC(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1C 14399923 YHNQJHFIPPUMHT-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA COCc1noc(-c2ccc(N(C)C[C@H]3Cc4ccccc4O3)nc2)n1 14972630 DFPXGBMHVCRQJU-OAHLLOKOSA-N 352.394 2.718 0 50 FFAA CC[C@H](C)[C@H](C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1)n1cnnn1 1857525740 OISRNGRBSAUCAE-RRQGHBQHSA-N 367.457 2.890 0 50 FFAA CCCOc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccc[nH]1 1857692275 XBTBORXDYYLJBR-ROUUACIJSA-N 367.449 2.819 0 50 FFAA O=C(NCc1ccccc1OCc1ccccc1)[C@H]1CCc2ncnn2C1 1857706054 IITUZYMHJAJOPB-SFHVURJKSA-N 362.433 2.736 0 50 FFAA c1cc(-c2nccn2CCc2noc([C@H]3CCCO3)n2)n2nccc2c1 1857709451 YGALGJRLUCNGHZ-OAHLLOKOSA-N 350.382 2.675 0 50 FFAA CC(C)(C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1ccccc1 1857730005 MHNKVMXUGBNWFK-DZCCDHAISA-N 368.521 2.970 0 50 FFAA C[C@H]1CCc2c(sc3ncnc(SCC(=O)N4CCOCC4)c23)C1 781899 GMLHCMSWOCTXHR-NSHDSACASA-N 363.508 2.767 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 739622877 UJSQAFBNLUMUSP-NPPFBWRTSA-N 363.413 2.765 0 50 FFAA CN(C(=O)CN1CCOc2ccc(Cl)cc21)[C@H]1CCCc2c1cnn2C 155151361 HDZXRUMSWJLUSX-HNNXBMFYSA-N 374.872 2.808 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 911246472 SXCPTLJNZHPSFZ-IBGZPJMESA-N 372.856 2.572 0 50 FFAA Cc1nc2c(C(=O)N[C@H](Cn3ccnc3)c3ccccc3)ccnc2n1C 2100480612 JXWKLLIJVVGBDE-QGZVFWFLSA-N 360.421 2.645 0 50 FFAA Cc1nnc(N(C)S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)s1 2325771080 KFAOKWUBAZEIHJ-UHFFFAOYSA-N 355.338 2.830 0 50 FFAA N[C@H]1CN(Cc2nc(O)c3c4c(sc3n2)CCC4)Cc2ccccc21 2325777282 SGTMTEIVPDLLRX-AWEZNQCLSA-N 352.463 2.901 0 50 FFAA Oc1ccc(Oc2ccc(N3CCC(Oc4cnccn4)CC3)nn2)cc1 2325807282 NQKPGJQEUANIQZ-UHFFFAOYSA-N 365.393 2.812 0 50 FFAA O=C1NC(C(=O)NCc2cc3c(s2)CCC3)=C[C@@H](c2ccccc2)N1 2325815492 NXARSKNIOSKVHO-HNNXBMFYSA-N 353.447 2.791 0 50 FFAA CNC(=O)[C@H]1CCCCN1C(=O)c1cccc(Br)c1Cl 136059341 IGFFDFATCVUUOB-LLVKDONJSA-N 359.651 2.843 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)cc1 835360 RRDTWDUUPIFUBN-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)C(=O)CCc3c[nH]c4ccccc34)C[C@H]2CC1=O 2356145469 NYHZRYOQIMWBTE-BBWFWOEESA-N 353.466 2.816 0 50 FFAA O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NCc1ccccc1 2870704 MYBUJYBPZPOUQO-UHFFFAOYSA-N 361.327 2.675 0 50 FFAA O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1Cc1ccccc1 100792409 YCYHVDGHJIQNDH-FQEVSTJZSA-N 359.429 2.854 0 50 FFAA biogenic CCCCc1nc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c[nH]1 23145961 VJSWFARTAAKVIU-FQEVSTJZSA-N 371.529 2.525 0 50 FFAA COc1ccc2c(c1)C=C(CN[C@H]1CCCc3nc(N(C)C)ncc31)CO2 55224713 MCWZYVJGPZGXIW-SFHVURJKSA-N 366.465 2.994 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 55755938 DIEBPSSEVGBLHG-HNNXBMFYSA-N 357.454 2.554 0 50 FFAA O=C(CCN1CCCCO1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 55182776 RSDGLGZKAMHUTO-INIZCTEOSA-N 356.426 2.818 0 50 FFAA Cc1ccc([C@@H](NC(=O)CN2CCCN(C)CC2)c2cccnc2)c(C)c1 65451514 LTPHMJNNBYCLIP-QFIPXVFZSA-N 366.509 2.542 0 50 FFAA CC(C)N1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 67871791 UTBJFAQGZIOJRA-UHFFFAOYSA-N 357.542 2.930 0 50 FFAA COc1cc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc(Cl)c1O 20997236 DIVVFHLEFSZQAY-INIZCTEOSA-N 370.921 2.969 0 50 FFAA Cc1ccc(OC[C@H](O)CNC(=O)c2cccc(-n3cccn3)c2)c(C)c1 77541376 QHHBURGBRVEQDZ-LJQANCHMSA-N 365.433 2.659 0 50 FFAA Cc1ccc(C2(c3noc(CN4CCC[C@H](C(N)=O)C4)n3)CCCC2)cc1 11840561 RCVPNUKCVVIPCX-INIZCTEOSA-N 368.481 2.935 0 50 FFAA CCCOC(=O)N1CCC2(CC1)CN(C1Cc3ccccc3C1)CCN2C 67946667 RSNWKRLSYDNBQV-UHFFFAOYSA-N 371.525 2.782 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3noc([C@@H]4CCCO4)n3)[nH]n2)s1 67967594 RJKFNIUADYNUCS-LBPRGKRZSA-N 359.411 2.611 0 50 FFAA Cc1noc([C@H]2CN(C(=O)[C@H](C)c3ccc(Cl)s3)CCN2C)n1 284517505 COJNQTVTTLEKRT-MWLCHTKSSA-N 354.863 2.712 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@H]1CC2(CCNCC2)CN1 72165066 VRPZHQZLFGRMJS-GOSISDBHSA-N 374.916 2.520 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CCO1 328594726 AKEXRYUDGSQVCB-IBGZPJMESA-N 364.401 2.615 0 50 FFAA O=C(NCCCn1ccnc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 33927494 KMIYIADPPURUNQ-CAPFRKAQSA-N 374.444 2.861 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)nc(C)n1 332337744 OBJTWUNUPURHRK-LLVKDONJSA-N 353.348 2.855 0 50 FFAA Cc1c(CN2CCC[C@@H](Cn3ccnc3)C2)c(=O)n(-c2ccccc2)n1C 72164262 ZUSMULHZCMQLJT-GOSISDBHSA-N 365.481 2.593 0 50 FFAA O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCO[C@@H](CCCc2ccccc2)C1 71767985 WSGOHYUHSMCKSU-KRWDZBQOSA-N 365.433 2.720 0 50 FFAA O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccnc(-n2cccn2)c1 152269876 KYXSJIMQFCZOLO-LJQANCHMSA-N 361.449 2.662 0 50 FFAA O=C([C@H](O)c1cccc(Cl)c1)N1CCN(Cc2cccc(F)c2)CC1 72426833 VUVYYKWBWRJPCH-GOSISDBHSA-N 362.832 2.857 0 50 FFAA COc1ccsc1C(=O)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435575783 SZVQDBGIOMBHTM-CYBMUJFWSA-N 363.508 2.998 0 50 FFAA CCN(CC)C[C@H](O)COc1cc(CNC2CCCC2)ccc1OC 12716233 FNCPDXRXDUYFGD-SFHVURJKSA-N 350.503 2.809 0 50 FFAA COc1ccccc1C[C@H]1CCCN1C(=O)Nc1c(C)ccn(C)c1=O 155301875 KXHZNJROWXTTQX-MRXNPFEDSA-N 355.438 2.941 0 50 FFAA COCC[C@@H](C)NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 155732177 UXTZDMKPSMMCIJ-HWPZZCPQSA-N 354.859 2.810 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@](O)(CN(C)C)CC3)c2c1 77518456 OARUYHFQUHIZPV-NRFANRHFSA-N 355.482 2.770 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCNC(=O)[C@H]2Cc2ccccc2)cc1 72435684 GMFRLVSAECAVJK-OAQYLSRUSA-N 366.505 2.933 0 50 FFAA O=S(=O)(CC[C@@H]1CCCO1)N1CCC(c2c[nH]c3ncccc23)CC1 157147315 CAHLCIHVRPXVGS-HNNXBMFYSA-N 363.483 2.641 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1S(C)(=O)=O 378257628 CEWBJTAYCQBEOS-UHFFFAOYSA-N 358.463 2.813 0 50 FFAA CC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 72146283 XOIWVDCCEVWXIE-LJQANCHMSA-N 359.470 2.998 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(C)C2 72161777 LUIJUEPGLPAIRE-ZDUSSCGKSA-N 365.499 2.586 0 50 FFAA CCCn1c(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc2ccccc21 263069197 YBHNLAXRCITGBS-MRXNPFEDSA-N 358.438 2.909 0 50 FFAA C[C@H]1C[C@@H](c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)CCN1C 239667415 BPWGLWVWJSJTQZ-IHRRRGAJSA-N 366.462 2.576 0 50 FFAA CCC(CC)c1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 47988890 ZBPWYIRIJWQFQX-UHFFFAOYSA-N 353.492 2.774 0 50 FFAA CC1=C(C)C[C@H](C(=O)Nc2sc(C)c(C)c2C(N)=O)[C@@H](C(=O)O)C1 17072719 CXJGDABQUUDLPG-RYUDHWBXSA-N 350.440 2.850 0 50 FFAA CN(C)S(=O)(=O)c1cccc(CN2CCC[C@@H](c3ccncc3)C2)c1 289307488 IWQQFECSKPKSKQ-GOSISDBHSA-N 359.495 2.712 0 50 FFAA Nc1nccc(-c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)n1 426504609 PMCWFGJQDAQOIA-UHFFFAOYSA-N 365.481 2.816 0 50 FFAA Cc1ccc2nc([C@@H](NC(=O)NC3(C(N)=O)CCCC3)C(C)C)[nH]c2c1 426425487 SJGOHXHKXJFYHO-HNNXBMFYSA-N 357.458 2.666 0 50 FFAA C[C@H](Cc1ccccn1)NC(=O)N1CCN(CCc2ccccc2)CC1 426598900 OILNZSYWNIZSRG-GOSISDBHSA-N 352.482 2.583 0 50 FFAA Cc1ccc(NC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c2cccnc12 426510266 NPLMZKBLUBSZNM-KRWDZBQOSA-N 368.481 2.854 0 50 FFAA COc1ccc(NC(=O)N[C@H](c2cccc(C)n2)C2CC2)cc1C(N)=O 426614985 BDZDOQMGBRDSGO-KRWDZBQOSA-N 354.410 2.770 0 50 FFAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 91665418 OUPDDXLMIBWKJL-UXHICEINSA-N 366.505 2.915 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCCC2)cc1 95387448 YLLMXDYEAHVAEO-IBGZPJMESA-N 357.498 2.755 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(F)c(F)c1F)CC2 91643233 BHLWQNDUYANSCY-UHFFFAOYSA-N 368.399 2.898 0 50 FFAA COCCCN1CC2(CCN(c3ncnc4ccsc34)CC2)CC1=O 95360261 XHTCSJGTJBWSMR-UHFFFAOYSA-N 360.483 2.547 0 50 FFAA Cc1cc(N2CCC(N(C)Cc3nc4ccc(F)cc4[nH]3)CC2)ncn1 95360447 MDEPZNHAGZRJQJ-UHFFFAOYSA-N 354.433 2.901 0 50 FFAA CSCCc1nc([C@H]2CNC(=O)C2)n(-c2ccc(F)c(Cl)c2)n1 96150018 WKDAKLLJUYGYPL-SECBINFHSA-N 354.838 2.569 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@@H](O)c1ccccc1C(F)(F)F 91997699 OZHMUTJBCNTRDU-OAHLLOKOSA-N 356.388 2.731 0 50 FFAA O=C(c1cc(F)cc(Cl)c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91907631 ZYFBLLJARJYGSE-HUUCEWRRSA-N 354.853 2.646 0 50 FFAA O=C(NCCn1cc(Cl)cn1)Nc1ccc(OC[C@H]2CCCO2)cc1 96164567 BOAUPHSEBBPZTG-MRXNPFEDSA-N 364.833 2.916 0 50 FFAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccc2c(c1)CCC2 183432810 AZWQRXAQOBRBBC-NRFANRHFSA-N 350.462 2.672 0 50 FFAA CCCC[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 252670322 KEVDIQTWIOVOHF-KZNAEPCWSA-N 374.529 2.719 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cnc(O)c(Cl)c2)C1 253537081 WTMLQLSGFCNKOY-CQSZACIVSA-N 359.857 2.968 0 50 FFAA CCc1nnc(NC(=O)[C@@H](C)N(C)Cc2cc(-c3ccccn3)no2)s1 252499094 RVKYBJUIXLMQNC-LLVKDONJSA-N 372.454 2.610 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1 299782344 FPEIOGWRCPCTOP-HNNXBMFYSA-N 357.479 2.788 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)COc3ccc(F)cc3F)[C@H]2C1 299757260 KPXUBKVTHOHPDJ-QANKJYHBSA-N 355.381 2.529 0 50 FFAA CCOC(=O)c1cc(NC(=O)N(C)[C@@H](C)CC(=O)NC)ccc1Cl 299787946 UHTDKZSELWGWOE-JTQLQIEISA-N 355.822 2.505 0 50 FFAA CC(C)c1ccc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)c(O)n1 822284883 HTWAPIBPYSWYAV-NSHDSACASA-N 353.382 2.847 0 50 FFAA O=C(NCc1ccc2ccccc2n1)C1CCN(C2CCOCC2)CC1 584892404 VVESHHWFUPVUQM-UHFFFAOYSA-N 353.466 2.742 0 50 FFAA CC(F)(F)c1cccc(CNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)n1 1875299894 ZHIKUPRTGMDGKX-HXUWFJFHSA-N 373.403 2.658 0 50 FFAA C[C@@](O)(CNC(=O)CC[C@H]1Cc2ccccc2CN1)c1ccc(F)cc1F 1875294731 VHKVCJILLITFRU-LAUBAEHRSA-N 374.431 2.783 0 50 FFAA O[C@@H]1CC2(CCN(Cc3cnccn3)CC2)Oc2cn(C3CCCC3)nc21 1875393110 GLAFGMZXMWUKGX-QGZVFWFLSA-N 369.469 2.639 0 50 FFAA COC(=O)[C@@H]1C[C@@H](SC)CN1C(=O)c1cc(Cl)nc(Cl)c1C 1875370648 XDOHPXBQCIJAMJ-SCZZXKLOSA-N 363.266 2.816 0 50 FFAA Cn1cccc1C(=O)N[C@]12CCC[C@@H]1N(C(=O)[C@]13CCCC[C@H]1C3)CC2 1875406392 COIJCLKLNDTLPA-OQRYQMPQSA-N 355.482 2.859 0 50 FFAA O=C(N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]21)c1ccc(C2CC2)o1 1875407221 VKZZXUIDLJXOFD-KLHDSHLOSA-N 354.450 2.924 0 50 FFAA O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(C2CC2)[nH]c(=O)c1 185949328 GRLQVZQPOLKYDK-UHFFFAOYSA-N 356.397 2.827 0 50 FFAA Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n[nH]1 280047067 OOSMZOWUHYMCGX-DOMZBBRYSA-N 353.344 2.614 0 50 FFAA Cn1cc(CCNC(=O)Cc2ccc3c(c2)NC(=O)C3)c2ccc(F)cc21 187468696 LOAGNXNNIAHDMM-UHFFFAOYSA-N 365.408 2.713 0 50 FFAA O=S(=O)(c1ccc(CN[C@H]2CCC23CCCC3)cc1)N1CCOCC1 189043983 MCBFUCDZCFIYDG-SFHVURJKSA-N 364.511 2.520 0 50 FFAA Cc1cc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)c2cc(C(F)(F)F)ccc2n1 1704308763 JABQOEVTUBQDGD-SWLSCSKDSA-N 354.328 2.834 0 50 FFAA CC1=CC2(CCN(C(=O)c3cnn(-c4ccccn4)c3C)CC2)OCC1 1704343296 BCRONNZWIMMZJZ-UHFFFAOYSA-N 352.438 2.917 0 50 FFAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)cc(C)c3)CC2)O1 11783193 AKRLCWZMVDASFR-IBGZPJMESA-N 360.498 2.580 0 50 FFAA C[C@@H](NC(=O)C1CC1)c1nnc(SCCOc2ccc(F)cc2)n1C 11908955 KQPAQGWXNCAECP-LLVKDONJSA-N 364.446 2.713 0 50 FFAA COc1ccc(CN2CCC(CCC(=O)NCCN(C)C)CC2)c(F)c1 11948864 FLHLLXZPGRECMJ-UHFFFAOYSA-N 365.493 2.504 0 50 FFAA CN(C)c1ccccc1C(=O)N1CCC(=O)N(Cc2ccc(F)cc2)CC1 12247361 WNVUXKLWEZNAHC-UHFFFAOYSA-N 369.440 2.766 0 50 FFAA Cc1ccccc1CCN1CCC(CN(C[C@H](O)CO)C2CCCC2)CC1 12372787 WHVZUNNICMEZHF-QHCPKHFHSA-N 374.569 2.847 0 50 FFAA O=Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1 12471437 XJGAZMPCOLRKEW-MRXNPFEDSA-N 368.408 2.920 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCN(Cc2cccc(F)c2)CC1 13327121 NBLGDDHLOFZAER-UHFFFAOYSA-N 356.397 2.555 0 50 FFAA Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 15074890 AJYQGWCCSVJXRL-NRFANRHFSA-N 374.431 2.917 0 50 FFAA CN1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC1 19589802 MQWYZCRUBBZBBV-UHFFFAOYSA-N 371.391 2.722 0 50 FFAA COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccccc2)CC1 19594978 KCEYKNZEZHBUFN-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857696811 DPOUUHRABSXAQL-QMMLZNLJSA-N 351.446 2.894 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@@H](c2nccs2)C1 114742036 KWTLOQRIKCRQDS-CYBMUJFWSA-N 350.465 2.646 0 50 FFAA CC[C@H](C)n1nc(C(=O)Nc2cn(C)cc(Br)c2=O)cc1C 329441289 JYRZLARITOELJI-VIFPVBQESA-N 367.247 2.876 0 50 FFAA C[C@H](C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 333964953 PMVGCLDXWGSDKQ-XHDPSFHLSA-N 361.916 2.932 0 50 FFAA O=C(COc1ccccc1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 11997773 IIWSQYAGCRBKBT-SFHVURJKSA-N 366.465 2.621 0 50 FFAA Clc1ccc(-n2cc(CN3CCC[C@@H](N4CCOCC4)C3)cn2)cc1 22891406 AAMKTOHYSFVPDP-LJQANCHMSA-N 360.889 2.822 0 50 FFAA Cc1ccc(C)n1C1CCN(C(=O)NCc2nnc3n2CCCCC3)CC1 263833726 OEJYSIYPRVNELX-UHFFFAOYSA-N 370.501 2.970 0 50 FFAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC2(CC1)CS(=O)(=O)C2 2325767927 QHBBFSOMZDNFOL-IXDOHACOSA-N 371.543 2.501 0 50 FFAA O=C(Nc1ccc(OCc2nc[nH]n2)cc1)c1cc2c(s1)CCCNC2 2325778883 UMJWDLCUKSKVOR-UHFFFAOYSA-N 369.450 2.733 0 50 FFAA CC1(C)C[C@@](C)(C(=O)NCc2cccc(COC3CCOCC3)c2)CN1 2325809270 WTMAOHPKJFJJOU-OAQYLSRUSA-N 360.498 2.777 0 50 FFAA CSc1nc(Cl)c(F)c(=NC2CCN(c3nccs3)CC2)[nH]1 2325825355 NIIQQCLMWUFZNH-UHFFFAOYSA-N 359.883 2.950 0 50 FFAA CN(C[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)C(=O)CC(F)F 2325871276 GCNBFLURALDXDO-ZDUSSCGKSA-N 361.392 2.811 0 50 FFAA Cc1cccc([C@H](NC(=O)c2ccc3c(c2)CN(C)C(=O)N3)C(=O)O)c1 2325877734 ZABWZQDSQZBJIA-INIZCTEOSA-N 353.378 2.528 0 50 FFAA COc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 652423 AETUFAHVYCENEZ-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1OC 1590445 ILGLDRVWVDDPCM-UHFFFAOYSA-N 352.390 2.727 0 50 FFAA biogenic CO[C@H]1CC[C@H](NC(=O)c2c(OCc3ccccc3)c(=O)ccn2C)CC1 2356142005 ZNDROFOGQHBLOZ-QAQDUYKDSA-N 370.449 2.652 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101329119 GNJJSSHAHRDIAE-UOVPBQLFSA-N 352.434 2.557 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1CCCN(C(=O)c3ccccc3)C1)C2 246771783 IERMDBNAWLCHPN-IHPCNDPISA-N 369.509 2.670 0 50 FFAA COc1cccc2c1OCC(CN1CCC(Cc3nncn3C)CC1)=C2 55281086 USKPWGXVDLQFFC-UHFFFAOYSA-N 354.454 2.554 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)CC2=CSC3=NCCCN23)CC1 102298797 CMBHMTWMOCENTH-UHFFFAOYSA-N 370.522 2.679 0 50 FFAA CC[C@H](C(=O)Nc1nnc(C)s1)N1CCN(c2ccc(F)cc2)CC1 20173133 HDPKSXDSJQQOJJ-OAHLLOKOSA-N 363.462 2.525 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)COC4)cnn2c1 67787495 LHODUBLJEMVYPI-UHFFFAOYSA-N 365.437 2.854 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1cc(C(F)(F)F)n[nH]1 20993514 OUCDDIQXQHVOGK-GFCCVEGCSA-N 370.350 2.962 0 50 FFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@@H]1c1cc(C)c(OC)cc1C 67674355 GUGHCNBURSOMJM-FQEVSTJZSA-N 366.469 2.794 0 50 FFAA Cc1cccc(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2CCNC3)n1 67690560 JDFAKVKBVLLJNT-HNNXBMFYSA-N 360.465 2.931 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67514896 UWJYFOCUXVNYCB-AWEZNQCLSA-N 359.253 2.666 0 50 FFAA CCCOC(=O)N1CCC2(CC1)NC(CSc1ccccc1)=NC2=O 63856881 LCXVBFLNKJRAOX-UHFFFAOYSA-N 361.467 2.688 0 50 FFAA CC(C)CCN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO 20995318 LXPXTBOHLZRVSA-FQEVSTJZSA-N 374.504 2.926 0 50 FFAA CS(=O)(=O)CCn1cnc(-c2ccccc2)c1-c1ccc2nonc2c1 65491589 LCLVNBDFNYEJOL-UHFFFAOYSA-N 368.418 2.798 0 50 FFAA CCOc1ccc(Cl)cc1CCNC(=O)[C@H]1CC(c2ccncc2)=NO1 252492684 MSEGFVBSLQHWQF-GOSISDBHSA-N 373.840 2.986 0 50 FFAA COCCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 67712860 BWFZWYIQASNSRZ-KRWDZBQOSA-N 361.486 2.632 0 50 FFAA Nc1nc2c(s1)[C@H](c1cnc(-c3ccc(Cl)cc3)nc1)CC(=O)NC2 65508420 LKVCPLMDCPIFQK-LBPRGKRZSA-N 371.853 2.988 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 2754950 OPPXTGCRVDZMSP-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA COc1ccc(OCC2CCN(CC(C)(C)N3CCOCC3)CC2)cc1 216242681 KJDCLSVBJCXAID-UHFFFAOYSA-N 362.514 2.897 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CCCc1c(C)n[nH]c1C)cn2C 219922757 BLWJTSRKAWHGML-UHFFFAOYSA-N 366.465 2.892 0 50 FFAA COc1ccc(CCCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 72476903 WNYQZUXYHYBYHO-GOSISDBHSA-N 374.525 2.977 0 50 FFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)C1CCS(=O)(=O)CC1 368599083 VOESNSVKTLDFIT-YOEHRIQHSA-N 365.495 2.820 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72163701 GWCXZKKINDJNTE-SFHVURJKSA-N 350.466 2.602 0 50 FFAA CC(C)CC(=O)N[C@@H](C(=O)Nc1ncc(C2CCNCC2)s1)C(C)C 262052393 MUBYJKNGAUFILY-MRXNPFEDSA-N 366.531 2.736 0 50 FFAA O=S1(=O)CCN(Cc2cnc(-c3cccc4ccccc34)nc2)CC1 215665114 FLFNHLVNWZTZMY-UHFFFAOYSA-N 353.447 2.527 0 50 FFAA Cc1ccnn1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72423606 HJHZJINSSORPAJ-UHFFFAOYSA-N 367.371 2.721 0 50 FFAA O=C(Cc1ccc(-n2cccn2)cc1)Nc1c[nH]nc1-c1nccs1 446703780 AAENHRPKWJROEV-UHFFFAOYSA-N 350.407 2.900 0 50 FFAA CCc1cc(NC2CCN(C[C@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72420285 HJZNBPCFVXGVGB-GOSISDBHSA-N 357.502 2.964 0 50 FFAA CCOc1cccnc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 176111768 ANUUDVKJOHYNCQ-OAHLLOKOSA-N 368.437 2.675 0 50 FFAA COCc1nc(C)c(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)s1 220659093 JIYKDBSGYMGNDC-UHFFFAOYSA-N 361.398 2.509 0 50 FFAA Cn1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c(C2CC2)n1 290791188 OATMGOKZIDEHDU-UHFFFAOYSA-N 356.445 2.785 0 50 FFAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 426473330 ALUKKBCKRWKKIH-CYBMUJFWSA-N 356.451 2.957 0 50 FFAA CN1Cc2ccc(CN(C)C(=O)Nc3ccc4c(c3)nnn4C)cc2C1 97468480 XVHYCTMYXNRJNL-UHFFFAOYSA-N 350.426 2.578 0 50 FFAA CNc1nc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)ncc1F 91746399 DIPMVDUVVISTGA-HNNXBMFYSA-N 367.432 2.681 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2ccccc2CN(C)C)cc1OCCN 426535154 MDCSCWQOOVZWIR-UHFFFAOYSA-N 355.482 2.666 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(CCC(F)(F)F)CC2)n1C 91486690 DKQDUDRCXHFKKF-UHFFFAOYSA-N 356.396 2.500 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)o1 91665102 VXYOJNHXMZIQIX-INIZCTEOSA-N 366.421 2.948 0 50 FFAA Cn1nc(CNC2CCN(c3ncccn3)CC2)c2c(Cl)cccc21 95522962 FLKZOAVFUOGOKT-UHFFFAOYSA-N 356.861 2.775 0 50 FFAA CCc1ccccc1N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)C(C)=O 239309143 HFQSYBRTVXCLOS-WDYSCTGBSA-N 364.445 2.613 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccccc1)C2 91304506 MOMLLVINOQGFCW-PKOBYXMFSA-N 364.449 2.528 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCCc1nc(-c2cccnc2)no1 91574429 ANLFSFNNGFPEBJ-UHFFFAOYSA-N 357.439 2.992 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(c2ccncc2F)CC1 91526864 CDUJMJRBINACCN-UHFFFAOYSA-N 369.448 2.769 0 50 FFAA O=C1NCCN(C(=O)c2ccc3cccc(F)c3n2)[C@H]1c1cccc(F)c1 91794283 VWWMLUBJZAFRRO-SFHVURJKSA-N 367.355 2.826 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1 96136056 SLANNBMWFDOKDS-UHFFFAOYSA-N 359.430 2.614 0 50 FFAA CCOCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 91645390 HNQWTSAQTDBPDO-GOSISDBHSA-N 358.482 2.668 0 50 FFAA Cc1ccc(C)c(OCCN(C)Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)c1 244718944 LTVPRSQSVXPSDE-CALCHBBNSA-N 369.513 2.945 0 50 FFAA Cc1n[nH]c(C)c1NC(=O)CN1CCCN(c2ccccc2Cl)CC1 295957547 MMAHQMAPBOEDIG-UHFFFAOYSA-N 361.877 2.831 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CC(n3cccn3)C1)O2 252502593 URIFQQOFBCJQPR-FQEVSTJZSA-N 355.438 2.681 0 50 FFAA COc1cc(F)c(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1F 184910825 AZVVHLBIDRMGDO-NSHDSACASA-N 350.321 2.788 0 50 FFAA CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 102345712 VWCOTKSDEHMCLP-ZNIXKSQXSA-N 363.435 2.949 0 50 FFAA Cc1ccccc1[C@@]1(CC(=O)NCCn2cnnc2)CCOC(C)(C)C1 299785387 ZDHUHBTVCXLGKK-HXUWFJFHSA-N 356.470 2.620 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1cccc(-c2ncccn2)c1 299794320 JIGRPFOGEYLTFT-FQEVSTJZSA-N 373.460 2.933 0 50 FFAA CN(C)c1ncc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccncc2)cn1 828000940 PZVUCRXYXSAOEX-IBDYFIJFSA-N 359.433 2.857 0 50 FFAA CNC(=O)Cc1nc(-c2ccccc2OC)cc(-c2c(C)noc2C)n1 823825606 BFNPEDDTYDIFQV-UHFFFAOYSA-N 352.394 2.713 0 50 FFAA Cc1sc([C@@H](C)N)nc1C(=O)NCc1nc2c(s1)C[C@H](C)CC2 1875287725 XLSBZGKYMRIVFP-RKDXNWHRSA-N 350.513 2.983 0 50 FFAA Cc1nc(C(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)c2ccnc-2[nH]1 1875301043 BAAZLJFECKRQQM-GJZGRUSLSA-N 350.426 2.502 0 50 FFAA COc1cccc(C(C)(C)C(=O)N=[S@@]2(=O)CCC[C@@]3(CCCN3)C2)c1 1875393565 OSLKEQDQLITOLP-UQBPGWFLSA-N 364.511 2.883 0 50 FFAA CN(C)[C@@H](CNC(=O)C[C@H]1CCC2(CCOCC2)CO1)c1cccs1 895463710 BCSVIWAINUXGAU-CVEARBPZSA-N 366.527 2.833 0 50 FFAA CCc1cc2c(CN3CCC[C@@H]3[C@H](O)C(F)(F)F)cc(=O)oc2cc1O 109757956 BDUTXTKXNRRFAI-DYVFJYSZSA-N 371.355 2.949 0 50 FFAA COc1ncnc(C)c1-c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 1565527917 VJFPICTVRGJWNR-MSOLQXFVSA-N 366.465 2.769 0 50 FFAA COc1ccc2sc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)c(C)c2c1 274198928 RDXHUFHKQBKFCB-CYBMUJFWSA-N 367.492 2.868 0 50 FFAA Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 275219053 DBBKNUUCHOYTGZ-LBPRGKRZSA-N 371.764 2.676 0 50 FFAA C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCC1=CCCCCC1)C2=O 170596745 PHYRNXPCLVNCIB-MGPUTAFESA-N 361.486 2.884 0 50 FFAA O=C(c1cc(F)cc2nccnc12)N1CCCN(c2nccs2)CC1 195102071 JUSHBIHGSLLBSL-UHFFFAOYSA-N 357.414 2.578 0 50 FFAA Cn1cnc(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c1 1704300758 ZDLLPMNIGYLGNW-QFIPXVFZSA-N 373.460 2.997 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772819023 NPYMSNBWJRGBEC-UHFFFAOYSA-N 362.451 2.754 0 50 FFAA CCC(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1 11663103 MOFCSSPOHVSFGK-UHFFFAOYSA-N 356.426 2.718 0 50 FFAA Cc1cc(C)n(CC(=O)NCc2cccnc2-n2cnc3ccccc32)n1 15074986 ODZYFBOCUOTRGD-UHFFFAOYSA-N 360.421 2.550 0 50 FFAA Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1C 19771071 GUCSWLXXZGXLDA-NRFANRHFSA-N 354.494 2.861 0 50 FFAA COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccoc5)n4)c3CO2)cc1 169780903 LCFQQCMFUMABOL-OAHLLOKOSA-N 365.349 2.868 0 50 FFAA N=c1cc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cc[nH]1 1857673121 OOUGUIKESZWONJ-RTBURBONSA-N 353.466 2.741 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857700081 LSPWBVKMUPHFOQ-UHFFFAOYSA-N 361.445 2.739 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccncc1F)CC2 1857701942 ZXIWEYIFGXPLQZ-UHFFFAOYSA-N 350.397 2.862 0 50 FFAA O=C1CC2(CCN(c3nc4ccc(Cl)cc4s3)CC2)OCCN1 1857705786 VUEFVJSGWWRBAE-UHFFFAOYSA-N 351.859 2.825 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cccc4c3CCC4=O)C[C@H]21 1857708615 CRCYMCBUGHHRKW-UQFOYQTNSA-N 367.445 2.889 0 50 FFAA CC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccccc3F)[C@H]3CC[C@]2(C1)O3 1857718470 VKJIRQCCNXVQBB-GYQJYAJYSA-N 374.456 2.608 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)CCc2ccncc2)[C@H]1c1ccccc1 1857721803 HADGMIBUCZFPKL-FPOVZHCZSA-N 353.466 2.545 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc3nc[nH]c3c2)[C@H]1c1ccccc1 1857727989 IRYVXGZWSIFSME-PMACEKPBSA-N 364.449 2.707 0 50 FFAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857735877 VEUUQHPYNMRXLQ-OKZBNKHCSA-N 366.465 2.540 0 50 FFAA CN(C(=O)OCc1ccccc1)[C@@H](CCC(=O)OC(C)(C)C)C(=O)O 2560786 XPZXECGLTZKQDX-AWEZNQCLSA-N 351.399 2.830 0 50 FFAA in-vitro Cc1ccccc1CCCN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O 328643762 YWOYJYYABOHOEF-UHFFFAOYSA-N 361.511 2.922 0 50 FFAA Cc1sc(=O)n(CC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1C 131809025 XQYNMKCASSZDRO-HNNXBMFYSA-N 373.522 2.650 0 50 FFAA CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1c2ccccc2CCN1C(=O)c1cc[nH]n1 937118752 LZQCQQVIYQXGQY-SUMDDJOVSA-N 366.465 2.702 0 50 FFAA Cc1cnc2n1CCC[C@@H]2C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1 2325796289 GMUVUDCDKSZTHK-YPMHNXCESA-N 369.391 2.737 0 50 FFAA COc1cccc(Cl)c1C(=O)N1CC[C@H](C2CC(NC(C)=O)C2)C1 2325849245 JJSJOMDWPUKIQE-HSBZDZAISA-N 350.846 2.725 0 50 FFAA O=C(COc1ccc(Cl)cc1)OCCn1cnc2ccccc2c1=O 638611 JGQMGDYYQDLIIC-UHFFFAOYSA-N 358.781 2.672 0 50 FFAA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccco1 799043 DZFOFYRMQQVSJU-LLVKDONJSA-N 360.435 2.991 0 50 FFAA Cc1cccc(CCN2CCC[C@@]23CCCN(Cc2ccccn2)C3=O)n1 2356152231 FCKBMIUQBAIOGZ-JOCHJYFZSA-N 364.493 2.985 0 50 FFAA Cc1noc(C)c1Cc1nnc2n1[C@H](C)C(=O)N(Cc1ccccc1)C2 2356159975 XTAYPOYITKRNGU-CYBMUJFWSA-N 351.410 2.577 0 50 FFAA CC(C)c1cc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)nc(N)n1 67714353 MBQARJWNZSPCDX-UHFFFAOYSA-N 350.426 2.640 0 50 FFAA CCCCC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 67623025 DOKDYRRBQRLSLB-UHFFFAOYSA-N 354.458 2.762 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)Nn3c(C)cc(C)cc3=O)n2)c1 67934273 VYIFJOCENNNCQU-UHFFFAOYSA-N 352.394 2.526 0 50 FFAA Cn1cc(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)ccc1=O 67850482 YEKAYWUAAYHXQI-UHFFFAOYSA-N 371.343 2.781 0 50 FFAA Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 281408911 FDIVTKBLDGRZRG-KRWDZBQOSA-N 356.451 2.884 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N=c2cc[nH]cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 478747906 QRZGKHSKCFFXAJ-WBMJQRKESA-N 364.232 2.968 0 50 FFAA O=C(CCn1cnc2ccccc21)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65424014 OQWHDCPCOQXIMR-FXAWDEMLSA-N 367.424 2.943 0 50 FFAA CC[C@@H](C(=O)N1CCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O 65361867 CWVNPKFXOIDYGY-INIZCTEOSA-N 352.500 2.861 0 50 FFAA COCCCS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 122302763 YTDNWMUEHLWHSK-MSOLQXFVSA-N 374.462 2.634 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CCO2)c1 281765163 JCNDJKNWOYWNQQ-FGTMMUONSA-N 374.872 2.811 0 50 FFAA COc1ccc(C(=O)c2cn(-c3nc(C)cc(C(F)(F)F)n3)nn2)cc1 4089613 GXZVYSGUSPLIMH-UHFFFAOYSA-N 363.299 2.624 0 50 FFAA CC[C@H](C)Sc1ncc(CN2CCN(C3CCOCC3)CC2)cn1 216204545 ZCRCLQJVDHUMGX-HNNXBMFYSA-N 350.532 2.664 0 50 FFAA CCn1ccnc1CN(Cc1nc2c(s1)CCC2)[C@H]1CC12CCNCC2 328627014 FQZUPDPPXBPCJM-KRWDZBQOSA-N 371.554 2.993 0 50 FFAA Cc1ccc([C@@H](O)CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 328632630 LLUYTTLNRZXZGE-SESVDKBCSA-N 356.514 2.777 0 50 FFAA COc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)cc1Cl 125053131 OXZOIKIAWIJBPW-HOCLYGCPSA-N 351.878 2.974 0 50 FFAA Cc1nc(C)n(CCCNc2nc(C3CCCC3)nc3c2cnn3C)n1 72154727 PILIZHYFADESEE-UHFFFAOYSA-N 354.462 2.731 0 50 FFAA Cc1ccc([C@@H](NS(=O)(=O)c2cncc(F)c2)c2ccccn2)cc1 480630419 JTXUVABWCDSGEW-GOSISDBHSA-N 357.410 2.992 0 50 FFAA CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 153338078 WMKNXYCKSQTEGU-GOSISDBHSA-N 370.497 2.933 0 50 FFAA CCCc1nc(NC2CCN(Cc3cccnc3)CC2)c2cnn(C)c2n1 72438394 NHXWCNUFQGQSEI-UHFFFAOYSA-N 365.485 2.787 0 50 FFAA CCOc1ccc(NC(=O)CN2CCn3c(nc(C)c3C)C2)cc1OCC 363382665 YUNWACRALYTAPQ-UHFFFAOYSA-N 372.469 2.752 0 50 FFAA Cc1cc(NC(=O)[C@@H](C)N2CCC(c3ccccc3C(=O)O)CC2)on1 364844216 YLORYVXEYDVNDL-CYBMUJFWSA-N 357.410 2.888 0 50 FFAA CC[C@@H](C)N(CC(=O)O)C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1 237061685 FMMZQOGSPVUYJX-OAGGEKHMSA-N 362.470 2.621 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)Cc2ccc(C)cc2)CC1 77421488 QPWZIKFREQQPSZ-UHFFFAOYSA-N 369.513 2.617 0 50 FFAA Cc1cc(C(=O)N2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)on1 215599011 UPVBEZYCOMAJFW-UHFFFAOYSA-N 367.405 2.848 0 50 FFAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)CC3(C)COC3)cc2c1 72429678 SZFJQFUGEUDXJJ-IBGZPJMESA-N 369.509 2.973 0 50 FFAA OCC[C@@H]1CN(c2noc(-c3ccccc3)n2)CCN1C1CCCCC1 72411153 BIVNEDWDJIHPJZ-GOSISDBHSA-N 356.470 2.942 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCCCN)CCC(=O)N1Cc1ccc(F)cc1 71755009 HFYSMAGHMAIWMY-GOSISDBHSA-N 363.477 2.540 0 50 FFAA c1cncc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)c1 72148517 OPGXSEKOZMTTBU-STZQEDGTSA-N 363.461 2.873 0 50 FFAA COc1ccc2c(c1)CCCCN2C(=O)[C@H]1CC12CCS(=O)(=O)CC2 283795576 AEWOGFHHWHCJMS-MRXNPFEDSA-N 363.479 2.579 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccc(N(C)C)nc2)C[C@H]1c1ccc(C)cc1 77503739 IMPXKDXQHBWGTL-VQTJNVASSA-N 352.482 2.560 0 50 FFAA O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCCC2)nn1 173842435 HNJQLJIHFSFMEQ-UHFFFAOYSA-N 370.428 2.652 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(C2CC2)no1 285215816 DXPFYLRPRWZRFK-OAHLLOKOSA-N 369.425 2.818 0 50 FFAA Cc1cc(CO)oc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 286507636 UPTGJKXDSJELMT-SNVBAGLBSA-N 357.332 2.842 0 50 FFAA CCOc1cccnc1C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 176418289 HAYBHESWGMMGBG-HNNXBMFYSA-N 355.438 2.888 0 50 FFAA Cn1cc([C@H](NC(=O)c2ccccc2C(F)(F)F)C2CC(O)C2)cn1 222640436 ZZDVLCDILKJVIR-MBRGGSNBSA-N 353.344 2.681 0 50 FFAA Cc1csc(SCC(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)n1 222738089 YBATZYLMHMEZLF-JTQLQIEISA-N 361.452 2.866 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@@H](O)C3CC3)cc2C1 220246148 UNAJKJRUSXEQKX-NRFANRHFSA-N 364.449 2.783 0 50 FFAA Cn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607638 XKVYFGDGNAKNGE-UHFFFAOYSA-N 353.348 2.640 0 50 FFAA CC(C)N1C[C@@H](CNC(=O)N2CCC3(CCc4ccccc43)CC2)CC1=O 426551751 DRSYPBGLHIGPAX-QGZVFWFLSA-N 369.509 2.933 0 50 FFAA Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95389161 IRSVIKGEUYZSRX-VQTJNVASSA-N 352.482 2.705 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(N3CCCC3=O)cc1)CC2 96164744 XZLFZUVCWOUNIL-GOSISDBHSA-N 372.465 2.614 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H](C)c1nnc(C(C)C)o1 426615219 WKZTYYXJJUCQBQ-LBPRGKRZSA-N 352.398 2.844 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccc2O)n[nH]1 97681856 WRGLFYGDJVQVDU-HNNXBMFYSA-N 351.406 2.770 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)[nH]n1 91951137 LOYJMVLZLFQYAI-AWEZNQCLSA-N 366.425 2.827 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccnc(CC)c1)CC2 95512511 DPCFVWJCPFTJJH-UHFFFAOYSA-N 367.497 2.767 0 50 FFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)S(=O)(=O)C1CC1 95512349 WPQFIZFSPRIDRV-OAHLLOKOSA-N 354.491 2.504 0 50 FFAA C[C@@]12CC3CC(C(=O)N4CCN(C(=O)[C@H]5CCCO5)CC4)(C1)C[C@](C)(C3)C2 239426010 VPGZKBYODKYUMV-UUHUHHESSA-N 374.525 2.833 0 50 FFAA Cc1nc(-c2ncc(C(=O)N(C)C3CCSCC3)c(O)n2)cs1 96165982 GOMAIWOISHMBDG-UHFFFAOYSA-N 350.469 2.582 0 50 FFAA CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 267649055 INLXAVYIHFIYIY-SWLSCSKDSA-N 364.492 2.674 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)C1 96133296 VDQRXJOUMNRLIM-SFHVURJKSA-N 358.461 2.879 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1Cc1ccc(F)c(F)c1 91737964 BKGVWGUVPODSSM-UHFFFAOYSA-N 373.403 2.948 0 50 FFAA CCN1C[C@@H](C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)CC1=O 91848915 LZPGAQNGWQQBBS-SFHVURJKSA-N 351.450 2.787 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cccc(N2CCNC2=O)c1 244866680 WANXJVRVWMSJSR-LXZKKBNFSA-N 371.462 2.520 0 50 FFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCCN(C(=O)c2ccccc2)CC1 184129519 RRBLNBQRNMCWHR-UHFFFAOYSA-N 368.481 2.935 0 50 FFAA COc1ccc(CN2CC[C@@](O)(c3ccccc3C)C2)cc1OCC(=O)O 534675286 CAKDAFKRYNOQGJ-NRFANRHFSA-N 371.433 2.561 0 50 FFAA COC(=O)c1cn([C@@H](c2ccc(OC)cc2)C(C)C)cc2c(=O)[nH]nc1-2 263587337 FUILVFXMTGZYFV-QGZVFWFLSA-N 355.394 2.717 0 50 FFAA COC(=O)c1c(NC(=O)CCc2ccccc2)c2cc(N)cnc2n1C 299777962 LNBZIWOFEKMEFM-UHFFFAOYSA-N 352.394 2.513 0 50 FFAA Cc1cc(CN2CCOC3(CCN(C(=O)C[C@@H]4C=CCC4)CC3)C2)on1 827921344 OREOHCSVZQDIAI-QGZVFWFLSA-N 359.470 2.533 0 50 FFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1nc2c(s1)CCC2 1875265847 GOJJCVKNQPGNDI-WFASDCNBSA-N 373.478 2.776 0 50 FFAA C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)[C@@H]2C(=O)NC[C@@H]21 1875319834 UWOXCFRUXZXAGU-BCQZVRRWSA-N 367.371 2.574 0 50 FFAA CCOC(=O)c1cc(Br)c(N)c(I)c1 71617698 AOHVATDJDHOIRV-UHFFFAOYSA-N 369.984 2.813 0 50 FFAA in-vitro CC(C)NC(=O)c1ccc(NC(=O)c2cc(-c3cccn3C)[nH]n2)cc1 952975758 KDTZIPRBLJRZBA-UHFFFAOYSA-N 351.410 2.806 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3csc(C(C)C)n3)C2)ccn1 886059732 YYMVBOXNNVVOSD-GOSISDBHSA-N 374.510 2.951 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1C[C@H]2COCC[C@@]2(C(=O)O)C1 1599333930 DMQXAEUWLGTNIH-MEDUHNTESA-N 360.237 2.925 0 50 FFAA c1ccc(N2CCC(N[C@H]3COCC[C@@H]3Oc3ccccn3)CC2)cc1 1565511574 MUXSSVNKUDAZDL-PMACEKPBSA-N 353.466 2.877 0 50 FFAA COc1ccc(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1F 170602397 WGNQSPBIWNMGBX-UHFFFAOYSA-N 358.348 2.543 0 50 FFAA CCOc1c(Cl)cccc1CC(=O)N[C@@](C)(C(N)=O)c1ccccc1 190809388 YNPAKVHDKBEQCG-LJQANCHMSA-N 360.841 2.798 0 50 FFAA COC[C@H](Cc1ccccc1)N(C)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 191653339 KDKMNTUZTMCFTN-HNNXBMFYSA-N 369.469 2.569 0 50 FFAA Cc1cc2ncn(C[C@H](O)CN3CCC(c4ccn[nH]4)CC3)c2cc1C 195507189 WYUWLPXGYYRKEZ-QGZVFWFLSA-N 353.470 2.617 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1csc(-c2ncccn2)n1 1506403113 RHVZHADOBSUUDB-UHFFFAOYSA-N 368.447 2.877 0 50 FFAA COc1cccc([C@@H]2CCN(CC(=O)NCc3ccccc3)C2)c1OC 1529107086 WEDOXAPNVHXYMQ-QGZVFWFLSA-N 354.450 2.810 0 50 FFAA CO[C@@H]1C[C@H](C(=O)N(C)CCOc2ccc(Cl)cc2C)CC[C@@H]1O 1704313609 JJSGERITUBEDHE-UKPHBRMFSA-N 355.862 2.662 0 50 FFAA CC(C)n1cc(C(=O)N2CCCN(C(=O)c3cccn3C3CC3)CC2)cn1 1772708044 CHRACUARUIJKNF-UHFFFAOYSA-N 369.469 2.589 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C 11878560 IYAUYRJGEBQLDZ-INIZCTEOSA-N 355.438 2.936 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)N(C)Cc2cc(C)[nH]n2)no1 11935610 CVNMEOUPJANQBR-UHFFFAOYSA-N 370.409 2.874 0 50 FFAA Cn1cc(CN(CCO)CCO)c(-c2ccc(Oc3ccccc3)cc2)n1 12387654 LXAQHTZIONJJBT-UHFFFAOYSA-N 367.449 2.666 0 50 FFAA c1ccc(-c2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)nc1 12435374 KWWNYTKJSNINNM-MRXNPFEDSA-N 351.410 2.708 0 50 FFAA COc1ccccc1NC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12572215 PZRNIXYQUJAGMD-OAHLLOKOSA-N 357.385 2.757 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc1 19228090 CMEGSVQHAPHCKI-UHFFFAOYSA-N 362.433 2.808 0 50 FFAA Cc1c(Cl)cccc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 169772631 CZMCPJJZEPJDNV-OAHLLOKOSA-N 357.797 2.728 0 50 FFAA CC(C)=CCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)c3ccns3)C2)C1 1857693785 MKXMADZLGWOENU-IEBWSBKVSA-N 363.527 2.788 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328619152 FOWHCXLNMQVSOA-HNNXBMFYSA-N 369.469 2.651 0 50 FFAA O=C(Nc1nc2c(Cl)cccc2n1CC(F)(F)F)[C@H]1COCCO1 332166695 BBYBGKPNSWRBGV-SNVBAGLBSA-N 363.723 2.606 0 50 FFAA CC(=O)Nc1cc(C(=O)N[C@H]2CC[C@@H](CO)CC2)cc(C(F)(F)F)c1 131015040 DMMFJTFZSIFGSD-YEORSEQZSA-N 358.360 2.945 0 50 FFAA Cc1nnnn1-c1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)c(F)c1 826563661 ANDJRSSPWJYXNJ-VIFPVBQESA-N 355.160 2.821 0 50 FFAA O=C(N[C@@H](C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1 820548 FXQHZKQXHQFHHE-QGZVFWFLSA-N 365.414 2.717 0 50 FFAA CCCn1nc(C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2100534270 AFHBNUQIKLURNK-MOPGFXCFSA-N 370.453 2.809 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)Cc1ccc(C(N)=O)cc1 2325744186 RQCYXPAORZLGIC-UHFFFAOYSA-N 363.417 2.650 0 50 FFAA COCCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 2325794916 WUIOZNZABVNHCT-KBAYOESNSA-N 364.530 2.935 0 50 FFAA Cc1cc(CN2CC(NS(=O)(=O)c3ccccc3)C2)cc2cccnc12 2325856459 QIGBCXDABCYNMJ-UHFFFAOYSA-N 367.474 2.706 0 50 FFAA CC(C)C[C@H](N)CNC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2 2325874391 LAJXBDIUKDKXTL-HNNXBMFYSA-N 358.461 2.993 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)CSc1nnc(C)n1-c1ccccc1 645882 XQWPKFSEGQKERE-UHFFFAOYSA-N 356.455 2.657 0 50 FFAA Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1 877104 VQYQFTVFRKMJDM-UHFFFAOYSA-N 358.463 2.777 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356139602 UITFPIOVMPQBAY-QFIPXVFZSA-N 365.477 2.865 0 50 FFAA Cc1ccc2cc(CN(C)[C@H]3C[C@H]4CC(=O)N(C)C[C@H]4C3)c(O)nc2c1 2356149951 ZGIQYNHKSIIMLN-JZXOWHBKSA-N 353.466 2.938 0 50 FFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@@H](Cn2cccn2)C1 111084758 GTBXGZSOZKAGTD-LJQANCHMSA-N 364.405 2.612 0 50 FFAA CCc1cc(N2CCC[C@@H](NC(=O)c3cccc4c3CCC4)C2)ncn1 112498423 HUQXWTHWNQBMFK-QGZVFWFLSA-N 350.466 2.927 0 50 FFAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1Cl 55053963 RVNIUKTZBDFURL-UHFFFAOYSA-N 366.252 2.544 0 50 FFAA CN(C(=O)NC1CCN(C(=O)c2ccco2)CC1)C1Cc2ccccc2C1 56595375 YVFPVDNLXNZRPG-UHFFFAOYSA-N 367.449 2.693 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 248235528 SLFMBCMBAPRCPP-PSWRPDDJSA-N 373.456 2.670 0 50 FFAA C[C@H]1CN(CCOCCOc2cccc(Br)c2)C[C@H](C)O1 20167143 FLXJVWILFSFRFZ-KBPBESRZSA-N 358.276 2.954 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3nccs3)cnn2c1 67689360 SQTKTVXYOYQGGK-CYBMUJFWSA-N 372.498 2.861 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CN1CCc2ncccc2C1 67788024 QEUOCQGLBNRCCN-JOCHJYFZSA-N 371.525 2.764 0 50 FFAA NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCc2occc21 119600639 BQDGBFHTPDUKJT-IAGOWNOFSA-N 366.421 2.534 0 50 FFAA O=S(=O)(c1ccc(Cl)s1)N1CCN(CCc2ccccc2)CC1 35800814 SCDMTYJIMJTXSR-UHFFFAOYSA-N 370.927 2.951 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCC(c2nnc3n2CCCCC3)CC1 65434292 DJOBRAGMAAIJAT-UHFFFAOYSA-N 370.482 2.734 0 50 FFAA Cc1noc([C@@H]2CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)n1 172288029 UACJUQYDQZDUTO-RHSMWYFYSA-N 358.417 2.892 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 860287902 RGEDAFPBYFEMIS-SNVBAGLBSA-N 361.389 2.512 0 50 FFAA Cc1nc(CN(C)C(=O)c2cc(Cn3cnc4ccccc43)[nH]n2)cs1 11820295 VSDRJSJCZCKUTD-UHFFFAOYSA-N 366.450 2.845 0 50 FFAA CCc1ccc(CCNc2nc(N(C)C)nc3c2CCN(C(C)=O)C3)cc1 71746458 LUJRBBYTHZVMCF-UHFFFAOYSA-N 367.497 2.664 0 50 FFAA O=C(CC1CCCC1)N1C[C@@H]2CN(Cc3ccccc3F)C[C@]2(C(=O)O)C1 215787715 HZHGOZPFSUVGDO-UWJYYQICSA-N 374.456 2.751 0 50 FFAA C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1 329620079 MNDVDGRPVZRGLH-ZDUSSCGKSA-N 357.483 3.326 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)CCc2ccsc2)CC1 33202780 KZBIRMCTXRSSAZ-UHFFFAOYSA-N 358.463 2.674 0 50 FFAA COc1cccc(CCc2ccccc2C(=O)NC[C@H]2COCCO2)c1 218814268 ISBYGSPVZILPFC-IBGZPJMESA-N 355.434 2.626 0 50 FFAA Cc1csc(N2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)n1 237643043 HTINVELMNYVQBG-UHFFFAOYSA-N 359.451 2.683 0 50 FFAA Cc1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C2CC2)n1 374179208 REKLTZMMFGEZCL-UHFFFAOYSA-N 372.450 2.738 0 50 FFAA COc1ccc(CN2CCC([C@H](C)N3CCOCC3)CC2)c(F)c1F 72422920 LFELNSSZURZOKL-AWEZNQCLSA-N 354.441 2.906 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 77422643 ZWPUQJBJPZLKMB-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA CCCn1nccc1C(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77385759 NXLHEIBSBAUTJT-FQEVSTJZSA-N 358.486 2.548 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@@H](C)c2c(C)nn(C)c2C)CC1 329958868 QFFSDJUBWSPCDV-AWEZNQCLSA-N 356.470 2.914 0 50 FFAA O=C(CCc1cccs1)N[C@@H]1COCC[C@@H]1OCc1cscn1 220356176 PEGVYLVKVUFZQC-CABCVRRESA-N 352.481 2.628 0 50 FFAA CN(C[C@H]1CC(=O)N(C)C1)C(=O)Cc1ccccc1OCc1ccccc1 221301795 KZIFOQDIRHUGPC-SFHVURJKSA-N 366.461 2.745 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1O)c1ccccc1 426642879 KFBLMPRJUSLTCP-QZTJIDSGSA-N 362.832 2.844 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 223907226 HBOQCDQEMIUCFC-CYBMUJFWSA-N 372.808 2.533 0 50 FFAA Cc1cccc(-c2ccc(CN3CCn4nc([C@@H](O)CO)cc4C3)cc2)c1 221378682 VIPANIOBSYLJHF-QFIPXVFZSA-N 363.461 2.900 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)NCc1csc(N2CCOCC2)n1 222986404 JHZGLZQBFYLXOO-UHFFFAOYSA-N 370.478 2.628 0 50 FFAA O=C(CCc1ccc2ccccc2n1)NCC(=O)N1CCc2ccccc2C1 291402895 BKNWUDXPZXYRFI-UHFFFAOYSA-N 373.456 2.869 0 50 FFAA Cc1nc(CCNC(=O)N2CCO[C@@H](c3ccccc3)C2)nc2c1CCC2 426434098 MFXBNKQQKAMJKJ-LJQANCHMSA-N 366.465 2.599 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82108149 JADWNHQGYMFUAA-KRWDZBQOSA-N 361.449 2.809 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 91656126 MXMCGFXGBPUFIT-UHFFFAOYSA-N 358.486 2.794 0 50 FFAA CSc1ccc(C(=O)N2C[C@H]3CN(CC4CCC4)C[C@@]3(C(=O)O)C2)cc1 96138080 KPPCXBDELFNVOY-OXQOHEQNSA-N 374.506 2.667 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)Cn1c(=O)ccc2ccccc21 95498030 KQEILLWWJUGTAA-UHFFFAOYSA-N 366.421 2.701 0 50 FFAA COc1ccc(-c2ccc(CN3C[C@@H](CO)C[C@H](CN(C)C)C3)o2)cc1 91548218 RCXHQVIAKJBZMQ-SJORKVTESA-N 358.482 2.947 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2cnc(-c3cccs3)nc2O)CC1 91943135 KCPQYFJNXHIGOG-UHFFFAOYSA-N 369.450 2.626 0 50 FFAA CCOc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1 91547028 VLWDNGYJLDKLMX-DOTOQJQBSA-N 357.454 2.950 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)C[C@H]2N(C)C)cc1 95366314 OFNGZROYOMNRTE-VQTJNVASSA-N 353.466 2.579 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2[nH]1 334161684 GYLIYJZCCJLNOI-QGZVFWFLSA-N 361.409 2.666 0 50 FFAA CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)c1cncc(F)c1)CC2 95530213 GBKGQEUBHFIJCR-UHFFFAOYSA-N 371.460 2.589 0 50 FFAA Cc1cc(CNC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)ccc1F 426420509 YNBMXOIKRSXTCL-KRWDZBQOSA-N 370.428 2.520 0 50 FFAA O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)N[C@@H]1CCOC1 95517720 GQTFQIYKWMRQEZ-GOSISDBHSA-N 353.422 2.570 0 50 FFAA CC(C)c1ccccc1-c1ccc(C(=O)N2CCNC(=O)[C@@H]2CCO)cc1 426510100 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CN1CCC(Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2)CC1 952984887 YHASWXSZFVGUNV-UHFFFAOYSA-N 367.449 2.528 0 50 FFAA CN1CCN(C(=O)c2ccccc2N2CCOCC2)[C@H](c2ccccc2)C1 952971053 BZEIOOJGBSRQLD-NRFANRHFSA-N 365.477 2.652 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N[C@H]3CCC[C@H](OC(F)F)C3)cc2=O)cc1 888092750 ZIKCQLJSMSFYDV-JSGCOSHPSA-N 365.380 2.754 0 50 FFAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Cl)c1)C2 888095502 ZVTAUTSBKNTSEE-YFHUEUNASA-N 354.853 2.689 0 50 FFAA Cc1ncc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccc(C)o3)C2)[nH]1 1565527474 AQWDAQXNWQFVEI-APWZRJJASA-N 356.470 2.675 0 50 FFAA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)CCCc2ccc(Cl)cc2)C1 1565529719 HDNCZMCDEYGCGP-IRXDYDNUSA-N 352.906 2.681 0 50 FFAA Cc1cnccc1CNC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 186661936 CJEOKNRPHFUMSB-UHFFFAOYSA-N 371.485 2.706 0 50 FFAA O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC2(C1)OCCO2 170636388 LVJVZTYTPURKJX-UHFFFAOYSA-N 359.357 2.994 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)c2nc(CC(C)C)no2)cc1Cl 1506404653 ZQPJIGCMFVIAGM-SNVBAGLBSA-N 373.862 2.970 0 50 FFAA CO[C@@H](C)c1nnc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)s1 1506418365 SDZHUYFZTGSNAS-QMMMGPOBSA-N 369.830 2.851 0 50 FFAA CC(C)C[C@@H]1CN(C(=O)COc2ncnc3ccccc23)CC[C@]1(C)O 213347446 WGNMIJBAUPBDRY-QRWLVFNGSA-N 357.454 2.654 0 50 FFAA CN(CC(=O)N1CCC2(CC1)OCCc1sccc12)Cc1ccncc1 1704339986 ARBZVGNDERFXOR-UHFFFAOYSA-N 371.506 2.666 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)c(F)n2c1 1775979888 PBQXRLZKJPZJLW-IBGZPJMESA-N 353.401 2.625 0 50 FFAA Cc1oc2c(c1C(=O)N1CCC[C@@]3(CCc4c[nH]nc43)C1)C(=O)CCC2 1775980963 MGKWWONAIWNLFX-HXUWFJFHSA-N 353.422 2.950 0 50 FFAA CCOC(=O)C1=NN[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 5101536 KZBULHORPYLMSU-DLBZAZTESA-N 352.390 2.553 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](c2[nH]ncc2C)C1 12124677 WXOZSDQTTULMLN-LBPRGKRZSA-N 369.874 2.948 0 50 FFAA COCCn1c(CN2CCCCCC2)cnc1S(=O)(=O)CC(C)(C)C 12445263 JHRLACFCKDJIHR-UHFFFAOYSA-N 371.547 2.725 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)c3sccc3C)CC2=O)cc1 12473477 ROIDFRIJOMGSOP-OAHLLOKOSA-N 358.463 2.639 0 50 FFAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)C(C)C)CC1=O 14748708 JLASXFYWBKARNW-GOSISDBHSA-N 364.461 2.694 0 50 FFAA CCc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 15006844 FGIQLZWTZXPTRQ-IBGZPJMESA-N 367.497 2.914 0 50 FFAA CN(C)C(=O)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 169759599 YIVLDDKEVONPRE-AWEZNQCLSA-N 350.216 2.619 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1 4744693 JAKDCWIFLWOEEQ-UHFFFAOYSA-N 360.479 2.905 0 50 FFAA c1cc(N2CCC(N3CC[C@H](n4ccnc4)C3)CC2)cc(-n2cccn2)c1 200507383 VZMVQBARLYDVCZ-NRFANRHFSA-N 362.481 2.985 0 50 FFAA COc1ccc(NC(C)=O)c(NC(=O)CSc2nnc(C)s2)c1 4520743 OYCNYJBVCCTJDU-UHFFFAOYSA-N 352.441 2.544 0 50 FFAA C[C@@]1(NC(=O)c2nc3cccnc3s2)CCN(c2ncncc2Cl)C1 1857531004 RFJCWJVAGCKZTO-MRXNPFEDSA-N 374.857 2.534 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)CCN1c1ccc(F)cn1 1857673421 SDVOPIVMDZZKPQ-CQSZACIVSA-N 355.413 2.897 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)O1 1857700320 STRUYUZJXOZNRR-UKRRQHHQSA-N 368.424 2.921 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cnccc3C)[C@H]3CC[C@]2(C1)O3 1857736187 ZEWXBAOJGKKSBI-GPQLQYNLSA-N 369.509 2.956 0 50 FFAA Cc1sc(=O)n(CC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1C 117825799 VQEBNPXPIKHCEJ-QGZVFWFLSA-N 359.495 2.956 0 50 FFAA COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(N(C)C)nc2)cc1 470237348 PCOPDCDVFICOFZ-QGZVFWFLSA-N 361.467 2.682 0 50 FFAA CN1c2cc(Br)ccc2N(Cc2nncn2C)CC1(C)C 253430351 KQNDTAAGFUXQBN-UHFFFAOYSA-N 350.264 2.813 0 50 FFAA O=C(CCCc1nc(O)c2ccccc2n1)N1CCC[C@H]2CNCCC[C@H]21 366836000 CSQABMZFMIEDNC-MAUKXSAKSA-N 368.481 2.649 0 50 FFAA CNC[C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 159018756 XTYGLCMYRGWTNV-HNNXBMFYSA-N 350.890 2.846 0 50 FFAA CCC1(CNC(=O)c2cccn(C)c2=O)CCN(Cc2ccccc2)CC1 378259571 JSLHDUFJTMHYIL-UHFFFAOYSA-N 367.493 2.808 0 50 FFAA OC1CCN(CCNc2nc(-c3ccccn3)nc3sccc23)CC1 858563679 UGHJNLMVZZDBJS-UHFFFAOYSA-N 355.467 2.622 0 50 FFAA O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](CCO)CC1 331645932 JLNNKCZTVTYXRB-JTQLQIEISA-N 368.318 2.684 0 50 FFAA CCOc1cc(-c2nc(-c3nonc3N)no2)cc(OCC)c1OCC 4784086 REOSUHVPWUPEDT-UHFFFAOYSA-N 361.358 2.565 0 50 FFAA COC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3OC)c2C)cc1 11690133 GOQBJBVLWIBDDQ-UHFFFAOYSA-N 366.377 2.623 0 50 FFAA C[C@@H](CCNC(=O)CC1CCC1)NC(=O)Cc1ccc2cccnc2c1 2325868835 MVUJWNMJBNDGRX-HNNXBMFYSA-N 353.466 2.979 0 50 FFAA COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)c1OC 4703563 AWWJFSBMVMRPHK-UHFFFAOYSA-N 372.421 2.851 0 50 FFAA COc1cc2c(cc1OC)CN(C[C@H](O)COc1ccc(C)cc1)CC2 7636303 PDTXTAZQOXYTOE-SFHVURJKSA-N 357.450 2.810 0 50 FFAA CC(C)C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 25905079 SKTWZICGODYBFB-SJORKVTESA-N 352.500 2.562 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2cccc(OC)c2)C1 248186420 HSVXYGMUNZKETE-HKUYNNGSSA-N 374.481 2.634 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H]2CCCC[C@@H]12 248436570 SCWPZFQLIAEANU-BPQIPLTHSA-N 360.502 2.742 0 50 FFAA CC[C@@H]1CN(CCn2cc(CNCc3ccccc3C)c(C)n2)CCO1 65526543 VQVGATPHNREZTF-OAQYLSRUSA-N 356.514 2.901 0 50 FFAA CCc1nc(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cs1 112283471 OMQDMVKIIKNPBS-JKSUJKDBSA-N 363.527 2.793 0 50 FFAA CCn1nc(C)c(NC(=O)CNCc2ccc(OC)c(F)c2F)c1C 65410118 WMRBXWODJVXEKI-UHFFFAOYSA-N 352.385 2.535 0 50 FFAA Cc1nc(C)c(S(=O)(=O)NC(=O)[C@H](C)OC2CCCCCC2)s1 121743255 WACZVCHKSAOMFN-NSHDSACASA-N 360.501 2.693 0 50 FFAA O=C(Nc1sccc1C(=O)N1CC(CO)C1)c1ccc2c(c1)CCC2 122292359 YBAYXBNHIFZGDK-UHFFFAOYSA-N 356.447 2.553 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)c1ccccc1-n1cccn1)[C@H]2C 440153322 BTGPNZVMKBUWGG-AWEZNQCLSA-N 350.426 2.804 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccoc1 12454290 ZJOWNONUFBLABS-ZDUSSCGKSA-N 352.312 2.829 0 50 FFAA C[C@H](NC(=O)N1CC[C@@H](C)[S@@](=O)CC1)c1nc(C2CCCCC2)no1 253424771 KJXQIAUAUDSTGW-OCDDVZBJSA-N 368.503 2.731 0 50 FFAA O=S1(=O)C[C@@H]2[C@H](C1)N(Cc1ccc3ccccc3c1)CCN2CC1CC1 72477436 GXBOCFFRZWWREK-RTWAWAEBSA-N 370.518 2.533 0 50 FFAA CC(C)c1nc(CN(C)C(=O)c2ccc3c(c2)ncn3CCO)cs1 77422553 CRIWCBMHDKGCJR-UHFFFAOYSA-N 358.467 2.881 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)Cc2noc3ccccc23)C1 363996806 FZGUEEQDJTVFII-CQSZACIVSA-N 355.394 2.793 0 50 FFAA O=S(=O)(c1cnn2c1OCCC2)N1CCCC2(CCCCC2)CC1 333215348 VKKOSWMEWKNYEZ-UHFFFAOYSA-N 353.488 2.791 0 50 FFAA CCN1CC2(CCN(C(=O)c3ccc(Cn4cccc4)cc3)CC2)OC1=O 77488854 AAGKAUQGHOCKGD-UHFFFAOYSA-N 367.449 2.983 0 50 FFAA CCN1CC2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)OC1=O 77299376 NVXOTMLIVLHADU-UHFFFAOYSA-N 354.410 2.524 0 50 FFAA CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)nn1 48267890 VZYOSOFMASGDRX-HNNXBMFYSA-N 370.501 2.631 0 50 FFAA Cc1ccc(F)c(-n2nc(C(=O)N[C@H](C(=O)O)C(C)C)c3c2CCC3)c1 263225182 PWESJUWPLINCEO-INIZCTEOSA-N 359.401 2.648 0 50 FFAA COc1ccc(OC(F)F)c(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)O)C2)c1 263347569 OZVPOYTZARLIKS-ZYHUDNBSSA-N 372.368 2.549 0 50 FFAA COc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)ccc1OCC(N)=O 176543088 BSFJZXSMEVPPEB-YOEHRIQHSA-N 368.433 2.578 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)CN1CCCO 82108491 MZTNHNFIEGPZGH-QGZVFWFLSA-N 370.902 2.629 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)c(OC)c1 426412346 GBKYBNSNPRGBCH-MRXNPFEDSA-N 368.433 2.708 0 50 FFAA O[C@H]1C[C@H]([C@@H](Cc2ccccn2)NC2CCN(Cc3ccco3)CC2)C1 222337471 TZJFRWFOGORGAI-LKUPVBHCSA-N 355.482 2.611 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCc1cc(Cl)no1)C2 91304989 AIVIWVHRLCWDAE-UONOGXRCSA-N 365.861 2.676 0 50 FFAA CCOCCn1nc(C)cc1C(=O)NC[C@H]1CCOc2ccccc2C1 95366308 SKXFORQWUSDWTC-INIZCTEOSA-N 357.454 2.599 0 50 FFAA Cc1n[nH]c(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)n1 95372455 INBFLNAWWBTSRH-UHFFFAOYSA-N 364.384 2.539 0 50 FFAA O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 178911068 FPOQBWNGOXSPBD-ZIAGYGMSSA-N 370.540 2.568 0 50 FFAA CCCn1cnnc1CN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91574224 QXZAZHDHWXPBPM-FQEVSTJZSA-N 370.453 2.788 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1)N1CCN(C)CC1 95392287 VMKNYCBDVZAUPL-QGZVFWFLSA-N 360.546 2.731 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)C2 91745678 PUTCORLFSAXHTK-UHFFFAOYSA-N 363.421 2.927 0 50 FFAA COc1ncc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cn1 92045626 YVGFQBKMPZADLB-ZDUSSCGKSA-N 351.410 2.779 0 50 FFAA CCc1c(C)nn(CC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)c1C 91270416 LMGIAKYAOMKDLC-LJQANCHMSA-N 355.482 2.646 0 50 FFAA COc1cccn(CC(=O)N(Cc2ccccc2)Cc2nccs2)c1=O 95530874 QPQZXZVGFPLVBQ-UHFFFAOYSA-N 369.446 2.542 0 50 FFAA CC(C)c1cc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)on1 95522596 KQLABNXUXIMKAF-QGZVFWFLSA-N 357.410 2.950 0 50 FFAA Cc1c(C(=O)N(C)CC2(CO)CCOCC2)[nH]c2ccc(Cl)cc12 244724115 MNWQFYOUPXGPOX-UHFFFAOYSA-N 350.846 2.991 0 50 FFAA Cc1ccc(C)n1CC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 252497282 QCXDUJJAHVQXDH-UHFFFAOYSA-N 361.467 2.674 0 50 FFAA Cc1ncsc1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252550013 RZIYKIRCBIEVQZ-GQIGUUNPSA-N 372.490 2.947 0 50 FFAA COc1cccc(N2CCC[C@@H](NC(=O)Nc3nc4ccccn4n3)C2)c1 184323587 GKQQHVGMPCNCPU-CQSZACIVSA-N 366.425 2.528 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCc3ccc4c(c3)CC(C)(C)O4)C2)n1 534660309 SCYSAFQALWGQHL-UHFFFAOYSA-N 354.454 2.980 0 50 FFAA COc1ccc(C(=O)N2CCCN(C(=O)c3ccoc3)CC2)cc1Cl 368640932 FYGLLDDUHUSXDA-UHFFFAOYSA-N 362.813 2.930 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N1CCO[C@H](c2ccc(F)cc2)C1 614031172 SBAAUWPUUZQLAA-FQEVSTJZSA-N 370.424 2.620 0 50 FFAA O=C(COc1ccccc1)N1CCCN(CC[C@H](O)c2ccccc2)CC1 377582902 FVUKZGSBZZSVIS-NRFANRHFSA-N 368.477 2.723 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N[C@@H]1CCNC[C@H]1O 299760114 HGZZQXMTDNVKOG-IEBWSBKVSA-N 369.465 2.543 0 50 FFAA CC(C)c1ccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(O)n1 822284882 HTWAPIBPYSWYAV-LLVKDONJSA-N 353.382 2.847 0 50 FFAA CCCn1ncnc1-c1cccc(C(=O)NCc2nc(CSC)no2)c1 823036183 NBRDDKIOEGOMMT-UHFFFAOYSA-N 372.454 2.531 0 50 FFAA Cc1sc2nc(CCNC(=O)c3onc4c3CCCC4)nc(O)c2c1C 828231196 GSQAJJYJKFNGST-UHFFFAOYSA-N 372.450 2.853 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1ccc(Cn2cccn2)o1 828164150 MWDITXYNJKTYOG-HNNXBMFYSA-N 370.478 2.980 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CN(C)Cc1ccncc1 823715007 GOFIQEWPHNCPEE-UHFFFAOYSA-N 366.465 2.697 0 50 FFAA C[C@@H]1C(=O)NCCN1C(=O)NCc1cccc(Oc2cccc(F)c2)c1 1875348110 XRPFECWCRSOWNI-CYBMUJFWSA-N 357.385 2.648 0 50 FFAA Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(CN)on2)cc1 1875340431 ATEPINSIZNVRLF-UHFFFAOYSA-N 364.405 2.624 0 50 FFAA C=CC(=O)N[C@H](CNS(=O)(=O)c1cc(C)sc1C)c1ccccc1 1875383045 DKNMUONUOVJEJS-OAHLLOKOSA-N 364.492 2.687 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)Cn1c(C)nc2ccccc21 952868418 OAFZKPXHVFYYQO-UHFFFAOYSA-N 350.422 2.662 0 50 FFAA COc1ccccc1OCc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096303 AEVRNYDWPQEKAC-GUYCJALGSA-N 356.382 2.632 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2CNS(=O)(=O)c1cn(C(C)C)cn1 166825240 PLOCTJOKYUHUMM-OAHLLOKOSA-N 363.483 2.871 0 50 FFAA CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 273591671 HJIQSLQMAGRUHI-INIZCTEOSA-N 368.462 2.782 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)c1csc2c1CCCC2 274859820 VRHLCRQRRJHCMR-UHFFFAOYSA-N 357.479 2.789 0 50 FFAA COC(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)ccn1 168909211 HVRVJHZMVGAWCN-CQSZACIVSA-N 352.312 2.772 0 50 FFAA O=C(Cc1cc(-c2ccccc2)on1)N[C@H](C(=O)O)c1ccccc1F 170066747 CSNAKQHSLYYEGS-SFHVURJKSA-N 354.337 2.965 0 50 FFAA CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 188086214 YWVUEGJYJLNWBB-YJBOKZPZSA-N 360.502 2.921 0 50 FFAA O=C(c1cn(-c2ccccc2Br)nn1)N1CCc2ccncc21 755985665 NGSHRUFJLCPLMM-UHFFFAOYSA-N 370.210 2.628 0 50 FFAA Cc1cc2[nH]c(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc(=O)n2n1 1529118708 OPGFRIRCAYDFEG-UHFFFAOYSA-N 362.437 2.587 0 50 FFAA CC(=O)N[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1c1ccc(C)cc1 222035593 IGWJYADVLJRIIU-KGLIPLIRSA-N 368.359 2.501 0 50 FFAA O[C@@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1Cc1ccc2ccccc2n1 1704337304 ZIVWGLSBVXNPIV-CRAIPNDOSA-N 350.422 2.531 0 50 FFAA CO[C@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1Cc1cc(C)no1 1704303293 GHTLRJKJKMAPGA-PBHICJAKSA-N 372.400 2.862 0 50 FFAA CCOC(=O)[C@@H]1Cn2c(nc3c(c2=O)C(C)(C)Cc2ccccc2-3)S1 797629 IGSSVRJHGXDYBF-ZDUSSCGKSA-N 356.447 2.781 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CC[C@@H]1O 1616068791 AOXVVKHNSVGIJY-UXHICEINSA-N 355.434 2.576 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@@H]3c3n[nH]c(=O)[nH]3)c(C)o2)ccc1F 11949700 ADDWQDMXQLFVTB-CQSZACIVSA-N 373.388 2.546 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)[nH]1 12447988 SJJHUVAOCOGERT-UHFFFAOYSA-N 368.481 2.975 0 50 FFAA COc1cccc(CN2CCC[C@@](O)(CNC3CCCCCC3)C2=O)c1 12613181 XXWRKFJPFJVKMU-OAQYLSRUSA-N 360.498 2.861 0 50 FFAA CCS(=O)(=O)N1C[C@H](C(=O)Nc2c(C)cccc2C)Oc2ccccc21 13677825 NHLFHORWBXXORP-QGZVFWFLSA-N 374.462 2.859 0 50 FFAA Cn1nccc1C(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 14970446 QXJUPNFTDVSBSR-OAQYLSRUSA-N 372.513 2.845 0 50 FFAA CN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(CCc2ccccc2)C1 15064477 UVYHWJWGFHJWRP-FQEVSTJZSA-N 371.525 2.555 0 50 FFAA CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N1CCCCC1 15922113 CGGQDSPUUJQXIP-GOSISDBHSA-N 354.454 2.732 0 50 FFAA CSc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCC(C)CC1 16648429 BKHVSTXNHXJVRY-UHFFFAOYSA-N 370.540 2.967 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1OC 19773944 KXCDKBUGPHIFBT-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CCOC(=O)C1=NNC(c2ccccc2)(c2ccccc2)[C@@H]1C(=O)OCC 4174394 UFBGIOJISDMOII-KRWDZBQOSA-N 366.417 2.632 0 50 FFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccncc4)c(=O)n1c23 2355391 XBZYVYXPWKSSJF-LLVKDONJSA-N 367.380 2.678 0 50 FFAA CCCn1cc(C(=O)N2C[C@@H]3[C@@H](C(=O)OCC)[C@@H](C)C=C[C@H]3C2)c(C)n1 1857733375 IBIXXDHVHNXRQS-IKICRFKJSA-N 359.470 2.675 0 50 FFAA CCCCc1ncc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)[nH]1 1875248027 VEWYZMOSZKAIMY-GHTZIAJQSA-N 371.481 2.633 0 50 FFAA C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1 225582239 LDKHKYMXUSFYEX-KRWDZBQOSA-N 351.450 2.555 0 50 FFAA CC(C)N1CCN(CCCOC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 225843133 FOFOUOWFCFJKLA-UHFFFAOYSA-N 373.497 2.608 0 50 FFAA O=C(O)CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCOCC1 238108006 ZQYWNPLMUWEBRA-UHFFFAOYSA-N 350.173 2.838 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CSCC1CC1 247796340 COWVGHOZPUJHAK-AEFFLSMTSA-N 358.507 2.893 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 907602141 MJOJWSFBOKKYFY-UHFFFAOYSA-N 355.438 2.877 0 50 FFAA O=C(Nc1cccc2nonc12)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 808802745 RHCJDFDWEAGRNF-CQSZACIVSA-N 366.377 2.820 0 50 FFAA C[S@](=O)CCNC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 847324813 HJFVWCDJPDLPIE-DEOSSOPVSA-N 358.454 2.698 0 50 FFAA COC(=O)c1ccn2cc(CN3CCN(C)C[C@@H]3c3ccccc3)nc2c1 2325857017 MDKXLFPCGMWXTL-LJQANCHMSA-N 364.449 2.610 0 50 FFAA O=C(CCNC(=O)c1coc(-c2ccc(F)cc2)n1)Nc1cccnc1 2325871259 FASVLLSWUPVLHC-UHFFFAOYSA-N 354.341 2.634 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(Cl)cc(F)cc3C2)C1 2325889142 BHZDTSJNJOCZOY-GFCCVEGCSA-N 350.821 2.788 0 50 FFAA Cn1c(Cc2ccccc2)cnc1C(=O)N1CCc2ccccc2[C@H](O)C1 2325893127 WJIIEUFFSXSHFO-HXUWFJFHSA-N 361.445 2.743 0 50 FFAA CCn1cc(CS(=O)(=O)Cc2csc(-c3ccccc3F)n2)nn1 899962329 BIRNONDSNGTPSA-UHFFFAOYSA-N 366.443 2.676 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Br)cc1 629629 JTXAZYHFWIYHKD-LBPRGKRZSA-N 355.257 2.805 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 2871945 XTDQCAVAQMLTEJ-GOSISDBHSA-N 359.447 2.892 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2c(-c3ccccc3)noc2C)CC[C@H]1O 2356150078 KRWWJGOEGXOFIO-FOIQADDNSA-N 372.421 2.728 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc(-c4ccccc4O)[nH]n3)C[C@H]21 2356169691 VXVRLHSOTJGEIN-AGKSTNPPSA-N 355.438 2.796 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 10302276 JUHSOXWYGXELBD-SNVBAGLBSA-N 365.282 2.994 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N2CCN(CCc3ccccc3)CC2)n1 20119248 CMTVIDNFCAQLCY-UHFFFAOYSA-N 362.481 2.550 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642855 OYPPJMLKAYYWHH-WAFMDYGDSA-N 368.470 2.545 0 50 FFAA in-vitro CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608228 MAZQUZXRIUQZAM-ZDUSSCGKSA-N 372.918 2.797 0 50 FFAA O=c1cc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)[nH]c2ccccc12 20295392 JQLZRTLLPDYNPJ-IBGZPJMESA-N 369.509 2.729 0 50 FFAA O[C@H]1[C@H](NCCCOc2ccccc2)c2ccccc2C12CCNCC2 72158514 MTUCRLVNTOYVHD-RTWAWAEBSA-N 352.478 2.782 0 50 FFAA COc1ccc(NC(=O)c2ccc(CN3CCc4n[nH]cc4C3)cc2)cn1 67713124 AEDIVRDPHDKQHT-UHFFFAOYSA-N 363.421 2.624 0 50 FFAA COc1ccc([C@@H]2CC(=O)NCc3nc4cc(C)ccn4c32)cc1C(=O)O 65373396 DOGMXEOOEVLMKW-ZDUSSCGKSA-N 365.389 2.501 0 50 FFAA CCN(C(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C1CCOCC1 67817974 QVUDAIYCJGFUEM-UHFFFAOYSA-N 374.393 2.623 0 50 FFAA Cc1nn(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1Br 2778273 PJKGBLWMAXZFAL-UHFFFAOYSA-N 357.296 2.530 0 50 FFAA Cc1nc(S(=O)(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1C 72166306 CZACZHKEFAHGBH-MRXNPFEDSA-N 363.483 2.610 0 50 FFAA CCc1nn(C)cc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328624519 CLENASJUYQVYAF-HNNXBMFYSA-N 370.501 2.550 0 50 FFAA COCc1ccsc1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 328610783 JCFHJOVYMVYHSC-GFCCVEGCSA-N 351.428 2.615 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2=O)c1 77319818 HJRIGQSIZUJGIG-UHFFFAOYSA-N 363.417 2.661 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1 72427155 XLGKIMVTUMOOAU-LJQANCHMSA-N 360.498 2.911 0 50 FFAA Cc1ccc([C@@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 236607677 XWGISQIWJCPWLB-IBGZPJMESA-N 372.513 2.512 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 77486864 BSKOJOQOAQDTHZ-LJQANCHMSA-N 374.444 2.931 0 50 FFAA CNC[C@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237277213 RRCUHWRVPVPGOY-MRXNPFEDSA-N 367.478 2.820 0 50 FFAA CN(CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)Cc1cccnc1 72421221 PHUHFGGEVBDFGI-KRWDZBQOSA-N 363.465 2.796 0 50 FFAA Fc1cccc(-c2nnc(CN3CCCC[C@@H]3CCN3CCOCC3)o2)c1 72154295 HJUPJDAUSLZNIS-GOSISDBHSA-N 374.460 2.953 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCCn2nc(CO)cc2C1 220247857 GEBOBTDPZMUMAP-UHFFFAOYSA-N 369.444 2.723 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2cnn(C)c2n1 175452933 LBBUMENMGWQHNO-UHFFFAOYSA-N 369.856 2.893 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)CC2=O)cc1 82107200 SBIWZRXQSHAPDK-MRXNPFEDSA-N 362.433 2.781 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)CCN1 177841300 RSRVUWPFYVQWBC-INIZCTEOSA-N 356.397 2.547 0 50 FFAA O=C(NCc1n[nH]c2c1CCC2)N1CCC(Oc2ccccc2F)CC1 426504636 RMBDBMZIVNXDFB-UHFFFAOYSA-N 358.417 2.791 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2nc3ccccc3n2C)c1C 221321026 UHZJWAPIMBZRCK-GFCCVEGCSA-N 367.453 2.857 0 50 FFAA CC(C)c1nc(CN(C)C(=O)Cn2nccc2[C@H]2CCCNC2)cs1 426465257 RPRXUEIFCHLCND-AWEZNQCLSA-N 361.515 2.589 0 50 FFAA CN(Cc1cccc2ncccc12)C(=O)c1ccc2c(=O)n(C)cnc2c1 82161754 BZQBCFMELQNXCY-UHFFFAOYSA-N 358.401 2.754 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC(c2nccn2CC2CCC2)CC1 95517484 NGXYMNKDSUBINM-UHFFFAOYSA-N 364.453 2.974 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426556062 VXIRTDYSZOVZFN-CQSZACIVSA-N 369.444 2.629 0 50 FFAA C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239402654 QWRNWBJUEJNSTO-WHRSFKOUSA-N 370.836 2.720 0 50 FFAA Cc1ccc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c(C)c1 91965771 XGNZCVZUIPZSCG-IFMALSPDSA-N 356.510 2.889 0 50 FFAA O=C1COc2cc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc2N1 96133683 IFOGBJXZYCFNNO-HNNXBMFYSA-N 370.409 2.569 0 50 FFAA CCc1nc2c(N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)ncnc2o1 91643697 DQFVJOIVURVUAB-HXUWFJFHSA-N 369.469 2.799 0 50 FFAA COc1nc2c(cc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1)CCC2 92078334 WFUSKZUTQWUEOQ-LJQANCHMSA-N 351.450 2.708 0 50 FFAA CCc1cc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)on1 92045918 BBUALIWJLGUPEB-UHFFFAOYSA-N 365.437 2.897 0 50 FFAA FC(F)(F)[C@@H]1CCN(c2nnnn2-c2ccccc2)CC12CCOCC2 334055663 VADOCWYXDDPJPC-CQSZACIVSA-N 367.375 2.848 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccc3c(c1)nc(C)n3C)C2 91321398 HBFNOVLCEWIYEP-MRXNPFEDSA-N 365.433 2.758 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 91663619 RERNLWBDJJTUBM-UHFFFAOYSA-N 365.481 2.946 0 50 FFAA O=S(=O)(NC[C@H]1Cc2ccccc21)c1ccc(OCC(F)F)cc1 182477171 RKNRVQMTHCHZQN-CYBMUJFWSA-N 353.390 2.949 0 50 FFAA COc1ccccc1CNC(=O)CCN1CCO[C@@H](c2ccccc2)C1 244794634 QQTLPYAUPCEWQV-HXUWFJFHSA-N 354.450 2.775 0 50 FFAA N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CC(=O)N1CCCC1 252571545 YECFJXQQEUZVBL-UHFFFAOYSA-N 368.462 2.994 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCC(=O)N3C)on1 534590212 BUDROPGWCGBTJB-AWEZNQCLSA-N 356.382 2.707 0 50 FFAA CN(C)[C@H](C(=O)N1CCC(Oc2ccncc2)CC1)c1cccc(F)c1 299756516 GHPALTCUWNUYPT-IBGZPJMESA-N 357.429 2.893 0 50 FFAA O=C(NCC12CCCN1CCC2)Nc1ccc(OC[C@H]2CCCO2)cc1 299782661 JJJURAHAURXKQF-GOSISDBHSA-N 359.470 2.994 0 50 FFAA Cc1ccc(F)c(C(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)c1Cl 299768110 IWLLWZHEBFZOHA-MRXNPFEDSA-N 365.880 2.640 0 50 FFAA O=C(NCc1cc(-c2ccccc2Cl)no1)N1C[C@H]2CC[C@@H](C1)NC2 827977186 UZVANOQPSPVDNN-STQMWFEESA-N 360.845 2.888 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)N2CCC(O)(CN3CCCC3)CC2)c1 584892651 YTFNOIUFQOHLHL-GOSISDBHSA-N 359.514 2.997 0 50 FFAA O=C(Cc1cccs1)NC[C@H]1CCCN(Cc2cccc3nonc23)C1 827855509 ASFGAVUCMNJSRR-CQSZACIVSA-N 370.478 2.855 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(C(=O)c1ccc3scnc3c1)CCO2 822529401 HDVQVBVYQVBWGM-UHFFFAOYSA-N 373.478 2.540 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)NCc2nc(-c3ccccc3F)no2)C1 584897500 ZOVVKZKDTAEFRD-CYBMUJFWSA-N 362.405 2.976 0 50 FFAA C[C@H](O)CCN(C)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 268150986 KUAVKABCFLOSPF-WMZOPIPTSA-N 368.477 2.921 0 50 FFAA COc1cc2cc(C(=O)N3CC[C@]4(C(=O)O)CCC[C@H]34)[nH]c2cc1OC 872767420 YYTAGVVEHIISMG-QFBILLFUSA-N 358.394 2.655 0 50 FFAA Cn1cc(NC(=O)N2CCC(Cn3cnnc3)CC2)c(C2CCCC2)n1 1875297162 FJVCNZBOYTXFCL-UHFFFAOYSA-N 357.462 2.613 0 50 FFAA C[C@@H](C(=O)N1CCC(C(=O)N=c2cc[nH]cc2)CC1)c1ccc(F)cc1F 1875260587 QOPDYQBRVIUNCH-CYBMUJFWSA-N 373.403 2.763 0 50 FFAA CN1CCC2(CCC(NC(=O)c3cnnn3Cc3ccccc3)CC2)CC1 1875270927 JBOXPJIMKMTPCK-UHFFFAOYSA-N 367.497 2.711 0 50 FFAA CCOC(=O)C(CNC(=O)OC(C)(C)C)(C(=O)OCC)c1ccccc1 1875329467 XCELXCXYGHCDOL-UHFFFAOYSA-N 365.426 2.575 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@H]2COc3ccc(OC)cc3C2)c(C)c1 952872025 HDYMYENDCUVZEW-OAHLLOKOSA-N 354.406 2.553 0 50 FFAA COCC(=O)N1CCC[C@@H]2CN(c3cc(C)nc(C4CCC4)n3)CC[C@H]21 1875330440 XVMVVHNFULXURT-IAGOWNOFSA-N 358.486 2.516 0 50 FFAA C[C@@]1(c2ccc(-c3noc(CC4CC5(CCC5)C4)n3)cc2)NC(=O)NC1=O 1875361105 PSNJGDBXZUYAOB-IBGZPJMESA-N 366.421 2.914 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3cnc(C4CC4)s3)C2)ccn1 886072153 XGAHOWBPLSKBHJ-KRWDZBQOSA-N 372.494 2.705 0 50 FFAA COc1ccc2oc(CN3CCC[C@@](O)(Cc4nc(C)no4)C3)cc2c1 888076298 VHVZXDHVODTZMC-LJQANCHMSA-N 357.410 2.702 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1ccc2c(c1)OCO2 1565517094 OTUBQHDDJMCUFY-LPHOPBHVSA-N 355.390 2.519 0 50 FFAA Clc1ccc(N2CC[C@@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1 302862944 WLFBRQNCLWAWLP-OAHLLOKOSA-N 359.861 2.657 0 50 FFAA CCOc1cc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)ccc1OC 275440058 WLXVCTSKYAMGNB-KXBFYZLASA-N 373.453 2.530 0 50 FFAA CN1CCC[C@@H]1C(=O)NCC1CCN(CCSc2ccccc2)CC1 1506430428 ZMXAIHASBNXTKY-LJQANCHMSA-N 361.555 2.701 0 50 FFAA Cc1ccsc1[C@H](CNC1CCN(C(=O)c2ccncc2)CC1)N(C)C 1506399439 NPVZQAKQRRGHKO-SFHVURJKSA-N 372.538 2.949 0 50 FFAA O=C(N1C[C@@H](O)[C@H](Cc2cnccn2)C1)C1(c2ccc(Cl)cc2)CCC1 1529155671 YNUOOEKMGDMFNQ-RDTXWAMCSA-N 371.868 2.614 0 50 FFAA Cc1cccc(CN2CCCN(C(=O)COCc3ccccc3)CC2)n1 1529159451 QYHONXYYHATWCI-UHFFFAOYSA-N 353.466 2.641 0 50 FFAA CSc1ccc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 219788241 YZGIOCPOBVZECS-SJORKVTESA-N 358.507 2.810 0 50 FFAA COC1CCN(C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772813057 URJPPLXRJFZXOZ-AWEZNQCLSA-N 357.479 2.947 0 50 FFAA O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(C2CCSCC2)C1 11816364 QUXSYXBBCWDOJJ-KRWDZBQOSA-N 368.568 2.714 0 50 FFAA CC[C@@]1(CCC(=O)N2CCCOc3c(cccc3OC)C2)CCC(=O)N1 12213609 MTCZVSUMCLYTLN-FQEVSTJZSA-N 360.454 2.645 0 50 FFAA C/C=C/Cn1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 12343350 CEBJHCAQZCYRKC-SNAWJCMRSA-N 355.442 2.539 0 50 FFAA O=C(COc1ccccc1Cl)NCC1(N2CCOCC2)CCCCC1 19902140 XHAZUTIZIXDZPK-UHFFFAOYSA-N 366.889 2.870 0 50 FFAA Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1cccc(F)c1)N2 169764108 VYANKUYUKZFLQX-UHFFFAOYSA-N 368.412 2.801 0 50 FFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)OCc1ccccc1 4840913 XKWYEILHEAZOKW-UHFFFAOYSA-N 370.405 2.673 0 50 FFAA O=C(c1cccc(Br)c1)N1CCN(C(=O)c2ccco2)CC1 4870136 GKGVHIYSJIGKHX-UHFFFAOYSA-N 363.211 2.640 0 50 FFAA CC[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 4995600 TYMGBNQZSRUPAY-AWEZNQCLSA-N 364.442 2.936 0 50 FFAA CC(C)N(C(=O)Cn1nc(C(F)(F)F)n(N)c1=S)c1ccccc1 2597911 TYDNGZFESOIQKV-UHFFFAOYSA-N 359.377 2.588 0 50 FFAA Cc1cc(C)n(CCC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n1 1857681039 VTMWNIMWDDHYJP-VWPQPMDRSA-N 367.493 2.875 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc2nccnc2c1 1857730962 FPLHKXJLKKEEDP-BBTUJRGHSA-N 374.444 2.574 0 50 FFAA CC(C)C[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 2579059 XBMQRPDOXIPUFG-HNNXBMFYSA-N 364.467 2.683 0 50 FFAA in-vitro Cn1cnnc1[C@@H]1CCCN1C(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12 328607580 WNUJGSXNDSOWLF-XFQAVAEZSA-N 366.465 2.998 0 50 FFAA COc1ccc(CCC(=O)N2CCCC[C@H]2C(=O)O)cc1Br 237186577 MCZSBZCXCLRPDB-ZDUSSCGKSA-N 370.243 2.856 0 50 FFAA CC(C)C[C@H](C(=O)Nc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 244734743 NLCPOHSSOCXNRV-WSWKGWCUSA-N 352.434 2.847 0 50 FFAA O=C(COc1ccccc1OCC(F)(F)F)N1CC[C@@]2(CCOC2)C1 153088501 IPGKLUFBWIXTHS-MRXNPFEDSA-N 359.344 2.646 0 50 FFAA NC(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 363122259 MFTSHTMWGOVGQE-ZDUSSCGKSA-N 357.841 2.695 0 50 FFAA CC(=O)N1CCC(NC(=O)NCc2cccc(-c3cccnc3)c2)CC1 363814330 GIWHCALIMHWYDT-UHFFFAOYSA-N 352.438 2.559 0 50 FFAA CC1(C(=O)NCc2cccc(C(N)=O)c2)CCN(Cc2ccccc2)CC1 157531931 MVIZEIIXNUYLSZ-UHFFFAOYSA-N 365.477 2.704 0 50 FFAA CCCn1ncc(C(=O)N2CCN(c3cc(C)ccn3)CC2)c1C1CC1 158497913 NDWBMRPXZHZQNQ-UHFFFAOYSA-N 353.470 2.836 0 50 FFAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1 263750115 PQOZKEMVSZPLTJ-MRXNPFEDSA-N 372.448 2.540 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccccc3)C1)CC2 1704336204 VOJDOYIGIKVCMD-OAQYLSRUSA-N 350.466 2.592 0 50 FFAA CCOC(=O)N(C)C1CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 811800569 AEXYWWBXFLYWQV-HNNXBMFYSA-N 361.490 2.770 0 50 FFAA Fc1ccc2sc(CN3CCN(CCc4cnccn4)CC3)nc2c1 2325760850 HBYIGUILWNZAPU-UHFFFAOYSA-N 357.458 2.586 0 50 FFAA O=C1CC(c2ccc(COC(=O)CN3C(=O)COc4ccccc43)cc2)C1 2325780759 NONMOSJWFKHUSL-UHFFFAOYSA-N 365.385 2.602 0 50 FFAA COc1ccc(-c2cn(Cc3cc(C4CCNCC4)no3)nn2)c(F)c1 2325787199 JBBKKOGIVLMJPY-UHFFFAOYSA-N 357.389 2.596 0 50 FFAA COc1ccc(OCCNC(=O)[C@@](N)(C(C)C)C(F)(F)F)cc1Cl 2325827139 WLVLHIQDVFBHNE-AWEZNQCLSA-N 368.783 2.759 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@]34CCCC[C@@H]3C4)[C@@H]2C)cn1 2325828795 RGOTZUCAIHRJFF-OYRIPWCXSA-N 358.486 2.593 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)C1 2325888354 LCZSGDDAIDBXDO-HOTGVXAUSA-N 361.511 2.657 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(C)n1 790545 FXQBNYTXHNGQKY-UHFFFAOYSA-N 362.455 2.879 0 50 FFAA O=C(N/C(=C\c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl 2982718 RBGFVDNVOUOTGF-JXAWBTAJSA-N 370.836 2.970 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1 4557482 JYNFDLBSWDIVNR-YJBOKZPZSA-N 358.463 2.717 0 50 FFAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)[C@H]2C=C[C@H]1C2 101277255 LYURIHUNSUUWJM-LAQRGFTBSA-N 374.868 2.507 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)cc1 20201762 WDIIBYLVNQYYER-IBGZPJMESA-N 366.465 2.600 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CO[C@@H]1CCCC[C@@H]1CC)CC2 248708840 IMYVQZWZGLSUOA-XWTMOSNGSA-N 353.503 2.750 0 50 FFAA CC(C)(C)C(=O)CNC(=O)C1(Oc2ccc(Cl)cc2)CCNCC1 65407252 RKJATJWPJZPLQK-UHFFFAOYSA-N 352.862 2.572 0 50 FFAA COc1cccc(-c2cc(NC(=O)c3cccc(-n4cccn4)n3)n(C)n2)c1 119342018 FVIUZKBPSYKWCL-UHFFFAOYSA-N 374.404 2.929 0 50 FFAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCNC(=O)c1cccnc1 69115548 LDFHPIWVKLRXPE-MRXNPFEDSA-N 368.481 2.867 0 50 FFAA Cc1cc(Cl)ccc1OCCCC(=O)NCCCN1CCOCC1 20352748 VFDJZVDVYCZGCC-UHFFFAOYSA-N 354.878 2.646 0 50 FFAA CCc1cc(CNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)on1 67975494 JGHAUEIISUSZRC-FQEVSTJZSA-N 363.502 2.651 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)C3(N)CCC3)[nH]c2-c2ccccn2)cc1 67881441 ORVIBOYSBMGJAC-UHFFFAOYSA-N 361.449 2.945 0 50 FFAA CN(Cc1cccc(C(=O)Nc2nccn2C)c1)Cc1cc(C2CC2)[nH]n1 67935162 OTZOSGHZAZHFMJ-UHFFFAOYSA-N 364.453 2.905 0 50 FFAA Cc1ccc(F)cc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65372723 PYDIHKHSPIMPCR-DOTOQJQBSA-N 357.381 2.853 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)CCc1nc(-c2ccccc2)no1 77427392 JRFMWCDIWZAIIP-UHFFFAOYSA-N 353.426 2.758 0 50 FFAA Cn1cnnc1C1CCN(C(=O)Nc2ccccc2N2CCCC2)CC1 124359515 KIIFGYWPJKZYJY-UHFFFAOYSA-N 354.458 2.827 0 50 FFAA Cn1ccnc1CN1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71714529 BRUMHQWEHKMTPS-CDHQVMDDSA-N 358.436 2.761 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 71315019 FZXMNXAQFUMLOZ-INIZCTEOSA-N 361.449 2.878 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)CCC(C)C)C2=O)c1 71315655 FQBYELOUBGZUDU-HXUWFJFHSA-N 366.477 2.666 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN(Cc4nccn4C)CC3)cn2)c1 215853393 RPIHFBMHAUJKFD-UHFFFAOYSA-N 362.481 2.503 0 50 FFAA O=C(N1CCC(c2cnc[nH]2)CC1)C1(OCc2ccccc2)CCOCC1 333216744 CQVVCHIURBMTKD-UHFFFAOYSA-N 369.465 2.882 0 50 FFAA COc1cc(CNCc2ccccc2-n2cccn2)cc2c1OCCO2 128939078 QTORDTMMVMMQFY-UHFFFAOYSA-N 351.406 2.942 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 237639008 SJZNYEMZIWKESW-KRWDZBQOSA-N 351.830 2.711 0 50 FFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1ccoc1C1CC1 369065124 NTEGFPKYBGDBLR-NRFANRHFSA-N 354.450 2.866 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H](c4ncn[nH]4)C3)c2)n1 216009060 YZZJRTYKPATMIU-GOSISDBHSA-N 364.453 2.686 0 50 FFAA CN(C)CCCN1CC2(CCN(Cc3cc(F)ccc3F)CC2)OC1=O 72428397 WWKPTEUUGPOSIB-UHFFFAOYSA-N 367.440 2.703 0 50 FFAA Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 36621233 MKRXSHOSJYHWDN-MRXNPFEDSA-N 372.446 2.966 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1 216438534 SBJHONXWZWMPMW-HNNXBMFYSA-N 358.529 2.503 0 50 FFAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCN(c2ccncc2)CC1 215255014 AIBPXYNLWHXNCK-UHFFFAOYSA-N 367.840 2.883 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)Nc3ccc(F)cc3)C2)o1 71576144 OGBPEEHPAADLSH-KBPBESRZSA-N 360.385 2.889 0 50 FFAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 219363031 AONSGTUODKLAFP-INIZCTEOSA-N 352.442 2.738 0 50 FFAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN(C2CCNCC2)CC1 72423609 MTRLZDPDVLCYDU-UHFFFAOYSA-N 354.450 2.890 0 50 FFAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(Cc2cccnc2N)CC1 82138937 GQISVFFPCYEFET-UHFFFAOYSA-N 359.401 2.610 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc1 82138727 BYDOWAKQFXNFDM-FQEVSTJZSA-N 364.445 2.710 0 50 FFAA Cc1nc(C2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc(=O)[nH]1 82107975 LSGBXXNDCOFQND-UHFFFAOYSA-N 363.364 2.700 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)c(OC)c1 82107762 YDYAAGIXNYHEKK-OAHLLOKOSA-N 368.433 2.890 0 50 FFAA CCn1cc(CNC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1 426379624 FXSXQEFDRCDGKE-FQEVSTJZSA-N 370.497 2.818 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2cccc(-c3ccc(C(N)=O)o3)c2)[nH]n1 426667665 VJQFZKZAZRCQPD-UHFFFAOYSA-N 366.421 2.996 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)c1cccc(-c2ncccc2Cl)c1 426491612 XXWSWSNJRBFGDV-OAHLLOKOSA-N 373.884 2.836 0 50 FFAA CCC[C@@H]1CN(Cc2nccn2-c2ccc(OC)cc2)C[C@H]1NC(C)=O 82087663 LDGDSKITWMSDDV-VQIMIIECSA-N 356.470 2.618 0 50 FFAA CCn1nc(C)c(CNC(=O)N2CCC(OCc3cccnc3)CC2)c1C 426590059 YUSRMAGKDIDEBI-UHFFFAOYSA-N 371.485 2.806 0 50 FFAA Cn1c(CNC(=O)N2CCSCC2)nc2cc(C(F)(F)F)ccc21 426652788 ASAKGZFRBBTGMT-UHFFFAOYSA-N 358.389 2.851 0 50 FFAA CC(=O)c1cc(CC(=O)NCCCSc2nnc(C)s2)cs1 97655459 ZYYHOJUELWPUOJ-UHFFFAOYSA-N 355.510 2.952 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2nccn2C)c1 426403472 GYVMXQHQBVOIQF-SFHVURJKSA-N 350.422 2.942 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CN3C)c(=O)[nH]1 96139367 GLLLDJXTQQQTGS-SFHVURJKSA-N 365.477 2.777 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)C[C@@H](c2ccccc2)C1=O 95388571 AYQROIGCEIKWJF-KRWDZBQOSA-N 351.450 2.883 0 50 FFAA COc1cccc(-c2cc(C(=O)NCCCc3c(C)n[nH]c3C)[nH]n2)c1 91934368 ZLJRNSHSTGBLIV-UHFFFAOYSA-N 353.426 2.788 0 50 FFAA C[C@@H]1CN(C2CCN(C(=O)c3ccncc3)CC2)CC[C@@]1(O)C1CCC1 92045649 YFMBLQDTBBNICZ-IERDGZPVSA-N 357.498 2.559 0 50 FFAA Cc1ccc2nc([C@@H](C)NC(=O)c3cnc(-c4ccccn4)nc3O)[nH]c2c1 91624591 UNVQZUVSXTZGEU-GFCCVEGCSA-N 374.404 2.920 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@@H]2COc3ccccc3C2)cc1 91474409 WLZLJAQMEPJCGL-INIZCTEOSA-N 363.417 2.953 0 50 FFAA Cc1nc2c(c(NCCN3CCCOC3=O)n1)Cc1ccccc1OC2 95525655 GMWQXZGKPZTGHC-UHFFFAOYSA-N 354.410 2.522 0 50 FFAA C[C@@H](C(=O)N1CCC(c2nccn2C)CC1)N1CCc2ccccc2C1 91575333 DFZIWTWWYKNFSP-INIZCTEOSA-N 352.482 2.573 0 50 FFAA O=C(Nc1cccc(Cc2ccccc2)c1)N1CC(N2CCOCC2)C1 95521211 RGWOKPBJLNKBHQ-UHFFFAOYSA-N 351.450 2.826 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)[C@H]1CCC(=O)N(C2CCCC2)C1 91595612 WVDQRKLRTBYYIN-HNNXBMFYSA-N 374.485 2.567 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]12CCN(c1nccc(C(F)(F)F)n1)C2 91756028 RWOLSPRHBQIHMC-INIZCTEOSA-N 354.376 2.724 0 50 FFAA C[C@@H]1CCc2sc(C(=O)N3CCN(Cc4nccn4C)CC3)cc2C1 92022044 KDUSFEDBQQFVPV-CQSZACIVSA-N 358.511 2.564 0 50 FFAA Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc(-c2ccccn2)no1 244795830 ROJQWQRBFMYQHT-AWEZNQCLSA-N 351.410 2.899 0 50 FFAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(N)=O 252484754 GGSIWCNMHNTEMT-UHFFFAOYSA-N 354.815 2.638 0 50 FFAA CC(C)c1ccc(-c2ccc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)cc2)nn1 534644121 ASJKFCRQGSQZTO-IBGZPJMESA-N 366.465 2.864 0 50 FFAA COC(=O)c1cc(-c2ccc(C(=O)N[C@H]3CC[C@H](O)CC3)cc2)cn1C 534588813 JVXOEDVHICSPTB-QAQDUYKDSA-N 356.422 2.512 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCn1ccnc1C)O2 299773037 CZCAOODDBCQIBP-FQEVSTJZSA-N 357.454 2.722 0 50 FFAA COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCNCC3)C2=O)c1 299781545 HZHZENQKBTYWFY-UHFFFAOYSA-N 359.470 2.628 0 50 FFAA Cc1cc(N2CCC3(CC2)CN(Cc2ccc(C)s2)CCO3)nc(N)n1 825199517 QJWSSWKJMAWORK-UHFFFAOYSA-N 373.526 2.609 0 50 FFAA CCN(C[C@@H]1CCCN1CC)C(=O)c1cn(-c2cccc(Cl)c2)nn1 952845715 JMPFAJXYGNFPPV-INIZCTEOSA-N 361.877 2.867 0 50 FFAA O=C(NC[C@H]1CCCN(c2noc(C3CC3)n2)C1)c1ccc2c(c1)CCO2 952967017 YLJGPRAFMLQEEB-CYBMUJFWSA-N 368.437 2.528 0 50 FFAA Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(O)cc(=O)o2)c1 1875355684 DYZFLJDNVCPUBT-UHFFFAOYSA-N 350.374 2.891 0 50 FFAA CCCC1CC(C(=O)N[C@H](CCc2c[nH]nc2C(F)(F)F)C(=O)O)C1 1875321035 RPPYBIQYQNNNAY-QEWOUOOISA-N 361.364 2.757 0 50 FFAA O=C1O[C@@H]2CCN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C[C@H]2O1 1875319973 AOJQTDWTKKQJTN-VXGBXAGGSA-N 356.300 2.728 0 50 FFAA CN(C)C/C=C/C(=O)N[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875376542 AMUYIJYZKWKZEL-LKEBIXNSSA-N 365.518 2.694 0 50 FFAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)cc1Cl 952970492 KVSRHDCIQUNRKR-CQSZACIVSA-N 372.856 2.788 0 50 FFAA CCCCNC(=O)CN(C)Cc1cccc(OCCCn2ccnc2)c1 952989023 RTRNOOBJGWUCPP-UHFFFAOYSA-N 358.486 2.700 0 50 FFAA Cc1cccc(SC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 952866989 IDDROMGBJDLGQI-UHFFFAOYSA-N 351.497 2.674 0 50 FFAA CN1C(=O)CC[C@H](CN[C@@H]2CCc3ccc(F)cc32)[C@H]1c1cnn(C)c1 886026758 YMZLPZARRZBGMW-DJKXOVBDSA-N 356.445 2.746 0 50 FFAA O=C(c1ncccc1O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565508421 OVMCEAJPNXLIFQ-WHSLLNHNSA-N 366.417 2.898 0 50 FFAA C[C@]1(C(=O)NS(=O)(=O)c2c(Cl)cccc2Br)C[C@H]1F 408500760 PHQLQQLSNLPTSS-KCJUWKMLSA-N 370.627 2.656 0 50 FFAA COc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 170611147 QJXGEOFZPKFVTL-KUHUBIRLSA-N 353.422 2.721 0 50 FFAA Cc1cccn2cc(C[S@](=O)CCCn3c(=O)oc4ccccc43)nc12 170656610 FELPVLWUXMDLHI-AREMUKBSSA-N 369.446 2.890 0 50 FFAA COc1cccc(C(=O)Nc2ccc(I)cc2)n1 752264712 FSFBONTYPROSOT-UHFFFAOYSA-N 354.147 2.947 0 50 FFAA COC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2C 771101706 WJZJEWXGSGJNID-UHFFFAOYSA-N 368.231 2.505 0 50 FFAA CN1CCC(C(=O)Nc2c3c(nn2C)CSC3)(c2ccccc2)CC1 1506406251 FPFOMPIODHWMAU-UHFFFAOYSA-N 356.495 2.769 0 50 FFAA COCc1cc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)ccc1OC 1529125949 CPYOSWDLNDCDNQ-NHCUHLMSSA-N 357.450 2.776 0 50 FFAA NC(=O)c1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCC2 1054565 PLHDFEXJMFUSFZ-UHFFFAOYSA-N 354.387 2.694 0 50 FFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2cc(C(C)(C)C)n[nH]2)C1(C)C 210290502 CDKZXNHFCRYUEK-VBKZILBWSA-N 362.518 2.902 0 50 FFAA COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 833345 KGNMJANVZPTMES-UHFFFAOYSA-N 369.826 2.717 0 50 FFAA COc1ccc(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc1 1232339 ZRWCCOMLLZJFOY-JTQLQIEISA-N 370.689 2.814 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H]2CC3CCN2CC3)s1 1775983273 JITODCNYEVMNHV-INIZCTEOSA-N 357.479 2.919 0 50 FFAA COC[C@@H]1CCN(Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)C1 11663228 HVBIIBWSZGCVDZ-QGZVFWFLSA-N 370.497 2.737 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 12138709 VQSJHJUIHXNNMY-OAHLLOKOSA-N 354.406 2.565 0 50 FFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 12431578 ACJSLWBRKYWBIB-CTDFXDFQSA-N 352.482 2.599 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC3)c1 12445351 AANUQKVUOBVQEZ-SFHVURJKSA-N 368.437 2.771 0 50 FFAA O=C1O[C@@H]2CN(C3CCOCC3)C[C@@H]2N1CCc1cccc(Cl)c1 12455097 ZMAMUOODXUYBEN-DLBZAZTESA-N 350.846 2.567 0 50 FFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 13745551 FDVZLXOKQIYWJW-CQSZACIVSA-N 359.451 2.897 0 50 FFAA CC(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)c1 15075080 VPVCJSYXMLCSRX-GOSISDBHSA-N 357.454 2.556 0 50 FFAA CCOC(=O)c1sc2ncn([C@@H](CC)C(=O)OC(C)C)c(=O)c2c1C 921190 FFXIQBQRLCIJJJ-NSHDSACASA-N 366.439 2.846 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2OC)n1 4840225 HAYINLZQVURURX-UHFFFAOYSA-N 369.830 2.575 0 50 FFAA Cc1cc2cccc(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)c2o1 1857711416 YHFJRRPZTDQWID-FVJLSDCUSA-N 368.433 2.939 0 50 FFAA Cn1cncc1C(=O)N1CCC([C@H]2CCN(CCc3ccccc3)C2)CC1 20451652 LJCQKOMYPNMADI-FQEVSTJZSA-N 366.509 2.837 0 50 FFAA NCCCC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100545449 VRYBSFMNGDOYQI-OAQYLSRUSA-N 367.493 2.690 0 50 FFAA CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 36006941 RAHYDEYNMNOBFR-NCOADZHNSA-N 367.239 2.667 0 50 FFAA CCN1C(=O)N(c2nnn(C)c2C)C(=O)[C@H]1c1cc(Cl)cc(Cl)c1 2325764874 LZBCOTUYRVVRHN-GFCCVEGCSA-N 368.224 2.960 0 50 FFAA O=C(N1C[C@@H]2C(F)(F)C(F)(F)[C@@]2(Cl)C1)C(F)(F)c1cncs1 2325769909 PCWUVUYKSBSASR-YLWLKBPMSA-N 364.698 2.955 0 50 FFAA O=C1Nc2ccccc2C(C2CCCC2)=N[C@H]1C[C@H]1CCS(=O)(=O)C1 2325771683 FSKYXGKWQQJWCU-DYVFJYSZSA-N 360.479 2.811 0 50 FFAA CC(C)CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 2325868450 ZNMMLIGLKQQLES-MRXNPFEDSA-N 359.470 2.648 0 50 FFAA Cc1ccc(C)n1CC(=O)NC[C@H](C)NC(=O)c1cc(Cl)cs1 2325870775 OIQOIQWBBWCLDY-JTQLQIEISA-N 353.875 2.755 0 50 FFAA Cc1nn(C)cc1C1=NO[C@H](C(=O)N2[C@H]3CC[C@H]2CC(CC(F)F)C3)C1 884949022 VJXZDKIXYSFZMW-XEZPLFJOSA-N 366.412 2.646 0 50 FFAA COC(=O)c1cc(F)cc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c12 206304816 FFASSIQWTSNOTM-UHFFFAOYSA-N 366.348 2.932 0 50 FFAA COc1ccc(F)cc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 114693300 OTTDTLDTPOSSRH-CYBMUJFWSA-N 352.406 2.964 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1OC(F)F)C(=O)CO2 10820808 NFWXIDSIEXCLNV-UHFFFAOYSA-N 362.332 2.961 0 50 FFAA CCN(Cc1ccncc1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 55054363 BHNZJAUTYQZUJH-UHFFFAOYSA-N 352.394 2.940 0 50 FFAA CCOc1ccc(S(=O)(=O)N(CC)Cc2cn(CC)nc2C)cc1 20602736 PPERBFPCGIZWLG-UHFFFAOYSA-N 351.472 2.821 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1OC 22914232 FXCDEXJWWAKRIL-SFHVURJKSA-N 358.486 2.566 0 50 FFAA O=C(OCc1ccco1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100648687 OTAIBVOSMCORKG-USJZOSNVSA-N 363.369 2.948 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 248235524 SLFMBCMBAPRCPP-BDKRGJGYSA-N 373.456 2.670 0 50 FFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC=C(c2cnn(C)c2)CC1 65501146 ICZIHDIJFOFQKB-LJQANCHMSA-N 354.454 2.935 0 50 FFAA CCc1nnc(CN(C)C2CCN(c3ccc(-n4cccn4)cc3)CC2)o1 20997998 RTVKRDHTQURJSD-UHFFFAOYSA-N 366.469 2.919 0 50 FFAA O=C1NC[C@@H](c2ccccc2)Cc2[nH]c(-c3nc(-c4cccnc4)no3)nc21 65372183 GRXXBMZVTAPDRF-AWEZNQCLSA-N 372.388 2.591 0 50 FFAA COC(C)(C)CS(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C 331322686 FLMADMLZDBSRQD-UHFFFAOYSA-N 368.499 2.834 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)C3CCN(Cc4ccccc4)CC3)C2)n1 143575987 KZRGOBLYKRTMQD-IBGZPJMESA-N 368.481 2.996 0 50 FFAA CCOc1cc(CNC(=O)COCC(F)(F)F)ccc1OC(F)F 128171207 CQEUFMMEUHDFIH-UHFFFAOYSA-N 357.275 2.882 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)Cc2cn3c(n2)CCCC3)c2cccnc12 328633622 SQOSXMBBOCHSKS-UHFFFAOYSA-N 370.478 2.897 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCC(CCC(=O)NC2CC2)CC1 11661761 NNVRSQSDRSHPFM-UHFFFAOYSA-N 360.502 2.937 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2n1Cc1ccccc1F 171974624 FUSNCSNTHSUVQJ-SFHVURJKSA-N 365.408 2.919 0 50 FFAA O=C1CC[C@@]2(CCCN(CCN3CCCC3)C2)CN1Cc1ccccc1 72422620 YPKMIISAJJCSLN-JOCHJYFZSA-N 355.526 2.987 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCCC[C@H]1c1ccc(F)cc1 77322350 XVLKEWBLCCQQEG-KRWDZBQOSA-N 367.384 2.874 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 71714774 YEWQNPYNGABALU-KNGAYFSHSA-N 365.473 2.799 0 50 FFAA COC(=O)c1cccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 77520673 BMWBHHQKAKZESR-OAQYLSRUSA-N 356.466 2.840 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)Cc3c[nH]c4cc(Cl)ccc34)CCO2)no1 329390540 SHEQEMGTAGRLIE-HNNXBMFYSA-N 360.801 2.655 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)cccc2c1C 219893206 OPNRIULPLDBDNT-XWPNQZOQSA-N 353.466 2.766 0 50 FFAA CC(C)[C@H]1CN(C2CCN(C)CC2)CCC(=O)N1Cc1ccc(F)cc1 71551925 LUPXPTSBZAODKV-HXUWFJFHSA-N 361.505 2.979 0 50 FFAA O=C(NC[C@@H]1CCCN(CCCn2cccn2)C1)c1cc2ccccc2[nH]1 11933221 RUQWGRIUHUGMDU-KRWDZBQOSA-N 365.481 2.897 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3c3n[nH]c(C)n3)cc2)n1 214952857 VUKOWGUQEOQZSD-GOSISDBHSA-N 364.453 2.952 0 50 FFAA Cc1nccn1CCCC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12 72162000 MHYFOAGDXXTUIW-OAQYLSRUSA-N 366.465 2.509 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCCNC3)nn2)[C@H]1c1cccc(F)c1 333371783 FRTNCFCPRFGQPL-MZMPZRCHSA-N 357.433 2.565 0 50 FFAA CN1C(=O)CCc2cc(CN3CC[C@@](O)(c4ccc(F)cc4)C3)ccc21 368423483 XBZSXBDSABKNGA-NRFANRHFSA-N 354.425 2.828 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(CCC(C)(C)O)cc1 72480444 ZRVCCFWMNQIQNG-GOSISDBHSA-N 360.498 2.863 0 50 FFAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 173024505 WFHGCUZXQDBDDF-BTYIYWSLSA-N 368.481 2.848 0 50 FFAA CCn1nc(C)c(C(=O)NC2CCN(Cc3ccncc3)CC2)c1Cl 173137843 PLNGPEMGERLCGP-UHFFFAOYSA-N 361.877 2.654 0 50 FFAA CNCCC1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 262065899 ONSJCRQJFBFFRD-UHFFFAOYSA-N 352.862 2.502 0 50 FFAA Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@@H](C(=O)O)C3)cc2)cs1 237743085 PDKXSKGBKVXXAB-NFBGWVBBSA-N 372.446 2.977 0 50 FFAA COCc1nc2ncc3c(=O)n(-c4cccc5ccccc45)ccc3n2n1 71754977 UMVZUEXYXPUITK-UHFFFAOYSA-N 357.373 2.728 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 238102182 PTVQGFBAGLHLDZ-VIFPVBQESA-N 354.193 2.726 0 50 FFAA CN1CC[C@@H](CNc2nccc3c2C(=O)OC3(C)C)[C@@H]1c1cccnc1 377991909 QRVJKKDDJHAZFW-YOEHRIQHSA-N 352.438 2.987 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cc(Cl)ccc3F)C2)CN1CCO 77469976 WBBDOFXXLZFXNT-GOSISDBHSA-N 354.853 2.676 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@](O)(CO)CC2)cc1 218832464 LZTFBODBDIPTQZ-JOCHJYFZSA-N 353.462 2.935 0 50 FFAA CN(CCc1ccccn1)[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 15074366 OPZLFQHTENWFPY-NRFANRHFSA-N 366.509 2.973 0 50 FFAA C[C@@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCN(C)CC1 77470608 SUUYOUGDFHKTBT-INIZCTEOSA-N 355.486 2.589 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)c(F)c1 174677334 JMUYDHNMNGVOJY-UHFFFAOYSA-N 352.368 2.934 0 50 FFAA Cc1cc(N2CCC[C@H](NC(=O)c3csc4ccccc34)C2=O)n(C)n1 175014866 XHEHORDUCUVTFE-HNNXBMFYSA-N 368.462 2.869 0 50 FFAA CC(C)Nc1ncccc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 175072401 BJPVKQLXOYKFQL-UHFFFAOYSA-N 366.465 2.937 0 50 FFAA Cc1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 175372788 IVQSWBDXMQUBRR-UHFFFAOYSA-N 350.378 2.872 0 50 FFAA CC[C@@](NC(=O)c1ccc2c(c1)CCC(=O)N2C)(C(=O)O)c1ccccc1 263253274 KDOSIJFVXMQLRK-NRFANRHFSA-N 366.417 2.716 0 50 FFAA Cn1cc(/C=C/C(=O)N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)cn1 48063516 VMZODBOIXAYLFM-FARCUNLSSA-N 351.385 2.547 0 50 FFAA Cc1cccc(SC2CCN(C(=O)Cn3nc(C)c(C)cc3=O)CC2)c1 82098044 GTKQUQSCYCAZAM-UHFFFAOYSA-N 371.506 2.952 0 50 FFAA CCCN1CCCn2nc(CNC(=O)[C@H]3CCc4ccccc4C3)cc2C1 82083926 YRBCYLWRKHCPBY-IBGZPJMESA-N 366.509 2.920 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)n1 95516668 SANAQVRFZPROMW-QGZVFWFLSA-N 366.421 2.755 0 50 FFAA CC(C)c1nc(CN(C)c2cc(C(=O)N3CCOCC3)ccn2)cs1 96132191 IXUHGMIVBHVKAH-UHFFFAOYSA-N 360.483 2.770 0 50 FFAA O=C1CC2(CCN(Cc3cncnc3)CC2)CN1Cc1cc(F)cc(F)c1 91434191 WFFAJZKYTZPHSO-UHFFFAOYSA-N 372.419 2.770 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)Cn2cnc3ccccc3c2=O)no1 91441003 BJPQWSINDCPCHG-QGZVFWFLSA-N 366.421 2.872 0 50 FFAA CSCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)o1 91616444 QHBCTCQAZVUEFB-UONOGXRCSA-N 358.467 2.674 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(Cc1c(C)nn(C)c1C)C1CC1)C2 91907997 XLACZGCTEXZAJR-INIZCTEOSA-N 369.465 2.788 0 50 FFAA COc1ccc(C)cc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 95402549 JAACFICWLGDDCK-GASCZTMLSA-N 356.422 2.674 0 50 FFAA CCCOc1ccc(NC(=O)N2C[C@H](N(C)C)C[C@H]2CO)cc1Cl 95531793 UPDBQJXQARXPHJ-KGLIPLIRSA-N 355.866 2.658 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc3sc(C)nc3c2)on1 96180757 HCNYGGGBJNKGKO-CJNGLKHVSA-N 357.435 2.889 0 50 FFAA CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1Cl)c1nnc2ccccn12 162789300 DDPHQPWQPVVAKM-JKSUJKDBSA-N 358.829 2.930 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)Cc3sc(C)nc3C)C[C@H]2N(C)C)cc1 95498271 JJZDOLGXHDTBPS-ZWKOTPCHSA-N 373.522 2.867 0 50 FFAA CC(C)CC(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91364619 YGBNBXYGKWNBFX-UHFFFAOYSA-N 356.474 2.610 0 50 FFAA CC(C)N1CCC2(CC[C@@H](CNC(=O)Cn3cc4ccccc4n3)O2)CC1 243885664 ABGNJQPUKOBGJH-SFHVURJKSA-N 370.497 2.575 0 50 FFAA O=C(c1ccco1)N1CCCN(C[C@@H]2CC(c3ccccc3)=NO2)CC1 244701287 KDIMPCVFPRGAJA-KRWDZBQOSA-N 353.422 2.621 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)C1 181725629 DKJJDYUHZIXODF-DOMZBBRYSA-N 371.403 2.947 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 299327654 BNIDNLXXOAFNAI-JQHSSLGASA-N 353.422 2.789 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252553263 VIUXCWHTSTVSEG-LLGFUMIMSA-N 370.449 2.787 0 50 FFAA C[C@H](NC(=O)N(CCO)Cc1nccn1C)c1ccc2c(c1)CCCC2 534631080 CCPPQVRKNUVFSJ-HNNXBMFYSA-N 356.470 2.564 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@H]3c3ccncc3)[nH]n2)o1 97713483 VOGBUYDJAKPFGN-LJQANCHMSA-N 374.404 2.884 0 50 FFAA Cc1c(Cl)cc(C(=O)N2CC[C@H]3NCCC[C@]3(CO)C2)cc1Cl 95368650 DWMJAJGACPBRGH-NVXWUHKLSA-N 357.281 2.878 0 50 FFAA CNC(=O)[C@H]1CC[C@@](C)(C(=O)N2CC(Oc3ccc(F)cc3)C2)C1(C)C 299769913 OVUQCZTZCUADLZ-UZLBHIALSA-N 362.445 2.604 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1 820621049 BOFPJNTURGATQN-INIZCTEOSA-N 362.539 2.923 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1cnn(-c2ccccc2)c1 827822479 WCURTGSUUYKUTR-UHFFFAOYSA-N 363.465 2.766 0 50 FFAA O=C(NS(=O)(=O)c1cccc(Cl)c1)c1csc([C@@H]2CCCO2)n1 165216892 IEAIYKCBQVQQJG-LBPRGKRZSA-N 372.855 2.767 0 50 FFAA O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N1CC[C@@H](c2cccc(O)c2)C1 1875285328 KBLNXGCRBABUAS-CXAGYDPISA-N 354.381 2.658 0 50 FFAA NC[C@H](C(=O)N[C@H](CCC(=O)O)Cc1ccccc1)c1ccccc1Cl 1875291233 RWVVKRCNSICFSO-WBVHZDCISA-N 374.868 2.975 0 50 FFAA Cc1cc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)c2c(C)nn(C)c2n1 952966740 WRCAOFPZZDXBLZ-NSHDSACASA-N 364.409 2.767 0 50 FFAA C[C@H](CCC(=O)Nc1cccc(NC(=O)CN(C)C)c1)N1CCCCC1 952966875 FOGLEJIWXTWIII-MRXNPFEDSA-N 360.502 2.780 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)COc1ccc(Cl)cc1C 952962600 GCZPKSKAPPCVMI-HNNXBMFYSA-N 352.862 2.887 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccccc3O)CC2)nc(C2CCC2)n1 891793824 MACPZRZTFXKUNF-UHFFFAOYSA-N 352.438 2.721 0 50 FFAA O=C(c1ccccc1)N1CCC(C(=O)N2CCC(CCCO)CC2)CC1 272880357 XYZZPZHNSPGSBZ-UHFFFAOYSA-N 358.482 2.550 0 50 FFAA CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 273591672 HJIQSLQMAGRUHI-MRXNPFEDSA-N 368.462 2.782 0 50 FFAA CCc1noc(C2CCC(N[C@H]3CCCO[C@@H]3c3nccn3C)CC2)n1 275586645 PJDVMJYMRXSVDG-NDTCATRNSA-N 359.474 2.902 0 50 FFAA CCc1ccc(CN2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)s1 187878677 TZDZSFKGHKCJNY-UHFFFAOYSA-N 361.515 2.615 0 50 FFAA C[C@@H]1CCS(=O)(=O)CCN1Cc1cccc(C(=O)Nc2ccccc2)c1 192094700 CMECEHJOCSCUNG-MRXNPFEDSA-N 372.490 2.948 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C[C@@H]3CCCN3)C3CC3)n2)n1 194841835 WZMKXXQBQNDGGA-AWEZNQCLSA-N 373.888 2.894 0 50 FFAA Cc1ccc(-c2noc(CCNC3CCN(C(=O)C4CCC4)CC3)n2)cc1 1506407715 PUFKDKPJSRVZNA-UHFFFAOYSA-N 368.481 2.968 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(Cl)cc1OC)C2 213233754 CVZIQLLHXZSCHH-OCCSQVGLSA-N 350.846 2.822 0 50 FFAA COC(=O)c1ccccc1OC[C@H](O)Cn1cnc2cc(C)c(C)cc21 785920 JOHQZACENGYWCC-OAHLLOKOSA-N 354.406 2.880 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1cccn2nccc12 1772816204 INXFFHLRIBSUOW-UHFFFAOYSA-N 357.797 2.618 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)CCc2nnc(CCc3ccccc3)o2)C1 11841882 YNEUUMJPSTWYAI-SFHVURJKSA-N 370.497 2.730 0 50 FFAA O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(C(=O)c1cn[nH]c1)CC2 11966434 CHYPNYCHVVGNJZ-KRWDZBQOSA-N 356.470 2.659 0 50 FFAA O=C(Cn1ncc2ccccc21)N[C@H]1CCCN(CCc2ccccc2)C1 12458939 LYTQFZZCFSOLCV-FQEVSTJZSA-N 362.477 2.860 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccco1 12466623 WFIBTOBMUVSSKI-LBPRGKRZSA-N 352.312 2.829 0 50 FFAA Cc1cc(C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)n(C)n1 12577802 NRMDELFMWWXIEZ-UHFFFAOYSA-N 354.498 2.755 0 50 FFAA COC(=O)CCCC(=O)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12711756 TVALREARBFWVMP-QFIPXVFZSA-N 372.509 2.887 0 50 FFAA CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 14554282 PLFCGHZRNAYHKC-UHFFFAOYSA-N 367.449 2.725 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1 19790213 YUFNAPOBQSZXLL-UHFFFAOYSA-N 368.861 2.986 0 50 FFAA COc1cc(-c2nnc3sc(-c4ccccn4)nn23)cc(OC)c1OC 2437099 GLVBJAAGGLHYPW-UHFFFAOYSA-N 369.406 2.941 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857677992 HWKDBKOTTLGUGQ-UHFFFAOYSA-N 355.829 2.705 0 50 FFAA Cc1cccc(-c2ncc(CN3C[C@H](C(=O)O)C4(CCOCC4)C3)cn2)c1 1857692049 MKPVCZGMOVUTKJ-GOSISDBHSA-N 367.449 2.765 0 50 FFAA O=C(CCC(F)(F)F)N1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857711519 DUYPGIWXOVPVLU-CPUCHLNUSA-N 368.355 2.630 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C(=O)c3ccoc3)C[C@]23CC[C@H]1O3)C1CCCCC1 1857715775 HMVQTHHVKSWDQB-XKGFGPFHSA-N 372.465 2.596 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCc1nc2ncccc2o1 1857721870 JRVQOXKCJLMYLU-UHFFFAOYSA-N 366.406 2.629 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3)cc2c1 1875247533 JDPLCVKCZXGBTR-PMACEKPBSA-N 366.417 2.751 0 50 FFAA C[C@]1(O)CC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)OC[C@@H]1O 1704298541 JBVGMTUJJZZVJD-HOTGVXAUSA-N 360.281 2.860 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@H](COc2ccccc2F)C1 2100556155 FTKXZCDPLPNBMQ-AWEZNQCLSA-N 354.385 2.800 0 50 FFAA COc1cccc(-c2nc3c(c4cc(OC)c(OC)cc24)C(=O)NC3=O)c1 689997 ICBSEDPNQJJQAJ-UHFFFAOYSA-N 364.357 2.811 0 50 FFAA O=C(OCCCn1ccnc1)c1nnn(-c2cccc(F)c2)c1C1CC1 2325750031 TYDLBFWARBQRRL-UHFFFAOYSA-N 355.373 2.727 0 50 FFAA O=C(C[C@H]1OCCc2ccsc21)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 2325751211 UFSBBFOWPFWAMX-WBVHZDCISA-N 373.430 2.629 0 50 FFAA Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2[C@H]3CC[C@H]2CC(CC(F)F)C3)C1 884949021 VJXZDKIXYSFZMW-HEHGZKQESA-N 366.412 2.646 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)c(Br)c1 626763 WEBFFEVDYYZRSL-ZDUSSCGKSA-N 369.215 2.601 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356138217 IKAWMIGIDIXOGT-OAQYLSRUSA-N 364.449 2.836 0 50 FFAA Cc1nc(N2CCN(Cc3ccoc3)[C@@H](CCO)C2)c2ccsc2n1 108025387 KKZQFVFZFOZUFZ-HNNXBMFYSA-N 358.467 2.666 0 50 FFAA CC[C@H](CO)N(Cc1ccc(C)s1)C(=O)c1csc(CN(C)C)n1 55414447 BJVUXQZMEOZVPS-CYBMUJFWSA-N 367.540 2.988 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1ccsc1 247805969 ZJHZUPRUHSZQTK-OAGGEKHMSA-N 360.479 2.977 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(C)c(O)c(C)c3)C[C@@H]2CCO)o1 20777271 ZLEUAKQWCLLHQG-IBGZPJMESA-N 358.482 2.979 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(-c2cncnc2)nc1 67743457 RZKWIIQWNIJWGT-UHFFFAOYSA-N 350.426 2.679 0 50 FFAA O=C1N[C@](CCc2ccccc2)(C2CCNCC2)C(=O)N1C1CCCC1 67772458 ZOYMBTCGPIIZNK-OAQYLSRUSA-N 355.482 2.852 0 50 FFAA Cc1c(C(=O)N[C@@H](C)c2cn3ccsc3n2)cnn1-c1ccccn1 65406268 MQWGOLATPQDINA-NSHDSACASA-N 352.423 2.776 0 50 FFAA c1ccc(-c2ncn(Cc3nnn[nH]3)c2-c2ccc(-c3ccn[nH]3)o2)cc1 67675740 UGINKIMWASCMBI-UHFFFAOYSA-N 358.365 2.762 0 50 FFAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](CO)[C@@H]3C)C2)c1 331795594 LFFGTFDMHBBDOF-BZSNNMDCSA-N 373.497 2.858 0 50 FFAA CC(C)c1noc(-c2ccc(N3CCN(C4CCCC4)C(=O)C3)nc2)n1 20448740 SCYXQWOUTROCTJ-UHFFFAOYSA-N 355.442 2.846 0 50 FFAA CC(C)N1CCC(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)CC1 67675223 OVOHWOHBEVNELG-QGZVFWFLSA-N 369.513 2.613 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCCc2nccs2)n1C 328616824 CCJWVVMSQMCZCC-HNNXBMFYSA-N 360.483 2.528 0 50 FFAA O=C1OC2(CCN(C(=O)c3ccccn3)CC2)CN1CCc1ccccc1 77380313 NGGWQNAWIMISOQ-UHFFFAOYSA-N 365.433 2.751 0 50 FFAA CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC[C@H]1CCCO1 242339323 ZGWPPAPDCGDBNY-MOPGFXCFSA-N 359.514 2.938 0 50 FFAA Cc1cccc2nc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cn12 155497111 QFORYFYOQBPNIS-MRXNPFEDSA-N 363.465 2.993 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2c(C)nc3ncccn23)CC1 77486548 NAQHIGDVNMQCAE-UHFFFAOYSA-N 366.421 2.730 0 50 FFAA O=C(CSCCN1CCCC1)NCC1(c2ccccc2)CCOCC1 219537951 ZIBSSQSFQJCIRX-UHFFFAOYSA-N 362.539 2.680 0 50 FFAA Cn1nnc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc21 374956286 ZHPHDUYJCKVWFJ-UHFFFAOYSA-N 368.784 2.602 0 50 FFAA C[C@H](c1cccc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)c1)N(C)C 71759977 TYCYOXSVCQZOLP-CQSZACIVSA-N 370.478 2.809 0 50 FFAA CCOc1cc(CN(C)C(=O)c2c(C)cc(C)n(C)c2=O)ccc1OC 215762939 UDHUJEJFBISOMN-UHFFFAOYSA-N 358.438 2.682 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(C)[nH]1 77537085 FUFOVEDKXNOIFQ-UHFFFAOYSA-N 359.857 2.603 0 50 FFAA O=C(c1ccon1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72160988 CGWBYBFSKMSUPR-CGTJXYLNSA-N 359.376 2.655 0 50 FFAA Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)n1 71589449 COCFIIHWVPENRV-KRWDZBQOSA-N 357.429 2.562 0 50 FFAA O=C1NC[C@@H]2CN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)CCN12 287751842 LMBBHZWSVFSVSY-QGZVFWFLSA-N 359.445 2.555 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cccc(-c2ncc[nH]2)c1 82137822 SHVGHFKXSDBIOQ-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C12CCC2 160541489 OROIFRRWOUFPOM-GJZGRUSLSA-N 373.478 2.632 0 50 FFAA CCOc1ccc(CCCC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc1C 220224626 BJRPKSIMDVLDDT-HXUWFJFHSA-N 360.454 2.770 0 50 FFAA O=C(c1nc2cccnc2s1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 289913152 ZJLDIKMVKRVNTK-LJQANCHMSA-N 371.437 2.898 0 50 FFAA O=C1[C@H]2[C@@H](c3ccccc3)N3CCCN3[C@H]2C(=O)N1c1cccc(Cl)c1 138545879 DOKTZNJIEAKVSU-RCCFBDPRSA-N 367.836 2.876 0 50 FFAA Cc1ccc(C)c(OCCN(C)C(=O)Cn2nccc2[C@H]2CCCNC2)c1 426440214 CPSNDCPTIRNKHF-SFHVURJKSA-N 370.497 2.504 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@H](O)C2)c1 222617975 CQTIEVGSOGUYAB-GMBSWORKSA-N 351.406 2.814 0 50 FFAA C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc(N)n[nH]1 426509361 KLFHXQFSOXGIBK-CYBMUJFWSA-N 373.420 2.731 0 50 FFAA Cc1nc([C@H]2CCOC2)cc(N(C)Cc2cc(-c3cccnc3)no2)n1 426668499 WHWODPMHEWCICQ-HNNXBMFYSA-N 351.410 2.975 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 95372602 RFRLYQHXZCYAMV-GOSISDBHSA-N 360.433 2.601 0 50 FFAA CC(=O)N1CC[C@]2(O)CCN(Cc3ccccc3OC3CCCC3)C[C@@H]2C1 95380356 BEDMQPGLJVDJAF-DENIHFKCSA-N 372.509 2.813 0 50 FFAA Cc1ccccc1C(=O)N1C[C@H]2CN(C3CCCCC3)C[C@@]2(C(=O)O)C1 91593013 GJDLKCXZYGDBQL-IIBYNOLFSA-N 356.466 2.786 0 50 FFAA COc1cc(OC)cc(-c2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)c1 426595081 SJNUKUMVWVIBRD-QGZVFWFLSA-N 368.433 2.721 0 50 FFAA CCN(CC)Cc1cccc(NC(=O)N(C)CC2(CO)CCOCC2)c1 426690735 SGJOTQRVJSBYNE-UHFFFAOYSA-N 363.502 2.781 0 50 FFAA CCSc1ccccc1NC(=O)N1CCN(c2nccc(OC)n2)CC1 96130467 DUDUQCYTIFOKTB-UHFFFAOYSA-N 373.482 2.951 0 50 FFAA CCCn1ncc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c1C 95510327 QHBRMMOCHDXKGD-YLJYHZDGSA-N 355.438 2.664 0 50 FFAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)NCc1ccc(Cl)cc1 294184548 FNLPREYZKJCXDZ-BPUTZDHNSA-N 350.846 2.674 0 50 FFAA CN1CC[C@]2(CCC1=O)CN(Cc1ccc(Cl)c(F)c1)CCN2C 91350834 VWRAGNHKPJUGLL-GOSISDBHSA-N 353.869 2.608 0 50 FFAA NC(=O)C1(NC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCCC1 95387676 ZIDQWCJZCRBETK-UHFFFAOYSA-N 366.396 2.668 0 50 FFAA Cc1ccc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)s1 95380748 ONSDNAQPZGJBIF-UHFFFAOYSA-N 370.478 2.710 0 50 FFAA O=C(CCc1cccc(F)c1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91820222 XKTKLORJONYFIR-RTBURBONSA-N 362.489 2.701 0 50 FFAA CCC[C@H]1CN(Cc2cscn2)C[C@@H]1NC(=O)C1(COC)CCC1 91440600 FCWNTKBKWCQQBQ-HOCLYGCPSA-N 351.516 2.677 0 50 FFAA CC[C@@H](C)Oc1cc(CNC(=O)c2cccc3c2oc(=O)n3C)ccn1 180845469 RZOGYTGLUOWUTL-GFCCVEGCSA-N 355.394 2.634 0 50 FFAA COc1ccc(CCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1 92021055 MSVHDWLRDATGRO-UHFFFAOYSA-N 366.469 2.708 0 50 FFAA CC[C@@H](NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)c1nc(C)c(C)s1 92001665 BPEZBHQOZITNFD-CQSZACIVSA-N 372.450 2.697 0 50 FFAA COc1ccccc1CN1CCN(C(=O)c2cc(CC(C)C)nn2C)CC1 91645617 ISHVEZSSRCAVFH-UHFFFAOYSA-N 370.497 2.585 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CC(=O)OC23CCCC3)n1 97546610 PVHSHXRSYRPEOR-OAHLLOKOSA-N 374.485 2.532 0 50 FFAA CCCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 239274612 ALIZQELSMNFNPZ-LLDVTBCESA-N 365.788 2.719 0 50 FFAA Cc1nccc(N2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)n1 92021635 JIXPOAQEWISCDC-NRFANRHFSA-N 365.481 2.632 0 50 FFAA Cc1cccc(-c2noc(CN(C)Cc3noc([C@@H]4CCCO4)n3)n2)c1 244734437 NFJZBCBQGKRURW-AWEZNQCLSA-N 355.398 2.912 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299752729 VEMNUFPAMQLTQM-BNOWGMLFSA-N 374.466 2.710 0 50 FFAA CC(=O)N[C@H]1C[C@H](c2nnc(COc3c(F)ccc(F)c3Cl)n2C)C1 252527571 CWXLUYIYMPKRIZ-MGCOHNPYSA-N 370.787 2.708 0 50 FFAA COc1ccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 263618311 SEYGFKCNOKXHDA-LJQANCHMSA-N 366.396 2.730 0 50 FFAA C[C@@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C1CCN(C)CC1 534673734 VUTSMIXELODJLA-OAHLLOKOSA-N 352.548 2.552 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)N1CCN(c2ccccc2OC)CC1 299793913 HLRLEVCAPOSGLM-UHFFFAOYSA-N 357.458 2.654 0 50 FFAA COc1ccc(-c2csc3ncn([C@H]4CCNC4)c(=O)c23)cc1OC 670459832 SEAUIDXXEBRJQT-LBPRGKRZSA-N 357.435 2.677 0 50 FFAA CCc1ccc(CN2C[C@@H](C(=O)NCc3csc(C)n3)CC2=O)cc1 670451390 NLKFDDLVLXXNQQ-INIZCTEOSA-N 357.479 2.679 0 50 FFAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2c(C)oc3ccccc23)n[nH]1 952888867 OXXNJIGDLAWVLT-GDBMZVCRSA-N 354.410 2.812 0 50 FFAA COc1cccc(CN2C[C@H](OC)C[C@H]2COc2cccnc2)c1OC 952888363 XBXILNVAXYQWAY-FUHWJXTLSA-N 358.438 2.767 0 50 FFAA CCc1cncc(C(=O)N(C)CCN(C)C(=O)C[C@H](C)c2ccco2)c1 1875327600 BFXLQLBHHNACDJ-HNNXBMFYSA-N 357.454 2.961 0 50 FFAA CCc1csc(CCNC(=O)Nc2ccnn2-c2cc(C)ccn2)n1 1875301124 ARQXBZFNGMDYGA-UHFFFAOYSA-N 356.455 2.959 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1ccccc1-n1cccn1 952973662 DFAWVPPYJHOTNE-UHFFFAOYSA-N 360.377 2.714 0 50 FFAA Cc1cc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)nc(N)n1 952971313 SAVSELUTRULANU-UHFFFAOYSA-N 369.513 2.622 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1ccc(N(C)C)nc1 952988316 PYMOSAASTGRZOA-UHFFFAOYSA-N 353.382 2.767 0 50 FFAA Cc1ccc(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c(C)c1 1565528855 XGNZCVZUIPZSCG-UNMCSNQZSA-N 356.510 2.889 0 50 FFAA O=C(c1ccsc1)N1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 276472131 PXWVMYYEEPLWSX-KRWDZBQOSA-N 370.474 2.858 0 50 FFAA CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccnc(C)c2)C1 279101758 TWHHJYZCJLABRD-AWEZNQCLSA-N 357.376 2.653 0 50 FFAA Cc1nc(C)c(S(=O)(=O)NC(=O)c2ccccc2OC2CCC2)s1 170650484 PQLUBBYXAGOZHJ-UHFFFAOYSA-N 366.464 2.810 0 50 FFAA COCc1c(C(=O)N2C[C@H](C)Oc3ncccc32)cnn1-c1ccccc1 189068968 DSIMYELOGRTJMB-AWEZNQCLSA-N 364.405 2.841 0 50 FFAA Cc1c(C(=O)N(C)Cc2ccc(C(=O)O)cc2)cnn1C1CCOCC1 190917457 PPVNKSSQUNCOKZ-UHFFFAOYSA-N 357.410 2.513 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2ccn(CC(F)F)n2)cc1F 193916039 XPJCCINVXSHKTH-UHFFFAOYSA-N 363.343 2.711 0 50 FFAA CC[C@@H]1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1 194472793 YDRDNGQDIPCTRU-CYBMUJFWSA-N 366.531 2.890 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC(OC3CCCC3)CC2)c1 195324485 JWMLDMSGULDHGX-HNNXBMFYSA-N 373.497 2.797 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)n1)N1CCN(c2ccccc2)C(=O)C1 775744224 PDMHLTDTCNPRCH-UHFFFAOYSA-N 364.327 2.981 0 50 FFAA COc1ccc(C)cc1C(=O)N1C[C@H](c2ccccc2OC)[C@@H](C(=O)O)C1 219741761 IAOBKVKRAXNWTI-SJORKVTESA-N 369.417 2.953 0 50 FFAA COc1cccc(NC2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)c1 141580401 PHIDPBLOEXDDOR-UHFFFAOYSA-N 350.415 2.961 0 50 FFAA O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3cccc4[nH]ccc34)CC[C@@H]21 1775981132 PLNSTXAAMKAZTD-PXNSSMCTSA-N 353.466 2.627 0 50 FFAA CC(=O)c1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)cc1 5613543 GFSZTKZQLROKIY-UHFFFAOYSA-N 355.781 2.891 0 50 FFAA CCO[C@H](NC(=O)c1ccccc1)[C@H](NC(=O)c1ccccc1)OCC 13755380 SSESRMHURAXLED-BGYRXZFFSA-N 356.422 2.572 0 50 FFAA C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCN(c3ccccn3)CC2)CC(C)(C)C1 15724409 YVZCQTKERJQJPX-CEXWTWQISA-N 361.530 2.796 0 50 FFAA NC(=O)COc1cccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)c1 19143476 MCRQPDFDFXLFAH-AWEZNQCLSA-N 358.825 2.834 0 50 FFAA Cc1nc2ccccc2nc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 19227377 CRVYXDMABLEHEE-SFHVURJKSA-N 354.498 2.749 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1 19565300 GJGTXHXMEZOORD-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 19929925 ZDCCBZGWOMQIBV-LJQANCHMSA-N 363.417 2.641 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(F)cc2)cc1 971883 TXIMCXCOVZASJN-UHFFFAOYSA-N 362.426 2.608 0 50 FFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc2c(c1)OCO2 2890018 JDGVQOHDZACWIF-INIZCTEOSA-N 356.403 2.535 0 50 FFAA O=C(NCc1ccncc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 5898962 YNRFLVSPCGOZGJ-UHFFFAOYSA-N 357.841 2.904 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 223174362 VYDBZTMQIRMLDF-QOKNQOGYSA-N 371.506 2.850 0 50 FFAA CC[C@@H](C)[C@@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525745 XESGNVSDTAZXDO-DYVFJYSZSA-N 367.457 2.543 0 50 FFAA CCN=S1(=O)CCC2(CC1)CN(C(=O)CC1CCCCC1)CCO2 1857527993 QXMBTYZSLKTMFD-UHFFFAOYSA-N 356.532 2.836 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccn(C(F)F)n1)CC2 1857672736 ZMVLAHOACSZHDX-UHFFFAOYSA-N 371.391 2.920 0 50 FFAA CCOc1cc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c(Cl)cc1OC 1857694953 MNIRWOQDQFMGPM-JSGCOSHPSA-N 352.862 2.942 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N(CC)Cc2noc(C3CCC3)n2)C[C@H]1N 1857724007 HJHKFLZEIPWPDC-ARFHVFGLSA-N 364.490 2.608 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@]23CC[C@H]1O3 1857740190 CIOLREZTKVTRCJ-JRBPQWBISA-N 362.901 2.840 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3c(Cl)cncc3Cl)C[C@]23CC[C@H]1O3 1875245375 XFUPWUVGBWODMI-OUENDJJVSA-N 356.297 2.929 0 50 FFAA Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N[C@@H]1CCN(C)C1=O 120223496 OQQMASNQNIGBEE-GFCCVEGCSA-N 368.220 2.917 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)o1)[C@@H]1CCN(c2ccccc2Cl)C1=O 237279774 ODXHDAPMVXWBTI-GFCCVEGCSA-N 362.769 2.509 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C1CCOCC1 238102689 LPGSFIMUFIMLKY-NWDGAFQWSA-N 355.793 2.675 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC(O)(Cc2ccccc2F)CC1 365914288 AFOXBJXKYNDYGO-UHFFFAOYSA-N 359.445 2.694 0 50 FFAA NC(=O)c1cccc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)c1 261937901 MNKPYFJMOLTJCX-GOSISDBHSA-N 355.507 2.991 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(F)c1 1565511448 DXDDZBVBQLOEAI-OALUTQOASA-N 359.397 2.938 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)cc1C 1097636 NURDBZOKHXICBQ-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA CN(C)c1cc(C(=O)N2CCO[C@H](c3ccccn3)C2)c2ccccc2n1 2100543369 QXFWEIROMAUHBA-IBGZPJMESA-N 362.433 2.910 0 50 FFAA Cc1c(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc[nH]c1=N 2325764440 BUNVOEIZBDNLCO-UHFFFAOYSA-N 360.465 2.582 0 50 FFAA O=C(Cc1cc2ccccc2o1)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 2325785823 OUAYCANMHJPLDZ-CSMYWGQOSA-N 373.840 2.781 0 50 FFAA Cc1nc2c([nH]1)[C@H](C(=O)Nc1ccc3c(c1)cc(C)c(=O)n3C)CCC2 2325806354 JWTLKBGZJPPFJV-OAHLLOKOSA-N 350.422 2.937 0 50 FFAA Cc1cc(OCc2ccccc2)c(C(=O)NCCN=c2cccn[nH]2)s1 2325825437 PXVQQRXHNMIKMZ-UHFFFAOYSA-N 368.462 2.689 0 50 FFAA CNS(=O)(=O)c1cccc2c1CCN(Cc1ccc3ccncc3c1)C2 2325859269 SZYAZSBVRULIJS-UHFFFAOYSA-N 367.474 2.701 0 50 FFAA CC(C)c1cc(=NC(=O)c2ccc(-c3nc[nH]n3)nc2)[nH]n1C(C)(C)C 2325873822 UWJLUKLAGOARNF-UHFFFAOYSA-N 353.430 2.616 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3cnc(Cl)cc3Cl)CC2)C1 2325890954 HLOGAEMJDOFIAI-UHFFFAOYSA-N 365.282 2.968 0 50 FFAA CC(C)(C)OC(=O)N1CCn2ncc(-c3cc4c(s3)C(=O)NC4)c2C1 2325891083 PTGXHFDASAEHFW-UHFFFAOYSA-N 360.439 2.606 0 50 FFAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(CCc3ccccc3O)n21 2356144302 QNFJEEWARDRTGK-HNNXBMFYSA-N 362.433 2.872 0 50 FFAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CCC4(CCCCO4)CC3)cn12 2356157678 QNRJMMADPOURTB-QGZVFWFLSA-N 372.469 2.594 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356163697 NXGVBTNAGHNBPQ-NRFANRHFSA-N 356.466 2.774 0 50 FFAA CCCCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C 4094940 ZKCXLESZWDQPLS-UHFFFAOYSA-N 362.817 2.680 0 50 FFAA biogenic O=C(Nc1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4867695 IEMCTVJKVVFAOU-CQSZACIVSA-N 350.465 2.969 0 50 FFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 4988730 AZLBRTRMNIZCNH-BLGFXRMMSA-N 362.477 2.995 0 50 FFAA O=C(NC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680474 ZRGODTLRDAQQCF-UHFFFAOYSA-N 356.513 2.985 0 50 FFAA Cn1c(CCNC(=O)c2csc([C@H]3CCCO3)n2)nc2ccccc21 133600701 XQWCJNFYSOXDMF-OAHLLOKOSA-N 356.451 2.854 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225490711 KRWDLVATXKCOOP-DOMZBBRYSA-N 352.312 2.754 0 50 FFAA CN1CCN(c2nc(O)cc(CSc3ccc(Cl)cc3)n2)CC1 9088141 FOXDPCFYVUYRBC-UHFFFAOYSA-N 350.875 2.880 0 50 FFAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3cccnc3)C2)CC1 20999664 SYGJKURXQUNLAS-FQEVSTJZSA-N 366.509 2.877 0 50 FFAA C[C@H](CCC(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCCCC1 55341868 UZAJEDGOGBYITP-GOSISDBHSA-N 357.498 2.626 0 50 FFAA Cc1cc(NC(=O)c2cccc(CN(C)Cc3snnc3C)c2)n(C)n1 67818184 DZDZCAAJYWCBGX-UHFFFAOYSA-N 370.482 2.773 0 50 FFAA CC(C)Oc1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc(N)n1 67679059 CYNLSZFSUXMVML-UHFFFAOYSA-N 368.416 2.750 0 50 FFAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 249860195 QDQZNPUOHFUUHI-WVWOOGAGSA-N 354.372 2.921 0 50 FFAA Cc1ccc(NC2(C(=O)N3CCN(CCC(=O)O)CC3)CCCCC2)cc1 1506429534 UDNKNPXPAFDSFB-UHFFFAOYSA-N 373.497 2.729 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1N1CCNC1=O 65382653 YCQFUKHLXJZFIE-KRWDZBQOSA-N 350.422 2.897 0 50 FFAA CCCn1ncc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 1506414726 RJLOWOGZNZNGCX-AWEZNQCLSA-N 356.426 2.602 0 50 FFAA COCCCN(C(=O)CCN1CCCCCCC1)C1CCN(C)CC1 63871625 TZKAPAKHHJCZLI-UHFFFAOYSA-N 353.551 2.602 0 50 FFAA O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(c2nnc[nH]2)CC1 120960899 YIFVQBZGBULXIW-CYBMUJFWSA-N 355.225 2.551 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)[nH]1 67433795 XABLCURGGPRUJE-YJBOKZPZSA-N 357.429 2.596 0 50 FFAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)cn1 328645634 SEHYZLJNHWJFDF-SJLPKXTDSA-N 360.502 2.900 0 50 FFAA Clc1snnc1CN(Cc1nccs1)[C@@H]1CC12CCNCC2 328604171 IRHJERRWEBFTNB-LLVKDONJSA-N 355.920 2.792 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 215089562 OFHRYNMZWRKWJG-MRXNPFEDSA-N 353.422 2.854 0 50 FFAA Cc1cccnc1N1CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 77456417 CWBDJUBGGQKIRE-UHFFFAOYSA-N 367.428 2.687 0 50 FFAA CC(C)c1nc(N(C)Cc2nc(-c3ccncc3)no2)c2cnn(C)c2n1 72156518 DQZXRWIZCOPNHO-UHFFFAOYSA-N 364.413 2.568 0 50 FFAA COc1cccc(CN(C)C(=O)CN2CCC(c3ccccn3)CC2)c1 363450806 UPGBLJXICOMOAJ-UHFFFAOYSA-N 353.466 2.928 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CC[C@](O)(c3ccccc3)C2)cc1 218848068 SLLVIDJETKKQSC-OAQYLSRUSA-N 353.418 2.778 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H](O)c3cccc(Cl)c3)CC2)ccn1 77452633 WLJJJOBLBKQIBZ-GOSISDBHSA-N 359.857 2.816 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCC(c2cc(=O)nc[nH]2)CC1)c1ccccc1F 215062643 WWAWSPVTXCBTPY-NRFANRHFSA-N 369.440 2.983 0 50 FFAA Cc1csc(CNC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 333211142 UAJQGYLXDUAOQS-SJORKVTESA-N 351.516 2.624 0 50 FFAA CCOc1cnc(-c2noc([C@@H]3Cc4ccccc4CN3C(C)=O)n2)cn1 377462421 ZZLKHTYJZBSTDT-INIZCTEOSA-N 365.393 2.571 0 50 FFAA COc1ccc(OC)c(CCNC(=O)CCc2ccccc2C(=O)O)c1 262085239 FTLBHOIAQHKYRI-UHFFFAOYSA-N 357.406 2.694 0 50 FFAA CCc1ccc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cc1 71613851 ICZSYYVTDWVGRN-UHFFFAOYSA-N 350.466 2.988 0 50 FFAA Cc1ccccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72447904 APMVEEYZSBINJX-SFHVURJKSA-N 356.466 2.673 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1 216386146 ZSCZMGMLYDTIJV-LJQANCHMSA-N 369.444 2.691 0 50 FFAA O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cnc2c(F)cccc2c1O 218469289 DXNSXKHXDSTPQJ-UHFFFAOYSA-N 350.309 2.568 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC(Oc3ccccc3C)CC2)c(=O)[nH]c1C 77485677 RVGBIOTZQKCCHR-UHFFFAOYSA-N 368.433 2.878 0 50 FFAA CC[C@H]1CN(C(=O)c2ncoc2-c2ccc(C)cc2)CCN1CCOC 173807553 DZIKDSADMRPIIW-KRWDZBQOSA-N 357.454 2.833 0 50 FFAA Cc1cc(NC(=O)Cn2nnc(-c3ccccc3)n2)n(Cc2ccccc2)n1 44048371 DQUTZCACBCAFJJ-UHFFFAOYSA-N 373.420 2.532 0 50 FFAA CC(C)[C@H]1CN(CCn2cccn2)CCC(=O)N1Cc1ccc(F)cc1 71738719 MIJLFUMHZFXYCX-LJQANCHMSA-N 358.461 2.781 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2coc3c2C(=O)CCC3)CCC(=O)N1CC1CC1 71750374 MSORYMANPRSGCF-MRXNPFEDSA-N 372.465 2.908 0 50 FFAA Cn1c(NC(=O)C(C)(C)S(=O)(=O)C2CC2)nc2cccc(Cl)c21 284514383 BDBOGMDVZXJCAM-UHFFFAOYSA-N 355.847 2.521 0 50 FFAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1ccc2ncsc2c1 223501955 UKVLDMHHKWLBMA-BVPBIZIASA-N 357.479 2.668 0 50 FFAA Cc1cc(S[C@H](C)C(=O)NCc2nnc3n2CCC3)nc2ccccc12 223488035 IRSVEEWVACNNHN-CYBMUJFWSA-N 367.478 2.878 0 50 FFAA Cc1cc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c2cccc(C)c2n1 82116068 IIWYIZAJSRQLSY-UHFFFAOYSA-N 365.437 2.501 0 50 FFAA O=C(Nc1ccc(F)cc1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 220563686 KZISUFQQFHJLCI-VJUNAUMWSA-N 351.397 2.728 0 50 FFAA Cc1nnc(SCC(=O)N2CCCC[C@@H]2CCn2ccnc2)s1 223447625 AXPVPFCCSLAJNA-CYBMUJFWSA-N 351.501 2.607 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17076677 WMJCNKBIEZGBFB-IZBXYKSJSA-N 374.525 2.990 0 50 FFAA Cc1cc(C(=O)NCCCOC2CCN(C)CC2)c2ccc(F)cc2n1 82156835 RDLGEFQCERRHQV-UHFFFAOYSA-N 359.445 2.913 0 50 FFAA Cc1cn2cc(C(=O)N[C@@H]3CCN(C)C[C@@H]3Cc3ccccc3)ccc2n1 82116223 FZOIPELOXHBPDT-VQTJNVASSA-N 362.477 2.936 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 426410512 MMAMSFMOXXAOPC-RBUKOAKNSA-N 361.534 2.852 0 50 FFAA COc1ccc(-c2ccc(C(=O)NC[C@@H]3CN(C)CCO3)cc2)cc1F 426361957 OKPGSOZTPUDRRQ-QGZVFWFLSA-N 358.413 2.562 0 50 FFAA Cc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)s1 223156297 RWWOBPUJXQIMNF-UHFFFAOYSA-N 357.479 2.663 0 50 FFAA CCc1nccn1CCC(=O)N[C@H](C)c1cnn(-c2ccccc2OC)c1 223502332 PNCQSQSPCUBLOZ-OAHLLOKOSA-N 367.453 2.907 0 50 FFAA O=C(c1onc2c1CCCC2)N1CCN(c2cccc(Cl)c2)C(=O)C1 426496643 FXEOEGDZYLIRIG-UHFFFAOYSA-N 359.813 2.696 0 50 FFAA O=C(CN1CCCCCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91893567 NOLUHRNOUQISHT-NRFANRHFSA-N 361.530 2.504 0 50 FFAA COc1ccc([C@@H]2CN(c3ccc(C)nn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95359243 JIIRPNRMHOARHD-CEWLAPEOSA-N 350.466 2.860 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)CN1CCC(c2ccccc2)CC1 95370033 DPCOYVFCFKCKNZ-UHFFFAOYSA-N 354.498 2.907 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 97076824 INIDDUHLEXEEQN-KRWDZBQOSA-N 353.470 2.948 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1C 91526536 LHUOEBUZQLSOFI-UHFFFAOYSA-N 358.482 2.531 0 50 FFAA Cc1ncsc1CCN(C)C(=O)Nc1ccccc1CN1CCOCC1 95501260 ZVCPMUPXOFEUPC-UHFFFAOYSA-N 374.510 2.990 0 50 FFAA CNc1ncc(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 91746829 XZSUNAGMGIFVBP-HXUWFJFHSA-N 368.437 2.732 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)c2cn3ccsc3n2)o1 91325242 GSWWXXGHVICYQT-UHFFFAOYSA-N 364.496 2.714 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCO[C@H](CN2CCCCC2)C1 91256012 JODAKXMCFCZYNI-LJQANCHMSA-N 368.481 2.794 0 50 FFAA Cc1ccc2[nH]c(=O)cc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c2c1 97173347 PRFKVDMXLUKOER-UHFFFAOYSA-N 364.449 2.992 0 50 FFAA Cc1nc(N2CCCCC2)ncc1C(=O)N(C)Cc1noc(C(C)C)n1 91665139 DSZSAUQTKDNMKV-UHFFFAOYSA-N 358.446 2.554 0 50 FFAA O=C(O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 242495110 FUYUZJNCIHVLAK-UHFFFAOYSA-N 368.208 2.709 0 50 FFAA C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@]2(C1)OCc1ccccc12 185073351 AXUMHYCHQJFESI-ORAYPTAESA-N 356.447 2.524 0 50 FFAA CCc1nccn1CCNC(=O)c1cccc(-c2cccc([C@H](C)O)n2)c1 534588206 JUKQPIKNKKSRIU-HNNXBMFYSA-N 364.449 2.991 0 50 FFAA Cc1ccc(C)n1CCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 263587303 FIBNLXDFFUPPGP-KRWDZBQOSA-N 351.454 2.944 0 50 FFAA CN(Cc1cnccn1)C(=O)NCC1CCN(CCc2ccccc2)CC1 369471376 YSPWHDSLACWXDE-UHFFFAOYSA-N 367.497 2.573 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1 299800209 UHNTVRZHCUQKOP-CMKODMSKSA-N 355.438 2.671 0 50 FFAA CCc1nn(C)c(NC(=O)N2CCN(Cc3cccc(OC)c3)CC2)c1C 299793892 IJTFOYMKFAEMKA-UHFFFAOYSA-N 371.485 2.649 0 50 FFAA O=C(O)[C@H]1C[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 268921635 SUXJCUQIGAYGPQ-KBPBESRZSA-N 371.355 2.591 0 50 FFAA C[C@H](O)c1ncc(CN2CCc3nnc(-c4ccncc4)cc3C2)s1 952894092 LTJPWWWDKCBFBZ-LBPRGKRZSA-N 353.451 2.607 0 50 FFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)C/C=C/c3ccc(F)cc3)C2)n1 952886246 JYNLBBACQAOOQQ-BOUVFEJYSA-N 359.401 2.591 0 50 FFAA COc1ccc(C(=O)N2CC[C@](F)(CO)C2)c(OC2CCCCC2)c1 952845169 DVUBXTXRFIJFLW-LJQANCHMSA-N 351.418 2.953 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1)[C@H](C)n1cncn1 1875294890 XZLZOCGAYWJQAM-MELADBBJSA-N 361.421 2.662 0 50 FFAA C[C@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C1CCC(C)(O)CC1 1875263553 CSQXYTGUFVYJFX-QUTZXPLZSA-N 358.482 2.765 0 50 FFAA Cn1nc(O)cc1C(=O)N1CC[C@](F)(c2ccc(C(F)(F)F)cc2)C1 1875293873 GGQRUOCWURQHCA-OAHLLOKOSA-N 357.307 2.855 0 50 FFAA CCc1ccc([C@@H]2CN(C(=O)Cc3ccc4nn[nH]c4c3)CCO2)cc1 1875349711 JQHDFJMWALHJCY-IBGZPJMESA-N 350.422 2.663 0 50 FFAA C[C@@H]1[C@H](N=c2nc(C3CC3)[nH]s2)CCCN1C(=O)CCc1ccoc1 1875303232 GBGSAKDIWIIUHJ-IUODEOHRSA-N 360.483 2.855 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1 1875373554 FQVBHNRGUIBABR-QGZVFWFLSA-N 352.390 2.904 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)c2cc3cc(F)ccc3n2C)c1 952869971 RMSGIBWTSNFHII-UHFFFAOYSA-N 350.357 2.854 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 952988502 MICQIPCVHFKRIY-LJQANCHMSA-N 373.497 2.654 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)c1cc(=O)c(OC)c[nH]1)c1nc2ccccc2[nH]1 888089203 OCBKUWHXMXUWPG-APPDUMDISA-N 354.410 2.777 0 50 FFAA O=C(N[C@H]1CCNC[C@@H]1O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 1565530462 NOPWQSQOOIULCC-IRXDYDNUSA-N 364.367 2.825 0 50 FFAA Cc1nc(C(F)(F)F)c(CN2C(=O)C[C@@]3(CCSC3)C2=O)s1 408213751 DCGDITRSCRHHOA-GFCCVEGCSA-N 350.387 2.853 0 50 FFAA CC(C)(C)c1ccc(C(=O)NCCCN2C(=O)NC3(CCC3)C2=O)cc1 170595164 WHYJZRUAEZZZOW-UHFFFAOYSA-N 357.454 2.579 0 50 FFAA CCC[C@H](NC(=O)c1c(C)ccn1C)C(=O)N1CCc2sccc2C1 189626065 ZEZUVXZPUOEOEJ-HNNXBMFYSA-N 359.495 2.878 0 50 FFAA CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC1(O)CCOCC1 189754808 KVABYYVYBSDDQI-UHFFFAOYSA-N 371.359 2.729 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1=O 1506425515 FYFHLYKOVIMIMO-CQSZACIVSA-N 363.889 2.881 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCc2cccs2)C[C@@H]1c1ccc2c(c1)OCO2 220161620 QITKHRJEGNBRCL-CABCVRRESA-N 373.430 2.736 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CCc3c(C)noc3C)C1)CC2 1704331121 OPTVGYZPDDLGJG-FQEVSTJZSA-N 354.454 2.829 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1cccc(Cn2cccn2)c1 1704325317 LTIVJTVLLFHJKK-UHFFFAOYSA-N 352.486 2.527 0 50 FFAA COCCN1CCC(CN(CCCSC)Cc2ccncc2)CC1 12075006 RVNIUXXYTIEDRL-UHFFFAOYSA-N 351.560 2.995 0 50 FFAA CC(C)C1=NO[C@H](C(=O)NCc2cccnc2-n2cnc3ccccc32)C1 12197177 ZFPLPYCYXQHPMU-SFHVURJKSA-N 363.421 2.838 0 50 FFAA O=C(/C=C/c1c[nH]cn1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12298706 ZZNOMFZSBSVWLM-VQKOGROQSA-N 364.493 2.980 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCO[C@@H](Cc2ccccc2)C1 12386946 QFXVZBIQEYYZGN-NRFANRHFSA-N 368.477 2.962 0 50 FFAA O=C(NCc1ccccc1)c1coc(COc2ccc3c(c2)OCO3)n1 12706194 XSTQENIHYUBMGJ-UHFFFAOYSA-N 352.346 2.912 0 50 FFAA CC[C@@H](C(=O)Nc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712259 RTTOVIOXAHHAQZ-HNNXBMFYSA-N 367.858 2.918 0 50 FFAA O=C1CN([C@@H]2CCSC2)C[C@@H](OCC2CC2)CN1Cc1ccccc1 14741629 YJTYWVRKBFOTQU-RTBURBONSA-N 360.523 2.632 0 50 FFAA CCCCN(C)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1 14750580 BIPKZQZUWIWIAA-QGZVFWFLSA-N 369.513 2.817 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H]1CCCN(CCc2ccccc2)C1 14954681 CAYAAKWRSIFZFR-FQEVSTJZSA-N 371.525 2.602 0 50 FFAA COc1ccc(OCc2nc(C(=O)N[C@@H]3CCOC(C)(C)C3)co2)cc1 14972828 UAYFWNMUENQKDZ-CYBMUJFWSA-N 360.410 2.950 0 50 FFAA CCC(CC)CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 14987998 PBSVECRHNHBJNJ-UHFFFAOYSA-N 373.501 2.712 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN=C1c1ccccc1 19909329 XMXZPQISXMEVBZ-UHFFFAOYSA-N 350.827 2.800 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC[C@H]1O 1857717778 XUXSXCLNIGOBET-QUCCMNQESA-N 362.445 2.530 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(CC4CCC4)C[C@]34CC[C@H]2O4)c(C)o1 1857728848 OPIHSBTXRWBAJL-QEUVDIPISA-N 358.482 2.906 0 50 FFAA Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(N2CCCCC2=O)CC1 120503389 ASJFYNOKVRVRPQ-HNNXBMFYSA-N 361.461 2.938 0 50 FFAA Cc1nccn1CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 333722111 IIXMTCCTOXXNGK-WBVHZDCISA-N 350.825 2.546 0 50 FFAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 261720684 LNRJJQANVXKOFL-HNNXBMFYSA-N 371.828 2.515 0 50 FFAA COCC[S@@](=O)Cc1cccc(NC(=O)c2c(Cl)n[nH]c2C)c1 900742105 ONHFIJVDEZLVNM-HSZRJFAPSA-N 355.847 2.519 0 50 FFAA Cc1cnc2c(C(=O)N3Cc4ccccc4C[C@H]3c3nnc(C)o3)cnn2c1 900775057 YWNWQRXYPMOGHR-KRWDZBQOSA-N 374.404 2.669 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)c1 2325888916 MPWLYXMPUHWZPQ-UHFFFAOYSA-N 364.327 2.752 0 50 FFAA O=C1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[C@@H]2CCCC[C@@H]2N1 894375037 IZSXGTZCIALAOI-DEEHTKSCSA-N 358.404 2.872 0 50 FFAA Nc1nnc(S[C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)s1 779997 LXOLOTHZSBNZFS-GFCCVEGCSA-N 356.432 2.698 0 50 FFAA CCOc1ccc(CC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1 2356138198 HVCHEBZWYVBUHL-OAQYLSRUSA-N 356.466 2.774 0 50 FFAA O=C(c1cncc(O)c1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356139943 NGVFDSFMPHFXHQ-OAQYLSRUSA-N 365.433 2.585 0 50 FFAA O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2nccc3ncccc23)cc1 2356151291 BTCHUUMOHYFITK-GOSISDBHSA-N 360.417 2.695 0 50 FFAA CC(C)(C)OC(=O)NCC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 3193108 MJYMGDQLUGRNHQ-UHFFFAOYSA-N 359.378 2.712 0 50 FFAA biogenic O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 100616164 QHXIPLQUZOVGSQ-FCIDVOKBSA-N 366.339 2.675 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)cc1 65365286 GPCQOQIBNXYBSI-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA CN(CC1(C)COC1)C(=O)c1coc(COc2cccc3cnccc23)n1 67867730 APGNHFRAAGFQLA-UHFFFAOYSA-N 367.405 2.910 0 50 FFAA C[C@@H](CC(F)(F)F)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65456549 HIWXZDLMHWRXAQ-LBPRGKRZSA-N 350.406 2.770 0 50 FFAA O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCN2CCCC[C@H]2C1 119566381 DKDRUCXIRBSUTA-KRWDZBQOSA-N 357.433 2.773 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC[C@H](c2ccccc2)C1 67878414 RQTAZFFWCOJOPE-KRWDZBQOSA-N 369.465 2.651 0 50 FFAA O=C([C@H]1COc2ccccc21)N1CCN(c2ncnc3ccsc23)CC1 126727874 HTUGIKSWUUQHQD-AWEZNQCLSA-N 366.446 2.516 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@@H](O)c2ccc(F)cc2)n1C 328628673 HMDBBZSMDIKIHG-PKOBYXMFSA-N 359.445 2.784 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2cnc(C3CC3)s2)n1 328656528 ZJWCYQRALSVQOB-ZDUSSCGKSA-N 359.455 2.633 0 50 FFAA COCC1(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CCC1 71639527 PDDXUPDHVJZRCO-VAMGGRTRSA-N 354.494 2.892 0 50 FFAA COc1cc(CN2CCC[C@H](C(=O)c3nccn3C)C2)cc(Cl)c1O 77536106 RPPIBOABHFNUJQ-ZDUSSCGKSA-N 363.845 2.883 0 50 FFAA COc1ccc(CN2CCN(c3ccccc3)C[C@@H]2C)cc1OCC(=O)O 215622856 ZUDITFGBKSNXGA-INIZCTEOSA-N 370.449 2.869 0 50 FFAA COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1O 12702188 WWBPHLDXFFXJET-OAHLLOKOSA-N 360.841 2.945 0 50 FFAA C[C@@H]1CCCCN1C1CN(c2ccnc(C(=O)NCc3ccco3)c2)C1 71755202 QXXOVEGLTLYGTD-OAHLLOKOSA-N 354.454 2.668 0 50 FFAA C[C@@H](CCc1ccccc1F)C(=O)N(CCC(=O)O)C1CCOCC1 237348231 VYLVMIPSDYNUHG-AWEZNQCLSA-N 351.418 2.877 0 50 FFAA C[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1nnc2n1CCCC2 153405021 LCOPNRLOYNOPNH-ZDUSSCGKSA-N 366.425 2.830 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cs1 368162341 JBPVYSXNPPTMFI-GOSISDBHSA-N 357.435 2.711 0 50 FFAA Cc1cccc(N2CCN(C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)c1C 79457313 JRVFKQYAMFHGNF-GOSISDBHSA-N 356.514 2.619 0 50 FFAA Cn1nnc2c(C(=O)N3CCCCC[C@H]3[C@H]3CCCCC3=O)ccnc21 283253833 QMNITOKUXXBARE-HIFRSBDPSA-N 355.442 2.507 0 50 FFAA CC1CCN(c2ccc(CNC(=O)N3CCC4(CCO4)CC3)cn2)CC1 374413208 BEAQDKMXXZNFSY-UHFFFAOYSA-N 358.486 2.782 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NC[C@@H]3CCS(=O)(=O)C3)n2n1 72474358 FUOGAPILAUYXLW-AWEZNQCLSA-N 356.451 2.551 0 50 FFAA Cc1cc(F)c2nc(O)cc(C(=O)Nc3ccc4c(c3)C(=O)NC4)c2c1 495882569 GVGRGEDCRORHLY-UHFFFAOYSA-N 351.337 2.884 0 50 FFAA COc1cccc(C(=O)NCC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 173394637 ZDJMIIGAOQCOJR-QGZVFWFLSA-N 352.434 2.516 0 50 FFAA Cc1ncsc1CCN(C)C(=O)Nc1nc(Cc2ccccc2)n[nH]1 48101558 MZLNPWPAXYFIFD-UHFFFAOYSA-N 356.455 2.867 0 50 FFAA C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc[nH]n1 286105524 MVVQOOQOXKXXNX-JTQLQIEISA-N 353.348 2.915 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)NCc1nc2c(s1)CCCC2 222329466 DKQUGQKQDORPGQ-UHFFFAOYSA-N 367.474 2.962 0 50 FFAA CN(Cc1ccco1)C(=O)CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286487459 ZEGIMLLQISSVEX-JKSUJKDBSA-N 374.441 2.700 0 50 FFAA COC[C@H](NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccc(C)o1 175699860 KQDZIZMHCAHIBB-KRWDZBQOSA-N 359.426 2.513 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)c(F)c1 49551256 LOJSLYVFDLVRLH-UHFFFAOYSA-N 371.343 2.836 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H](OCc3ccccn3)C2)s1 220382999 ZHHCXZXYQZEYHB-CQSZACIVSA-N 364.496 2.541 0 50 FFAA Cc1scc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)c1-c1ccccc1 82170872 VEUFAPPKJVFKMM-LJQANCHMSA-N 354.431 2.602 0 50 FFAA CC[C@@H](NC(=O)N1CCN(c2ccc3nccn3n2)CC1)c1cccs1 426414820 VICUCGSOTTZCGV-CQSZACIVSA-N 370.482 2.774 0 50 FFAA O=C(c1nccnc1C(=O)N1CC[C@H]1c1cccs1)N1CCCCC1 97088306 XNOWDJWKBMPXAB-ZDUSSCGKSA-N 356.451 2.751 0 50 FFAA COCCN(Cc1ccccn1)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1 426589797 PQDUZKMGVBGCCA-UHFFFAOYSA-N 367.453 2.933 0 50 FFAA CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)nc1 91444774 XHXOZTPVRSHBIT-YLJYHZDGSA-N 350.466 2.776 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCC(c2ccccc2)CC1 426381410 GYLJEILLTXBWLJ-LJQANCHMSA-N 352.482 2.756 0 50 FFAA COC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 95529314 RNJSFBPLLYPOJK-LJQANCHMSA-N 373.497 2.636 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)c1cnc(-c2ccncc2)nc1 95352725 ZPTYGJPYNCWIIV-UHFFFAOYSA-N 370.416 2.713 0 50 FFAA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@H]4CCCO4)s3)ccc21 91745898 XYUMKAMOGTUCBY-OAHLLOKOSA-N 371.462 2.720 0 50 FFAA COc1ccccc1-c1cc(C(=O)NCC2(Cn3ccnc3C)CC2)n[nH]1 97636571 CUUAPRBVBJOTGR-UHFFFAOYSA-N 365.437 2.800 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)NCC[C@H](C)N3CCN(C)CC3)c(C)c2c1 91650163 ZWKURDLHDBYCGZ-INIZCTEOSA-N 356.514 2.849 0 50 FFAA Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccnc1 239722558 CDJLMSARZYDHIL-INIZCTEOSA-N 357.458 2.609 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2ccccc2CN2CCOCC2)C1 96138960 GLOHPFWGLQVXRR-KRWDZBQOSA-N 372.513 2.609 0 50 FFAA O=C(c1ccc(Cl)cc1F)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91325307 HEIVERSCXCEYIR-ZIAGYGMSSA-N 354.853 2.646 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)c1 96153893 CPKUBGCPZVARMI-KRWDZBQOSA-N 374.462 2.547 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cnn(Cc2ccccc2)c1 97347084 VIGYHXNALUMQTG-UHFFFAOYSA-N 367.478 2.918 0 50 FFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 97360159 IBMZHJHOQYXWOB-OAHLLOKOSA-N 366.414 2.824 0 50 FFAA CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O 244787591 PZXWZCRCBXEUJH-OTRWWLKZSA-N 350.484 2.536 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)N1CCCN(C)C2(CCNCC2)C1 299800061 ZLSXMEDRHWXUMF-UHFFFAOYSA-N 350.894 2.940 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)NCc1ccc(CN2CCCC2)cc1 299768305 SXNPDZGSEKFLNF-HXUWFJFHSA-N 368.477 2.647 0 50 FFAA Cc1noc2nc3c(c(C(=O)N[C@H](C)c4nncn4C(C)C)c12)CCC3 299780165 RWVHPQAMTCBGPJ-LLVKDONJSA-N 354.414 2.683 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(OC(F)F)cc1)C2 299778201 MEBYNRHOOZELCS-UHFFFAOYSA-N 364.396 2.527 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 269613987 GBWDKMGWVWEUID-ZYHUDNBSSA-N 351.299 2.882 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c(OC)c1 952851734 UKLGNGAWEKSVBX-DJJJIMSYSA-N 357.410 2.589 0 50 FFAA Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1Cc1cnon1 952895053 RCMQQDPDJWYYTQ-GOSISDBHSA-N 353.426 2.505 0 50 FFAA Cc1cc(C(=O)NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)ccc1F 952849608 XQZSZJWTYFTLFI-SQWLQELKSA-N 359.401 2.679 0 50 FFAA c1ccc(-n2ncc(Cc3nc(C4(Cc5ccccn5)CC4)no3)n2)cc1 1875286375 RSXRUOXWDOXXHO-UHFFFAOYSA-N 358.405 2.910 0 50 FFAA CN1CC[C@H](NC(=O)N2CCC[C@H]2Cc2ccc3ccccc3c2)C1=O 1875259787 JCBSYAMIRYSAIX-OALUTQOASA-N 351.450 2.787 0 50 FFAA Cn1nccc1-c1n[nH]cc1CN1CCC[C@](CO)(Cc2ccccc2)C1 1875292533 LHGZVLJMHPKZPM-NRFANRHFSA-N 365.481 2.627 0 50 FFAA COC(=O)[C@H](C[C@H]1CCOC1)NC(=O)[C@@H](C)Oc1cccc2ccccc12 1875297731 BRRQSRBKDRZLDH-RKVPGOIHSA-N 371.433 2.692 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn2c(C)cc(C)nc12 1875383196 KPALUGXKENFNJF-UYAOXDASSA-N 374.444 2.649 0 50 FFAA CCN=c1cc(-c2cn([C@@H]3CCCN(c4ccccc4)C3=O)nn2)cc[nH]1 1875318589 UTAGIDFNWDLJRZ-GOSISDBHSA-N 362.437 2.562 0 50 FFAA CCC[C@@H](CNCc1ccc(OCCN(C)C)c(OCC)c1)N(C)C 952871877 DEAUCJIXGIFGQZ-SFHVURJKSA-N 351.535 2.846 0 50 FFAA CC(C)(C)NC(=O)CN1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 952987472 IACHSKBYKUHUNR-UHFFFAOYSA-N 374.312 2.731 0 50 FFAA CC[C@H](C(=O)N(C)CCCc1c(C)n[nH]c1C)N1Cc2ccccc2C1=O 952987985 PGOOLLSZUNNGQA-LJQANCHMSA-N 368.481 2.852 0 50 FFAA O=C(COc1cc(Cl)ccc1Cl)N[C@@]1(c2ncc[nH]2)CCOC1 886093468 WOCPLKXUGPLTMP-HNNXBMFYSA-N 356.209 2.527 0 50 FFAA O=C(c1ccc2ncccc2c1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565525439 AXQYJSCHYXAASB-UZLBHIALSA-N 365.477 2.950 0 50 FFAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)c1 1565529328 KEMFBIXVXDALPH-UZLBHIALSA-N 356.466 2.605 0 50 FFAA CC(C)Oc1c(F)cc(NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1F 408048222 WEKLGMDHDTVEPS-HOTGVXAUSA-N 369.412 2.689 0 50 FFAA CC(C)[C@H](CNC(=O)CNC(=O)c1ccc(O)cc1)Cc1ccccc1 170605312 RIPLKCOHNTWJKQ-SFHVURJKSA-N 354.450 2.753 0 50 FFAA Cc1noc(CN(C)C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)n1 1772814528 DSZMBKDDASOABA-ZDUSSCGKSA-N 369.450 2.660 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCN(C)C3(CCOCC3)C2)CC1 1775982245 IFYDLUUIWBUULN-UHFFFAOYSA-N 361.505 2.900 0 50 FFAA CC(C)NC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 11844450 PJJIHOMXHXCUKV-LJQANCHMSA-N 365.424 2.897 0 50 FFAA CCOC(=O)CC1(NC(=O)[C@@H]2CCN(c3ccccc3)C2=O)CCCCC1 12049176 HAXIDZONJLIGKN-KRWDZBQOSA-N 372.465 2.812 0 50 FFAA O=C(CC[C@@H]1CCCN(Cc2cccn2-c2ncccn2)C1)N1CCCC1 12300308 JPEUCDDFYUHJNI-SFHVURJKSA-N 367.497 2.882 0 50 FFAA O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 19855092 QVAAXUKIMTZQJU-UHFFFAOYSA-N 373.840 2.863 0 50 FFAA O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCOCC1 1518211 OSKZOVKOFYKNCC-UHFFFAOYSA-N 360.460 2.984 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(OC)c(OCC)c1 4852362 OFZHWUDSJMSGOY-AWEZNQCLSA-N 368.817 2.938 0 50 FFAA COCc1cc(=O)c(O)c(-c2[nH]c(-c3cnc[nH]3)nc2-c2ccccc2)o1 1857526661 RAIJIEQNGPSFQR-UHFFFAOYSA-N 364.361 2.939 0 50 FFAA COc1cccc2c1CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2 1857529293 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N=c1[nH]c2cc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc2s1 1857717820 ZUZMJMFKLYFVFF-HNNXBMFYSA-N 368.462 2.925 0 50 FFAA Cc1cc2cc(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)ccc2o1 1857727761 ZLESCJWPPVQRRS-CDXJDZJCSA-N 368.433 2.939 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NC2Cc3ccccc3C2)CC[C@H]1NC(=O)CC 1875244793 VDSDOLVLWDRDJP-DFQSSKMNSA-N 372.509 2.760 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2ccncc2)CC[C@@H]1O 1875250234 HSZWTBXFSLFNBD-PZJWPPBQSA-N 354.450 2.742 0 50 FFAA O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 122103701 VIZLAYZQQBILIF-IAGOWNOFSA-N 352.438 2.695 0 50 FFAA Cc1ccc(-n2nc(C(=O)N[C@@H]3CCCC[C@H]3O)c3c2CCC3)c(F)c1 152068802 VSWULQMTSRYUOE-CRAIPNDOSA-N 357.429 2.842 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)Nc3ccccc3-n3cccn3)C2)n1 263768167 IEKDHGFFWNNWIT-CQSZACIVSA-N 352.398 2.975 0 50 FFAA O=C(COc1ccc2c(c1)CCCC2)N1CCC(Nc2cccnn2)CC1 164101779 SYWZUBCFRYVLJT-UHFFFAOYSA-N 366.465 2.837 0 50 FFAA CC(C)(C)OC(=O)NCc1nc(COc2ccc3oc(O)nc3c2)no1 853717758 ORROUJTWAWBHRM-UHFFFAOYSA-N 362.342 2.520 0 50 FFAA C[C@]1(c2ccccc2)COCCN1C(=O)[C@H]1CC(=O)c2cc(F)ccc2O1 2325757362 FHEMJRAIJPPBHC-TZIWHRDSSA-N 369.392 2.934 0 50 FFAA Brc1ccc(Cc2nc(N3CCNCC3)no2)c2ccccc12 2325856586 WBQDKRMJPDFRJR-UHFFFAOYSA-N 373.254 2.986 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(Cc3cccc(O)c3)CC2)C1 2325888629 LOXJVDQXYZCPJU-SFHVURJKSA-N 356.466 2.598 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3c(Cl)ccnc3Cl)CC2)C1 2325891120 RKMJDXLXHONIIG-UHFFFAOYSA-N 365.282 2.968 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 862253 UZEMGGDRUFCVPZ-GFCCVEGCSA-N 357.362 2.666 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)NS(=O)(=O)c1ccccc1 941031 PRLARXWVIITPAD-UHFFFAOYSA-N 360.218 2.877 0 50 FFAA Cc1cccc(C(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1O 1207663 LOJYBNBXKNGQCF-INIZCTEOSA-N 365.311 2.597 0 50 FFAA Cc1ccc2oc(C(=O)N3CCC[C@@]34CCCN(CCO)C4=O)c(C)c2c1 2356136354 QZJXLFKHKPWJNQ-OAQYLSRUSA-N 370.449 2.639 0 50 FFAA COc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)n3)C2=O)cc1OC 2592096 ZMBSHGOYTONAQH-OAHLLOKOSA-N 373.434 2.535 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 246047249 ASEQMRUWVBGTBY-XSDHEKCYSA-N 366.527 2.688 0 50 FFAA Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 6729478 YMXQZUFOOHITBV-UHFFFAOYSA-N 359.451 2.533 0 50 FFAA CC(C)(NC(=O)c1cccs1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 55099922 BJUGNTPGRNGFGM-MRXNPFEDSA-N 371.506 2.647 0 50 FFAA Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2nnc3n2CCCC3)cc1 113388706 NLIAZIDEOZURSD-KRWDZBQOSA-N 353.470 2.840 0 50 FFAA COc1cc(OC)c(OC)cc1CN(C(=O)[C@H]1CCCCN1C)C(C)C 55414107 OPLCAGJZYGRSJQ-MRXNPFEDSA-N 364.486 2.934 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 24611006 KHHXWOPLHABSHW-UHFFFAOYSA-N 364.511 2.549 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)[C@H](c1ccnc(C(C)C)n1)CC(=O)N3 65409378 TVSFSCHALJUAMX-CYBMUJFWSA-N 366.421 2.819 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cn2cc(C3CC3)nn2)CC1 23192045 IWRCBNKWQPEVMS-UHFFFAOYSA-N 369.425 2.828 0 50 FFAA CN(CCc1ccncc1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67642837 XHLJMHOAFYBWFT-UHFFFAOYSA-N 354.385 2.838 0 50 FFAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1 65363949 RZACZLGBFFMMIF-IAGOWNOFSA-N 352.500 2.624 0 50 FFAA COCCN1CCC(NC(=O)c2ccc(OC)c(-c3ccccn3)c2)CC1 121985152 DEXOAELHFHSYQR-UHFFFAOYSA-N 369.465 2.598 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCN(CCO)CC1 20997902 KQWAYDDKTGQXEX-IBGZPJMESA-N 372.896 2.999 0 50 FFAA O=C(NCCc1ccc(Cl)nc1)C1CCN(C(=O)c2ccccc2)CC1 150963241 XHOCNTSOGLZXDF-UHFFFAOYSA-N 371.868 2.946 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1 252494653 OAZDFUFSZVUOGO-HXUWFJFHSA-N 367.534 2.608 0 50 FFAA Cc1nc2ncccn2c1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 67872192 FWMKJRGRVONHMJ-UHFFFAOYSA-N 352.423 2.762 0 50 FFAA CCCCOCC(=O)N1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 72420419 IUCJPMLMLZVUMT-QGZVFWFLSA-N 360.502 2.908 0 50 FFAA Cn1ncc2c(NCCc3noc([C@H]4CCCO4)n3)nc(C(C)(C)C)nc21 72161109 YMHAZHUHNOGMRJ-GFCCVEGCSA-N 371.445 2.550 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 363151458 GPMLELSMHNPHBQ-ROUUACIJSA-N 356.426 2.743 0 50 FFAA O=C(Cc1cc(F)cc2c1OCOC2)Nc1ccc(F)c(-c2nc[nH]n2)c1 485482251 SCEDWIWETSBMHV-UHFFFAOYSA-N 372.331 2.798 0 50 FFAA COC[C@H](O)CNc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 39412779 CSURHLJFBJOWHR-CQSZACIVSA-N 360.801 2.871 0 50 FFAA Cc1cccc(C[C@@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C(=O)O)c1 237676015 FYUJPMMLFWZRQH-LSDHHAIUSA-N 358.394 2.508 0 50 FFAA CCCC1(O)CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 489963122 YXAPYKWGZGXVMW-UHFFFAOYSA-N 374.525 2.658 0 50 FFAA CCCc1nc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)cs1 77438447 ZCQNNILLWZVSAP-UHFFFAOYSA-N 373.478 2.702 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 72141785 NBEZJERVGKJQLV-INIZCTEOSA-N 368.478 2.511 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)c3cn(C)nc3C)CC2)OC1=O 77470954 KITLSLJACRWKIC-UHFFFAOYSA-N 362.474 2.592 0 50 FFAA CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)COc1cc(Cl)cc(Cl)c1 241126062 JJELPRJDHKBZDV-JSGCOSHPSA-N 364.269 2.646 0 50 FFAA NC(=O)c1cccnc1N[C@@H]1CCCN(c2nc3ccccc3s2)C1 72467894 CXXYDCUHFXWCFL-GFCCVEGCSA-N 353.451 2.871 0 50 FFAA CCc1nccn1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 72475878 BQWJPWVQRLRXOX-UHFFFAOYSA-N 369.494 2.794 0 50 FFAA CC(C)[C@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)C(=O)O 263209482 NIDVQTNNCMCQHF-INIZCTEOSA-N 359.401 2.729 0 50 FFAA Cc1noc(CCCNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1 287218539 DHLWVQALIOFHDN-FGTMMUONSA-N 370.453 2.525 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1nccc(-c2ccccc2)n1 82097046 BCOWBOZVZNLWQB-UHFFFAOYSA-N 363.465 2.785 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccccc3)C2)CN1CCc1c[nH]cn1 82121024 FPUXJIHAIIRBJE-NRFANRHFSA-N 352.482 2.857 0 50 FFAA CCc1oncc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82138608 VTJNKVOAXUJWBS-UHFFFAOYSA-N 371.485 2.902 0 50 FFAA O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 226087340 QKILOOYOCAGNHF-VIFPVBQESA-N 352.239 2.620 0 50 FFAA CS(=O)(=O)CCNC(=O)c1cccc(-c2ccc(C(F)(F)F)nc2)c1 426589205 ZPSOBMAHHYCOLX-UHFFFAOYSA-N 372.368 2.542 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCCN(c2cnccn2)C1 426484439 LCZZUKJYYMHSJF-HNNXBMFYSA-N 367.428 2.733 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1COCC[C@@H]1OCC1CC1 223077689 XMXXWRBSWVYFFI-CVEARBPZSA-N 357.372 2.948 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(Cc2cccc(O)c2)CC1 82087324 DMJDHUCYJGKIPA-UHFFFAOYSA-N 369.513 2.979 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)CSc1ccccc1)CC2 91951739 FXUHWMIYFWTOSH-UHFFFAOYSA-N 370.522 2.898 0 50 FFAA CCc1cccc(OC2CN(C(=O)c3coc(CN4CCOCC4)c3)C2)c1 97553203 QZVUZHAQBMCREH-UHFFFAOYSA-N 370.449 2.578 0 50 FFAA O=C(N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)c1ccc2ccccc2c1 426504621 QPURSKOLSAKKQX-RTBURBONSA-N 367.474 2.662 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cnc(SCc3ccccc3)nc1)C2 95379000 OSXQXIZPDGYURH-ZWKOTPCHSA-N 368.506 2.822 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccccc1)C2 91871467 WOJUXEMQCMPEOX-AZUAARDMSA-N 363.461 2.777 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)CCC(=O)c1ccc(F)cc1)CC2 95354494 BLPBRQJWIAHCFH-GOSISDBHSA-N 363.429 2.975 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c(Cl)cncc1Cl)C2 91872391 QCWFZBWARPZWQN-VXGBXAGGSA-N 357.285 2.966 0 50 FFAA C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)c2ccccc21 183173816 KGSOUQRKHKIZQK-OAHLLOKOSA-N 373.478 2.633 0 50 FFAA Cc1cc2ccccc2n1CC(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O 184036430 QBGKPKHPBCRMBK-MJGOQNOKSA-N 354.450 2.936 0 50 FFAA O=C(NC1(CN2CCCCC2)CC1)N1CCN(CCc2ccccc2)CC1 534592753 HQUBPKOZASAEHU-UHFFFAOYSA-N 370.541 2.575 0 50 FFAA CCn1cc(-c2ccc(C(=O)NCCCn3ccccc3=O)cc2)c(C)n1 534636284 LGYGELPCZDEQRB-UHFFFAOYSA-N 364.449 2.860 0 50 FFAA COC(=O)c1cc(Br)c(F)cc1I 96300686 ZNHQZXYEMVYSOP-UHFFFAOYSA-N 358.932 2.979 0 50 FFAA O=C1C[C@@H](C(=O)NCc2cnn(-c3ccc(F)cc3)c2)C2(CCCCC2)O1 299797363 NTHZBPKIUSMDAQ-KRWDZBQOSA-N 371.412 2.894 0 50 FFAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1nc2ccccn2c1F 670438294 QRBAVYJASQHWBK-MRXNPFEDSA-N 352.413 2.693 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)[C@@H](C)OC[C@H]3CCCCO3)CCO2)c1 268990294 GCPNBQURXKZSOH-LZQZEXGQSA-N 363.454 2.569 0 50 FFAA Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn(C)nn1 952853123 OQSWGLJRFZKPOH-FUHWJXTLSA-N 357.458 2.655 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCOC2)cc1 1875287576 PIUQPWTXBQBKSP-TZIWHRDSSA-N 366.461 2.690 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(-c3noc(C4CC4)n3)cc2)cn1 1875383883 BXMJZSFBGKJDEB-GYCJOSAFSA-N 351.410 2.611 0 50 FFAA CNC(=O)COc1cccc(CNC(=O)CCCCc2ccccc2)c1 888304618 GCADMSXSCMUHEY-UHFFFAOYSA-N 354.450 2.841 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3ncccc3C(F)(F)F)[C@@H](O)C2)cs1 1565508238 WYHDIQYFFZTQMB-KBPBESRZSA-N 372.416 2.913 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ncnc4c(C)csc34)CC2)cc1 189971378 KYDVMZVFJHSKQM-UHFFFAOYSA-N 368.462 2.971 0 50 FFAA CCO[C@@H]1C[C@@](O)(CNC(=O)N[C@@H]2CCCc3sccc32)C1(C)C 191457376 FKKMXNBQXLVMEH-DDUZABMNSA-N 352.500 2.991 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cccnc2OC)CC1 1506421983 XSLSYYYSBNLXGM-UHFFFAOYSA-N 368.481 2.654 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)C[C@H]2O)on1 1704301250 RCGZBFCIDVOBCL-SJKOYZFVSA-N 357.385 2.587 0 50 FFAA Clc1cccc(-n2cc(CN3CCN4[C@H](COC[C@H]4C4CC4)C3)cn2)c1 1616071671 XUCIOOMDKKMLQS-PMACEKPBSA-N 372.900 2.821 0 50 FFAA COc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 1150860 XFKCKOGELICZIV-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 12075886 RTHPOVIMZCJHPW-GOSISDBHSA-N 354.381 2.559 0 50 FFAA CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCCC1)C2 14997157 WVZQHXMTUISHHL-VXGBXAGGSA-N 363.483 2.885 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)/C=C/c3c[nH]cn3)C2)c(C)c1 15936448 WLRFPMZOEGOJPQ-SBJJXXPASA-N 353.422 2.861 0 50 FFAA COc1cc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)ccc1Cl 16649335 UXZCAHQGEHGARG-UHFFFAOYSA-N 361.764 2.903 0 50 FFAA Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ccccc1)n2Cc1ccccc1 1263755 OBFHHQMOXGARCE-UHFFFAOYSA-N 364.430 2.623 0 50 FFAA O=C(NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12)c1ccoc1 169778481 IQZZTVKAUVSEEN-UHFFFAOYSA-N 353.769 2.968 0 50 FFAA O=C(c1ccccc1F)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779696 UYAYZBJLIBTJLZ-UHFFFAOYSA-N 366.396 2.720 0 50 FFAA COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3cc(C)on3)C2)cc1Cl 4806846 KWASYLOTUJUNQE-AWEZNQCLSA-N 365.773 2.785 0 50 FFAA CCCC(=O)N[C@H](Oc1ccccc1C(N)=O)C(Cl)(Cl)Cl 2620761 PSHZLBVFNQTHPM-GFCCVEGCSA-N 353.633 2.777 0 50 FFAA CCOC(=O)NC(=S)Nc1cccc(NC(=S)NC(=O)OCC)c1 2840446 URXFYTKCCMASJX-UHFFFAOYSA-N 370.456 2.572 0 50 FFAA Cc1c(OCC(=O)N2CCOCC2)ccc2c3c(c(=O)oc12)CCCCC3 2843420 DMQISAHXEBMEDK-UHFFFAOYSA-N 371.433 2.608 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cn3ccccc3n2)CC[C@H]1NC(C)C 1857725104 WQBWXFWDXMONSK-QXAKKESOSA-N 372.513 2.912 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1 328655971 YWIXCQWSXYIXBO-MJGOQNOKSA-N 370.501 3.130 0 50 FFAA C[C@@H](NC(=O)N1CCC(N2CCCNC2=O)CC1)c1ccc(F)c(F)c1 131305259 QCGIENUVFXRNCA-GFCCVEGCSA-N 366.412 2.615 0 50 FFAA CC(=O)N[C@H](C)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 252499042 RUHRNLKZVSNFCQ-CYBMUJFWSA-N 362.424 2.887 0 50 FFAA CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 158091670 UDGRUEZEKZEXEZ-QFIPXVFZSA-N 364.445 2.703 0 50 FFAA Cc1cc2ncc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)O)c(C)n2n1 262544429 VPRSZWIAUXAALY-SJCJKPOMSA-N 352.394 2.538 0 50 FFAA COc1cccc(C[C@@H](NC(=O)c2ccn(C3CCCCC3)n2)C(=O)O)c1 910209659 PGUMXVSLECMNST-GOSISDBHSA-N 371.437 2.823 0 50 FFAA COc1cccc([C@H]2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1 4708083 BKGLRAAQGFAGKT-CQSZACIVSA-N 374.400 2.669 0 50 FFAA CCc1nc(O)ccc1C(=O)N[C@H](CCn1cncn1)c1ccccc1 2100543868 ZRVWFHUPNPBPKR-QGZVFWFLSA-N 351.410 2.503 0 50 FFAA C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2)N1C(=O)c2cccc3cccc1c23 2100545471 WSRBYTGDACLCQC-SRABZTEZSA-N 364.445 2.950 0 50 FFAA O=C(Nc1nnc(-c2ccncc2)s1)c1csc([C@@H]2CCCNC2)n1 2325768462 GZTPMNFNLIFRDI-LLVKDONJSA-N 372.479 2.776 0 50 FFAA COC(=O)c1cccc2c(CN[C@@H]3CCCN(c4cnccn4)C3)c[nH]c12 2325826311 XUSMQZGHVBGMPP-OAHLLOKOSA-N 365.437 2.503 0 50 FFAA CCOC(=O)[C@@H](NC(=O)C1(F)CCCC1)[C@@H](O)c1ccc(Cl)cc1 862333676 OTDGQLDVJFGIAA-KBPBESRZSA-N 357.809 2.704 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 855385 ICGPJYQGMGIENK-IBGZPJMESA-N 368.433 2.558 0 50 FFAA CCCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)O)cc3)cc2C1=O 1061154 ROFXIJQHHSYPDD-UHFFFAOYSA-N 366.373 2.572 0 50 FFAA CNC(=O)C[C@@H]1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356140455 JQJNITIAWWKWSW-JTQLQIEISA-N 363.801 2.656 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3c(C)nn(C)c3C)C1)CC2 2356147256 OJICCKVVZATKDM-OAQYLSRUSA-N 367.497 2.575 0 50 FFAA COc1cc(C(=O)NCc2nc(CO)cs2)ccc1OCC(C)C 225426009 LVRCWMFMFBSCPZ-UHFFFAOYSA-N 350.440 2.609 0 50 FFAA CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cccc2c1OC(F)(F)O2 414451272 JJBVNITWHAPKKO-ZDUSSCGKSA-N 361.410 2.797 0 50 FFAA COc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(=O)n(C)c2)cc1 102588013 ILBAYTKSXRHIFM-BCDXTJNWSA-N 352.434 2.945 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 247202588 VCUWSXYYKJXOQT-JQVVWYNYSA-N 370.493 2.640 0 50 FFAA COCc1nc2ncc3c(=O)n(-c4cc(Cl)ccc4C)ccc3n2n1 67640801 NPQRLRPKLJUKAG-UHFFFAOYSA-N 355.785 2.537 0 50 FFAA COc1cc(-c2nc(CN(C)C[C@@H]3CCCO3)c(C)o2)cc2c1OCO2 67909837 ODSMGRWEHNKYHS-AWEZNQCLSA-N 360.410 2.998 0 50 FFAA CCn1ncnc1CN1CCC(c2n[nH]cc2Cc2ccccc2)CC1 67692820 OQPICQFTRJQYDO-UHFFFAOYSA-N 350.470 2.992 0 50 FFAA CCC1(CC)CN([C@H]2CCc3c(c(C(=O)O)nn3CC(C)C)C2)CCO1 67489906 ZVXNFCZGSYTWCZ-HNNXBMFYSA-N 363.502 2.986 0 50 FFAA COc1ccc(OC)c(-n2ccnc2-c2cnc(N3CCCC3)nc2)c1 67855880 FYNAYBICROUZKC-UHFFFAOYSA-N 351.410 2.947 0 50 FFAA Cc1nc[nH]c1CN[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12301030 QXJYTRLOROVQCR-CYBMUJFWSA-N 352.360 2.628 0 50 FFAA CCCO[C@H]1CCCN(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 65359293 QGSWLLDIYGRSRJ-AWEZNQCLSA-N 354.472 2.821 0 50 FFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 218300504 GUYJHGJBQNAWMD-SKDRFNHKSA-N 364.751 2.588 0 50 FFAA CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)cs1 219682403 MDCUUBLTPWBICZ-QZTJIDSGSA-N 361.463 2.769 0 50 FFAA Cc1ccc(-c2ccnc(N3CCC(N4CCC(O)CC4)CC3)n2)c(C)n1 71385503 HEAHUULYEVIGGM-UHFFFAOYSA-N 367.497 2.581 0 50 FFAA COC[C@@H](CN1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1 71767215 IDLJHLCNZCDOQP-HXUWFJFHSA-N 354.450 2.681 0 50 FFAA C[C@@H]1C[C@H](NS(=O)(=O)c2sccc2Br)c2nccn21 333023981 AFAKMKKRMXXOIO-APPZFPTMSA-N 362.274 2.691 0 50 FFAA COCc1cc(CN2CCN(C3CCSCC3)CC2)ccc1OC 215248702 WPAAIOAVSRPKHD-UHFFFAOYSA-N 350.528 2.855 0 50 FFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@H](c2ccco2)C1 127770647 DBKRNBROLNCDAQ-AWEZNQCLSA-N 357.391 2.832 0 50 FFAA COc1cccc([C@@]2(CN3CCN(c4ccnc(C)c4)CC3)CCOC2)c1 215050366 URRKKMHJUFSFIR-JOCHJYFZSA-N 367.493 2.879 0 50 FFAA O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1Cc1cccc(N2CCOCC2)c1 333923743 SNMHSFJXDOUMTF-NEWSRXKRSA-N 369.465 2.619 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCC[C@H](c2nnc3ccccn23)C1 334062456 ZLYMZFLSSDPLDC-FUHWJXTLSA-N 362.433 2.829 0 50 FFAA Cc1nn(C)c2sc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)cc12 237914666 YLNOXVDOWFCHRE-AWEZNQCLSA-N 355.419 2.595 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136310747 WJXCEOWPDQWNCA-UOVPBQLFSA-N 370.449 2.998 0 50 FFAA Cn1ncc2c(N[C@@H](Cc3ccccc3)C(N)=O)nc(C3CCCC3)nc21 72459027 YLHMEOHKNJDZOG-INIZCTEOSA-N 364.453 2.529 0 50 FFAA O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)N1CCC[C@@]12CCOC2 375989771 JANODLIETLNCJB-IBGZPJMESA-N 372.446 2.863 0 50 FFAA Cc1ccc(N2C[C@H](C)N(Cc3ccccc3OCCO)CC2=O)cc1 82116386 JNMZMHMFCLZYQH-KRWDZBQOSA-N 354.450 2.603 0 50 FFAA CCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1 222845710 FWTPQHSJWWDKIE-IAGOWNOFSA-N 362.451 2.646 0 50 FFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)CCc1n[nH]c2c1CCCC2 426399171 GMZQSSVFQUZZAE-UHFFFAOYSA-N 365.437 2.529 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)n[nH]2)c1 91468941 JFYHUAGZERDWHH-AWEZNQCLSA-N 354.454 2.784 0 50 FFAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H]2CCCCO2)cc1 95501593 CWBNRDKLFCDKDJ-OAQYLSRUSA-N 374.525 2.977 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 91636401 IPXZLXXHFIBFJQ-SFHVURJKSA-N 368.481 2.793 0 50 FFAA O=C(CCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O)c1ccccc1 91548030 OVZXLIBCDDDDOT-RBUKOAKNSA-N 368.477 2.899 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1ccncc1)C[C@H]1CCCO1 515856472 UTZJXFYCXYMSIB-GFCCVEGCSA-N 354.332 2.645 0 50 FFAA C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C[C@]1(C)O 91593760 HIEMOFQGWJSQQI-QRWLVFNGSA-N 373.474 2.503 0 50 FFAA CCc1ocnc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95359564 KREKEFYNNZJQJZ-PWIZWCRZSA-N 367.449 2.645 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 91656659 SPQAGGRNQJUXFG-UHFFFAOYSA-N 366.469 2.821 0 50 FFAA O=C1CC2(CCN(C[C@@H]3CCOC3)CC2)CN1Cc1ccc(F)c(F)c1 91746271 SHCIIXMZWLZACZ-INIZCTEOSA-N 364.436 2.816 0 50 FFAA O=C(O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 91793179 YIBVKJKYSCAGMM-AZUAARDMSA-N 351.450 2.876 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@H]2N(C)C)cc1 95528986 RYOICLBCMNDJFN-VQTJNVASSA-N 356.441 2.933 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@H]2COc3ccc(OC)cc3C2)c1C 91644144 SYXFPZZYQUBPCK-MRXNPFEDSA-N 357.454 2.786 0 50 FFAA CC(C)Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)n(C)n1 92099698 VWNZRGIGUUJMJS-DLBZAZTESA-N 355.438 2.559 0 50 FFAA CNC(=O)[C@@H]1CCCN1Cc1cccc(OCCCN2CCCCC2)c1 244787944 QGURVPQIZAOCPJ-FQEVSTJZSA-N 359.514 2.652 0 50 FFAA Cc1c(C(=O)N2CCc3[nH]c(-c4ccc(C(=O)O)cc4)nc3C2)ccn1C 244828586 TYXHJLCBEWBIPE-UHFFFAOYSA-N 364.405 2.620 0 50 FFAA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc2ccccc2c(=O)c1O 253413111 TUUFGXFEYRBKRK-ZDUSSCGKSA-N 370.357 2.908 0 50 FFAA biogenic CCCn1cnnc1CN(C)C(=O)NCc1cc2c(cc1OC)CCC2 534631146 WPTHGFGCAWXQHX-UHFFFAOYSA-N 357.458 2.527 0 50 FFAA COc1ccc2oc(CNC(=O)[C@@H](c3cccnc3)N3CCCC3)nc2c1 299761580 LBABAUDNFAJYGA-LJQANCHMSA-N 366.421 2.685 0 50 FFAA CC(C)COc1ccccc1NC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 299791807 DLILIFRVOMIKBY-ROUUACIJSA-N 361.486 2.784 0 50 FFAA COC(=O)[C@@]1(F)CN(C(=O)c2cc(Cl)nc(Cl)c2)C[C@H]1C1CC1 1875379600 ZARDULLPXDTIPR-ZUZCIYMTSA-N 361.200 2.752 0 50 FFAA O=C1CC[C@@H](N2Cc3c(cccc3-c3ccsc3Cl)C2=O)C(=O)N1 1875355692 FJAQHSOEDSAIPH-CYBMUJFWSA-N 360.822 2.830 0 50 FFAA CC(=O)N1CC2(CCN(C(=O)c3ccc4n[nH]c(C)c4c3)CC2)C[C@H]1C 1875360275 DJJCLGJQQFDMHO-CYBMUJFWSA-N 354.454 2.734 0 50 FFAA C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 1875319083 PQZLLZXGKOTRSM-YMTOWFKASA-N 355.316 2.574 0 50 FFAA Cc1sc(Cl)nc1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@@H]2C)C1 1875406398 CSHJSWWFGXLIHG-XPXLGCRWSA-N 355.891 2.870 0 50 FFAA CC[C@H]1C[C@@H]1C(=O)N1CC[C@@H]2CN(c3ncnc(C)c3OC)C[C@@H]2CC1 1875408289 SFGSBLLIXZXDRQ-NXOAAHMSSA-N 358.486 2.515 0 50 FFAA O=C([C@@H]1CCC2(CCCCC2)NC1)N1C[C@@H](Cn2cnnc2)C2(CCC2)C1 1875404274 CCTFXKKDAULMTL-QZTJIDSGSA-N 371.529 2.609 0 50 FFAA CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(C(C)C)nc(N)n1 952869000 KCJQJMLHSGZGFO-UHFFFAOYSA-N 370.432 2.902 0 50 FFAA COc1ccc(-n2cc(CN3C[C@H](OC)C[C@@H]3c3ncc[nH]3)cn2)cc1 888077668 OMUMDBIPVPXBER-QZTJIDSGSA-N 353.426 2.566 0 50 FFAA CCSc1ncc(CN2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)cn1 1565526058 XVOJPDGDQOVTFM-YJBOKZPZSA-N 362.543 2.664 0 50 FFAA Cc1ccc(CC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cn1 275614223 LXYRMQIFKMAGPP-SFHVURJKSA-N 366.465 2.608 0 50 FFAA CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1ccc(C)c(C)c1 195194920 CQXCHGMWNWDXNB-UHFFFAOYSA-N 356.451 2.951 0 50 FFAA CN(C)C(=O)C(C)(C)NC(=O)c1ccc(CSc2ccccn2)cc1 1506406986 STPIDHISNZLZLL-UHFFFAOYSA-N 357.479 2.971 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccc3cccnc3n2)C[C@@H]1O 210347765 YAKFBWCYFAOFSR-HOCLYGCPSA-N 353.447 2.990 0 50 FFAA CC(C)n1cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)cn1 1615736876 PMIDFRSPLAFQNW-JXFKEZNVSA-N 364.449 3.000 0 50 FFAA O=C(CCOc1ccccc1)N1CCCN(C(=O)[C@H]2CC23CCC3)CC1 1772700725 DRVYIJOAZUWQFP-GOSISDBHSA-N 356.466 2.707 0 50 FFAA CCOC(=O)[C@@H]1NN=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 5205461 IZHJEBWJDHBXHA-FUHWJXTLSA-N 352.390 2.553 0 50 FFAA CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3cc(C)[nH]n3)no2)cc1 11932920 FTYWRUVHXNWOQU-UHFFFAOYSA-N 368.393 2.760 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CC(F)(F)F)CC1 12052171 NWTISNCNKVNYGH-UHFFFAOYSA-N 360.380 2.984 0 50 FFAA CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CN1CCC[C@H]1CO 12218695 UFQAVSFBSLPJJM-HNNXBMFYSA-N 363.845 2.659 0 50 FFAA CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)nc1C 13746691 HFUJBXFNVMTXDD-UHFFFAOYSA-N 356.350 2.924 0 50 FFAA COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)cc2)cc1OC 14399358 PSEVMELKLWPOOC-UHFFFAOYSA-N 370.449 2.513 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CCN(C1CCOCC1)C2 14974238 QATBEVMJOWMPKL-FQEVSTJZSA-N 364.436 2.958 0 50 FFAA CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1782221 ZWNMXXPGTHQGFN-KRWDZBQOSA-N 366.373 2.675 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 5444397 CHHHCNUMPUPENV-UHFFFAOYSA-N 372.406 2.972 0 50 FFAA COc1ccc(F)c(F)c1CN1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857725795 NATUCGOBPYDTPP-NDQWIJPBSA-N 352.425 2.514 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)c1ccc(OC)cc1 1875243650 QOWRTZOAGOMYPM-KFKAGJAMSA-N 374.481 2.668 0 50 FFAA Cc1nc(C(=O)N[C@@H]2CCCc3nn(C)cc32)c(Br)s1 333839783 NFDGWEKKMKHZBJ-SECBINFHSA-N 355.261 2.755 0 50 FFAA CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(O)nc1 154982549 AYMNBBAWRYYQFN-UHFFFAOYSA-N 355.316 2.788 0 50 FFAA COc1ccc([C@@H](CCO)NC[C@H](O)COc2ccc3cc[nH]c3c2)cc1 930187834 HNVYAAUGJVOKGM-FXAWDEMLSA-N 370.449 2.630 0 50 FFAA C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)N[C@H](CN)C1CCCC1 841983852 FLJGFLLJQBGSIX-KBXCAEBGSA-N 374.485 2.863 0 50 FFAA C=CC(=O)N1CCC(C(=O)NOCCC(F)(F)F)(c2ccccc2)CC1 847771231 UCRQYVAANDYLED-UHFFFAOYSA-N 370.371 2.733 0 50 FFAA O=C(N[C@@H]1CCCn2ncnc21)c1ccc(Cl)cc1Br 268521381 UUJSOLZLUYLFBM-LLVKDONJSA-N 355.623 2.959 0 50 FFAA COC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3cn(C)c4ccccc34)C2)C1 2325739102 DCNFMUVHTXSCTP-CVEARBPZSA-N 369.465 2.973 0 50 FFAA CC[C@H](CNC(=O)Cn1cc([C@@H]2CCOC2)cn1)Oc1ccccc1C 2325771236 MCFDVNADYKJZJD-SJLPKXTDSA-N 357.454 2.669 0 50 FFAA Cn1c(C(C)(C)NC(=O)c2ccc3c(c2)CCNCC3)nc2ccccc21 2325795650 RHWKYAFCJHIVLT-UHFFFAOYSA-N 362.477 2.927 0 50 FFAA CN(CCCN(C)C(=O)CC1CC1)C(=O)Cc1ccc2cnccc2c1 2325868353 XHAWKHUMJCUUIO-UHFFFAOYSA-N 353.466 2.884 0 50 FFAA N=c1nc2c(c[nH]1)CN(C(=O)c1coc3c(Br)cccc13)C2 2325872205 MBSFNUSTGJBZGS-UHFFFAOYSA-N 359.183 2.554 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 3612968 YWOXJGIDSMLTGU-NSHDSACASA-N 368.842 2.654 0 50 FFAA CCCc1nc(C)cc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)n1 2356163592 KBLIBOQTRFDJML-DYESRHJHSA-N 369.465 2.622 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(O)nc2C(C)C)n1 2356163967 YUOUUXFEBICQRD-AWEZNQCLSA-N 374.441 2.850 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 4749304 MKTQWEILLANZID-KGLIPLIRSA-N 350.846 2.880 0 50 FFAA COc1cccc(CNC(=O)[C@H](C)N2CC[C@@H](CNc3ccccn3)C2)c1 246100859 HYGZYCORPVZUNN-WMZOPIPTSA-N 368.481 2.529 0 50 FFAA Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1C 6818930 HNPYBKFRNMZPFB-UHFFFAOYSA-N 361.467 2.679 0 50 FFAA CC(C)(O)[C@@H]1CCCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67587107 RBXZWFKOLNABER-CYBMUJFWSA-N 361.417 2.751 0 50 FFAA CN1CCC2(CCCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)CC1 67673195 UXDGPQRLZSMGOK-UHFFFAOYSA-N 353.470 2.810 0 50 FFAA CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OC)cc3)[C@H]2C1=O 101268006 HSUUERRBFBTAAB-KZNAEPCWSA-N 352.390 2.562 0 50 FFAA COC(=O)c1ccc(CN2CCO[C@H](Cc3cccc(OC)c3)C2)cc1 20542510 JVGBQVQXBTXZNB-HXUWFJFHSA-N 355.434 2.925 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCc3noc(C(C)C)n3)cn2)cn1 67896202 POCBXAWMOHTMPJ-UHFFFAOYSA-N 353.382 2.589 0 50 FFAA NCc1cn(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nn1 23478387 QCFPNYJPFJNTNJ-UHFFFAOYSA-N 368.363 2.625 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(=O)N(CC2CC2)CC1 20500092 KGGXTISKYHUPNH-CQSZACIVSA-N 364.873 2.887 0 50 FFAA COc1ncc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 65395631 VKFWQZLRSRTRBI-HXUWFJFHSA-N 351.406 2.956 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCN1CCc2ccccc21 65422599 FCCSYOZGLKILJC-UHFFFAOYSA-N 372.778 2.885 0 50 FFAA C[C@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)n1cccc1 67726041 DJMLJVRKMVXXQF-QGZVFWFLSA-N 363.465 2.834 0 50 FFAA CCc1nn(C)c(Cl)c1[C@@H]1CC(=O)Nc2cc(OCC(=O)O)ccc21 65371323 HTVSNWLVQCJVRW-LLVKDONJSA-N 363.801 2.573 0 50 FFAA COCc1cc(C)nc2sc3c(=O)n(-c4ccc(F)cc4)nnc3c12 1079777 SIICFDSUZAFTLN-UHFFFAOYSA-N 356.382 2.984 0 50 FFAA CCCCCCOc1cccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2192321 QSZVELVPZWZJFZ-PBHICJAKSA-N 351.468 2.796 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 2137196 YOLATPGKMIYFSE-KRWDZBQOSA-N 350.374 2.757 0 50 FFAA biogenic Cc1[nH]ncc1CN(C)Cc1ccc(OCC(=O)N2CCC(C)CC2)cc1 215670313 PWYNVBHATCJJDS-UHFFFAOYSA-N 370.497 2.987 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@H]3c3nnc(C(C)C)o3)c2c1 328613500 SEMLOBOHCNHYRI-CQSZACIVSA-N 355.398 2.591 0 50 FFAA Cc1ccc(NC(=O)CCCc2nccs2)cc1S(=O)(=O)N(C)C 253404958 GIQANUFJPZDSDV-UHFFFAOYSA-N 367.496 2.663 0 50 FFAA O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1 151086172 VAZPOTJURGQWAP-CHWSQXEVSA-N 360.820 2.721 0 50 FFAA CCc1cc(-c2cc(-c3[nH]c(C)c(C(=O)O)c3C)nc(N)c2C#N)[nH]n1 71405568 YUQUIQBGIACTED-UHFFFAOYSA-N 350.382 2.798 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 216369211 AFFLEJYJGZQJHO-GOSISDBHSA-N 363.469 2.895 0 50 FFAA COc1ccc2cc([C@H]3CN(C(=O)CCCNC(C)=O)CCO3)ccc2c1 71746491 KTTLYJAWATVGEJ-HXUWFJFHSA-N 370.449 2.665 0 50 FFAA CCN(Cc1ccncc1)C(=O)C1(Oc2ccc(C)cc2)CCNCC1 77537833 CHJCMQUYZXDGOS-UHFFFAOYSA-N 353.466 2.940 0 50 FFAA COc1ccc(-c2nccn2-c2ccc(-n3cnnn3)cc2)c(OC)c1C 71589594 UTGNEWQOUQJVJE-UHFFFAOYSA-N 362.393 2.841 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)N1CCC(Cc2cccc(C(=O)O)c2)CC1 72149438 OYTYPUGRIYVYID-HNNXBMFYSA-N 355.438 2.699 0 50 FFAA CCn1cncc1CN1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 72163775 MLGITXMKXWTFOG-BHDDXSALSA-N 366.509 2.974 0 50 FFAA CC[C@H](C)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(C)c(=O)c2n1 72438215 VBAMEPDCOLPRSO-LBPRGKRZSA-N 356.401 2.615 0 50 FFAA COc1ccccc1N1CCN(Cc2ccccc2OCC(=O)O)[C@H](C)C1 72157364 WHKCIUQOKRHEIW-MRXNPFEDSA-N 370.449 2.869 0 50 FFAA C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1cccn1C 239297247 DUJOCSPSKVHRDE-KDOFPFPSSA-N 352.438 2.536 0 50 FFAA C[C@H]1C[C@H](NC(=O)[C@H](C)n2c(S)nnc2-c2cccs2)C[C@@H](C)O1 239366877 AGMHFLNUWHWRCI-USZNOCQGSA-N 366.512 2.929 0 50 FFAA CC(C)n1ccnc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 186787329 FSXCGFJBKGNAFG-UHFFFAOYSA-N 360.409 2.657 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NCc1ccnc(OCC2CC2)c1 241121857 JEICMMNKMFTZKY-AHRSYUTCSA-N 359.514 2.849 0 50 FFAA CS(=O)(=O)[C@@H]1CCC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 242338960 ZDUJXNMRJBMSJF-ZIAGYGMSSA-N 365.524 2.693 0 50 FFAA O=C1OC(c2ccccc2)=N/C1=C1\CC[C@H](C(=O)OCc2ccccc2)N1 44122721 KDNMIGSWMDMGOI-GROYHEBESA-N 362.385 2.697 0 50 FFAA COc1ccccc1N1C[C@H](NC(=O)C2(c3ccc(C)cc3)CC2)CC1=O 220531061 JBGIDMUBZXJHJE-QGZVFWFLSA-N 364.445 2.957 0 50 FFAA O=C(c1cc2ncc(CCO)cn2n1)N1CCCC[C@@H]1c1ccc(F)cc1 426443403 PLCIJVFOCQQRQW-GOSISDBHSA-N 368.412 2.771 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N1CCC[C@H](c2nccn2C)C1 82097934 BUOXUBWACSCUPL-HNNXBMFYSA-N 357.454 2.992 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1C 82121445 FGLXNZYXJCNRPF-OAQYLSRUSA-N 358.482 2.531 0 50 FFAA COCC1(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@H]2C)CCC1 82096604 BRJLEVVTGKFWAI-CYBMUJFWSA-N 350.846 2.720 0 50 FFAA Cc1ccsc1C(=O)N[C@@H]1COCC[C@@H]1OCc1c(C)noc1C 223455704 GFMPDVDHQBUIGX-CABCVRRESA-N 350.440 2.765 0 50 FFAA Cc1ncc(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c(C(C)C)n1 178698528 SZSNERFVYIIANS-UHFFFAOYSA-N 361.467 2.748 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 82091225 CNRPUSUBRDFDNZ-SFHVURJKSA-N 360.454 2.815 0 50 FFAA Cc1ccccc1CSc1nc(N)cc(N2CCC(CC(N)=O)CC2)n1 95500348 NWYBRVHXTKQOCX-UHFFFAOYSA-N 371.510 2.751 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)C2CCN(C3CCOCC3)CC2)C1 95500503 QXZGEHQPQDWQPW-SFHVURJKSA-N 374.529 2.500 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc4c(c3)CCC4)cc2C1 426643072 WSJIDMBPJQSCTK-UHFFFAOYSA-N 352.482 2.918 0 50 FFAA Cc1c(C(=O)N[C@H](c2cccnc2)C(F)(F)F)sc2nc[nH]c(=O)c12 97527932 ORBUYNOKUBPORU-LLVKDONJSA-N 368.340 2.721 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4ncnc(O)c4c3)cc2)C1 426535077 GOMJBHIGWZOAMA-QGZVFWFLSA-N 362.433 2.779 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)N(C)Cc3c(C)noc3C)ccc21 97551250 SQGYHWMMGLOFEK-UHFFFAOYSA-N 358.398 2.701 0 50 FFAA COc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ncn1 91426145 QYRSXBBOLBKYBH-UHFFFAOYSA-N 356.455 2.571 0 50 FFAA O=C(O)C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 238020695 JZZUOWHJWIYZLE-UHFFFAOYSA-N 352.228 2.804 0 50 FFAA O=C(CCNC(=O)c1ccc([C@H]2CCCNC2)cc1)NC1CCCCC1 95376150 IORBJAXJXIAFFT-SFHVURJKSA-N 357.498 2.722 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 97813778 PZTBDYZAYSBUNU-QPJJXVBHSA-N 373.460 2.943 0 50 FFAA CN1CCC(O)(C(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1 97696179 HHVAHYGRTLBYNX-UHFFFAOYSA-N 352.478 2.566 0 50 FFAA Cc1ccc(-c2nc(-c3n[nH]c4c3CN(C)CC4)n(CC(F)(F)F)n2)o1 96141975 PLVXTRBQHJSPHF-UHFFFAOYSA-N 366.347 2.787 0 50 FFAA O=C(NC[C@H]1COc2ccccc2C1)c1cnc(CN2CCCC2)s1 91424955 HOUHTLZWRHAEFO-AWEZNQCLSA-N 357.479 2.720 0 50 FFAA CCc1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)no1 91304287 BCHNFOPYFWCEIS-KRWDZBQOSA-N 368.481 2.860 0 50 FFAA C[C@H](C(=O)NNc1ccc2ccccc2n1)n1nnc(-c2ccccc2)n1 181149090 XHZPYFXRPOKSDR-CYBMUJFWSA-N 359.393 2.593 0 50 FFAA CCc1noc(C)c1C(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244594178 DHUACWJABJNILT-KHYOSLBOSA-N 356.422 2.722 0 50 FFAA O=C(CCN1CCN(c2nc3ccccc3s2)CC1)Nc1cccnc1 252488584 IVBUYYZAUNATPB-UHFFFAOYSA-N 367.478 2.842 0 50 FFAA COc1ccc(-c2cnc(CN3CCOCC4(CCOCC4)C3)o2)cc1 184108500 CTLLNQLYOPSKGK-UHFFFAOYSA-N 358.438 2.979 0 50 FFAA COCC1(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)CCCC1 534584157 JFZXAQQCJKLDKX-UHFFFAOYSA-N 374.529 2.894 0 50 FFAA CCC(=O)N[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCOc3ccccc3)[C@H]2C1 534673688 GZGNXKWWSNJSLR-PLMTUMEDSA-N 374.481 2.520 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3ccc4nc(C)oc4c3)CC2)nc1 299758498 LSNKGYILBKXSJL-UHFFFAOYSA-N 351.406 2.963 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 298617281 UFNJWSDITHCKOG-CYBMUJFWSA-N 364.492 2.707 0 50 FFAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c(Cl)cccc1Cl 299788665 ZGDDBWIVASPYBF-LBPRGKRZSA-N 372.296 2.666 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NCC2(N3CCN(C)CC3)CCCCC2)c1C 823789381 JCSCNGCBJLPNGF-UHFFFAOYSA-N 374.529 2.514 0 50 FFAA CCCc1nc(C)c(CNC2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 823015148 CFBOPJYWSVIFCX-HNNXBMFYSA-N 351.516 2.664 0 50 FFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCC(c2cc(O)no2)CC1 1875296263 NHCTUQRGUWABOW-HNNXBMFYSA-N 369.421 2.677 0 50 FFAA CN(CCN=c1nc2c(Br)csc2c[nH]1)c1ccccn1 1875335880 JUQOKCTUBNSRBQ-UHFFFAOYSA-N 364.272 2.819 0 50 FFAA C=CC(=O)N(Cc1nccn1C)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1875367385 YBTRVTNZIMXJJO-HNNXBMFYSA-N 374.485 2.724 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3[C@H]4CC[C@@H]3C[C@H](CO)C4)c12 1875321338 FBBFQFIIHAWWCI-DJAFOAKVSA-N 355.438 2.936 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1 952974012 IOBYJPIPAWECNI-QGZVFWFLSA-N 361.555 2.714 0 50 FFAA O=C(N[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@@H]1O)c1ccccc1 1565513386 TVXDJIQLGQEBRC-ROUUACIJSA-N 362.832 2.844 0 50 FFAA CCOc1ccc(CN2CCCN(C(=O)[C@H]3CCOC3)CC2)cc1Cl 1529158533 DXTPUTRHKBTISZ-INIZCTEOSA-N 366.889 2.810 0 50 FFAA O=C(c1cccnc1NCc1csc(-c2ncccn2)n1)N1CCCC1 1704298588 AFLJZDTXDUNAOC-UHFFFAOYSA-N 366.450 2.843 0 50 FFAA COc1cc(C(=O)N/C(=C/c2ccccc2)C(=O)O)cc(OC)c1OC 868178 PVKXMGUXMCAGJM-NTEUORMPSA-N 357.362 2.568 0 50 FFAA biogenic CCc1cnc(N2CCCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2)nc1 1775980588 DKFVQYVAMAJPIZ-INIZCTEOSA-N 370.501 2.659 0 50 FFAA O=C(O)c1cc(O)cc(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c1 1772711057 YMCCGKAEKWOQLQ-UHFFFAOYSA-N 373.796 2.983 0 50 FFAA CN(Cc1ccsc1)C(=O)[C@@H]1CCC(=O)N(CCc2ccccn2)C1 11821285 JWFUFIPPOREFIF-MRXNPFEDSA-N 357.479 2.583 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 12580465 ZPDFFVMGJJXWMV-HXUWFJFHSA-N 353.418 2.738 0 50 FFAA CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CC)cc2)cc1 13673113 GSSVQKJHRHFHHZ-UHFFFAOYSA-N 362.451 2.777 0 50 FFAA Cc1cnnn1-c1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)cc1 13733859 KXMQMAUKFLSUQE-UHFFFAOYSA-N 359.393 2.717 0 50 FFAA CC(C)CN1C[C@@H](OCc2ccccc2)CN([C@@H]2CCSC2)CC1=O 14541338 NGOSMZIUSRXQJD-MOPGFXCFSA-N 362.539 2.878 0 50 FFAA CSc1nnc(CNC(=O)[C@H]2CCOC(C)(C)C2)n1Cc1ccccc1 14987465 QAHPQTCHTVBCQD-HNNXBMFYSA-N 374.510 2.870 0 50 FFAA O=C(c1c(F)cccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16384094 YPEHHPBINOHVIT-UHFFFAOYSA-N 360.360 2.652 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc1 19790837 ZEMRBBGYXDQHRM-FQEVSTJZSA-N 356.514 2.910 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@H]4CO[C@H](C(C)C)CN4C3)n[nH]2)s1 1857714810 MXDXDQZBPCGGIN-KEYYUXOJSA-N 374.510 2.674 0 50 FFAA O=C1C[C@H]2N(Cc3ccccc3OCc3ccccc3)CC[C@]23OCCN13 1857714819 NCWWBXPKBLVPKV-IRLDBZIGSA-N 364.445 2.799 0 50 FFAA COCC1(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)CCC1 1857725619 GDKFIQXSRIFXAG-UHFFFAOYSA-N 353.466 2.831 0 50 FFAA FC(F)(F)Cn1nc(-c2ccccn2)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857738200 WMMALAQLEDUHHZ-IACUBPJLSA-N 367.375 2.527 0 50 FFAA Cc1cscc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328618498 DTEVVMLRBYOKFT-INIZCTEOSA-N 358.467 2.660 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C12CCOCC2 332966830 ZMPIEVRJHIMXCW-KZNAEPCWSA-N 352.519 2.587 0 50 FFAA CSc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccn2)C3)cs1 247491103 BLWZXCJXQVARMX-ZFWWWQNUSA-N 374.535 2.997 0 50 FFAA O=C(CN1CCOC2(CCOCC2)C1)N[C@@H](c1ccccc1)C1CCCC1 135596674 MNPROXVWIATPQG-NRFANRHFSA-N 372.509 2.916 0 50 FFAA CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@@H](CC(N)=O)C3)c2)cc1 151677527 FEEZZSDJMYXRIR-HNNXBMFYSA-N 366.465 2.542 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)Nc3ccc(F)cc3F)C1)CC2 1704303326 GVLSLYOALXFMKH-GOSISDBHSA-N 359.380 2.849 0 50 FFAA CCCc1c(C(=O)OCc2cnnn2C)nnn1-c1cccc(C(C)C)c1 809129148 QQHWAQJRTICKDY-UHFFFAOYSA-N 368.441 2.829 0 50 FFAA C[C@H]1C[C@@H](NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CCS1 931697632 XQVBXTLLFUMTSR-IUCAKERBSA-N 350.366 2.823 0 50 FFAA Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCO[C@H](C(=O)O)C1 840995712 MTTBUMYLCVVDFW-AWEZNQCLSA-N 370.236 2.773 0 50 FFAA Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2nccs2)c(C)c1 717124 WXSMXQOHUOIUAK-UHFFFAOYSA-N 360.468 2.775 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)cc1 913302 PDUROYVXPFPVNV-INIZCTEOSA-N 370.361 2.690 0 50 FFAA O=C(C[C@@H]1CSCCN1)Nc1ccc2nnc(-c3ccc(F)cc3)n2c1 2325778640 HTNBOIHIEXBSAF-OAHLLOKOSA-N 371.441 2.569 0 50 FFAA N[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 2325857655 KIQJGFYSZYVLGR-FQEVSTJZSA-N 350.397 2.916 0 50 FFAA COc1ccc(CCNC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1OC 2291125 LNSYHTUJWZZIST-KRWDZBQOSA-N 371.433 2.696 0 50 FFAA biogenic CCCN1CCC[C@@]2(CCCN2C(=O)Cc2cc(F)cc(F)c2)C1=O 2356139039 KVOITVFJFHTWDI-LJQANCHMSA-N 350.409 2.901 0 50 FFAA O=C(Nc1ccc(F)cc1)N[C@@]1(C(F)(F)F)N=C2C=CC=CN2C1=O 2863640 JUNRSATYSKUUJK-AWEZNQCLSA-N 354.263 2.530 0 50 FFAA Fc1ccc(N2CCC(N3CCc4nc(C5CC5)nn4CC3)CC2)cc1F 2356163452 DQRGUZXZFDJICT-UHFFFAOYSA-N 373.451 2.961 0 50 FFAA Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc1C 8333518 QPXTYJHRYSCLML-UHFFFAOYSA-N 372.450 2.820 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)Cc1nc(-c2cccnc2)no1 55255177 UVZBOJVXZYVOHV-KRWDZBQOSA-N 368.393 2.706 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)CCSc1ccc2c(c1)OCCO2 55227156 SOYMCDUIALKFRA-AWEZNQCLSA-N 361.467 2.732 0 50 FFAA CC[C@@H]1CN(Cc2cncn2CCOC)CCC(=O)N1Cc1ccccc1 71748525 DIBJINCWLGPRHU-LJQANCHMSA-N 370.497 2.543 0 50 FFAA CN(Cc1nc(C2CC2)no1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 65398878 JLQJSLAKZFPYKJ-UHFFFAOYSA-N 354.410 2.958 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H]1CC(Cc2ccccc2)=NO1 12242367 VLDRVHPJUDWGRM-LJQANCHMSA-N 352.438 2.635 0 50 FFAA Cc1noc(-c2ccccc2C(=O)N2CCN(c3ccccc3O)CC2)n1 151279226 GGWWJXBYRBHFDR-UHFFFAOYSA-N 364.405 2.713 0 50 FFAA OCC[C@H]1CN(c2nc3ccccc3o2)CCN1CCc1ccccc1 72475232 JUKQTFMKQPPDTR-SFHVURJKSA-N 351.450 2.944 0 50 FFAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 253419050 QVJHJIPFQBNTIR-ZGXWSNOMSA-N 370.493 2.841 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1noc2c1CCCC2 216169446 JLRSPGCTDHKRLD-OAHLLOKOSA-N 357.458 2.566 0 50 FFAA Cc1c(CC(=O)NCc2ccco2)c2c(n1C[C@H]1CCCO1)CCCC2=O 12716688 LZZBHIQAHABIJY-MRXNPFEDSA-N 370.449 2.946 0 50 FFAA Cc1nc2ccccc2c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1C 368332612 ONMKTLZQVBDUDF-FQEVSTJZSA-N 352.438 2.666 0 50 FFAA C[C@H](N)[C@@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 156406542 SDTQAMXSDXWOIZ-LSDHHAIUSA-N 350.890 2.974 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1nnc2n1CCCCC2 376546569 QAXSSKPHBORIJV-CQSZACIVSA-N 355.490 2.830 0 50 FFAA CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 130841244 BJUAYKIUMFKCMI-MSOLQXFVSA-N 353.422 2.605 0 50 FFAA Cc1cnc2c(c1)N(C(=O)c1nn(C(C)C)c(=O)c3ccccc13)CCO2 126084638 BPKDWYXTMJZRIB-UHFFFAOYSA-N 364.405 2.720 0 50 FFAA C[C@H](C(=O)NC1CCN(C(=O)N2CCCCC2)CC1)c1ccc(O)cc1 216206425 PPVHKGUOECRPBD-HNNXBMFYSA-N 359.470 2.682 0 50 FFAA O=C(O)COc1ccccc1CN1CCC(OCc2cccnc2)CC1 215149749 UTAXNRADCOZCKH-UHFFFAOYSA-N 356.422 2.726 0 50 FFAA CN(C)Cc1nnc(C2CCN(c3ncccc3C(F)(F)F)CC2)n1C 77542200 AFIUSNSFTJHQAL-UHFFFAOYSA-N 368.407 2.675 0 50 FFAA CNc1nc(C)c(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)s1 77487761 AQDPCONZLXRUCC-INIZCTEOSA-N 359.495 2.949 0 50 FFAA CC(CO)(CO)C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 127489216 CYDRHNFJWFYGAD-UHFFFAOYSA-N 358.265 2.990 0 50 FFAA C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)C[C@H]1COc2ccccc2O1 239274915 AXPGJISHMCSIKT-HIFRSBDPSA-N 370.405 2.514 0 50 FFAA CC(C)Nc1ncc(CN2CCCN(C3Cc4ccccc4C3)CC2)cn1 77439717 JEOVINQOKBXBIK-UHFFFAOYSA-N 365.525 2.972 0 50 FFAA C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](N2C(=O)[C@H]3CCCCN3C2=O)C1=O 333562167 QTURXXPUWOVLOH-IAOVAPTHSA-N 373.428 2.694 0 50 FFAA CCc1nc(C)c(CC(=O)N2CC[C@H](c3ccccc3Cl)C2)c(=O)[nH]1 219404899 CYLIYJOSFJKEJS-ZDUSSCGKSA-N 359.857 2.853 0 50 FFAA C[C@@H](CNc1nccc(-c2cc(C(=O)O)ccn2)n1)Oc1cccnc1 72418280 HJMWEDHSASRESR-LBPRGKRZSA-N 351.366 2.511 0 50 FFAA Cc1cnc([C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C2CC2)s1 173485907 USFMRVXFQYBUQI-AWEZNQCLSA-N 366.464 2.652 0 50 FFAA C[C@H](CCc1ccccc1F)C(=O)N(CCC(=O)O)C1CCOCC1 237520809 VYLVMIPSDYNUHG-CQSZACIVSA-N 351.418 2.877 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccncc3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72170255 WZRZNGDZLKPFPM-PWRODBHTSA-N 363.461 2.793 0 50 FFAA CCN1CCC[C@H]1CN1Cc2c(C(=O)N3CCC(F)CC3)cccc2C1=O 72475543 DUIJEEOLTNQPPV-INIZCTEOSA-N 373.472 2.701 0 50 FFAA CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(-c2ccccc2)on1 285019586 MJXYANAYQWVZDS-QGZVFWFLSA-N 363.483 2.635 0 50 FFAA C[C@@H](O)CN1CCC(CN(C)C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 455824611 KBOZBGOGXVJYQF-MDASCCDHSA-N 364.917 2.995 0 50 FFAA O=C(O)CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)cc2)CC1 223559893 FMAGUBPMMSYHKX-UHFFFAOYSA-N 356.397 2.772 0 50 FFAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NCc1cnc2cnccn12 221339644 RVQZMAIRAHPYSZ-UHFFFAOYSA-N 350.422 2.692 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)NCCc3cccc(O)n3)n2)c1 426573131 MNVFFCFOWQYYSI-UHFFFAOYSA-N 366.421 2.827 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)n(C)n1 82114709 XBQVOQPHUUHZIA-OAHLLOKOSA-N 354.454 2.749 0 50 FFAA O=C(O)C[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 178277163 DEENHNJLLYEVMR-INIZCTEOSA-N 356.353 2.656 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)no1 426740621 UYEWHVDABJEAMF-NSHDSACASA-N 356.386 2.639 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc(C)c2)CC1 220385725 PPPZBHXVMDCHRJ-MOPGFXCFSA-N 357.498 2.632 0 50 FFAA CCc1[nH]nc2c1CN(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)CC2 426495899 ZUJHESGUIMWCDS-UHFFFAOYSA-N 368.416 2.946 0 50 FFAA CC(C)n1cc(CNC(=O)N2CCN(c3ccc(F)cc3F)CC2)cn1 426399250 PQSQENWPBJAYMG-UHFFFAOYSA-N 363.412 2.774 0 50 FFAA Cc1cc(N2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)nc(C)c1C#N 96164259 PNDGNHLPJYPDEG-IIBYNOLFSA-N 368.481 2.726 0 50 FFAA O=C(CCN1CCCCC1)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 97759397 VZBZULCPMSVTLH-UHFFFAOYSA-N 356.445 2.977 0 50 FFAA Cc1nnc(SCCCNC(=O)N(C)CCc2c(C)n[nH]c2C)s1 426496653 GVEZANFFWPZYCB-UHFFFAOYSA-N 368.532 2.553 0 50 FFAA Cc1ccc2[nH]c(CNCC3CCN(C(=O)C4CC4)CC3)cc(=O)c2c1 91586840 NGZZOEDIDOPKLB-UHFFFAOYSA-N 353.466 2.575 0 50 FFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCCC[C@H]2c2ccco2)c1 97360158 IBMZHJHOQYXWOB-HNNXBMFYSA-N 366.414 2.824 0 50 FFAA O=C(C[C@H]1CCc2ccccc21)NCCS(=O)(=O)c1ccc(F)cc1 91651033 QOCDCLUFXOYOCU-OAHLLOKOSA-N 361.438 2.836 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H](c3ccc(F)cc3)N(C)C)CC2)cc(C)n1 95356392 XZZSJAREDXHQLT-FQEVSTJZSA-N 370.472 2.789 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC[C@@]1(O)C1CCOCC1 91486999 IUVDTIPLCCHVBX-VFNWGFHPSA-N 369.465 2.716 0 50 FFAA CN1CCC[C@@H](CCC(=O)NCCc2csc(-c3ccncc3)n2)C1 91586160 RIVYGDSVLVWXMT-HNNXBMFYSA-N 358.511 2.986 0 50 FFAA COc1ccc([C@H](N)Cc2ncnn2Cc2ccc(C)cc2)cc1OC 95379969 ILLUPTNURBKEMD-QGZVFWFLSA-N 352.438 2.895 0 50 FFAA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1ccc3[nH]ccc3c1)CC2 91550845 QFSPBFSLVVPWOQ-HNNXBMFYSA-N 369.465 2.846 0 50 FFAA Cc1nc2ccc(C(=O)NC[C@H]3CC(=O)N(C4CCCC4)C3)cc2nc1C 91621317 LMHBVVXFKDWEOX-OAHLLOKOSA-N 366.465 2.768 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)Cc1ccc3[nH]c(C)nc3c1)C2 95524990 KXCUNCGJESRWMT-HNNXBMFYSA-N 365.433 2.790 0 50 FFAA CSc1ccccc1CN1CCC2(CCC(=O)N(CC(=O)O)C2)CC1 91657273 CYHVQQYTCZRCOX-UHFFFAOYSA-N 362.495 2.698 0 50 FFAA CCN(C)S(=O)(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 244773746 PFQUROGAQXKPQW-LJQANCHMSA-N 370.478 2.707 0 50 FFAA Cn1cc(N2CC[C@@H](N3CCc4ccc(C(C)(C)C)cc4C3)C2=O)cn1 182252853 RZTKPQMGHXPNFR-LJQANCHMSA-N 352.482 2.881 0 50 FFAA COc1ccccc1CCCS(=O)(=O)Cc1nc(CC(C)C)no1 182354432 YTRDFZJOXLVMHC-UHFFFAOYSA-N 352.456 2.824 0 50 FFAA O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1cnc([C@H]2CCCO2)s1 182445916 WTLWEJANOIBNFY-GFCCVEGCSA-N 360.370 2.623 0 50 FFAA COC[C@@](C)(CCO)NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 182875017 RUNVDJBLKLDPDI-OAQYLSRUSA-N 373.497 2.988 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)NCC(C)(C)N(C)C)C2)c1 534655164 WXQSUPZYOULGPF-MRXNPFEDSA-N 363.502 2.836 0 50 FFAA COCC(=O)Nc1cc(NC(=O)N(C)C2CCSCC2)ccc1OC 299774332 HBHUILLWJSGKBY-UHFFFAOYSA-N 367.471 2.639 0 50 FFAA CCc1cccc(C)c1N1C[C@@H](C(=O)N(CC)Cc2noc(C)n2)CC1=O 299780615 BBLLKWCNNSRJKG-INIZCTEOSA-N 370.453 2.650 0 50 FFAA O=C(O)c1cc(O)cc(C(=O)NCCC2CCN(C3CCCC3)CC2)c1 828909933 QSFHWVBOAGBUPF-UHFFFAOYSA-N 360.454 2.865 0 50 FFAA CSCc1nc(CNC(=O)N2CCC[C@H](c3ccncn3)C2)cs1 584900339 BROGZJQJMFPTSF-LBPRGKRZSA-N 363.512 2.885 0 50 FFAA CN1CCN(C)[C@@H](CNC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 584895918 JLUVKXJVLSRHCY-NRFANRHFSA-N 366.509 2.741 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 670471463 BVMYTFYLIXLWJC-CYBMUJFWSA-N 370.902 2.718 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 268095512 VLBJEQRRIWHRRF-IMFGXOCKSA-N 367.424 2.756 0 50 FFAA Cc1cc(CO)oc1C(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848792 USWRBBJZJQFASI-CABCVRRESA-N 358.442 2.588 0 50 FFAA COC(=O)[C@@H](CNC(=O)CCc1cscn1)Cc1ccc(F)cc1C 1875383410 SHWXKHOJUJNNLF-CQSZACIVSA-N 364.442 2.671 0 50 FFAA COc1cccc(CC(=O)N[C@H]2CCN(C(=O)c3ccsc3C)C2)c1 1875342050 VKOBVDFWJDRLIL-HNNXBMFYSA-N 358.463 2.639 0 50 FFAA O=c1oc2cc(N=c3[nH]nc(-c4ccon4)s3)ccc2n1CC1CC1 1875404340 FWWBRYVEFFTIMS-UHFFFAOYSA-N 355.379 2.677 0 50 FFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)C3CC3)cc2)n1 888093343 BWHURBXHOGJOGN-ZDUSSCGKSA-N 374.466 2.879 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)CCC2 888102457 GCLYFIWTMWRGLA-GUDVDZBRSA-N 374.510 2.681 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3ccc(-c4cc[nH]n4)s3)C2)N1CC1CC1 1565530050 JXTFUDDRSGMDJZ-CABCVRRESA-N 356.495 2.971 0 50 FFAA Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C 170086151 VHPLUDPYDFBBBY-NWDGAFQWSA-N 365.524 2.707 0 50 FFAA CN(CC(=O)O)[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 186655777 SKUHLEGCZYHLNM-OAHLLOKOSA-N 372.387 2.645 0 50 FFAA O=C([C@H]1CC=CC[C@H]1c1nc(Cc2cccc(F)c2)no1)N1CCOCC1 278986381 KOOZOAQTIKEUQV-SJORKVTESA-N 371.412 2.708 0 50 FFAA COc1c(C(=O)N2CCN(C3CC3)c3ccccc32)cnc2c1cnn2C 186789628 VLZNQWAUEXYTLC-UHFFFAOYSA-N 363.421 2.606 0 50 FFAA C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)nc1)C(C)(C)c1ccccc1 170824249 HJCMGKBOICPEGO-ZDUSSCGKSA-N 361.467 2.973 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3ccc(Cl)cc3n2)CCN1CC(C)(C)O 188677339 XYGRIKNGMQFHSJ-CYBMUJFWSA-N 361.873 2.805 0 50 FFAA Cc1cccc(CN(Cc2ccccn2)C(=O)c2[nH]nc3c2CNCC3)c1 188759003 OYIRHTRPGYJJEY-UHFFFAOYSA-N 361.449 2.601 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1 190509756 XKBCIPIYDCWANR-CXAGYDPISA-N 352.438 2.602 0 50 FFAA CC(C)C[C@H](C(=O)OCC(=O)N(C)C1CCCCC1)N1CCCCC1=O 756576827 IVKUMOHARLUOOW-QGZVFWFLSA-N 366.502 2.748 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](c2nccn2C)C(C)C)cc1Cl 1506402100 UIHRIRUTHXHYBW-AWEZNQCLSA-N 357.863 2.758 0 50 FFAA O=C(O)[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC12CCOCC2 1800410574 VXIVQILEUUROQQ-CQSZACIVSA-N 371.355 2.588 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2cc(C)no2)CC1 1704299466 SBXFIVXQTUCBJS-UHFFFAOYSA-N 356.422 2.625 0 50 FFAA O=C(c1cncc(Cl)c1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704351885 STXPMRQDCMUQLK-DNVCBOLYSA-N 367.836 2.959 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H](C)Oc1cccc(Cl)c1 1704335539 BLQGIQRAKWMGTN-CQSZACIVSA-N 364.877 2.729 0 50 FFAA Cc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C 793430 RXIPSEZHMRTVDS-MRXNPFEDSA-N 366.417 2.701 0 50 FFAA O=c1oc2ccccc2n1CCN1CCC(Cc2ccc(O)nc2)CC1 1772814427 YLWKMJOFFGDFSO-UHFFFAOYSA-N 353.422 2.650 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NCc2cccc(O)c2)C1 11838264 GWOMCMZZDKKMFK-SFHVURJKSA-N 368.481 2.822 0 50 FFAA Cc1c(CC(=O)N[C@H](C)CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O 11878778 QXGRGGVIKVLMRK-CYBMUJFWSA-N 372.440 2.542 0 50 FFAA CSc1nnc(CNC(=O)c2csc(C)n2)n1-c1ccc(F)cc1 12022199 VBAIPZGVJPHHAB-UHFFFAOYSA-N 363.443 2.823 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](CCCc2ccccc2)C1 12192076 MUBCVXDDYPRPLY-KRWDZBQOSA-N 350.422 2.822 0 50 FFAA CCc1nc(C)c(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)o1 14968799 KVWIUYGAPZPIJO-INIZCTEOSA-N 355.438 2.509 0 50 FFAA Cc1cccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)c1 14993539 NVCZXMLXFAYWNX-GOSISDBHSA-N 353.470 2.660 0 50 FFAA COc1ccc(CNC(=O)C2CCN(C(=O)[C@@]3(C)CCCCO3)CC2)cc1 19114203 KQNMYLVHDXTGRQ-OAQYLSRUSA-N 374.481 2.509 0 50 FFAA Cc1ccccc1-c1ccc(CN2CC[C@@H](N3CCOCC3)[C@H](O)C2)cc1 19595558 YZCNVUAYRKHHNC-DHIUTWEWSA-N 366.505 2.929 0 50 FFAA C=CC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 5494967 FDMHQFIKKCRCPC-JTQLQIEISA-N 352.674 2.972 0 50 FFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)CCOc2ccccc2)CC1 1857716083 VQSRBVCRSAUZOE-UHFFFAOYSA-N 367.449 2.766 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)no1 1857735117 IUQDXGMFYCMINH-OALUTQOASA-N 355.438 2.661 0 50 FFAA CCc1ccccc1OCC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 116781695 VVPMQLXUNGOYBA-QGZVFWFLSA-N 356.470 2.775 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 262471935 JOFMZHSFMOJATB-BRWVUGGUSA-N 367.401 2.546 0 50 FFAA CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H](N2CCCC2=O)C1 2325780008 YUBRYLIIPLJEHW-CQSZACIVSA-N 360.502 2.773 0 50 FFAA CC(C)(C)c1ncc(S(=O)(=O)N[C@@H](c2cccnc2)c2ccccn2)o1 2325808742 IUHOSHBHBHDROL-INIZCTEOSA-N 372.450 2.830 0 50 FFAA CN1CCO[C@@H](CN(C)Cc2nc3cccc(F)c3n2-c2ccccc2)C1 2325858805 BCTMMIGUDRGUAS-QGZVFWFLSA-N 368.456 2.927 0 50 FFAA CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(CCc2ccccc2)C3)c(C)n1 2356157408 JSPDYCUVXPKKLH-HNNXBMFYSA-N 364.453 2.616 0 50 FFAA Cc1csc(Cc2nnc3n2[C@@H](C)C(=O)N(CCc2ccccc2)C3)n1 2356159889 UKGCRVRZGPYULP-AWEZNQCLSA-N 367.478 2.780 0 50 FFAA Cc1cc(=N[C@@H]2COC[C@H]2Cc2ccncc2)[nH]c(-c2ccccc2O)n1 2356163740 PFTFSTXAHWEVTQ-SJLPKXTDSA-N 362.433 2.644 0 50 FFAA CCCC(=O)Nc1ccc(CC(=O)NCCNc2ncccc2C)cc1 55344402 IAFMJWRUPFDTIH-UHFFFAOYSA-N 354.454 2.899 0 50 FFAA Cc1c(NCc2ccc([Si](C)(C)C)cc2)cccc1C(=O)NCCO 225828446 URMNUKIRIAPEOD-UHFFFAOYSA-N 356.542 2.874 0 50 FFAA COc1ccc(OC)c(CN(C(=O)C[C@H]2CCC(=O)N2)C2CCCC2)c1 55568847 CYYNCOWZOLVBJJ-OAHLLOKOSA-N 360.454 2.644 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 101238009 CYSHXVTZOQJHRF-GRDNDAEWSA-N 354.903 2.835 0 50 FFAA CC(C)c1cc(C(=O)NCc2ccccc2CN2CCCC2=O)n(C)n1 65417669 BQTFNCVZROPFMO-UHFFFAOYSA-N 354.454 2.596 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 72165834 CHKLZIIPDJZWHR-HXUWFJFHSA-N 351.406 2.724 0 50 FFAA COCCc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 171910941 XFOIKFZRVWVCPU-UHFFFAOYSA-N 350.806 2.651 0 50 FFAA CC(C)c1nn(C)c2c1[C@H](c1ccc(Sc3nncn3C)o1)CC(=O)N2 65406129 CEVGHOSJHNQQSD-JTQLQIEISA-N 372.454 2.890 0 50 FFAA CN1CCC2(CC1)CCN(C(=O)c1cccc(Oc3ncccn3)c1)C2 65397093 WRPXLGVOUBMHLM-UHFFFAOYSA-N 352.438 2.827 0 50 FFAA CN1CCCC2(CC1)CCN(C(=O)c1cc3ccccc3n(C)c1=O)CC2 67473478 DQHBWTNOSLACIV-UHFFFAOYSA-N 367.493 2.877 0 50 FFAA O=c1[nH]cc(CCn2cnc(-c3ccccc3)c2-c2ccsc2)c(=O)[nH]1 67714624 KZBRQBWUESEALW-UHFFFAOYSA-N 364.430 2.898 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H](c1cccnc1)N1CCCC1 67472874 ZHTBVUQQFRTMMR-LJQANCHMSA-N 353.470 2.527 0 50 FFAA COc1cc(C(C)=O)ccc1OCc1cc(C(=O)NCC(F)(F)F)no1 67773993 YFLWAAUNAUGTNZ-UHFFFAOYSA-N 372.299 2.757 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(N2CCCCC2)n1 64799753 VHGWRCQDLTUTCU-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA Nc1nc(CNC(=O)c2coc(COc3cccc(F)c3F)n2)cs1 67740112 AOEZAGRBUAFODE-UHFFFAOYSA-N 366.349 2.501 0 50 FFAA Cc1c(C(=O)N2CCN(C)CC23CCCCC3)nnn1-c1ccccc1 330108783 OCNDBAWWMJSPDQ-UHFFFAOYSA-N 353.470 2.666 0 50 FFAA COCCN1C[C@@H](Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC1=O 219247477 KIZMWMYGKOMIOK-KRWDZBQOSA-N 373.474 2.557 0 50 FFAA O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccnc(-n2cccn2)c1 152269969 KYXSJIMQFCZOLO-IBGZPJMESA-N 361.449 2.662 0 50 FFAA Cc1ccc(F)c(Cn2nc([C@H]3CCCNC3)n(-c3ccccc3)c2=O)c1 71756774 DEKWOLAPOCLUKC-INIZCTEOSA-N 366.440 2.997 0 50 FFAA Cn1c(C2CC2)nc2cc(CNC(=O)c3ncn(-c4ccccc4)n3)ccc21 328591547 BBRXCDWJOIYYIB-UHFFFAOYSA-N 372.432 2.961 0 50 FFAA CCCc1oncc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72121874 CRHMPKOZZVTEKI-SFHVURJKSA-N 353.466 2.942 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 77426790 SNYILRCYDKIJHF-UHFFFAOYSA-N 360.889 2.741 0 50 FFAA O=S(=O)(CCN1CCC[C@H](C[C@@H]2CCOC2)C1)Cc1ccccc1 373065843 LEXDYOHGGROVDO-MOPGFXCFSA-N 351.512 2.740 0 50 FFAA O=C(NC[C@H]1CCC[C@@H](O)C1)NC1CCN(CCc2ccccc2)CC1 173740784 ZQXMAFXISVZCKY-AZUAARDMSA-N 359.514 2.544 0 50 FFAA CSc1ncc(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1C 72431845 YLKQEJUOTQHNFR-UHFFFAOYSA-N 369.494 2.803 0 50 FFAA CNC[C@@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237153565 RRCUHWRVPVPGOY-INIZCTEOSA-N 367.478 2.820 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCC[C@@H]1CCN(C)C 72458134 ZORDETVUVWTZIM-QGZVFWFLSA-N 353.470 2.793 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)CCOc1cccc(C)c1 284787973 RBRXOBYEHLACOY-QZTJIDSGSA-N 357.454 2.826 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cc2)n1 237745647 IERWBAYNEFRYMF-PMPSAXMXSA-N 355.394 2.903 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-n2ccnc2)cc1 223634732 WLBXBOQDHFZQTO-RTBURBONSA-N 355.438 2.742 0 50 FFAA CCOCCOc1cccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1 82109121 HJKVUYXCXNCMGV-UHFFFAOYSA-N 368.433 2.591 0 50 FFAA Cc1nnc(CCNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)s1 426549895 IFNHXRPGYGSFHT-CQSZACIVSA-N 359.373 2.825 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1conc1-c1ccccc1 426544580 YQGCGPJSYATMKM-KRWDZBQOSA-N 355.438 2.715 0 50 FFAA CC(=O)c1cn([C@H](C)C(=O)NCCCn2ccccc2=O)c2ccccc12 426651960 FDQGDPLIDDWYPC-OAHLLOKOSA-N 365.433 2.773 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1 426597197 IPIRGLSUSOGXKP-MRXNPFEDSA-N 370.497 2.582 0 50 FFAA Cn1ccnc1CNC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 426652919 LZJTZNYYPHXHLZ-AWEZNQCLSA-N 360.845 2.878 0 50 FFAA CNC[C@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 179020023 YTYJCOCFEZVIOJ-GFCCVEGCSA-N 352.360 2.573 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2COc3ccccc3C2)n1 91616814 OIHXKGJPTFGRBF-ZDUSSCGKSA-N 365.355 2.714 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3nc(C4CC4)no3)CC2=O)cc1 91519208 GREROSSXKRUCBX-OAHLLOKOSA-N 368.437 2.740 0 50 FFAA COCCC[C@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 95385879 UVGNOULPAXFGMH-LJQANCHMSA-N 373.541 2.713 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 91907502 ZUZIGWBAMPFCOB-QGZVFWFLSA-N 362.499 2.636 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)CCc3ccc(N(C)C)cc3)[C@H]2C1 426549062 FZJNHZKPWCXRLR-SVFBPWRDSA-N 360.498 2.870 0 50 FFAA CCc1ccc(S(=O)(=O)NC2CCN(CC3CC3)CC2)cc1CC 179284844 WHOQDSYGTRQDJW-UHFFFAOYSA-N 350.528 2.964 0 50 FFAA Cc1ccc(-c2ccc(CN3C[C@@H](CN4CCOCC4)[C@@H](CO)C3)cc2)o1 91818176 FNCNSHSMVLSPAO-NHCUHLMSSA-N 370.493 2.628 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N(CC)CCn1cccn1 96131457 MZVXGLUURVBNPG-UHFFFAOYSA-N 353.430 2.580 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCc2ncc[nH]2)C1 91997930 HEWCQVUDHYOCPF-HXUWFJFHSA-N 355.438 2.942 0 50 FFAA CCOc1ccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(F)c1 96141504 XZBMIEBEEBBYCI-HNNXBMFYSA-N 365.449 2.801 0 50 FFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2)CC1 95531299 KLBRBGGYNKKNBX-UHFFFAOYSA-N 374.481 2.765 0 50 FFAA Cc1cc(C)c2[nH]c(CN3CCC(N4CCOC4=O)CC3)cc(=O)c2c1 91635831 RLXDFRYVZOQUJT-UHFFFAOYSA-N 355.438 2.562 0 50 FFAA CN1CCCCC[C@H]1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 91604271 NOGMCNKMRKIIGV-NRFANRHFSA-N 355.526 2.563 0 50 FFAA Cc1cnn([C@@H](C)c2nc(Cn3cncn3)nn2-c2ccccc2Cl)c1 96161995 VCABDGJWUUDZJI-ZDUSSCGKSA-N 368.832 2.675 0 50 FFAA CCc1cc(-c2nc(CC(N)=O)nn2Cc2c(F)cccc2Cl)ccn1 96150926 XQOAMKDDHYLQHG-UHFFFAOYSA-N 373.819 2.771 0 50 FFAA O=C(CCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1)NC1CCCC1 95361094 IRRFFYUGBZQKOX-KRWDZBQOSA-N 372.465 2.930 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(CCCc1cccnc1)CC2 91526876 FFXNUESUGINEFZ-UHFFFAOYSA-N 359.514 2.755 0 50 FFAA COc1cccc([C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)O)c1 91896480 AOPSLFBKFGHEFP-DLBZAZTESA-N 355.390 2.724 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2C1)c1ccccc1N1CCOCC1 91694429 SXODXENISLDYIX-MRXNPFEDSA-N 352.434 2.504 0 50 FFAA CC(C)(C)[C@@H](NC(=O)c1nn(CCCCCF)c2ccccc12)C(N)=O 96024531 SOYDDJYBRCNNIT-INIZCTEOSA-N 362.449 2.806 0 50 FFAA in-vitro CC(C)c1cc(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)nc2ncnn12 244718842 LRYFSTKUBQECMT-BFQNTYOBSA-N 371.466 2.551 0 50 FFAA C[C@H](NC(=O)CCc1ccc(C(=O)O)cc1)c1ccc2c(c1)NC(=O)CO2 299748368 HDBGQBOVQPOKAN-LBPRGKRZSA-N 368.389 2.526 0 50 FFAA Cc1cccc(-c2noc([C@H](C)NC(=O)N3CCc4nc(C)[nH]c4C3)n2)c1 534652404 FVEXHYQNUGGXNK-LBPRGKRZSA-N 366.425 2.905 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(=O)cc(C)n1C 299778488 QKJXNXUOJYNKGX-MRXNPFEDSA-N 356.422 2.735 0 50 FFAA CC1(C)SC[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)NC1=O 299795916 MHZAUGZAFCQDEI-AWEZNQCLSA-N 373.478 2.544 0 50 FFAA CCCN1CCOC2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C1 822921703 SIXVAQGISNRYGH-UHFFFAOYSA-N 370.497 2.599 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(Cc2ccnn2C)CCO3)s1 825199530 UXIAXHWWMLUCCD-UHFFFAOYSA-N 360.527 2.657 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 861562551 RLDIKQVIAMAPCT-INIZCTEOSA-N 358.335 2.747 0 50 FFAA COCCN(C(=O)NCc1cc(-c2ccc(F)cc2F)on1)C1CC1 1875269867 LGKNFIFIAOAKIN-UHFFFAOYSA-N 351.353 2.940 0 50 FFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(OCc3cccnc3)cc2)cn1 1875381889 KGSMQUPOPHCRDC-HOYKHHGWSA-N 350.422 2.657 0 50 FFAA Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c2c(C)noc2n1 952972068 PSNRCLOLPRSKFP-NSHDSACASA-N 366.377 2.836 0 50 FFAA COc1cccc(Cl)c1[C@@H]1CN(C(=O)c2ccn3nncc3c2)CCO1 1875308778 WIYFEFAVSRQHIM-INIZCTEOSA-N 372.812 2.605 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)c1 952980919 RYJOROUJMPKCCP-UHFFFAOYSA-N 356.474 2.856 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1)c1cncs1 1875406339 BPSRRZTYRUYQNX-HZSPNIEDSA-N 353.463 2.640 0 50 FFAA C[C@]1(NC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CCN(c2nc(Cl)ncc2F)C1 1875405565 JSLJDORFWJZKRU-VFFPBDHRSA-N 352.841 2.790 0 50 FFAA CCOc1cc(NC2CCN(C(=O)Nc3ccncc3C)CC2)ncn1 185558450 KEPMMPWMPNCZNO-UHFFFAOYSA-N 356.430 2.687 0 50 FFAA CC(C)Cc1ccc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)cc1 1565509215 SPLGHVXWZRECOD-SFTDATJTSA-N 367.493 2.645 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 1506418726 VAJTZLNXJJMKLP-HNNXBMFYSA-N 367.453 2.689 0 50 FFAA Cc1cc(N2CCC([C@H](O)c3cccs3)CC2)nc(N2CCOCC2)n1 1506399288 DHKBHVNBBGZYQK-SFHVURJKSA-N 374.510 2.633 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)N(CCO)Cc1ccco1 1506407734 JWKHFNVZFBEGFH-UHFFFAOYSA-N 350.802 2.591 0 50 FFAA Cc1cc(C[C@@H]2CN(CCOc3cccc(OC(C)C)c3)C[C@@H]2O)on1 1704358221 GQFYGYYREFFWQO-UZLBHIALSA-N 360.454 2.684 0 50 FFAA COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 1113554 TZVYDQDUSIPIRP-UHFFFAOYSA-N 374.418 2.602 0 50 FFAA NC(=O)c1ccccc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 1136632 SIZZNMGLDDCAPH-UHFFFAOYSA-N 371.400 2.831 0 50 FFAA Cc1nccn1CCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616125169 GDBPGNOGLMKONN-PXNSSMCTSA-N 364.449 2.504 0 50 FFAA CCOC(=O)[C@H](C(=O)c1cccnc1)[C@H](C(=O)OCC)c1ccccc1 3130199 HOUUXJLVTPCYJH-SJORKVTESA-N 355.390 2.791 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2ncc(F)c(N(C)C)n2)n1 1772702997 WJTCSVYYVLCBAD-SECBINFHSA-N 360.359 2.954 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC(N2CCSCC2)CC1 1772700610 FBYPBVPPVFCZML-UHFFFAOYSA-N 354.903 2.628 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCCN([C@H]2CCSC2)CC1 1775980468 YCAYVSOOECLEIU-INIZCTEOSA-N 357.479 2.995 0 50 FFAA Fc1ccc(-n2cccn2)c(CN[C@H]2CCCN(c3ncccn3)C2)c1 11818767 WQRNYJFFXIWWLD-KRWDZBQOSA-N 352.417 2.560 0 50 FFAA CCN(CC)C(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl 12003648 OTHWPJDVVDHKQF-UHFFFAOYSA-N 372.874 2.525 0 50 FFAA O=S(=O)(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1cccs1 14976022 OQPALLHVPFCFCJ-OAHLLOKOSA-N 372.475 2.956 0 50 FFAA CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 16604735 DMGGFLLHKXOOIW-GFCCVEGCSA-N 355.276 2.817 0 50 FFAA CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 18211017 BYMPWOGBTBXBHO-UHFFFAOYSA-N 364.434 2.889 0 50 FFAA CC[C@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)N1CCCC1 1857696783 COYZJNLTJACPGT-LJQANCHMSA-N 366.509 2.889 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857724980 HTPLDPHWLDRVDN-FQEVSTJZSA-N 368.437 2.785 0 50 FFAA Cc1cc(Cl)ccc1-n1nc(-c2ccccn2)nc1[C@H]1C[C@H](N)[C@@H](O)C1 1857737994 MOLVUORAUDMUSJ-JDFRZJQESA-N 369.856 2.857 0 50 FFAA CN(C)C(=O)c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)nc1 301221567 BRWPQIDLHIJZGH-UHFFFAOYSA-N 356.445 2.999 0 50 FFAA O=C(CCn1nc2ccccn2c1=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 110487082 NQHSAPHHVDIFEI-OAHLLOKOSA-N 370.840 2.556 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCCC[C@H]1c1nc(O)n[nH]1 331604675 LVPWSYOYLVMXDE-VIFPVBQESA-N 355.192 2.542 0 50 FFAA Cc1ccccc1CNC(=O)[C@H](C)N1CC[C@@H](CNc2ccccn2)C1 246159220 QRULFPQDBZALTN-ROUUACIJSA-N 352.482 2.829 0 50 FFAA COC[C@]1(C(=O)O)CCN(C(=O)c2cc3c(Cl)nccc3s2)C1 902307111 YSSRERJMLDMTBK-HNNXBMFYSA-N 354.815 2.513 0 50 FFAA CC[C@@H]1[C@@H](C(=O)N[C@H](C(=O)O)c2cccc(C(F)(F)F)c2)CCN1C 910379859 LDGIGAURATVEQB-MJBXVCDLSA-N 358.360 2.678 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@H]3COC[C@@]3(COC)C2)cc1C 2100480318 DHGGNFMZFHSLOF-RXVVDRJESA-N 361.482 2.838 0 50 FFAA FC(F)C[C@H]1CN(Cc2cnc3cc(Br)ccn23)CCN1 2325791963 MKSWSYUQLHAKJA-NSHDSACASA-N 359.218 2.526 0 50 FFAA O=C1NC[C@H](COC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)N1 2325865846 SDXYDJQDOFEFMB-SSDOTTSWSA-N 372.233 2.955 0 50 FFAA Cc1cnc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2nccnc2F)c(C)c1 2325900574 ANKJYJOWDVUQNO-GOOCMWNKSA-N 355.417 2.557 0 50 FFAA CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 687709 ZFPYBYUIXCUWAF-UHFFFAOYSA-N 350.465 2.668 0 50 FFAA COc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1 817039 OAHTUGIOALKMFG-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1 846604 UHSKSBWQSHLITK-SFHVURJKSA-N 372.446 2.539 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 1217642 QXGSPNTVAXLOFQ-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 4503080 GNWZWDQSNFZRMM-CYBMUJFWSA-N 355.369 2.776 0 50 FFAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Br)cc2C)CC1=O 8235036 VXPFRIFCBMHJOM-NWDGAFQWSA-N 369.259 2.579 0 50 FFAA Cc1cnc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)s1 10678455 XPHZWQIJBBHTMR-UHFFFAOYSA-N 360.468 2.775 0 50 FFAA COc1ccc(CC[C@H](C)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1O 225425039 LNESKZYFDMPGJL-YOEHRIQHSA-N 374.456 2.795 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)C1 59745224 PFQOLIFCXHJSQX-CYBMUJFWSA-N 365.503 2.918 0 50 FFAA Cc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2C)cc1 9594922 RMMGUICZDMFQRL-UHFFFAOYSA-N 353.451 2.594 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)OC2=C[C@@H]1NC(=O)c1ccccc1 25691108 NBBNPGKKUWNAJF-RCVZYCBYSA-N 367.401 2.786 0 50 FFAA Cc1cccc2cc(CO)c(N3CCN(C4CCCC4)[C@@H](CCO)C3)nc12 106964188 FHYYTMMKFKMMND-FQEVSTJZSA-N 369.509 2.851 0 50 FFAA Cc1ccc2nc(CN(Cc3ccncc3)C[C@@H]3CCC(=O)N3)[nH]c2c1C 67884730 TXKNNTFQQMLFST-KRWDZBQOSA-N 363.465 2.856 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)C2 67788782 CKXGOHUEGCBNQB-SFHVURJKSA-N 367.449 2.977 0 50 FFAA Cc1cnc(N2CCN(Cc3cccs3)CC2)nc1-c1ccnn1C 23620202 ZQEKCXGYZFBICA-UHFFFAOYSA-N 354.483 2.569 0 50 FFAA CCn1c(CCNC(=O)c2cccc(-n3cnnc3)c2)nc2ccccc21 65504822 KAHSWISRWHOJHX-UHFFFAOYSA-N 360.421 2.609 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCC[C@@H](C(N)=O)C3)c(C)o2)cc1C 67856058 OEZBOLZMXXVMCL-OAHLLOKOSA-N 357.454 2.973 0 50 FFAA CCn1ncnc1[C@H]1CC(=O)Nc2c1cnn2Cc1ccccc1Cl 65409513 IKSMXNBTWCGJNM-LBPRGKRZSA-N 356.817 2.670 0 50 FFAA COCC(C)(C)NC(=O)c1coc(COc2ccc3ncccc3c2)n1 67713683 DPGLSMGVBBNJHG-UHFFFAOYSA-N 355.394 2.957 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(OC)c3)cnn2c1 67983151 RYMGLONCFFAVOY-UHFFFAOYSA-N 353.426 2.832 0 50 FFAA Cc1cc(C)cc(CCC(=O)NCc2cccnc2N2CCC[C@@H](O)C2)c1 12759499 BCMARWINSWSHJN-HXUWFJFHSA-N 367.493 2.909 0 50 FFAA CNC(=O)CCCN(C)C(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 119949026 KCYQBFATOOHYIA-UHFFFAOYSA-N 373.501 2.546 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)c1coc(COc2ccccc2F)n1 11817321 YAVHKMAHFIHJJI-UHFFFAOYSA-N 374.397 2.625 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2N1CCCCO 72406816 GSWVMHPRJVCLQK-FUHWJXTLSA-N 350.890 2.925 0 50 FFAA CCC[C@@H]1CCc2sc(C(=O)N3CCc4c(nc[nH]c4=O)C3)cc2C1 71415568 IXHVVOKOAOABHF-GFCCVEGCSA-N 357.479 2.935 0 50 FFAA CN(C)c1n[nH]c(C2CCN(c3nc(-c4ccccc4)ns3)CC2)n1 328805312 KSSNLXYUOQAPRS-UHFFFAOYSA-N 355.471 2.773 0 50 FFAA COc1cccc(CN2CCN(Cc3cc(CN(C)C)cs3)CC2=O)c1 72166157 OJASPTZFAVUBNT-UHFFFAOYSA-N 373.522 2.663 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccccc3-n3cccn3)CC2)ccn1 77303513 PEGASHPTHCMYEB-UHFFFAOYSA-N 361.449 2.928 0 50 FFAA Cc1ccc(/C=C/C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1Cl 365623736 CVHTUXKJXLHEFK-CSLAMCDYSA-N 359.857 2.630 0 50 FFAA COc1ccc(CN2CCN(c3ncnc4sccc34)CC2=O)cc1 32592862 HURMZALWSAFPEU-UHFFFAOYSA-N 354.435 2.549 0 50 FFAA Cc1noc([C@@H]2COCCN2C(=O)CCCc2c[nH]c3ccccc23)n1 155556520 HUIHFNZCPSGZCA-KRWDZBQOSA-N 354.410 2.782 0 50 FFAA CC[C@@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 77379551 SBUVDLGONTUGCK-INIZCTEOSA-N 362.474 2.694 0 50 FFAA CCN1CC2(CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)CC1=O 72475253 SJIVFKSPILNQQV-UHFFFAOYSA-N 352.434 2.837 0 50 FFAA COCCN1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 123529331 BTEZRCLVOQITBS-GOSISDBHSA-N 373.497 2.797 0 50 FFAA O=C(c1ccc(F)cc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528472 VEHMGGVEAOJYLR-UHFFFAOYSA-N 369.444 2.568 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)NC3CCC(C(=O)O)CC3)cc2)C[C@@H](C)O1 237627392 BGOMWBUOUBRHSJ-MYMYQCDVSA-N 374.481 2.669 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)Cc1ccc2c(c1)OCO2 77356935 SBXCEHKZZQBCAK-UHFFFAOYSA-N 367.380 2.941 0 50 FFAA CN(C)C(=O)c1cccc(CN2CCC[C@@](CO)(c3ccccc3)C2)c1 374538900 STKFIOMCGHDGOC-JOCHJYFZSA-N 352.478 2.915 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3ncnc4ccsc34)C2)o1 375873595 IUJJXOREUDVUSA-CYBMUJFWSA-N 371.466 2.869 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 17073975 GKGMJZXJBUDAIZ-VKYMVXLJSA-N 358.438 2.599 0 50 FFAA O=S(=O)(NCc1ccccc1)NCc1cccc(C(F)(F)F)c1F 71765371 MIPVFPXQRDNGIH-UHFFFAOYSA-N 362.348 2.969 0 50 FFAA NC(=O)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cn1 458524940 QRXUFHYSDWOCAH-MRXNPFEDSA-N 360.364 2.505 0 50 FFAA Nc1nc(NCCc2cccc(C(F)(F)F)c2)cc(C2CC(O)C2)n1 223748117 CIEYWYAEENEEEF-UHFFFAOYSA-N 352.360 2.971 0 50 FFAA Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)n1 263232350 SEQHOUFVBRJJNU-SZMVWBNQSA-N 355.438 2.778 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2C[C@H]3CCCC[C@H]3C2)C1=O 133382697 OEYDJVRBBUMDNY-OWCLPIDISA-N 357.454 2.632 0 50 FFAA Cc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c2cccc(C)c2n1 82093098 ZHKFQKOEGUBUEQ-KRWDZBQOSA-N 353.466 2.788 0 50 FFAA CCCc1cc(C(=O)NCCc2nc3sc(C)c(C)c3c(=O)[nH]2)no1 82096223 UFIDHXOOHQPRPC-UHFFFAOYSA-N 360.439 2.514 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cccc(F)c3)C2=O)c1 178566728 QVBPNLLJWPFTGC-GOSISDBHSA-N 372.396 2.720 0 50 FFAA CCOc1ncccc1C(=O)N1CCCn2nc([C@@H](O)C3CCC3)cc2C1 221295416 OJPGHHOZNLUQLF-SFHVURJKSA-N 370.453 2.556 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)n[nH]2)s1 221453013 OJTVRUIZRVHTJP-LBPRGKRZSA-N 371.466 2.743 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCCCc2nc3ccccc3o2)c1C 222691829 ADVTUXDMEXAOKN-UHFFFAOYSA-N 354.410 2.593 0 50 FFAA Cc1nc2c(c(N3CCC4(CC3)C[C@H](c3ccccc3)C(=O)N4)n1)CCC2 426707498 VGDOMIBWKFWYSU-GOSISDBHSA-N 362.477 2.916 0 50 FFAA CN(C)c1cccc(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)c1 426445460 HDCALZXVCKACNP-UHFFFAOYSA-N 351.450 2.948 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(Cc2ccccc2)CC1 426412979 OSNGOVNPDIJEBF-FQEVSTJZSA-N 366.509 2.831 0 50 FFAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(-c3c(C)n[nH]c3C)cc2)CC1 426361460 YAKMASUIAWQPNR-JCNLHEQBSA-N 368.481 2.976 0 50 FFAA O=C(NCC1(O)CCC(F)(F)CC1)c1cc(-c2ccc(F)cc2)[nH]n1 426649789 WNQDFWWBFXLZRI-UHFFFAOYSA-N 353.344 2.886 0 50 FFAA Cc1ccc2nc([C@H](NC(=O)NC3(C(N)=O)CCCC3)C(C)C)[nH]c2c1 426425488 SJGOHXHKXJFYHO-OAHLLOKOSA-N 357.458 2.666 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CC(Oc3ccccc3OC)C1)CO2 92045777 ZZZHGQFXCYEGBZ-HNNXBMFYSA-N 369.417 2.545 0 50 FFAA O=C(NCc1c(F)cccc1Cl)[C@H]1CCCN(C2CCOCC2)C1 97766468 NJSCVLAYYCQXBD-ZDUSSCGKSA-N 354.853 2.986 0 50 FFAA Cc1nnsc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 95391148 RMLGKHPTPKDOFH-GVDBMIGSSA-N 354.479 2.549 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)NCc1csc(-c2ncccn2)n1 91896200 KOICNCAHRGDCFC-UHFFFAOYSA-N 356.455 2.870 0 50 FFAA Cc1cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)c2ccccc2n1 96147857 WSXZNBFSAVJHRE-FQEVSTJZSA-N 359.429 2.727 0 50 FFAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)NCc1ccc(Cl)cc1 294184541 FNLPREYZKJCXDZ-BMFZPTHFSA-N 350.846 2.674 0 50 FFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239173739 OOIMGFZNCXYCRF-BVBVUKCESA-N 364.445 2.631 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1C(=O)O 91593009 PNYZTQOVDOROBT-ZWKOTPCHSA-N 355.438 2.607 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccn(CC)c(=O)c2)C1 95527298 GDFKWJXKGLGNGF-QGZVFWFLSA-N 356.470 2.885 0 50 FFAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 248321519 UWWXGLYVHAIYSP-WVZRYYJFSA-N 367.323 2.555 0 50 FFAA CCOc1cc(Cl)ccc1C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 182046542 WCBITYUJCKBQMW-AWEZNQCLSA-N 366.889 2.969 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cc(-c2ccccn2)n[nH]1 244659414 HCFHJDBWTQOYQK-BQFCYCMXSA-N 362.433 2.584 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 526056001 QEWDHUROGRRNBG-MRXNPFEDSA-N 364.442 2.764 0 50 FFAA CCn1nc(CNC(=O)N(C)CCc2noc(C(C)C)n2)c2ccccc21 534665529 ZDYZYIVPQIBKSX-UHFFFAOYSA-N 370.457 2.947 0 50 FFAA c1ccc(N2CC[C@@H](Cn3ccnc3-c3cc4n(n3)CCCNC4)C2)cc1 72419356 YKPBHFMYRIHQFG-QGZVFWFLSA-N 362.481 2.766 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cccc(-c4nc(C)n(C)n4)c3)C2)no1 299778808 HPBIFMPBUSIUEM-INIZCTEOSA-N 366.425 2.502 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cccnc1)CC2 299799501 RPBPUDRPOFYPFP-ABSDTBQOSA-N 353.422 2.708 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3cc(=O)n(C)c4ccccc34)c2)n[nH]1 490679367 YUQXZGIAZACFDN-UHFFFAOYSA-N 359.389 2.884 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(OC(F)F)cc1 825698966 OBFDBFQBCZOTGI-LBPRGKRZSA-N 352.381 2.809 0 50 FFAA CC[C@@H](NC(=O)N(C)CC1CCOCC1)c1ccc(S(C)(=O)=O)cc1 584889062 BZBFNPIMGMCZKF-QGZVFWFLSA-N 368.499 2.609 0 50 FFAA COc1ccccc1-c1ccnc(C2CCN(Cc3cnon3)CC2)n1 952891457 DXDJXYGTICGKKW-UHFFFAOYSA-N 351.410 2.915 0 50 FFAA Cc1cccc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)[nH]c12 1875252392 KSPGDKHTRACSBI-UHFFFAOYSA-N 357.435 2.979 0 50 FFAA Cc1cc2cc(NC(=O)c3conc3C3CCNCC3)ccc2[nH]c1=O 1875359875 RXJSLIPUCPGWFP-UHFFFAOYSA-N 352.394 2.544 0 50 FFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@@H](C)Cn2cncn2)s1 952861423 FNEQBRCYPCPLBS-AWEZNQCLSA-N 355.467 2.908 0 50 FFAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 952988728 RUJUEVLFCWMTKK-CYBMUJFWSA-N 374.462 2.985 0 50 FFAA OC[C@H]1CCCCN1CCNCc1ccc(CN2CCCCC2)s1 952970026 PPUFEGYSMMZJMR-QGZVFWFLSA-N 351.560 2.670 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC4(CCC[C@@H]4CN)CC3)n2)cc1 1341982555 WUPDSCPADVFMTL-MRXNPFEDSA-N 368.481 2.862 0 50 FFAA Cc1ccc(COc2ccccc2CN2CC[C@@H](O)[C@@H](C(=O)O)C2)cc1 1529152134 PFBOZOJRALMULI-RBUKOAKNSA-N 355.434 2.841 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1cc[nH]n1)CC2 275740353 QCRJMIUQHOHEJY-MRXNPFEDSA-N 358.467 2.515 0 50 FFAA C[C@@H]1CCN(C(=O)NCCCc2ccc(Br)cc2F)[C@H]1CO 190563128 WLKVATDDZAXVAT-ABAIWWIYSA-N 373.266 2.933 0 50 FFAA COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2ccnc2)nc1 191417634 OXTQYNUFHSNTLQ-GOSISDBHSA-N 350.422 2.597 0 50 FFAA C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cnc2cc(F)c(F)cc21 193035205 UIUBMFKRXLCUKD-MFKMUULPSA-N 350.369 2.719 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 1506421706 LSZPFTNXGXIXLL-INIZCTEOSA-N 373.478 2.884 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@H](C(C)C)O1 1529167379 KZPSJKGNMNUQKR-CRAIPNDOSA-N 371.481 2.989 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1529145134 BMEBEMHEFYBPQX-CTNGQTDRSA-N 362.477 2.920 0 50 FFAA CCNC(=O)c1ccnc(NC[C@@H](c2cccnc2)N2CCCCC2)c1 1704304205 LCTJYADRRCIMHO-SFHVURJKSA-N 353.470 2.865 0 50 FFAA O=C(Cn1nc2ccccc2n1)N1CCC2(CC1)OCCc1ccsc12 1704298212 HGAYFMTYSWWLCW-UHFFFAOYSA-N 368.462 2.583 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cc(C)nc(C)n3)CC1)OCC2 1704338933 AONNNCBHVLOPKO-UHFFFAOYSA-N 367.449 2.806 0 50 FFAA CCCN1C[C@@H]2CN(CCN3CCOCC3)C[C@@]2(CCc2ccccc2)C1 1772815887 BGAZLISFDDNJHS-DHIUTWEWSA-N 371.569 2.595 0 50 FFAA Cc1ncoc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11879374 FGTRVQMEXSLMDC-LBPRGKRZSA-N 367.327 2.533 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@@H]3CC(=O)N(CC(C)(C)C)C3)c(C)c2c1 11753995 GGZGRLCCSIACRV-CYBMUJFWSA-N 357.454 2.862 0 50 FFAA COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccccc1 12274360 QIRKZRCUYARIJF-GFCCVEGCSA-N 355.423 2.790 0 50 FFAA COc1ccc(CC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)cc1 12704454 CEUXXYUGGCKXKK-SFHVURJKSA-N 358.482 2.879 0 50 FFAA CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1cc2ccccc2o1 19798688 FDYSVOAEQKWPSE-INIZCTEOSA-N 369.421 2.977 0 50 FFAA CNC(=O)Cc1ccc(NC(=O)NCCc2nc3c(s2)CCCC3)cc1 153994276 ARSNDHQYCFAAGX-UHFFFAOYSA-N 372.494 2.675 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)CN3CCc4ccccc43)C[C@@H]2N(C)C)cc1 213003743 BYSYPKPXGFOPJY-IRLDBZIGSA-N 363.505 2.914 0 50 FFAA CNCc1ccc(CNC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 225487147 HYMODKRYBOEZNV-UHFFFAOYSA-N 372.465 2.681 0 50 FFAA CCc1ncc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cn1 119307248 CXXUKEUDQKPAIE-UHFFFAOYSA-N 351.414 2.677 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2C[C@@H](N)CCO2)CC1 333224262 AQAADDNNEZPWDZ-WMLDXEAASA-N 352.862 2.707 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1c[nH]c2ccccc12 247873591 MREOEJUVFLYMJX-QAPCUYQASA-N 365.477 2.960 0 50 FFAA COc1cc(C)nc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 497551503 JEGAISHIQSCMSK-AWEZNQCLSA-N 351.353 2.973 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)o1 740173972 WARBCIBYYAVQCG-UHFFFAOYSA-N 361.375 2.962 0 50 FFAA C[C@@H](CF)NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 2325767712 FWIOXBBQDYSFBD-VIFPVBQESA-N 356.195 2.906 0 50 FFAA Cc1ccc2cc(NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)cnc2c1 2325784347 WFCUWSONWSADGY-CHWSQXEVSA-N 351.328 2.796 0 50 FFAA CC(C)(Cc1ccc(CN)cc1)C(=O)N1CCc2ccccc2[C@@H](N)C1 2325787981 FXNJHEDZFQYZKE-FQEVSTJZSA-N 351.494 2.799 0 50 FFAA COc1c(C(=O)O)cccc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 2325788690 XIRLFCMEDSQJCF-SJORKVTESA-N 372.396 2.708 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2sc3ncnc(N)c3c2C)N(C)C)cc1 2325815504 SWLLHSSANUMXME-AWEZNQCLSA-N 369.494 2.923 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@@H]3CCCc4cc(CN)ccc43)cc2n1 2325859033 LKOVZLXFLMXWIM-OAHLLOKOSA-N 350.422 2.838 0 50 FFAA CSCCC(=O)N1CC[C@H](Nc2cnc3cc(F)c(F)cc3n2)C1 2325860914 YVLUYYJHHGQQCA-JTQLQIEISA-N 352.410 2.674 0 50 FFAA O=c1c2cnn(-c3ccccc3)c2nnn1Cc1cccc2cccnc12 119406006 OVVZRCBZGPSTMJ-UHFFFAOYSA-N 354.373 2.574 0 50 FFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 681030 PSSHQARHYXXVTK-UHFFFAOYSA-N 358.419 2.999 0 50 FFAA COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC 815193 DVLIRFZIIUHNIN-UHFFFAOYSA-N 363.324 2.640 0 50 FFAA O=C(C[C@@H](O)C(Cl)(Cl)Cl)C[C@@H](O)C(Cl)(Cl)Cl 1735921 OOHSANVRWZOWHG-RFZPGFLSSA-N 352.856 2.798 0 50 FFAA biogenic O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1 2356730 CQFKRJZFDSRFJO-UHFFFAOYSA-N 356.378 2.562 0 50 FFAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC)cc3)N2C1=O 2502896 AHVRYPIGDKCUJM-DZGCQCFKSA-N 360.435 2.907 0 50 FFAA O[C@H]1CN(Cc2[nH]nc3ncccc23)C[C@H]1Cc1ccnc2ccccc12 2356145666 RMBUEJOZNXLPSH-QRWLVFNGSA-N 359.433 2.542 0 50 FFAA CCc1ccc(O[C@@H](C)c2n[nH]c(=NC(=O)c3ccn(C)n3)s2)cc1 2356149735 UEPJEKGVNYTWEC-NSHDSACASA-N 357.439 2.648 0 50 FFAA O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 3640620 JFDJLMGVJXHLOF-CQSZACIVSA-N 373.352 2.680 0 50 FFAA Cc1ccc(-c2nc(NCc3ccc(F)cc3)n(S(C)(=O)=O)n2)cc1 4813527 NWARDORAMQUSNU-UHFFFAOYSA-N 360.414 2.812 0 50 FFAA CCCCNC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 4844981 QRUIZTZTTMODSM-GOSISDBHSA-N 354.406 2.995 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1C 55358849 LLPPQWFIONKNJW-AWEZNQCLSA-N 359.451 2.630 0 50 FFAA COc1cccc(OCC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 55403788 NWMPOQBFCFDTTK-IBGZPJMESA-N 356.422 2.677 0 50 FFAA CCN(CCOc1cccc(C)c1)C(=O)c1cnc2ccccn2c1=O 55284007 RAXQLQPKOIDKTR-UHFFFAOYSA-N 351.406 2.544 0 50 FFAA CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C[C@H](C)O1 247730156 UISCAOKXNYELDB-JCURWCKSSA-N 352.862 2.933 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nc3cc(F)ccc3[nH]1)CO2 176115632 UFSMJMOJNZGPBX-GFCCVEGCSA-N 355.369 2.578 0 50 FFAA C[C@@H](Sc1ccccn1)C(=O)N1CCCN(Cc2cccnc2)CC1 67587857 DDBIFAXZVMYPAB-MRXNPFEDSA-N 356.495 2.692 0 50 FFAA COc1cccc(CN2CCN(Cc3cccc(F)c3)C[C@@H]2CCO)c1 20540182 NJMOBYINFGFDGU-FQEVSTJZSA-N 358.457 2.903 0 50 FFAA Cn1c(C(C)(C)NC(=O)Cn2ccc(C(F)(F)F)n2)nc2ccccc21 472033150 LHBCPWKGLWBKPT-UHFFFAOYSA-N 365.359 2.840 0 50 FFAA COC(C)(C)C[C@@H](C)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65370838 KWBBZCNWBAENRA-OAHLLOKOSA-N 354.516 2.633 0 50 FFAA COC[C@@H](C)N(Cc1ccc(OC)c(OC)c1)c1ncnc2oc(C)nc12 63857629 VSYPBBGDGVVRDX-GFCCVEGCSA-N 372.425 2.985 0 50 FFAA COC(=O)c1ccccc1NC(=O)N1CCC(n2cc(C3CC3)nn2)CC1 23191508 OWUWRTBMIHPJRD-UHFFFAOYSA-N 369.425 2.811 0 50 FFAA O=C(NC1CC1)c1cccc(NC(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)c1 252507125 YXGAXSYUJBTEGP-IPELMVKDSA-N 368.481 2.527 0 50 FFAA O[C@@H]1CCCN(c2ncccc2CNCc2cccn2-c2cccnc2)C1 11818057 RCYYXAFNVAWYHC-HXUWFJFHSA-N 363.465 2.518 0 50 FFAA Cc1nnc2ccc(N3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)nn12 32101277 IVBHHFRBFJLZGF-ZDUSSCGKSA-N 370.844 2.941 0 50 FFAA Cc1noc([C@H](NCc2ccc(N3CCCC3)nc2)C2CCOCC2)n1 328615100 AQZIDLNSKBIIKL-GOSISDBHSA-N 357.458 2.631 0 50 FFAA CCOC(=O)[C@H](Cc1ccccc1)Sc1nnc(-c2cnccn2)n1C 122937070 YKAYMOTXQWTAKE-HNNXBMFYSA-N 369.450 2.539 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2=O)c1 77420383 JGCJZOTVCYIAQO-SFHVURJKSA-N 368.481 2.549 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCN[C@@H](c3ccccc3)C2)o1 218830146 YVAFHUFZFATKIH-MRXNPFEDSA-N 355.467 2.706 0 50 FFAA Cc1noc(-c2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2)n1 363566156 NHHVVSLXAYDWNU-UHFFFAOYSA-N 367.384 2.542 0 50 FFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCC(Oc2ncccn2)CC1 215499632 BNTOFOGIBCOGEA-GOSISDBHSA-N 366.465 2.627 0 50 FFAA Cc1ccc2cc(CN(C)CCn3cccn3)c(N3CCOCC3)nc2c1 214985141 QUVUFXHUQJUTJW-UHFFFAOYSA-N 365.481 2.708 0 50 FFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@@H](N(C)C)CC3)c2n1 72172556 WCEJIAIMLOIWCL-GFCCVEGCSA-N 369.391 2.613 0 50 FFAA C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)Cc2ccccc2O1 333154545 GDCCJHJKMFNUHJ-OGWOLHLISA-N 370.453 2.633 0 50 FFAA Cc1noc(-c2ccccc2C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)n1 368786714 OCBAVZQJNPKSKL-NRFANRHFSA-N 374.400 2.781 0 50 FFAA NC(=O)c1cccnc1N1CCC(CCCc2ccccc2)(C(=O)O)CC1 71614606 MXRQMIFEAJZWAV-UHFFFAOYSA-N 367.449 2.875 0 50 FFAA CCn1cc(S(=O)(=O)Nc2noc(-c3ccccc3F)c2C)cn1 369677780 YOEVVXRTBDVMGL-UHFFFAOYSA-N 350.375 2.806 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccc(F)cn2)C1 490908988 GANDGEGJFRWXJY-JTQLQIEISA-N 356.323 2.993 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 333980097 BXZZJQSECIOMCO-FUHWJXTLSA-N 361.507 2.998 0 50 FFAA Cc1nc2ccccc2c(C)c1CC(=O)N(CCC(=O)O)C[C@H]1CCCO1 237751349 MEDFDUCSNGNWPZ-MRXNPFEDSA-N 370.449 2.876 0 50 FFAA COc1ccccc1CC1(O)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 374031842 HJLXJFIVLFMQHZ-LJQANCHMSA-N 359.441 2.937 0 50 FFAA COCCc1ncc(CN2CCC(Oc3ccc(OC)cc3)CC2)cn1 72174303 NGSVVMGSPYCOEC-UHFFFAOYSA-N 357.454 2.718 0 50 FFAA Cc1nc(-c2ccccc2NC(=O)N2CCC(CC(=O)N(C)C)CC2)no1 378567644 NQHVLXSUOLZPNN-UHFFFAOYSA-N 371.441 2.767 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cc(F)ccc1F 241884806 SXYJMCNAUXWSFM-LYRGGWFBSA-N 352.381 2.709 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCO[C@H](c3ccco3)C2)C1 133278220 GOGBRKMJOFICFT-BEFAXECRSA-N 371.437 2.650 0 50 FFAA Cc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72129351 MLWWMLPHCSIGTL-MOPGFXCFSA-N 354.425 2.601 0 50 FFAA CC(C)c1cccc(-c2ccc(C(=O)N3CCC[C@@](O)(C(N)=O)C3)o2)c1 285551183 OSRKXMRXWYFOCX-FQEVSTJZSA-N 356.422 2.522 0 50 FFAA C[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3ccccc3)c(=O)n12 226441043 KUYHKBCSBWUZAH-QNJOIDOASA-N 362.454 2.706 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H](c3ccc(F)cc3)N(C)C)CC2)no1 220151461 LBWZBQXXLPTTTO-GOSISDBHSA-N 360.433 2.601 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CCC(O)(c3cccnc3)CC2)cc1 220046097 XHJMIRIGSDXCEH-UHFFFAOYSA-N 368.433 2.563 0 50 FFAA CCc1noc(CCNC(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 426641407 RDEUADXCAJLJEI-CQSZACIVSA-N 372.404 2.737 0 50 FFAA Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CC[C@H](C(=O)O)C1 178267891 DLNIBFNUYGHJBE-GWJCSSMESA-N 359.813 2.780 0 50 FFAA CNc1nc(-c2cccc(C(=O)N(C)CCC[C@H]3CCCO3)c2)ncc1F 426420416 SLHFROMINZQCBW-INIZCTEOSA-N 372.444 3.356 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)NC[C@H]1CCN(C)C1 426683996 WYMMCKPGFPXVGG-QGZVFWFLSA-N 355.482 2.950 0 50 FFAA O=C1CCCN1Cc1ccccc1CN[C@@H]1CCOC2(CCOCC2)C1 82137889 IAZCSTISYKFBAF-LJQANCHMSA-N 358.482 2.627 0 50 FFAA CCCCn1c(C)c(CC(=O)NCc2noc(C)n2)c2c1CCCC2=O 95518422 BJEJTRMNMWFNOW-UHFFFAOYSA-N 358.442 2.666 0 50 FFAA O=c1cc(CN2CCN(c3nccs3)CC2)[nH]c2c(Cl)cccc12 91908150 FCYMHVQYOGBOTI-UHFFFAOYSA-N 360.870 2.960 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(-c3ccccc3)no2)on1 95388751 CHFHYOGJEBDNHQ-PBHICJAKSA-N 353.378 2.626 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426379770 QVUVSDBXAPQXBU-CQSZACIVSA-N 356.451 2.505 0 50 FFAA CC(=O)c1ccc(F)c(-c2cccc(C(=O)NC[C@@H]3CN(C)CCO3)c2)c1 426634140 HGXUAPIYKDXYEI-GOSISDBHSA-N 370.424 2.756 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2ccncc2)C3)cc1 95392774 MULKGKHVMHCFFO-VQTJNVASSA-N 365.477 2.756 0 50 FFAA CCCn1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c(C)n1 91461009 YTKXDQZHDYDAEP-UHFFFAOYSA-N 364.453 2.507 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95528147 QTVDKDYDIXYBNL-KRWDZBQOSA-N 370.497 2.863 0 50 FFAA Cc1ccc(F)cc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91410204 WSGBIPCREXUUOS-OAHLLOKOSA-N 362.445 2.812 0 50 FFAA Cc1ccnc(NCCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)c1 91973969 UMVZBMKIGZGWFV-SFHVURJKSA-N 372.513 2.737 0 50 FFAA COC(=O)c1cn(-c2ccc3[nH]c(CC(C)C)nc3c2)cc2c(=O)[nH]nc1-2 252491706 LRGDEVPKEFJZEO-UHFFFAOYSA-N 365.393 2.527 0 50 FFAA CNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)CC1 252516626 VJFXTQHFZMHUEO-JOCQHMNTSA-N 356.388 2.917 0 50 FFAA C[C@@H](N)[C@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739518 PQCODHDNXMLPQY-NEPJUHHUSA-N 373.266 2.943 0 50 FFAA CSCC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1 263587564 IIPXFYJZWKFEIP-OAHLLOKOSA-N 358.467 2.611 0 50 FFAA O=C(Nc1ccc(OC(F)F)cc1)NC1CCN(c2cnccn2)CC1 299759199 BJGHYPHVLWYOGU-UHFFFAOYSA-N 363.368 2.869 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299788291 WLCAEOSXPJDKQH-IRXDYDNUSA-N 360.845 2.627 0 50 FFAA Cc1nn(C(C)C)c(C)c1NC(=O)NCc1ccccc1-n1cncn1 299770732 QVAGGYXPHFDGGT-UHFFFAOYSA-N 353.430 2.983 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2oc(C4CC4)nc2C)C3)o1 952851903 ZHKZRWFJBYLVHR-DJJJIMSYSA-N 356.426 3.000 0 50 FFAA CC(C)c1cc(N2CCC(c3nnc4n3CCC4)CC2)nc(N(C)C)n1 1875260690 XGVIHUHNXOGMRG-UHFFFAOYSA-N 355.490 2.588 0 50 FFAA CC1(C)CC(=O)N[C@@H]1CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1875284056 MHAMRGKVNVSSRH-OAHLLOKOSA-N 366.387 2.895 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C(=O)NS(C)(=O)=O)c1ccccc1 1875390668 YXUBMRWYDDDPNB-HNNXBMFYSA-N 353.827 2.844 0 50 FFAA Cc1c([C@@H](C)N[C@H]2CCN(c3cc(O)nc(O)n3)C2)oc2ccccc12 1875399986 ODVPFTNQWNOISC-OLZOCXBDSA-N 354.410 2.872 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)C1 1875371821 MSXISKUJTUIRDG-DAOPMYJZSA-N 354.859 2.748 0 50 FFAA C[C@@H](NC(=O)/C=C/c1cc(CO)cs1)c1nc(-c2ccccn2)no1 952982042 VXMJKCPTPIHOCN-MVIFTORASA-N 356.407 2.576 0 50 FFAA O=C(NCc1ccn2ccnc2c1)N1CCO[C@H](CCc2ccccc2)C1 186488044 FGJGPGSMTMQQTH-LJQANCHMSA-N 364.449 2.878 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280030088 NSWCSLSKWNDRQG-FZMZJTMJSA-N 352.312 2.754 0 50 FFAA CCN(C)c1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 191215367 YNVRJSAVAVIRBV-ZDUSSCGKSA-N 365.474 2.931 0 50 FFAA COCCSc1nnc(NC(=O)[C@H](C)N(C)C2CCCCC2)s1 1506401277 CGBFNJCZBLQIRB-NSHDSACASA-N 358.533 2.868 0 50 FFAA CO[C@H]1CN(Cc2ccnn2-c2ccccc2)C[C@H]1Cc1cc(C)no1 1529173395 VVJGSKCWUPYIGH-UZLBHIALSA-N 352.438 2.858 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]2N1CCCCO 216900341 HFUUTYKNQSVQSJ-AEFFLSMTSA-N 350.890 2.925 0 50 FFAA Cc1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc1C 1704344689 VRQNOFUAARPEGS-SIKLNZKXSA-N 367.445 2.824 0 50 FFAA COCc1cc(CN2CCC(c3ccn(C)c(=O)c3)CC2)ccc1OC 1772805060 XNLRCOBYRCRNOT-UHFFFAOYSA-N 356.466 2.920 0 50 FFAA CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 11098708 GYMPBNXQHDKBMV-GFCCVEGCSA-N 372.812 2.685 0 50 FFAA Cc1ncc(CN2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1C 11935555 DGGOFJGGCRURGP-NRFANRHFSA-N 370.472 2.882 0 50 FFAA O=C(c1ccccn1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12057927 LDBZAUHCNUAFFB-OAQYLSRUSA-N 367.424 2.876 0 50 FFAA O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1cc2ccccc2oc1=O 12597497 IPTOSFLJZSZCSV-INIZCTEOSA-N 368.433 2.704 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)n1 12749541 PUIPVZIFVOPUKA-HNNXBMFYSA-N 355.413 2.811 0 50 FFAA CC(C)CN1C[C@H](OCc2ccccc2)CN([C@@H]2CCSC2)CC1=O 14541339 NGOSMZIUSRXQJD-RTBURBONSA-N 362.539 2.878 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)/C=C/c3c[nH]cn3)C2)c(C)c1 15936449 WLRFPMZOEGOJPQ-PXTSUWAFSA-N 353.422 2.861 0 50 FFAA COc1cc(OC)c(C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 16026190 BIMVJRKXRRNZKO-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA CCc1ocnc1C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 19229159 DSAZEHWXICTYLI-UHFFFAOYSA-N 369.450 2.718 0 50 FFAA CCN1CCC(N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 19867457 VVYQVRDLKQKOFZ-QFIPXVFZSA-N 374.548 2.896 0 50 FFAA Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(C(F)(F)F)n1 169776627 MBDOWHUCIPGSMJ-UHFFFAOYSA-N 368.334 2.905 0 50 FFAA Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(Br)c1 168182170 NLDSSGYILWJOCN-FDYHWXHSSA-N 354.200 2.574 0 50 FFAA Cc1cc(CC2(C(=O)N[C@H]3C[C@H](Cn4ccnc4)C[C@@H]3O)CC2)ccc1F 1857527358 QZGYLCLXMRGMLZ-WDSOQIARSA-N 371.456 2.609 0 50 FFAA CN1CCOC2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1=O 1857702173 CHUVXBVMAXYPLT-UHFFFAOYSA-N 358.482 2.838 0 50 FFAA Cc1ccccc1N1CCC(N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)CC1 1857713197 KRQQPJFZUFLCSW-RZUBCFFCSA-N 355.526 2.805 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc(Cn3cnnn3)cc2)C[C@H](C2CC2)O1 1857713536 OWESAXOYQMPOSJ-RTBURBONSA-N 369.469 2.531 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1ccc(F)cc1F 1857732426 PUSUIVZXIVLRLY-IXIUHKBRSA-N 362.420 2.584 0 50 FFAA O=C1C[C@@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1 100285073 LVJLMFNHFSOLJO-CQSZACIVSA-N 367.386 2.866 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC(c3ncc[nH]3)CC2)n1 328640898 QHVUBXYAVYSECJ-WMZOPIPTSA-N 370.501 3.199 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)o1 330660324 RXWVFHOWSBZMQQ-LBPRGKRZSA-N 351.350 2.520 0 50 FFAA CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc(F)c(Cl)c1 125504666 GMTAZXZHLPANPZ-HNNXBMFYSA-N 357.838 2.911 0 50 FFAA CC(=O)NCCNC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 12704125 GYSBMLQPTFHYFW-UHFFFAOYSA-N 371.824 2.938 0 50 FFAA C[C@H](N)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 261773029 IWQYBFXCWDULAG-JTQLQIEISA-N 354.237 2.879 0 50 FFAA COC[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 265786065 GFLYKJZOGLPTIE-MRXNPFEDSA-N 365.905 2.982 0 50 FFAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1c[nH]c3cc(F)ccc13)C2 828859626 NOBDSQSXXUOVOU-SOAMZJECSA-N 359.445 2.517 0 50 FFAA O=S(=O)(Cc1ccc(Br)cc1)NCC[C@H]1CCCCO1 180764596 IVTUESQDUUNHHL-CQSZACIVSA-N 362.289 2.828 0 50 FFAA Cc1cccnc1C[C@@H]1NC(=O)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O 2325776854 FKOYZLGSZGLBGU-ROUUACIJSA-N 351.450 2.586 0 50 FFAA CC1(C)C[C@H](CC(N)=O)N(c2nc3cc(Br)cnc3s2)C1 2325790725 FVZJIXUSSSVITN-VIFPVBQESA-N 369.288 2.934 0 50 FFAA COC(=O)C12COC(C(=O)NC[C@@H]3C[C@H](C(C)C)c4ccccc43)(C1)C2 2325796450 RHFHQNKGJITZBU-MMZRUNHDSA-N 357.450 2.752 0 50 FFAA CC[C@H](NC(=O)Cc1cccc(N)n1)[C@H](O)c1ccc(C(F)(F)F)cc1 2325801446 IRNYLYKIPANAJT-WMLDXEAASA-N 367.371 2.854 0 50 FFAA COC(=O)c1cc2cc(-c3cncc(N(C)C4CCNCC4)n3)ccc2[nH]1 2325821158 KNYIRLOLVMSCGQ-UHFFFAOYSA-N 365.437 2.600 0 50 FFAA C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3cncn3C)[C@@H]2C)CC(C)(C)C1 2325854650 OHFHPJUJGVOQPE-ZJIFWQFVSA-N 360.502 2.602 0 50 FFAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 885127 MNVOTOIEUVAWRT-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 1111051 NRKZUYMZHPEWDF-HNNXBMFYSA-N 352.500 2.907 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Cl)cc1 1124054 LYMBMGKZRJAXNB-UHFFFAOYSA-N 364.814 2.606 0 50 FFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2cnc3cnccn23)c1 2356152857 DCAVKNVXLXNVIU-PZJWPPBQSA-N 370.412 2.784 0 50 FFAA COc1ccc(CC[C@@H](C)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1O 225425157 LNESKZYFDMPGJL-RHSMWYFYSA-N 374.456 2.795 0 50 FFAA Cc1ccc2nnc(CNC(=O)N3CCCc4c(C)ccc(F)c43)n2n1 225508659 MMSRPUBVTZNBOA-UHFFFAOYSA-N 354.389 2.543 0 50 FFAA O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1nc(-c2ccccc2)cs1 8771275 LPNJEDWBOQUBJM-CQSZACIVSA-N 371.418 2.975 0 50 FFAA CNS(=O)(=O)c1ccc(CN(C)CCCOc2ccc(F)cc2)cc1 55576019 QRVOKPKUSHPFEH-UHFFFAOYSA-N 366.458 2.635 0 50 FFAA O=C(c1ccccn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55108139 QKNLPTOFEMBLQL-IBGZPJMESA-N 368.456 2.648 0 50 FFAA Cn1cc([C@]2(C)CN(C(=O)Nc3ccccc3N3CCCC3)CCO2)cn1 134515815 DIMZPQBCKQSPFT-FQEVSTJZSA-N 369.469 2.800 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(Cn2ccnc2)c1 138542026 VZNAWPDNXVTNPH-UHFFFAOYSA-N 358.401 2.885 0 50 FFAA Cc1ccc(OCc2occc2C(=O)N2[C@H]3CC[C@@H]2CC(=O)NC3)cc1 65387313 RVYYTLYMPPEKQG-CABCVRRESA-N 354.406 2.660 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1)[C@H]1CCc2cc(F)ccc21 913560775 GFNFOHNBOXGABU-IRXDYDNUSA-N 366.396 2.779 0 50 FFAA CCOC(=O)c1cnc(C)c(NC(=O)c2ccc(OC(F)F)cn2)c1 477616343 YVAWQUFMTSHBIA-UHFFFAOYSA-N 351.309 2.815 0 50 FFAA COc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 65362870 NUVZSIMINPLNSX-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA FC(F)(F)CCc1ccnc(N2CCN(Cc3ccncc3)CC2)n1 71419486 XGYRGHNDHXITTJ-UHFFFAOYSA-N 351.376 2.689 0 50 FFAA Cc1ccccc1-n1cc(CN(C)S(=O)(=O)NCc2ccccc2)cn1 71745554 OYTRSLJEAWZENU-UHFFFAOYSA-N 370.478 2.647 0 50 FFAA C[C@@H](NC(=O)c1[nH]nc(N)c1-c1ccccc1)c1ccc2c(c1)OCCO2 215421612 NHFOFTXQRPJUPY-GFCCVEGCSA-N 364.405 2.921 0 50 FFAA C/C(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)=N/Nc1ccccc1 214482362 BKUCITNIBJBEFS-HKWRFOASSA-N 360.458 2.944 0 50 FFAA CCN1CCN([C@@H]2CCN(C(=O)Nc3ccccc3OCC3CC3)C2)CC1 152629591 HYJGYYVRZZJPEO-GOSISDBHSA-N 372.513 2.719 0 50 FFAA O=C(NCc1cccc2cccnc12)[C@H]1CCCCN1C(=O)c1cccnc1 172903259 SVQSBURTXKRFRL-LJQANCHMSA-N 374.444 2.941 0 50 FFAA Cc1ccc(N2CCC[C@H](C(=O)NCc3ccc(CO)c(F)c3)C2)nc1 363779408 OKCRKKSEMRQLEM-INIZCTEOSA-N 357.429 2.554 0 50 FFAA c1ccc(C[C@H]2CN(C3CCN(Cc4ccccn4)CC3)CCO2)cc1 15076641 CQDUPGIWVWULNI-QFIPXVFZSA-N 351.494 2.990 0 50 FFAA CC(C)c1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)[nH]n1 38149522 SZQZQQKFOXEEPX-LJQANCHMSA-N 360.477 2.741 0 50 FFAA COc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)cc1C1CC1 286348853 OZCPYHONOBEFQT-SJORKVTESA-N 357.454 2.589 0 50 FFAA COc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc1-n1cnnn1 333214262 KPZDVDBRWDBOKJ-QUHUKJRKSA-N 368.441 2.571 0 50 FFAA Cc1ccc(C)n1-c1c(C(=O)N(C)Cc2ccc(C(=O)O)cc2)cnn1C 237062240 BHKQVKUVWZQNCD-UHFFFAOYSA-N 366.421 2.798 0 50 FFAA COCCN1C[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CCC1=O 216269108 BHEAQCKHCPRNKZ-FQEVSTJZSA-N 366.461 2.855 0 50 FFAA C[C@H](CO)N1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 375486068 RTUOKCHTMYLXMS-CHWSQXEVSA-N 374.312 2.709 0 50 FFAA CCOc1ccc(-c2ccnc(N3C[C@H](C)O[C@H](C)C3)n2)cc1C(=O)O 72419137 ZYEDFRLYUXRSIV-BETUJISGSA-N 357.410 2.854 0 50 FFAA CSCCN1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72429041 RBYJSBDQRYVJEQ-UHFFFAOYSA-N 350.528 2.511 0 50 FFAA COC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1Cl 130327364 CEJLUXXJGRSXEI-UHFFFAOYSA-N 353.827 2.648 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCc1ccc2c(c1)CCO2 241326127 LZLJTJWDTFQWHP-UHFFFAOYSA-N 373.474 2.560 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@]4(CCNC4)C3)c2)n1 289242305 MXMPICAIWJOPRZ-NRFANRHFSA-N 352.482 2.764 0 50 FFAA COc1cc(C)c(CN(C)Cc2c(O)nnn2-c2ccccc2)cc1OC 193990451 CZVOKNXTTKDUAV-UHFFFAOYSA-N 368.437 2.931 0 50 FFAA C[C@H](C(=O)NC(=O)NC1CCCCC1)n1ccc(C(F)(F)F)cc1=O 289603957 KHYBZVBSKJKJSJ-SNVBAGLBSA-N 359.348 2.587 0 50 FFAA COC[C@H](NC(=O)c1csc(Cc2ccccc2)n1)c1ccnn1C 82121167 UDKBTNDIYAYWEX-AWEZNQCLSA-N 356.451 2.585 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@@H](OCc3cccnc3)C2)c1 426411451 NLMAUKQEJDUXOZ-LJQANCHMSA-N 355.438 2.981 0 50 FFAA Nc1nc(C2CC(N)C2)cc(N2CCN(c3cccc4ccccc34)CC2)n1 220733173 LFYKNIOXCUMPOS-UHFFFAOYSA-N 374.492 2.743 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(Cl)ccc3O)CC2=O)c1 82115122 FIXALHFFPIYYJH-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)NC1CCN(C[C@@H]2CCCO2)CC1 95530821 JZVPDEPVETULCG-KRWDZBQOSA-N 369.469 2.637 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(CO)o3)CC2)CN1Cc1ccncc1 91695727 ZLXDXUJAADNWJL-UHFFFAOYSA-N 369.465 2.572 0 50 FFAA COc1ccc(CN2CCN(Cc3nccs3)C[C@@H]2CCO)cc1C 23360790 ISBLIXPMLWLTIZ-KRWDZBQOSA-N 361.511 2.529 0 50 FFAA COCCCN(C(=O)c1ccc([C@H]2CCCNC2)cc1)C1CCN(C)CC1 95363120 VGOWVOHXSOJNBN-FQEVSTJZSA-N 373.541 2.727 0 50 FFAA CC(C)c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)c(=O)n1C 92046745 ZYWASPPVDRXJIP-UHFFFAOYSA-N 369.465 2.725 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)cc1 91452596 RNBLCEMMVMQNSW-RBUKOAKNSA-N 364.445 2.958 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc3c(s1)CCCC3)C2 92065305 HPKBULXIBDIIGY-DZGCQCFKSA-N 361.511 2.845 0 50 FFAA O=C(CS[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1 95521281 UVWSGYBSOXTUQC-MRXNPFEDSA-N 354.431 2.686 0 50 FFAA COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)ccn1 92021357 ZJLSQAADANLBLX-CQSZACIVSA-N 351.366 2.513 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCCn1ncc3ccccc31)C2 91474745 AUPQXOJSEZFEGA-QGZVFWFLSA-N 365.433 2.803 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)CC1 96163985 AFDZZWGWDCGOMK-UHFFFAOYSA-N 373.409 2.716 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)o1 96132008 HMIAWEQUTZAIKX-UHFFFAOYSA-N 371.343 2.815 0 50 FFAA O=C(C1CCC1)N1CCC(C(=O)N2CCC(O)(c3ccccc3)CC2)CC1 92046148 ZTDCIPHAYPVNNK-UHFFFAOYSA-N 370.493 2.535 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cc1 91643522 HWPIJRNNJKIPCX-JKSUJKDBSA-N 353.374 2.664 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 245257214 XBVODWZAVJNKIW-BRWVUGGUSA-N 367.534 2.918 0 50 FFAA CCc1nnsc1C(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244691645 JGNWELXRRXIAND-QEORTHHSSA-N 368.462 2.891 0 50 FFAA CCCOc1cn(-c2ccccc2)nc1C(=O)NCC1(C)CCNCC1 183327569 XIPFEBVZKPWXPT-UHFFFAOYSA-N 356.470 2.781 0 50 FFAA COCCn1ccc(NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)n1 183803190 LOBUZYWUORFQPG-AWEZNQCLSA-N 363.487 2.502 0 50 FFAA CC(C)(C)OC(=O)N1CC(C(=O)O)(c2ccc3c(c2)OC(F)(F)O3)C1 261507813 MNHBGNLPODNWED-UHFFFAOYSA-N 357.309 2.581 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 299754384 FVJVSEYHFXJTPQ-AEFFLSMTSA-N 355.486 2.547 0 50 FFAA biogenic Cc1nc2c(s1)CCC[C@H]2NC(=O)Cn1nc(C)c2ccccc2c1=O 299785735 KFVUSVXHEHXSIN-OAHLLOKOSA-N 368.462 2.664 0 50 FFAA CC(C)C[C@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)c1cccnc1 299774619 HMTSCYAMULARRD-SFHVURJKSA-N 360.479 2.931 0 50 FFAA Cc1cccnc1C[C@@H](C)NC(=O)CCc1nc2ccccc2nc1O 299789372 YPFQITVRPQISIF-CQSZACIVSA-N 350.422 2.719 0 50 FFAA CCOc1ccc(OCc2nc(CNC(=O)N(C)C)n(C(C)C)n2)cc1 823380062 WNJVAXHEBBUORQ-UHFFFAOYSA-N 361.446 2.608 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCc2cc(C3CC3)on2)CC1 584901964 GGCQIHVMNVIEQR-UHFFFAOYSA-N 355.442 2.677 0 50 FFAA Cc1nn(C)c2nc(C(=O)N[C@H]3CCCc4cnn(C(C)C)c43)cc(O)c12 952874965 LWCZOXXGXNIQEQ-ZDUSSCGKSA-N 368.441 2.567 0 50 FFAA CS(=O)(=O)NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 1875390167 KUVFOHGDSUHDKU-AWEZNQCLSA-N 357.790 2.675 0 50 FFAA C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)[C@H]2C(=O)NC[C@@H]12 1875319837 UWOXCFRUXZXAGU-MURWCNHISA-N 367.371 2.574 0 50 FFAA CN(C(=O)c1nc2ccccc2s1)[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 1875310710 ZNUFTOISSCLNQS-HIFRSBDPSA-N 373.478 2.538 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)C2CCC2)C1)c1cc2ccc(F)cc2nc1O 1875325891 WVDVKPJBYGJKGU-HNNXBMFYSA-N 371.412 2.600 0 50 FFAA C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1875336312 CKACQNJALRBTIM-GVDBMIGSSA-N 352.519 2.983 0 50 FFAA O=C(NC1CC1)[C@@H]1C[C@H](CN2CCCC2)CN(CCc2ccccc2)C1 14744967 UVKFCDZWEUWUQU-WOJBJXKFSA-N 355.526 2.542 0 50 FFAA Cc1ccc2c(c1)[C@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)CCC2 886085132 CMNCKUPYIMIPBM-GIVPXCGWSA-N 354.498 2.767 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)s1 1565511986 GMJIECWWUJCPFK-STQMWFEESA-N 366.464 2.511 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(c2nc(C)nc(C)c2C)CC1 82097978 XHUIAOCCCOSDSI-UHFFFAOYSA-N 371.437 2.913 0 50 FFAA COc1ccccc1-c1nc(C2CCN(C(=O)c3cnns3)CC2)no1 190192443 ZLZZQPJCHKLUHF-UHFFFAOYSA-N 371.422 2.617 0 50 FFAA C[C@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)N1CCNC1=O 791223998 UCVUBIKKEGCOFN-LBPRGKRZSA-N 364.829 2.635 0 50 FFAA Cn1nccc1CCC(=O)N1CCC([C@H](O)CCc2ccccc2)CC1 1506414242 NDBFQZBOYMCICG-HXUWFJFHSA-N 355.482 2.585 0 50 FFAA O=C1CN(C(=O)c2csc3c2CCCC3)C[C@H](Cc2ccccc2)N1 1772712605 VKDNDRXXDPEYDA-HNNXBMFYSA-N 354.475 2.810 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCO[C@@H](CC2CCCCC2)C1 15073637 ZPGXFJJQIUFNRK-SFHVURJKSA-N 350.503 2.977 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(CO)cc1)CC2 1857698202 IDFMLLAICBYBMN-UHFFFAOYSA-N 361.445 2.820 0 50 FFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 828164 OLXDGYZCUWEWFD-JTQLQIEISA-N 366.361 2.828 0 50 FFAA COCCC(=O)N1CCC(NC(=O)[C@@H](C)c2ccc(Cl)s2)CC1 158423802 DOQIIYJKIYGTQX-NSHDSACASA-N 358.891 2.649 0 50 FFAA O=C(c1csc(Cc2cccc(C(F)(F)F)c2)n1)N1CCNCC1 911646976 JWRXGDLKLPVZJI-UHFFFAOYSA-N 355.385 2.798 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N2CCCC2)C[C@H]1NC(=O)c1cccc(O)c1 2100482643 NXHMNCIIZSHLGE-QXAKKESOSA-N 374.481 2.708 0 50 FFAA Cc1cccc2nc(CN3CCN(c4nc5cccnc5s4)CC3)cn12 2325721020 CZQJAIDVCDDQHM-UHFFFAOYSA-N 364.478 2.970 0 50 FFAA Cc1ccc2c(c1)[C@H](C(=O)O[C@H](C)C(=O)c1ccc3c(c1)NC(=O)CO3)C2 2325760345 WGNZBONQWDXTDQ-MLGOLLRUSA-N 365.385 2.780 0 50 FFAA O=C(O)CN(Cc1ccccc1Cl)C(=O)[C@H]1CCC(=O)c2cccn21 2325762920 RDXRMKFBQDHPAU-OAHLLOKOSA-N 360.797 2.773 0 50 FFAA CO[C@H]1C[C@@H]2C[C@H](C(=O)N3CCc4cc(CCC(=O)O)ccc4C3)C[C@@H]21 2325775339 XTGJVDITRQCTRD-VJANTYMQSA-N 357.450 2.650 0 50 FFAA O=C(c1ccc(Cn2ccnn2)cc1)N1CCCN[C@H](c2ccccc2)C1 2325783226 FQMBISKCZQVIJO-FQEVSTJZSA-N 361.449 2.503 0 50 FFAA COC(=O)c1ccnc(NC(=O)c2ccc3c(c2)NC(=O)CCC3)c1C 2325792707 GVQPECFEHGWKCY-UHFFFAOYSA-N 353.378 2.704 0 50 FFAA C[C@H](OC(=O)c1cc2c(cc1Cl)OCO2)c1nnnn1-c1ccccc1 2325820625 PMADDZSNPAOZJE-JTQLQIEISA-N 372.768 2.962 0 50 FFAA Cc1cc(-c2nc(=O)o[nH]2)cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)n1 2325822204 JHLXYZDXCZUOFN-NSHDSACASA-N 356.357 2.706 0 50 FFAA CCC(CC)CC(=O)N1CCC(NC(=O)c2c(Cl)n[nH]c2C)CC1 2325824486 CMFJMDRNJLTVMG-UHFFFAOYSA-N 354.882 2.919 0 50 FFAA COC(=O)c1cccc2c(CN[C@H]3CCCN(c4cnccn4)C3)c[nH]c12 2325826310 XUSMQZGHVBGMPP-HNNXBMFYSA-N 365.437 2.503 0 50 FFAA O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 1158460 CZYXWLBDEXRCRL-UHFFFAOYSA-N 362.426 2.865 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 4487676 KKKRSURCGYWYCC-UHFFFAOYSA-N 371.462 2.956 0 50 FFAA CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 6714077 HXADQBVUEIKCSZ-UHFFFAOYSA-N 374.872 2.894 0 50 FFAA c1cnc(Sc2ccc(CNCc3noc([C@@H]4CCCO4)n3)o2)nc1 55090213 XLNXKYVJZRJZGQ-LBPRGKRZSA-N 359.411 2.745 0 50 FFAA Cc1[nH]nc(O)c1Cc1nc(CCc2ccccc2)nn1-c1ccccn1 67833647 KRTNNUHCDBPOEZ-UHFFFAOYSA-N 360.421 2.775 0 50 FFAA Brc1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1 20677107 MXCSMQHGAYVJND-UHFFFAOYSA-N 363.259 2.650 0 50 FFAA CSc1cccc(CN(C)C(=O)c2cc(CN3CCOCC3)on2)c1 67821439 CHXVZXMMWYGAIT-UHFFFAOYSA-N 361.467 2.501 0 50 FFAA CN(C)c1cc(N2CCC[C@@](Cc3ccccc3F)(C(=O)O)C2)ncn1 71523818 XAYSAMJTZPWKES-IBGZPJMESA-N 358.417 2.596 0 50 FFAA CCn1c([C@@H]2CCCNC2)nn(Cc2cccc(Cl)c2Cl)c1=O 67714348 JYLVQXJWVKSEAF-LLVKDONJSA-N 355.269 2.887 0 50 FFAA Cc1nc(-c2cccc(OCC(N)=O)c2)n(-c2cccc3cccnc23)n1 65395462 SJKFVMTUNTWUGS-UHFFFAOYSA-N 359.389 2.655 0 50 FFAA COc1ccc(C[C@@H]2CN(Cc3cccn3-c3ncccn3)CCO2)cc1 20537814 DNYDDKYSYMIFNX-HXUWFJFHSA-N 364.449 2.719 0 50 FFAA CC[C@H](C(=O)N1CCC[C@@H](C)C1)N(c1ccccc1F)S(C)(=O)=O 67612680 NRDPCIJTOIDLAM-UKRRQHHQSA-N 356.463 2.629 0 50 FFAA O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cnc2n1CCCC2 67772802 SNWKKXJINPSKIN-UHFFFAOYSA-N 374.750 2.692 0 50 FFAA CCCCSCc1cc(C(=O)N2CC[C@](O)(CC)[C@H](O)C2)oc1C 72448173 USBGMQOOGATXMR-SJLPKXTDSA-N 355.500 2.969 0 50 FFAA Cn1cc(-c2c[nH]cc2C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)cn1 427456032 NLFZRSIAZOSVPD-MRXNPFEDSA-N 367.428 2.953 0 50 FFAA Cc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nnc3ccccn23)C1 172555829 GVQNYYVFIZNUCL-ZWKOTPCHSA-N 366.465 2.657 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC(Cn3cccn3)CC2)c1 215120128 KNVSZFVSXVYQLK-UHFFFAOYSA-N 351.454 2.990 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1ccc(Cl)cn1 328635739 UZGOIZGJRLGIJY-SUMWQHHRSA-N 361.877 2.624 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77540478 BGKKTYBKSYFFQY-FQEVSTJZSA-N 360.502 2.794 0 50 FFAA CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 330907300 NWFBBDGPKHSXDV-HOTGVXAUSA-N 371.474 2.797 0 50 FFAA O=C(COc1cccnc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261664510 OHCLDZHVWWSMAV-QGZVFWFLSA-N 357.479 2.693 0 50 FFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@@H]2CCCCO2)c1 126837575 DSKAHANBEGCVQI-IBGZPJMESA-N 367.449 2.686 0 50 FFAA COc1ccc(-c2[nH]ncc2CN2CCC(Oc3ncccn3)CC2)cc1 215831296 WYNUQEHYRYZLFM-UHFFFAOYSA-N 365.437 2.919 0 50 FFAA Cn1cc(NC(=O)CN2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)cn1 72171425 SJRUVRIGCGHDFD-INIZCTEOSA-N 356.405 2.601 0 50 FFAA COc1ccc(N2CCN(Cc3noc(CC(C)C)n3)[C@H](C)C2=O)cc1 77471639 HYXYUOOEUKIGKR-CQSZACIVSA-N 358.442 2.514 0 50 FFAA O=C1CCCN1C[C@@H]1CCCCN1C(=O)NCCc1ccc2[nH]ccc2c1 375591744 OOQQWJMPXLAUGC-SFHVURJKSA-N 368.481 2.897 0 50 FFAA O=C(NC1CCCC1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72447730 WSWXKJQSUUYKIZ-UHFFFAOYSA-N 350.390 2.776 0 50 FFAA Cc1c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)nnn1C1CCNCC1 237393306 TWAJCSRTJTWGMH-XIKOKIGWSA-N 371.460 2.704 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3ccc(-c4ncn(C)n4)cc3)CC2)n1 158675778 CZEJHULARRAGDQ-UHFFFAOYSA-N 367.413 2.585 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3ccc(N)nc3)CC2)OC1=O 77421248 ZUTJFMJIGZNNEB-UHFFFAOYSA-N 360.458 2.671 0 50 FFAA COCCc1noc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)n1 215816374 QCRNRSAONWOYKD-HNNXBMFYSA-N 369.425 2.688 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2)cc1 72475205 RTKIVMBLCYWONO-UHFFFAOYSA-N 356.422 2.684 0 50 FFAA CCN(C[C@H]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)C1)CC(F)(F)F 175689545 FOZAPWHEJSJORI-GFCCVEGCSA-N 369.391 2.613 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[C@](C)(C(=O)O)C1 263186918 SFKISTKQYIZIQB-DIFFPNOSSA-N 354.834 2.781 0 50 FFAA CC(C)COc1ccccc1CN(C)c1cc(C2CC(N)C2)nc(N)n1 222983233 WKYKCOLEVULQLV-UHFFFAOYSA-N 355.486 2.935 0 50 FFAA Oc1ccc(-c2cn3c4ccccc4n(CCN4CCOCC4)c3n2)cc1 86001058 LRCNBXUNPBPNQG-UHFFFAOYSA-N 362.433 2.994 0 50 FFAA O=C1C[C@H](c2noc(-c3cccc4c3OCCO4)n2)CN1CC1CCC1 290068480 KXODNDHPBFQJHF-ZDUSSCGKSA-N 355.394 2.624 0 50 FFAA CCc1cnc(C)nc1N1CCC(Oc2ccccc2OC)(C(=O)O)CC1 82107121 VXFDJYPIGMBSNP-UHFFFAOYSA-N 371.437 2.859 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1)c1ccnn1C 426374141 HMLOXRVQGOASEB-MRXNPFEDSA-N 364.453 2.824 0 50 FFAA Cc1ccc(C(=O)NCc2ccc3c(c2)CCCO3)cc1OCCCN 426490103 DFSYCJGJHUWWFE-UHFFFAOYSA-N 354.450 2.978 0 50 FFAA Cc1ccc2oc(=O)cc(CN3CCN(CCc4ccccn4)CC3)c2c1 20730283 NRBALUWDCLWAHV-UHFFFAOYSA-N 363.461 2.857 0 50 FFAA biogenic OC[C@H]1CCCCN1c1cc(N2CCC(Oc3ccccc3)CC2)ncn1 290641546 NQMFCTVJINJKAY-QGZVFWFLSA-N 368.481 2.876 0 50 FFAA O=C(c1ccncc1F)N1CCC(c2nccn2Cc2ccccn2)CC1 95503067 AZIVMZOECUJZSZ-UHFFFAOYSA-N 365.412 2.880 0 50 FFAA O=C(c1ccc(-c2ccccc2Cl)o1)N1Cc2cnn(CCO)c2C1 91390977 VFTUPPZOTUOKKB-UHFFFAOYSA-N 357.797 2.945 0 50 FFAA COc1ccccc1OC1CCN(C(=O)NCc2cnc(C)cn2)CC1 426537484 LSIXMUBROJOAOB-UHFFFAOYSA-N 356.426 2.547 0 50 FFAA CC[C@H](NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)c1ccc(F)cc1 426716831 HJYJNTJVEVXJJI-INIZCTEOSA-N 358.417 2.773 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)c2cc(F)ccc2N1 92080784 JQBDMACVGOXZPP-INIZCTEOSA-N 364.380 2.754 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)[C@H]1CC(=O)OC12CCCC2 97574979 HOQCYCOVIGDNSI-OAHLLOKOSA-N 351.468 2.907 0 50 FFAA Cc1ncc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c(-c2ccccc2)n1 91617094 ZIBCJCYJGSJOQG-NRFANRHFSA-N 364.449 2.537 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)C1 91492901 JKWVBYWFAPNQJL-MRXNPFEDSA-N 355.438 2.777 0 50 FFAA CCCn1cnnc1[C@H](C)NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91562661 UQIUDXCWPDTASZ-LBPRGKRZSA-N 354.414 2.578 0 50 FFAA O=C1N(CCO)CCC[C@]12CCN(c1nc3ccc(Cl)cc3s1)C2 91304011 IVXBEAJFNYTFEC-QGZVFWFLSA-N 365.886 2.761 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(N3CCSCC3)CC2)cc1C 95367538 IWDYTHYAUDEFLX-GOSISDBHSA-N 364.511 2.643 0 50 FFAA Cc1cccc2cc(C(=O)N[C@@H]3CCN(Cc4cccnc4)C[C@H]3O)oc12 243902022 BFDBERAHFLPLDO-QZTJIDSGSA-N 365.433 2.501 0 50 FFAA CN(CCS(C)(=O)=O)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 183989943 VWFYXVAUPPAMEJ-UHFFFAOYSA-N 372.450 2.534 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 299743121 LYDLREABJYIISG-BNOWGMLFSA-N 352.228 2.876 0 50 FFAA Cc1c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)[nH]c2ccc(F)cc12 1940194730 JYWJJWWCWCOENL-KDOFPFPSSA-N 353.397 2.998 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)N1CCCO[C@H](CN2CCCC2)C1 299757907 IGWHTHORBUHZQG-LJQANCHMSA-N 369.469 2.591 0 50 FFAA O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC2(CCOCC2)C1 299756943 IXHJUUGQMJZNFF-HNNXBMFYSA-N 360.429 2.598 0 50 FFAA Cc1ccc([C@H](C)CCN2CCOC3(CCN(CCCO)CC3)C2)o1 828752934 TYMVVWTYMJVJNL-QGZVFWFLSA-N 350.503 2.631 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)NC[C@@H](C)N3CCCC3)cn2)c1 824792596 KYPYQOSHDXIEGN-MRXNPFEDSA-N 371.485 2.507 0 50 FFAA Cc1cc2nc(C(=O)N[C@@H]3CCCN(Cc4cccs4)C3)cc(C)n2n1 825292563 YCXYHQJZLAOQEM-OAHLLOKOSA-N 369.494 2.802 0 50 FFAA CCN1CCCC[C@H]1CNC(=O)CC(=O)Nc1cccc(Cl)c1C 823113181 IVOZECAABQETAL-AWEZNQCLSA-N 351.878 2.968 0 50 FFAA Cc1nnc(CCCC(=O)N2CCC[C@H](c3cccc(O)c3F)C2)n1C 1875299769 VIPUTVASWHSROC-AWEZNQCLSA-N 360.433 2.697 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2cccc(-c3ccncc3)n2)cc1 1875328293 JYNPDVCZRJWTPX-UHFFFAOYSA-N 353.403 2.571 0 50 FFAA Cc1nn(C)cc1C1=NO[C@H](C(=O)N[C@H](C)c2ccc3ccn(C)c3c2)C1 1875308510 JQIIQYAGSPJIHQ-BLVKFPJESA-N 365.437 2.591 0 50 FFAA Cc1nnc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)s1 1875393059 FBKODYMLPVMTQF-IWEFOYFVSA-N 357.483 2.752 0 50 FFAA CCO[C@@H]1COCC[C@@H]1Cc1nc(-c2ccn(C)n2)nn1CC(C)(C)C 1875349108 MWIGABTUVLXJNI-GDBMZVCRSA-N 361.490 2.709 0 50 FFAA O=C(NC[C@H]1CCCN(c2cnc(F)cn2)CC1)c1coc(C2CC2)n1 1875332015 JZSTZCIJZROWEF-LBPRGKRZSA-N 359.405 2.518 0 50 FFAA CCc1c(C)nn(CC(=O)Nc2cc(NC(=O)COC)ccc2C)c1C 952966334 GZCMVIGQYGOGEA-UHFFFAOYSA-N 358.442 2.594 0 50 FFAA O=C(O)[C@@H]1CCCO[C@H]1c1cnn(Cc2ccc(-n3cccn3)cc2)c1 886087969 GADXYZGHPVCGBY-MSOLQXFVSA-N 352.394 2.669 0 50 FFAA CN1CCc2cc(C(=O)N3CCCSC[C@H]3c3cnn(C)c3)ccc21 888888398 KFNALNOXTIHJDP-SFHVURJKSA-N 356.495 2.733 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@]12CCCc1ccccc12 170644234 XREQOOJLGKMTIA-UZLBHIALSA-N 368.506 2.855 0 50 FFAA CC(C)c1nnc2n1CCN(CC(=O)N(C)Cc1ccccc1F)[C@H]2C 189554772 UPICSBMINLLDOD-AWEZNQCLSA-N 359.449 2.576 0 50 FFAA Cc1cc(N2CCC([C@@H](O)c3cccs3)CC2)nc(N2CCOCC2)n1 1506399282 DHKBHVNBBGZYQK-GOSISDBHSA-N 374.510 2.633 0 50 FFAA O=C(N1C[C@@H](O)[C@H](Cc2cnccn2)C1)C1(c2ccccc2)CCCCC1 1529196450 ADJTZBITGCCJKY-YLJYHZDGSA-N 365.477 2.741 0 50 FFAA CCC[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H]1NC(C)=O 212955200 IQDHACIZDNNXKP-UNMCSNQZSA-N 357.542 2.930 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3C[C@@H](CO)C[C@@H](CN(C)C)C3)cc2)o1 220040740 XQQQBAQFFUNNLN-IRXDYDNUSA-N 356.466 2.887 0 50 FFAA Cc1nccn1CC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704300386 USENNSRXTCJPPQ-UHFFFAOYSA-N 364.449 2.763 0 50 FFAA COc1ccccc1-c1ccc(N2CCCN(C(=O)C3CCC3)CC2)nn1 1772807658 QRHPWGXDQPIWRV-UHFFFAOYSA-N 366.465 2.991 0 50 FFAA CCOC(=O)C1CCN(C(=O)c2ccccc2SCCOC)CC1 5027867 UVQZMYFWMIYLIN-UHFFFAOYSA-N 351.468 2.840 0 50 FFAA COc1ccc(-n2nnnc2SCCC(=O)Nc2ccc(F)cc2)cc1 11690374 GXCJJHPMFOMPPB-UHFFFAOYSA-N 373.413 2.931 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](CCC(=O)NC2CC2)C1 12443590 FZJVNVZYGDRBKL-INIZCTEOSA-N 373.497 2.629 0 50 FFAA COc1ccc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)cc1C 14530774 GAGHIYWFRQQBNX-UHFFFAOYSA-N 373.497 2.888 0 50 FFAA CCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 16468231 NGXFMHCQXVJVAH-GFCCVEGCSA-N 362.430 2.731 0 50 FFAA Cc1ccccc1-c1ncc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cn1 1857693818 NYDXTYMCDBRJCF-SFHVURJKSA-N 367.449 2.765 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)cn1 1857705071 RISPKVJYWBIALL-UHFFFAOYSA-N 372.446 2.854 0 50 FFAA COc1ccc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)c(OC)c1C 1857709396 VNQYBOYXDXYTJL-CQSZACIVSA-N 355.438 2.887 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)c3cccnc3C)[C@H]3CC[C@]2(C1)O3 1857725354 RXBMGAAGPGEFEM-QEUVDIPISA-N 355.482 2.565 0 50 FFAA CCOC(=O)c1cccc(N2C[C@@H]3[C@@H](C(=O)OCC)[C@@H](C)C=C[C@H]3C2)n1 1857728727 AQACGFDFIZBHEF-XSWJXKHESA-N 358.438 2.696 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4c[nH]nc4-c4ccccc4)[C@@H]2CC(=O)N13 1857741135 DPVXADUDZLIBJR-UEXGIBASSA-N 366.465 2.634 0 50 FFAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCN(c2ccc(Cl)cn2)CC1 1875245860 BAGHDYSGIKBELN-QZTJIDSGSA-N 370.884 2.877 0 50 FFAA Cc1nc2c(c(Nc3cnn(CC(=O)NC4CCCC4)c3)n1)CCCC2 302052719 OXDZQMGTGUHOSI-UHFFFAOYSA-N 354.458 2.663 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)cc1F 212657042 DUWFKIKPAVSAQZ-AEFFLSMTSA-N 369.440 2.966 0 50 FFAA Cc1ccsc1C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328617247 CNZRJDVRWKCOMV-HNNXBMFYSA-N 358.467 2.660 0 50 FFAA O=C(CN1CCC[C@@H]1C(=O)O)NCc1ccc(-c2ccc(Cl)cc2)o1 238093703 YERGFAPAZOSQRQ-OAHLLOKOSA-N 362.813 2.765 0 50 FFAA Cn1cc([C@H]2CSCCN2C(=O)NC[C@H]2CC(C)(C)OC2(C)C)cn1 927625738 DLSDGJOWCLNZEJ-HUUCEWRRSA-N 366.531 2.813 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCC(N)CC1 237621520 CSADVWJBTVWNSR-VIFPVBQESA-N 361.667 2.820 0 50 FFAA COc1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c(OC)c1 804213 QZXARJQKDNHPAC-UHFFFAOYSA-N 373.800 2.649 0 50 FFAA C[C@H](NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)c1ccccc1 1148100 SMTTUPBMMFHDKF-LBPRGKRZSA-N 362.393 2.546 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccccn2)nc1 1350072478 MYYXEGDPWAHVAZ-UHFFFAOYSA-N 359.389 2.918 0 50 FFAA Cc1c(C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cnn1CC(F)(F)F 2325793524 YRKPRBLROWMSSC-VIFPVBQESA-N 355.316 2.943 0 50 FFAA Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H]1CC12CCC2 2325822690 JCKUFASJEIRTOT-ZDUSSCGKSA-N 365.389 2.665 0 50 FFAA C[C@@H](NC(=O)c1c[nH]nc1OCC(F)(F)F)c1ccc(C(=O)O)cc1 2325870887 SYIOTOUNFJUZCP-MRVPVSSYSA-N 357.288 2.540 0 50 FFAA COc1cccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)c1 821504 ONFQKRBCXAERQQ-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3OC)C2=O)cc1 846385 MJHGOUHEDVMVPS-SFHVURJKSA-N 368.433 2.558 0 50 FFAA CCOC(=O)[C@@H](CC)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958741 GAYCJNLFOJGZEU-LLVKDONJSA-N 366.439 2.846 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(OC)cc2OC)C1 2841430 FOLUQVSQXWMLSL-LBPRGKRZSA-N 352.456 2.676 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1 3612972 YWOXJGIDSMLTGU-LLVKDONJSA-N 368.842 2.654 0 50 FFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ncccn2)CC1 7525714 BWTDCOIQEJSZJS-MRXNPFEDSA-N 368.481 2.890 0 50 FFAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 225410922 DOGOQDSKZRGUID-CHWSQXEVSA-N 350.463 2.591 0 50 FFAA COc1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3)CC2=O)c(OC)c1 8217688 ZLUNUCGLBACGLK-MRXNPFEDSA-N 368.433 2.715 0 50 FFAA COc1cc(Br)ccc1CCCOn1nnc2cccnc21 225544037 XPWVNRHTRULZJJ-UHFFFAOYSA-N 363.215 2.659 0 50 FFAA CN(C)c1n[nH]c(C2CCN(c3nccc(Oc4ccccc4)n3)CC2)n1 225813180 UESZDUUFYHRBOI-UHFFFAOYSA-N 365.441 2.837 0 50 FFAA Cc1ccccc1N1CCN(Cc2cccc(OCC(N)=O)c2)[C@@H](C)C1 106986866 KBHDUTCAPLPZHJ-KRWDZBQOSA-N 353.466 2.570 0 50 FFAA C[C@@H]1CNC(=O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccncc1 67654968 WURKGNMQJVNJHA-MRXNPFEDSA-N 361.449 2.645 0 50 FFAA Cc1cc2nc(C(=O)NCCOCc3ccc(Cl)cc3)cc(C)n2n1 102537129 QNBFOOMHWLZCRJ-UHFFFAOYSA-N 358.829 2.946 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N2CCC[C@H](C(C)(C)O)C2)n[nH]1 67770310 QLGXWZACQXVXPD-AWEZNQCLSA-N 373.453 2.620 0 50 FFAA CCn1nc2c(c1C)[C@H](c1cc(Cn3cncn3)c(C)cc1C)CC(=O)N2 65509061 XZWXEQHGHLJJBF-KRWDZBQOSA-N 364.453 2.942 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2Cc3cnc(CC(C)C)nc3C2)cc1 67695235 OBHSBAIEWFEINP-UHFFFAOYSA-N 352.482 2.958 0 50 FFAA COc1ccccc1CN1C(=O)O[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]21 64110769 OWCUWHXTGSJVQD-PKOBYXMFSA-N 353.422 2.604 0 50 FFAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1ncn[nH]1 67678390 XHCBKGAVRVNSEM-UHFFFAOYSA-N 363.299 2.941 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@@H](c2cccc(OC)c2)[C@H](O)C1 65374987 MWEDPSWZISNAKF-MAUKXSAKSA-N 363.889 2.995 0 50 FFAA O=C(COc1ccc(Br)cc1)Nc1ccc(O)cc1C(=O)O 4919663 WOXGEXLXCMSLEG-UHFFFAOYSA-N 366.167 2.870 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1nn2cc(C)cnc2c1Cl 215191089 DSHIBYNCJGGSSH-CQSZACIVSA-N 374.828 2.592 0 50 FFAA COCc1cc(CN2CCCN(Cc3ccncc3)CC2)ccc1OC 215088572 XNIOMSZNSSGVJY-UHFFFAOYSA-N 355.482 2.945 0 50 FFAA CCn1ncnc1CNC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 366286034 RGLFGYJGTUMJOR-UHFFFAOYSA-N 367.457 2.503 0 50 FFAA O=C(Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)NC1CC1 77505988 WRIXMOBSLSBTGI-UHFFFAOYSA-N 368.824 2.633 0 50 FFAA CC(=O)N1CCc2c(nc(C)nc2N(C)CCOc2cc(C)ccc2C)C1 71751527 UOTFANVZTWFWMB-UHFFFAOYSA-N 368.481 2.822 0 50 FFAA Fc1cccc([C@H]2CN(CC3CCNCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 71736014 GYHABXLCFQZJHD-DUXKGJEZSA-N 361.480 2.826 0 50 FFAA Cn1ncc2c(NC[C@H](O)c3ccc(O)cc3)nc(C3CCCC3)nc21 72429122 LIMJXIGBBWVKOJ-INIZCTEOSA-N 353.426 2.872 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc(CO)cc3)CC2)OC1=O 72410932 VAKLABSBTAOAHA-OAHLLOKOSA-N 360.454 2.795 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cccc4ccnn34)C2)CCC1=O 77489559 JRMHVGDYQNZDHF-NRFANRHFSA-N 368.481 2.979 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C 77375625 OWGDAIXCMMRSEM-AWEZNQCLSA-N 358.891 2.718 0 50 FFAA CCc1cc(N2CCC(N3CCN(CC)CC3)CC2)n2nc(C)c(C)c2n1 72417867 DJHJXTRDFXJUOY-UHFFFAOYSA-N 370.545 2.515 0 50 FFAA C[C@@H](Oc1ccccc1CN1CCCN(Cc2cccnc2)CC1)C(=O)O 72158339 YRVCBRSIFDPUHE-QGZVFWFLSA-N 369.465 2.641 0 50 FFAA COc1cccc([C@H]2CN(Cc3cnn(C)c3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72170468 HAWQNXHUPQYFEL-YPAWHYETSA-N 366.509 2.799 0 50 FFAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 333987043 HGWAOUBKXLJPGE-INIZCTEOSA-N 364.405 2.657 0 50 FFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(CO)n2)C1 77453176 NRYNAGNIYUHYPX-QGZVFWFLSA-N 352.434 2.628 0 50 FFAA Cc1ccc2oc(C(=O)NC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)cc2n1 285196209 IMICVDJPAHXEIJ-IFXJQAMLSA-N 367.453 2.683 0 50 FFAA C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nc2cccnc2s1 241301035 LPVXNGSRVOTRSF-MNOVXSKESA-N 362.455 2.819 0 50 FFAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nc(=NC)cc(C)[nH]2)cc1 426478062 SFNGHAAFXBBKPZ-SFHVURJKSA-N 368.481 2.947 0 50 FFAA O=C(NCc1cnc2ccccc2c1)N1CCCO[C@@H](CN2CCCC2)C1 426602574 XRIJUZRMRMBPMR-IBGZPJMESA-N 368.481 2.631 0 50 FFAA COc1c(C)cc(C)cc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82098218 DNPQDRDNNJSIAY-JOCHJYFZSA-N 374.525 2.899 0 50 FFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCO[C@@H](C(=O)O)C3)c2c1 178281116 PACYRTAGDRZRIV-QGZVFWFLSA-N 354.406 2.655 0 50 FFAA COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(N)=O)ccc2c1 223008492 AJJDOHSKAKFTSC-UHFFFAOYSA-N 356.403 2.748 0 50 FFAA COc1ccc(CN(C)C(=O)NCc2n[nH]c3c2CCC3)c2cccnc12 426503129 VTHVLUJOSDHAAO-UHFFFAOYSA-N 365.437 2.797 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 92002138 AFGFCDLUBKYIBZ-LJQANCHMSA-N 357.542 2.720 0 50 FFAA Cn1ccnc1C1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 91595733 AWWDVAFRZHPCGY-MSOLQXFVSA-N 372.513 2.555 0 50 FFAA Cc1nc(C)c(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)s1 426544500 UPORRWBJSYKLLA-UHFFFAOYSA-N 359.495 2.879 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 91605110 STMURXYITSWAIK-ZDUSSCGKSA-N 362.861 2.524 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1ccc(C(=O)O)cc1)CC2 91745899 BYIIYTIIAWWUIG-UHFFFAOYSA-N 374.481 2.626 0 50 FFAA O=C(NCc1cc2cc(F)ccc2[nH]1)N1CCCO[C@H](CN2CCCC2)C1 426493359 ZVNFBECDDMWAOG-GOSISDBHSA-N 374.460 2.703 0 50 FFAA CCCc1nc(C(=O)N2CCC(c3nccn3CCOC)CC2)cs1 95512426 HWKPZTWNNRQKGE-UHFFFAOYSA-N 362.499 2.958 0 50 FFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 95512158 RXISVJJJSIGSHK-UHFFFAOYSA-N 374.481 2.719 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 91254712 YURBBLUPDWIVBL-QGZVFWFLSA-N 360.502 2.586 0 50 FFAA COc1ccc2c(C)c(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)oc2c1 91424966 VIVWVXUMGKHSRE-QGZVFWFLSA-N 364.401 2.802 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCOc2ccc(CO)cc2C1 91305736 FNYRIDANCDWQQF-UHFFFAOYSA-N 355.438 2.985 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@@H]1CN1CCCC1 95374975 VMJDDHQWTJNZSS-GOSISDBHSA-N 351.454 2.629 0 50 FFAA COc1ccc2cc([C@@H]3CN(C(=O)Nc4cn(C)nn4)CCO3)ccc2c1 97499536 UGFFTRHVIQANLB-KRWDZBQOSA-N 367.409 2.582 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H](C)c3cn4ncsc4n3)cc2nc1C 95358659 XONZCKIILLCMGK-LLVKDONJSA-N 352.423 2.842 0 50 FFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@H](CC(=O)O)C1 237540874 VVLWDJPRKOTYLH-BXUZGUMPSA-N 359.344 2.586 0 50 FFAA CC[C@H](O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91737501 ICNWAJOHCLNGQK-KRWDZBQOSA-N 352.425 2.550 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c(C)n1 95379521 WJOXVBAEEVBNDI-RTBURBONSA-N 350.466 2.830 0 50 FFAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1ccc(Cl)c(Cl)c1)CC2 95387930 JRNUCXHJAKAASM-GFCCVEGCSA-N 371.264 2.891 0 50 FFAA O=C(NCCCn1nnc2ccccc21)c1ccc([C@@H]2CCCNC2)cc1 95369118 RDPLKOMXLPSITE-GOSISDBHSA-N 363.465 2.718 0 50 FFAA O=C(c1cn2cccnc2n1)N(Cc1ccncc1)C[C@H](O)c1ccccc1 97307653 HJPKCMLIHDAOTM-IBGZPJMESA-N 373.416 2.500 0 50 FFAA O=C(NCCSC1CCCCC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95520675 IJWHTRHYWBACSX-MRXNPFEDSA-N 361.511 2.612 0 50 FFAA CC1(C)CN(C(=O)c2cc3n(n2)CCC3)C[C@H](COc2ccccc2)O1 297165074 SDDKCRINODYJJE-QGZVFWFLSA-N 355.438 2.528 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 299743125 LYDLREABJYIISG-XBFCOCLRSA-N 352.228 2.876 0 50 FFAA O=C(O)COc1ccc(CCNC(=O)[C@H]2SCCc3ccccc32)cc1 299750764 OHTMCOUFCPOKOQ-IBGZPJMESA-N 371.458 2.839 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CSc3ccccc3O2)cc1C(=O)O 299750972 OYAPUNNNKOCRHJ-OAHLLOKOSA-N 359.403 2.563 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCCC1)NCC1(O)CCCCC1 534666950 REVYVVYOCPDKDS-GOSISDBHSA-N 363.477 2.957 0 50 FFAA COc1cccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)c1 263616319 IBFQJHRUNWAVBH-HXUWFJFHSA-N 362.433 2.899 0 50 FFAA Cc1ccc2c(-c3ccc(C(=O)N(C)C[C@H](O)CO)cc3)ccnc2c1C 534642914 YZDSIZOGTMDSNB-SFHVURJKSA-N 364.445 2.944 0 50 FFAA Cc1nn(CCCNc2cc([C@H]3CCOC3)nc(N)n2)c(C)c1Cl 299782930 MZPHMOKLYBTMKA-LBPRGKRZSA-N 350.854 2.532 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)Cc1ccnc(C)c1 299788965 UTFROZFMXICZDT-UHFFFAOYSA-N 368.437 2.955 0 50 FFAA CC1(C)CCN(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)CC1 822299663 VGYQMBICQALANQ-UHFFFAOYSA-N 366.527 2.691 0 50 FFAA Cc1ccc2nc(CNC(=O)N3CCN(c4ccccn4)CC3)[nH]c2c1C 584900963 RHULLDUVXWFTJC-UHFFFAOYSA-N 364.453 2.607 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)N(C)Cc2cc(-c3ccncc3)no2)n1 584902005 XFWDKTQIMJAEGH-OAHLLOKOSA-N 368.441 2.953 0 50 FFAA COCCn1nnc2c1C[C@H](c1nc(-c3cccc4[nH]ccc34)no1)CC2 952895013 QIKDMMDIHUKULQ-GFCCVEGCSA-N 364.409 2.728 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1Cl 952991011 YZEXLGAMIDEYHA-UHFFFAOYSA-N 358.732 2.769 0 50 FFAA C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 1875252733 MZYSLKKKMFKCAC-RFGFWPKPSA-N 364.877 2.521 0 50 FFAA C[C@H]1CCCCN1c1cc(C(=O)NC[C@@H]2CC3(CCOCC3)O2)ccn1 1875325691 SSKLKCNSQRFYGV-RDJZCZTQSA-N 359.470 2.528 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CCn2c(C)nc3ccccc32)cc1 772066234 VSMFDVWIOFCINR-UHFFFAOYSA-N 366.421 2.958 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cccc(-c2ccoc2)c1 1875402682 JZXVOFJPUPLHPB-NIKGAXFTSA-N 351.406 2.713 0 50 FFAA CCn1c(CNC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)nc2ccccc21 1875401958 XGDJCUHFWNFYTA-QWHCGFSZSA-N 367.453 2.742 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875402136 CGXRRUUOGRBFKT-FVQBIDKESA-N 353.422 2.761 0 50 FFAA CC(=O)N1C[C@H](Nc2nccc(C(F)(F)F)n2)CC[C@@H]1C(F)(F)F 886056932 WUXDQMOAPANQAL-PSASIEDQSA-N 356.270 2.849 0 50 FFAA C[C@H](c1nc(O)c2ccccc2n1)N1CCN(c2cncc(F)c2)CC1 270979339 XCWDDCYJAALXTP-CYBMUJFWSA-N 353.401 2.753 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3nccc4ccccc34)CCO2)o1 275419313 QZGBWIPXAWUSEL-HNNXBMFYSA-N 352.394 2.955 0 50 FFAA CCc1nc(C2CCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)n[nH]1 191543651 NMNMXHRHASVOCX-UHFFFAOYSA-N 356.455 2.839 0 50 FFAA CC1(C(=O)NCc2nc3cccnc3[nH]2)CCN(Cc2ccccc2)CC1 194224906 GJGPRPYGUGXWBS-UHFFFAOYSA-N 363.465 2.876 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c(C)n1 1704340386 HYUXFJDFORTXMK-OAQYLSRUSA-N 365.481 2.675 0 50 FFAA O=C(c1ccoc1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 12198438 NPWQZXIWDYYWOF-OAQYLSRUSA-N 352.434 2.977 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)C1 12209848 RCWSTUFNIUATSY-OAHLLOKOSA-N 367.453 2.615 0 50 FFAA CC(C)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12210376 SEMXFSQIUDYJFF-UHFFFAOYSA-N 367.921 2.883 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12300065 KUOZJGXCCCYEFV-CQSZACIVSA-N 364.396 2.941 0 50 FFAA COc1cc(CNC(=O)c2cn(Cc3ccccc3C)nn2)cc(OC)c1 14964626 DTMPMJTWVFYSED-UHFFFAOYSA-N 366.421 2.582 0 50 FFAA O=C1CCCN1CC1CCN(Cc2nc(Cc3ccccc3F)no2)CC1 15069539 QCGSFYYMEDTUCF-UHFFFAOYSA-N 372.444 2.634 0 50 FFAA COCCN(Cc1cc[nH]n1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 15075100 AMXHUBIMFBHPEL-SFHVURJKSA-N 368.525 2.738 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3ccc([C@@H]4CCCN4)s3)CC2)c1 19745981 SWGYAMINXUBZNR-HNNXBMFYSA-N 356.495 2.838 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(CCCn3cccn3)CC1)OCC2 1857703334 ZVBUXTLPZGQNNL-UHFFFAOYSA-N 361.467 2.597 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1 1857709936 ZBWDZXIIDYYLPB-MFMILTCTSA-N 367.445 2.974 0 50 FFAA CSCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)c(C)c3)C[C@]23CC[C@H]1O3 1857722947 QSFBFHOIYCFLEP-QEUVDIPISA-N 374.550 2.762 0 50 FFAA O=C1CCCCN1CCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857726296 KVXVFLYBFUFMGX-RBUKOAKNSA-N 356.466 2.768 0 50 FFAA CCOc1ccccc1NC(=O)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1875246307 LDBMUPYFFXMODH-VQIMIIECSA-N 362.426 2.555 0 50 FFAA COCc1ccsc1C(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 328615183 YALWGISQNVJIMV-GFCCVEGCSA-N 351.428 2.615 0 50 FFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1sc(CC(C)C)nc1C 485128708 FZAKPLPNPUVPRO-OAHLLOKOSA-N 357.479 2.968 0 50 FFAA O=C(NC[C@@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2n[nH]cc2C1 852212815 DWHZXAWIPJVLIL-IAQYHMDHSA-N 369.252 2.607 0 50 FFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccccc2)c2c1[C@@H](C)CC2=O 2325702319 PVXAUVATHMSKNA-ZDUSSCGKSA-N 373.430 2.569 0 50 FFAA CC[C@@H](Oc1ccc(CO)cc1)c1cn(CC[C@H]2CC(C)(C)NC2=O)nn1 2325772829 RZGMYUOPHOMSRC-MAUKXSAKSA-N 372.469 2.605 0 50 FFAA CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc2c(s1)CCCNC2 2325778136 BZIVIDGYMQNROH-UHFFFAOYSA-N 367.478 2.637 0 50 FFAA O=C(CCC(=O)c1cccc(Cl)c1)N[C@@H]1C(=O)NCc2ccccc21 2325851241 SWNCSKMRCQDARI-SFHVURJKSA-N 356.809 2.790 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(Br)c(F)c2)C1 2325888295 DOOCBJRJKLYQOF-GFCCVEGCSA-N 369.234 2.629 0 50 FFAA COC(=O)c1nc(-c2ccc(C)cc2)oc1S(=O)(=O)N1CCCCC1 1857798713 ZZZZLYBHZBIQFP-UHFFFAOYSA-N 364.423 2.611 0 50 FFAA COc1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 628999 DTHHLIHNAMJJEY-HNNXBMFYSA-N 357.387 2.818 0 50 FFAA COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1 899074 GMQFOKBGMKVUQZ-UHFFFAOYSA-N 374.345 2.906 0 50 FFAA biogenic,in-vitro COc1ccc(N2C(=O)N(c3cccc(C)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1109273 POOWTJLPWKAPNC-ROUUACIJSA-N 372.446 2.616 0 50 FFAA O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 1144410 OXINMFSDSHDHMI-UHFFFAOYSA-N 358.341 2.622 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1C 246005454 SHWSKJKLDZKNMZ-HZPDHXFCSA-N 351.468 2.916 0 50 FFAA Cn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1ccncc1 3578155 IKIOLEDOWDPEEZ-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA CN1C(=O)N(C)C2(c3ccccc3)N(C)C(=O)N(C)C12c1ccccc1 4992091 PQKRTQUJHIMPOI-UHFFFAOYSA-N 350.422 2.687 0 50 FFAA COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 9197424 JLYNJMJFXMBFKD-CQSZACIVSA-N 367.405 2.645 0 50 FFAA COc1ccccc1[C@@H]1CCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 246843885 MPQKDBMEGOXFMP-INMHGKMJSA-N 370.449 2.534 0 50 FFAA CCc1nccn1CCCNC(=O)CCC(=O)Nc1cc(C)ccc1F 55324935 IKZXXGZWMQNTKU-UHFFFAOYSA-N 360.433 2.818 0 50 FFAA Cc1ccc(C2(C(=O)N3CCC(c4cc(=O)[nH]c(C)n4)CC3)CC2)cc1 23153514 NAEQQJNYOKYEJR-UHFFFAOYSA-N 351.450 2.825 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC3(CCNC(=O)CC3)CC2)c1 67786765 ZJOLZYJWZUOHJH-UHFFFAOYSA-N 368.481 2.763 0 50 FFAA CCn1c(C2CCNCC2)nn(Cc2csc(-c3ccccc3)n2)c1=O 65410746 SQTBUSSPCWBOJL-UHFFFAOYSA-N 369.494 2.704 0 50 FFAA CC(C)c1noc([C@H]2CCCN(C(=O)c3cnnn3-c3ccccc3)C2)n1 65393826 FIFUUGCEODNDDT-AWEZNQCLSA-N 366.425 2.794 0 50 FFAA Cc1c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1-c1ncco1 427311495 CKNWPWVGNNGZLM-UHFFFAOYSA-N 369.402 2.945 0 50 FFAA COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)nc1 123561068 XKQLQROUHJMILY-KRWDZBQOSA-N 363.421 2.518 0 50 FFAA O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 72437931 VPKLIJXHDFTIPO-MRXNPFEDSA-N 366.483 2.663 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccccc2Cn2cccn2)C1 77458430 FYFXDLNMXQJJMH-LJQANCHMSA-N 363.465 2.760 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)c2o1 72474408 JCEGQXJDCPQTIB-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC(c2nnc3ccccn23)CC1 77285335 LDQCBTARHHLLBN-UHFFFAOYSA-N 372.432 2.935 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nnc4n3CCCCC4)C2)n1 363201895 JNVCEQXJIXSJLO-MRXNPFEDSA-N 368.485 2.559 0 50 FFAA O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@H]1CC[C@H]1NC1CCCCC1 72138760 ZGVXJXMHCSOREQ-CVEARBPZSA-N 374.460 2.788 0 50 FFAA Cc1cc(NC[C@@H](c2cccnc2)N2CCOCC2)n2nc(C)c(C)c2n1 72473508 PVCWNJWHUXAHAY-SFHVURJKSA-N 366.469 2.535 0 50 FFAA COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(OC)c1C 72157657 GBISTYBIZKGVDQ-HNNXBMFYSA-N 357.454 2.784 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 237957353 OIHYBHPPNZZYGY-INIZCTEOSA-N 355.438 2.908 0 50 FFAA Nc1ncccc1CN1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72169676 FQHMUXQCMZOGEP-VAMGGRTRSA-N 352.457 2.865 0 50 FFAA CN1CCC[C@@H](C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)C1 215037855 WSJFHMUALAPAOV-CQSZACIVSA-N 358.873 2.957 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CCN(c4ccccc4)CC3)n2)c1 71748120 WTAAUKSABXMSOY-UHFFFAOYSA-N 361.405 2.563 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc2nnnn2c1 72457413 KESAWIOCZZVSQS-UHFFFAOYSA-N 356.436 2.582 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CN1CCO 77422090 BUKMJCOMDYQSMN-SFHVURJKSA-N 370.415 2.902 0 50 FFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 452976943 OXUVUZOQIPAWKH-DNVCBOLYSA-N 357.360 2.642 0 50 FFAA CC[C@@H]1CN(C(=O)CCCn2cccn2)CCC(=O)N1Cc1ccccc1 71388623 CELNSVJNUPCTSM-LJQANCHMSA-N 368.481 2.703 0 50 FFAA Cc1ccc(-c2nnn[nH]2)cc1-n1ccnc1-c1ccc2c(c1)OCCO2 72476865 YIAUZHPZEYOLAE-UHFFFAOYSA-N 360.377 2.799 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)s2)C1 77469930 ZATRPHPYRDNVPN-ZDUSSCGKSA-N 355.467 2.967 0 50 FFAA C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccn1 131116493 XNPAGPQGCIMMCZ-QAPCUYQASA-N 352.438 2.633 0 50 FFAA COc1ccc(N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)nc1 456978355 HHOFSFBILZMRCY-IBGZPJMESA-N 351.450 2.859 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)CCC1=O 72419714 RCJRNSIMTJPKHL-NRFANRHFSA-N 366.465 2.941 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3cc(O)nc(C)n3)c12 223486406 XHZKKWACVXNZAQ-UHFFFAOYSA-N 366.421 2.527 0 50 FFAA COCc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c2cc(F)ccc2n1 290999117 UVODQGMWHDDDFU-UHFFFAOYSA-N 366.458 2.924 0 50 FFAA CCCc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n(C)n1 222546449 POZVXPORWPJONM-LAGYLCCXSA-N 369.465 2.550 0 50 FFAA C[C@H](NC(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 136013601 RDEWYBMLIKNVTQ-AWEZNQCLSA-N 360.454 2.662 0 50 FFAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)N1CCC(Oc2ccncc2)CC1 426503550 QVGOJWGTIXISBZ-FXAWDEMLSA-N 372.513 2.899 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c(OC)c1 82096331 ZYOCXEVHVCURHK-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA Brc1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)o1 178279061 ICUVFQPMSAVKDL-UHFFFAOYSA-N 373.170 2.794 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CC=C(c2ccccc2)CC1 426509277 DICUFGNGAORSBG-LJQANCHMSA-N 350.466 2.666 0 50 FFAA CCc1cccc(OC2CN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)c1 82107329 HWSNTRYWEBAPPE-MRXNPFEDSA-N 356.466 2.630 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)o1)N1CCN(C2CCCCC2)CC1 426599503 GAMAYQVLGGWYCM-UHFFFAOYSA-N 369.469 2.897 0 50 FFAA CNC(=O)C(C)(C)NC(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 426575003 KHXCYMFZCLCSJK-OAHLLOKOSA-N 361.417 2.765 0 50 FFAA CN(CC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1)c1ccccc1 91586116 LXQZKIHJUGBZRT-QGZVFWFLSA-N 363.421 2.932 0 50 FFAA CCn1cnnc1[C@@H](C)NC(=O)N(CCOC)Cc1ccccc1Cl 426523238 TXHPFTOBMCOKFV-CYBMUJFWSA-N 365.865 2.871 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2Cl)CC1 91305460 UWEDYMDQQBPBDN-CYBMUJFWSA-N 362.857 2.721 0 50 FFAA O=C(C[C@H]1COCCN1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91441083 VJKXUWYXBSNFTH-NRFANRHFSA-N 364.489 2.974 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cn2ccccc2n1 97475123 IJMZINVQIREOCO-UHFFFAOYSA-N 363.421 2.924 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)[nH]n2)c1 95512768 RPSWFDDBXBZPSI-GOSISDBHSA-N 365.389 2.511 0 50 FFAA Cc1cccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 91656758 NBXYKKSQXIKHCF-RBUKOAKNSA-N 363.461 2.696 0 50 FFAA CC(=O)c1cc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n(C)c1 95375916 MOYAUXXLZJQMPB-FQEVSTJZSA-N 365.477 2.866 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN(C4CCCC4)C3)CC2)no1 95379282 ULBYZCRHWSEMIU-QGZVFWFLSA-N 360.502 2.814 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC2(CC1)OCCC[C@@H]2O 91325269 ASPQPAZMMROECS-IBGZPJMESA-N 358.482 2.823 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 91535523 GDCMZBGVQHUUJD-INIZCTEOSA-N 372.444 2.776 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)C[C@H]1[C@]13O[C@]12[C@H]1CC[C@H]3C1 257356064 FLSJOHCNSGTBJL-DEJSEOMNSA-N 362.498 2.679 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 252522883 BIVRAMSKAGVQDZ-DSKINZAPSA-N 366.461 2.930 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)c1cc2c(nc1O)CCCC2 253537287 JVUZVVFRYQIBNE-UHFFFAOYSA-N 356.426 2.679 0 50 FFAA C[C@@H]1CCCCN1C1CN(Cc2cc(Cl)ccc2OCC(=O)O)C1 252499377 RZSWMPNOQUUTEK-CYBMUJFWSA-N 352.862 2.862 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2cc(F)ccc2OCCCN)C1 299788752 WRALBHHMAYQCTH-NRFANRHFSA-N 372.440 2.595 0 50 FFAA Cn1nc(C(C)(C)C)cc1NC(=O)N1CCOc2ccc(CO)cc2C1 299795160 LOXNWUTUCMWQKY-UHFFFAOYSA-N 358.442 2.636 0 50 FFAA CCc1noc(CCNC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)n1 299798360 RFCHGUZVYVNDTK-GFCCVEGCSA-N 357.414 2.512 0 50 FFAA Cc1ccc2nc(CNC(=O)COCc3nc4ccc(F)cc4[nH]3)[nH]c2c1 828026380 UNGLKJIQELGBNA-UHFFFAOYSA-N 367.384 2.720 0 50 FFAA CC(C)O[C@H]1CN(C(=O)CSC23CC4CC(CC(C4)C2)C3)C[C@@H]1O 584888048 OBYMRYUCAVSDLW-XSXXDBAGSA-N 353.528 2.685 0 50 FFAA Cc1ccc(CC2(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)CC2)cc1 584895766 RGDZVMFKBMGZJQ-IBGZPJMESA-N 359.514 2.822 0 50 FFAA CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-c2cnc3nncn3c2)cc1 584884311 UXSSTABZBSWTHQ-GOSISDBHSA-N 365.437 2.678 0 50 FFAA Cc1ccc(/C=C/CC(=O)N2CCCC[C@H]2c2n[nH]cc2C(N)=O)cc1 864928411 GRYIRZBDPDXYIR-BDUNBXCCSA-N 352.438 2.974 0 50 FFAA Cn1cc(-c2noc([C@]3(C(F)(F)F)CCN(c4ccccn4)C3)n2)cn1 952895352 SZIGDMDSVIMIRI-HNNXBMFYSA-N 364.331 2.576 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C)o1 952852863 ZLAFQBKRZVKULH-ZFWWWQNUSA-N 359.474 2.802 0 50 FFAA C[C@@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1)c1ccccc1 1875300000 GYFWVFJIAHKKFG-DOMZBBRYSA-N 367.405 2.546 0 50 FFAA Cc1ccc(C(=O)N(C)C2CCN(C(=O)c3ccc(C)s3)CC2)nn1 1875326473 DHZXFAWSTPLLAW-UHFFFAOYSA-N 358.467 2.532 0 50 FFAA C=CC(=O)NCC1(NC(=O)Cn2ccc3ccc(F)cc32)CCCCC1 1875386381 OVYHWIXQKYPNAC-UHFFFAOYSA-N 357.429 2.902 0 50 FFAA CC(=O)N1CCC2(CCc3ccc(OC[C@H]4C[N@]4CC4CC4)cc3O2)CC1 1875385038 LKBVPCVMLYEBCZ-DVECYGJZSA-N 370.493 2.866 0 50 FFAA COc1ccccc1CC(=O)NC[C@@H]1CCCN(C2CCSCC2)C1 952871970 FNBHEAMBMRBDLW-INIZCTEOSA-N 362.539 2.962 0 50 FFAA COc1nn(C)cc1C(=O)NCCc1ccc(-c2csc(C)n2)s1 883956734 ZWABNKLWIWLIBP-UHFFFAOYSA-N 362.480 2.895 0 50 FFAA COc1cccc([C@@H]2CCN(S(=O)(=O)c3cnc(O)s3)C2(C)C)c1 882625579 CYVFXFBCIIVWJK-ZDUSSCGKSA-N 368.480 2.814 0 50 FFAA CC(C)c1nccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)n1 1565506108 XFKHPOUWHUZHCM-WMZOPIPTSA-N 355.438 2.704 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C2CCOCC2)n1 275280481 KNAYNQCCVJGMDD-IRXDYDNUSA-N 371.437 2.781 0 50 FFAA O=C(O)COc1cccc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)c1 170592063 NJBHYPPJOKWDSJ-RMKNXTFCSA-N 363.373 2.988 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@@]2(C1)OCc1ccccc12 195457682 WLNRLEWDIIRYIP-IBGZPJMESA-N 359.447 2.824 0 50 FFAA O=C(c1cccnc1N1CCC([C@@H](O)c2ccccn2)CC1)N1CCCC1 1529161622 NCRUFLPEUJGNIO-LJQANCHMSA-N 366.465 2.663 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cccnc3SC)C[C@@H]2C(=O)O)c1 216467111 VFXBWLZJFPSPBP-CVEARBPZSA-N 372.446 2.753 0 50 FFAA Cc1ccc2oc(C(=O)N3CCN4[C@H](COC[C@H]4C4CC4)C3)c(C)c2c1 1615733549 IAEKDMLCIAEZJU-WMZOPIPTSA-N 354.450 2.985 0 50 FFAA CC(C)CCN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 11820925 WMWRPSRPPIWDOC-IBGZPJMESA-N 372.557 2.920 0 50 FFAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)o1 12479196 IFCCUPWZQBPCRR-MRXNPFEDSA-N 358.413 2.825 0 50 FFAA O=C(Cn1cc2ccccc2n1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12575644 BUDGTPAXMDIGOD-FQEVSTJZSA-N 374.488 2.784 0 50 FFAA COc1ccc(-c2n[nH]cc2[C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 13132434 KMCLMNZOPNBQFB-KRWDZBQOSA-N 359.393 2.531 0 50 FFAA Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2C)s1 13519610 CUSIQCUHHZXPHC-SNVBAGLBSA-N 374.495 2.685 0 50 FFAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccsc1)C2 14540612 MVVFFEFTNFVGSQ-OAHLLOKOSA-N 358.511 2.755 0 50 FFAA c1ccc(CN2CCN(CCN3CCn4c3nc3ccccc34)CC2)cc1 19973608 BPPMNFPLFOUIKM-UHFFFAOYSA-N 361.493 2.674 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@H](n3cc(-c4noc(C)n4)nn3)C2)c1 169777885 MGJBRJBOYFRJTK-INIZCTEOSA-N 366.425 2.731 0 50 FFAA O=C(c1onc2ncccc12)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857708560 ACKNPNLBVVNXNQ-UHFFFAOYSA-N 359.389 2.854 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(c2ccnc3[nH]ncc23)C1 1857709895 WWCDJWBMZVWJHI-FQEVSTJZSA-N 362.437 2.815 0 50 FFAA O=C1CCOC2(CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CN1 1857712806 UEVSVUFURWFOHZ-UHFFFAOYSA-N 371.359 2.608 0 50 FFAA COc1cccc(-c2ncc(CN3CCO[C@H]4C[C@H](CO)C[C@@H]43)s2)c1 1857718742 QXSUULVDEYIDCE-BVGQSLNGSA-N 360.479 2.790 0 50 FFAA C[C@@H](c1nc(C2CC2)no1)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328646978 SZNJKWFSVIJUPR-JLJPHGGASA-N 358.490 2.756 0 50 FFAA CN(Cc1nc2ccccc2n1C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328625648 DJYBSWKVITWMHI-HRAATJIYSA-N 366.513 2.822 0 50 FFAA COc1ccc2[nH]cc(CC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)c2c1 363399184 URJQOQDWIDOBOY-INIZCTEOSA-N 354.410 2.733 0 50 FFAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 162774000 LUDUWDHCESEHSD-MLGOLLRUSA-N 371.437 2.522 0 50 FFAA C[C@H]1CN(C(=O)c2cnc3ncnc(O)c3c2)CC[C@@H](c2ccccc2)O1 2325800892 LJZVTMIVIQLASG-GUYCJALGSA-N 364.405 2.723 0 50 FFAA N=c1ccc(CC2CCN(C(=O)[C@H]3CCNc4ccccc4C3)CC2)c[nH]1 2325804849 XJJCWPVIYOYSHL-IBGZPJMESA-N 364.493 2.950 0 50 FFAA CC(C)c1ccc(-c2csc(N3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)n2)cc1 2325866662 VJCHNZNHAZJVKI-GASCZTMLSA-N 355.463 2.985 0 50 FFAA CCn1cc([C@@H]2OCC[C@H]2CNc2ncccc2-c2nc(C)no2)cn1 886082246 OVEJEEOPWMWZNK-XJKSGUPXSA-N 354.414 2.846 0 50 FFAA Cc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 871639 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Cc1ccc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 116903344 XKRLKQWNEKOBOQ-UHFFFAOYSA-N 363.483 2.577 0 50 FFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)CCC(=O)NC1CCCC1 55211698 RFKVDNDPSQJITR-UHFFFAOYSA-N 354.454 2.874 0 50 FFAA CN(CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)Cc1ccccn1 67643007 MBQGLYWJDVSUEF-GOSISDBHSA-N 359.857 2.767 0 50 FFAA CCOc1cc(NC2CCN(c3ccnc4ccncc34)CC2)ncn1 466622423 DKGXMKYYMKJPDB-UHFFFAOYSA-N 350.426 2.899 0 50 FFAA CN(c1ccc(Cl)c(C(=O)NCc2ccc(F)cc2)c1)S(C)(=O)=O 67601898 JIKYLWVVRHNMIH-UHFFFAOYSA-N 370.833 2.805 0 50 FFAA COc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc(OC)c1 67690337 NZPYIWVRENLXLF-RBUKOAKNSA-N 371.433 2.783 0 50 FFAA Cc1ncoc1C(=O)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 20515432 GIJKWPVZVSBJGD-HNNXBMFYSA-N 353.353 2.918 0 50 FFAA CC(C)c1nn(C)c2c1[C@@H](c1ccc(Sc3nncn3C)o1)CC(=O)N2 65406128 CEVGHOSJHNQQSD-SNVBAGLBSA-N 372.454 2.890 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCc1ccccn1 20206004 UNLLEZLKHNBKNX-UHFFFAOYSA-N 372.557 2.669 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 120477622 FVDHJEOTNAPIFA-ZDUSSCGKSA-N 354.332 2.576 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)nc(C)n1 328638162 OZKZOHJOTAAHSL-INIZCTEOSA-N 371.510 2.677 0 50 FFAA Cn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O 61720974 QEDSZOOWLAYKFX-UHFFFAOYSA-N 365.408 2.640 0 50 FFAA CN(Cc1ccn(C)n1)C(=O)c1ccnn1COc1ccccc1Cl 2799367 JMUKRQLYIUXDAT-UHFFFAOYSA-N 359.817 2.579 0 50 FFAA O=C1C[C@@H](NC(=O)c2ccc(CSc3nnc[nH]3)o2)c2ccccc2N1 219244709 PMRIYLGGMDANKK-CYBMUJFWSA-N 369.406 2.503 0 50 FFAA O=C(CCc1ccncc1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72433355 SYXAMJWMSOCUDG-UHFFFAOYSA-N 354.406 2.539 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)c(C)n1 77453480 RMSXHXNXZPJFRB-OAQYLSRUSA-N 372.513 2.984 0 50 FFAA CNC[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 237119441 ZJHMUYIWLUSOAP-DLENHJPASA-N 351.450 2.884 0 50 FFAA COc1ccc2c(c1)C1(CC1)CN(S(=O)(=O)c1cccc3c1OCC3)C2 333632396 BBANCZRGNSZJMH-UHFFFAOYSA-N 371.458 2.866 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)c3n[nH]c4c3CCC4)C2)CCC1=O 77302420 ZJNBAQBYNAXWTL-NRFANRHFSA-N 372.513 2.789 0 50 FFAA CO[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C12CCC2 459527532 MRPVOUHSGQCODT-ZIAGYGMSSA-N 372.874 2.823 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(Br)nc2)C1 173409794 YPQJWXVCVUCUCV-LLVKDONJSA-N 370.247 2.583 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cnn4ccccc34)C2)c1 77485719 OZJJWGNIEHPMLY-CQSZACIVSA-N 351.406 2.981 0 50 FFAA CCc1n[nH]cc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77285562 DJZRRRMSERNSPB-HXUWFJFHSA-N 360.502 2.863 0 50 FFAA C[C@@H](c1cccc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)c1)N(C)C 71759976 TYCYOXSVCQZOLP-AWEZNQCLSA-N 370.478 2.809 0 50 FFAA COc1cccc2c1OCCCN(C(=O)c1n[nH]c3c1C[C@H](C)CC3)C2 216211516 PKQPNGBOYTYOLZ-CYBMUJFWSA-N 355.438 2.968 0 50 FFAA O=C(N1CC(c2cccnc2)C1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 72143809 MVIGVKRUMCFBME-XBLGPDGASA-N 363.465 2.595 0 50 FFAA CC(C)CCNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71752428 QZCALQDOWPSKRL-FQEVSTJZSA-N 372.557 2.920 0 50 FFAA O=C(O)c1ccc(CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 455621970 LHIPSXJXOLKUAG-UHFFFAOYSA-N 360.360 2.621 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3ccc(C)cc3OC)C2)CCC1=O 77437230 BEBFSTRZNKQYAH-OAQYLSRUSA-N 360.498 2.855 0 50 FFAA Cc1nn(CCO)cc1CN1CCC[C@H](c2nc(-c3ccccc3)no2)C1 215803398 IABZLAGCYQDFNT-KRWDZBQOSA-N 367.453 2.613 0 50 FFAA CCCc1ncncc1C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71750896 YTLDPXQDJXWRTP-GOSISDBHSA-N 358.486 2.538 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cn4c(C)cccc4n3)CC2=O)cc1 82108534 ZBXZIVXLIJZEMH-MRXNPFEDSA-N 362.433 2.829 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 223172300 DNJSPDABUCYOLQ-LBPRGKRZSA-N 358.419 2.649 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc(CC(C)C)nn3C)CC2)ccn1 82087432 ZTBFNVURVZDMTO-UHFFFAOYSA-N 355.486 2.675 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CCO1 178280416 CKHCUTRYXWCRBG-INIZCTEOSA-N 368.414 2.889 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 178260541 TZHHWZDVUYKEAQ-YXMGTMDOSA-N 352.390 2.607 0 50 FFAA COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](c3ccncn3)C2)n[nH]1 426531735 NCKHBYACVURPOW-CQSZACIVSA-N 363.421 2.895 0 50 FFAA CCN1C[C@]2(CCCN(Cc3cnc(-c4ccccn4)nc3)C2)CCC1=O 82108933 GWVOCSBWJIDXGA-OAQYLSRUSA-N 365.481 2.763 0 50 FFAA CCCOc1ccccc1C(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426372552 ZTHUVDJXNUSWTJ-HNNXBMFYSA-N 371.437 2.776 0 50 FFAA CCn1c(CN2CCC3(CC2)c2nc[nH]c2CCN3C)nc2ccccc21 92107522 CONADCLPPHWQJH-UHFFFAOYSA-N 364.497 2.759 0 50 FFAA CSCC[C@H](O)c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F 96132643 CEYJLNNTWVIYRC-LBPRGKRZSA-N 366.453 2.511 0 50 FFAA CCN(Cc1nc(COC)no1)C(=O)NCC1C2CC3CC(C2)CC1C3 426399427 PFADZVPVZHHPLJ-UHFFFAOYSA-N 362.474 2.820 0 50 FFAA O=C(NCCn1ccc2ccccc21)N1CCC(Oc2ncccn2)CC1 426473349 CJBMVAQXJRTYKF-UHFFFAOYSA-N 365.437 2.684 0 50 FFAA O=C(C[C@@H]1COCCN1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91441082 VJKXUWYXBSNFTH-OAQYLSRUSA-N 364.489 2.974 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OC(F)(F)C(F)F)C2 95355780 MDGFFQHILREEIG-WDEREUQCSA-N 374.334 2.616 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 96137721 JPTLMWIYCANPRA-UHFFFAOYSA-N 372.787 2.756 0 50 FFAA O=C(O)[C@@H](c1cccc2c1OCC2)N1CCN(c2ccc(Cl)cn2)CC1 95501377 ZHUORBAGRUFYHL-QGZVFWFLSA-N 373.840 2.618 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCC1)c1c[nH]nc1C1CCCCC1 97578392 UMNVMVPXJKYGOG-UHFFFAOYSA-N 360.502 2.832 0 50 FFAA CSCC[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 334161405 BHTDCRNCGQVYRH-CQSZACIVSA-N 351.468 2.655 0 50 FFAA CCc1ccnc(C(=O)N2CCN(c3ncnc4sccc34)CC2)c1 180742106 VUUWZSFNWJAVSA-UHFFFAOYSA-N 353.451 2.611 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccc(Cn3cccn3)o1)C2 95370425 BLWLCSAFPJLYKP-CQSZACIVSA-N 367.405 2.514 0 50 FFAA O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1cnc(C2CC2)nc1 97528989 VPQNTVPXJSINHS-QGZVFWFLSA-N 350.466 2.996 0 50 FFAA Cc1csc(CN(C)C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)n1 95498858 BXHJNNCKQBRDQE-MRXNPFEDSA-N 357.479 2.501 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 182417572 AOHXIZDTZSKEEA-OAHLLOKOSA-N 357.498 2.741 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCOC1)c1cccc(Br)c1 299753899 ZSJITYGKWVAYCY-GWCFXTLKSA-N 356.216 2.508 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC(F)(F)F)cc1 299753698 YZKWKGUCBHPUDZ-ZDUSSCGKSA-N 361.316 2.681 0 50 FFAA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2n[nH]c(COC)n2)cc1 534665382 YEVQAKAXNRAAMT-INIZCTEOSA-N 358.442 2.649 0 50 FFAA CCN(CCn1cccn1)C(=O)c1ccc(-c2nccnc2N(C)C)cc1 534574414 KHVWFSSMTPBSNK-UHFFFAOYSA-N 364.453 2.568 0 50 FFAA Nc1n[nH]c2ccc(-c3ccc(C(=O)NCC[C@@H]4CCOC4)cc3)cc12 534665483 WFDLTZZQLOSTDS-CYBMUJFWSA-N 350.422 2.969 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)N1CCN(c2cccnc2)CC1)N(C)C 534635291 CWLQAQPKQHLRQY-QGZVFWFLSA-N 373.526 2.586 0 50 FFAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 534636374 SUSNWSALSUQJDJ-MLGOLLRUSA-N 365.836 2.973 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCCCc3nc4ccccc4[nH]3)C2)n[nH]1 275610469 JGRYQFUNDWAWQW-AWEZNQCLSA-N 367.457 2.511 0 50 FFAA COc1cc(F)c(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)c(F)c1 299788738 XQXOELHOUHCJNA-UHFFFAOYSA-N 366.408 2.884 0 50 FFAA Cc1nc(-c2cccc(C(=O)NCc3snnc3C(C)C)c2)nn1C 299791862 GCKKCGXVGBSOPH-UHFFFAOYSA-N 356.455 2.695 0 50 FFAA Cc1nc(C)c(-c2ccc(C(=O)NCc3ccc(C(=O)N(C)C)o3)cc2)[nH]1 584896075 RJESLVVUCIWQFX-UHFFFAOYSA-N 366.421 2.918 0 50 FFAA CCN1CC[C@@H](NC(=O)N2CCC(COc3ccc(OC)cc3)CC2)C1 584889640 FGFFCOVLMVCIHH-QGZVFWFLSA-N 361.486 2.590 0 50 FFAA Clc1ccccc1-n1cc(NCc2cn(C[C@@H]3CCOC3)nn2)cn1 865518468 QTTROARYADCQIT-ZDUSSCGKSA-N 358.833 2.766 0 50 FFAA C[C@@H](NC(=O)c1coc(-c2cnn(C)c2)n1)c1ccc(C(F)(F)F)nc1 1875295692 OBVDHYXZWBRGMU-SECBINFHSA-N 365.315 2.980 0 50 FFAA C[C@H]1Cc2cccc(S(=O)(=O)NCc3conc3C(C)(C)C)c2O1 1875317444 ZDDNMGKNXMTLOM-NSHDSACASA-N 350.440 2.774 0 50 FFAA C=CC(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1CC(C)(C)C 1875383192 KFNGSDWXBJCYST-IAGOWNOFSA-N 356.466 2.801 0 50 FFAA O=C(NCc1cccnc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 1875342214 DRKCTBQRMYHWJC-OAQYLSRUSA-N 371.440 2.965 0 50 FFAA COCCC(=O)N1CCC(NC(=O)N2C[C@H](C(C)C)c3ccccc32)CC1 278890158 PPSLFLXEOMIFAZ-GOSISDBHSA-N 373.497 2.983 0 50 FFAA Cc1nnc(S)n1CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 170641405 ONJINUSAAMJNIM-UHFFFAOYSA-N 355.467 2.665 0 50 FFAA CCc1cccc(C)c1NC(=O)CN1CCC[C@@H]1c1nc(N(C)C)no1 170619487 IQNVFCBZKZWYFQ-OAHLLOKOSA-N 357.458 2.782 0 50 FFAA COc1ccccc1[C@@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccc1 1323156696 ZFDQRWVAOIDNEY-IBGZPJMESA-N 352.434 2.951 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1F 1529186147 AMNHHDPZJNFVFB-IEBWSBKVSA-N 370.424 2.732 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)CC[C@H]1O 1704358391 KANAMNVPTLRNCE-RBUKOAKNSA-N 353.418 2.503 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 1772706963 IFGLVNGSHYQDNW-JNKARSBBSA-N 370.428 2.530 0 50 FFAA CN1CCCC[C@H]1C(=O)N1CCCN(C/C=C/c2ccc(F)cc2)CC1 1775982605 AVSYPSRCAXVCTN-XXIDSNJLSA-N 359.489 2.858 0 50 FFAA Cc1ncsc1C(=O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 11840044 RGRXIPDLRHSIMR-OAHLLOKOSA-N 357.483 2.620 0 50 FFAA COc1ccc(CNCc2ccc(C)o2)cc1OC[C@H](O)CN1CCCC1 12297947 WAXAMTJYRPBUII-GOSISDBHSA-N 374.481 2.722 0 50 FFAA COCCc1nc2ccc(C(=O)NCCCn3nc(C)cc3C)cc2o1 12575371 LXFDYEXMDGMGBN-UHFFFAOYSA-N 356.426 2.650 0 50 FFAA C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 15543422 CNGJUFDRSIEHPI-NSHDSACASA-N 352.843 2.821 0 50 FFAA CN(C)c1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857679321 UHBVXJIGDNEKRF-JQVVWYNYSA-N 365.477 2.746 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@]23CC[C@H]1O3 1857719703 TTWKLLKVOPVWOY-WBADGQHESA-N 369.553 2.692 0 50 FFAA CC[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CCN1C[C@H](C)O 240454718 FYGZGYCKOQJJHI-YBARQDEESA-N 352.494 2.599 0 50 FFAA COc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 848843 TYBAPDCCMCKUPD-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA C[C@H]1N(C(=O)c2cc3c(nc2O)CCCC3)CCC[C@@]12CCCN(C)C2=O 2100557435 SJOXEGVXNQHHGP-SZNDQCEHSA-N 371.481 2.529 0 50 FFAA CC(C)[C@H](N)N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 1857800122 AWWHMJDUTUSARV-PWSUYJOCSA-N 356.656 2.782 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)OCCO2 4805335 VFJZYSHUAKVFKM-UHFFFAOYSA-N 373.361 2.514 0 50 FFAA O=C(/C=C/c1ccccc1)NCCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 2325704751 JFJKPTMOIRLUGN-SFADGKAVSA-N 368.477 2.670 0 50 FFAA O=C(NCc1nnc2cccnn12)N1CCCCCc2ccccc2C1 2325776053 BMZDVTDESHLOPW-UHFFFAOYSA-N 350.426 2.563 0 50 FFAA O[C@@H]1COc2ccccc2[C@@H]1NCc1cccc(OCCn2ccnc2)c1 2325777707 WWAQISKEJNDSKG-CTNGQTDRSA-N 365.433 2.546 0 50 FFAA COC(=O)[C@@H]1[C@@H]2CC[C@@H]2CN1C(=O)c1ccc(Oc2cccnc2)cc1 2325781912 CCKDQHZRTFRWBA-OLMNPRSZSA-N 352.390 2.898 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C[C@@H]1CC[C@H]1C(F)(F)F 2325814083 RGLGNCXPTICNLK-YHUYYLMFSA-N 362.415 2.853 0 50 FFAA Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCCc4cccnc43)C2)no1 2325839168 KYGWDDCACFORSU-MSOLQXFVSA-N 354.454 2.531 0 50 FFAA COc1ccc(CNC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1 783915 XVIDULMCEAPLSC-UHFFFAOYSA-N 366.461 2.793 0 50 FFAA Cn1nnnc1SCC(=O)N1c2ccccc2CCc2ccccc21 795860 XPBZHWYHJQPPPP-UHFFFAOYSA-N 351.435 2.766 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 1141761 ICSOJTRMPMCHHH-UHFFFAOYSA-N 367.467 2.797 0 50 FFAA COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1Cl 1455662 MXAXJQKRJUSVSB-UHFFFAOYSA-N 358.781 2.973 0 50 FFAA c1cc2c(s1)C1(CCN(Cc3cc4n(n3)CCCNC4)CC1)OCC2 2356145535 PGAHBKZMHJRBGR-UHFFFAOYSA-N 358.511 2.502 0 50 FFAA CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 6493042 RYBVGCGYRVPIHM-UHFFFAOYSA-N 372.450 2.851 0 50 FFAA Cc1cccc(-c2nnc(S)n2CCC(=O)NC[C@@H]2C[C@H]3CC[C@H]2O3)c1 225385942 GTVLJSTXFIAASP-ARFHVFGLSA-N 372.494 2.616 0 50 FFAA O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 9330879 ALLWOAVDORUJLA-INIZCTEOSA-N 370.792 2.607 0 50 FFAA biogenic,world O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCCCC1 28649225 OVJGBGUUUAFGDW-UHFFFAOYSA-N 350.484 2.877 0 50 FFAA CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1 54253992 FDMIJPRPTMPGBX-LJQANCHMSA-N 366.417 2.645 0 50 FFAA COC[C@H]1CCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)C1 20537141 ODSYQMBKRFHNTJ-INIZCTEOSA-N 372.469 2.522 0 50 FFAA Cn1nc(C(=O)N2CCN(c3ccccc3F)CC2)cc1C(F)(F)F 21806893 VXWHLUCHQNMSRF-UHFFFAOYSA-N 356.323 2.540 0 50 FFAA COc1ccc(OCc2nc(C(=O)N3CCC[C@@H](C(C)(C)O)C3)co2)cc1 67755866 QZUTZYGLTFWKPG-CQSZACIVSA-N 374.437 2.885 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3cc(C)ccc3C)ccc12 67640733 RIDDZUZGRMHXQK-UHFFFAOYSA-N 362.389 2.745 0 50 FFAA Cc1ccc(CN2CCN(c3ccc(CS(C)(=O)=O)cn3)CC2)c(C)c1 65375591 CGBWMEFUQDUQFC-UHFFFAOYSA-N 373.522 2.565 0 50 FFAA COC(=O)c1conc1C(C)(C)NC(=O)c1coc2ccc(OC)cc12 425354212 JLTSJQDDLDOXSC-UHFFFAOYSA-N 358.350 2.881 0 50 FFAA CN(CC1CCOCC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 121576017 USHSTMPSKOYTCC-UHFFFAOYSA-N 364.449 2.978 0 50 FFAA COCn1cc(NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)cn1 2802297 GRTHLBDUDAGVRO-UHFFFAOYSA-N 365.743 2.693 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)CC2)no1 328656732 ZPYMFURMJHEZQI-SFHVURJKSA-N 356.470 2.799 0 50 FFAA Cc1ncccc1CN1CCC[C@@H](N(C2CCC2)S(C)(=O)=O)CC1 328628027 GUNIWIMYKXXWKB-GOSISDBHSA-N 351.516 2.559 0 50 FFAA CCn1c([C@H]2OCC[C@H]2C)nn(Cc2csc([C@@H]3CCCO3)n2)c1=O 328629589 IJQLOCJUMMTMFV-XBFCOCLRSA-N 364.471 2.519 0 50 FFAA CON(CC1CCOCC1)[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O 366963061 ONICWIRKOJPONP-VQTJNVASSA-N 358.482 2.955 0 50 FFAA O[C@H]1CN(Cc2ccc(SC3CCCCC3)o2)C[C@@H]1N1CCOCC1 216507480 DGWPLAVIQADKGF-ROUUACIJSA-N 366.527 2.582 0 50 FFAA Cc1ccnn1CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71768060 PGONTDFWQKDVOB-KSEOMHKRSA-N 364.493 2.670 0 50 FFAA CC(C)[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 214511646 LYRGLIQVUMAZJU-RTBURBONSA-N 369.417 2.995 0 50 FFAA COC1(c2ccccc2)CCN(S(=O)(=O)NCc2ccccc2)CC1 72156799 DDKRKFNQMGWSMW-UHFFFAOYSA-N 360.479 2.659 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CC[C@H]21 72424441 DYBWWHIVGABQLM-MAUKXSAKSA-N 354.454 2.734 0 50 FFAA CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72432503 LFYXPCAKMVUKAT-UHFFFAOYSA-N 370.840 2.976 0 50 FFAA O=C(c1cccc(O)c1)N1CCN(CCCc2ccccc2)[C@H](CCO)C1 72478727 AKBKLFYTFIPBKV-HXUWFJFHSA-N 368.477 2.534 0 50 FFAA O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(O)(C(=O)O)CC1 262518786 QFPMJQSWKVHRTO-UHFFFAOYSA-N 357.193 2.526 0 50 FFAA CCCNc1ncc(CN2CCN(C3Cc4ccccc4C3)CC2)cn1 216130155 UHXRRBXNSTWSOF-UHFFFAOYSA-N 351.498 2.584 0 50 FFAA Cc1ccccc1[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCC(C)CC1 215512178 SBYDFRONYHNBIZ-HXUWFJFHSA-N 367.493 2.897 0 50 FFAA CCn1ccc(-c2cc(C(=O)OC)n3nc4nc(C)cc(C)c4c3n2)n1 20615715 YQKLAHUUUZVNRL-UHFFFAOYSA-N 350.382 2.564 0 50 FFAA O=C(CCSCc1ccc(F)cc1)NCc1nnnn1-c1ccccc1 221265231 LMYLDLMMXPHFMV-UHFFFAOYSA-N 371.441 2.741 0 50 FFAA Cc1nc(=O)c2c(C)c(C(=O)N(C)[C@H](C)c3c(C)n[nH]c3C)sc2[nH]1 426690199 ALGJMGJQIRAYEB-SNVBAGLBSA-N 359.455 2.775 0 50 FFAA CCN(Cc1nc(COC)no1)C(=O)c1ccc(N2CCCCC2)cc1 223318616 OQUJBWRUHKQTCL-UHFFFAOYSA-N 358.442 2.869 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2CCn2cccn2)cc1 222858155 GRYYZIXHEGYCIE-LJQANCHMSA-N 368.481 2.783 0 50 FFAA N[C@H]1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)C1 237844840 IMPCRKADTMWIAI-LBPRGKRZSA-N 362.227 2.810 0 50 FFAA CN(C)[C@H](C(=O)NCCc1nc2ccccc2n1C)c1cccc(F)c1 95362263 LHPPROVVJZJOHT-IBGZPJMESA-N 354.429 2.674 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 91876408 PKRZIQPAFDVXKL-UHFFFAOYSA-N 366.469 2.762 0 50 FFAA O[C@H](COc1cccc(CN2CCC2)c1)CN1CCc2ccccc2C1 95525219 WYZFQEUBGAQTOK-NRFANRHFSA-N 352.478 2.690 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(N)=O)C1 239402966 RIVQMHSILJEIBU-OUAUKWLOSA-N 364.467 2.801 0 50 FFAA COCC1(C(=O)NC[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCC1 97819586 HIFZQLGWEAAVIS-GOSISDBHSA-N 374.481 2.968 0 50 FFAA O=C1CCc2cc(F)cc(NC(=O)N3CCC[C@H](c4ccncn4)C3)c2N1 96140615 QHJBEIRFTDWZID-ZDUSSCGKSA-N 369.400 2.912 0 50 FFAA COC(=O)c1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)c1 95382776 CWRNCWAORHXQCM-HNNXBMFYSA-N 373.409 2.966 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95504270 CDAANLRZRYVOQA-ZDUSSCGKSA-N 371.441 2.942 0 50 FFAA C[C@H](NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1=CCCCC1 96151645 QTJAGUXJVWYWJW-JTQLQIEISA-N 357.863 2.998 0 50 FFAA O=C(CCC1CCN(Cc2c[nH]cn2)CC1)N1CCc2ccccc2C1 95527803 VVUIGGRAFNPDIF-UHFFFAOYSA-N 352.482 2.987 0 50 FFAA CCc1cc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)on1 95506354 LLKMGXKMZZWQMO-CQSZACIVSA-N 371.437 2.608 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)CC1 91965706 FJJQIJVGTACHJM-UHFFFAOYSA-N 365.437 2.580 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@H](c1ccco1)N1CCCC1 97773114 DHOAMKIEAUOERN-GOSISDBHSA-N 356.470 2.767 0 50 FFAA CCn1nc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)c2ccccc21 91664141 LYCWGGYNIJPXTN-HNNXBMFYSA-N 368.481 2.854 0 50 FFAA O=C(c1cc(-c2ccccc2O)n[nH]1)N(CCCO)Cc1ccc(F)cc1 97823337 VNVIEVGWSMRKQO-UHFFFAOYSA-N 369.396 2.946 0 50 FFAA COc1ccccc1-n1cc(C(=O)NC[C@H]2OCCc3ccccc32)cn1 91876828 IFMWUIQENVITPW-HXUWFJFHSA-N 363.417 2.925 0 50 FFAA COCc1nc(NCCN2CCCc3ccccc32)cc([C@H]2C[C@@H](N)C2)n1 244840336 ULEKJMSVXHEOSX-CALCHBBNSA-N 367.497 2.692 0 50 FFAA COc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(O)c1 243914960 BLCLKBCRTVIQJE-QEEYODRMSA-N 369.417 2.578 0 50 FFAA C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 295050444 OPOQVQKZMFMIJU-KDOFPFPSSA-N 370.424 2.932 0 50 FFAA COc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)on1 184890290 YTFCISIKZJKREC-RYUDHWBXSA-N 356.300 2.650 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cn2ccnc12 296733646 CIBVAWARJPTXLS-AWEZNQCLSA-N 365.441 2.592 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(CN2CCCC2)o1 299775787 JSYUSDMOXVIKDQ-UHFFFAOYSA-N 356.401 2.863 0 50 FFAA COc1ccc(C2(NCc3ncnn3C(C)(C)C)CCOCC2)cc1F 952845192 IDAAWRIBRKPFRD-UHFFFAOYSA-N 362.449 2.976 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)CC3CCN(OC)CC3)C2)c1 1875267806 FAXIHQMELXWPDT-INIZCTEOSA-N 362.470 2.683 0 50 FFAA CN1CCC[C@H](c2cccc(C(=O)NCc3nc(-c4ccco4)n[nH]3)c2)C1 1875268316 SAPGAJBNTSQYPE-INIZCTEOSA-N 365.437 2.804 0 50 FFAA O=C1CC2(CCC2)[C@H](C(=O)Nc2cccc([C@@H](O)CC(F)(F)F)c2)CN1 1875285872 DOHSTRSCJHVTAN-KBPBESRZSA-N 370.371 2.917 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N(Cc1ccccn1)C[C@H]1CCCO1 952980388 KJMXZNVSKIPXJC-MRXNPFEDSA-N 363.421 2.688 0 50 FFAA COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2N2CC[C@@H](OC)C2)ccc1F 886094054 PJIYWCDVXSVUND-OIISXLGYSA-N 350.434 2.548 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565527462 FMPMKRVYAOAMOU-YADHBBJMSA-N 364.489 2.844 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565512865 ILNVXTDNFGRSOE-NPDDRXJXSA-N 367.493 2.732 0 50 FFAA O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 171077068 YJXDXIKXTBROGP-UHFFFAOYSA-N 367.384 2.588 0 50 FFAA O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CCC(O)CC1 194548236 CUEKQSNKWVMWNF-MBRGGSNBSA-N 371.264 2.766 0 50 FFAA C[C@H](OC(=O)c1cnc2nccnc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 759811793 OVOSNLYXGFTIQB-NEPJUHHUSA-N 368.368 2.587 0 50 FFAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCCN(c2ccnc(C)c2)CC1 1506431308 HVECAGKAIVHKAP-IBGZPJMESA-N 373.428 2.876 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCc1nc(-c2ccccc2)n[nH]1 1506428119 MRXVZMWAIWNCRQ-UHFFFAOYSA-N 372.450 2.576 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(CC(C)(C)C)CC2)OCC(=O)N1C 1529189299 KVCSYNLQEPUZPE-MSOLQXFVSA-N 358.482 2.978 0 50 FFAA Cc1cccc(-c2ncc(CN3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cn2)c1 1529101866 PSTXBVNISMTAET-UYAOXDASSA-N 363.465 2.519 0 50 FFAA CN[C@@H](CC(C)C)C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 1704336086 GCHKSWCXAKIRMF-IBGZPJMESA-N 360.498 2.720 0 50 FFAA Cc1nc(N2CCCC2)nc(NCCn2ncc3ccccc3c2=O)c1C 1704347440 LGDNZCPLJQDDDN-UHFFFAOYSA-N 364.453 2.516 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C#N)cc3)C[C@@H]2C(=O)O)c1 219611147 WRRUUJHTDIQCKW-MSOLQXFVSA-N 350.374 2.507 0 50 FFAA COCC1(N(C)C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772806795 FJWVZVVXWRZPBZ-AWEZNQCLSA-N 357.479 2.947 0 50 FFAA O=C1N(Cc2ccccc2F)CCC[C@@]12CCN(CCCn1cccn1)C2 11772271 SLMYPDWQXGSTEA-NRFANRHFSA-N 370.472 2.927 0 50 FFAA Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1 12003684 QQFJAYXREQVFTF-CYBMUJFWSA-N 358.419 2.560 0 50 FFAA CCN(C(=O)c1cccc(N2C(=O)[C@@H](C)CS2(=O)=O)c1)c1ccccc1 12003795 KUKYYZGHFFREJP-AWEZNQCLSA-N 372.446 2.666 0 50 FFAA O=C(CC1CCCC1)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12385277 HLBLBUKYUXNTCJ-SFHVURJKSA-N 372.513 2.759 0 50 FFAA CC(C)n1cc(C(=O)NCC2CCCCC2)c(=O)c(C(=O)N2CCCC2)c1 15068808 YDOQLEWFLNITAS-UHFFFAOYSA-N 373.497 2.975 0 50 FFAA O=S(=O)(NCCCN1CCOCC1)c1ccc(C2CCCCC2)cc1 19333101 ZNGKAOBVCSFTRC-UHFFFAOYSA-N 366.527 2.735 0 50 FFAA COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCOCC2)cc1 19831883 NYJOGTIWKPCNNZ-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA CC(C)(C)c1ccc(OCCn2c(=N)n(CC(N)=O)c3ccccc32)cc1 19973654 OCOPGBIWLJRFOJ-UHFFFAOYSA-N 366.465 2.784 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)c1c3c(nc4onc(C)c14)CCC3)CCC2 1857677330 WOJJTOXOBDXLQC-CQSZACIVSA-N 365.437 2.869 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3C[C@@H](C(=O)O)C4(CCOCC4)C3)c2)n1 1857687553 YKJFONRXBNNCAU-IBGZPJMESA-N 369.465 2.802 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3ccsc3)C[C@]23CC[C@H]1O3)c1cccnc1 1857717825 AEHYYMYLCHIZHX-JRBPQWBISA-N 369.490 2.553 0 50 FFAA C[C@H](C(=O)NC1CCCC1)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857708522 YBJCDPWHJCKVJQ-MRXNPFEDSA-N 366.509 2.935 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)c4occc4C)[C@H]4CC[C@]3(C2)O4)o1 1857717136 MRNHEXVFDSKIJP-XKGFGPFHSA-N 370.449 2.899 0 50 FFAA COc1cc(F)c(CN2C(=O)[C@@]3(CCNC3)c3ccccc32)cc1OC 1875241345 VCTKNHRQXZBWOO-HXUWFJFHSA-N 356.397 2.621 0 50 FFAA CSCCCN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875251496 OYGSWGNPUQWODH-IEBWSBKVSA-N 351.512 2.900 0 50 FFAA O=C1CC[C@@H]2CN(Cc3cc4ccccc4[nH]3)CC[C@@H]2N1CCCCO 216994928 ROWWQELCWJZKLB-XLIONFOSSA-N 355.482 2.753 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccc(C)cc1 236718454 KYGPMXZNLGZWOR-SJLPKXTDSA-N 360.454 2.666 0 50 FFAA C[C@H]1CN(CCC(=O)NCC2CCOCC2)Cc2cc(Cl)ccc2O1 12028208 NFYKVGOTSZFEID-AWEZNQCLSA-N 366.889 2.856 0 50 FFAA COc1cc(-c2noc([C@@H]3CCCO[C@H]3c3ccnn3C)n2)cnc1C 351159041 GZXXOXGYWZFSJF-CZUORRHYSA-N 355.398 2.817 0 50 FFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc2c1OCO2 154521913 OUJPVMDEIRBQHY-CQSZACIVSA-N 358.781 2.604 0 50 FFAA CCCOc1cccc(CCNC(=O)N2CC[C@@H](c3nccn3C)C2)c1 366736860 BAAUCDBFFSSVCK-QGZVFWFLSA-N 356.470 2.951 0 50 FFAA Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 266070447 XSGWFLFUHHEPSU-IBGZPJMESA-N 351.450 2.901 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@@H]1C[C@@H]1c1ccc3c(c1)OCCO3)C2 266287125 BETGMSQATJGBSY-WNRNVDISSA-N 356.466 2.693 0 50 FFAA Cc1ccc(C2=NO[C@H](CNC(=O)N3CC[C@@H](N4CCCC4)C3)C2)cc1C 802379167 IAASLZMPESGOEU-MOPGFXCFSA-N 370.497 2.676 0 50 FFAA CC[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)O)c2cccc(C(F)(F)F)c2)CCN1C 910379856 LDGIGAURATVEQB-BFHYXJOUSA-N 358.360 2.678 0 50 FFAA CCC[C@@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)O 836756409 HCOCWWAPESDKBG-JKSUJKDBSA-N 360.454 2.664 0 50 FFAA COc1cccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1OC 1427988 WWIGTMXHUSQRCI-CQSZACIVSA-N 365.385 2.997 0 50 FFAA CN(C(=O)c1cc(-c2ccccc2O)[nH]n1)[C@@H]1CCN(c2ccncc2)C1 2325783995 RQJQDHAYKXUTSW-OAHLLOKOSA-N 363.421 2.528 0 50 FFAA CCc1cc(=O)c2cc(NC(=O)[C@H]3CC(C4CCOCC4)=NO3)ccc2[nH]1 2325784975 XECDLBBGIFNJOX-LJQANCHMSA-N 369.421 2.601 0 50 FFAA NCc1ccccc1C1CCN(C(=O)c2ccc3c(O)ncnc3c2)CC1 2325789198 DIPQPDNBGRPMSA-UHFFFAOYSA-N 362.433 2.814 0 50 FFAA CCn1c(CN2C(=O)c3cccc(C)c3S2(=O)=O)nc2ccccc21 2325868092 OONUFYLKVHBCSD-UHFFFAOYSA-N 355.419 2.709 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 2325888793 ZXALQMCLHPQGHT-JKSUJKDBSA-N 358.486 2.664 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1456937 RCMZOMBKYRLDEW-HNNXBMFYSA-N 356.422 2.524 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 2356159899 UWUKBBZGMTUGHI-SFHVURJKSA-N 359.380 2.679 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(c2nnc(-c3ccccc3)s2)C1 2356162106 XSEHNSJOTOYJPB-LJQANCHMSA-N 364.478 2.892 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1Cl 4778318 KHVDFVTURMWCPZ-NSHDSACASA-N 368.842 2.654 0 50 FFAA Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1N 1424849 NGZXDMOGXKVBOL-UHFFFAOYSA-N 365.768 2.703 0 50 FFAA CCCCC[C@@H](O)CC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 43772110 WLQWTLGHSFPOQC-DBDQLMEASA-N 372.502 2.670 0 50 FFAA in-vitro Cn1cc([C@H]2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)C2)cn1 116322427 MLNAQZJYAGAEHL-SFHVURJKSA-N 364.449 2.933 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CN(C)CCN2C 67840674 DYYOJWHKOUUBBM-GOSISDBHSA-N 373.541 2.817 0 50 FFAA CCS(=O)(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67974933 OOQYKSSXDAJZAN-UHFFFAOYSA-N 360.414 2.717 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCCC[C@H]1CCn1cccn1 20785480 TYTQIPPEUYXBMB-SFHVURJKSA-N 353.470 2.963 0 50 FFAA Cc1cnn([C@@H](C)CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)c1 67713983 IJGMVRQMHTZUJF-ZDUSSCGKSA-N 357.389 2.624 0 50 FFAA CC(C)(C)C(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1 67842533 NJIYUXDVUSYZPX-UHFFFAOYSA-N 359.401 2.700 0 50 FFAA CCn1ncc(C(=O)NC[C@H](C)Cn2nc(C)cc2C(F)(F)F)c1C 65406958 CPEMMOMXLCOVFF-JTQLQIEISA-N 357.380 2.801 0 50 FFAA COc1cccc([C@H]2CCCCN2S(=O)(=O)N2CCC(OC)CC2)c1 72131936 VWEHQBPRJDNOJI-GOSISDBHSA-N 368.499 2.578 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cc(C)n(C)n3)cn2)cc1 2808278 SMFSCRXHYXCVPL-UHFFFAOYSA-N 365.466 2.818 0 50 FFAA CCN(Cc1ccc(OCc2ccccc2)cc1OC)[C@H]1COC[C@@H]1O 215224835 UMLNUCUNJRSNLT-PMACEKPBSA-N 357.450 2.856 0 50 FFAA CCn1nc(C)c(S(=O)(=O)Nc2ncc(Br)cc2C)c1C 331111923 LOPLROYQIBFRGS-UHFFFAOYSA-N 373.276 2.787 0 50 FFAA COc1ccc(N[C@H]2CCCN(C(=O)CCn3c(C)cccc3=O)C2)cc1 72142072 IFIVVCISTLGKCK-SFHVURJKSA-N 369.465 2.659 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2cc(C)sc2C)cn1 328632799 SFDAQQUTUNURJN-GOEBONIOSA-N 369.512 2.780 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N(C)Cc2nccs2)n1C 328628536 NUWSGMXOBRBCPJ-HNNXBMFYSA-N 360.483 2.827 0 50 FFAA COc1cccc(C[C@@H]2CN(Cc3cc4c(cc3OC)OCO4)CCO2)c1 71752594 YCTYNRZRTDJTHN-GOSISDBHSA-N 371.433 2.876 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cn4cccn4)C3)C2)c1 11662165 KBXPMXVEWQZVDR-OAQYLSRUSA-N 352.482 2.706 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 77504097 XVZHFFHECLGLNW-HNNXBMFYSA-N 368.474 2.690 0 50 FFAA O=C(CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1cccs1 126556264 XGGXXMPKUWTQQV-OAHLLOKOSA-N 356.447 2.599 0 50 FFAA Cc1oc(-c2ccccc2)nc1CN1CCN([C@@H]2CCCN(C)C2)CC1 369352269 CTFIFCJFNJKHPM-LJQANCHMSA-N 354.498 2.862 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N(C[C@H](C)C(=O)O)C3CC3)c2)n1 237473376 UTKUZYXQXHNGJG-ZDUSSCGKSA-N 355.438 2.874 0 50 FFAA O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@H](CN2CCCCC2)C1 174533733 WYYLBQNZRYRNRU-MRXNPFEDSA-N 370.449 2.506 0 50 FFAA O=C(C1CCC1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc3c(c2)OCO3)C1 15070161 DFPVUAMWYFLQMM-SJORKVTESA-N 370.449 2.555 0 50 FFAA O=C(CC1CCN(C(=O)Nc2cc(Cl)ccn2)CC1)N1CCCC1 286722003 JOOANSDEYYYEAG-UHFFFAOYSA-N 350.850 2.991 0 50 FFAA COc1cccc([C@@H]2CN(CCCc3cccnc3)C[C@H]2C(=O)O)c1OC 91441298 IUYOUVBDYLEALR-ZWKOTPCHSA-N 370.449 2.832 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N(Cc1ccccc1)C[C@H]1CCCO1 95518804 QCPFLWVLXSGJGO-LJQANCHMSA-N 370.493 2.987 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239235325 VTOXSNWBJMKDDN-UOVPBQLFSA-N 351.406 2.701 0 50 FFAA NC(=O)c1noc(CN2CCCC(c3ccccc3)(c3ccccc3)C2)n1 95502945 WPTAFPIQVHBGMG-UHFFFAOYSA-N 362.433 2.751 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2c(C)c(Cl)c(C)[nH]c2=O)s1 97532190 FEPJWEOUGGQNFF-UHFFFAOYSA-N 354.859 2.650 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 92080500 QHGLGQOXVOCDJS-VQTJNVASSA-N 366.509 2.954 0 50 FFAA Cc1oc(CN(C)C(=O)c2cccc(CN3CCCC3=O)c2)cc1C(=O)O 299750950 OWGFIFHNQOYJAF-UHFFFAOYSA-N 370.405 2.681 0 50 FFAA COCCOC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)CC1 299771539 SZRFVFSUDUDAMI-HBMCJLEFSA-N 372.509 2.866 0 50 FFAA Cc1ccc2c(c1Br)C(=O)C(=O)N2CN1CCC(C)CC1 55231457 DCQXXNGNRUCKRP-UHFFFAOYSA-N 351.244 2.976 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)NC2CCN(CCSC)CC2)c1 299757280 JZSKKGDPDOFRKS-UHFFFAOYSA-N 365.499 2.731 0 50 FFAA C[C@@H](CCC(=O)N1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCC1 299793521 GTCSJILWWQQRGH-INIZCTEOSA-N 365.468 2.874 0 50 FFAA OC[C@]1(O)CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 299775092 JSVKMXBBFQGNSC-HNNXBMFYSA-N 358.385 2.758 0 50 FFAA CC(C)c1nnsc1C(=O)NC1CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1 947756610 PBKLNEJBARBNKB-KZULUSFZSA-N 362.499 2.573 0 50 FFAA Cc1csc(S(=O)(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)c1 670447832 FDGUIZGGCWKJCV-JTQLQIEISA-N 350.425 2.541 0 50 FFAA N[C@@H]1C[C@H]1NC(=O)NCc1cnc(-c2ccc(C(F)(F)F)cc2)s1 1875266156 XGTNKGOLKUBVCQ-VXGBXAGGSA-N 356.373 2.728 0 50 FFAA CCn1cc(-c2csc(=NCc3c(Br)cnn3C)[nH]2)cn1 1875280454 KPSPMFQGTSRCLB-UHFFFAOYSA-N 367.276 2.557 0 50 FFAA Cn1ncc(C(=O)Nc2ccc([C@H]3CNC(=O)C3)cc2)c1Cc1ccccc1 1875358399 VBEWUJQGZXGOGI-QGZVFWFLSA-N 374.444 2.867 0 50 FFAA O=C(O)[C@H](CCO)NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 1875313377 LVHRRLIYOJFEPD-ZDUSSCGKSA-N 360.237 2.757 0 50 FFAA COc1ccc2cccnc2c1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875396991 ZZNINKFKXPEHOC-NWDGAFQWSA-N 366.421 2.919 0 50 FFAA NC(=O)CCN(CCc1ccccc1)C(=O)c1cc(F)c(F)cc1F 952989577 RZBATCJJINMHOW-UHFFFAOYSA-N 350.340 2.664 0 50 FFAA O=C(c1cc2ncccn2n1)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 952984017 SOTMWNGLSQAMRY-CQSZACIVSA-N 360.421 2.701 0 50 FFAA COc1ccc(NC2(C(=O)NCCN3CCCCC3=O)CCCCC2)cc1 952990974 KQNBPEFHIQFYLZ-UHFFFAOYSA-N 373.497 2.939 0 50 FFAA O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCO[C@H](C(F)F)C1 194208464 LGZRKXXYYSHKQP-HNNXBMFYSA-N 373.421 2.509 0 50 FFAA CCc1ccccc1S(=O)(=O)NC(=O)C[C@@H]1OCCc2ccccc21 786656109 ZTWPBHLVPOJOOR-KRWDZBQOSA-N 359.447 2.758 0 50 FFAA O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccc(F)cc21 796626158 PHGYRWOFGICVAR-CQSZACIVSA-N 373.327 2.989 0 50 FFAA CCc1nc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n[nH]1 1506398287 OJGARUGVBXUESR-QGZVFWFLSA-N 373.476 2.765 0 50 FFAA CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506419967 OHHDXLGGOUBSLK-KRWDZBQOSA-N 366.527 2.890 0 50 FFAA O=C(c1ccncc1)N1CCC(NCCc2noc(C3CCCC3)n2)CC1 1506397447 UMMXHGQMGJORAH-UHFFFAOYSA-N 369.469 2.559 0 50 FFAA CCc1cc(C(=O)N2C[C@H](c3ccccc3OC)[C@@H](C(=O)O)C2)ccn1 212749444 RTOJNXGQEBSPRN-SJORKVTESA-N 354.406 2.593 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 11879113 VXNIUBZETKAOCL-AWEZNQCLSA-N 350.409 2.758 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)C(=O)CC(C)C)CC1 12093056 GQXAHBKCJGOFNA-UHFFFAOYSA-N 362.474 2.646 0 50 FFAA CO[C@@H]1O[C@H](COC(=O)c2ccccc2)C[C@@H]1OC(=O)c1ccccc1 16953064 APDHEXOZIKRKSN-ABSDTBQOSA-N 356.374 2.830 0 50 FFAA O=C(CN1CCc2ccccc2C1)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 223533841 VABWVJZWDMYJAR-ONTIZHBOSA-N 350.462 2.673 0 50 FFAA CN=S1(=O)CCC2(CC1)CN(C(=O)c1ccc(Cl)c(C)c1)CCO2 1857530416 LDEZAUFWXOWZTF-UHFFFAOYSA-N 370.902 2.751 0 50 FFAA COc1nccnc1N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857668643 KIEGQOMVFXRWJN-DLBZAZTESA-N 355.438 2.737 0 50 FFAA COCCNCCOc1ccc(C)cc1-c1ccc2c(c1)CN(C)C2=O 1857715417 QPYOMQDTOVUMKS-UHFFFAOYSA-N 354.450 2.862 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CC[C@@H](CO)C1 1857720210 JRCWEYPLEFOETC-GFCCVEGCSA-N 363.845 2.538 0 50 FFAA O=C(c1ccc(OC(F)F)cn1)N1CC[C@@H](c2ccccc2)S1(=O)=O 814091268 QEAMKQFONLGULR-AWEZNQCLSA-N 368.361 2.600 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1875240020 DYOOXLCFUHYMJX-SJORKVTESA-N 370.449 2.570 0 50 FFAA CC(C)CS(=O)(=O)CC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 330989714 RXSXDOYPCDMJIW-UHFFFAOYSA-N 373.465 2.817 0 50 FFAA CC(C)[C@@H](C)NC(=O)Cn1c(=O)oc2cc(Br)c(F)cc21 331157337 WBDLEJLVSVGYNY-MRVPVSSYSA-N 359.195 2.657 0 50 FFAA CCOc1nc(C)ccc1C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 252494052 NJTKTOIRUIYNRF-UHFFFAOYSA-N 365.437 2.916 0 50 FFAA CCOCc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1C(C)=O 377515561 OOSQQRYBOSQPLH-FQEVSTJZSA-N 352.434 2.817 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 912439730 CJVYLCFIDXYLJV-AWEZNQCLSA-N 352.442 2.737 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(CO)CC1 121799811 SEXYZMIOMQRCEB-IAGOWNOFSA-N 359.514 2.557 0 50 FFAA Cc1cccn2c(CC(=O)NC[C@@H](N)c3cc(F)cc(Cl)c3)cnc12 2325858423 MHHFTHFCUGNQIJ-MRXNPFEDSA-N 360.820 2.794 0 50 FFAA C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Nc1cc(Cl)cc(C(N)=O)c1 2325860275 BDMHRVLOUIDJAG-ZBEGNZNMSA-N 361.829 2.725 0 50 FFAA COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1 887165 LMPFHDVZLTVZAW-UHFFFAOYSA-N 364.401 2.764 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cc3ccccc3n2C)CC[C@H]1O 2356148132 IUNHWGFHNWQDGH-WIYYLYMNSA-N 372.465 2.892 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)CCCOc2ccccc2)C1 2356159652 LIWWVDWEZHBZGG-OAQYLSRUSA-N 366.465 2.555 0 50 FFAA Cc1ccc(N2C(=S)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4140707 RFNSVBYCXKCXKV-IAGOWNOFSA-N 358.488 2.772 0 50 FFAA O=C(NCCNCc1c[nH]nc1-c1ccc(F)cc1)c1ccc(F)cc1 55393578 VMGAGPKUNQMVDW-UHFFFAOYSA-N 356.376 2.875 0 50 FFAA COC[C@H](NC(=O)CCC(=O)Nc1cc(C)ccc1F)c1ccccn1 55271132 RUHXEIYQTPWKEZ-KRWDZBQOSA-N 359.401 2.752 0 50 FFAA CCNc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)n1 67612562 IRIXQHVERKZDAE-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)Cc1nc(-c2ccncc2)no1 55392997 PAAALHCQSZDWQA-KRWDZBQOSA-N 368.393 2.706 0 50 FFAA Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(NCc3ccco3)c12 20855667 ZANNZWGONGEZLV-UHFFFAOYSA-N 371.466 2.592 0 50 FFAA O=c1[nH]c2ccccc2cc1CN1CCc2c(O)nc(CC3CC3)nc2C1 67847674 VIAIJTUFNOYNLO-UHFFFAOYSA-N 362.433 2.535 0 50 FFAA Cc1nnsc1CN(C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 67934577 CEGVXSIQDKKTQY-UHFFFAOYSA-N 366.450 2.845 0 50 FFAA CC[C@H]1CN(Cc2cccc(OC)c2OCCn2ccnc2)CC[C@@]1(C)O 67603811 FUFKXPGQGVTYPB-GHTZIAJQSA-N 373.497 2.954 0 50 FFAA O=C1C[C@H](c2ccc3c(c2)OCCO3)c2cnn(Cc3ccncc3)c2N1 65384894 DTFWMBHRYOHVTM-OAHLLOKOSA-N 362.389 2.572 0 50 FFAA CCn1c(CC2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)nn(C)c1=O 67967702 LQZBNYMDMINWQE-INIZCTEOSA-N 370.497 2.577 0 50 FFAA COCc1cc(=O)[nH]c(-c2cccc(CN(C)CCC[C@H]3CCCO3)c2)n1 23581611 MDIZBQXUXVGBAR-IBGZPJMESA-N 371.481 2.974 0 50 FFAA O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2nccs2)CC1 140652885 PLCKMSYRUZZUDP-SFHVURJKSA-N 369.490 2.858 0 50 FFAA COCCCn1cnnc1SCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229599943 MGIHKLXZQMRQBF-QWQRMKEZSA-N 366.531 2.738 0 50 FFAA CC(=O)N[C@H](C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1)C(C)C 229764355 LHDJIYBXPDNNKK-LZJOCLMNSA-N 373.541 2.941 0 50 FFAA OCCOCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67774148 IKUCONOXABEEGW-UHFFFAOYSA-N 363.841 2.916 0 50 FFAA Cc1nnc(SCc2cc(-c3ccccc3)no2)n1CC(=O)N(C)C 144525904 DRCITNFWLAQNLH-UHFFFAOYSA-N 357.439 2.622 0 50 FFAA COC(=O)[C@@H]1CCCN1C(=O)CCCOc1cccc(Br)c1 328591498 MNQNDRWGRHJCCW-AWEZNQCLSA-N 370.243 2.772 0 50 FFAA O=C(CCc1nnc(-c2ccsc2)o1)NCCc1cn2ccsc2n1 11818930 VLULYDWVMZCAPW-UHFFFAOYSA-N 373.463 2.799 0 50 FFAA CN(Cc1noc2c1CCCC2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328623270 BVGKLNIJXHZHBP-MGPUTAFESA-N 357.502 2.802 0 50 FFAA Cc1cccc(Cn2nc(C)c(NS(=O)(=O)c3cnn(C)c3C)c2C)c1 2792598 GQFCGANCEAXIOR-UHFFFAOYSA-N 373.482 2.699 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1nc2ccc(F)cc2[nH]1 216534762 JHXFWYRUNCHGTB-HNNXBMFYSA-N 370.432 2.715 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)c1 328626688 FITNPMNURXFDCT-SFHVURJKSA-N 364.511 2.804 0 50 FFAA CN(Cc1ccccc1OCCN1CCOCC1)C1CCSCC1 215209980 JGWXMDBVAUBFBB-UHFFFAOYSA-N 350.528 2.725 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)N1CC[C@@](O)(c2ccccc2)C1 77423619 WAAVRVCPPDVJMQ-NRFANRHFSA-N 363.417 2.789 0 50 FFAA c1ccc(-n2ncnc2[C@@H]2COCCN2c2nc(C3CC3)ns2)cc1 329211531 HCUQOIJWFOKDIC-AWEZNQCLSA-N 354.439 2.574 0 50 FFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)C2CCOCC2)C1 12718980 HMUIVSNMWYAOMR-SFHVURJKSA-N 374.525 2.835 0 50 FFAA O=C(CN1C[C@@H](CO)Cc2ccccc21)Nc1ccnn1C1CCCC1 366446504 SVRHQHKVIITYJN-HNNXBMFYSA-N 354.454 2.608 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](c2ccccc2C)C(C)C)C1 72441939 XOXQCJPPUIFYGJ-FUHWJXTLSA-N 366.527 2.870 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1)N1CC2(CCC2)[C@H]1C1CCOCC1 333333747 DCUMLGULJZTEHY-IEBWSBKVSA-N 356.466 2.981 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)s1 39388412 GWSQOJLOHIMNHA-LJQANCHMSA-N 365.587 2.798 0 50 FFAA COc1c(F)ccc(F)c1C(=O)N[C@@H](C)c1nc(C)c(C(=O)O)s1 262747029 IYOOXANETPPZMA-ZETCQYMHSA-N 356.350 2.928 0 50 FFAA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 367367075 GVKBOABDKXWACE-LPHOPBHVSA-N 362.429 2.841 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1c1ccc(C)cc1 77541647 HULXVVCQZRDHTL-GHTZIAJQSA-N 374.444 2.683 0 50 FFAA Cc1nc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc2nncn12 334061486 YSJXCBQCZCZYFC-LBPRGKRZSA-N 355.364 2.618 0 50 FFAA C[C@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@H](C)O1 237623098 KPEGKQMEQPOXLY-IRXDYDNUSA-N 367.493 2.685 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccccc3C(=O)O)CC2)n1 77418987 FOJQZRBJJKTQTC-UHFFFAOYSA-N 371.437 2.781 0 50 FFAA COc1cc2c(cc1CN1CCCN(c3ccnc(C)c3)CC1)OCO2 72154329 AQUCECRKNNQHLQ-UHFFFAOYSA-N 355.438 2.840 0 50 FFAA O=C(CN1CCC[C@@H](O)C1)N1CCc2sccc2[C@H]1c1cccs1 245237849 ZJGPNOCBMGJXEQ-ACJLOTCBSA-N 362.520 2.740 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)C[C@@H](C)O1 72463671 CZEPFPLXGNDQJH-OKILXGFUSA-N 366.889 2.688 0 50 FFAA COc1ccnc(CN2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1OC 71498750 PFPDDDBGVNZWLM-QGZVFWFLSA-N 361.486 2.568 0 50 FFAA CCOc1ncccc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72121882 ORRRTHDRZNAEBQ-UHFFFAOYSA-N 365.433 2.631 0 50 FFAA CC(C)N1CCC(C(=O)N2CCCN(Cc3ccccc3F)CC2)CC1 73229399 SUPXVAVRHCUHMF-UHFFFAOYSA-N 361.505 2.980 0 50 FFAA Cc1ccc(Cl)c(OCc2nnc(SCC(=O)NC3CC3)n2C)c1 17075376 HBKHDBPJXRUHFU-UHFFFAOYSA-N 366.874 2.727 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)n1 82091407 XTIFFRRQLKFFIA-UHFFFAOYSA-N 374.368 2.730 0 50 FFAA COc1ccccc1C[C@@H](C)N(C)C(=O)NCCc1nncn1C(C)C 426477988 JMYYWAWQBHKAEG-OAHLLOKOSA-N 359.474 2.683 0 50 FFAA O=C(CCc1cn2ccccc2n1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 220035011 GWDSBYBAXZABSP-CZGNIMDHSA-N 353.466 2.977 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)NC[C@@H]3COc4ccccc4C3)nn2c1 91270273 QCNKBRNIGUKWLZ-GFCCVEGCSA-N 356.813 2.672 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1ccc(C)o1 96148216 RBRSDSUJJYJQQO-UHFFFAOYSA-N 357.410 2.853 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)c1 239433155 XHKGLSKZVRERJG-LXSMPZMBSA-N 364.445 2.684 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2cnccn2)cc1 426518292 IPLSQQYKQDSRAV-HNNXBMFYSA-N 364.449 2.665 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)CCO)csc3C2)nc1 426535901 PBOMTGBLPCUDHJ-CQSZACIVSA-N 373.522 2.765 0 50 FFAA COc1cccc(O[C@@H](C)c2nc(CC(N)=O)nn2-c2ccccc2C)c1 96151299 VBDIFRFSPRQBEQ-AWEZNQCLSA-N 366.421 2.752 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCc1ccc2c(c1)n(C)c(=O)n2C 91769288 XNJVRTXKMRFYNQ-UHFFFAOYSA-N 358.467 2.695 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1nncn1C1CCCCC1)C2 91706529 RFSUVPXAGNFXSH-OAHLLOKOSA-N 370.453 2.659 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccc(Br)cc1 239025502 BSDIXANXEJIXCW-YZXKGSGOSA-N 373.250 2.872 0 50 FFAA CCCn1cc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)nn1 95523994 DJVKWISOGSWPTE-SNVBAGLBSA-N 373.383 2.670 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)N2CCCCC2)C3)c1 96147912 PAECHIZQTDGOCG-OAHLLOKOSA-N 368.481 2.844 0 50 FFAA CCN1CC2(CCN(Cc3nnc(C)o3)CC2)C[C@@H](c2ccccc2)C1=O 91858447 YEALGZVPOMYCON-SFHVURJKSA-N 368.481 2.996 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(Oc3ccc(F)cc3)CC2)cn1 95380863 COZPIURDLWXQSX-SFHVURJKSA-N 360.385 2.898 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCN1CCCC1 95392114 DNFOSPLEOBQVGO-SFHVURJKSA-N 362.518 2.709 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)c(O)c1 91444990 ODTMWCCVDOMLPU-NVXWUHKLSA-N 367.449 2.532 0 50 FFAA C[C@@H](CO)NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 182173730 MSRODRIMGSJQDY-NSHDSACASA-N 360.285 2.638 0 50 FFAA Cc1c([C@@H](NCC(=O)N2CCC(C(N)=O)CC2)C(C)C)oc2ccccc12 183272166 LGTPEKWNJSIQKW-IBGZPJMESA-N 371.481 2.752 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCN(Cc2ccco2)CC1 252499772 SEBCXFKCFVYHOE-UHFFFAOYSA-N 354.859 2.748 0 50 FFAA O=C(c1cccc(-c2ccc(NCCO)nn2)c1)N1C[C@H]2CC=CC[C@H]2C1 534664264 GGJAXHQQBSSFIH-HDICACEKSA-N 364.449 2.586 0 50 FFAA CCOc1cc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1OC 265184384 XEULZHMINFMIPK-QGZVFWFLSA-N 361.486 2.864 0 50 FFAA Cn1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CCn3cccn3)cn2)cn1 67643213 UZVZRZQOBNVHKP-GOSISDBHSA-N 364.453 2.764 0 50 FFAA c1ccc(N2CC[C@H](Cn3ccnc3-c3cc4n(n3)CCCNC4)C2)cc1 72419355 YKPBHFMYRIHQFG-KRWDZBQOSA-N 362.481 2.766 0 50 FFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1ncc(F)cc1F 1940194806 STFCXSYGOSDFFV-ACJLOTCBSA-N 369.371 2.896 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc3cccc(C)c3nc1C)CC2 299792902 HIKUWRPTABTAER-DJPFJPOOSA-N 354.450 2.996 0 50 FFAA Cc1[nH]c2c(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)cccc2c1C 952888290 GNOFNYZVAYHNLE-GDBMZVCRSA-N 353.426 2.548 0 50 FFAA Cc1c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)oc2c(F)cccc12 952888838 OMPOWQHNWKCTDD-TZMCWYRMSA-N 358.373 2.643 0 50 FFAA COc1ccc([C@H]2[C@H](COC(=O)c3ccn4ncnc4c3)CCN2C)cc1 1875277757 CQCOSSFDVYFURO-LPHOPBHVSA-N 366.421 2.588 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 1875365865 JNPLKHLBOHCZOI-SFHVURJKSA-N 370.493 2.901 0 50 FFAA O=C(NC1CC(Nc2cc(O)ncn2)C1)[C@H]1CCc2c(Cl)cccc21 1875407385 YNYCVNFYCGHGIO-MGULZYLOSA-N 358.829 2.625 0 50 FFAA Cc1oc2ccccc2c1CNC[C@@H]1OCCN(C)[C@H]1c1ccnn1C 886096574 MDHKPBRPVZTTOI-PMACEKPBSA-N 354.454 2.636 0 50 FFAA Cn1cc([C@@H]2OCCC[C@H]2CNCc2cc3ccccc3nc2O)cn1 886079961 NWHJQUIYWAENBT-HNAYVOBHSA-N 352.438 2.931 0 50 FFAA CCc1cc2c(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)cc(=O)oc2cc1O 408512869 BDUTXTKXNRRFAI-SUMWQHHRSA-N 371.355 2.949 0 50 FFAA C[C@H](NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 169300285 QRYVAOVRYCYIPY-XJKVJRSZSA-N 357.450 2.738 0 50 FFAA Cn1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)c1Cc1ccccc1 770677913 NHMRRSKZSPUJMB-OAQYLSRUSA-N 367.424 2.788 0 50 FFAA CC(C)Sc1nnc(NC(=O)CCNC(=O)c2ccc(F)cc2)s1 1506419904 LQYGOIWAYNQRQN-UHFFFAOYSA-N 368.459 2.936 0 50 FFAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC([C@H](O)c2cccs2)CC1 1506395238 FAJAFNARQUQZCN-INIZCTEOSA-N 369.450 2.514 0 50 FFAA CCc1cc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cs1 216667015 PIFRWFGTAAAZOA-CABCVRRESA-N 373.430 2.980 0 50 FFAA CCC1(CC)CCN(C(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 1529126987 WARSGRVVJDBRGN-MOPGFXCFSA-N 371.481 2.551 0 50 FFAA COc1cc(-c2onc(N3CCC(C)(CO)CC3)c2C(=O)O)ccc1F 1704329571 WUHUAKQYABJIHO-UHFFFAOYSA-N 364.373 2.786 0 50 FFAA O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 11843306 UDKDYDSQVLHOSW-HNNXBMFYSA-N 362.857 2.774 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2=O)c1 12227997 QIDOMMXCFAVQLP-FQEVSTJZSA-N 360.429 2.585 0 50 FFAA O=C(c1cccs1)[C@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 12472351 ICFHYULPHTYFTG-LBPRGKRZSA-N 355.423 2.683 0 50 FFAA CCN1CCC[C@H]1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 15073997 KRECZTIULKHKNG-INIZCTEOSA-N 371.437 2.670 0 50 FFAA COc1cccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 19211553 HFRRMDLZKZAUAQ-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@@H](C)CC4)cc1 169760104 WAZGRSRDWTWWPW-AWEZNQCLSA-N 350.422 2.568 0 50 FFAA COc1ccccc1CNC(=O)c1cc2c(N3CCCC3)nc(C)cn2n1 169768701 XERGJQLYTMFCAP-UHFFFAOYSA-N 365.437 2.577 0 50 FFAA NC(=O)COc1cccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857683031 PWDPJMJPXFUKSG-PKOBYXMFSA-N 368.481 2.679 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)C2CCC2)CC12CCN(Cc1ccccc1F)CC2 1857691889 FNPGWIFJSQCBEK-KRWDZBQOSA-N 374.456 2.751 0 50 FFAA Cc1cc(N2CCC3(CC2)CC(=O)NCCO3)nc2cc3c(cc12)CCC3 1857693677 HFYOCNBUKQOMCV-UHFFFAOYSA-N 365.477 2.907 0 50 FFAA Cc1noc2ncnc(N[C@@H]3C[C@H]4CO[C@@H](c5ccccc5)CN4C3)c12 1857724160 ODLKJDUGDAYGEE-OWCLPIDISA-N 351.410 2.553 0 50 FFAA O=C(COc1ccc2ccccc2c1)NCCc1nnc(-c2ccco2)[nH]1 109874337 IQLNRBKXXFURSJ-UHFFFAOYSA-N 362.389 2.956 0 50 FFAA CCOc1ccccc1C(=O)N1CCN(c2ccnc(C(C)C)n2)CC1 110232490 CRKXGTBSAZEABC-UHFFFAOYSA-N 354.454 2.961 0 50 FFAA C[C@H](CN1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(C(F)(F)F)cc1 225720968 GTSOXTNXXJCCLV-CYBMUJFWSA-N 366.387 2.891 0 50 FFAA CCN(C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@@H](C)c1cccnc1 115675694 GTXBRNMBCVZBBJ-KRWDZBQOSA-N 373.545 2.733 0 50 FFAA COC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C)o1 266896827 CNGPAGFVEHKVDF-QZTJIDSGSA-N 370.449 2.944 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 2325738783 HXNXJPUMVQBLIA-CVEARBPZSA-N 355.438 2.600 0 50 FFAA CN1CC[C@@H](n2cc(C(=O)Nc3ncc(-c4cccc(F)c4)s3)nn2)C1 2325764254 DZJIRBQNCVXBRV-CYBMUJFWSA-N 372.429 2.670 0 50 FFAA Cn1nnc2c1[C@@H](C(=O)Nc1cc(C(F)(F)F)c3cn[nH]c3c1)CCC2 2325774283 BLIFOLMHBXTHAS-VIFPVBQESA-N 364.331 2.769 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2c(C)nn3c2CCCC3)C1 2325798736 UZSZOLGSOSPFRZ-OAHLLOKOSA-N 358.442 2.564 0 50 FFAA CC(C)Cc1n[nH]c2ccc(C(=O)N3CCN[C@H](c4cccnc4)C3)cc12 2325799160 YOGJEWMBWNMVNV-FQEVSTJZSA-N 363.465 2.943 0 50 FFAA CCOc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1OCC 100146967 CEMDJRXKJDUJQM-LNMJFAINSA-N 355.434 2.834 0 50 FFAA Cc1c(-c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 537759 ANYXUEIQQWKBQV-UHFFFAOYSA-N 374.444 2.949 0 50 FFAA O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(N2C(=O)CCC2=O)c1 1209039 XJTGLAKVPZRJNK-UHFFFAOYSA-N 357.749 2.923 0 50 FFAA COc1ccc(CN2Cc3nnc(-c4oc(C)nc4C)n3[C@@H](C)C2=O)cc1 2356136616 BLQSFYFIJJJVFD-LBPRGKRZSA-N 367.409 2.662 0 50 FFAA COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 2979873 DZLOXFPTAZYCIC-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCC[C@]12CCCNC2=O 2356162484 DGJMWHLGYBERAB-INIZCTEOSA-N 374.334 2.808 0 50 FFAA CN(C)c1cc(C(F)(F)F)nc(NC[C@]2(O)CCc3ccccc32)n1 133745973 ONVZTUPVMIFWKC-MRXNPFEDSA-N 352.360 2.807 0 50 FFAA O=C(NCc1ccc(Oc2ccccc2)cc1)N[C@H]1CCc2ncnn2C1 112747542 RNBMDZXQSUCURY-INIZCTEOSA-N 363.421 2.885 0 50 FFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(OC)c1 248177565 BGAPWPUUTJRBTK-OALUTQOASA-N 374.481 2.776 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1C 55564304 HRANSXNLRIGVSE-UHFFFAOYSA-N 366.465 2.714 0 50 FFAA C[C@H](CO)CN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77538101 MZQDVXXSMDIYND-HNNXBMFYSA-N 350.890 2.783 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCC2(C=Cc3ccccc32)CC1 67713712 FAOZRMTVCSVTTP-HSZRJFAPSA-N 366.505 2.811 0 50 FFAA O=c1n(CCc2ccccc2)nc(C2CCNCC2)n1Cc1ccccc1 67833854 NYDVSPSOKKPZRN-UHFFFAOYSA-N 362.477 2.803 0 50 FFAA Cc1cc(=O)n2nc(CN3CC[C@@H](Cc4ccc(F)cc4)C3)sc2n1 121355675 SIBSIBPNLJSCQU-AWEZNQCLSA-N 358.442 2.663 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)n[nH]2)n1 67713157 PSJSDWSRAPFEJZ-GOSISDBHSA-N 353.401 2.998 0 50 FFAA C[C@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cncn1 281968828 YJAMDTCASITKDZ-YUSALJHKSA-N 367.222 2.803 0 50 FFAA CCOc1ccc(-c2ccnc(NC3CCN(C)CC3)n2)cc1C(=O)O 72479323 HXAJUYFHJZIEPG-UHFFFAOYSA-N 356.426 2.747 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCCn2cncn2)cc1 77298310 PWFQXTBQMOKZJP-LJQANCHMSA-N 355.486 2.874 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2noc3c2CCCC3)n1C 328630577 JOJUAJPCHSRNTF-QGZVFWFLSA-N 356.470 2.979 0 50 FFAA C[C@H]1CC[C@@H](CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)O1 328632186 RRZYTQWRCPYVPI-ZTTFOMCMSA-N 362.518 2.609 0 50 FFAA Cn1cnc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3ccnn3C)cc2)n1 282067633 WNQPXFSBIJEFEY-QGZVFWFLSA-N 365.441 2.975 0 50 FFAA COCCCN1C[C@@]2(CCCN(Cc3cccc(Cl)n3)C2)CCC1=O 72474021 RGPPDVZCRCEJRY-IBGZPJMESA-N 365.905 2.976 0 50 FFAA CCC1(CC)[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H]1OC 124281232 RBEDDNQJWCUKIO-JKSUJKDBSA-N 353.484 2.756 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1 39543759 JARYJVXXHCKPPP-ICSRJNTNSA-N 373.447 2.834 0 50 FFAA C[C@@H]1COc2ccccc2CN1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363686605 GNLIQZDXCPEPSF-PBHICJAKSA-N 356.426 2.877 0 50 FFAA O=C1OCCN1C1CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1 72121876 YSAJLGBHOSVCMI-UHFFFAOYSA-N 363.421 2.817 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCO[C@@H](C(F)(F)F)C1 71730587 PTSCRJAWSFLBSS-CYBMUJFWSA-N 352.316 2.624 0 50 FFAA COc1cccc(CN2CC3(CCN(CC[C@H]4CCOC4)CC3)CC2=O)c1 77378825 HUHBJLIALYRHHH-SFHVURJKSA-N 372.509 2.936 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CC[C@@H]2CNC[C@@H]2C1 333110410 GITXNPLTRVPOEC-QZTJIDSGSA-N 370.497 2.776 0 50 FFAA CCOc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)cc1OC 378201050 MGBIXGSAGIAVJO-INIZCTEOSA-N 371.437 2.705 0 50 FFAA O=C(NCCc1ccccc1F)N1CCCC[C@@H]1CCN1CCOCC1 72152982 WIDGDLIHZATHQW-GOSISDBHSA-N 363.477 2.655 0 50 FFAA O=C1CC[C@@H](NCc2cccc(C(=O)N3CCCCC3)c2)C2(CCC2)N1 282865527 UGEVYBCJBKNIQV-GOSISDBHSA-N 355.482 2.604 0 50 FFAA Cc1cccc([C@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C(=O)O)c1C 263080630 PTAUFUUHAZYDFV-LRDDRELGSA-N 368.389 2.579 0 50 FFAA C[C@@H](C(=O)N1CCCC[C@H]1c1cccn1C)n1nnc(-c2ccccc2)n1 173543868 SDLWFEARGJKFBJ-YJBOKZPZSA-N 364.453 2.993 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(CC(=O)O)c2)CC1=O 263144418 KETJNWHZLTUWRN-WMLDXEAASA-N 366.417 2.862 0 50 FFAA Cc1cc2c(=O)n(NC(=O)c3ccc4c(c3)OCO4)c(=S)[nH]c2s1 17074399 VNCCHMXJUQZSCA-UHFFFAOYSA-N 361.404 2.542 0 50 FFAA C[C@@]1(C(=O)O)CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 263482365 UTZKJJINUQBREI-IBGZPJMESA-N 357.410 2.510 0 50 FFAA COc1cc(CN2CCCN(C)CC2)ccc1OCc1ccc(C(=O)O)o1 222428280 ZCDWQLKDELGUNE-UHFFFAOYSA-N 374.437 2.703 0 50 FFAA Cc1cc(OC(C)(C)C(=O)NCCN2CCCC2=O)cc(C)c1Cl 223589255 XPPWLPYTVKQFHZ-UHFFFAOYSA-N 352.862 2.853 0 50 FFAA C[C@H](CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)Cn1cccn1 20607020 JJJHXMXBRFFRPK-SECBINFHSA-N 371.388 2.916 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 92047071 BTYUXBJKWTYHBF-VQTJNVASSA-N 366.509 2.898 0 50 FFAA Cc1ncsc1CCC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O 95389365 JJXSDYKDSYKMQT-GFCCVEGCSA-N 372.368 2.614 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(F)cc2)CC1 91974383 WXVNLKVCHNUBGJ-UHFFFAOYSA-N 354.433 2.579 0 50 FFAA CCN1CCCC[C@H]1CNC(=O)N1CCC(OCc2cccnc2)CC1 426701365 GGKABIVGOWHYCI-SFHVURJKSA-N 360.502 2.647 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@H](c3cccc(F)c3)N(C)C)C2)c1 95368197 HNNZDHDAXAFYSG-IBGZPJMESA-N 358.413 2.727 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 95527884 BNLQVIVGIOKTRJ-UHFFFAOYSA-N 370.457 2.829 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 95358015 ITHDOBRNYAUADU-OAQYLSRUSA-N 360.417 2.581 0 50 FFAA CC(C)c1ccc(CN2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)cc1 91586211 PWRDQSJUTNJAOR-IEBWSBKVSA-N 365.543 2.513 0 50 FFAA COc1ccc(-n2ccnc2CN2CCO[C@@H](c3cccnc3)C2)cc1 97757960 AXMTWOZAVIJKKI-LJQANCHMSA-N 350.422 2.849 0 50 FFAA CC[C@@H]1c2ccsc2CCN1C(=O)COc1cccc2c1NC(=O)CO2 180752991 PTEJJRSVXBGFHF-CYBMUJFWSA-N 372.446 2.994 0 50 FFAA CCOCc1nc(-c2cccc(OC)c2OC)n(C2CCN(C)CC2)n1 91574882 FQCWESBFPMZKEL-UHFFFAOYSA-N 360.458 2.766 0 50 FFAA CC1(C)SC[C@H](C(=O)NCCCSCc2ccccc2F)NC1=O 97785529 WMGSAULALZDCJS-CQSZACIVSA-N 370.515 2.575 0 50 FFAA Cc1ncn(Cc2nc(CC3CC3)nn2-c2ccccc2C(=O)O)c1C 96131407 RXZLQNYSRGQYHB-UHFFFAOYSA-N 351.410 2.780 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cn3ccsc3n2)n1 97813666 TXDBFISXVSEIMY-VIFPVBQESA-N 371.388 2.986 0 50 FFAA O=C(O)CN(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 95500174 YZIUCHHSCXHMIQ-SFHVURJKSA-N 364.461 2.603 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@H]2COc3c(cccc3OC)C2)C1 95362307 KFSLCDOCXPCRJX-OAHLLOKOSA-N 369.417 2.545 0 50 FFAA COc1ccc([C@@]2(C(=O)N3CCC(OCCN(C)C)CC3)CC2(C)C)cc1 97527238 BAWHJVDRPKDJQU-JOCHJYFZSA-N 374.525 2.932 0 50 FFAA c1ccc(Cn2ccnc2CN2CCN(C3CCSCC3)CC2)cc1 244626746 FRSCXKUPZNRWOT-UHFFFAOYSA-N 356.539 2.945 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244633660 GHCIKPJUXRPCIY-ZRGWGRIASA-N 370.474 2.722 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=C(C)c3cc(C)ccc3N12 248379658 NNERDYKOTGZKJU-NCXUSEDFSA-N 366.461 2.958 0 50 FFAA Cc1nc(C(=O)NCC2(C)CCNCC2)nn1-c1ccccc1C(C)C 183308266 IPTXNSKDLPXVHC-UHFFFAOYSA-N 355.486 2.819 0 50 FFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 299748761 ICEBUTZXBQDAQE-DLBZAZTESA-N 367.401 2.618 0 50 FFAA CC(C)n1c(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)nc2ccccc21 299802807 QGQJGUSSXKXACD-ROUUACIJSA-N 352.442 2.555 0 50 FFAA CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccc(O)c1)CCO2 299775776 JLQCIGIXAXLMBW-OAQYLSRUSA-N 356.466 2.556 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)[nH]1 299770177 ZXVGGZBGUODHIL-IXDOHACOSA-N 373.497 2.510 0 50 FFAA Cc1nc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)c2ccsc2n1 299756356 GPPKJGTZAKUCOZ-UHFFFAOYSA-N 370.482 2.807 0 50 FFAA CCc1nc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299771969 YMEYIRJSBXKZEW-BBWFWOEESA-N 354.454 2.816 0 50 FFAA CC(C)(C(=O)N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 299788424 SIWXSCAIDJHIPC-GOSISDBHSA-N 357.429 2.537 0 50 FFAA Cc1ccc(CN2CCN(C(=O)CCN3CCCCCCC3)CC2=O)cc1 299763072 ZFEODQSQPUFKDM-UHFFFAOYSA-N 371.525 2.822 0 50 FFAA COC(=O)COc1ccc(NC(=O)N[C@H]2COC3(CCCCC3)C2)cc1 299782311 XLMCOBGRBGUNOF-OAHLLOKOSA-N 362.426 2.852 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 823819753 MSBPCVKJCXTVNM-UHFFFAOYSA-N 365.433 2.744 0 50 FFAA O=C(NC[C@@H]1CCN(C2CCCC2)C1)N1CCC(Oc2cccnc2)CC1 584896819 DVHOPTPRYIDWLD-KRWDZBQOSA-N 372.513 2.899 0 50 FFAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1nc2ccccn2c1F 670438293 QRBAVYJASQHWBK-INIZCTEOSA-N 352.413 2.693 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c1 952989767 OXADDTZBDWIRTL-MRXNPFEDSA-N 358.463 2.982 0 50 FFAA N[C@@H](C(=O)NC[C@H]1CCCc2nccn21)c1ccccc1C(F)(F)F 1875292864 VINCLCLEJYLSRW-IAQYHMDHSA-N 352.360 2.596 0 50 FFAA Cc1ccccc1-n1nc(C)c(CNC(=O)N2C[C@H](O)C[C@@H]2C2CC2)c1C 1875269849 ZAHRAASASPMMAO-YLJYHZDGSA-N 368.481 2.852 0 50 FFAA O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N1CC[C@H](c2cccc(O)c2)C1 1875285331 KBLNXGCRBABUAS-SUMWQHHRSA-N 354.381 2.658 0 50 FFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc2ncc(C)cc2s1 1875328963 VMEWSHMYXGOOJS-AWEZNQCLSA-N 352.419 2.916 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CN[C@@H]2CCOC[C@@H]2C1 1875305035 CXCYWXHTVYHOHG-OFQRWUPVSA-N 356.388 2.678 0 50 FFAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)c3ccccc3)C2)c1C 1875301942 YFEZKBLRSKNVTH-SJLPKXTDSA-N 367.497 2.725 0 50 FFAA COC(=O)c1ccc([C@H](O)Cn2cnc3cccc(Cl)c3c2=O)cc1 1875320677 UUEPDROLDIYXND-OAHLLOKOSA-N 358.781 2.570 0 50 FFAA N[C@]1(c2cccc(F)c2)CCN(C(=O)[C@@H](O)c2ccc(C3CC3)cc2)C1 1875405931 RUWYHJPRUKEUEM-PZJWPPBQSA-N 354.425 2.823 0 50 FFAA C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1S(=O)(=O)c1cnn2ncccc12 1875407611 DXZRZFFSNYNCRI-IJEWVQPXSA-N 356.451 2.685 0 50 FFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1csc(-c2ncccn2)n1 952964830 AAPICAVXUCYZEN-UHFFFAOYSA-N 358.427 2.769 0 50 FFAA O=C(CCn1cc(Cl)cn1)N1CCC(O)(Cc2ccccc2F)CC1 1339421124 RPDMOJUUFFPEAH-UHFFFAOYSA-N 365.836 2.662 0 50 FFAA C[C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C[C@@H](c2ccccc2)O1 895876283 PMNKHHVFBBQXJO-CCKFTAQKSA-N 354.454 2.779 0 50 FFAA C[C@](CC(=O)O)(C(=O)Nc1ccc2c(c1)C(=O)NCC2)C1CCCCC1 169988588 MXXUIPNSJDTYDG-HXUWFJFHSA-N 358.438 2.972 0 50 FFAA COCc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 192453171 WHDFCOKAEBTKOH-UHFFFAOYSA-N 352.434 2.868 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 1506395538 JKZXVICVCZFREX-HXUWFJFHSA-N 369.440 2.899 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnc(C)o2)c1 1506418701 PPOJPNVCVHSJPC-INIZCTEOSA-N 361.467 2.986 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](n2nc(C)cc2C)C1 1506405516 BCCIZHCSPURKQM-MRXNPFEDSA-N 363.483 2.761 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2O)on1 1529114080 KNESFKXHEGZVPI-KDOFPFPSSA-N 356.401 2.548 0 50 FFAA O=C(CN1CCC([C@@H](O)c2cccs2)CC1)N1CCOc2ccccc21 1529185925 SUMCHNIYXIYHJX-HXUWFJFHSA-N 372.490 2.919 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)Cc2sc(C)nc2C)C[C@@H]1C(=O)O 222262725 XJPHWTVXJCAPPA-CABCVRRESA-N 374.462 2.638 0 50 FFAA COc1cc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)ccc1OC(C)C 1704329330 RCAGOTRELBOTGN-UHFFFAOYSA-N 374.485 2.718 0 50 FFAA CCC[C@H](CO)NC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704328555 LKTZIJIMTWPMID-OAHLLOKOSA-N 373.453 2.841 0 50 FFAA O=C(Cn1cccn1)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12089808 QORZCPNVEGDSFP-FQEVSTJZSA-N 374.529 2.545 0 50 FFAA Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 12372501 CMHHMHQZDVRLAZ-JTQLQIEISA-N 350.371 2.654 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2cccnc2)co1 12387783 FXVSDOMYQXDFPX-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA O=C(Cn1cncn1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 12457748 VBDWZTPXTQZHQU-HXUWFJFHSA-N 359.518 2.563 0 50 FFAA CC1(C(=O)N2CC[C@]3(C2)Cn2c(nnc2-c2ccccc2Cl)CO3)CC1 1857685217 QUDFOXWYVOEFII-IBGZPJMESA-N 372.856 2.900 0 50 FFAA O=C(c1ccc(OC(F)F)cn1)N1CC[C@H](c2ccccc2)S1(=O)=O 814091269 QEAMKQFONLGULR-CQSZACIVSA-N 368.361 2.600 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCc2c(nc(C(C)C)n2C)C1)c1ccccc1 112666997 MSQJYSIYAQLPAS-KRWDZBQOSA-N 368.481 2.696 0 50 FFAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccn[nH]2)CC1 125852219 VPLCEKXTPCMHMJ-SFHVURJKSA-N 372.444 2.709 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)cc2)n1 237696971 HKOJCRUVHUEHEV-OAHLLOKOSA-N 356.426 2.601 0 50 FFAA CN[C@@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 133944914 VWRCOVUSHKSIKZ-CYBMUJFWSA-N 355.276 2.819 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(F)cc(Cl)c1 486694329 MLANMLSYFJJYKP-KRWDZBQOSA-N 361.804 2.816 0 50 FFAA O=C1C[C@H](C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CN1CC(F)(F)F 164123093 LOOXOCVGSZSOJF-DZGCQCFKSA-N 369.387 2.500 0 50 FFAA Cc1ncc(-c2cn(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)nn2)n1C 2325772769 CKNCFCJQARRONV-AWEZNQCLSA-N 356.817 2.834 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)[C@H](F)c3ccccc3)C2)n[nH]1 2325842595 BQNROLHKFMUTPY-WMLDXEAASA-N 358.417 2.575 0 50 FFAA C[C@H](CNC(=O)Cc1cccc2cnccc12)CNC(=O)C[C@H]1C[C@@H]1C 2325868415 YYIHZGHDYSTJIX-RVKKMQEKSA-N 353.466 2.692 0 50 FFAA COc1ccc(Cn2nc(Cc3cccnc3)nc2-c2n[nH]cc2F)cc1 2325876054 JINGDZRGSUWCBZ-UHFFFAOYSA-N 364.384 2.850 0 50 FFAA Cc1ccc(S(=O)(=O)[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1 820615 REUJKBFELXQEDZ-SNVBAGLBSA-N 362.637 2.551 0 50 FFAA CCOC(=O)c1c(C(=O)OC)c(C(=O)OC)c2c3ccccc3ccn12 2529432 ZCIDZPAMBMSDQU-UHFFFAOYSA-N 355.346 2.842 0 50 FFAA COc1cc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)cc(OC)c1OC 2994867 UHNKIPDBLYFLBF-KZULUSFZSA-N 373.405 2.671 0 50 FFAA CCCCCCOC(=O)C[C@@H](C(=O)OCCCCCC)S(=O)(=O)O 4065044 SOSQXPIKTBUEKF-AWEZNQCLSA-N 366.476 2.880 0 50 FFAA C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@H]1O2)n1c(S)nnc1-c1cccs1 225422202 KPGRAKDSJXMSJB-IRCOFANPSA-N 364.496 2.540 0 50 FFAA COc1ccccc1-c1nc2c3c(C)c(C)n(CCCO)c3ncn2n1 9341463 REUYTQTXWPJANB-UHFFFAOYSA-N 351.410 2.754 0 50 FFAA c1nc(N2CCC(n3cc(C4CCCCC4)nn3)CC2)c2nc[nH]c2n1 55382786 CLYXTWVBEJCOLS-UHFFFAOYSA-N 352.446 2.834 0 50 FFAA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2Cl)CC1 20865300 BIBIZYKYFLFBIJ-UHFFFAOYSA-N 368.824 2.539 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 27639666 ROUDCKODIMKLNO-DVSMABSXSA-N 368.470 2.654 0 50 FFAA in-vitro Cc1ccc2nc(CN(C)C(=O)c3cccc(S(C)(=O)=O)c3)[nH]c2c1 67541945 HRUICNNTBANJBH-UHFFFAOYSA-N 357.435 2.547 0 50 FFAA C/C(=C\c1ccco1)CN1CCN(c2nc3ccccc3n2CCO)CC1 65509049 MTRRIASZPMXSCX-BMRADRMJSA-N 366.465 2.847 0 50 FFAA Cc1ccccc1-c1ccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 20599367 HANAWBJHEQNASV-VXKWHMMOSA-N 352.478 2.539 0 50 FFAA C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CC[C@@H](c2ccccc2)C1 229723393 HDCANSWPWGXMTL-NVXWUHKLSA-N 372.490 2.907 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](N(C)Cc2ccccc2)C1 22851331 MVZAVMFCEGZCJE-SFHVURJKSA-N 356.470 2.683 0 50 FFAA COC(=O)Cc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 121490177 KIMPJPDXGQFGFC-UHFFFAOYSA-N 350.378 2.544 0 50 FFAA Cn1cc(C(=O)NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1=O 216096574 RJQGJCPJLHINSJ-LVBDODCMSA-N 358.482 2.881 0 50 FFAA Cc1cc(C[C@H](C)Nc2nc(C3CCCC3)nc3c2CCNCC3)n[nH]1 72418095 CCQFHJCGPYRDCH-ZDUSSCGKSA-N 354.502 2.897 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 77457825 YLTRBANLVNZDTR-NRFANRHFSA-N 373.456 2.963 0 50 FFAA CC(C)c1nnc2n1CCN(Cc1ccc3c(c1)CCC(=O)N3C)[C@H]2C 363973794 KGAWJHYMTKMYQK-AWEZNQCLSA-N 353.470 2.887 0 50 FFAA C[C@@H]1C[C@@H](c2cccs2)CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 376773085 OYPILSWATVVGBP-DGCLKSJQSA-N 363.460 2.985 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3conc3-c3ccccc3)CC2)OC1=O 72151855 GVFDJXTYAUKPMY-LJQANCHMSA-N 355.394 2.789 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 366058579 JGQSEEDNJTZGEA-PKOBYXMFSA-N 362.514 2.582 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1 366381737 QTWPUQFQSOSBOA-CJSSEVFESA-N 370.493 2.855 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 72146071 VZZYRIZFHDWVKM-QGZVFWFLSA-N 356.463 2.708 0 50 FFAA CCc1nc(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c2ccsc2n1 333695075 NBJCKWVNESAVIQ-MRXNPFEDSA-N 351.497 2.659 0 50 FFAA CCOc1ccc(-c2ccc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)o2)cc1 216379466 FDNWEWFEQIIHJR-PMACEKPBSA-N 356.466 2.986 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)NC3CCC(C(=O)O)CC3)cc2)C[C@H](C)O1 237627426 BGOMWBUOUBRHSJ-GKVPXEHWSA-N 374.481 2.669 0 50 FFAA Cc1n[nH]c(SCC(=O)Nc2nn(C)c3cccc(OC(C)C)c23)n1 77390823 WWKMJOYFTQYTJZ-UHFFFAOYSA-N 360.443 2.518 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 77470801 DVDGZPVWAYYSHN-MRXNPFEDSA-N 363.421 2.545 0 50 FFAA Cc1nc([C@H](C)NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C)s1 215353539 MHKJPWIYADAUJK-JTQLQIEISA-N 367.496 2.501 0 50 FFAA COc1ccc2[nH]cc(CCNC(=O)c3cc(C(F)(F)F)nn3C)c2c1 13961438 NLUJATCJTWCHIQ-UHFFFAOYSA-N 366.343 2.901 0 50 FFAA Cc1ccc(C)c(OCCCN(C)C(=O)[C@@H]2CC3(CCNCC3)CN2C)c1 72424837 PQDCZTMUVQUMRS-IBGZPJMESA-N 373.541 2.605 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77489074 DLFCHEHYFRIFEN-INIZCTEOSA-N 362.445 2.846 0 50 FFAA O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cscc1Br 285414160 GASPCVQURBSZHP-JTQLQIEISA-N 367.272 2.699 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)NC[C@@]3(C)CCCO3)c2C1 176501005 RHWVWYVLGFQGMS-OAQYLSRUSA-N 353.466 2.912 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192141874 KHBUWRLEUCNXLN-IBGZPJMESA-N 372.557 2.677 0 50 FFAA Cn1c(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc2ccccc21 220345509 LYKCNVSUXCFGON-OAHLLOKOSA-N 351.381 2.853 0 50 FFAA COC[C@@H](C)NC(=O)c1ccc(-c2ccc(CC(=O)N(C)C)cc2)cc1 426662581 YUXGLOXMDLDFSY-OAHLLOKOSA-N 354.450 2.749 0 50 FFAA CCC(C)(C)NC(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 426490321 OJRFECMJYKCSGC-UHFFFAOYSA-N 369.469 2.869 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc(Cl)c1 239309513 HQEBYMHZTNXSOO-RIMFYDMWSA-N 370.836 2.722 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@H](c1cccnc1)N1CCOCC1 95364496 LKFJMEUZGGFSGN-IBGZPJMESA-N 371.506 2.712 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)N2CCCN(c3ccccc3)CC2)n1 426734171 VIPYUPKECHMMIL-KRWDZBQOSA-N 355.486 2.810 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)n[nH]1 91645018 MFSORDDBLFPKRW-DZGCQCFKSA-N 359.499 2.726 0 50 FFAA O=C(c1cscn1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91871622 RJRVEBHCNUBPAC-CQSZACIVSA-N 353.451 2.803 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CC[C@H](Cc4ccc(CO)cc4)C3)cc2n1 95361813 LYBRSXMHIGAKNE-GOSISDBHSA-N 364.449 2.543 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H](c3ccccc3F)N(C)C)CC2)ccn1 95358318 VTLUZVSDBLVKRV-FQEVSTJZSA-N 370.472 2.871 0 50 FFAA O=C1C[C@H](C(=O)N2CCC(Oc3ccncc3)CC2)c2cc(F)ccc2N1 91746178 BCYQNAOGIUGRRO-KRWDZBQOSA-N 369.396 2.717 0 50 FFAA COc1cc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cc(OC)c1 91381614 WBCSPFBLAJVCHD-RTBURBONSA-N 362.514 2.620 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)[nH]n2)s1 91985842 GQSSGSNYQBXNCX-UHFFFAOYSA-N 369.494 2.706 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91664448 HLPWTVOMNOWOBE-JKSUJKDBSA-N 374.448 2.608 0 50 FFAA Cc1cc(OC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1Cl 239046972 GAQNXHHQPKBXGR-HBRAGZAPSA-N 371.820 2.607 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1cc(COC)[nH]n1 95362707 GBFQEOXGYSVPIC-INIZCTEOSA-N 355.442 2.736 0 50 FFAA O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](Cc2cccc(CO)c2)C1 91713864 QGOLPTWQELWWAK-INIZCTEOSA-N 363.413 2.990 0 50 FFAA Cc1nc(NCCn2nc(-c3ccccc3)ccc2=O)c2c(C)noc2n1 95384738 HNIONIKJBVAVQR-UHFFFAOYSA-N 362.393 2.570 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 95524245 OMRLDVVLEPWZFM-AWEZNQCLSA-N 360.424 2.883 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 95502735 MRNJQCAECLEQFY-AWEZNQCLSA-N 359.447 2.869 0 50 FFAA O=C(Nc1ccc(-n2cncn2)cc1)NC1CCN(Cc2ccco2)CC1 95497133 GUEYMDIEZUNYFY-UHFFFAOYSA-N 366.425 2.646 0 50 FFAA Cn1cc([C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]2C[C@@H](O)C2)cn1 244894035 YYSNKIAUONXBKX-ISTRZQFTSA-N 367.371 2.610 0 50 FFAA Cc1cc(CNC(=O)c2cccc(-c3cc(OC(C)C)nc(N)n3)c2)no1 534666222 ZSUYHALYXHYRDT-UHFFFAOYSA-N 367.409 2.739 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccccc4F)c3CO2)cc1 263619581 ZJEXGAJQINDCTF-KRWDZBQOSA-N 368.368 2.950 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCc1cccc(CN2CCCC2)c1 299771032 YOAVKPQPWCMQJJ-UHFFFAOYSA-N 355.438 2.856 0 50 FFAA Cc1n[nH]c([C@H]2CCCN(C(=O)Cn3c(C(C)C)nc4ccccc43)C2)n1 299781684 XIFHGDNXVLVCMI-HNNXBMFYSA-N 366.469 2.992 0 50 FFAA O=S(=O)(c1c[nH]c2ncc(Cl)cc12)N1CCC[C@@H](c2cc[nH]n2)C1 906842939 IKLUPPZSKXHFPS-SNVBAGLBSA-N 365.846 2.508 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cc(-c2ccccn2)[nH]n1 670441071 RYBBGSKAUBOXHC-IBGZPJMESA-N 358.405 2.840 0 50 FFAA O=C(CCc1cccc2c1OCO2)Nc1ccn(Cc2ccncc2)n1 185493366 GXGIPYRKADWSRW-UHFFFAOYSA-N 350.378 2.626 0 50 FFAA CC(=O)NC[C@H]1CCCN(c2cc(C)nc(N(C)c3ccccc3)n2)C1 1875273356 RLYIKAWGTWYLIR-QGZVFWFLSA-N 353.470 2.905 0 50 FFAA COCCNS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 1875345797 JGEKXXUQRVSGBO-UHFFFAOYSA-N 363.060 2.681 0 50 FFAA COc1cccc(C(C)(C)C(=O)N=[S@]2(=O)CCC[C@]3(CCCN3)C2)c1 1875393562 OSLKEQDQLITOLP-CLOONOSVSA-N 364.511 2.883 0 50 FFAA CCn1c(C)cc2cc(NC(=O)c3cn(C[C@H]4CCCNC4)nn3)ccc21 952975336 IZLXIXBYORFOGG-HNNXBMFYSA-N 366.469 2.813 0 50 FFAA CC(C)Cc1cc(C(=O)NCc2cnn(-c3ccc(F)cc3)c2)nc(N)n1 952975436 RQQSPSIINSASQK-UHFFFAOYSA-N 368.416 2.512 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cccc3c2CCC3=O)n1 952981358 WGBMUVXQFOBOJF-INIZCTEOSA-N 369.421 2.755 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)cc1 952965979 BMWCKQHWKDEYCF-QGZVFWFLSA-N 358.463 2.815 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@H]2C[C@H]4C=C[C@@H]2C4)CC3)cn1 1565507881 VDULPZYZHBDUMV-GUTXKFCHSA-N 350.422 2.577 0 50 FFAA CC1=NN(c2ccc(C(=O)NS(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)cc2)CC1 408494127 HJIAVTZSZLMMSI-KMFMINBZSA-N 361.467 2.521 0 50 FFAA CC1(C)Cc2ccc(C(=O)NCCOc3ccc4c(c3)OCO4)c(O)c2O1 170621233 SXAMQMIZMUVFOH-UHFFFAOYSA-N 371.389 2.643 0 50 FFAA O=S(=O)(c1ccc(CN[C@@H]2CCC23CCCC3)cc1)N1CCOCC1 189043961 MCBFUCDZCFIYDG-GOSISDBHSA-N 364.511 2.520 0 50 FFAA Cc1cnc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)cn1 1704312223 FXXUWHZVTIOLEY-UHFFFAOYSA-N 362.433 2.971 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772815967 FFELYIATAJPXGT-OAHLLOKOSA-N 367.478 2.702 0 50 FFAA CCN(CC)S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 5471104 XCJNWGGDVGHMLY-UHFFFAOYSA-N 358.419 2.518 0 50 FFAA O=C1CCCCN1c1ccc(S(=O)(=O)NCCc2cccs2)cc1 12002238 HBSGNFGHRACGBK-UHFFFAOYSA-N 364.492 2.786 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)C1=O 12447970 QCSIEJCIXFKWFE-OAQYLSRUSA-N 355.482 2.761 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12575436 CIPIRYDZEUCYIO-QFIPXVFZSA-N 371.525 2.571 0 50 FFAA CSC[C@@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14742701 CURZHPQEBOISAR-OAHLLOKOSA-N 361.511 2.667 0 50 FFAA O=C1O[C@@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@@H]2N1C1CCCC1 15075109 SZKRBYJEZAXQSU-JKSUJKDBSA-N 362.499 2.691 0 50 FFAA O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NC1CCCCC1 16652236 OXQGLOZWCPPEGT-HNNXBMFYSA-N 352.438 2.957 0 50 FFAA O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCCC1 19860674 HMTBQVLQNNWWEF-HNNXBMFYSA-N 370.902 2.504 0 50 FFAA Cc1ccc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)nn1 1857712766 HEGYGTFPAXLCPI-UHFFFAOYSA-N 374.448 2.827 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 219296439 KBZRNWXJLHKMOX-UXHICEINSA-N 366.509 2.959 0 50 FFAA C[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 123996393 HFMJQGZQNMKBCG-KKUMJFAQSA-N 359.470 2.987 0 50 FFAA C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)CC1 126153051 KXGXZBGADIMKTM-DNVCBOLYSA-N 367.497 2.792 0 50 FFAA COc1cc2c(=O)ncn(CC(=O)Nc3ccccc3Cl)c2cc1F 462363108 SASAYVHDGNOICA-UHFFFAOYSA-N 361.760 2.836 0 50 FFAA COc1cccc(N2CC[C@H](NC(=O)c3cc(-c4cccnc4)on3)C2)c1 264001240 SBANUVLNECNGIR-HNNXBMFYSA-N 364.405 2.754 0 50 FFAA O=C(N[C@H]1CCOC2(CCCC2)C1)[C@@H]1CSCN1C(=O)C1CCCC1 162280359 OEYOKCCCLAUTEV-HOTGVXAUSA-N 366.527 2.686 0 50 FFAA COc1ccc(OC)c(Nc2nc3nonc3nc2N2CCCCC2)c1 832919 RKUWVLUBXZGDJZ-UHFFFAOYSA-N 356.386 2.764 0 50 FFAA CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)nc1C 891023 RUGWWEOPFPNESJ-UHFFFAOYSA-N 366.468 2.766 0 50 FFAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1 1184836 GKWFXEJJCJIWKZ-CMDGGOBGSA-N 357.431 2.840 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N2CCc3cc(F)cc(F)c32)cc1 2325746209 GSIHZUKULGGCMU-UHFFFAOYSA-N 352.362 2.963 0 50 FFAA N[C@H](CCNC(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)Cc1ccccc1 2325761977 SQHOTIWMIWCKFX-VAMGGRTRSA-N 368.481 2.561 0 50 FFAA Cc1cc(C)c(-c2cc(NC(=O)c3n[nH]c4c3CCNC4)n[nH]2)cc1C 2325796007 LKSBVCAIZJAHNB-UHFFFAOYSA-N 350.426 2.623 0 50 FFAA O=C(Nc1cccc(CC[C@H](O)c2ccccc2)c1)[C@H]1CNC2(CC2)CO1 2325799351 PPFLBLLIFICUOD-VQTJNVASSA-N 366.461 2.812 0 50 FFAA COc1cc([C@@H]2CCCN2C(=O)c2cnc3n2CCOC3)cc(F)c1F 2325810725 ADKBSZQBWSNAJI-ZDUSSCGKSA-N 363.364 2.677 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2nn(C)c3cccc(Cl)c23)C[C@@H]1O 2356144927 SBHWXPGLMFCNHN-YJBOKZPZSA-N 365.861 2.664 0 50 FFAA C[C@@H](NC(=O)CCNC(=O)c1ccccc1F)c1cn2ccsc2n1 55327517 QDYIYYWTIRMFMM-LLVKDONJSA-N 360.414 2.532 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1cccc(NCc2ccc(F)cc2)c1 55061028 MZOZVIBXZBSBTM-SFHVURJKSA-N 372.396 2.754 0 50 FFAA COc1ccc2c(C)nc(N3CCC[C@H](c4cc(=O)[nH]c(C)n4)C3)nc2c1 67879611 HXVJXDSCSMFMFG-AWEZNQCLSA-N 365.437 2.723 0 50 FFAA Cc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 21726221 NGCQOSAMNPTHEU-HNNXBMFYSA-N 373.420 2.709 0 50 FFAA COc1c(C(=O)N2CCC[C@H](C(=O)O)C2)sc(C)c1Br 136114156 KFSIUOSWHXOQOV-QMMMGPOBSA-N 362.245 2.764 0 50 FFAA C[C@@H](C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1)n1cncn1 67725615 WLQATWCFHWALRP-ZDUSSCGKSA-N 368.416 2.775 0 50 FFAA Cc1nc(CNC(=O)c2ccc([C@@H]3CCCN3CC(=O)O)s2)cs1 20512401 NAWQYPHVXVEQDN-LBPRGKRZSA-N 365.480 2.665 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCCC[C@@H]2CCn2cccn2)c1C 65396262 DKEZEZABYDUBDZ-QGZVFWFLSA-N 358.490 2.600 0 50 FFAA CNC(=O)c1ccnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 67872585 UCYTVDISJMSJSV-VQTJNVASSA-N 361.445 2.949 0 50 FFAA Cc1cc(C)n([C@H]2CCN(Cc3ccc(Sc4nncn4C)o3)C2)n1 65410457 RJADXUXSTOEGOE-AWEZNQCLSA-N 358.471 2.820 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)CCc2ncc(-c3ccccc3F)o2)[C@H]1OC 252486727 MNUWYSUXVHRORU-QMTMVMCOSA-N 362.401 2.722 0 50 FFAA CCN(C)c1cc(N2CCN(Cc3cc4ccccc4n3C)CC2)ncn1 67833524 DLOBLCSZBYDITK-UHFFFAOYSA-N 364.497 2.747 0 50 FFAA Cc1nc(C2(NC(=O)NCc3coc(-c4cccs4)n3)CCC2)no1 172172530 WLYKSJXDEIAKLN-UHFFFAOYSA-N 359.411 2.973 0 50 FFAA COc1cccc2c1OCC(CN1C[C@@H]3C[C@@H](C1)c1cccc(=O)n1C3)=C2 215328240 UKFIDRLMQKDKPE-YJBOKZPZSA-N 364.445 2.752 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CC[C@H]2NC2Cc3ccccc3C2)s1 72474193 WZPDKRIQQVCROL-MSOLQXFVSA-N 355.507 2.707 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cn(C2CCCCC2)nn1 77383573 VERRTGGAKRYTAR-LJQANCHMSA-N 367.497 2.912 0 50 FFAA C[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cncn1 281968823 YJAMDTCASITKDZ-DLOVCJGASA-N 367.222 2.803 0 50 FFAA COc1ccccc1[C@@H](C)NC(=O)CN1CCCN(C2CCCC2)CC1 172583039 HUQGKPZZOLLDBZ-QGZVFWFLSA-N 359.514 2.823 0 50 FFAA Cc1cc(CN2CCN(C(=O)CCc3cn(C)c4ccccc34)CC2)on1 152245278 UBNIUNAWADBEAT-UHFFFAOYSA-N 366.465 2.752 0 50 FFAA O=C1CN(C(=O)CN2CCC[C@@H](Nc3ccccc3)C2)c2ccccc2N1 155039431 XKONOIRONCVBDJ-QGZVFWFLSA-N 364.449 2.548 0 50 FFAA CN(Cc1cnccn1)c1nc(-c2ccc(Cl)cc2)nc2c1CNC2 72137074 HLCMKRPVVDMHSG-UHFFFAOYSA-N 352.829 2.827 0 50 FFAA O=C(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1ccoc1C1(O)CCOCC1 370204639 RZKFRZVAMAHCFC-KBAYOESNSA-N 353.418 2.736 0 50 FFAA CCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C)C(C)C 72154117 WUYMKSXBNFTTRF-LJQANCHMSA-N 359.514 2.723 0 50 FFAA CCOC(=O)CCNC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 13331360 NCLDULRNGZJJIL-UHFFFAOYSA-N 362.405 2.762 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)c1 72427801 GEZOEXLDEWIJKO-LJQANCHMSA-N 370.493 2.905 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237744964 VQTFVHHODDPARJ-HNNXBMFYSA-N 360.385 2.778 0 50 FFAA O=C(Nc1ccon1)C(=O)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 375437765 OQIKXUMFXKQNBH-JKSUJKDBSA-N 353.422 3.114 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cccc(-n2cccn2)c1 77380022 KULVNOQDKSMDPO-UHFFFAOYSA-N 353.451 2.859 0 50 FFAA Cn1c(C(=O)N2CCC[C@@H](c3cc(=O)nc[nH]3)C2)ccc1-c1ccccc1 215757784 HLRBSSLXQJSTAC-MRXNPFEDSA-N 362.433 2.795 0 50 FFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1 239672641 BUKGYQIVDFZTHW-OALUTQOASA-N 358.482 2.638 0 50 FFAA Clc1ccc(-c2noc(CN3CCC[C@@H]3CN3CCOCC3)n2)cc1 174026826 XUJPKIHOEPKLBZ-MRXNPFEDSA-N 362.861 2.687 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3ccc(CO)cc3)C2)c1 77540638 FQQWJSCEBMGTEK-KRWDZBQOSA-N 355.434 2.755 0 50 FFAA COCCc1ccnc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 286314912 PTHRMPASBYLSBD-HXUWFJFHSA-N 367.449 2.963 0 50 FFAA Cn1ncc2c(=O)n(CC(=O)N(C3CCCCC3)C3CCCCC3)cnc21 17180220 VEHAWUYJNZQAPG-UHFFFAOYSA-N 371.485 2.624 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)N(C)C)c1 82083896 BRCZXVJCMZBLBC-NRFANRHFSA-N 371.525 2.849 0 50 FFAA CCn1nc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cc1C 82097402 JJONDWKVHCVWQY-UHFFFAOYSA-N 352.482 2.527 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CC[C@H](CO)[C@H](O)C3)cc(C)c2c1 222365741 ASALARWYXDZEOK-CRAIPNDOSA-N 374.506 2.536 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)Cc2noc3ccccc23)n1 223058324 PPFHHBANRZCJNH-HNNXBMFYSA-N 370.409 2.696 0 50 FFAA CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCC2)cc1 180909549 DYEODVYJCGSQLA-QGZVFWFLSA-N 350.484 2.954 0 50 FFAA COc1cccc(N2CCN(C(=O)NC[C@H]3CCCN(C)C3)CC2(C)C)c1 426489371 MQIRMDRFQIVMCD-QGZVFWFLSA-N 374.529 2.647 0 50 FFAA Cc1cnc(N)nc1N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 92046000 AUPSSEQHRXDDNZ-UHFFFAOYSA-N 352.360 2.874 0 50 FFAA Cc1cc(N2CCC(NC[C@@H]3CCOC3)CC2)nc(-c2ccccc2O)n1 95503723 RUVYJTJSEWPCHQ-INIZCTEOSA-N 368.481 2.753 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1F 91625212 KFLOQULEXOSAHV-MAUKXSAKSA-N 367.424 2.906 0 50 FFAA Cc1ccc2cc(CN3CC[C@](C)(O)[C@H](C)C3)c(N3CCOCC3)nc2c1 92097970 ULZPSPJDTNAHAC-VGSWGCGISA-N 369.509 2.973 0 50 FFAA NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc3sccc3c2)c1 91757546 XKQZFKYALUNJSK-UHFFFAOYSA-N 364.423 2.618 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCCOc1ccccc1Cl)CC(=O)N2 91756165 KSBANDHUEWLEGC-AWEZNQCLSA-N 374.824 2.970 0 50 FFAA Cn1ccnc1C1CCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)CC1 92020175 CLAUYAZFOPMOLS-UHFFFAOYSA-N 351.410 2.536 0 50 FFAA COCCCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 95218020 RLUVMBLYZCNPKS-GOSISDBHSA-N 356.422 2.807 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C/C=C/c1ccccc1)CCO)C2 91830491 AJTCEBRABGKERR-MBNRZODZSA-N 367.445 2.781 0 50 FFAA O=C(c1ncoc1C1CC1)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 294648775 KSFVPTFZOREHIR-LLVKDONJSA-N 372.406 2.877 0 50 FFAA Cc1cc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)on1 95357377 XGJBHJGGYZYDMG-IOMROCGXSA-N 367.449 2.774 0 50 FFAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 91427199 JKPKVEJLMMSQTI-HNNXBMFYSA-N 366.465 2.769 0 50 FFAA Cc1cccn2c(CC(=O)N3CC[C@@H](Cc4ccc(CO)cc4)C3)cnc12 91644559 NERPOZCIVRWZBL-IBGZPJMESA-N 363.461 2.769 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(Cc3ccncc3)CC2)CC1=O 95384131 CRNJVRHKYVVOLA-UHFFFAOYSA-N 354.454 2.701 0 50 FFAA NC(=O)Cc1nc([C@H]2CCc3ccccc3O2)n(CCc2ccccc2)n1 96180328 PYAVRSHZHAFRAO-GOSISDBHSA-N 362.433 2.615 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@H](C)c1cn3ncsc3n1)n2C 91779858 SKZNMEIHGSADME-SNVBAGLBSA-N 355.423 2.782 0 50 FFAA O=C(O)c1cc(Cl)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1 181868011 BUKJEYSFZPVMAC-UHFFFAOYSA-N 360.801 2.683 0 50 FFAA COCC(=O)N1CCCN(C(=O)C2c3ccccc3-c3ccccc32)CC1 244852826 UZRDIMXIEIJBQO-UHFFFAOYSA-N 364.445 2.506 0 50 FFAA O=C(CCc1ccncc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244900276 ZZAGYWURLSMPQN-UEXGIBASSA-N 352.434 2.578 0 50 FFAA C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCCN(C2CCC2)C1 182769148 NKCIYWACFJWKMX-BVRUVYRISA-N 361.530 2.896 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3nnc(C)n3C3CC3)c2)n1 183425054 HRWCFQUMIIRMOU-UHFFFAOYSA-N 364.453 2.713 0 50 FFAA Cc1cc(O)c(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)cn1 253535388 WJRFAFNMYQMSBQ-NBQZKYEYSA-N 363.417 2.886 0 50 FFAA COc1cccc(-c2cn3c(C(=O)N4CCN(C)[C@H](C)C4)csc3n2)c1 59314038 KJGKPZJMEWREQX-CYBMUJFWSA-N 370.478 2.848 0 50 FFAA CC(C)c1nnsc1C(=O)NCCc1nc(Cc2ccccc2)no1 299787398 WOEYXBSYCNPZKO-UHFFFAOYSA-N 357.439 2.608 0 50 FFAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@@H](C)COC 299797418 NXHZZNGXWTWSER-LBPRGKRZSA-N 374.466 2.783 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)[C@@H]2CC(=O)OC23CCCC3)cn1 299793348 IQCNJNTXMDBBGN-INIZCTEOSA-N 353.422 2.673 0 50 FFAA CCCc1nnc(-c2cccc(C(=O)N[C@H](C)Cn3cncn3)c2)s1 584895904 YJZIQAPUERFXNB-GFCCVEGCSA-N 356.455 2.568 0 50 FFAA CCc1oc2ccccc2c1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952889043 QITAVRWQCXXZHZ-CZUORRHYSA-N 354.410 2.758 0 50 FFAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc4c(c3)CCC=C4)CC2)O1 952889195 YMVCKUBMOZPHRC-RBUKOAKNSA-N 354.450 2.531 0 50 FFAA Cc1nccn1Cc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 952976612 GSBTXQHPQQSIFI-UHFFFAOYSA-N 369.446 2.896 0 50 FFAA CN1CCN(C2(CN[C@H]3CCN(c4ccccc4)C3)CCCCC2)CC1 952964050 MUGRYDYZOZQFAN-FQEVSTJZSA-N 356.558 2.805 0 50 FFAA CN(C)[C@@H](C(=O)Nc1ccccc1CN1CCOCC1)c1ccccc1F 952978226 XCEIOGIJWKHEBL-HXUWFJFHSA-N 371.456 2.899 0 50 FFAA O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cn2c(n1)COCC2 888092901 OWCRUJBBPYUICK-CYBMUJFWSA-N 353.344 2.564 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@H]1CC=CC[C@H]1C(F)(F)F 888093011 XKZGCTNKNGWLCS-OLZOCXBDSA-N 368.359 2.608 0 50 FFAA CCC[C@H](NC(=O)[C@@H]1CCOC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1 888093302 SDLKNNIUWKTUTL-KGLIPLIRSA-N 357.410 2.799 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1cccc(OC(F)F)c1 1565510934 PEQQLIJWFBLOSQ-YVSFHVDLSA-N 366.408 2.660 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@@H]4CC[C@H]3CN(c3ncccn3)C4)cc2o1 1565516360 RLRDSGRNLUPDRA-ZBFHGGJFSA-N 363.421 2.667 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CC2 1565530990 GOFOQSBNZRRJDZ-MOPGFXCFSA-N 370.493 2.668 0 50 FFAA Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 269652874 DQLFIQRNIYYSOX-DLBZAZTESA-N 369.490 2.608 0 50 FFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c(O)nc3ccccc3c1C)CC2 170020935 QSJHKRPCJBOMOC-IAGOWNOFSA-N 370.449 2.641 0 50 FFAA CC(C)(C)N1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc21 190113944 JXYOJLBJZRRFOJ-INIZCTEOSA-N 365.543 2.783 0 50 FFAA CCN(c1cccc(O)c1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 190359706 XJXYZTULGQYCRO-CYBMUJFWSA-N 374.462 2.905 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@](C)(O)C1CCCCC1 190522998 SEYBPUZVDYCANL-GOSISDBHSA-N 360.483 2.970 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)N[C@@H]2COc3ccccc3C2)c1C 195146940 UCSYXCGDQUULIF-INIZCTEOSA-N 355.438 2.852 0 50 FFAA COc1cccc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529145459 JVEIRNFQDKASPB-NHCUHLMSSA-N 373.449 2.647 0 50 FFAA O=C(CN(Cc1ccncc1)C[C@H]1CCCO1)N1CCc2ccccc21 1529118508 LPPHGNBGMIGCCB-LJQANCHMSA-N 351.450 2.652 0 50 FFAA Cc1ccc2cc(CN3C[C@H](O)[C@H](Cc4cc(C)no4)C3)c(O)nc2c1 1529191259 VQEKSNYDPVGYFT-BEFAXECRSA-N 353.422 2.581 0 50 FFAA O=C1O[C@H]2CN(C3CCOCC3)C[C@H]2N1CCc1cccc(Cl)c1 214955628 ZMAMUOODXUYBEN-SJORKVTESA-N 350.846 2.567 0 50 FFAA COc1ccc(NC(C)(C)C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1704301367 WORIICLNZAXVSU-VQIMIIECSA-N 369.465 2.655 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cc(O)ccc3N)CC1)OCC2 1704336735 NVYSVEICOZPNMD-UHFFFAOYSA-N 368.433 2.687 0 50 FFAA Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1 12003752 ZSZWWUDOVFPDKN-CQSZACIVSA-N 372.446 2.868 0 50 FFAA O=C(Cc1cccnc1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12297150 BVHSCXLRPFGVKJ-IBGZPJMESA-N 359.429 2.695 0 50 FFAA CC(C)CSc1nnc(CCNC(=O)/C=C/c2cccs2)n1C 14986589 ZMMSMQACGZXDHS-VOTSOKGWSA-N 350.513 2.997 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)Nc3cccc4nsnc34)o2)no1 16447871 UTLNBMPTKQGITN-UHFFFAOYSA-N 374.407 2.769 0 50 FFAA Cc1cc(C)cc(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)c1 169760058 KOTWQQLUQAESOL-UHFFFAOYSA-N 350.422 2.630 0 50 FFAA NC(=O)c1cc(N2CCC3(CC2)C(=O)Nc2ccccc23)nc2ccccc12 1857668104 JNQRTQSMFGBATO-UHFFFAOYSA-N 372.428 2.824 0 50 FFAA Cc1n[nH]c(C)c1C(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857696893 PSKLFLVWBIJEEV-FQEVSTJZSA-N 367.453 2.520 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)c(C)cn1 1857713861 UYKOHWHIFGQKED-LTVCHDBBSA-N 367.449 2.705 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cnn2ccc(C)nc12 119050839 DOWDXVGHDFLBJT-HNNXBMFYSA-N 350.422 2.896 0 50 FFAA Cc1ccnc(CN2CCOC[C@@H]2c2c(C)nn(CC(F)(F)F)c2C)n1 329371202 IXRVFTOWXKNCQZ-CQSZACIVSA-N 369.391 2.734 0 50 FFAA CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCC1 333112138 XSVKGBVYWZEPBL-WCQYABFASA-N 362.278 2.933 0 50 FFAA O=C1NCCN(c2ncc(Br)cn2)[C@@H]1CC1CCCCC1 333853458 OCGWVMJNCSYISZ-CYBMUJFWSA-N 353.264 2.514 0 50 FFAA N[C@H]1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 237913853 YKEKLGRPXQHZNA-STQMWFEESA-N 360.483 2.589 0 50 FFAA COc1cccc([C@H]2CN(Cc3cccc(C)n3)C[C@@H]2C(=O)O)c1OC 247851690 AVDJHOSJOBMFOD-SJORKVTESA-N 356.422 2.707 0 50 FFAA Cc1cnc2c(S(=O)(=O)NCc3cn4c(n3)CCCC4)cccc2c1 263770927 JYIHRLYKBQOGIS-UHFFFAOYSA-N 356.451 2.555 0 50 FFAA O=C1CC[C@@H](NC(=O)c2cccc3c2CCOC3)[C@H](c2ccccc2)N1 822782274 WLPBWJUSYNDKJR-QUCCMNQESA-N 350.418 2.509 0 50 FFAA C[C@H](c1ccccc1)[C@H]1NC(=O)[C@H](Cc2ccc(C(F)F)cc2)NC1=O 2325787678 PJDKRKYMYFHRIS-OAUYIBNBSA-N 358.388 2.954 0 50 FFAA CCc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325811918 NIMRBEMNZAPRMO-HNNXBMFYSA-N 354.454 2.740 0 50 FFAA Cn1cncc1[C@H](O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 2325868756 JMVYLWIEYABAOV-RNCFNFMXSA-N 370.272 2.641 0 50 FFAA COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCOC[C@@H]1CF 2325874191 DCCPIMJIZUCQET-LBPRGKRZSA-N 352.793 2.950 0 50 FFAA CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 784755 UKNVGUMYYMRIIO-INIZCTEOSA-N 368.433 2.763 0 50 FFAA O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccs1 890409 DYLPNSGEFJSETM-CQSZACIVSA-N 352.209 2.923 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1F 2356137409 XEOQXBBSGILJAV-FQEVSTJZSA-N 360.429 2.523 0 50 FFAA CC(C)c1nc2ccccc2n1Cc1nc(C2CCOCC2)nn1CCO 2356153011 MWPVKJJYVZJPFY-UHFFFAOYSA-N 369.469 2.686 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2S(=O)(=O)c2ccccc2Cl)C1=O 2356165063 RIXISZDHNCJQJR-QGZVFWFLSA-N 370.902 2.894 0 50 FFAA COc1ccc(CCC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 4777393 PMMBJVDYDFYUKF-UHFFFAOYSA-N 368.433 2.739 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCCCC1 6703742 JKXMOQJVDGMQMX-UHFFFAOYSA-N 351.472 2.925 0 50 FFAA O=C1N=C(O)N=C(O)/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 9065667 PVYUMZHLKSPHRY-UHFFFAOYSA-N 366.329 2.758 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 9196664 PKSARECRRWDIKP-UHFFFAOYSA-N 361.442 2.586 0 50 FFAA CCCN1CCC(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)CC1 20455256 VNQFJRSHXRQEBM-QHCPKHFHSA-N 373.585 2.862 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3nccc4ccccc34)CC2)cs1 20600568 QFDFNMUFFRBFEV-UHFFFAOYSA-N 352.463 2.958 0 50 FFAA CCc1n[nH]c(C(=O)NCc2cccnc2-n2cnc3ccccc32)c1C 67772198 SNSYINWFGJYTSQ-UHFFFAOYSA-N 360.421 2.944 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](Cn3cc(C4CC4)nn3)C2)n(C)n1 63833836 WGNPMJGCJGNXJV-OAHLLOKOSA-N 370.501 2.640 0 50 FFAA O=C1CC[C@H](CC(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)N1 67934440 ZPIWWPBZGMZHRL-MRXNPFEDSA-N 370.428 2.591 0 50 FFAA C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(C2CC2)nc2ccccc12 121305168 BICIMMBOWISVRO-STQMWFEESA-N 358.463 2.760 0 50 FFAA COCC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 77387414 VFLRKLJMYNNQDM-GOSISDBHSA-N 362.445 2.764 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)NCc1nc2ccccc2s1 363207685 INJXVGDYGDXCID-UHFFFAOYSA-N 364.434 2.876 0 50 FFAA CN1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C1 363421743 DRYBPNYBOCEUIT-LLVKDONJSA-N 362.326 2.907 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)NC[C@H]1OCCc2ccccc21 219649271 WZIBXKGWURBLCE-GOSISDBHSA-N 369.396 2.649 0 50 FFAA COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@H](N)C[C@@H]1C 237105654 LJMGLHFBKLKNOY-LEONLPTOSA-N 353.260 2.809 0 50 FFAA C[C@H](CN(Cc1ccccc1)C(=O)Cc1n[nH]c2ccccc12)C(=O)O 237398855 YUHBKYAGKHMIJT-CQSZACIVSA-N 351.406 2.855 0 50 FFAA C[C@H](C1CCN(Cc2ccc(O)cc2Cl)CC1)N1CCN(C)CC1 77355661 XHCXFSVJFNJSSZ-OAHLLOKOSA-N 351.922 2.894 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCCn2nc([C@@H](C)O)cc2C1 219758111 JPDRNTUOEUHNFQ-CYBMUJFWSA-N 370.428 2.840 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CC[C@](C)(C(=O)O)C1 237825569 JJKDXGUXRIGTSF-XTXLJPNXSA-N 353.422 2.826 0 50 FFAA O=c1oc2ccccc2n1CCN1CCC2(CC1)c1ccccc1C[C@@H]2O 72152667 OGJXBBNZRZRAIV-FQEVSTJZSA-N 364.445 2.545 0 50 FFAA Cc1nc(C)c(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)c(=O)[nH]1 72422186 OQJOPMZOLSVMDJ-UHFFFAOYSA-N 368.462 2.711 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)NC2CCN(c3ccccc3OC)CC2)C1 174458564 ROFWLWWHHYPIRP-GOSISDBHSA-N 374.529 2.790 0 50 FFAA C[C@H](C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1)c1cccs1 285741842 YXHPPQJCGUGSNN-WDEREUQCSA-N 374.388 2.606 0 50 FFAA Cc1nc(NCC2(c3ccccc3)CCOCC2)cc([C@H]2CCOC2)n1 426723836 GWRKYNSWOUJKSV-KRWDZBQOSA-N 353.466 3.449 0 50 FFAA O=C(c1cccs1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221640641 HOWMLQJWVXDROB-UHFFFAOYSA-N 354.435 2.642 0 50 FFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)NCc1nc2ccccc2o1 426387357 XQEFCYSJDJFOPB-AWEZNQCLSA-N 370.453 2.760 0 50 FFAA O=C(NCc1cccc(C(F)(F)F)c1F)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426658366 MCNIYWCIANWVHS-WVKUQDAKSA-N 357.351 2.736 0 50 FFAA O=C(CCN1CCCCCC1=O)NC[C@@H]1CCN(c2ccccc2F)C1 223258557 AKOKIWPIVQIITF-INIZCTEOSA-N 361.461 2.561 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc2c(c1)CCO2 426531590 LMTMNLOPHGIFAH-MRXNPFEDSA-N 354.406 2.603 0 50 FFAA Cc1cc2cc(C(=O)N[C@@H]3CCN(Cc4cscn4)C[C@H]3O)ccc2o1 426673988 FSTBOKXGCPXEDB-IAGOWNOFSA-N 371.462 2.563 0 50 FFAA Cc1nnc(CCNC(=O)CO[C@@H](c2ccccc2)C(F)(F)F)s1 426549894 IFNHXRPGYGSFHT-AWEZNQCLSA-N 359.373 2.825 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NC2(C(N)=O)CCCCCC2)c1 97819662 ODDNBXAOYDXHGF-UHFFFAOYSA-N 364.421 2.874 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1ccc(-n2cccn2)cc1 96139145 DOSWCUCVWCBMER-IBGZPJMESA-N 351.406 2.774 0 50 FFAA O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccc(Cl)cc2)CC1 91779805 WFWCQIMBJDWGGN-ZDUSSCGKSA-N 362.857 2.721 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 91781754 GQXZHJUUQCQFJG-QGZVFWFLSA-N 362.437 2.778 0 50 FFAA Cc1nc(CN2CCN(c3nccc(-c4ccncc4)n3)CC2)cs1 96152144 UKMPFFRROULXBS-UHFFFAOYSA-N 352.467 2.626 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCCc1noc(C3CCCC3)n1)CO2 91746265 ZCFLGFNIDVTUGB-OAHLLOKOSA-N 371.437 2.646 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)CCn1c(C)nc3ccccc31)CC2 95370770 QLQRHJIIQHJHMW-LJQANCHMSA-N 371.481 2.921 0 50 FFAA Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc(O)n1 179879751 XVGIGTCITFDEEI-UHFFFAOYSA-N 363.820 2.846 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 92019550 UMSKZAWYHOKQGQ-VQTJNVASSA-N 365.477 2.843 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C/C=C/c1ccccc1)CCO)C2 91830494 AJTCEBRABGKERR-AIADIJKESA-N 367.445 2.781 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 95392113 DNFOSPLEOBQVGO-GOSISDBHSA-N 362.518 2.709 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccc(-c2nc[nH]n2)cc1 91410913 OMXGXYSGJLKVGG-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1cccc(C)c1C)CCN2C 95371342 VHKJENPFGSAHCZ-NRFANRHFSA-N 372.513 2.854 0 50 FFAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 299712249 UHBMKVNXWBYTFQ-IHPCNDPISA-N 371.525 2.786 0 50 FFAA O=C(N[C@H]1CCc2ccccc2C1)N1CCN(c2ccc(O)cc2)CC1 534658206 VIBHLZSOPGOAJY-SFHVURJKSA-N 351.450 2.781 0 50 FFAA CCCn1nc(C)c(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1C 534592676 RIXOSFXSQDLOQU-UHFFFAOYSA-N 371.441 2.587 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cccc(-c2cc(N)ncn2)c1 299795089 JRNJKSOSKIKPCJ-QGZVFWFLSA-N 364.453 2.767 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc3[nH]nnc3c2)cc1 299785076 QITYPHABAKWFNI-UHFFFAOYSA-N 352.442 2.862 0 50 FFAA O=C(Nc1ccc2[nH]c(=O)oc2c1)N1CCC[C@H](OCc2ccccn2)C1 299765838 YKIRIVRBVUVBMH-HNNXBMFYSA-N 368.393 2.729 0 50 FFAA O=C(N[C@@H]1CCNC1=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2F)cc1 584897099 AZTCPOHLVOWUQM-GOSISDBHSA-N 366.392 2.704 0 50 FFAA O=C(N[C@@H]1[C@H]2CC[C@@H]1C[C@H](CO)C2)c1sc(N2CCCC2)nc1Cl 1875321672 QVVZQPHJCNTONE-WNGYAQOMSA-N 369.918 2.924 0 50 FFAA CCn1nc2c(c1C(=O)N1CCOc3ccccc3C1)C[C@H](C)O[C@@H]2C 1875314414 WSYMOJGKVWHTEH-UONOGXRCSA-N 355.438 2.960 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1Cc2cc(Br)ccc2[C@H](C)C1 1875371865 OBNZYBHOFRLCHF-GFCCVEGCSA-N 365.271 2.929 0 50 FFAA Cn1cccc1CN[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875399482 XPYCSNQRZNSRLM-PWIZWCRZSA-N 350.466 2.818 0 50 FFAA Cc1ncoc1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)CC1C(C)(C)C1(C)C)C2 1875406676 JUXNJNKQVNKRIX-KBPBESRZSA-N 359.470 2.871 0 50 FFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2cnc3c(c2)CCC3)C1(C)C 1076018059 FWYQYEMLFLYWAS-HRAATJIYSA-N 357.498 2.765 0 50 FFAA COC[C@@H]1CCCN1S(=O)(=O)N(Cc1cccc(SC)c1)C(C)C 952980632 QPYVJWXXKCPGMO-INIZCTEOSA-N 372.556 2.975 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nc(N)c3ccccc3n2)C1 888102938 WCKUEHJGRNKANB-CJNGLKHVSA-N 352.442 2.514 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccn1C)C(=O)Nc1ccsc1 275586653 FYKWAFIIZBDZGZ-JSGCOSHPSA-N 351.451 2.558 0 50 FFAA Cc1ccc(-c2cc(N3CCOCC3)nc(N)n2)c(-n2nc(C)cc2C)c1 1506397669 FRVQPNIQQDOWON-UHFFFAOYSA-N 364.453 2.673 0 50 FFAA CCN(CC)[C@H]1CCN(c2noc(-c3ccc(OC)cc3)c2C(=O)O)C1 1704307021 QPRGNBGLMLUZFC-AWEZNQCLSA-N 359.426 2.969 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1cn(CC2CCCCC2)nn1 11818276 BWXSFHHKFICOJD-INIZCTEOSA-N 370.453 2.770 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)n[nH]1 11935631 WLHBTFNVVYACOJ-FQEVSTJZSA-N 358.486 2.753 0 50 FFAA CCOCCCNC(=O)c1cc(-c2cc(C)cs2)cc(-n2cnnn2)c1 12054104 DMHPYPNFJQDFPD-UHFFFAOYSA-N 371.466 2.856 0 50 FFAA CC(C)N(Cc1nccn1C)C(=O)c1cc(COc2ccccc2F)[nH]n1 12300877 WGXBGYKETNBCQA-UHFFFAOYSA-N 371.416 2.912 0 50 FFAA CN(CC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1)Cc1cccnc1 12320267 PYCZTHYWSOTYPJ-LJQANCHMSA-N 358.530 2.817 0 50 FFAA CN(CC1CCOCC1)c1nc2nonc2nc1NCc1cccs1 12441336 VVLSZQBOMRIBQU-UHFFFAOYSA-N 360.443 2.549 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCO[C@H](Cc2ccccc2Cl)C1 14960139 ZHGPXZUKMYKQDV-GOSISDBHSA-N 366.933 2.942 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2cnc(C)cn2)co1 15062451 CAEFTTQDYVKZEQ-UHFFFAOYSA-N 368.393 2.599 0 50 FFAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cncc(OC(C)C)c2)o1 1857529524 NKXUKLJUPYXTBL-LIRRHRJNSA-N 372.425 2.550 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)O1 1857671852 TZKVQDZDZOKSGK-OLZOCXBDSA-N 356.850 2.572 0 50 FFAA CC[C@@]12COC(=O)N1CCN(S(=O)(=O)c1c(C)c(C)cc(C)c1C)C2 1857677794 DMXFPHNXZGNLAC-GOSISDBHSA-N 366.483 2.526 0 50 FFAA CCCn1cc(-n2ccnc2-c2cnc(NC[C@H]3CCCO3)nc2)cn1 1857684724 ANVQEYRYWLSDIX-MRXNPFEDSA-N 353.430 2.527 0 50 FFAA O=C(c1cc2sccc2[nH]1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210188198 FGKCBJBWPLUVKL-DOMZBBRYSA-N 370.430 2.949 0 50 FFAA CCN1CCC[C@@H](CN(C)CCCn2ccnc2C)[C@@H]1c1cnn(C)c1 328625107 CSZKPQOSAHOEKF-AZUAARDMSA-N 358.534 2.720 0 50 FFAA C[C@H]1OCC[C@@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 331709956 BRGQRPNBUDJIFK-SKDRFNHKSA-N 366.215 2.540 0 50 FFAA O=C1CCCc2occ(C(=O)NCc3ccnc(N4CCCCC4)c3)c2N1 1875278270 MRILBWBPKJFTMS-UHFFFAOYSA-N 368.437 2.870 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2c(OC)ccc3ccccc23)CN1C(C)C 23159147 ZLONSOWARVOLKD-PXNSSMCTSA-N 369.509 2.925 0 50 FFAA C[C@H](c1ccccn1)N1CCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 155811281 HQGCMLGYLHHUSV-MRXNPFEDSA-N 361.449 2.991 0 50 FFAA O=C(c1cc(Cl)cc(N2CCCC2=O)c1)N1CCC(n2ccnn2)CC1 2325806449 VQCJJCUZLQSLQL-UHFFFAOYSA-N 373.844 2.536 0 50 FFAA Fc1ccc(O[C@@H](c2ccccc2)c2nc(N3CCNCC3)no2)cc1F 2325857218 TVBWJTZSYKBRMT-KRWDZBQOSA-N 372.375 2.926 0 50 FFAA Cc1cccc(CN2CCC[C@@H]2CNC(=O)c2nc(C)[nH]c3nccc2-3)c1 2325857241 UTDGKYNFMGILJZ-QGZVFWFLSA-N 363.465 2.921 0 50 FFAA C[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2o1)c1ccc2c(c1)OCO2 884064295 CEIUSJWKUGBTBD-BLLLJJGKSA-N 352.390 2.909 0 50 FFAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)NC1C2CC3CC(C2)CC1C3 756545 XVQNUJFDZHBWQU-VECSYPARSA-N 352.478 2.943 0 50 FFAA O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(F)cc2)CC1 908909 GKNQZPYYWXKKRQ-UHFFFAOYSA-N 371.437 2.885 0 50 FFAA Cc1cc(Br)cc2c1NC(=O)[C@@]2(O)CC(=O)c1ccco1 1124598 KGXSTZZCBMWXET-OAHLLOKOSA-N 350.168 2.763 0 50 FFAA COc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1 1139065 RKKSOZGIXGHGCG-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1C 4868940 GPXMOHDLLTVOSV-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA COC(=O)c1ccc(O)c(NC(=O)CSc2nccn2C(C)(C)C)c1 225737751 DDWOERVEKOCCHV-UHFFFAOYSA-N 363.439 2.861 0 50 FFAA N=c1n(CCCOc2ccccc2Cl)c2ccccc2n1CC(N)=O 20069508 JOBHEINZYDEZHJ-UHFFFAOYSA-N 358.829 2.530 0 50 FFAA C[C@@H](Sc1n[nH]c(-c2ccccn2)n1)c1nc2ccccc2c(=O)[nH]1 117114222 PISPKNZUGSNSCW-SNVBAGLBSA-N 350.407 2.957 0 50 FFAA O=C(NC[C@@H]1CCOC1)c1cc(COc2cccc3cnccc23)on1 67871641 KETMZUBIJIYMPK-ZDUSSCGKSA-N 353.378 2.568 0 50 FFAA CN(C)C1(CNc2ncc3c(n2)CCN3c2ccccc2)CCOCC1 65496718 HGFQAGAHHMQEBH-UHFFFAOYSA-N 353.470 2.694 0 50 FFAA COc1cc(-c2nc(CN(C)CC(C)(C)CO)c(C)o2)cc2c1OCO2 67695989 ZHXHIRDSQUBWCI-UHFFFAOYSA-N 362.426 2.838 0 50 FFAA Cc1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1 67800045 KCNCHSQFLMLRSZ-UHFFFAOYSA-N 371.280 2.501 0 50 FFAA COC(=O)Nc1ccc(C(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1 252492523 MOMIEDRGJUMSKH-FQEVSTJZSA-N 356.422 2.836 0 50 FFAA Cc1ccc(CONC(=O)c2cc3ncc(Br)cn3n2)cc1 2791864 JHIDVXGCJPATMY-UHFFFAOYSA-N 361.199 2.662 0 50 FFAA CCN(C)S(=O)(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71440349 FXZBEZHUENBPRN-ZDUSSCGKSA-N 353.271 2.563 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3ccccn3)C2)CN1Cc1ccccn1 72410568 HAZODLSHBWMXLL-NRFANRHFSA-N 364.449 2.522 0 50 FFAA CC[C@H]1CN(Cc2ccc(OCc3noc(C)n3)cc2)C[C@@]2(CCOC2)O1 329982763 AOWVGIRTHSGSKC-FXAWDEMLSA-N 373.453 2.727 0 50 FFAA Cc1ccc(C(C)(C)NC(=O)CC[C@]2(CCC(=O)O)CCC(=O)N2)cc1 219263716 QNLZWOKKPMHHPK-HXUWFJFHSA-N 360.454 2.640 0 50 FFAA C[C@H](C(=O)N1CCCCC1)N1CCCN(C(=O)CCc2ccccc2)CC1 156658264 PBUJLYXLGTZSFU-LJQANCHMSA-N 371.525 2.555 0 50 FFAA COc1cc(CNCC2(O)CCOCC2)ccc1OCc1cccs1 237134193 WLCJXVFVGXZYRJ-UHFFFAOYSA-N 363.479 2.967 0 50 FFAA CC(C)c1nc(C(=O)N2CCCC[C@H]2C(=O)O)nn1-c1ccccc1F 128630925 NSBJJUAUUJUWJI-AWEZNQCLSA-N 360.389 2.609 0 50 FFAA O=C(NC[C@H]1CCCNC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 333882534 WMPXBLAUZPUYGU-LRDDRELGSA-N 355.841 2.562 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCN1C(=O)CCc2ccccc21 237981422 RMNXSSJQVUYMKU-MRXNPFEDSA-N 358.438 2.602 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3ncnc4ccsc34)C2)o1 375873596 IUJJXOREUDVUSA-ZDUSSCGKSA-N 371.466 2.869 0 50 FFAA COCCC[C@H]1CCCCN1S(=O)(=O)c1ccc(-n2cccn2)cc1 77428995 SSRDTDCWSCPTDC-QGZVFWFLSA-N 363.483 2.842 0 50 FFAA CNS(=O)(=O)c1ccc(CN2CCO[C@H](CC3CCCCC3)C2)cc1 71712066 IXQGBTFCIHIGTO-GOSISDBHSA-N 366.527 2.766 0 50 FFAA COc1cccc(C(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1 48194390 BYXPXHRNBDTUBE-UHFFFAOYSA-N 363.421 2.826 0 50 FFAA COc1ccc(-n2ccnc2CN2CCOc3ccc(CO)cc3C2)cc1 216367401 VJAFTVDUHHHJTG-UHFFFAOYSA-N 365.433 2.768 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(C)(C)C)cc1 45419180 LHUZZGYZEQZOAT-HOCLYGCPSA-N 366.527 2.833 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@H](c3ccccc3)[C@H]1C)C2=O 175754243 QBSRXQUBZRMWMZ-WBVHZDCISA-N 362.429 2.996 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2cc(OC)ccc2OC)cc1 426552146 XFWNYOHHVMCQIB-CQSZACIVSA-N 370.449 2.967 0 50 FFAA Cc1cccc([C@H](NC(=O)N2CCN(Cc3cccs3)CC2)C(=O)O)c1 426475325 CCRZKZKSYMDKEH-KRWDZBQOSA-N 373.478 2.710 0 50 FFAA CN(C)C(=O)NCc1cc2n(n1)CCCN(Cc1ccc3occc3c1)C2 82091947 PZZBZZYUHDEATP-UHFFFAOYSA-N 367.453 2.806 0 50 FFAA CC(C)c1nnc2n1C[C@H](NC(=O)c1c(Cl)cncc1Cl)CC2 293292405 DICJQFRSGVZEIP-SECBINFHSA-N 354.241 2.848 0 50 FFAA COCc1cc(CNC(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)n[nH]1 96164375 RMTUBLCEZURZNB-UHFFFAOYSA-N 368.441 2.739 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCC1 91713406 YRCPGVWUOVDIIQ-HXUWFJFHSA-N 367.537 2.563 0 50 FFAA CC(C)n1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cn1 95382945 ZZAFUWFLHJIBLV-GOSISDBHSA-N 366.465 2.743 0 50 FFAA CCn1cc(NC(=O)N(CCCn2ccnc2)Cc2cccnc2)cn1 97480380 ZMWLMWPQVWCNMO-UHFFFAOYSA-N 353.430 2.619 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 95518940 POXNHDPIGPIIRW-CYBMUJFWSA-N 356.348 2.911 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)OC1=O 244874906 XJKAHCCBFGPOKJ-OAGGEKHMSA-N 352.475 2.540 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccccc2C(F)(F)F)C1 181725664 DKJJDYUHZIXODF-IUODEOHRSA-N 371.403 2.947 0 50 FFAA CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](CN)C1 299739668 RFGFPVNTRPKHEJ-SWLSCSKDSA-N 355.276 2.660 0 50 FFAA Cc1cc2cccc(C(=O)N3CC[C@@H](O)[C@](CC4CC4)(C(=O)O)C3)c2o1 1940195388 ABGSZHOUBSNLKQ-OXQOHEQNSA-N 357.406 2.819 0 50 FFAA C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2c(s1)CCCC2 299760279 IRYAMKYWFOVENZ-LBPRGKRZSA-N 368.462 2.609 0 50 FFAA Cc1c(CNC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cnn1C 299794671 MJBPZSUYJVGXKJ-GOSISDBHSA-N 358.442 2.998 0 50 FFAA Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)NCCN1CCCOC1=O 299780902 AHCCIYSMQPULRJ-HNNXBMFYSA-N 355.438 2.855 0 50 FFAA COc1ccc(Cl)cc1-c1cccc(C(=O)NCCN2CCNC2=O)c1 299772497 ZVTINRIMPYUWJH-UHFFFAOYSA-N 373.840 2.771 0 50 FFAA COc1ccccc1OCc1n[nH]c(CCN2Cc3ccccc3C2=O)n1 824827521 FPPIGQRCUNYYFD-UHFFFAOYSA-N 364.405 2.591 0 50 FFAA c1cn2nc(N3CCN(Cc4ccc(-c5cc[nH]n5)s4)CC3)ccc2n1 829065038 MRTOBRBSGHAPMB-UHFFFAOYSA-N 365.466 2.503 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)N(C)Cc1nc2cc(C)c(C)cc2[nH]1 584884346 YYVSBELLGSNQDZ-ZDUSSCGKSA-N 355.446 2.694 0 50 FFAA C[C@@H]1Cc2cc(CNC(=O)N3CCOc4ccc(CO)cc4C3)ccc2O1 584889334 CLZMDBDUUNHBLJ-CQSZACIVSA-N 368.433 2.607 0 50 FFAA C[C@@H]1CNC(=O)CCN1C(=O)c1ccc(-c2ccc3oc(O)nc3c2)cc1 584890946 PCYBFUDHNBTJFQ-GFCCVEGCSA-N 365.389 2.551 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCCc2noc(C3CCCC3)n2)C1 584895305 ADNOHBRYNHPSEQ-HNNXBMFYSA-N 350.463 2.870 0 50 FFAA CC(C)Oc1ccccc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 240886169 INMLJQADOSQOIC-IRXDYDNUSA-N 364.486 2.791 0 50 FFAA Cn1c(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)cc2ccccc21 952890403 STQZEPIEEITQHN-HNNXBMFYSA-N 352.394 2.967 0 50 FFAA Cc1ncccc1CC(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848083 AQSAEGRHAMQVET-SJORKVTESA-N 353.470 2.826 0 50 FFAA Cc1oc(CN(C)C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1C(=O)O 268944384 VHWZGMNFQCZURJ-CVEARBPZSA-N 371.389 2.820 0 50 FFAA O=C(NCC[C@@H]1CCCS1(=O)=O)Nc1nc2c(F)cccc2s1 1875277673 XVLGGQQSPRGCOK-VIFPVBQESA-N 357.432 2.524 0 50 FFAA N[C@H]1CC[C@H](C(=O)NCc2cc3c(nc2O)CCCC3)c2ccccc21 1875287804 ZZERVWAQHHWAPO-ROUUACIJSA-N 351.450 2.860 0 50 FFAA COCc1cccc(OCC2(Cn3nc(-c4cccnc4)oc3=O)CC2)c1 1875292184 ZNDWPOHELATUFQ-UHFFFAOYSA-N 367.405 2.904 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1)n1cccn1 952976295 VGCNZUCGAOAUEX-SFHVURJKSA-N 369.469 2.897 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)Cc2cc(F)cc(F)c2)c1C 952963630 LEDAHWSIPABCQF-UHFFFAOYSA-N 362.376 2.831 0 50 FFAA CN(CC(=O)Nc1ccc2nnc(C3CCC3)n2c1)C(=O)c1cccs1 187252712 HTIYZVMTDHNTHY-UHFFFAOYSA-N 369.450 2.769 0 50 FFAA O=C(NCC1CCN(Cc2ccccc2)CC1)c1ccnn1CC(F)F 278959212 DSQLWXKYBWTRTJ-UHFFFAOYSA-N 362.424 2.790 0 50 FFAA C[C@@H](Cc1ccccc1F)NC(=O)Cc1cccc(N2CCOCC2)c1 170607949 QJMZTGIVKSNLLD-INIZCTEOSA-N 356.441 2.952 0 50 FFAA CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1cc(C)cc(C)c1 195197550 GQDPBPPIUNOWFQ-UHFFFAOYSA-N 356.451 2.951 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 195229288 IDCAOEVWTBNMHL-HNNXBMFYSA-N 363.483 2.880 0 50 FFAA Cc1c(NC(=O)c2cc(-c3ccccc3)n(C)n2)c(N2CCCC2)nn1C 1529196427 AACZQYRYRBYKQO-UHFFFAOYSA-N 364.453 2.982 0 50 FFAA Cc1cc(CC(=O)N2CCCN(C/C=C/c3ccc(F)cc3)CC2)on1 1775983777 BNSMHQGCGNJXLI-DUXPYHPUSA-N 357.429 2.912 0 50 FFAA O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3cccs3)nnc2s1 5349050 DELVAAIAHCDTBY-UHFFFAOYSA-N 367.415 2.711 0 50 FFAA CCCCn1c(CN2CCCC[C@H]2CCCO)cnc1S(=O)(=O)CC 11664820 GHHCGYYHJRLYLR-INIZCTEOSA-N 371.547 2.604 0 50 FFAA CCc1ccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)o1 12715040 XNMZWATUBDVBFE-MRXNPFEDSA-N 359.514 2.797 0 50 FFAA Cc1c(C(=O)NC[C@H](C)O)sc2ncnc(NCCc3ccccc3)c12 14999920 YTANTTDXWILNCD-LBPRGKRZSA-N 370.478 2.765 0 50 FFAA COc1cccc(CN2CCC[C@@H](NCc3cnc(N(C)C)s3)C2)c1 19224112 FUXFEPAHGNHHGA-MRXNPFEDSA-N 360.527 2.972 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 1857680572 KZVAIORXRYRYLR-IBGZPJMESA-N 365.477 2.714 0 50 FFAA CN(C)CCCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695892 CRHZASNQRJQRON-CYBMUJFWSA-N 364.877 2.766 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCc2ccc(O)nn2)C[C@@H](c2ccccc2)O1 1875245407 YIDFBGHPOWZASX-MSOLQXFVSA-N 355.438 2.740 0 50 FFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 237299013 ZXGMYVDDVKWJBH-VXGBXAGGSA-N 373.266 2.814 0 50 FFAA COc1ccc(CCNC(=O)c2cnc(O)c3ccccc23)cc1OC 242389544 ZYEWWSWZFTZABG-UHFFFAOYSA-N 352.390 2.930 0 50 FFAA CCc1ccc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)nc1 253606491 OXNRAHFXCBQSPV-SJORKVTESA-N 354.406 2.673 0 50 FFAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ncoc1COCC(=O)O 901790466 XRQJRKUWRUBCIX-UHFFFAOYSA-N 372.299 2.567 0 50 FFAA CN1CCc2ccc(C(=O)N3CCCN(Cc4ccccc4F)CC3)nc21 2100478087 QHZLITDRMQACMU-UHFFFAOYSA-N 368.456 2.561 0 50 FFAA Cc1cccn2c(NC(=O)c3csc(C[C@H]4CCCNC4)n3)cnc12 2325780172 MCSWBLLDYBAQGE-CYBMUJFWSA-N 355.467 2.894 0 50 FFAA Cc1ccc(Cl)c(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 2325818885 COIQPNCVTWRBJF-UHFFFAOYSA-N 364.810 2.627 0 50 FFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C1=NC[C@@H](c2ccc(CO)cc2)N1 2325863669 RWCAJSFSBBGZAF-FQEVSTJZSA-N 361.449 2.701 0 50 FFAA Cc1ccc(C(=O)N2CC(N(C)C(=O)c3ccc(O)c(C)c3)C2)cc1C 2325878396 NYVCOKNQDVKPMH-UHFFFAOYSA-N 352.434 2.914 0 50 FFAA CC(C)CCNS(=O)(=O)c1ccc(OCc2cc(Cl)n(C)n2)cc1 863315966 IRQJGECSOCUAKL-UHFFFAOYSA-N 371.890 2.977 0 50 FFAA O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccc2cccnc12 635242 CQPNXIHYLVYZLV-UHFFFAOYSA-N 369.446 2.872 0 50 FFAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 1078121 KQFKXWHBIGRMHF-NRFANRHFSA-N 369.417 2.921 0 50 FFAA COCCN1CCC[C@]2(CCCN2CCOc2ccc(Cl)cc2)C1=O 2356155154 ZKPZUVSHDHLLOS-IBGZPJMESA-N 366.889 2.822 0 50 FFAA O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 4158605 SQWOTGDXXGRDLO-JKSUJKDBSA-N 362.838 2.952 0 50 FFAA O=C(CCc1nnc(-c2ccsc2)o1)N(CCO)Cc1cccs1 20684355 FYDIOTFUVNWCSR-UHFFFAOYSA-N 363.464 2.813 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCC[C@H]1COc1ccccc1 112933500 GJMGZLHRQZARSN-INIZCTEOSA-N 352.434 2.937 0 50 FFAA COc1cccc(CN2CCN(Cc3cccc(F)c3)C[C@H]2CCO)c1 104523365 NJMOBYINFGFDGU-HXUWFJFHSA-N 358.457 2.903 0 50 FFAA CC(C)N1CCCn2nc(C(=O)N[C@H](C)c3cn4ccsc4n3)cc2C1 65405924 VNUYZXGLULHRNA-CYBMUJFWSA-N 372.498 2.697 0 50 FFAA CC[C@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nnn[nH]1 65456763 RVPWKBHIGXSVBA-HNNXBMFYSA-N 352.398 2.705 0 50 FFAA CN(C[C@H]1CCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1 67713743 OAXDEWDQBWBSTN-LLVKDONJSA-N 352.337 2.783 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CCCC[C@H]2c2nccs2)cc1 65397085 UTMPDDGCMCXDTF-KRWDZBQOSA-N 372.494 2.945 0 50 FFAA CCCSc1ncc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)cn1 65393876 NPNJWYGLMRPHAA-NSHDSACASA-N 363.512 2.653 0 50 FFAA O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc(C2CC2)[nH]n1 172146849 ISYNOIXHIAUOBB-UHFFFAOYSA-N 357.801 2.963 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cn1 67676364 XFRANIYNJDRJSM-CQSZACIVSA-N 351.410 2.624 0 50 FFAA CN1CCN(CCCNC(=O)CCc2cncs2)[C@H](c2ccccc2)C1 432501606 QIQNVYCVWIAEBX-IBGZPJMESA-N 372.538 2.571 0 50 FFAA CC(C)N1CCC(N2CCC[C@@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 12473540 UWKCEHJBKLQWKC-LJQANCHMSA-N 373.541 2.636 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2csc(CN(C)C)n2)[C@@H](C)C1 72433063 XSZYOHLXCJAVNL-AWEZNQCLSA-N 374.510 2.564 0 50 FFAA CCn1ccnc1CN(Cc1ccc2c[nH]nc2c1)[C@H]1CC12CCNCC2 328626671 FINCZQZRKMCOQK-IBGZPJMESA-N 364.497 2.924 0 50 FFAA Cc1ccc(CC(=O)N2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cc1 328655013 XYFAXUJELIYWIP-GOSISDBHSA-N 356.470 2.742 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCN(Cc2cccc(F)c2)CC1 72447399 DCWHQYZXJBYQPM-UHFFFAOYSA-N 362.426 2.616 0 50 FFAA Cc1sc2nc(CN3CC(C)(C)O[C@]4(CCOC4)C3)nc(O)c2c1C 369539853 GWECMFCMJXUSNE-GOSISDBHSA-N 363.483 2.784 0 50 FFAA CCCN1CC[C@H]2N(C(=O)c3cc(C)n(CC)c3C)CCC[C@]2(CO)C1 72149647 YUSNOOLEDBMCEY-TZIWHRDSSA-N 361.530 2.824 0 50 FFAA Cc1sc2nc(CSCC(=O)NCc3ccccn3)[nH]c(=O)c2c1C 36354686 XAVTYFWDRXTWQY-UHFFFAOYSA-N 374.491 2.546 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O 72476256 PBNBFDJKFZVZSV-ZDUSSCGKSA-N 360.458 2.514 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2c1 77471602 QBUSAXXDLVSBKT-UHFFFAOYSA-N 362.433 2.664 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)CCN(C)[C@@H]3CCN(C)C3)cc2c1C 71745331 FZBWHHPYFCZTMI-QGZVFWFLSA-N 356.514 2.681 0 50 FFAA CC(C)CCC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72436098 ARRYHVNDPKTLNT-KRWDZBQOSA-N 361.534 2.943 0 50 FFAA CCC1(CNC(=O)Cc2cnn(C)c2)CCN(Cc2ccccc2)CC1 378261314 PERMGBAENQWGBG-UHFFFAOYSA-N 354.498 2.771 0 50 FFAA C[C@H]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC12CCCCC2 332879790 MWHVXVHGGQNTDT-HOTGVXAUSA-N 356.532 2.813 0 50 FFAA CC(C)Cn1cncc1CNc1nc(-c2ccncc2)nc2c1cnn2C 72409219 NPCMAYPIHJOIQM-UHFFFAOYSA-N 362.441 2.890 0 50 FFAA Cc1ccc(N2CCCC2=O)c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 174306092 YEAUZBJTJWSFKJ-OAHLLOKOSA-N 352.438 2.865 0 50 FFAA Cc1cc(C)c(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)c1 128311703 OVWPJVJPMIRUFK-LUKYLMHMSA-N 367.449 2.540 0 50 FFAA C[C@@H](NCc1cncn1C)c1cc2c(cc1Br)OCCO2 237364699 HDOHRYPBLBOYEI-SNVBAGLBSA-N 352.232 2.805 0 50 FFAA Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCC[C@@H](C(=O)O)C1 128510890 KAPFZQFGXWMJLW-CQSZACIVSA-N 361.829 2.830 0 50 FFAA Cc1nc(N2CCCN(CCCc3ccccc3)CC2)c2cnn(C)c2n1 72166975 AHFMTIKYMVZEOT-UHFFFAOYSA-N 364.497 2.817 0 50 FFAA Cc1ccc(OCc2cccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4)c2)cn1 129231896 DUEGSBZCBLUUKG-DFNIBXOVSA-N 351.450 2.982 0 50 FFAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cn(C2CCNCC2)nn1 238014942 UIEYNZRFHGQUAX-UHFFFAOYSA-N 357.502 2.539 0 50 FFAA CN(c1ccc(C(F)(F)F)nn1)S(=O)(=O)c1ccc2c(c1)CCC2 225743619 KZKHGAGTYMAYOT-UHFFFAOYSA-N 357.357 2.809 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C(C)C)nn2)c1 426627874 XVQVLVLTCHMMKP-PMACEKPBSA-N 368.481 2.716 0 50 FFAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCC[C@H](OCc2ccccn2)C1 426661897 BBYMUMVSBFSVKU-KRWDZBQOSA-N 355.442 2.573 0 50 FFAA O=C(NCCc1ccccn1)N1CCCN(C2Cc3ccccc3C2)CC1 426690378 ZCFBVQFUNZTVMV-UHFFFAOYSA-N 364.493 2.509 0 50 FFAA CCN1C[C@H](CNC(=O)N(C)Cc2csc(-c3ccccc3)n2)CC1=O 426518188 DAAGPDWLGBQYND-AWEZNQCLSA-N 372.494 2.820 0 50 FFAA Clc1ccccc1CCn1ccnc1-c1cn(C2CCNCC2)nn1 82114341 XTIGQYDPFWBCAP-UHFFFAOYSA-N 356.861 2.962 0 50 FFAA COc1ccc2c(C(=O)N3CCC[C@H]3c3n[nH]c(C)n3)cc(C)nc2c1 426531025 URPBQLBBRURHLN-KRWDZBQOSA-N 351.410 2.956 0 50 FFAA Cc1cc2cc(CNC(=O)N3CCCC[C@H]3CN3CCOCC3)ccc2[nH]1 426399414 MSTHYJVEGQBAFD-IBGZPJMESA-N 370.497 2.873 0 50 FFAA O=C(Cn1c(=O)ccc2ccccc21)N1CCCC[C@H]1CCn1cccn1 95529658 UFXCATSOSZGRNV-SFHVURJKSA-N 364.449 2.669 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)NCCN3CCCC[C@H]3CO)oc12 97527978 UUYMIKMNIKXPRC-AWEZNQCLSA-N 366.845 2.671 0 50 FFAA CCOc1ccc(CC(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1 91782161 AREOMRNKZTYDFP-UHFFFAOYSA-N 352.394 2.731 0 50 FFAA COc1ccc(C2(CNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)CCCC2)cc1 91746567 MVISUVGWVIKFGS-OAHLLOKOSA-N 356.466 2.634 0 50 FFAA Cc1cnc(C)c(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)n1 91656817 SQMGVAIHJAWQIP-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA O[C@]12CCNC[C@H]1CN(Cc1ccccc1OCCc1ccccc1)CC2 91768792 QWCLCXNNZGIEMO-GMAHTHKFSA-N 366.505 2.854 0 50 FFAA CC[C@@H](C)NC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91933785 RNANSAXWSVAAOW-QGZVFWFLSA-N 372.513 2.837 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@@H](c1cccnc1)N1CCOCC1 97785251 ILJYXGQHJKFGAT-OAQYLSRUSA-N 365.477 2.650 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cc1 95504116 UGTZIBUBOCTXGM-LJQANCHMSA-N 363.417 2.704 0 50 FFAA COc1ccc(C)cc1NC(=O)CCN1CCC(c2nc(C)n[nH]2)CC1 243893806 AUMMDMFHMJVIGW-UHFFFAOYSA-N 357.458 2.638 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 534592205 QYBABAZYKHYYED-LBPRGKRZSA-N 350.488 2.877 0 50 FFAA Cc1nc(CC(=O)N2CCN(c3nsc4ccccc34)CC2)cs1 299795125 JUBZXERWRWWLEV-UHFFFAOYSA-N 358.492 2.953 0 50 FFAA CCc1c(C)sc2ncnc(N3CC[C@@H]4OCc5cnnn5[C@H]4C3)c12 299756203 DPKNXAHPWYVKAC-KBPBESRZSA-N 356.455 2.504 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)NCc1ccc(CN2CCCC2)cc1 299787372 WGSWIPFLDZLZDJ-UHFFFAOYSA-N 368.481 2.644 0 50 FFAA O=C(NCc1cc2n(n1)CCN(Cc1ccc3[nH]ccc3c1)C2)C1CCC1 299778217 IPUNASXTPBKUIQ-UHFFFAOYSA-N 363.465 2.797 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H](N)CCSC)s1 299801868 YCDHIHXXLQNOKY-ZDUSSCGKSA-N 351.497 2.515 0 50 FFAA Cc1cc(NC(=O)N2CCCO[C@H](CN3CCCCC3)C2)n(C(C)C)n1 299770227 QCJZMIDVHWJBBM-QGZVFWFLSA-N 363.506 2.881 0 50 FFAA O=C(CCCc1ccc(F)cc1)NCC1CCN(Cc2ncc[nH]2)CC1 828023192 BSPFKPDQLOCWJL-UHFFFAOYSA-N 358.461 2.900 0 50 FFAA Cc1cnccc1N1CCN(C(=O)NC2CCN(C3CCCC3)CC2)CC1 584899973 NCALFBIIOMQBBD-UHFFFAOYSA-N 371.529 2.629 0 50 FFAA O=C(CCCc1nc(O)c2ccccc2n1)Nc1n[nH]c(-c2ccoc2)n1 952874648 PJHKXWFPPMLVIB-UHFFFAOYSA-N 364.365 2.675 0 50 FFAA CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc3nc(N(C)C)[nH]c3c2)C1 1875293125 CZPPQCJZQPLJEA-INIZCTEOSA-N 370.375 2.812 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 1875367166 URWPVTXHCKHBOL-LLVKDONJSA-N 360.845 2.818 0 50 FFAA C[C@]1(c2ccc(C(=O)N3CCCC[C@@H]3CCn3ccnn3)cc2)CCO1 1875318038 BDJJJJBQFXRCKT-UYAOXDASSA-N 354.454 2.999 0 50 FFAA CON(C)S(=O)(=O)Cc1ccc(Br)cc1Br 1875340203 QGJCGFHAXDZRKD-UHFFFAOYSA-N 373.066 2.535 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cccc3[nH]ccc23)[C@@H]1c1cncn1C 886035044 VCLIFCALYHHNNW-IFXJQAMLSA-N 351.454 2.714 0 50 FFAA COc1ccc2c(N[C@H]3CCO[C@@H]3c3cn(C)nc3C)ncnc2c1F 886041422 TWWPJZOHJSZRLH-SUMWQHHRSA-N 357.389 2.762 0 50 FFAA O=C(NCc1noc2cc(F)ccc12)N1CCC([C@H]2CCCNC2)CC1 1332555743 AKRHVXRLJHLEOM-AWEZNQCLSA-N 360.433 2.888 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CCO[C@@H](c2ccccc2F)C1 888076588 WWHHPFXSJXUJQW-QGZVFWFLSA-N 359.401 2.657 0 50 FFAA COc1ccccc1CC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](NC(C)=O)C1 1565508749 VEDPDKYSIHMGTD-UXHICEINSA-N 366.461 2.677 0 50 FFAA C[C@H](CC(=O)Nc1ccccc1)N1CCCN(C(=O)c2ccoc2)CC1 170591808 YKNCWUJLDAIUTE-MRXNPFEDSA-N 355.438 2.845 0 50 FFAA Cc1cc(Br)oc1C(=O)NCCn1c(S)nnc1C(C)C 170645247 MHZAOTVOHUWIES-UHFFFAOYSA-N 373.276 2.784 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@H]3COc4ccccc4C3)CC2)cs1 170789289 UUBPGKGKDFBXRW-QGZVFWFLSA-N 371.506 2.783 0 50 FFAA CCCCNS(=O)(=O)c1ccc(-n2cc(Br)cn2)cc1 40456671 QYGWYBRUHYBDBA-UHFFFAOYSA-N 358.261 2.713 0 50 FFAA in-vitro C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C[C@H]1CO 191820230 BNPOXZWNWCJYHW-NEPJUHHUSA-N 353.344 2.592 0 50 FFAA CN(Cc1cccc(C(N)=O)c1)C(=O)C(F)(F)c1c(F)cccc1F 756940219 GWJVRZCYTGLKPA-UHFFFAOYSA-N 354.303 2.814 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc(CN4CCCCC4)s3)C[C@H]2O)n[nH]1 1529138611 GQGYJKHSGCHMQG-OXQOHEQNSA-N 374.554 2.801 0 50 FFAA COc1ccc(-c2onc(N[C@H](C(=O)N(C)C)C(C)C)c2C(=O)O)cc1 1704315414 CRQNQEABOVJMPB-AWEZNQCLSA-N 361.398 2.573 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H](C)Oc1cccc(Cl)c1 1704335537 BLQGIQRAKWMGTN-AWEZNQCLSA-N 364.877 2.729 0 50 FFAA Cc1ccnn1CCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616081521 FOPLRIHANOEYDE-PXNSSMCTSA-N 364.449 2.504 0 50 FFAA CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CCCN(CCc2ccccc2)C1 11707168 WZGADGYMYPJTNS-CTDFXDFQSA-N 352.482 2.599 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]12CCN(c1cnccn1)C2 12593592 SHPUIQKCCQIRSQ-OAQYLSRUSA-N 350.466 2.928 0 50 FFAA COc1ccc(F)c(CN2CCC(CCC(=O)N3CCOCC3)CC2)c1 12704738 ZADCXXGOAZVWTG-UHFFFAOYSA-N 364.461 2.685 0 50 FFAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)N1CCN(CCO)CC1 19228839 YEVZLIBQDXDNFK-HXUWFJFHSA-N 372.896 2.999 0 50 FFAA CCc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1 19330211 SMSUCOQWYDTODS-UHFFFAOYSA-N 361.453 2.684 0 50 FFAA Cc1noc(C)c1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857680376 LPUNNFLIYASSLX-UHFFFAOYSA-N 350.422 2.933 0 50 FFAA COc1ccccc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 212837933 ZLJYVDWCHFROST-MSOLQXFVSA-N 369.465 2.923 0 50 FFAA Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)s1 222048388 IPRMAWOUGJUMSF-MSOLQXFVSA-N 370.522 2.820 0 50 FFAA O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(F)cc(F)c1 225694649 PZXWZMWRLPRGIO-UHFFFAOYSA-N 355.297 2.955 0 50 FFAA CCc1cc(C)c(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)o1 328631901 RNXLMVBUTKBIQA-KRWDZBQOSA-N 370.453 2.754 0 50 FFAA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccccc2)C3)cc1 4145272 ZLGNOMDLPQSKHR-LJQANCHMSA-N 363.417 2.688 0 50 FFAA CC(=O)Oc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1 12446784 GEIBRJUJYKSOJP-VCHYOVAHSA-N 364.426 2.999 0 50 FFAA CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1sccc1C1CC1 2325772326 ZTQCXZWWIZZPQF-UHFFFAOYSA-N 372.493 2.798 0 50 FFAA CC(F)(F)c1nccc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 2325796161 WRICRRQCSJFJIL-UHFFFAOYSA-N 358.396 2.558 0 50 FFAA O=C(CN1CCCNCCC1)N1CCc2sccc2[C@H]1c1ccccc1 2325807424 ZKWKRXDEBSMDNA-OAQYLSRUSA-N 369.534 2.908 0 50 FFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C1CCOCC1 2325810490 NGPHOOXETSNAEK-PMACEKPBSA-N 358.482 2.542 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](C)c3cccs3)C2)n[nH]1 2325843097 UEQAZLDXDOCOPB-STQMWFEESA-N 360.483 2.729 0 50 FFAA O=CN[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 1153814 FLESPZPQUWENFZ-MRVPVSSYSA-N 351.038 2.556 0 50 FFAA CCCCc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 2852366 ZWZJQYMSFMILRQ-UHFFFAOYSA-N 372.446 2.812 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)c2ccc(Cl)cc2F)C1=O 2356164092 FEQNXYMOARTAOA-SFHVURJKSA-N 368.836 2.723 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3cccc4c3OCCO4)CC2)cs1 109652325 KQKBDWBJCTZRNI-UHFFFAOYSA-N 373.478 2.571 0 50 FFAA C[C@@H](NC(=O)CN1CCCN2CCC[C@H]2C1)c1ccc2c(c1)CCCC2 248379680 NPAVUURFPOMRAG-UTKZUKDTSA-N 355.526 2.913 0 50 FFAA C[C@H](C(=O)NC1CCCCC1)n1ncc(N(C)Cc2ccccc2)cc1=O 20540487 QWQSXKJHYFZNFY-MRXNPFEDSA-N 368.481 2.890 0 50 FFAA C[C@@](O)(C(=O)NCc1cccnc1-n1cnc2ccccc21)c1ccccc1 67514433 ZGDIHXLRPKOHGK-QFIPXVFZSA-N 372.428 2.944 0 50 FFAA Cc1ccc(CCNC(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)o1 67948103 MDRYKPOBFCPDSH-UHFFFAOYSA-N 363.421 2.990 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(N[C@@H](C)c4ncn[nH]4)n3)cn2)cc1 23231942 XWYWUNMWKFZOOI-LBPRGKRZSA-N 362.397 2.629 0 50 FFAA CC(C)(C)n1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)nn1 252487447 HWGYGESGEAIBEZ-UHFFFAOYSA-N 359.449 2.567 0 50 FFAA CC[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C[C@H]1O 252476824 CFHTYTCOKZILPA-JSZOFEHESA-N 356.304 2.950 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CCN[C@H](c3cccc(F)c3)C1)CO2 328658979 RYQXXYOMGREHHK-LPHOPBHVSA-N 370.424 2.559 0 50 FFAA O=C1C[C@H](c2cccc(Cl)c2Cl)c2c(O)nc3ncnn3c2N1 4625368 HLCAGNBEEOONMQ-SSDOTTSWSA-N 350.165 2.611 0 50 FFAA Cc1nn(CC(=O)Nc2ccccc2F)c(C)c1I 4726560 DNQYGBYSJZCMDZ-UHFFFAOYSA-N 373.169 2.882 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 77406412 NJLPGGWCDBTAKO-AWEZNQCLSA-N 365.437 2.700 0 50 FFAA Cc1cc(C)n([C@H]2CCN(c3ccnc(C(=O)NCc4ccco4)c3)C2)n1 71767628 IEXSPOPLJZFXOK-KRWDZBQOSA-N 365.437 2.869 0 50 FFAA COCCN1C[C@@H](Cc2ccc3c(c2)c2c(n3C)C(=O)CCC2)CC1=O 218834613 FIFPUMRWDNDGCQ-HNNXBMFYSA-N 354.450 2.735 0 50 FFAA O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5942160 NVJOLVXWNHXBMH-UHFFFAOYSA-N 360.439 2.796 0 50 FFAA CN(CC(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)Cc1ccncc1 72431837 WAKSONJPFVZDNM-GOSISDBHSA-N 367.428 2.893 0 50 FFAA O=C([C@@H](O)c1cccnc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 363404706 OJEFFLNMUCVRKL-KRWDZBQOSA-N 364.405 2.571 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3cnc(C4CC4)nc3C)CC[C@H]21 72412436 PTZSTWMWVSBTDB-DOTOQJQBSA-N 356.470 2.526 0 50 FFAA CCC[C@@]1(CO)CCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C1 366518267 ICKHRYAMAZAYJH-LJQANCHMSA-N 365.543 2.675 0 50 FFAA CNc1nc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)cs1 77520362 QFDSYGWMMQJQMK-LBPRGKRZSA-N 356.411 2.607 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77540473 BGKKTYBKSYFFQY-HXUWFJFHSA-N 360.502 2.794 0 50 FFAA O=C(O)[C@H]1c2[nH]cnc2CCN1Cc1nc(-c2ccc(F)cc2)cs1 72426279 FXOAFIRWMVUKEI-MRXNPFEDSA-N 358.398 2.856 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 237596294 FGHCEKCYERRBTO-NVXWUHKLSA-N 370.380 2.892 0 50 FFAA O=C(c1cnn2ccccc12)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72143380 RWBNXUYRPFBHAP-LJQANCHMSA-N 360.461 2.650 0 50 FFAA O=C(c1ccco1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 218829167 FPBQIJKDQUTKDO-UHFFFAOYSA-N 359.495 2.895 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCC(C(F)(F)F)CC1 173461780 KFMAPHJYLYBQHJ-UHFFFAOYSA-N 370.375 2.785 0 50 FFAA Cc1nc([C@H]2CCCN(c3ncccc3C(=O)O)C2)cc(N2CCCC2)n1 72475431 DLFLPYGZTDTQND-HNNXBMFYSA-N 367.453 2.862 0 50 FFAA CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NN1Cc2ccccc2C1=O 375451954 CAIJTLJUIAAZSW-SJLPKXTDSA-N 368.437 2.619 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1csc(N(C)C)n1 72439536 BUKYVELLLGRDJM-UHFFFAOYSA-N 369.494 2.871 0 50 FFAA COc1ccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cc1 72447352 UHIUCNRNCKQAGW-GOSISDBHSA-N 369.513 2.799 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72424068 KIDUAOWHNRBRAI-AWEZNQCLSA-N 364.453 2.501 0 50 FFAA CS(=O)(=O)N1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1 43328886 XOXLPXOXFYRYJY-UHFFFAOYSA-N 373.478 2.899 0 50 FFAA CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2CC(C)C)cc1 240757029 HVXLYYTVWMJWJG-UHFFFAOYSA-N 374.506 2.864 0 50 FFAA Cc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)no2)n1 72408880 VDRBPYHVHLIGLI-ZDUSSCGKSA-N 353.426 2.845 0 50 FFAA CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(-c3nnnn3C)c2)s1 175441684 KPQHPRSOGZXXHV-JTQLQIEISA-N 358.427 2.602 0 50 FFAA C[C@H](CN(C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)O 263340542 NHSVFKUYCYLUBC-SECBINFHSA-N 369.393 2.679 0 50 FFAA COc1cccc(F)c1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82086920 UAOIYRZRCDXGCP-UHFFFAOYSA-N 374.460 2.823 0 50 FFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCOC2(CCCC2)C1 426414912 YHWOBIIFPVBEHB-GOSISDBHSA-N 354.454 2.979 0 50 FFAA O=C(NC1(C(=O)NCC2CC2)CCCC1)c1csc(-c2ccoc2)n1 177430419 RKVNZJZEBAFPBL-UHFFFAOYSA-N 359.451 2.972 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cn1 82108208 BOJYIWVKSPPAOF-MRXNPFEDSA-N 365.437 2.630 0 50 FFAA CCCO[C@H]1CCCN(C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)C1 223333641 UYPZQPKLBGEADI-INIZCTEOSA-N 363.454 2.867 0 50 FFAA C[C@H](C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(C)CC1 82109155 IHLITMBAHCNJCF-CQSZACIVSA-N 367.896 2.967 0 50 FFAA c1ccc(CNc2nc(Nc3ccccc3)nc(N3CCNCC3)n2)cc1 147290178 YLYIHYOTBYLWSQ-UHFFFAOYSA-N 361.453 2.637 0 50 FFAA CN(C)C(=O)CCc1cccc(NC(=O)N[C@H](CO)c2ccccc2)c1 96160308 PRAPTYZRYHASAC-GOSISDBHSA-N 355.438 2.563 0 50 FFAA COCCCn1cnnc1CNC(=O)c1ccc(-c2cccc(O)c2)cc1 426740680 YNRPKVXBTZXYNX-UHFFFAOYSA-N 366.421 2.617 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CCCN(C2CCOCC2)C1 95372589 ATHPRVHZAXFEPW-CQSZACIVSA-N 374.460 2.551 0 50 FFAA COc1cccc2c1OCC(CN1CCC[C@]3(CC1)CN(C)C(=O)O3)=C2 97742734 XDKASIVARLDNII-FQEVSTJZSA-N 358.438 2.778 0 50 FFAA CCc1nc(C[C@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)no1 95354439 PORWSWQSTYGKPC-LBPRGKRZSA-N 359.455 2.701 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)CCc3ccsc3)C2)CCC1=O 91871653 YBHMRSWBSGUSBP-IBGZPJMESA-N 364.511 2.558 0 50 FFAA Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c(=O)[nH]1 91997890 OZTDHQOOOWYRGK-RTBURBONSA-N 365.477 2.728 0 50 FFAA COCC(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC1 97759435 SMQQQSOOFOHGOG-GFCCVEGCSA-N 372.387 2.768 0 50 FFAA OCc1csc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 95370891 AVCJWTBBCWMFCU-AWEZNQCLSA-N 355.467 2.659 0 50 FFAA O=C(c1ccc(F)cc1Cl)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91526499 ZQYJCWXMOVNEPD-ZIAGYGMSSA-N 354.853 2.646 0 50 FFAA CSCC[C@H](O)C(=O)N1CCC(c2nccn2CC2CCC2)CC1 92037219 RPRBAQGMVLIFGV-INIZCTEOSA-N 351.516 2.503 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CCn2cccn2)CC1 95372503 FYRHQSNRRWMQMW-HXUWFJFHSA-N 352.482 2.569 0 50 FFAA CCC1=NO[C@H](CNC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1 97402372 DNZNNFNOHDEBMX-KRWDZBQOSA-N 358.442 2.528 0 50 FFAA O=C(O)c1ccc(-c2ccccc2)nc1N1CCC2(CC1)OCCC[C@@H]2O 95380550 URASIHOXABBDAR-SFHVURJKSA-N 368.433 2.957 0 50 FFAA OC[C@H]1CCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C[C@@H]1O 97757813 QMGGMQLFSCZULL-IRLDBZIGSA-N 350.462 2.865 0 50 FFAA COCCNC(=O)c1ccc(OC2CCN(C(C)C)CC2)c(Cl)c1 95521180 JQEHOCDZIFUFJJ-UHFFFAOYSA-N 354.878 2.968 0 50 FFAA O=C(CCN1CC[C@@]2(CC(=O)c3ccccc3O2)C1)NCc1cccs1 244691589 JFLDYJDMJDSEHD-HXUWFJFHSA-N 370.474 2.864 0 50 FFAA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 253410812 NTRBFEXAUXLBOB-RBUKOAKNSA-N 371.525 2.869 0 50 FFAA biogenic CCOc1c(CNC(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)cccc1OC 534669043 SVJXXHISFWCNRI-HNNXBMFYSA-N 373.457 2.610 0 50 FFAA O=C1NC[C@H](NCCc2cccs2)n2nc(-c3ccc(F)cc3)cc21 263618708 VBROZPOVYMKYQW-QGZVFWFLSA-N 356.426 2.825 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc(-c2cnn3ccccc23)cc1 534649804 ONQKGIPSZNRLQA-UHFFFAOYSA-N 364.405 2.573 0 50 FFAA O=C([C@@H]1CCCO1)N1CCCN(Cc2coc(-c3ccccc3)n2)CC1 368910097 KRCKJNNSUPTZTF-SFHVURJKSA-N 355.438 2.555 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)s1 299768777 QCOLFYCSSLCBEZ-HXUWFJFHSA-N 369.490 2.839 0 50 FFAA O=C(NCc1nc(-c2ccco2)no1)c1cc2ccccc2c(=O)s1 828147327 POSLWOVXOHVHIJ-UHFFFAOYSA-N 353.359 2.835 0 50 FFAA Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2cc[nH]n2)o1 670452030 OVVUANGFUPUODH-UHFFFAOYSA-N 370.434 2.911 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)c1cc(C(F)(F)F)ccc1Cl 670453815 SDBNAQRJTVOZCI-LBPRGKRZSA-N 364.795 2.935 0 50 FFAA CON1CCC(CC(=O)N[C@H](c2ccccc2)c2noc(C3CC3)n2)CC1 1875267687 FLNYMHFWVHCFRS-GOSISDBHSA-N 370.453 2.816 0 50 FFAA Cn1cnc2c1CC[C@@H]1[C@@H]2CCCN1C(=O)c1cncn1-c1ccccc1 1875295899 URVGEGBMFSODBK-DLBZAZTESA-N 361.449 2.940 0 50 FFAA CCC(CC)c1nc(-c2cc3n(n2)CCCC3)n(CCN2CCOCC2)n1 1875325345 VZPWQXRCRGEHMB-UHFFFAOYSA-N 372.517 2.714 0 50 FFAA CCn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)C34CCC(CC3)C4)CC1)O2 1875394809 XKHYDQIIIKPISI-XAUUPUKJSA-N 359.470 2.660 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)CCn1c(C)cccc1=O 952979265 UCSJRMNZYOLNRV-SFHVURJKSA-N 356.470 2.523 0 50 FFAA CC[C@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)n1cccn1 952978769 FFYWOVCWMJKNHS-OAHLLOKOSA-N 354.414 2.655 0 50 FFAA O=C(NCc1csc(-c2ncccn2)n1)c1ccc(CN2CCCC2)o1 952989780 UFCYFRFEASYLHS-UHFFFAOYSA-N 369.450 2.719 0 50 FFAA O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1C[C@H]2CCN[C@H]2C1 1076019212 HYSFLMDAKZRNHM-YADHBBJMSA-N 361.489 2.679 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3C[C@H]4C[C@H](N(C)C)CC[C@H]4C3)n2)cc1 1345237900 YKFRYXIOKVWFFG-LZLYRXPVSA-N 368.481 2.683 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565515822 TZRZNEXMYRDUKH-ROUUACIJSA-N 362.401 2.716 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCCc2cccs2)C[C@@H]1NC(=O)N(C)C 1565528386 VADDFROTNXWABI-CVEARBPZSA-N 351.516 2.825 0 50 FFAA C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 278624545 SSNOIPKGWIZGKH-ZETCQYMHSA-N 358.769 2.577 0 50 FFAA O=C1COc2cccc(OCc3noc(-c4ccc(F)cc4F)n3)c2N1 187953474 OGFOJQZFFFDYEG-UHFFFAOYSA-N 359.288 2.925 0 50 FFAA CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1ncn(-c4ccccc4)n1)[C@H]3C2 192830546 BTPPANXTHBKKMH-ALKREAHSSA-N 372.494 2.608 0 50 FFAA Cn1nc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c2c(Cl)cccc21 1529167354 HJBBNUYIBCMAEX-KDOFPFPSSA-N 356.857 2.657 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc4c(c3)CCCO4)C1)CC2 1704358693 QSUQWGHJSNOAGP-OAQYLSRUSA-N 364.449 2.504 0 50 FFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)[C@@]1(c2ccc(F)cc2)CC1(C)C 1704309037 WKUMCXPSMOAJAJ-FQEVSTJZSA-N 358.461 2.807 0 50 FFAA Cc1cccc(N2C[C@@H](Nc3ncccc3C(=O)N3CCCC3)CC2=O)c1 1704300826 XGQGQTZOJCPYDO-INIZCTEOSA-N 364.449 2.843 0 50 FFAA O[C@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@@H]1Cc1ccccn1 1615737007 PSLRHHWBHLPYLC-PXNSSMCTSA-N 357.523 2.774 0 50 FFAA CCCNC(=O)N1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1772819135 FQJIHWMTGZBWLM-UHFFFAOYSA-N 357.376 2.973 0 50 FFAA CC(C)CCc1noc(CN2CCCC[C@H]2CCN2CCOCC2)n1 11873249 QRILWKASGOFIQL-KRWDZBQOSA-N 350.507 2.735 0 50 FFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 12138541 IBJHFVGJSRFKRE-OAHLLOKOSA-N 368.389 2.546 0 50 FFAA O=C(NCCc1ccncc1)c1cc(COc2ccc(F)cc2F)on1 12320072 OXDODRRYTVQCOA-UHFFFAOYSA-N 359.332 2.899 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)c1csc2nc(-c3ccc(C)cc3)cn12 12441894 XFTIKYAACYQKOI-HNNXBMFYSA-N 368.462 2.722 0 50 FFAA COc1ccc([C@H]2C[C@H](c3cc(OC)ccc3OC)n3nnnc3N2)cc1 13123451 JXTCSMVOHMBOSO-IAGOWNOFSA-N 367.409 2.845 0 50 FFAA Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)CC(C)(C)C2 16625584 YMTURIZZYITOHG-UHFFFAOYSA-N 351.454 2.662 0 50 FFAA OCC1CCN([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 19841569 NGFQMEVUQBMJEP-MRXNPFEDSA-N 366.889 2.737 0 50 FFAA CC1(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C[C@H]3C(=O)O)CC1 1857693848 PPCZZVXRILXUEE-INIZCTEOSA-N 374.456 2.751 0 50 FFAA CN(CCO)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857701545 NMVOAFDCIWCLLP-GFCCVEGCSA-N 351.834 2.538 0 50 FFAA CC[C@@]1(C(=O)N2CCOC(C)(C)C2)C[C@@H]2CC[C@H]1N2Cc1cc(C)no1 1857718036 LHTAEGWBDBCSEW-XAUMDUMWSA-N 361.486 2.754 0 50 FFAA CN1C(=O)CCO[C@H]2CN(CCCC(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]21 1857719205 GXRFXLPWIQWONM-ICSRJNTNSA-N 372.509 2.879 0 50 FFAA CC[C@@H](NC(=O)c1ccc2sc(=N)[nH]c2c1)c1cn2cccnc2n1 1857733118 WCAHPNOUXQRCOA-LLVKDONJSA-N 352.423 2.633 0 50 FFAA CC(C)CN1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875242722 YUGALCXMVHKPNV-IBGZPJMESA-N 359.514 2.535 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)C2C3CC4CC(C3)CC2C4)O1 407983801 SRCGECUSADPISH-QNKWNLTOSA-N 361.482 2.769 0 50 FFAA COc1ccccc1N1CCC(NC(=O)C2(NC(C)=O)CCCCC2)CC1 138632200 ZZHYCSYGFORYJO-UHFFFAOYSA-N 373.497 2.619 0 50 FFAA CC(C)Oc1ccc(-c2nc(C(=O)N3CCNC(=O)CC3)cs2)cc1 156644246 BPJPPOSFBDWIKD-UHFFFAOYSA-N 359.451 2.559 0 50 FFAA Cc1cccc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)c2)c1 1704313692 NFUMHQFNIXQXTM-UXHICEINSA-N 364.445 2.591 0 50 FFAA C[C@@H](Cc1cncc2ccccc12)C(=O)N[C@H](C(=O)O)C1(O)CCCCC1 2325803161 UPDSWHGQSBHEJO-KBXCAEBGSA-N 370.449 2.678 0 50 FFAA CN(C(=O)c1ccn(-c2c(F)cccc2F)n1)C1([C@H]2CCCCN2)CC1 2325812341 NYPPPNYIHQSCSU-MRXNPFEDSA-N 360.408 2.897 0 50 FFAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1ccc(Cn2cccc2)cc1 2325871716 WFYXQELSCOAUHZ-GOSISDBHSA-N 350.374 2.954 0 50 FFAA C[C@H](C(=O)N(C)CC1CC1)n1cc(-c2ccc(C(F)(F)F)cn2)nn1 2325873672 PJOLBJSQHKEVJD-SNVBAGLBSA-N 353.348 2.788 0 50 FFAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccccc3OCc3cscn3)CC[C@H]21 910842891 MJFIFMIOWHCNSH-IVMMDQJWSA-N 358.419 2.515 0 50 FFAA CS(=O)(=O)N(Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 835040 GEUCLLLQMSOHHG-UHFFFAOYSA-N 358.463 2.889 0 50 FFAA CCOc1ccc(Br)cc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 1168985 WMFRHYUZEJXKNJ-ZDUSSCGKSA-N 369.215 2.649 0 50 FFAA CCOc1ccc(N2CC(=O)N(c3ccc(OCC)cc3)CC2=O)cc1 2271444 YDCDXYHFUBGIJO-UHFFFAOYSA-N 354.406 2.864 0 50 FFAA O=S(=O)(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccccc1 2321923 HAXBLLLFRQOMRY-UHFFFAOYSA-N 351.391 2.592 0 50 FFAA CC(C)(C)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 2848484 PSOKZHBCMKLKHE-UHFFFAOYSA-N 356.260 2.984 0 50 FFAA COc1ccc(-c2nc3c4c(C)c(C)n(CCCO)c4ncn3n2)cc1 6757623 RXZJZFWBRTWEGV-UHFFFAOYSA-N 351.410 2.754 0 50 FFAA C[C@H](NC(=O)COc1ccc(-c2nnc(N)o2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 225543954 KMEAAOJPAKXTDK-LMRQPLJMSA-N 356.426 2.639 0 50 FFAA CN(Cc1cnc2ccccn12)C(=O)c1ccc(CSc2ncn[nH]2)o1 67654852 LPJBULAGTUTKPZ-UHFFFAOYSA-N 368.422 2.610 0 50 FFAA CC(C)CCN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 20541509 HUKUYDGPRHULLL-UHFFFAOYSA-N 372.557 2.920 0 50 FFAA O=S(=O)(c1cccc2cnccc12)N(CCO)[C@H]1CCc2ccccc21 119544102 BGQUXBJXDTUZHZ-IBGZPJMESA-N 368.458 2.905 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)no1 67867661 IIKBMRXKXOVAAL-GOSISDBHSA-N 368.481 2.617 0 50 FFAA CCn1cc(CN(C)C(=O)CCc2nc(-c3ccccc3OC)no2)cn1 65405615 BOBRSLJLPIECSZ-UHFFFAOYSA-N 369.425 2.553 0 50 FFAA O=C([C@@H](c1ccccc1)n1cccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 409413972 HMZXOAFKGSNQRR-ZWCUEREDSA-N 373.456 2.885 0 50 FFAA biogenic Cc1nc(NCCSc2nnc(C)s2)cc([C@H]2CCCNC2)n1 39541841 IOSKQKBVCVTWNG-LBPRGKRZSA-N 350.517 2.616 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@H]2CCC[C@@H](C)C2)o1 328613679 TULXHJKFUAXPFF-ILXRZTDVSA-N 351.447 2.688 0 50 FFAA CC(C)[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCC(=O)N1CC1CC1 71767691 NSVJJBNYJLMQQV-GOSISDBHSA-N 358.482 2.927 0 50 FFAA CCn1nc(C)c(CN2CCN(c3ccc(C(=O)OC)cc3)CC2)c1C 72475401 XRAIJJSQJQMLKX-UHFFFAOYSA-N 356.470 2.629 0 50 FFAA O=C(c1cocn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72121941 YGVVQFMCQLDWCU-FSPWUOQZSA-N 359.376 2.655 0 50 FFAA Cc1nc(C)n(C2CN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)C2)n1 333320706 AYJXVQUXJUGFRH-FWIFWCIWSA-N 356.392 2.893 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc(CC(C)C)nn3CC)CC2)OC1=O 77341483 XPKKAXBGNSWJNZ-UHFFFAOYSA-N 362.474 2.548 0 50 FFAA O=C(NCc1cscn1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 375509383 BQTFJZXMBXHJGW-SECBINFHSA-N 359.377 2.974 0 50 FFAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CC=C(c2ccccc2)CC1 77489889 PYVOKLADKZOPDZ-IBGZPJMESA-N 365.481 2.740 0 50 FFAA O=C(NC1CC=CC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 71753079 CONUXEFMNZQQIC-IBGZPJMESA-N 368.525 2.593 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1F 77286682 LJEPBADUDSKDLS-HNNXBMFYSA-N 368.474 2.690 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc3cccc(C)n3c2=O)c1 77519069 AIJIEERQEMFVOO-SFHVURJKSA-N 363.417 2.989 0 50 FFAA CC1(O)CCN(C(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 288578055 GYLKBBZFDCUAQV-JKSUJKDBSA-N 354.397 2.821 0 50 FFAA Cc1cc(OC(F)F)ccc1NC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 426504637 RPPXDPWAACPGAB-HOTGVXAUSA-N 369.412 2.659 0 50 FFAA CCC(=O)N1CC(=O)N(c2cccc(OC)c2)C[C@H]1Cc1ccccc1 82137239 KJKPRHOJNHBFKK-GOSISDBHSA-N 352.434 2.892 0 50 FFAA Cc1cc(-c2ccc(C(=O)N[C@@H](C)c3nncn3C(C)C)cc2)nc(N)n1 426705697 MQNDLJNOFKBISR-ZDUSSCGKSA-N 365.441 2.698 0 50 FFAA Cc1sc(-n2cccc2)c(C(=O)N2CCOC[C@@H](CN(C)C)C2)c1C 426651186 CKPBJJBWZHKCNK-INIZCTEOSA-N 361.511 2.806 0 50 FFAA CCS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)s1 426646961 DGHLLZFYUISMDU-AWEZNQCLSA-N 365.476 2.727 0 50 FFAA COc1ccnc(-c2cccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c2)n1 426604678 XLEUQAWCSYQCDS-LBPRGKRZSA-N 351.410 2.545 0 50 FFAA CC(C)n1cc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cn1 426668259 GOEFAJCSZBXENG-OAHLLOKOSA-N 367.457 2.947 0 50 FFAA O=C1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)CN1CCO 91649981 YGMVPHHMNQRUFA-UHFFFAOYSA-N 370.415 2.902 0 50 FFAA CC(C)N1CCC(CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)CC1 95374198 IHAFJBSVKAAUNB-OAQYLSRUSA-N 367.497 2.789 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)[C@H](C(=O)O)c1ccc(-n2cccn2)cc1 95386187 JVKAIGMJDIGUBO-SFHVURJKSA-N 353.426 2.512 0 50 FFAA Cc1nnc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1 95524377 URZGQJYHNISMMX-HNNXBMFYSA-N 366.425 2.619 0 50 FFAA CCOCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 95380140 FXFXCHOZGXSXBC-CEWLAPEOSA-N 358.482 2.510 0 50 FFAA COc1c(C)cc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)cc1C 95367959 PENWARMDMVZSEO-IBGZPJMESA-N 369.465 2.651 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCc1nc3ccccc3o1)C2 95371838 KMFUGBZTPHJZDU-CQSZACIVSA-N 352.390 2.746 0 50 FFAA COc1nc2c(cc1C(=O)N1CCc3ccccc3[C@@H]1CC(=O)O)CCC2 95512864 FDGCOLAFSSPRCX-SFHVURJKSA-N 366.417 2.793 0 50 FFAA CCCOC[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCOCC2)C1 96161556 VYYPNZYJXRRQPY-QGZVFWFLSA-N 361.486 2.799 0 50 FFAA Cc1ccc([C@@H](C(=O)NCC2(O)C3CC4CC(C3)CC2C4)N(C)C)cc1 92036994 XSCJASZHRADVJL-RUDPJTKLSA-N 356.510 2.901 0 50 FFAA Cn1c(CN2CCC(n3cc(CCCO)nn3)CC2)cc2ccccc21 23158628 AAAZBYLGNAKWFK-UHFFFAOYSA-N 353.470 2.532 0 50 FFAA CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)c(C)c1)CC2 91255266 CEQRXLWHYMPWLJ-UHFFFAOYSA-N 366.465 2.563 0 50 FFAA O=C(C1CCCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95353659 HIMKWCLRKSKMAO-IOMROCGXSA-N 368.477 2.994 0 50 FFAA O=C(c1cc(Cl)ccc1F)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91625274 HLSNINROPIFLAZ-ZIAGYGMSSA-N 354.853 2.646 0 50 FFAA COCCn1c(COc2ccc3sc(C)nc3c2)nnc1[C@H]1C[C@@H](N)C1 244673829 HWIYBGKXMZMHFZ-BETUJISGSA-N 373.482 2.626 0 50 FFAA CCOc1cccc(C(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1 244874745 XGNOGIBKMMSJGE-JTDSTZFVSA-N 356.422 2.731 0 50 FFAA N[C@H]1C[C@H](c2nnc(CN3CCC(c4ccncc4)CC3)n2C2CC2)C1 244795795 RNUBKRLOZQTBEK-QAQDUYKDSA-N 352.486 2.592 0 50 FFAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(N)=O 252492310 MIJSDNYZPDRPET-UHFFFAOYSA-N 354.815 2.557 0 50 FFAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 299343407 HMBVWJHADDDDHB-CYBMUJFWSA-N 361.316 2.644 0 50 FFAA Cc1nc(C(=O)NC2CCC(S(C)(=O)=O)CC2)c(-c2ccccc2)o1 184947019 OQXXKFJMEURRIZ-UHFFFAOYSA-N 362.451 2.736 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)nc2c1CCCC2 299766379 DAZRZIWSXGXVGH-QGZVFWFLSA-N 365.477 2.964 0 50 FFAA COc1cccc(C)c1C(=O)N1CCN(c2ncnc3ccccc23)CC1 824792411 CXPXLNBHPLYFDG-UHFFFAOYSA-N 362.433 2.909 0 50 FFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1(c2cc(F)cc(F)c2)CC1 584887991 JSPQJVBHNAYNJG-KRWDZBQOSA-N 367.440 2.706 0 50 FFAA Cc1ccc(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)c(=O)n1C 670471170 ZYIILRLCDPWLFT-UHFFFAOYSA-N 358.829 2.586 0 50 FFAA CCc1nc([C@@H]2CCCCN2C(=O)c2cc(=O)n(C)c3ccccc23)no1 1328983389 CWKDAJHAPUXVGO-INIZCTEOSA-N 366.421 2.851 0 50 FFAA c1c(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)nnn1C1CCC1 952890969 PNMLVOGYJWXJFK-SJORKVTESA-N 353.474 2.624 0 50 FFAA Cc1csc(N2CCC(C(=O)N[C@@H](C(=O)O)c3ccsc3)CC2)n1 1875271019 PZIPAWZMCLRVGN-CYBMUJFWSA-N 365.480 2.672 0 50 FFAA Cc1nc(C(=O)N2CCC([C@@H](CN)c3ccccc3)CC2)c2ccnc-2[nH]1 1875301330 FSIITEURZDNCOT-SFHVURJKSA-N 363.465 2.813 0 50 FFAA COC(=O)[C@H]1C[C@@H]2[C@@H](NC(=O)NCc3ccc4c(c3)cc(C)n4C)C[C@H]2C1 1875304097 ZVXQGZSXSXDIFV-BGTYHANMSA-N 369.465 2.874 0 50 FFAA Cc1c(C(=O)N=[S@]2(=O)CCC[C@]3(CCCN3)C2)cnn1CCC(C)C 1875393159 HZLFUXPNGICOKY-CJAUYULYSA-N 366.531 2.762 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H](C)CN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)[nH]1 1875405081 PACARMLHORSWFU-STQMWFEESA-N 358.486 2.526 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1nc(CSC)no1)(C3)C2 952969779 GVVSHLNXLCAMIA-QRVDHSFSSA-N 365.499 2.660 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1nc2cc(F)ccc2[nH]1 1565513844 YXODJODYGUMKPH-DOMZBBRYSA-N 370.428 2.565 0 50 FFAA Cc1ncncc1C(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1565528450 OYFLXURKDGAROO-UXHICEINSA-N 364.493 2.954 0 50 FFAA O=C(c1c[nH]nc1-c1ccccc1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 1565506081 OOSFTWCNNCENBT-WBVHZDCISA-N 374.448 2.608 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)s1 1565510683 NVKDZBRFUHEICA-NEPJUHHUSA-N 360.435 2.936 0 50 FFAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCc1ccncn1 192318271 VHKBOOHZXLWZLE-UHFFFAOYSA-N 366.343 2.648 0 50 FFAA CC(C)Nc1cc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)ncn1 1704311301 DRUMPLGTAXHDEX-FQEVSTJZSA-N 367.501 2.637 0 50 FFAA c1ccc(CN2CCC(N[C@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1704338948 LVAYQEHJLDIAAW-IRLDBZIGSA-N 351.494 2.893 0 50 FFAA Cn1cncc1CN(CCO)C(=O)C[C@H](c1ccccc1)c1ccco1 1704337726 YRCJVIJMAXDVRG-GOSISDBHSA-N 353.422 2.556 0 50 FFAA Cc1cnn(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)c1 1616081178 MSCOSBFMWNQSPG-PXNSSMCTSA-N 364.449 2.504 0 50 FFAA CC(C)N1C[C@H](CN2CCCN(Cc3ccccc3F)CC2)CCC1=O 1772809274 RGPFJUDWPKYQJC-SFHVURJKSA-N 361.505 2.980 0 50 FFAA CC(C)N1C[C@H](CN2CCN(c3ccc(Cl)cn3)CC2)CCC1=O 1772816087 HPTDSNVPMBARQW-HNNXBMFYSA-N 350.894 2.504 0 50 FFAA CCNc1ncc(-c2nccn2-c2ccc3c(c2)nc([C@@H](C)O)n3C)cn1 1775983591 NZYROMYXTBHEHZ-GFCCVEGCSA-N 363.425 2.701 0 50 FFAA O=C1O[C@@H]2CN(c3nc4ccccc4s3)C[C@@H]2N1Cc1ccccn1 12436247 ODECXHJFDRMFIH-LSDHHAIUSA-N 352.419 2.901 0 50 FFAA CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 12531581 DPUKDTMEAJFOQB-UHFFFAOYSA-N 372.494 2.683 0 50 FFAA CCc1noc(C)c1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 14947814 PFAMZGQNKROVHL-ZDUSSCGKSA-N 361.829 2.730 0 50 FFAA COCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 18276478 IELDUPDPRSQBRG-UHFFFAOYSA-N 374.249 2.954 0 50 FFAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1F 1857691825 YPKZOVLYEMCLNH-ABSDTBQOSA-N 370.424 2.779 0 50 FFAA C[C@]1(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC12CCNCC2 1857704467 SRLFDUHJNURWLO-GOSISDBHSA-N 374.872 2.829 0 50 FFAA O=C(Cc1ccc(F)cc1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857707892 OMFBLPMICANAGC-SLFFLAALSA-N 354.425 2.699 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1 1857730653 TXOWALIPARDFBB-KNQAVFIVSA-N 362.429 2.835 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ncccn3)C[C@]23CC[C@H]1O3)C1CCCCCC1 1857737348 INQRXIKDLGLWHF-XKGFGPFHSA-N 370.497 2.547 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(O)nc4ccc(C)cc34)CCN12 1875248979 BXNOGYQDVMFYCY-JKSUJKDBSA-N 369.465 2.574 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)C2C3CC4CC(C3)CC2C4)O1 407983820 SRCGECUSADPISH-ZPJUTLMHSA-N 361.482 2.769 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CCC[C@H]([C@@H](C)N)C1 237121604 DNTLNZDKASJAHO-OCCSQVGLSA-N 369.303 2.976 0 50 FFAA COc1ccc(C(=O)NCC(=O)N2CCC[C@H]2C2CCCC2)cc1OC 132675373 IKPJNYBYCFKJTQ-INIZCTEOSA-N 360.454 2.615 0 50 FFAA CCOc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 19880983 RQTOUFWQNMUXAE-CQSZACIVSA-N 372.402 2.603 0 50 FFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 373599884 ALDWBYIYFJVTAC-QFIPXVFZSA-N 372.428 2.667 0 50 FFAA Cc1ccccc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 266070449 XSGWFLFUHHEPSU-LJQANCHMSA-N 351.450 2.901 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)O)c(C)o2)cc1OC 811801 PAFBZCCPXRQOJW-AWEZNQCLSA-N 359.378 2.961 0 50 FFAA Oc1nc(-c2ccccc2)nc2c1CCC21CCN([C@H]2CCOC2)CC1 2100483942 UFIAVWHKPAKQJI-INIZCTEOSA-N 351.450 2.918 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CO[C@H](Cn4cccn4)C3)cc2)c1C 2325784945 VSPSYGYTOYEFKM-LPHOPBHVSA-N 365.437 2.729 0 50 FFAA C[C@@H](CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C)NC(=O)CC(C)(C)C 2325867485 XHKNSGJSXXEJOD-XYTVBORESA-N 351.535 2.697 0 50 FFAA O=C(O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 854191 UYXQOCSYVPCEHR-UHFFFAOYSA-N 361.419 2.964 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@H](C)C3)C2)cc1 4291506 GYROYZVYGSDGNF-DLBZAZTESA-N 364.511 2.654 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 6746547 VNTXFJKJRQXNDZ-QGZVFWFLSA-N 364.511 2.956 0 50 FFAA COc1ccccc1[C@H](C)N1CCN([C@H]2COc3ccccc3[C@@H]2O)CC1 225718188 YIZZSMDIJWTOMK-BPXKWBHBSA-N 368.477 2.868 0 50 FFAA NC(=O)COc1ccccc1CN(Cc1ccsc1)C[C@H]1CCCO1 55108084 JUGKSLAPNNMKKB-QGZVFWFLSA-N 360.479 2.793 0 50 FFAA CCN1CCN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC1 54178070 AIOBNUQOUGZYGV-UHFFFAOYSA-N 355.221 2.878 0 50 FFAA O=C(CN1CCN(C(=S)Nc2ccccc2)CC1)Nc1ccc(F)cc1 54254375 OMUNSMCNVZZJSY-UHFFFAOYSA-N 372.469 2.779 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 134661572 IHORXHJGKQCJPP-RKVPGOIHSA-N 356.495 2.612 0 50 FFAA CCN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)[C@@H]1CCCC[C@H]1O 67712643 DEYDEUZHOBNFEY-QZTJIDSGSA-N 361.417 2.893 0 50 FFAA CC(=O)N1C[C@@H](O)C[C@@H]1c1nc(-c2cc(F)ccc2C(F)(F)F)no1 349958086 OCVWSKPDPSDFHK-JOYOIKCWSA-N 359.279 2.549 0 50 FFAA COC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 306815998 CTHCRMIWFPLNJK-SFHVURJKSA-N 355.390 2.967 0 50 FFAA CCN1C(=O)COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc21 28404294 QGNFARMZEOSRKF-UHFFFAOYSA-N 364.357 2.791 0 50 FFAA O[C@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(F)cc2)CC1 22298744 VUOVGSGOPJBBBX-NRFANRHFSA-N 370.468 2.876 0 50 FFAA COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](C)NC(=O)[C@H]1C3 653845354 XDVXQQDQFWVCAU-MZPVMMEZSA-N 355.438 2.535 0 50 FFAA Cn1nc([C@@H]2CCCN(CCc3ccccc3)C2)n(-c2ccccc2)c1=O 67896148 KMEQJDHUKCBECA-LJQANCHMSA-N 362.477 2.993 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N(CC3CCC3)C[C@H]3CCCO3)n[nH]2)n1 11936714 RKLOHOWNVSFJJH-GOSISDBHSA-N 371.485 2.693 0 50 FFAA O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CC(c2ccncc2)=NO1 252495222 ONXJKONMLQUKLG-SFHVURJKSA-N 352.369 2.554 0 50 FFAA C[C@H](NC(=O)c1cnnn1-c1ccccc1)c1ccccc1-n1cccn1 65436022 LMDAJKBDCNENTM-HNNXBMFYSA-N 358.405 2.944 0 50 FFAA C[C@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cc1 1388600 OAFXXDAKANEVIM-INIZCTEOSA-N 359.875 2.777 0 50 FFAA CCn1nc(CO)c2c1CCN(Cc1cn[nH]c1-c1cc(C)ccc1C)C2 215562681 IXIGVSSBZYOBNQ-UHFFFAOYSA-N 365.481 2.961 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2ccncc2Cl)CC1 328628201 GZDUQHGILPMYLV-GOSISDBHSA-N 373.888 2.928 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 232756360 WMTGYPSIRZEWJJ-SFHVURJKSA-N 374.462 2.500 0 50 FFAA Cc1cc(C)n2c(CN3CCC(NC(=O)c4ccccc4)CC3)cnc2n1 123065405 MDPOLOMYUUIZEU-UHFFFAOYSA-N 363.465 2.741 0 50 FFAA COc1cccc([C@@H]2CN(CCCn3cccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72152426 BXFPTKGYIXTJQF-BHDDXSALSA-N 366.509 2.844 0 50 FFAA Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)c3cscn3)c12 153545298 WQVAPDRRZUIXHH-GFCCVEGCSA-N 357.439 2.936 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)C[C@@H](O)c1ccccc1)CC2 361997354 ODYGPBJXWZQRCV-GOSISDBHSA-N 355.434 2.755 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCc1ccccc1 12587254 KQDLLIQKBLIXQL-HXUWFJFHSA-N 360.404 2.608 0 50 FFAA CC(C)(C)C(=O)NCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 363581112 VEZNWPRMTQXUMR-QFIPXVFZSA-N 371.525 2.663 0 50 FFAA CC(=O)Nc1cccc(CNC(=O)NC[C@H](CO)Cc2ccc(C)cc2)c1 240894794 IPXSLCPHOODIOL-LJQANCHMSA-N 369.465 2.604 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 77356464 PHZDHJIFEHQKOD-GFCCVEGCSA-N 362.854 2.549 0 50 FFAA c1cc2c(cc1-c1nn3c(CN4CCCCC4)nnc3s1)OCCO2 39389269 NKCVOMJAKKFDGY-UHFFFAOYSA-N 357.439 2.610 0 50 FFAA Cc1ccccc1[C@@H](Cn1ccnc1-c1cc2n(n1)CCCNC2)N(C)C 72422068 UKGMXAOFYOKNOX-HXUWFJFHSA-N 364.497 2.851 0 50 FFAA O=C(c1cc(Cl)c2c(c1)OCO2)N1CCNC[C@H]1c1cccc(F)c1 261999578 PTBLBSRDNZNAEK-HNNXBMFYSA-N 362.788 2.995 0 50 FFAA Cc1occc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71765412 TUYHELJYZWLUCJ-KRWDZBQOSA-N 373.497 2.527 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 77422236 DNWIAGFLWVMJKN-QGZVFWFLSA-N 365.412 2.799 0 50 FFAA COc1ccc(C(=O)N2CCC(Oc3cccc(C)c3)(C(=O)O)CC2)o1 72407360 MKZAYNYDIAGLRW-UHFFFAOYSA-N 359.378 2.735 0 50 FFAA CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)/C=C/C(=O)O)c1 13324001 PJLHMQACODTMOY-AATRIKPKSA-N 358.375 2.782 0 50 FFAA c1cn(Cc2noc([C@@H]3CCCO3)n2)c(-c2ccc3c(c2)OCCO3)n1 77451886 WQZKLMIINIAPPQ-AWEZNQCLSA-N 354.366 2.604 0 50 FFAA CCc1nccn1CC(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 221363691 UAQOCRBBYXHKQH-UHFFFAOYSA-N 355.417 2.867 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCN(c2ccc(C)cc2)C[C@@H]1C 82138677 XYDPZUCIHVNNHT-SFHVURJKSA-N 370.497 2.887 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC[C@H](CCC(=O)O)C3)[nH]n2)c1 263454271 UDLQHFRBIGFVJC-CYBMUJFWSA-N 357.410 2.802 0 50 FFAA CC(C)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 17073526 ZZUOLGTVIVDMFF-CYBMUJFWSA-N 355.529 2.945 0 50 FFAA O=C(c1c(F)ccc(F)c1F)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 223641860 BGXZSQLPZKBRDW-KRWDZBQOSA-N 365.355 2.790 0 50 FFAA CCc1ccccc1N1CCN(C(=O)c2cnc(C(C)(C)C)[nH]c2=O)CC1 82155692 QHBCAVRUPKPYAO-UHFFFAOYSA-N 368.481 2.592 0 50 FFAA COCCCN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 426489312 DFEKGIVHJRMIRS-IBGZPJMESA-N 352.425 2.816 0 50 FFAA CC(C)COc1ncccc1C(=O)N1CC[C@@](CO)(c2ccccc2)C1 291332907 VSFJYWNUIVORGT-OAQYLSRUSA-N 354.450 2.893 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 426555516 LUDVSAUZMKMSIV-UHFFFAOYSA-N 354.406 2.883 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(F)c(NC(C)=O)c1 426383029 FJEVWESWIGNTHR-MRXNPFEDSA-N 364.421 2.649 0 50 FFAA Cc1cccc(OC2CN(C(=O)CN3CC4(CCCCC4)CC3=O)C2)c1 95517658 HEWYZQUHVWJOEV-UHFFFAOYSA-N 356.466 2.767 0 50 FFAA COc1ccccc1CN(CCO)C(=O)c1cccc(-c2ncc[nH]2)c1 97729806 WJVSWNNPDADPSH-UHFFFAOYSA-N 351.406 2.720 0 50 FFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)c1cn2ccsc2n1 91707110 JVOMRXMDERIMGQ-UHFFFAOYSA-N 361.333 2.654 0 50 FFAA Cc1cc(F)ccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95505912 GXOXFOGAKGKNTA-MRXNPFEDSA-N 358.461 2.912 0 50 FFAA COCc1noc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 180158757 RPMWRISFZVBXIJ-CHWSQXEVSA-N 357.332 2.543 0 50 FFAA Cc1cccc(OCC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95507203 FFXYSRGZPOLXEB-SFHVURJKSA-N 370.497 2.538 0 50 FFAA Cc1ncsc1C(=O)N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95531727 HIDCUCQYWJXXDC-OAHLLOKOSA-N 361.515 2.620 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc2sc(N)nc12 95499100 JMQOETGYTZATSM-GFCCVEGCSA-N 355.467 2.940 0 50 FFAA O=C(c1cccc(OC2CCN(c3nccs3)CC2)c1)N1CCOCC1 95509329 DYNSYJZPGPLKGD-UHFFFAOYSA-N 373.478 2.663 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)nc3sccn23)C1 95501178 TVRZBFQQDUZDCY-LJQANCHMSA-N 353.447 2.950 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CC(OCc3ccccc3F)C1)CO2 92107265 ONFXWOPNPPBDMU-INIZCTEOSA-N 371.408 2.813 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 97551398 JCWJJGLETUKVST-AWEZNQCLSA-N 351.410 2.611 0 50 FFAA O=C(NC[C@H](CO)Cc1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 96164749 MWGLOAFXHOYCHX-SNVBAGLBSA-N 354.309 2.574 0 50 FFAA CCc1nnc(-c2ccc(OC)c(NC(=O)N[C@@H]3CN4CCC3CC4)c2)o1 96139782 QZOYUDANELVVFL-OAHLLOKOSA-N 371.441 2.523 0 50 FFAA CCN1CCC(CC(=O)NC[C@H](c2cccnc2)N2CCCCC2)CC1 95519011 BXWYDLBSCWTLLW-HXUWFJFHSA-N 358.530 2.847 0 50 FFAA O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc2nccn2c1 182057934 RCHQHVSUYSYJEG-UHFFFAOYSA-N 350.422 2.543 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)nc1C 299467453 YAPAMUGCOYMCRU-UHFFFAOYSA-N 358.486 2.935 0 50 FFAA O=C(NCC1CCN(C(=O)c2ccccc2)CC1)Nc1ccncc1F 184134439 FRFUNCMRCYLLQB-UHFFFAOYSA-N 356.401 2.895 0 50 FFAA Cc1cccnc1NCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 534589000 BYHIBYAAEZQYBM-LJQANCHMSA-N 367.497 2.718 0 50 FFAA CCCC(=O)Nc1cccc(NC(=O)N2CCN(CCSC)CC2)c1 299772373 ZWYGOHBTLPRXIC-UHFFFAOYSA-N 364.515 2.938 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cc[nH]c1C)CC2 299779394 REMSIBDPFCREBJ-RIFZZMRRSA-N 355.438 2.949 0 50 FFAA CC[C@@H](COC)NC(=O)c1cnn(-c2nccc(-c3ccc(C)o3)n2)c1C 299778612 NQNNJHWCRKYNNH-AWEZNQCLSA-N 369.425 2.694 0 50 FFAA O=C(CCN1CCCCC1=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 828057223 XBXNUDVHNCVVPE-GOSISDBHSA-N 360.454 2.976 0 50 FFAA C[C@H](CN1CCCCC1)c1nc(C2(c3ccccc3)CC2)nn1CCO 828776616 ALOVECXGHUNRNB-QGZVFWFLSA-N 354.498 2.940 0 50 FFAA O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1nc(-c2ccccc2)n[nH]1 874265939 CJWTUICXBWRHOV-UHFFFAOYSA-N 372.379 2.800 0 50 FFAA C=CC(=O)NC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 1875383221 LNGZQNPUIXWXPH-RTBURBONSA-N 370.493 2.928 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 1875365617 GMDYKWWZPRYXNX-UHFFFAOYSA-N 372.856 2.948 0 50 FFAA Cn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)C3CC4(CCCCC4)C3)CC1)O2 1875394616 PJKHOKOSJANRBZ-MRXNPFEDSA-N 373.497 2.958 0 50 FFAA Cc1nc(C(=O)N2CCC(C3CCCC3)CC2)nc(N2CC[C@@H](N)C2)c1C 1875401599 MCOLWVMCVHXREH-GOSISDBHSA-N 371.529 2.673 0 50 FFAA COCCn1cnnc1CN(C)C(=O)c1ccc2c3c([nH]c2c1)CCCC3 952990235 WTYMZPYIRDIGEK-UHFFFAOYSA-N 367.453 2.557 0 50 FFAA O=C(CCc1ccccc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565529089 XSMXQOJZDHWVFN-AEFFLSMTSA-N 369.490 2.725 0 50 FFAA CC(C)n1cccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565508149 SIBBQQHVXAKFRW-ZBFHGGJFSA-N 372.494 2.789 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(c1ncnc3[nH]ccc13)CC2 275894584 ZUVZZPCMYKSRLP-AWEZNQCLSA-N 354.483 2.905 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)Cc2n[nH]c3c2CCCC3)cc1F 188369219 PVNHYNOYJARCHG-UHFFFAOYSA-N 367.428 2.781 0 50 FFAA CCc1ccccc1CC(=O)Nc1ccc2c(c1)CCN2C(=O)COC 188594221 ZITCDOYLRZVSLH-UHFFFAOYSA-N 352.434 2.966 0 50 FFAA Cc1cccc(C[C@@H](CO)NC(=O)c2c[nH]nc2-c2c(F)cccc2F)c1 191235848 FDDQNYCGUYSKCP-AWEZNQCLSA-N 371.387 2.997 0 50 FFAA CCc1nc(C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(OC)c3)CC2)n[nH]1 191556907 WZLDRZOJTIDPRI-DLBZAZTESA-N 354.454 2.885 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3ccc(F)cc3Cl)C[C@@H]2CC1=O 1529118417 KTRHFBQXDBUPJZ-VNHYZAJKSA-N 352.837 2.737 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCCc1ccc(OC)cc1)C2 222002404 GMRGEUIJITYHCI-MSOLQXFVSA-N 358.482 2.877 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(Cc3cc(OC)ccc3-n3cccn3)CCN21 1615964638 HYTXWRRIRZJMHH-MOPGFXCFSA-N 370.497 2.566 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCCN1C 11662835 RTGCUCNWPSJHSX-IBGZPJMESA-N 352.482 2.819 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@H]3c3n[nH]c(=O)[nH]3)c(C)o2)ccc1F 11949708 ADDWQDMXQLFVTB-AWEZNQCLSA-N 373.388 2.546 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccco1 12466629 WFIBTOBMUVSSKI-GFCCVEGCSA-N 352.312 2.829 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@@H]3C(=O)NCCc2ccccn2)o1 12508576 DIRJTSJHWPZGDL-LJQANCHMSA-N 353.466 2.944 0 50 FFAA CCn1cc([C@@H]2C[C@H]3CN(c4cccc(OC)c4)C(=O)[C@]34CCCN24)cn1 12591749 NYUBVMHQWYFAGM-LRQRDZAKSA-N 366.465 2.854 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)c1 12711797 MXFGGUSVCMYSBN-QFIPXVFZSA-N 372.509 2.936 0 50 FFAA CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)s1 13745136 YAKJQVURJMMLMV-UHFFFAOYSA-N 370.521 2.519 0 50 FFAA COc1cccc(-n2nnc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C)c1 16622661 GJAVTGYTCUCXFZ-UHFFFAOYSA-N 371.485 2.623 0 50 FFAA Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccnc4)n3n2)cc1C 169778571 QAVQAMDXHIJIFK-UHFFFAOYSA-N 358.405 2.733 0 50 FFAA COc1ccccc1CN(CCO)C(=O)C[C@H]1CCOc2ccccc21 117971249 YHZWQHYLEASWAG-MRXNPFEDSA-N 355.434 2.973 0 50 FFAA CNC[C@@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 237153204 OPRPIFBLNNNCNF-SFHVURJKSA-N 364.449 2.737 0 50 FFAA CCOc1cc(CNC(=O)N2CCC(c3cnc[nH]3)CC2)ccc1OC 378050263 AHFYJLLDJNKYML-UHFFFAOYSA-N 358.442 2.906 0 50 FFAA CCN(C(=O)c1coc(-c2cccnc2)n1)[C@@H]1CCN(CC(F)(F)F)C1 912482639 IYWCSAGNINMYDN-CYBMUJFWSA-N 368.359 2.835 0 50 FFAA CC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 18122499 QNIDXHBXCFZRMF-AWEZNQCLSA-N 351.244 2.813 0 50 FFAA CO[C@H]1CCC[C@@H]1S(=O)(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 2325819264 QGTKBTDVKTWIDG-ROUUACIJSA-N 363.483 2.667 0 50 FFAA CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 711242 ZXOMINDCJKYFOL-KRWDZBQOSA-N 350.418 2.809 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC 753125 SVODLOHQHOXFMB-ZDUSSCGKSA-N 369.215 2.649 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)CCc2ccc(C)cc2C)C1=O 2356146309 AKPOWVBTOPKUMR-JOCHJYFZSA-N 372.509 2.866 0 50 FFAA O=C(c1csc(-c2ncccn2)n1)N1CCC(OC(F)(F)F)CC1 2356150385 ZRKQFDOMYOFSKS-UHFFFAOYSA-N 358.345 2.741 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cccc(CC(F)(F)F)c1 2356150823 AUOMVVCMQBSBLK-SFHVURJKSA-N 370.415 2.741 0 50 FFAA CC(C)NC(=O)c1cccc(Nc2ncc3c(n2)[C@]2(CCCNC2)CC3)c1 2356154661 DWNNARNRYLZAPT-OAQYLSRUSA-N 365.481 2.926 0 50 FFAA O=C(NCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 4140932 VMEJKWAKSCAORW-UHFFFAOYSA-N 357.841 2.904 0 50 FFAA CCc1cccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)O)c1 4823770 MDJLEOWPDPYOCQ-UHFFFAOYSA-N 359.378 2.982 0 50 FFAA CCn1c(=O)c2ccccc2n(Cc2ccc(Br)cc2)c1=O 6670030 ZJYGHHDKITUBED-UHFFFAOYSA-N 359.223 2.994 0 50 FFAA CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ncccn1 281113823 HJSORUUJEUKYGN-AWEZNQCLSA-N 358.829 2.645 0 50 FFAA Cc1cccc(-c2ncc(CNCCc3nc(-c4ccncc4)n[nH]3)cn2)c1 55327147 VMXQVBWNRMRDLA-UHFFFAOYSA-N 371.448 2.964 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610320 ZZTQZUFDUGOPRC-CYBMUJFWSA-N 372.918 2.797 0 50 FFAA C[C@@]12CCC(=O)N1c1cc(F)ccc1-c1nc(=O)c(-c3ccccc3)nn12 170620115 MJYCYUPWNLYPAB-HXUWFJFHSA-N 362.364 2.925 0 50 FFAA CC(C)NC(=O)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 67673399 CFRVOOHYELRIDS-UHFFFAOYSA-N 363.417 2.904 0 50 FFAA COc1cc(CN[C@H]2CCCO[C@@H]2c2nccn2C)c2c(c1)C[C@H](C)O2 328630712 JPMQLLJEDOXTCR-IXDGSTSKSA-N 357.454 2.762 0 50 FFAA O=C(CCn1cncn1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77379368 UKLXUAFKUUANGA-OAHLLOKOSA-N 368.416 2.604 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2CCc2ccc(F)c(F)c2)n1 328625634 DJRFVIVYSNBFAX-OAHLLOKOSA-N 362.380 2.620 0 50 FFAA CSc1ccc(CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1 72480427 RBQZSSJTGZMMDU-MRXNPFEDSA-N 359.543 2.978 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC([C@H](O)c2ccccn2)CC1 215993740 GVMGSEMTCMJSFK-IBGZPJMESA-N 360.841 2.955 0 50 FFAA OCCOc1cccc(CN2CCCN(Cc3cccc(F)c3)CC2)c1 72454275 KKCKFUDPIHHCPI-UHFFFAOYSA-N 358.457 2.905 0 50 FFAA Cc1cc(C)n(C[C@H](C)Nc2nccc(-c3cc(C(=O)O)ccn3)n2)n1 77472617 RYZWWJBLYHXZDV-LBPRGKRZSA-N 352.398 2.551 0 50 FFAA CCCc1nc(C(=O)N2CCc3cnccc32)nn1-c1ccccc1F 173067244 YQQNZHLWXFUIEI-UHFFFAOYSA-N 351.385 2.957 0 50 FFAA CC(C)N(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71748306 MKKPIOBBUTYWPC-IBGZPJMESA-N 358.530 2.625 0 50 FFAA CC(C)Cc1cc(CNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc23)on1 216182628 QFZJIYIJRQQSGW-LBPRGKRZSA-N 354.410 2.530 0 50 FFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 240757068 HWBUJARBXQITBC-RDBSUJKOSA-N 367.243 2.639 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)c2ccc(N(C)CCO)cc2)CC1 77439161 HKOMTWVNWNUKHS-UHFFFAOYSA-N 367.493 2.776 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cc1 285913635 KJRQPZCRWBYWKE-QZTJIDSGSA-N 368.458 2.795 0 50 FFAA COc1cccc2c1OCCCN(C(=O)CCc1c(C)nn(C)c1C)C2 82106622 KDUHEJYGCQUOLB-UHFFFAOYSA-N 357.454 2.789 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3cccc(F)c3F)C2)CCC1=O 82099900 OTXJRRZNXICKQC-IBGZPJMESA-N 352.425 2.816 0 50 FFAA O=C([C@H]1CCC[C@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 223489130 VCMUYWSNSFQSJP-RDJZCZTQSA-N 370.415 2.901 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)cc1 40286756 VAOLBHGLJXQFQD-GFCCVEGCSA-N 350.378 2.563 0 50 FFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1snc(O)c1Cl 292396003 IVVWCYMOVCARIL-SECBINFHSA-N 355.822 2.898 0 50 FFAA CCc1noc(CNC(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)n1 426486059 HPWVECXLCUIGNV-CYBMUJFWSA-N 362.405 2.772 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)N1CC[C@@]2(O)CCCC[C@H]2C1 426438951 WVCRHCQUOPFIHZ-KXBFYZLASA-N 356.426 2.573 0 50 FFAA COc1ccc(Cl)cc1-n1nc(C2CC2)nc1CCc1nncn1C 97681885 WKHYRUHMPVZIJK-UHFFFAOYSA-N 358.833 2.720 0 50 FFAA CC1=CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)CC1 97716757 LNQQZJLHQFAWPR-UHFFFAOYSA-N 357.435 2.675 0 50 FFAA O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cnc2ccccn2c1=O 97087908 JEPYYTGNNAGMGK-QZTJIDSGSA-N 363.417 2.562 0 50 FFAA Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)CC2)c1 95368654 DKTYYSMJCHMOAF-QGZVFWFLSA-N 373.497 2.758 0 50 FFAA O=C(c1ccc[nH]c1=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91350920 OTJGCDLSLSTVSM-RBUKOAKNSA-N 365.477 2.544 0 50 FFAA CCN(CCOc1cccc(Cl)c1)C(=O)CN1CC(C)(C)CC1=O 95519914 KZCBBPUMJGDWLA-UHFFFAOYSA-N 352.862 2.826 0 50 FFAA Cc1ccccc1OCCCN(C)C(=O)Cn1[nH]c2ccccc2c1=O 97674080 LKRQGYGFWBPUIB-UHFFFAOYSA-N 353.422 2.566 0 50 FFAA CC(C)=CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccccn1)CC2 97213137 WCPIMNZNGOQCQS-UHFFFAOYSA-N 365.481 2.761 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1csc(Cc2ccccc2)n1)C(=O)O 95523890 LBRBSUFZFLAYMT-MRXNPFEDSA-N 370.434 2.630 0 50 FFAA CCCCc1c(C)nc(N)nc1N1CCN(Cc2ccc(C)cc2)C(=O)C1 91416920 BUMVJTXXILZHPJ-UHFFFAOYSA-N 367.497 2.867 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(C(=O)CCC3(C)CC3)CC2)n1C 92036827 UYLYKPZWQVDWAO-UHFFFAOYSA-N 370.501 2.655 0 50 FFAA c1cnn(-c2ccc(N3CCC(NCCCn4ccnc4)CC3)cc2)c1 96879133 SQQXXULGZZIMSK-UHFFFAOYSA-N 350.470 2.718 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1n[nH]cc1Cl 244773701 PEXWFAIYLVPCSZ-PVXIVEMSSA-N 356.813 2.853 0 50 FFAA CCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1OC 298726103 KDJYHOUMBAKABZ-OAHLLOKOSA-N 371.441 2.674 0 50 FFAA COc1cccc([C@H]2C[C@H]2C(=O)NCc2ccc(OC)c(C(=O)O)c2)c1 299752558 UOQSGCROFATVFO-HZPDHXFCSA-N 355.390 2.822 0 50 FFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCOC[C@@H]3C(=O)O)s2)c(C)c1 299747294 CLTBMAZVNZEJST-CQSZACIVSA-N 360.435 2.661 0 50 FFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1cc(F)cc(F)c1 263616625 JULIEBCXWGLCKR-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA CN(C(=O)NC1(CN2CCOCC2)CCCC1)[C@H](c1ccccn1)C1CC1 534670045 FGOCZIKABXGESH-IBGZPJMESA-N 372.513 2.819 0 50 FFAA CC(C)=CCN1CCc2nc(C(=O)NCc3sc(C)nc3C)cn2CC1 1940194714 IPGUFMXALRQKQR-UHFFFAOYSA-N 373.526 2.711 0 50 FFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100332232 HWTUKDWYHZKAKP-RJVLYZLMSA-N 371.746 2.912 0 50 FFAA Cc1cc(C)cc(N2CCC(N3CC[C@H]4[C@H](C3)OCc3cnnn34)CC2)c1 299783037 NGESNVFQTXHJHJ-SFTDATJTSA-N 367.497 2.710 0 50 FFAA CC(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 824971765 XQTLXPIESGSQME-AWEZNQCLSA-N 353.422 2.721 0 50 FFAA CCc1nc(CCNC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)no1 584890448 DSGQDGQPLWQGQW-CYBMUJFWSA-N 369.425 2.905 0 50 FFAA C[C@@H](NC(=O)CCCN1CCCCC1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670443380 QTOWBDOCXKYKAZ-XRZHQBHLSA-N 362.514 2.615 0 50 FFAA COc1ccc(CN[C@H](CCc2ccncc2)C(=O)O)cc1OC(F)F 1875279300 OEACXNCUFHXBSE-CQSZACIVSA-N 366.364 2.867 0 50 FFAA C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccccc2CC(N)=O)C1 1875252705 WRCARSWOXQFMNS-CRAIPNDOSA-N 366.465 2.671 0 50 FFAA CC(C)(C)[C@H]1CC(C(=O)N2CCc3cc(O)ccc3[C@H]2C2CC(=O)C2)=NO1 1875320897 YXZVWBCUVVWDDU-RTBURBONSA-N 370.449 2.988 0 50 FFAA Cc1ccc(CCNC(=O)c2cc(=O)nc(-c3ccc(Cl)cc3)[nH]2)nc1 1875360029 WWAZSUOUYZIKQC-UHFFFAOYSA-N 368.824 2.766 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1ccc(C(N)=O)cc1 1875398685 BIFYZQYVTDBVOZ-IAGOWNOFSA-N 369.469 2.637 0 50 FFAA Cc1ncnc(NC(C)(C)CNC(=O)C2(Oc3ccccc3)CC2)c1F 1875407619 DZLAQMQZGGYYLS-UHFFFAOYSA-N 358.417 2.842 0 50 FFAA O=C(c1cc(-c2cccs2)[nH]n1)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 888088293 HAAMNCAETCKXRY-XEZPLFJOSA-N 370.478 2.611 0 50 FFAA COc1ccc(CC(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)c(OC)c1 952974304 BLNWYXLTHKXFNG-LLVKDONJSA-N 355.394 2.815 0 50 FFAA CCCOc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)NCCN1C(C)C 952990947 YIEMOOKTMAKNQS-OAHLLOKOSA-N 367.877 2.666 0 50 FFAA CCNc1ncc(CN2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)cn1 1565512788 GPUSZBAQJVXOGZ-AEFFLSMTSA-N 370.501 2.610 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCC(Nc2ccncc2Cl)CC1 301531434 RYQXTIRBQPGFOJ-SFHVURJKSA-N 373.840 2.978 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@H](C)OC2CCCCCC2)CC1 186629259 KFVQWORHZABVNG-HNNXBMFYSA-N 354.491 2.512 0 50 FFAA COc1ccc2sc(C(=O)NCCc3nnc(S)n3C)c(C)c2c1 170640893 MZHCOGURXHZYHJ-UHFFFAOYSA-N 362.480 2.608 0 50 FFAA C[C@@H](OC(=O)c1cccc2nn[nH]c12)C(=O)N[C@H](C)c1ccc(F)cc1 170610707 DQGGKZHQHZEOFR-GHMZBOCLSA-N 356.357 2.520 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCCCc1c(C)n[nH]c1C 1506409874 UUKHKWQCAMBEON-UHFFFAOYSA-N 351.472 2.563 0 50 FFAA Cn1ccc2c(C(=O)N3CCCN(C[C@H]4CCCOC4)CC3)cccc21 1529180226 DXRWIMGGEZUDBV-QGZVFWFLSA-N 355.482 2.753 0 50 FFAA CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(c2ccccc2)C1=O 1163559 AEFKEYSHWUUOHJ-FOWTUZBSSA-N 366.373 2.726 0 50 FFAA Cc1cccc(-c2noc(CCCc3nc(C)nn3-c3cnn(C)c3)n2)c1 1772809469 XDQRLIZGZUQMQW-UHFFFAOYSA-N 363.425 2.843 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3C[C@H]4CCN(C)C(=O)[C@H]4C3)oc12 1772813235 YJHREQRRXBHIKD-MFKMUULPSA-N 362.813 2.645 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 5102790 DWFSGOPJXVUDSX-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCc1nccn1CCC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 11936084 YDXPYFVRBVRXDE-KRWDZBQOSA-N 358.461 2.756 0 50 FFAA O=C(NCCc1cccnc1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11937954 MPXSTPYQNZUTQB-FQEVSTJZSA-N 365.477 2.612 0 50 FFAA COc1ccccc1CNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002216 JKHGHYYRJKSUMB-UHFFFAOYSA-N 374.462 2.691 0 50 FFAA O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCC(CCc2ccccc2)CC1 12437476 GFRJSJFXZRKHRR-LJQANCHMSA-N 368.481 2.942 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)CCCn2cncn2)C1 12710116 CSMAAHHANVVECW-OAHLLOKOSA-N 370.501 2.976 0 50 FFAA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3ccsc3)C2)nn1 15007126 BKRDUJKSSFWTSN-MRXNPFEDSA-N 359.499 2.849 0 50 FFAA COc1cccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)c1 169765746 JQLLZXQWTISLRX-GOSISDBHSA-N 351.406 2.959 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)CCCc1ccccn1 1857532572 OPBCUQXBMPSQHR-SJLPKXTDSA-N 369.469 2.721 0 50 FFAA CO[C@H]1CCC[C@@H](CC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1 331063904 WIEFSEIFSMATBR-ZBFHGGJFSA-N 353.484 2.610 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)[C@H]1CCCc2ccccc21 332813309 PXTJCORLBZVBMR-MJGOQNOKSA-N 355.482 2.903 0 50 FFAA CCCc1nc2cccnc2n1C1CCN(C(=O)Cn2nccc2C)CC1 12031585 STRKUISIAMJSAJ-UHFFFAOYSA-N 366.469 2.752 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1cccnc1 247956751 VUIRDCLQCINAER-QUCCMNQESA-N 363.461 2.777 0 50 FFAA COc1ccc2[nH]c(C(=O)N3C[C@@H]4CC[C@H]3CN(C(C)=O)C4)c(C)c2c1 247926667 IPWKABVWKVXHIS-CABCVRRESA-N 355.438 2.568 0 50 FFAA NC1(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CCOCC1 261809703 JLCJLSZTFHUNJZ-VUZGARFFSA-N 362.473 2.908 0 50 FFAA CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(-n4cccc4)ccn3)cc21 499003246 QFCWOZHZANPPJV-UHFFFAOYSA-N 373.416 2.825 0 50 FFAA Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 6668170 USVDFSRNKGQCDE-UHFFFAOYSA-N 352.412 2.848 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)[C@@H](O)c3ccc(Cl)cc3)C[C@H]2C1 2100554926 IDHJQRCJDDNYGL-CENPHQPOSA-N 350.890 2.951 0 50 FFAA C[C@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1cccc2cc[nH]c12 2325806331 HMZNGPCSHQJLAN-INIZCTEOSA-N 363.465 2.562 0 50 FFAA CN1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)c2ccccc21 2325815514 WPAUMMIJXNYNIS-SOLBZPMBSA-N 354.454 2.965 0 50 FFAA COc1cccc(NC(=O)[C@@H](n2cc([C@H](O)C3CC3)nn2)C(C)(C)C)c1 2325851210 RYKUQKBMOOPOLR-IAGOWNOFSA-N 358.442 2.956 0 50 FFAA Oc1nc(N2CCC(c3ccccc3)(N3CCCC3)CC2)nc2n[nH]cc12 896838503 KJOOGRFPADZEJK-UHFFFAOYSA-N 364.453 2.650 0 50 FFAA COC(=O)Nc1sccc1C(=O)NCCc1ccc(OC)c(OC)c1 1054841 IBEZZDGGWBVFGI-UHFFFAOYSA-N 364.423 2.916 0 50 FFAA Cc1c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cnn1C 2792104 NJDNVSCDNUNOGZ-UHFFFAOYSA-N 351.762 2.784 0 50 FFAA NC(=O)CCn1cc(CN(CCO)Cc2ccccc2F)c2ccccc21 55227743 XTQPOJYVXYBDHO-UHFFFAOYSA-N 369.440 2.650 0 50 FFAA Cc1ccc(NC2(C(=O)NCC(=O)Nc3nccs3)CCCC2)cc1 65382636 CDXMANMFFOYADB-UHFFFAOYSA-N 358.467 2.931 0 50 FFAA O=C(Nc1n[nH]c(CCC2CCCC2)n1)c1cc(-c2ccncc2)n[nH]1 170625731 YBCPSYBVCGDXTE-UHFFFAOYSA-N 351.414 2.965 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)Cc1nc2ccc(F)cc2[nH]1 67741056 AFOGWASHCXEWIL-UHFFFAOYSA-N 374.445 2.892 0 50 FFAA Cc1ncccc1OC1(C(=O)N2CCc3sccc3C2)CCNCC1 65503307 KTLAXOJZZYGDAO-UHFFFAOYSA-N 357.479 2.537 0 50 FFAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(C[C@H]1CCNC1)C2 67886490 IDHGMCGPJAVBDV-ZDUSSCGKSA-N 359.857 2.912 0 50 FFAA COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1 20060357 GOEIUMRUUPABDB-IBGZPJMESA-N 356.466 2.566 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCCN(C)c1ccccc1)C2 64486740 SVHOFKXBAVMUJP-KRWDZBQOSA-N 354.450 2.889 0 50 FFAA C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)O1 328632184 RRZYTQWRCPYVPI-NDUPCHFUSA-N 362.518 2.609 0 50 FFAA COCC(=O)N1CCOc2c(cc(-c3ccc(Cl)cn3)cc2OC)C1 11788729 SQAYAADERBUHOG-UHFFFAOYSA-N 362.813 2.778 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(c4cnccn4)C3)C2)c1OC 72447142 BXVXJPLQQGUGDI-OAQYLSRUSA-N 368.481 2.986 0 50 FFAA CC1(C)[C@H]2CC=C(CCNC(=O)CCc3cc4n(n3)CCCNC4)[C@@H]1C2 72457796 OJHNRZYDAAMAIB-LPHOPBHVSA-N 356.514 2.808 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1 72425430 DEHZLUVJEOWHCX-GOSISDBHSA-N 358.482 2.617 0 50 FFAA Cc1csc([C@H](C)CNC(=O)NCc2ccc(-n3ccnc3)nc2)n1 363773827 DABJCARYMKDTDF-GFCCVEGCSA-N 356.455 2.635 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCN(c2nsc3ccccc23)CC1 219690864 CKEFLKQMZMTRDZ-UHFFFAOYSA-N 359.480 2.606 0 50 FFAA FC(F)(F)c1nnc(N2CCN(Cc3ccncc3Cl)CC2)s1 186787247 NRHIWXJVRKHJQU-UHFFFAOYSA-N 363.796 2.928 0 50 FFAA COC(=O)c1coc(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)n1 77391227 XXDAGUQTWINILF-CQSZACIVSA-N 354.366 2.848 0 50 FFAA CCn1ccnc1CN(Cc1cccc2c1OCO2)[C@H]1CC12CCNCC2 261906835 XCFJPWGSCLDYLM-SFHVURJKSA-N 368.481 2.776 0 50 FFAA COCCN(C)c1ccc(CN2CCC(=O)Nc3cc(F)ccc32)cn1 378130545 SOBLGRNIHKKVKZ-UHFFFAOYSA-N 358.417 2.652 0 50 FFAA CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 71662247 DUNYQICYTJOPFJ-DFQSSKMNSA-N 350.466 2.605 0 50 FFAA O=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CC=CC1 71760238 BYSHPGSTJJFLGW-NRFANRHFSA-N 367.537 2.804 0 50 FFAA COc1ccc(C2(C(=O)N3CCn4cncc4C3)CCCC2)cc1OC 72165093 VBVZECDEXWCSNC-UHFFFAOYSA-N 355.438 2.755 0 50 FFAA COC[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccnn1C 72142946 YDPPPKDNIQHIRL-CQSZACIVSA-N 355.446 2.554 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccc(-n2cccn2)cc1 72477036 ADJIHZOXSHSCKL-IBGZPJMESA-N 365.433 2.579 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cn(CC)nc3C)C2)CCC1=O 77554065 DVJNGLRXBCPJCP-FQEVSTJZSA-N 360.502 2.856 0 50 FFAA O=C1NC[C@H]2CN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)CCN12 287751834 LMBBHZWSVFSVSY-KRWDZBQOSA-N 359.445 2.555 0 50 FFAA CC(C)COc1ncccc1C(=O)N1CC[C@](CO)(c2ccccc2)C1 291332906 VSFJYWNUIVORGT-NRFANRHFSA-N 354.450 2.893 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)CN1CCc1c[nH]cn1 82116013 LAYVMHJPPFFEMU-OAQYLSRUSA-N 370.472 2.996 0 50 FFAA CCNC(=O)[C@@H](C)NC(=O)c1cccc(-c2ccc(C(=O)OC)cc2C)c1 426465534 XXNJYUVDNILABQ-CQSZACIVSA-N 368.433 2.703 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NCc1ccccc1-n1ccnc1 223472558 SUTXXWMLHDNCBV-UHFFFAOYSA-N 358.401 2.504 0 50 FFAA c1cncc(CN(CCCn2ccnc2)c2cc([C@H]3CCOC3)ncn2)c1 426552172 ZTVAXDPHNYKXRO-SFHVURJKSA-N 364.453 2.669 0 50 FFAA CCc1c(C)nn(CCNC(=O)c2cc(-c3cccs3)n(C)n2)c1C 220183253 HPBBXUJLAQUDEQ-UHFFFAOYSA-N 357.483 2.954 0 50 FFAA CC1(C)CN(S(=O)(=O)c2cc(C(N)=O)cs2)C[C@H]1c1ccccc1 426388181 QTOADEAIWHBKAY-AWEZNQCLSA-N 364.492 2.661 0 50 FFAA C[C@H](C(=O)N1CCC[C@H](c2nncn2C)C1)[C@H]1OCCc2sccc21 292408856 YVTOLPDVJFJJII-HEHGZKQESA-N 360.483 2.533 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCc3n[nH]c(C)c3C2)C1 426641298 AJVLFOIHTRUFOY-KRWDZBQOSA-N 367.497 2.584 0 50 FFAA COC(=O)[C@]1(c2ccccc2)CCN(c2nc3c(s2)c(C)nn3C)C1 96150314 DOWGAAURINTRMD-GOSISDBHSA-N 356.451 2.659 0 50 FFAA COc1nc2c(cc1C(=O)NCCCSc1nnc(C)s1)CCC2 97495421 CSCCUHZHYZQQNB-UHFFFAOYSA-N 364.496 2.651 0 50 FFAA CC(C)C(=O)Nc1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccn1 293516186 ODVHPYZAQNPFGD-UHFFFAOYSA-N 367.449 2.800 0 50 FFAA CCc1c(C)nn(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1C 95369846 AZTCWZWYMZPQFH-UHFFFAOYSA-N 351.454 2.907 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91906345 RJNRRGXIPCJHLR-LJQANCHMSA-N 368.477 2.915 0 50 FFAA Cc1nc(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cs1 95362394 CDCSNOYJNIFSIM-FUHWJXTLSA-N 356.495 2.512 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2cccc(C(C)=O)c2)CC1 91289274 SKDKAKHLFDRLBW-UHFFFAOYSA-N 355.438 2.752 0 50 FFAA O=C(c1ccc(-n2cnnc2)nc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 97425318 TYRNXJZXNXRUDI-UHFFFAOYSA-N 358.405 2.948 0 50 FFAA CN(C)C[C@H]1C[C@H](CO)CN(Cc2cnn(-c3cccc(Cl)c3)c2)C1 91858133 GWDWGZROFVJEJS-CVEARBPZSA-N 362.905 2.518 0 50 FFAA O=C(NC[C@H](O)COC1CCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1 92065402 HDNVTGDTLMRPBB-HNNXBMFYSA-N 361.417 2.656 0 50 FFAA Cc1cc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n(C)n1 91908461 XHHQXBNXORTRPT-FQEVSTJZSA-N 355.438 2.829 0 50 FFAA CC[C@H](NC(=O)c1cn2cc(C)ccc2n1)c1ccc(S(C)(=O)=O)cc1 91793234 NEROMRQIOFTWLN-INIZCTEOSA-N 371.462 2.927 0 50 FFAA CNc1cc(C(=O)N[C@H](c2cc(F)ccc2OC)[C@H]2C[C@@H](O)C2)ccn1 244700891 JVWAIBHPRMIMEN-WRSAYESZSA-N 359.401 2.513 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(SCCO)cc1 243914700 BJROZCHQPZVBHX-BJLQDIEVSA-N 371.502 2.883 0 50 FFAA COc1ccc([C@H](NC(=O)c2cccc(OC)c2C)[C@H]2C[C@@H](O)C2)cn1 244773777 PGFYUMFMKZWAKA-KHYOSLBOSA-N 356.422 2.649 0 50 FFAA COCC1(CNC(=O)N2CCN(Cc3ccc(F)cc3)CC2)CCCC1 534633632 IIFZFEQEGWPJPC-UHFFFAOYSA-N 363.477 2.860 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)c3cnoc3C)C[C@@H]1N(Cc1ccc(C)o1)CC2 534657457 MKMBYFDFAUTFIQ-MOXGXCLJSA-N 373.453 2.826 0 50 FFAA CCN1CCN(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)[C@H](C)C1=O 299783682 WMCPEYSYDFNVKJ-GFCCVEGCSA-N 361.833 2.610 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCC(N4CCCCC4)CC3)c2)nn1C 299777406 ODZITNYGCJDZHR-UHFFFAOYSA-N 367.497 2.881 0 50 FFAA O=C(O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)C1 299763382 VDFVPQQXTDKEDY-CYBMUJFWSA-N 368.836 2.880 0 50 FFAA C[C@H]1CN([C@@H](C)c2nc(C3(c4ccccc4)CC3)nn2CCO)C[C@@H](C)O1 828776624 BFAXKQBDRGJYGC-BBWFWOEESA-N 370.497 2.521 0 50 FFAA C[C@H](c1ccccc1)c1cc2c(=O)n(CCc3ncnn3C)cnc2s1 670456081 LIRUAFMHRNGZGR-CYBMUJFWSA-N 365.462 2.981 0 50 FFAA O=C(c1cc(C(F)(F)F)cs1)N1CC[C@H](c2cc(O)nc(O)n2)C1 1875285149 DRGIIEWFNVKPHB-ZETCQYMHSA-N 359.329 2.598 0 50 FFAA COc1cc(C(=O)Nc2nnc3cnccn23)cc(Cl)c1OC(C)C 1875270344 IQXZFMZFVKBKLN-UHFFFAOYSA-N 361.789 2.826 0 50 FFAA CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccccc1)C(C)(F)F 1875295666 NKDXHVRIHQAECO-UKRRQHHQSA-N 374.453 2.502 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@@H]2CC1 1875407839 IWMGLQYXEKQVNT-YIYPIFLZSA-N 350.459 2.854 0 50 FFAA C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2OCC2CC2)CS1(=O)=O 888101934 RAYYRINXHKOCPJ-BXUZGUMPSA-N 370.446 2.702 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)c3ccccn3)CC2)CC[C@]1(O)C1CCC1 1565505634 ULUBNMOJKUMIHO-HRAATJIYSA-N 357.498 2.559 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@H](C)Oc3c(Cl)cccc32)cn1 194820016 FHVRNJZFLZVJJD-JTQLQIEISA-N 354.815 2.720 0 50 FFAA COc1ccc([C@H]2CCCCCN2C(=O)Cn2ncc(C)cc2=O)cc1 195430402 HWWAGRYFVDIVSA-GOSISDBHSA-N 355.438 2.704 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cn2)cc1 890261276 WLKGNOABGWOEOT-IBGZPJMESA-N 365.433 2.870 0 50 FFAA O=S1(=O)CC[C@@H](CCN2CCC(c3nc4ccc(F)cc4[nH]3)CC2)C1 1506400301 CDCNWLVYBJTFNB-CYBMUJFWSA-N 365.474 2.706 0 50 FFAA O=C(c1nnc(O)c2ccccc12)N1CCn2cccc2[C@@H]1c1ccccn1 1506407428 VVFMDNDUYYJFGH-IBGZPJMESA-N 371.400 2.777 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1cccc(C(F)(F)F)c1 212815126 WLQNIZROIFJJQJ-WBVHZDCISA-N 369.431 2.690 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CC[C@H]1CN(S(C)(=O)=O)C2 219897391 XCCISUIFGSUGIT-OCCSQVGLSA-N 371.890 2.536 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccccc3OCC(=O)O)C1)CC2 1704312455 BXSLQZUYQLWOCV-OAQYLSRUSA-N 367.449 2.728 0 50 FFAA OCc1nc2ccc(-n3ccnc3-c3cnc(N4CCCC4)s3)cc2[nH]1 1775984020 GQJIUGULQNFKEO-UHFFFAOYSA-N 366.450 2.965 0 50 FFAA CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1 11098711 GYMPBNXQHDKBMV-LBPRGKRZSA-N 372.812 2.685 0 50 FFAA CC(C)(Nc1ccccc1)C(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 913791080 OMEKKZLTZWDUOW-HNNXBMFYSA-N 356.426 2.738 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)Cn1cccn1 12373454 PSTAVSHBSZLEPS-CQSZACIVSA-N 356.474 2.628 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CNCc1cccc(C(F)(F)F)c1 12715716 AANYFUDUGRVKOA-KRWDZBQOSA-N 356.388 2.559 0 50 FFAA O=P(OC[C@H]1CCCO1)(OC[C@H]1CCCO1)OC[C@H]1CCCO1 16969906 YUUDAJZHJYVGCS-RBSFLKMASA-N 350.348 2.681 0 50 FFAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccncc5)n4)c3CO2)cc1 169769432 RVRZDNYCNVKSJC-INIZCTEOSA-N 360.377 2.970 0 50 FFAA COc1cccc(CC(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1 169778380 BIOCHFRHXGGIGQ-UHFFFAOYSA-N 373.416 2.659 0 50 FFAA CSc1ccc2cc(-c3nccn3C[C@H]3COCCO3)c(O)nc2c1 1857692728 RBGPYJXUAKOUPT-ZDUSSCGKSA-N 357.435 2.941 0 50 FFAA Cc1ccc2cc(-c3nccn3CCCN3CCOCC3)c(O)nc2c1 1857693882 QMTQVVMGDOSWSO-UHFFFAOYSA-N 352.438 2.835 0 50 FFAA CCC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C)cn3)C[C@]23CC[C@H]1O3 1857723353 BUDNUMSUPIFWMW-JZJXAQOMSA-N 371.525 2.922 0 50 FFAA COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@H]2C(=O)O)cc1 237286169 SBAGCOZGVRZKAK-ROUUACIJSA-N 360.454 2.688 0 50 FFAA Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)cc(O)n1 132635893 UBSBQDVVTOTSFE-UHFFFAOYSA-N 368.462 2.663 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCN(C2CCOCC2)C[C@@H]1C 252484539 FYWVARNNASKBEZ-HNNXBMFYSA-N 355.482 2.731 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(Cl)o1 151180782 HJYDWUJBDLWCPZ-UHFFFAOYSA-N 369.830 2.755 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@@H](c2cccs2)C1)NC(=O)C1CCCC1 161525586 HNCWDDZCPIMMPB-DZGCQCFKSA-N 350.484 2.733 0 50 FFAA C[C@H]1CN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)CCS1(=O)=O 266968008 VWGQTPZLHCOWFJ-VHSXEESVSA-N 350.267 2.742 0 50 FFAA CN(C)Cc1cc(-c2noc(-c3cccc4nc(CO)[nH]c34)n2)ccc1F 2325860107 XWYQJONKKOAGNB-UHFFFAOYSA-N 367.384 2.973 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@@H]2c2cccs2)CC1 2325888413 QRNNKJQUIWOWQJ-CQSZACIVSA-N 350.509 2.789 0 50 FFAA CCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1 1131372 FSTMZBGKAUYQOV-QGZVFWFLSA-N 363.435 2.888 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1ccccc1OC)S(C)(=O)=O 1135213 QTFIBIHNBWBNHY-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccc(O)nc3C(C)C)CC2)ccn1 2356158747 XWQGZBOIEGKSML-UHFFFAOYSA-N 354.454 2.967 0 50 FFAA CC(=O)O[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 4535998 UNEWPABCEADDIA-LJQANCHMSA-N 356.397 2.779 0 50 FFAA Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 6715276 SWCZIKSBMQDXIG-UHFFFAOYSA-N 352.406 2.784 0 50 FFAA CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)o2)s1 8914209 KMZAQYOHIQARCP-UHFFFAOYSA-N 351.413 2.783 0 50 FFAA Cc1nc2c(-c3ccccc3)cnn2c(NCCN2CCOCC2)c1C 20547484 WTPCJMMCHGOXJX-UHFFFAOYSA-N 351.454 2.757 0 50 FFAA CCn1c([C@H]2CCCN(C(=O)CC(C)(C)c3ccccc3)C2)nn(C)c1=O 67696935 WYNXXMREYLDRAT-INIZCTEOSA-N 370.497 2.676 0 50 FFAA O=C(NCCc1ccccc1Cl)N1CCN(Cc2cccnc2)CC1 63070081 BUVABTOFLXDTMJ-UHFFFAOYSA-N 358.873 2.805 0 50 FFAA Cc1ccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)nn1 63868808 SFBQMAILGINEHB-UHFFFAOYSA-N 373.420 2.532 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCN(CCO)CC1 20997904 KQWAYDDKTGQXEX-LJQANCHMSA-N 372.896 2.999 0 50 FFAA CCCn1cnnc1-c1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O 65493244 YVAJQENATRFWPG-LBPRGKRZSA-N 370.844 2.801 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2[C@H]1c1ccccn1 20166676 TVTIIWDAMPBCLS-AZUAARDMSA-N 360.417 2.673 0 50 FFAA O=C(NCc1cc(-c2ccccc2)on1)NCc1ncnn1-c1ccccc1 471833422 MNHFMQIHTAZMTD-UHFFFAOYSA-N 374.404 2.922 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)NCCc3cccs3)cnn2c1 67983451 HXOTXUJZESUOSK-UHFFFAOYSA-N 357.483 2.605 0 50 FFAA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(C2CC2)nc2ccccc12 121305289 BICIMMBOWISVRO-CHWSQXEVSA-N 358.463 2.760 0 50 FFAA Cc1noc(CCCN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328645209 SCUUCEIGDICRRA-GFCCVEGCSA-N 357.380 2.720 0 50 FFAA Cc1noc(C)c1CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328623628 CABIAWLXVGNZKB-GJZGRUSLSA-N 365.474 2.966 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 12090211 KYSWONNBQHRQBC-OAHLLOKOSA-N 360.845 2.602 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1cc(COC)nc(C(C)(C)C)n1 328641850 YCQZXSHLLBOTRB-KBXCAEBGSA-N 373.501 3.327 0 50 FFAA O=C(O)CCCCCC[C@@H]1C(=O)NC(=O)N1CC[C@@H](O)C1CCCCC1 4257977 ZIDQIOZJEJFMOH-HZPDHXFCSA-N 368.474 2.663 0 50 FFAA biogenic,in-vitro CCc1cc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)nc(N(C)C)n1 77419485 IYFSNMOVBSNLSW-HXUWFJFHSA-N 359.518 2.722 0 50 FFAA CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@@H]1CCCO1 71762026 NMTNCJAGBADPHB-AWEZNQCLSA-N 362.499 2.633 0 50 FFAA OCc1ccc(CN2CCc3[nH]cnc3[C@@H]2COCc2ccccc2)o1 71760066 RHASKEDZLWIHAE-IBGZPJMESA-N 353.422 2.811 0 50 FFAA CC[C@H]1CN(C(=O)CCN2CCCC2)CCC(=O)N1Cc1ccccc1 71774993 XZACUULEIGYGFX-IBGZPJMESA-N 357.498 2.512 0 50 FFAA CC(C)n1ncnc1CN1CCN(Cc2nc3ccccc3s2)CC1 333018942 HVGHVEAACSTNFF-UHFFFAOYSA-N 356.499 2.787 0 50 FFAA Cc1ccc(S(=O)(=O)CCC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)cc1 219421409 XCPULKURZBRHLK-QGZVFWFLSA-N 374.506 2.952 0 50 FFAA CC(=O)N1C[C@@H](CCC(=O)Nc2c3c(nn2C)CCC3)c2ccccc21 364091930 JQRZGTOEVQIFCH-CQSZACIVSA-N 352.438 2.778 0 50 FFAA CCn1cccc(NC(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1=O 333592247 BCQHQAITZVRXQI-HXUWFJFHSA-N 367.405 2.510 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cnc4ccnn4c3C)C[C@H]2N(C)C)cc1 77487364 ZGEQHVMZBUNXPZ-RBUKOAKNSA-N 363.465 2.516 0 50 FFAA Cc1cc2cc(C(=O)N3CCC(C(=O)O)(n4ccnc4)CC3)ccc2o1 72462815 NVTZBLSRMNUWLB-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA C[C@@H]1C[C@H](NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCN1 262891029 ORCYHYMVQADGAT-CRAIPNDOSA-N 372.490 2.531 0 50 FFAA COc1ccc2[nH]c(=O)c(CN3CCC(Cn4ccnc4C)CC3)cc2c1 215160337 ZUWWOMDOJFWOHI-UHFFFAOYSA-N 366.465 2.954 0 50 FFAA COc1ccc(N[C@H](C)c2nc(-c3ccccc3)no2)cc1OCC(N)=O 130230719 PPJPTTWNJWPYBG-GFCCVEGCSA-N 368.393 2.782 0 50 FFAA CO[C@H]1C[C@@H](NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C12CCC2 459527528 MRPVOUHSGQCODT-KGLIPLIRSA-N 372.874 2.823 0 50 FFAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1ccccc1F 72117596 LJOYRPOSCXTZJH-UHFFFAOYSA-N 364.808 2.665 0 50 FFAA Cn1nccc1[C@H]1[C@H](Nc2nc3cc(F)ccc3o2)CC(=O)N1C1CC1 284975826 SCHACWQZNLPLPY-CXAGYDPISA-N 355.373 2.617 0 50 FFAA Cc1ccncc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 71759322 RCFZQAHHGYYXME-UHFFFAOYSA-N 374.448 2.507 0 50 FFAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)o1 287572218 NEHPDMZWLRXZQA-WQVCFCJDSA-N 370.453 2.805 0 50 FFAA Cc1cc(N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)ccn1 72408951 HQMOSDCZHRGBGF-QGZVFWFLSA-N 354.502 2.888 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nnc2n1CCCC2 176417683 GVDLSKOFINKRCX-OAHLLOKOSA-N 368.437 2.639 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 17075307 YPOSDLDRIMNGKU-UHFFFAOYSA-N 366.508 2.653 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)CSc2ncccn2)cc1 220196559 ARKFZMGFEZWXEZ-KRWDZBQOSA-N 356.495 2.994 0 50 FFAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1ccn(-c2ccc(F)cc2)n1 178076033 GLGUKFQFKSOGGD-UHFFFAOYSA-N 371.393 2.594 0 50 FFAA O=C(NCc1nnc2ccccn12)Nc1ccccc1OC[C@H]1CCCO1 96138773 RHNUYXUWDFPQQW-CQSZACIVSA-N 367.409 2.609 0 50 FFAA Cc1ccc(C(N)=O)cc1NC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 180054537 KFXNCBSCNKFPQC-UHFFFAOYSA-N 352.369 2.979 0 50 FFAA CCCC[C@@H](CC(=O)O)NC(=O)N1CCN(c2cc(C)nc(C)c2)CC1 426371969 GRDXEXISRYAHRR-INIZCTEOSA-N 362.474 2.564 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cc2)CC1)NCCC1=CCCCC1 22751885 YYRMMJHPFIXPDG-UHFFFAOYSA-N 359.489 2.950 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(Cc3sc(C)nc3C)C[C@H]21 95518360 MKIUKGZYBRRCGT-AUUYWEPGSA-N 374.462 2.831 0 50 FFAA CN(CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1)c1ccccc1 91656215 HRFGIHJJGSONAZ-ZWKOTPCHSA-N 356.397 2.589 0 50 FFAA CCOc1ccccc1[C@@H](C(=O)O)N1CCCN(Cc2cccnc2)CC1 95382375 GJUMESUUPPBLAU-FQEVSTJZSA-N 369.465 2.814 0 50 FFAA COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCC3(CCCC3)C2)c1 95506719 WFYJIUONXQKFGR-SFHVURJKSA-N 362.514 2.763 0 50 FFAA C[C@H](C1CCN(C(=O)Nc2cccc(N(C)C)c2)CC1)N1CCN(C)CC1 96150498 WSFQJTTUWNHGNL-QGZVFWFLSA-N 373.545 2.632 0 50 FFAA CCC(CC)n1c(=O)n(Cc2cncs2)c2cc(C(=O)OC)cnc21 95518987 XTVQLPKMCVHPKN-UHFFFAOYSA-N 360.439 2.851 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cc(-c2ccccc2)ns1 295240408 LPGLMYRHSYIRNE-LBPRGKRZSA-N 350.465 2.964 0 50 FFAA COc1cc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)nc2ccccc12 91602380 DNPSIBODIYITFK-UHFFFAOYSA-N 367.449 2.718 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 239412400 SQNVBHQZGNPWIE-COLVAYQJSA-N 362.813 2.540 0 50 FFAA CCCOc1ccccc1CN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 230119920 XMPNKPWSGURSOS-OAQYLSRUSA-N 359.514 2.604 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(OC)c1)CC2 91391289 REHYCQKYPFVAMG-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA O=C(Nc1ccc2[nH]ncc2c1)N1CCN(CCOc2ccccc2)CC1 95510055 ATQABWIDDSQXRA-UHFFFAOYSA-N 365.437 2.791 0 50 FFAA CCOc1ccc2nc(-c3cn([C@@H](C)c4nnc(N)s4)nn3)ccc2c1 91434743 UCXPQTNNPVHYGP-JTQLQIEISA-N 367.438 2.935 0 50 FFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NC3CCCCCCC3)ccc21 95352062 UJNXZZXJWYWNOK-KRWDZBQOSA-N 370.497 2.987 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)c3cnn(CCC(F)(F)F)c3)C2)n1 182322185 IVLPJPWOJCGYRN-NSHDSACASA-N 357.336 2.547 0 50 FFAA Cc1cc(CC(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)on1 240825224 QOEDPVUPKKZEFU-PTSWNOGYSA-N 351.406 2.702 0 50 FFAA CO[C@H]1O[C@H]2CC[C@@H]3[C@@H]2[C@H]2[C@H]4[C@H]5[C@@H]6[C@@H]7CC[C@H]8O[C@@H](OC)[C@@]([C@H]34)([C@H]5[C@@H]78)[C@]162 247823620 FAGBTYMPISAHPZ-XAHMSONESA-N 356.462 2.519 0 50 FFAA O=C(O)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1cccs1 299741655 ABRONSZMLVSRIH-NSHDSACASA-N 362.432 2.738 0 50 FFAA Cn1nc2c(c1NC(=O)CCCc1nc(O)c3ccccc3n1)CSC2 252496886 PTTZQTOOWYMKDD-UHFFFAOYSA-N 369.450 2.777 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cnc(C)nc1)CC2 299776514 CSUJVOLADCTSKV-CMKODMSKSA-N 354.454 2.771 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc2cccc(F)c2n1 299787337 QDWJTSFIYGDZMS-UHFFFAOYSA-N 370.428 2.784 0 50 FFAA O=C(N1CC[C@@H](Oc2ccccc2)C1)C1(c2ccccc2)CCNCC1 299768623 YLTQTMOOFZFWRV-HXUWFJFHSA-N 350.462 2.988 0 50 FFAA O=C1CCN(C/C(Cl)=C/c2ccccc2)CCN1CCN1CCCC1 299792817 FWFXAMMJGVWGED-MNDPQUGUSA-N 361.917 2.896 0 50 FFAA Cc1ccc([C@H](NC(=O)CSc2nncn2C)c2cccnc2)cc1C 827992345 LLEKULSXANEARL-SFHVURJKSA-N 367.478 2.825 0 50 FFAA CCc1cccc(OCCN(C)C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)c1 584897647 IIFXXFGNNNFUOI-SFHVURJKSA-N 373.497 2.670 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1nc(-c2ccoc2)no1 268938422 JDCPTIKURAPWJV-XBFCOCLRSA-N 359.382 2.507 0 50 FFAA Cc1nc(NC(=O)c2cnn3cccnc23)sc1C(=O)c1ccccc1 1875263133 BJGJXBMCZSITSY-UHFFFAOYSA-N 363.402 2.978 0 50 FFAA C[C@H]1CCc2[nH]nc(-c3nc(-c4nc[nH]n4)nn3[C@@H](C)C(F)(F)F)c2C1 1875335810 HYQUAKYWPSNQNC-YUMQZZPRSA-N 366.351 2.701 0 50 FFAA O=C(NC1([C@H]2CCCN2C(=O)c2ccco2)CC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875406458 DWMILMBAARRDCX-RBQNZQIVSA-N 354.450 2.825 0 50 FFAA C[C@]1(CC(=O)N[C@@H]2[C@H](CNc3ncccn3)CCC23CCC3)CCCO1 1875406261 ALVSJZGMWCYDFN-KVSKMBFKSA-N 358.486 2.913 0 50 FFAA COc1cc(CN(C)CC[C@@H]2CCCCO2)cc(Cl)c1OCC(N)=O 952990992 YFAXIGDXAJNZLT-AWEZNQCLSA-N 370.877 2.604 0 50 FFAA C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886096362 CELHQHGBENBXCC-SUMWQHHRSA-N 357.458 2.618 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2CNc2cnn(C3CCOCC3)c2C)cn1 888078721 PMZFIAUFWDLYFK-BEFAXECRSA-N 359.474 2.949 0 50 FFAA O=C(CCCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565515244 OHLJXGXIQAXFFF-MOPGFXCFSA-N 350.466 2.927 0 50 FFAA CC[C@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCOC(C)C)C1 1497516111 WZBILPQGEGCPSD-LJQANCHMSA-N 363.506 2.566 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ns1 277787625 GZURVJOINHWMMO-AWEZNQCLSA-N 365.405 2.651 0 50 FFAA C[C@H](OC(=O)c1cccc2nn[nH]c12)C(=O)N[C@H](C)c1ccc(F)cc1 170610711 DQGGKZHQHZEOFR-MNOVXSKESA-N 356.357 2.520 0 50 FFAA CCO[C@H]1C[C@](CO)(NC(=O)c2cc(F)ccc2Br)C1(C)C 188856052 WMJYRUJRHSIRBT-XJKSGUPXSA-N 374.250 2.884 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)N2CCc3cc(Cl)ccc3C2)c1CC 189666823 ZZNREZYMKPOJAP-UHFFFAOYSA-N 374.872 2.816 0 50 FFAA O=C(NCc1ccc[nH]1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 192224300 JEZAKSWYGQGIGX-HZPDHXFCSA-N 351.372 2.941 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)CO2 192521830 XHBDGEJWGXVRSR-HNNXBMFYSA-N 354.406 2.587 0 50 FFAA CC(C)n1cc2c(n1)[C@@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCC2 781052096 DZPVHHVGWYXLQK-INIZCTEOSA-N 369.469 2.836 0 50 FFAA O=S1(=O)CCCC[C@@H]1CNc1nn2cc(-c3ccccc3)nc2s1 784177440 YJPGJQXGGQDYRW-CYBMUJFWSA-N 362.480 2.837 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2ccc(-c3cccc(OC)c3)cc2)cn1 1529103462 CBDYZJCIOKZWQK-UHFFFAOYSA-N 364.405 2.557 0 50 FFAA c1ccc(C[C@H]2Cc3nnc(-c4csc(N5CCOCC5)n4)n3C2)cc1 1800416020 INKFQWBKDDMRPW-HNNXBMFYSA-N 367.478 2.653 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2c[nH]nc2-c2ccc(C)cc2)C[C@@H]1O 1704325660 OUAYJCUBDDLRIP-PXNSSMCTSA-N 357.454 2.823 0 50 FFAA CO[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2OC(C)C)CC[C@@H]1O 1704312640 WKBJQOJEYZACIY-ISTRZQFTSA-N 355.862 2.919 0 50 FFAA CC(C)CN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 12435706 PXXSPYATIXOOMH-LJQANCHMSA-N 358.530 2.530 0 50 FFAA O=C1N[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 13302702 UOIWGJQFFMKHKC-CKEIUWERSA-N 364.323 2.791 0 50 FFAA CN1CCN(C)[C@H](Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)C1 1857684913 JZAAOMACDBTFGM-INIZCTEOSA-N 355.873 2.998 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)OCCN1 1857692132 PWWOTPVZVAHJSP-UHFFFAOYSA-N 370.405 2.583 0 50 FFAA COc1ccc(CN(C)C(=O)[C@H]2CCn3nccc3C2)c2cccnc12 1857720050 BRTQYIHFBVFJNG-AWEZNQCLSA-N 350.422 2.661 0 50 FFAA Cn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1CCCS(=O)(=O)C1 328939286 RYZBZOAKRODNIH-CYBMUJFWSA-N 353.488 2.621 0 50 FFAA Cn1cnc2cc(C(=O)N3C[C@H]4CC[C@@H](C3)N(CC3CCC3)C4)ccc21 248052413 ROSYKXFGEFNHQH-WMZOPIPTSA-N 352.482 2.910 0 50 FFAA COc1cccc2ccc(CN3C[C@H](c4cccnc4)[C@@H](C(=O)O)C3)nc12 248245845 LVAWOWXBBSNLEG-MSOLQXFVSA-N 363.417 2.939 0 50 FFAA O=C(O)C[C@H](NC(=O)Cn1c(O)nc2ccccc21)c1cccc(Cl)c1 776674786 VBIONTDUPBUZKW-AWEZNQCLSA-N 373.796 2.728 0 50 FFAA COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H]1c1cccs1 152936707 FTMWDOARNHSZHD-OLZOCXBDSA-N 361.471 2.868 0 50 FFAA Cc1c(C(=O)N2CCC(N(C)c3cccnn3)CC2)cnn1CCC(C)C 159193986 QCQLIBFMTSZKIP-UHFFFAOYSA-N 370.501 2.769 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3ccc4ccccc43)C1)CC2 1704301224 PTEPSIULENSMTJ-NRFANRHFSA-N 361.449 2.520 0 50 FFAA CC(C)Oc1ccc(NC(=O)C2=NO[C@@]3(CCNC3)C2)cc1C(F)(F)F 2325774991 PDUFHRGFJASGEK-INIZCTEOSA-N 371.359 2.940 0 50 FFAA Cc1cnc(CCC(=O)N2CCN(c3cccc4cnccc34)C[C@@H]2C)[nH]1 2325779874 MIGGDRLAHCZNTB-INIZCTEOSA-N 363.465 2.936 0 50 FFAA CC[C@@H]1C[C@H](C(=O)N[C@@H](Cc2cccc(Cl)c2F)C(=O)O)CCO1 2325793448 VDXAERSFRPCILG-BZPMIXESSA-N 357.809 2.796 0 50 FFAA Cn1c(SCC(N)=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1127979 HAPLEMIUNPYBIT-UHFFFAOYSA-N 369.490 2.783 0 50 FFAA O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1175402 ZETVRYAYEISCPF-HNNXBMFYSA-N 356.422 2.524 0 50 FFAA CC(C)CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 2851547 RLVMWINBMAUHAB-UHFFFAOYSA-N 366.405 2.634 0 50 FFAA c1coc(CN(CCN2CCOCC2)Cc2cccn2-c2nccs2)c1 55358408 WKWQMMMRYHEIOY-UHFFFAOYSA-N 372.494 2.861 0 50 FFAA Cn1cc(I)c(-c2nnc(-c3cccs3)o2)n1 2803149 PQNNKHMHYAWAFM-UHFFFAOYSA-N 358.164 2.803 0 50 FFAA CCOc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1 8564926 UCBRDPONHZFNGV-LFIBNONCSA-N 367.405 2.904 0 50 FFAA CC(C)[C@@H](C(=O)Nc1cccc(F)c1)n1c(=O)[nH]c2ccccc2c1=O 9510871 CUQJNVDTOUCMBY-INIZCTEOSA-N 355.369 2.665 0 50 FFAA COc1ccccc1CN(C(=O)CC[C@H](C)N1CCN(C)CC1)C1CC1 55166065 YDEMLMBRMZXXKQ-KRWDZBQOSA-N 359.514 2.602 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)c1 20472500 FUXKIKCYGUCCTP-MRXNPFEDSA-N 357.281 2.923 0 50 FFAA CCOCCc1nnc(NC(=O)N2CCCC[C@H]2c2nc(C)no2)s1 23582175 ZMWHPWCECUQRFB-NSHDSACASA-N 366.447 2.568 0 50 FFAA C[C@@H]1Cc2ccccc2N1CCNC(=O)c1ccc2c(c1)CCC(=O)N2C 119793155 MFCRNHSKRLWZJQ-OAHLLOKOSA-N 363.461 2.777 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1 229780599 CQWAJYFDXVJSGK-ZRGWGRIASA-N 364.461 2.766 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)N(C)Cc3cscn3)CC2)cc1 171328916 LSJNKUAFFNCNEJ-UHFFFAOYSA-N 372.494 2.898 0 50 FFAA COc1cccc2c1OCC([C@@H]1CC(=O)NCc3nc4ccccn4c31)=C2 65366133 FOJLCMQIZYZHSB-HNNXBMFYSA-N 361.401 2.922 0 50 FFAA CCn1c(CC2CCN(Cc3ccc4onc(C)c4c3)CC2)nn(C)c1=O 65497661 DTCADSUISQZCSO-UHFFFAOYSA-N 369.469 2.506 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(OC)cc3)cnn2c1 67821607 SXSCRXIOBMHJDS-UHFFFAOYSA-N 353.426 2.832 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 328648422 UNCHEIJLWSIOBA-INIZCTEOSA-N 351.410 2.780 0 50 FFAA NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 2575595 IKIMATKYJVYXJE-UHFFFAOYSA-N 371.673 2.533 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)cnc21 77470845 MVKLVWYCNQEXRD-UHFFFAOYSA-N 363.343 2.982 0 50 FFAA Cc1c(Cn2ccnc2-c2ccc(Sc3nncn3C)o2)cnn1C 71551756 WZZKLYKPBBNUJZ-UHFFFAOYSA-N 355.427 2.513 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)cc1 77426411 JNEKESLHJIBYGP-UHFFFAOYSA-N 353.422 2.639 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)cn1 333268088 JZQUILAOSWCKAC-UYAOXDASSA-N 368.481 2.539 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NC[C@@H](C)N3CCN(C)CC3)n2n1 72426519 RWTRURBUKRCFIL-QGZVFWFLSA-N 364.497 2.753 0 50 FFAA O=C(NCc1cccc(-c2nc[nH]n2)c1)c1cnn(Cc2ccccc2)c1 369363304 KPJJJXJRVZEKBU-UHFFFAOYSA-N 358.405 2.647 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)c1 369456092 FENXUNCHOCPCGQ-QGZVFWFLSA-N 350.466 2.981 0 50 FFAA COc1cccc(CN2CC[C@@H](N3CCCCC3)C2)c1OCCN(C)C 215569663 IZDKFXKKOLFBIF-LJQANCHMSA-N 361.530 2.696 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 72144539 IJLJEEKPCTWUSE-SFHVURJKSA-N 373.497 2.737 0 50 FFAA COc1ccc(C2(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)CC3(CCC3)C2)cc1 376010572 CHFGSIZKZOWTIP-CQSZACIVSA-N 369.469 2.672 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O)c1cccc(F)c1F 284803607 AQUNXFFTAYUHDV-AXJQOJOCSA-N 368.424 2.987 0 50 FFAA Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nc(C2CC2)n1 284901550 OPYKZSXAPDRDSE-QFBILLFUSA-N 354.502 2.915 0 50 FFAA OCc1ccc(CN2CCc3[nH]cnc3[C@H]2COCc2ccccc2)o1 71760065 RHASKEDZLWIHAE-LJQANCHMSA-N 353.422 2.811 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H](c3nccn3C)C3CCOCC3)ccc2o1 286787742 JOFOGDMCTQNULC-QGZVFWFLSA-N 354.410 2.767 0 50 FFAA CN(C[C@@H]1CCOC1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 176243684 WNDSMZXIJNYRCJ-KBPBESRZSA-N 369.412 2.545 0 50 FFAA CCc1nc(C)c(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)s1 223830823 LOVOZKWAPOEAGN-CABCVRRESA-N 361.467 2.684 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 19147478 VZDQEWCAABJHPR-CQSZACIVSA-N 353.401 2.965 0 50 FFAA CCCN1CCCn2nc(CNC(=O)CCc3scnc3C)cc2C1 82087204 RABWNDKUMWBZIM-UHFFFAOYSA-N 361.515 2.513 0 50 FFAA CC(C)c1cc(C(=O)NC2CCN(C3CCSCC3)CC2)n(C)n1 82137605 LEFJRNZUNQPWQK-UHFFFAOYSA-N 350.532 2.633 0 50 FFAA NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(CCO)cc2)cc1 426705589 DXZRSHOJGDNMRF-FQEVSTJZSA-N 366.461 2.759 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC[C@H](OCc3cccnc3)C1)OCCO2 95368929 NMBXHCPDBMVZLR-KRWDZBQOSA-N 368.433 2.983 0 50 FFAA COC[C@]1(O)CCN(C(=O)CCSCc2ccccc2)CC1(C)C 91873055 SZRIHKBHJGGGNS-LJQANCHMSA-N 351.512 2.946 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)c3ccc(C)s3)C[C@H]21 95531778 CDWOTZHLJOYODO-BFUOFWGJSA-N 373.430 2.768 0 50 FFAA CCN1CCC[C@@]2(CCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)C1=O 91951668 JKBMKHVEPUFDKG-FQEVSTJZSA-N 358.486 2.932 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3sc(N)nc3C)C2)CCC1=O 91645862 UHZCAQOSLMXHFW-SFHVURJKSA-N 364.515 2.679 0 50 FFAA Cn1cncc1-c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 426478646 BHQMFSJWGWAHGF-GOSISDBHSA-N 366.465 2.562 0 50 FFAA CCc1cc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)no1 97729758 FESPOBIQSILYRX-UHFFFAOYSA-N 367.449 2.674 0 50 FFAA C[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 239038778 DXEFUZJKOAJWMG-FZMZJTMJSA-N 351.244 2.813 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 97681757 ZFHTXCXJUULLGJ-MRXNPFEDSA-N 367.453 2.739 0 50 FFAA CC(C)n1nnnc1-c1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1 184642563 USYDPYFNIZFGBJ-CQSZACIVSA-N 370.457 2.954 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252548747 QJVCXFVMOOKKHR-LDBYXDLTSA-N 363.461 2.912 0 50 FFAA CN1CC2(CCN(C(=O)NCCCSc3ccccc3)CC2)OC1=O 534642481 KTQNNYXZNAORDC-UHFFFAOYSA-N 363.483 2.795 0 50 FFAA O=C(NCCC(=O)N1CCCC1)Nc1ccc(OCc2ccccn2)cc1 299764831 MWEBEDBTOAVLRE-UHFFFAOYSA-N 368.437 2.795 0 50 FFAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cc2ccccc2s1 299757725 MTAPCKVOLMQCPY-HNNXBMFYSA-N 359.495 2.574 0 50 FFAA Cc1cccn2c(CC(=O)N[C@H](C)CN3CCc4ccccc4C3)cnc12 299777904 FYHWECSBZCVCMT-QGZVFWFLSA-N 362.477 2.748 0 50 FFAA Cc1ccc([C@@H](C(=O)NCCN2CCc3ccccc3C2)N(C)C)cc1 823649048 WICFNRVLRNYXBR-NRFANRHFSA-N 351.494 2.772 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)c2ccc3c(c2)CCCO3)CC1 584884163 LDAJPDVVRUOWCK-UHFFFAOYSA-N 354.406 2.593 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)N2CCC3(CCO3)CC2)n1 584898296 RSWKKVPCAIURMW-LBPRGKRZSA-N 374.407 2.811 0 50 FFAA O=S(=O)(NCc1coc(-c2ccccc2)n1)c1ccc(-c2cc[nH]n2)o1 670454552 DJENSKWCKIBLHG-UHFFFAOYSA-N 370.390 2.803 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C1 268894413 BHYNLIPFYAIDHE-GFCCVEGCSA-N 363.801 2.646 0 50 FFAA C[C@@H](NC(=O)[C@@H](N)Cc1n[nH]c2ccccc12)c1cccc2cccnc12 1875348119 XXMCHCAQJUXUKG-DYVFJYSZSA-N 359.433 2.858 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1cnc2ccnn2c1 1875398814 FUACXTJBVCDHTM-DOTOQJQBSA-N 367.457 2.581 0 50 FFAA C[C@@]1(C(=O)NC[C@@H](NC(=O)C[C@@H](O)c2ccccc2)C2CC2)C[C@@H]2C[C@@H]2C1 1875358261 PFCRPWYJMMYCQW-XPEFGHIFSA-N 370.493 2.557 0 50 FFAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H](O)C2(CCOCC2)C1 1875306168 WDQBOOMJUDUMES-TZMCWYRMSA-N 360.237 2.592 0 50 FFAA C[C@H]1CC[C@H](C(=O)N2CC3(CN(C(=O)c4nc(C5CC5)cs4)C3)C2)C1 1875406250 AFZMZVHYJSLQFA-JSGCOSHPSA-N 359.495 2.741 0 50 FFAA CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C)c1cccc(O)c1 1875406806 MLZHFPPIKZAFAV-YQQAZPJKSA-N 356.466 2.528 0 50 FFAA COc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)ccn1 952979800 OOKRLEKOTXKYFI-GOSISDBHSA-N 356.422 2.790 0 50 FFAA CCn1ncc2ccc(NC(=O)N3CCN(c4ncccc4F)CC3)cc21 270492225 BXGYEGJAAKVUPS-UHFFFAOYSA-N 368.416 2.944 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)Cc2cccc(F)c2F)o1 275326423 JQMMNUXKGCQIJH-CYBMUJFWSA-N 351.353 2.614 0 50 FFAA Cn1cncc1[C@H]1C[C@H](NCc2cc(Cl)c3c(c2)OCCO3)CCO1 275563513 NZZNMFMWLOLCSA-CZUORRHYSA-N 363.845 2.855 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2cc(C(F)(F)F)ccc2F)cn1 275639676 SWVYDXSHGDBAGP-ZBFHGGJFSA-N 370.350 2.688 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1F 192574925 LMLDSDCMSQRAEC-QGZVFWFLSA-N 356.397 2.755 0 50 FFAA C[C@@H](CNC(=O)N1CC2(CCCC2)c2c(F)cccc21)N1CCOCC1 194778291 QEDPGVAGZHQWSE-HNNXBMFYSA-N 361.461 2.888 0 50 FFAA COc1ccc(C)cc1CS(=O)(=O)Cc1nc(-c2cccs2)n[nH]1 195055319 ZMZDTTVUFMTPQN-UHFFFAOYSA-N 363.464 2.965 0 50 FFAA Cc1cc(CN2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)on1 198848052 BKPRPXVOZIPHRD-UHFFFAOYSA-N 352.438 2.591 0 50 FFAA Cn1ncc(C(=O)NC[C@](C)(O)c2ccc(F)cc2)c1Cc1ccccc1 770677910 NHMRRSKZSPUJMB-NRFANRHFSA-N 367.424 2.788 0 50 FFAA O=S(=O)(NCCc1nc(-c2ccccc2)cs1)N1CCCCC1 1506419492 CYPWNGYKANRKHB-UHFFFAOYSA-N 351.497 2.673 0 50 FFAA CCc1noc(C)c1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 1506419452 QAFQBFLXNJYSGN-UHFFFAOYSA-N 355.398 2.980 0 50 FFAA CCn1ncc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 1529179371 XDLITBKAFRPFEW-HNNXBMFYSA-N 370.453 2.990 0 50 FFAA COc1ccc([C@H]2CN(C(=O)Cc3ccccc3C)C[C@@H]2NC(C)=O)cc1 216228751 PMDRLKTWIAGLCU-RTWAWAEBSA-N 366.461 2.677 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616082882 QQKKNPNWHWQVTE-HKUYNNGSSA-N 370.424 2.732 0 50 FFAA COc1ccc(Cc2nc(-c3ncoc3C)n([C@H]3CCOC3)n2)cc1OC 1772813224 VRLBIOPHRVYFTP-AWEZNQCLSA-N 370.409 2.811 0 50 FFAA O=C(Cc1ccsc1)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 11664028 QTVSKDUYYFXHNR-UHFFFAOYSA-N 367.430 2.994 0 50 FFAA CSCC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 11818395 HODVWMYUQWSZBA-CQSZACIVSA-N 352.475 2.824 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CNC[C@@H](COc3cccc(F)c3)C2)cc1 14731339 SLVMQHPPQYDCLF-DLBZAZTESA-N 372.440 2.755 0 50 FFAA CN(C)CCN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 14979190 AZVPYRMBMKVPGC-SFHVURJKSA-N 354.450 2.957 0 50 FFAA O=C(CCN1CCCCO1)NCc1cccnc1N1CCCCCCC1 19113771 GXIMKQOGXMNODP-UHFFFAOYSA-N 360.502 2.886 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857532892 AMSZTCLCWLEDNB-CCKFTAQKSA-N 364.449 2.563 0 50 FFAA Cc1cc(F)ccc1N1CCC(N[C@@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)CC1 1857716361 IQLJZMZPXAUREZ-RZUBCFFCSA-N 373.516 2.944 0 50 FFAA O=C(CN1CCCCC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857733059 SWCXOTPCJVGPRV-UNMCSNQZSA-N 371.525 2.537 0 50 FFAA CCc1nc(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cs1 363369569 OXTOZGBTWQHFGO-INIZCTEOSA-N 357.479 2.555 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 363360423 HUTRPXPFBAZWOD-MNOVXSKESA-N 359.253 2.595 0 50 FFAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cccn(C)c4=O)C3)nc2c1 264241336 ORPFUHMSUJHPLV-CQSZACIVSA-N 350.422 2.590 0 50 FFAA CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 497359657 AVHUOCFFQNADRI-FFGOWVMKSA-N 370.493 2.591 0 50 FFAA C[C@H](NCc1nc(C2CC2)nn1C)c1cc(F)ccc1N1CCC(O)CC1 828155722 RLFCSXVNLQLHPO-ZDUSSCGKSA-N 373.476 2.644 0 50 FFAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 4770607 YNNDPYKXGXTQLZ-UHFFFAOYSA-N 372.324 2.951 0 50 FFAA Cn1cc([C@H](CO)NC(=O)c2cccc(Oc3ccc(Cl)cc3)n2)cn1 2325727437 FPIUFSAGKRWSPR-INIZCTEOSA-N 372.812 2.724 0 50 FFAA Cc1c(C(=O)N2CCO[C@@]3(COC(C)(C)C3)C2)c(O)nc2ccccc12 2325782200 COBIIWVJNQIHAQ-HXUWFJFHSA-N 356.422 2.659 0 50 FFAA Cn1ccc([C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)c2ccccc2)n1 2325786428 KCQOEJMGZICUSK-SFHVURJKSA-N 364.453 2.822 0 50 FFAA Cn1c(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc2c1CCNC2 2325808279 MKZQXZYWDYCXTM-SFHVURJKSA-N 359.857 2.538 0 50 FFAA O=C(NCc1ccc2c(c1)CNC2)N1Cc2cnn(-c3ccccc3)c2C1 2325857811 QFHIAVZLIJBXJH-UHFFFAOYSA-N 359.433 2.701 0 50 FFAA C[C@H](CNC(=O)Cc1cccc2cnccc12)CNC(=O)C[C@@H]1C[C@H]1C 2325868414 YYIHZGHDYSTJIX-RKVPGOIHSA-N 353.466 2.692 0 50 FFAA C[S@](=O)c1ccccc1C(=O)NCc1sncc1Br 2325868765 JQYYKZMMNUGNHF-IBGZPJMESA-N 359.270 2.573 0 50 FFAA O[C@H]1[C@@H]2C[C@H](CNc3ccnc4c(Br)cccc34)[C@@H](C2)[C@H]1O 2325873746 RYZIVCHGVMMLCR-KEOCUKGSSA-N 363.255 2.787 0 50 FFAA CCN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 1050795 UXVBHSVMEHTMPK-UHFFFAOYSA-N 350.415 2.783 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ncc[nH]3)C2)c2cccc(=O)n21 2356146532 KBLPOAOVUSGVQQ-VYDXJSESSA-N 354.454 2.808 0 50 FFAA Cc1nc(C)c(-c2nnc(NC(=O)[C@H]3CC(=O)OC34CCCC4)o2)s1 2356152634 SMXATODHTNNDNV-SNVBAGLBSA-N 362.411 2.624 0 50 FFAA Cc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(N)=O)o1 2740647 NKJMEXCWOVTRLF-UHFFFAOYSA-N 350.396 2.874 0 50 FFAA O=C(COc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 4866211 FGJSDEGHWMMUKI-INIZCTEOSA-N 354.406 2.613 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(F)c(F)c1 247856293 UISPYQBTFQMXNW-LYRGGWFBSA-N 352.381 2.709 0 50 FFAA Cc1ccccc1N1CCCN([C@@H](C(=O)O)c2ccc(F)c(CO)c2)CC1 108201846 SKKKJFCTLOIBAK-HXUWFJFHSA-N 372.440 2.964 0 50 FFAA CC(C)Cc1nc(C[C@@H]2C[C@@H](C)NC(=S)N2)n(-c2ccccc2F)n1 65393637 BMGQAXAFWUWECR-OLZOCXBDSA-N 361.490 2.772 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)NCc3nc(C)c(C)s3)cnn2c1 67819861 GVFUNNWSNCNJAH-UHFFFAOYSA-N 372.498 2.574 0 50 FFAA O=C1C[C@@H](NCc2cccc3c2OCO3)CN1CCCc1ccccc1 11663028 ZHXWFLBQMLNOEV-GOSISDBHSA-N 352.434 2.739 0 50 FFAA C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 229761130 WAVZOUSTWFEHHC-GJZGRUSLSA-N 355.523 2.869 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)c1c[nH]c(C)cc1=O 67955790 VKSMXUHMNIJDCJ-UHFFFAOYSA-N 365.389 2.809 0 50 FFAA CCOc1cc(CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)ccc1OC 172037210 QVPDONXDEIEHOG-OAHLLOKOSA-N 374.441 2.875 0 50 FFAA O=C(c1cnc[nH]1)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12445149 STQYVLPYSLHCQA-LJQANCHMSA-N 360.408 2.816 0 50 FFAA CC(=O)N1CCC(CCC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 38463406 UETBGGGMWJBWLZ-UHFFFAOYSA-N 354.450 2.743 0 50 FFAA COc1ccc2cc([C@@H]3CN(CCC(=O)NC4CC4)CCO3)ccc2c1 71745296 AVPLSRACPWUNFK-FQEVSTJZSA-N 354.450 2.890 0 50 FFAA CN1C(=O)C[C@@H](CNCc2cc3ccccc3s2)[C@@H]1c1cnn(C)c1 328623491 JFRAEIFNJWVBDJ-IFXJQAMLSA-N 354.479 2.944 0 50 FFAA Cc1nnc([C@H](C)Nc2nccc(N[C@@H]3CCCO[C@H]3C(C)C)n2)s1 328624809 CPFCQIIWGWJNRV-LNSITVRQSA-N 362.503 3.425 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2C[C@@H]2CCS(=O)(=O)C2)cn1 71748430 KUKDNYSLPXZXPK-HNNXBMFYSA-N 368.462 2.750 0 50 FFAA CCCC1(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)CCC1 72453875 AQMUAKOHHIAVQC-CQSZACIVSA-N 366.531 2.729 0 50 FFAA CCCOc1ncccc1CNc1ncnc2ccc(S(C)(=O)=O)cc12 242273696 YFBMNAVDFJWGKR-UHFFFAOYSA-N 372.450 2.829 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N3CCC4(CCc5ccccc54)CC3)cc2)n1 215756064 JFBXSPNFKGKRLS-UHFFFAOYSA-N 373.460 2.997 0 50 FFAA COc1cc(OC)cc(N2CCC(NC(=O)c3conc3C3CC3)CC2)c1 368163466 WWYGMBFURPJGJX-UHFFFAOYSA-N 371.437 2.968 0 50 FFAA Cc1cccc2nc(C3CCN(C(=O)NCC[C@H]4CCC(=O)N4)CC3)oc12 377259503 LXWKPBXTAMUXRB-OAHLLOKOSA-N 370.453 2.694 0 50 FFAA c1cncc([C@H]2CN(Cc3ccc(OCCn4ccnc4)cc3)CCO2)c1 215143954 ASHODRSSIAQYGQ-OAQYLSRUSA-N 364.449 2.931 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3cn4c(n3)SCC4)cc2)n1 77406437 DLHASOIFDOJECK-UHFFFAOYSA-N 353.451 2.721 0 50 FFAA CCN(C(=O)C[C@H]1CC[C@H](C)C1)C1CCN(c2ncnc3[nH]cnc23)CC1 370417025 WDDIWEOIMNPZCF-GJZGRUSLSA-N 370.501 2.997 0 50 FFAA COC[C@@H](C)OC[C@H](O)CN1CCC(c2cccc3cnccc23)CC1 373895618 AMYDJAQHYFMWJV-VQIMIIECSA-N 358.482 2.827 0 50 FFAA C[C@H](CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)n1ccnc1 77469750 MRISXQJQEJQTJY-HINLZNOGSA-N 356.514 2.947 0 50 FFAA COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)nn1 378300178 VRYCXSZRVQYVJF-UHFFFAOYSA-N 366.465 2.614 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(Cc3coc(C(C)C)n3)CC2)cn1 72463361 SFOZJPHXYKQGQX-UHFFFAOYSA-N 359.426 3.000 0 50 FFAA COc1ccc([C@@H](CN(C)C)NCc2c(C)nc3sc(C)nn23)cc1 285316330 WRPVRTAIQMRYLT-MRXNPFEDSA-N 359.499 2.809 0 50 FFAA COc1ccc(Nc2cc(N3C[C@@H](C)C[C@H](C(=O)O)C3)ncn2)c(OC)c1 263208507 NFUAEEAMZAWPJV-STQMWFEESA-N 372.425 2.784 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cnn(-c3ccccc3OC)c1)C2 222952749 VRJFOKBYXWJJSZ-LJQANCHMSA-N 367.453 2.537 0 50 FFAA CCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(COC)nn32)c1=O 40392079 UTQKSHLNBOJBHZ-UHFFFAOYSA-N 367.384 2.802 0 50 FFAA C[C@H](Cc1cccs1)NC(=O)c1nccnc1C(=O)N1CCCCC1 19595145 HUFOKNNLQMVDCP-CYBMUJFWSA-N 358.467 2.525 0 50 FFAA O=C(N1CCCC[C@H]1CCN1CCOCC1)C1(c2ccccc2F)CC1 82106981 QCXPGSKZNAKELP-KRWDZBQOSA-N 360.473 2.961 0 50 FFAA COc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1OC 91636512 HXYUHIOOGWYPNA-SJLPKXTDSA-N 358.482 2.927 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)[C@@H]3CC(=O)OC34CCCC4)c2n1 97660436 VSJUEFRJKXTNKJ-INIZCTEOSA-N 368.433 2.914 0 50 FFAA OC[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)C[C@H]1CN1CCOCC1 91526283 NEKIZLSSOQGNSI-DHIUTWEWSA-N 366.505 2.726 0 50 FFAA CCc1ncc(C(=O)NCC2CCN(CCc3ccccc3)CC2)cn1 95386620 QKXWBKYQIQEGDY-UHFFFAOYSA-N 352.482 2.724 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC1=O 91745823 FYDJQRDCHFFVGS-CYBMUJFWSA-N 372.387 2.891 0 50 FFAA O=C1CCCCN1CC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 97675321 KHKVNZDBXHKIAT-HNNXBMFYSA-N 360.845 2.892 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)[C@H]2CCOC(C)(C)C2)c1C 97679941 ZVZBYXYBYFOIJP-INIZCTEOSA-N 351.491 2.700 0 50 FFAA CN1CCC[C@H](CN2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C1 95527203 CLQSHVCRIQGOGU-AWEZNQCLSA-N 368.884 2.970 0 50 FFAA O=C(O)c1ccc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc1 91877191 MQVCMDZZVUSEFR-KRWDZBQOSA-N 363.421 2.804 0 50 FFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239415210 TZRBMJVRIHUIBQ-ZONKCHNNSA-N 364.445 2.684 0 50 FFAA Cc1nc(N)nc(N2CCC(Oc3ccc(F)cc3)CC2)c1CCC(=O)O 95367516 FTYCQFFAQNAXBO-UHFFFAOYSA-N 374.416 2.571 0 50 FFAA COc1cc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)ccc1C 91770462 USRLAKKAQRDONG-ZWKOTPCHSA-N 373.497 2.541 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CCN1CCN(c2ncccn2)CC1 244047818 TUERJTGJELWGQV-UHFFFAOYSA-N 359.861 2.589 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccccc1-c1nc[nH]n1 244748599 OKOXFZVYCAKOSB-GPMSIDNRSA-N 362.433 2.584 0 50 FFAA O[C@]1(c2ccccc2)[C@@H]2[C@H]3[C@H]4[C@@H]5[C@@H]([C@@H]2[C@]35Br)[C@@]41Br 252428331 YKVAHPGCIDIAFH-HBFLQGKLSA-N 368.068 2.907 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)CSc3ccccn3)cc2C1 299799554 HDPLRBNRZYUZHK-UHFFFAOYSA-N 373.526 2.548 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)cc(C)c1OC)C2 299764558 JDHBZMWJOHHRHQ-UHFFFAOYSA-N 356.470 2.551 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)[C@@H]3CC(=O)OC34CCCC4)n2)cc1 299763172 YUWAVNXYDAKGPL-HNNXBMFYSA-N 369.421 2.580 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N(C)C 828177848 VHJTWQWMVSXVMN-FQEVSTJZSA-N 365.477 2.582 0 50 FFAA CC(C)C(=O)Nc1ccc(NC(=O)CN2CCCN(C)CC2)cc1Cl 823778409 XPXWLMCLIQLMQF-UHFFFAOYSA-N 366.893 2.511 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1 827621541 AIPNVOYDGPPBBC-UHFFFAOYSA-N 367.449 2.949 0 50 FFAA NC(=O)Cc1nc(-c2ccc(-n3cccn3)cc2)n(C2CCCCC2)n1 584898353 SNNLASJXLLUEOY-UHFFFAOYSA-N 350.426 2.664 0 50 FFAA CCc1nc(CCNC(=O)N(C)Cc2ccccc2CN2CCCC2)no1 584887546 WXGSUJWNTIFRFT-UHFFFAOYSA-N 371.485 2.612 0 50 FFAA CSCCc1nc(C2CCN(C(C)=O)CC2)n(Cc2ccccc2)n1 670465605 BRLJLNKKMGOEQA-UHFFFAOYSA-N 358.511 2.958 0 50 FFAA C[C@H](c1ccccc1)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 1875297197 GKBSCGHPAFZRAV-AHRSYUTCSA-N 365.477 2.918 0 50 FFAA COc1ncccc1Cc1noc([C@@H](C)n2ccc(C(F)(F)F)n2)n1 1875269510 MNIQPENMNBXIGC-SECBINFHSA-N 353.304 2.889 0 50 FFAA CCn1nc2c(c1C(=O)NCc1ccc(OC)nc1C)C[C@H](C)O[C@@H]2C 1875314294 QKGMHJJGUNIOMV-WCQYABFASA-N 358.442 2.567 0 50 FFAA COCc1c(C)cc(C)c(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)c1C 1875400319 WUPHNAWLXGEGAC-DUXKGJEZSA-N 357.498 2.884 0 50 FFAA C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886096361 CELHQHGBENBXCC-GUYCJALGSA-N 357.458 2.618 0 50 FFAA CCOc1cccc(CNC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1 886079874 KRGYELDUXIPRNL-UZLBHIALSA-N 356.470 2.518 0 50 FFAA CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1F 887610453 SADOSXQGWKQJIJ-NSHDSACASA-N 361.826 2.730 0 50 FFAA CCOC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)CCO1 888100041 YULPPPARXUWZRY-OAGGEKHMSA-N 350.434 2.909 0 50 FFAA CCC[C@]1(CO)CCN(CC(=O)Nc2c(C)cccc2C(C)C)C[C@H]1O 1529117880 CCTQUQAYEDDXCG-WIYYLYMNSA-N 362.514 2.902 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 170671486 FWPOJKCJEXQCOL-HNNXBMFYSA-N 359.426 2.674 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cccnc1 170838762 MPAYJXWMOODYTR-YJBOKZPZSA-N 367.449 2.962 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280083936 QKMUXMTWNWUULH-WFASDCNBSA-N 353.344 2.870 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)C1 191050108 GURGZXWYVSKASG-FQEVSTJZSA-N 354.406 2.526 0 50 FFAA COc1cc(NC(=O)CC2CC(C)(C)NC(C)(C)C2)cc(-n2cnnn2)c1 1506420573 JSSPTSVBKIABRW-UHFFFAOYSA-N 372.473 2.556 0 50 FFAA Cc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)n1C(F)F 1506416711 KWYKQAROJVQTQI-SNVBAGLBSA-N 362.336 2.889 0 50 FFAA Cn1nc2c(c1NC(=O)Cc1cc3c(cc1Cl)OCCO3)CSC2 1529134203 OYGXULFRYADSRW-UHFFFAOYSA-N 365.842 2.773 0 50 FFAA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1 1159897 OXPUWPKKVUOOJN-NYYWCZLTSA-N 356.403 2.920 0 50 FFAA aggregator COc1ccc(F)c(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1 1704325794 RWCQENHTSAPLGV-PZJWPPBQSA-N 373.424 2.715 0 50 FFAA CCn1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cc1=O 1704344535 SEGZFQPCPGQYOU-UHFFFAOYSA-N 358.463 2.634 0 50 FFAA CC1=CC2(CCN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)CC2)OCC1 1704345247 USEDSQLHGBEJKN-UHFFFAOYSA-N 353.422 2.507 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(CCOCc2ccccc2)C[C@@H]1O 1704306042 ZVTKGIGTACUHSV-RBBKRZOGSA-N 369.461 2.584 0 50 FFAA O=S(=O)(Nc1ccc(O)nc1)c1ccc(F)c(Br)c1F 1875339172 BYYTXYKSNRSEPT-UHFFFAOYSA-N 365.155 2.629 0 50 FFAA Cc1ccccc1C(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11697916 HGAAWPXBXKDVMU-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA Cc1nc(C(=O)N[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cs1 12028379 RNWYEHQJUFOKKA-CQSZACIVSA-N 363.870 2.678 0 50 FFAA CSCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12300089 WPGLWLXQQCWJMN-LBPRGKRZSA-N 360.401 2.676 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCO[C@H](Cc2cccc(F)c2)C1 12303417 XTBRMNCXCABWQT-QGZVFWFLSA-N 357.381 2.681 0 50 FFAA CCOc1ccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 13329620 VNVXOEZLPMPCSV-UHFFFAOYSA-N 368.433 2.739 0 50 FFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C 14542286 GNOKDWNNFGDGLE-INIZCTEOSA-N 353.507 2.575 0 50 FFAA O=C(c1cccnc1N1CCc2[nH]nc(C3CC3)c2CC1)N1CCCC1 1857700927 CKQOFRVVJRISKD-UHFFFAOYSA-N 351.454 2.523 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H](N)C[C@H]1C 408519227 XCMCZOSCCXPIQC-JFGNBEQYSA-N 359.239 2.694 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nn1C 423609276 LFHRRCGVHZCKPX-CYBMUJFWSA-N 353.253 2.822 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N(C[C@@H](C)C(=O)O)C3CC3)cc2)n1 237380999 KHEWCNYLVJCASD-CYBMUJFWSA-N 355.438 2.874 0 50 FFAA c1cc2c(cc1O[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]13)OCO2 253597113 ZZMNWJVJUKMZJY-SMHQJORMSA-N 370.357 2.883 0 50 FFAA endogenous,in-man CSc1ccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl 476397681 MRNXXUNFCHQCHV-UHFFFAOYSA-N 356.856 2.962 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(Br)c1 263292976 MLKBTMNEKYMLBM-MXWKQRLJSA-N 356.216 2.504 0 50 FFAA CCCCC[C@H](O)/C=C\[C@@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 306146588 KJYIVXDPWBUJBQ-SCEIZFNDSA-N 368.470 2.978 0 50 FFAA Cc1cc(CN2CC[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)nc(N(C)C)n1 2325796564 YQYWJVSFOBUPJY-QZTJIDSGSA-N 354.454 2.541 0 50 FFAA Cc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1Br 1017800 KOONYLNEDDYFEP-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 2998296 JLZAAAASDTTYDI-JTQLQIEISA-N 365.236 2.854 0 50 FFAA CCCn1nc(N(C[C@@H]2CCCN3CCCC[C@H]23)S(C)(=O)=O)cc1C 2356156356 XXADIJBJAXOKDP-DLBZAZTESA-N 368.547 2.632 0 50 FFAA CC1CCN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 3605412 MVZADNPKIHLVSE-UHFFFAOYSA-N 355.221 2.848 0 50 FFAA CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 3827029 OQAHHWOPVDDWHD-INIZCTEOSA-N 360.454 2.554 0 50 FFAA in-vivo O=C(NCCCO)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2ccccc12 4005955 PNQIJUCURRTMMW-ZWKOTPCHSA-N 352.434 2.859 0 50 FFAA Cc1cccc([C@H](C(=O)NCCSc2nnc(C)s2)N(C)C)c1 65404584 HTOJAPRINCKJQS-CQSZACIVSA-N 350.513 2.666 0 50 FFAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1c[nH]c(=O)c(Cl)c1 72137394 KCBRZDWJFDKHIA-OAHLLOKOSA-N 351.878 2.803 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2ccc(-c3noc(C(C)C)n3)cc2)[C@H]2CCO[C@H]21 1074605004 AIZRHBWICMGMDJ-LTIDMASMSA-N 371.437 2.640 0 50 FFAA CN1CCC[C@@H](NC(=O)Nc2nnc(CCC(=O)c3ccccc3)s2)C1 20202537 JFYQXNBIBKEQBX-CQSZACIVSA-N 373.482 2.569 0 50 FFAA O=c1c2c3c(sc2ncn1CCCn1ncc2ccccc21)CNCC3 65382663 ORNYFHYCXMCVJV-UHFFFAOYSA-N 365.462 2.544 0 50 FFAA CCCCC(=O)Nc1ccc(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 65371630 IEUIIWPPFJWURK-SFHVURJKSA-N 371.481 2.946 0 50 FFAA Cc1nc(C)n(C[C@@H](C)C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)n1 77380344 RBYGGKVJGALWNB-CYBMUJFWSA-N 370.432 2.514 0 50 FFAA COCCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC23CCCC3)cc1 429625930 WWHZERBNLBQUKI-INIZCTEOSA-N 366.483 2.951 0 50 FFAA COc1cccc2c1CC[C@H]2NC(=O)CCn1c(=O)oc2ccccc21 153636416 CZKJDDWEQTVHAW-OAHLLOKOSA-N 352.390 2.797 0 50 FFAA O=C([C@@H]1CCCN1C(=O)Cc1cccs1)N1CCOc2ccccc2C1 363389108 HQAHPTBBLDZMNR-KRWDZBQOSA-N 370.474 2.703 0 50 FFAA O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1c1ccc(-n2cccn2)nc1 328595344 RVZGSSDVJMRXTP-IRXDYDNUSA-N 359.389 2.940 0 50 FFAA CCc1nc([C@@H](C)NC(=O)NCc2ccc(-n3ccnc3)nc2)cs1 363405153 QPUVNFWVXRIZGS-GFCCVEGCSA-N 356.455 2.847 0 50 FFAA c1ccc2cc(-c3nn4c(CN5CCOCC5)nnc4s3)ccc2c1 36359913 IYMBEOPXSAJFAR-UHFFFAOYSA-N 351.435 2.838 0 50 FFAA CN(Cc1ncc(Cl)n1C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328638196 PBJUEWBAEMRWIT-JTQLQIEISA-N 361.799 2.983 0 50 FFAA Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)Cc3ccn[nH]3)cc2c1 72474656 NXMYUQSNFYYINB-LJQANCHMSA-N 365.481 2.859 0 50 FFAA CCc1nccn1CCC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 77339272 KWDOSFCLQONYDA-IBGZPJMESA-N 355.482 2.678 0 50 FFAA COc1cccc([C@@H](O)C(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)c1 378303907 HEGLFJLWEZLOQV-PKOBYXMFSA-N 357.454 2.623 0 50 FFAA Cc1noc([C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)C2CCOCC2)n1 332776233 UGCDSNLNWDZEJX-BTDLBPIBSA-N 362.430 2.761 0 50 FFAA COc1cccc([C@H](O)C(=O)N2CCCC[C@@H]2Cn2nc(C)cc2C)c1 378303706 HEGLFJLWEZLOQV-MJGOQNOKSA-N 357.454 2.623 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)Nc2cccnc2OCC(F)F)no1 378329621 FUOJLTRBJPNGSR-LLVKDONJSA-N 353.329 2.786 0 50 FFAA COc1cccc(CC[C@@H]2CCCN(C(=O)CCc3n[nH]c(C)n3)C2)c1 71576067 IITVLDQIZARFOM-KRWDZBQOSA-N 356.470 2.926 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](O)c3ccccc3C2)cnn1C1CCOCC1 378632170 JKJOWIGDZMYEQH-LJQANCHMSA-N 355.438 2.623 0 50 FFAA NC[C@@H]1CCCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 130966761 IGUIDCPDIANGCD-NSHDSACASA-N 364.799 2.896 0 50 FFAA CC1CCC(O)(Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)CC1 174713302 GAVCZEWGQVSSBZ-UHFFFAOYSA-N 356.401 2.663 0 50 FFAA COc1c(C)ccc(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)c1C 454429139 CIUXFZLHNBPPLG-AWEZNQCLSA-N 354.472 2.743 0 50 FFAA Cc1c(C(=O)N2CCC(N)CC2)nnn1-c1ccc(-c2ccccc2)cc1 237736501 OMZQRODJDNPHMJ-UHFFFAOYSA-N 361.449 2.806 0 50 FFAA COc1ccc(N2C[C@H](C)N(C(=O)CCc3cccs3)CC2=O)cc1 82098363 RDUAURLUCFBSLF-AWEZNQCLSA-N 358.463 2.953 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3F)C2)CN1CCCO 82120824 OUXCLLLCKNKHSJ-LJQANCHMSA-N 370.415 2.691 0 50 FFAA Cn1nccc1C1CCN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CC1 175866631 VZUXYOVIKNHVTR-RUZDIDTESA-N 364.446 2.708 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)N[C@H](C)c1cc(F)cc(F)c1)C2 426550693 XOGLBVYYECQQDW-LLVKDONJSA-N 364.396 2.502 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(c1ncnc3[nH]ccc13)CC2 426613003 VRZUXOGEERVDIO-PTSWNOGYSA-N 365.437 2.948 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)ccc1S(C)(=O)=O 498583070 IHJRWAOUZSDQMK-CABCVRRESA-N 352.456 2.574 0 50 FFAA Cn1c(CO)nnc1CC1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 82137668 PERLSTXKLDBEJH-KRWDZBQOSA-N 374.485 2.597 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(O)nc2cc(F)ccc12 426728133 BSNPLGUKHWMXSS-UHFFFAOYSA-N 354.385 2.954 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1csc(Cc3ccccc3)n1)CC2 426700056 OMLJNIAELFCPMK-RIFZZMRRSA-N 372.490 2.878 0 50 FFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCc2sccc21 292161503 CUJMNVKTCUFUHX-UMVBOHGHSA-N 356.513 2.781 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cccc(Cn3cccn3)c2)c1C 91646112 WJZLWTFGHMMCIL-UHFFFAOYSA-N 351.454 2.737 0 50 FFAA COc1ccc(C)cc1NC(=O)CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 95402550 JAACFICWLGDDCK-GJZGRUSLSA-N 356.422 2.674 0 50 FFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1ccccn1)CC2 95381469 MUPCRRBZWOENQY-LJQANCHMSA-N 363.461 2.631 0 50 FFAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1[nH]cnc1C(=O)O 97759333 RIPPRVBPSSYPIC-QGZVFWFLSA-N 352.394 2.985 0 50 FFAA Cc1ccc([C@H](C(=O)NC2CCN(C(=O)CC(C)C)CC2)N(C)C)cc1 91625008 ISTOKDHUXMYABL-HXUWFJFHSA-N 359.514 2.751 0 50 FFAA COCC[C@@]1(C(=O)O)CCCN(Cc2cc3c(cc2Cl)OCO3)C1 92107896 TWODVRBLAWNBMP-KRWDZBQOSA-N 355.818 2.772 0 50 FFAA O=C(c1cccc2nccnc12)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91412419 VKBGJICWMDSZIQ-IAGOWNOFSA-N 350.466 2.966 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCc2c(C)n[nH]c2C)C1 96136214 YTYNASVOBYYGQQ-GOSISDBHSA-N 354.498 2.873 0 50 FFAA Cc1nccn1CC(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 91364583 DAQAOOYBWFVBEM-UHFFFAOYSA-N 374.444 2.734 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1n[nH]c2c1CCCC2 96152739 FARMIPTWSDKMII-SFHVURJKSA-N 353.470 2.641 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]cn1)c1nc(-c2csc(C)n2)nn1C(C)(C)C 96139720 DCTKCGGPXFWRSQ-ZDUSSCGKSA-N 373.486 2.608 0 50 FFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95517501 GPUHWIXBXSCOTL-CQSZACIVSA-N 371.387 2.514 0 50 FFAA COc1ccc([C@@H](NC(=O)CC2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 243914774 BKNPHRKSYCXAPO-XQBPLPMBSA-N 366.461 2.824 0 50 FFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 244594278 DJWJRJJLRFAWCV-INMHGKMJSA-N 374.510 2.645 0 50 FFAA c1ccc2sc(N3CCN(Cc4noc([C@H]5CCCO5)n4)CC3)nc2c1 244574854 CSHNLJWRXXUSKU-CQSZACIVSA-N 371.466 2.853 0 50 FFAA Cc1ccc(C)n1CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1 253412284 QMFDTZNWSJDUOY-UHFFFAOYSA-N 355.364 2.538 0 50 FFAA CC(C)(O)CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)Nc2ccccc21 182827898 KFAFAEZNXXOGSW-KRWDZBQOSA-N 352.434 2.912 0 50 FFAA CCOC(=O)c1sc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)nc1C 534580313 RSZMUCQEWYCVQP-CQSZACIVSA-N 360.435 2.814 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 299774208 ADMKUXTZFNUPIL-ZDUSSCGKSA-N 362.861 2.930 0 50 FFAA CCCc1cnc(C)nc1NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299784355 HGVKNWWMHITMNH-UHFFFAOYSA-N 368.485 2.688 0 50 FFAA Cc1ncn(CCNC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)c1C 827654190 FJQWNELQFHRLPL-OAHLLOKOSA-N 362.433 2.818 0 50 FFAA c1sc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1CN1CCCC1 827603761 UUSFUMNANJDATO-SFHVURJKSA-N 363.571 2.888 0 50 FFAA Nc1nc(CCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)cs1 827647356 FIJKRHAXAVNYTL-INIZCTEOSA-N 362.474 2.750 0 50 FFAA CCn1nc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 584889923 BXDBONUARPXKFG-AWEZNQCLSA-N 352.442 2.869 0 50 FFAA Cc1ccc(C)c(OCCNC2CCN(C(=O)c3ccncc3)CC2)c1 67726008 WNJMKSOJWRDLLM-UHFFFAOYSA-N 353.466 2.972 0 50 FFAA O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Cl)nn1-c1ncccc1Cl 1875293160 FMEFWAACXLXBGE-JQWIXIFHSA-N 355.225 2.607 0 50 FFAA COc1ccc(CN(C)C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c(OC)c1 1875398471 RJHNBGLGSFQKPY-QWHCGFSZSA-N 373.453 2.732 0 50 FFAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)N1C[C@H](c3ccccc3)[C@@H](C(=O)O)C1)C2 1875303531 CFRRLBNQTGMPEY-RNJTYBCJSA-N 367.449 2.642 0 50 FFAA Cc1nnc(SCC(=O)N(C)Cc2cc(-c3cccnc3)no2)s1 952861079 CGUHSQKMADAJTJ-UHFFFAOYSA-N 361.452 2.647 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@H]1C(F)(F)F 886036566 VCRUERUBVKTRPA-WFASDCNBSA-N 353.344 2.840 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)Cc1ccc2c(c1)c1ccccc1n2C 1565511159 KIYUHGOPUJGBEM-PXNSSMCTSA-N 352.434 2.794 0 50 FFAA COCCN1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@H]1C 412121615 MGKOSZWCBUTDTO-CQSZACIVSA-N 351.516 2.984 0 50 FFAA COc1ccc([C@@H](C)C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cc1 271236411 AGRQIFKQGFJLDQ-CQSZACIVSA-N 361.486 2.887 0 50 FFAA COC1CCC(N(C)c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 170627330 JLAPQFVTGCOJMR-UHFFFAOYSA-N 367.877 2.601 0 50 FFAA CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 171453705 VRKXEZUQRJURQZ-IEBWSBKVSA-N 358.482 2.672 0 50 FFAA CCCC[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(CO)cc2)CC1 1529186880 MDEOGNKCAJOCCG-MOPGFXCFSA-N 358.482 2.680 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCCN(c2ccncc2F)CC1 1772815193 ZABOZRMHXKXGRJ-HNNXBMFYSA-N 359.449 2.841 0 50 FFAA COc1cccc(CN2C[C@@H]3COC[C@H](C2)N(Cc2cccnc2)C3)c1F 1772702066 JCXYMAWPIHMJTK-HKUYNNGSSA-N 371.456 2.562 0 50 FFAA COCc1cc(CN2CCCN(C(=O)c3cccnc3)CC2)ccc1OC 1775978406 NGBGXQFNENVHRI-UHFFFAOYSA-N 369.465 2.585 0 50 FFAA Cc1cnccc1CNC(=O)c1cc(CN(C)Cc2ccccc2)on1 11843809 RAXOCLLCURYEFA-UHFFFAOYSA-N 350.422 2.940 0 50 FFAA CC(C)CN1C[C@@H](C(=O)NC2CC2)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 14537593 MJCXUIXKURTDPJ-CABCVRRESA-N 361.461 2.637 0 50 FFAA CC[C@@H](O)CNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 14999760 GBAYMTJDJWTVJS-LLVKDONJSA-N 360.439 2.706 0 50 FFAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccccn2)CC1 19399638 PPOKYCIYYLJLON-UHFFFAOYSA-N 367.474 2.741 0 50 FFAA CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860071 DJDNUZNWJGNYHS-HIFRSBDPSA-N 372.918 2.797 0 50 FFAA Cc1cc(O)c2cc(NC(=O)c3ncc(C(N)=O)cc3Cl)ccc2n1 225444048 LDEZPORCFBLPRD-UHFFFAOYSA-N 356.769 2.648 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)c1cccc(Br)c1 237963783 LITPEXUALWNLBW-AAEUAGOBSA-N 356.216 2.508 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(F)cc(Cl)c1 486694330 MLANMLSYFJJYKP-QGZVFWFLSA-N 361.804 2.816 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 262205373 VXMHLZPVHRKDTC-HRCADAONSA-N 359.422 2.807 0 50 FFAA CCC(=O)N1CC[C@H](c2nc(-c3ccc(N4CCCCC4)nc3)no2)C1 158913733 GIAGHPQCHZENTD-HNNXBMFYSA-N 355.442 2.848 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2occ3c2CCOC3)CC1 803146127 JGJVQCPDJNTUIN-GOSISDBHSA-N 369.465 2.874 0 50 FFAA Cc1nc([C@H](NC(=O)[C@H]2C[C@H](N(C)C)C2)c2ccc(Cl)c(F)c2)no1 2325784773 INRQBGAJWBDSGE-LALPHHSUSA-N 366.824 2.716 0 50 FFAA CO[C@H](C(=O)NC1CC(N(C)C(=O)C2(C)CC(F)(F)C2)C1)C1CCCC1 2325794903 WECVRZZESYGHET-NRXISQOPSA-N 372.456 2.733 0 50 FFAA CC1(C)CN(C(=O)c2cnc(C3CCNCC3)[nH]2)Cc2cccc(F)c21 2325805491 MZFDNNAIQHPLMZ-UHFFFAOYSA-N 356.445 2.949 0 50 FFAA Nc1c(NS(=O)(=O)c2ccc(C3CC3)s2)cc(F)cc1C(=O)O 2325852717 PRVQQIDXULEYMJ-UHFFFAOYSA-N 356.400 2.846 0 50 FFAA CN(CCN(C)C(=O)CC1CCC1)C(=O)Cc1ccc2cnccc2c1 2325868262 UTCOBTCFBMGKEN-UHFFFAOYSA-N 353.466 2.884 0 50 FFAA COc1ccc(Cn2nc(C3CC3)nc2-c2nn[nH]c2Cl)c(OC)c1 2325875889 FATKGBYIGNPFTF-UHFFFAOYSA-N 360.805 2.660 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)C1 2325888791 ZXALQMCLHPQGHT-HOTGVXAUSA-N 358.486 2.664 0 50 FFAA O=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1 854180 OXXOKNMMPIJAAV-UHFFFAOYSA-N 370.434 2.973 0 50 FFAA COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1 912268 HKSQQURNCPHYPL-UHFFFAOYSA-N 359.363 2.847 0 50 FFAA COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)c1 1075824 HPYTXTHHJNJPPC-NRFANRHFSA-N 369.417 2.919 0 50 FFAA O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc2c(c1)OCCO2 1162965 DVHYRUBJDRMRHU-GOSISDBHSA-N 359.765 2.524 0 50 FFAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nncs1 4818419 GLIOUKPUNWCMGI-UHFFFAOYSA-N 366.402 2.706 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c(C)c1 4835016 KJQNWPLKLWASBK-QGZVFWFLSA-N 364.511 2.635 0 50 FFAA Cn1cc(C(N)=O)cc1C(=O)Oc1cnc2c(Br)cccc2c1 225758519 VIXBGBJZZZNLLE-UHFFFAOYSA-N 374.194 2.654 0 50 FFAA C[C@H](Cn1cc(Br)cn1)NCC[C@H]1C(=O)Nc2ccccc21 133982016 CMHAWNIPIBWTDA-BXUZGUMPSA-N 363.259 2.750 0 50 FFAA Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)CN1CCOCC1 20707184 DKFGIUFJQNHXRO-UHFFFAOYSA-N 371.412 2.657 0 50 FFAA COc1ccc(C2CC(=O)C(CS(=O)(=O)c3ccccc3)C(=O)C2)cc1 100323447 OJZAFKHSOAGNHE-UHFFFAOYSA-N 372.442 2.801 0 50 FFAA COc1ccc(-n2ccnc2CN2CCN(c3ncccc3C)CC2)cc1 67784805 JSJYUCTVVBZAFL-UHFFFAOYSA-N 363.465 2.907 0 50 FFAA NC(=O)CCCN1CC=C(c2cnn(-c3nccc4ccccc34)c2)CC1 67803754 WJAUAJPAPZAEBA-UHFFFAOYSA-N 361.449 2.775 0 50 FFAA COCc1noc([C@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 248455782 LDAODJLSTDXKOX-WDEREUQCSA-N 359.352 2.829 0 50 FFAA Cc1noc(-c2ccnc(Oc3ccccc3CN3CCN(C)CC3)c2)n1 67833439 OTAUZCLVEXMLQJ-UHFFFAOYSA-N 365.437 2.980 0 50 FFAA CCn1c([C@H]2CCCN(Cc3ccc(OC)c(C)c3C)C2)nn(C)c1=O 67643414 QTBHDRLSBYYUML-KRWDZBQOSA-N 358.486 2.607 0 50 FFAA CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 150761617 NDUAHLJOYILXSX-UHFFFAOYSA-N 358.463 2.921 0 50 FFAA Cc1nc(CCNc2nc(-c3ccncc3)nc3c2CCNC3)sc1C 67868800 VFARVEZJJIQAEP-UHFFFAOYSA-N 366.494 2.912 0 50 FFAA CC(C)CO[C@@H]1C[C@H](OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C1(C)C 252585219 HBOULDYCJPSHHO-ZXTQRBJTSA-N 355.500 2.823 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(NC3CCNCC3)nc2)C1 67472910 BLQNDLCJAMLMEU-QGZVFWFLSA-N 372.513 2.713 0 50 FFAA Cn1c(=O)oc2cc3c(cc21)[C@@H](c1ccc2cccc(O)c2n1)CC(=O)N3 65381708 SFQFDKFYAVQBOL-LBPRGKRZSA-N 361.357 2.859 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 128553763 BOBDIDNZMSQSPC-KRWDZBQOSA-N 357.385 2.640 0 50 FFAA Sc1nnc(Cn2cc(Cl)cn2)n1-c1cnn(Cc2ccccc2)c1 2808657 LGWHPQZAZWQJBE-UHFFFAOYSA-N 371.857 2.699 0 50 FFAA COc1cc(/C=C/C(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc(Cl)c1OC 237163704 DTBYYFVPZZQLJT-WQYAIIHGSA-N 352.862 2.956 0 50 FFAA COc1cccc(-c2cc(C(=O)NCc3ccc([S@](C)=O)cc3)[nH]n2)c1 124930077 MASWDOUBHAODHQ-AREMUKBSSA-N 369.446 2.753 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cn(CCCc2ccccc2)nn1 72156215 NLDKUFVOYRZALI-UHFFFAOYSA-N 366.469 2.533 0 50 FFAA CC(C)Cc1cc(C(=O)n2ccc(=NCC(F)(F)F)cc2)cc(O)n1 152733160 FWJJHZJBLZXXHP-UHFFFAOYSA-N 353.344 2.939 0 50 FFAA N[C@@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)C[C@H]1c1ccccc1F 333243548 FHFQCBKMBANQQP-PKOBYXMFSA-N 354.425 2.977 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3ccccc3OCC(N)=O)c2)[nH]c1C 363380232 HFJTZEVYCYHDEF-UHFFFAOYSA-N 364.405 2.810 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1C[C@H]1c1c(F)cccc1F 363539765 OQNCFHORAUTQAD-KGLIPLIRSA-N 354.360 2.965 0 50 FFAA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)n1 448657228 QEHLCWFTEAAZQR-SNVBAGLBSA-N 370.356 2.800 0 50 FFAA C[C@@H](NC(=O)c1ccc2ccccc2n1)C1(N2CCOCC2)CCCC1 173181339 ONZSKDUCFVTXBX-MRXNPFEDSA-N 353.466 2.998 0 50 FFAA CN(C)CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2ccno2)cs1 77439214 LAZIQRSDWXPXMB-AWEZNQCLSA-N 369.512 2.898 0 50 FFAA C=CC(=O)NCCC(=O)Nc1c(C)cnn1[C@H]1CCCc2ccccc21 156775722 RCSZLOGFSSBOKF-KRWDZBQOSA-N 352.438 2.748 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCO1 238059509 NPERHMOJDHGNRJ-HNNXBMFYSA-N 361.344 2.948 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)[C@@H](C)Oc2ccccc21 156870644 WCXBRQCGSTUYCO-ZBFHGGJFSA-N 368.437 2.504 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCn2cncn2)cc1 77298308 PWFQXTBQMOKZJP-IBGZPJMESA-N 355.486 2.874 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@]2(CC1)CNC(=O)O2 215479542 NRSXEZFFHQMPPL-KRWDZBQOSA-N 352.818 2.518 0 50 FFAA C[C@H](CNC(=O)N1CCC(CN(C)C)CC1)c1nc(-c2ccccc2)no1 378325280 DBQXHCYDZWSAGP-OAHLLOKOSA-N 371.485 2.823 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(Cc3ccc(OCCO)cc3)C2)c1 72162862 DRWDXODYNYVVBQ-GOSISDBHSA-N 355.434 2.821 0 50 FFAA COc1ccc(-c2noc([C@H](C)NC(=O)c3ccn(C(F)F)n3)n2)cc1 223171494 DLNRVQJXRBZBNL-VIFPVBQESA-N 363.324 2.828 0 50 FFAA CC(C)C[C@@H](O)C1CCN(C(=O)c2cn3cc(Cl)cnc3n2)CC1 82147701 MCXYLNLPWQPIBP-OAHLLOKOSA-N 350.850 2.642 0 50 FFAA CN(C(=O)NCc1cc2cc(Cl)ccc2[nH]1)C1CCS(=O)(=O)CC1 426358814 AVYMRVCQBZXNDV-UHFFFAOYSA-N 369.874 2.540 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N(C)Cc1nc(-c2ccccn2)no1)N(C)C 82107138 YWOPPBBHZDARET-SFHVURJKSA-N 365.437 2.701 0 50 FFAA CCc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)ncn1 82138356 VMKWAFQWHZEDEJ-UHFFFAOYSA-N 363.421 2.656 0 50 FFAA O=C1N(Cc2cccc(-n3cccn3)c2)c2ccccc2NC12CCNCC2 82107949 KJRWZEJPCUWKGQ-UHFFFAOYSA-N 373.460 2.953 0 50 FFAA CSc1ncc(CNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)n1C 96162534 GUKGDSQFFJHSNN-LBPRGKRZSA-N 373.482 2.979 0 50 FFAA CN(C)C1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)CC1 97346888 UNXPQKGJEGAHCB-UHFFFAOYSA-N 369.465 2.738 0 50 FFAA Cc1cc(C)nc(N2CCC(NCc3csc(N4CCCC4)n3)CC2)n1 95526555 CLBMKHKHLNLKKY-UHFFFAOYSA-N 372.542 2.909 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@@H](c3ccccc3C)N(C)C)CC2)cs1 95353321 LFHBYSFDNIKYOZ-LJQANCHMSA-N 372.538 2.707 0 50 FFAA Cc1nn(CC(=O)N2CC[C@H](c3ccccc3F)C2)c(=O)c2ccccc12 91769674 SRUFJQIHNJEFTE-HNNXBMFYSA-N 365.408 2.860 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)ccc1F 95503339 YZTAFTFQSOMBSD-KRWDZBQOSA-N 358.461 2.912 0 50 FFAA CN(CC(=O)N1CCC[C@H]1c1nc(-c2ccccn2)no1)c1ccccc1 91586117 LXQZKIHJUGBZRT-KRWDZBQOSA-N 363.421 2.932 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1C 239274911 AXGDRPKRPVSOCZ-CVYDXHPNSA-N 364.511 2.763 0 50 FFAA CCn1cc(CN2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)cn1 92065578 MKHQFQJKCGRZDR-DYESRHJHSA-N 350.510 2.967 0 50 FFAA O=C(NCCCn1nccc1C1CC1)Nc1cnn(CC(F)(F)F)c1 96167225 BFEQWRFQVWWFLH-UHFFFAOYSA-N 356.352 2.731 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCSc2ccccc21 294276509 SQTHSLBUFZWVEO-YCPHGPKFSA-N 360.479 2.843 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 95361849 IZXPGVQKUOBHPR-KRWDZBQOSA-N 365.481 2.946 0 50 FFAA CCn1ccnc1[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2F)C1 91494378 WYZGSFSFZCXRAL-AWEZNQCLSA-N 351.447 2.919 0 50 FFAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(O)cn3)CC2)C1 96132174 QRNBDPYZAHQMAV-KRWDZBQOSA-N 366.465 2.524 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](c2nccn2C)C2CC2)c1 91907512 WKWVELHMQUFBNI-QGZVFWFLSA-N 351.410 2.700 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 95529885 UOZWFQCDGOCBTH-MRXNPFEDSA-N 350.470 2.772 0 50 FFAA Cc1ncsc1CCC(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 97681776 OELXCHNFDUZLTK-OAHLLOKOSA-N 357.479 2.574 0 50 FFAA O=C(NCCc1ccccc1)C1CCN(Cc2cncn2C2CC2)CC1 240662500 PLRRYSXZCGWTTI-UHFFFAOYSA-N 352.482 2.789 0 50 FFAA CCC(CC)n1nc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1C 182975536 UIILDXFHJWUNAJ-UHFFFAOYSA-N 370.501 2.952 0 50 FFAA CCN(Cc1cc(=O)n2nc(SC)sc2n1)Cc1ccc(C)o1 252510286 ZGFBHIXKEMVTOZ-UHFFFAOYSA-N 350.469 2.796 0 50 FFAA O=C(O)c1csc(S(=O)(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 185085351 GWFDJXYIFSNEGJ-CQSZACIVSA-N 366.464 2.712 0 50 FFAA CSCC[C@H](C(=O)NCCCc1nnc2ccccn12)n1cccc1 263588630 WIUZJPZWAJBVNC-OAHLLOKOSA-N 357.483 2.574 0 50 FFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1ccc3c(ccn3C)c1)CC2 299762235 SKRAQFAWSOLIBL-HLAWJBBLSA-N 358.482 2.699 0 50 FFAA CCOc1c(Cl)cccc1NC(=O)NCc1cncn1CCOC 299771323 WBSVYAZVWBYXTD-UHFFFAOYSA-N 352.822 2.903 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCC[C@]2(CN(C)C(=O)O2)C1 299762544 XCWDGNLXDOGLIK-INIZCTEOSA-N 353.806 2.797 0 50 FFAA CC[C@@H](C)Cc1nc(-c2ccc(=O)n(C)n2)n(-c2ccc(OC)cc2)n1 822620005 JAJOZEPPTFVXKW-CYBMUJFWSA-N 353.426 2.625 0 50 FFAA COC(=O)c1ccc(-c2cccc(C(=O)NC3CCNCC3)c2)cc1OC 584902092 YRGMTYCVGANBCC-UHFFFAOYSA-N 368.433 2.631 0 50 FFAA CC(C)n1ncnc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 584904034 MCNLDSAZPLFGMQ-ZWKOTPCHSA-N 353.470 2.835 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@@H]2c2nccn2-c2cccc(F)c2)CC1 952892964 QIUMNECGYSCHJQ-HNNXBMFYSA-N 371.412 2.874 0 50 FFAA Cn1cc(C(=O)O)c([C@@H]2CCCN(Cc3cnc(Cl)c(F)c3)C2)n1 1875283103 GFSOWBDGGQEMJT-LLVKDONJSA-N 352.797 2.685 0 50 FFAA Cc1sc2nc(-c3cccnc3)nc(N3CCC[C@H]3C(N)=O)c2c1C 1875268467 DYJNEAVTHOVVHR-ZDUSSCGKSA-N 353.451 2.824 0 50 FFAA CC(C)(C)c1nc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)n[nH]1 1875293064 BFUFSMNPTOPVGC-LLVKDONJSA-N 356.348 2.584 0 50 FFAA Cc1cc(CNC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc(C)n1 1875266221 CLCJUDSXOCRSBK-UHFFFAOYSA-N 363.820 2.927 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297568 WWKPKSXWISWXSD-SWLSCSKDSA-N 366.469 2.792 0 50 FFAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1C[C@H](O)C2(CCOCC2)C1 1875306165 WDQBOOMJUDUMES-GXTWGEPZSA-N 360.237 2.592 0 50 FFAA CSc1nc(C(F)(F)F)cc(=Nc2ccc3c(c2)n(C)c(=O)n3C)[nH]1 1875303446 YAHSXWDDQOWGPK-UHFFFAOYSA-N 369.372 2.573 0 50 FFAA CN(C(=O)[C@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)C1CCNCC1 1875312340 LAJAWHZNFOMGMC-INIZCTEOSA-N 370.522 2.939 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cn4cccnc4n3)cc2F)n1 1875322712 CNCIJILHZOXBBJ-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA C[C@H]1CC[C@@H](C(=O)NC2CCC3(CC2)CCN(C(=O)c2cnc[nH]2)C3)C1 1875408514 YHSMFZIZILTZSY-OIHWYFHOSA-N 358.486 2.737 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 272363912 SPOFVLLWPGWRKZ-RYRKJORJSA-N 359.514 2.564 0 50 FFAA COCC[C@H](NCC(=O)NC(=O)Nc1ccc(C)cc1C)c1ccco1 273224283 DSIHWMVORDXSII-INIZCTEOSA-N 359.426 2.912 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cc(-c3ccccc3)no1)C2 1073297238 QTYWPYMAJNWKIZ-ZBFHGGJFSA-N 368.437 2.560 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3cc(OC)ccc3-n3cccn3)CCN12 1529158664 HYTXWRRIRZJMHH-RBUKOAKNSA-N 370.497 2.566 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1OCC 1615963324 FPIAOUJNUAVIDU-MSOLQXFVSA-N 370.449 2.867 0 50 FFAA Cc1cc(S(=O)(=O)Nc2n[nH]cc2Br)c(F)cc1F 328594071 NPZNRYOYIIBKOD-UHFFFAOYSA-N 352.160 2.560 0 50 FFAA c1ccc(CC[C@@]23CNC[C@H]2CN(Cc2nc(-c4ccco4)no2)C3)cc1 1772709766 NFYRIYZZTRITOL-UWJYYQICSA-N 364.449 2.984 0 50 FFAA CC(=O)c1cccc(NC(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 11661310 XGPGJXMITWJVSC-LJQANCHMSA-N 365.433 2.854 0 50 FFAA Cc1c[nH]c(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)n1 11664270 ZUTHBRSQUMSZLG-FQEVSTJZSA-N 370.428 2.512 0 50 FFAA CC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 11668004 JOXZZINFVHGYDU-KRWDZBQOSA-N 355.404 2.838 0 50 FFAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2 11783531 DOHQRESMDHGNIW-MRXNPFEDSA-N 369.513 2.616 0 50 FFAA CN1CCN(c2ncccc2CNC(=O)c2csc3c2CCCC3)CC1 11814526 DQNPBYKREZTQKX-UHFFFAOYSA-N 370.522 2.704 0 50 FFAA Cc1nc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4ncccn4)c3O2)cs1 12030242 GJKIVPAORVWHSH-CYBMUJFWSA-N 370.409 2.781 0 50 FFAA CCc1csc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncc(Cl)cn2)n1 1857688730 YHNJMYRMUQWHBC-STQMWFEESA-N 363.874 2.529 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Cc3ccc(F)cc3Cl)C[C@]23CC[C@H]1O3 1857736957 SAYLTNNIVBVJGK-BUIAKZPTSA-N 366.864 2.589 0 50 FFAA Cc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4cccs4)[C@H]4CC[C@]3(C2)O4)c1 1875244830 WNQOZKGQDXQCKC-QCBUCWTNSA-N 369.490 2.865 0 50 FFAA Cc1cc(C)cc(OCC(=O)N2CCN(c3nc(C4CC4)ns3)CC2)c1 301775324 QNXBCTGRLYOVEP-UHFFFAOYSA-N 372.494 2.760 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]2CC[C@@H](N)C2)CCOCC1 237267389 QQSXLLFWAKFIQD-UKRRQHHQSA-N 366.889 2.640 0 50 FFAA CCn1ccnc1CN1C[C@@H]2OC(=O)N(CCCc3ccc(F)cc3)[C@@H]2C1 249697040 UBRALCJVWWANRU-MSOLQXFVSA-N 372.444 2.680 0 50 FFAA O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(=O)n(-c2ccccc2F)n1 152969953 XTULCFQVSKVDDQ-INIZCTEOSA-N 367.355 2.928 0 50 FFAA COc1ccccc1[C@H](C)CC(=O)N1CCN(C[C@H]2CCCCN2C)CC1 264366041 BWXKHQJIKNYRRZ-RTBURBONSA-N 373.541 2.817 0 50 FFAA CN(C)CCN(C)CCCN(C)Cc1c(Br)noc1C1CC1 2325801467 JZXFKMKYLLNDGL-UHFFFAOYSA-N 373.339 2.630 0 50 FFAA Cc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 815649 NXDZDGIVNZWYHN-UHFFFAOYSA-N 368.915 2.941 0 50 FFAA C[C@H](C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1116618 COQLWKQKSTWJEI-GFCCVEGCSA-N 358.891 2.943 0 50 FFAA CCC(=O)NC(=S)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C 1179728 WJBAZZGDSRHWTO-UHFFFAOYSA-N 369.450 2.961 0 50 FFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)cc1 2875794 RCWDJGPXKRABPP-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1c(-c3ccccc3)ccnc1C)C2 2356149776 VDZFYEVTGKTGJY-UWJYYQICSA-N 352.434 2.792 0 50 FFAA CCC(=O)Oc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 4841146 LYWOQLDXKGWXQP-UHFFFAOYSA-N 351.362 2.982 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)OCc2cccc(Cl)c2Cl)cc1 4841815 ZQLPVNQSPPUBCN-UHFFFAOYSA-N 360.218 2.998 0 50 FFAA O=C(c1ccccc1Cl)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4866623 LLADQJPRZVEVRS-GFCCVEGCSA-N 353.827 2.763 0 50 FFAA CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@@H](C)Cc1ccsc1 249577553 PWHVXJYYJVVPQV-NUEKZKHPSA-N 362.495 2.703 0 50 FFAA O=C(COc1cc(Cl)ccc1Cl)N1CCN(c2ncccn2)CC1 7481393 ZOXOOAWHZBOWAT-UHFFFAOYSA-N 367.236 2.511 0 50 FFAA COC[C@@H](C)N(Cc1ccc(OC)c(OC)c1)C(=O)Cc1cccnc1 55404058 TWEORHTYRDXTHP-OAHLLOKOSA-N 358.438 2.705 0 50 FFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccs1 248287668 GPERBJVEMPOABM-LSDHHAIUSA-N 350.484 2.829 0 50 FFAA CCC[C@@H](C)C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1 67966486 ZJKMYHWYERWOPK-MRXNPFEDSA-N 370.497 2.772 0 50 FFAA CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)c1ccccc1 332414925 TVABTGSGTLTJGJ-TZIWHRDSSA-N 371.525 2.977 0 50 FFAA Cc1ccc(F)cc1NC(=O)CNC(=O)c1cccc(-c2ncc[nH]2)c1 67818697 LFURPICZIBXVKE-UHFFFAOYSA-N 352.369 2.893 0 50 FFAA CC[C@H](CNC(=O)c1cc(COc2cccc3cnccc23)on1)OC 67956518 SSJMZZBDJIXINI-CQSZACIVSA-N 355.394 2.957 0 50 FFAA COc1cccc(-c2ncc(CN3CC[C@]4(C3)CN(C)C(=O)O4)s2)c1 216462500 GEMBEIKKJIEYMO-GOSISDBHSA-N 359.451 2.845 0 50 FFAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)CCc3cccn3C)CC[C@H]21 72420429 RHLVDJPBSGRYAN-PKOBYXMFSA-N 359.514 2.843 0 50 FFAA O=C([C@@H]1CCCN1C1CCNCC1)N1CCC(Cc2ccccc2F)CC1 216137863 GKOQUMTVLOPCHQ-NRFANRHFSA-N 373.516 2.823 0 50 FFAA CCc1cccc(OCCCN(C)C(=O)[C@H]2CC3(CCNCC3)CN2C)c1 72454441 VFKSKQSECVDEPO-HXUWFJFHSA-N 373.541 2.550 0 50 FFAA O=C(N[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccn1C1CC1 216052644 ADPJXYZEYRXVPU-INIZCTEOSA-N 353.422 2.964 0 50 FFAA Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)nnn1C 333935199 JGQSHIXMCCIJIC-BBWFWOEESA-N 367.453 2.536 0 50 FFAA Cc1ccc(CNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)c2ccccc12 333914976 MPDNNJNOYQQMNN-HNNXBMFYSA-N 360.479 2.867 0 50 FFAA CCCCCCNC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712242 WWARXBXWNGCXBL-MRXNPFEDSA-N 361.486 2.672 0 50 FFAA Cc1ccc(-c2ccc(CN3CCCN(CC(=O)N(C)C)CC3)cc2)o1 215735521 YTANGUFRJKQNJJ-UHFFFAOYSA-N 355.482 2.851 0 50 FFAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)CCc1ccc(-c2cccs2)o1 72424861 WUYVVYCYXFZFNT-QGZVFWFLSA-N 371.418 2.874 0 50 FFAA Cc1cc2n(n1)CCCN(C(=O)CCc1nc(-c3ccccc3)no1)C2 77379798 HGERZTLFDFPTBL-UHFFFAOYSA-N 351.410 2.607 0 50 FFAA CCN1C(=O)[C@H]2CN(C(=O)c3sccc3-c3ccccc3)CCN2C1=O 371156253 JXIZODOGQTXFHH-OAHLLOKOSA-N 369.446 2.524 0 50 FFAA C[C@H]1C[C@@H](c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)CCN1C 239667416 BPWGLWVWJSJTQZ-MELADBBJSA-N 366.462 2.576 0 50 FFAA CC1(C)CC(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)[nH]c2C1 71385343 RBXVDBDUBIMYLX-UHFFFAOYSA-N 354.362 2.511 0 50 FFAA NCc1cccc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)c1 241588124 OZWFXDMMJORGSO-UHFFFAOYSA-N 360.417 2.723 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc(F)c(C)c3)CC2=O)c1 77288179 GEXWPFBLGXHZDT-UHFFFAOYSA-N 356.397 2.627 0 50 FFAA CCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2cnn(C)c2n1 72167438 YFNKNPJIXSKQPQ-JXMROGBWSA-N 362.481 2.761 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1Cc1cc(Cl)ccc1OCC(=O)O 77471948 BLTQUPJCMKOEGN-HNNXBMFYSA-N 368.861 2.636 0 50 FFAA O=C(Nc1ccccc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 72147399 AGXCBIGMZWIDEU-QGZVFWFLSA-N 355.413 2.545 0 50 FFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3cc(F)c(F)cc3F)C2)nn1 284923930 CRIWGFRDNJYNHV-QGZVFWFLSA-N 354.376 2.760 0 50 FFAA CC(C)c1nnsc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 220665749 JZFGTRULAQKVIJ-CABCVRRESA-N 361.467 2.766 0 50 FFAA Cc1ccc([C@@](C)(O)CNC(=O)c2ncccc2OCc2ccncc2)o1 176710081 JIUOJBBRVANFKY-FQEVSTJZSA-N 367.405 2.595 0 50 FFAA Cc1cccc(OC2CCN(C(=O)[C@@H]3CCCN3C3CCNCC3)CC2)c1 82097608 WWAJCYHBCYOPME-NRFANRHFSA-N 371.525 2.581 0 50 FFAA CC(C)c1nnc([C@@H](C)NC(=O)COCc2nc3cc(F)ccc3[nH]2)o1 220481203 FZRBHOSMCZYNKF-SNVBAGLBSA-N 361.377 2.602 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)n1 426584621 FRRZYAYMAKVLBS-INIZCTEOSA-N 369.494 2.774 0 50 FFAA CCO[C@@H]1COCC[C@H]1NC(=O)CC1CCN(Cc2ccccc2)CC1 220145860 DJWSHVCBZDTMBW-WOJBJXKFSA-N 360.498 2.599 0 50 FFAA Cc1cc(CNC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)on1 426667329 GNXRPRCCOYXQFN-CQSZACIVSA-N 368.397 2.517 0 50 FFAA C[C@@H]1CCCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 229707535 QGJBKLDOKGHNEB-COXVUDFISA-N 364.486 2.617 0 50 FFAA C[C@H]1CCc2onc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c2C1 20613877 IWVPBVUVPSCTAW-AWEZNQCLSA-N 357.429 2.897 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)CC1 95500233 XSVSJCSRFOHCFN-HXUWFJFHSA-N 358.530 2.845 0 50 FFAA O=C(c1ccc(C[C@@H]2CCCNC2)cc1)N1CCN(c2cccnc2)CC1 91793633 FQLKVZCPCYKYSB-IBGZPJMESA-N 364.493 2.586 0 50 FFAA O=C(OCCOCCN1CCOCC1)C(c1ccccc1)c1ccccc1 95861054 CPVCUXRPVAZOLN-UHFFFAOYSA-N 369.461 2.711 0 50 FFAA Cc1cc(C)c([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c(C)c1 95366466 VERUITAEFFSVFY-HXUWFJFHSA-N 353.466 2.950 0 50 FFAA CC(C)(C)C(=O)Nc1ncccc1CN1CCC[C@@H](c2cc(=O)[nH]cn2)C1 23192489 LVPFGBNPGQUOQJ-CQSZACIVSA-N 369.469 2.529 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1c[nH]nc1C1CCCCC1 91819091 RYBXLSJTEFMROK-CQSZACIVSA-N 359.430 2.664 0 50 FFAA COc1ccccc1OCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95367895 QOWFHOUASICRPF-QZTJIDSGSA-N 358.482 2.797 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(F)cc2F)C3)cn1 244678792 IKFXSPVSOCHKTM-UHFFFAOYSA-N 370.359 2.957 0 50 FFAA C[C@H](Oc1ccc(F)cc1F)C(=O)N[C@H]1CC[C@H](n2cnnc2)CC1 244884422 YMGBAFIDQIGWOH-UBHSHLNASA-N 350.369 2.624 0 50 FFAA COc1ccc([C@H]2CCN(C(=O)c3ccccc3NS(C)(=O)=O)C2)cc1 299579400 KVSINGCDBBPWRV-HNNXBMFYSA-N 374.462 2.696 0 50 FFAA Cc1ccn2c(=O)c(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cnc2c1 184762029 JHNSUBHCHVVGQI-UHFFFAOYSA-N 374.444 2.941 0 50 FFAA Cc1ccc(N2CCOC2=O)c(-c2ccc(C(=O)NCCCO)cc2)c1 534659709 DEXGEGWDZPADTH-UHFFFAOYSA-N 354.406 2.731 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4)c3CO2)cc1 263616356 IFRUNOJCCFBTQQ-QGZVFWFLSA-N 368.368 2.950 0 50 FFAA COc1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)c(OCCN)c1 299800003 YNMNIOJSLCNMEC-SFHVURJKSA-N 355.438 2.795 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)c3ccc(Cl)cc3OCCCN)C2)n1 299765567 AKSDEKMUJLFSHT-UHFFFAOYSA-N 362.861 2.578 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(-c3ccc(C)cc3)n[nH]1)CC2 299756544 GPKQTGLRXSFRKQ-MOXGXCLJSA-N 355.438 2.530 0 50 FFAA Cc1cccnc1C[C@H](C)N(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 584895127 AUAMXKAKGNKCFR-KRWDZBQOSA-N 374.529 3.000 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCc1noc(-c3cccs3)n1)C(=O)CCC2 828133631 FOBXJJNIRLKODS-UHFFFAOYSA-N 356.407 2.884 0 50 FFAA Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@H](CO)c2cc(F)c(F)c(F)c2)cc1 1875255949 NYWQMUIRWRAODN-LIXBPZJASA-N 367.367 2.727 0 50 FFAA C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)[C@@H]2C(=O)NC[C@H]21 1875319836 UWOXCFRUXZXAGU-LYSGOOTNSA-N 367.371 2.574 0 50 FFAA CN=[S@@]1(=O)CCC[C@@]2(CCCN2C(=O)c2cn(-c3ccccc3)cn2)C1 1875395848 NPNCYXCXJJESGA-AFMDSPMNSA-N 372.494 2.739 0 50 FFAA O=C(NC[C@]12CCCC[C@@H]1N(c1nnc(C(F)F)o1)CC2)[C@@H]1C[C@H]1F 1875405105 QXVLTPUJFCQQAS-OJLPPKNESA-N 358.364 2.621 0 50 FFAA COc1cccc(C)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 952980693 RSJASEWFTILXSA-INIZCTEOSA-N 352.390 2.911 0 50 FFAA O[C@H]1CN(Cc2ccc(-n3cncn3)cc2)CC[C@@H]1c1ccc(F)cc1 1565528711 KIGWWJAMAZSHMR-UXHICEINSA-N 352.413 2.757 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(Cc3cnc(-c4ccco4)nc3)CC[C@@H]21 1565509345 TXOYJUMXCCWBMX-SJORKVTESA-N 354.454 2.960 0 50 FFAA Cc1cccc2nc(C(=O)N[C@H]3CCOC[C@@H]3Oc3cccc(F)c3)cn12 1565527721 CUBNMDCXIBNLAM-WMZOPIPTSA-N 369.396 2.748 0 50 FFAA Cc1cc(O)cc(=O)n1CC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 278140071 YACPJFDZYRZMKW-UHFFFAOYSA-N 371.824 2.513 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@@H](CCSc2nc(N)cc(N)n2)C1 170601452 SMRLASXMZZEPPO-NSHDSACASA-N 353.492 2.770 0 50 FFAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 170644336 XAVVBRCJNXXKAX-WOSRLPQWSA-N 357.385 2.688 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)CC(C)(C)C(=O)O)cc2F)C[C@H](C)O1 170627450 CHVUDGZQFRLNAV-RYUDHWBXSA-N 352.406 2.879 0 50 FFAA C[C@@H](c1nnnn1C1CC1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 191985675 JVZIZADMHPOTNB-BONVTDFDSA-N 351.813 2.935 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3nnc(O)c4ccccc34)CC2)n1 1506403514 SLRJKYIROMFKMO-UHFFFAOYSA-N 367.409 2.862 0 50 FFAA Cc1cccc(N2CCC(Nc3ncc(F)c(N4CCOCC4)n3)CC2)c1 1529119231 FATMDYXAHAUENH-UHFFFAOYSA-N 371.460 2.842 0 50 FFAA Cc1cccn2ncc(C(=O)N3CCC(c4nnc5ccccn45)CC3)c12 1772711088 WAPHHKPPABZMLJ-UHFFFAOYSA-N 360.421 2.705 0 50 FFAA CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2C(=O)c2ccccc2)nn1 12078435 PBSSFKBSEXBDOI-KRWDZBQOSA-N 369.469 2.501 0 50 FFAA O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)C1CCOCC1 12133358 KSWJFPRSLVGKBR-HNNXBMFYSA-N 373.840 2.643 0 50 FFAA COCC(=O)N(Cc1ccncc1)Cc1cccc(O[C@@H](C)COC)c1 12208156 YTTXOTLFTFCCIL-INIZCTEOSA-N 358.438 2.671 0 50 FFAA O=C(c1cc[n+]([O-])cc1)N1CCC[C@](CO)(CCCc2ccccc2)C1 12429729 FMRVBBIHMBFHRI-OAQYLSRUSA-N 354.450 2.558 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(N(C)Cc3ccon3)nc2)CCN1C(C)C 12756443 YCFPIDNXKAILOF-GOSISDBHSA-N 371.485 2.651 0 50 FFAA Fc1cccc(Cl)c1CN1CCc2nnc([C@H]3CCCO3)n2CC1 14951020 FAXFNMZSLHZXSC-OAHLLOKOSA-N 350.825 2.980 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(O)c3)CC2)cc1 16606690 JJFLQPHZCZNZSN-UHFFFAOYSA-N 374.462 2.740 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(CCCc3ccccc3)C2)CC1 19607971 GDPGWLNMOAPUED-FQEVSTJZSA-N 359.514 2.858 0 50 FFAA Nc1nc(O)c(CCC[C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)c(O)n1 19862505 TWEKHKOAMDTORE-QMMMGPOBSA-N 372.208 2.968 0 50 FFAA CC1=NS(=O)(=O)N(C)C=C1C(=O)OCc1ccc(C(C)(C)C)cc1 169760434 AUOFENYFVUXIMZ-UHFFFAOYSA-N 350.440 2.562 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)C3(CCOCC3)C2)c2cccc(C)c2n1 1857694940 MCKZNTVEHYOAQS-KRWDZBQOSA-N 368.433 2.805 0 50 FFAA Cc1cc(CC(=O)N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)on1 1857697041 SHZCYKUNLDMRAV-PKOBYXMFSA-N 370.449 2.799 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)COc3ccc(C)cc3)C[C@H]21 1857700220 DRWYPXHCJHIHSD-JSFADZTLSA-N 357.450 2.834 0 50 FFAA COc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)c(Cl)c1OC 1857729522 DDBJDBYTAUCUPR-UHFFFAOYSA-N 370.858 2.970 0 50 FFAA OC[C@H]1[C@H]2CN(C3CCN(c4ccccc4Cl)CC3)C[C@]23CC[C@H]1O3 1857736163 YEXFOVWCYHADQF-LNKGRISISA-N 362.901 2.781 0 50 FFAA O=C(C1=CCCCCC1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 328616261 BNCHQSOMZCIPBM-SFHVURJKSA-N 356.470 2.867 0 50 FFAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F 123257972 AGGSMUASZIZCAB-GHMZBOCLSA-N 356.797 2.907 0 50 FFAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n(C)n1 123386144 UVGCIGSPQDEQLP-KGLIPLIRSA-N 353.344 2.695 0 50 FFAA C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 333308460 NAEXATYWDSVVJG-BZNIZROVSA-N 354.859 2.618 0 50 FFAA CC(C)Cn1ncc(C(=O)N2CCCN(c3cccnn3)CC2)c1C1CC1 156117650 AEPXHEWZJVFJIW-UHFFFAOYSA-N 368.485 2.559 0 50 FFAA O=C(O)C1CCC(NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 262617254 DRVMIARRGUVZTP-UHFFFAOYSA-N 352.239 2.915 0 50 FFAA CC(C)CN1CCC[C@@H](CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 161600061 SXAHPCBZKPESBO-INIZCTEOSA-N 370.501 2.972 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1 1704338370 SRERGPMRMKKREV-OAQYLSRUSA-N 351.450 2.843 0 50 FFAA Cc1cc(N2CCN(C(=O)c3cc4cccn4cn3)CC2)nc(C(C)C)n1 929554781 GBNUMZCNNXJSRY-UHFFFAOYSA-N 364.453 2.519 0 50 FFAA CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccncc2)c(Cl)cc1Cl 1080288 VWBLMRIPJYYIDZ-UHFFFAOYSA-N 374.249 2.891 0 50 FFAA CCn1cc(C(F)(F)C(=O)N[C@H](C(=O)OC)c2ccc(C)c(C)c2)cn1 2325739022 OGTPNCCXUFOWCO-HNNXBMFYSA-N 365.380 2.642 0 50 FFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCCN[C@H](c2ccccc2)C1 2325783232 GJERJMUHFIIBQR-IBGZPJMESA-N 361.449 2.508 0 50 FFAA Brc1cccn2cc(CN3CCNC[C@H]3c3ccccn3)nc12 2325783498 BHEHMYDAIXDMJA-INIZCTEOSA-N 372.270 2.638 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC(=O)Nc4ncccc43)cc2)c1C 2325840853 UEJINBNTVTUBDA-KRWDZBQOSA-N 361.405 2.949 0 50 FFAA CSCCc1nc(-c2c[nH]c3cc(F)ccc23)n(-c2ncnn2C)n1 2325862009 FZCRYKJMUXKGHZ-UHFFFAOYSA-N 357.418 2.589 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCN(c2ccc(F)cc2F)CC1 1454728074 URUYEHPDHGJUGR-UHFFFAOYSA-N 372.419 2.922 0 50 FFAA NC1=NC(=O)C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 912799 JOAVDLMGXRZXKN-QMMMGPOBSA-N 351.737 2.644 0 50 FFAA COc1ccccc1COn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 1127169 JSCGXLWRZMUWEH-UHFFFAOYSA-N 374.396 2.939 0 50 FFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1 1138748 UOZMGOIDTQMIRQ-UHFFFAOYSA-N 360.479 2.690 0 50 FFAA O=C1OC[C@H]2CN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)C[C@@H]12 2356138670 OXJYIQFBQDMMIM-RHSMWYFYSA-N 359.385 2.542 0 50 FFAA Cc1ocnc1-c1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1Cl)C2 2356146160 UZVKITGWHPVXGO-JTQLQIEISA-N 357.801 2.998 0 50 FFAA CC(=O)O[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3078725 YNAKWGKKOVYPDS-MRXNPFEDSA-N 353.827 2.923 0 50 FFAA O=C(c1ccccn1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 8048354 GIOJPBLUOQOGNU-UHFFFAOYSA-N 371.462 2.505 0 50 FFAA O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccc(F)cc2)CC1 22298740 VUOVGSGOPJBBBX-OAQYLSRUSA-N 370.468 2.876 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 246957304 OFGUYNBZLBPJII-NEWSRXKRSA-N 369.509 2.589 0 50 FFAA Cc1ccc(N2CCN(CCNC(=O)NCc3ccccc3)CC2)cc1 55558717 JKMRCEBFUCMRSO-UHFFFAOYSA-N 352.482 2.616 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 20724374 NZCFWCBLUXSEKM-RMKNXTFCSA-N 373.456 2.999 0 50 FFAA Cc1nc(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cs1 67491303 MOEDYTOPBZEHIZ-FQEVSTJZSA-N 373.522 2.527 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCCc1ccccn1 67472776 KWYIAKHDPJPIGA-NRFANRHFSA-N 359.514 2.538 0 50 FFAA CC1(C)CN(C(=O)[C@]2(O)CCOC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 331566332 JWVLWWBEVGGLRA-PBHICJAKSA-N 373.371 2.535 0 50 FFAA Cc1nc(-c2cccc(N3CCC(N4CCNC(=O)CC4)CC3)c2)cs1 20449662 UOGBVJBFSGSOHK-UHFFFAOYSA-N 370.522 2.909 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc(N)[nH]n3)CC2)c1 67726361 NQZSXPOEYDUVBV-UHFFFAOYSA-N 350.426 2.710 0 50 FFAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ncc(F)cc1F 428734209 YRSJTAVGNFABRM-UHFFFAOYSA-N 350.712 2.993 0 50 FFAA CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)C(C)C)c(C)o1 11790079 DSVRMODXOVDCJY-UHFFFAOYSA-N 365.455 2.684 0 50 FFAA CN(Cc1ccon1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11878860 IREYXZPZDURQOD-CQSZACIVSA-N 361.829 2.725 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1 67786257 WZFOQKXSYFGZGB-UHFFFAOYSA-N 354.410 2.918 0 50 FFAA Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)N1CCC2(CC1)OCCO2 2774970 ROTMPRFCRZGADO-JTQLQIEISA-N 363.792 2.709 0 50 FFAA Cn1c(=O)c(CN2CCC3(CC2)c2ccccc2C[C@H]3O)cc2ccccc21 72145271 SIEHAOXAWKLURN-JOCHJYFZSA-N 374.484 2.989 0 50 FFAA Cc1ncn(CC(=O)N2CCC[C@H](c3nc4ccccc4n3C)C2)c1C 218877976 OOBYNPSBSYUISN-INIZCTEOSA-N 351.454 2.793 0 50 FFAA CN1C(=O)CC[C@@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 479844093 XXUVTZPWTYUSGH-GOSISDBHSA-N 356.397 2.642 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC2(CC1)CN([C@@H](C)CCC)C(=O)O2 72426022 QOIQEYIIOLQEKZ-AWEZNQCLSA-N 362.474 2.978 0 50 FFAA CC(C)(C)c1nnc2ccc(N3CC[C@]4(C3)C(=O)Nc3ccccc34)nn12 369019671 ZIPMKWPTADXTIS-HXUWFJFHSA-N 362.437 2.522 0 50 FFAA O=C(O)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 238034533 CWGPGHSZSMGVDI-UHFFFAOYSA-N 351.200 2.867 0 50 FFAA Cn1ccnc1CN(C(=O)c1cccc(Cl)c1)[C@@H]1CC12CCNCC2 261900501 WLESUDJJHJDNIA-MRXNPFEDSA-N 358.873 2.858 0 50 FFAA O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CCCC1CCOCC1 375801412 JUQJRGDLPSFOIB-QZTJIDSGSA-N 354.491 2.563 0 50 FFAA C[C@@H](CNC(=O)N1CCC(CN(C)C)CC1)c1nc(-c2ccccc2)no1 378325279 DBQXHCYDZWSAGP-HNNXBMFYSA-N 371.485 2.823 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 77354536 REILMJOMWCNUQF-AWEZNQCLSA-N 361.392 2.752 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3c(C)nc4sccn34)C2)CCC1=O 72439062 GSNGCQHQIUAOGA-GOSISDBHSA-N 360.483 2.569 0 50 FFAA CC(C)c1ccn(C2(C(=O)O)CCN(C(=O)c3ccc(F)cc3)CC2)n1 72447403 OZGYQGMYXIXBMC-UHFFFAOYSA-N 359.401 2.862 0 50 FFAA C[C@H](O)c1cc2n(n1)CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 222748432 BVGOIZNQKCEBCJ-AWEZNQCLSA-N 352.438 2.783 0 50 FFAA Cc1ncc(CN2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)[nH]1 42484220 WIYSBSXPJFGCTQ-IBGZPJMESA-N 364.453 2.815 0 50 FFAA Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)c2ccccc21 223897592 JISFXLFUCSBKEA-QUCCMNQESA-N 365.433 2.677 0 50 FFAA CCC[C@H](NC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1)c1nccn1C 426580664 GGGSBUZGAWVMLQ-HNNXBMFYSA-N 373.457 2.793 0 50 FFAA COc1cccc(CCNC(=O)NC2(CO)CCCCCC2)c1OC 426667544 RMPHHFUCQQBPMM-UHFFFAOYSA-N 350.459 2.631 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)C(C)(C)N1CCOCC1 221322169 BCHGFIVJHZLHJN-UHFFFAOYSA-N 363.889 2.899 0 50 FFAA Cc1ccc2[nH]c(C(=O)N[C@H](c3cnn(C)c3)C3CC(O)C3)c(C)c2c1 223424162 DYLOAUOEARNCLF-XBMPDCEQSA-N 352.438 2.760 0 50 FFAA C[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)[C@@H]1OCCc2sccc21 292690833 GVBPZGABEWFKHI-KDOFPFPSSA-N 372.494 2.527 0 50 FFAA O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2ccn(CCO)n2)C1 426690226 DORPENRKJGJVSA-AWEZNQCLSA-N 367.371 2.914 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CN1C(=O)CCc2ccccc21 95518831 BVTQUNWGUDLLGV-QGZVFWFLSA-N 353.422 2.934 0 50 FFAA NC(=O)Cc1nc(CN2CC[C@H](c3ccccc3)C2)n(C2CCCCC2)n1 96132521 ALKRMCBAGUCAJP-KRWDZBQOSA-N 367.497 2.801 0 50 FFAA CCCc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cs1 92081417 NUAKQLRNDVUNLK-UONOGXRCSA-N 357.483 2.627 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)NCCCc3cccnc3)ccc21 96138551 MSEBRYLSROVYPF-UHFFFAOYSA-N 354.410 2.581 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)N1CCC[C@H](C(=O)N2CCCC2)C1 97681756 ZFHTXCXJUULLGJ-INIZCTEOSA-N 367.453 2.739 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCC4(CCO4)CC3)CC2=O)cc1 91713755 AYFIYSPUDSXFMA-KRWDZBQOSA-N 356.466 2.944 0 50 FFAA Cc1ccc(C)c2c(=O)cc(CN[C@@H]3CCCN(C(=O)C4CC4)C3)[nH]c12 91876933 NWVHGGOAMDGWHW-MRXNPFEDSA-N 353.466 2.636 0 50 FFAA CCc1ccccc1OC1CN(C(=O)[C@H]2CN(C)c3ccccc3O2)C1 97729471 RXEKSGCUXACQIR-HXUWFJFHSA-N 352.434 2.736 0 50 FFAA COc1ccc(CN(C)C(=O)c2cnn3cc(C)cnc23)c2cccnc12 97636612 SHFOFQXOSGHLBL-UHFFFAOYSA-N 361.405 2.867 0 50 FFAA CSc1ccccc1CN1CCC2(CCC(=O)N(CCCO)C2)CC1 92028021 FAJBJTROCPWSOC-UHFFFAOYSA-N 362.539 2.996 0 50 FFAA COc1ccc([C@H](NC(=O)c2cn(C)c3ccccc23)[C@H]2C[C@@H](O)C2)cn1 244764178 PCRAEARTFREJJR-MDOVXXIYSA-N 365.433 2.824 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)C1(N2CCCC2)CCCC1 244701262 KDCQBOAWMRJAOS-VAMGGRTRSA-N 356.510 2.893 0 50 FFAA O=C(O)c1[nH]ncc1CN1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67588580 GHPNUAAVSWSLIS-AWEZNQCLSA-N 351.410 2.878 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)Nc1cccc(N2CCN(C)C2=O)c1 299781757 FAXQREXMUDQNJU-UHFFFAOYSA-N 370.457 2.653 0 50 FFAA Cc1cc(CNC(=O)N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cnc1C 584887746 VEVWKGZFRWHBII-KRWDZBQOSA-N 358.486 2.631 0 50 FFAA Cc1cc(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)on1 864097527 VFIBSKJYISDNMQ-ZDUSSCGKSA-N 369.874 2.677 0 50 FFAA CC(=O)N1CCC[C@H]1c1nc(CS(=O)(=O)c2ccccc2)cs1 864368197 LPENLYMUFGQTFI-HNNXBMFYSA-N 350.465 2.800 0 50 FFAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2oc3ccccc3c2C)n[nH]1 952889041 QGXPOVFSCBUWHM-GDBMZVCRSA-N 354.410 2.812 0 50 FFAA O=C(NC[C@H]1CCN1C1CC1)N1CCC2(C=Cc3ccccc3O2)CC1 952852276 JHTBKSVUCUPTOI-GOSISDBHSA-N 353.466 2.873 0 50 FFAA O=C(NCc1nc(C2CC2)no1)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1 1875271928 WMSYUANEBRQUCM-CYBMUJFWSA-N 364.352 2.588 0 50 FFAA COC(=O)[C@@H]1CC[C@](F)(CNC(=O)COc2ccccc2C(C)C)C1 1875308824 ZSQGHQZGHXJSQT-AUUYWEPGSA-N 351.418 2.986 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CCO[C@](CC)(C(F)(F)F)C2)cc1 1875368916 FNLKAXWCDCBGOQ-INIZCTEOSA-N 356.344 2.995 0 50 FFAA Cn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)C3CCC(C4CC4)CC3)CC1)O2 1875394532 LMVNCVRECWVWOH-OFLPRAFFSA-N 373.497 2.814 0 50 FFAA O=C(Cc1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1)N1CCCC1 896195559 WFSXGVWOKZTJNX-UHFFFAOYSA-N 361.829 2.653 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)cc1C 1565528290 DMYXTPCNTUESLW-RDJZCZTQSA-N 362.451 2.564 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(Cc2cnc(O)c3ccccc23)CC1 1473292245 UYQLRIIDIPOUDI-GOSISDBHSA-N 352.438 2.620 0 50 FFAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)cc1 278481020 APXZLWATMAERRF-BEFAXECRSA-N 372.490 2.802 0 50 FFAA CCn1cc([C@H]2CN(C(=O)Cc3ccc(-n4cccc4)cc3)CCO2)cn1 170611624 XARGLFCAQSCEQB-HXUWFJFHSA-N 364.449 2.836 0 50 FFAA COCCN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C 170601584 VAVVTFSAIJFJLS-ROUUACIJSA-N 369.550 2.676 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1 11690032 VPLICSMRUWCUIU-UHFFFAOYSA-N 353.357 2.926 0 50 FFAA Cc1occc1C(=O)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 12431835 KPPMDVMDUPUGAH-HXUWFJFHSA-N 353.422 2.638 0 50 FFAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cnc(N)nc2)C1 12464771 FXJFBSHAHZMFCR-ZDUSSCGKSA-N 360.845 2.816 0 50 FFAA CN(C(=O)CCN1CCCCO1)[C@@H]1CCCN(CCCc2ccccc2)C1 12589414 LMFZWFPEHKJBLA-OAQYLSRUSA-N 373.541 2.960 0 50 FFAA C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 13153131 DVAITSLMLOSNOV-STQMWFEESA-N 372.494 2.901 0 50 FFAA Clc1ccc(-c2noc(CN3CCCN(c4ncccn4)CC3)n2)cc1 15064172 FNCJBXYGHKMGKC-UHFFFAOYSA-N 370.844 2.892 0 50 FFAA COc1ccccc1NC(=O)CSC1=NC(=O)C[C@H](c2ccccc2)N1 18093739 ZMXVWDFOZLNUEI-OAHLLOKOSA-N 369.446 2.984 0 50 FFAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccccc2)c1 19168970 QKUSLTJRZAQGFN-UFYCRDLUSA-N 361.445 2.839 0 50 FFAA CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 19842727 OTJUWCOONVBXFD-UHFFFAOYSA-N 362.470 2.895 0 50 FFAA CCOc1cc(=O)n2c(c1C(=O)Nc1cccc(C(=O)OC)c1)CCCC2 169752955 WWLQOBKHZBEPDN-UHFFFAOYSA-N 370.405 2.622 0 50 FFAA Cc1c[nH]c(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)c(C)c1=O 1857700547 DSUDUZMKEKHUGA-UHFFFAOYSA-N 362.477 2.993 0 50 FFAA CCc1nnc(N2C[C@@H](C(=O)NCc3cc4ccccc4o3)CC2=O)s1 1857734387 QYVKWYITBXAHDA-LBPRGKRZSA-N 370.434 2.516 0 50 FFAA COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCNC1 126190619 JXFPRRMYJKKQQS-OAHLLOKOSA-N 362.433 2.640 0 50 FFAA O=C(NCc1ccccc1-c1ccncc1)c1ccc(-n2cncn2)nc1 363345717 RVKCZLNLVFTRER-UHFFFAOYSA-N 356.389 2.654 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)on1 1704329526 WFPQLHFVGULFAN-HXUWFJFHSA-N 369.469 2.774 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 712599 CSUMDGMGMXNRDI-AWEZNQCLSA-N 370.380 2.994 0 50 FFAA CSc1ccc(Cl)c(C[C@H]2NC(=O)[C@@H](CC(F)(F)F)NC2=O)c1 2325787704 QIDJSDFIBKFWCJ-GHMZBOCLSA-N 366.792 2.540 0 50 FFAA CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3COCCC3(F)F)c2O1 2325791292 LGBBTUYBNSHWQK-CYBMUJFWSA-N 355.381 2.567 0 50 FFAA COc1ccc2cc(CNc3cnc4c(c3)C[C@H](N)CC4)c(O)nc2c1 2325801489 KYDSMULEIAQUIL-OAHLLOKOSA-N 350.422 2.772 0 50 FFAA O=C(Nc1ccccc1)c1ccc(CN2CCNC[C@H]2c2cn[nH]c2)cc1 2325858908 GJRVBQXEYMTDKG-FQEVSTJZSA-N 361.449 2.809 0 50 FFAA COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 1114724 PFMVEDZVZKMKHB-OAHLLOKOSA-N 358.413 2.950 0 50 FFAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc2c(c1)OCO2 1131701 GTVHEEZBOYOSPF-HNNXBMFYSA-N 356.330 2.917 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@]12CCCN(C)C2=O 2356140012 QBHWMYKKNMWWOZ-GOSISDBHSA-N 350.846 2.641 0 50 FFAA Nc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 2849038 XARRUJQCNKMENO-UHFFFAOYSA-N 351.435 2.531 0 50 FFAA Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](O)C2)c2c(C)noc2n1 2356156758 PDRDDKNUIVJBHH-NVXWUHKLSA-N 351.406 2.830 0 50 FFAA Cc1ncc(C(=O)NS(=O)(=O)c2cc(Cl)c3c(c2)C[C@H](C)O3)s1 225393595 YQOAMOVMTJQYCW-ZETCQYMHSA-N 372.855 2.547 0 50 FFAA COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 10543161 UERKYWBOIPCBME-UHFFFAOYSA-N 365.451 2.624 0 50 FFAA OCC[C@H]1CN(C2CSCCSC2)CCN1Cc1ccccc1F 20911152 HQVOYNDFOJNJQO-INIZCTEOSA-N 370.559 2.543 0 50 FFAA O=C(CCc1cn2ccccc2n1)N(Cc1ccccn1)C[C@H]1CCCO1 55197497 MJWOKFUIHSOILI-LJQANCHMSA-N 364.449 2.870 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cnc2ccccc2c1 67694968 OVHQAXQULNJJIE-SFHVURJKSA-N 362.433 2.521 0 50 FFAA Cc1nn(CCN2CCOCC2)cc1CN[C@@H](C)c1cc(F)cc(F)c1 65408621 XROBRGOMQPASOS-AWEZNQCLSA-N 364.440 2.653 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CCO 20906982 FWEDTDVEGFWGHN-FQEVSTJZSA-N 374.504 2.926 0 50 FFAA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@@H]1C(=O)O 136520281 MHSZUFBELCOXRZ-BXKDBHETSA-N 373.236 2.577 0 50 FFAA CCCN(CC1CC1)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67772353 KPDVCOOTGPWHRN-KRWDZBQOSA-N 373.497 2.624 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)c2ccc(OCC3CC3)cc2)c1CC 120970434 DAGSTIDLMLXGMT-UHFFFAOYSA-N 355.438 2.614 0 50 FFAA Cc1cccnc1-n1nc(-c2ccccc2)nc1CCCN1CCOCC1 63868196 PIGMGKLWTIOJIP-UHFFFAOYSA-N 363.465 2.903 0 50 FFAA OC[C@@]1(Cc2ccccc2F)CCCN(c2nnnn2-c2ccccc2)C1 67919735 QDUFAHZPWYMSEW-HXUWFJFHSA-N 367.428 2.623 0 50 FFAA O=C(C[C@H](O)C(Cl)(Cl)Cl)C[C@H](O)C(Cl)(Cl)Cl 1735918 OOHSANVRWZOWHG-WHFBIAKZSA-N 352.856 2.798 0 50 FFAA biogenic Cc1ccc(CN2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)o1 71746646 QUGJVEPCJORRLH-UHFFFAOYSA-N 352.438 2.901 0 50 FFAA O=C(c1ccc(N2CCOCC2)c(F)c1)N1CCSc2ccncc21 124975417 SXISRXQNSSXULN-UHFFFAOYSA-N 359.426 2.810 0 50 FFAA O=C(COc1ccc2nncn2n1)N1CCC[C@H](c2ccc(Cl)cc2)C1 219716395 KALABDKULYMJIZ-AWEZNQCLSA-N 371.828 2.563 0 50 FFAA CN1CCc2n[nH]c(C(=O)N3CCc4[nH]c5c(Cl)cccc5c4C3)c2C1 72479601 BCGNAJJBDLMXKZ-UHFFFAOYSA-N 369.856 2.731 0 50 FFAA O=C(NCCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@H]2CCCC[C@H]21 332791811 YRWNOKTUSLOGPN-KBAYOESNSA-N 353.470 2.928 0 50 FFAA CCc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2nccc2n1 72428641 SFORWFSOWFLSPK-UHFFFAOYSA-N 363.465 2.825 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CC[C@@H](OCC(C)C)C2)C1 158804312 PCJFKDNTDQHOTC-DLBZAZTESA-N 361.486 2.730 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 72424664 DXFQEWGICJCCGL-UHFFFAOYSA-N 372.509 2.865 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 368792135 VAVZXDACGDNLGX-JOCHJYFZSA-N 372.428 2.667 0 50 FFAA O=C(O)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(CCC(F)(F)F)C1 71440046 UAQJSJABMPBSEG-QWRGUYRKSA-N 362.323 2.739 0 50 FFAA C[C@H](C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1cccs1 157109432 PTGPEKLIFZUJCH-ZDUSSCGKSA-N 368.462 2.713 0 50 FFAA O=C(O)CCNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 238171503 WDXCFZYEOLDXIS-MRXNPFEDSA-N 374.824 2.792 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cccnc3OC)C2)CCC1=O 77470336 ZBUADEVMCKHOPP-HXUWFJFHSA-N 359.470 2.735 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]([C@@H](C)CC)C(F)(F)F)CC2 373157599 COUXRNXAQAJMCQ-IGQOVBAYSA-N 366.424 2.925 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)c3ccnc(-n4cnnc4)c3)cc2c1C 71759775 IOJTZDTXNCRBNL-UHFFFAOYSA-N 360.421 2.944 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(=O)oc3cc(O)ccc23)C1 375159740 MSMDNDRTCYMLJD-INIZCTEOSA-N 370.405 2.895 0 50 FFAA O=C(O)C1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 40266217 IJGJIAPBOBUZNC-UHFFFAOYSA-N 365.227 2.727 0 50 FFAA COc1csc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1 176594656 QQBNBYBGDDYYGY-CYBMUJFWSA-N 359.451 2.951 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)c3ncccc3OCC(F)(F)F)C2)n1 176974590 ZRQGKJIHWGKXDC-LLVKDONJSA-N 370.331 2.734 0 50 FFAA COc1cccc(CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)c1F 263532617 NEZDIGDETVAZJO-INIZCTEOSA-N 359.397 2.921 0 50 FFAA Cn1cc(C(=O)O)c(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)n1 20614428 ZCOBTQDEOFDRLQ-UHFFFAOYSA-N 364.333 2.772 0 50 FFAA CCSCCNC(=O)c1ccc(-c2ncccc2C(=O)N(C)C)cc1 426746348 UEPXKFRTOSHAOY-UHFFFAOYSA-N 357.479 2.933 0 50 FFAA COC(=O)Cc1ccc(F)c(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1 426387586 BYDVFXCYCUNDIB-MRXNPFEDSA-N 357.381 2.727 0 50 FFAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@H](Cn4ccnc4)C3)nc12 222618489 FDMOSLOQKMEIMY-MRXNPFEDSA-N 367.453 2.523 0 50 FFAA CS[C@H](C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 82097983 AWTXTHHQZYQXQA-CQSZACIVSA-N 350.532 2.647 0 50 FFAA CC[C@@H](C(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1)N1CCCC1 96150298 YHOIAMXRTCLZQJ-IBGZPJMESA-N 368.481 2.844 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2nn3cc(C)cnc3c2Cl)CC1 91425058 IALCPHZFCNFMKK-UHFFFAOYSA-N 372.860 2.927 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Cc2c(C)[nH]c3c(F)cccc23)on1 91664254 MICFQZAMHLMRJR-ACJLOTCBSA-N 371.412 2.828 0 50 FFAA CN1CCC[C@@]2(CCN(C3CCN(c4ccc(F)c(F)c4)CC3)C2)C1=O 91391099 LVXVVJOSCZMMLL-FQEVSTJZSA-N 363.452 2.878 0 50 FFAA Cc1cc(C)c(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(C)c1 180375182 LRNGOXFHSZUUDA-UHFFFAOYSA-N 366.461 2.845 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)c2cc(F)ccc2N1 91808263 RVCXAYAZOOQVIT-HNNXBMFYSA-N 370.380 2.729 0 50 FFAA O[C@@H](c1ccccc1)c1nc(CN2CCOCC2)n(C2CCCCC2)n1 96137513 LIPPTTYRNZYRKC-IBGZPJMESA-N 356.470 2.697 0 50 FFAA Cc1cc(C(=O)NCCc2ccccc2C(F)(F)F)c(=O)n(C)c1C 97529085 OZSXPOCTFRKXQK-UHFFFAOYSA-N 352.356 2.993 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1nc(Cc2cccs2)no1 97696137 GWVDANDQUUSKQR-UHFFFAOYSA-N 371.466 2.573 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@@H]2C=Cc3cc(C)ccc3N21 248382016 VRDUDBDQAGEVGG-WNRNVDISSA-N 352.434 2.568 0 50 FFAA CC(C)Cc1cc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc(O)n1 183486321 ASXYTVNQHPVEOB-MRXNPFEDSA-N 353.422 2.842 0 50 FFAA Cc1ccc(NC(=O)CCNC(=O)c2ccccc2-c2nc[nH]n2)c(C)c1 828055649 JPCXYXCLUPFCOV-UHFFFAOYSA-N 363.421 2.847 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCCN(C(=O)c2ccco2)C1 828013151 WWTPMBJFWRHSOE-INIZCTEOSA-N 372.396 2.803 0 50 FFAA O=C(NCCCn1ccc2ccccc21)c1cc(=O)n(-c2ccccc2)[nH]1 828140740 IJVFONOVTCWXBP-UHFFFAOYSA-N 360.417 2.940 0 50 FFAA CCCCc1nc(-c2nn(C)c3ccccc23)n(C[C@@H]2COCCO2)n1 584884319 AEJKRNFHSZHZOF-CQSZACIVSA-N 355.442 2.590 0 50 FFAA NC(=O)N1CC(OC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)C1 1875287604 QWNRJPMOCYELMX-UHFFFAOYSA-N 354.284 2.885 0 50 FFAA CC(C)CN1C[C@H](c2noc(-c3cccc4oc(O)nc34)n2)CCC1=O 1875268239 SOOVCZVBJSERMG-LLVKDONJSA-N 356.382 2.945 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC3=NO[C@H](C)C3)c12 1875311986 FNESMTFBYFTCFQ-GFCCVEGCSA-N 363.421 2.838 0 50 FFAA COC(=O)[C@H]1CC[C@H](C(=O)NC[C@@H](C(=O)O)c2ccc(Cl)cc2)CC1 1875334185 CMHSONNGOMASQM-UMVBOHGHSA-N 367.829 2.604 0 50 FFAA O=C1CN(Cc2cccc(N[C@H]3c4ccccc4CC3(F)F)c2)CCN1 1875347878 VBQIMAHTEJQDMC-IBGZPJMESA-N 357.404 2.963 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc(C(F)(F)F)n3)nn(C)c21 1875404112 VKIDEUMIDGOGDP-ZJUUUORDSA-N 368.359 2.786 0 50 FFAA CNS(=O)(=O)c1cccc(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 888094319 HSBBQVINEPIARX-INIZCTEOSA-N 363.483 2.803 0 50 FFAA O=C(Nc1ccccc1-c1nc2ccccc2s1)N1C[C@@H](O)C[C@H]1CO 185907492 PPTFAVJESYFFLB-STQMWFEESA-N 369.446 2.923 0 50 FFAA Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)nc2F)cc1 170610463 XRTXRULMTUNECV-UHFFFAOYSA-N 351.378 2.979 0 50 FFAA Cc1csc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)n1 170804235 ZRWUWRLMOBFDJL-JSGCOSHPSA-N 359.451 2.639 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3C[C@@H](C)[C@H](CO)C3)c3c2CCC3)c(C)c1 191852283 UXULGIBJKBWONH-CVEARBPZSA-N 353.466 2.678 0 50 FFAA O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 194931072 MVXGWWFYCLZXHV-UXHICEINSA-N 366.461 2.711 0 50 FFAA Cc1ncc(CO)c(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1O 1506407981 ZUQRFVYOTODDPI-CQSZACIVSA-N 352.438 2.844 0 50 FFAA O[C@H]1C[C@@H]2CN(CCCN3CCN(c4cccc(Cl)c4)CC3)C[C@@H]2C1 1775984260 LOAUCAGAUCOKFE-YRWFTTLQSA-N 363.933 2.555 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)c2cccc(OC)c2)C1 11661203 QUNFTZBTCZIOFL-INIZCTEOSA-N 355.438 2.955 0 50 FFAA CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccs1)CC2 11872321 CEWJNSWMWARLSH-MRXNPFEDSA-N 361.515 2.621 0 50 FFAA Cn1c(CCNC(=O)CC2CCCC2)nnc1SCc1ccccn1 12243703 ORCFBGPYPNQTLF-UHFFFAOYSA-N 359.499 2.741 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)c1cn(Cc2cccc3ccccc23)nn1 12757939 UOPNCJDLBKFLOC-INIZCTEOSA-N 374.448 2.885 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1Cl 13669966 QBQZFJPRXGELTH-UHFFFAOYSA-N 360.907 2.749 0 50 FFAA O[C@H](COc1cccc(CN2CCSCC2)c1)CN1CCCCCC1 14962212 QOWGDBJWBYYYPM-IBGZPJMESA-N 364.555 2.851 0 50 FFAA OCc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)o1 19798786 BDUMZLXIQVKKMV-KRWDZBQOSA-N 373.472 2.698 0 50 FFAA COc1ccc(N2CCN(Cc3cccc4ccnn34)[C@@H](C)C2=O)cc1 1857678003 QFBFSXVHIPBAOC-HNNXBMFYSA-N 350.422 2.580 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCC[C@H]1CO 1857706438 RTEATGZYPIWSGP-AWEZNQCLSA-N 363.845 2.681 0 50 FFAA Nc1nccc([C@H]2CCCN(C(=O)c3coc(C4CCCCC4)n3)C2)n1 329126250 YKHUVWHAHXEIJB-AWEZNQCLSA-N 355.442 3.114 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2ccnc(O)c2)C1 332372563 WYZQUFNNJOWSPF-NSHDSACASA-N 354.332 2.559 0 50 FFAA CCOC(=O)CN(CC(C)C)C(=O)[C@H](C)n1ccc2ccccc2c1=O 241139427 JQVMPBSLABGHBY-HNNXBMFYSA-N 358.438 2.610 0 50 FFAA COc1cc(C)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 14632508 APDSXNZNGSBTGB-STQMWFEESA-N 351.399 2.845 0 50 FFAA in-vitro O=C(O)C[C@@H](O)c1ccccc1-c1ccc2c(c1)CC[C@]1(COC(=O)N1)C2 901000530 QSELHZNHIGSVQE-WIYYLYMNSA-N 367.401 2.829 0 50 FFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CCCC1 829694 SRDQBWLURNFWBA-UHFFFAOYSA-N 362.426 2.643 0 50 FFAA CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 1064075 FZBLPYSJDSHKAF-UHFFFAOYSA-N 371.462 2.594 0 50 FFAA O=S1(=O)c2ccccc2N=CN1Cc1ncccc1Br 2325702837 IXCZABPCNVIPQD-UHFFFAOYSA-N 352.213 2.708 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)C2CC4(C2)[C@H](C(=O)O)C4(F)F)C3)cc1 2325781975 JTIQETAZDVFXNP-RJJVFTBASA-N 361.388 2.841 0 50 FFAA C[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)c1cccc2cc[nH]c12 2325806332 HMZNGPCSHQJLAN-MRXNPFEDSA-N 363.465 2.562 0 50 FFAA CC(=O)N(C)C[C@@H]1CN(C(=O)c2ccc([C@H]3CCC3(C)C)cc2)CCO1 2325848296 CWYJBJZZECKACZ-RTBURBONSA-N 358.482 2.910 0 50 FFAA C[C@@H]1CN(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)CCN1 2325859252 SLYWNXNTRSUOIT-CQSZACIVSA-N 350.422 2.998 0 50 FFAA CC(C)CC(=O)NCC[C@H](C)N(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868013 LTMQTRJPLMKVAO-OOKSDGMUSA-N 351.535 2.649 0 50 FFAA Cc1cccc2c1c(CCNC(=O)c1cn3cc(CN)ccc3n1)cn2C 2325873412 GGHMTMMVANZQSE-UHFFFAOYSA-N 361.449 2.566 0 50 FFAA O=C(N[C@@H](Cc1coc2ccccc12)C(=O)O)c1csc2nccn12 2325876097 KRQDSEJQJGYCEN-LBPRGKRZSA-N 355.375 2.568 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)C1 2325889573 XJTYBPLSEKUMPP-PBHICJAKSA-N 362.420 2.923 0 50 FFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 643305 UILKNIUYRYEYHM-CQSZACIVSA-N 359.451 2.897 0 50 FFAA COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1OC 1071890 KLZYYAUCHQIJQC-UHFFFAOYSA-N 355.441 2.603 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1466619 JAOFYOGMXDRJKZ-UHFFFAOYSA-N 365.389 2.660 0 50 FFAA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1OC 2357341 UFULELRRCLMTAE-ZANVPECISA-N 370.331 2.660 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cccn(C)c3=O)C2=O)cc1 2356149327 VBQXUVZFXUFCME-JOCHJYFZSA-N 365.477 2.855 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cnn(-c3ccc(C)cc3)c2)CC[C@@H]1O 2356158035 VRIWIGCMHOLTHW-AZUAARDMSA-N 357.454 2.618 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)Nc1c(C)nn(CC(=O)O)c1C 55182508 UMIUDOQEEUPPJP-UHFFFAOYSA-N 369.425 2.525 0 50 FFAA Cc1noc([C@@H]2CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)n1 246886736 UACJUQYDQZDUTO-PBHICJAKSA-N 358.417 2.892 0 50 FFAA Cc1nc(N2CCN(C[C@H]3CCCO3)CC2)nc2cc3c(cc12)CCC3 67605250 UCPQKYIKZANTGV-GOSISDBHSA-N 352.482 2.728 0 50 FFAA O=C1C[C@@H](c2ccc(Sc3ncn[nH]3)o2)c2cc3c(cc2N1)OCO3 65387796 RKFVSTWWOFOLLQ-SECBINFHSA-N 356.363 2.752 0 50 FFAA COc1ccccc1COC[C@@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 248779719 WQZIDBPGWUSMEC-UGKGYDQZSA-N 369.461 2.704 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C 22309345 XSWNVYKADPZASL-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CO)N(C(=O)OCc2ccccc2)C1 306948834 UMIGHSYDRZFWNL-CVEARBPZSA-N 364.442 2.673 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CC(C)=NO3)CC2)c1 67846910 ZSHLZYUZYAUMQJ-GOSISDBHSA-N 368.437 2.956 0 50 FFAA CN(C)CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100572 SQNBLHPMWXFDOX-UHFFFAOYSA-N 355.885 2.759 0 50 FFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Nc3cccc4c3OCCO4)C2)n1 172102583 PDGHNGLSYZYIER-OAHLLOKOSA-N 371.441 2.610 0 50 FFAA CC(C)c1noc([C@@H]2CCCN(C(=O)c3cnnn3-c3ccccc3)C2)n1 65393825 FIFUUGCEODNDDT-CQSZACIVSA-N 366.425 2.794 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)n2ncnc2N1 4987107 HDKFQDVRTCNQPJ-BLLLJJGKSA-N 374.828 2.943 0 50 FFAA Cc1ccc(-c2[nH]ncc2C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1 6413484 WLWYWOCFAFAIOA-MRXNPFEDSA-N 370.306 2.806 0 50 FFAA COc1ccccc1/C=C/CN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328656928 ZUWZSFUPPBGEGM-IEXSPKMKSA-N 368.437 2.821 0 50 FFAA O=S(=O)(NCCn1cnc2ccccc21)c1c[nH]c2cccc(F)c12 477514620 DXRXMEAUKSHWNJ-UHFFFAOYSA-N 358.398 2.635 0 50 FFAA CC(C)(C)C1CCC(CC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 153853468 SWKVJAKPHQUAJU-UHFFFAOYSA-N 357.476 2.795 0 50 FFAA COc1ccccc1CN1C[C@@H](c2nn3c(C(C)C)nnc3s2)CC1=O 71761122 OGTCISVKKGYZQO-ZDUSSCGKSA-N 371.466 2.834 0 50 FFAA CC(C)Nc1cc(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)ncn1 72411136 FEWFDXRQWBLRHI-GOSISDBHSA-N 373.476 2.509 0 50 FFAA COc1cc(CNc2nc(C3CC3)nc3c2CCNCC3)cc(OC)c1 72422866 BVCBLRLZOJQZQR-UHFFFAOYSA-N 354.454 2.672 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(OC)o2)CCC(=O)N1Cc1ccccc1 71498948 VDAUVHCODNVIKC-MRXNPFEDSA-N 356.422 2.942 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)cc1 333017329 ZMMTYGJTXOKIDC-NXHRZFHOSA-N 364.511 2.850 0 50 FFAA O=C(NC[C@H](O)c1ccccc1)C1(Oc2ccc(Cl)cc2)CCNCC1 77424876 VJAWJRHDOJPOGB-SFHVURJKSA-N 374.868 2.691 0 50 FFAA O=C([C@@H](O)C1CCCCC1)N1CCC(O)(c2c(F)cccc2F)CC1 375358094 WUZMRKUYZXKMJY-KRWDZBQOSA-N 353.409 2.716 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)O)C1CCOCC1 237612568 XTBWKVZOCPDTAZ-UHFFFAOYSA-N 352.456 2.815 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 72139321 ODJLHDOQKHRWSC-MRXNPFEDSA-N 369.465 2.853 0 50 FFAA CC(C)[C@@H]1CN(C(=O)Cn2cccn2)CCCN1Cc1ccc(F)cc1 71762544 BCFWGDUHQNIXAI-IBGZPJMESA-N 358.461 2.781 0 50 FFAA Cc1nc(C2CC2)oc1C(=O)N1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 285382525 LBRSCNDNRHFKCI-MFKMUULPSA-N 358.398 2.723 0 50 FFAA COc1ccc(Nc2cc(N3C[C@@H](C(=O)O)C[C@@H](C)C3)ncn2)c(OC)c1 263208505 NFUAEEAMZAWPJV-OLZOCXBDSA-N 372.425 2.784 0 50 FFAA C[C@@H]1CN(CCO)CCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 457138007 WBRUQQMFICADLQ-GFCCVEGCSA-N 365.886 2.602 0 50 FFAA CCNC(=O)C1CN(c2nnc(-c3ccc(OC)cc3)c3ccccc23)C1 132592705 HWMJCFMEPGYPBX-UHFFFAOYSA-N 362.433 2.878 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3s1)C2 221284123 UWVFSLPVCBIPPP-ZDUSSCGKSA-N 370.478 2.911 0 50 FFAA Cc1nn2c(nnc3c(=O)n(C[C@H]4CCCO4)ccc32)c1-c1ccccc1 40391085 YMNBYCYPOATBQQ-OAHLLOKOSA-N 361.405 2.594 0 50 FFAA O=C(CCN1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1)NC1CC1 426398064 OPFULBMDAOSVJF-OAQYLSRUSA-N 361.530 2.550 0 50 FFAA Cc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225423519 RSMKQKHLKIEMIS-SJORKVTESA-N 361.445 2.757 0 50 FFAA biogenic COC(=O)c1ccc(NC(=O)N2CC(N3CCCCC3)C2)cc1Cl 426477963 GONCASFRIHDUCK-UHFFFAOYSA-N 351.834 2.829 0 50 FFAA O=C(c1cccc(Cl)c1)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 97602379 OPXXFEIUFSAGER-LIRRHRJNSA-N 362.857 2.741 0 50 FFAA CC(C)n1ccnc1C1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1 91757235 FKBILXWKXYMTNK-UHFFFAOYSA-N 368.485 2.874 0 50 FFAA Cc1cc(=O)n(CC(=O)N[C@H]2COC3(CCCCC3)C2)c2ccccc12 426421830 KQQQSTHVEVPTRV-MRXNPFEDSA-N 354.450 2.918 0 50 FFAA O=C(c1ncccc1O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91435018 FETGCKXYGFBLEI-HXUWFJFHSA-N 357.454 2.575 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)NCc2cccc(F)c2)CC1 95509886 OBGGXPGQHZXGBW-UHFFFAOYSA-N 373.476 2.673 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc(CC(C)C)no2)n1 91782265 RXMUBGQVCHQNNL-AWEZNQCLSA-N 362.430 2.812 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(c2ncc(C(C)C)cn2)CC1 96138983 URZFCPGIXIVRFB-UHFFFAOYSA-N 357.506 2.657 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)nn1C 97522388 KRMZBJMVOLKZFB-UHFFFAOYSA-N 369.856 2.825 0 50 FFAA O=C(CCc1cn2ccccc2n1)N1CC[C@H](Cc2cccc(CO)c2)C1 91416616 GUWKMKKGJLFYHT-GOSISDBHSA-N 363.461 2.850 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)cs1 91574789 PHQNVTKOMPFOHL-LJQANCHMSA-N 362.495 2.743 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)NCCc1nc(-c2cccnc2)no1 91644882 RQJCTJXFFRKVKQ-UHFFFAOYSA-N 368.441 2.519 0 50 FFAA Fc1cccnc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 92022671 DBRMRNJSSWRBNC-UHFFFAOYSA-N 367.432 2.776 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c(C)n1C 91445231 ODUBANOEAXFNGT-NRFANRHFSA-N 357.498 2.897 0 50 FFAA O=C(Cc1nc2ccccc2[nH]1)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244595059 DNWQRSZZMDMZPB-IAMHBRQHSA-N 353.397 2.873 0 50 FFAA C[C@H]1CN(C2CCN(Cc3cc(-c4ccncc4)no3)CC2)C[C@@H](C)O1 244601968 DVFGGLIHQRYHPE-IYBDPMFKSA-N 356.470 2.810 0 50 FFAA CC(C)c1noc(CN(C)CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)n1 244882419 XRKHSTDDAWRRRX-UHFFFAOYSA-N 366.805 2.615 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2C[C@@H]4C=C[C@H]2C4)C3)cn1 244853023 VDULPZYZHBDUMV-VNHYZAJKSA-N 350.422 2.577 0 50 FFAA Cc1cnc(CN2CCc3nnc(Cc4ccccc4)n3CC2)c(C)c1O 253537386 TZIMMTZUJUPDQT-UHFFFAOYSA-N 363.465 2.645 0 50 FFAA CCOC(=O)N1CC[C@@H](NCc2nc(-c3ccccc3Cl)no2)C1 534646539 SOWVKRKAHXDEHC-LLVKDONJSA-N 350.806 2.710 0 50 FFAA O=C(NC[C@H]1COc2ccccc2C1)C1(c2ccccc2)CCNCC1 299792272 FQKOUMBVNNDUAS-KRWDZBQOSA-N 350.462 2.675 0 50 FFAA Cc1csc(S(=O)(=O)N[C@H](C)c2nc(-c3ccccn3)no2)c1 670447834 FDGUIZGGCWKJCV-SNVBAGLBSA-N 350.425 2.541 0 50 FFAA O=C(c1c[nH]nc1[C@H]1CCCO1)N1CCN(c2ccc(F)cc2F)CC1 870131073 GSGJKLAXYVSSBA-MRXNPFEDSA-N 362.380 2.502 0 50 FFAA Cn1cc(C(=O)N2CC[C@H](N)C3(CCC3)C2)c(-c2ccc(F)cc2F)n1 1875292303 DAHKJTWLIOKTHV-INIZCTEOSA-N 360.408 2.709 0 50 FFAA CC1(C)SCCN2C(=O)N([C@@H]3CC[C@H]4SCCS[C@@H]43)C(=O)[C@H]21 1875356531 PPASPOOLDMULLY-KKOKHZNYSA-N 358.554 2.524 0 50 FFAA O=C(Nc1ccc2ccc3cc[nH]c3c2n1)N[C@H](CO)C[C@@H]1CCOC1 1875307474 ZTTHSBWYJFCYNK-WFASDCNBSA-N 354.410 2.625 0 50 FFAA COc1c(F)ccc(CNC[C@@H](c2ccccn2)N2CCOCC2)c1F 952977713 JKEMNEGTJSAEAZ-KRWDZBQOSA-N 363.408 2.532 0 50 FFAA COC[C@@H](C)N(Cc1ccc(SC)cc1)C(=O)Cn1nc(C)cc1N 952978325 YLAIHSPSPDAAHZ-CQSZACIVSA-N 362.499 2.559 0 50 FFAA Cc1ccc(NC(=O)c2cc(CC(C)C)[nH]n2)cc1NC(=O)CN(C)C 952983833 RUUAXZDRTFBLLA-UHFFFAOYSA-N 357.458 2.669 0 50 FFAA COc1ccc(-c2noc(N[C@H]3CCO[C@@H]3c3cnn(C)c3C)n2)cc1 888077784 UXSGRGRDWCGIQI-JKSUJKDBSA-N 355.398 2.729 0 50 FFAA Cn1ncc(C2CC2)c1CNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccn1 888102032 VIHHHZXGGZOZBS-CRAIPNDOSA-N 353.470 2.903 0 50 FFAA COc1cccc2c1CCC[C@H](NC(=O)NC[C@@H](O)c1ccccc1)C2 1479562870 NTUHKRSQMJODEH-PKOBYXMFSA-N 354.450 2.975 0 50 FFAA CCn1c(=O)n(CC(=O)N2CCC[C@H]2c2cccc(C)n2)c2ccccc21 167429156 SVXYOMRTTYRGHX-KRWDZBQOSA-N 364.449 2.890 0 50 FFAA COCC1=CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 170598999 UKNBADCYHZUAOJ-WMZOPIPTSA-N 362.857 2.665 0 50 FFAA CC1(C)Cc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)c(O)c2O1 170621232 FZDQWUGSGHOWCQ-UHFFFAOYSA-N 368.433 2.774 0 50 FFAA C[C@H]1CCS(=O)(=O)CCN1Cc1cccc(C(=O)Nc2ccccc2)c1 192094706 CMECEHJOCSCUNG-INIZCTEOSA-N 372.490 2.948 0 50 FFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)CCc2ccnn2C)cc1 1506402605 IVFWSZZVQLPBRA-UHFFFAOYSA-N 353.426 2.709 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCC(O)(c3ccccc3)CC2)CC1 1506419813 XRUMULJLMLUYMD-UHFFFAOYSA-N 365.477 2.670 0 50 FFAA O=C(C1CCCCCC1)N1CCCN(C(=O)[C@H]2CC[C@H](O)CC2)CC1 1529179068 URGGYSDRNOYDSB-IYARVYRRSA-N 350.503 2.569 0 50 FFAA Cn1cncc1CN1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 1775978330 MPGJJEXLZKYEFK-UHFFFAOYSA-N 350.825 2.561 0 50 FFAA Cc1ncc(CN2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)n1C 12316755 AOBHDJBPRBEZAA-IBGZPJMESA-N 364.453 2.517 0 50 FFAA Cc1ccsc1C(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 12448638 MPXCCBATONPYCB-ZDUSSCGKSA-N 350.465 2.735 0 50 FFAA CC(C)CN1C[C@H](OCc2ccccc2F)CN(C(=O)C(C)C)CC1=O 14742326 JHOQNHXDDQHBPK-KRWDZBQOSA-N 364.461 2.694 0 50 FFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)CC(C)C)C2 14748289 GGXPHGYTAQTSJI-HNNXBMFYSA-N 364.559 2.537 0 50 FFAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)C(C)C 14995960 XDEJTCKYNYOTHF-UHFFFAOYSA-N 359.470 2.940 0 50 FFAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 155851643 VZBXJUORZCFPDM-HNNXBMFYSA-N 369.465 2.975 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc(-c2ccccc2)nn1C 1857677719 BALKDAXQHUALRC-JNAXZKDPSA-N 353.422 2.945 0 50 FFAA O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857689885 NUHIVMMIADZGSZ-FQEVSTJZSA-N 372.371 2.854 0 50 FFAA COc1cc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc(Cl)c1OC 1857690120 AVBLKCCHJIWWIU-ZDUSSCGKSA-N 369.845 2.670 0 50 FFAA CO[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1cccc(C(F)(F)F)c1 1857721319 JUQUQJHAXISMCT-CHWSQXEVSA-N 360.357 2.553 0 50 FFAA COc1cccc2c1OC[C@H](Cn1ccnc1-c1cccn(C)c1=O)C2 1857733745 WXJSBUCANPQBBL-AWEZNQCLSA-N 351.406 2.509 0 50 FFAA CNC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br 237102372 MLZPUVXPUUKTGZ-PWSUYJOCSA-N 359.239 2.566 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1c1cccc(F)c1 216977671 BVZRKWYBEDDGQN-CVEARBPZSA-N 365.364 2.709 0 50 FFAA Cc1csc(C2(NS(=O)(=O)c3cccc4c3OCCO4)CCC2)n1 267044702 NBKJTRADUZNIET-UHFFFAOYSA-N 366.464 2.580 0 50 FFAA CN(C(=O)c1ccc(Cl)nn1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 839336466 ZOYMFHNCGWRQMG-LBPRGKRZSA-N 368.865 2.992 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)[C@H](O)c3ccc(Cl)cc3)C[C@H]2C1 2100554927 IDHJQRCJDDNYGL-QKGUJMCYSA-N 350.890 2.951 0 50 FFAA COc1cnc(-c2nc(Cc3ccon3)n(Cc3ccccc3F)n2)cn1 2325841173 HGIJEHCTFRVJCG-UHFFFAOYSA-N 366.356 2.510 0 50 FFAA Cc1cc(C(F)(F)F)cnc1N[C@@H]1CCN(c2ccc3nncn3n2)C1 865968834 XICCKJMQRAZWNN-GFCCVEGCSA-N 363.347 2.537 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 678195 CIZKWLGPARBSIL-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA Cc1ccccc1CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 869388 YYFNJHFOTDRUBA-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA O=C1C(Cl)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccccc1 945419 SAGRJXLHKWIHNP-UHFFFAOYSA-N 367.836 2.832 0 50 FFAA CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 1060977 CSYLDQZLTFDEBV-LBPRGKRZSA-N 356.216 2.625 0 50 FFAA COc1ccc(-c2onc(N3CC[C@H](c4cc[nH]n4)C3)c2C(=O)O)cc1 2356143887 BLCUVSHPABITDT-LBPRGKRZSA-N 354.366 2.765 0 50 FFAA CCC(=O)N[C@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl 2706961 XGTQVHHDIFJERF-SNVBAGLBSA-N 370.689 2.901 0 50 FFAA C[C@H](NC(=O)CSc1nnnn1-c1ccc(F)cc1)c1ccccc1 2849328 NQPSYLVJIUZQIU-LBPRGKRZSA-N 357.414 2.771 0 50 FFAA O=C(CC[C@H]1COc2ccccc2O1)NC[C@@H]1COc2ccccc2O1 2867299 PNFVIPPDXIFZQI-LSDHHAIUSA-N 355.390 2.563 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 3105634 BYDNOHRNWGSTFD-AWEZNQCLSA-N 362.451 2.797 0 50 FFAA CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccncc1 6176628 XLPIWAASQFMPGM-UHFFFAOYSA-N 360.468 2.856 0 50 FFAA Cc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 7450807 VEDGQHWCNNOAFI-SFHVURJKSA-N 363.461 2.697 0 50 FFAA CN1CCN(c2ccc(CNC(=O)c3coc4ccccc34)cn2)CC1 113144586 OLWZRDKBSNQOLO-UHFFFAOYSA-N 350.422 2.510 0 50 FFAA Cc1c(-c2ccnc(N3CCCC3)n2)cnc2nc(-c3cccnc3)nn12 54202076 CYWHSRRIIVVLJY-UHFFFAOYSA-N 358.409 2.552 0 50 FFAA O=C(Nc1ccncc1)C1CCC(Cn2nnc3ccccc3c2=O)CC1 9423309 SBLXJJYYIKNXNF-UHFFFAOYSA-N 363.421 2.632 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc2ncccc12 247828676 KIBFUNHOPADHJD-KYNGSXCRSA-N 367.449 2.979 0 50 FFAA Cc1nnnn1-c1ccc(NC[C@]2(c3cccc(F)c3)CCOC2)cc1 20864974 NDDNBALJGQAOHH-LJQANCHMSA-N 353.401 2.880 0 50 FFAA Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)c(=O)n1C 67605029 SOXDVDDULHZJSM-UHFFFAOYSA-N 367.380 2.950 0 50 FFAA CC[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2ON1c1ccccc1 170593107 AJCJNWXPVDJBKE-KZNAEPCWSA-N 352.390 2.784 0 50 FFAA CN(Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328627809 GNRBPPHJYAMOQI-MAUKXSAKSA-N 358.534 2.956 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1cc2c([nH]c1=O)CCCC2 65405279 CCVKHACVDVELJE-UHFFFAOYSA-N 363.417 2.611 0 50 FFAA C[C@@H](C(=O)N1CCOCC1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2774874 BAXUBJJBQJFISJ-QMMMGPOBSA-N 351.756 2.853 0 50 FFAA Cc1nc(CCn2ccnc2-c2cc3c(cc2Cl)OCO3)cc(=O)[nH]1 77353996 NTSQETVEKRYXLB-UHFFFAOYSA-N 358.785 2.567 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCC[C@@H](C(=O)CCc2ccccc2)C1 72174235 SFQPDEYZOMDIQS-GOSISDBHSA-N 368.481 2.581 0 50 FFAA CNC(=O)[C@@H]1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)C1 71422416 APBHWYLXDBZJQM-OAHLLOKOSA-N 357.454 2.843 0 50 FFAA CC(C)c1nc(C(=O)N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)cs1 72463103 XVRKUICBZYBGPY-OKILXGFUSA-N 351.516 2.980 0 50 FFAA Nc1c(O)nc(O)nc1C(=O)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 365140942 XTIFGFGWHZDKFF-UONOGXRCSA-N 368.437 2.585 0 50 FFAA NC(=O)c1cc(N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccn1 484439496 AWOIYWZGQRQKMO-ABAIWWIYSA-N 351.328 2.512 0 50 FFAA CCN1CC2(CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)OC1=O 77408164 MFKDDJQQYPIVKK-ZDUSSCGKSA-N 366.845 2.941 0 50 FFAA O[C@H](CN1CCc2c(nnn2-c2ccccc2)C1)c1cc(F)ccc1F 366615342 FVFVFFSHZOTXFU-LJQANCHMSA-N 356.376 2.637 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c[nH]c2c(F)cccc2c1=O 71440362 YEYGYGPMWLODKO-UHFFFAOYSA-N 356.401 2.960 0 50 FFAA Nc1nc(CCC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 71746664 KWGUVERYTQIPRI-CQSZACIVSA-N 351.859 2.911 0 50 FFAA c1ccc2c(c1)oc1c(CN3CCN(CCn4cncn4)CC3)cccc12 77517819 LOJIYVSDMMOXAV-UHFFFAOYSA-N 361.449 2.995 0 50 FFAA CN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@@H]1c1ccc(F)c(F)c1 127512390 QQHJUMOVPNACFK-SNRMKQJTSA-N 374.387 2.666 0 50 FFAA CCCc1cc(-c2nc(CC(=O)N[C@@H](C(=O)O)C(C)C)cs2)ccn1 218140977 UVHMFJKPOXBUSL-MRXNPFEDSA-N 361.467 2.926 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4ccccn4)C3)CCC2=O)cn1 77301362 GPDVHYZYTXBDPS-FQEVSTJZSA-N 351.454 2.589 0 50 FFAA Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC[C@H]2CNCCCO2)CC1 333776300 CZLJZSROCAXJCX-QGZVFWFLSA-N 370.497 2.744 0 50 FFAA CN1C(=O)[C@](CC(=O)NCc2ncc[nH]2)(Cc2ccccc2)c2ccccc21 71745623 MKCNIWKOGGOZAA-QFIPXVFZSA-N 374.444 2.573 0 50 FFAA Cc1nc2ccccn2c1CN(C)Cc1cnc(N2CCOCC2)s1 215990276 OXNPQYZUXIJSEW-UHFFFAOYSA-N 357.483 2.568 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2cc3sccc3[nH]2)N2CCOCC2)o1 188492713 DETVEQFMPYJQGP-HNNXBMFYSA-N 359.451 2.934 0 50 FFAA O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCCc1ccc(C(=O)O)cc1 238081283 AAGBLUNQXAQUEN-QGZVFWFLSA-N 366.417 2.635 0 50 FFAA Cn1cccc1[C@H]1CCCCN1C(=O)CCn1cnc2sccc2c1=O 173561859 CSQSNRJFLSAIGU-MRXNPFEDSA-N 370.478 2.940 0 50 FFAA CCCc1ccc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1 71749783 ARPRSCUXDACHOZ-UHFFFAOYSA-N 374.444 2.983 0 50 FFAA COc1ccc(N[C@@H](C)c2nc(-c3ccccc3)no2)cc1OCC(N)=O 130230534 PPJPTTWNJWPYBG-LBPRGKRZSA-N 368.393 2.782 0 50 FFAA C[C@H](C(=O)Nc1nccs1)N1CCN(c2ccnc3ccccc23)CC1 241776762 RSFYNLPIKQMXPB-CQSZACIVSA-N 367.478 2.841 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 220218534 OSLKHJPLASJSHR-BZZMCLGOSA-N 368.399 2.616 0 50 FFAA O=C(c1ccc(Cl)cc1F)N1CCC(CO)(CN2CCCC2)CC1 220104739 PWLWRSHYRSLZFL-UHFFFAOYSA-N 354.853 2.790 0 50 FFAA Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc(C2CC2)n1 159910487 LUPZDPIGZHVCPN-AWEZNQCLSA-N 356.451 2.967 0 50 FFAA O=C(c1c(Cl)cccc1C(F)(F)F)N1CCC(c2nn[nH]n2)CC1 913747468 YVOMMQAUPQOTRB-UHFFFAOYSA-N 359.739 2.892 0 50 FFAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2cc(-c3cccnc3)no2)n1 426668500 WHWODPMHEWCICQ-OAHLLOKOSA-N 351.410 2.975 0 50 FFAA Cc1ccn2c(C(=O)NCC[C@@H](c3ccccc3)c3ccco3)nnc2n1 426740643 WFHVRYMQZICXMW-INIZCTEOSA-N 361.405 2.978 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)COc1ccccc1F 238142947 ACSYKFBPFWRZPX-UHFFFAOYSA-N 367.323 2.986 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)C(=O)NC 426487594 UWAZZEJMLCMBFS-GOSISDBHSA-N 356.397 2.950 0 50 FFAA O=C1NCCN(C(=O)c2cnoc2-c2ccccc2)[C@H]1Cc1ccccc1 97546468 WZLCWZHZHNWULA-SFHVURJKSA-N 361.401 2.525 0 50 FFAA O=C(NCc1cc(-c2ccccn2)no1)[C@@H]1CCCN(Cc2ccco2)C1 95355441 DNUMIPOUWWHOSZ-OAHLLOKOSA-N 366.421 2.858 0 50 FFAA CN(CCC1(O)CCCC1)C(=O)c1cccc(-c2ccc(C(N)=O)o2)c1 426563084 BKMSMPORKCSONJ-UHFFFAOYSA-N 356.422 2.813 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc(-c2ccc(O)cc2)[nH]n1 91694285 MHOVTNLHPPZIRE-QGZVFWFLSA-N 353.426 2.824 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1C(=O)O 92099056 QIZGENRNXKBMNI-DLBZAZTESA-N 373.380 2.540 0 50 FFAA CCN1CCC(CC(=O)N2CCn3cccc3[C@H]2c2cccnc2)CC1 95500620 BUKPYFBHMBZNGH-OAQYLSRUSA-N 352.482 2.937 0 50 FFAA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)ccc1Br 239174465 QBKHHYZNQWXSRI-MWKMHJQYSA-N 350.212 2.894 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1cnc(-c2cccnc2)nc1 95362624 RDGRQPVAUXKUIE-UHFFFAOYSA-N 370.416 2.713 0 50 FFAA Cn1cc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)c2ccccc21 91645239 PNZGNBNZOGYVRR-FUHWJXTLSA-N 365.477 2.580 0 50 FFAA COc1ccc(C(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cc1OC 91943430 QDEGYBDCKAUJJO-MRXNPFEDSA-N 355.434 2.901 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(Oc3ccc(F)cc3)CC2)cn1 95380864 COZPIURDLWXQSX-GOSISDBHSA-N 360.385 2.898 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 91636399 IPXZLXXHFIBFJQ-GOSISDBHSA-N 368.481 2.793 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 239309200 HHBKTMOFNIDVNJ-HXXCKNJQSA-N 364.445 2.685 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCc1csc(-c2ncccn2)n1 95503429 IUMOMHHYLZCQMF-GFCCVEGCSA-N 356.455 2.797 0 50 FFAA Cc1ccc2nc(C(=O)NC3CCN(C4CCSCC4)CC3)cn2c1 92002258 ZPTYDUVWBZXIIK-UHFFFAOYSA-N 358.511 2.733 0 50 FFAA COc1ccc([C@@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]2C[C@@H](O)C2)cn1 240825156 QNLJNPCOUCXIMG-ZRGWGRIASA-N 370.424 2.889 0 50 FFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)Cc1nc(O)c2cnn(C)c2n1 253537380 SYRIDYLFFCOATM-GFCCVEGCSA-N 363.425 2.652 0 50 FFAA CC[C@H]1C[C@H](C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CCO1 183509416 PJEKMUODZUDJSA-AEFFLSMTSA-N 362.445 2.705 0 50 FFAA COc1ccccc1S(=O)(=O)CCCn1ccc2sccc2c1=O 184843731 UMBYWQGZBULOIC-UHFFFAOYSA-N 363.460 2.936 0 50 FFAA CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@H](C(=O)O)C3)c12 299745202 WONGVGOGWOLZHI-NSHDSACASA-N 369.377 2.982 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 252535794 GWWUJQSNDZNFKP-JKIFEVAISA-N 363.483 2.532 0 50 FFAA COC(=O)c1cn(Cc2csc(-c3ccccc3)n2)cc2c(=O)[nH]nc1-2 263587929 MXXDUZXDYDDWED-UHFFFAOYSA-N 366.402 2.635 0 50 FFAA Cc1cccnc1N1CCN(C(=O)NCc2nc3c(C)cccc3o2)CC1 534669342 BHFCMBYXQRFFKC-UHFFFAOYSA-N 365.437 2.871 0 50 FFAA CN1C(=O)COc2cc(NC(=O)NCc3nc4c(s3)CCCC4)ccc21 534586235 UNNJLKCYRSXPSE-UHFFFAOYSA-N 372.450 2.699 0 50 FFAA CCNc1ccc(-c2ccc(C(=O)NCCCc3cnn(C)c3)cc2)nn1 534630513 UYYZRYQIQXBNNX-UHFFFAOYSA-N 364.453 2.672 0 50 FFAA O=C(NCc1cccc(F)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263618639 UUGARPMXURPPQD-KRWDZBQOSA-N 370.359 2.758 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)Nc1cccc(-c2ccn[nH]2)c1)C1CC1 299797660 OLNXBJVWOSZPQN-INIZCTEOSA-N 351.414 2.961 0 50 FFAA COc1ccc(CCNc2ncc(C)c(-c3cnn(C)c3)n2)cc1OC 63847486 WWXHBTVIWWSLKD-UHFFFAOYSA-N 353.426 2.857 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@H]3CCc4ccccc43)cnn2c1 67983402 LCUXYRGNLFKTLE-IBGZPJMESA-N 363.465 2.988 0 50 FFAA COc1ccc(NC(=O)N2CCCC[C@@H]2CCn2cccn2)c(OC)n1 299794092 IPBWOEHABSSOFV-CQSZACIVSA-N 359.430 2.772 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NC3CCOCC3)CCCCC2)cc1 299803030 UUWGHSJCWAGWFV-UHFFFAOYSA-N 365.495 2.587 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)[C@]1(c3cccs3)CC1(C)C)C2 299779086 UBLBFSYSYRKLEE-LJQANCHMSA-N 359.495 2.709 0 50 FFAA CCOC(=O)c1sc(-c2cccc(C(=O)N3CCC[C@H](O)C3)c2)nc1C 584902879 CGMKMERYMDNLBO-HNNXBMFYSA-N 374.462 2.892 0 50 FFAA Cc1sc2ncn(C[C@@]3(O)CCCNC3)c(=O)c2c1-c1ccc(F)cc1 670461941 GMEZQIRWUKBCLC-LJQANCHMSA-N 373.453 2.687 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC3=NO[C@@H](C)C3)c12 1875311987 FNESMTFBYFTCFQ-LBPRGKRZSA-N 363.421 2.838 0 50 FFAA CS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CN3CCCC3)c2)cc1 952869662 MUECSVITVVPJDJ-UHFFFAOYSA-N 372.490 2.867 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCNc2nc(-c3ccccc3)no2)cc1 952986163 FLPLWCXGJURJKI-UHFFFAOYSA-N 372.450 2.826 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 952864669 KXOWQXAWWMIFLJ-MRXNPFEDSA-N 351.410 2.799 0 50 FFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 277936558 USPJQOVSOQDPEZ-GXTWGEPZSA-N 374.890 2.734 0 50 FFAA Cc1cc(NC(=O)CN(C)c2ncnc3sc4c(c23)CCCC4)no1 170619770 HWHGJVLUFDKWMW-UHFFFAOYSA-N 357.439 2.941 0 50 FFAA COc1cnccc1[C@@H](C)NC(=O)NCc1ccc(-n2ccnc2)c(F)c1 189738347 AEJJLZSQHKQRAC-CYBMUJFWSA-N 369.400 2.975 0 50 FFAA Cc1cc(=O)cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)o1 1506430942 ZYIUIYHYZGRCQG-GOSISDBHSA-N 357.406 2.648 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)cc1Cl 1506420608 MUXNQSVMAUQCBC-MYJAWHEDSA-N 366.266 2.678 0 50 FFAA CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(OC)cc1OC 11663322 HNSLOFAGJYCALB-UHFFFAOYSA-N 355.442 2.942 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CCOC)C1 12002177 JWDVUWMGVMLTRO-IBGZPJMESA-N 351.418 2.577 0 50 FFAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCCCCC1 12314255 BEAFVGKXMSBEOH-UHFFFAOYSA-N 357.410 2.724 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3c(F)cccc3Cl)C2)C1=O 14981074 DMIXSQYZBIOOAS-GOSISDBHSA-N 368.836 2.580 0 50 FFAA c1ccc(CN2CCN(C3CCN(Cc4cccnc4)CC3)CC2)cc1 19362091 DMSITTGOFICNAT-UHFFFAOYSA-N 350.510 2.864 0 50 FFAA Fc1cccc([C@]2(CN3CCC(CN4CCOCC4)CC3)CCOC2)c1 19841406 AWPNHBYZTMWJTN-NRFANRHFSA-N 362.489 2.528 0 50 FFAA CCOC(=O)CCN1CCc2c([nH]c3ccccc23)[C@@H]1CC(=O)OCC 19864711 YMNHVMJTPSRVGW-KRWDZBQOSA-N 358.438 2.974 0 50 FFAA CC(C)(C)c1ccc2oc(N3CCC(NS(C)(=O)=O)CC3)nc2c1 1857666638 ACMAELJBYRDRBI-UHFFFAOYSA-N 351.472 2.643 0 50 FFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3-c3cccc(C(N)=O)c3)cc2c1 1857682163 FQBCGYCPBKOJGX-UHFFFAOYSA-N 374.400 2.878 0 50 FFAA COc1ccc(NC(=O)N[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)cc1Cl 1857724352 WRMJQCMXUDZJPL-ZQIUZPCESA-N 365.861 2.722 0 50 FFAA Cc1oc(-c2cccs2)nc1CN1CCC2(CC1)CNC(=O)CCO2 1857730732 ZRVQJMNELKLRAT-UHFFFAOYSA-N 361.467 2.583 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c1Cl 333886906 WCYXRXXHMUURBU-UHFFFAOYSA-N 363.266 2.502 0 50 FFAA O[C@H](COc1ccc(CNCC2CC2)cc1)CN1CCc2ccccc2C1 12759018 MTCDMOBLFKRZMS-QFIPXVFZSA-N 366.505 2.984 0 50 FFAA O=C(O)C1CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 262722504 WKRQDOSBCADGER-UHFFFAOYSA-N 374.418 2.518 0 50 FFAA C=CC(=O)NCCC(=O)NCc1ccnc(Oc2cccc(C)c2C)c1 163907563 UOGDJAJOMMMQBP-UHFFFAOYSA-N 353.422 2.799 0 50 FFAA O=S1(=O)CCN(Cc2cc(-c3ccccc3C(F)(F)F)no2)CC1 901398187 LSNCEDPPHYGKIF-UHFFFAOYSA-N 360.357 2.591 0 50 FFAA CC(C)(C)c1nc(Cn2nc(Br)c(Br)n2)no1 842086832 GLKNUBXVYAMGIB-UHFFFAOYSA-N 365.029 2.532 0 50 FFAA COc1ncc(S(=O)(=O)Nc2c(C)nn(C(C)C)c2C)cc1Cl 2325754768 VVFHTXDXJLLCRX-UHFFFAOYSA-N 358.851 2.939 0 50 FFAA COc1cccc(OCC(=O)Nc2ccc(NC(=O)C3CCC3)cn2)c1 2325781507 XXFGOUDKDPQQQE-UHFFFAOYSA-N 355.394 2.846 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC34CC(C)(C)C4)C2)n[nH]1 2325842788 IMIBZUBKJYDDOY-UONOGXRCSA-N 358.486 2.690 0 50 FFAA C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1147637 JBIPNUADGZHEOW-LLVKDONJSA-N 371.776 2.751 0 50 FFAA CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N 2427123 IJAQEFPTCOPSMD-UHFFFAOYSA-N 362.393 2.649 0 50 FFAA COc1ccc(Cc2nnc(NC(=O)Cc3cc(C)no3)s2)cc1OC 2356165544 DHDAYEGGGCQYHI-UHFFFAOYSA-N 374.422 2.624 0 50 FFAA N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O 3826602 VLZBRVJVCCNPRJ-KPHUOKFYSA-N 353.374 2.817 0 50 FFAA in-vivo CCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 4995570 BWKMVZMHLSMXOW-UHFFFAOYSA-N 366.870 2.980 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC(C)CC1 6743333 UPRZCMKDFOVAHK-UHFFFAOYSA-N 350.484 2.652 0 50 FFAA Cc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc2nnc(C)n2n1 21726224 NGCQOSAMNPTHEU-OAHLLOKOSA-N 373.420 2.709 0 50 FFAA CC(C)[C@H]1CCCCN1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 117348386 PUEONXJGRDCDPQ-HXUWFJFHSA-N 371.525 2.918 0 50 FFAA Clc1cccc(N2CCN([C@@H]3CCCN(Cc4cc[nH]n4)C3)CC2)c1 20271959 WBLXJWXXEZMMGA-LJQANCHMSA-N 359.905 2.850 0 50 FFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1nnc(N)s1 65386204 YKPDWNKJISKMTA-UHFFFAOYSA-N 366.454 2.505 0 50 FFAA Cc1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)n1 61718837 ZIULWLQPZRLJFZ-UHFFFAOYSA-N 354.797 2.906 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)c1 20149595 YBNLDHODZAVAMD-UHFFFAOYSA-N 350.422 2.614 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)c1ccc(CSc2ncn[nH]2)o1 65398337 GUBHULBIVUFDJF-UHFFFAOYSA-N 370.434 2.945 0 50 FFAA O[C@H]1CN(Cc2cccc3c2sc2ccccc23)C[C@@H]1N1CCOCC1 23373215 JXBDHPKCXJTXQF-OALUTQOASA-N 368.502 2.932 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)CCN2CCCCO2)CC1 63882819 IPCNKKYHRUDHKS-UHFFFAOYSA-N 359.514 2.569 0 50 FFAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2cc(Br)cn2C)on1 151534834 RWROEQAOFMKFAP-JTQLQIEISA-N 355.236 2.543 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCO[C@H](c2ccc(F)cc2)C1 64336114 ICYVMMWTRHOTOS-FQEVSTJZSA-N 370.424 2.876 0 50 FFAA O=C(c1ccccc1Cn1cncn1)N1CCO[C@@H](c2ccccc2F)C1 173018321 NTTHQPMKXBMNJF-LJQANCHMSA-N 366.396 2.679 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2cccs2)C1 77406294 NTZARJQMLRRSFC-LBPRGKRZSA-N 369.450 2.607 0 50 FFAA Oc1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 6402484 RIUYKVJJTXRENU-UHFFFAOYSA-N 357.435 2.640 0 50 FFAA COC(=O)[C@H]1CCCN1C(=O)CCCOc1cccc(Br)c1 328591499 MNQNDRWGRHJCCW-CQSZACIVSA-N 370.243 2.772 0 50 FFAA COCCC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 77321673 WSBSHJCPCRKJDC-INIZCTEOSA-N 360.454 2.640 0 50 FFAA O=C(Nc1cccc(OCCF)c1)C1CCN(C(=O)c2ccccn2)CC1 153989363 PVTKBNDEJJYXQT-UHFFFAOYSA-N 371.412 2.921 0 50 FFAA CCOc1ccccc1C(=O)N1C[C@@H](NC(C)=O)CC[C@H]1C(F)(F)F 330582379 SEZYVYQELMFDAF-WFASDCNBSA-N 358.360 2.757 0 50 FFAA CON(CC1CCOCC1)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O 366963062 ONICWIRKOJPONP-WOJBJXKFSA-N 358.482 2.955 0 50 FFAA CS(=O)(=O)Nc1ccc(-n2ccnc2-c2ccc3c(c2)OCCO3)cc1 77392672 KAYGVEDQSIYITH-UHFFFAOYSA-N 371.418 2.682 0 50 FFAA COc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)nn1 332331212 PIMSWQNPMZTXPH-LLVKDONJSA-N 355.364 2.617 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2snnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72154956 MXLBIKAXWGCIGI-NSISKUIASA-N 370.522 2.917 0 50 FFAA CCC[C@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72162774 ZUOYQSHEGPTJIK-AWEZNQCLSA-N 353.470 2.926 0 50 FFAA O=C(CCN1CCCCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219272345 HPNDPVLKHGGZOS-OBFZPWGMSA-N 372.509 2.816 0 50 FFAA CCN(C)C(=O)c1ccc(N2CCC[C@H](OCc3ccccn3)C2)nc1 77386689 HJWWOQUMBOXHCO-SFHVURJKSA-N 354.454 2.754 0 50 FFAA CCOc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 32593771 GKXAOKGVMMUCLV-HXUWFJFHSA-N 354.450 2.889 0 50 FFAA CC(C)c1nc(C2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)no1 241707055 QMGNAMNYLAPECI-UHFFFAOYSA-N 366.462 2.766 0 50 FFAA COc1cccc2c1OCCCN(Cc1ccc(S(C)(=O)=O)cc1)C2 216293597 BEDJEIXTROFKAL-UHFFFAOYSA-N 361.463 2.883 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCCc3nc4c(s3)CCC4)n2)c1 77452255 BHTMGDSSZYHKRK-UHFFFAOYSA-N 367.434 2.837 0 50 FFAA CCN(CC)C(=O)c1ccc(NC(=O)c2cn3nccc3nc2C)cc1 448620615 FUPTXKRRNKTEAX-UHFFFAOYSA-N 351.410 2.772 0 50 FFAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](CCC(=O)O)C1 263098275 ILXGTQCKTUQOMD-QWHCGFSZSA-N 366.845 2.562 0 50 FFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CC1)OCCC[C@H]2O 216403520 DCPCQZGTQDGLPB-GOSISDBHSA-N 354.450 2.998 0 50 FFAA Cc1ccccc1OC1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 72423789 UDALMQBRZOWTES-UHFFFAOYSA-N 368.481 2.665 0 50 FFAA Cc1nc(CN2CCn3nc(CCC(=O)NC4CCCC4)cc3C2)cs1 82098140 XIXHXXUQQOJACJ-UHFFFAOYSA-N 373.526 2.655 0 50 FFAA Cn1ncc2cc(-c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3)ccc21 426409284 IHVJYVXSEAZJRK-UHFFFAOYSA-N 362.433 2.578 0 50 FFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F 288877733 OKWKGCMZWBSCTN-RNCFNFMXSA-N 354.332 2.760 0 50 FFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCn2ccccc2=O)C1 82137281 RJYHCDGVROPIRX-LJQANCHMSA-N 366.461 2.679 0 50 FFAA Cc1ccc(N2CCN(C(=O)NCCn3nc(C)cc3C)[C@H](C)C2)cc1 426573124 MDBKCKLMRYGZPD-GOSISDBHSA-N 355.486 2.729 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c2)nc(N)n1 426529498 WWLTUSIZXYJYMY-HNNXBMFYSA-N 365.481 2.733 0 50 FFAA O=C(NCCc1cnn[nH]1)c1cc(-c2ccccc2)nn1-c1ccccc1 426486031 UWOYWQMPYLJZBD-UHFFFAOYSA-N 358.405 2.630 0 50 FFAA CCn1c(=O)oc2cc(NC(=O)NCCCc3c(C)n[nH]c3C)ccc21 426478720 JRTDKBYDWAPUFH-UHFFFAOYSA-N 357.414 2.709 0 50 FFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)c1 95530108 CXTUPGXHWQBSEZ-INIZCTEOSA-N 369.465 2.972 0 50 FFAA Cc1nn(CCO)cc1CN1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 91951293 DLQLJAMRQLSLKC-OAQYLSRUSA-N 371.481 2.757 0 50 FFAA Cc1c[nH]c(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 91462547 VHFNICFDQUORJS-UHFFFAOYSA-N 353.470 2.518 0 50 FFAA O=c1[nH]cc(-c2nc(C3CCOCC3)nn2-c2cccnc2)cc1Cl 96149105 NOBMQMBJZVNHRF-UHFFFAOYSA-N 357.801 2.565 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(Cc2cccs2)CC1 95371651 HGNSDDBDXZJQAW-KRWDZBQOSA-N 373.522 2.898 0 50 FFAA CN(C)c1cccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 91779731 CKKBRJUFNQEIBJ-OAQYLSRUSA-N 355.482 2.617 0 50 FFAA CC(C)N1CCC(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)CC1 95523483 HBUCFGGSWHQXMG-FQEVSTJZSA-N 356.510 2.584 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)NCc2cccc(F)c2)C1 91974206 ZZXLODOOIVORAI-MRXNPFEDSA-N 360.433 2.758 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2cc3c(C)cc(=O)oc3cc2C)n1 95528817 LDYZJHRZJVBYHN-UHFFFAOYSA-N 369.425 2.830 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 97631973 SMSFGIUDFMKNQV-LBPRGKRZSA-N 369.874 2.647 0 50 FFAA CN(C)C(=O)c1cc2c(s1)CCN(C[C@H]1COc3ccccc3O1)C2 244874614 XEKKYCPJGOIJDY-AWEZNQCLSA-N 358.463 2.648 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2SCCc3ccccc32)c1 299750385 NHZZMWWDBCKXHH-SFHVURJKSA-N 357.431 2.797 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3ncn(C)n3)cc2)c1 183157868 SZCZNSZUQBEQDE-UHFFFAOYSA-N 363.421 2.793 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2cccc3ccnn23)cc1 534656123 TZHCLAXHDIWTNF-CQSZACIVSA-N 350.422 2.598 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nc(=N)cc[nH]2)cc1 534676881 JJNGNMCMDCMHIN-UHFFFAOYSA-N 364.453 2.588 0 50 FFAA C[C@@H](NC(=O)c1c(I)cnn1C)[C@@H]1C[C@H]2CC[C@H]1C2 102616585 SLVMUBMMGSEGED-RCWTZXSCSA-N 373.238 2.579 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1 299756061 BDHXFXGWSZZAOH-UHFFFAOYSA-N 358.398 2.616 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]4OCc5cnnn5[C@H]4C3)cc2)o1 299768769 ZBGCGKBVWUZKIQ-HKUYNNGSSA-N 364.405 2.833 0 50 FFAA CCc1noc(CCNC(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)n1 299798363 RFCHGUZVYVNDTK-LBPRGKRZSA-N 357.414 2.512 0 50 FFAA CCOc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc1 299786729 PWHAAXLKTYYKIX-UHFFFAOYSA-N 368.481 2.714 0 50 FFAA COCC(=O)Nc1cc(NC(=O)c2c(C)nc3sccn23)ccc1OC 824313411 WZNVIBXUWYFDSR-UHFFFAOYSA-N 374.422 2.550 0 50 FFAA O=C(NC1CCN(CCO)CC1)N1CCCC[C@@H]1CCc1ccccc1 584901285 LXDBOJRXNIFGLM-HXUWFJFHSA-N 359.514 2.640 0 50 FFAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)c2cccc(C3CC3)c2)CC1 952886749 RKBJNLZKCUTNJC-RTBURBONSA-N 356.466 2.697 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2nc(C)c(C)nc2C)C3)o1 952851804 WMJDJNHZLIKUSB-LIRRHRJNSA-N 355.442 2.541 0 50 FFAA CN(Cc1ccc(N(C)C)nc1)C(=O)c1cnn(C)c1Cc1ccccc1 1875261399 JRGHKLDBQGWLEE-UHFFFAOYSA-N 363.465 2.744 0 50 FFAA Cn1nccc1-c1n[nH]cc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 1875292534 LHGZVLJMHPKZPM-OAQYLSRUSA-N 365.481 2.627 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCn1ccnc1C1CCC1 1875320442 DIWMBCHGUCLQRW-XDJHFCHBSA-N 366.465 2.834 0 50 FFAA NC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc3cccnc23)C2(CCC2)C1 1875309933 VKVZRFSXDRXFHS-LBPRGKRZSA-N 365.886 2.780 0 50 FFAA O=C(N[C@@]12CCCCC[C@H]1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1 1875405129 UOHRQCHFBBJEHC-YLJYHZDGSA-N 356.470 2.662 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2[nH]1 952977897 OTACCGVDSJWOKW-GFCCVEGCSA-N 364.405 2.995 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)C1(c2ccccc2)CC1 1565509612 IVUXWGYQFBBPPY-OALUTQOASA-N 352.434 2.604 0 50 FFAA CCn1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1C 1565512380 ICPJVQAHAFWBPF-MOPGFXCFSA-N 352.482 2.948 0 50 FFAA Cc1nc(S)sc1CC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 165558197 GZLZDJMKEPJZCX-LLVKDONJSA-N 360.863 2.925 0 50 FFAA COc1ccnc(N2CCN(C(=O)c3ccc4c(c3O)CCCC4)CC2)c1 185968250 NJNZQBIJSBPDGO-UHFFFAOYSA-N 367.449 2.637 0 50 FFAA COC(=O)CC[C@H]1NC(=O)N(c2cc(F)c(OC(C)(C)C)c(F)c2)C1=O 278203271 SEUATNHAJIOXTM-GFCCVEGCSA-N 370.352 2.520 0 50 FFAA CCCOc1ccc(CN2C(=O)CN(Cc3ncccn3)C2=O)c(C)c1 170614055 DDFKYNBBVBZZDS-UHFFFAOYSA-N 354.410 2.538 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)CCN3CCCCCC3=O)C[C@@H]2N(C)C)cc1 213407154 FCSYEGNUJOQRPH-UXHICEINSA-N 371.525 2.644 0 50 FFAA COc1cc(-c2onc(N3C[C@H](C)O[C@H](C)C3)c2C(=O)O)ccc1F 1704314139 PLJPEDSBAGXXPK-AOOOYVTPSA-N 350.346 2.801 0 50 FFAA O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCN(c2ccccn2)CC1 5043323 YCBQQEOTLZAQDF-UHFFFAOYSA-N 369.808 2.804 0 50 FFAA Cc1ccc(CN(C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)o1 11933427 JFKWVFXWTRLYGG-FQEVSTJZSA-N 360.429 2.713 0 50 FFAA COc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 12138545 TUVQJZBMRWBRQM-INIZCTEOSA-N 354.406 2.856 0 50 FFAA Cc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(-c2ccccc2)n1 169752728 UKWCGHJMSWVPIA-UHFFFAOYSA-N 362.433 2.923 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857697090 UWVHJZOMGKZYNK-LJQANCHMSA-N 373.840 2.568 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1ccccn1 1857702718 ASHWBMNNEYQJIZ-XYJFISCASA-N 357.841 2.679 0 50 FFAA Cc1cccc(CNC(=O)N2CCC[C@@]3(CCc4c(O)nc(C)nc43)C2)c1 1857707748 INWSFGUOJOQRAI-OAQYLSRUSA-N 366.465 2.989 0 50 FFAA CCC[C@]1(CO)CCN(Cc2ccc(OC)c(OC)c2Cl)C[C@H]1O 1875243546 LMMZQZGWHVUYGJ-CRAIPNDOSA-N 357.878 2.703 0 50 FFAA NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)C1 333692889 PXAPJJOAENSFIF-MCIONIFRSA-N 363.424 2.504 0 50 FFAA O[C@@H]1[C@H]2C[C@@H]3CN(c4cncc(OCc5cccc(Cl)c5)n4)[C@@H]1[C@H]3C2 249388820 BNPKUWSLYAQKNP-XFJQVIQYSA-N 357.841 2.915 0 50 FFAA Cc1cn(C(C)(C)C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)cn1 900704548 XVENXJJCIFVRQY-UHFFFAOYSA-N 369.469 2.655 0 50 FFAA CCS(=O)(CC)=NC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 925894328 XPWFEZTUHHMYAJ-UHFFFAOYSA-N 357.439 2.772 0 50 FFAA CC[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc(COc2cccc(O)c2)nn1 2325863283 CNHHRBMXEKJVAG-GOEBONIOSA-N 358.442 2.600 0 50 FFAA C[C@H]1C[C@@H]1CC(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867796 GEGGWBNKUFYLSP-DZGCQCFKSA-N 359.470 2.543 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(N3CCCCC3=O)c2)CC1 2325888334 IWTSKJNBJPBMIH-UHFFFAOYSA-N 355.438 2.567 0 50 FFAA CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCCCC[C@H]1C(=O)OC 640767 FMVVKMLLCZQTBI-IFXJQAMLSA-N 370.442 2.592 0 50 FFAA Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)c(C)c1 861995 XDQWNQIDMQCBQJ-MAUKXSAKSA-N 354.406 2.876 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cccc(-c2cncc(N)n2)c1 2356148178 KSKQASQEBHQOOQ-KRWDZBQOSA-N 360.417 2.802 0 50 FFAA O=C(c1cccc2c1COC2)N1CCc2nc(-c3ccccc3)nn2CC1 2356163358 ALBYVJSROJQIBB-UHFFFAOYSA-N 360.417 2.674 0 50 FFAA CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)[C@@H](C(=O)O)C1 4902953 ZSIOQPWHGGVIDW-RYUDHWBXSA-N 362.451 2.721 0 50 FFAA CNc1nc(C)c(C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)[C@@H]2C)s1 55401776 BHQQWJNVCMSJLC-AWEZNQCLSA-N 372.494 2.675 0 50 FFAA CS(=O)(=O)N1CCC(C(=O)NCCCc2cccc3ccccc23)CC1 65363874 PZTWLEYXKHPLDY-UHFFFAOYSA-N 374.506 2.560 0 50 FFAA C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 117747206 XCWJFHHMYVFRPD-RHSMWYFYSA-N 354.406 2.984 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(C3CCCCC3)C2)C12CCOCC2 248562386 GLZUDJWDILUNBO-QXAKKESOSA-N 364.530 2.731 0 50 FFAA COc1ccc2[nH]cc(C(=O)N3CCC(c4ccncc4)CC3)c(=O)c2c1 72433836 WQCKAHUETWCHGI-UHFFFAOYSA-N 363.417 2.952 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)c1cc(C2CCNCC2)ncn1 67821139 HVXXBDDOOPZPCP-AWEZNQCLSA-N 354.454 2.912 0 50 FFAA C[C@H](Cc1ccncc1)NC(=O)CCc1nc(-c2ccccc2F)no1 65371272 JVDCXSIUBGSPJJ-CYBMUJFWSA-N 354.385 2.951 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 216250114 RKLTYWLVOJEWML-UHFFFAOYSA-N 353.470 2.810 0 50 FFAA C[C@@H](C(=O)NCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780353 WYFQTJMKFHJVLG-QMMMGPOBSA-N 352.788 2.672 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccccn2)C1)c1cccc(-c2cn[nH]c2)c1 12432832 MNBMSDGRBKCTSZ-FQEVSTJZSA-N 361.449 2.866 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCN[C@@H](c3cccc(F)c3)C1)CO2 328658981 RYQXXYOMGREHHK-VQIMIIECSA-N 370.424 2.559 0 50 FFAA CCCN(C)C(=O)C[C@@H]1COCCN1C(=O)Nc1cccc(SC)c1 72419209 LFGVOUVDFPZXII-OAHLLOKOSA-N 365.499 2.900 0 50 FFAA CCn1c(CC2CCN(Cc3ccc([C@H](C)N(C)C)cc3)CC2)n[nH]c1=O 71661891 HFVVDVKONGZNPN-INIZCTEOSA-N 371.529 2.669 0 50 FFAA COc1ccccc1N1CCN(CC(C)(C)CN2CCOCC2)[C@@H](C)C1 72131854 ZHYIVQQJXSVLSU-SFHVURJKSA-N 361.530 2.564 0 50 FFAA Cc1ccc(-n2cnnc2)c(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 333739999 LHLKEMAIVNNKRF-PKOBYXMFSA-N 354.454 2.589 0 50 FFAA COCCc1noc([C@H]2CCCN(c3ncnc4sc(C)cc34)C2)n1 77455807 COFMIDRNVVIGNH-LBPRGKRZSA-N 359.455 2.956 0 50 FFAA Cc1noc(-c2cccnc2NC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 377986555 LWFMZHNUHQVZMZ-RDJZCZTQSA-N 350.426 2.940 0 50 FFAA CC[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1N1CCOCC1 378177298 DJCIBYMVDUSKLZ-CJNGLKHVSA-N 367.877 2.923 0 50 FFAA CC(C)c1cc(N2CCN(Cc3ccc(F)cc3)C(=O)C2)n2nccc2n1 72147287 MSIFBIYCEGRSAD-UHFFFAOYSA-N 367.428 2.841 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)C1 175076890 DILUSDDXXSDZBE-QGZVFWFLSA-N 356.474 2.832 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(Cc2ccccc2)no1 241132841 JMDDUIYJBJISPB-BBWFWOEESA-N 355.438 2.967 0 50 FFAA COc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)ccc1OCC(N)=O 176543046 BSFJZXSMEVPPEB-RHSMWYFYSA-N 368.433 2.578 0 50 FFAA CNc1nc(-c2cccc(C(=O)N(C)CCC[C@@H]3CCCO3)c2)ncc1F 426420418 SLHFROMINZQCBW-MRXNPFEDSA-N 372.444 3.356 0 50 FFAA CC[C@@H](CNC(=O)c1cccc(-c2ccc(OC)c(C(N)=O)c2)c1)N(C)C 426662109 LYMBEEVYJMOYTG-KRWDZBQOSA-N 369.465 2.531 0 50 FFAA Cc1nc(O)nc(O)c1-c1cccc(C(=O)NCCCOC2CCCC2)c1 426422714 CLOUFKHBNNDDJQ-UHFFFAOYSA-N 371.437 2.942 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@H](OCc3ccccn3)C1)CCC2 82138849 VHZXBGFWBBOLNZ-KRWDZBQOSA-N 367.449 2.795 0 50 FFAA Cc1nnc(SCCCNC(=O)N2CCC(c3cc[nH]n3)CC2)s1 426505971 XYONNVUMUUAIPO-UHFFFAOYSA-N 366.516 2.641 0 50 FFAA CCOc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1OCC 426739592 DBJZLSXCHITCNP-ZAAXVRCTSA-N 363.454 2.629 0 50 FFAA CCOC(=O)c1cccnc1-c1ccc(C(=O)N[C@@H]2CCCN(C)C2)cc1 426519002 QRNKPGRTDVXDEN-QGZVFWFLSA-N 367.449 2.749 0 50 FFAA Cc1ccc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)c2cccnc12 426510276 NPLMZKBLUBSZNM-QGZVFWFLSA-N 368.481 2.854 0 50 FFAA CCOC(=O)CCNC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 91468640 JABMBKHMEJNZIF-KRWDZBQOSA-N 368.437 2.773 0 50 FFAA CC1(C)SC[C@@H](C(=O)NCCCSCc2ccccc2F)NC1=O 97785528 WMGSAULALZDCJS-AWEZNQCLSA-N 370.515 2.575 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc3nc(C)sc3c2)on1 96161781 XHKSPDBGEFPBSI-CJNGLKHVSA-N 357.435 2.889 0 50 FFAA CCC[C@H]1CN(CCCC(F)(F)F)C[C@@H]1NC(=O)c1cncnc1C 91736937 WJXXFZLLTPNADE-ZFWWWQNUSA-N 358.408 2.958 0 50 FFAA Cn1c(=O)oc2cc(NC(=O)NCCN3CCCc4ccccc43)ccc21 95528476 YLRFCYXBNCKNHI-UHFFFAOYSA-N 366.421 2.706 0 50 FFAA O=C(Nc1nccn1Cc1ccc(Br)cc1)C1CCNCC1 236711608 ZWZZSHIQHYBMAF-UHFFFAOYSA-N 363.259 2.632 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](c2nccn2CC2CC2)C1 95509290 DQZKMZFBRPABHJ-GOSISDBHSA-N 369.513 2.982 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c(=O)[nH]c1C 95375604 OFEWBEKDZQNGEF-HNNXBMFYSA-N 370.453 2.683 0 50 FFAA O=C(c1n[nH]c2c1CCCC2)N1CCn2nc(Cc3ccccc3)cc2C1 96153345 YHPFELVOYYUCAK-UHFFFAOYSA-N 361.449 2.732 0 50 FFAA COc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1C 95506357 WWIXWZHSZVFOIO-QGZVFWFLSA-N 370.497 2.782 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)Cc2ccc3nonc3c2)cn1 92066070 KFXLBFBAVYIQIQ-UHFFFAOYSA-N 363.377 2.689 0 50 FFAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cc(O)n[nH]2)cc1C 91986947 OMUNRJUMSYQOAQ-OAHLLOKOSA-N 351.410 2.725 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)OC1=O 92001942 TXQOBSRSTKAVML-LBPRGKRZSA-N 350.440 2.656 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCN(c3ccnc(C)c3)CC2)c1 97575109 NCGYKHBOAPWDSV-UHFFFAOYSA-N 363.465 2.907 0 50 FFAA COCCOCc1nc(C2CCOCC2)nn1-c1ccc2c(c1)CCC2 96136453 FNRPOMUTRMBDRM-UHFFFAOYSA-N 357.454 2.813 0 50 FFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N1CCN(c2ccncc2)CC1 97775782 JFZZPOQFVZJYSR-AZUAARDMSA-N 356.514 2.775 0 50 FFAA COCCn1c(C)cc(C)c(C(=O)Nc2cccc3ncccc23)c1=O 253406860 JJJXUDMPWVLHIO-UHFFFAOYSA-N 351.406 2.912 0 50 FFAA CCc1nc(C)c(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)o1 252571531 YCORHOOHSPTVNP-DAYGRLMNSA-N 356.422 2.722 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)c2)no1 299750360 NFJURMYHIGVHLG-MAZHCROVSA-N 355.394 2.903 0 50 FFAA CCN1CCN(CCCNC(=O)N(Cc2sccc2C)C2CC2)CC1 534671618 SEKRRNRZVRWTIT-UHFFFAOYSA-N 364.559 2.758 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(-c2ncc(F)c(N3CCCC3)n2)c1 534664680 JNFCYGBULSLHCA-MRXNPFEDSA-N 370.428 2.792 0 50 FFAA C[C@@]1(O)CCCN(C(=O)c2ccc(-c3cccc(-n4cnnc4)c3)cc2)C1 534653082 FLUPAWFODKWEJZ-OAQYLSRUSA-N 362.433 2.921 0 50 FFAA Cc1cccn2c(CC(=O)NCC[C@H]3COc4ccccc4O3)cnc12 65369752 ACAHENKCUOCJKB-INIZCTEOSA-N 351.406 2.532 0 50 FFAA Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2S(=O)(=O)CC1CCCC1 1279850925 AHLQHZNKCOWNLC-HOTGVXAUSA-N 369.556 2.620 0 50 FFAA Cc1ccc([C@H](NC(=O)C(C)(C)N2CCOCC2)c2ccncc2)cc1 299776750 LJJNHUSAFDNKAO-IBGZPJMESA-N 353.466 2.706 0 50 FFAA COc1ccccc1N1C[C@H](NC(=O)N2CCc3sccc3C2)CC1=O 584886324 RRDJSGRQNGBYPD-CQSZACIVSA-N 371.462 2.630 0 50 FFAA CC(=O)c1cc(CN2CCC(CNC(=O)c3csc(C)n3)CC2)n(C)c1 825317543 XLWVDHAHFLGMOL-UHFFFAOYSA-N 374.510 2.635 0 50 FFAA CCc1nccn1CCNC(=O)c1ccc(-c2ncnn2C(C)C)cc1 584896283 SPHYYNFVGRCVHE-UHFFFAOYSA-N 352.442 2.715 0 50 FFAA C[C@H]1CCN(c2cc(C(=O)NC34CCC(C(=O)O)(CC3)CC4)ccn2)C1 1875304723 RUKULYIMJMBADR-JAGHRAMZSA-N 357.454 2.835 0 50 FFAA O=C(Cc1ccsc1)NCC1CN(C(=O)c2ccc3cc[nH]c3c2)C1 1875387970 HYDOECDRMJWDDM-UHFFFAOYSA-N 353.447 2.660 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 1875371293 WMRHHEKJASWNJG-NHYWBVRUSA-N 371.264 2.568 0 50 FFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cc(C)nc(C)n2)cc1 952873053 FLHTWBNBBSYCJY-LJQANCHMSA-N 369.465 2.966 0 50 FFAA Cn1ncc(C(=O)N2CCCc3c(Br)cc(Cl)cc32)n1 888097070 YXCOUGWOQDLIKV-UHFFFAOYSA-N 355.623 2.824 0 50 FFAA O=C(c1ccc(CO)o1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565531205 PKKLUYSHYYBMEG-WHSLLNHNSA-N 369.417 2.883 0 50 FFAA Cc1nn(C)cc1CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 170616026 RTBOBQIBIGZUHI-LJQANCHMSA-N 354.454 2.509 0 50 FFAA COC(=O)N1CCC[C@H](C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 171485606 NSDBUZOBDPJTMY-ZDUSSCGKSA-N 360.389 2.737 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCC(O)(c2cccnc2)CC1 1506427677 OVJDOKYIHHDUQE-IBGZPJMESA-N 369.465 2.791 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)C1 1506404468 UMMVAENGZKBSTQ-CQSZACIVSA-N 361.405 2.602 0 50 FFAA COC(=O)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1 1114735 KVDPZSMSCOJCOZ-XFXZXTDPSA-N 350.168 2.986 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)s1 1616076243 GJOGQUCASUXISV-IRXDYDNUSA-N 370.474 2.849 0 50 FFAA Cc1ccc(C(=O)N2CCCN([C@H](C)C(=O)Nc3ccccn3)CC2)cc1 1772704672 KJMREKXCZVBLMD-QGZVFWFLSA-N 366.465 2.565 0 50 FFAA CCc1cccc(C)c1NC(=O)N1CCCN(C(=O)[C@H]2CCOC2)CC1 1775977401 IWCDWUGVZKNPOV-KRWDZBQOSA-N 359.470 2.660 0 50 FFAA O=C(CCC(=O)N1CCC(c2ccnc(O)c2)CC1)N1CCCCCC1 1772818865 MGXGZNFUTNJOBB-UHFFFAOYSA-N 359.470 2.676 0 50 FFAA O[C@@H](CNC1CCCC1)COc1c(F)cc(Br)cc1F 5050186 XCYFHAWODUVFHJ-NSHDSACASA-N 350.203 2.999 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@@H]3C(=O)NCc2cccs2)cnn1C 11981299 IDJHSZWQTXDHLA-QGZVFWFLSA-N 358.511 2.709 0 50 FFAA CCOC(=O)CC1(NC(=O)[C@H]2CCN(c3ccccc3)C2=O)CCCCC1 12049180 HAXIDZONJLIGKN-QGZVFWFLSA-N 372.465 2.812 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)Nc3ccccc3C)CC2=O)cc1 12303683 DGONWEXZABQJFW-QGZVFWFLSA-N 367.449 2.969 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(C)(C)C)C2)cc1 12479390 ZQGFCUBWDUFDSI-HNNXBMFYSA-N 354.516 2.732 0 50 FFAA CCN(CC)CCNC(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12595272 IJHFPILUUZHISC-INIZCTEOSA-N 365.905 2.537 0 50 FFAA COc1cccc(OCc2nc(C(=O)N[C@H]3CCOC(C)(C)C3)co2)c1 12596041 GBTZTPJHDQQUJW-ZDUSSCGKSA-N 360.410 2.950 0 50 FFAA CCS(=O)(=O)N1C[C@@H](C(=O)Nc2c(C)cccc2C)Oc2ccccc21 13677823 NHLFHORWBXXORP-KRWDZBQOSA-N 374.462 2.859 0 50 FFAA CCOC(=O)C1(CCOC)CCN(Cc2c(C)nn(C)c2Cl)CC1 15065345 JPTYWQREMHEHCH-UHFFFAOYSA-N 357.882 2.564 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1 19773783 AZVXRZZZVPBVDY-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1ccccc1N1CCN(c2ncc3c(n2)C[C@H](C)CC3=O)CC1 19957321 WBSZZGDKQGNGHK-AWEZNQCLSA-N 352.438 2.577 0 50 FFAA COc1ccccc1Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 169754277 SKPHMSLMBGYQHH-UHFFFAOYSA-N 368.408 2.950 0 50 FFAA O=C(CCC(F)(F)F)N1CCC[C@]2(C1)CN(c1ccncc1)CC[C@H]2O 1857681160 ALQLNBZFVDPMPC-NVXWUHKLSA-N 371.403 2.604 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)C1(c3ccc(OC)cc3)CCCC1)C2 1857693920 SGCRWYLVSFGIAN-FQEVSTJZSA-N 372.465 2.950 0 50 FFAA CCOCCC(=O)N1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857699887 CDYNOHYNKNZHFU-HXUWFJFHSA-N 361.486 2.713 0 50 FFAA CC[C@@]1(C(=O)NCCc2cc[nH]n2)C[C@@H]2CC[C@H]1N2Cc1ccsc1 1875246055 HFVUFJSDLRUQOK-YQVWRLOYSA-N 358.511 2.963 0 50 FFAA Cc1ccc(-n2cc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)cn2)cc1C 1875247865 RJOBVEWGIFHZJA-FGZHOGPDSA-N 366.509 2.784 0 50 FFAA CN(C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1)c1ccccc1 220261337 ADEOKGPOABLDIU-PBHICJAKSA-N 370.478 2.822 0 50 FFAA COc1ccccc1-c1c(C)nn2c(N3CCN(C)CC3)cc(C)nc12 5346368 AHDCYGMYEBPWBA-UHFFFAOYSA-N 351.454 2.774 0 50 FFAA O=C(c1cn([C@H]2CCOC2)nn1)N(C1CC1)[C@@H]1CCCc2ccccc21 330035435 BUEKGPWDRDQDQP-QFBILLFUSA-N 352.438 2.922 0 50 FFAA CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)C)c1=O 12200727 YCXWMQPWVAQNGD-UHFFFAOYSA-N 361.486 2.831 0 50 FFAA O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CCCOC1 136693004 RZKGWPLZHWLCDO-HNNXBMFYSA-N 366.889 2.726 0 50 FFAA COC(=O)c1sc2ncc(CN[C@@H]3CCc4c[nH]nc4C3)cc2c1C 2325725562 BNXCWLAFULXRCO-CYBMUJFWSA-N 356.451 2.762 0 50 FFAA O=C(N1C[C@@H]2C(F)(F)C(F)(F)[C@]2(Cl)C1)C(F)(F)c1cncs1 2325769907 PCWUVUYKSBSASR-XNCJUZBTSA-N 364.698 2.955 0 50 FFAA Cc1cccnc1[C@H]1CCN(C(=O)C[C@H](O)c2nc3ccccc3[nH]2)C1 2325810717 ZNAMBRSBBZWZSC-YOEHRIQHSA-N 350.422 2.706 0 50 FFAA Cn1nc(-c2ccsc2)cc1NC(=O)NC[C@H]1Cc2ccccc2CN1 2325858232 DWNQNMCMCKGGRK-MRXNPFEDSA-N 367.478 2.985 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cnc(-c4ccoc4)[nH]c3=N)C2)[nH]c1C 2325858894 GAGIXBOEKNZPNF-CYBMUJFWSA-N 366.425 2.509 0 50 FFAA CC(=O)N1CCC[C@@H](CCNC(=O)Cc2ccc3cnccc3c2)CC1 2325866929 FGOOBQLRGDJEQB-KRWDZBQOSA-N 353.466 2.932 0 50 FFAA CCOC(=O)C1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1 665587 HJZGDSQKVLFVKB-UHFFFAOYSA-N 366.417 2.602 0 50 FFAA O=C(c1ncc[nH]1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356142654 BIOBDUCINSRZCC-NRFANRHFSA-N 359.433 2.987 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)CCc3cnccn3)C2)c2cccc(=O)n21 2356161107 GNZFNPWVCBVLGU-JZXOWHBKSA-N 366.465 2.558 0 50 FFAA CCOC(=O)N1CCN(C(=O)C2CCN(CC3CCCCC3)CC2)CC1 4599089 WLMFUOHIHATLIF-UHFFFAOYSA-N 365.518 2.579 0 50 FFAA COC(=O)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 4673071 SBMBDOMQBVOUEZ-LLVKDONJSA-N 367.121 2.876 0 50 FFAA O=C([C@H](NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCCCC1 6702316 YJQZIJPAXXMXJL-GOSISDBHSA-N 358.463 2.719 0 50 FFAA O=C1NCCN(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)[C@H]1c1ccccc1 246778552 ZEWJCQANHMKNTN-WTGUMLROSA-N 361.445 2.598 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(C)cc2C)C1 106235755 MTYIXSVBRYMVPR-CVEARBPZSA-N 352.500 2.542 0 50 FFAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 248069115 FTRQXIFUSHIUAY-RDGPPVDQSA-N 371.529 2.557 0 50 FFAA Cc1ccc2[nH]c(CN3CCN(c4ncccc4C(N)=O)CC3)c(C)c2c1 67675946 IOIKOXJYGKAUGC-UHFFFAOYSA-N 363.465 2.601 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@H]1c1cccc(F)c1F 121284557 YOCXTFZYHGDWKX-VHDGCEQUSA-N 358.392 2.644 0 50 FFAA O=C1C[C@@H](c2ccc3cccc(O)c3n2)c2c(nc3sccn23)CN1 65434214 CKGDOEKLRCIHEW-NSHDSACASA-N 350.403 2.801 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2Cc2c[nH]cn2)cc1 11818975 RAXYCERXWVCUMJ-SFHVURJKSA-N 350.426 2.507 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)N(CCO)Cc1ccc(Cl)cc1 252508686 XQVXDLOZXJKDMC-UHFFFAOYSA-N 362.813 2.773 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 252513186 XXJDIIPFFBQJCX-WIHIRCLASA-N 357.406 2.706 0 50 FFAA CCOc1ccc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1 252549758 RUSAOYQKKNFFHL-UHFFFAOYSA-N 372.805 2.533 0 50 FFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1c1cccc2c1OCCO2 328770282 AACSTWJBODNCHM-DYVFJYSZSA-N 353.422 2.650 0 50 FFAA COC[C@H]1CCN(C(=O)c2cc(Cn3cnc4cc(C)c(C)cc43)[nH]n2)C1 11935082 AMTCZKCEBQTQSF-HNNXBMFYSA-N 367.453 2.533 0 50 FFAA CN(C[C@@H](O)COc1ccccc1CN1CCOCC1)C1CCCCC1 11946098 CLJGVXSHZRNWCG-HXUWFJFHSA-N 362.514 2.523 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 12712203 YRAJUCCTIYPLKW-QGZVFWFLSA-N 355.438 2.936 0 50 FFAA CCn1cc(NC(=O)c2ccc(C)cc2)c(C(=O)NCc2ccco2)n1 2795648 BNNUENQYUCVDQO-UHFFFAOYSA-N 352.394 2.987 0 50 FFAA Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=N)O)c3)CC2)c1 332399535 RUEJYLMZOTZMPB-UHFFFAOYSA-N 373.478 2.698 0 50 FFAA CC(C)c1noc2nc(C3CC3)cc(C(=O)NCc3csc(=O)[nH]3)c12 124195854 HGBYIVPGQSQTPT-UHFFFAOYSA-N 358.423 2.903 0 50 FFAA O=C(c1ccncc1Cl)N(Cc1nccs1)[C@H]1CC12CCNCC2 435571704 XZQQTLWDOWKYCH-AWEZNQCLSA-N 362.886 2.976 0 50 FFAA CCOC(=O)C[C@@H]1CCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 125079260 BXXNXJRKMBLVHP-JTQLQIEISA-N 351.403 2.549 0 50 FFAA COc1cc(C(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)on1 363819622 KTTUEMGGYWGCTP-UHFFFAOYSA-N 355.438 2.812 0 50 FFAA CN(CC(=O)O)C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 237177121 JSWXAONTMVZXQW-UHFFFAOYSA-N 367.327 2.925 0 50 FFAA O=C(CCCn1nnc(-c2ccc(F)cc2)n1)N[C@H]1CC[C@@H]2CCC[C@@H]21 77440557 QPXGDYUWAUAOKI-JQFCIGGWSA-N 357.433 2.954 0 50 FFAA Cc1cc(CNc2ccnc(N3CCCCC3)n2)nc(N2CCCC2)n1 488753509 ZFSNFUQQMZGHHP-UHFFFAOYSA-N 353.474 2.778 0 50 FFAA COc1ccc2c(CN3CCCN(Cc4ccncc4)CC3)n[nH]c2c1 72137232 GSFCDAKASLOMNC-UHFFFAOYSA-N 351.454 2.674 0 50 FFAA COc1ccc(F)cc1-c1cc(C(=O)O)cc(S(=O)(=O)NC(C)C)c1 72159332 HNMHUFCQIBFDLH-UHFFFAOYSA-N 367.398 2.886 0 50 FFAA Cn1nc2c(c1C(=O)N[C@H]1CCCN(Cc3ccccc3F)C1)CCCC2 72438945 VHFFOJPGCRFWRZ-INIZCTEOSA-N 370.472 2.832 0 50 FFAA CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 15074365 OPZLFQHTENWFPY-OAQYLSRUSA-N 366.509 2.973 0 50 FFAA CO[C@H](Cc1ccccc1)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 450706591 KEJIWDHTHBYUOR-HXUWFJFHSA-N 371.452 2.979 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@H]2CC=CCC2)CC1 72481414 QRNBRPMAPUWRGC-HNNXBMFYSA-N 359.422 2.876 0 50 FFAA O=C(O)C[C@@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 262849258 CYFYECTWJGTZLP-KRWDZBQOSA-N 358.438 2.572 0 50 FFAA CCc1nccn1CCC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 77339270 KWDOSFCLQONYDA-LJQANCHMSA-N 355.482 2.678 0 50 FFAA Cc1c(O)cccc1C(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219550691 FBANTUHVCISRBH-ALLBUHFWSA-N 353.418 2.878 0 50 FFAA CC(C)OCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72472824 QRIRWGLAACPGKG-NRFANRHFSA-N 358.482 2.843 0 50 FFAA CC(C)c1nnc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)o1 76292359 STLZSZQLBMPGII-UHFFFAOYSA-N 368.481 2.990 0 50 FFAA COc1cccc(CN2CCC[C@H](NS(=O)(=O)c3cccs3)C2)c1 72157540 XSLRSYGDBRZQKW-HNNXBMFYSA-N 366.508 2.700 0 50 FFAA CCNc1ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1 176980844 NTUXTVCFBXBCLA-UHFFFAOYSA-N 371.466 2.695 0 50 FFAA Cc1nccn1CCNC(=O)N(C)Cc1ccccc1CN1CCCC1 426398015 GFWUCZMUJYWCRQ-UHFFFAOYSA-N 355.486 2.629 0 50 FFAA CC(C)c1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)no1 426669137 PNONOKHNIHSUHU-MRXNPFEDSA-N 354.454 2.831 0 50 FFAA O=C([C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC1 82099355 AMQACYITMDLLPX-FQEVSTJZSA-N 355.526 2.638 0 50 FFAA CCN=c1cc[nH]c(-c2ccc(C(=O)NCc3cc(C4CC4)n[nH]3)cc2)n1 426711945 AANGLNOUBYRMAT-UHFFFAOYSA-N 362.437 2.528 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2c1 426504623 QSNZOXPDRXZRAQ-ZDUSSCGKSA-N 353.426 2.989 0 50 FFAA CC(C)c1noc(CN(C)C(=O)c2ccc(-c3c[nH]ccc3=N)cc2)n1 426487960 ILTSMPFWZKLFCJ-UHFFFAOYSA-N 351.410 2.940 0 50 FFAA COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cn3ccc(C)cc3n2)C1=O 95361914 RKAHQMHFLIRMTE-KRWDZBQOSA-N 365.389 2.500 0 50 FFAA Cc1cccc2oc(CNC(=O)c3cnc(-c4cccnc4)nc3O)nc12 91468437 SNNNKYYUBMKONR-UHFFFAOYSA-N 361.361 2.624 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 95500804 GIMULNSTQUUVST-QGZVFWFLSA-N 368.547 2.983 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCCc3nnc4ccccn34)[nH]n2)s1 91585751 OZPPHCDLJVPIDN-UHFFFAOYSA-N 366.450 2.852 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1ccc(OC)cc1)C2 91896261 AOMFNKZWTCHDAC-QFBILLFUSA-N 370.497 2.628 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCCN(Cc2ccccn2)CC1)N(C)C 95383457 NGCPVDZXSZRCNU-NRFANRHFSA-N 366.509 2.727 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1 91695854 IJQNGCNRVCIXBD-UHFFFAOYSA-N 373.453 2.949 0 50 FFAA Cc1ccsc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)O)C2)CC1 91849321 PBAHNGBNYRFJPO-AWEZNQCLSA-N 350.484 2.734 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(c4ncncc4CC(=O)O)C3)nc12 95363779 RRXAKMJIUZIQAN-ZDUSSCGKSA-N 351.410 2.672 0 50 FFAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccnc(N2CCCCC2)c1 182487152 QFYPGDKNPSFOEU-SJORKVTESA-N 351.516 2.517 0 50 FFAA CSCC[C@@H](CO)NC(=O)c1cc(C)nc2c1cnn2C1CCCC1 252482059 CXGLJBZDRDIRHL-ZDUSSCGKSA-N 362.499 2.699 0 50 FFAA C[C@H](CNC(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1ccnc1 534587896 RHSJCGKMMGAHQE-GOSISDBHSA-N 369.513 2.793 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3[nH]cnc3-c3ccccc3)[C@H]2C1 299770392 VHMQCJGXKREEAZ-GQIGUUNPSA-N 355.438 2.875 0 50 FFAA Cc1ncc(C(=O)NCCCc2csc(N)n2)c(-c2ccccc2)n1 670467435 GGUVIUQYSNJTJG-UHFFFAOYSA-N 353.451 2.853 0 50 FFAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)c1[nH]c2ccccc2c1Cl 952889032 PQSSFYBHVQWZDS-DGCLKSJQSA-N 359.817 2.584 0 50 FFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccc2c(n1)CCCC2 952890498 VHEAWCOZESOGGL-INIZCTEOSA-N 354.410 2.749 0 50 FFAA CCO[C@@H](C)c1nc(-c2cccc(-c3n[nH]c(C)n3)c2)n(CCOC)n1 1875331134 QITUNUGWYZYOBT-LBPRGKRZSA-N 356.430 2.783 0 50 FFAA C[C@H]1CCCCCCN1C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1875360823 JUBAZIJSCPWBGH-VBKZILBWSA-N 372.469 2.605 0 50 FFAA CCOc1ncccc1CNC(=O)c1nn(CC)c2c1C[C@H](C)O[C@@H]2C 1875402030 YUWNCCDIFPEZIJ-QWHCGFSZSA-N 358.442 2.649 0 50 FFAA O=C(NCc1cc(-c2ccco2)on1)c1ccccc1N1CCOCC1 952972493 FQEOWLFLNHTNBQ-UHFFFAOYSA-N 353.378 2.701 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N[C@@H](CC(F)(F)F)C3CC3)cc2=O)cc1 888092663 OQKBTGXONUAPQM-AWEZNQCLSA-N 353.344 2.935 0 50 FFAA Cc1cc(Br)oc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 888078771 ZDMOWIVOVLTVAP-JTQLQIEISA-N 351.204 2.700 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565509982 ANQAFFQXAGDOLZ-ROUUACIJSA-N 361.388 2.998 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)[C@@H]1CCC[C@@H](C(F)(F)F)C1 408492994 FRYUYLCZHNYZLX-NZEXEKPDSA-N 353.406 2.990 0 50 FFAA C[C@H](CC(=O)O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 274959823 BIDHVIKLOUSANW-NXEZZACHSA-N 365.373 2.615 0 50 FFAA Cn1cncc1[C@H]1C[C@H](NCc2nc3ccc(Cl)cc3n2C)CCO1 275353272 AFCULCOSAZREER-CXAGYDPISA-N 359.861 2.970 0 50 FFAA Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(CCc2ccccc2)CC1 275586837 PMLICMVBDUGJEX-PMACEKPBSA-N 354.498 2.547 0 50 FFAA CC(=O)N1CCC(NC(=O)c2ccccc2SC[C@@H]2CCCO2)CC1 170601636 BTXQHEWNYUEHIT-INIZCTEOSA-N 362.495 2.698 0 50 FFAA CCOc1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(OCC)c1C 1529153016 OXLBJGGYPGFXKW-IEBWSBKVSA-N 373.497 2.859 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(Cl)s3)CC[C@@H]2N1CCCCO 215487322 CQVTVMSQISQXCG-HIFRSBDPSA-N 356.919 2.987 0 50 FFAA COc1ccc(OC)c([C@H](C)Nc2cncc(C(=O)N3CCCC3)n2)c1 1704278389 WPMRUBJDXCINSO-ZDUSSCGKSA-N 356.426 2.903 0 50 FFAA Cc1cc(-c2cnnc(NCCc3cn4nc(C)sc4n3)n2)c(C)o1 11935341 USMULAJSXFRFNW-UHFFFAOYSA-N 355.427 2.816 0 50 FFAA C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 11983106 LPHQCLKRAQNSJW-ZDUSSCGKSA-N 373.888 2.577 0 50 FFAA COc1ccc(CCN2C[C@H](C(=O)NCc3ccccc3)CCC2=O)cc1 12073176 BYJRHNVCMUMHIS-LJQANCHMSA-N 366.461 2.793 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)NC[C@H]2CCCCO2)no1 12300195 VJUBKCVXJKEQTE-CQSZACIVSA-N 354.410 2.680 0 50 FFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1nccs1)C2 14537523 RHYHSTFWCRDGCK-AWEZNQCLSA-N 373.526 2.540 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cnc[nH]2)CC12CCN(CC1CCCCC1)CC2 1857685260 GAUQCLBYSGEBEF-SFHVURJKSA-N 360.502 2.589 0 50 FFAA C[C@H](C(=O)NC(C)(C)C)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857695236 AOGSYLSBZRJGHY-OAHLLOKOSA-N 354.498 2.791 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3cc(F)c(F)cc3F)C[C@]23CC[C@H]1O3 1857725604 FGGCTBUTYQABRR-CKFGLLJZSA-N 368.399 2.610 0 50 FFAA COCCC[C@@]1(CO)CN(c2ccc3cc(Cl)ccc3n2)CC[C@H]1O 1875250445 ZFOYNGQWDQUNTK-MJGOQNOKSA-N 364.873 2.865 0 50 FFAA O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 122103483 VIZLAYZQQBILIF-IRXDYDNUSA-N 352.438 2.695 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 122720670 KWMVQTQGRNTUOG-WDEREUQCSA-N 369.299 2.609 0 50 FFAA COc1ccc(C(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)cc1 435569995 UQRIRSNNEJTPQU-INIZCTEOSA-N 357.479 2.936 0 50 FFAA Cc1c(C(=O)Nc2ccc3c(c2)N(C)CCO3)cnn1C1CCOCC1 125601545 BXZTUGWPLNSFGS-UHFFFAOYSA-N 356.426 2.624 0 50 FFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCCCCCC2)c1=O 14977747 PECCFNIAIWFZAE-UHFFFAOYSA-N 361.486 2.660 0 50 FFAA Cc1csc(C2(NC(=O)[C@H]3CCCN(C(=O)NC(C)C)C3)CCC2)n1 2325731486 GQRSHISOQKTGPV-AWEZNQCLSA-N 364.515 2.777 0 50 FFAA O[C@@]1(CNC[C@@H]2CCCN2Cc2ccccc2)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 2325754280 IVONYFBUDCTOAM-JLTMSGFWSA-N 364.533 2.750 0 50 FFAA OC[C@H]1CNCCN(Cc2cc3cc(Br)ccc3s2)C1 2325787101 AOYCHJMCIDXBSO-NSHDSACASA-N 355.301 2.678 0 50 FFAA Cc1cc(Br)c(F)cc1[C@H](C)NC[C@H]1CCC(=O)NC1=O 2325802221 QUUUCCXNCAMGBB-VHSXEESVSA-N 357.223 2.600 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)/C=C(\Cl)CCN(C)C)CC2 2325805615 WTJPROWEYKSBGZ-SSZFMOIBSA-N 366.889 2.705 0 50 FFAA CN(C)Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)[nH]1 2325816686 WQPHBYIASRBEOW-UHFFFAOYSA-N 365.437 2.791 0 50 FFAA COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 631109 BASUHVPACWTKJF-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 796674 GILCNPWRCBPFBD-OAHLLOKOSA-N 374.462 2.735 0 50 FFAA COc1cc(S(=O)(=O)n2cnc3ccccc32)c(OC)cc1Cl 807551 KWXOIJQTBWAWTR-UHFFFAOYSA-N 352.799 2.944 0 50 FFAA CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 816886 XAVSQJGHDWMZPR-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCC(=O)N32)cc1 977292 FMUVKECZEZHRMZ-INIZCTEOSA-N 360.435 2.907 0 50 FFAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)s1 1066363 NUSMFFUNJKUSDR-SNVBAGLBSA-N 355.217 2.564 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nnc(N)n2-c2ccccc2)cc1 1112367 BRENTVISDNIRNQ-UHFFFAOYSA-N 367.434 2.783 0 50 FFAA COc1nc2c(cc1C(=O)N1CC3(COc4ccccc4C3)C1)CCC2 2356148875 YGJJZDDXNQIPNI-UHFFFAOYSA-N 350.418 2.656 0 50 FFAA COc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1 4100658 QBIZGBDBVKRYSD-UHFFFAOYSA-N 361.405 2.651 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)Cc2ccccc2)cc1 4833548 RVEBSWGAEROPSE-IBGZPJMESA-N 373.474 2.710 0 50 FFAA O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 4869006 VWTICRVWLULTRB-UHFFFAOYSA-N 368.842 2.648 0 50 FFAA CCN(Cc1nc(COC)no1)C(=O)CCn1c(C)cc2ccccc21 55099201 LHFDFLOLRCJQBO-UHFFFAOYSA-N 356.426 2.918 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccccc2N2CCOCC2)cc1O 177552702 ABKIDPQMLYNFJT-UHFFFAOYSA-N 356.422 2.510 0 50 FFAA O=C(c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 55053868 AVYMLAKHURBTTQ-QPJJXVBHSA-N 364.445 2.929 0 50 FFAA CCC1=NO[C@@H](C(=O)N2CCC(Cc3nncn3-c3ccccc3)CC2)C1 55118736 YHFHUEJWZYJSTJ-GOSISDBHSA-N 367.453 2.603 0 50 FFAA CC(C)n1ncnc1NC(=O)c1cccc(CN(C)Cc2ccno2)c1 67649618 HSZJUJUKNAXHSJ-UHFFFAOYSA-N 354.414 2.731 0 50 FFAA C[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1cnc2ccccc21 175671842 PEFPALHQACDRSJ-INIZCTEOSA-N 363.465 2.773 0 50 FFAA O=c1n(CCOc2ccccc2)nc([C@H]2CCCNC2)n1-c1ccccc1 71758995 DIVBIDBXWKYBCM-KRWDZBQOSA-N 364.449 2.580 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc1 123558573 JPFSWMNLBQUKHG-MRXNPFEDSA-N 354.406 2.904 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCNc1ccc(C)cn1)CO2 172361769 ACOUKGUDJAOHHG-INIZCTEOSA-N 355.438 2.568 0 50 FFAA COC(=O)Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 120054696 RIECDOGKNUPJDA-UHFFFAOYSA-N 360.435 2.612 0 50 FFAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@@H](Nc2ccccc2)C1 229793969 VYTODONLVNMBMD-CRAIPNDOSA-N 367.449 2.971 0 50 FFAA c1ccc(CN2CCCO[C@H](CN3CC[C@@H](CN4CCCC4)C3)C2)cc1 230253055 TYWYNSCZJLXCTE-VXKWHMMOSA-N 357.542 2.695 0 50 FFAA CCC[C@H]1C[C@H]1C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 72165826 OATNPQOQMDYXCG-DOTOQJQBSA-N 365.481 2.926 0 50 FFAA CC1=NN(C(=O)[C@H](C)n2nc(C)c(Cl)c2C)[C@@](O)(C(F)(F)F)C1 6526569 BQLZOIDOZHVFDT-CABZTGNLSA-N 352.744 2.573 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc[nH]3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72163895 BYSFYAKEUCTEFZ-MISYRCLQSA-N 351.450 2.726 0 50 FFAA O=S(=O)(/C=C/c1ccccc1Cl)NC[C@@H]1CCn2ccnc2C1 328619807 GGFOLJLDSKCMSF-BCRSCGJKSA-N 351.859 2.689 0 50 FFAA CN(Cc1cn2ccccc2n1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328647638 UDICWAPUKJCGAW-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA Nc1c(Cl)cc(C(=O)NCCc2nnc(S)n2C2CC2)cc1Cl 154377520 RPOSCIMBMLURCX-UHFFFAOYSA-N 372.281 2.763 0 50 FFAA C[C@H]1C[C@@H](CSCC(=O)Nc2ccc(C(=O)N(C)C)cc2)CCO1 485598723 KPBGOVDNRYUMRN-KBPBESRZSA-N 350.484 2.875 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 77422435 AWUATVROZMSACA-QGZVFWFLSA-N 364.445 2.528 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)n1 77139378 IAZJEXBYGPWQOC-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)Nc3ccn(CC(F)F)n3)ccc2O1 440303970 LEPSEKQYOQRJGI-UHFFFAOYSA-N 357.382 2.663 0 50 FFAA Cc1nn(C)c2ncc(S(=O)(=O)NC(C)(C)c3cccs3)cc12 332202974 WDLJRYDSOJAYSP-UHFFFAOYSA-N 350.469 2.552 0 50 FFAA Cc1ccnc(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 332389141 QXONDJOFZPDGNX-INIZCTEOSA-N 359.495 2.677 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cnn(C)c2)CCCN1Cc1ccc(F)cc1 71721579 WKNSGEBUILQKCD-IBGZPJMESA-N 358.461 2.932 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@@](O)(CO)CC2)cc1 218832368 LZTFBODBDIPTQZ-QFIPXVFZSA-N 353.462 2.935 0 50 FFAA c1ccc(N2CCC(Nc3nccc(N[C@@H]4CCCOC4)n3)CC2)cc1 333221840 DUXCVDRUMZGUPS-QGZVFWFLSA-N 353.470 3.148 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)C(C)(C)N1CCOCC1 72458274 SEONIFPEQATLGE-UHFFFAOYSA-N 365.524 2.941 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 72143092 PSKKKDXWFHINKI-OAHLLOKOSA-N 359.209 2.669 0 50 FFAA CCC[C@@]1(CO)CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)C1 378074001 UENFKMYOMMARDL-LJQANCHMSA-N 360.433 2.706 0 50 FFAA O=C(c1ccc2nc(O)[nH]c2n1)N1CC2(CCOCC2)[C@H]1c1ccccc1 333946945 VDMGBNKPPWUYCS-MRXNPFEDSA-N 364.405 2.657 0 50 FFAA Cc1nc(CN2CCC[C@@](O)(CNC(=O)c3cccs3)CC2)cs1 72151259 ZHJPNCIPIXJNDY-KRWDZBQOSA-N 365.524 2.660 0 50 FFAA CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 242288001 YKGYPPPLFIGAJO-HUUCEWRRSA-N 366.456 2.575 0 50 FFAA Cc1ccsc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72474100 NVXAGTHPMUENNZ-HNNXBMFYSA-N 362.495 2.734 0 50 FFAA CSCc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)o1 82166463 VYCMSHAPGMIIOO-UHFFFAOYSA-N 360.479 2.979 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@@H](c2cccc(F)c2)N(C)C)CC1 223757611 LGWIEIHZMIIILW-LJQANCHMSA-N 358.461 2.872 0 50 FFAA C[C@@H]1CN(C(=O)Nc2cc(F)c(OC(F)F)cc2F)CC[S@](=O)C1 459541120 YSLOWHDXFNFKCL-VPCRFOHKSA-N 368.352 2.799 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n[nH]1 289164532 JTTZZZFDXTVGNT-WEFJBSGNSA-N 368.481 2.863 0 50 FFAA CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)cc1 177412371 RQBFHZBJBFZRPL-BEVDRBHNSA-N 370.493 2.733 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)cc1Cl 426442892 JSCXWBHMDPZDOU-CQSZACIVSA-N 361.829 2.949 0 50 FFAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 19606803 ZQPXSRTZFYHSFB-FQEVSTJZSA-N 368.477 2.841 0 50 FFAA COCCn1cncc1CNC(=O)N1CCC2(C=Cc3ccccc32)CC1 426504099 VDGFOJXTRIWFCK-UHFFFAOYSA-N 366.465 2.800 0 50 FFAA COc1ccccc1CN1CCN(c2cc([C@@H]3CCOC3)nc(C)n2)CC1 426414874 VXOOKSLDHPKPGM-GOSISDBHSA-N 368.481 2.620 0 50 FFAA O=C(NC1(C(=O)O)CCC1)c1ccc(CN2CCc3ccccc3C2)o1 426549034 AVUCBTVIGMILFT-UHFFFAOYSA-N 354.406 2.575 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239433351 XOEWKCSFZZAOHN-TXFQPVFDSA-N 362.451 2.651 0 50 FFAA O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCC[C@H]1c1nc[nH]n1 179345928 URVXWYSREWHVNZ-IRXDYDNUSA-N 356.426 2.730 0 50 FFAA O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1C/C=C/c1ccccc1 91794249 VDSJVSHKQMXLAX-QPJJXVBHSA-N 350.466 2.938 0 50 FFAA O=C(C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1)c1ccccc1 91536706 UGUCGAIYULMTCJ-UHFFFAOYSA-N 354.450 2.511 0 50 FFAA O=C(c1scc2c1OCCO2)N1CC[C@H](Cc2cccc(CO)c2)C1 91707085 VQNBRVNFBGBYKY-CQSZACIVSA-N 359.447 2.716 0 50 FFAA Cc1c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)[nH]c2ccc(F)cc12 97813832 LHMLIAHSSDXWSH-SFHVURJKSA-N 365.408 2.799 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3ccnc4ccccc34)C2)n1 426705560 COQKAGVRQPOLCO-AWEZNQCLSA-N 364.405 2.536 0 50 FFAA Cc1cc(NCCCN2CCCC[C@@H]2CO)nc(-c2ccccc2O)n1 91270111 SXPSIRQUEXDYFH-MRXNPFEDSA-N 356.470 2.806 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)C2 92028200 USWASZUDFJDJAV-HNNXBMFYSA-N 367.449 2.540 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCCN2C(=O)C2CC2)CC1 230489486 OKRDDFPVFQFRIU-HXUWFJFHSA-N 369.509 2.825 0 50 FFAA O=C1CC[C@@H](CNC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 91942959 NICOFCAIFCKYAM-NSHDSACASA-N 369.368 2.837 0 50 FFAA COc1cc(C)c(CN2CCn3nc(CNC(C)=O)cc3C2)cc1C(C)C 91636229 KUZYQHORZIRVHG-UHFFFAOYSA-N 370.497 2.975 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCC(Cc2cccc(F)c2)CC1 181973377 PQNYKSHEFDATQZ-QGZVFWFLSA-N 373.472 2.801 0 50 FFAA Cc1ccnc(SCC(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 244853027 VDZAVGKEYNCKEH-SFHVURJKSA-N 371.506 2.719 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 299749483 KMOPJIKNQUWDKJ-YOEHRIQHSA-N 372.446 2.624 0 50 FFAA COc1ccc(-c2n[nH]c(C)c2CC(=O)N[C@H](CO)c2ccccc2)cc1 252500754 TVAKQNADXZNOEX-LJQANCHMSA-N 365.433 2.786 0 50 FFAA Cc1nc(O)cc([C@H]2C[C@H](NC(=O)c3c(O)nc(C)c(Cl)c3C)C2)n1 253535428 YCTIQRQEEBXXGS-XYPYZODXSA-N 362.817 2.537 0 50 FFAA CCN1CCC(CNC(=O)Nc2ccc3cccnc3c2)(N(C)C)CC1 299791093 DRAFELJEASRGMX-UHFFFAOYSA-N 355.486 2.772 0 50 FFAA CN(C)c1cccc(-c2cccc(C(=O)N3CCC[C@H](C(N)=O)C3)c2)c1 299774734 IWOAGNBIJBFCMN-SFHVURJKSA-N 351.450 2.757 0 50 FFAA CN(C[C@@H](O)c1ccccc1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 299763486 WIEOLASOSJQNDP-RTBURBONSA-N 356.397 2.705 0 50 FFAA CCOc1cccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1 299790183 BKFCNQAQRUPJPE-UHFFFAOYSA-N 368.481 2.714 0 50 FFAA Cc1nn(C)c(NC(=O)NCCc2nncn2C(C)C)c1-c1ccccc1 299777049 HZIRCIKSLAYMRY-UHFFFAOYSA-N 367.457 2.932 0 50 FFAA CC(C)c1cc(NC2CCN(S(=O)(=O)c3ccccc3)CC2)ncn1 656221940 XWONCFULBUXZLF-UHFFFAOYSA-N 360.483 2.865 0 50 FFAA COc1cc(C)c(-c2cccc(C(=O)N3CCCC[C@H]3CC(N)=O)c2)cn1 584885097 NLSMKBDTNDRFGJ-KRWDZBQOSA-N 367.449 2.936 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NCCN2CCCC[C@@H]2CO)cc1 670449222 FITRCVWSAMJDJN-LJQANCHMSA-N 368.477 2.939 0 50 FFAA Cn1cc(C(=O)O)c([C@H]2CCCN(Cc3cnc(Cl)c(F)c3)C2)n1 1875283104 GFSOWBDGGQEMJT-NSHDSACASA-N 352.797 2.685 0 50 FFAA COCC1(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2CC(C)(C(C)(C)C)C2)CC1 1875332905 QDYOTRQAMCPPMI-NUDHSDCWSA-N 362.514 2.591 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cc1 1875399871 LEZKKDVXFHEPPH-KFKAGJAMSA-N 351.454 2.511 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1 952977251 SZFCMVGPIPZKOJ-LJQANCHMSA-N 366.461 2.906 0 50 FFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cnc(-c3ccccc3)nc2)C1 886034128 SIIMUDFWOIQYQV-KBPBESRZSA-N 350.344 2.638 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1C 886087880 CQRXSLURQSZUSU-QAPCUYQASA-N 358.442 2.556 0 50 FFAA CCOc1cccc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c1 886048344 WRTDNTJFGZZMMS-QFBILLFUSA-N 356.470 2.632 0 50 FFAA CCn1cc([C@@H]2OCC[C@H]2CN2CCN(C(=O)c3cccs3)CC2)cn1 888102283 JJMZUICTKUUQCB-MAUKXSAKSA-N 374.510 2.500 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c1 888102484 WRVJLUPYLSLZCD-JOYOIKCWSA-N 356.797 2.691 0 50 FFAA COc1cc(C)sc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565510504 UAWXWVPGSZRBIA-HOCLYGCPSA-N 362.451 2.564 0 50 FFAA COc1cccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)c1 59181601 YAUMOGALQJYOJQ-QGZVFWFLSA-N 371.414 2.851 0 50 FFAA in-vitro CCc1nn(C)c2[nH]nc(NC(=O)[C@@H](C)Cc3ccc(OC)c(F)c3)c12 186415677 UVNJUFHPGBVLCN-JTQLQIEISA-N 359.405 2.824 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1C[C@@H]1c1c(F)cccc1F 170644396 AYRQSAUJJWLZRS-QWRGUYRKSA-N 364.421 2.642 0 50 FFAA O=C(NCc1cc(OCC(F)F)ccn1)c1cnc([C@@H]2CCCO2)s1 1325007250 SEOGGTJINVQRPC-LBPRGKRZSA-N 369.393 2.964 0 50 FFAA Cc1c(C(=O)N[C@@H]2CCOC2)sc2ncnc(NCc3ccco3)c12 12021953 FDHVRADLIBWUBH-LLVKDONJSA-N 358.423 2.724 0 50 FFAA CN1N=C(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)CCC1=O 12056357 URPFPARMTJTZMJ-ZDUSSCGKSA-N 363.408 2.744 0 50 FFAA Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H]1CCS(=O)(=O)C1 12407508 RPCBLXGITTUCFZ-JTQLQIEISA-N 370.883 2.689 0 50 FFAA CCc1nccn1CCC(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12434253 JOLSXSSEUIONDA-UHFFFAOYSA-N 367.428 2.950 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)C1(c2ccccc2)CCN(C)CC1 1857671447 XOELWXSLYCMMPO-ZVDOUQERSA-N 356.510 2.802 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Cc3cccc4ccccc34)C[C@]23CC[C@H]1O3 1857701633 SAPOKOQNKUDRCU-ZZLPTCMGSA-N 364.489 2.950 0 50 FFAA O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857709329 RJPMXFSINJTRMU-CQSZACIVSA-N 370.478 2.541 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2nc3ccccc3n2CC)C[C@H]1N 1857733744 WXIGQWJENFBOKM-HDMKZQKVSA-N 358.486 2.595 0 50 FFAA COc1cc(C)c(CN(C)C(=O)c2n[nH]c3ccccc3c2=O)cc1OC 111541087 GAJUPIJRAUYCHP-UHFFFAOYSA-N 367.405 2.521 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2csc(C(C)C)n2)CC(=O)N1C 328621208 HOHGDEKHSNYTLU-RHSMWYFYSA-N 361.515 2.678 0 50 FFAA Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1nncn1C 253420076 SHKHEJLVIIHBPB-LLVKDONJSA-N 366.263 2.518 0 50 FFAA Nc1ccnc(CSc2nnc(NCCc3cccs3)s2)n1 162785733 UDCBQABUZPIRNZ-UHFFFAOYSA-N 350.498 2.919 0 50 FFAA COc1ccc([C@H](CCO)NC[C@H](O)COc2ccc3cc[nH]c3c2)cc1 930187835 HNVYAAUGJVOKGM-PXNSSMCTSA-N 370.449 2.630 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 1078500 LORXIWGWTUVMEJ-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA NCCCC(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100545448 VRYBSFMNGDOYQI-NRFANRHFSA-N 367.493 2.690 0 50 FFAA CC(C)(O)c1ncc(-c2cc([N+](=O)[O-])c(N)c([C@H]3CCCO3)c2F)cn1 142852538 ITDGFNLFDFXLOL-GFCCVEGCSA-N 362.361 2.852 0 50 FFAA CC(C)(O)c1ncc(-c2cc([N+](=O)[O-])c(N)c([C@@H]3CCCO3)c2F)cn1 142852355 ITDGFNLFDFXLOL-LBPRGKRZSA-N 362.361 2.852 0 50 FFAA COc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1 738176 JLYGFBPPUDVPTG-UHFFFAOYSA-N 363.211 2.826 0 50 FFAA CN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(O)c3)N2C1=S 754287 REVIXRQYULSBLA-AEFFLSMTSA-N 363.442 2.947 0 50 FFAA COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 824476 ULJWNHZITNWYAX-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1 846605 UHSKSBWQSHLITK-GOSISDBHSA-N 372.446 2.539 0 50 FFAA Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(N)(=O)=O 855872 LXWPULOZYZRWDT-UHFFFAOYSA-N 354.225 2.636 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 952961 AJHUCLCRIWTQMB-QGZVFWFLSA-N 361.463 2.958 0 50 FFAA NC(=O)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 1056889 IMTASNNKFYALFH-UHFFFAOYSA-N 374.443 2.752 0 50 FFAA COc1ccc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1 2108817 KXRRKYGMAAQGAG-HOCLYGCPSA-N 353.422 2.989 0 50 FFAA biogenic O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccccn2)CC1 3304701 MUYPKNXPGWHXCC-UHFFFAOYSA-N 365.355 2.828 0 50 FFAA COc1ccccc1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3462751 QUKWHCGVEPIWOL-UHFFFAOYSA-N 351.406 2.674 0 50 FFAA Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1O 4736028 AJUBWMKHEJQNQQ-UHFFFAOYSA-N 354.435 2.842 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c(C)c1 4835015 KJQNWPLKLWASBK-KRWDZBQOSA-N 364.511 2.635 0 50 FFAA Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)cc1F 4945699 MOZUORHEPIXIEI-UHFFFAOYSA-N 365.411 2.869 0 50 FFAA COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 8246488 IDBGZLVRYAYUHE-UHFFFAOYSA-N 356.378 2.557 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 108694501 SOZJOVMPWLRKSZ-MRXNPFEDSA-N 352.438 2.661 0 50 FFAA O=c1c2c3c(sc2ncn1CCOc1ccccc1Cl)CNCC3 65468907 XCMTZZJREPTOFU-UHFFFAOYSA-N 361.854 2.836 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCC(n3cc(CC(C)C)nn3)CC2)cc1 20600930 RRLUMOGFZQEVCP-UHFFFAOYSA-N 369.469 2.912 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)CSc1nc3ccc(C)cc3[nH]1)C2 67955028 QGYGXRXNAQHQEH-UHFFFAOYSA-N 353.451 2.858 0 50 FFAA Cc1cc(C)nc(N2CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)n1 65426537 VVRBQCSZPUWTHO-HNNXBMFYSA-N 372.494 2.969 0 50 FFAA COC(=O)Nc1ccccc1C(=O)NC[C@](C)(CO)Cc1ccccc1 252498308 QXYRBVIECAHKDZ-HXUWFJFHSA-N 356.422 2.836 0 50 FFAA CCn1ncnc1NC(=O)c1cccc(CN(C)[C@H](C)c2ccon2)c1 65507246 QAWORTLTRTWQQB-CYBMUJFWSA-N 354.414 2.731 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC[C@@H]2c2cnn(C)c2)n1 328624839 CQQWTPNZHYXAGN-SCTDSRPQSA-N 370.501 3.167 0 50 FFAA CN(C[C@H]1CCc2nccn2C1)S(=O)(=O)c1cccc(Cl)c1F 328626928 MEYZJEDWXXHXID-LLVKDONJSA-N 357.838 2.559 0 50 FFAA COCCN1C(=O)C[C@@H](CN[C@@H]2CCC[C@@H](C3CC3)C2)[C@@H]1c1cnn(C)c1 328631022 QLTYQAOPQCEZPT-SHJAMOMRSA-N 374.529 2.515 0 50 FFAA O=S(=O)(C[C@H]1CCCO1)Nc1ccc2nc(N3CCCC3)sc2c1 172365078 LFKXHIHDOKFZLT-CYBMUJFWSA-N 367.496 2.817 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1nnc(C(C)(C)C)s1 331016773 ZQFMQLUYFRBPLX-LBPRGKRZSA-N 366.531 2.879 0 50 FFAA O=C(c1ccccc1[C@H]1CCNC1)N1CCC(Nc2ccccn2)CC1 72154806 YFDSBPMSUCZWRP-INIZCTEOSA-N 350.466 2.875 0 50 FFAA COc1ccccc1OC1CCN(C(=O)CCc2csc(N)n2)CC1 72410983 YZVCFACSNVVXQV-UHFFFAOYSA-N 361.467 2.737 0 50 FFAA c1cnn(CCC2CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)c1 215534564 KFKUNHPFZRJFON-LJQANCHMSA-N 370.501 2.566 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cn1 152068829 OSTWVWUINOEZHS-SJLPKXTDSA-N 370.501 2.917 0 50 FFAA CCNC(=O)c1ccc(CNC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1 363689831 ORUQSJBLYNDVLH-SFHVURJKSA-N 366.465 2.606 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)c1c(F)cccc1Cl 72115451 QKNUPIJAHURISJ-UHFFFAOYSA-N 363.824 2.711 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3ncccc3O)C2)cc(N2CCCC2)n1 72433185 PZBLATBZDWNIAE-HNNXBMFYSA-N 367.453 2.506 0 50 FFAA COc1ccccc1CN1C[C@H](c2nn3c(C(C)C)nnc3s2)CC1=O 71761120 OGTCISVKKGYZQO-CYBMUJFWSA-N 371.466 2.834 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCC[C@H](c2nc(CCOC)no2)C1 72145843 STEITHGJKZZDEG-LBPRGKRZSA-N 367.881 2.587 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nnn[nH]3)[C@H](C)C2)cc1 77440750 GWQBKJTYZQFFIV-OAHLLOKOSA-N 362.437 2.526 0 50 FFAA C[C@@H](CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O)c1ccccc1 72454471 MIOGEHFGLJZKNI-HNNXBMFYSA-N 368.437 2.640 0 50 FFAA CN1C(=O)C[C@H](C(=O)NCc2csc(N3CCCC3)n2)c2ccccc21 216276403 GVLBTGBHECLFJS-HNNXBMFYSA-N 370.478 2.510 0 50 FFAA Cc1nscc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 262605425 AHPKQPMVSRPSEJ-UHFFFAOYSA-N 373.434 2.641 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCn2nc(CCC(=O)O)cc2C1)c1cccs1 72469292 WBRZHQNKSJFJQG-LJQANCHMSA-N 373.478 2.672 0 50 FFAA COCCc1noc(-c2cn(Cc3ccccc3C(F)(F)F)nn2)n1 72152286 AWOLYBXHUFGRMG-UHFFFAOYSA-N 353.304 2.584 0 50 FFAA Cc1sc(NC(=O)CCC(=O)O)c(C(N)=O)c1-c1ccc(F)cc1 17072670 WBDZSSUKTYRHLN-UHFFFAOYSA-N 350.371 2.765 0 50 FFAA CCc1c(C)sc(NC(=S)N(C)Cc2cnn(C)c2)c1C(=O)OC 17075324 UERPEIJDXRGROH-UHFFFAOYSA-N 366.512 2.968 0 50 FFAA Nc1nnc(CCCNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)s1 223947048 GRKKJSHEACMMBA-CYBMUJFWSA-N 355.467 2.771 0 50 FFAA O=C(NCCN1CCCOC1=O)N1CCC(c2nc3ccccc3o2)CC1 426567150 UWHFZLFQCVLLLF-UHFFFAOYSA-N 372.425 2.559 0 50 FFAA Cc1cc(C(F)(F)F)nc2[nH]nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c12 18180438 TXQOZJQWANQFQD-DTORHVGOSA-N 352.316 2.965 0 50 FFAA CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCc2cnccc21 176738119 FAJOQTBYNMLLHD-UHFFFAOYSA-N 355.822 2.613 0 50 FFAA Cc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)c(=O)oc2ccccc12 176800410 PNDWZVMQZWSUDY-UHFFFAOYSA-N 365.389 2.585 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 82100138 KEYAZRZIDUUYQK-LBPRGKRZSA-N 351.809 2.998 0 50 FFAA O=C1C(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 20045227 URYLOPIFKHCJQK-UHFFFAOYSA-N 369.852 2.645 0 50 FFAA CCCCc1cn(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nn1 48460355 BJNRXKKDEASILL-UHFFFAOYSA-N 370.453 2.869 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)Cc1ccccc1OCc1ccccc1 223531472 NPNKNVLZXIEFRU-UYAOXDASSA-N 355.434 2.728 0 50 FFAA COc1cc(CNC(=O)c2cnc(CN3CCCC3)s2)cc(OC)c1 97744959 POGJDWXAWQNHHS-UHFFFAOYSA-N 361.467 2.686 0 50 FFAA COc1ccc(CN(C)C(=O)CCc2csc(N)n2)c2cccnc12 97756358 AIVSWZLRYZLWJI-UHFFFAOYSA-N 356.451 2.873 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CSc1nnc([C@H]2CCCNC2)n1C 426726878 MLRFEZZIGOJASU-JTQLQIEISA-N 372.420 2.692 0 50 FFAA CC[C@@H](C)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)c(Cl)c1 230216050 YWXMVTHNXMXTOM-YGRLFVJLSA-N 351.834 2.876 0 50 FFAA N[C@H]1CCN(C(=O)CCc2nc3cc(Br)ccc3s2)C1 238058974 SGDHVXOTPJZPJW-JTQLQIEISA-N 354.273 2.551 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N(C)C3CCSCC3)CC2)c1 95369870 FWDGCUVZUWADLQ-UHFFFAOYSA-N 361.555 2.861 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Cl)cc1 239038649 DPLNQFIZXCWJQZ-ZCVDQKGDSA-N 370.836 2.704 0 50 FFAA Cc1ocnc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91691535 KEELQBGMOMLQOI-MAUKXSAKSA-N 351.450 2.687 0 50 FFAA CCc1ccc(CN2C[C@@H](c3nc(-c4ccc(C)nn4)no3)CC2=O)cc1 91474934 YCSGAVQPTQUFOZ-INIZCTEOSA-N 363.421 2.914 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1cnn2cccnc12 91563292 LDSJZBILQMQVQE-INIZCTEOSA-N 362.437 2.909 0 50 FFAA COc1cccc(-c2cc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)[nH]n2)c1 91943610 LVEQSINIGBWTMR-UHFFFAOYSA-N 365.437 2.959 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2cccc([C@@H]3CCNC3)c2)CC1=O 92077842 MEJJUYOJVDYZFO-LJQANCHMSA-N 363.461 2.561 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(-n2cncn2)cc1 95496666 VQWMSJPHBNXQNP-UHFFFAOYSA-N 353.430 2.952 0 50 FFAA C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC[C@@]1(O)C1CCOCC1 92098177 HLLFTEZFRQQFBH-KUHUBIRLSA-N 351.874 2.909 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)CN(C)C)c2)cn1 96132931 SIGMZFOBCBXOHE-CQSZACIVSA-N 355.442 2.773 0 50 FFAA COCCN1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3)cs2)C1 97578844 CMCWFSBNPTVZFH-MRXNPFEDSA-N 359.495 2.785 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2O)n[nH]1 91643908 SBPMYBVXVPLQMM-QGZVFWFLSA-N 352.394 2.637 0 50 FFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 95379216 KDLFPVWUCSQZLU-IBGZPJMESA-N 363.461 2.631 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC[C@H](c3nccn3CCCN(C)C)C2)n1 95517450 HWKYHKZZZWYBDO-INIZCTEOSA-N 371.485 2.620 0 50 FFAA O=C(CN[C@@H]1CCCOc2c(Br)cccc21)NCC1CC1 181291506 YWJASKIEIVBMID-CQSZACIVSA-N 353.260 2.779 0 50 FFAA CCc1cc(N2CCN(CCC(=O)Nc3ccccc3Cl)CC2)ncn1 252494868 OGXFZFVTSGRKPO-UHFFFAOYSA-N 373.888 2.843 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 299743123 LYDLREABJYIISG-KWCYVHTRSA-N 352.228 2.876 0 50 FFAA Cc1n[nH]c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1Cl 299801720 YKRZYXKYRXWLLB-UHFFFAOYSA-N 360.845 2.928 0 50 FFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc(-n2cccn2)ccc1C 823086818 MBXRKUXHDVJLEY-QGZVFWFLSA-N 363.483 2.760 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(c2cccc(-n4ccnc4C)n2)C3)o1 952849538 MLCSRDGIQAYLHU-KXBFYZLASA-N 350.426 2.825 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)C(F)(F)C3CCOCC3)[C@H]2C)o1 952852836 XRLQKFRQVQHAQN-AAEUAGOBSA-N 357.401 2.788 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NCc3cn(-c4ccccc4C)nn3)C2)o1 952890261 RCZVUAIGXXTELL-CVEARBPZSA-N 352.442 2.768 0 50 FFAA CCCn1cccc1C(=O)N1CCC2(CC1)C[C@@H](O)c1nn(CC)cc1O2 1875394508 KQKGXDRLJDPOPT-MRXNPFEDSA-N 372.469 2.605 0 50 FFAA Cc1cc(C(=O)Nc2cccnc2OC(F)F)n(C2CCOCC2)n1 1875303442 XULYLSUHXXFKOF-UHFFFAOYSA-N 352.341 2.792 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](OCc3ccccn3)C2)s1 952982080 OUHIFRLQAXNESO-HNNXBMFYSA-N 352.481 2.821 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1Cl 952868338 KSQLFPPNVBUMPP-UHFFFAOYSA-N 353.850 2.739 0 50 FFAA CNC(=O)c1cccc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)c1C 952983130 UYHCRPXQLILDPE-UHFFFAOYSA-N 374.824 2.960 0 50 FFAA CO[C@H](C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1)c1ccccc1 952983482 FSQFCWVNAVPKAI-IBGZPJMESA-N 355.438 2.821 0 50 FFAA COc1cccc([C@H]2CCN(S(=O)(=O)c3cnc(O)s3)C2(C)C)c1 882625577 CYVFXFBCIIVWJK-CYBMUJFWSA-N 368.480 2.814 0 50 FFAA COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2N2CC[C@H](OC)C2)ccc1F 886094055 PJIYWCDVXSVUND-UAGQMJEPSA-N 350.434 2.548 0 50 FFAA O[C@H]1CN(Cc2nc3ccccc3[nH]2)CC[C@@H]1c1ccc2c(c1)OCO2 1565516893 GIQSULQTDBSXEF-PBHICJAKSA-N 351.406 2.642 0 50 FFAA CC(C)c1ccc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c(O)n1 1073318925 DASXYPZWZFJGJU-CVEARBPZSA-N 372.396 2.990 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1CCN(Cc2ccccc2)CC1 194381960 AKJNKZSKYQUGMW-INIZCTEOSA-N 359.514 2.566 0 50 FFAA Cc1noc([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)n1 1506400883 CTKIREPMNYJBAN-SNVBAGLBSA-N 366.399 2.625 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1nccc(N2CCC[C@@H](O)C2)n1 1529105737 HHVQIDPIEPKYOZ-MRXNPFEDSA-N 355.417 2.695 0 50 FFAA COc1cc(Cl)cc(CN2CCCN(C(=O)C3CC3)CC2)c1OC 1529103613 FAUXNMPZVSZTOT-UHFFFAOYSA-N 352.862 2.802 0 50 FFAA COc1cc(-c2onc(NC[C@@]3(C)CCN(C)C3)c2C(=O)O)ccc1F 1704337656 XPFVOMXFDBCUTJ-GOSISDBHSA-N 363.389 2.941 0 50 FFAA Cc1c[nH]c(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)c(C)c1=O 1704300217 WMXITZWXHXQFIE-DYESRHJHSA-N 363.461 2.575 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]2CC1=O 1704304302 MCJXCZWDNFCFMQ-OWCLPIDISA-N 358.486 2.786 0 50 FFAA Cc1ccnc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)n1 215175855 TXUYPLSRDNEYNB-MOPGFXCFSA-N 350.466 2.845 0 50 FFAA Cc1ccc2oc(N3CC[C@H]4[C@H](CCC(=O)N4CCCCO)C3)nc2c1 215318447 RQUFQZGDIKQROJ-WBVHZDCISA-N 357.454 2.726 0 50 FFAA Cc1ccccc1[C@H]1CN(Cc2cccc(OCCO)c2)C[C@@H]1C(=O)O 219477994 VKKBHCKCBOZYJL-UXHICEINSA-N 355.434 2.666 0 50 FFAA CN1C[C@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCC1=O 1772810695 OJIQCRWVLIWBGF-CQSZACIVSA-N 370.415 2.857 0 50 FFAA OC1(c2cccc(C(F)(F)F)c2)CCN(CC[C@@H]2COCCO2)CC1 1775980806 BDKKMRWASSTVNB-MRXNPFEDSA-N 359.388 2.794 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)CCc3scnc3C)CCO2)cc1 12299645 XETNGQNVBXLJRQ-QGZVFWFLSA-N 360.479 2.863 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)CCc1nnc(COc2ccccc2)o1 12301099 YYGNNCKOTLCBAK-KRWDZBQOSA-N 373.453 2.999 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cn(CCC3CCCCC3)nn2)n1 12432123 YLSOUSYSSCHHTO-OAHLLOKOSA-N 358.490 2.880 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccc(C)o1)C2 14733615 SZXIFSUHZJWGNR-HNNXBMFYSA-N 356.470 2.688 0 50 FFAA O=C(CN1CCN(Cc2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 19899454 FXXUORSRWFSSNK-OAQYLSRUSA-N 362.477 2.764 0 50 FFAA CC(C)Cc1nc(-c2cc3n(n2)CCN(C)C3=O)n(-c2cccc(F)c2)n1 1857667000 FPCNOKLXAHXEEA-UHFFFAOYSA-N 368.416 2.554 0 50 FFAA Cc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2ccncc2)C1 1857694068 ZDVCXQPUHWYBOB-IAGOWNOFSA-N 354.454 2.508 0 50 FFAA O=C(CC1CCCC1)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857698588 ZEBGWDVDUUWCFX-OALUTQOASA-N 356.466 2.595 0 50 FFAA Cc1cc(C(=O)N2CCC(C3CCN(c4cnccn4)CC3)CC2)no1 1857723975 GAKZIAAKYCNBNY-UHFFFAOYSA-N 355.442 2.542 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857727036 IUKDBBOQTBZYRO-IKGGRYGDSA-N 370.449 2.758 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C(=O)CC3CCCC3)C[C@]23CC[C@H]1O3)c1ccoc1 1857734487 TYZBQPDPDOUMRF-XKGFGPFHSA-N 372.465 2.596 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C(=O)c2ccc[nH]2)CC1 1857735342 DKAPTWHVKPLTPY-UHFFFAOYSA-N 354.454 2.928 0 50 FFAA CCOC(=O)c1cnc2ccc(Br)cc2c1NCCCO 5958556 VBIRLOQFUVIMHV-UHFFFAOYSA-N 353.216 2.968 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3CCC(c4ccnn4C)CC3)c2c1 124232292 AOUNOBYFNNDKHK-UHFFFAOYSA-N 352.438 2.859 0 50 FFAA O=C(c1cnn2cccnc12)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 475858462 SSMCZRCQWVDBRD-OAHLLOKOSA-N 360.776 2.736 0 50 FFAA O=S(=O)(c1cccnc1C(F)(F)F)N1CCOC[C@H]1c1ccccc1 376392732 WPQYCSTVVLPQIH-ZDUSSCGKSA-N 372.368 2.863 0 50 FFAA CN1CCC[C@@H]1c1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)n[nH]1 908335755 UFWNQHBRBQDFQU-MOPGFXCFSA-N 352.438 2.723 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=S)Nc2cc(OC)cc(OC)c2)C1 1122560 ZPJUILHBZKAFKF-GFCCVEGCSA-N 352.456 2.676 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1OC 2959756 IRDOYOPBYPTIMI-UHFFFAOYSA-N 356.422 2.618 0 50 FFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 4113672 KRKODTDPSKONGC-SJLPKXTDSA-N 374.437 2.826 0 50 FFAA biogenic CN(C)c1cc(C(F)(F)F)nc(NC[C@@]2(O)CCc3ccccc32)n1 133746194 ONVZTUPVMIFWKC-INIZCTEOSA-N 352.360 2.807 0 50 FFAA COCCn1cncc1CNC(=O)C1(Nc2ccc(C)cc2)CCCC1 55341572 JXMDOUSBCIUFAG-UHFFFAOYSA-N 356.470 2.879 0 50 FFAA Cc1cc(I)cc(I)c1N 22001285 XVXCBRYCMVVHRA-UHFFFAOYSA-N 358.948 2.786 0 50 FFAA Cc1nnc(CN(C)C2CCN(c3ccc(-n4ccnc4C)cc3)CC2)o1 23399056 WUQOLLAQTBTBDV-UHFFFAOYSA-N 366.469 2.973 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccccc3OC)cnn2c1 67673847 MJCBIVHOFCLZBZ-UHFFFAOYSA-N 353.426 2.832 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)O 27639673 ROUDCKODIMKLNO-HZPOSRMLSA-N 368.470 2.654 0 50 FFAA in-vitro COCc1cc(=O)[nH]c(-c2cccc(CN(C)CCC[C@@H]3CCCO3)c2)n1 23581609 MDIZBQXUXVGBAR-LJQANCHMSA-N 371.481 2.974 0 50 FFAA CCNC(=O)c1ccc(NC(=O)c2cnn3cc(C)cnc23)cc1Cl 1506412730 MXYXMZJUZVZFJM-UHFFFAOYSA-N 357.801 2.693 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)c1 65363194 ZHWCXVJNRGYQEU-UHFFFAOYSA-N 372.490 2.904 0 50 FFAA C[C@@H](C(=O)N(C)Cc1ccc(Cl)nc1)c1n[nH]c(=O)c2ccccc12 67490893 UWIXMPHOAYCQEU-LLVKDONJSA-N 356.813 2.734 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc1 126430599 AGEGEORGUFFEPS-ZWKOTPCHSA-N 371.481 2.999 0 50 FFAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)Cc1cc(Cl)ccc1F 328644373 ZFDXYAYCHFRMFO-LBPRGKRZSA-N 371.865 2.700 0 50 FFAA COc1cccc([C@]2(CN3CCN(c4ccnc(C)c4)CC3)CCOC2)c1 215050408 URRKKMHJUFSFIR-QFIPXVFZSA-N 367.493 2.879 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)[nH]1 72432528 MKKLQDIZXQGGMC-UHFFFAOYSA-N 367.493 2.772 0 50 FFAA Nc1nc(O)c(CCC[C@@H](C(=O)O)c2cccc3ccccc23)c(O)n1 39438677 OAAWMZINEDCHGN-CQSZACIVSA-N 353.378 2.814 0 50 FFAA O=C(Cc1ccc2c(c1)OCCO2)N1CCC(Oc2ncccc2F)CC1 329897085 LDGZKHIJLVNOOB-UHFFFAOYSA-N 372.396 2.604 0 50 FFAA Cc1cc(NC(=O)N2CCN(C3CCOCC3)CC2)c2ncccc2c1 123307989 KTPZIAZEZJOIHI-UHFFFAOYSA-N 354.454 2.872 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 215042939 CEHRCXTYQFGUFX-QGZVFWFLSA-N 370.501 2.525 0 50 FFAA Cc1nc(C(C)C)sc1CNC(=O)[C@@H](Cc1ccccc1)n1cnnn1 219336586 AZMHAHBTTBHXGH-OAHLLOKOSA-N 370.482 2.662 0 50 FFAA O=C(O)[C@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccccc1F 72410055 WHGQKOIXFZFOEK-QGZVFWFLSA-N 360.429 2.503 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)CCc2ccc3c(c2)OCO3)C1 219227075 HFVAAPFIKFPTCT-NRFANRHFSA-N 353.418 2.776 0 50 FFAA Cn1cc(CNc2cc([C@H]3CCCOC3)nn2C)c(-c2ccncc2)n1 366764503 WCMNGYBAIDZBSO-HNNXBMFYSA-N 352.442 2.722 0 50 FFAA CCOC(=O)N1CCC(N2CCC(CO)(C[C@@H]3CCCCO3)CC2)CC1 14948499 OKBNLNAPQUMRNH-SFHVURJKSA-N 368.518 2.641 0 50 FFAA O=C1OC2(CCN(Cc3cn(-c4ccccc4)nn3)CC2)c2ccccc21 72148005 MOABBVMMWTVXOW-UHFFFAOYSA-N 360.417 2.929 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cn1 491457771 VHDCJXRJAKJBSH-LLVKDONJSA-N 355.364 2.675 0 50 FFAA O=C(CCC1CCCC1)N1CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)CC1 237939907 HIPAKKCPXBUVEO-YQQQUEKLSA-N 361.530 2.548 0 50 FFAA COc1cc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)ccc1O 39500518 VGYUPMHYHHNVNC-LJQANCHMSA-N 362.514 2.850 0 50 FFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)c2noc3c2CCCC3)c1 262248293 BWWMMEOPMBGTLT-UHFFFAOYSA-N 366.377 2.998 0 50 FFAA CN(CCO)c1ccc(C(=O)N2CC(Oc3cccc(Cl)c3)C2)cc1 215292055 UQRRZHJKIOTOQU-UHFFFAOYSA-N 360.841 2.672 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCC(CCn2cccn2)CC1 72156592 IUXQVWCOGTUPRO-GOSISDBHSA-N 352.482 2.903 0 50 FFAA Cc1nccn1CCCC(=O)N1CCC[C@@]2(C1)C(=O)N(C)c1ccccc12 72162001 MHYFOAGDXXTUIW-NRFANRHFSA-N 366.465 2.509 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 72427261 SLQZDPKHFIVHJI-UHFFFAOYSA-N 369.494 2.918 0 50 FFAA O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H]2CCCC[C@H]2N1 241515528 OFZWPWRJAKSZJR-YUTCNCBUSA-N 357.376 2.516 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](C)CCn3cccn3)c12 72467790 BHGCKVPXNCFANQ-ZDUSSCGKSA-N 362.441 2.821 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)CCCn3nc(C)cc3C)C2)CCC1=O 85533960 ZRIZIYHKYYMBPZ-FQEVSTJZSA-N 360.502 2.531 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)n1 220182970 DVZRPWPYTGKDHM-WMZOPIPTSA-N 357.429 2.527 0 50 FFAA COCCN1CCC(C(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 82106653 UUMWISBLCRTELQ-UHFFFAOYSA-N 364.461 2.554 0 50 FFAA Cc1nc(CC(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cs1 82156851 WEZNLFJCGZMXIF-UHFFFAOYSA-N 373.526 2.655 0 50 FFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCc4occc4C3)cc2C[C@@H]1C 288301403 DFKBUJDUFJRMMH-ZDUSSCGKSA-N 374.462 2.714 0 50 FFAA Cc1nnc(SCCNC(=O)[C@@H](C)Oc2ccc(F)cc2F)s1 223279887 DXXZMCHMDZAUID-MRVPVSSYSA-N 359.423 2.801 0 50 FFAA CC[C@H](CNC(=O)N1CCC(N(C)C(C)=O)CC1)Oc1ccccc1C 176902051 KGEVKGPOHSBPIM-GOSISDBHSA-N 361.486 2.805 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCCc1cn[nH]c1 82137060 IWEDLAVVEKEUPK-CYBMUJFWSA-N 360.845 2.650 0 50 FFAA Cc1nc(NC2CCN(Cc3cccnc3)CC2)cc([C@H]2CCOC2)n1 426358129 ANZNFWOELSHAEA-KRWDZBQOSA-N 353.470 2.760 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1c(C)nc(=O)[nH]c1C 221267652 NKJOIMWGDABWAE-SFHVURJKSA-N 355.438 2.522 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCc3ccc(C)o3)[C@H](C)C2=O)cc1 426431355 QKDCHQBJBQVAFD-OAHLLOKOSA-N 371.437 2.586 0 50 FFAA CC(=O)N1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)CC1 426716883 NCFQZYIAVCKHAL-UHFFFAOYSA-N 366.417 2.777 0 50 FFAA CCc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(C)=O)cc1 239309764 HVLUCVHXAILUOJ-IPJCAIGPSA-N 364.445 2.613 0 50 FFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N1CCN(Cc2cccnc2)CC1 97601044 VEOKXDHSOSIZSS-OAQYLSRUSA-N 364.493 2.507 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1ccccc1-c1ncc[nH]1 97604081 OZSXWLKNKQFLJX-GOSISDBHSA-N 351.406 2.978 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@H]1OCCc2ccccc21 97772811 WPNHXGDMXKKICT-SFHVURJKSA-N 374.462 2.834 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1 96136159 ACQZSNPOJCOSCF-UHFFFAOYSA-N 365.437 2.959 0 50 FFAA CCn1nc(COc2ccc(C(C)(C)C)cc2)nc1[C@H](C)n1cnnn1 96162971 CPTNVOCLAYLVKJ-ZDUSSCGKSA-N 355.446 2.770 0 50 FFAA C[C@H]1CCCN(C(=O)c2ccc(NC(=O)NCCc3c[nH]cn3)cc2)C1 97594914 FFFDYECBVFTTMR-AWEZNQCLSA-N 355.442 2.646 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 299738809 GTMCHRDQGSWUQC-UKRRQHHQSA-N 350.894 2.537 0 50 FFAA Cc1nc2ccccc2nc1CN1CCN(C2CCCC2)[C@H](CCO)C1 39447148 CRVYXDMABLEHEE-GOSISDBHSA-N 354.498 2.749 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C1(Cn2ccnc2)CC1 299781909 GDICXRGWTKXRBX-UHFFFAOYSA-N 367.428 2.921 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCc2cccc(CN3CCCC3)c2)c1C 299770648 UBIUGKPHKQVWDK-UHFFFAOYSA-N 368.481 2.615 0 50 FFAA CC(C)CCn1c(-n2ncnc2CCC(=O)N(C)C)nc2ccccc21 821182070 RMVKMLQRIREDHE-UHFFFAOYSA-N 354.458 2.684 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCN(C)C(=O)[C@H]3C)c2)c2ccccc12 584893591 YIIZLARKQRXIGL-OAHLLOKOSA-N 374.444 2.908 0 50 FFAA CC(C)Oc1ccccc1CCNC(=O)N1CCN(C(=O)C2CCC2)CC1 584903170 NOVVPRLYSPAICR-UHFFFAOYSA-N 373.497 2.670 0 50 FFAA CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@H]1COc2ccccc21 874597580 QWFZTMUSVNGSSD-RDJZCZTQSA-N 352.390 2.646 0 50 FFAA Cc1c(Cl)nc(-c2ccccn2)[nH]c1=NCC12CCC(CN)(CC1)CO2 1875308079 RZNQENNMBHLMAZ-UHFFFAOYSA-N 373.888 2.622 0 50 FFAA CC(=O)Nc1ccc(N(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 1875310784 CDUAANWEHJSVAS-GOSISDBHSA-N 355.369 2.940 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cccc(-n2ccnn2)c1 1875342257 HGCVYFOMCQSPDY-SFHVURJKSA-N 354.435 2.542 0 50 FFAA O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)c1sc(N2CCCC2)nc1Cl 1875323381 GJDPGZLZPHTEGW-ZJUUUORDSA-N 357.863 2.770 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 1875365231 CVLMTQZQXNLPRU-OALUTQOASA-N 374.456 2.929 0 50 FFAA CN1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)CC1 952979407 NYNLXRVSQLMHPL-OAQYLSRUSA-N 365.477 2.652 0 50 FFAA O=C([C@H]1CC[C@H](C2CC2)N1)N1CCC2(CCc3ccccc3C2=O)CC1 888094030 XHFSGXJZGYWTIQ-RTBURBONSA-N 352.478 2.955 0 50 FFAA CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NCCCOC 168023179 IIJQBVCDYIZROP-UHFFFAOYSA-N 361.364 2.712 0 50 FFAA CCc1ncsc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275518995 DSVQJTZPHFKIGM-CQSZACIVSA-N 372.494 2.994 0 50 FFAA CN1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1=O 189809903 CJDGSNHUMUFKGH-UHFFFAOYSA-N 357.479 2.722 0 50 FFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1scnc1C1CC1 190771965 TUKLDJSMSVYWTI-CQSZACIVSA-N 355.419 2.928 0 50 FFAA O=C(c1ccnc(N2CCCN(C(=O)C3CCC3)CC2)c1)N1CCCCC1 1529151240 INFZLIMXBZKQTK-UHFFFAOYSA-N 370.497 2.547 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)CCCCCC2 1529195920 QRKSMPDMAWFKDW-ZDUSSCGKSA-N 355.529 2.998 0 50 FFAA Cc1[nH]nc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1Cl 1704302679 BSDDDSLXHLMZQO-CJNGLKHVSA-N 370.840 2.595 0 50 FFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCO)Cc2[nH]cnc2C)c1 1704325268 GYKJKGDNSIKOBD-MRXNPFEDSA-N 359.470 2.938 0 50 FFAA Cn1cc(Cl)c(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)n1 1616084619 TXLIMCNAIRKVLG-GUYCJALGSA-N 370.840 2.609 0 50 FFAA CN(CC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12)C1CCCC1 1616077867 WRSIOMWQEPCALK-UWJYYQICSA-N 367.493 2.783 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 14292025 GDNNOLVJBXXJGD-UHFFFAOYSA-N 368.433 2.690 0 50 FFAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCC(F)(F)F)CC2 14741390 AETMUURYIUUMAV-ZDUSSCGKSA-N 372.435 2.832 0 50 FFAA COCCN1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2)CCC1=O 15006081 VRRPCQKDNSYBAF-UHFFFAOYSA-N 366.461 2.983 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(C)c4)CC3)nn2)n1 169777454 DQPHOBWBXWYNJL-UHFFFAOYSA-N 366.425 2.676 0 50 FFAA CN1CCn2nc(C(=O)N3CCCCC[C@@H]3c3cccc(F)c3)cc2C1=O 1857670061 NUEUTSLVJYXHMP-QGZVFWFLSA-N 370.428 2.865 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1cnc(-c3ccccc3OC)nc1)C2 1857676454 HNIMSXHZNCIKFY-FQEVSTJZSA-N 368.437 2.569 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(CCCCOCc3ccccc3)C[C@]23CC[C@H]1O3 1857713778 NMTXIKZCFZKTPK-DXBBTUNJSA-N 372.509 2.599 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc4c[nH]nc4n3)CC2)O1 1857719147 FMGBWAYKJOOIAW-GDBMZVCRSA-N 372.469 2.519 0 50 FFAA COc1cc(C)c(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1C 1857723649 PCZSZQVXKHXAPT-JMJGKCIBSA-N 367.489 2.881 0 50 FFAA COc1cc(C)ccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857727494 UISASQUZPPKIKR-LVCYWYKZSA-N 366.461 2.948 0 50 FFAA O=C(NC1CCOCC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857739997 CWXUKWAVWAHCCY-UHFFFAOYSA-N 363.845 2.993 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)n1 122720242 KWMVQTQGRNTUOG-QWRGUYRKSA-N 369.299 2.609 0 50 FFAA Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 241644733 PSYWQMUCZDZDLH-UHFFFAOYSA-N 355.419 2.916 0 50 FFAA O=C(NCCCn1ccc2ccccc21)[C@@H]1CC(=O)N(c2nccs2)C1 370015841 FWHYTDKIAFLOIH-OAHLLOKOSA-N 368.462 2.657 0 50 FFAA Cc1c(C(=O)N[C@H]2CCc3ncsc3C2)nnn1-c1cccc(Cl)c1 910831027 MRHIWNRXORAOJP-LBPRGKRZSA-N 373.869 2.973 0 50 FFAA CCCCN([C@@H]1CCCC[C@H]1OC)S(=O)(=O)c1ncn(C)c1Cl 832303925 SPSATZCEPDGRBT-CHWSQXEVSA-N 363.911 2.822 0 50 FFAA COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 5558521 FYYKOUUCUDPGTP-UHFFFAOYSA-N 371.422 2.615 0 50 FFAA Oc1nc(-c2ccccc2)nc2c1CCC21CCN([C@@H]2CCOC2)CC1 2100483943 UFIAVWHKPAKQJI-MRXNPFEDSA-N 351.450 2.918 0 50 FFAA Cn1cc(-c2ccoc2C(=O)Nc2ccc(C3CCNCC3)cn2)cn1 2325777860 KKFUYMYCZNNSDD-UHFFFAOYSA-N 351.410 2.794 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCN(c2ccccc2)C1=O 2325822434 XIJCTSFYDHLWOF-GOSISDBHSA-N 363.417 2.805 0 50 FFAA C[C@@H]1CCCc2c(-c3nc(C4CCOCC4)nn3[C@H]3CCOC3)cnn21 2325849419 OZBKMHYAZTYXRH-HIFRSBDPSA-N 357.458 2.894 0 50 FFAA CCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 653161 BVJYOKZQBXPQKT-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CC1(C)[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H]1C=C(Cl)Cl 758749 AIHBXYIYQKPUFF-CMPLNLGQSA-N 363.266 2.864 0 50 FFAA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc3c(c1)OCO3)C(=O)N2 916934 KJACBIFCQKZCDY-HNNXBMFYSA-N 353.378 2.794 0 50 FFAA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1 1221353 UAONXTVGZKXTPJ-ABAIWWIYSA-N 360.435 2.907 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCC1 4840133 CKSFPHOSDREFNP-UHFFFAOYSA-N 359.451 2.793 0 50 FFAA Cc1c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cnn1-c1ccccc1 110953329 UNRZZHXWQDJHFM-LJQANCHMSA-N 368.481 2.508 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(CCN2CCCC2)nc1 55282815 XGFSEICPJAQWRH-UHFFFAOYSA-N 369.513 2.752 0 50 FFAA Cc1cc(C)n(CCCN(C)c2ncnc3sc4c(c23)CCNC4)n1 65376344 SKHIIRMIWCIUKQ-UHFFFAOYSA-N 356.499 2.677 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)c2coc(COc3ccc(F)cc3)n2)[nH]n1 67588866 WNCKEQNDPIGWPN-LLVKDONJSA-N 358.373 2.785 0 50 FFAA Cc1[nH]nc(O)c1CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67790783 ZQXWCVRDGZMAEW-UHFFFAOYSA-N 365.437 2.763 0 50 FFAA O=C([C@@H]1CCCNCC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67725137 SNIRTFKNNHSHDQ-OAHLLOKOSA-N 367.449 2.565 0 50 FFAA CN(Cc1cccc(C(=N)O)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328649811 VDJGOLSGIONDGH-PKOBYXMFSA-N 355.486 2.818 0 50 FFAA Cc1nc2nc(SCc3cnc(C4OCCO4)s3)nn2c(C)c1C 253426241 RETUWUFTTLHMKQ-UHFFFAOYSA-N 363.468 2.844 0 50 FFAA CC(C)(C)c1ccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 121703469 VIVDTDAHHIZDEK-GVAFMPQTSA-N 372.490 2.583 0 50 FFAA Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(N(C)C(=O)c2ccccc2)C3)cnn1 329947477 KCFKBRIBPCZOGK-ROUUACIJSA-N 364.449 2.693 0 50 FFAA O=C(CCc1ccccc1)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 219180137 JGOIGMYNZIGXHR-RTBURBONSA-N 369.417 2.670 0 50 FFAA Cc1nc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c2c(C)noc2n1 77542426 RNRYLNOYJWSIES-GOSISDBHSA-N 363.465 2.914 0 50 FFAA O=C(c1cccc2ccnn12)N1CCC[C@H]1c1nc(-c2ccccn2)no1 72128248 AHSABYFCPZBLLK-HNNXBMFYSA-N 360.377 2.757 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1C 71681880 SWWHRFHKZRXUPM-KRWDZBQOSA-N 360.433 2.671 0 50 FFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cn(-c2ccccc2)nn1 72167953 AIYVFXYZGNPJHI-OAHLLOKOSA-N 365.412 2.663 0 50 FFAA CN(CCc1cnccn1)Cc1c(F)ccc(C2OCCO2)c1Cl 253430464 LMSQYBIUZFPTCS-UHFFFAOYSA-N 351.809 2.989 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3csc(C)n3)C[C@H]2NC(=O)C2CC2)cc1 77439666 XNNWYGWLDVLLCK-DLBZAZTESA-N 369.490 2.894 0 50 FFAA COc1cc(CNCc2ccc3c(c2)CC(C)(C)O3)ccc1OCC(N)=O 237271610 QTCKNWRVFPSYCG-UHFFFAOYSA-N 370.449 2.563 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)Cc2ccccc2O1 487826285 VCEOYFTUGNUJRP-OAHLLOKOSA-N 363.421 2.760 0 50 FFAA O=C1COc2c(cccc2C(=O)Nc2ccn(-c3ncccc3Cl)n2)N1 129819743 ZVBCLBPORURDHT-UHFFFAOYSA-N 369.768 2.504 0 50 FFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)c2occc2C)C1 372187017 PDACKFQIQVKONY-ZBFHGGJFSA-N 352.394 2.975 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCC([C@H](O)C(F)(F)F)CC1 131468485 YEHWAJBRQAUWFN-LBPRGKRZSA-N 360.357 2.892 0 50 FFAA CCN(CCO)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77438474 FNGCVVHEFRVGDM-UHFFFAOYSA-N 358.829 2.743 0 50 FFAA CCn1cc(CNS(=O)(=O)c2ccc(Br)s2)c(C)n1 14249610 OMVUAQCFLRTLJM-UHFFFAOYSA-N 364.290 2.514 0 50 FFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2C=C[C@H]1C2 222438454 HRVUUKZCSCDEOB-UOVPBQLFSA-N 374.868 2.507 0 50 FFAA CCOC(=O)c1cc(O)nc(-c2cccc(I)c2)n1 328578344 IMBSICZHURFHNV-UHFFFAOYSA-N 370.146 2.631 0 50 FFAA CCOC(=O)N1CCC(Nc2cc(C3CC(N)C3)nc(C3CC3)n2)CC1 223888658 PSJFPXZZTKLRJH-UHFFFAOYSA-N 359.474 2.592 0 50 FFAA O=C(c1ccnc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1)N1C[C@@H]2CCC[C@H]2C1 177020926 NNRNEYVOCUIYPF-XLAORIBOSA-N 353.466 2.826 0 50 FFAA COCC[C@H]1COCCN1C(=O)Cc1csc(-c2ccc(C)cc2)n1 291281819 UWCCMQHVDNGPMD-KRWDZBQOSA-N 360.479 2.925 0 50 FFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@@]23C=C[C@H]1O3 226888312 DSFJYNNUZMGTJH-IIMDRIAPSA-N 355.434 2.879 0 50 FFAA CC(C)n1cc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)nn1 290335256 KPTMKIFCXCVSSW-HNNXBMFYSA-N 367.375 2.551 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)N(C)Cc2nncn2C(C)C)cc1 426571858 XDVKNSZZVVDJOZ-UHFFFAOYSA-N 367.457 2.695 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95354661 IDWGXVFZRIBFJZ-INIZCTEOSA-N 368.437 2.569 0 50 FFAA CC[C@H](NC(=O)c1cc2c(nc1OC)CCC2)c1cn2cccnc2n1 91575017 OYORNYQNVWBUCG-AWEZNQCLSA-N 351.410 2.503 0 50 FFAA COc1ccc(F)c(F)c1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91526287 ANHFVOVKBMECNJ-YJYMSZOUSA-N 355.425 2.973 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN([C@H](C(=O)O)c1c(C)noc1C)CC3 95356285 DOBBIVXAKDJMRT-SFHVURJKSA-N 355.394 2.965 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91617039 KPIMAADMVOLPDQ-UONOGXRCSA-N 364.848 2.881 0 50 FFAA CCc1noc(-c2ccc(NC(=O)N[C@@H](COC)c3ccnn3C)cc2)n1 96166243 QPAXNNAPKOJWJQ-AWEZNQCLSA-N 370.413 2.542 0 50 FFAA O=C(NCCCN1CCc2ccccc21)c1cc(-c2ccccc2O)n[nH]1 91950648 XZXJACKQCYVOKX-UHFFFAOYSA-N 362.433 2.965 0 50 FFAA COc1cc(OC)c2c(C)cc(N3CCN(c4ncccn4)CC3)nc2c1 23634615 WSQXNOHFJOEHNR-UHFFFAOYSA-N 365.437 2.677 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CC1 97594891 ZADFXQFUHMOOTB-UHFFFAOYSA-N 350.426 2.708 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCN(CCc2ccccc2)CC1 95388226 RVHQOWGFOSOJED-GOSISDBHSA-N 354.498 2.954 0 50 FFAA CCn1ccnc1CN1CCC2(CC1)CC(=O)N(Cc1c(C)noc1C)C2 95355540 NEGASLCEACBFPR-UHFFFAOYSA-N 371.485 2.523 0 50 FFAA COc1ccccc1CNC(=O)CCN1CCO[C@H](c2ccccc2)C1 244794633 QQTLPYAUPCEWQV-FQEVSTJZSA-N 354.450 2.775 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)CCc1cccnc1)[C@H]1C[C@H](O)C1 244673686 HTUSZMHMBHIBRL-AKCHCHLHSA-N 358.413 2.790 0 50 FFAA CCc1nc(C)c(CNC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)s1 252485181 GOTHCRSDYBCCFA-KRWDZBQOSA-N 373.522 2.921 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N(C)c1ccc(N2CCOCC2)nc1 183943211 OKCJMJGIBZDXAB-AEFFLSMTSA-N 361.486 2.866 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 299749774 LLSFFPFTUUQAQP-HNNXBMFYSA-N 363.316 2.683 0 50 FFAA O=C(NS(=O)(=O)c1csnc1Cl)[C@@H]1C[C@@]12CCc1ccccc12 861396663 ZMCVNOMCAKTQOV-XHDPSFHLSA-N 368.867 2.506 0 50 FFAA COc1ccccc1CCC(=O)N1CCCN(C(=O)c2ccoc2)CC1 56235051 CPEZLQIXOSHHEE-UHFFFAOYSA-N 356.422 2.596 0 50 FFAA CC1CCN(S(=O)(=O)NCc2nc(-c3ccccc3)cs2)CC1 822425762 WAKVFRAGJGOMRL-UHFFFAOYSA-N 351.497 2.876 0 50 FFAA Cc1cccc([C@H](NC(=O)N2CCCN(c3ncccn3)CC2)C2CC2)n1 670446630 DLKKNIJRYDHNGE-GOSISDBHSA-N 366.469 2.553 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)c1ccc(COc2ccccc2)cc1 670459261 MNDIWSIJLGUHCX-FQEVSTJZSA-N 368.477 2.842 0 50 FFAA O=C(O)[C@]12CCC[C@H]1N(c1nc(-c3ccncc3)nc3c1CCC3)CC2 1875269633 MFYZNEXCACCOGN-UZLBHIALSA-N 350.422 2.861 0 50 FFAA Cc1nc2c(NC[C@@H]3CCN(C(=O)[C@H]4C[C@@H]5C[C@@H]5C4)C3)ncnc2s1 1875331783 CLLDSKJXEXEAEC-FQUUOJAGSA-N 357.483 2.701 0 50 FFAA CCn1nc(C2CC2)cc1S(=O)(=O)NC1(c2nccs2)CCCC1 1875405503 HSPBQNBOVVBULV-UHFFFAOYSA-N 366.512 2.985 0 50 FFAA Cc1cc2nc(C(=O)Nc3ccc4nc([C@@H](C)O)[nH]c4c3)cc(C)n2n1 952991474 SICIGAARMFYPOU-LLVKDONJSA-N 350.382 2.528 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cccc4c[nH]nc34)C2)ccn1 886068697 JDNJMZQSYMOPGO-LJQANCHMSA-N 351.454 2.673 0 50 FFAA Cc1nnc(COC2CN([C@H](C)c3ccc(-n4ccnc4C)cc3)C2)o1 886091670 ICJNQCSEYTWVCU-CYBMUJFWSA-N 353.426 2.834 0 50 FFAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(F)cc1F 1565510054 ARJRIUBOPGIBTR-IRXDYDNUSA-N 366.364 2.674 0 50 FFAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc(NC(=O)NC(C)(C)C)cc1 96165556 SVHFMBFMOWAGMY-UHFFFAOYSA-N 357.458 2.962 0 50 FFAA Cc1ccc(-c2nc(CC(=O)N3CCOC[C@H]3c3nnc(C)o3)cs2)o1 275258066 CVAYVCZGZFFEHB-ZDUSSCGKSA-N 374.422 2.546 0 50 FFAA Cn1c(S)nnc1CCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 170624936 JDXLQQHAWIZBFA-UWVGGRQHSA-N 371.293 2.873 0 50 FFAA Cn1c(C(=O)NCC[S@](C)=O)ccc1-c1ccccc1Br 170629563 XLQBFJXBDIVGHW-NRFANRHFSA-N 369.284 2.563 0 50 FFAA COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-n2ccnc2)nc1 191417616 OXTQYNUFHSNTLQ-SFHVURJKSA-N 350.422 2.597 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cn1)N[C@H]1CCOc2c(F)cccc21 194889455 JCTRBEBEABKDTQ-INIZCTEOSA-N 372.400 2.703 0 50 FFAA Cn1cc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c2cc(F)ccc21 797748682 QWKDKHVCSIAWTF-BEFAXECRSA-N 356.397 2.532 0 50 FFAA C[C@H](C1CCN(CCCOCc2ccccc2)CC1)N1CCN(C)CC1 1529174569 VUIXGQDORVTYCL-HXUWFJFHSA-N 359.558 2.941 0 50 FFAA CCC[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2Cl)C[C@@H]1N(C)C 216427764 VSQRZGAVLWJMBR-GUYCJALGSA-N 361.877 2.723 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615737665 PLEITMQKWDPVPX-IRXDYDNUSA-N 370.449 2.622 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)NC[C@@H](c1cccnc1)N1CCCCC1 1772707474 VAHBHQZANSXYRY-SFHVURJKSA-N 357.429 2.812 0 50 FFAA CN(C)CCNC(=O)CCC1CCN(C2C3CC4CC(C3)CC2C4)CC1 12074264 ROPSPAKXWUZUFA-UHFFFAOYSA-N 361.574 2.981 0 50 FFAA COCCN(C)C(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12217750 NDXKTHCAJXGDJD-UHFFFAOYSA-N 360.439 2.923 0 50 FFAA Cc1c[nH]c(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)n1 12316605 UTHPYCIHASBOAR-UHFFFAOYSA-N 372.498 2.685 0 50 FFAA O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCC(=O)N(C2CC2)C1 12458364 ANIRQSTYZYPTRI-CQSZACIVSA-N 355.463 2.827 0 50 FFAA CCCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc(O)cc2)C1 14540786 IBCDXWMFZXLSBB-WOJBJXKFSA-N 373.541 2.842 0 50 FFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(CC(C)C)CC2 14733332 HCMGQKKNFFTANN-UHFFFAOYSA-N 373.497 2.970 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 18148675 ZSTMHXIZFXYSHY-LJQANCHMSA-N 367.424 2.588 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@@H](C(=O)c3ccccn3)C2)n1 19851606 KNTDDRXEXVGPMN-OAHLLOKOSA-N 362.437 2.680 0 50 FFAA CC[C@H](C)NC(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857692668 OMNDVMNVEWIGEK-NSHDSACASA-N 352.456 2.818 0 50 FFAA Cc1c(-n2ccnc2-c2cccc(OCCO)c2)c(N2CCCC2)nn1C 1857694540 DMRCLERLCINQBK-UHFFFAOYSA-N 367.453 2.553 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4nccs4)C[C@]34CC[C@H]2O4)c(C)o1 1857725551 BSEUYEBTNXMHHZ-WFXMFSGNSA-N 373.478 2.767 0 50 FFAA Cc1ccc(-c2cc(CN3CCC4(CC3)CNC(=O)CCO4)on2)cc1 1857733551 OHQLQNXGDIZZJF-UHFFFAOYSA-N 355.438 2.521 0 50 FFAA OC[C@@]1(O)CCOC2(CCN(Cc3ccc(-c4cccnc4)cc3)CC2)C1 1704314474 RZXUMJCYXVZYAG-OAQYLSRUSA-N 368.477 2.617 0 50 FFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccccc2Br)C1 379262864 IHXPKWXLNXHCGA-KCJUWKMLSA-N 351.166 2.943 0 50 FFAA O=C(NCc1ccccn1)c1cc2cc(Br)ccc2oc1=O 1052428 UPJYHBRIWSAPPQ-UHFFFAOYSA-N 359.179 2.881 0 50 FFAA Cc1cc(=NCCN2Cc3ccccc3OCC2=O)c2cc(F)ccc2[nH]1 2325770875 YWYYIIOSZBTTMN-UHFFFAOYSA-N 365.408 2.937 0 50 FFAA CC1(C)C[C@H](C(=O)NCc2nc3cccnc3[nH]2)CN1Cc1ccccc1 2325807565 DIQNNVZPDYGIQP-INIZCTEOSA-N 363.465 2.875 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CCC(=O)N1C[C@@]2(N)CCC[C@@]2(F)C1 2325809194 ODVBZFBBRDEOPZ-MOPGFXCFSA-N 350.482 2.520 0 50 FFAA CN1CCN(c2nnc(-c3cccnc3)s2)C[C@H]1Cc1ccccc1 2325857096 OZLQSLRYJVRDND-QGZVFWFLSA-N 351.479 2.963 0 50 FFAA COc1cc(C(=O)NC(=S)N(C)Cc2ccccc2)cc(OC)c1OC 676680 KCFDMDUTXRPIFX-UHFFFAOYSA-N 374.462 2.859 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F 1441561 YFTVGFCOABXLPW-IBGZPJMESA-N 353.397 2.671 0 50 FFAA COc1cc(F)ccc1CN1CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356143377 FPEPZUNVYXXBFZ-IEBWSBKVSA-N 353.434 2.908 0 50 FFAA CN1Cc2nnc(CCc3ccc(O)cc3)n2[C@H](Cc2ccccc2)C1=O 2356153763 UGSLWNMXWBXZLE-GOSISDBHSA-N 362.433 2.525 0 50 FFAA CCOC(=O)N(CC)c1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1 2900763 WEKRDEAIVQJPIK-HNNXBMFYSA-N 363.332 2.982 0 50 FFAA Cc1cncc(C(=O)N2CCC[C@]23CCCN(Cc2ccccn2)C3=O)c1 2356168198 TZBAZPIWGSGGIT-NRFANRHFSA-N 364.449 2.582 0 50 FFAA CCOC(=O)C1=NN(C(C)=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4866884 YFZCXPBITLWTJA-MJGOQNOKSA-N 364.401 2.803 0 50 FFAA COc1ccc(/C=C/CN2CCC(n3cc(CN(C)C)nn3)CC2)cc1 55385255 ZQTQVQGHRYMFMQ-SNAWJCMRSA-N 355.486 2.699 0 50 FFAA COCCN1CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 53980218 RCGJFWLXPHJUAQ-OAQYLSRUSA-N 367.493 2.944 0 50 FFAA O=C(Nc1ccccc1O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100599146 PALHJXZCKYUWFS-KODHJQJWSA-N 374.396 2.956 0 50 FFAA O=C(NCc1csc(-c2cnccn2)n1)c1nc2c(s1)CCCC2 67688634 KVSYQVNKHYLLOJ-UHFFFAOYSA-N 357.464 2.865 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(C)[C@H](C)c3cccs3)no2)CC1 67867215 MBYJKMFOLZYPGV-CQSZACIVSA-N 362.499 2.707 0 50 FFAA c1ccc(-n2cc(CCn3ccnc3-c3cc4n(n3)CCCNC4)cn2)cc1 72434433 UMZWWWZHUSYTEN-UHFFFAOYSA-N 373.464 2.668 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl 229648867 NNQIAMXPOPOSPJ-JHJVBQTASA-N 372.248 2.908 0 50 FFAA CC(C)Cn1nnnc1SCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229641653 YAGQQFUDXCEPGD-IIYDPXPESA-N 351.520 2.752 0 50 FFAA CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 125896593 WTXZLOGZSKCQIC-SFHVURJKSA-N 357.475 2.936 0 50 FFAA Cc1noc2nc3c(c(C(=O)N4CCC5(CCN(C)CC5)C4)c12)CCC3 65529977 KLXVNKOJBDFYIF-UHFFFAOYSA-N 354.454 2.578 0 50 FFAA Cn1cc(NC(=O)c2ccc(Cl)cc2)c(C(=O)NCc2ccco2)n1 2798608 NXDYZXFGKIEVEO-UHFFFAOYSA-N 358.785 2.849 0 50 FFAA COC(=O)c1c(NC(=S)NCc2cnn(C)c2C)sc(C)c1C 6232961 PFWLVGIMVYRLJW-UHFFFAOYSA-N 352.485 2.680 0 50 FFAA COCCCN1CCC(NC(=O)c2ccnc(-c3ccccc3)c2N)CC1 253417829 HHDMVKLVMJURTK-UHFFFAOYSA-N 368.481 2.562 0 50 FFAA O=C1N[C@H]2CCC[C@@H]1CN(Cc1cccc(OCCN3CCCCC3)c1)C2 215016753 NTWGXLUDBYVPPN-UXHICEINSA-N 371.525 2.652 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 124306118 ASEQMRUWVBGTBY-RIUYPTKQSA-N 366.527 2.688 0 50 FFAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)C1(c2cccc(F)c2)CCOCC1 282771725 KQBRGWNDOQLCGP-KRWDZBQOSA-N 357.429 2.801 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)n1 363479459 IAJWNXBYJDWZGF-UHFFFAOYSA-N 373.388 2.813 0 50 FFAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](CO)[C@H]3C)C2)c1 331795598 LFFGTFDMHBBDOF-SQNIBIBYSA-N 373.497 2.858 0 50 FFAA CC[C@@H]1c2cccn2CCN1C(=O)c1cnc2sc(C)c(C)n2c1=O 77485602 SJOBCUFEJSYJDN-CQSZACIVSA-N 356.451 2.781 0 50 FFAA CCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CCCOC)C2)C1 72474263 WERASYLJTDWWPK-FQEVSTJZSA-N 360.502 2.593 0 50 FFAA Cn1nc2c(c1C(=O)N[C@@H]1CCCN(Cc3ccccc3F)C1)CCCC2 72438943 VHFFOJPGCRFWRZ-MRXNPFEDSA-N 370.472 2.832 0 50 FFAA O=S(=O)(CC[C@H]1CCCO1)N1CCC(c2c[nH]c3ncccc23)CC1 157147463 CAHLCIHVRPXVGS-OAHLLOKOSA-N 363.483 2.641 0 50 FFAA Cc1cc(Br)cc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)c1 333536397 NBTXUZCNNQDZBA-LBPRGKRZSA-N 365.231 2.949 0 50 FFAA CC(C)OCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71746598 NSBVPZCKXTZFKJ-CWFSZBLJSA-N 364.436 2.778 0 50 FFAA C[C@@H]1CC[C@@H](CCC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)O1 237532903 PUHCAAQJQWXZCP-WHCBVINPSA-N 362.401 2.767 0 50 FFAA Nc1nnc(CCCNc2cc(-c3ccccc3)nc3ccnn23)s1 72157694 FAWYTQFYVHVJMB-UHFFFAOYSA-N 351.439 2.875 0 50 FFAA CCc1nc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)no1 71767991 RSYZJQYPPUYJJG-UHFFFAOYSA-N 357.389 2.846 0 50 FFAA CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCN(c2ccc(C)cn2)CC1 375585985 ZDTGMPSRTLAPCO-GOSISDBHSA-N 372.513 2.514 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)CC2=CSC3=NCCCN23)C1 222593107 RIBCDZRQWBWYMI-AWEZNQCLSA-N 370.478 2.543 0 50 FFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Br 226627845 OJFMPPWHVHSAHE-WRFANHODSA-N 362.223 2.981 0 50 FFAA O=S(=O)(c1cccc2cnccc12)N1CCCN(c2nccs2)CC1 194971172 UPZLBMSYOJQVFJ-UHFFFAOYSA-N 374.491 2.592 0 50 FFAA CN1C[C@]2(CCN(C(=O)c3ccc(-c4ncccc4F)cc3)C2)OC1=O 426438710 AQNIXYPAONEYCM-IBGZPJMESA-N 355.369 2.554 0 50 FFAA Cc1cccnc1OC1CCN(C[C@@H](O)COCc2ccccc2)CC1 289345798 GMKHFHVEAHYKJT-LJQANCHMSA-N 356.466 2.811 0 50 FFAA O=S1(=O)CCc2ccc(NCc3nccn3Cc3ccccc3)cc21 178036999 BOKWVVBOTVBJHJ-UHFFFAOYSA-N 353.447 2.873 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccc3c(c2)OCCO3)CC1 85532769 UPEUUMAVMAJLGM-UHFFFAOYSA-N 353.422 2.514 0 50 FFAA Cc1nnc(SCCNC(=O)[C@H](C)Oc2ccc(F)cc2F)s1 223279939 DXXZMCHMDZAUID-QMMMGPOBSA-N 359.423 2.801 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3ccn(C(F)F)n3)CC2)cc1 82155876 OERGTAKJFILYMU-UHFFFAOYSA-N 351.353 2.970 0 50 FFAA COc1cc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c2ncccc2c1 96160971 BIQLQYPLRRXUAS-MRXNPFEDSA-N 372.469 2.818 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)CC1 97522181 FPZGQBXJLLRMDR-UHFFFAOYSA-N 364.405 2.658 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 239038831 DZUJQBDSCVJZSY-LBTBCDHLSA-N 374.868 2.902 0 50 FFAA Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)ccn1 91494374 SMFFLIUAISYXON-MAUKXSAKSA-N 354.429 2.540 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncccc1C)C2 95378565 ANUJVCHKWJULFP-SBHAEUEKSA-N 359.514 2.734 0 50 FFAA C[C@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1CCCNC1 237584038 HJUGHLXISQWFQH-HZPDHXFCSA-N 370.497 2.519 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)[nH]n1 91663338 ODCQWVSUMQFYIS-SFHVURJKSA-N 354.385 2.768 0 50 FFAA Cc1ccc2[nH]c(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)cc(=O)c2c1 91593125 GJGPYTQNDNIPAW-FQEVSTJZSA-N 355.438 2.643 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCSCc1ccc(F)cc1)CC2 91906423 HEOXPWVOMANTOM-SJORKVTESA-N 367.486 2.837 0 50 FFAA Cc1c(CN(C)Cc2noc3c2CCCC3)c(=O)n(-c2ccccc2)n1C 97805547 IWEUAUNBGJRCEY-UHFFFAOYSA-N 366.465 2.983 0 50 FFAA CSc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1 91986652 BFPGWCDKWAFRPE-INIZCTEOSA-N 369.490 2.811 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cc(-c4cnn(C)c4C)no3)CCO2)c1 184625309 YFDXANAHKROCKJ-FQEVSTJZSA-N 368.437 2.966 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1 244641221 GLPBHBLKMHEJCZ-UHFFFAOYSA-N 371.506 2.849 0 50 FFAA Nc1nc(NCc2csc(Cc3ccccc3)n2)cc([C@H]2C[C@@H](O)C2)n1 244718956 LUCUGXWWKWMKDT-OTVXOJSOSA-N 367.478 2.957 0 50 FFAA Cc1cccc2c(O)c(C(=O)NC3CCN(C[C@H]4CCCO4)CC3)cnc12 253536254 MGSDCKMYNAHAMW-MRXNPFEDSA-N 369.465 2.622 0 50 FFAA COc1ccccc1Oc1ccc(CNC(=O)c2cnn(C)c2N)cc1 184458199 KEMXWWDMOPXIER-UHFFFAOYSA-N 352.394 2.733 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)N1CCOC[C@@H]1CO 299797654 OOYPBALNIQUNQD-AWEZNQCLSA-N 358.394 2.713 0 50 FFAA Cn1cc(C(=O)N2CCC(c3cc(CC(=O)O)n[nH]3)CC2)c2ccccc21 299802813 QJYUTXBGMYIUJA-UHFFFAOYSA-N 366.421 2.548 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)c2)nc1 299779161 QSKGUJRLXMIMCD-SFTDATJTSA-N 365.477 2.728 0 50 FFAA COc1c(C)cccc1C(=O)NCc1nncn1CCc1ccccc1 824512291 CVNLZWXNJVTGHC-UHFFFAOYSA-N 350.422 2.768 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(-c2c(F)cccc2Cl)nc(CC(N)=O)n1 826842536 YBSJXRMMKFKKJK-UHFFFAOYSA-N 373.819 2.981 0 50 FFAA COc1c(N)ccnc1-c1ccc(C(=O)N[C@H](C)CCn2cccn2)cc1 584887956 ITDFPFFESMWENV-CQSZACIVSA-N 365.437 2.745 0 50 FFAA O=C([C@H]1CCCO1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 827913341 DYSPUOVGLHWXCH-GOSISDBHSA-N 355.438 2.601 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 874568998 GROSORZLUXQPIK-DOMZBBRYSA-N 370.371 2.671 0 50 FFAA Cc1nccc2c(S(=O)(=O)N3C[C@@H]4CCCC[C@@]4(CN)C3)cccc12 1875317097 OQXAZHZWEABSHN-HNAYVOBHSA-N 359.495 2.683 0 50 FFAA O=C(Cn1c(Cc2ccc(F)cc2)noc1=O)c1ccc2c(c1)CCC2 1875391642 NPCPPOOCYGALPE-UHFFFAOYSA-N 352.365 2.938 0 50 FFAA Cc1nc([C@H](C)N2CC[C@H](CCNC(=O)c3ccc(F)c(C)c3)C2)n[nH]1 1875322872 LETKRNLTNLONFJ-ZFWWWQNUSA-N 359.449 2.764 0 50 FFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCC(N2CCCC2=O)CC1 1875326691 HZLIWIMTSVSBQE-HJZRJOMTSA-N 373.497 2.731 0 50 FFAA CCOc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1F 1875314541 DMRBCBSLZFECQE-NEPJUHHUSA-N 361.417 2.910 0 50 FFAA C[C@]1(CC(=O)N[C@H]2[C@H](CNc3ncccn3)CCC23CCC3)CCCO1 1875406263 ALVSJZGMWCYDFN-VDZJLULYSA-N 358.486 2.913 0 50 FFAA Cc1cccn2cc(C(=O)N3CCc4nc[nH]c4[C@@H]3c3cccnc3)nc12 952987411 MKPCJGHMTDOITE-SFHVURJKSA-N 358.405 2.549 0 50 FFAA CCn1ncc(Br)c1C(=O)N1CCc2ccc(O)cc2C1 1347041406 DORRUXGJTWQFSM-UHFFFAOYSA-N 350.216 2.570 0 50 FFAA O=C(NOCc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 186459466 MMBNBQCOCCAOLD-UHFFFAOYSA-N 356.397 2.926 0 50 FFAA CCC[C@@]1(COC)CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 192760956 GRAJFYFPYPADPH-HNNXBMFYSA-N 357.248 2.559 0 50 FFAA Cn1ccn2ncc(C(=O)N3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)c12 1529095714 UQPCJTCRUKTAEG-ZWKOTPCHSA-N 350.422 2.665 0 50 FFAA COc1ccc([C@H](C(=O)O)N(C)Cc2nc3ccc(F)cc3[nH]2)cc1OC 1529142935 XVIXNEONDKWQKY-GOSISDBHSA-N 373.384 2.977 0 50 FFAA CCc1[nH]nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C 1704299917 NWRCGSQJRCNETQ-DNVCBOLYSA-N 364.449 2.816 0 50 FFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)c1 1704326180 ZSKCICKZTNWNTO-KRWDZBQOSA-N 358.486 2.693 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(N(C)C)cc1)C2 216270840 GNOIZMKUTSRRJK-MJGOQNOKSA-N 355.482 2.782 0 50 FFAA COc1cccc(CC(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1 1616071284 IIRLKZPZNFIRRI-FPOVZHCZSA-N 366.461 2.522 0 50 FFAA O=C(CCc1cccnc1)N1CCCN(Cc2cc(C3CC3)on2)CC1 1772712294 NATVTZFHDXGNDR-UHFFFAOYSA-N 354.454 2.614 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNC1(c2ccccc2)CC1 12298415 QMPWSXUKXYSXPG-QHCPKHFHSA-N 364.489 2.862 0 50 FFAA COC[C@@H](C)NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 15066709 QUOFGFLPUPNHKK-SNVBAGLBSA-N 357.332 2.772 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 15069435 NZPNVGGWHVOJHP-CQSZACIVSA-N 350.409 2.758 0 50 FFAA CN(C)S(=O)(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 15079969 QTOHQGUSKUPSJQ-LJQANCHMSA-N 374.506 2.716 0 50 FFAA CCN1CCN(CC(=O)N2c3cc(OC)ccc3C(C)=CC2(C)C)CC1 169681437 RNXKJELACRPDLA-UHFFFAOYSA-N 357.498 2.861 0 50 FFAA COc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)no2)cn1 169755276 AECIWEHZFRQGPI-CQSZACIVSA-N 350.378 2.969 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 212654127 DHLLBCCDMGOBOW-AEFFLSMTSA-N 365.477 2.960 0 50 FFAA C[C@@H](C(=O)O)N(C)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 408513540 VCRSHTUKJFJQGO-SMDDNHRTSA-N 369.259 2.518 0 50 FFAA CC(C)Oc1cccc(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)c1 133036228 OLYUDRLFYNHQRI-UHFFFAOYSA-N 369.465 2.978 0 50 FFAA CC(C)c1[nH]nc(C(=O)N2CCC[C@H](N(C)C)CC2)c1Br 365305849 CDIHXVKEDOGTTK-NSHDSACASA-N 357.296 2.852 0 50 FFAA O=S(=O)(Cc1noc2ccccc12)N[C@@H]1CCc2ccccc2OC1 370013657 ZNIMDEBDJBJBFM-CQSZACIVSA-N 358.419 2.641 0 50 FFAA COc1cc(CNC(=O)C[C@@H]2CCOc3ccccc32)ccc1C(=O)O 371324535 YBLDNDUVQMACQO-AWEZNQCLSA-N 355.390 2.966 0 50 FFAA COc1cc(CNC[C@H](C(=O)O)C2CCOCC2)cc(Cl)c1OC 824517593 AOOWKCMPAPFJCA-ZDUSSCGKSA-N 357.834 2.574 0 50 FFAA Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)cc2)c[n+]1[O-] 690079 AWURWRWPPTXSLT-UHFFFAOYSA-N 355.781 2.975 0 50 FFAA Cc1c(Cl)ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1Cl 11566085 KSVTXDDOXACWIG-UHFFFAOYSA-N 352.239 2.787 0 50 FFAA CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@]2(C3CCOCC3)CCNC2)CC1 2325768823 UQKCWKKZYUFRFE-ZJOUEHCJSA-N 366.546 2.883 0 50 FFAA NCc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2nnc(C(F)F)n2c1 2325774967 LOCPQQKHNPWANS-AWEZNQCLSA-N 357.364 2.543 0 50 FFAA CCOC(=O)c1cnn(C)c1C1CN(Cc2cc3ccc(F)cc3[nH]2)C1 2325789155 YNMKASLOMMGGIE-UHFFFAOYSA-N 356.401 2.817 0 50 FFAA CCOc1ccc([C@@H](NC(=O)c2cc(O)nc(CC(C)C)c2)C(=O)O)cc1 2325851907 MGXYMLWIGUJEIY-GOSISDBHSA-N 372.421 2.940 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2c(F)cccc2OC)CC1 2325887998 JRFKWLRISAUTRT-INIZCTEOSA-N 360.429 2.922 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 665944 SYUGIWWVOGSMJS-UHFFFAOYSA-N 368.418 2.785 0 50 FFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)NC(=S)N1 1134536 TWBCIYTXVJEMFF-INIZCTEOSA-N 364.467 2.840 0 50 FFAA Cc1cc(C(F)F)n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2n1 2485421 ACMYRNCXAHTFIK-UHFFFAOYSA-N 371.391 2.938 0 50 FFAA Cc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1Cl 3359250 AXZBVTMAYANMOX-OAHLLOKOSA-N 351.834 2.504 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N(C)Cc3nncn3C)ncnc21 2356162360 ACGNHBVSPYOABF-UHFFFAOYSA-N 356.478 2.590 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c1C 413929099 DCANSVLDAUNYCN-CVEARBPZSA-N 356.422 2.756 0 50 FFAA O=C(CCn1c(S)nc2ccccc2c1=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 225404160 BACUHWRQHCGOCA-IHRRRGAJSA-N 357.479 2.628 0 50 FFAA Cc1cc(C(=O)N(C)Cc2nonc2C)ccc1NC(=O)c1ccco1 55211745 RYUJVPNFBQPNKW-UHFFFAOYSA-N 354.366 2.804 0 50 FFAA CC[C@H](NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1)c1nccs1 464265889 MHORXNXTNXUPER-LBPRGKRZSA-N 359.517 2.593 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 100087902 DFZZQOHHWGVUOO-NUZBWSBOSA-N 374.462 2.577 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1Cc3cnc(CC(C)C)nc3C1)C2 67513670 AKSMHBOCQBUBKR-HNNXBMFYSA-N 367.449 2.777 0 50 FFAA CCc1ccccc1NC(=O)CCNC[C@]1(O)CCCN2CCCC[C@@H]21 63835315 FHWNOHDPBOMMLO-TZIWHRDSSA-N 359.514 2.547 0 50 FFAA CCCCn1nc2c(c1I)CC[C@H](C(=O)OC)C2 252508845 XVSFXJOITIZXTQ-VIFPVBQESA-N 362.211 2.566 0 50 FFAA COc1ccc2c(c1)N(C(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C[C@H](C)O2 329141624 UKBQODLDNXXCGN-HLLBOEOZSA-N 367.449 2.977 0 50 FFAA CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 4764531 RWQCKACYKKSOKK-AWEZNQCLSA-N 366.414 2.671 0 50 FFAA biogenic COCc1noc(-c2ccc(N3CC[C@@](O)(c4ccccc4C)C3)nc2)n1 72468131 VBEMLSPDWRNNSA-FQEVSTJZSA-N 366.421 2.684 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)Cc2ccccc2O1 333154539 GDCCJHJKMFNUHJ-ALKREAHSSA-N 370.453 2.633 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Cn2c(-c3cccs3)noc2=O)C1 282242370 QEHGQDCORGSJCJ-ZDUSSCGKSA-N 355.419 2.727 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1 331587223 SCKZPLHFGUAGOI-SFHVURJKSA-N 359.495 2.712 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)c1sccc1OC(F)F 363483906 NOXNEPGQECSLKV-UHFFFAOYSA-N 350.350 2.860 0 50 FFAA O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CC[C@@H]2CNC[C@@H]2C1 333165771 MSLWDDIJCQKMHZ-ZIAGYGMSSA-N 363.421 2.963 0 50 FFAA Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2C2CC2)c1 376895154 KCVMVFBEGMQCLF-MRXNPFEDSA-N 355.394 2.956 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)CCc3c(C)nn(C)c3C)C[C@H]2N(C)C)cc1 77471819 OJAFQJLBLMINIP-LEWJYISDSA-N 368.525 2.834 0 50 FFAA COc1ccc(Oc2ccc(C(=O)NCc3nncn3C(C)C)nc2)cc1 448907251 CUXYFJHATIZGFA-UHFFFAOYSA-N 367.409 2.985 0 50 FFAA OCC[C@@H]1CN(c2cc(N3CCCCC3)ncn2)CCN1C1CCCCC1 72428338 UBHBKKGGPHHRTO-LJQANCHMSA-N 373.545 2.673 0 50 FFAA O=C(Nc1cccc2cccnc12)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 371427663 XYEUWVSSEFZDMT-CVEARBPZSA-N 367.449 2.839 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]43)cc12 157320156 DJMHLIDBQJJDOT-BHYGNILZSA-N 355.419 2.538 0 50 FFAA CO[C@@H]1CCCN(c2nc(C)nc3c2CCN(Cc2ccco2)CC3)C1 72411904 AUWJCVISECIVHP-MRXNPFEDSA-N 356.470 2.594 0 50 FFAA CC(=O)N1CCc2c(nc(C)nc2NCC2(COc3ccccc3)CC2)C1 71753120 ZQWMQRLBJNTAHE-UHFFFAOYSA-N 366.465 2.961 0 50 FFAA O=C(NCc1nc(C(F)(F)F)cs1)c1ccc2c(c1)CCNCC2 241587932 OYFWGARLPOGDFW-UHFFFAOYSA-N 355.385 2.780 0 50 FFAA C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2NC1=O 132013717 SXNUTERESMUXBC-AWEZNQCLSA-N 373.478 2.532 0 50 FFAA CC[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)O)c2C(N)=O)C1 17073061 MGXNAIHDNDGLSA-NXEZZACHSA-N 352.456 2.801 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 82087222 AFYZJSCZKYJUAJ-FQEVSTJZSA-N 369.440 2.612 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccc(F)c(F)c1F)CC2 426421092 HWIYNWAEUZNZQW-DHSIGJKJSA-N 359.388 2.625 0 50 FFAA CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccsc2)n[nH]1 82121868 FIGRQIVRDIZQMB-UHFFFAOYSA-N 365.418 2.647 0 50 FFAA CN1CCO[C@@H](CNC(=O)c2ccc(-c3ccc(O)c(Cl)c3)cc2)C1 426471302 DXYBAJATFNTNFZ-INIZCTEOSA-N 360.841 2.773 0 50 FFAA O=C(NCCN1CCOCC1)c1cccc(-c2ccc3ocnc3c2)c1 426485583 DWPNEUJHGQKNPI-UHFFFAOYSA-N 351.406 2.557 0 50 FFAA CC(C)[C@H](NC(=O)c1ccc(-c2cnc(O)nc2)cc1)c1nccn1C 426593841 SDDQUAPQPWIFFU-INIZCTEOSA-N 351.410 2.710 0 50 FFAA COCCN(Cc1nccs1)C(=O)NCc1nc2ccc(C)cc2[nH]1 426489721 WIOAKLLHZIRFTJ-UHFFFAOYSA-N 359.455 2.686 0 50 FFAA CCC[C@@]1(CO)CCN(C(=O)NCc2ccc(CN3CCCC3)cc2)C1 292260464 GBIXIOYTDYHLJX-OAQYLSRUSA-N 359.514 2.977 0 50 FFAA O=C(NC[C@@]1(O)CCOC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 179378816 HQRWDTDZQMFFLY-INIZCTEOSA-N 373.375 2.579 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)NCc3cncn3CC(C)C)ccc21 96152788 VFBAKUJWVHWLAR-UHFFFAOYSA-N 371.441 2.606 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC(F)(F)CC2)n1 426379620 DANMXXHUSOFQDF-UHFFFAOYSA-N 352.307 2.787 0 50 FFAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2scc3c2CCCC3)C1 91320290 QCZWECNQEHWGAO-SFHVURJKSA-N 351.468 2.970 0 50 FFAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cncn2C2CCCC2)C1=O 95387509 YUAXMKLQJGUZEK-GOSISDBHSA-N 369.421 2.856 0 50 FFAA Cc1ccc([C@H](CCO)NC(=O)c2cnc(N)nc2-c2ccccc2)cc1 97743583 JULXRVGJTRJXBT-SFHVURJKSA-N 362.433 2.888 0 50 FFAA Cc1cc(C)c2[nH]c(CN3CCC4(CC3)CN(C)C(=O)O4)cc(=O)c2c1 92022623 FYNNHUZQKLLVQL-UHFFFAOYSA-N 355.438 2.562 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)c1O 95371045 QQLFBQVCCAZMRF-QGZVFWFLSA-N 370.497 2.869 0 50 FFAA Cc1cc2nc(C(=O)N3CCCC[C@H]3CCn3cccn3)cc(C)n2n1 91320704 HMCGMUHTWPMOPF-INIZCTEOSA-N 352.442 2.628 0 50 FFAA CNC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)c(Cl)c2F)CC1 244748615 OLCBAIZQWRXXON-XYPYZODXSA-N 358.816 2.829 0 50 FFAA Cc1ccc(C2(O)CCN(Cc3cc4ccccc4n(C)c3=O)CC2)nc1 244633369 GBSVVFLUMXWAJV-UHFFFAOYSA-N 363.461 2.726 0 50 FFAA CC(C)[C@@H](C(=O)NCc1cc(Cl)cc2c1OCC2)N1CCCC1=O 182484053 RPIJDCDHTSJCHY-INIZCTEOSA-N 350.846 2.538 0 50 FFAA CC1(Cn2cc(C(=O)NC3(c4ccc(F)cc4)CCCC3)nn2)COC1 184341534 GAFFGSIUOPOAGJ-UHFFFAOYSA-N 358.417 2.653 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccco2)CC1 252484198 FRDDVLPROVINMG-UHFFFAOYSA-N 354.859 2.581 0 50 FFAA CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH]c2ccccc12 1272948954 SZSGISAYFLZQIT-ROUUACIJSA-N 354.454 2.504 0 50 FFAA C[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1ccc2c(c1)OCCCO2 299776813 DFCRVXASXOJBKU-ZDUSSCGKSA-N 355.438 2.951 0 50 FFAA Cc1cc(NC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)n(-c2ccccc2C)n1 299756886 IMCOGEVKLWOCJO-IBGZPJMESA-N 369.425 2.548 0 50 FFAA OC[C@H]1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1 828710931 PVQSZBMDBJJWHW-QGZVFWFLSA-N 351.922 2.745 0 50 FFAA CCc1nc(-c2ccc(C(=O)NCC(=O)N3CCCC3)cc2)ccc1C 584902328 YPPBJQAGIPRJLK-UHFFFAOYSA-N 351.450 2.972 0 50 FFAA Cc1ccsc1CN(C)C(=O)NCc1csc(N2CCOCC2)n1 584896603 XKSYAIHXKBJPAB-UHFFFAOYSA-N 366.512 2.691 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)c2[nH]nc(N)c2-c2ccccc2)c1 670467221 SISUTNYCKROKSG-UHFFFAOYSA-N 363.421 2.726 0 50 FFAA CCOc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C)o2)C1 952851911 ZYCKJBNGCQONAW-LIRRHRJNSA-N 356.426 2.674 0 50 FFAA O=C(NC[C@@H]1CC12CCC(O)CC2)[C@@H](O)c1cccc(Br)c1 1875298769 MZHMHCWLMIHPIR-IDSHBHDBSA-N 368.271 2.540 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1 1875373590 HALHXBAWXRWZEK-SFHVURJKSA-N 367.453 2.512 0 50 FFAA C=CC(=O)N1CC(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1 1875387300 AQDLTDGPWBBCJU-UHFFFAOYSA-N 365.433 2.751 0 50 FFAA Cc1nnc(N2CCC3(CC2)CC(NC(=O)[C@H]2CC[C@H](C)C2)C3)nc1C 1875405406 FWMATHCUIKPGMN-BBRMVZONSA-N 357.502 2.790 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cnc(-c4ccccn4)nc3)cc2[nH]1 952976275 IAPLYMQWQKSKBC-LLVKDONJSA-N 360.377 2.721 0 50 FFAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)CCCn1cncn1 952991236 VHHAFQQGCAESQD-HNNXBMFYSA-N 355.442 2.712 0 50 FFAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cnn2ccn(C)c12 952976574 NGTCCNZZMHCBNS-UHFFFAOYSA-N 364.409 2.694 0 50 FFAA CCN1CCO[C@@H](CN[C@@H]2CCc3ccc(C)cc32)[C@@H]1c1nccn1C 886085259 IRHPGUUBPXGLFB-HSALFYBXSA-N 354.498 2.767 0 50 FFAA COc1ccc2cc(-c3nnc([C@H]4CN(C)C[C@@H](C)O4)o3)c(C)nc2c1 888078926 JQOZVHVYIPDCCN-PIGZYNQJSA-N 354.410 2.993 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C(N)=O)cc2)ncn1 275715050 OGXAWDHQFBUKDJ-APWZRJJASA-N 369.469 2.803 0 50 FFAA Cc1cccn2c(=O)c(C(=O)N3CCN(C4CC4)c4ccccc43)cnc12 186859479 OKBLQQNJKWXHMW-UHFFFAOYSA-N 360.417 2.632 0 50 FFAA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H]1CCCc2c(O)cccc21 190171795 AYBVFTLDEHOZFM-ROUUACIJSA-N 368.433 2.713 0 50 FFAA NC(=O)c1ccccc1CC(=O)NC1(c2ccc(Br)cc2)CC1 191381082 XWIWHWHFAUJFIC-UHFFFAOYSA-N 373.250 2.896 0 50 FFAA CCC[C@H]1CN(Cc2cncn2C2CCCCC2)C[C@@H]1NS(C)(=O)=O 216282209 QKJYQCGGFUFMOS-YJBOKZPZSA-N 368.547 2.538 0 50 FFAA CCOc1ccccc1S(=O)(=O)N1CCC(c2ccnc(O)c2)CC1 1772816771 UUGOIIACFXGXHR-UHFFFAOYSA-N 362.451 2.754 0 50 FFAA COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)[C@H]2CCOC2)no1 11844228 OVTXTPGAYQRUOH-LBPRGKRZSA-N 366.801 2.777 0 50 FFAA O=C1CCCCN1CCCC(=O)N1CCO[C@H](CC2CCCCC2)C1 12594791 QNHIVBZLZSZDGX-GOSISDBHSA-N 350.503 2.977 0 50 FFAA COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)Nc1ccccc1 14980412 DIYPXQYRRPGATA-QGZVFWFLSA-N 365.433 2.971 0 50 FFAA CCOC(=O)[C@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 169293349 XECIQQVBKABCHR-LERXQTSPSA-N 363.357 2.606 0 50 FFAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)C1(c2ccccc2Cl)CCC1 1857531675 WXPRFPSVSQCVLM-JLSDUUJJSA-N 373.884 2.914 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ncccc3Cl)C[C@]23CC[C@H]1O3)c1ccoc1 1857715028 YAKJXVOZHSMDEL-XWESNNAXSA-N 373.840 2.742 0 50 FFAA COc1cccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c1 1857726999 HOHRDPQAZDZOGQ-SVFBPWRDSA-N 366.461 2.568 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@H]2[C@H](C)O)cc1Cl 408394030 MFUVMDXRAJXICW-JKOKRWQUSA-N 361.891 2.827 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCN=C1Cc1ccccc1 12371403 HLHMDNGIPVHEAJ-UHFFFAOYSA-N 364.854 2.994 0 50 FFAA NC[C@H](NC(=O)c1csc2ncnc(O)c12)c1ccc2ccccc2c1 2325857566 GSKZTOQAIMKYCM-HNNXBMFYSA-N 364.430 2.980 0 50 FFAA CSCc1nc(-c2nn[nH]c2Cl)n(Cc2ccc(F)c(F)c2)n1 2325876207 NAKZBUKTRLZDTE-UHFFFAOYSA-N 356.789 2.906 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3cc(Cl)cnc3Cl)CC2)C1 2325891027 MDHPCMRARDHISU-UHFFFAOYSA-N 365.282 2.968 0 50 FFAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)c(OC)c1 783787 UJEDOANNZXYQCG-GOSISDBHSA-N 361.781 2.770 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OC)c2)cc1 862541 CDEWAVBAFKBJQR-GOSISDBHSA-N 367.405 2.970 0 50 FFAA CCCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 1904048 FVGXQXVUWDDNJM-UHFFFAOYSA-N 372.450 2.896 0 50 FFAA c1cnn(-c2cc(N3CC[C@H]4[C@@H]3CCN4CC3CCCCC3)ncn2)c1 2356158395 IEZZBTCPIPRVMF-ROUUACIJSA-N 352.486 2.896 0 50 FFAA O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCc1cccnc1 3892497 IIRVXNJEGFDTAK-UHFFFAOYSA-N 359.385 2.537 0 50 FFAA CCOC(=O)N1CCN(c2cc(C)c3c(OC)cc(OC)cc3n2)CC1 4996829 YVAGQUGHZHOSFH-UHFFFAOYSA-N 359.426 2.839 0 50 FFAA O=C(c1ccccc1-n1cccn1)N1CCC(c2nncn2C2CC2)CC1 110811584 HSNRCZQDZVPMEI-UHFFFAOYSA-N 362.437 2.819 0 50 FFAA CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C[C@@H](C)O1 111013696 UISCAOKXNYELDB-JLZZUVOBSA-N 352.862 2.933 0 50 FFAA O=C(Cc1noc(-c2nn[nH]c2-c2ccccc2)n1)NC1CCCCC1 225506835 WTFOQCWYWWYKOG-UHFFFAOYSA-N 352.398 2.513 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cnc4ccccn34)[C@@H](C)C2=O)cc1 55369172 RDEPNLOTQSUGCU-INIZCTEOSA-N 362.433 2.516 0 50 FFAA COc1ccc(O[C@H](C)C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 248161046 XNCNAUIGJNOGKD-UZLBHIALSA-N 354.450 2.978 0 50 FFAA COc1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c(Cl)cc1O 104400571 NKYSKICPNAZATB-OAHLLOKOSA-N 370.921 2.969 0 50 FFAA NC(=O)c1csc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)n1 67881297 SPOWRIKFPFLLGR-KRWDZBQOSA-N 365.886 2.717 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H]1CCNC1)CCO2 67675965 ZZZPCNCESYTLJP-HNNXBMFYSA-N 352.434 2.698 0 50 FFAA NC(=O)c1csc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 65406963 YVKVLJYRLZZMCW-DOTOQJQBSA-N 353.447 2.750 0 50 FFAA OCCN1CCC[C@@H](CNc2cc(-c3ccccc3F)nc3ccnn23)C1 72170563 JYIXUIBRRNCINY-HNNXBMFYSA-N 369.444 2.652 0 50 FFAA CCCn1cnnc1CNc1nc(-c2c[nH]c3ccccc23)nc2c1CNC2 72168776 YNGACKXVYKJBPE-UHFFFAOYSA-N 374.452 2.842 0 50 FFAA CCn1nc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1C 77440365 SZNIBOAERUXOAM-UHFFFAOYSA-N 354.498 2.992 0 50 FFAA Cc1nc2sccn2c1CN1CCN(CCC(C)C)[C@H](CCO)C1 39515530 YNQAMPOVBLSWRL-MRXNPFEDSA-N 350.532 2.619 0 50 FFAA O=C(O)CSc1nnc([C@H]2CCCNC2)n1-c1cccc(Cl)c1 65382721 ZSQSFUCFPXTEEO-JTQLQIEISA-N 352.847 2.564 0 50 FFAA OC1CCN([C@@H]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2O)CC1 12709322 DJYANRITHWBEBZ-DHIUTWEWSA-N 366.505 2.746 0 50 FFAA Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3nccn3C)no2)c1 12313930 TVQJNCNPGNOXIQ-UHFFFAOYSA-N 354.410 2.876 0 50 FFAA CN1CCC(CNC(=O)[C@@H]2CCOc3ccccc32)(N2CCCCC2)CC1 172751233 JSXMYOXJKSSLIA-LJQANCHMSA-N 371.525 2.619 0 50 FFAA CNc1nc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cs1 72479069 FXUCJTYMPVUAEB-UHFFFAOYSA-N 359.480 2.757 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C)CCCC3)o1 173060108 PDZUQUHNBUVRTE-UHFFFAOYSA-N 354.453 2.689 0 50 FFAA C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCOC[C@H](C2CCC2)C1 328780947 UQIVSYVMACQOPA-DOTOQJQBSA-N 359.532 2.660 0 50 FFAA COc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77378497 FHDXHCQFOGDYJY-NRFANRHFSA-N 371.481 2.878 0 50 FFAA C[C@H](NC(=O)c1[nH]nc(N)c1-c1ccccc1)c1ccc2c(c1)OCCO2 215421569 NHFOFTXQRPJUPY-LBPRGKRZSA-N 364.405 2.921 0 50 FFAA Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cc3ccccc3[nH]2)cc1 173858088 PNEBASOIYUOVJI-UHFFFAOYSA-N 371.462 2.527 0 50 FFAA Cc1cc(C)c(CN2CC[C@@]3(CCCN(C)C3=O)C2)c(-n2cccn2)c1 72480497 JDPNDVMMFGMSSX-NRFANRHFSA-N 352.482 2.933 0 50 FFAA CC(=O)NCCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 77377544 WFJFMESRWOINED-QGZVFWFLSA-N 354.454 2.617 0 50 FFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn2c1CCCC2 127266509 NGGJPNGENUMJTJ-GOSISDBHSA-N 352.482 2.814 0 50 FFAA O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1CCC12CCC(CO)CC2 372504436 MTAPQTSTQQEZHI-CRPOECCBSA-N 371.399 2.762 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 237386223 DNRDSFMDDPLLMW-MWLCHTKSSA-N 364.799 2.894 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cn3cccnc3n2)CC1 72425963 BSDOGBUXHUGAJN-UHFFFAOYSA-N 363.465 2.508 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3ccccc3Cn3cccn3)C2)cc(=O)[nH]1 72143701 HFAPBXIDSYPGCM-LJQANCHMSA-N 363.465 2.703 0 50 FFAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cc(=O)c(OC)c[nH]2)C1 71711989 XDEJADCKEXEOPU-CYBMUJFWSA-N 374.412 2.626 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 238104742 PDKVPQKQEAJEKL-CABCVRRESA-N 371.355 2.901 0 50 FFAA CCOc1ccc(OC[C@@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 175085880 AMPKPROKOVPYHD-HNNXBMFYSA-N 374.412 2.813 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@H](C)c2c(C)nn(C)c2C)CC1 329958869 QFFSDJUBWSPCDV-CQSZACIVSA-N 356.470 2.914 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)NCc1sc2ccccc2c1Cl 426424239 JVZFLLYHWRBQPR-NSHDSACASA-N 351.859 2.975 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3COC4(CCCCC4)C3)c2c1 426386518 ZSLGQQJMVRCQIC-OAHLLOKOSA-N 358.438 2.901 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)CCSC)CC2 426612528 FTGYUHHIABIGSN-RLFYNMQTSA-N 350.484 2.752 0 50 FFAA Cn1cc([C@H](NC(=O)c2ccc3cccc(Cl)c3n2)C2CC(O)C2)cn1 222884826 MKNRVFOEFNBVOJ-MKTAYPAQSA-N 370.840 2.864 0 50 FFAA Nc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1 426465056 BNASMNPLBURPTQ-CYBMUJFWSA-N 374.872 2.704 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CCC[C@@H]2C[C@H](C)O)CC1 179008695 KXNIWXTYILEWFC-DOTOQJQBSA-N 361.486 2.609 0 50 FFAA CN(Cc1ccc2nsnc2c1)[C@@H](C(=O)O)c1ccc2c(c1)OCCO2 95384281 BUTAHAKAFOCHQN-QGZVFWFLSA-N 371.418 2.720 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCC[C@H]1CO 426693857 UENDCWIHDOQYMI-INIZCTEOSA-N 373.419 2.694 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccc(-c3cccc(OC)n3)cc2)CC1 426661976 HHWSLHZGZYORHF-UHFFFAOYSA-N 369.421 2.672 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2c1 95524325 ULMFMNQVJLVGJB-UHFFFAOYSA-N 362.433 2.718 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC1CCN(Cc3ccccn3)CC1)C2 95521182 KRXATLCMAOAZEH-KRWDZBQOSA-N 367.493 2.896 0 50 FFAA CCc1ccccc1N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(C)=O 239309139 HFQSYBRTVXCLOS-FKAIMOKRSA-N 364.445 2.613 0 50 FFAA CC[C@H](C(=O)NC(C)(C)C)N1CCn2nc(Cc3ccccc3)cc2C1 97499558 ZQTCJOWUVQTIBH-LJQANCHMSA-N 354.498 2.983 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91487043 YAVOJGAQXWGFNK-GOSISDBHSA-N 361.449 2.670 0 50 FFAA CN(CC(=O)O)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 95497350 LZUSFHNQIPKRBO-HNNXBMFYSA-N 358.404 2.976 0 50 FFAA O=C(Nc1ccc2occc(=O)c2c1)N1CCCC[C@@H]1CN1CCOCC1 96149183 YMAXYWQYUIBGJH-MRXNPFEDSA-N 371.437 2.512 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCCC[C@H]1CCn1cccn1 95353232 SZDCMQQSFHRQAP-SFHVURJKSA-N 362.437 2.820 0 50 FFAA Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1Cl 239254622 YNKZVSRQWTVSBC-PNZLXGSGSA-N 370.836 2.640 0 50 FFAA O=C(Cc1ccccn1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91474216 UDVAHCRLAHTAPG-NRFANRHFSA-N 355.482 2.798 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2)C1 96136918 XBPGEJSAVYNEBT-IBGZPJMESA-N 367.449 2.971 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 91915247 ORVDZMAERCDXNZ-UHFFFAOYSA-N 366.509 2.953 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CC(Oc3ccccc3C)C1)C2 91829066 HYKABSTTXXNXCQ-INIZCTEOSA-N 353.418 2.845 0 50 FFAA COCCCN1CC2(CCN(C(=O)Cc3cc(C)ccc3C)CC2)CC1=O 95368893 JITKGLKAZUPIML-UHFFFAOYSA-N 372.509 2.724 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)c3cc(C)oc3C)C[C@H]21 96149527 UBMGWCSDKBJELF-FOIQADDNSA-N 371.389 2.608 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCN([C@H]3CCNC3)CC2)cc1 244723656 MFFSUHQLDNMQAS-NRFANRHFSA-N 363.505 2.706 0 50 FFAA COCCn1c(COc2cccc(Cl)c2F)nnc1[C@H]1C[C@H](N)C1 244817009 SSUBHSBVBCATGD-XYPYZODXSA-N 354.813 2.501 0 50 FFAA CCc1cc(CC[C@@H]2COc3ccccc3O2)nc(N2CCOCC2)n1 252485637 HAVMAHSIGBFFOS-QGZVFWFLSA-N 355.438 2.648 0 50 FFAA CC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1 534646464 ZSKILQDDLOAWQD-MRXNPFEDSA-N 361.486 2.732 0 50 FFAA CNc1ccc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C3CC3)cc2)nn1 534592621 HLEPDCMWSYISJC-GOSISDBHSA-N 362.437 2.800 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1-c1ccc(F)cc1 299799275 QSMCBOZJQMMSFS-CQSZACIVSA-N 373.432 2.531 0 50 FFAA CCOc1ccc(NC(=O)NCC2(N(C)C)CCN(C)CC2)cc1Cl 299770657 UHAQBWRDFUDSJL-UHFFFAOYSA-N 368.909 2.886 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCCc1nc(C2CC2)no1 584885026 ZAZTXYNPRZNOOO-GFCCVEGCSA-N 372.425 2.663 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)NCc3ccc4c(c3)cc(C)n4C)[C@@H]2C1 1875304100 ZVXQGZSXSXDIFV-VDHUWJSZSA-N 369.465 2.874 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cn(C)nc2OC2CCC2)cc1 1875380102 FMWYOSBQUAJJHL-UHFFFAOYSA-N 354.410 2.753 0 50 FFAA Cc1cc(C(=O)N2CC[C@](C)(CNC(=O)C3(C)CC3)C2)cc2nc[nH]c12 1875344222 HLUWGKWMBLKIJF-LJQANCHMSA-N 354.454 2.640 0 50 FFAA COc1ccc(-c2ccnc(N[C@@H]3C[C@@H](Cn4cccn4)C[C@H]3O)n2)cc1 1875399039 MIESRCUNYBHDQH-NIKGAXFTSA-N 365.437 2.600 0 50 FFAA Cc1cc(CN2CCC[C@@H](NC(=O)c3sccc3Cl)C2)nn1C 1875302716 DKEPZBUFWWTSLL-GFCCVEGCSA-N 352.891 2.838 0 50 FFAA CCCn1c(C)nc2cc(NC(=O)[C@H]3CCC(=O)N(CCOC)C3)ccc21 952964141 BOSORKCFNPICAV-HNNXBMFYSA-N 372.469 2.578 0 50 FFAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1)CO2 186197054 QKRFVBAZLZGPEQ-AEFFLSMTSA-N 367.449 2.777 0 50 FFAA Cn1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)c(-c2cccnc2)n1 752359342 SWWGHYAUNIROLS-LJQANCHMSA-N 362.433 2.726 0 50 FFAA CC(C)C[C@@H](CN)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170048374 RZWNCPKYKGANIJ-LBPRGKRZSA-N 356.348 2.859 0 50 FFAA COC(=O)C[C@@](C)(NC(=O)c1cccc2c1OCCO2)c1cccc(F)c1 170608922 SXOFCCNJDCLDNR-HXUWFJFHSA-N 373.380 2.805 0 50 FFAA COc1cccc(-c2nc(CN3CCCNC(=O)[C@H]3C)cs2)c1OC 189277325 IDOCXWCCJQATKL-GFCCVEGCSA-N 361.467 2.538 0 50 FFAA CCSc1ncc(CN2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cn1 1073259235 UTPOIQZAOMGPTF-WBVHZDCISA-N 372.542 2.717 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 194065425 MIMRKJKNLZINLF-JSGCOSHPSA-N 372.387 2.909 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 1529198929 QBMHDPFGBZPXGV-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA Cc1ccn2c(NC(=O)c3ccc(CN4CCC(C)CC4)o3)nnc2n1 1529168451 DVRLEHBHCYYOBX-UHFFFAOYSA-N 354.414 2.510 0 50 FFAA CC1CCN(C(=O)COc2ccc(CN3CCC[C@@H]3C3(O)CC3)cc2)CC1 1772806571 BIZMUKROAJSKNH-HXUWFJFHSA-N 372.509 2.813 0 50 FFAA COC(=O)CCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 11873320 NSXCTEZQCDGURU-UHFFFAOYSA-N 372.299 2.565 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@@H]2CCCCCN2C)CC3)c1 12445026 YMYMOTKNOAAQQB-IBGZPJMESA-N 368.481 2.844 0 50 FFAA CC[C@@H](COC)NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 12707544 NXWWWAQVVYLFLW-AWEZNQCLSA-N 356.426 2.616 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1 12715227 YXPPVBQJKFNGDK-AWEZNQCLSA-N 359.451 2.764 0 50 FFAA CC(C)=CCN1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO 19536288 BFXRIVYLTBLINE-KRWDZBQOSA-N 360.527 2.769 0 50 FFAA Cc1ccccc1CN1CCC2(CC1)CN(Cc1ncc[nH]1)C[C@@H]2C(=O)O 1857685054 NYUKOLMEJZXLEQ-GOSISDBHSA-N 368.481 2.517 0 50 FFAA Cc1cc(CN2CCC[C@@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)n[nH]1 1857712009 CUSVXHDWQOXQJO-HXUWFJFHSA-N 355.486 2.991 0 50 FFAA Cc1nscc1C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 332468745 TXXSRRZOHXLJSB-UHFFFAOYSA-N 363.870 2.632 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1cccs1 247846205 HDBFQPMMLIQWKO-WBVHZDCISA-N 369.490 2.839 0 50 FFAA C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)O[C@@H]1CCc2c(Cl)cccc21 2325721183 YGLPGOOLQHCHNI-YMRXKLBXSA-N 365.857 2.926 0 50 FFAA Cc1ccccc1C(=O)NC[C@@H](C)CNC(=O)Cc1cc(C2CC2)on1 2325867807 GGZWOOYXWJZTKC-ZDUSSCGKSA-N 355.438 2.585 0 50 FFAA CSCC(=O)N[C@@H]1CN(C(=O)c2ccc3cccnc3c2)CC1(C)C 2325870879 SSZMHUQDRJJFKG-MRXNPFEDSA-N 357.479 2.565 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2875341 FKOCEUMEIFFMLD-UHFFFAOYSA-N 352.843 2.819 0 50 FFAA COC1(CN(C)C)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 2356152671 VBYUEKMTYYTGTI-UHFFFAOYSA-N 364.877 2.933 0 50 FFAA COc1ccccc1N1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 3612218 KJMQNUMJLDQMKO-UHFFFAOYSA-N 366.461 2.912 0 50 FFAA O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680497 YNJCASOKPZBIPA-UHFFFAOYSA-N 351.453 2.570 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccc(Cl)cc2)CC1 6744327 BJHGQBRKEXFASB-HNNXBMFYSA-N 354.834 2.798 0 50 FFAA CC[C@H](Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C(N)=O 112539850 JIOIINPFHYMOBR-SFHVURJKSA-N 351.450 2.884 0 50 FFAA CN1CCC2(CCCN(C(=O)COc3ccc4c(c3)OCO4)CC2)CC1 67459900 WADATVPQURUNTK-UHFFFAOYSA-N 360.454 2.519 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1)c1cc(COc2ccccc2F)[nH]n1 67947159 QASVRKDNQUCIAT-QGZVFWFLSA-N 355.369 2.591 0 50 FFAA O=C1C[C@H](c2cccc(-n3cccn3)c2)c2cnn(Cc3cccnc3)c2N1 65458169 HIOAOHYVAPXMNM-GOSISDBHSA-N 370.416 2.986 0 50 FFAA O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2cc(CO)nn2)CC1 23214138 JAABTLPFGDCPDX-UHFFFAOYSA-N 369.347 2.658 0 50 FFAA COCCN1CCC(CN2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 65383068 IZISVZCEIRHFQP-UHFFFAOYSA-N 372.513 2.617 0 50 FFAA CC(C)c1cccc(-n2cc(O)c(C(=O)NC[C@H]3CCCC[C@@H]3O)n2)c1 469699477 GDTUGMMJISURGX-WBVHZDCISA-N 357.454 2.982 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCCN(C(C)C)CC3)c12 72430771 WRLZXSORYFLMGK-UHFFFAOYSA-N 365.485 2.654 0 50 FFAA O=C(NCCNc1cc(-n2cccn2)ncn1)Nc1cccc(Cl)c1 65364115 PRDOYFLVLKIRPP-UHFFFAOYSA-N 357.805 2.549 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 77470960 ZXKSFSKVLDPGEZ-HNNXBMFYSA-N 363.421 2.696 0 50 FFAA O=C(CCc1nc(-c2ccsc2)no1)N1CCC2(CCNCC2)CC1 252507363 WJESPDPVGMDUGX-UHFFFAOYSA-N 360.483 2.723 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)CSc1nc2cc(C)ccc2[nH]1 218909047 MHGLFOIRXIFOBU-LBPRGKRZSA-N 358.471 2.842 0 50 FFAA CC(=O)N1CCN(C(=O)c2ccc3ccn(Cc4ccccc4)c3c2)CC1 36357840 VCJICKYVTCZUPG-UHFFFAOYSA-N 361.445 2.994 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3ccc(OC)c(F)c3)C2)CCC1=O 77425369 NQSOCYJBZWZVFR-HXUWFJFHSA-N 364.461 2.685 0 50 FFAA CCn1c([C@H]2OCC[C@H]2C)nn(Cc2nc(C(C)(C)C)cs2)c1=O 328646109 SJDJUSJCCJFZDT-RISCZKNCSA-N 350.488 2.965 0 50 FFAA CCCCNC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)Cc2ccccc2C)C1 330689801 FGEGUOHRWYGULU-DLBZAZTESA-N 366.527 2.842 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1 366766196 CSRNRUARAOGKHP-YRNRMSPPSA-N 370.453 2.981 0 50 FFAA CCNc1ncc(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cn1 215430997 HTQAVHIMTCDPDH-INIZCTEOSA-N 365.441 2.733 0 50 FFAA O=C(CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1)NCc1ccccn1 72143762 FMYQVRSURAEWSP-KRWDZBQOSA-N 353.401 2.550 0 50 FFAA C[C@]1(c2ccccc2)CN(C(=O)c2ccccc2Cn2cncn2)CCO1 157243122 SCGYTYTZGVTGIG-OAQYLSRUSA-N 362.433 2.714 0 50 FFAA CCc1c(C)nn(CC(=O)NCCc2csc(-c3ccncc3)n2)c1C 219845007 YAJJHFYUUSRKDH-UHFFFAOYSA-N 369.494 2.940 0 50 FFAA CCc1cccc2c(C3CCN(C[C@@H](O)CN4CCOCC4)CC3)c[nH]c12 129048826 FUSBALZPPUHYQC-LJQANCHMSA-N 371.525 2.603 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)CCCC2)cc1 215439841 OEUNJXCUINWDBD-HXUWFJFHSA-N 372.465 2.950 0 50 FFAA O=C(COc1ccc(OCc2ccccc2)cc1)N1CC[C@H]2CC[C@@H](C1)N2 262616247 YVZWNVZKGVJMFE-MOPGFXCFSA-N 366.461 2.997 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 238149370 RFBAPSSIFUKBQD-GOEBONIOSA-N 356.353 2.584 0 50 FFAA CCc1nc2c(N3CCC(c4nnc5n4CCCCC5)CC3)ncnc2o1 77438205 HOFAGPDSBHDEGF-UHFFFAOYSA-N 367.457 2.882 0 50 FFAA CN1CCOc2ccc(NC(=O)N3CCc4ccccc4[C@H]3CO)cc21 132029359 ADDBXZYFKFOLPC-GOSISDBHSA-N 353.422 2.639 0 50 FFAA Cc1nn(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(=O)c2ccccc12 77437172 JYTDDMGDXWGSEY-MRXNPFEDSA-N 365.408 2.860 0 50 FFAA c1cc(-c2cc(N3CCC(Cn4ccnc4)CC3)n3nccc3n2)ccn1 72478916 PPLARJURNWZCJL-UHFFFAOYSA-N 359.437 2.904 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)NCc2c[nH]nc2-c2ccccc2)c1C 222348345 ARBFIAUAXATSEY-UHFFFAOYSA-N 365.437 2.799 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccc(Cn2cccn2)o1 82108068 AQPDYHDJSIPDLT-UHFFFAOYSA-N 361.405 2.982 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n1 289091345 LJLTXMJSUDFGGJ-AWEZNQCLSA-N 350.369 2.526 0 50 FFAA COc1cccc(CCNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1 426551287 NKPFHQIGPBRYOQ-QGZVFWFLSA-N 373.497 2.670 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2cnn(C(C)C)c2)CC1 82098228 VVENZOKMCFBROK-UHFFFAOYSA-N 373.453 2.971 0 50 FFAA Cn1cc(N2CCN(C(=O)c3sccc3-c3ccccc3)CC2=O)cn1 177846180 NDOSTDGEKPDSKR-UHFFFAOYSA-N 366.446 2.638 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 221167716 CTJWKDFQWINGFW-QGZVFWFLSA-N 356.426 2.656 0 50 FFAA CCN1C[C@@]2(CCCN(Cc3cnc(-c4ccccn4)nc3)C2)CCC1=O 82108932 GWVOCSBWJIDXGA-NRFANRHFSA-N 365.481 2.763 0 50 FFAA COc1cc(CNC(=O)N(C)Cc2ccc3c(c2)CN(C)C3)ccc1O 426397634 TYNIKMIOWFXELP-UHFFFAOYSA-N 355.438 2.688 0 50 FFAA CO[C@@H](CNC(=O)c1cnc(CN2CCCC2)s1)c1cccs1 97619539 FOMRLJUERJUWTL-LBPRGKRZSA-N 351.497 2.918 0 50 FFAA COCCn1ccnc1C1CCN(Cc2ncc(C)c(OC)c2C)CC1 92081386 GMQUCVRMJZYDCX-UHFFFAOYSA-N 358.486 2.930 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1N1CCNC1=O 91526650 LQTIUMWBEKFNOA-UHFFFAOYSA-N 355.360 2.939 0 50 FFAA O=C(CCN1CCCC1=O)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 97527971 RGOGZCVAAXINRC-LEWJYISDSA-N 352.434 2.590 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CC1CCCCC1)C2 91493414 YTWYMXRVEUKNFI-DLBZAZTESA-N 356.470 2.510 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@H]2COc3cc(OC)ccc3C2)c1C 91691577 PVXZBIKXZVTTMI-MRXNPFEDSA-N 357.454 2.786 0 50 FFAA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)OC 239046982 GAWNZIMNXARRSY-YRRQLQLVSA-N 363.435 2.867 0 50 FFAA COCC[C@]1(C(=O)O)CCCN(Cc2ccc(OC)c(COC)c2)C1 91657289 VUOXQLJIBKPZBC-LJQANCHMSA-N 351.443 2.545 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)no1 91574615 QRSJTDWCWKRIRW-LBPRGKRZSA-N 360.483 2.522 0 50 FFAA CSc1cccc(NC(=O)NCC[C@@H]2CCCCN2S(C)(=O)=O)c1 96131499 HPZYQJVNRIZQJU-AWEZNQCLSA-N 371.528 2.734 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91691114 OWVACMOUQZZOQY-ZWKOTPCHSA-N 356.466 2.574 0 50 FFAA C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H]1CCNC1 237539363 VEGZQHDQSHMYRC-GPCCPHFNSA-N 355.301 2.958 0 50 FFAA Cn1cnc2cc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)ccc21 97463482 QETABOAXZHBPHQ-FQEVSTJZSA-N 363.465 2.925 0 50 FFAA COc1cccc(O[C@@H](C)C(=O)N2CC(Oc3ccccc3OC)C2)c1 92022505 FJJKMHPIRODBFC-AWEZNQCLSA-N 357.406 2.761 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCN1c1ccccc1 95522668 WMBOXUASLUDUAN-SFHVURJKSA-N 368.408 2.659 0 50 FFAA COc1ccc(OC)c(CCNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1 181123737 DSIQLTKZJCJBKH-MRXNPFEDSA-N 350.459 2.892 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)C(=O)c1ccco1 240662458 PLHYRHPGUWPGFR-JOQOYGCGSA-N 350.374 2.639 0 50 FFAA Cc1ccc(N2C[C@H](NC(=O)c3c(C)oc4c3C(=O)CCC4)CC2=O)cc1 244673841 HWNWXARAPFTWLK-CQSZACIVSA-N 366.417 2.951 0 50 FFAA O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1csc([C@H]2CCCO2)n1 182421904 IFCUKNAXVRBDKA-CYBMUJFWSA-N 360.370 2.623 0 50 FFAA COc1ccccc1-c1ncc(CN2CCN(CC(F)(F)F)CC2)cn1 430004918 LZJHRYOZCAIQSP-UHFFFAOYSA-N 366.387 2.832 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)CSCCN1CCCC1 252495853 PCXOOXOQANYHAL-UHFFFAOYSA-N 352.504 2.515 0 50 FFAA CC(=O)NCC1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 298592311 MYRCEKCRBWMINN-UHFFFAOYSA-N 361.442 2.938 0 50 FFAA O=C(N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1cc(Cl)cnc1O 253535248 IWRSXMZPTZBKCR-CYBUAMNDSA-N 368.767 2.961 0 50 FFAA Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1 534587244 HQOHABHPBUMWCO-LBPRGKRZSA-N 350.426 2.673 0 50 FFAA Cc1cc(CN(C)C(=O)c2cccc(-c3nccnc3N(C)C)c2)on1 534666946 OFSGETXPLHIGMF-UHFFFAOYSA-N 351.410 2.778 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)N(C)Cc1cnn(C)c1C 299781150 VSXSTJFDWCQZHU-UHFFFAOYSA-N 368.441 2.646 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(-c2cnccn2)c1 299783326 ZHGQAOIPQOSLKS-HXUWFJFHSA-N 373.460 2.933 0 50 FFAA NC1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)CC1 826956734 PYXZFOVOOXIFHW-GOSISDBHSA-N 364.921 3.000 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)NCc3nncn3C(C)C)C2)c1 670452546 ROPDIPISEONSPO-CQSZACIVSA-N 373.457 2.575 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@@H]2c2nccn2Cc2ccccc2)CC1 952890742 HYVMGEADUNAOIK-INIZCTEOSA-N 367.449 2.794 0 50 FFAA C=CC(=O)N(CC)CC(=O)NC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1875371566 FVMLDRXVSGYVGQ-UHFFFAOYSA-N 358.335 2.984 0 50 FFAA C=CC(=O)NC[C@H]1CN(C(=O)c2cc3cc(C)ccc3s2)CCCO1 1875386447 QOQMUXVLNJGIIT-HNNXBMFYSA-N 358.463 2.743 0 50 FFAA COC(=O)[C@@H](C1COC1)N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 1875302075 YZHLDMZOJGNKQF-BDJLRTHQSA-N 373.371 2.845 0 50 FFAA C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccoc2)C(C)(C)C1 1875407405 ZHJKVRGZMBYJRX-QSGXVVIFSA-N 358.482 2.858 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1[nH]ccc1C1CC1 1875401671 OJKLBVOUTFVCGV-HOCLYGCPSA-N 355.442 2.823 0 50 FFAA Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CC[C@H]1CCCCO1 952988419 DHJYARGVTMTWHA-QGZVFWFLSA-N 363.483 2.760 0 50 FFAA COc1ccc2c(c1)CN(C(=O)NCc1ccncc1OCC(F)F)C2 888093926 IQQASPUYZIUKKC-UHFFFAOYSA-N 363.364 2.960 0 50 FFAA CN(C)c1cc(CNC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)ccn1 888103257 SGWWQVIMFQCAKS-SFHVURJKSA-N 358.486 2.638 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565528750 FWUKGFIFYMXQIN-BEFAXECRSA-N 355.482 2.616 0 50 FFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)C2 1565513903 PJOYAXKIBZTJRC-MSOLQXFVSA-N 357.433 2.771 0 50 FFAA Cc1cc(I)cnc1NC(=O)[C@H]1CCO[C@H](C)C1 272068018 KYJUPUORPJSEJG-ZJUUUORDSA-N 360.195 2.748 0 50 FFAA C[C@@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3ccccc3)s2)CC1 301441509 NEGCMZQENJXIDH-AWEZNQCLSA-N 356.495 2.599 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)C2=Cc3ccccc3OC2)o1 275405610 QIONGXARTLPLKD-HNNXBMFYSA-N 355.394 2.569 0 50 FFAA Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CC(C)(C)C3(C)C)cc12 170650559 JTEWGHDWWWWTKM-NSHDSACASA-N 362.499 2.709 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)CC1 186644386 GTFFBYIXXOLLCP-NSHDSACASA-N 358.891 2.903 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc1C 219405896 NUOSBVFWMNZMCG-MSOLQXFVSA-N 356.466 2.867 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN21 1616081277 AOONYSMFRQTBQK-UXHICEINSA-N 358.461 2.697 0 50 FFAA CCCSc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(CC)cc1)C(=O)N2 1848442450 QQLSCUIPVKNFKF-CYBMUJFWSA-N 373.482 2.940 0 50 FFAA CC(C)c1nccc(C(=O)N2C[C@@H]3CNC[C@]3(CCc3ccccc3)C2)n1 1772707983 ACMDGUCOPDVBHS-PGRDOPGGSA-N 364.493 2.894 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)NCc2ccncc2)c2c(C)cc(=O)oc2c1 5243763 YKVYZWSECUUYOZ-AWEZNQCLSA-N 352.390 2.889 0 50 FFAA COc1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 12441792 MMJLPZUDRFQVFD-OAQYLSRUSA-N 356.466 2.950 0 50 FFAA COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccccc1 13553349 AIJIQCBYMBZLJD-UHFFFAOYSA-N 358.463 2.991 0 50 FFAA in-vitro O=C1CCCCN1CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1 15072542 ZCDKSKIZZWZPOB-IBGZPJMESA-N 358.482 2.639 0 50 FFAA Cc1ccc(-n2cc(CN(C)C[C@H](O)CO)c(-c3cccc(C)c3)n2)cc1 15079429 QAGVLMBALFVJSG-NRFANRHFSA-N 365.477 2.941 0 50 FFAA COc1ccc(F)c(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 19732563 XGAKBSKAYJLVDH-IBGZPJMESA-N 358.457 2.903 0 50 FFAA S=C(NC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19810134 JJHBNJFCOJVPQX-UHFFFAOYSA-N 361.511 2.740 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OC(F)F)c1 19834162 FXCUGEBQRGLXKF-UHFFFAOYSA-N 367.348 2.869 0 50 FFAA O=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3ccccc3)cc21 169754480 NHNYXHWPWIXPKR-SFHVURJKSA-N 354.360 2.860 0 50 FFAA CCn1nc2c(c1C(=O)N1CCOc3ccccc3C1)C[C@@H](C)O[C@H]2C 1857528306 WSYMOJGKVWHTEH-KGLIPLIRSA-N 355.438 2.960 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)c2cc(C)ncc2OC)CC1 1857680679 MMWXVOHRASMECA-UHFFFAOYSA-N 355.438 2.760 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3ncnc4ccsc34)C1)CC2 1857709224 LSEQVGMLTRWZIY-SFHVURJKSA-N 353.451 2.980 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3noc(C)n3)cc2)CC[C@H]1N 1857722676 NJBLNDUAYPRUBN-RCCFBDPRSA-N 372.469 2.584 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCc1noc([C@H]2CCCO2)n1 1857727346 OYEOUNURHDIHIS-CQSZACIVSA-N 367.409 2.592 0 50 FFAA COC1CCC(CC(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)CC1 328611536 LYVPPALGUNTCEQ-NRXISQOPSA-N 351.447 2.688 0 50 FFAA CCC(CC)(CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)C(=O)O 236846076 BFMCYTJWDOBHNV-QGZVFWFLSA-N 358.438 2.958 0 50 FFAA O=C([C@H]1CC12CCS(=O)(=O)CC2)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333995779 NKTATHUWIFGUSV-MSOLQXFVSA-N 373.518 2.998 0 50 FFAA Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CC[C@](F)(CO)C1 802332995 IMRNYCXJEFMJNC-MRXNPFEDSA-N 356.369 2.943 0 50 FFAA C[C@]1(c2ccc(CNC(=O)C3(C4CCCCC4)CC3)cc2)NC(=O)NC1=O 906506038 VRAJMGQKBOXAML-HXUWFJFHSA-N 369.465 2.718 0 50 FFAA CC[S@](C)(=O)=NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 925854095 LDIZIJNRARDIHJ-DEOSSOPVSA-N 363.405 2.961 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cn2)C[C@@H](C)O1 836717992 SDOOZYPGDZDFLE-CHWSQXEVSA-N 355.394 2.646 0 50 FFAA CCN1CCN=C1NCc1cc(Cl)cc(I)c1 2325863560 NWNRDXWXAMHNOZ-UHFFFAOYSA-N 363.630 2.726 0 50 FFAA Oc1nc(C2CC2)nc2c1CCC21CCN(c2ccnc3[nH]ncc23)CC1 2100543108 LVXNSEMYGHLAIT-UHFFFAOYSA-N 362.437 2.815 0 50 FFAA CC(C)(C)n1nnc(CCN2CC[C@]3(c4ccccc4)[C@H](C2)C3(F)F)n1 2325756520 FYHIAIKIGGKFOM-YJBOKZPZSA-N 361.440 2.879 0 50 FFAA Cc1nc2ccccn2c(=O)c1CCN1CCO[C@@](C)(C(F)(F)F)CC1 2325773026 KVPYZFMMVMRIJL-QGZVFWFLSA-N 369.387 2.589 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)sc1C 2325842616 CKRXJLDGNYVIGG-CYBMUJFWSA-N 360.483 2.856 0 50 FFAA O=C(Cc1cc(C2CC2)on1)NCC[C@H]1CCCN(C(=O)C2CC2)CC1 2325866949 GBCQGLZYNUTDPC-CQSZACIVSA-N 359.470 2.640 0 50 FFAA C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCC[C@H]1c1nn[nH]n1 900393915 RVJIYPFCHOWRNT-HOCLYGCPSA-N 350.426 2.782 0 50 FFAA O=C(CNC(=O)OCc1ccccc1)Oc1ccc2ccc(=O)oc2c1 625824 VLZOPJFXLQTBMZ-UHFFFAOYSA-N 353.330 2.625 0 50 FFAA biogenic CC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)c1 665925 CMLGJEBKFSJHQF-ZDUSSCGKSA-N 360.435 2.503 0 50 FFAA COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 714535 RFNAORPUALJXNX-UHFFFAOYSA-N 369.826 2.717 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 858073 AATKICJGJTXIHV-NVXWUHKLSA-N 354.406 2.876 0 50 FFAA COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)c1 1116566 BTVWMYKMBLTIJH-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA CC(C)(C)c1csc(NC(=O)[C@H](CC(=O)O)NCc2ccco2)n1 2857247 DEQDDVZZYFDHPD-NSHDSACASA-N 351.428 2.605 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O 4121972 VTCOWANFFVHOAV-CYBMUJFWSA-N 354.790 2.634 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)C2(c3ccc(C)cc3)CC2)C1=O 2356168269 WXXALZIDGHNPAG-QFIPXVFZSA-N 370.493 2.657 0 50 FFAA Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)NCc2cccnc2)c1C 4749931 VTDDNLUBXGXEOC-AWEZNQCLSA-N 359.451 2.807 0 50 FFAA CCN(CC)CCn1c(=O)n(C2CCCCC2)c2ncc(C(=O)O)cc21 55168793 SCOHAZPCQCTLIY-UHFFFAOYSA-N 360.458 2.743 0 50 FFAA Cc1nn2c(nnc3c(O)nc(N4CCCCC4)nc32)c1-c1ccccc1 22607268 KOSASDATQKFQCA-UHFFFAOYSA-N 361.409 2.739 0 50 FFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCc2c([nH]c3ccccc23)C1 20599406 QHJHTUTWTFAZQY-JOCHJYFZSA-N 367.493 2.680 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)cc1OC 116996837 HXXGNLCRKCLZIE-OAHLLOKOSA-N 373.457 2.856 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)NC(=O)Cc2noc3ccccc23)c(F)c1 67690969 VUMNWJMUZUPWGY-LBPRGKRZSA-N 355.369 2.961 0 50 FFAA CCCn1ncc(-c2c[nH]c([C@H]3CC(=O)N(Cc4cccnc4)C3)n2)c1C 20208202 UBXJAWCGCSBGEY-INIZCTEOSA-N 364.453 2.903 0 50 FFAA Cc1nc(N)ncc1C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67855667 MFNXFGMWKIHWSC-UHFFFAOYSA-N 371.347 2.763 0 50 FFAA Cc1cc(C)nc(-n2cc(C(=O)N3CCC[C@H](C(=N)O)C3)c(C(C)C)n2)n1 330922740 RULFOTQACJJBCL-AWEZNQCLSA-N 370.457 2.790 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 252510895 ZQWJVAMXFMAQBK-LBPRGKRZSA-N 374.391 2.806 0 50 FFAA Cc1cccnc1-n1nc(C2CC2)nc1Cn1nc(C)c2ccccc2c1=O 65394459 LNAQPZBLZQTPCA-UHFFFAOYSA-N 372.432 2.915 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2cc3ncc(Br)cn3n2)cc1 2792297 MUMDFEYLBGHVTK-UHFFFAOYSA-N 374.198 2.703 0 50 FFAA CCn1cc([C@@H](C)NC(=O)c2nn(C)c(C)c2Br)c(C)n1 2758719 GZXYGQPQQACDFG-MRVPVSSYSA-N 354.252 2.507 0 50 FFAA c1ccc(Cn2cccn2)c(CN2CCCC[C@H]2CN2CCOCC2)c1 77471962 IURCHSIRQBCKNG-NRFANRHFSA-N 354.498 2.618 0 50 FFAA O=C([C@@H]1CC12CCN(S(=O)(=O)c1ccsc1)CC2)N1CCCCC1 329052965 HMMPAVKWYMYXDJ-HNNXBMFYSA-N 368.524 2.551 0 50 FFAA Cc1cc(C)n(C2CN(c3nc(-c4ccccn4)nc4c3c(C)nn4C)C2)n1 72439865 NTYSAENXGPTXSM-UHFFFAOYSA-N 374.452 2.608 0 50 FFAA CC(C)n1cnnc1C1CCN(C(=O)c2cc(O)nc(C3CC3)c2)CC1 329976175 YLMRNCPSDPSUTP-UHFFFAOYSA-N 355.442 2.857 0 50 FFAA COc1cc(CNC(=O)c2ccccc2S(C)(=O)=O)c2ccccc2n1 172767183 GOHPXULFFDBKGC-UHFFFAOYSA-N 370.430 2.577 0 50 FFAA CN(C)c1ccc(-c2cncc(C(=O)NCc3nc(CO)cs3)c2)cc1 485351231 UVLYMPQAYFKMMS-UHFFFAOYSA-N 368.462 2.693 0 50 FFAA CS(=O)(=O)c1csc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 158759519 ROZLRZQLJOBPLR-CQSZACIVSA-N 364.492 2.868 0 50 FFAA O=C([C@H]1CCCCN1C(=O)c1ccco1)N1CCOc2ccccc2C1 363925412 QVLVQBFHLJQITI-MRXNPFEDSA-N 354.406 2.696 0 50 FFAA CC[C@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1)n1cccc1 72474839 PHNJOVAFMYFBCV-QGZVFWFLSA-N 356.422 2.964 0 50 FFAA COCCc1noc([C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 72159306 NPXFBRIZMIHVRN-CYBMUJFWSA-N 357.414 2.621 0 50 FFAA Cc1cn2c(=O)cc(CN3CCC[C@H]3c3nc(C(C)C)no3)nc2s1 77407145 YPNQLOIBDXKFLA-ZDUSSCGKSA-N 359.455 2.908 0 50 FFAA COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CCNC2)c1 237119234 BJIFBCFMZVXJLS-MRXNPFEDSA-N 354.406 2.600 0 50 FFAA Cn1nccc1[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333538297 RMELONRLPHPNCR-KDOFPFPSSA-N 355.442 2.736 0 50 FFAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 237479327 FXBVZGASKKUORA-VHSXEESVSA-N 354.369 2.592 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(F)ccc(F)c1F 219618337 TVFNXQYMDCZFGJ-HZPDHXFCSA-N 357.372 2.903 0 50 FFAA OC[C@]1(NCc2ccc(Cl)cc2-n2cncn2)CCc2ccccc21 373597658 VDFKHTLEPNNOMC-LJQANCHMSA-N 354.841 2.844 0 50 FFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@H]1c1cc[nH]n1 376612731 MXWDSRWGXBUXMP-INIZCTEOSA-N 351.414 2.809 0 50 FFAA CC(C)Cn1cnc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 174946810 RLBANUGCVVEITK-UHFFFAOYSA-N 373.438 2.503 0 50 FFAA COC(=O)c1cc(CN2CCCC[C@H]2CCN2CCCC2=O)ccc1O 77516369 FBOYCWPNNGIJOP-INIZCTEOSA-N 360.454 2.546 0 50 FFAA C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cnc2ccccc21 77503620 PRVYXDRJMTVDNO-CQSZACIVSA-N 369.856 2.995 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1 48488298 HLYMDOQDIGJYGU-UHFFFAOYSA-N 362.861 2.945 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@H](C(N)=O)C(=S)N1 85376195 VYAIJMODADYJEZ-OAHLLOKOSA-N 357.479 2.882 0 50 FFAA C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(-n2cccn2)cc1 175418545 UGEICTRZDXSEGN-AWEZNQCLSA-N 363.421 2.532 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772452 KJYIVXDPWBUJBQ-OBHBYKKGSA-N 368.470 2.978 0 50 FFAA in-vitro COCc1ncc(-c2noc([C@@H]3CCc4cc(C)ccc4O3)n2)c(N)n1 288943243 APEKEZQLTFTPAW-AWEZNQCLSA-N 353.382 2.630 0 50 FFAA Cc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(F)c1 82096267 XBQOUBYUMVVJAO-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA COc1cccc2c1OCCCN(C(=O)NCCn1nc(C)cc1C)C2 426373578 GRYALTPTNPHLMT-UHFFFAOYSA-N 358.442 2.503 0 50 FFAA Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)s1 91986709 IPRMAWOUGJUMSF-ZWKOTPCHSA-N 370.522 2.820 0 50 FFAA CN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCCn1cncn1)CC2 95509226 BJQHLDQOPZXHEE-LJQANCHMSA-N 367.497 2.539 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccc(Cl)cc2)CC1 91779799 WFWCQIMBJDWGGN-CYBMUJFWSA-N 362.857 2.721 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)NCCCc3ccc(O)cc3)cc2N(C)C1=O 426517563 JTGRXZRTGZMLAY-ZDUSSCGKSA-N 369.421 2.890 0 50 FFAA CN1CC2(CCN(Cc3nccn3C)CC2)C[C@H](c2ccccc2)C1=O 92077290 WZRHAGSDDIMWLQ-GOSISDBHSA-N 352.482 2.648 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91819791 ZBKIJRHTEQCUHQ-MRXNPFEDSA-N 364.453 2.563 0 50 FFAA COc1cc(C)ccc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)O)C2)CC1 91691588 JRNOKWVRNNLPBP-INIZCTEOSA-N 374.481 2.681 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCC[C@@H]3CCCCN3CC(C)C)C2)n1 426493108 XGWNZNOGYMLOKP-SFHVURJKSA-N 361.534 2.967 0 50 FFAA CC[C@H](O)Cn1nc(Cc2ccccc2OC)nc1-c1ccc(C)n1C 96180286 WUACRZJZZQRQKZ-INIZCTEOSA-N 354.454 2.962 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(S(C)(=O)=O)cc1)C2 95354269 XYDQQDDNYHIKJJ-RBUKOAKNSA-N 362.539 2.953 0 50 FFAA Cn1c(Cn2cccn2)nnc1C1CCN(c2nc3ccccc3o2)CC1 91769327 QTTWUZXWRWDYDC-UHFFFAOYSA-N 363.425 2.585 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)o1 91664762 AUTCWEUSELBMLD-MRXNPFEDSA-N 366.421 2.948 0 50 FFAA CCc1n[nH]cc1C(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244794781 QTJNJXBUYMMKBW-FRIZHTMISA-N 350.422 2.762 0 50 FFAA CC(=O)N1CCc2sc(C(=O)Cn3c(=O)sc4ccccc43)cc2C1 163279930 XYNSZJFPAMESHS-UHFFFAOYSA-N 372.471 2.912 0 50 FFAA COc1cc(CC(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)ccc1O 296047489 FNOFESWQHAEORD-MRXNPFEDSA-N 369.465 2.882 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 860875812 IVZNTUUKJOKUBJ-AWEZNQCLSA-N 369.234 2.896 0 50 FFAA O=C(Nc1cccc2c1OCCO2)N1CCCN(c2ccccn2)CC1 184085747 WCTMFALHZLMPBX-UHFFFAOYSA-N 354.410 2.597 0 50 FFAA Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCOC[C@H]1C(=O)O 299750234 MZJXFURCKMAKHO-QMMMGPOBSA-N 372.855 2.759 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 299747143 CCHKOIYYXZQFDD-XQQFMLRXSA-N 353.365 2.551 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)nn1C 534661936 JMWKDSFALQCFHF-GOSISDBHSA-N 350.422 2.596 0 50 FFAA O=C(O)CCc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cc1 534662616 YWAUFBSRLKZKQR-HXUWFJFHSA-N 355.434 2.736 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)N(C)Cc1ccc(OC)c2ncccc12 534663395 BGGUEEAFBKRICZ-CYBMUJFWSA-N 368.441 2.757 0 50 FFAA CCOc1cccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 299756178 IXQMSPTTYNAGLL-UHFFFAOYSA-N 364.453 2.700 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 828059956 AXLUQBZMXLLCED-LLVKDONJSA-N 351.410 2.636 0 50 FFAA Cn1ccnc1-c1ccccc1C(=O)NCCc1nc(-c2ccccn2)no1 670473326 CWJPNIRBUWUYIK-UHFFFAOYSA-N 374.404 2.505 0 50 FFAA O=C1Cc2cc(CCCC(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)ccc2N1 268958241 ZKQFHPKTPBHBIV-JLSDUUJJSA-N 370.449 2.748 0 50 FFAA O=C(NC[C@@H](c1ccccc1F)N1CCOCC1)N1CC[C@H](C2CC2)C1 1875266043 TVRYFJGSAXDCJR-LPHOPBHVSA-N 361.461 2.641 0 50 FFAA O=C(O)[C@@]1(c2ccc(F)cc2)CCN(CC[S@@](=O)c2ccccc2)C1 1875304030 XAFQXOPDXSXGQT-UQBPGWFLSA-N 361.438 2.662 0 50 FFAA O=C(Nc1ccc(CN2CCCCC2)cn1)[C@@H]1COc2ccccc2O1 1875320798 LGEZGYRNLZSOKT-SFHVURJKSA-N 353.422 2.846 0 50 FFAA CC1(C)[C@@H](C(=O)O)CCN1S(=O)(=O)c1cccc([C@@H]2CC2(F)F)c1 1875395426 XIPLDCXWABGVSK-OLZOCXBDSA-N 359.394 2.683 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(Nc4ccccn4)CC3)n[nH]c21 1875395007 GIICCIJKSQWTIF-OLZOCXBDSA-N 355.442 2.544 0 50 FFAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@H](C)C3=CCCCC3)C2)c1C 1875398042 YPRUMUZOEUEMJY-SJLPKXTDSA-N 371.529 2.852 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)c1cc(CC(C)C)nn1C 952974501 BRZZUGDCBHWYBX-UHFFFAOYSA-N 371.485 2.679 0 50 FFAA Cc1cnc(C(=O)NC[C@@H]2CCCN(C/C=C/c3ccccc3)C2)cn1 952966249 DABZMNSYTARILK-SQUITACLSA-N 350.466 2.940 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@H]3C[C@H](c4ccccc4)CC[C@@]3(C(=O)O)C2)n1 1565512692 HWOVZNJXZJAEAV-JXXFODFXSA-N 353.422 2.829 0 50 FFAA O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccc3c2CCC3)CC1 194451080 PMYYYGKQVCAGNC-UHFFFAOYSA-N 366.436 2.842 0 50 FFAA Cc1nn(C)c2ncc(S(=O)(=O)N3CCc4ccc(Cl)cc43)cc12 195446854 RGONRIVCRYHIBD-UHFFFAOYSA-N 362.842 2.682 0 50 FFAA CNc1nnc(Cc2csc(NC(=O)c3ccc(N(C)C)cc3)n2)s1 1506419699 VKJLDLCFOQMORN-UHFFFAOYSA-N 374.495 2.945 0 50 FFAA CN(Cc1cnc2ccccc2n1)C1CCN(C(=O)c2cccnc2)CC1 1506406011 IVDGZMPXNIGBDB-UHFFFAOYSA-N 361.449 2.761 0 50 FFAA COc1ccc(NC(C)(C)C(=O)N2CCN(c3ncccc3C)CC2)cc1 1506397845 XPFCIPXRGRSLFC-UHFFFAOYSA-N 368.481 2.938 0 50 FFAA CCCC[C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)C[C@@H](C2CC2)O1 1616084580 RAXKYKMLKLEYKH-LPHOPBHVSA-N 369.465 2.593 0 50 FFAA C[C@H](CCc1ccc(O)cc1)N1CCCN(C(=O)c2ccncc2)CC1 1775980698 HQYPTJXEKQOZNG-QGZVFWFLSA-N 353.466 2.956 0 50 FFAA CCOC(=O)C1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 5014656 KSKIURLXBWMYGP-LJQANCHMSA-N 357.450 2.855 0 50 FFAA CCc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12025643 ZGAOARJWDKIYPJ-MRXNPFEDSA-N 363.417 2.921 0 50 FFAA O=C(Cc1cccnc1)NCc1cccnc1N1CCc2ccccc2C1 12448799 BXJYDBSMZHDNGE-UHFFFAOYSA-N 358.445 2.898 0 50 FFAA O=C(Nc1ccc(Cn2cncn2)cc1)c1cn2cc(Cl)ccc2n1 13688841 IKDKAPWRLOYKOO-UHFFFAOYSA-N 352.785 2.880 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(C)c1)C2 19228230 NVXSVJTUCVOXCK-QGZVFWFLSA-N 354.498 2.950 0 50 FFAA O=C(CN1CCOCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 19369127 NIAZLCPHEGUPGY-UHFFFAOYSA-N 358.825 2.842 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2c(C)cc(O)cc2C)cn1 1857694820 JNJGGSNAYAXAMY-UHFFFAOYSA-N 353.426 2.584 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@H](COC)Cc2ccccc2)cn1 328620787 ACLQLUKGOURRMX-NSHGMRRFSA-N 356.470 2.910 0 50 FFAA N[C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 333313655 SHSGPIJVEKBINZ-DOTOQJQBSA-N 354.853 2.767 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3s2)CC1 238064012 BZMHHGOKGDMHSY-CQSZACIVSA-N 359.451 2.588 0 50 FFAA O=C1CCSc2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2N1 361925410 SESYSXDHJZHPNY-UHFFFAOYSA-N 356.403 2.749 0 50 FFAA O=S(=O)(NCCc1ccncc1)c1cc(Br)ccc1F 1113138 ITNVNHHHPICJGA-UHFFFAOYSA-N 359.220 2.504 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3CC[C@]4(C(=O)O)CCCC[C@H]34)cc2)n1 2325784549 SDSJLVMFBKWEAE-FXAWDEMLSA-N 368.437 2.744 0 50 FFAA CC(C)CC(=O)N(C)[C@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868186 RSJGYKTWNISBEM-CSNJMZFVSA-N 351.535 2.649 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@@H]2c2ncccn2)cc1 2325889929 DMMFBVDPIIZXGT-QGZVFWFLSA-N 350.422 2.993 0 50 FFAA COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1[C@@H](C(=O)OC)CC2 622567 QMSVQYZNCHDRAP-LBPRGKRZSA-N 373.430 2.919 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1 986529 DHUQTONICQPUCG-UHFFFAOYSA-N 369.899 2.517 0 50 FFAA CCOC(=O)C1=NN[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 1186914 KZBULHORPYLMSU-IAGOWNOFSA-N 352.390 2.553 0 50 FFAA O=C(c1ccccn1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356165245 ZKZDFBOHORNKKF-QFIPXVFZSA-N 363.461 2.922 0 50 FFAA O=C(CC1=CSC2=NCCCN12)NC[C@H]1CCOc2ccccc2C1 102646208 CSESLWNWPJZMGQ-AWEZNQCLSA-N 357.479 2.784 0 50 FFAA Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(C)CC3)nc2C1 20101988 PAYFMADHUGAQKP-INIZCTEOSA-N 350.466 2.758 0 50 FFAA Cc1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1C 109317691 JKDLKYCMJSYTOL-KRWDZBQOSA-N 351.406 2.773 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)no1 55252640 XCKHVFWOWWUHKS-SFHVURJKSA-N 368.481 2.718 0 50 FFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(COc2cccc(F)c2)[nH]n1 67982457 QXBXLKHNCVYDLJ-RBUKOAKNSA-N 367.380 2.516 0 50 FFAA COc1ccc(CN2C(=O)CC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)cc1 12042201 PTKJRUVEZVDZAL-AEFFLSMTSA-N 368.433 2.942 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 328603942 HOHDOQAMAODYEV-OAHLLOKOSA-N 356.825 2.767 0 50 FFAA Cn1cncc1[C@H]1C[C@H](NCc2nc3cc(Cl)ccc3n2C)CCO1 328625728 DLPDCCDLROXJNM-CXAGYDPISA-N 359.861 2.970 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc4nonc4c3)C2)c1 77342611 OTRCENAHTPLFAE-ZDUSSCGKSA-N 353.378 2.870 0 50 FFAA COC(=O)c1cccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1O 436802926 HANWWCOLCFMCFL-CYBMUJFWSA-N 368.389 2.709 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cn1 72477816 SUVKLYMVOSVXAV-AWEZNQCLSA-N 358.417 2.979 0 50 FFAA Cc1nccn1[C@@H](C)C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72427814 INUVUGGHXYCQCD-MEOONVRBSA-N 356.514 2.866 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@H]1c1ncc(-c2ccccc2F)[nH]1 363624103 XIKRLNOCQQVXMN-HNNXBMFYSA-N 353.357 2.689 0 50 FFAA Cn1cnc2c(C(=O)NC[C@H]3CCN(c4ccc(F)c(F)c4)C3)ccnc21 367491617 VTFYDDLKQXAHQW-GFCCVEGCSA-N 371.391 2.503 0 50 FFAA COc1ccc(C(=O)N2CCCOc3c(cccc3OC)C2)c(OC)n1 215579069 KAXZKOHAQPVJOO-UHFFFAOYSA-N 358.394 2.532 0 50 FFAA O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCN(C(=O)c2ccncc2)C1 172761460 QFAYIUPEFXLMTB-AWEZNQCLSA-N 356.451 2.906 0 50 FFAA CCNc1ncc(C(=O)NCc2cccnc2-n2cnc3ccccc32)cn1 71314912 PFMGQTVAGGGOHA-UHFFFAOYSA-N 373.420 2.572 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)cc2n1 214999088 KFYVAAKHWIBMDX-LJQANCHMSA-N 354.450 2.998 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N3CCC([C@H]4CCCOC4)CC3)cc2=O)cc1 370147464 CXUPEOLYOJQTIZ-KRWDZBQOSA-N 369.465 2.753 0 50 FFAA O=C(NCc1cccc2cccnc12)[C@@H]1CCCCN1C(=O)c1cccnc1 172903252 SVQSBURTXKRFRL-IBGZPJMESA-N 374.444 2.941 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)[C@H](C)n3nc(C)cc3C)nc2c1 219448125 UINFOBATJOKLDC-AWEZNQCLSA-N 355.442 2.647 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCC(=O)N1CC1CC1 72143077 PPQVTBKQQREHPY-MRXNPFEDSA-N 358.438 2.524 0 50 FFAA C[C@H](C(=O)N1CCCC[C@H]1c1cccn1C)n1nnc(-c2ccccc2)n1 173543885 SDLWFEARGJKFBJ-QAPCUYQASA-N 364.453 2.993 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 77356747 KWROTSNOBNTCBP-MRXNPFEDSA-N 355.438 2.828 0 50 FFAA O=C(Cc1ccc(N2CCNC2=O)cc1)N1CC[C@@H](c2ccccc2F)C1 77286994 PQPYOMAPXRTHAB-MRXNPFEDSA-N 367.424 2.914 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 221309663 XZBWGUVERCAPDA-LPHOPBHVSA-N 371.456 2.986 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 82146312 PMVJELPWSHEUEK-NRFANRHFSA-N 367.449 2.606 0 50 FFAA O=C(O)c1cccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 263508468 XXXZKCBQEDMPBS-OAHLLOKOSA-N 369.339 2.933 0 50 FFAA O=C(Cn1cnc2ccccc21)N1CCC(OCc2ccccn2)CC1 223025586 GTPXUACDLAOJMW-UHFFFAOYSA-N 350.422 2.639 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1c[nH]cn1 82148046 GTRQCNGJVJGNST-OAQYLSRUSA-N 370.472 2.996 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n[nH]1 289164524 JTTZZZFDXTVGNT-WBCYEJBOSA-N 368.481 2.863 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 82134701 XHJNEIYFXKREER-CYBMUJFWSA-N 363.845 2.917 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)n1 82230306 PKBGOOIVDYRSEJ-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA Cc1ccc(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)cc1OCCN 426402130 YAPJXZMUWGVTOJ-UHFFFAOYSA-N 356.401 2.620 0 50 FFAA CCc1ccccc1OC1CN(C(=O)NCCCOc2cccnc2)C1 426578705 OCTUDMJOXHAXLT-UHFFFAOYSA-N 355.438 2.886 0 50 FFAA CN1Cc2cccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2C1 291882779 NHACHORLZMBQFM-UHFFFAOYSA-N 371.462 2.560 0 50 FFAA NC(=O)C1(c2nc(COc3ccc(F)cc3)nn2Cc2ccccc2)CC1 95510541 HXOZIROBVFVQDK-UHFFFAOYSA-N 366.396 2.561 0 50 FFAA COCCN1C[C@H](CNC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O 91585936 SLUMKURUUOIBFW-NSHDSACASA-N 359.253 2.527 0 50 FFAA O=C(NC[C@H]1COc2ccccc2O1)c1cnc(Nc2ccccc2)nc1 91306170 NPWZDLZKVQSRSY-INIZCTEOSA-N 362.389 2.790 0 50 FFAA Cc1nn(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)c(C)c1Cl 92107885 VAKIGALIZWAWCC-ZDUSSCGKSA-N 364.808 2.535 0 50 FFAA O=C(c1cccc2cnccc12)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96149288 ZEGFTFIMFVDRAG-XMSQKQJNSA-N 374.396 2.938 0 50 FFAA Clc1c(CN2CCCO[C@@H](CN3CCOCC3)C2)[nH]c2ccccc12 97447003 QKGUBVLDUWIBBJ-HNNXBMFYSA-N 363.889 2.744 0 50 FFAA CCOCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 95387352 HTRLVJCBAGXDEZ-IBGZPJMESA-N 370.493 2.810 0 50 FFAA Nc1nc2c(c(NCCc3nc(Cc4ccccc4)no3)n1)CCCC2 95365247 RVXBVFHZZRYXBO-UHFFFAOYSA-N 350.426 2.566 0 50 FFAA CN1CCN([C@H]2CCN(Cc3ccc4occc4c3)C[C@H]2CCCO)CC1 92037014 MMGIPKSJABWHPC-RTWAWAEBSA-N 371.525 2.643 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1ccc(N(C)C)cc1)C2 91997559 DUBWQSSLQDXGNO-MRXNPFEDSA-N 354.450 2.671 0 50 FFAA Cc1ccc(F)c(C(=O)N[C@H](C2CCNCC2)[C@H]2C[C@H](O)C2)c1Cl 252537687 MANZGFNZADYPIB-PBFPGSCMSA-N 354.853 2.656 0 50 FFAA Cc1nc(-n2cnnc2)ccc1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 534640094 USZOHOQMWPWRNJ-KRWDZBQOSA-N 363.421 2.547 0 50 FFAA CC(=O)N1CCCN(C(=O)c2cccc(-c3cnn(CC4CC4)c3)c2)CC1 534582566 MKMGCOBPRGLTOM-UHFFFAOYSA-N 366.465 2.655 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@@]3(C)CCCCO3)CC2)c1 67604683 AOLRLXHMYBGYPC-HXUWFJFHSA-N 361.482 2.798 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(Cl)c2ncccc12 299767996 DRMWUQOFGFZWLB-ZDUSSCGKSA-N 362.861 2.857 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)COC[C@@H]3CCCO3)s2)c1 299768265 SDHSGUNBKHWVGK-HNNXBMFYSA-N 362.451 2.631 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1-c1nc[nH]n1 828184241 UBNRCXKECSODQR-CQSZACIVSA-N 367.478 2.928 0 50 FFAA CCOCCc1nc(-c2ccc(Cl)cc2)nn1C[C@H]1COCCO1 584899152 BRBGJTMFZNQAJF-HNNXBMFYSA-N 351.834 2.593 0 50 FFAA COc1ccccc1-n1cc(CNS(=O)(=O)Cc2cccc(C)c2)cn1 670467227 ZFWGAWDQIPXCQD-UHFFFAOYSA-N 371.462 2.809 0 50 FFAA CC[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)N1Cc2ccccc2C1=O 670442532 WXRSELKIVAZSDA-LJQANCHMSA-N 366.465 2.729 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)NCc2csc(C)n2)n1 670442913 ZHFIQHKWCBALQG-UHFFFAOYSA-N 358.423 2.759 0 50 FFAA Cn1nc(O)cc1C(=O)N1CC[C@@](F)(c2ccc(C(F)(F)F)cc2)C1 1875293872 GGQRUOCWURQHCA-HNNXBMFYSA-N 357.307 2.855 0 50 FFAA NC1(c2cccc(NC(=O)C[C@@H]3Cc4ccccc4CN3)c2)CCOCC1 1875287403 IRPUQJARNAVQFI-FQEVSTJZSA-N 365.477 2.694 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1ccc(N2CCCC2=O)cc1 952969895 NGWWRDVAGJQAHN-UHFFFAOYSA-N 366.465 2.664 0 50 FFAA Cc1c(Br)cccc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 886093926 KLQKCJYIYUQZQE-HNNXBMFYSA-N 350.216 2.526 0 50 FFAA Cc1ccc(-c2nc3sccn3c2CN2CC[C@@H](CO)[C@@H](O)C2)cc1 1565516467 QMPBLOXPOPVINN-RDJZCZTQSA-N 357.479 2.546 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 1565513990 WPIPPKGPSVSKLJ-UHOSZYNNSA-N 356.514 2.753 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NC2=NS(=O)(=O)c3ccccc32)CC1 301319612 RDWCDBDMBNLKOF-HNNXBMFYSA-N 369.490 2.951 0 50 FFAA O=C(NC1CCC(O)CC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 187222339 PAIDDUCRGNZTRD-MOKVOYLWSA-N 371.403 2.887 0 50 FFAA C[C@@H]1CN(Cc2nc(-c3c(F)cccc3F)cs2)CCN1CCO 187728940 VJASGPWFPIIAIW-GFCCVEGCSA-N 353.438 2.587 0 50 FFAA Cc1cc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 280047072 OOSMZOWUHYMCGX-SWLSCSKDSA-N 353.344 2.614 0 50 FFAA O=C(Nc1ccc2c(c1)CCCO2)N[C@H]1CCCN(c2ncccn2)C1 171386388 PKFKOTAPLLREHQ-INIZCTEOSA-N 353.426 2.592 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCc2cc(Br)ccc2C1 190212141 PLICDDATMWUBLR-UHFFFAOYSA-N 371.256 2.801 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 193841148 YENIPYRHDQRYCQ-KRWDZBQOSA-N 363.465 2.529 0 50 FFAA O=C(c1cccc(-n2nccc2C(F)(F)F)c1)N1CCN2CCC[C@@H]2C1 195028018 DVVVKFFSSWYUPB-OAHLLOKOSA-N 364.371 2.811 0 50 FFAA COCCN(Cc1cccnc1)S(=O)(=O)c1cc(C)c(C)cc1OC 1506421762 JOHFPPIOYFURBA-UHFFFAOYSA-N 364.467 2.544 0 50 FFAA CCCC[C@@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@H](C2CC2)O1 1529167097 GHHGZEKOXKSSGJ-RTBURBONSA-N 373.497 2.728 0 50 FFAA COc1cc(-c2onc(NCC[C@@H](C)N(C)C)c2C(=O)O)ccc1F 1704326195 XIVYNCLMARKRBE-SNVBAGLBSA-N 351.378 2.940 0 50 FFAA N[C@H](Cc1ccccc1)c1nnc(N2CCC(N3CCCCC3)CC2)o1 1772704692 SHYHQJPPRJHANX-GOSISDBHSA-N 355.486 2.767 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)[C@H](C)Oc1ccccc1 5550580 SLJQHNPXBZGGQK-LBPRGKRZSA-N 358.419 2.754 0 50 FFAA COC[C@H](C)NC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 11782629 YHIAPRCJFJFXSU-JTQLQIEISA-N 360.439 2.970 0 50 FFAA CCOC(=O)C1(CCOC)CCN(C(=O)c2ccc(CSC)o2)CC1 12480106 XJSGGCTUBWCISP-UHFFFAOYSA-N 369.483 2.965 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)CC)C1 12507429 QDGQQVKEGSTPRU-SFHVURJKSA-N 353.484 2.533 0 50 FFAA COCCc1nc2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2o1 12578902 LEFPEFQVBKUYEB-KRWDZBQOSA-N 354.406 2.822 0 50 FFAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@@H]1CCC(=O)N(C2CC2)C1 15070158 VOOXFSMFFZDMEM-CYBMUJFWSA-N 354.372 2.765 0 50 FFAA COc1ccccc1CNC(=O)c1ccc2c(c1)N(C)[C@@H]1CCCN1C2=O 169765715 QHVLOZDWUGMMGV-IBGZPJMESA-N 365.433 2.637 0 50 FFAA O=C(Nc1nccs1)c1nnn(Cc2ccccc2)c1-n1cccc1 206649707 ZYODJTQCOPQBNY-UHFFFAOYSA-N 350.407 2.826 0 50 FFAA O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 2549267 ZEAWZNCAORNQRV-KRXBUXKQSA-N 368.408 2.959 0 50 FFAA CNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)c1cncc(F)c1 1857675450 YNTRFWABXFMDEG-WAOWUJCRSA-N 367.424 2.573 0 50 FFAA CCOCCNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(C)nc1C 1857698158 FZOARUWZOJPLKC-YRISNDGFSA-N 373.497 2.624 0 50 FFAA O=C(CCC(F)(F)F)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875245776 QFXFSDWSWSBRMO-JSGCOSHPSA-N 351.752 2.943 0 50 FFAA O=S(=O)(Nc1nncn1Cc1ccccc1)c1cccc2cccnc12 225401793 RTRYRUWSPITWCK-UHFFFAOYSA-N 365.418 2.675 0 50 FFAA Cc1cc([C@@H]2CN(c3nccc(N[C@@H]4CCCOC4)n3)CCO2)ccc1F 333141641 KKGYSXGELZFHRF-AEFFLSMTSA-N 372.444 3.093 0 50 FFAA CCOC(=O)c1cnc2ccc(Br)cc2c1NC[C@H](C)O 19530869 SQDPYBOZFFISRN-VIFPVBQESA-N 353.216 2.967 0 50 FFAA COC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C)o1 266896826 CNGPAGFVEHKVDF-MSOLQXFVSA-N 370.449 2.944 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccs3)C1)CC2 1704298714 CLGBOFXCOWRVCI-LJQANCHMSA-N 356.495 2.653 0 50 FFAA O=C(c1cccc2c1COC2)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 2100539450 IXBJDQNMACAQGS-WIYYLYMNSA-N 364.445 2.615 0 50 FFAA COC(=O)COc1cccc(Cn2nc(-c3ccc(C)cc3)ccc2=O)c1 2325854849 YFFSTOCRLDMWHQ-UHFFFAOYSA-N 364.401 2.819 0 50 FFAA Cc1nc(O)ccc1C(=O)Nc1cccc(-c2n[nH]c3c2COCC3)c1 2325866705 WYYMZOUXRPPWGC-UHFFFAOYSA-N 350.378 2.811 0 50 FFAA COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCOCC1 1028998 DSRLIXBANKLGMS-UHFFFAOYSA-N 370.405 2.571 0 50 FFAA CSc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 1128247 QWSJCIDVXXMTMT-UHFFFAOYSA-N 350.465 2.813 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)cc1 1152623 NYTIKFGOESJPJC-UHFFFAOYSA-N 358.891 2.945 0 50 FFAA CS(=O)(=O)N(CCOc1ccccc1)c1cccc(N2CCCC2=O)c1 2356156473 DACIMNXSADYFJZ-UHFFFAOYSA-N 374.462 2.658 0 50 FFAA COc1ccccc1CCC(=O)N1CCC[C@]12CCCN(C1CC1)C2=O 2356165561 JIPSHDMFKDANTI-NRFANRHFSA-N 356.466 2.774 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1 65528373 MUKXRHYKFLCWMQ-UHFFFAOYSA-N 367.449 2.612 0 50 FFAA Clc1ccc(N2CCN(Cc3nc(-c4ccccn4)no3)CC2)nc1 20204596 COGLNNNGNKOAJW-UHFFFAOYSA-N 356.817 2.502 0 50 FFAA COc1cnc(N2CCC[C@@H](Cc3cccnc3)C2)nc1-c1ccnn1C 23581301 OILSIRHHHDTFEQ-INIZCTEOSA-N 364.453 2.740 0 50 FFAA C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 229761138 WAVZOUSTWFEHHC-CABCVRRESA-N 355.523 2.869 0 50 FFAA C[C@]1(CO)CCCN(Cc2ccccc2-c2nc(C(F)F)cc(=O)[nH]2)C1 23619978 QADQDWOOQIWLIY-IBGZPJMESA-N 363.408 2.969 0 50 FFAA CCNc1ncc(CN2CCN(c3ncnc4scc(C)c34)CC2)cn1 65405509 MMFNIPOZROTXIQ-UHFFFAOYSA-N 369.498 2.544 0 50 FFAA CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(C(=O)O)ccc1F 236701493 KFGBYQCQIAPXCO-SFHVURJKSA-N 372.396 2.846 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(Cc3cccc4c3OCO4)CC2)no1 328654778 XUOIZGICXCXISR-MRXNPFEDSA-N 358.442 2.593 0 50 FFAA O=c1oc2cc(OC[C@H](O)CNc3ccccn3)ccc2c2c1CCCC2 35686221 FOSXISBTUSDDEP-CQSZACIVSA-N 366.417 2.919 0 50 FFAA COCC[C@H]1CN(c2cc(-c3ccccc3)nc3cc(C)nn23)CCO1 72420049 ZIDXVZCVGQGAOD-KRWDZBQOSA-N 352.438 2.946 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3CN2C)c2c(C)noc2n1 77423312 SBBFWXQNXCNSSW-QGZVFWFLSA-N 364.449 2.968 0 50 FFAA COc1cc(CN2CC[C@H](NC(=O)[C@H]3CCC(F)(F)C3)C2)cc(OC)c1 331396423 GFJYPSHUUGPLEL-GJZGRUSLSA-N 368.424 2.830 0 50 FFAA Cc1ccc(OCCCN(C)c2cc(C3CC(N)C3)nc(N)n2)c(C)c1 219049172 IMVOOUBBQQKIAD-UHFFFAOYSA-N 355.486 2.786 0 50 FFAA CN(C)c1cc(C(=O)NC2CCC3(CC2)OCCO3)nc2ccccc12 253404920 VYSHCVRCVJHNKB-UHFFFAOYSA-N 355.438 2.716 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c1 72129710 DLSWBNWKGVFXHI-AWEZNQCLSA-N 351.447 2.593 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCNC[C@@H]1c1ccccc1 333224831 ASZFRCZLQDOZBS-LJQANCHMSA-N 351.450 2.843 0 50 FFAA CCCCc1nn(CC(=O)N2CCC(c3ccccc3)CC2)c(=O)n1CC 77425888 WSAVSMDNQBKMTB-UHFFFAOYSA-N 370.497 2.814 0 50 FFAA CCc1cnc(N2CCN(C(=O)c3ccccc3CN(C)C)CC2)s1 486410725 UTXVKFNKNLUEHS-UHFFFAOYSA-N 358.511 2.730 0 50 FFAA Cc1cc(N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc(C)n1 215674645 RZZKKXINFXSPHX-UHFFFAOYSA-N 359.857 2.949 0 50 FFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc(F)ccc2-c2ccoc2)n1 366231295 BEKYQHZCIILJPV-CZUORRHYSA-N 357.341 2.725 0 50 FFAA CN(Cc1ccccc1NC(=O)NCCc1nnc[nH]1)C1CCCCC1 156062612 TVNDTZYXVOJIJX-UHFFFAOYSA-N 356.474 2.933 0 50 FFAA Cc1ccc(Cn2nc(C)c(CNCC3(O)CCOCC3)c2Cl)cc1 237855208 IOKOHPWFWLDQHZ-UHFFFAOYSA-N 363.889 2.833 0 50 FFAA CC(C)c1cc(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)no1 72166804 UVUZWAUNOUTRGC-UHFFFAOYSA-N 364.405 2.747 0 50 FFAA Cc1ccc(C)c(CS(=O)(=O)NC(=O)Cc2c[nH]c3ccccc23)c1 241707077 QMLRNKRJYDFPFV-UHFFFAOYSA-N 356.447 2.973 0 50 FFAA O=C(CCn1c(S)nnc1-c1cccs1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 241775966 RQSVBZJXZBVNDJ-FQOPFDEGSA-N 360.508 2.846 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)c3csc(C(C)C)n3)CC2)c1 77406063 KAUKKHHEGXWJKP-UHFFFAOYSA-N 373.478 2.873 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cc1=O 82138914 SUQFVQZJLPNGLX-OAHLLOKOSA-N 358.413 2.939 0 50 FFAA O=C(O)c1ccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)cc1 263392375 DVOVDCKFKAOKOO-UHFFFAOYSA-N 374.824 2.805 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCCN(Cc3ccccn3)CC1)OCCO2 222436594 CYIBNYJCSMOUDI-UHFFFAOYSA-N 367.449 2.509 0 50 FFAA Cc1cc(-c2ccc(C(=O)N[C@H](C)c3nncn3C(C)C)cc2)nc(N)n1 426705696 MQNDLJNOFKBISR-CYBMUJFWSA-N 365.441 2.698 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)Nc1cccc(-n2cnnc2)c1 426445653 QVKBGZWYPQMAFG-UHFFFAOYSA-N 366.429 2.686 0 50 FFAA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc(OC3CCCC3)cc1)C2 221369497 CYXGWTJOJSOLFL-OAQYLSRUSA-N 371.481 2.636 0 50 FFAA O=C(c1cnc2ccccc2n1)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 48063525 QKRCIDXHGLHXCL-CQSZACIVSA-N 362.437 2.651 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2cccc(-c3ccc(OC)nc3)c2)CC1=O 426683980 VVWMXTNNWMSTJC-HNNXBMFYSA-N 367.449 2.698 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccccc3N(C)C)CC2=O)cc1 82160379 JJQDRIQFAMITBJ-INIZCTEOSA-N 351.450 2.939 0 50 FFAA COc1ccccc1CN(CCO)C(=O)[C@@H](c1ccccc1C)N(C)C 95376448 NMDVXNRWNZTKLY-HXUWFJFHSA-N 356.466 2.627 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3ccsc3)C2)CN1CCc1c[nH]cn1 92020854 MUBOBVIAFSCNEL-LJQANCHMSA-N 372.494 2.559 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Nc3ccc4occc(=O)c4c3)C2)no1 96130290 LTVOXGQQYLYXAX-LBPRGKRZSA-N 354.366 2.896 0 50 FFAA COc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1-n1cnnn1 180593185 XWVFUYXKOHGENF-INIZCTEOSA-N 363.421 2.521 0 50 FFAA Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239038916 FDKJSJGIAQCACZ-LXJANLPBSA-N 365.429 2.652 0 50 FFAA O=C(NC1CCN(Cc2cccs2)CC1)c1cccc(-n2cnnc2)c1 92037230 GSUOHNZZWZWFJC-UHFFFAOYSA-N 367.478 2.723 0 50 FFAA Cc1ccc(F)cc1[C@@H](C(=O)O)N1CCC(CCN2CCCC2=O)CC1 95375513 OGWKAAVMYYOEQM-IBGZPJMESA-N 362.445 2.984 0 50 FFAA COCCN1CCN([C@@H](C(=O)O)c2cccc3c2oc2ccccc23)CC1 95363728 LMSXUIPOSAQCEY-LJQANCHMSA-N 368.433 2.976 0 50 FFAA COc1c[nH]c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1=O 97173067 NDPNYBBRDDYNKS-UHFFFAOYSA-N 350.777 2.981 0 50 FFAA Cc1cnc([C@H](C)CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)s1 183207728 HYJYPADGQKFPTC-SNVBAGLBSA-N 365.480 2.707 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ncnc2[nH]c(C)c(C)c12 183573373 QQLUMGAFFGCMAB-UHFFFAOYSA-N 372.450 2.793 0 50 FFAA Cc1nc(CC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)s1 252537228 KTKZUESWPXICSP-GQIGUUNPSA-N 372.490 2.866 0 50 FFAA Cn1c([C@@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)nc2ccccc21 299321814 GILRHCDIHPZGEK-AWEZNQCLSA-N 354.435 2.711 0 50 FFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)N3CCc4nc(C)[nH]c4C3)n2)c1 534652403 FVEXHYQNUGGXNK-GFCCVEGCSA-N 366.425 2.905 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc(=O)c4c3)cc2)C1 534583441 DLOXZLRAWAKJFH-SFHVURJKSA-N 361.445 2.971 0 50 FFAA OCCn1nccc1C1CCN(c2cncc(OCC3CCCC3)n2)CC1 185311097 OTAKSBVHDMWISE-UHFFFAOYSA-N 371.485 2.618 0 50 FFAA Cn1ccnc1SCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 299777030 JLKCSRJAHKGYEQ-QGZVFWFLSA-N 358.511 2.541 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)Nc1ccc(Cc2nnc(C)[nH]2)cc1 299783714 XRZKLAJGDUBQNS-LBPRGKRZSA-N 368.445 2.588 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)NCc1ccc(Cl)cc1Cl 828710777 CVCOGHUFGBUUQC-AWEZNQCLSA-N 360.285 2.639 0 50 FFAA Oc1nc(O)c2c(-c3ccc(OCCCN4CCCCC4)cc3)n[nH]c2n1 1875290145 AAXCJPLXBJQXIF-UHFFFAOYSA-N 369.425 2.686 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)CC1 1875362989 BWAAMNIQJLDSHP-HXUWFJFHSA-N 362.420 2.956 0 50 FFAA COCc1ncc2c(n1)C[C@H]1CC[C@H]2N1c1ccnc(-c2nccs2)n1 1875392062 HENIYEXKWNJIAX-BXUZGUMPSA-N 366.450 2.803 0 50 FFAA Cc1ccccc1CC[C@H](C(=O)N[C@@H](C)[C@H](O)C(=O)O)c1ccccc1 1875311156 ORTQPRQKVTXEOV-SNRMKQJTSA-N 355.434 2.662 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)Cc2ccnn2-c2ccccc2)N1 952860300 LKWUNHLHRIRTMW-SFHVURJKSA-N 361.449 2.548 0 50 FFAA CCCCC[C@@H](C)NC(=O)CN1CCCc2c1cccc2S(C)(=O)=O 1334937943 XXWBOLZHHHANAW-OAHLLOKOSA-N 366.527 2.928 0 50 FFAA CC1(C)COC(=O)[C@@H]1OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170623442 IJQCDCZXTRLRIJ-JTQLQIEISA-N 370.283 2.864 0 50 FFAA O=C(N[C@@H]1CCCOc2ccccc21)[C@@H]1CCCN(c2cnccn2)C1 170608403 SMPOQQXJYXBVPX-NVXWUHKLSA-N 352.438 2.723 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(Br)cn1 190416312 LLXGFNWOIKZTHN-RYUDHWBXSA-N 352.236 2.788 0 50 FFAA Cc1nc(C(C)(C)C)nc(O)c1C(=O)Nc1cc(-c2nc[nH]n2)ccc1F 791278598 RXTPUVLXXNBVJE-UHFFFAOYSA-N 370.388 2.965 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 1529139762 RZBGJKZMWMWRKM-WBVHZDCISA-N 372.387 2.956 0 50 FFAA CN1CCCC[C@H]1C(=O)N1CCCN(c2ccc3ccccc3n2)CC1 1772805146 IKEPUZYIINVWCG-IBGZPJMESA-N 352.482 2.758 0 50 FFAA CN1C[C@@H](CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCC1=O 1772810694 OJIQCRWVLIWBGF-AWEZNQCLSA-N 370.415 2.857 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(CC3CC3)C[C@H]3CCCO3)no2)cn1 11937578 HKDJQTRVDOULTF-QGZVFWFLSA-N 371.437 2.988 0 50 FFAA CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)nn2)n1 169778161 RGVIQXJRQSZKRM-AWEZNQCLSA-N 370.388 2.678 0 50 FFAA COc1ccccc1C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778326 YHCCQWIKHPGFQB-UHFFFAOYSA-N 359.389 2.730 0 50 FFAA CC[C@@]1(C(=O)N2CCC(C)CC2)C[C@@H]2CC[C@H]1N2C(=O)c1cc(C)n(C)n1 1857673576 OQTCFIIILPAFDT-YRISNDGFSA-N 372.513 2.760 0 50 FFAA CN1CCCC[C@H]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857679706 REHNVWDKSWAOME-KRWDZBQOSA-N 352.482 2.878 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 245904479 BTQCURYNFHOHTQ-ZFWWWQNUSA-N 374.872 2.503 0 50 FFAA COc1nn(C)cc1N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 473783969 JMDYHBNCRFLUJH-NSHDSACASA-N 355.225 2.953 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)COc2ccc(C)cc2)cc1OC 3626938 JQCVNOVDPXPNES-INIZCTEOSA-N 373.405 2.723 0 50 FFAA COC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20051452 ZTYKGSRCJAPNCS-INIZCTEOSA-N 363.845 2.607 0 50 FFAA NCC[C@H]1CN(Cc2ccc(OCC(F)(F)F)nn2)c2ccccc21 923556613 XJTFRTPTZWOELD-LBPRGKRZSA-N 352.360 2.870 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 31434 PRUPQCIQHAZBHA-HZPDHXFCSA-N 350.846 2.880 0 50 FFAA COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O 608186 YLOYKYXNDHOHHT-UHFFFAOYSA-N 374.345 2.547 0 50 FFAA biogenic,in-vitro O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccnc1 829915 FHLAJQYJMVBWES-UHFFFAOYSA-N 367.430 2.916 0 50 FFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C 839161 KJEYNWQWLMDFIW-UHFFFAOYSA-N 363.317 2.593 0 50 FFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 1143940 MQKSZWYYHGTHIV-UHFFFAOYSA-N 366.414 2.530 0 50 FFAA Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2ncccn2)CC1 2773877 GHOQPMOBWTZUIB-UHFFFAOYSA-N 374.872 2.946 0 50 FFAA CCOn1c(=O)c(-c2cccc(Br)c2)[n+]([O-])c2ccccc21 4856124 SNJWGVBZGXEIIZ-UHFFFAOYSA-N 361.195 2.513 0 50 FFAA CC(C)COc1ccc(CCNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)cc1 246200091 OPADDGGSSAFZGZ-IRXDYDNUSA-N 352.500 2.583 0 50 FFAA O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1c(-n2cccc2)sc2c1CCCC2 225485326 REMSSGKDLINBHH-CABCVRRESA-N 374.506 2.792 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)no1 55196044 LSQMVOPQRBKSGY-SFHVURJKSA-N 372.444 2.549 0 50 FFAA CCN(C/C=C/c1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 55370049 KYCGKSSEKWSNHK-OEMHODTASA-N 363.461 2.992 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c(F)c1 20204852 YRNMJVFPGRBMKK-KRWDZBQOSA-N 362.445 2.805 0 50 FFAA Cc1cc(Nc2ncc(CN(C)Cc3noc(C4CC4)n3)s2)n(C)n1 63881579 KARLFDAQTJYMQH-UHFFFAOYSA-N 359.459 2.821 0 50 FFAA Cc1cnc(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)cn1 11709982 CVYQRTSGFRMQMY-OAQYLSRUSA-N 370.497 2.820 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)CO[C@@H]2CCC[C@@H](C)C2)o1 328613683 TULXHJKFUAXPFF-RBSFLKMASA-N 351.447 2.688 0 50 FFAA CN1C(=O)C[C@H](C(=O)N=c2cc[nH]cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 478747902 QRZGKHSKCFFXAJ-LRDDRELGSA-N 364.232 2.968 0 50 FFAA COc1cc(CN2CCN(c3ncc(F)cn3)CC2)cc(Cl)c1OC 65398031 PDERCHIDPQZHAE-UHFFFAOYSA-N 366.824 2.609 0 50 FFAA C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1nncn1C1CCCC1 218897812 QPLVLWSZOZMRCT-CQSZACIVSA-N 365.437 2.586 0 50 FFAA COc1nc2c(cc1CNC(=O)c1ccoc1)C(=O)N(C1CCCC1)C2 71776009 QDRDQEPVXRRKRF-UHFFFAOYSA-N 355.394 2.512 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 214994998 HBOASXHSBGUQCJ-CQSZACIVSA-N 364.453 2.938 0 50 FFAA Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN(C)Cc3ncc[nH]3)cc2c1 72427845 JLHMIBSTPIBAHJ-SFHVURJKSA-N 365.481 2.859 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 72144465 PBSBGFHNGPFVTH-SFHVURJKSA-N 364.511 2.631 0 50 FFAA O=C(CCNc1cc(-c2ccccc2F)nc2ccnn12)N1CCCC1 72168767 AFRDBCRFONJPLY-UHFFFAOYSA-N 353.401 2.960 0 50 FFAA Cc1cccc(CN2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)n1 72423687 SROLZNYFPPZWOG-GOSISDBHSA-N 368.529 2.884 0 50 FFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCO[C@@H](c2ccco2)C1 127770868 DBKRNBROLNCDAQ-CQSZACIVSA-N 357.391 2.832 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCO[C@@H](C(F)(F)F)C3)nc2c1O 71753122 NKLXZURDHXZWAK-CYBMUJFWSA-N 354.328 2.961 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCN(Cc3cnc(N4CCCC4)nc3)C2)cc1 72412291 JFGKESCSAQSYQS-QGZVFWFLSA-N 366.465 2.840 0 50 FFAA Cc1ccccc1-c1ncc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)cn1 72417836 LHUHZPILSMAAOA-FQEVSTJZSA-N 352.438 2.869 0 50 FFAA CCO[C@H]1C[C@](NC(=O)c2ccc(-n3ccc(C)n3)cc2)(C(=O)O)C1(C)C 262837735 SVOFYEKXNSZSPW-JXFKEZNVSA-N 371.437 2.569 0 50 FFAA c1ccc(-c2nc3c(c(NC[C@@H]4OCCc5ccccc54)n2)CCNC3)nc1 77319649 LJIFMUWZOGZZNC-FQEVSTJZSA-N 373.460 2.910 0 50 FFAA CNC[C@H]1CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 262576175 JTKNPSTUCKRZLV-CQSZACIVSA-N 367.478 2.677 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3c(F)ccc(F)c3F)CC2=O)cc1 77408182 XYMDGXDWLQGLPK-UHFFFAOYSA-N 362.351 2.897 0 50 FFAA O=c1n(Cc2ccccc2F)nc([C@H]2CCCNC2)n1-c1ccccc1 71523917 DAPGVUJYPZYXCP-HNNXBMFYSA-N 352.413 2.688 0 50 FFAA Cc1cc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c2[nH]c(C)c(C)c2c1 71753746 QMVFSZMDJRTKPW-UHFFFAOYSA-N 371.462 2.671 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71753205 XPXXZVFHBKFTJY-DFQSSKMNSA-N 352.434 2.991 0 50 FFAA COc1c(C)cc(C(=O)N2CCC[C@H](N3CCC(CO)CC3)C2)cc1C 72133414 CCYVIKYRRBHSGD-IBGZPJMESA-N 360.498 2.621 0 50 FFAA O=C(Nc1nc2c(s1)COCC2)N1CCCN2c3ccccc3C[C@H]2C1 290463035 PYNZZULEAYDQQU-AWEZNQCLSA-N 370.478 2.885 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)n[nH]3)cc2)CC1 175796834 BFVKUUQIECMNTA-WMLDXEAASA-N 353.470 2.927 0 50 FFAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 175775268 CNAMGCKKGXIKFG-CRAIPNDOSA-N 374.444 2.989 0 50 FFAA O=C(O)CCCC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 17072713 LNDZRAJHKFXNDP-UHFFFAOYSA-N 350.440 2.713 0 50 FFAA Cc1cn2cc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)ccc2n1 82099983 UOSRQAMKTZODMP-GOSISDBHSA-N 350.422 2.859 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1nc3ccccc3[nH]1)C2 223843447 KMTLWOQMNZDWHT-GOSISDBHSA-N 367.453 2.568 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccccc1OC1CC1 289156437 DICSEOJPBODESI-LPHOPBHVSA-N 355.438 2.838 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@H]2COc3ccccc3C2)CC1 82091714 MHWPDIXEYUDUAN-GOSISDBHSA-N 351.450 2.680 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN(C)Cc1ccc(F)cc1 223135839 MEGQTXYSOHLCMQ-RTBURBONSA-N 364.461 2.514 0 50 FFAA Cc1ncn(CC(=O)N[C@H](CCn2ccnc2C)c2ccccc2)c1C 223557840 CMGRQZYHOBXFRO-LJQANCHMSA-N 351.454 2.953 0 50 FFAA O=C1C(=O)N(CN2CCN(Cc3ccccc3Cl)CC2)c2ccccc21 20045248 RBEMLBSCJFLHJF-UHFFFAOYSA-N 369.852 2.645 0 50 FFAA CCc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N3CCOCC3)c2c1 20863305 LQVNYOFVSSZBKX-UHFFFAOYSA-N 350.422 2.670 0 50 FFAA COc1cccc(F)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222568702 CAROMFAWKZOJNY-SJORKVTESA-N 359.397 2.938 0 50 FFAA O=C(NCCc1nccs1)c1cnc(CSc2ccccc2)nc1O 91411861 VUIOCJXQMSVWSU-UHFFFAOYSA-N 372.475 2.904 0 50 FFAA Cc1ccccc1[C@H](C(=O)NCc1nc(Cc2ccccc2)no1)N(C)C 95364740 KDFCOVWHRXUUOK-HXUWFJFHSA-N 364.449 2.888 0 50 FFAA COc1nccnc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95387541 MNWFIURUSSTKMY-HNNXBMFYSA-N 350.426 2.509 0 50 FFAA COc1cccc(-c2cccc(NC(=O)NCCN3CCC(O)CC3)c2)c1 96136257 IFCBCMCFRHIKIM-UHFFFAOYSA-N 369.465 2.940 0 50 FFAA CCCn1cc(C(=O)N[C@H](C(=O)O)c2ccc(F)c(Cl)c2)c(C)n1 95526675 BTDGMBMXKOGAIV-AWEZNQCLSA-N 353.781 2.950 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1csc(SC)n1)C2 91586560 OLRSYAODLFJSOI-JTQLQIEISA-N 350.465 2.855 0 50 FFAA C[C@H](c1ccccc1)n1nccc1NC(=O)NCCCN1CCCC1=O 95521859 IGMBFJWNKFPMCZ-OAHLLOKOSA-N 355.442 2.626 0 50 FFAA O=C(c1ccc(O)c(Cl)c1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95355218 RQRYKMMEHJYPKN-XJKSGUPXSA-N 364.873 2.761 0 50 FFAA Cc1c(NC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)cnn1C 96149627 MRRXJNOSOWLROQ-UHFFFAOYSA-N 366.347 2.956 0 50 FFAA CSc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)c1 95369062 OCMLPSPGAQXLKN-IAGOWNOFSA-N 368.506 2.935 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)cn1 244795430 RGGRNJZVEAQLIW-OHNRDTAOSA-N 362.376 2.539 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2)c2ccccc12 534646695 KRVYGLBHDUEDMA-QGZVFWFLSA-N 374.444 2.943 0 50 FFAA CN1C[C@@]2(CCN(C(=O)Nc3ccc(Cl)c4ncccc34)C2)OC1=O 299792209 DGMVJOZSNZXHAF-QGZVFWFLSA-N 360.801 2.947 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)o1 299789183 SSIOZNUANAKXGA-CYBMUJFWSA-N 361.402 2.849 0 50 FFAA O=C(Nc1cnc2sccn2c1=O)N1CCCC[C@H]1c1nccs1 299793562 GMPXUJAVNQGSSV-NSHDSACASA-N 361.452 2.972 0 50 FFAA CCCn1nc(C)c(NC(=O)NCCc2noc([C@@H]3CCCO3)n2)c1C 299773179 CWPNTEBFMJLNQS-ZDUSSCGKSA-N 362.434 2.509 0 50 FFAA C[C@@H](C(=O)NCc1noc(C2CC2)n1)N1C(=O)c2cccc3cccc1c23 827654294 HPIFIXYZUNFKNM-NSHDSACASA-N 362.389 2.765 0 50 FFAA CCCn1nccc1C(=O)N[C@H](C)c1cnn(-c2cccc(OC)c2)c1 584886771 XYKJIWKAMLXLKY-CQSZACIVSA-N 353.426 2.978 0 50 FFAA Cn1ncc(C(=O)NC[C@@](C)(O)c2cccc(F)c2)c1Cc1ccccc1 1455954828 JHSDPHVNKFOEPY-OAQYLSRUSA-N 367.424 2.788 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297569 WWKPKSXWISWXSD-WFASDCNBSA-N 366.469 2.792 0 50 FFAA C[C@H]1Cc2ccc(F)cc2CN1S(=O)(=O)CCn1cnc2ccccc21 1875259746 YPZDZHRGZOHVLB-AWEZNQCLSA-N 373.453 2.952 0 50 FFAA COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nc1O 1875286318 QCSCHAIGCMWCLC-WRWGMCAJSA-N 353.369 2.536 0 50 FFAA CN(C)C(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2F)C[C@H]1O 1875398483 RSICOJHQWAQJKV-UYAOXDASSA-N 356.441 2.764 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc(C(F)(F)F)n3)n[nH]c21 1875395487 YUCFDHYQVBLQEP-BDAKNGLRSA-N 354.332 2.776 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1c(F)cccc1N1CCCC1 1875399913 MAAGHQWIVVBWFZ-XFQXTVEOSA-N 358.461 2.552 0 50 FFAA C[C@H](NC(=O)NC[C@@]1(CO)CC12CCOCC2)c1cccc2cc[nH]c12 1875324750 LOLKUAGAYCVEDM-VBKZILBWSA-N 357.454 2.707 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 1875365469 YRMCGQKJBTVIHI-XJKSGUPXSA-N 350.821 2.876 0 50 FFAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@H]1NCCc2nc[nH]c21 952989277 CMLNGPDYEKQSFI-SFHVURJKSA-N 367.453 2.672 0 50 FFAA Cc1cc2occ(CC(=O)N3CCN4CCOC[C@H]4C3)c2cc1C(C)C 170594650 CAJQNDJWPZZFQF-QGZVFWFLSA-N 356.466 2.950 0 50 FFAA CCC[C@@H](NC(=O)c1ccc(C)n1C)C(=O)N1CCc2sccc2C1 171426196 OCAWOMZVNDGNDM-OAHLLOKOSA-N 359.495 2.878 0 50 FFAA COc1nc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc2ccccc12 280656620 UZDJYZWGEVGKFB-HXUWFJFHSA-N 356.422 2.654 0 50 FFAA CN(C(=O)c1cn(C(C)(C)C)nn1)[C@@H]1CCCN(Cc2ccccc2)C1 188664608 JKZSOIKPYKSQMA-QGZVFWFLSA-N 355.486 2.770 0 50 FFAA O=C(Nc1nnc(-c2ccccc2Cl)[nH]1)[C@H]1CC(c2cccnc2)=NO1 191868956 RACHDTFWOFHCGP-CQSZACIVSA-N 368.784 2.652 0 50 FFAA CC(=O)N1CC[C@H](Nc2ncnc3onc(C)c23)c2ccc(F)cc2C1 192532530 PMXIYLZGKRCOBY-HNNXBMFYSA-N 355.373 2.971 0 50 FFAA Cc1noc(-c2ccc(S(=O)(=O)N(C)Cc3cscn3)o2)c1C 1506403039 MGTMBEAUCCCZSW-UHFFFAOYSA-N 353.425 2.829 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1nc(N)nc2c1CCCC2 1506420099 UHTZVLLFOVBLKF-OAHLLOKOSA-N 368.485 2.528 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3nccn3-c3ccc(OC)cc3)CCN12 1529100738 YUZVZOZKDJTJSG-RBUKOAKNSA-N 370.497 2.566 0 50 FFAA CCCc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n[nH]1 1704297775 WNKVJFOVFMRCJH-FOIQADDNSA-N 364.449 2.586 0 50 FFAA O=C(c1cncc(NC[C@H]2CCCN(Cc3ccco3)C2)n1)N1CCCC1 1704338154 MHQNDMIBFAAQTH-MRXNPFEDSA-N 369.469 2.630 0 50 FFAA CC1=CC[C@H]2CN(C(=O)c3ccccc3N3CCC(=O)NC3=O)C[C@H]2C1 214974737 DRYBQRRGULFBNP-LSDHHAIUSA-N 353.422 2.561 0 50 FFAA CC(C)Cc1ccc(C(=O)N2CCCN(Cc3cncn3C)CC2)cc1 1772807465 NVPIMXJVGVXGJX-UHFFFAOYSA-N 354.498 2.967 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2F)n1 5028370 PWTSRFBNYCNQTK-UHFFFAOYSA-N 372.219 2.711 0 50 FFAA CC(=O)c1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5613596 JFOFOFBNRCENBV-UHFFFAOYSA-N 355.781 2.891 0 50 FFAA O=C(/C=C/c1ccncc1)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 11841489 IEGWGHOBNWLWQK-BDUNBXCCSA-N 358.401 2.672 0 50 FFAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCSCC1 14971077 AXNGUMKWSRYBHG-UHFFFAOYSA-N 370.478 2.844 0 50 FFAA CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNCc1ccon1 14964061 ODCZRWQHFWDWHL-UHFFFAOYSA-N 360.801 2.980 0 50 FFAA CC1(CCC(=O)NC[C@H]2[C@H]3CN(C(=O)C4CC=CC4)C[C@]34CC[C@H]2O4)CC1 1857712319 IUHXUVPXULEWPV-KCXPTXFHSA-N 372.509 2.655 0 50 FFAA Cc1ccc(OCC(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1 226323267 XOIYLAGYFGQYCN-JXMROGBWSA-N 370.430 2.985 0 50 FFAA Cn1ncc2ccc(-c3noc([C@@H]4CCCN(C(=O)C5CC5)C4)n3)cc21 329702532 HXASAPHRRGHZTE-OAHLLOKOSA-N 351.410 2.739 0 50 FFAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CCOc3ccccc32)C(=O)O)c1 237694663 IHHLYDFQIAYDJX-AEFFLSMTSA-N 353.418 2.921 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)nn1-c1ccccc1 366157899 MWNHEDIQRAWXGW-INIZCTEOSA-N 355.438 2.591 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)nn1-c1ccccc1 366157900 MWNHEDIQRAWXGW-MRXNPFEDSA-N 355.438 2.591 0 50 FFAA Cc1noc([C@@H]2COCCN2C(=O)COc2ccccc2C(C)(C)C)n1 155368962 MXZWYJFMSPSGSW-HNNXBMFYSA-N 359.426 2.654 0 50 FFAA O=C(NCCCn1ccc2ccccc21)[C@H]1CC(=O)N(c2nccs2)C1 370015840 FWHYTDKIAFLOIH-HNNXBMFYSA-N 368.462 2.657 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(CCO)cc3)C2=O)cc1 100093220 AJDMSARFYPOETQ-LJQANCHMSA-N 368.433 2.754 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 706378 MZQGFRTZYQDOMS-DZGCQCFKSA-N 350.802 2.690 0 50 FFAA COC(=O)[C@@H]1C(=O)Oc2ccc3ccccc3c2[C@H]1C(C)(C)C(=O)OC 1142224 NLGLJCZPOUSZGA-HZPDHXFCSA-N 356.374 2.831 0 50 FFAA COCCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 2192786 HOWZNZDLXGJJGV-UHFFFAOYSA-N 370.743 2.654 0 50 FFAA Cc1nc2c([nH]1)C[C@H](N=c1[nH]c3cc(Br)ccc3n1C)CC2 2325858147 ASFNTMSMKAHHHK-LLVKDONJSA-N 360.259 2.759 0 50 FFAA CN(C)c1ncncc1NC(=O)c1cnc(-c2ccc3c(c2)CCO3)s1 152122455 VSMGQDOJZSGDOZ-UHFFFAOYSA-N 367.434 2.853 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 810050 GTKWFNPHUOEPMA-MRXNPFEDSA-N 365.433 2.515 0 50 FFAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)s1 1066364 NUSMFFUNJKUSDR-JTQLQIEISA-N 355.217 2.564 0 50 FFAA CC(C)N(C(=O)CSc1nnc(C(F)(F)F)n1N)c1ccccc1 1248914 WZXSRDOCRBWHPN-UHFFFAOYSA-N 359.377 2.544 0 50 FFAA CCOc1ccc(-c2ccc(CN3CCC4(CC3)CNC(=O)CO4)o2)cc1 2356147012 DMRGQKHVYUEBIC-UHFFFAOYSA-N 370.449 2.826 0 50 FFAA CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccccc1 2871199 XWHRFFCDNPPICA-UHFFFAOYSA-N 367.858 2.592 0 50 FFAA CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)CC(C)C)s1 6818276 TZAZMINDHHZMHH-UHFFFAOYSA-N 368.484 2.738 0 50 FFAA COc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc2c1OCCO2 246234848 SDOCZYJHHQPBDN-KFKAGJAMSA-N 351.402 2.925 0 50 FFAA CCn1nccc1N1CCC[C@@H](Nc2ncnc3scc(C)c23)C1=O 413263024 MKTHXLJQNPLKFG-GFCCVEGCSA-N 356.455 2.824 0 50 FFAA CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1OC1CCC1)CC2 118581401 BVBRCUZNGITWSR-OAHLLOKOSA-N 369.469 2.586 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(C)[C@@H](CO)C1 106993223 OXKNVAYQOUBDEL-OAHLLOKOSA-N 369.387 2.777 0 50 FFAA Cc1ccc(CNc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 55281109 IRTZCAJEHFGFNU-UHFFFAOYSA-N 351.450 2.959 0 50 FFAA O=C(c1n[nH]c2ccccc2c1=O)N1CCC(Oc2ccc(F)cc2)CC1 115722541 QIQJDKPWCATBJX-UHFFFAOYSA-N 367.380 2.746 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cccnc3OC)CC2)OC1=O 77454005 GBHGMTPVUBVOTR-AWEZNQCLSA-N 361.442 2.706 0 50 FFAA COCCCCN1CCN(c2ncc3c(n2)CCN3c2ccccc2)CC1 65419875 RFWXYHFYFBVYBB-UHFFFAOYSA-N 367.497 2.719 0 50 FFAA CN(C)CCN(C)[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 20784448 XHCCNUVFCSENKT-OAHLLOKOSA-N 353.894 2.527 0 50 FFAA COC(=O)c1cc(F)c(I)c(Br)c1 36532933 MDCHLIXOERVCBD-UHFFFAOYSA-N 358.932 2.979 0 50 FFAA CCOC(=O)c1sc(NC(=O)Cc2ccc(F)cc2)c(C(N)=O)c1C 2744936 GGYLFBNNCUNOGI-UHFFFAOYSA-N 364.398 2.652 0 50 FFAA Cc1cc(C)n(-c2ccc(N3CC[C@@H](n4cnc5c4CCCC5)C3)nn2)n1 330305930 RBFSLSDHZLJWOF-MRXNPFEDSA-N 363.469 2.806 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)cc1 72462783 CPLYGXVIOPBNMI-UHFFFAOYSA-N 356.422 2.684 0 50 FFAA COC(=O)Nc1nn(CC(F)(F)F)c2cccc(N3CCOCC3)c12 77525619 OSRUWIJIGRABDF-UHFFFAOYSA-N 358.320 2.614 0 50 FFAA Cc1ccc2cc(CN[C@@H]3CCCN(Cc4noc(C)n4)C3)ccc2n1 364639991 WPBPBQUELOGTPM-GOSISDBHSA-N 351.454 2.989 0 50 FFAA Cn1nccc1C(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 156171147 YWZUYPBIOKKUOL-UHFFFAOYSA-N 352.369 2.742 0 50 FFAA O=C(C1=Cc2cc(F)ccc2OC1)N1CC[C@](CO)(c2ccccc2)C1 368274518 STRNOSMLKWXELL-NRFANRHFSA-N 353.393 2.764 0 50 FFAA CCCCCn1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc2c1=O 236696442 YVFLQTZTDIXHDA-CQSZACIVSA-N 371.437 2.524 0 50 FFAA COc1ccc(CCN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H](N)C2)cc1 72479271 XSGHUDFDCLCSQY-ZWKOTPCHSA-N 353.466 2.789 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 216368525 LBJSQQYAWVDSLO-QZTJIDSGSA-N 354.450 2.870 0 50 FFAA CC[C@@H](NC(=O)CN(C)Cc1cccnc1)c1nc2cc(C)ccc2[nH]1 218817098 IZJCXNMGHONLRD-MRXNPFEDSA-N 351.454 2.966 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1OCCc2ccccc21 238029983 QKKHGQNSRYDBHG-MOPGFXCFSA-N 351.402 2.729 0 50 FFAA C[C@@H](c1ccccc1)n1nnnc1N1CCC2(CC1)C(=O)Nc1ccccc12 72164686 JCTXUNRZPGQVIQ-HNNXBMFYSA-N 374.448 2.773 0 50 FFAA COc1ccc(NC(=O)CN2CCC(c3ccccn3)CC2)cc1OC 378263295 UQLLMNOZEZUOFB-UHFFFAOYSA-N 355.438 2.917 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@H]2CC(F)F)nn1-c1ccc(F)cc1 286839991 ZHSJVRWKFBIHDX-CQSZACIVSA-N 353.344 2.816 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2CC(N3CCOCC3)C2)c1 223001111 BQDNKHDAGJUEPU-UHFFFAOYSA-N 352.434 2.519 0 50 FFAA CCCOc1ccccc1C(=O)N1CCN(c2ccccc2OC)C(=O)C1 82098567 AMNILMLYSKBMFS-UHFFFAOYSA-N 368.433 2.973 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)CCn2c(=O)oc3ccc(C)cc32)n1 221199153 OPZZCGRGODWBTM-ZDUSSCGKSA-N 370.409 2.602 0 50 FFAA Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCCO3)CC1 82161432 BLYRAILVSCEDAO-GOSISDBHSA-N 368.481 2.530 0 50 FFAA CC(C)CC[C@@H](C)NC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 426493164 KQQNHRWAZDHMGQ-MRXNPFEDSA-N 370.501 2.656 0 50 FFAA CC(C)c1nc(CN(C)C(=O)N[C@H](Cn2cccn2)c2ccccc2)no1 426628325 SOEDTODHOKOQTE-MRXNPFEDSA-N 368.441 2.972 0 50 FFAA Cc1ccc(C(=O)NCC2CCN(C3CCN(C)CC3)CC2)n1C(F)F 426370455 KPWKPQUQHQLQKB-UHFFFAOYSA-N 368.472 2.728 0 50 FFAA Cc1noc(C)c1CCCNC(=O)Nc1ccc(C(N)=O)c(Cl)c1 84854073 DPKHOCNGGYPQDQ-UHFFFAOYSA-N 350.806 2.798 0 50 FFAA CCn1ncc(NC(=O)Cn2nc(C)c(-c3cccc(C(C)=O)c3)c2C)n1 48087922 WIUFYDIPNYVPDN-UHFFFAOYSA-N 366.425 2.620 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2cc(N)nc(SC)n2)cc1 426387595 CRHMTDREKOGQBY-OAHLLOKOSA-N 372.494 3.089 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95531321 IWXUKHMFXNVRPL-OXQOHEQNSA-N 373.836 2.959 0 50 FFAA COc1ncc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1C(N)=O 292617776 FVIAJIZPAWKDSD-INIZCTEOSA-N 366.421 2.948 0 50 FFAA Cc1c(CNC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)oc2ccccc12 292942663 JINHUFCRLBULEA-RHSMWYFYSA-N 364.467 2.896 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1Cl 180285398 KKWORYHDPGZPTM-CQSZACIVSA-N 364.854 2.732 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)CC2CCCC2)CC1 92019755 RELOIHFGHTVLAJ-UHFFFAOYSA-N 370.501 2.829 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3nn(C)c4c3CCCC4)C2)c1 95360519 PRYQBBGMZCOJQD-AWEZNQCLSA-N 369.465 2.946 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)ccc1F 95503340 YZTAFTFQSOMBSD-QGZVFWFLSA-N 358.461 2.912 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3nc4ccccc4cc3CO)C2)N1CC1CCC1 91819360 CNXXZYBDNQFFMB-PKOBYXMFSA-N 365.477 2.954 0 50 FFAA CN(C)c1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)ncn1 95353533 HQRAZGZLCZPVTO-QGZVFWFLSA-N 365.481 2.528 0 50 FFAA CN(Cc1cnc2ccccc2n1)C(=O)c1cnc(-c2cccnc2)nc1 95368610 VWFBAYWGCZVNNI-UHFFFAOYSA-N 356.389 2.754 0 50 FFAA O=C(c1cccnc1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95504381 JUKNJKVLXQVSTN-OAHLLOKOSA-N 353.451 2.803 0 50 FFAA CCN(C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCCC2)C[C@@H]1CO 91487124 XHXVRNHUVYXSOV-RTBURBONSA-N 358.526 2.907 0 50 FFAA Cn1cc([C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H]2C[C@@H](O)C2)cn1 244735137 NTKNQZHDLUGMBE-BYCMXARLSA-N 353.344 2.681 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 245226830 NQQTUEFYXYDZMJ-AQPSJQEXSA-N 351.402 2.845 0 50 FFAA CC(C)COC1CCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)CC1 298864844 IPVVXIZOPBGEHC-UHFFFAOYSA-N 369.483 2.530 0 50 FFAA O=c1ccccn1Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299786475 UNIAOPNQVYOOSN-KSZLIROESA-N 362.433 2.973 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2)c1cccc(F)c1F 299768142 GMGZKZJJZTUWGH-LURJTMIESA-N 352.318 2.503 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)Nc2cc(C3CC3)nn2C)CC1 299756975 FOOWTRUAPXVPRR-UHFFFAOYSA-N 354.458 2.745 0 50 FFAA CC[C@H](C)Cc1nc(C2(O)CCN(C)CC2)n(-c2ccc(OC)cc2)n1 822619984 FAIMSSFPUMJRIN-HNNXBMFYSA-N 358.486 2.778 0 50 FFAA COc1cc(-c2noc([C@H]3CCc4nnn(C5CCCC5)c4C3)n2)ncn1 952893268 HHKVVHMCOKMTBX-NSHDSACASA-N 367.413 2.514 0 50 FFAA CCN(C(=O)CN1CC[C@H](OC(F)F)C1)c1nc2ccccc2s1 952963101 XAAVIVDBNFRLEA-NSHDSACASA-N 355.410 2.963 0 50 FFAA Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)cc1 1875330634 WDLXAQZWHDURIX-JPUFDRJOSA-N 370.493 2.821 0 50 FFAA Cc1cc(S(=O)(=O)Nc2nc(C)n(-c3ccccc3)n2)c(F)cc1F 1875318764 VYCOSUKKYXHSQE-UHFFFAOYSA-N 364.377 2.963 0 50 FFAA C=CC(=O)N[C@H]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875385741 AJCIWUICJBBYOP-DTWKUNHWSA-N 359.373 2.505 0 50 FFAA C[C@@H](NC(=O)c1cncnc1N[C@H]1CCSC(C)(C)C1)c1cn(C)cn1 1875360706 GUPLQITZTBVNDR-OLZOCXBDSA-N 374.514 2.787 0 50 FFAA O=C(NCC1CCN(c2ncccn2)CC1)c1cc(Cl)nc(Cl)c1 1875363311 CCHJXHNLMNNLQB-UHFFFAOYSA-N 366.252 2.825 0 50 FFAA Cc1ccc(OC2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1C 302771351 CDEGNXTUHWYJIN-UHFFFAOYSA-N 368.481 2.978 0 50 FFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cnn(Cc2ccccc2)c1 275539997 MOKBQXKXGIMYDB-AZUAARDMSA-N 351.454 2.532 0 50 FFAA Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)c(F)c1Cl 278780891 QGOUOIJEPCRHAC-UHFFFAOYSA-N 363.820 2.949 0 50 FFAA CCc1ccc([C@H](CNc2cc(-n3cccn3)nc(N)n2)N(C)C)cc1 170663854 ZHQXUGIDNORBEK-INIZCTEOSA-N 351.458 2.522 0 50 FFAA O=C(NCCOc1ccc(F)c(F)c1)N1CCC([C@H]2CCCO2)CC1 187506626 WCTQVMRTCFTSHE-QGZVFWFLSA-N 354.397 2.944 0 50 FFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2noc(C3CCC3)n2)cc1OC 1506403985 DJDPDOBBBQNFBA-INIZCTEOSA-N 361.398 2.612 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)Cc3ccc4c(c3)OC(F)(F)O4)C[C@@H]2CC1=O 1704339427 FVZSGTDVGAWJFQ-HZSPNIEDSA-N 352.381 2.697 0 50 FFAA c1ccc(C[C@@H]2Cc3nnc(-c4csc(N5CCOCC5)n4)n3C2)cc1 1800416022 INKFQWBKDDMRPW-OAHLLOKOSA-N 367.478 2.653 0 50 FFAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H]2COCC[C@]2(CO)C1 1772703546 MINHIQAHCLHNBN-QVKFZJNVSA-N 354.450 2.518 0 50 FFAA COc1cc(CN2C[C@@H]3CN(Cc4ccc(C)o4)C[C@]3(CO)C2)ccc1F 1772707958 ZIAYOFTVBUPCDH-UTKZUKDTSA-N 374.456 2.662 0 50 FFAA C/C=C(\C)CN1C[C@H]2CN(C(=O)c3ccc(C)nc3C)C[C@]2(CN(C)C)C1 1772819981 ZIXKWZHDDSOEAQ-GDHFIGBISA-N 370.541 2.600 0 50 FFAA Cn1c(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc2ccccc21 11938410 JEDPSBYFSXVNPZ-QGZVFWFLSA-N 365.408 2.848 0 50 FFAA CCCN1CCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CCC1=O 12184990 ZGUAIRUGRDEIQH-UHFFFAOYSA-N 368.481 2.633 0 50 FFAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2c[nH]cn2)C1 12447392 JAYQXHRPENWBTP-HXUWFJFHSA-N 355.438 2.828 0 50 FFAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](NCC1CC1)CC2 14542377 DTSLRZDQLGCYCK-QGZVFWFLSA-N 352.482 2.549 0 50 FFAA CC[C@@]1(C(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)C[C@@H]2CC[C@H]1N2 1857672320 RHDHKJMGFCXROF-QKYXUNIQSA-N 363.452 2.530 0 50 FFAA CO[C@H]1CNC[C@@H]1n1ccnc1-c1cc(F)ccc1-n1nc(C)cc1C 1857673932 UBJPIKUIESEGPU-ROUUACIJSA-N 355.417 2.651 0 50 FFAA NC(=O)c1cc(N2CCC(Cc3ccc(O)nc3)CC2)nc2ccccc12 1857674554 NKIWLCKQYQTSQL-UHFFFAOYSA-N 362.433 2.893 0 50 FFAA C[C@]1(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)CC12CCNCC2 1857687510 VBEKBMCJHMCWGE-HXUWFJFHSA-N 370.497 2.579 0 50 FFAA CN(C)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857718489 WONHMPMOBOOOHP-VQTJNVASSA-N 368.433 2.618 0 50 FFAA CC(=O)N1CCC(C2CCN(c3nc4ccccc4n3CCO)CC2)CC1 1857722534 KTFCPNHMEKZXBM-UHFFFAOYSA-N 370.497 2.504 0 50 FFAA COc1cc(F)c(CN2C[C@H](C(=O)O)[C@@H](c3ccccn3)C2)cc1OC 247871442 DHWFZQQFPQJSJS-KBPBESRZSA-N 360.385 2.538 0 50 FFAA C[C@]12CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@H]1C=C[C@@]2(O)C(=O)O1 256403004 AALLCALQGXXWNA-ZXAQGRAWSA-N 358.390 2.533 0 50 FFAA endogenous,in-man COc1cc(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@H]32)ccc1OCc1cccnc1 906094191 DLTJHYOLNBDIDV-UIAACRFSSA-N 366.417 2.511 0 50 FFAA C[C@H]1CCCN(c2nc3nonc3nc2Nc2ccc3c(c2)OCO3)C1 677617 IAXVPOAFNWXWSA-JTQLQIEISA-N 354.370 2.721 0 50 FFAA Cc1nc2c([nH]1)[C@@H](C(=O)Nc1ccc3c(c1)cc(C)c(=O)n3C)CCC2 2325806353 JWTLKBGZJPPFJV-HNNXBMFYSA-N 350.422 2.937 0 50 FFAA Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@]1(c2ccccc2)CCNC1 2325856696 ZQHRYWGPJWJVRA-OAQYLSRUSA-N 364.424 2.938 0 50 FFAA Cc1cccc(C)c1-n1nnnc1CSc1ncnc2scnc12 2325862426 TYHBAAHRVZBQSN-UHFFFAOYSA-N 355.452 2.971 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2csc(Br)c2)C1 2325888548 CKSNBXVSSDMEKC-LLVKDONJSA-N 357.273 2.551 0 50 FFAA C[C@H](Cc1ccccc1)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O 607932 JKNDAGNFBPJGEF-QGZVFWFLSA-N 361.445 3.000 0 50 FFAA in-man Cc1ccc(CN(c2ccc(C(=O)NC3CC3)cc2)S(C)(=O)=O)cc1 1128190 ZVDUVTPHGCFSHA-UHFFFAOYSA-N 358.463 2.853 0 50 FFAA COc1cc(-c2nn3c(-c4ccccn4)nnc3s2)cc(OC)c1OC 2378961 GXFDAQDVLPTKHF-UHFFFAOYSA-N 369.406 2.941 0 50 FFAA CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2830273 PKWYVBFDNQJFIS-UHFFFAOYSA-N 368.480 2.566 0 50 FFAA O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 2857106 UIRMOEAUJSXBSN-CYBMUJFWSA-N 372.252 2.849 0 50 FFAA Cc1ccccc1NC(=O)CS[C@@H]1CC(=O)N(c2ccccc2)C1=O 2860918 ZADMXLHOVXQNIY-MRXNPFEDSA-N 354.431 2.999 0 50 FFAA CCC[C@@]1(CO)CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@@H]1O 2356147819 QNQGEWICGOLTIG-SFTDATJTSA-N 364.505 2.948 0 50 FFAA COC(=O)c1cc(NC(=O)CSc2ccccc2)cc(C(=O)OC)c1 3604024 UBFWZPCARKUZMR-UHFFFAOYSA-N 359.403 2.991 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2ccc(Cl)cc2)C1=O 2356165304 BREGMJKHABLWAZ-KRWDZBQOSA-N 370.902 2.896 0 50 FFAA O=C(Nc1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6698653 FVDRXCIMJYZYCE-AWEZNQCLSA-N 372.252 2.849 0 50 FFAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 7708516 ROVYCMPWFMYSAJ-UHFFFAOYSA-N 352.362 2.892 0 50 FFAA CC[C@@H](Cn1cncn1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 225408450 COUQVRDYGHLTCT-KBPBESRZSA-N 369.391 2.824 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 56239266 VPCPWSNURJENSQ-UHFFFAOYSA-N 365.433 2.696 0 50 FFAA CCN(Cc1ccncc1)C(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55133282 PGYVAYYDGVFYIJ-IBGZPJMESA-N 351.450 2.787 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1 20201777 NBONBHRBXKJQCR-IBGZPJMESA-N 358.457 2.903 0 50 FFAA C[C@@H](NC(=O)CN1CCNC(=O)C[C@H]1c1ccccc1)c1ccc(F)cc1 248377375 GLVQWMYOXRIPRX-BEFAXECRSA-N 369.440 2.566 0 50 FFAA COC(=O)C(C)(C)NC(=O)c1cc(COc2ccccc2SC)on1 67641422 BNLFJCHFHNFGRW-UHFFFAOYSA-N 364.423 2.657 0 50 FFAA Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)Nc2c1c(-c1cccnc1)nn2C 65459641 NIJXHRHWEQUKJE-NSHDSACASA-N 356.817 2.652 0 50 FFAA Cc1cccnc1CN(C(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1)C(C)C 71760798 JOBRFVJOEVUFCD-LJQANCHMSA-N 372.557 2.933 0 50 FFAA Cn1nc([C@H]2CCCN(Cc3cccc(O)c3)C2)n(-c2ccccc2)c1=O 67956436 NNXBCSLFBHOHMB-KRWDZBQOSA-N 364.449 2.656 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3nc(C)nc3C)C2)cc1 11844210 LISLVWBEPUPJPL-MRXNPFEDSA-N 372.494 2.738 0 50 FFAA O=C1CC[C@@H](CC(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)N1 67833813 LYWGJQLKDBRPLM-HNNXBMFYSA-N 374.444 2.783 0 50 FFAA COc1ccc(CC[C@@H]2CCCCN2S(=O)(=O)NC(C)C)cc1OC 330714154 AKBQZCGPNIZNQT-INIZCTEOSA-N 370.515 2.734 0 50 FFAA C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 252678887 HDTUAKCFVKJSMW-DGCLKSJQSA-N 355.891 2.885 0 50 FFAA Cc1cc(C(=O)N2CCc3ccnc(O)c3C2)c(C)n1Cc1ccncc1 427803427 LZSHOJBKZVRCGA-UHFFFAOYSA-N 362.433 2.847 0 50 FFAA CN1C(=O)C[C@@H](CNC2CC(c3ccccc3F)C2)[C@@H]1c1cnn(C)c1 328617606 CWWAWMMEJINSKA-QUWZQRFGSA-N 356.445 2.614 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC(N2CCSCC2)CC1 77537064 ASQHINXYBDFEON-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA CCCN(Cc1ccc(OCC)cc1)C(=O)[C@@H]1CC2(CCNCC2)CN1C 72469652 AFQHLIFODUEQCR-FQEVSTJZSA-N 373.541 2.898 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN(Cc2ccon2)CC1 172798016 RIZXHVUMBFMLNU-UHFFFAOYSA-N 353.344 2.580 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)ccc1NC(=O)CC(C)C 172743070 JOYGHZDGVAMFQA-SFHVURJKSA-N 371.481 2.863 0 50 FFAA Cn1cc(C(=O)N2CC[C@@H](OCc3ccncc3)C2)c(-c2ccoc2)n1 366061114 MDJZCUXVSFZLAJ-MRXNPFEDSA-N 352.394 2.506 0 50 FFAA CCc1cccc(OCCCN(C)C(=O)[C@@H]2CC3(CCNCC3)CN2C)c1 72454440 VFKSKQSECVDEPO-FQEVSTJZSA-N 373.541 2.550 0 50 FFAA CCn1ccnc(N2CCC(N[C@@H](C)c3ccc4c(c3)COC4)CC2)c1=O 330040698 BJWPSEWIPZSGDX-HNNXBMFYSA-N 368.481 2.613 0 50 FFAA O=C(NCc1ccn(C2CCCC2)n1)[C@H]1CCCCN1C(=O)c1ccco1 126209849 QTZIWGMDMCDGCF-QGZVFWFLSA-N 370.453 2.902 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1ccccc1OC(F)F)C2 72429525 DQULSXQRMJGZCT-UHFFFAOYSA-N 365.380 2.908 0 50 FFAA O=C1NCCN1[C@@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 369565688 BVCJIDCVOAITAN-OAHLLOKOSA-N 361.511 2.966 0 50 FFAA COc1ccc(F)cc1C(=O)NCc1ccccc1CN1CCCC1=O 74308605 HCZZVFBKMXGUAM-UHFFFAOYSA-N 356.397 2.887 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCC[C@H]4C)nc3c(=O)n2C)c(C)o1 72430004 WHWKZSBWFXMPIT-LLVKDONJSA-N 354.410 2.534 0 50 FFAA CCn1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 77440480 FDKDISYOIPUQKW-HXUWFJFHSA-N 360.502 2.794 0 50 FFAA Cc1ccc(SCC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1 375340771 GRVJNQGTQLGHDY-INIZCTEOSA-N 372.494 2.863 0 50 FFAA COc1ccc2nc(CN3CCC(Oc4ncccc4F)CC3)[nH]c2n1 447353560 FXXNSLUBBTXCHM-UHFFFAOYSA-N 357.389 2.544 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2ccnn2C)CCCN1Cc1ccc(F)cc1 71749902 GNFCUIPKWXJTQZ-IBGZPJMESA-N 358.461 2.932 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 77420698 VCDXLVVNLAHBPX-UHFFFAOYSA-N 366.408 2.838 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccc(OC(F)F)cc1)C2 72167173 NUGCMHFRHTUWDJ-UHFFFAOYSA-N 351.353 2.518 0 50 FFAA Cc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)c[nH]1 72479050 ZXEVKMHJWMZHKF-MAUKXSAKSA-N 358.511 2.835 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(Cc2c(C)nn(CCO)c2C)CC1 72166714 SYUGGVYMRLQMFO-UHFFFAOYSA-N 355.482 2.615 0 50 FFAA COc1ccc(NC(=O)CNc2cccc(-n3ccnn3)c2)cc1Cl 132385224 GARRIEPTBHICDF-UHFFFAOYSA-N 357.801 2.980 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3ccc4cccnc4c3O)C2)CCC1=O 72409253 QBWTYNXYVMXUHK-NRFANRHFSA-N 367.449 2.805 0 50 FFAA O=C(O)c1cnn(C2CCN(C(=O)c3nccc4ccccc34)CC2)c1 263234064 SJCYLYYGPKAADF-UHFFFAOYSA-N 350.378 2.607 0 50 FFAA COc1cccc(N2CCN(C(=O)c3csc(C(C)C)n3)CC2=O)c1 82100033 YQNPYFZJUQJTSR-UHFFFAOYSA-N 359.451 2.764 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 178810854 MCJKXQOOEISFTG-FGTMMUONSA-N 356.447 2.940 0 50 FFAA Cc1cccc2c1OC[C@H](NC(=O)Nc1ccccc1Cn1cncn1)C2 289919728 VIBGQGLUVZOVOG-QGZVFWFLSA-N 363.421 2.760 0 50 FFAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCC(C(=O)O)CC1 41095894 GCCNLLOVAGNUFU-UHFFFAOYSA-N 352.239 2.787 0 50 FFAA CCc1nc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)no1 426641518 LMZYLICOQNCVNK-CYBMUJFWSA-N 368.441 2.608 0 50 FFAA Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82106606 SSMNUZIFZOFYTQ-SFHVURJKSA-N 363.465 2.993 0 50 FFAA COc1cc([C@@H](C)NC(=O)N(C)CCN2CCCC2)cc(OC)c1OC 426642920 PFLYFGHEKBNBAC-CQSZACIVSA-N 365.474 2.511 0 50 FFAA Cc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95528274 JOWQNTZDYGHCIA-XJKSGUPXSA-N 373.453 2.854 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)N(C)C)cc1 95363681 OIZIMUXTNNDTCT-NRFANRHFSA-N 366.509 2.727 0 50 FFAA CN(c1ccccc1)c1ccc(CN2CCN([C@@H]3CCNC3)CC2)cc1 97527194 DLGOABFZEVGYRW-JOCHJYFZSA-N 350.510 2.934 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)N(C)Cc3cnccn3)CC2=O)cc1 91519235 ZKRXGGLGSNZGCP-MRXNPFEDSA-N 352.438 2.612 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n(Cc2ccccc2)n1 96132997 FXUJAVIVXHUHHD-SFHVURJKSA-N 354.454 2.520 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)Nc2ccc3c(c2)nnn3C)C1 97756467 MMUAIUOHEHCAGR-UHFFFAOYSA-N 351.410 2.880 0 50 FFAA CCN(CC)Cc1cccc(NC(=O)N2CCC(N3CCOCC3)CC2)c1 96164074 PGVHDRDQYBKIPK-UHFFFAOYSA-N 374.529 2.857 0 50 FFAA CCc1nc(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)no1 91562830 PIGGUEUKPPBGPF-HXUWFJFHSA-N 371.437 2.775 0 50 FFAA CCc1cc(CN2CCC3(CC2)CCN(Cc2ccoc2)C[C@H]3CO)n[nH]1 97653972 TWDZIAZBEVQULC-SFHVURJKSA-N 372.513 2.662 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCc3cccnc3)CC2=O)cc1 91915392 LRENBLLPSOQZEC-SFHVURJKSA-N 351.450 2.917 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2OC)n[nH]1 97568824 CJBOKAIDNUBMEU-GOSISDBHSA-N 366.421 2.940 0 50 FFAA CCCNC(=O)C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 91390972 HOJVSKDNNNYSGJ-INIZCTEOSA-N 368.481 2.837 0 50 FFAA COc1ccc(F)cc1[C@@H](Nc1nc(N(C)C)ns1)[C@H]1C[C@@H](O)C1 244874282 WYEHPRJVZMOVNB-PXWWUCIGSA-N 352.435 2.676 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2ccccc2F)CC1 244828494 TWZJBUZPTOUHEO-OAQYLSRUSA-N 367.468 2.967 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCCS1(=O)=O 183176978 QWITWDQOMFHAPV-UHFFFAOYSA-N 374.340 2.845 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1C(F)(F)F 299744030 NKKFJTPXTMHEHA-NXEZZACHSA-N 353.699 2.743 0 50 FFAA Fc1cccc(F)c1CN1CCn2nc(CNc3cnccn3)cc2C1 299783216 ZRGRHNHLUNHDQO-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA COc1nccnc1-c1cccc(C(=O)N(C)[C@H](C)Cc2cnccn2)c1 299788915 XBFOPFGYNDOFGX-CQSZACIVSA-N 363.421 2.645 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 299774943 JGNAOPHEVKVLBG-ROUUACIJSA-N 359.445 2.527 0 50 FFAA CN1CCN([C@H]2CCN(C(=O)C3(c4ccccc4)CCCCC3)C2)CC1 299757235 JXOUPPHVYXCEMX-FQEVSTJZSA-N 355.526 2.737 0 50 FFAA Cc1noc(CC2CCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)CC2)n1 299772707 APGRAYTUPDTGIU-UHFFFAOYSA-N 371.416 2.807 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)C[C@@H](C)n3ccnc3C)nc2c1 299763037 OHKMWIPZMFSSTK-CYBMUJFWSA-N 355.442 2.729 0 50 FFAA O=C(Nc1ccccc1OCCCc1ccccc1)N1CC[C@](O)(CO)C1 299778024 PHKVIVNELSOFLG-OAQYLSRUSA-N 370.449 2.659 0 50 FFAA COCc1nc(CCCN2CCCC2=O)n(Cc2ccc(Cl)cc2)n1 824490577 MNMSKNJULAIQIO-UHFFFAOYSA-N 362.861 2.681 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2)c(Oc2ccccc2)c1 952888885 PIJOTOHKBJINMF-SJORKVTESA-N 354.406 2.609 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@@]3(CCC(=O)N(C)C3)C2)cc1 952988734 OYTSCUAZABXJAZ-NRFANRHFSA-N 368.481 2.715 0 50 FFAA Cc1nnc(N2C[C@H]3CCC[C@H]2[C@H]3CNC(=O)c2ccc3c(c2)CC3)o1 1875406692 KBTOHPMMDKWFPI-SQNIBIBYSA-N 352.438 2.512 0 50 FFAA Cc1ccc(O[C@@H](C)c2nc(CC(N)=O)nn2CC(F)(F)F)cc1C 952860278 KSDQMQDLWUWRFA-NSHDSACASA-N 356.348 2.625 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(C/C=C/c3ccccc3)C2)ccn1 886097115 OCGQOIJCKQYSPJ-WKOQKXSESA-N 351.450 2.884 0 50 FFAA Cc1nnc(COC2CN([C@@H](C)c3ccc(-n4ccnc4C)cc3)C2)o1 886091674 ICJNQCSEYTWVCU-ZDUSSCGKSA-N 353.426 2.834 0 50 FFAA Cc1nc(N)sc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565517191 JUJNYAZEWPBQDQ-CVEARBPZSA-N 356.495 2.770 0 50 FFAA Cc1ccc(CNC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cc1 1565525898 OBDUGESWWFKJNF-OALUTQOASA-N 355.438 2.564 0 50 FFAA COCc1ncc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cn1 1565509808 COTPTPLFPACVQP-QUCCMNQESA-N 352.482 2.719 0 50 FFAA O=C(CN1C(=O)CCc2ccccc21)N[C@H]1CCCOc2ccccc21 110265656 YVYCYSSAVYBFFW-KRWDZBQOSA-N 350.418 2.996 0 50 FFAA CC1=NN(c2ccc(C(=O)N[C@H]3CCCO[C@@H]3c3nccn3C)cc2)CC1 275464389 SCGOTWGYSVXNBM-ROUUACIJSA-N 367.453 2.656 0 50 FFAA OCCO[C@@H]1CCCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 169987440 NLEINCQFSWQFPX-GFCCVEGCSA-N 368.359 2.535 0 50 FFAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C(F)(F)F)nc1 278822893 ISHLRPQUNAGJJT-LBPRGKRZSA-N 372.391 2.817 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cn(Cc3ccccc3)nn2)C1 170601814 AGIJDEURVSCXFU-HNNXBMFYSA-N 371.441 2.522 0 50 FFAA COC(=O)CNC(=O)c1ccc(NC(=O)Nc2cccc3[nH]ccc23)cc1 170626530 WZEXHHJODBETAI-UHFFFAOYSA-N 366.377 2.715 0 50 FFAA Cc1csc([C@@H]2CCCN(C(=O)c3c(C)nn(C)c3-n3cccn3)C2)n1 189925767 PQEBEJOUVBSJSE-CQSZACIVSA-N 370.482 2.699 0 50 FFAA CO[C@@H](C)CCC(=O)N[C@@H](CC(=O)O)c1ccc(Br)cc1 190686539 GKLFIKVUNWCGCI-GWCFXTLKSA-N 358.232 2.896 0 50 FFAA O=C(c1cc(N2CCOCC2)ccn1)N1CCC(c2ccsc2)CC1 190825960 XMJHODZLNCKSGX-UHFFFAOYSA-N 357.479 3.000 0 50 FFAA Cc1cc(N2CCC(N[C@@H](c3cccnc3)c3ncc[nH]3)CC2)nc(C)n1 195054732 OGQGINWNXZMHIW-IBGZPJMESA-N 363.469 2.560 0 50 FFAA CC(=O)Nc1ccc(CN2CCCN(C(=O)c3cccnc3C)CC2)cc1 1775978131 LVPGKOQFDJDDNI-UHFFFAOYSA-N 366.465 2.697 0 50 FFAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@@H](C2(O)CC2)C1 1772819971 ZBOQFXDRDAMVDR-MRXNPFEDSA-N 353.422 2.991 0 50 FFAA Cc1c(C(=O)N2CCCN(Cc3cccc4ncccc34)CC2)cnn1C 1775976592 BYYDAJKOJPTCKE-UHFFFAOYSA-N 363.465 2.625 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N(Cc1ccccn1)C[C@@H]1CCCO1 11665367 PFWDZZFYGSWPRI-SFHVURJKSA-N 369.469 3.000 0 50 FFAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CC=C(c2ccccc2)CC1 12073966 DVLHCSIKLCGBDS-JOCHJYFZSA-N 354.494 2.929 0 50 FFAA Cc1cc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)nc(N)n1 12297936 JYHYUFOIMJLMFQ-SFHVURJKSA-N 367.497 2.536 0 50 FFAA COc1ccc(Cn2nccc2NC(=O)[C@H]2COc3ccccc3O2)cc1 12323257 APUSYYSZKQUHEH-GOSISDBHSA-N 365.389 2.719 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N2CCN3CCC[C@@H]3C2)no1 12595187 HILQUIRKKKDOLY-CQSZACIVSA-N 373.478 2.896 0 50 FFAA CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 13322989 FOQWZYSFZDAVSF-UHFFFAOYSA-N 373.478 2.787 0 50 FFAA Cc1ccoc1C(=O)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 15074738 ROMLYRYLFFFHEW-FQEVSTJZSA-N 353.422 2.638 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)s1 169779831 LHUUITYGUJFQRL-UHFFFAOYSA-N 356.451 2.723 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)C[C@@H]1CCCOC1)CC2 1857696921 QWMIVYFUZVSARE-INIZCTEOSA-N 353.466 2.831 0 50 FFAA C[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1c1ccc(F)cn1 1857700946 DKAUFAKPERTCFU-AWEZNQCLSA-N 367.428 2.767 0 50 FFAA CNC(=O)CN1CCC(N[C@@H]2CCCOc3c(C(C)C)cccc32)CC1 121886992 KGUISMYCBURBHV-LJQANCHMSA-N 359.514 2.824 0 50 FFAA O=C([C@H]1COc2ccc(Cl)cc2C1)N1CC[C@H](Oc2ccccn2)C1 330063536 QDTVKCOWFGBXSV-ZBFHGGJFSA-N 358.825 2.966 0 50 FFAA Cc1c[nH]cc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1=O 332160589 IYBVAJAXOPMRHP-AWEZNQCLSA-N 359.857 2.856 0 50 FFAA CNC1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 237114284 JSVDMOOVURDAQX-HXUWFJFHSA-N 365.477 2.758 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 237536876 YCWCHNQTQGJEBJ-WPRPVWTQSA-N 356.797 2.859 0 50 FFAA CCN1CC[C@@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@H](C)C1 128653669 CNZNMZHJPXWGMB-SJLPKXTDSA-N 355.486 2.744 0 50 FFAA CCOc1ccccc1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 363820396 HYOZINIWRJFGIC-UHFFFAOYSA-N 359.514 2.575 0 50 FFAA CCOC(=O)CCCCN1CCOC[C@H]1c1nc(-c2ccccc2)no1 375705433 GCXPNRNRCBLPSA-INIZCTEOSA-N 359.426 2.843 0 50 FFAA CCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 1141582 DSXGADJJNYHAGC-UHFFFAOYSA-N 365.407 2.681 0 50 FFAA CSCC[C@@H]1NC(=O)[C@@H](Cc2cccc(Oc3ccccc3)c2)NC1=O 2325772241 DRLRPAIYHVIHBI-ZWKOTPCHSA-N 370.474 2.758 0 50 FFAA O=C1N[C@H](C2CC3(CCC3)C2)C(=O)N[C@@H]1c1csc(Br)c1 2325777006 XPDDEEYBYCZCEJ-VXGBXAGGSA-N 369.284 2.747 0 50 FFAA Cc1cccn2c(NC(=O)c3csc(C[C@@H]4CCCNC4)n3)cnc12 2325780173 MCSWBLLDYBAQGE-ZDUSSCGKSA-N 355.467 2.894 0 50 FFAA O=C(NC1CC2(CCC(CO)CC2)C1)[C@H]1NCC2(CC2)c2ccccc21 2325790969 BDZLNYHKCPOYDV-SKSGXQKHSA-N 354.494 2.810 0 50 FFAA Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccc3c(c2)CCCNC3)c1 2325796149 VZYMGTBNXPOJME-UHFFFAOYSA-N 361.449 2.996 0 50 FFAA Cn1nnc(C(=O)Nc2cnn(CC(F)(F)F)c2C2CC2)c1C(F)F 2325799383 RYMRQLCYPDSABU-UHFFFAOYSA-N 364.278 2.641 0 50 FFAA CN(C)CCCC(=O)N(C)CCCN(C)Cc1cccc2cccnc12 2325866952 GGWKHINNWMRWLI-UHFFFAOYSA-N 356.514 2.857 0 50 FFAA CN(C)C(=O)c1csc(NC(=O)c2csc(-c3cccnc3)n2)n1 2325873933 ZIMRDVOVDMJOOH-UHFFFAOYSA-N 359.436 2.616 0 50 FFAA CCOC(=O)c1sc2ncn([C@H](CC)C(=O)OC(C)C)c(=O)c2c1C 921191 FFXIQBQRLCIJJJ-LLVKDONJSA-N 366.439 2.846 0 50 FFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 1078086 BEGJURCMFJRGGY-OAQYLSRUSA-N 367.401 2.675 0 50 FFAA O=C(COc1ccc(I)cc1)c1ccc(O)cc1O 1504621 KAOSGJDFOBWCKA-UHFFFAOYSA-N 370.142 2.964 0 50 FFAA biogenic CCCc1cnc(C)nc1N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 2356133971 QFGSHEJDHYAWNX-WIYYLYMNSA-N 369.465 2.622 0 50 FFAA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)Nc1nccc2nncn12 2356149515 FMPIESVOAOEPRD-ZDUSSCGKSA-N 363.425 2.872 0 50 FFAA COc1ccc(CCN(Cc2ccn3ncnc3c2)C[C@H]2CCCO2)cc1 2356153147 UGKGBAUNZZHFLU-HXUWFJFHSA-N 366.465 2.962 0 50 FFAA O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 6509361 RZQDGBSAECUNPV-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA CCCn1nccc1C(=O)Nc1cc(C(N)=O)ccc1N1CCC[C@H](C)C1 55370186 RPHKCBYXZYWXJZ-AWEZNQCLSA-N 369.469 2.881 0 50 FFAA CN(Cc1ccc2nonc2c1)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 55168549 XJNLBYVNUZXKCD-UHFFFAOYSA-N 363.377 2.974 0 50 FFAA c1ccc(CN(Cc2nc(-c3ccccn3)no2)C[C@H]2CCCO2)nc1 55225920 NNKFHCWTSOJOOG-MRXNPFEDSA-N 351.410 2.708 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 10691296 JPTQIZIXHICOPE-UHFFFAOYSA-N 359.470 2.587 0 50 FFAA CN1CCN(CCCN2C(=O)CS[C@@H]2c2ccc(Cl)cc2)CC1 22146200 UALDBCIKQIVWLO-QGZVFWFLSA-N 353.919 2.552 0 50 FFAA CC(C)c1ccc(-c2csc(NC(=O)CCNS(C)(=O)=O)n2)cc1 115896584 YNBQBTJMUVVGAF-UHFFFAOYSA-N 367.496 2.811 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1 23372908 DAJGFWYZUQKPKP-FQEVSTJZSA-N 356.466 2.859 0 50 FFAA O=C(NCc1cc(-c2ccccn2)no1)c1cccc(Cn2cccn2)c1 65435410 PNOUDHVEMRFSJO-UHFFFAOYSA-N 359.389 2.911 0 50 FFAA CCc1ccc(-n2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)n[nH]c2=O)cc1 65418792 VBAWBKPKSWUGNJ-QGZVFWFLSA-N 362.433 2.639 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1Cc1ccsc1 22851234 MWEKLXCIPCMJKW-MRXNPFEDSA-N 374.535 2.822 0 50 FFAA CCCN(C(=O)CN(C)[C@H]1CCSC1)[C@H](C)C(=O)Nc1ccccc1 252477297 LPNUPHWNAHJCHP-WBVHZDCISA-N 363.527 2.690 0 50 FFAA O=C1NC[C@H](CN2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)O1 67856624 BUWUXUUGHGYCLN-GFCCVEGCSA-N 367.327 2.827 0 50 FFAA C[C@@H](COC1CCCC1)CS(=O)(=O)N1CCOC[C@@H](C2CCC2)C1 328780949 UQIVSYVMACQOPA-RDJZCZTQSA-N 359.532 2.660 0 50 FFAA COC(=O)[C@H](NC(=O)CSc1nc2cc(C)ccc2[nH]1)c1ccccc1 4690218 WTGUDLFOUCWQOX-QGZVFWFLSA-N 369.446 2.994 0 50 FFAA CC(C)c1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nc2ncnn12 216242783 HHSGRYJHIGWGHA-QGZVFWFLSA-N 369.400 2.601 0 50 FFAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 12435393 MEZYHWKKTYVPRV-GOSISDBHSA-N 355.486 2.733 0 50 FFAA O=C(CCn1cc(Br)cn1)Nc1ccc(Br)cn1 6402586 HAHXDKPXSUZORA-UHFFFAOYSA-N 374.036 2.832 0 50 FFAA CCO[C@H]1C[C@H](O)C12CCN(c1cc(C)nc(-c3cccnc3)n1)CC2 151977836 HRDZYIKOOLTOTK-IRXDYDNUSA-N 354.454 2.603 0 50 FFAA CCCc1nc(C(=O)N2CC[C@]3(CCOC3)C2)nn1-c1ccccc1F 153506946 YIOLQJLJLZPLGN-IBGZPJMESA-N 358.417 2.612 0 50 FFAA O=C1CC[C@H]2CN(Cc3cccs3)CC[C@H]2N1CCCn1ccnc1 72474173 AQKFSKAQDGEKCG-FUHWJXTLSA-N 358.511 2.848 0 50 FFAA CC[C@H](C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237074036 ARHMVXVMXOGXJD-KGLIPLIRSA-N 359.344 2.901 0 50 FFAA CN(C)c1ccc(CCC(=O)NCC2(O)C3CC4CC(C3)CC2C4)cc1 219416404 UFNKQABVWVQPFR-UHFFFAOYSA-N 356.510 2.989 0 50 FFAA Cc1ccnc([C@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)C2CC2)c1 215244625 MJJCLMFUHAYPRY-OAHLLOKOSA-N 368.462 2.888 0 50 FFAA Nc1nc(C2CC(N)C2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 219521241 CRQMETOWAFCKJR-UHFFFAOYSA-N 373.888 2.965 0 50 FFAA CC(=O)Nc1cccc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)c1 215835104 FMWWNEQZGHIQOR-UHFFFAOYSA-N 361.405 2.629 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 77387157 CVMFHMXJAYKTGI-UHFFFAOYSA-N 366.421 2.922 0 50 FFAA Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)nc1 242263418 XYYYUHPOGNBVSW-CYBMUJFWSA-N 354.410 2.624 0 50 FFAA Cc1cc(C)cc([C@@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C(=O)O)c1 263133989 TUBKFXGMUHRRQK-BLLLJJGKSA-N 368.389 2.579 0 50 FFAA CC[C@@H]1CCCCN1CC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82096757 GNVBYNMVBQPOMJ-MRXNPFEDSA-N 363.889 2.780 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCCN(C(=O)c2ccco2)CC1 223410349 XTKTTWWXGZUXPQ-UHFFFAOYSA-N 350.850 2.577 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 426740444 JJQLUMVIPXVUJO-UHFFFAOYSA-N 364.789 2.940 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 290507252 FMZCWBDMFVZGGG-FQEVSTJZSA-N 359.445 2.552 0 50 FFAA CCOc1cc(CN2CCN(CC)C(C)(C)C2)ccc1O[C@H](C)C(=O)O 225342779 WJCBKAVGUWINSJ-OAHLLOKOSA-N 364.486 2.853 0 50 FFAA CCn1c(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)nc2ccccc21 426740625 UZUXOSPFCZZZTH-OAHLLOKOSA-N 367.453 2.717 0 50 FFAA NCCOc1cccc(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)c1 426371938 DKIRHPWMQUTCNW-HXUWFJFHSA-N 367.493 2.976 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CCCC[C@H]1CCn1cccn1 230550194 KKQRJZVRCVQAQJ-FQEVSTJZSA-N 352.482 2.713 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3ccccc3OCCN(C)C)[C@H]2C1 426402121 WCPSCPROCCUYCI-HLAWJBBLSA-N 362.514 2.785 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)Cc2noc(C3CCC3)n2)cn1 91872120 QFFHGFHAXQLVQI-UHFFFAOYSA-N 367.409 2.804 0 50 FFAA Cc1cc(C)c(CN2CCC(c3nncn3C)CC2)c(-n2cccn2)c1 97694907 KMSFXSSAMDLXII-UHFFFAOYSA-N 350.470 2.997 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)NCc1cc(-c2ccccn2)no1 426674310 SNCCWXJOZMCBAI-UHFFFAOYSA-N 370.384 2.533 0 50 FFAA CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)C1 239235632 WJULDALUBFMPGG-WMZOPIPTSA-N 372.465 2.717 0 50 FFAA O=C(c1ccc2[nH]cnc2c1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91845784 HDPSZTOMPOWTED-XJKSGUPXSA-N 367.478 2.756 0 50 FFAA Cc1cc(C)nc(-c2ccc(C(=O)NCC[C@H](C)N3CCOCC3)cc2)n1 426402149 YIRKPKZSBFVQPE-KRWDZBQOSA-N 368.481 2.601 0 50 FFAA CCCc1cc(CN(C)C(=O)Nc2ccccc2CN2CCOCC2)n[nH]1 95497670 QVGLVHSYJVCZCS-UHFFFAOYSA-N 371.485 2.858 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N[C@@H](CN)CC(C)C)cc1Cl 237169765 ULGIUMSFXULPTA-SECBINFHSA-N 355.287 2.654 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1cc(-c2ccccc2Cl)no1 91550596 XROANLWIANANMI-MRXNPFEDSA-N 359.817 2.651 0 50 FFAA COc1cc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)ccc1F 91830820 ZJHQIMHDZHRTFB-QZTJIDSGSA-N 350.478 2.751 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCc2nc(CSC)no2)c1 426549863 CUDYLLUMEVRNBR-UHFFFAOYSA-N 367.406 2.742 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCN(CCn2cccc2)CC1 91817770 XAWMCFLAOMBDRZ-UHFFFAOYSA-N 352.413 2.633 0 50 FFAA O=C(NCCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(C2CCCC2)C1 91644520 QRTMXWXFYDARHQ-GFCCVEGCSA-N 352.837 2.929 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 91289496 UATJDIACMFBWTG-HNNXBMFYSA-N 354.414 2.692 0 50 FFAA CN(C)c1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)cn1 294425257 DSLUDLKQUBZCPS-HNNXBMFYSA-N 372.494 2.715 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)C1 95352693 KJNVUCPFSKOMKD-KRWDZBQOSA-N 368.481 2.538 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccnc3ccccc23)[C@H]2C[C@@H](O)C2)cn1 244898969 ZESMXHHTIINLSB-QEEYODRMSA-N 363.417 2.880 0 50 FFAA Cc1cc(NC(=O)CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)no1 244601801 DRZSWQREBFALQW-OAHLLOKOSA-N 367.409 2.851 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccc(N2CCOCC2)cc1)C1CC1 252488290 IOPMOGPSQDIYAX-UHFFFAOYSA-N 368.481 2.678 0 50 FFAA CCOc1cc(NC2CCN(c3cnc4ccccc4n3)CC2)ncn1 184124535 OOUGDHWJLPHAAE-UHFFFAOYSA-N 350.426 2.899 0 50 FFAA O=C(NCC1CCCCC1)c1nnn2cc(-c3ccccc3)nc(O)c12 263616404 IMGIOELDIUJFTD-UHFFFAOYSA-N 351.410 2.807 0 50 FFAA CCCc1cc(-c2ccc(C(=O)N3CC[C@H](NC(C)=O)C3)cc2)nc(C)n1 534651147 ZHOAIEFJSIPNPI-IBGZPJMESA-N 366.465 2.755 0 50 FFAA O=C(O)CCc1ccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)cc1 534662615 YWAUFBSRLKZKQR-FQEVSTJZSA-N 355.434 2.736 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)c3n[nH]c4c3COCC4)cn2)c1 1940197205 YRQXMFQDLXCXRK-UHFFFAOYSA-N 366.377 2.931 0 50 FFAA O=C(NCc1cn2cccnc2n1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299794915 JGJHAXYCIKZQLH-OTWHNJEPSA-N 361.449 2.571 0 50 FFAA Cc1nccc(-c2cccc(NC(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)c2)n1 299799806 SUDQTHIMPGOIPB-WBVHZDCISA-N 365.437 2.537 0 50 FFAA CC(C)c1cc(NC(=O)NCCNC(=O)c2ccccc2Cl)n(C)n1 299760128 RVTGACMNCTWZQB-UHFFFAOYSA-N 363.849 2.748 0 50 FFAA Cc1cccc2nc(CNC(=O)[C@@H]3CC(Cc4ccc(F)cc4)=NO3)cn12 299767193 HEMJILSKOVEIMX-SFHVURJKSA-N 366.396 2.786 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc(OC)c(C)c3)cc2C1 299790646 BPUXHHKQDDAVQM-UHFFFAOYSA-N 356.470 2.746 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3Cc4ccccc4CN3C)n[nH]2)o1 825197759 BQFNQVIEGQYFEH-INIZCTEOSA-N 350.422 2.765 0 50 FFAA O=C(NCc1csc(-c2cnccn2)n1)c1ccc(CN2CCCC2)o1 828166347 CIFRQLPXWKPVJR-UHFFFAOYSA-N 369.450 2.719 0 50 FFAA Cc1nc(-c2cccc(C(=O)N[C@H]3CCC(=O)N(C)C3)c2)c2ccccc2n1 584901893 YVYXNUAJZDXWDH-KRWDZBQOSA-N 374.444 2.956 0 50 FFAA COc1ccc(C(=O)O)nc1-c1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 584886440 HVNBZLHFGRYHCP-BETUJISGSA-N 370.405 2.705 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)N2CCC(O)(CN3CCCC3)CC2)c1 584892652 YTFNOIUFQOHLHL-SFHVURJKSA-N 359.514 2.997 0 50 FFAA O=C([C@H]1CC[C@@](O)(c2ccccc2)C1)N1CCC(c2cc(O)no2)CC1 1875296219 KJUCAUBTDCTRAA-YWZLYKJASA-N 356.422 2.774 0 50 FFAA O=C([C@H](Cc1ccccc1)C1CC1)N1CCC(n2ncc3c2CNC3)CC1 1875276544 AFMUNYWCNLHVMT-HXUWFJFHSA-N 364.493 2.919 0 50 FFAA COC(=O)[C@H]1[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)[C@@H]2CCCC[C@H]21 1875344676 IRLZZTFSCNKWED-DTDBQYNISA-N 355.438 2.589 0 50 FFAA CCCc1nccn1[C@@H]1CCCN(C(=O)[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1875393265 BRSQBQZBJCKGMI-KBRIMQKVSA-N 370.419 2.541 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)ccn1 886095534 ZIGWRFKLFMKETF-SFHVURJKSA-N 357.429 2.505 0 50 FFAA CCOC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)CCO1 888100042 YULPPPARXUWZRY-PMPSAXMXSA-N 350.434 2.909 0 50 FFAA Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(CN3CCNC3=O)CC2)c1 893268131 AKJDNXIBBQYDFW-KRWDZBQOSA-N 372.513 2.681 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc2cc[nH]c2c1 1565509239 BZCJMSSHBZRDRG-RDJZCZTQSA-N 357.435 2.729 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(c4nccnc4C)CC[C@@H]32)o1 1565515663 VVJIVGHSZSASLR-AEFFLSMTSA-N 354.454 2.746 0 50 FFAA COc1cc(C)c(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1F 276000813 OYKOIEQIHBSGMS-WMLDXEAASA-N 362.405 2.918 0 50 FFAA Cc1cccc(CN2CCN(Cc3c(Cl)ncnc3N(C)C)CC2)c1 170616815 RVLVOFFLTRIRKX-UHFFFAOYSA-N 359.905 2.822 0 50 FFAA CN1CCC2(CC1)C[C@H](NC(=O)Cc1cncs1)c1ccccc1O2 187115807 XJUXDOYOJYODDB-INIZCTEOSA-N 357.479 2.790 0 50 FFAA Cc1cccc(CN(C(=O)c2c[nH]nc2-n2cnnn2)C2CCCCC2)c1 1506400364 FPCGWHOZEBXTOO-UHFFFAOYSA-N 365.441 2.669 0 50 FFAA CCn1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1C 1529121038 YOQBNESVXLJCGM-OAHLLOKOSA-N 370.453 2.990 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529120860 PVJACLJFTZWKSC-IJEWVQPXSA-N 371.456 2.873 0 50 FFAA O=C(O)CN1C[C@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772813941 BWQHDYSTMDJMEV-XLIONFOSSA-N 371.506 2.594 0 50 FFAA CCOc1cccc(CN2CCCN(C(=O)[C@@H]3CCCCN3C)CC2)c1 1775984029 XXPPRHGWHABPRS-FQEVSTJZSA-N 359.514 2.604 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)C(=O)c1ccccc1 11818392 UVVGANUQNBNFQP-LJQANCHMSA-N 372.424 2.940 0 50 FFAA COc1ccc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)c(OC)c1 16651244 IFPANFWQADHPRP-UHFFFAOYSA-N 359.407 2.642 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)c(OC)c1 19552384 AQGDURWQDWHQAW-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CCCOc1cc(Cl)c(CN2CC[C@H](CO)[C@H](O)C2)cc1OCC 1857720858 NRSLYGRVNZSDSC-CZUORRHYSA-N 357.878 2.703 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)c1 1857528613 UQBKEGHMBHTGPY-CVEARBPZSA-N 368.481 2.698 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)Cc1nc(-c3ccccc3)oc1C)C2 1857680932 YFOHRZKCRDBWSE-HXUWFJFHSA-N 369.421 2.636 0 50 FFAA C[C@@H](c1nc(-c2ccncc2)no1)n1ccnc1-c1cnn2cccnc12 1857695040 QZJTYBXDJIWUIQ-LBPRGKRZSA-N 358.365 2.647 0 50 FFAA COc1nc2c(cc1C(=O)N1C[C@H](c3ccccc3)[C@@H](C(=O)O)C1)CCC2 216597839 QWDMKFIOWSEDAE-SJORKVTESA-N 366.417 2.519 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 237127416 JSUJFWXJSXFZID-CHWSQXEVSA-N 359.253 2.572 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@H]2CCC[C@H]2N)CCOCC1 237267887 IUEBFMSBFBQVAD-GOEBONIOSA-N 366.889 2.640 0 50 FFAA O=C(Cn1cn[nH]c1=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 156229414 JKCRMCHOSHYMRS-UHFFFAOYSA-N 367.236 2.584 0 50 FFAA Cn1nc(C(=O)N(Cc2cccc(F)c2)C2CC2)c2ccccc2c1=O 914480505 QFQYNDRXOGXEEO-UHFFFAOYSA-N 351.381 2.877 0 50 FFAA O=S1(=O)CCC[C@@H]1CNc1nc(-c2ccccn2)nc2sccc12 858448478 NHMMQABWXRNWEO-LLVKDONJSA-N 360.464 2.742 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@@H](n2cc(I)cn2)C1 1565504891 AVKYPEJADQPLFE-SNVBAGLBSA-N 363.199 2.670 0 50 FFAA CC[C@H](O)c1nc(-c2nn[nH]c2Cl)n(Cc2ccc(Cl)cc2)n1 2325875940 GNGVQWVJQJIDOD-JTQLQIEISA-N 353.213 2.862 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)CC1 2325888061 XPCQKARCUKRVRS-HNNXBMFYSA-N 360.429 2.662 0 50 FFAA O=C(O)COC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 885244 YDCIZKWYNIMQJI-MRLCAUJQSA-N 354.358 2.512 0 50 FFAA CC(=O)c1cc(C)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 940817 XRRXQCHJXBGCSR-UHFFFAOYSA-N 351.358 2.789 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1Cl 1065545 SECWANCMGHZRDE-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 2064744 ZYXKIRJTRPUWBR-MRXNPFEDSA-N 360.479 2.947 0 50 FFAA CC(C)c1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 4869874 BQGLQAZHODPMAO-UHFFFAOYSA-N 356.422 2.766 0 50 FFAA Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 6726080 PJVXEVFDIILJEI-UHFFFAOYSA-N 359.451 2.533 0 50 FFAA CCN(Cc1ccncc1)C(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 55344560 DXONEFWPLQKJQM-UHFFFAOYSA-N 355.482 2.905 0 50 FFAA O=C(N[C@H]1CCc2ncnn2C1)c1cccc(OCc2cccs2)c1 112662524 ZSKIZACJHUJUHM-AWEZNQCLSA-N 354.435 2.663 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCN(C(C)C)C1=O 114656868 CQUISNRQBNKQJN-CQSZACIVSA-N 361.442 2.997 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccn3)C[C@H]2CCO)c(C)c1C 105902243 VXMGVEMKQRNMMA-OAQYLSRUSA-N 369.509 2.776 0 50 FFAA CCC(=O)Nc1cccc(OCC(=O)N(C)[C@@H](COC)c2ccccn2)c1 55154634 YZOYVXHZYKKYEW-SFHVURJKSA-N 371.437 2.655 0 50 FFAA COc1cc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 10542890 GNFQYECIOPSKPL-HUUCEWRRSA-N 364.486 2.810 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCCC[C@@H]1CCn1cccn1 20785476 TYTQIPPEUYXBMB-GOSISDBHSA-N 353.470 2.963 0 50 FFAA COc1cccc(CC2(CO)CCN(c3nc(C)ccc3C(=O)O)CC2)c1 67755338 FCGQIOPZDVSCQG-UHFFFAOYSA-N 370.449 2.918 0 50 FFAA CCc1nnc(CNc2nc(-c3ccccc3)nc3c2CCNC3)s1 67819069 VSSXGKFOEMJUSF-UHFFFAOYSA-N 352.467 2.815 0 50 FFAA CC(C)C[C@H](Nc1ncnc2sc3c(c12)CCNC3)c1ncnn1C 65375145 DXQMOJAISCYJGV-LBPRGKRZSA-N 357.487 2.665 0 50 FFAA O=C(CO)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67894291 UOXVJPZKFWCXGX-UHFFFAOYSA-N 355.415 2.987 0 50 FFAA C[C@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)n1cncn1 67805221 HKMYYDHPYPKWQD-CQSZACIVSA-N 350.426 2.635 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1 20783354 LFSKMGCIVNMBAM-KRWDZBQOSA-N 371.481 2.900 0 50 FFAA CC(C)CC1(NC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 67690470 LWHOXNKQOWTJLU-FQEVSTJZSA-N 366.452 2.987 0 50 FFAA Nc1nc2c(c(-c3cccnc3)n1)CN(C(=O)c1ccc(Cl)s1)C2 67872335 IDDLYJKSMNFEJY-UHFFFAOYSA-N 357.826 2.992 0 50 FFAA CCc1ncc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)s1 328633933 SWNSQBNTAKOZBU-CQSZACIVSA-N 372.494 2.994 0 50 FFAA Cc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@H](CCO)C2)c1C 72422887 DZKGAMNOPDMDFC-OAHLLOKOSA-N 372.435 2.928 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)N3CCCC[C@@H]3CCO)cc2)C[C@@H](C)O1 124268978 AJILTCAKKNUJJW-FUHIMQAGSA-N 360.498 2.673 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)on1 215970857 QHCDIJGMJWVDNX-UHFFFAOYSA-N 351.410 2.857 0 50 FFAA C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(F)ccc1-c1ccoc1 365318681 WWTQRGUEHBPXIX-GFCCVEGCSA-N 351.399 2.735 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@]3(C2)C(=O)Nc2ccccc23)cc1 72146241 RGWLADSMGNCXMD-HXUWFJFHSA-N 370.474 2.576 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2cc(F)ccc2F)C[C@H]1C(F)(F)F 262140502 HEHKQCZJFQVIFK-GHMZBOCLSA-N 351.271 2.619 0 50 FFAA Cc1ccc(OCC(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1 72430867 CUUQXIQAQWIBKX-UHFFFAOYSA-N 362.433 2.666 0 50 FFAA Cc1cc(C)n(CCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1 219363114 AONSGTUODKLAFP-MRXNPFEDSA-N 352.442 2.738 0 50 FFAA Cc1cc2occ(CC(=O)NCCN3CCC[C@H](CO)C3)c2cc1Cl 214978741 NIHYJBPHEFJNGO-AWEZNQCLSA-N 364.873 2.758 0 50 FFAA O=C1C[C@@H]([C@@H]2CCCCN2C(=O)Cc2cccc(OC(F)(F)F)c2)CN1 131198887 JUOPQXSULQQDFD-HIFRSBDPSA-N 370.371 2.645 0 50 FFAA COc1cccc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 20395020 HRMOJXIQDFTLDO-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA CC(C)C[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ncnn1C 222753886 IUYLOIKNMKWLMW-IBGZPJMESA-N 369.513 2.898 0 50 FFAA c1ccc(Cc2noc(CCN[C@@H]3CCOC4(CCOCC4)C3)n2)cc1 82091557 GVRJDDSOQWCDSG-QGZVFWFLSA-N 357.454 2.521 0 50 FFAA COc1ccc(C2(C(=O)NCc3nc(C)cc(O)n3)CCCC2)cc1OC 426423243 AREZVXLZPRRLKF-UHFFFAOYSA-N 371.437 2.636 0 50 FFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1Br 226627851 OJFMPPWHVHSAHE-DLTLXFJOSA-N 362.223 2.981 0 50 FFAA Cc1nc(N(C)C)nc(-c2ccc(C(=O)NCCN3CCCC3)cc2)c1C 426507863 LGGOTZNLBLYZLT-UHFFFAOYSA-N 367.497 2.652 0 50 FFAA COC(=O)c1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1 426666935 DJFDKNINJYETOR-QGZVFWFLSA-N 368.433 2.705 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3ccc4nc[nH]c4c3)c2)C1 426698462 QHMKHJZAZBJQOC-SFHVURJKSA-N 362.433 2.971 0 50 FFAA O=C(c1ccc2nccnc2c1)N1CCC2(CC1)Nc1ccccc1NC2=O 91526165 BWRILGXENUIXAQ-UHFFFAOYSA-N 373.416 2.669 0 50 FFAA COc1ccc(-n2nc(-c3ccco3)nc2[C@H](C)N2CCN(C)CC2)cc1 96132810 DTYWWIKKRDLEIF-HNNXBMFYSA-N 367.453 2.844 0 50 FFAA O=C1CCC2(CCN(C[C@H]3CCCCO3)CC2)CN1Cc1ccccn1 91468870 XHFRZPSRIVZSPM-LJQANCHMSA-N 357.498 2.855 0 50 FFAA CCn1ccnc1[C@H]1CCCN(c2cc(C(=O)N3CCCC3)ccn2)C1 91434637 QXDIMASAMNQZPA-KRWDZBQOSA-N 353.470 2.918 0 50 FFAA CCc1nc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)no1 91562831 PIGGUEUKPPBGPF-FQEVSTJZSA-N 371.437 2.775 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc(Cl)cc1F)CC2 426370632 SPEGYWTVZNRBPT-QANKJYHBSA-N 371.836 2.640 0 50 FFAA CNc1ccnc(N2CC[C@]3(CCCN(Cc4cccc(F)c4F)C3)C2)n1 426432088 WVMXEGDYYRLWPK-FQEVSTJZSA-N 373.451 3.289 0 50 FFAA O=C(c1ccccc1-n1cnnc1)N(Cc1cccnc1)Cc1cccnc1 97638094 UAYNVFRCVKBSOA-UHFFFAOYSA-N 370.416 2.900 0 50 FFAA CCCc1cc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)nc(C)n1 92002243 HTGNBQWNXYVRMH-UHFFFAOYSA-N 374.529 2.983 0 50 FFAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1 96163190 HNWCPDGTRLCBCD-LJQANCHMSA-N 357.498 2.640 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H]3COc4ccccc4C3)CC2)ccn1 91944008 RJRQVCIYDNRUEK-GOSISDBHSA-N 351.450 2.680 0 50 FFAA COc1cc2c(cc1NC(=O)N(C)[C@H](C)c1cccnc1)n(C)c(=O)n2C 96162346 GALPTJOIBCHGAC-GFCCVEGCSA-N 369.425 2.506 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 95502671 KMYPENPUDLNTMH-KRWDZBQOSA-N 368.481 2.823 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)NC1CCN(C(=O)C2CCCC2)CC1 244719140 LXVNQKBQIYMKDI-UHFFFAOYSA-N 364.873 2.886 0 50 FFAA COCCc1noc([C@H]2CCCN(C(=O)CC3Cc4ccccc4C3)C2)n1 244796004 RRCBOWXGOMBNOV-SFHVURJKSA-N 369.465 2.770 0 50 FFAA O=C(NCCCNc1cccnc1)N1CCO[C@@H](c2ccc(F)cc2)C1 534645413 VVHCMEDETQPGEK-GOSISDBHSA-N 358.417 2.806 0 50 FFAA CN1C[C@]2(CCN(C(=O)Nc3ccccc3Oc3cccnc3)C2)OC1=O 299765257 DIFQCHOKXDBDNR-IBGZPJMESA-N 368.393 2.932 0 50 FFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)[C@H](N)Cc1ccccc1 55119928 GTICNTYEXVJSPF-GOSISDBHSA-N 352.413 2.744 0 50 FFAA NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2cccc3c2CCC3)CC1 299776251 MMYMZSYTQGBGQG-UHFFFAOYSA-N 370.497 2.513 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(CN2CCCC2)o1 828166460 KWPKSZQTBFKCMK-UHFFFAOYSA-N 368.481 2.665 0 50 FFAA Cc1cc2cc(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)oc2cc1C 952887565 ADTQXLQCGDVUIR-RHSMWYFYSA-N 354.410 2.812 0 50 FFAA COc1ncccc1Cc1noc([C@H](C)n2ccc(C(F)(F)F)n2)n1 1875269511 MNIQPENMNBXIGC-VIFPVBQESA-N 353.304 2.889 0 50 FFAA Cn1ccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2cncn2)cc1 1875302474 RWIVQSQGQATIEH-VBUUOAMHSA-N 362.437 2.552 0 50 FFAA O=C1O[C@H]2CCN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C[C@H]2O1 1875319971 AOJQTDWTKKQJTN-NWDGAFQWSA-N 356.300 2.728 0 50 FFAA CCn1nc2c(c1C(=O)N1CCC3(CCN(C)CC3)CC1)C[C@H](C)O[C@@H]2C 1875314178 LERQVEMHVKRVFC-JKSUJKDBSA-N 374.529 2.873 0 50 FFAA O=C(C[C@H]1CCC2(CCC2)CO1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccon1 1875406277 ATSVDIXDVNLJBE-FGTMMUONSA-N 359.470 2.589 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1CCC(=O)NC 952965816 AOZHBHKZTZILPM-FQEVSTJZSA-N 365.477 2.751 0 50 FFAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)c2ccc(C)c(Cl)c2F)n1 886094726 CFAKNSBVADDRKL-HZMBPMFUSA-N 353.781 2.987 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(OC(C)C)nc2)C1 888103397 XSVPLASBDCUIKK-CVEARBPZSA-N 358.442 2.811 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2ncsc2c1 1565507735 OKPUVLJXEZNTOR-IRXDYDNUSA-N 369.446 2.795 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c(C)c1 1565514810 YNWNBQPKRAXBCL-IRXDYDNUSA-N 362.451 2.564 0 50 FFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1coc2c1C(=O)CCC2 408485851 QLCFBKBIPSPPBE-UHFFFAOYSA-N 373.430 2.796 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)cs1 277751440 PQOGOAUYCPPAIU-UHFFFAOYSA-N 373.478 2.559 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3nnc(C4CC4)o3)cc2F)n1 186908011 RHAPDNSASWJGFJ-UHFFFAOYSA-N 355.373 2.819 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280030103 NSWCSLSKWNDRQG-SMDDNHRTSA-N 352.312 2.754 0 50 FFAA O=C(CCc1ccc(C(=O)O)cc1)Nc1ncn(Cc2ccccc2)n1 739260705 VPJRYPVVSGXDAK-UHFFFAOYSA-N 350.378 2.596 0 50 FFAA COc1ccccc1[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)OC(C)C 190335339 ZYNRJKUCQLRADI-KRWDZBQOSA-N 360.458 2.938 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CC[C@]2(C1)OCc1ccccc12 195457673 WLNRLEWDIIRYIP-LJQANCHMSA-N 359.447 2.824 0 50 FFAA CCCCN(Cc1cccc(Cl)c1)C(=O)Cc1cnc(O)n(C)c1=O 1506420411 DGMMSKXJVWWPTK-UHFFFAOYSA-N 363.845 2.511 0 50 FFAA Cc1cn2c(=O)cc(CN3CC(Oc4c(C)cccc4C)C3)nc2s1 1529190742 NSEAHQJYIIEUCR-UHFFFAOYSA-N 355.463 2.944 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)c1cc(C(=O)N2CCOCC2)ccn1 1529158870 OQCLVXBUYXHQCS-UHFFFAOYSA-N 368.412 2.811 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1cccc(F)c1F)C2 213091636 KAYCLBOLUIWCHP-CVEARBPZSA-N 362.420 2.923 0 50 FFAA CCOCC1(COCC)CCC(c2[nH]ncc2CN(C)CCNC)CC1 222758114 SPEGERVLTUWZPA-UHFFFAOYSA-N 366.550 2.778 0 50 FFAA Cc1ccccc1-c1ccc(CN2CC[C@H](N3CCOCC3)[C@@H](O)C2)cc1 1615636978 YZCNVUAYRKHHNC-GOTSBHOMSA-N 366.505 2.929 0 50 FFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc(OCCCn2ccnc2)c1 1772819391 SXGIHFZVFBFEIK-HKUYNNGSSA-N 368.481 2.547 0 50 FFAA N[C@H](Cc1ccccc1)c1nnc(N2CCC(CCn3cccn3)CC2)o1 1772705264 MFCKXSRIJQKSBX-GOSISDBHSA-N 366.469 2.815 0 50 FFAA COc1cccc(N2C(=O)CN(C(=O)Cc3ccccc3OC)C[C@H]2C)c1 12281608 RJMLFIWXOJENLN-OAHLLOKOSA-N 368.433 2.510 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H](C)n1cncn1 12308275 HZTXNLXSLWZPFP-OAHLLOKOSA-N 351.410 2.960 0 50 FFAA COCCNC(=O)c1cccc(OC2CCN([C@H](C)CSC)CC2)c1 12431523 ZQFZXCZAYZQODA-OAHLLOKOSA-N 366.527 2.658 0 50 FFAA Cc1ncc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)s1 12474684 JZAPNPFJVHBUFU-MRXNPFEDSA-N 351.516 2.739 0 50 FFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccs3)CC2)n1 17012635 XMRAPEJZXUAYML-UHFFFAOYSA-N 371.510 2.799 0 50 FFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCn2nccc2C1 1857698395 OZYLSNQTOFWUKR-HNNXBMFYSA-N 352.463 2.809 0 50 FFAA CCOc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1C(=O)O 421182235 KNGMGGKICZEDNE-UHFFFAOYSA-N 367.427 2.670 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)cc2)c1 1875244118 NGPAKRIZRJKGGO-UZLBHIALSA-N 366.461 2.765 0 50 FFAA Cc1cc(C)n2[nH]c(=NC(=O)c3cccc(-n4nc(C)cc4C)c3)cc2n1 1875246614 CSCNNARAUADPHZ-UHFFFAOYSA-N 360.421 2.823 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2CN)cc1OC 236986107 NPKNRFRMTGMMNF-GFCCVEGCSA-N 371.275 2.810 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCOCC1 238068750 XEUOFGUYUYJKCA-UONOGXRCSA-N 353.365 2.551 0 50 FFAA CC[C@@H](OC1CCCCC1)C(=O)N1CCN(c2cc(OC)ccn2)CC1 153616161 UBXRJTLMIJUYMN-GOSISDBHSA-N 361.486 2.867 0 50 FFAA NC(=O)Cc1occc1C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 376103084 OIKGXIDWNMZAPO-LLVKDONJSA-N 369.204 2.868 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccn(C(C)C)n2)C(=O)O)cc1Cl 263044407 NNGPPGXFERSIKL-AWEZNQCLSA-N 351.790 2.682 0 50 FFAA O=C(CCC(=O)N1CCO[C@]2(CCc3ccccc32)C1)NC1CCCC1 161634538 YICUGDOEEPCNEC-OAQYLSRUSA-N 356.466 2.526 0 50 FFAA O=C(O)C[C@@H](O)c1ccccc1-c1ccc2c(c1)CC[C@@]1(COC(=O)N1)C2 901000528 QSELHZNHIGSVQE-NQIIRXRSSA-N 367.401 2.829 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Nc3ccc(C(=O)O)cc3)C1)CC2 1704324733 FAVFHKYUIUXOLI-FQEVSTJZSA-N 366.421 2.995 0 50 FFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 4482390 KCIINFACNAWPHJ-QQOXCAACSA-N 360.410 2.841 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCS(=O)(=O)[C@H](C)C3)cc2)c1C 2325780624 BRNYMBFMAHBRCZ-DOMZBBRYSA-N 361.467 2.641 0 50 FFAA Brc1cc(N2CCO[C@H](COc3ccccc3)C2)ncn1 2325802342 AZENNZDSSBUCJD-ZDUSSCGKSA-N 350.216 2.523 0 50 FFAA Cc1cnccc1C(=O)NC[C@H](C)CNC(=O)c1ccc2cccnc2c1 2325870658 JMRGSQUKUQRTEL-CQSZACIVSA-N 362.433 2.734 0 50 FFAA O=C1CCCc2cc(C(=O)NCc3cccc(N4CCC4=O)c3)ccc2N1 2325884146 PGVOUWZDNTWONT-UHFFFAOYSA-N 363.417 2.628 0 50 FFAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1O 634905 FUANRXUQFRIYGT-HNNXBMFYSA-N 350.440 2.535 0 50 FFAA COc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1OC 771868 ZKLBZOHWBKUYBF-NVXWUHKLSA-N 352.390 2.873 0 50 FFAA biogenic O=C1CCC[C@H]2[C@@H]3C[C@@H](CN(c4nncs4)C3)[C@H](Cc3ccccc3)N12 2356142403 QMTYFNIUSLLQCU-OWSLCNJRSA-N 368.506 2.987 0 50 FFAA Cc1nc(C)c(C(=O)NCCNc2ccc(Nc3ccncc3)nn2)s1 67603761 CDUJHKRIBAKURA-UHFFFAOYSA-N 369.454 2.530 0 50 FFAA Cc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)c1 100308875 PENMHUWVYYPVJV-LJQANCHMSA-N 367.424 2.588 0 50 FFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)Cn1c(=O)oc2ccccc21 67722906 KCIGCXVBCYORQU-UHFFFAOYSA-N 370.796 2.783 0 50 FFAA CC(=O)N[C@@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)C(C)C 67541024 DJVSCQSGPQDHDI-LJQANCHMSA-N 368.481 2.943 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)C[C@@H]3CCCO3)nc2)n1 20271677 DANQCIQMBZACPI-HNNXBMFYSA-N 360.483 2.646 0 50 FFAA O=C(c1ccnnc1)N1CCC(Cn2cc(C3CCCCC3)nn2)CC1 23311756 DCOMZEXBMJXRQR-UHFFFAOYSA-N 354.458 2.668 0 50 FFAA O=C(c1ccc(-n2cncn2)nc1)N1CC[C@H](Cc2ccc(F)cc2)C1 119521026 NFPAZFBMMZHVNI-OAHLLOKOSA-N 351.385 2.506 0 50 FFAA COc1ccc(CN2CCN(C(=O)N(C)C)CC2)c2c(OC)cccc12 215438369 ONYWZFLJPHFZRV-UHFFFAOYSA-N 357.454 2.656 0 50 FFAA Cc1cc(C(=O)NCc2cccnn2)nn1-c1ccc(Br)cc1 436231028 XRMQMVMGGNRNPJ-UHFFFAOYSA-N 372.226 2.663 0 50 FFAA CN1C(=O)C[C@@H](CNCc2ccc(F)cc2Cl)[C@@H]1c1cnn(C)c1 328628768 OBVSQLZFOZYWGW-YVEFUNNKSA-N 350.825 2.522 0 50 FFAA O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCC[C@@](F)(CO)C1 253420002 HLSCSLGEXYNMBG-SFHVURJKSA-N 368.355 2.875 0 50 FFAA O=C(Nc1ccccc1)N1CCCn2nc(CN3CCCOCC3)cc2C1 72150972 FBZSDWFIRYKNCO-UHFFFAOYSA-N 369.469 2.543 0 50 FFAA Cc1ccc(-c2nccn2-c2cccc(OCC(=O)N3CCOCC3)c2)o1 72447928 RSSGXTWIXZZVLC-UHFFFAOYSA-N 367.405 2.678 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 152126382 JVFFUPGFEIUQQG-QGZVFWFLSA-N 355.369 2.688 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)cccc2c1C 219267079 AOYGFSVEOKGSHX-JOQOYGCGSA-N 352.438 2.760 0 50 FFAA c1ccc2[nH]c(C[C@H]3CCCN(Cc4cc5n(n4)CCCNC5)C3)nc2c1 72164947 HLGNKQIUQCYZHF-MRXNPFEDSA-N 364.497 2.707 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2ccccc2Cn2cccn2)C1 77458433 FYFXDLNMXQJJMH-IBGZPJMESA-N 363.465 2.760 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 72454565 CAZOGPBQUDBVAH-AWEZNQCLSA-N 355.438 2.838 0 50 FFAA COc1ncncc1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 333906081 UZESYLOWEWWCNB-LBPRGKRZSA-N 374.363 2.698 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccc(Cl)cc2)cc(-n2cccn2)n1 72437674 MLWZEABVWGXCRL-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 378390910 VXKUQYJFMPSGGD-PMACEKPBSA-N 356.441 2.982 0 50 FFAA CC(C)Cn1ccnc1CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1 376704761 BXABLBUAVNYAMA-OAHLLOKOSA-N 362.396 2.528 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3ccc(O)c(Cl)c3)C2)CCC1=O 82160778 JAWBSHQLGNCJKC-SFHVURJKSA-N 350.846 2.910 0 50 FFAA NC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCc1ccccc1-2 17073948 CDOHMAPAOATVGY-UHFFFAOYSA-N 358.419 2.806 0 50 FFAA CC(C)C[C@H](O)C1CCN(C(=O)c2cn3cc(Cl)cnc3n2)CC1 82147698 MCXYLNLPWQPIBP-HNNXBMFYSA-N 350.850 2.642 0 50 FFAA CC(C)n1ncc2cc(C(=O)N3CC=C(c4ccnn4C)CC3)cnc21 288983369 GPGSNLZYJYZMRR-UHFFFAOYSA-N 350.426 2.675 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCC[C@H](C(=O)O)C1 263970650 PZDYYVKDECBORB-YBJDMEARSA-N 353.850 2.837 0 50 FFAA COCCc1noc([C@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 220115254 SRJYHTBDRPHDHH-HNNXBMFYSA-N 364.490 2.625 0 50 FFAA Cc1cc(OC(F)F)ccc1NC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 426379698 LFTSYSYFBJPZLS-HOTGVXAUSA-N 369.412 2.971 0 50 FFAA Cc1cc(-c2cccc(C(=O)NC3(C(N)=O)CCCCCC3)c2)cnc1N 426474049 ABKOQOUUEMYDLG-UHFFFAOYSA-N 366.465 2.947 0 50 FFAA CCN(Cc1nnc(-c2ccccc2)o1)CN1C(=O)C(=O)c2ccccc21 20045194 HHIXPVPYBWQPCV-UHFFFAOYSA-N 362.389 2.746 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)CC2=CSC3=NCCCN23)C1 222593054 RIBCDZRQWBWYMI-CQSZACIVSA-N 370.478 2.543 0 50 FFAA Cc1ccc(Cl)c([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95389405 KCCWTQAMRCAPHU-GOSISDBHSA-N 359.857 2.987 0 50 FFAA CCc1ccccc1OC1CN(C(=O)[C@@H]2CCN(c3ccccc3)C2=O)C1 95515264 FWKHAAMVASXTOA-IBGZPJMESA-N 364.445 2.892 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 95360063 ISEBYHKMGXSZDN-QGZVFWFLSA-N 370.501 2.736 0 50 FFAA O=C(CCOc1ccccc1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 92078654 DEBSJTAJIZQWCW-UHFFFAOYSA-N 356.466 2.849 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C(=O)C[C@@H]3C=CCC3)CC2)CC1=O 91595766 LRKXCMLWUAVBCM-QGZVFWFLSA-N 371.481 2.989 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCOc2ccccc21 238029909 MAAPOKSEWXCILR-MAUKXSAKSA-N 351.402 2.981 0 50 FFAA Cn1nc(-c2cc(OC(F)(F)F)ccc2Cl)nc1N1CCOCC1 96152431 BDMUKNYYEGAYEH-UHFFFAOYSA-N 362.739 2.871 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCCN(C(=O)[C@H]4CCCO4)CC3)c(C)c2c1 91846374 JWYVTZCYQNWPRL-GOSISDBHSA-N 369.465 2.638 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)CN2CCCCCC2)C3)c1 96131403 YKODROICEPJMLU-UHFFFAOYSA-N 368.481 2.846 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cn1 95510533 HRHUIAHOXXUDTA-OAHLLOKOSA-N 354.458 2.535 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)[C@H](c1cccnc1)N1CCCC1 95358501 VXQWTFMPUSQVEK-IBGZPJMESA-N 363.421 2.585 0 50 FFAA OCCOc1cccc(CN2CCn3nc(Cc4ccccc4)cc3C2)c1 96138678 ZJUQBTRZWADSCM-UHFFFAOYSA-N 363.461 2.861 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCCc3ccc(C)cc32)cc1-n1cnnn1 181291114 IEPKPQWPDJZPFE-KRWDZBQOSA-N 363.421 2.787 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)c1cc(C(=O)NC2CC2)ccn1 96141131 OHOMEMMPOKSMKR-INIZCTEOSA-N 350.466 2.937 0 50 FFAA CC(=O)N1CC[C@]2(O)CCN(Cc3ccc(C(F)(F)F)c(F)c3)C[C@@H]2C1 95392711 KBNYZPHMJVFFCY-RHSMWYFYSA-N 374.378 2.650 0 50 FFAA Cc1cc2nc(C(=O)NC[C@@H](c3ccccc3C)N(C)C)cc(C)n2n1 97463670 QJLGGEJBDWLFKU-SFHVURJKSA-N 351.454 2.687 0 50 FFAA COCCC[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 95385880 UVGNOULPAXFGMH-IBGZPJMESA-N 373.541 2.713 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 245380471 ZPZXBSYRQXXUMN-IPELMVKDSA-N 369.465 2.932 0 50 FFAA COc1ccc(OC)c(NC(=O)CCN(C)Cc2ccc3nonc3c2)c1 244673552 HRKOHZMOBMVRCY-UHFFFAOYSA-N 370.409 2.701 0 50 FFAA COCc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccccc3SC)C2)n1 253534918 VPLHTOHXDUAJBM-HAQNSBGRSA-N 359.451 2.727 0 50 FFAA CSc1ccccc1C(=O)[C@H]1CCCN(CC(=O)Nc2ccn(C)n2)C1 252501714 UIHCXGAHTLAKSQ-AWEZNQCLSA-N 372.494 2.675 0 50 FFAA C[C@@H]1Sc2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cc2NC1=O 299745778 SHLCCVGUYOEJAC-JLUCKKNBSA-N 374.462 2.977 0 50 FFAA Cc1oc(CN(C)C(=O)C2(c3ccccc3)CCOCC2)cc1C(=O)O 299747768 DZKNLKKMUGZAHR-UHFFFAOYSA-N 357.406 2.993 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3ccncc3Cl)CC2)cs1 266753203 YBRNOITWICWSAT-UHFFFAOYSA-N 350.875 2.848 0 50 FFAA CC(C)c1cc(CN(C)C(=O)NC2CCN(C(=O)c3ccco3)CC2)no1 534635633 IYVAWTOFLSYMRT-UHFFFAOYSA-N 374.441 2.837 0 50 FFAA CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 185365445 IPVJXBODPLBMIG-WOJBJXKFSA-N 361.530 2.599 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)[C@@H]1CCCN(Cc2ccco2)C1 1940197040 NVYORRFASVFSRZ-OAHLLOKOSA-N 365.437 2.926 0 50 FFAA Cc1nc2ccccn2c1CN(C)C(=O)[C@H](C)Oc1ccc2c(c1)OCO2 299777573 KGOFGXOTCATRAC-AWEZNQCLSA-N 367.405 2.797 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(-c3ccccc3)n1C)CC2 299796048 NUJFUGDBYXEJRS-LKUPVBHCSA-N 354.450 2.837 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1scc2c1OCCO2 299792264 FDQPUIMPYVWTSU-LBPRGKRZSA-N 362.426 2.915 0 50 FFAA CC[C@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC 299775924 LWUMKSVSPCKGKN-HNNXBMFYSA-N 371.420 2.955 0 50 FFAA O=C(NCCCn1ccnn1)Nc1ccc(C(=O)OC2CCCC2)cc1 299761834 AOXXUORNACEXFM-UHFFFAOYSA-N 357.414 2.589 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc(-c2cc(F)ccc2OC)c1 299776940 GBFVZUQGOSHDAO-ICSRJNTNSA-N 372.440 2.950 0 50 FFAA CCc1ccc(CN2C[C@H](C(=O)NCc3csc(C)n3)CC2=O)cc1 670451391 NLKFDDLVLXXNQQ-MRXNPFEDSA-N 357.479 2.679 0 50 FFAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)O1 864136713 ZAHHUYGAVRTHEY-MSOLQXFVSA-N 353.374 2.859 0 50 FFAA O=C(NCC[C@H]1CCCS1(=O)=O)Nc1nc2c(F)cccc2s1 1875277672 XVLGGQQSPRGCOK-SECBINFHSA-N 357.432 2.524 0 50 FFAA COc1cccc([C@H](C)C(=O)N[C@@]2(C)CCN(C(=O)[C@H]3CC34CC4)C2)c1 1875407367 XVLMPSYARPJZFF-NQYLQCIDSA-N 356.466 2.706 0 50 FFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cnn(-c2ccccn2)c1C 952989514 XHWSVHOKKQQBFR-UHFFFAOYSA-N 354.414 2.744 0 50 FFAA Cc1oc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)cc1C(=O)O 268936707 PAHVUDBJABICDV-UHFFFAOYSA-N 351.742 2.941 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 952975727 LRTBMDYCKNOEIS-GFCCVEGCSA-N 352.866 2.738 0 50 FFAA CCN1CCO[C@@H](CN[C@H]2CCc3ccc(C)cc32)[C@@H]1c1nccn1C 886085261 IRHPGUUBPXGLFB-SLFFLAALSA-N 354.498 2.767 0 50 FFAA Cc1c(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)cnn1C1CCCC1 1336475668 ROKUEYKRUHMYLS-GOSISDBHSA-N 352.438 2.532 0 50 FFAA CCCCOc1ccc(C(=O)N2CC[C@H](OCCOC)C2)cc1OC 170602383 DFGIATSALZZQIB-INIZCTEOSA-N 351.443 2.752 0 50 FFAA Cc1n[nH]c2ncc(NC(=O)c3ccnc(OCC(F)(F)F)c3)cc12 170651642 OEVCAHAVFUOSAH-UHFFFAOYSA-N 351.288 2.855 0 50 FFAA CC(C)(C)OC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN1C(N)=O 170609473 AOCNKFZUMIKCCU-LBPRGKRZSA-N 363.414 2.734 0 50 FFAA Cc1ccc2oc(C(=O)NCc3ccccc3N3CCOCC3)cc2n1 171461139 WBQGSFYBBFQXLI-UHFFFAOYSA-N 351.406 2.903 0 50 FFAA O=C(c1ccc(NC[C@H]2CCN(C3CCCCC3)C2)nc1)N1CCOCC1 1704345003 ZEZRTLBIAMTFCI-QGZVFWFLSA-N 372.513 2.621 0 50 FFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)CCOc1ccccc1)C2 1704337897 HLYJNHNTXNKQKT-MSOLQXFVSA-N 353.484 2.676 0 50 FFAA CCc1cc(CN2CCCN(C(=O)c3cnc4ccccc4n3)CC2)on1 1800411420 JRALUCBCNQYAKB-UHFFFAOYSA-N 365.437 2.528 0 50 FFAA C[C@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)C(F)(F)F 1704336629 ZTGYQYIEUXNKOD-NSHDSACASA-N 369.343 2.859 0 50 FFAA O=C(c1cncc(NCCc2nc3c(s2)CCCC3)n1)N1CCCC1 1704338453 AXEPIFLPSWFIIY-UHFFFAOYSA-N 357.483 2.703 0 50 FFAA Cn1nc(CNC(=O)c2cc(O)cc(C(=O)O)c2)c2c(Cl)cccc21 1772710268 PKWMCVCYLBAHPZ-UHFFFAOYSA-N 359.769 2.561 0 50 FFAA O=C(c1ccccc1OC1CCN(Cc2ccccn2)CC1)N1CCCO1 11665646 GHHRNRIVGUYMQR-UHFFFAOYSA-N 367.449 2.903 0 50 FFAA c1ccc(-c2noc(CN3CCCC[C@H]3CCN3CCOCC3)n2)cc1 11844149 RWCSKAMIARBOJR-SFHVURJKSA-N 356.470 2.813 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3ccc4nccnc4c3)CCO2)cc1 12094096 PICTXJGNAINECA-SFHVURJKSA-N 363.417 2.722 0 50 FFAA Cn1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)ccc1=O 12315378 KZMSAWCCLPODND-ZDUSSCGKSA-N 361.392 2.544 0 50 FFAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)C(C)C)C2 14536144 VLVFQOCMGFCBOG-UHFFFAOYSA-N 360.502 2.752 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccsc1)C2 14747072 GIEPXQJVDLPDOK-OAHLLOKOSA-N 358.511 2.848 0 50 FFAA COc1ccc(N2C(=O)CN(C(=O)Cc3csc(C)n3)CC2(C)C)cc1 14879539 BAHNIHZKKZDATB-UHFFFAOYSA-N 373.478 2.657 0 50 FFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)C2=CCCC2)C1 15073274 JEJHCLMKGYADRY-MRXNPFEDSA-N 372.465 2.539 0 50 FFAA COCCCNc1nc2nonc2nc1N1CCCC[C@@H]1c1cccnc1 15076780 YVACKMMRBQLXST-CQSZACIVSA-N 369.429 2.588 0 50 FFAA COC(=O)c1cc2ccc(Cl)nc2n1S(=O)(=O)c1ccccc1 169811139 HTNZGYLGXSAKJU-UHFFFAOYSA-N 350.783 2.713 0 50 FFAA C[C@]1(NC(=O)c2nc3cccnc3s2)CCN(c2ncncc2Cl)C1 1857531003 RFJCWJVAGCKZTO-INIZCTEOSA-N 374.857 2.534 0 50 FFAA CC/C(C)=C/CCN1C[C@@H]2[C@H](CNC(=O)c3cnc(C)[nH]3)[C@H]3CC[C@]2(C1)O3 1857714026 IQKABAGSPBDZFJ-RHJWDGDUSA-N 372.513 2.674 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cc2c(Cl)cccc2[nH]1 1857735982 KKYUUHJVRODYTP-LXIYXOSZSA-N 359.857 2.803 0 50 FFAA O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)c1ccccc1 667078 KJSCULNSQVJBQX-HXUWFJFHSA-N 359.429 2.739 0 50 FFAA O=C(N[C@@H]1COc2cc(F)c(Br)cc21)C1(O)CCCCC1 332335580 REGJRATXTSENSC-GFCCVEGCSA-N 358.207 2.833 0 50 FFAA NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 238037356 ZDGBMKMMYHJHJD-UHFFFAOYSA-N 356.797 2.718 0 50 FFAA Cn1nccc1C(=O)N1CCC([C@H]2CCN(CCc3ccccc3)C2)CC1 12705744 TUUXZIAWMJIRMX-FQEVSTJZSA-N 366.509 2.837 0 50 FFAA Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(CN2CCCC2=O)c1 131454142 NXTDXVMTCKLNCF-CYBMUJFWSA-N 355.438 2.834 0 50 FFAA Cn1cc(-c2csc(CNc3cccc(CN4CCOCC4)c3)n2)cn1 252527726 DFABKEUTNPOIIR-UHFFFAOYSA-N 369.494 2.988 0 50 FFAA O=C(c1ccc2nccn2c1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 367347003 RRAHTPWVTVCZIE-LJQANCHMSA-N 355.825 2.807 0 50 FFAA Cc1nc2cc(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)ccc2s1 1704325127 FLGVHPSGAOSMSH-IEBWSBKVSA-N 359.495 2.524 0 50 FFAA COc1cc(OC)cc([C@@H](O)CNc2nc(N(C)C)c3ccccc3n2)c1 827649286 KYSFBTVDPPGFHE-SFHVURJKSA-N 368.437 2.859 0 50 FFAA COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccccc2C)CC1 1429992 IYVGAXPYXPTGPW-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3oc2=O)C[C@@H](C)O1 12417931 HORCGJMRBJYTLF-AOOOYVTPSA-N 366.211 2.805 0 50 FFAA CN1CCc2c(cccc2S(=O)(=O)N(C)c2ccc3[nH]ccc3c2)C1 2325783937 MTKTZGNAPFZAKR-UHFFFAOYSA-N 355.463 2.981 0 50 FFAA Cn1ncc(C(=O)NCc2cccc3nc(O)oc23)c1Cc1ccccc1 2325825037 ATDURMATLGLQJA-UHFFFAOYSA-N 362.389 2.788 0 50 FFAA Cc1ccc([C@H](C)[C@H](O)C(=O)NC[C@H](C(=O)O)c2cccc(C)c2)cc1 2325851818 KRPHKIDTLCBTFY-SNRMKQJTSA-N 355.434 2.752 0 50 FFAA CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCCCC[C@@H]1C(=O)OC 640765 FMVVKMLLCZQTBI-KUHUBIRLSA-N 370.442 2.592 0 50 FFAA COc1ccc(CN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 4679478 KUMRUOZHUOQVAJ-HNNXBMFYSA-N 374.824 2.779 0 50 FFAA CC(C)(C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCNC1 225534328 RFEFKRHZZBFSAT-CABCVRRESA-N 358.404 2.881 0 50 FFAA CC[C@@H](C)N1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 11664923 OCVRIGWQICCTKY-QGZVFWFLSA-N 358.530 2.673 0 50 FFAA CCN(Cc1cccc(C(=O)Nc2cc(C)nn2C)c1)C[C@H]1CCCO1 67743679 QITXFANAWATTEX-GOSISDBHSA-N 356.470 2.982 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCN3CCC[C@@H](CO)C3)n2n1 72418546 JLURPILCOHDFSC-QGZVFWFLSA-N 365.481 2.821 0 50 FFAA CN(CC(=O)Nc1nccs1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 249728101 RJWIXJAQODHXFU-TZMCWYRMSA-N 372.277 2.979 0 50 FFAA O=C(CCc1cc(O)no1)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 67879707 LWPRDRXGPALDBU-MRXNPFEDSA-N 364.405 2.786 0 50 FFAA CC1(C)CCCN1Cc1cn(C2CCN(C(=O)c3ccoc3)CC2)nn1 23339430 LXGKMPYUHPHBEX-UHFFFAOYSA-N 357.458 2.723 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)N(C)CCN(C)C)co3)ccc2s1 67605239 RUFONNIJYIXUOX-UHFFFAOYSA-N 374.466 2.805 0 50 FFAA CC(C)[C@H](C)N(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 252499882 SIASJIXKCGZTMH-INIZCTEOSA-N 367.534 2.965 0 50 FFAA CCCC1(NC[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 67713217 MVVQBEQDMQFGCZ-FQEVSTJZSA-N 364.461 2.610 0 50 FFAA CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(Br)cc1 252527795 DJJSWRXPOBMRJY-UTUOFQBUSA-N 371.275 2.953 0 50 FFAA CCn1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cn1 2804684 VXUCEYRQYGVALK-UHFFFAOYSA-N 365.846 2.602 0 50 FFAA COc1cc(Cl)c(CN2CCC[C@](O)(CO)CC2)c(Cl)c1OC 216129214 KGXIICNJESWNRV-MRXNPFEDSA-N 364.269 2.720 0 50 FFAA Oc1ccccc1N1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 6402733 RPPQXNQCEXYQAL-UHFFFAOYSA-N 357.435 2.640 0 50 FFAA CN(Cc1nc2c(s1)CCC2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328625144 CUEHLBIXFNUTSQ-IFXJQAMLSA-N 359.543 2.880 0 50 FFAA Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3cscn3)c12 153545225 WQVAPDRRZUIXHH-LBPRGKRZSA-N 357.439 2.936 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3ccc4ccccc4n3)CC2)c1 72476159 ZWWGONCETXEUQC-UHFFFAOYSA-N 350.422 2.816 0 50 FFAA COCCc1noc([C@H]2CCCN(Cc3c(C)nc4ccccn34)C2)n1 72144753 FWPIRQGFCJWGIX-HNNXBMFYSA-N 355.442 2.594 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2ccccc2OCCc2ccccc2)C[C@H]1O 72476774 MZCSOHWBNJLNOF-IFMALSPDSA-N 369.461 2.656 0 50 FFAA Cc1ccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)nn1 72411760 CBDCBTSVEKUBSQ-DOTOQJQBSA-N 356.495 2.907 0 50 FFAA CC(C)[C@](C)(CO)NC(=O)NCC1CCN(Cc2cccs2)CC1 378045760 BVAXAMGXEHBRON-SFHVURJKSA-N 353.532 2.666 0 50 FFAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 242324497 ZBTNPELTTGCKNZ-GJZGRUSLSA-N 366.483 2.854 0 50 FFAA O=C(CCc1ccccc1)N[C@@H]1COCC[C@H]1Oc1ccc(C(=O)O)cc1 222470549 SQKMQLBQFNIUGI-RTBURBONSA-N 369.417 2.670 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 17076669 JYCDACRXIXWBRN-UHFFFAOYSA-N 374.509 2.626 0 50 FFAA Nc1nc(=NCc2ccc(C(F)(F)F)cc2F)cc([C@H]2CCOC2)[nH]1 426634057 UQZRRGZTTYAAAD-JTQLQIEISA-N 356.323 2.755 0 50 FFAA Cc1cn2cc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)ccc2n1 82099980 UOSRQAMKTZODMP-SFHVURJKSA-N 350.422 2.859 0 50 FFAA NCCOc1ccc(Cl)cc1C(=O)NCCN1CCCc2ccccc21 426477210 KVKKERDAVPUCSD-UHFFFAOYSA-N 373.884 2.860 0 50 FFAA Cc1nn(C)cc1-c1ccnc(NCc2noc(Cc3ccccc3)n2)n1 48284523 AYHXDMHSIRUJRN-UHFFFAOYSA-N 361.409 2.771 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 82107307 QFXUCKBLUSUEHD-OAHLLOKOSA-N 360.377 2.757 0 50 FFAA CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2O)C[C@H]1c1ccccc1 426369909 HTKJSYSHYQYDNM-KRWDZBQOSA-N 363.421 2.634 0 50 FFAA COc1ccc(C2(CNC(=O)N(C)C[C@@H]3COCCO3)CCCC2)cc1 426584551 BKXDAXTWZUHXMA-GOSISDBHSA-N 362.470 2.564 0 50 FFAA CC(=O)c1sccc1-c1ccc(C(=O)NC[C@@H]2COCCN(C)C2)cc1 426530613 VWVBLXYJYGPXQJ-HNNXBMFYSA-N 372.490 2.926 0 50 FFAA COCc1cc(N[C@@H](C)c2nc(-c3ccc(OC)c(OC)c3)no2)ncn1 95375834 KKUWMAOQICTAGC-NSHDSACASA-N 371.397 2.863 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237731574 IZDYYGJHULGZFJ-FUHWJXTLSA-N 372.465 2.589 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91650595 UQEHRNYCCAEAGR-UHFFFAOYSA-N 360.502 2.680 0 50 FFAA O=C(NCc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91665619 DHAOKNFRQOKTNT-FUHWJXTLSA-N 359.445 2.758 0 50 FFAA CCCCCc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)c(F)c1F 96139924 GKWJGAMTIZJMHG-UHFFFAOYSA-N 362.380 2.638 0 50 FFAA CN1C[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)NC1=O 91320774 VLFOWDKDYOGEMG-IBGZPJMESA-N 363.461 2.619 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1cc3c(nc1OC)CCC3)CC2 91943253 DGWXMYSZKBDVNX-UHFFFAOYSA-N 368.433 2.795 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCc1noc(C3CCCC3)n1)C2 95356375 QPGHKHHBIUBCJZ-OAHLLOKOSA-N 371.437 2.646 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(CCc1ccccc1)C2)N1CCCC1 91663782 OEVFQIJBUINQPC-UHFFFAOYSA-N 366.509 2.887 0 50 FFAA Cn1c([C@@H]2CCCN2C(=O)CCc2csc(N)n2)nc2ccccc21 95391537 NEJQZUHNERZMEL-HNNXBMFYSA-N 355.467 2.908 0 50 FFAA CCc1nc(CN2C[C@@H]3c4ccc(OC)cc4OC[C@]3(C(=O)O)C2)cs1 95378451 IZCUARHIXDRHSU-DNVCBOLYSA-N 374.462 2.777 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)cc1 239338876 LJFLIQNRTYSBHL-PXQICXGYSA-N 370.836 2.722 0 50 FFAA Cc1ccc(SC2CCN(C(=O)c3ccc4nnnn4c3)CC2)cc1 97505315 WFOXTFDTMPHMCF-UHFFFAOYSA-N 353.451 2.830 0 50 FFAA Cc1cc(C(=O)N2CCN(C)C3(CCNCC3)C2)c(-c2ccccc2)o1 96148897 JIEXBOSMYMCKII-UHFFFAOYSA-N 353.466 2.765 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)s1 91656796 SMWUPUPHQZUULK-LSDHHAIUSA-N 355.463 2.828 0 50 FFAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 239212614 TUKBELXWMMGBRF-JUKMUDQWSA-N 358.394 2.775 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)c1ccc(N2CCCC2=O)cc1 96148830 XOHUCUAOXMFPAL-UHFFFAOYSA-N 350.378 2.622 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@H]1C(=O)O 91445148 JXABOTGGRTWNNP-UONOGXRCSA-N 373.430 2.768 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCC(=O)Nc1ccccc1 97425033 HZCVMHGORPCKQG-UHFFFAOYSA-N 374.750 2.851 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCCc2c(C)n[nH]c2C)c1 91974172 LKUZPZIKSWMBED-UHFFFAOYSA-N 353.426 2.788 0 50 FFAA Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)C(=O)[C@@H]1C)C(=O)CCC2 244866728 WBJLMKCXTCIHLR-ZDUSSCGKSA-N 366.417 2.985 0 50 FFAA NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 299738598 CQNJKBXKMZTADO-YDHLFZDLSA-N 370.419 2.560 0 50 FFAA Cc1ccc([C@@H](CCO)NC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 534661961 JSQPJDUAAXTFMO-MRXNPFEDSA-N 369.421 2.595 0 50 FFAA CCc1cc(-c2ccc(C(=O)N[C@H](C)c3ncnn3C)cc2)nc(C)n1 534649807 APVJOTOGULXUKX-GFCCVEGCSA-N 350.426 2.634 0 50 FFAA CN1CC[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](Cc2ccccc2)C1 72152187 GWJNGGJCQYICJJ-PKOBYXMFSA-N 352.482 2.512 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCSc2nnc(C)s2)n1 299800277 VMPZBMWSXZYBLZ-JTQLQIEISA-N 369.541 2.642 0 50 FFAA Cc1nn(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c(C)c1Cl 299799528 RVVRTWLFMBYLGS-INIZCTEOSA-N 362.861 2.756 0 50 FFAA CC[C@@H](NS(=O)(=O)c1ccsc1C(=O)O)c1nc(C)c(C)s1 822668922 YGTPZQIMAWJKOI-SECBINFHSA-N 360.482 2.949 0 50 FFAA Cc1nc2c([nH]1)CN(C(=O)NC[C@@H]1CCCN(C3CCCCC3)C1)CC2 584903351 FPVGNEOAPJZIHF-INIZCTEOSA-N 359.518 2.831 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1cncn1C1CC1 584884730 LJZKCCYBMLGXGM-CYBMUJFWSA-N 356.426 2.892 0 50 FFAA O=C(O)[C@@H]1CC12CC(C(=O)N1CCC[C@H](c3nc4ccccc4[nH]3)C1)C2 1875278091 YIRPFLUVOYPAFB-URXDEUHMSA-N 353.422 2.770 0 50 FFAA C=CC(=O)NC1CC2(CCCCN2C(=O)CCOc2cccc(F)c2)C1 1875383527 XRFUPUXMHPBOBP-UHFFFAOYSA-N 360.429 2.811 0 50 FFAA C=CC(=O)NCC[C@H]1CCCCN1C(=O)Cc1ccc2ncsc2c1 1875386414 PRZDDDMVCICQCT-OAHLLOKOSA-N 357.479 2.912 0 50 FFAA COCC(=O)N1CCC[C@H]2CN(c3cc(C)nc(C4CCC4)n3)CC[C@H]21 1875330439 XVMVVHNFULXURT-DLBZAZTESA-N 358.486 2.516 0 50 FFAA O=C(Cc1cccs1)NC[C@H]1CCCN(CCn2cc(Cl)cn2)C1 952868584 AZGDMQOOWWAHRE-CQSZACIVSA-N 366.918 2.669 0 50 FFAA C[C@H]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2nc(C3CCC3)no2)C1 1875407228 VMUNPOQWXVAYOA-QSPRXWTASA-N 358.486 2.949 0 50 FFAA O=C(NC[C@]1(CN=c2cnc(F)c[nH]2)CC12CCC2)[C@@H]1CCC[C@@H]2C[C@H]21 1875408424 WHKXETUXLKMRLW-RDNQGFKOSA-N 358.461 2.562 0 50 FFAA Cc1ccn2c(F)c(C(=O)Nc3ccc(NC(=O)CN(C)C)cc3)nc2c1 952966989 YIEKBGMLJWHORI-UHFFFAOYSA-N 369.400 2.534 0 50 FFAA O=C(O)CC[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1N1CCOCC1 1076099419 BUVLDFVPDVUEPG-AEFFLSMTSA-N 366.889 2.728 0 50 FFAA CCC[C@H]1CN(CCC(=O)NCc2cccc(Cl)c2)C[C@@H]1C(=O)O 1565513466 SFLCSPRUINBUPD-HOCLYGCPSA-N 352.862 2.779 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565526244 GQLJUQQRXLWMNO-WBVHZDCISA-N 355.413 2.663 0 50 FFAA COc1ccc(-n2nnc(C(=O)NCc3cc(F)ccc3F)c2C)cc1 171571841 BQHOZPJUOYMBGU-UHFFFAOYSA-N 358.348 2.793 0 50 FFAA O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 770594077 TYNJTSZKZKSGFT-CQSZACIVSA-N 365.393 2.555 0 50 FFAA O=C(c1cccnc1)N1CCC(NCc2ccc3c(c2)OCCCO3)CC1 1506421782 JUISPHYNLAJFPQ-UHFFFAOYSA-N 367.449 2.637 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1C 1529091860 RMNMKTHTAIWPJW-WOJBJXKFSA-N 366.461 2.902 0 50 FFAA CC1=CC2(CCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)CC2)OCC1 1704326419 CZPMSEVAFVORRE-UHFFFAOYSA-N 363.439 2.560 0 50 FFAA O=S(=O)(NCCCCn1ccnc1)C1=Cc2cc(Cl)ccc2OC1 1475149436 VWCVVNZETHDMSG-UHFFFAOYSA-N 367.858 2.670 0 50 FFAA COc1ccc(CN2CCC(C(=O)NCc3cccnc3)CC2)cc1OC 5578879 MBYVJCIEUOSTLO-UHFFFAOYSA-N 369.465 2.627 0 50 FFAA O=C(C1CC1)N1CCC(Oc2cccc(C(=O)N3CCCCO3)c2)CC1 11753467 KSJZVSXWMUFMLW-UHFFFAOYSA-N 358.438 2.634 0 50 FFAA CC1=C(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)OCCO1 12202129 YLZZMUVVPIXVFO-OAHLLOKOSA-N 371.355 2.754 0 50 FFAA CC(=O)NCc1nnc(SCc2ccncc2)n1Cc1ccccc1 12508958 WHCQXMWJPMTUPY-UHFFFAOYSA-N 353.451 2.650 0 50 FFAA CCc1nnc(SCC(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)o1 12594092 HDHGGEATKRWAQH-INIZCTEOSA-N 374.510 2.847 0 50 FFAA COc1cc(NC(=S)N2CCN(c3ccccn3)CC2)cc(OC)c1 18137828 MMAUNIXBVYSDGB-UHFFFAOYSA-N 358.467 2.618 0 50 FFAA CCOC(=O)c1c(NC(=O)CSc2nccc(O)n2)sc(C)c1C 18172838 CMFYFLNWZNAABO-UHFFFAOYSA-N 367.452 2.768 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC[C@H]1CCO[C@@H]1c1cnn(C)c1 1857532029 UJPLZBLMJBUGOC-UZLBHIALSA-N 351.454 2.782 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)NCCC2CCN(Cc3ccccc3)CC2)C[C@H]1N 1857728131 OUSYTBDZELWHCP-PWRODBHTSA-N 373.541 2.547 0 50 FFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C[C@H]1CCCCO1 328623471 JFBADNAHNFQNBB-QWHCGFSZSA-N 359.392 2.882 0 50 FFAA Cn1cc(N2CC[C@H](N3CCc4c(Cl)cc(Cl)cc4C3)C2=O)cn1 128753435 YMZWEJUQUCVIAQ-INIZCTEOSA-N 365.264 2.891 0 50 FFAA O=C(c1nc(N2CCCC2)ncc1Cl)N1CCOC2(CCCC2)C1 151492682 DRPCCOCJUHQNCF-UHFFFAOYSA-N 350.850 2.515 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CCO1 263046938 WKCUTVWKQUVJGC-YDHLFZDLSA-N 372.446 2.658 0 50 FFAA CN1CCC[C@H]1c1cc(C(=O)N2CCC(=O)C[C@H]2c2ccccc2)n[nH]1 908335758 UFWNQHBRBQDFQU-OALUTQOASA-N 352.438 2.723 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)OC2)c1cn(-c2cccc(Cl)c2)nn1 808458579 HKDMMQIZLMRAIS-UHFFFAOYSA-N 354.753 2.843 0 50 FFAA O=C(O)C1(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)CCCC1 911208082 IOLLMHYSNNGWEB-UHFFFAOYSA-N 368.836 2.768 0 50 FFAA COCc1cc(C)nc2sc3c(=O)n(CCO)c(-c4ccco4)nc3c12 1425731 KTEGHYKWEJRTLS-UHFFFAOYSA-N 371.418 2.713 0 50 FFAA CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12 623761 NHCHQRCGPRAEFF-UHFFFAOYSA-N 356.172 2.545 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(=O)ccoc2c1 2325703443 QAJSXUFDLFRLHD-CVEARBPZSA-N 361.401 2.987 0 50 FFAA Cc1nn(C(F)F)c(C)c1N=c1ccc(C(=O)NC2CCCC2)n[nH]1 2325746453 CXKPQUPZYYKFCU-UHFFFAOYSA-N 350.373 2.523 0 50 FFAA O=C(c1occc1-c1ccc(F)c(F)c1)N1CCN(Cc2ncc[nH]2)CC1 2325798624 HXOXYMYSJYOYJZ-UHFFFAOYSA-N 372.375 2.906 0 50 FFAA CC1(C)[C@@H](N)C[C@H]1CC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 2325799799 YIRYSZPJBOBQHK-WFASDCNBSA-N 352.425 2.538 0 50 FFAA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1F 1116736 XPQQDKHUTQFNHK-UHFFFAOYSA-N 359.426 2.789 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccccc3)C2=O)cc1 1130014 WTBAPSQGSAOFRO-INIZCTEOSA-N 354.431 2.999 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c1 1142042 QRABJNADDXODPT-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC 1446222 AEQVSNRZXZYCGV-UHFFFAOYSA-N 355.799 2.936 0 50 FFAA CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 2994883 HCAOESZYCSFODM-UHFFFAOYSA-N 352.500 2.782 0 50 FFAA COc1ccc(N(C(=O)c2ccccc2F)[C@H]2C=CS(=O)(=O)C2)cc1 4076246 ZLLPZAFISORERT-AWEZNQCLSA-N 361.394 2.792 0 50 FFAA COc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 4866594 UJJGWVAECHQZKN-GFCCVEGCSA-N 366.414 2.628 0 50 FFAA NC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cs1 6681489 WXHQCKGQBAKCDI-UHFFFAOYSA-N 351.236 2.955 0 50 FFAA Cc1cccc(N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)c1C 6710560 NWPWTQFTDYDLED-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA C[C@@H](NC(=O)COc1ccc(-c2nnc(N)o2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 225543856 KMEAAOJPAKXTDK-DSPQJCBJSA-N 356.426 2.639 0 50 FFAA CCCCN(CC(N)=O)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 136844818 WJIRBLQYNRTHJC-UHFFFAOYSA-N 353.348 2.649 0 50 FFAA COCc1cn(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)nn1 23542216 QSCCZYVSNHFDSG-UHFFFAOYSA-N 351.357 2.572 0 50 FFAA OCC[C@H]1CN(c2cc(N3CCCCC3)ncn2)CCN1C1CCCCC1 106969766 UBHBKKGGPHHRTO-IBGZPJMESA-N 373.545 2.673 0 50 FFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1ccccc1Cl 27064426 IPEHXXSDRDYVOP-DZKIICNBSA-N 367.902 2.682 0 50 FFAA biogenic CC(=O)N[C@H](C)C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67805530 XWVXSUZVRMSRQV-CQSZACIVSA-N 368.433 2.613 0 50 FFAA CN1CCCn2nc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)cc2C1 67947192 ADMMZEPTGDRSOL-UHFFFAOYSA-N 372.860 2.521 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)[C@@H](C)CN2CCCC2)cn1 67894432 YJPZFZQLSGFXCO-HNNXBMFYSA-N 354.454 2.925 0 50 FFAA CCn1nc(C)c(-c2cc(C(=O)O)n3ncc(Br)c3n2)c1C 20605630 LMVUNRUJTCIWMX-UHFFFAOYSA-N 364.203 2.690 0 50 FFAA Cc1ccc(-n2cccn2)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 20454956 VJZFBJABFOELGF-NRFANRHFSA-N 368.525 2.992 0 50 FFAA COc1ccc2c(C)nc(N3CCCO[C@H](CN4CCCC4)C3)nc2c1 67982804 NWTGHQZZOHEPGL-QGZVFWFLSA-N 356.470 2.638 0 50 FFAA CC[C@@H](CO)NC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67654734 HIXOEJLXMTVNSC-NSHDSACASA-N 361.423 2.672 0 50 FFAA Cc1c(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)cnn1C 11814539 YZVLEOOVTUMDBR-UHFFFAOYSA-N 366.465 2.953 0 50 FFAA C[C@H](NC(=O)c1coc(COc2cccc(F)c2F)n1)c1cnn(C)c1 11948540 WCYGNMKLDULAFZ-JTQLQIEISA-N 362.336 2.756 0 50 FFAA CC(C)[C@H](CNC(=O)NCC(=O)NCc1ccco1)Cc1ccccc1 252571012 XOFKRIVQASMBEU-KRWDZBQOSA-N 357.454 2.710 0 50 FFAA O=C(COc1ccccc1)N1CCN([C@H]2CCc3ccccc3C2)CC1 215317601 LALYJMOPEIOLIH-FQEVSTJZSA-N 350.462 2.767 0 50 FFAA Cc1cc2cc(C(=O)N3CCC(C(=O)O)(n4cccn4)CC3)ccc2o1 72428631 FNQFVZSYGASUNC-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA O=C(CCn1cccn1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123389143 WWEOEAWRBUWRDV-GJZGRUSLSA-N 353.344 2.627 0 50 FFAA O=C(c1cccc2c[nH]nc12)N(Cc1nccs1)[C@H]1CC12CCNCC2 435569697 SYXBNGZKHMGVRL-HNNXBMFYSA-N 367.478 2.804 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cc(F)ccc1-n1cccn1)C2 219887954 GWEXUNKUWSLVRE-LJQANCHMSA-N 355.417 2.667 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@H](N3CCCC3)C2)[C@@H]1c1ccccc1 363531725 XLYWLSTWADSYPV-ZJOUEHCJSA-N 369.509 2.683 0 50 FFAA COc1cc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc(C)n1 367082950 BUJFQWFSNCCYNZ-LPHOPBHVSA-N 354.454 2.559 0 50 FFAA CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCOCC1 32497763 KRTFHXXTYSETLU-UHFFFAOYSA-N 358.442 2.918 0 50 FFAA CC(C)CN(C)C(=O)[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCO1 72421354 UFBHPXGEYNCTEP-LJQANCHMSA-N 374.529 2.840 0 50 FFAA O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)Cn2ccccc2=O)C1 215724025 YPRXNKSRLYYDOQ-OAHLLOKOSA-N 358.825 2.623 0 50 FFAA CCCCc1nc(CN2CCN(C(=O)c3ccccc3OC)CC2)c[nH]1 72128319 MVWDATRHWPEXSH-UHFFFAOYSA-N 356.470 2.719 0 50 FFAA NC(=O)c1cccnc1N1CCC(Cc2ccc(Cl)cc2)(C(=O)O)CC1 71661465 UNVGECNFQDYGJA-UHFFFAOYSA-N 373.840 2.748 0 50 FFAA CSCCN1CCC(NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 72453555 LAXAJIQWEPHBHF-UHFFFAOYSA-N 364.555 2.947 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@H]1CC(=O)O 263036736 VILMYSDMPPTGAV-BLLLJJGKSA-N 366.845 2.560 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(F)c(Cl)c3)C2)CN1CCO 77354855 FMUHNTDWMIECRY-GOSISDBHSA-N 354.853 2.676 0 50 FFAA CN(Cc1cccc(Cl)c1)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 222290785 ZLLZAARWFHOCSQ-SFHVURJKSA-N 366.845 2.592 0 50 FFAA O=C(O)CC[C@]1(CCC(=O)NCc2ccc3sccc3c2)CCC(=O)N1 222331025 XXLMHOPFOZDULU-IBGZPJMESA-N 374.462 2.811 0 50 FFAA COc1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c(OC)cc1Cl 47989143 IVEYCENWPJXYKI-UHFFFAOYSA-N 369.849 2.689 0 50 FFAA O=C(NCc1ccc(C(=O)O)cc1)Nc1ccc(CN2CCCC2=O)cc1 263492746 PNTFJPHETJJDQA-UHFFFAOYSA-N 367.405 2.829 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(-c4ccsc4)[nH]n3)[C@H]2C1 426370915 HSNTVHLUYMTDBP-RPVQJOFSSA-N 361.467 2.937 0 50 FFAA CC(C)N1CCC[C@H](N2CCC(C(=O)N3CCc4ccccc43)CC2)C1=O 177691821 QFVXJYFECDNQHW-FQEVSTJZSA-N 369.509 2.687 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)N1CCC(CCc2ccccc2)CC1 426405234 ZMJPQUBJGDCQNP-NRFANRHFSA-N 373.541 2.888 0 50 FFAA O=C(NCc1cc2n(n1)CCN(Cc1ccc(Cl)o1)C2)C1CCCC1 426707301 YKFCHVGAOKUPSG-UHFFFAOYSA-N 362.861 2.952 0 50 FFAA CC(=O)N1CCC[C@H](c2nc(CN3C(=O)c4ccccc4C3=O)cs2)C1 178351357 HBZRMIXGNIFLSN-ZDUSSCGKSA-N 369.446 2.665 0 50 FFAA COc1ccc(-c2ccccc2)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 226773416 PCBJUYJXNXXCMY-YRXWBPOGSA-N 365.385 2.955 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)C(=O)CCc3ccccc3)CC2=O)cc1 82099489 GRLLXXPDPAIPSG-QGZVFWFLSA-N 364.445 2.761 0 50 FFAA O=C(NCCCn1ncc2ccccc21)c1cccc(N2CCOCC2)c1 220310803 DZCQVRHATDESBL-UHFFFAOYSA-N 364.449 2.693 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1onc3c1CCCC3)C2 426381399 FGVZXSRWBXBZHN-LSDHHAIUSA-N 357.454 2.583 0 50 FFAA CC(=O)c1cn(CC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2ccccc12 238882069 CHIPAZMYAJZORL-SHTZXODSSA-N 356.422 2.851 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1 95355428 XTTJJHMCMMEANV-MRXNPFEDSA-N 365.412 2.880 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H]2C)ccc1O 239415225 UAHKWVUOSCTMDX-SEHCQNQUSA-N 360.410 2.761 0 50 FFAA CCc1nc(CCNC2CCN(c3ncnc4c(C)csc34)CC2)no1 95510777 YPJWJYQPNFBGHT-UHFFFAOYSA-N 372.498 2.746 0 50 FFAA CCn1nccc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 95526837 VRLMMQIDYGBADO-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA Cc1ccc2nc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)cn2c1 91425611 KUHXZZFITYEKGO-IBGZPJMESA-N 363.465 2.995 0 50 FFAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)c(C)c1 95498162 ZUBNSKRDOSEWJQ-OAHLLOKOSA-N 370.453 2.998 0 50 FFAA CCN(CC)[C@H](CNC(=O)c1cc(C)n2nc(C)cc2n1)c1ccco1 97642120 KSILLKVATKLZKQ-MRXNPFEDSA-N 355.442 2.752 0 50 FFAA Cc1nn(CCC(=O)N(C)Cc2cc(-c3cccnc3)no2)c(C)c1C 91876469 INAZRTVMVVTVJG-UHFFFAOYSA-N 353.426 2.907 0 50 FFAA CCOC(=O)Cc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1 95502914 UKFWGUDCYFJIAE-UHFFFAOYSA-N 368.437 2.541 0 50 FFAA CNC(=O)c1cc(NC(=O)N(C)CC[C@H](O)c2ccccc2)ccc1OC 95512344 BLIQBSKBGIENDB-KRWDZBQOSA-N 371.437 2.642 0 50 FFAA Cn1nnc2ccc(C(=O)NC[C@]3(C)CCCN3Cc3ccccc3)cc21 162339428 WJTDZCYLSKRUFB-NRFANRHFSA-N 363.465 2.753 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1c(C)nc3ccccn13)C2 91690983 PEHGSUZUPQPILJ-INIZCTEOSA-N 365.433 2.861 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)O4)[nH]n2)s1 91643573 IXDHYTRDNPFYTE-UHFFFAOYSA-N 360.439 2.503 0 50 FFAA Cc1cc([C@@H]2CCCCN2Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)no1 91846684 URKRDAWGYXLOBJ-SFHVURJKSA-N 366.421 2.651 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)on1 92062275 RLQJIWSFZICTOI-OAHLLOKOSA-N 365.437 2.897 0 50 FFAA CC(C)c1csc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)n1 95374259 UFDTWSSIRIIMLV-BFUOFWGJSA-N 372.446 2.970 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)cc1Cl 244899759 ZPPBVQFXBQGLEF-MCIONIFRSA-N 356.253 2.721 0 50 FFAA O=C(N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1)c1ccc2c(c1)CCO2 253535410 OXVQBQBMCNJMKQ-SHTZXODSSA-N 351.406 2.671 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCCN(c2cccc(F)c2)C1 184383457 ANKCYVFTSWIRAE-AWEZNQCLSA-N 354.389 2.659 0 50 FFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)N2CC(N3CCCCC3)C2)C1 534579006 NEFHVFLBKHRRRM-IBGZPJMESA-N 370.541 2.697 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccccc2-n2cccn2)C2(CCCCC2)O1 299802173 XUDCBWQTGWUORD-INIZCTEOSA-N 353.422 2.755 0 50 FFAA COCCOc1cccc(NC(=O)N2CCC(Oc3ncccn3)CC2)c1 299794772 JVKNTYHBDJMMBV-UHFFFAOYSA-N 372.425 2.577 0 50 FFAA CC(C)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nc(N)n1 825584151 VWJKOWCLTCKQHN-UHFFFAOYSA-N 359.861 2.798 0 50 FFAA CN(C)c1ncc(/C=C/C(=O)N2CCN(c3ccccc3Cl)CC2)cn1 827950540 GKHQIAQEDMYAOB-BQYQJAHWSA-N 371.872 2.558 0 50 FFAA Cc1nn(C)c2ncc(CN(C)Cc3cccc(OCCN(C)C)c3)cc12 952846149 KACKGAVZVJXDGW-UHFFFAOYSA-N 367.497 2.849 0 50 FFAA Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(CN)cc2)cc1 1875263633 SHHZRYRQWZZTRO-UHFFFAOYSA-N 353.447 2.983 0 50 FFAA CNC(=O)[C@H](NC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 1875253754 ARAMMVZONCHOEX-IENJSVCTSA-N 351.431 2.913 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 1875365604 FNFSCYOZLVUVEH-UHFFFAOYSA-N 363.408 2.928 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)O)CN(C(=O)c1n[nH]c3c(C)cccc13)C2 1875300953 XJQPVQKWYMRNFY-INIZCTEOSA-N 365.389 2.704 0 50 FFAA CCn1nnc(C)c1CN[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C)C2)C12CCC2 1875408215 QSKAHXDPBPRHEO-UWIFEVILSA-N 359.518 2.560 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)o2)cc1 952968531 OZIMCPHYQWXGSE-UHFFFAOYSA-N 370.449 2.892 0 50 FFAA Cc1cc2cc(C(=O)N[C@H]3CCN(Cc4cscn4)C[C@@H]3O)ccc2o1 1565529283 FSTBOKXGCPXEDB-IRXDYDNUSA-N 371.462 2.563 0 50 FFAA C[C@@H](NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[C@H](O)c1cccc(F)c1 771732271 JEECLSFYEAVUFM-PXAZEXFGSA-N 374.387 2.922 0 50 FFAA COc1ccc(CCN(CCn2cnnc2C)Cc2ccccn2)cc1 1506413663 SRDLQFXEOMKTEB-UHFFFAOYSA-N 351.454 2.735 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2scc3c2OCCO3)C[C@@H]1C(=O)O 220156304 JXABOTGGRTWNNP-KGLIPLIRSA-N 373.430 2.768 0 50 FFAA CCCC[C@H]1CN(CCC(=O)NCCc2cn[nH]c2)Cc2ccccc2O1 11972784 WEBQYONKXAEYAY-IBGZPJMESA-N 370.497 2.912 0 50 FFAA CCn1ccnc1CNC(=O)c1cc(COc2ccc(F)c(F)c2)on1 12305542 JFMASPVADGMFAL-UHFFFAOYSA-N 362.336 2.678 0 50 FFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCCC(C)C)C2 14539543 JTGHIDHERXWYDF-KRWDZBQOSA-N 369.513 2.721 0 50 FFAA CCCn1ncc(CN2CCC[C@](CCOC)(C(=O)OCC)C2)c1C 14972734 XXFKXNODSANWNQ-LJQANCHMSA-N 351.491 2.783 0 50 FFAA COCC(=O)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 15074526 CRSQRZYCYKJVQU-LJQANCHMSA-N 365.562 2.602 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(N[C@@H]3CCOC(C)(C)C3)nc2)no1 19771033 GHBFEJPKYRPPNP-CQSZACIVSA-N 373.457 2.888 0 50 FFAA O=C(N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1ccccc1 19800054 FDSUBHNXZLKPLY-WCQYABFASA-N 351.661 2.881 0 50 FFAA Cc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)c(C)c1 19973641 AFNBBMLLGVAVKA-UHFFFAOYSA-N 366.469 2.567 0 50 FFAA CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(F)cc4)C3)nn2)n1 169778160 RGVIQXJRQSZKRM-CQSZACIVSA-N 370.388 2.678 0 50 FFAA NC(=O)CCCn1cc(-n2ccnc2-c2ccc(OC(F)F)cc2)cn1 1857684884 IWUDKMNFYSKBMF-UHFFFAOYSA-N 361.352 2.603 0 50 FFAA COCCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CCCCCC3)C2)C1 1857690674 KZIHYHQHKPDXHZ-TZIWHRDSSA-N 366.546 2.669 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1ccccc1-n1nc(C)cc1C)C2 1857691232 BGVHUKXVYQSXOD-FQEVSTJZSA-N 354.454 2.906 0 50 FFAA Cc1nc2c(c(=NCC3CC3)[nH]1)CCC21CCN(Cc2ccccn2)CC1 1857698659 CFLZKSOYIXBMEV-UHFFFAOYSA-N 363.509 2.904 0 50 FFAA Cc1nc(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)cs1 1857699621 WTGNGPPTESHNRQ-HZPDHXFCSA-N 352.500 2.551 0 50 FFAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCc2[nH]nc(C3CC3)c2CC1 1857701226 IAZPCXIKPBSGDM-IEBWSBKVSA-N 350.466 2.708 0 50 FFAA Cn1ccnc1CN1CCC2(CC1)CN(CC1CCCCC1)C[C@@H]2C(=O)O 1857703696 WQAOAWICNSSWDW-GOSISDBHSA-N 374.529 2.599 0 50 FFAA COCCn1ccnc1-c1nccn1C[C@H]1COc2c(cccc2OC)C1 1857708231 WTWBJTNETCQYLD-HNNXBMFYSA-N 368.437 2.653 0 50 FFAA Cc1cnc(C)c(N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)n1 1857734681 ZUPLYRPQJXTPAF-UHFFFAOYSA-N 351.454 2.951 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 213377866 KATYLKZZQQISRP-QUCCMNQESA-N 363.461 2.582 0 50 FFAA O=C(Cc1cccnc1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225404546 UGVJWQMTFALFDP-XJKSGUPXSA-N 350.340 2.977 0 50 FFAA Cc1cccn2c(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cnc12 328655220 YEIWPECFZUAFPC-FXAWDEMLSA-N 366.513 2.891 0 50 FFAA Cn1cc(Br)c(CNC(=O)N2CC[C@H](C3CCCC3)C2)n1 333127045 AKUHEKPWRDDSAY-LBPRGKRZSA-N 355.280 2.904 0 50 FFAA O=C(O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 238026746 UZDHDNHZFSSDIO-UONOGXRCSA-N 352.228 2.876 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1sccc1Br 238095226 DFZUPGMYXXIHAQ-VIFPVBQESA-N 362.245 2.607 0 50 FFAA CC(C)c1cncnc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 248195438 PAAHRVBKQBDQAN-HIFRSBDPSA-N 357.483 2.684 0 50 FFAA C[C@](NC(=O)Cc1cccc(OC(F)(F)F)c1)(C(N)=O)c1ccccc1 164144636 KPKZLXGSOVLSSI-QGZVFWFLSA-N 366.339 2.645 0 50 FFAA Cc1nc(SCCOc2ccc(F)cc2Br)[nH]c(=N)n1 2325842948 NRFOTBMMMULTIM-UHFFFAOYSA-N 359.224 2.665 0 50 FFAA CCNS(=O)(=O)c1ccc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)nc1 2325854880 ZYOMJIMGVIPIRX-DZGCQCFKSA-N 363.458 2.901 0 50 FFAA CC[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cccc2c1CCC(=O)N2 2325867040 IQBSRAWWKGUTTN-CQSZACIVSA-N 359.470 2.538 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc3c(cc2SC)OCCO3)C1 2325888535 BMQFPRUQSUULBB-GFCCVEGCSA-N 362.451 2.543 0 50 FFAA Cc1ccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c(C)c1 792112 HPTRUWZXDVSBEE-UHFFFAOYSA-N 365.437 2.776 0 50 FFAA Cc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C 793429 RXIPSEZHMRTVDS-INIZCTEOSA-N 366.417 2.701 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccco2)cc1 1068507 JPGVTLZFMJDNDG-KRWDZBQOSA-N 364.467 2.597 0 50 FFAA CCN(CC)C(=O)n1nc(C)c(CN2C(=O)c3ccccc3C2=O)c1C 1126120 OVKZSOLOQAFJAL-UHFFFAOYSA-N 354.410 2.606 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 1143334 WJCQBCJQXAGNFQ-UHFFFAOYSA-N 361.419 2.584 0 50 FFAA COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccs1 1835937 OZVMXGUEYINDCN-AWEZNQCLSA-N 366.464 2.588 0 50 FFAA NC(=O)c1cccc(Nc2ccccc2OC[C@@H](O)CN2CCCCC2)c1 2356144244 OQVNMYSYRWIOCH-SFHVURJKSA-N 369.465 2.755 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccccc2OC(F)F)C1=O 2356144898 QWLNWYASBLGDOW-IBGZPJMESA-N 368.424 2.891 0 50 FFAA COCCCN[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 6627055 SUHVDKQLBJQAKI-GOSISDBHSA-N 372.421 2.887 0 50 FFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H](C(N)=O)C1 225851756 HJCOXYSRDLCKTD-SNVBAGLBSA-N 358.364 2.501 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2n[nH]c3ccccc3c2=O)C1 111633612 QZACUKHLQBRPIJ-CQSZACIVSA-N 356.470 2.554 0 50 FFAA CCOC(=O)c1cn(Cc2cc(C)n[nH]2)cc(Oc2ccccc2)c1=O 55061099 IUFJKOXELJOZFQ-UHFFFAOYSA-N 353.378 2.897 0 50 FFAA CCN(Cc1nc(COC)no1)C(=O)[C@H](C)Oc1cccc(Cl)c1 55575329 LAKKGSPSTDNKTR-NSHDSACASA-N 353.806 2.685 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCN1CCOCC1)CCO2 67641816 NHDKZWNVRRFDPI-UHFFFAOYSA-N 368.477 2.894 0 50 FFAA Cc1cc(F)cc2[nH]c(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)cc12 116741584 BUWAMCQHTRLDIU-INIZCTEOSA-N 363.458 2.997 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cc(C(C)C)[nH]n2)C[C@H]1CCO 104558101 SZCSOVIQWLDELH-HXUWFJFHSA-N 356.514 2.910 0 50 FFAA Cc1ccccc1[C@H]1N[C@](CO)(CCO)[C@H]2CN(Cc3ccccc3)C[C@@H]12 65410075 ZPQGDHUKBRWDEI-ACESQOTJSA-N 366.505 2.501 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)C[C@@H]3CCCN3C)nc2)n1 20540958 WKZVJFAPOBGEJZ-INIZCTEOSA-N 373.526 2.561 0 50 FFAA CCn1c(CC2CCN(Cc3cc4ccccc4[nH]3)CC2)nn(C)c1=O 67688403 ZNTLAZBBRXDGTI-UHFFFAOYSA-N 353.470 2.538 0 50 FFAA C[C@H](c1noc([C@H]2CC(=O)N(c3cn[nH]c3)C2)n1)c1c(F)cccc1F 350646069 NLYDSDARSOJXSX-UWVGGRQHSA-N 359.336 2.743 0 50 FFAA O=C(c1ccccn1)N1CCC(N2CCC(c3ccncc3)CC2)CC1 67713300 ORJFFWPCYWOVOX-UHFFFAOYSA-N 350.466 2.961 0 50 FFAA CC[C@H](C(=O)N1CCC[C@@H](C)C1)N(c1cccc(C)c1)S(C)(=O)=O 67623087 LXNQXDUFOVVOJJ-NVXWUHKLSA-N 352.500 2.798 0 50 FFAA COc1ccccc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 20274962 VBLBDNWLPJUNIU-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1 72409580 BUXQIAYCGKJSFX-CQSZACIVSA-N 368.424 2.861 0 50 FFAA CN1CCc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2C1=O 123566643 ALKTXBDTYORZCN-UHFFFAOYSA-N 360.417 2.812 0 50 FFAA CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)C[C@@H]1C(=O)O 215791144 YWRSJLVHZMSKLA-HXUWFJFHSA-N 354.450 2.509 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 153861048 NJAXQFGJCMAOGA-YLJYHZDGSA-N 367.493 2.902 0 50 FFAA O=C1CCN(C[C@@H](O)COCc2ccccc2F)c2ccc(F)cc2N1 126894337 YBFUTDMTRUTYLB-OAHLLOKOSA-N 362.376 2.691 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)OC)[C@@H]2C3CCN(CC3)[C@H]12 72153743 XTTUDDAKISUNDU-QXAKKESOSA-N 358.482 2.509 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@H]3c2nnc(C)o2)c(C2CC2)n1 369158538 UWLBTGCFQGLXQW-HNNXBMFYSA-N 353.426 2.764 0 50 FFAA Cc1sc2nc(CN3CC(C)(C)O[C@@]4(CCOC4)C3)nc(O)c2c1C 369539856 GWECMFCMJXUSNE-SFHVURJKSA-N 363.483 2.784 0 50 FFAA C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CC(=O)N2 445193690 TVARQKJFHQPWDM-CQSZACIVSA-N 374.444 2.997 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccc(F)cc1F 72437520 WNIAUCLJSYWMIM-UHFFFAOYSA-N 362.384 2.589 0 50 FFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@H](CC(=O)O)C1 237340636 VVLWDJPRKOTYLH-SMDDNHRTSA-N 359.344 2.586 0 50 FFAA Cc1nn(CCC(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)c(C)c1C 72152354 LIRYXWHYDYEZPH-IBGZPJMESA-N 374.529 2.694 0 50 FFAA CC(C)(CNC1CCC2(CC1)C(=O)Nc1ccccc12)C1(O)CCOCC1 333932844 HDAIIAMCWDZFJT-UHFFFAOYSA-N 372.509 2.976 0 50 FFAA Cn1cc(Oc2ccccc2C(=O)N2CC[S@](=O)C(C)(C)CC2)cn1 333964850 PKEHVUWAWJFKOI-VWLOTQADSA-N 361.467 2.586 0 50 FFAA CCc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)o1 72426190 NPCOJXDNRCPACJ-HNAYVOBHSA-N 356.470 2.621 0 50 FFAA CCc1cnc(C)nc1N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 72154108 VCUKSLPJWBIPPV-SFHVURJKSA-N 352.486 2.880 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H](N)Cc1c[nH]cn1 77288206 GNWPWOXLWQKYEE-IBGZPJMESA-N 350.422 2.730 0 50 FFAA O=C(NCc1ccc(N2CCCC2)nc1)N[C@@H]1CCN(CC2CCCC2)C1 174882978 XGSAEXOFCRVTCM-LJQANCHMSA-N 371.529 2.746 0 50 FFAA O=C(NCCc1nc(C(=O)O)cs1)c1ccc(N2CCCCC2)cc1 220450265 VHXBBPMZPLGWHQ-UHFFFAOYSA-N 359.451 2.804 0 50 FFAA Cn1cc([C@@H](NC(=O)c2ccccc2C(F)(F)F)C2CC(O)C2)cn1 222640368 ZZDVLCDILKJVIR-QHAMSDLMSA-N 353.344 2.681 0 50 FFAA Cn1cnnc1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 426372380 VHKJSQSDFUDLBB-CYBMUJFWSA-N 355.467 2.764 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 82098298 HEIMLMFUXGNGOF-OAQYLSRUSA-N 367.497 2.560 0 50 FFAA Cc1nc(N(C)C)nc(N2CCC3(CC2)Nc2ccccc2NC3=O)c1C 82161104 YRYNDLLHCBQWFQ-UHFFFAOYSA-N 366.469 2.563 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCO[C@](C)(c2ccccc2)C1 177705599 OVJMADTXJYBPOR-FQEVSTJZSA-N 366.421 2.771 0 50 FFAA CSc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 82146533 DVZXDOANSZLLPK-HXUWFJFHSA-N 362.539 2.996 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@H]2CCn2cccn2)cc1 222858219 GRYYZIXHEGYCIE-IBGZPJMESA-N 368.481 2.783 0 50 FFAA Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 325006864 ATJRXRPNWGQOFB-UHFFFAOYSA-N 361.301 2.997 0 50 FFAA Cc1cc(C)c2c(n1)nn1c(C(=O)O)cc(-c3ccc4c(c3)OCO4)nc21 20615719 PJBNXBKVUPREBI-UHFFFAOYSA-N 362.345 2.988 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)n1 426635537 SVFJGRJBIIVOKI-UHFFFAOYSA-N 370.457 2.542 0 50 FFAA CC[C@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1cnn(C)c1 426429782 JQTMNOGBVJQHRI-SFHVURJKSA-N 357.458 2.657 0 50 FFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239415211 TZRBMJVRIHUIBQ-ZWRLCHQNSA-N 364.445 2.684 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccccc3)CCCC1)C2 91769051 YMBOQVHJWBEJQY-PKOBYXMFSA-N 370.493 2.594 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)CN(C)Cc1ccc(C)cc1)CC2 91304411 UFCGICKTHFQOEI-UHFFFAOYSA-N 371.525 2.678 0 50 FFAA CN(C)[C@H](C(=O)NCc1nncn1C1CCCCC1)c1ccc(F)cc1 95357714 HUXICVMMLPIGLY-SFHVURJKSA-N 359.449 2.842 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc(NCC)nc2)C1 95379837 CWACBCFMHVBTHP-OAHLLOKOSA-N 356.474 2.925 0 50 FFAA O=C1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)c2cc(F)ccc2N1 92099769 LCLFVICZZSFMKR-CYBMUJFWSA-N 373.453 2.946 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)NCCc3nnc(C)s3)cc2)n1 426684356 DDTYNWXYKWWOSY-UHFFFAOYSA-N 353.451 2.893 0 50 FFAA CC(C)(C)c1ccc(OC[C@@H](O)CN2CC3(CCNCC3)CCC2=O)cc1 91551075 URLQOSJUXKOVGV-SFHVURJKSA-N 374.525 2.716 0 50 FFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC2(CC1)OCCC[C@H]2O 97301243 NJWFQHWQGRLZRE-MRXNPFEDSA-N 355.438 2.531 0 50 FFAA CCOc1ccc([C@@H](C)Nc2nc(C)ncc2S(C)(=O)=O)cc1F 95385302 JCJRMSDMVSLAAV-SNVBAGLBSA-N 353.419 2.899 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3)c(C)c2c1 91625066 JCNWMNXFHINVMN-IBGZPJMESA-N 361.445 2.968 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91896158 CYJYCXCHKYFZIE-SFHVURJKSA-N 352.910 2.859 0 50 FFAA O=C(NCCN1CCCc2ccccc21)Nc1ccc2c(c1)C(=O)OC2 96163888 HSHLLNREITWNJF-UHFFFAOYSA-N 351.406 2.931 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91859262 FDZDRENCBKQFOK-FQEVSTJZSA-N 362.420 2.758 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(Cc2cccs2)CC1 97323935 FSOPISBXSCQCJR-FQEVSTJZSA-N 369.534 2.885 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@@H]3CC(=O)N(C)C3(C)C)cs2)c1 244707910 KJWNRQOGNRYYKT-HNNXBMFYSA-N 357.479 2.992 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)NCC1(Cn2ccnc2)CC1 534647184 GIIWUGUEAUMYQW-UHFFFAOYSA-N 356.455 2.510 0 50 FFAA Cc1ccc(-c2noc([C@H](C)NC(=O)N(C)CCn3ccnc3C)n2)cc1 534647263 NJQUFVGJFMNORG-AWEZNQCLSA-N 368.441 2.953 0 50 FFAA C[C@@H](CN1CCOCC1)NC(=O)N(C)Cc1cnc(-c2ccccc2)s1 534672990 AORSFLMKSULYFX-HNNXBMFYSA-N 374.510 2.672 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)CCc3scnc3C)nc2c1 299756899 JYUCEZJPBMCPSW-UHFFFAOYSA-N 358.467 2.970 0 50 FFAA COc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1OCCCN 299757726 JABWZMDJVGQPMF-GOSISDBHSA-N 370.449 2.716 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1C 299764640 BVFHZBGUELSPMT-UHFFFAOYSA-N 368.412 2.729 0 50 FFAA COc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)C2)cc1OCCCN 299757729 JABWZMDJVGQPMF-SFHVURJKSA-N 370.449 2.716 0 50 FFAA O=C(c1ccoc1)N1CCCN(Cc2cnn(-c3cccc(F)c3)c2)CC1 826621229 SGXHXTHBVCWVSV-UHFFFAOYSA-N 368.412 2.953 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(OC(F)F)cc1 825698944 KOUCPCXGRBBACM-ZDUSSCGKSA-N 364.348 2.916 0 50 FFAA CO[C@@H]1C[C@H](CN[C@H]2CCCOc3ccccc32)N(c2ccncn2)C1 952886924 GIDQFGFFMJTMRE-NUJGCVRESA-N 354.454 2.574 0 50 FFAA COC[C@]1(CNC(=O)c2ccccc2N(C)C)OCCc2ccccc21 1875267880 ODOVTIYDXCBRSX-NRFANRHFSA-N 354.450 2.597 0 50 FFAA CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C[C@H]2C[C@]24CCOC4)CC3)o1 1875406908 OSPRMQLCXMWNPI-JJDSTIRJSA-N 358.482 2.948 0 50 FFAA O=C(Nc1ccc(-n2nccn2)nc1)N1CCC(Cc2nccs2)CC1 878296204 MPOWWVMJGQJEJB-UHFFFAOYSA-N 369.454 2.605 0 50 FFAA CN(C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[C@@H]3c3ccccc3)C[C@H]2C1 1355431617 DLSWOBWXUMUOLD-PFAUGDHASA-N 356.510 2.995 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1565508162 PWQXXYMVJFNEPZ-CVEARBPZSA-N 372.513 2.724 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CCNCC2 275696125 NFBBHPLLCMVRJC-ZDUSSCGKSA-N 364.902 2.920 0 50 FFAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCC1(O)CCOCC1 169994460 BNWWFHRGVGCKDN-UHFFFAOYSA-N 358.438 2.982 0 50 FFAA Cc1csc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Cl)nc3)C2)n1 170641701 WBYYUMSJNWFDFQ-LLVKDONJSA-N 364.858 2.845 0 50 FFAA CO[C@@H]1CN[C@@H](C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1 191928146 MGEOBKRTMPPYCN-GOEBONIOSA-N 355.369 2.949 0 50 FFAA COc1ccc(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(OC)c1 1529189275 JTRIXBOYASUAQC-USTZCAOPSA-N 360.498 2.824 0 50 FFAA CC(C)CC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1 1529112628 QGQVBPFESMDWBK-CVEARBPZSA-N 350.846 2.591 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCCN(c2ccncc2F)CC1 1772815194 ZABOZRMHXKXGRJ-OAHLLOKOSA-N 359.449 2.841 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772712369 LGDUAKPDONZEGX-IERDGZPVSA-N 366.417 2.620 0 50 FFAA CN(Cc1cccnc1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 11937081 ZPBXVHIPGQJIHA-UHFFFAOYSA-N 359.792 2.786 0 50 FFAA O=C(N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)c1cccs1 11945698 DXQCOIGMYHYFNH-OAHLLOKOSA-N 372.494 2.554 0 50 FFAA CCCCN(C)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C)C1=O 12165548 WUVCTWZFSPZNJU-GOSISDBHSA-N 350.846 2.615 0 50 FFAA Cc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCCC1 13632092 NKYZQWONUHSFSO-UHFFFAOYSA-N 370.474 2.982 0 50 FFAA Cn1c2c(cc(-c3ccccc3Cl)c1=O)CN(C(=O)[C@H]1CCOC1)CC2 14536790 HKSKFFBNCWHJQX-ZDUSSCGKSA-N 372.852 2.627 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NCCc2cn[nH]c2)Cc2ccccc2C1 15065149 RJLCRAPQBSGTDD-UHFFFAOYSA-N 374.488 2.738 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOc4ccc(F)cc4C3)nn(C)c21 1857529258 DBXWFIGCBHHQBN-NEPJUHHUSA-N 359.401 2.616 0 50 FFAA O=C1CCOC2(CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)CN1 1857728188 QZNHTNHAWCAWBJ-UHFFFAOYSA-N 370.405 2.583 0 50 FFAA CC1(C(=O)NC[C@H]2[C@H]3CN(Cc4ccncc4)C[C@]34CC[C@H]2O4)CCCC1 1857740262 KXVAVVGHGBLAEJ-JZJXAQOMSA-N 369.509 2.758 0 50 FFAA Cc1c(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)cnn1C 216679188 RNQJWVIOZNBPMQ-APWZRJJASA-N 372.538 2.846 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1C(=O)O 237318344 PKWSVAODHWVNAX-SFHVURJKSA-N 368.433 2.674 0 50 FFAA COc1cc(-c2noc(C[C@H]3CCCCNC3=O)n2)ccc1OC(C)C 377439225 YUHXDQWEVZJCRK-CQSZACIVSA-N 359.426 2.991 0 50 FFAA CC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100053603 VDIZIYFCLMTVGZ-NVXWUHKLSA-N 367.792 2.663 0 50 FFAA COc1ccc(-c2nnn(CC(=O)Nc3ccccc3SC)n2)cc1 1120413 MYRCDRSBZJDLSB-UHFFFAOYSA-N 355.423 2.709 0 50 FFAA O=C(NCc1ccc(-c2cc[nH]n2)cc1)N1CCC[C@@H](n2ccnc2)C1 2325718444 OAXYQQVLASZQDZ-QGZVFWFLSA-N 350.426 2.820 0 50 FFAA C[C@H]1CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c2ccccc21 2325730278 AZPNKYRBWAPOMD-MAUKXSAKSA-N 352.434 2.812 0 50 FFAA COc1cc(C)c2cc(C(=O)N[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)oc2c1 2325786200 PWTUGCHLOJVECG-KBRIMQKVSA-N 369.421 2.516 0 50 FFAA O=S1(=O)CC[C@@H]2CN(C3=Nc4ccccc4Oc4ccccc43)CCN21 2325805081 NUISPNYJMFALQF-CQSZACIVSA-N 369.446 2.590 0 50 FFAA CC1(C)CNC[C@@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 2325854707 QXOCRPDPNRUCIF-JTQLQIEISA-N 365.275 2.691 0 50 FFAA O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1Cc2nccn2C1 2325859919 PPUWDQDQMJKYOD-AWEZNQCLSA-N 352.369 2.698 0 50 FFAA C[C@@H](CCNC(=O)c1ccc2cccnc2c1)N(C)C(=O)c1cocn1 2325871211 BVKJKZCFDUNVNH-ZDUSSCGKSA-N 352.394 2.503 0 50 FFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(F)(F)F 100099705 XOCJJQKBMZIPPL-TXEJJXNPSA-N 366.339 2.985 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C)c1 248004448 UZHGBZCWIVBBQN-TZUPDSNESA-N 370.449 2.985 0 50 FFAA Cc1ccc(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)cc1F 67955634 JTNRROPIECVVKV-UHFFFAOYSA-N 357.385 2.637 0 50 FFAA CCn1c([C@@H]2CCCN(C(=O)CC(C)(C)c3ccccc3)C2)nn(C)c1=O 67696932 WYNXXMREYLDRAT-MRXNPFEDSA-N 370.497 2.676 0 50 FFAA COc1cc(-c2noc(CS(=O)(=O)C[C@@H]3CCCCO3)n2)ccc1C 137133339 NPPUHBQJMCCLOV-AWEZNQCLSA-N 366.439 2.538 0 50 FFAA Cc1cc(CNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)ccn1 67849944 WYAIWGFVBXFTHZ-OAQYLSRUSA-N 359.514 2.804 0 50 FFAA CC[C@H](C)C(=O)N1CCc2c(c(C(=O)O)nn2Cc2cccc(OC)c2)C1 67692555 GPOFUFXBEFIXLT-ZDUSSCGKSA-N 371.437 2.569 0 50 FFAA O=C(O)c1cccc(C[C@@H]2CCN(Cc3ccc(OCCO)cc3)C2)c1 72162861 DRWDXODYNYVVBQ-SFHVURJKSA-N 355.434 2.821 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(N3CCC4(CC3)CNC(=O)O4)n2n1 72447392 OFVSIWOVSHDBTR-UHFFFAOYSA-N 363.421 2.784 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2cccc([C@@H]3CCCNC3)c2)CC1 216410371 SOKQJHBGFUVPAC-LJQANCHMSA-N 352.482 2.869 0 50 FFAA Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)COc2ccc(C(N)=O)cc2)C1 121741097 KMXSILCTMJJFDC-DOTOQJQBSA-N 352.434 2.877 0 50 FFAA O=C(O)[C@@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1Cl 4040248 KKPGVOCNDFEBEZ-CYBMUJFWSA-N 374.245 2.968 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@@H](O)c2cccc(Cl)c2)CC1 77437860 CKBBCPSTNUXMLG-SFHVURJKSA-N 364.873 2.625 0 50 FFAA C[C@H](CN[C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCOCC1 253370484 RILYPQQOZRLSNA-BRWVUGGUSA-N 355.523 2.523 0 50 FFAA CNC(=O)c1ccn([C@H]2CCCN(C[C@H]3CCc4ccccc4C3)C2)n1 328653187 WUHFSHNHTQSQMI-LPHOPBHVSA-N 352.482 2.685 0 50 FFAA Cc1nsc(N2CCCN(C(=O)[C@@H]3CCCN3c3ccccc3)CC2)n1 329893618 JOKFQEMZILNWBJ-KRWDZBQOSA-N 371.510 2.554 0 50 FFAA O=c1cc(N2CCc3ccccc3C2)cnn1CC[C@@H](O)c1ccccc1 72161604 SPCIIYBVFBRREX-OAQYLSRUSA-N 361.445 2.930 0 50 FFAA Cn1cc(C[C@H]2CCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)C2)cn1 363588612 HLBXIQMQAQPMQT-CQSZACIVSA-N 367.453 2.865 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2)cc(-n2cnc(C)c2C)n1 72115837 RNMWMPQDGSFHPW-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)CCc3ccncc3)cn2)c1 72476150 VLRSQYWINVIYFN-UHFFFAOYSA-N 350.422 2.867 0 50 FFAA CS(=O)(=O)c1cnc(NC2CCCCCCC2)nc1[C@H]1CCCNC1 72408354 MLZDPMAFWLCLPY-AWEZNQCLSA-N 366.531 2.872 0 50 FFAA Cc1nc(COc2ccc(/C=C/C(=O)N3CCC[C@H](N)C3)cc2)cs1 157689664 ZMXQBVAYXVDGLC-FSNWXROXSA-N 357.479 2.993 0 50 FFAA C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CN1Cc1ccccc1 128127325 DZKPHWPOVVHORP-CRAIPNDOSA-N 372.490 2.563 0 50 FFAA Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc4c(nc3O)CCCC4)C2)n1 376494268 DLVXTSCOHUYJSL-INIZCTEOSA-N 354.454 2.957 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CCC(=O)N1CCCC1 77385623 YJLFGZGSHLNCMG-HNNXBMFYSA-N 355.438 2.971 0 50 FFAA O=C(c1cc(=O)nc2sccn12)N1CCC2(C=Cc3ccccc32)CC1 215136090 QOSZRYQBDFSPRM-UHFFFAOYSA-N 363.442 2.957 0 50 FFAA COc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1O 72157218 LANOLISOIGLTCF-OAHLLOKOSA-N 358.413 2.934 0 50 FFAA Cc1nc2c(c(NC[C@@H]3CCCN(C)[C@H]3c3ccnn3C)n1)CCCC2 285046543 WJROMHOVMYKQAZ-HNAYVOBHSA-N 354.502 2.892 0 50 FFAA O=C(NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1)[C@H]1Cc2ccccc2O1 14991386 FQJXFPIWJNBTQA-PKOBYXMFSA-N 354.381 2.633 0 50 FFAA CC(=O)N1CC2(CCN(c3cc(C)nc4ccccc34)CC2)C[C@@H]1C(=O)O 82109662 DJRIKJIBFHCKBC-LJQANCHMSA-N 367.449 2.835 0 50 FFAA Cc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)o1 177171594 JOYICPSTTWTRML-UHFFFAOYSA-N 355.272 2.893 0 50 FFAA Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)n1 20602542 ZGZGPKLRIJOMTL-UHFFFAOYSA-N 355.463 2.854 0 50 FFAA Cc1nccn1CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82120409 QVZDFIKAVRTBLU-LJQANCHMSA-N 363.465 2.843 0 50 FFAA CC(C)c1cc(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)on1 220199625 JQJRGFVVKKBFFN-LJQANCHMSA-N 366.421 2.732 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 426503460 HCGIXCRQIPUGGG-LJQANCHMSA-N 363.465 2.712 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)NCc2cn3c(n2)SCC3)n1 426698145 BJHTYUBZSPJGKN-LBPRGKRZSA-N 362.459 2.542 0 50 FFAA CCc1noc(CN(CC)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)n1 96137532 ARIWQGZKNFXXTR-UHFFFAOYSA-N 361.402 2.653 0 50 FFAA CCOc1ccccc1[C@@H](C(=O)O)N1CCC(N2CCSCC2)CC1 95386363 UYTFINSXBAHEFM-SFHVURJKSA-N 364.511 2.724 0 50 FFAA COc1ccc2[nH]c(CCN(C)Cc3cnc(N4CCCC4)nc3)nc2c1 97775996 ZTJAJXWOHRKDOE-UHFFFAOYSA-N 366.469 2.636 0 50 FFAA Cc1ccnc([C@@H](NC(=O)c2ccc3c(c2)ncn3CCO)C2CC2)c1 97635019 GLHGPPWBKRCKRU-IBGZPJMESA-N 350.422 2.613 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NC3(C(=O)O)CCCC3)CC2=O)cc1 95529149 JOQRFHZTEGGVOD-HNNXBMFYSA-N 358.438 2.677 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 92080982 UMPLPFVAVJVOLP-IAGOWNOFSA-N 367.497 2.918 0 50 FFAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1c[nH]nc1C1CCCCC1 91325666 QVWGLEIYASDDAW-HNNXBMFYSA-N 368.485 2.894 0 50 FFAA COCCn1cnnc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 91585736 SWSDAUHECSCSAT-UHFFFAOYSA-N 360.801 2.768 0 50 FFAA CN1CCC(n2nc(-c3ccco3)nc2CN(C)Cc2ccccn2)CC1 96153083 MQOGJTZPOSKFAX-UHFFFAOYSA-N 366.469 2.832 0 50 FFAA C[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)n1cc(Cl)cn1 91792892 XAYWRTXFDWKLGQ-GFCCVEGCSA-N 373.844 2.523 0 50 FFAA CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(C(=O)O)s1 236904743 XJSGYXICFUCRAY-UHFFFAOYSA-N 368.361 2.825 0 50 FFAA COCCOC1CCN([C@H](C(=O)O)c2cc(C)c(OC)c(C)c2)CC1 95356777 RNNZLARWKYLKDO-KRWDZBQOSA-N 351.443 2.565 0 50 FFAA CCCn1nc(Cc2cccs2)nc1-c1cnn2cc(CCO)cnc12 96141470 BJPITBYIKKPANW-UHFFFAOYSA-N 368.466 2.585 0 50 FFAA CN(Cc1ccsc1)C(=O)c1cnc(COc2ccccc2)[nH]c1=O 91643337 XAPQZKQJZJSHCM-UHFFFAOYSA-N 355.419 2.683 0 50 FFAA CCOc1ccc(S(=O)(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 181326552 XPVMBHIUPUZGPT-NSHDSACASA-N 352.387 2.596 0 50 FFAA Cc1cc([C@@H]2CCCN2CCN2CCN(Cc3ccccc3)CC2)on1 244723760 MGUKRVHEVZXTBM-FQEVSTJZSA-N 354.498 2.938 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(-c4cncc(O)n4)cc3)C2)n1 534589091 GGELQXPJYDKFHZ-KRWDZBQOSA-N 363.421 2.750 0 50 FFAA Cc1cc(CN2CCn3nc(CNc4cnccn4)cc3C2)ccc1F 299767548 HJRGYWDHPMJPSJ-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA COCc1nc([C@@H]2CCOC2)cc(N2CCC(c3n[nH]cc3C)CC2)n1 299787761 YLFCIHKGOUDFKS-OAHLLOKOSA-N 357.458 2.542 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 299784005 YJGMPQPAWAMSGB-ZDUSSCGKSA-N 360.845 2.534 0 50 FFAA Cc1cccc(F)c1C(=O)NCC1CCN(C(=O)Cc2cccnc2)CC1 827910241 JEVNPWJUQWGDOK-UHFFFAOYSA-N 369.440 2.740 0 50 FFAA Cc1sc2ncn(CCc3ncnn3C)c(=O)c2c1-c1ccc(F)cc1 826594180 RDAUFXXNGOGXHC-UHFFFAOYSA-N 369.425 2.944 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(Cn2cccn2)o1 828164151 MWDITXYNJKTYOG-OAHLLOKOSA-N 370.478 2.980 0 50 FFAA COc1ncnc(C)c1-c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 584900152 VJFPICTVRGJWNR-ZWKOTPCHSA-N 366.465 2.769 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1N=c1cc[nH]cc1F 1875398467 RHOVQHFEDHUDLP-NIKGAXFTSA-N 352.413 2.758 0 50 FFAA O=C(c1cccnc1)N1CCC(NCc2ccccc2-n2ccnc2)CC1 952984261 ZFHIOLHSNAAJAH-UHFFFAOYSA-N 361.449 2.662 0 50 FFAA CC1(C(=O)NC[C@H]2C[C@@]3(CCN(c4nc5ccccc5o4)C3)CO2)CC1 1875405195 ZLZWQECDSUXEPL-JLTOFOAXSA-N 355.438 2.730 0 50 FFAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)cc1Cl 952977330 QCNRLORNRAPQJC-CQSZACIVSA-N 372.856 2.788 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)CN(C)Cc3ccc(F)cc3)cc2N(C)C1=O 952977073 AOQUEWGAGMFRJR-CYBMUJFWSA-N 371.412 2.640 0 50 FFAA CCN1C(=O)C[C@@H](CNCc2cccc3cc[nH]c23)[C@@H]1c1nccn1C 886055071 OMEDXDWRJRJEGL-QFBILLFUSA-N 351.454 2.601 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@H]1CCCN1Cc1ccccc1)Cc1ccccc1 271888413 BOWUHGKUVUOJLF-VQTJNVASSA-N 366.461 2.711 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1nccn1CC(F)(F)F 275436077 FOLCKRWXWSVPMQ-SWLSCSKDSA-N 357.380 2.529 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)C[C@@H]2CCCCO2)cc1 170643896 ITTXUFQABSPMCG-FHWLQOOXSA-N 367.511 2.951 0 50 FFAA C[C@@H](O)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1 171764620 XLTVUDUIYPXDGP-UZLBHIALSA-N 366.461 2.909 0 50 FFAA CN(CC1(CO)CC1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 187209043 CDWLTPFLZWAONM-CQSZACIVSA-N 351.878 2.723 0 50 FFAA CC[C@@]1(C)CN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CCO1 187936022 OKWOIFOTUZZBCR-FQEVSTJZSA-N 362.470 2.946 0 50 FFAA CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 188486773 FKRLOMBJDZWIFT-UHFFFAOYSA-N 350.846 2.868 0 50 FFAA CCCOc1nc(C)ccc1C(=O)N1CCCN(c2ccc(C)nn2)CC1 191308671 VXRUBJUCZSSBNQ-UHFFFAOYSA-N 369.469 2.630 0 50 FFAA Cc1ccsc1[C@H](CNC1CCN(C(=O)c2cccnc2)CC1)N(C)C 1506408756 PPFJIVHMXAARDY-SFHVURJKSA-N 372.538 2.949 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C1CCN(C(=O)c2cccnc2)CC1 1506407079 IMPLBNDILKZEIE-UHFFFAOYSA-N 367.497 2.810 0 50 FFAA O=C(N1C[C@@H](O)[C@H](Cc2ccncc2)C1)C1(N2CCCCC2)CCCCC1 1529180216 DJWMSFJMNLJAQN-WOJBJXKFSA-N 371.525 2.632 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)c1nc2cc(C(=O)O)ccc2n1C 1529117925 FASSHXALUNTSBH-KRWDZBQOSA-N 364.449 2.764 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)C[C@H]3CCCCN3C)CC1)OCC2 1704302141 FDURBMNXIXDXLW-GOSISDBHSA-N 372.509 2.960 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccccc3OCC(=O)O)C1)CC2 1704312454 BXSLQZUYQLWOCV-NRFANRHFSA-N 367.449 2.728 0 50 FFAA NC(=O)c1csc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 210089576 YVKVLJYRLZZMCW-WBVHZDCISA-N 353.447 2.750 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)N3C[C@H](C)[C@@](O)(C4CC4)C3)n2)c1 216369215 CXKFMRZZVFQXIJ-YCRPNKLZSA-N 369.465 2.987 0 50 FFAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(c3ncnc4ccsc34)CC2)C1 1772808771 AUYBZONOKZHPCQ-OAHLLOKOSA-N 373.482 2.531 0 50 FFAA CC(C)CC(=O)N1C[C@@H]2CN(CC(=O)O)C[C@]2(CCc2ccccc2)C1 1772707729 VOCGJYFXQZAKPK-GHTZIAJQSA-N 358.482 2.510 0 50 FFAA O=C(c1ccncc1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 14965738 AIDIAKNVMVZQMU-NRFANRHFSA-N 367.424 2.876 0 50 FFAA O=C(Cc1ccsc1)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857720848 NHAVRIBEDZKRAY-JRBPQWBISA-N 360.523 2.829 0 50 FFAA COc1ccc2c(C)cc(N3CCN4[C@@H](C5CC5)COC[C@H]4C3)nc2c1 1857728994 IRZMLPRPQQEMQL-OXQOHEQNSA-N 353.466 2.851 0 50 FFAA Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)nc1 120386652 DLIUOQQGVDKRRP-UHFFFAOYSA-N 358.873 2.800 0 50 FFAA Cc1cnn(C[C@@H]2CN(Cc3cnn(-c4ccc(Cl)cc4)c3)CCO2)c1 122372997 TWAKKDBTRKYKHD-IBGZPJMESA-N 371.872 2.932 0 50 FFAA COc1ccc(CN2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)c(OC)c1C 247933202 CVGZEGVWGSLBLD-SJORKVTESA-N 356.422 2.707 0 50 FFAA CC(C)CCc1cc(NC(=O)NCCC(=O)NCc2ccccc2)n(C)n1 252486840 HPHFWZKWLJRPET-UHFFFAOYSA-N 371.485 2.837 0 50 FFAA CC(C)c1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)no1 266362478 HHKWKOBXVBYFNS-UHFFFAOYSA-N 360.389 2.927 0 50 FFAA CC(C)NC(=O)CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330217 FZPNJWSDYDLPNF-QFIPXVFZSA-N 364.493 2.948 0 50 FFAA O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N[C@H]1C[C@@H](Cn2ccnc2)C1 2325798903 IORFKLQTBRJXRH-LBJDCFHOSA-N 351.406 2.776 0 50 FFAA Cc1cc(-c2nn[nH]n2)ccc1CN1C[C@@H](N2CCCC2)C[C@@H]1C(C)C 2325826191 SSGCKPCJUYCKEX-RBUKOAKNSA-N 354.502 2.870 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 2325888563 FGYGDGMMIQUQGY-CZUORRHYSA-N 360.429 2.969 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1C 12320249 BXYPXZOTQYGQPW-KRWDZBQOSA-N 353.422 2.809 0 50 FFAA Cc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C 2592951 RGXHGAXRKUTNDL-UHFFFAOYSA-N 369.417 2.533 0 50 FFAA aggregator Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc4nccnc34)C1)CC2 2356143615 POWHAXYAOAFIQE-NRFANRHFSA-N 359.433 2.848 0 50 FFAA O=C(NCc1ccccc1)C(=O)Nc1c(F)cc(F)cc1Br 4855119 MZMXVCONMVYFRL-UHFFFAOYSA-N 369.165 2.982 0 50 FFAA CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C[C@H](C)O1 111013691 UISCAOKXNYELDB-VUCTXSBTSA-N 352.862 2.933 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 10302271 SXQSYQICXBFKOI-SNVBAGLBSA-N 365.282 2.994 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cc1 104405690 PYVSUPBFQUAICM-HXUWFJFHSA-N 371.481 2.615 0 50 FFAA CCS(=O)(=O)c1ncc(CN2C[C@H]3CC[C@H]2C3)n1CCc1ccccc1 102501567 WMLAXJBXEYFECW-ROUUACIJSA-N 373.522 2.904 0 50 FFAA COc1c(C)cnc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c1C 106987845 FUKYUFLZYRMYBH-GOSISDBHSA-N 373.497 2.677 0 50 FFAA O=C(CN1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Br)cc1 135539631 YWWHZSKKCNIJRC-UONOGXRCSA-N 371.300 2.594 0 50 FFAA O=C(NCCn1ccc2ccc(F)cc21)[C@H]1CCCN(c2ncccn2)C1 170625275 WFUWEUQGNZQPRZ-INIZCTEOSA-N 367.428 2.603 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)Cc2cc[nH]n2)co1 67714256 ILUKCSHYUGXERV-UHFFFAOYSA-N 356.382 2.566 0 50 FFAA OC1(c2ccc(Cl)cc2)CCN(Cc2nc(-c3cnccn3)no2)CC1 12298388 RICIHMQSGBEINB-UHFFFAOYSA-N 371.828 2.664 0 50 FFAA CCn1c(CCNC(=O)N2CCC(c3ccn[nH]3)CC2)nc2ccccc21 172570139 GYDAVNVLQNQUHY-UHFFFAOYSA-N 366.469 2.911 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N[C@@H](C)c1ccc(F)cc1 229620576 KUCDWMBZYORNKV-IKICRFKJSA-N 362.445 2.809 0 50 FFAA COc1cc(OC)cc(C(=O)N2CC[C@@H](c3cccc(OC)c3)[C@H](O)C2)c1 65409351 LJYUDASLXDAJBQ-VQTJNVASSA-N 371.433 2.703 0 50 FFAA Cc1ncc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1 72468540 IOKMSOCGBVIWQK-UHFFFAOYSA-N 365.355 2.928 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cnc(Nc2ccccc2)nc1 77519625 JXNASYASPQXNAH-QGZVFWFLSA-N 367.453 2.693 0 50 FFAA Cc1ccc(/C=C/S(=O)(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)cc1 328627576 MYBUJLQRRYGRSG-IDNNPUCFSA-N 361.467 2.539 0 50 FFAA Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCN(C(=O)N(C)C)C3)CC2)cc1 77342254 WVZBNBKYXNLBQV-QGZVFWFLSA-N 373.497 2.758 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(C(=O)c3ccoc3)CC2)cn1 328632279 LHKCGFYYNJIAJS-RBUKOAKNSA-N 372.469 2.611 0 50 FFAA CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O 434234682 RMLPAJPMFVMVBJ-UHFFFAOYSA-N 358.785 2.822 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3c(C)[nH]c(C)cc3=O)CC2)cc1 77487380 LXGGOXJDGQDFLC-UHFFFAOYSA-N 356.422 2.684 0 50 FFAA CC(=O)N[C@H](CC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1 363224460 ZCZRIXITOCTFOM-LJQANCHMSA-N 362.433 2.756 0 50 FFAA Cc1noc(C2CC2)c1NC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 155061510 YIZHLSSATLIMFF-OAHLLOKOSA-N 354.410 2.956 0 50 FFAA Cn1c(=O)oc2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cccc21 155064412 XAZQQNMHIQUCQP-UHFFFAOYSA-N 365.433 2.526 0 50 FFAA CC(C)n1ncc2c1[C@H](NC(=O)c1cnc(OCC3CC3)cn1)CCC2 366952006 NHBXDLILFLBPHQ-OAHLLOKOSA-N 355.442 2.850 0 50 FFAA O=C(NCc1nnc(-c2ccncc2F)s1)c1c(F)ccc(O)c1F 368136680 WECXPTOJYSKENK-UHFFFAOYSA-N 366.324 2.653 0 50 FFAA CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)CC1CCOCC1 173004436 LFJHAWIDECLYJW-UHFFFAOYSA-N 367.389 2.773 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC[C@H]1CCn1cccn1 77355862 DAYIJOHGDYRVGN-INIZCTEOSA-N 354.454 2.535 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)CCC1=O 77540564 APUIMFNMVBKBCU-HXUWFJFHSA-N 372.469 2.521 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@@]2(CC1)CN(C)C(=O)O2 72135453 VNALEWGAVODQGU-LJQANCHMSA-N 362.474 2.548 0 50 FFAA Cc1ccnn1CC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 72462513 KOXKZLGZNYMJJA-ZWKOTPCHSA-N 366.465 2.604 0 50 FFAA Cc1cc(C)cc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)c1 72457680 YNVDRZJZUUMSAI-IBGZPJMESA-N 370.493 2.981 0 50 FFAA O=C(Cc1c(F)ccc(Cl)c1F)N1CCC(N2CCC(O)CC2)CC1 72146275 HBOFBLOLRKDVFQ-UHFFFAOYSA-N 372.843 2.608 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77379712 PUTVRKPYRGONAY-GOSISDBHSA-N 364.515 2.737 0 50 FFAA FC1(F)Oc2ccc(-n3ccnc3-c3cc4n(n3)CCCNC4)cc2O1 72463534 ILUSXEPVCTZTPR-UHFFFAOYSA-N 359.336 2.551 0 50 FFAA CCCn1c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc2ccccc21 263069195 YBHNLAXRCITGBS-INIZCTEOSA-N 358.438 2.909 0 50 FFAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC[C@H]1c1cccn1C 239297248 DUJOCSPSKVHRDE-KSSFIOAISA-N 352.438 2.536 0 50 FFAA O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)[C@H]1C[C@H](O)CN1 238096612 VGSGLPDTZVNQPO-SUMWQHHRSA-N 365.260 2.999 0 50 FFAA Cc1nc(C2CC(N)C2)cc(N(C)CCc2nc3cc(F)ccc3[nH]2)n1 222944460 HIZMSZOHJJXBBS-UHFFFAOYSA-N 354.433 2.684 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cc(F)ccc1F 241884807 SXYJMCNAUXWSFM-XZJROXQQSA-N 352.381 2.709 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN(CC(F)(F)F)CC1 43573348 VRLWNYLVPYDEOB-UHFFFAOYSA-N 370.375 2.525 0 50 FFAA O=C(O)C[C@@H]1COCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12 263341417 XQDQNOYUSQRIHG-CYBMUJFWSA-N 358.369 2.567 0 50 FFAA COc1cccc(N2CCN(Cc3cccc(OC)c3OC)CC2=O)c1 82091833 BAKLSBUFYVMBRR-UHFFFAOYSA-N 356.422 2.561 0 50 FFAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 178134002 RJUADQBVNDSLMR-GFCCVEGCSA-N 368.437 2.527 0 50 FFAA CN1C[C@@]2(CCN(C(=O)c3ccc(-c4cc(F)ccc4O)cc3)C2)OC1=O 426546037 ANUFAHJDQHXMAX-HXUWFJFHSA-N 370.380 2.865 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCNC3)c(-c2ccccc2)o1 82091700 YSCRGUMBXIRMGZ-UHFFFAOYSA-N 350.422 2.875 0 50 FFAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 223917926 NITHEXLNSVOESW-CQSZACIVSA-N 359.401 2.532 0 50 FFAA O=C(NC[C@]1(O)CCCNC1)c1ccc(-c2ccc(Cl)cc2F)cc1 426545182 SJVCRJPDUGSAAH-IBGZPJMESA-N 362.832 2.990 0 50 FFAA OCCC[C@@H]1CN(c2ncc(Cl)cc2Cl)CC[C@@H]1N1CCOCC1 91637048 CERGXQMHEPLYIT-CJNGLKHVSA-N 374.312 2.688 0 50 FFAA CCCNS(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccon2)cc1 96132084 UXTADJCIPRJWOP-LBPRGKRZSA-N 366.443 2.588 0 50 FFAA CCc1nc(C[C@@H]2C=CS(=O)(=O)C2)n(-c2ccc3nc(C)sc3c2)n1 96166583 VUFFERXDAVZJAC-LBPRGKRZSA-N 374.491 2.849 0 50 FFAA O=C(CCN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1)Nc1cccnc1 95361376 SDOXPFYJWRODRX-NRFANRHFSA-N 370.497 2.525 0 50 FFAA O=C1Cc2cc(NC(=O)N3CCC(CCn4cccn4)CC3)ccc2N1 96141726 LBYDQDGWLHTMDR-UHFFFAOYSA-N 353.426 2.712 0 50 FFAA Cn1c(=O)c(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc2ccccc21 97674119 OIRSUWZRLQHHBB-QGZVFWFLSA-N 352.438 2.580 0 50 FFAA Cc1nc(CC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cs1 96131988 OSLSDNAJIPHXFC-UHFFFAOYSA-N 364.515 2.617 0 50 FFAA C[C@H](C(=O)Oc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239425640 UXMMFRICWNOZIQ-MLUCZEEGSA-N 371.820 2.687 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)c1ccc([C@H]2CCCNC2)cc1 95355661 FETJGAUZANORPY-NRFANRHFSA-N 363.505 2.942 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NC[C@@H](CO)Cc1cccs1 95531436 ALYAZXMRJJRHBG-KRWDZBQOSA-N 372.534 2.895 0 50 FFAA C=Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 91695123 ZPTNASGSVMSSJR-UHFFFAOYSA-N 369.509 2.736 0 50 FFAA O=C(Nc1ccc(C(=O)NCCc2ccccc2)cc1)N[C@H]1CCOC1 95517721 GQTFQIYKWMRQEZ-SFHVURJKSA-N 353.422 2.570 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 97546632 VGWSUZKDQSNPKV-PMACEKPBSA-N 354.498 2.520 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)OCCO2 243901496 BBYRDNNVMKRFAZ-BZSNNMDCSA-N 353.418 2.570 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2cccc3[nH]ncc23)CC1 299784869 IGCFVTKVEUSRFL-INIZCTEOSA-N 370.501 2.587 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(C4CCOCC4)C3)c2)n[nH]1 827733231 QDVGGMIDGRLTQI-MRXNPFEDSA-N 369.469 2.610 0 50 FFAA Clc1ccccc1-n1cc(NCc2cn(C[C@H]3CCOC3)nn2)cn1 865518464 QTTROARYADCQIT-CYBMUJFWSA-N 358.833 2.766 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)COc2c(C)cccc2C)C3)o1 952851884 YGNZGNVNCXPXDD-JXFKEZNVSA-N 355.438 2.954 0 50 FFAA Cc1cn(C2CCOCC2)nc1C(=O)N1CCOc2ccc(F)cc2C1 1875269535 FOGDWPJSSYRMQT-UHFFFAOYSA-N 359.401 2.717 0 50 FFAA COC12CC(C1)N(C(=O)c1nc(-c3ccccc3)n(-c3ccccc3)n1)C2 1875318578 UQJDBMUFFPVPPA-UHFFFAOYSA-N 360.417 2.938 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12 952868050 XGAULYBNROFFPF-UHFFFAOYSA-N 352.394 2.771 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccnn2C2CCCC2)C3)n1 888098201 HFQFLUPJJSLFOO-LIRRHRJNSA-N 355.442 2.884 0 50 FFAA COc1ccc(-c2noc(C3CCN(C(=O)N4CCCC4)CC3)n2)cn1 109590739 CCIYBRAMZGUPKU-UHFFFAOYSA-N 357.414 2.535 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 186917797 BMLUOHUXJOVOSV-CQSZACIVSA-N 366.425 2.604 0 50 FFAA CN(C(=O)Cc1cnc2ccccc2c1)c1ccc(N2CCOCC2)nc1 190708506 ZVCBELVQROPSLA-UHFFFAOYSA-N 362.433 2.672 0 50 FFAA CSc1ccc2c(C)cc(N3CCC(=O)N(CCN(C)C)CC3)nc2c1 1704355556 QTXROTZYIZXQGR-UHFFFAOYSA-N 372.538 2.865 0 50 FFAA CC(C)c1cccc(C(=O)N2CCCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 1772704091 IKYSGMZCUJTOTG-SFHVURJKSA-N 371.525 2.969 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CCC(c2ccnc(O)c2)CC1 1772815200 ZJTLSRHGRABHKS-UHFFFAOYSA-N 351.450 2.552 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCc1cnc[nH]1)C2 1772812465 LVLSSSCTOOQQTE-GFCCVEGCSA-N 371.466 2.602 0 50 FFAA Cc1ccc(CN(C)C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 12470279 IVRQPMQDQOZICP-HXUWFJFHSA-N 360.429 2.713 0 50 FFAA CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OC 13678601 IKFMLEQKWVUUHX-UHFFFAOYSA-N 368.842 2.899 0 50 FFAA CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 13881307 KZXNLBMULHUHFT-NTEUORMPSA-N 365.407 2.693 0 50 FFAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NC(C)C 18121856 AJKMXTJQMDHMPM-UHFFFAOYSA-N 357.435 2.585 0 50 FFAA COCCc1ncc(CN[C@@H]2CCCN(CCCc3ccccc3)C2)cn1 19790979 WMGCDLZTMHCMBM-OAQYLSRUSA-N 368.525 2.852 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2O1)Nc1nnc(C(F)(F)F)s1 19792571 MGLVKBMQWBQFIP-SSDOTTSWSA-N 360.317 2.518 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2 1857527985 PXBDDWOCANUWNP-QMIHWGKISA-N 353.470 2.634 0 50 FFAA Cc1nn(CCO)c(C)c1-n1ccnc1[C@@H](C)Cc1ccc2c(c1)OCO2 1857690342 HPQCCLPGSJXGGP-ZDUSSCGKSA-N 368.437 2.753 0 50 FFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCn2nccc2C1 1857695391 HXQZCNCCAXVLAL-ZDUSSCGKSA-N 371.828 2.508 0 50 FFAA CC(C)c1cc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)no1 1857734240 GFNAZHIHDSXXDX-OALUTQOASA-N 357.454 2.942 0 50 FFAA CCCN1C[C@H](n2ccnc2-c2cc3c(cc2OC)OCCO3)CC1=O 1857708837 PRKMVVZIZWSVAA-CYBMUJFWSA-N 357.410 2.513 0 50 FFAA COc1cc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)ccc1OCC=C(C)C 1857728433 BCGGZAQVVQIQEH-CTNGQTDRSA-N 372.465 2.573 0 50 FFAA O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl 329561459 JGPGJRCDDAIHJG-UKRRQHHQSA-N 369.820 2.845 0 50 FFAA CCOc1ccncc1S(=O)(=O)N(C)[C@H]1C[C@H](OCC)C12CCCC2 253428383 JKNQCFAPYCIMDW-IRXDYDNUSA-N 368.499 2.839 0 50 FFAA C[C@@H](N[C@H](C)c1cn(C)nn1)c1ccc(NC(=O)c2ccncc2)cc1 902802805 CJBQCPZDLBPVIG-ZIAGYGMSSA-N 350.426 2.874 0 50 FFAA CC1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 704904 QNIDXHBXCFZRMF-CQSZACIVSA-N 351.244 2.813 0 50 FFAA Cc1cc(CN2CCC[C@](C)(CNC(=O)c3nccc4[nH]ccc34)C2)on1 2325812068 BSZJTPKMUMKHEZ-HXUWFJFHSA-N 367.453 2.891 0 50 FFAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2CCc1ccccc1 2356148032 DHADGSLTRLUANV-ONTIZHBOSA-N 356.510 2.990 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(-c4cnco4)cc3)C[C@H]2CC1=O 2356149306 UEWBPGHQZOGKMZ-BBWFWOEESA-N 353.422 2.671 0 50 FFAA CCCCc1nc(CN2CC[C@@H](O)[C@](CCC)(C(=O)O)C2)c(Cl)[nH]1 2356154347 RPQQMVLAXUGEDO-CXAGYDPISA-N 357.882 2.843 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3ccc4ccccn34)C1)CC2 2356154626 CLPFSCXDSAHQFX-OAQYLSRUSA-N 362.433 2.864 0 50 FFAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 4122206 SJIJHXXOFMIEPM-VIFPVBQESA-N 350.724 2.593 0 50 FFAA CCOc1ccccc1N1CCN(CC(=O)NCCc2ccccc2)CC1 55060403 GHCYBIXQHDZYEO-UHFFFAOYSA-N 367.493 2.566 0 50 FFAA Cc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cs2)cc1 20394150 RWNQBQXZJRBSFH-SFHVURJKSA-N 371.506 2.942 0 50 FFAA Cc1nn(CC(=O)O)c2c1[C@H](c1[nH]c3c(C)cccc3c1C)CC(=O)N2 67805080 WOAKJKHZNYNUNJ-CYBMUJFWSA-N 352.394 2.848 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)cc1C 20995218 GUSUARIGRGOOOL-IBGZPJMESA-N 358.482 2.974 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)c1cnn(Cc2ccccc2)c1 65370142 HMLAPOBLYXUHPY-UHFFFAOYSA-N 359.389 2.911 0 50 FFAA NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCc2occc21 119600804 BQDGBFHTPDUKJT-IRXDYDNUSA-N 366.421 2.534 0 50 FFAA O=c1cc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc[nH]1 67790498 FAKCLADJIQZWNG-CQSZACIVSA-N 353.401 2.679 0 50 FFAA Cc1cccc(OCC(=O)NCc2ccccc2CN2CCCC2=O)c1 67621279 XLKFRFUMILGOGO-UHFFFAOYSA-N 352.434 2.813 0 50 FFAA CCN1CN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)CC1=O 252496474 PJFVXWRJHGFDJI-FQEVSTJZSA-N 371.868 2.667 0 50 FFAA O=C(c1ccsc1)N1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 282165609 NIFNZSVOVAAKMT-UHFFFAOYSA-N 369.368 2.760 0 50 FFAA CCNC(=O)C1(NC(=O)c2ccc(OCc3ccccn3)cc2)CCCC1 252507431 WLNIVNAARUFVME-UHFFFAOYSA-N 367.449 2.839 0 50 FFAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccccc1-n1cccc1 2790071 QRPUFEKQFCHZEL-UHFFFAOYSA-N 362.414 2.860 0 50 FFAA COc1ccc2[nH]c(CNC(=O)c3cc(=O)n(-c4ccccc4)[nH]3)cc2c1 215533412 OVOURHWGBZXOIZ-UHFFFAOYSA-N 362.389 2.586 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1C[C@@H]2CCCCN2c2ccccc21 329307493 PPZIXLCPJBHKLZ-HOTGVXAUSA-N 362.495 2.607 0 50 FFAA COc1ccc(CN2CCN(c3nc(-c4ccccc4)no3)CC2=O)cc1 77454948 ANUXOBGJMPVBNO-UHFFFAOYSA-N 364.405 2.594 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 72140402 GECNAMCCSKQZLW-MOPGFXCFSA-N 355.482 2.756 0 50 FFAA COc1ccccc1N1CCc2nc(N)c(C#N)c([C@H]3CCOC3)c2C1 72150102 BPCYQISZWDEKQO-ZDUSSCGKSA-N 350.422 2.611 0 50 FFAA CCCCOc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)cc1 241644620 PSFQIOVHGFIIGB-TZIWHRDSSA-N 373.541 2.946 0 50 FFAA O=C(NC[C@@H](O)c1ccccc1)C1(Oc2ccc(Cl)cc2)CCNCC1 77424872 VJAWJRHDOJPOGB-GOSISDBHSA-N 374.868 2.691 0 50 FFAA Cc1ncc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(C)n1 71747095 NVMFGSZRGZHDAR-NJDAHSKKSA-N 362.477 2.796 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 371465213 BCIHAZNALVDOHT-QGZVFWFLSA-N 354.385 2.683 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 13746213 PZFCBKFPCMAFPM-UHFFFAOYSA-N 371.412 2.962 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cc(C)nc(C)n3)CC2)OC1=O 77535047 AIYYKWMYPJXHDR-CQSZACIVSA-N 360.458 2.709 0 50 FFAA O=C(CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1)NCc1ccccn1 72143760 FMYQVRSURAEWSP-QGZVFWFLSA-N 353.401 2.550 0 50 FFAA COc1ccc([C@H]2OCC[C@@H]2NCc2ccc(-n3cncn3)c(C)c2)cn1 285009980 MHUJKWQGYMIMGS-FXAWDEMLSA-N 365.437 2.599 0 50 FFAA Cc1nc(CCCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 175034869 XHOWCRDUIMQRAB-UHFFFAOYSA-N 367.496 2.677 0 50 FFAA CCc1ncc(C(=O)N2CCC(Cn3cc(C4CCCC4)nn3)CC2)cn1 48393849 LSFFXEVDPWJMIZ-UHFFFAOYSA-N 368.485 2.841 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 136696953 QKYDIAVKOQRKIA-OKZBNKHCSA-N 367.836 2.876 0 50 FFAA COc1cc(CC(=O)N[C@H](c2nccn2C)C(C)C)cc(OC)c1OC 220445186 NMAOUKGVHVIVGN-KRWDZBQOSA-N 361.442 2.502 0 50 FFAA Cn1ncc2c(O)c(C(=O)N3CCCCC[C@H]3c3ccncc3)cnc21 179430664 IOCKRETZVGVRKE-INIZCTEOSA-N 351.410 2.826 0 50 FFAA O=C1CCC2(CCNCC2)CN1C[C@H](O)c1cccc(C(F)(F)F)c1 91679399 KLPCOKSTVVGQLP-HNNXBMFYSA-N 356.388 2.731 0 50 FFAA Cc1ncsc1CCN(C)C(=O)NCCc1nc2ccccc2n1C 426526311 VNJUNLWMCJAFOI-UHFFFAOYSA-N 357.483 2.765 0 50 FFAA COCCc1nc(-c2cccc(CN3CCCCCC3)c2)n(CC(=O)O)n1 96149543 FOHZJLGCNJXUOW-UHFFFAOYSA-N 372.469 2.595 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCc2ccc3nsnc3c2)C1(C)C 91908411 FDPQTYDOFWIQTM-ORAYPTAESA-N 374.510 2.838 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCN(C3CCCCC3)CC2)cc1OC 95390076 HSETXPUPDKKMRQ-LJQANCHMSA-N 362.470 2.780 0 50 FFAA COc1cc(CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C2CC2)ccc1O 97713605 YUYMPNBMUNKQSJ-UHFFFAOYSA-N 355.316 2.948 0 50 FFAA CCCn1cc(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)cn1 180822583 FUMWCVOODWRFGE-UHFFFAOYSA-N 370.497 2.944 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)COc1ccc(F)c(Cl)c1)CC2 91425414 SICSWEMPJCZTJK-UHFFFAOYSA-N 368.836 2.719 0 50 FFAA O=C(c1cc(-c2ccccc2O)n[nH]1)N(C/C=C/c1ccccc1)CCO 91621473 HYMAAYCZCPKNKE-RMKNXTFCSA-N 363.417 2.930 0 50 FFAA CC(=O)NC[C@@H]1CCC2(CCN(C(=O)Nc3c(C)cc(C)nc3C)CC2)O1 95528319 STWRBTVMEYMKLO-KRWDZBQOSA-N 374.485 2.688 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 95365762 SPRMJKNVYFRHPL-MRXNPFEDSA-N 363.469 2.851 0 50 FFAA Cc1ccnc([C@@H](NC(=O)c2coc(CN3CCOCC3)c2)C2CC2)c1 97619578 HHPCWTKUUGCSCB-IBGZPJMESA-N 355.438 2.696 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)COc2ccc(Cl)cc2C)on1 95387272 ZEBBDGSVYLCLTH-CJNGLKHVSA-N 364.829 2.698 0 50 FFAA CCN(CC1CCOCC1)C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O 91535014 AFCJRAYYKFCAKR-UHFFFAOYSA-N 355.438 2.634 0 50 FFAA CCCN1CCC(CC(=O)N[C@@H](C(=O)O)c2ccc(F)cc2F)CC1 95520767 JXWCGGBOBUZLHL-QGZVFWFLSA-N 354.397 2.719 0 50 FFAA Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 245227311 BIDMMKCOZVKTBE-LXSMPZMBSA-N 364.445 2.684 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN[C@H]3CC[C@H](O)CC3)C2=O)cc1 244872761 WDXNOJFQONEAKT-KCZVDYSFSA-N 374.525 2.557 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)CC1 183979827 ZOSOOJTZARIZQB-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 184050792 VWVSNNFPKWBMLB-ZDUSSCGKSA-N 359.445 2.865 0 50 FFAA CC[C@H](CNC(=O)N(Cc1cccs1)CC(C)C)N1CCN(C)CC1 534638584 GGSKXVSLOJDIDM-QGZVFWFLSA-N 366.575 2.942 0 50 FFAA CCN1C[C@@H](NC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)CC1=O 534666986 WZIWZDXCOGDMRV-SFHVURJKSA-N 370.428 2.553 0 50 FFAA CN(Cc1nccs1)C(=O)NC1CCN(Cc2cccc(O)c2)CC1 534673164 WNZSNRASFPUQQX-UHFFFAOYSA-N 360.483 2.655 0 50 FFAA COc1ccc(-c2c(-c3ccccc3)ncn2[C@@H](CO)C(=O)O)cc1O 91416896 YMDURANLZPFSCR-AWEZNQCLSA-N 354.362 2.549 0 50 FFAA Cc1ccc2oc(C(=O)N[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@H]3O)c(C)c2c1 1940196161 OWSWTQHWMWVERR-IAOVAPTHSA-N 370.449 2.588 0 50 FFAA O=C1CCCN1Cc1ccccc1CNc1cc([C@@H]2CCOC2)ncn1 299782719 YCWDCFZRRZIWBM-QGZVFWFLSA-N 352.438 2.715 0 50 FFAA Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)NCCN=c1cc[nH]cc1C 821175202 KXCBQOWRYOXAMK-INIZCTEOSA-N 364.493 2.985 0 50 FFAA CCc1ccc(-c2cc(-c3nc(CC(N)=O)nn3C(C)(C)C)n[nH]2)cc1 823523693 FHVRILGAYZMZDX-UHFFFAOYSA-N 352.442 2.680 0 50 FFAA CCOC(=O)c1sc(-c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)nc1C 584902881 CGMKMERYMDNLBO-OAHLLOKOSA-N 374.462 2.892 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCOC2)cc1 1875287574 PIUQPWTXBQBKSP-FPOVZHCZSA-N 366.461 2.690 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCOC2)cc1 1875287573 PIUQPWTXBQBKSP-CTNGQTDRSA-N 366.461 2.690 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC[C@@H](OCc2ccccn2)C1 952982565 AYAVWFKDWNUJAW-DKRLNXSXSA-N 358.463 2.856 0 50 FFAA Cc1noc(COC2CN([C@H](C)c3ccc(-n4ccnc4C)cc3)C2)n1 886097050 KHJLMHQYYPOASY-CYBMUJFWSA-N 353.426 2.834 0 50 FFAA O=C(CCCc1cccs1)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565507084 FXDUVBWPOUNSCA-ROUUACIJSA-N 360.479 2.956 0 50 FFAA c1ccc(-c2nnc(CN3C[C@@H]4CC[C@H]3CN(C3CCOCC3)C4)o2)cc1 1565516929 AFAPXJVMJGLOFB-APWZRJJASA-N 368.481 2.812 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cccc3ncccc23)o1 275242660 BPBHALRQHCTXJU-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cc(Cl)c3c(c2)OCCO3)cn1 275447867 GHFJNNFCCLRBER-DOTOQJQBSA-N 363.845 2.855 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc([Si](C)(C)C)cc1 170616310 FXIQEZOCRVWDQJ-UHFFFAOYSA-N 352.532 2.657 0 50 FFAA Cc1noc2ncnc(N[C@@H](C)CN3CCN(c4ccccc4)CC3)c12 192463286 QOWUMLQVVUVUQA-AWEZNQCLSA-N 352.442 2.549 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cccc(OCCO)c3)C1)CC2 1704305562 LELJCNJLVPINOV-OAQYLSRUSA-N 353.466 2.636 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCCN(c2cc(C3CC3)ncn2)CC1 1772807668 QWDRRQJNGDGVQW-UHFFFAOYSA-N 357.845 2.755 0 50 FFAA CN(C[C@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1 11753701 HBXVMEAAKFRHOG-CQSZACIVSA-N 361.417 2.949 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cn3ccc(Cl)cc3n2)CC1 11866165 ASPMHDKEHWFXDK-UHFFFAOYSA-N 370.840 2.959 0 50 FFAA Cc1ccc(NC(=O)N2C[C@H]3[C@@H](C2)OC(=O)N3Cc2ccccn2)cc1 12448144 NTJXQXHBEOTNJR-DLBZAZTESA-N 352.394 2.627 0 50 FFAA Cc1c[nH]c(CCNC(=O)c2cc(COc3ccc(C)c(C)c3)on2)n1 19222054 GEZMUGSHLQHHPG-UHFFFAOYSA-N 354.410 2.874 0 50 FFAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(c2nc3ccccc3s2)CC1 1857725315 PUWYJLCYZOIJDD-UHFFFAOYSA-N 353.451 2.689 0 50 FFAA COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Oc3ccccc3)o1)CC2 137969265 FNNLTAVXPBIXRJ-ZDUSSCGKSA-N 368.393 2.555 0 50 FFAA C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)NC(=O)NC1=O 267262733 QLFCGKVTROGYFT-BEFAXECRSA-N 369.446 2.780 0 50 FFAA O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCc2cc(F)ccc21 801076956 WKFSPNMVLKJSCQ-UHFFFAOYSA-N 353.328 2.714 0 50 FFAA O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc([C@@H]2CCCN2)[nH]n1 2325801294 AULQQORFOJJGTJ-FZMZJTMJSA-N 354.332 2.682 0 50 FFAA COC(=O)N[C@H](OC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl 2141103 NQVJHVTVVJUFDG-SNVBAGLBSA-N 356.589 2.904 0 50 FFAA CCCCNC(=O)CCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 2875915 ORSRKAYFMMSKLN-UHFFFAOYSA-N 363.414 2.611 0 50 FFAA CCc1nc(Cn2c(C(C)C)nc3ccccc32)n(C[C@@H]2COCCO2)n1 2356153422 GFJYKWDOANGQGP-OAHLLOKOSA-N 369.469 2.777 0 50 FFAA CCOC(=O)[C@@H](C(=O)c1cccnc1)[C@@H](C(=O)OCC)c1ccccc1 3130200 HOUUXJLVTPCYJH-DLBZAZTESA-N 355.390 2.791 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 225743087 CKLQSLABJJEFMB-MISXGVKJSA-N 371.836 2.938 0 50 FFAA O=c1[nH]c(Cn2cnc3sc4c(c3c2=O)CCCC4)nc2ccccc12 8015305 JQXLNKLAXVWTEM-UHFFFAOYSA-N 364.430 2.622 0 50 FFAA COCCN1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 53980216 RCGJFWLXPHJUAQ-NRFANRHFSA-N 367.493 2.944 0 50 FFAA CCOC(=O)c1cn(CC2(CO)CCC2)cc(Oc2ccccc2)c1=O 55090901 YBNMFMRDDPIQPW-UHFFFAOYSA-N 357.406 2.980 0 50 FFAA CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2OC)CC1 55062717 YIJWRBKMHIGOCA-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA Cc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCOCC2)c1 23955952 VVXLEPSJIYWUJC-UHFFFAOYSA-N 368.477 2.831 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(CC(=O)NC2CC2)CCO3)s1 67879348 OVWVUSHNDZYNEH-UHFFFAOYSA-N 358.463 2.902 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(c3cncc(C(N)=O)n3)CC2)c1 67714098 PDJUUCXAAZDZTN-UHFFFAOYSA-N 362.437 2.658 0 50 FFAA CCOC(=O)N1CCC(N2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)CC1 72454084 JPKOZJVSAQUKKP-INIZCTEOSA-N 360.454 2.870 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)CCC4CC4)C3)CCC2=O)cn1 77485274 OEAQITHVYKTHSX-NRFANRHFSA-N 370.497 2.706 0 50 FFAA COc1cccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)c1 20019094 BHXUQLWVBOACNQ-UHFFFAOYSA-N 362.437 2.764 0 50 FFAA Cn1c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)nc2ccccc21 20777435 AAUQGLSUUQWXIG-SFHVURJKSA-N 356.514 2.775 0 50 FFAA C[C@@H]1CCCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 230081754 STSILBNNESOIPC-CVEARBPZSA-N 361.461 2.559 0 50 FFAA Cn1c(O)nc2ccc(C(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc21 330080111 JEHUFUSEFXOOMA-OAQYLSRUSA-N 363.417 2.941 0 50 FFAA C[C@@H]1CCCC[C@H]1NC1=NN/C(=C2\C=NC(C(=O)N3CCCC3)=C2)CS1 253393689 PCRUJGUFAFIGQF-ZYZVUEHKSA-N 373.526 2.607 0 50 FFAA Cc1nccc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)n1 77486524 JXTCTRCUSGSWOS-UHFFFAOYSA-N 367.501 2.691 0 50 FFAA C[C@H](NC(=O)N1CC[C@H](C)[S@@](=O)CC1)c1nc(C2CCCCC2)no1 253424767 KJXQIAUAUDSTGW-IZEVZFMRSA-N 368.503 2.731 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NC[C@H](C)N3CCN(C)CC3)n2n1 72426520 RWTRURBUKRCFIL-KRWDZBQOSA-N 364.497 2.753 0 50 FFAA CC[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCC2)c1)c1ccccn1 215657084 QMUBJXDIRRPUPV-KRWDZBQOSA-N 373.478 2.747 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3c3cccnc3)ccc2N1 328888708 PUEZVHDHEOSESZ-GOSISDBHSA-N 371.462 2.882 0 50 FFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)C1CCS(=O)(=O)CC1 368599080 VOESNSVKTLDFIT-PBHICJAKSA-N 365.495 2.820 0 50 FFAA CN1CCC(N(Cc2cccnc2)C(=O)c2cccc(N(C)C)c2)CC1 77565747 AGIRHYNOZZWFMW-UHFFFAOYSA-N 352.482 2.884 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cc(C(=O)O)c(C)o1 262992855 OOFIBGBGXFIXHI-GOSISDBHSA-N 368.389 2.867 0 50 FFAA Cc1cc(C(=O)N2CCCN3c4ccccc4C[C@@H]3C2)ncc1C(=N)O 333135790 XUEIEDCKYLUNOU-OAHLLOKOSA-N 350.422 2.551 0 50 FFAA CC[C@@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 236954833 ARHMVXVMXOGXJD-UONOGXRCSA-N 359.344 2.901 0 50 FFAA CN(C)C(=O)Cn1cc(NCc2ccccc2OCc2ccccn2)cn1 236988923 GPFZVWMOMISBMZ-UHFFFAOYSA-N 365.437 2.557 0 50 FFAA Cc1nnc2c3ccccc3c(N(C)[C@H]3CCO[C@@H]3c3cccnc3)nn12 333377788 BAUBXXQFJHFXBZ-ZWKOTPCHSA-N 360.421 2.947 0 50 FFAA O=C(O)C1(n2ccnc2)CCN(Cc2ccccc2C(F)(F)F)CC1 72433234 INENKGJUNLUQDB-UHFFFAOYSA-N 353.344 2.978 0 50 FFAA Cc1cccc(C[C@H](CNC(=O)c2ncoc2[C@H]2CCCO2)C(=O)O)c1 237698465 FYUJPMMLFWZRQH-HUUCEWRRSA-N 358.394 2.508 0 50 FFAA CC(C)c1cc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)nc(C(F)(F)F)n1 72421057 CAJNFIMQEDKQQX-LBPRGKRZSA-N 372.391 2.652 0 50 FFAA O=C(Nc1ccc(C(F)(F)F)nc1)N1CCN(Cc2ccccn2)CC1 158594813 INSWPOMCWXVRQY-UHFFFAOYSA-N 365.359 2.845 0 50 FFAA Cc1ccn(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 219088589 OHCUYWUBMRYTFM-IAYYMHMVSA-N 364.449 2.758 0 50 FFAA O=C(NCCCO)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77486842 CFJIKSMUNJWEMW-UHFFFAOYSA-N 371.481 2.830 0 50 FFAA O=C(O)[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 238004241 VTVVTUKIAMDFHW-MJGOQNOKSA-N 370.424 2.980 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(=O)cc(C)o2)c2ccncc2)cc1 215915241 YHKYNWLQHNSWRR-IBGZPJMESA-N 350.374 2.871 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCOCC1 238105168 OUAFEDIYTWENKY-KGLIPLIRSA-N 371.355 2.901 0 50 FFAA O=c1[nH]c(NCC[C@H](c2ccc(F)cc2)c2ccco2)nc2c1CCNC2 82098895 OTTYTVQKRVGZKW-OAHLLOKOSA-N 368.412 2.782 0 50 FFAA CC(C)(C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccccc1 220022091 FYRQOJYJVSAYQR-IAGOWNOFSA-N 360.479 2.911 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cn2cc(Cl)cnc2n1 82096471 APJDUFKXAQJMCS-MRXNPFEDSA-N 369.856 2.511 0 50 FFAA CCOC(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3)c2)nc1 426530338 AVLWBOQFLCXXNZ-GOSISDBHSA-N 367.449 2.701 0 50 FFAA CC(C)N1CC[C@H](CNC(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 426490378 UTVMKSFXYSNQSD-OAHLLOKOSA-N 357.458 2.608 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1csc(N3CCCC3)n1)C2 91736964 OEFOJBPREFIGJE-CQSZACIVSA-N 373.478 2.619 0 50 FFAA CCn1cncc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 91847556 OKCZCDFTIMCUQV-MRXNPFEDSA-N 354.454 2.696 0 50 FFAA O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95354502 KYBFPPNUCXHDBK-XUVXKRRUSA-N 351.425 2.923 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1ccc(N2CCOCC2)cc1 97514367 YATWLMHCFNQCGL-KRWDZBQOSA-N 366.461 2.894 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCN(Cc3ccsc3)CC2)cc1F 95383540 NBDKBRVRWLDVGK-QGZVFWFLSA-N 364.442 2.839 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCSC)[C@@H]3C4CCN(CC4)[C@H]23)c1 95355363 RVNQRQIRFVORRD-MISYRCLQSA-N 360.523 2.837 0 50 FFAA Cc1cc(NC(=O)N2CCN(c3nccs3)CC2)n([C@@H](C)C2CC2)n1 95509267 VWTBSJJGOYGJDU-ZDUSSCGKSA-N 360.487 2.973 0 50 FFAA CN(Cc1nc2ccccc2[nH]1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91651004 COWHCZOZRXQGOC-UHFFFAOYSA-N 368.481 2.950 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)C1=O 91321546 VIIYNLZIWOOWQE-QGZVFWFLSA-N 354.372 2.719 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 91657384 KKNZCXMLGGLRMO-QGZVFWFLSA-N 357.498 2.681 0 50 FFAA CCN1CCC(CC(=O)N2CCn3cccc3[C@@H]2c2cccnc2)CC1 95500619 BUKPYFBHMBZNGH-NRFANRHFSA-N 352.482 2.937 0 50 FFAA Cc1nn(C)c2nc(N3CC[C@]4(CC(=O)c5ccccc5O4)C3)sc12 96150241 KGPCDDJXOFEFLF-SFHVURJKSA-N 354.435 2.953 0 50 FFAA CCOc1ccc(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)cc1C(=O)O 244734931 NOCOQJRWEALMRY-HDJSIYSDSA-N 357.410 2.956 0 50 FFAA CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 248321518 UWWXGLYVHAIYSP-FHIRATQRSA-N 367.323 2.555 0 50 FFAA CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O 244787590 PZXWZCRCBXEUJH-NXNVCVFFSA-N 350.484 2.536 0 50 FFAA Cc1cnccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2F)CC1 244795764 RNBCNIKRZVIGGC-CQSZACIVSA-N 361.392 2.784 0 50 FFAA CS(=O)(=O)c1ccccc1NC(=O)N1CC[C@@]2(C1)OCc1ccccc12 184021928 IPIRNIYRRCGOTP-IBGZPJMESA-N 372.446 2.753 0 50 FFAA COc1ccc2c(=O)n3c(cc2c1OC)-c1cc2c(cc1CC3)OCO2 1775937551 KATKZQUZLDDMQJ-UHFFFAOYSA-N 351.358 2.971 0 50 FFAA CNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2nncn2C2CCCC2)c1 299761407 WJFFHHOGSJXCMW-CYBMUJFWSA-N 370.457 2.944 0 50 FFAA Cc1cc(=O)c(C(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cn1C 299793671 IRZPPLRJUUQBIJ-UHFFFAOYSA-N 367.493 2.678 0 50 FFAA Cc1noc([C@@H](C)N(C)C(=O)c2ccc(Cl)cc2OCCCN)n1 299802625 UAKLADPHRXSDBE-SNVBAGLBSA-N 352.822 2.592 0 50 FFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCC2 823624154 VHJIJHGWCFTKSN-INIZCTEOSA-N 353.422 2.911 0 50 FFAA C[C@@H](CN1CCCCC1)c1nc(CC(N)=O)nn1-c1ccccc1Cl 826842441 RTXOIQZUCFRTNK-ZDUSSCGKSA-N 361.877 2.538 0 50 FFAA Cc1cc(N2CCC(OCCCN)CC2)nc(N(C)c2ccccc2)n1 1875282080 LWZMIWVSZHRAKW-UHFFFAOYSA-N 355.486 2.887 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 1875365585 CWNGLSURIPYNTE-HNNXBMFYSA-N 371.264 2.568 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](c3ccccc3)O[C@@H](C)C2)C1 1875379141 NERAUVDUYGVAEO-WDSOQIARSA-N 356.466 2.790 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2c1ccc2ccccc2n1)c1cnccn1 888103267 BGFYILNHMDJVIH-ALOPSCKCSA-N 359.433 2.955 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(C(=O)O)cc2)c(C)o1 1565530405 WGPWBEKPFKUMDI-IRXDYDNUSA-N 359.378 2.561 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@@H]1NC(=O)N(C)C 1565510004 GEWZVDXXSKHIRM-AEFFLSMTSA-N 354.454 2.603 0 50 FFAA C[C@H](OC[C@H]1CCCCO1)C(=O)NCC1(C)CN(Cc2ccccc2)C1 170601704 MRGKAQJTYZKFFI-PKOBYXMFSA-N 360.498 2.599 0 50 FFAA O=C(c1cc(N2CCCC2)ccn1)N1CCO[C@H](c2cccc(O)c2)C1 189313621 YRUCMTZXQOFLEH-IBGZPJMESA-N 353.422 2.601 0 50 FFAA O=C(NCc1ccc(CO)c(F)c1)c1nn(-c2ccccc2)c2c1CCC2 194213553 PPPJCEPEZQOLOP-UHFFFAOYSA-N 365.408 2.922 0 50 FFAA Cc1cccn2ncc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c12 1772710852 WXBYATUSZQKZCB-OAHLLOKOSA-N 360.421 2.705 0 50 FFAA O=C(Cc1cc(F)c(F)c(F)c1)N1CCCN(C(=O)C2CC=CC2)CC1 1772709919 SKBIJUSSYXDKJM-UHFFFAOYSA-N 366.383 2.674 0 50 FFAA O=C(CCc1cnccn1)N1CCC[C@](CO)(CCc2ccccc2)C1 12386933 MPPGWANEXDVLEE-NRFANRHFSA-N 353.466 2.643 0 50 FFAA C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)NCc1ccccc1 16651185 FMWLVLYDALADNC-CQSZACIVSA-N 353.451 2.518 0 50 FFAA COc1ccc2c(c1)C[C@H](N1CCC(n3cc(C(C)(C)N)nn3)CC1)CC2 19224237 VDZDFEQJOUBWQY-GOSISDBHSA-N 369.513 2.675 0 50 FFAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@@H](Cn2ccnc2)C1 19714761 XRQXYXXLODWYTA-KRWDZBQOSA-N 368.485 2.524 0 50 FFAA O=C(CCc1nnc(CCc2ccccc2)o1)NCCc1cscn1 19745181 WCYDYLCDEBMXDV-UHFFFAOYSA-N 356.451 2.603 0 50 FFAA CSc1ccc2cc(-c3nccn3C[C@@H]3COCCO3)c(O)nc2c1 1857692727 RBGPYJXUAKOUPT-CYBMUJFWSA-N 357.435 2.941 0 50 FFAA Cc1ncsc1CN1CCc2nc(C(=O)N[C@H]3C=CCCC3)cn2CC1 1875242985 KLDWAQUIDVZPCD-HNNXBMFYSA-N 371.510 2.545 0 50 FFAA O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@H](Nc2ccc3nccn3n2)C1 329098434 LXCBMZMAICFORX-XLAORIBOSA-N 367.497 3.349 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C[C@H]1n1ccnc1 125459922 BNOGMIUMUZGRCT-VDHUWJSZSA-N 367.449 2.868 0 50 FFAA C[C@H]1CN(c2ccccc2CNCc2cccc3c2OCCO3)CCO1 838892880 XQGBLGHFLHAALJ-INIZCTEOSA-N 354.450 2.973 0 50 FFAA FC(F)C[C@H]1CN(Cc2cn3cccc(Br)c3n2)CCN1 2325792392 YGEJFWBAWFSFHL-JTQLQIEISA-N 359.218 2.526 0 50 FFAA NCc1ccn2ncc(C(=O)Nc3ccc(-c4n[nH]c(C5CC5)n4)cc3)c2c1 2325857528 FKQCTFTXUUSRGT-UHFFFAOYSA-N 373.420 2.708 0 50 FFAA O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467678 GYQBGRQLIJGENR-GFCCVEGCSA-N 368.455 2.927 0 50 FFAA COc1ccc(C(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc1C 2356138756 HPUVKGLMZIZMQM-YLJYHZDGSA-N 363.454 2.718 0 50 FFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 2927331 UFEZMDGTPGAVCW-HNNXBMFYSA-N 352.818 2.890 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2cccc(-n3cccn3)c2)CC[C@@H]1O 2356156191 VYJOGHIHLXGYOF-PZJWPPBQSA-N 371.481 2.946 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)c1ccc(-c2nccc3ncccc23)cc1 2356166389 VUSGKVGERQLMEH-AWEZNQCLSA-N 358.405 2.707 0 50 FFAA COC(=O)c1ccc(OC)c(CN2CCC[C@]23CCCN(C(C)C)C3=O)c1 2356169160 VJOUURCKOPGHOO-OAQYLSRUSA-N 374.481 2.847 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 4590084 MBPVSYOGUBGPKF-UHFFFAOYSA-N 373.261 2.613 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 53211767 NMFGTZDDSSSTDY-RDTXWAMCSA-N 350.484 2.636 0 50 FFAA Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)c(F)c1F 55403517 KFINLWNEMBJGKR-UHFFFAOYSA-N 360.404 2.724 0 50 FFAA CC(C)C(=O)N1c2ccccc2OC(=O)[C@@H]1CC(=O)Nc1ccccc1 9225414 DONBNQVPDLYSOP-INIZCTEOSA-N 352.390 2.992 0 50 FFAA COc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1N1CCCCC1=O 134541927 VGUPDWFSAAPJLX-AWEZNQCLSA-N 368.437 2.994 0 50 FFAA Cc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl 54363192 URURNUCVQDBVOZ-SECBINFHSA-N 368.680 2.868 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)CCn3cnc4ccccc43)CC2)nc1 67919818 JFCKQLABBYQXBI-UHFFFAOYSA-N 364.449 2.640 0 50 FFAA O=C(COc1ccc(Cl)cc1)NC1CCN(Cc2ccccn2)CC1 20201666 OBHRCETZRFRAIA-UHFFFAOYSA-N 359.857 2.895 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@H](c1cccnc1)N1CCCC1 67472873 ZHTBVUQQFRTMMR-IBGZPJMESA-N 353.470 2.527 0 50 FFAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@]2(CCNC2)C1 67587624 QDWSGNSWRKVOHS-HXUWFJFHSA-N 352.438 2.830 0 50 FFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC[C@@H](C2OCCO2)C1 229797331 NDQGWBQAPXDAAP-QWHCGFSZSA-N 368.861 2.761 0 50 FFAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2F)C1 331253865 SBWUVECKIJTCDT-VXGBXAGGSA-N 354.397 2.827 0 50 FFAA NC(=O)c1ccc(N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)nc1 67742859 SOUZUPGYSKXQPK-UHFFFAOYSA-N 361.449 2.878 0 50 FFAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 252513185 XXJDIIPFFBQJCX-RGYORQFESA-N 357.406 2.706 0 50 FFAA O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccn(C(F)F)n1 2794566 XEIQTCFFKKNRAL-UHFFFAOYSA-N 370.722 2.963 0 50 FFAA C[C@@H]1CCc2onc(C(=O)NCCCn3cc(Br)cn3)c2C1 2805585 SRKVMOHDNSCGLM-SNVBAGLBSA-N 367.247 2.579 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2nnsc2Cl)[C@@H]1c1cnn(C)c1 328648777 USKZUZWMWXLFOE-SWLSCSKDSA-N 368.938 2.830 0 50 FFAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2cccc3ncccc23)n1 72474199 ANAQDLGBSZGJEB-ZDUSSCGKSA-N 368.462 2.766 0 50 FFAA CN1CCCC[C@@H]1C(=O)N1CCC(CCOc2ccccc2)(C(=O)O)CC1 71765118 UANTZYGEJSADAO-GOSISDBHSA-N 374.481 2.633 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1C 71750078 LMENDSLSMKACBV-QGZVFWFLSA-N 373.497 2.943 0 50 FFAA COc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1OC 6569525 OGYUGDBXLRXVJS-UHFFFAOYSA-N 362.480 2.892 0 50 FFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@H]1C[C@]12CCOC2 330000371 WIABVOREADRYKG-DYVFJYSZSA-N 368.355 2.893 0 50 FFAA O=C1N[C@@H](CC(=O)N2CCCN(Cc3cccs3)CC2)c2ccccc21 77286647 WUPWHOUKXICCLL-SFHVURJKSA-N 369.490 2.657 0 50 FFAA CCOc1ccccc1-n1ccc2c(cnc3nc(SC)nn32)c1=O 30875295 DHLCZOLKDVAWDY-UHFFFAOYSA-N 353.407 2.549 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(OC2CCOCC2)CC1 364828316 PIRPSAQPHYZGII-MRXNPFEDSA-N 358.482 2.624 0 50 FFAA CN1CCC[C@@]2(CCN(c3cc(-c4ccccc4)nc4ccnn34)C2)C1=O 72412132 ASEQPUZXMAWFHI-NRFANRHFSA-N 361.449 2.845 0 50 FFAA C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c2nccn21 333427596 SZVPOVILUUBYLP-DSLXNQLJSA-N 365.481 2.805 0 50 FFAA C[C@H](OC[C@H](O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1 241693958 QJDFIIGAOOTSSW-IEAZIUSSSA-N 363.841 2.730 0 50 FFAA C[C@H]1CN(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)C[C@@H](C)O1 72428629 OTLFVUADSGHHOS-GASCZTMLSA-N 359.495 2.878 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(OCc2ccccc2F)cc1 218972765 LXWYSZSJLWGYIZ-RTBURBONSA-N 359.397 2.938 0 50 FFAA O=C(NCCN1CCOCC1)N1Cc2ccccc2C[C@H]1c1ccccc1 173977555 SJXPTVPJTVDZHE-NRFANRHFSA-N 365.477 2.828 0 50 FFAA O[C@@]1(CN2CCCC2)CCCN(Cc2cnc(-c3ccccc3)nc2)C1 77375189 NLDCKIMLICATSC-OAQYLSRUSA-N 352.482 2.566 0 50 FFAA Cc1cc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)c2[nH]c(C)c(C)c2c1 77353348 GDZOLLYLBOKBAZ-UHFFFAOYSA-N 374.448 2.928 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CC[C@@H](C)N3CCOCC3)CC2)c1 77323645 LJYAZNHVUCKRDD-GOSISDBHSA-N 360.498 2.866 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C1 176036588 RPOASZIEDNJZOW-ZMSDIMECSA-N 363.889 2.711 0 50 FFAA Cn1cc([C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C2CC(O)C2)cn1 222692413 OCOCJPDAZFZZRC-GQOXECLESA-N 368.481 2.652 0 50 FFAA Cc1cccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c1O 82137347 LZTRDDNKSMDGJE-UHFFFAOYSA-N 356.470 2.689 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCCN(Cc2cccnc2)C1 223634034 JVFJPKKSCPSCNM-SFHVURJKSA-N 367.449 2.524 0 50 FFAA CCN1C[C@H](CN(C)C(=O)c2ccc(-c3ccc(C)nc3N)cc2)CC1=O 426504659 VUWQHIOKYZPMGX-HNNXBMFYSA-N 366.465 2.580 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)o1 82098322 WPLFPODHPPKZGA-ZDUSSCGKSA-N 353.382 2.968 0 50 FFAA Cc1nc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc1-c1ccccc1 225697452 FBXYUMIGGZBMFX-MQYQWHSLSA-N 358.419 2.935 0 50 FFAA CC[C@H](NC(=O)N1CCN(c2nc[nH]n2)CC1)C12CC3CC(CC(C3)C1)C2 426399109 XJRQDXDPDQLLLF-FAKMSMKASA-N 372.517 2.631 0 50 FFAA CC[C@@H](C)n1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccnc3)nc21 20615427 GLAQJHYFJVBALO-SECBINFHSA-N 356.407 2.811 0 50 FFAA CN1C(=O)[C@@]2(CCCN(C(=O)c3onc4c3CCCC4)C2)c2ccccc21 426503515 WXRSXSOFQONJBT-OAQYLSRUSA-N 365.433 2.704 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccsc3)C2)CN1CCc1c[nH]cn1 92020858 MUBOBVIAFSCNEL-IBGZPJMESA-N 372.494 2.559 0 50 FFAA COc1ccnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 91745268 HCDFZXYRSNONHC-INIZCTEOSA-N 350.426 2.509 0 50 FFAA O=C(NCc1csc(Cc2ccccc2)n1)c1cnc(C2CC2)[nH]c1=O 91690775 JXNMBFLCBHZCDM-UHFFFAOYSA-N 366.446 2.625 0 50 FFAA CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 266043934 BRERAECDZKMDEI-RDTXWAMCSA-N 361.438 2.980 0 50 FFAA CC[C@]1(C(=O)O)CCCN(CCC(=O)NCc2ccccc2Cl)C1 91966046 JMAAGSXOUBNCGG-SFHVURJKSA-N 352.862 2.923 0 50 FFAA O=C(CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O)NCCC1=CCCCC1 180687615 OBIGIXVVHXNTPO-JOCHJYFZSA-N 366.461 2.636 0 50 FFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCC[C@H](OCc2ccccn2)C1 91625718 SPEOVHLYFLMIBS-KRWDZBQOSA-N 366.421 2.741 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1cc(CC(C)C)nn1C)C2 95368190 OBJSLRSRMKJLMV-CQSZACIVSA-N 357.454 2.608 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCCOC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 91574662 NRTBWHGXQDCVKL-MMQMDBNWSA-N 374.529 2.908 0 50 FFAA CN1CCC[C@@H](CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)C1 95499680 SRVIIULHILQHOS-KRWDZBQOSA-N 358.482 2.753 0 50 FFAA COCCN1CCC[C@@]2(CCN(c3nnc(-c4ccccc4)s3)C2)C1=O 91691732 SGSUSCQWTRJCDJ-IBGZPJMESA-N 372.494 2.670 0 50 FFAA O=C(CCCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91665274 OHLJXGXIQAXFFF-RBUKOAKNSA-N 350.466 2.927 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)n2)cc1 182138941 RFRFYMSKEXVZMK-QAPCUYQASA-N 362.437 2.653 0 50 FFAA CC[C@H]1CCCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)NC(=O)C3)C1 182417589 AOHXIZDTZSKEEA-HNNXBMFYSA-N 357.498 2.741 0 50 FFAA CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@H]1CCOC1)C2 257372230 LTXRBEKFEVCBRE-HXUWFJFHSA-N 368.525 2.800 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 253394012 WDDGPZYSHAZRPD-TXEJJXNPSA-N 352.360 2.952 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 534673041 BLRYWOUEPPKNLX-AWEZNQCLSA-N 364.453 2.817 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102024027 QHAMATQQPPDPAK-LAQRGFTBSA-N 365.408 2.999 0 50 FFAA O=C(NC[C@@H]1CNCCO1)Nc1ccccc1OCCCc1ccccc1 299797893 CVNBOMMYEYYGMQ-SFHVURJKSA-N 369.465 2.808 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cccc(-n3nc(C)cc3C)c1)CC2 299777256 KTBVIYYYFVHEHO-QHAWAJNXSA-N 355.482 2.993 0 50 FFAA CC(C)(C)c1cc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)[nH]n1 299790666 BXQZWHRBESBERC-JKSUJKDBSA-N 360.502 2.752 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1c(C)cc(C)cc1-n1cccn1)CC2 299795322 KPFAXLFWZUIQAB-JRGCBEDISA-N 355.482 2.993 0 50 FFAA C[C@@H](NC(=O)c1ccccc1-c1nc[nH]n1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 820723387 QPNDIMYTGOLPQU-WSACYYNKSA-N 366.465 2.921 0 50 FFAA O=C(N[C@@H](c1ccccc1)c1ccco1)c1cc(=O)nc2sccn12 670433976 RRQYTQOCRURNSF-INIZCTEOSA-N 351.387 2.868 0 50 FFAA COc1ccc(Cn2nc(C)nc2CCNC(=O)c2ccccc2F)cc1 670456103 CAWFXWNLSBPYJF-UHFFFAOYSA-N 368.412 2.755 0 50 FFAA CCC[C@@H](NC(C)C)C(=O)N1CCc2nnc(-c3ccncc3)cc2C1 952893246 HCHWBFJUECCMQE-GOSISDBHSA-N 353.470 2.590 0 50 FFAA Cc1ccc([C@H](C)c2noc(CN3CCCC4(CC4)S3(=O)=O)n2)o1 1875290960 JXFSCBQMUVTSSV-LBPRGKRZSA-N 351.428 2.581 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 1875371294 WMRHHEKJASWNJG-XHDPSFHLSA-N 371.264 2.568 0 50 FFAA COc1ccccc1[C@H](CNC(=O)[C@H](C)[C@@H]1CCNC1)N1CCCCC1 1875336114 SLGCEPDCBJCAEB-LMMKCTJWSA-N 359.514 2.584 0 50 FFAA COCc1ccc(C(=O)N=c2ccn(-c3ncccc3Cl)[nH]2)cc1F 1875318987 NYJXAWITHJXYHV-UHFFFAOYSA-N 360.776 2.880 0 50 FFAA CCc1ccccc1CN1C[C@@H]2OCCN(C(=O)c3ncccc3C)[C@@H]2C1 1875331947 GOKFHEJYLCPQKP-UXHICEINSA-N 365.477 2.678 0 50 FFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)c1c(Cl)c(C)nn1C 952985959 DPSKHZRQHJNRDA-UHFFFAOYSA-N 350.806 2.991 0 50 FFAA CCC(=O)Nc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c(C)c1 952868150 CDNNVRQFECUQFD-UHFFFAOYSA-N 374.462 2.928 0 50 FFAA CCc1nccn1CCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565507865 UXICGTOTGDMXLN-HRQSHJORSA-N 353.466 2.598 0 50 FFAA CCc1c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cnn1-c1ccccc1C 186001932 XIFWLHHYWMXXQY-HNNXBMFYSA-N 368.481 2.872 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 186390959 IXNIKSCUCQCCFB-OAHLLOKOSA-N 366.433 2.893 0 50 FFAA O=C(Cc1cc(-c2ccccc2)on1)N[C@@H](C(=O)O)c1ccccc1F 170066749 CSNAKQHSLYYEGS-GOSISDBHSA-N 354.337 2.965 0 50 FFAA COCCNc1ccccc1CNC(=O)[C@@H](O)Cc1ccccc1Cl 170599959 JHPVLZCJVJZJAE-SFHVURJKSA-N 362.857 2.618 0 50 FFAA O=C(c1csc([C@@H]2CCCO2)n1)N1CC[C@@H](OCc2ccncc2)C1 170692578 KTCPIBSZVZVMSP-ZBFHGGJFSA-N 359.451 2.821 0 50 FFAA Cc1cc(N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)n(C)n1 170613798 ONZHOXSMVJXBIG-ZDUSSCGKSA-N 363.215 2.631 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)NC[C@@H](C)N2CCCCC2=O)c1C 190302490 VWMGOPUVGMTUHC-OAHLLOKOSA-N 354.454 2.620 0 50 FFAA O=C(O)c1ccc(C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)cc1 191631691 UTDLLSJUXLVCMG-UHFFFAOYSA-N 366.348 2.986 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccccc4C)CC3)C[C@H]2O)n[nH]1 1529189094 GFMLXWJQXPROHK-DYESRHJHSA-N 354.498 2.531 0 50 FFAA O=c1/c(=C/c2ccco2)sc2nc(-c3ccc(Br)cc3)nn12 1135739 QPISBJSDJNISJO-WQLSENKSSA-N 374.219 2.721 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc(-c4cccs4)oc3C)C[C@H]2O)n[nH]1 1704299178 OAQWKBXGSXLESM-CZUORRHYSA-N 358.467 2.778 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772710543 XMADLERSHIWULY-MGPUTAFESA-N 357.404 2.654 0 50 FFAA CCn1ccc(CN2CCCN(C(=O)c3ccc(C(C)=O)s3)CC2)n1 1772702651 XDUWJVFKQYJEDC-UHFFFAOYSA-N 360.483 2.515 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C3(O)CC3)c(O)n2)cc1 1772815951 AMGOHPDZPAPRMC-KRWDZBQOSA-N 354.406 2.592 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cc3ccc(Cl)cc3nc1O)C2 1772700468 BKVXKOGGYBIWLW-ACJLOTCBSA-N 362.813 2.517 0 50 FFAA COC(=O)c1ccc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 11814997 DSZFKYMXOPGYCI-SFHVURJKSA-N 356.397 2.503 0 50 FFAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 11938315 ORYDZGYWOIXSBL-QGZVFWFLSA-N 369.440 2.627 0 50 FFAA O=C(/C=C/c1ccccn1)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 12078238 XNQGTJPBLSMBBK-OZSKJFCKSA-N 358.401 2.672 0 50 FFAA CN1CCC(N2CCC[C@H](C(=O)NCCn3ccc4ccccc43)C2)CC1 12304971 HFENTWWQBCRPFS-IBGZPJMESA-N 368.525 2.564 0 50 FFAA O=C(CCN1CCCO1)N1CCC[C@](CO)(CCCc2ccccc2)C1 12387401 ZNBPVLQOUPLOLM-OAQYLSRUSA-N 360.498 2.638 0 50 FFAA O=C1CCC(C(=O)N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)=NN1 12442729 YJDZPEAJMGFSBD-NRFANRHFSA-N 374.529 2.537 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 12566990 HXIXTXBTHPRSDZ-GASCZTMLSA-N 374.462 2.737 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ncoc4C)C3)C2=O)c1 12708869 KHUHDDHHQXAKSM-NRFANRHFSA-N 367.449 2.946 0 50 FFAA CCCN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)ccc1C 16623574 RGDGIOHMNJBERC-UHFFFAOYSA-N 351.428 2.574 0 50 FFAA CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C(=O)OC)cc1)CCCC2 169752936 OPLZEXPUIMWXQC-UHFFFAOYSA-N 370.405 2.622 0 50 FFAA COc1cccc(-c2nc(CN3CCc4[nH]nc(C(=O)O)c4C3)c(C)o2)c1 1857676361 GJTYCBVAJBKWDS-UHFFFAOYSA-N 368.393 2.638 0 50 FFAA CN(C)C(=O)c1ccc(N2CCc3[nH]nc(-c4ccccc4)c3CC2)nc1 1857707772 JGDDARDAVLZYFS-UHFFFAOYSA-N 361.449 2.779 0 50 FFAA COc1cccc(F)c1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857726676 BXEQZSMYTXNPDY-JTDSTZFVSA-N 370.424 2.779 0 50 FFAA CCCO[C@H]1C[C@@H](c2nc(C)nn2-c2cnc3ccccc3n2)CC[C@@H]1N 1857739502 UJYYJWNVKRFRFV-MPGHIAIKSA-N 366.469 2.909 0 50 FFAA CCC[C@]1(CO)CCN(Cc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1O 1875248635 CPPJHDNQOMRXIF-LEWJYISDSA-N 357.498 2.835 0 50 FFAA O=S(=O)(N[C@@H]1CCCN(c2ccncc2Cl)C1)c1cccc(F)c1 301499551 FJJZBOBUJFVMII-CYBMUJFWSA-N 369.849 2.821 0 50 FFAA C[C@@H](CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 119456851 HALJYALYHSRSSJ-LPHOPBHVSA-N 372.490 2.791 0 50 FFAA Cc1cccn2c(CC(=O)N3C[C@H]4CC[C@@H](C3)N(CC3CC3)C4)cnc12 247881430 BZLHOARVLZTCLQ-ROUUACIJSA-N 352.482 2.518 0 50 FFAA O=C(NCCC(=O)N1CCc2ccc(Br)cc21)c1ccco1 487513923 KLOAGKOZKPYIDL-UHFFFAOYSA-N 363.211 2.751 0 50 FFAA COc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)ccc1C(=O)O 262850453 DCVSFYANVXODFD-GJZGRUSLSA-N 369.373 2.907 0 50 FFAA CC[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cncc2nc[nH]c12)C(C)C 2325794740 PFBCEIWCXVATBG-AWEZNQCLSA-N 359.474 2.561 0 50 FFAA O=C1CC(c2ccc(CN3C(=O)c4c(F)cccc4S3(=O)=O)cc2)C1 2325868745 IXLZCZNGGUBDMV-UHFFFAOYSA-N 359.378 2.617 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(c3ccc(OC)cc3)CC2)CC1 2325888414 QWFSAJJAPVIWQG-UHFFFAOYSA-N 356.466 2.826 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 1146790 OXCNZWFCKDGGRX-GOSISDBHSA-N 358.825 2.829 0 50 FFAA COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1168146 OQGVXBMTGWLGKA-OAHLLOKOSA-N 352.390 2.773 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)O 4321883 WRWKLZMOFAMVPZ-NUEKZKHPSA-N 364.442 2.553 0 50 FFAA O=C(O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 4714206 GVGQYKZSEMZUKZ-UHFFFAOYSA-N 370.224 2.729 0 50 FFAA CC[C@@H](Cn1cncn1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 225408362 COUQVRDYGHLTCT-UONOGXRCSA-N 369.391 2.824 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCC3=CSC4=NCCN34)cc2)n1 102748574 PSYZTEBCYHBJCU-UHFFFAOYSA-N 367.478 2.538 0 50 FFAA NC(=O)CCn1cc(CNCc2ccc3c(c2)OCO3)c2ccccc21 55099006 IUDMCUMLYBFLDW-UHFFFAOYSA-N 351.406 2.535 0 50 FFAA Cc1ccsc1CNc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)cc1 55088968 OMOXUSMWAJNHGQ-MRXNPFEDSA-N 374.462 2.984 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 55228449 YIDPCIIPLUCJAR-UHFFFAOYSA-N 353.426 2.814 0 50 FFAA CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(S(C)(=O)=O)cc1 55281234 SOFPBIDSNAXNDP-UHFFFAOYSA-N 366.527 2.817 0 50 FFAA CCN1CCCC[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 68459614 PSJMMKGBEKVVPK-HNNXBMFYSA-N 362.861 2.923 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)COc1c(Cl)cccc1Cl 229648767 TWNXHANUDPIEMJ-IJLUTSLNSA-N 372.248 2.908 0 50 FFAA COc1cccc(Cl)c1CNC(=O)N1CCN(c2ccccn2)CC1 252482060 CXGSDIVXNAAPDJ-UHFFFAOYSA-N 360.845 2.775 0 50 FFAA CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@@H]1CN2CCC1CC2 474688597 AWJGSRCNXIIJLB-MRXNPFEDSA-N 366.914 2.809 0 50 FFAA Cc1cc(NC(=O)[C@@H](OC(=O)Cc2ccc(Cl)cc2)C(C)C)no1 328590552 JINVFZJRGDWGTQ-INIZCTEOSA-N 350.802 3.385 0 50 FFAA CCOC(=O)[C@](O)(CC(=O)Nc1cccc(Cl)c1C)C(F)(F)F 2770575 NJDHTNOBLSJEFC-CYBMUJFWSA-N 353.724 2.834 0 50 FFAA Cc1ccnn1Cc1nnc(SCC(=O)c2ccc(F)cc2F)o1 2809147 VRTQQDFYTKUFNU-UHFFFAOYSA-N 350.350 2.876 0 50 FFAA CCCC(C)(C)NC(=O)C(=O)Nc1nc(C(C)(C)C(=O)OCC)cs1 328596648 KTEGALBZISSCJW-UHFFFAOYSA-N 369.487 2.617 0 50 FFAA O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1CCc1ccccn1 126470666 AJHBSEXTAKQFEO-UHFFFAOYSA-N 351.797 2.873 0 50 FFAA COc1cc(CN2CC[C@H](O)[C@@H](O)C2)ccc1OCc1cccc(C)c1 215809005 LDTXHBISNHBTNC-OALUTQOASA-N 357.450 2.510 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)o1 39485186 VFFZNUPSLMLGME-MRXNPFEDSA-N 350.409 2.935 0 50 FFAA O=C(CN1CCCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71774788 SJBCMFMRLBMKAA-KSEOMHKRSA-N 353.510 2.561 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCc2c[nH]nc2C1 332854288 ZVLSUBAGSHJRHX-NOZJJQNGSA-N 369.391 2.563 0 50 FFAA CCc1nccn1CCC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72159224 VWVYSMMHWSDSPA-MRXNPFEDSA-N 355.438 2.625 0 50 FFAA COCC[C@@H](C)NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 155732399 UXTZDMKPSMMCIJ-QLJPJBMISA-N 354.859 2.810 0 50 FFAA COc1ccc(C2(C(=O)N(C)Cc3cnccn3)CCCC2)cc1OC 180430615 KJSOJOMRKBNTST-UHFFFAOYSA-N 355.438 2.964 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72151345 RWKQRPXJKPNZCU-INIZCTEOSA-N 360.408 2.594 0 50 FFAA CCCc1nc(C)c(CNC(=O)c2cc(C(C)C)n3ncnc3n2)s1 215796387 RHDKALBHYVPHOF-UHFFFAOYSA-N 358.471 2.895 0 50 FFAA C[C@H]1CCNC(=O)[C@H]1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 282772386 QYIHGONLYJTRAS-LVGORTOPSA-N 369.387 2.775 0 50 FFAA CN1CC2(CCN(C3CCN(c4ccc(F)c(F)c4)CC3)CC2)CC1=O 72432448 ZTTTWXSXPODIAF-UHFFFAOYSA-N 363.452 2.878 0 50 FFAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C[C@@]23C=C[C@H]1O3 217653491 LTNZXUDWGSHFCN-BLTAXRJOSA-N 373.714 2.730 0 50 FFAA O=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 262026082 ZMNBFBDSIWXQTO-QAPCUYQASA-N 370.522 2.747 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2F)CN1Cc1ccc(F)cc1 14988903 JOZZVDHVADAJTI-QAPCUYQASA-N 374.387 2.511 0 50 FFAA CCCCc1ccc(-n2cc(CN3CCC[C@](O)(CO)CC3)cn2)cc1 72143317 RYJDVJHCRXLFFM-OAQYLSRUSA-N 357.498 2.924 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCCC[C@@H]1CCN1CCOCC1 77453602 KEFZIEHQACSCSN-QGZVFWFLSA-N 368.481 2.794 0 50 FFAA Cn1cc(/C=C/C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)cn1 48148049 HANBFARCVUEQAV-VOTSOKGWSA-N 351.385 2.547 0 50 FFAA Cc1cnn([C@@H](C)C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 72448418 UKTMPFMFIBMDTH-AWEZNQCLSA-N 355.467 2.711 0 50 FFAA CCn1ccnc1[C@H](NCc1ccc(C(=O)NC)cc1)C1CCOCC1 284755935 OGXMWNZZWIJWAY-GOSISDBHSA-N 356.470 2.520 0 50 FFAA O=C(Cc1ccsc1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82125210 CEGRTZWTNOBFMQ-UHFFFAOYSA-N 358.511 2.952 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)C1 263408202 UHMCQACKDXSXKL-SJLPKXTDSA-N 353.422 2.872 0 50 FFAA C[C@@H](NC(=O)c1cc(C(=O)O)ccn1)c1ccc(NC(=O)C2CC2)cc1 263403589 JUZAVHDQSUJLJC-LLVKDONJSA-N 353.378 2.619 0 50 FFAA COc1ccc(NC(=O)CSc2ccc3nnc(C)n3n2)cc1Cl 44920433 PTFZWCGLSMFFIJ-UHFFFAOYSA-N 363.830 2.826 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1Cc1cccc(OCCO)c1 82134552 NUBILQJKOVEISW-HNNXBMFYSA-N 374.868 2.948 0 50 FFAA NC(=O)c1ccnc(N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)c1 426584105 SNTADBJHAOPMMI-OAQYLSRUSA-N 368.456 2.812 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)N1CCN(Cc2cccnc2)CC1 42928256 SIAFKDKEURYQJN-GOSISDBHSA-N 352.482 2.930 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3c(Br)cccc32)C1 40282907 XJKDOSBLMYYJCT-LLVKDONJSA-N 365.227 2.727 0 50 FFAA CC(C)c1nc(-c2ccc(C(=O)NCCc3cccc(O)n3)cc2)no1 426370351 GDLSEVIIDIHORM-UHFFFAOYSA-N 352.394 2.933 0 50 FFAA Cn1c([C@H]2CCCN2C(=O)NCCCn2cccn2)nc2ccccc21 426361372 STNBDKNAOGHKDY-QGZVFWFLSA-N 352.442 2.707 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)no1 95366723 FJHKGWFULIFLEV-QGZVFWFLSA-N 367.449 2.851 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCCN(CC(F)F)CC1 162214254 LKSJLGXWILFUDV-MRXNPFEDSA-N 366.456 2.638 0 50 FFAA O=C(NCCc1c[nH]c2ccccc12)N1CCC(N2CCSCC2)CC1 426536213 BOTNPNPRWFONPE-UHFFFAOYSA-N 372.538 2.933 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1ccc(CN2CCCC2)cc1 97288703 DUIBWGYYQSVZBQ-UHFFFAOYSA-N 373.526 2.724 0 50 FFAA Cn1c([C@H]2CCCN2C(=O)CCc2csc(N)n2)nc2ccccc21 95391538 NEJQZUHNERZMEL-OAHLLOKOSA-N 355.467 2.908 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)NCCCN3CCCC3=O)cc2)n1 96152117 RURKVBJOHSJHBX-UHFFFAOYSA-N 355.442 2.623 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)c1 91270052 YVPWKAJOWYEUBA-WOJBJXKFSA-N 352.478 2.904 0 50 FFAA CCNc1ncc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cn1 91270618 ZOOXBOVLPKDZOE-HNNXBMFYSA-N 356.426 2.949 0 50 FFAA CC(C)N1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCN(C)CC2)C1 95353185 OCRHSIGOKZOOCT-LJQANCHMSA-N 357.542 2.887 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2O)n[nH]1 91643907 SBPMYBVXVPLQMM-KRWDZBQOSA-N 352.394 2.637 0 50 FFAA COc1ccc(Cn2nc(C)cc2NC(=O)NC[C@@H]2CCCO2)cc1OC 96152671 OSXPIEXQKNGNLV-HNNXBMFYSA-N 374.441 2.558 0 50 FFAA COCC(=O)NCc1cc2n(n1)CCCN(CC[C@H](C)c1ccccc1)C2 91756310 DXYVGTLNVNLFBP-KRWDZBQOSA-N 370.497 2.545 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1csc(SC)n1)C2 91586561 OLRSYAODLFJSOI-SNVBAGLBSA-N 350.465 2.855 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)cn1 181283423 ZKEOGKHIQIOQBC-AWEZNQCLSA-N 367.496 2.943 0 50 FFAA Cc1ccc2[nH]c(C3CCN([C@@H](C)C(=O)Nc4nncs4)CC3)nc2c1 243932100 BSTIYKNUWAKCGJ-LBPRGKRZSA-N 370.482 2.929 0 50 FFAA Cc1cccc(CNC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 182419656 MRHXTUIXYACIMR-MRXNPFEDSA-N 354.458 2.755 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccc(F)cc2)CNC3=O)cc1 263617612 OSFWRTYYAAUEJH-LJQANCHMSA-N 366.396 2.730 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)Nc2cccc3[nH]ncc23)CC1 299784880 IGCFVTKVEUSRFL-MRXNPFEDSA-N 370.501 2.587 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)o1 299802294 ZSKSAKLOLRIAQN-UHFFFAOYSA-N 354.450 2.729 0 50 FFAA O=C(Nc1ccnn1-c1ccccc1)N1CCC(C(=O)N2CCCC2)CC1 299756688 HNRYIYHOYSMSKL-UHFFFAOYSA-N 367.453 2.739 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2cccc(-c3cnc4ncnn4c3)c2)C1 584890478 XZFMVYHJOWEKLW-SFHVURJKSA-N 365.437 2.823 0 50 FFAA O=C(c1ccc(-c2cc(F)ccc2C(F)(F)F)cc1)N(CCO)CCO 584903305 RHJNCOWPRQSPPZ-UHFFFAOYSA-N 371.330 2.938 0 50 FFAA CC(C)c1ccc(-c2nnc(NC(=O)c3cnn(CCN)c3)s2)cc1 1875291972 RUQKCQBNUQMSEP-UHFFFAOYSA-N 356.455 2.736 0 50 FFAA O=C(/N=c1\sccn1Cc1ccccc1F)c1cnc2nccnc2c1 1875259911 BBNXMBJRFVYJIQ-NKFKGCMQSA-N 365.393 2.816 0 50 FFAA CCOC(=O)Nc1scnc1C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C12CCC2 1875263142 GWGBJMJKGXZLKD-JLLWLGSASA-N 353.444 2.645 0 50 FFAA CC1(C(=O)N2CCC[C@@H]2Cn2cc(C3CC3)nn2)Cc2ccccc2C1 1875349668 HYNSORKYVZPNEC-GOSISDBHSA-N 350.466 2.952 0 50 FFAA O=C(Nc1cccnc1)N(Cc1ccccc1)C[C@]1(O)CN2CCC1CC2 1875340219 QQLXZVXHXJCSEI-OAQYLSRUSA-N 366.465 2.572 0 50 FFAA FC(F)Oc1ccc(CNC[C@H](c2ccccn2)N2CCOCC2)cc1 952987398 KNGKLNHSTJLYPW-GOSISDBHSA-N 363.408 2.846 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C)n1 952989847 IQHOUENJSDBOKK-MRXNPFEDSA-N 369.425 2.513 0 50 FFAA COC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1nnc(C)o1 952971263 RUDZZEJBJMUPGI-LLVKDONJSA-N 353.419 2.673 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCN(c2nc3ccccc3o2)CC1 952970220 OIQIJPPGXQSJAA-AATRIKPKSA-N 369.446 2.744 0 50 FFAA CN(C)c1ccc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)cn1 952976445 FOJJOKYOFJYUDC-LJQANCHMSA-N 369.465 2.848 0 50 FFAA CC(C)(C)n1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)c1 1565515607 XCQPSVJVKTUVJA-APWZRJJASA-N 359.514 2.959 0 50 FFAA O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1ccc(C(=O)N2CCCC2)cc1 271502114 FFQPUNMZKZPCPU-QGZVFWFLSA-N 373.453 2.730 0 50 FFAA COc1cc2nc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)nc(N)c2cc1OC 301831910 SZYPLYBIDDVONG-JQAFLVLXSA-N 356.426 2.599 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N[C@@H]1CCCC[C@@H]1C 221999127 PVSUFLPMJMNERZ-XALVHSQMSA-N 363.498 2.944 0 50 FFAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccn(-c4ccccc4F)n3)C2=O)o1 188199030 BPOCDZYQOWGWBU-LJQANCHMSA-N 368.368 2.880 0 50 FFAA O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1ccc(Cl)nc1 1327129180 XCEKJRUAFLGIPO-UHFFFAOYSA-N 360.826 2.634 0 50 FFAA COc1ccc([C@H](CN2CCCC2)NC(=O)c2cccc3nccn23)cc1 779543064 SNRGWFZQUVIBBO-SFHVURJKSA-N 364.449 2.910 0 50 FFAA Cc1ccc(N2CCC[C@@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2=O)cc1 789961941 DXBKORPFEIFFKK-QGZVFWFLSA-N 364.405 2.904 0 50 FFAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC(O)(c2cccnc2)CC1 1506427680 OVJDOKYIHHDUQE-LJQANCHMSA-N 369.465 2.791 0 50 FFAA Cc1cc(C[C@@H]2CN(CC3=Cc4cc(Cl)ccc4OC3)C[C@@H]2O)n[nH]1 1529098588 ISEHXJIIPOOQJS-QAPCUYQASA-N 359.857 2.683 0 50 FFAA CCCN1CCC(N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)CC1 1529155660 YDSHRLWYAPBBFX-XMSQKQJNSA-N 353.510 2.944 0 50 FFAA COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c(OC)c1OC 1529109970 HVFVXJLMERJJNC-RTBURBONSA-N 373.449 2.647 0 50 FFAA CCc1nc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)cs1 1704301032 HDGULAYCWZFGEQ-LPHOPBHVSA-N 360.479 2.586 0 50 FFAA c1ccc(CC[C@@]23CNC[C@@H]2CN(Cc2nc(-c4ccco4)no2)C3)cc1 1772709764 NFYRIYZZTRITOL-UTKZUKDTSA-N 364.449 2.984 0 50 FFAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)C2=CCCC2)CC3)n1 11785747 CLBBSZMOCDRGBU-GOSISDBHSA-N 353.466 2.745 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2ccnn2C)C1 11879839 SPQQKZJWCUWIJV-NRFANRHFSA-N 369.465 2.757 0 50 FFAA O=C(Nc1ccccc1F)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12195810 FOKGENUOVZUWDL-OAHLLOKOSA-N 359.376 2.930 0 50 FFAA CC(=O)Nc1ccnn1C1CCN(C(=O)CSc2ccccc2)CC1 12228126 YQEHWIHKOAHKPT-UHFFFAOYSA-N 358.467 2.797 0 50 FFAA CCOC(=O)C[C@H](CC(C)C)NC(=O)c1cn(C2CCCCC2)nn1 12468631 KSRWWXJKKNRBBJ-AWEZNQCLSA-N 350.463 2.881 0 50 FFAA CCc1c(C(=O)N2CCCCC2)c(=O)cc(C)n1CCN1CCCCC1 14964955 YMWITJKBVOBOSF-UHFFFAOYSA-N 359.514 2.831 0 50 FFAA CCOCCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 16650558 FGEXDBBNMYAZMJ-UHFFFAOYSA-N 352.862 2.735 0 50 FFAA CCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1F 19874793 RWWWTDVYMUONOP-UHFFFAOYSA-N 362.426 2.870 0 50 FFAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CC=Cc1cccc(F)c1 1857529815 CEXRLTGKSMXOPA-INIZCTEOSA-N 356.401 2.805 0 50 FFAA Cc1cc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c2cc(F)cc(F)c2n1 1857715730 FOLFOXLXOAMXPH-XIKOKIGWSA-N 358.392 2.893 0 50 FFAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)nc2ccccn12 1857729840 HLVUIAANLCYESB-CQSZACIVSA-N 368.462 2.739 0 50 FFAA COC1(C(=O)N2CC=C(c3ccccc3)CC2)CCN([C@H]2CCOC2)CC1 1857732430 QIEXGQMQRPCIGO-FQEVSTJZSA-N 370.493 2.572 0 50 FFAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccccc3-c3ccccc3)C[C@@H]12 1857733800 ZGXZZGLHHZLTJT-HBMCJLEFSA-N 370.518 2.513 0 50 FFAA COC1(CC(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCC1 252507939 WXUFKMJGQDWUMQ-GOSISDBHSA-N 373.497 2.751 0 50 FFAA C[C@@H](CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)C1CCCCC1 252510496 ZMBUKZLIAFVCFR-HNNXBMFYSA-N 367.511 2.675 0 50 FFAA COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1C(=O)O 262850455 DCVSFYANVXODFD-HUUCEWRRSA-N 369.373 2.907 0 50 FFAA CNCc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)nc2)cc1 160839682 UAMPPGWBHVGUHF-UHFFFAOYSA-N 352.482 2.967 0 50 FFAA CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]12)OCO4 33830929 IQUGPRHKZNCHGC-SESVDKBCSA-N 367.401 2.505 0 50 FFAA biogenic CCC[C@]1(C(=O)O)CN(C(=O)c2[nH]c3ccccc3c2Cl)CC[C@@H]1O 1704329590 WWDRGRVFPRDGTN-UGSOOPFHSA-N 364.829 2.899 0 50 FFAA Cc1cnc([C@H]2CCCN(C(=O)NC[C@H]3CNC(=O)C(C)(C)C3)C2)s1 2325800517 PCVQBVBXFBCEKA-KGLIPLIRSA-N 364.515 2.503 0 50 FFAA Cc1nn(-c2ccccc2)c(Cl)c1Cn1cc(C[C@H]2CCNC2)nn1 881099136 ZVJRDEVMOBPSOK-CQSZACIVSA-N 356.861 2.626 0 50 FFAA COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1Cl 1065508 MIOFASCQRPPSDL-NSHDSACASA-N 368.842 2.654 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 1113543 ADQWVFRYPVMXQV-QGZVFWFLSA-N 364.511 2.798 0 50 FFAA CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 1147854 KJCMUEQDEVKTMA-UHFFFAOYSA-N 350.415 2.647 0 50 FFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(Cc3ccc(O)cc3)n21 2356155952 PAZAZBJMSQVYJN-ZDUSSCGKSA-N 366.396 2.817 0 50 FFAA COc1ccc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc1 4512733 OFHDYDOUGBAQGH-CYBMUJFWSA-N 353.378 2.829 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 6760138 FCNGITDINMGTCP-SKDRFNHKSA-N 374.388 2.981 0 50 FFAA Cc1nn(C)c(Br)c1C(=O)Nc1ccc2nc(S)[nH]c2c1 225767837 NVBSNSLBGPWJKJ-UHFFFAOYSA-N 366.244 2.908 0 50 FFAA COc1cccc(N2CCN(c3nc(-c4ccccc4)cc(=O)[nH]3)CC2)c1 9096435 NMGFDUHYAXINFQ-UHFFFAOYSA-N 362.433 2.772 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(C)n2)[C@@H](CCO)C1 23373897 RSEWRAZCZAJDQD-NRFANRHFSA-N 369.509 2.858 0 50 FFAA C[C@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 55107627 NILQBGYRGNBCJX-CQSZACIVSA-N 365.437 2.841 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1-c1ccccc1 67804449 NNKNNDOGIGSOPX-PXNSSMCTSA-N 365.477 2.764 0 50 FFAA O=S1(=O)CC[C@H](Cn2ccnc2-c2cc(CN3CCCC3)cs2)C1 71761271 BRUAAIQLISVVGL-CQSZACIVSA-N 365.524 2.642 0 50 FFAA CC(C)c1nc2ccccc2n1CC(=O)N1CCO[C@H](C(F)(F)F)C1 71714650 UIALXXZIGCTADX-AWEZNQCLSA-N 355.360 2.949 0 50 FFAA COCC1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 11874442 FQSZMGQYSHPASC-GOSISDBHSA-N 350.503 2.690 0 50 FFAA Cc1nc(NCCN2CCc3ccccc3C2)cc([C@H]2CCCNC2)n1 67907962 XIRHIIOYMCUUJE-SFHVURJKSA-N 351.498 2.722 0 50 FFAA CC(C)c1cc(C(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)n(C)n1 67714412 ZMKYKGGAROMLCV-UHFFFAOYSA-N 365.437 2.574 0 50 FFAA O=C1CN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H]2CCCC[C@@H]2N1 151017360 XNMWVGJLBZQJEU-CGBFIWBNSA-N 371.481 2.607 0 50 FFAA COC(=O)c1cc(Cl)ncc1OCC(=O)N1c2ccccc2C[C@H]1C 328593124 CVESGVNBAUIITK-LLVKDONJSA-N 360.797 2.878 0 50 FFAA CCOc1ccccc1NC(=O)c1nc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 2770522 OTJSAQBFGVUCAE-MWLCHTKSSA-N 351.357 2.939 0 50 FFAA Cc1ccc(Cl)c(OCn2ccc(C(=O)NCc3cnn(C)c3)n2)c1 2802101 HGMINUJICZMXCV-UHFFFAOYSA-N 359.817 2.545 0 50 FFAA O=C1NCCN1[C@H]1CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 363925815 IDLPKGYVKIMWMA-KRWDZBQOSA-N 359.445 2.555 0 50 FFAA COc1cccc(F)c1C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 77539502 ZAPKJOPOGMSKEB-UHFFFAOYSA-N 370.424 2.936 0 50 FFAA O=C1[C@@H](n2nc(-c3ccco3)oc2=O)CCN1[C@@H]1CCCc2ccccc21 367398804 KOXBSNTUEMAILF-CVEARBPZSA-N 365.389 2.947 0 50 FFAA Cc1nc(CN2CCC[C@H](NC(=O)c3oc4ccccc4c3C)C2)no1 377672214 LSOOTJBWUMSGDR-AWEZNQCLSA-N 354.410 2.827 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 72169728 NYENWCLIRCDHAF-LJQANCHMSA-N 370.472 2.889 0 50 FFAA Cn1ccnc1[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333531054 QARCMOVFACELTQ-RHSMWYFYSA-N 355.442 2.736 0 50 FFAA CCCc1cc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)ccn1 72169202 BWWCPTOJZVIFOF-HXUWFJFHSA-N 365.477 2.998 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 215343048 SLSZQZLUGFXSEK-HNNXBMFYSA-N 351.516 2.781 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)Cc3ccc(C)c(C)c3)C2)CCC1=O 77407646 WJLXYHHAUQQQMP-QFIPXVFZSA-N 372.509 2.724 0 50 FFAA Cc1nn(CC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)c(C)c1C 216344611 CSNNJNGQGKAQOU-IBGZPJMESA-N 355.486 2.547 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)CCCc1cccs1)C2 72428407 BCYSMXBXPZYTRD-UHFFFAOYSA-N 361.467 2.717 0 50 FFAA O=C(COc1ncnc2ccccc12)NC[C@H]1CCN(c2ccccc2)C1 222535674 DFMASLZLRVRXJK-MRXNPFEDSA-N 362.433 2.651 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2ccnc(C)c2)CC1 82120259 GAZTZBXLGQTZNS-UHFFFAOYSA-N 354.502 2.981 0 50 FFAA CCOc1ccc(CC(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1 82109026 OCONZYCVIQKTEG-UHFFFAOYSA-N 352.434 2.812 0 50 FFAA O=C(c1ccc2ccccc2c1)N1CCC[C@H](Cn2cc(CCO)nn2)C1 20234426 ZEIZOINNXBXCOY-INIZCTEOSA-N 364.449 2.519 0 50 FFAA CC(=O)N[C@@H](C)Cc1c(C(=O)N(C)Cc2cc(C)[nH]n2)[nH]c2ccccc12 20201786 KELHNXPNILRYCQ-LBPRGKRZSA-N 367.453 2.539 0 50 FFAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccccc1-c1ncc[nH]1 220691063 NPKPDQKNOXJVLK-ROUUACIJSA-N 355.438 2.638 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1cnc(-c3ccccc3)s1)C2 82119970 DTRFTCLRQXTDIE-UHFFFAOYSA-N 367.478 2.659 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)NCCc2cccc(C(N)=O)c2)n1 178668054 LOBKBDOCFLICKG-GOSISDBHSA-N 352.438 2.578 0 50 FFAA CC(C)(C)c1cn(C[C@@H]2CCCN(C(=O)c3cnn4ccccc34)C2)nn1 48368519 MREBUWKPZKHEBQ-OAHLLOKOSA-N 366.469 2.776 0 50 FFAA CCN(Cc1noc(C2CC2)n1)C(=O)NCc1nc(-c2ccccc2)no1 426571390 DXOONEHOGREKIB-UHFFFAOYSA-N 368.397 2.729 0 50 FFAA Cc1nc(NC2CCN(C(=O)C3CCCC3)CC2)cc(C2CC(O)C2)n1 222274968 BZMOKTFHCSPLQM-UHFFFAOYSA-N 358.486 2.616 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NCCCC[C@@H]3CCCO3)CC2=O)c1 426399363 GLCHGWLWBHSNKO-LJQANCHMSA-N 373.497 2.698 0 50 FFAA CN(Cc1ccccc1CN1CCCC1)c1cc([C@@H]2CCOC2)nc(N)n1 426647443 ZXMNPBROHIEDDY-GOSISDBHSA-N 367.497 2.795 0 50 FFAA CCOC(=O)N1CCC(N2CCO[C@@H](Cc3cccc(OC)c3)C2)CC1 20168143 HQQDTKYJHHFFMS-IBGZPJMESA-N 362.470 2.559 0 50 FFAA CC(=O)N1CCCN(C(=O)NCCc2cccc(C(F)(F)F)c2)CC1 426563412 RSIHXGKHICZHKJ-UHFFFAOYSA-N 357.376 2.512 0 50 FFAA Cn1ccnc1-c1ccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cc1 426535750 XPXCCELMAAZUQD-OAHLLOKOSA-N 366.465 2.608 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)c2)nn1 426589897 BWWIPMOISPGCOV-LJQANCHMSA-N 367.449 2.598 0 50 FFAA Cc1ccc(-c2cc(-c3nc(C4CCOCC4)nn3CCO)[nH]n2)s1 96159703 URKPXIIRTFNTPD-UHFFFAOYSA-N 359.455 2.591 0 50 FFAA CCc1cc(N2CCC(N(C)C[C@@H]3CCCCO3)CC2)nc(N(C)C)n1 95520875 SFZCHRMMWMHEGN-SFHVURJKSA-N 361.534 2.575 0 50 FFAA CSCCN1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1 95524896 DKPOIOYZTDSKEA-UHFFFAOYSA-N 370.522 2.753 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)c1cc(C(=O)NC2CC2)ccn1 96141132 OHOMEMMPOKSMKR-MRXNPFEDSA-N 350.466 2.937 0 50 FFAA CCc1cc(N2CCC(NCC3CCOCC3)CC2)nc(N2CCCC2)n1 95503217 SJQRIGIFQUMVEJ-UHFFFAOYSA-N 373.545 2.624 0 50 FFAA Cc1ccc([C@@H](C(=O)NCCc2nc(C)c3c(n2)CCC3)N(C)C)cc1 95365217 WNAHBWKICVPGRK-FQEVSTJZSA-N 352.482 2.544 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@H](c3cccnc3)N3CCOCC3)CC2)c1 95362267 KBTDUNZZUVJSTH-FQEVSTJZSA-N 365.477 2.655 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91931322 LKAKTKGWSMFKTP-FUHWJXTLSA-N 361.449 2.695 0 50 FFAA C[C@@H](C(=O)NCc1nc2c(s1)CCCC2)c1n[nH]c(=O)c2ccccc12 244673673 HTODZLSOHDMKRN-LLVKDONJSA-N 368.462 2.678 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCC(F)(F)F)C3)cn1 244866347 VUJAQCJMZNWHMN-UHFFFAOYSA-N 354.332 2.708 0 50 FFAA Cc1cnc(C)c(N2CCN(C[C@H]3CCN(Cc4ccccc4)C3)CC2)n1 244773832 PHICGKDQJGCOLA-OAQYLSRUSA-N 365.525 2.738 0 50 FFAA Cc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccccc3N3CCCC3)C2)n1 253535249 MEVIEWYGHPCLEA-SHTZXODSSA-N 352.438 2.767 0 50 FFAA COCCn1cc(C(=O)N/C(=C/CSC)CO)c2cc(Cl)ccc21 252491703 LREYARYBXWVKCT-WLRTZDKTSA-N 368.886 2.910 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 860568469 BKTJBOFKEPAXDV-UHFFFAOYSA-N 361.492 2.709 0 50 FFAA COCCn1c(COc2ccc(Cl)cc2C)nnc1[C@H]1C[C@H](N)C1 252553188 VHLKGEQXNACIBD-MQMHXKEQSA-N 350.850 2.670 0 50 FFAA O=C(CC1(n2cccc2)CCCCC1)NCc1nnnn1-c1ccccc1 253413958 WCKKLVCITDRRAY-UHFFFAOYSA-N 364.453 2.830 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)cc1 534674656 YVXHUFORLKBRPB-HNNXBMFYSA-N 365.481 2.884 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)C[C@@H]1O 299788272 RPUQSPXBFNNTDI-SFTDATJTSA-N 363.461 2.972 0 50 FFAA Cc1cc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)cnc1C 584887747 VEVWKGZFRWHBII-QGZVFWFLSA-N 358.486 2.631 0 50 FFAA CNC(=O)[C@H]1C[C@@H](C)CN(C(=O)NCCc2ccccc2C(F)(F)F)C1 1875288743 APIKXVFJJVBTAL-OCCSQVGLSA-N 371.403 2.662 0 50 FFAA CCc1n[nH]c(CC)c1CC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 1875300922 WCEIUWYPEVCRBA-INIZCTEOSA-N 369.387 2.946 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 1875379275 PDHWRVAJAGQVPL-JIIJFUIFSA-N 361.486 2.829 0 50 FFAA O=C(O)c1csc(C[C@@H]2CCCN(C(=O)c3cc4cccnc4[nH]3)C2)n1 1875300701 NXPHRDDGKFXWGK-NSHDSACASA-N 370.434 2.813 0 50 FFAA C=CC(=O)N(CCC(=O)NC1CCCC1)Cc1nn(C)c2ccccc12 1875374134 BRTMYBWTMRAKJD-UHFFFAOYSA-N 354.454 2.537 0 50 FFAA COc1ccccc1[C@H](OC)C(=O)N=c1ccn(-c2ncccc2Cl)[nH]1 1875319140 QLUBZAYIGRRSBV-INIZCTEOSA-N 372.812 2.677 0 50 FFAA C=CC(=O)N1CCN(C(=O)Cc2cc(-c3ccccc3Cl)on2)[C@@H](C)C1 1875381566 ZNZZBTFFCVRIAG-ZDUSSCGKSA-N 373.840 2.783 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1cc(F)ccc1-c1ccoc1 1875402852 MKZBFHKXVYDHQH-UPRAQXHNSA-N 369.396 2.852 0 50 FFAA COc1ccc(NC(=O)CCn2cnc3ccccc32)cc1C(=O)N(C)C 952981516 ZPQCCWPADXKWMC-UHFFFAOYSA-N 366.421 2.776 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)c1ccc3c(c1)ncn3C)OCCO2 952861708 IPQWBSAZBQFCHM-UHFFFAOYSA-N 351.362 2.799 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1 886059660 PMCSPRZAACBWGE-MRXNPFEDSA-N 358.511 2.742 0 50 FFAA Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(CN3CCNC3=O)CC2)c1 893268132 AKJDNXIBBQYDFW-QGZVFWFLSA-N 372.513 2.681 0 50 FFAA Cc1ccc(F)cc1CN1CC[C@]2(O)CCN(C(=O)C3CCC3)C[C@@H]2C1 1565525754 QCANNCKECZZPMY-RXVVDRJESA-N 360.473 2.720 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1 1468880840 HPXLTGZGRIQRDZ-WBVHZDCISA-N 372.446 2.876 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)CC2)c1 408349493 JQSQKDJRHUHURS-UHFFFAOYSA-N 353.422 2.773 0 50 FFAA C[C@H](CN1CCCC1=O)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 188547683 HHBVOGLLMKPKCC-GFCCVEGCSA-N 352.394 2.564 0 50 FFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1cnc2ccccn2c1=O 1529089892 CKUZLSUBTZZZEA-UHFFFAOYSA-N 359.389 2.656 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529159139 PBXJCLJBORRWFC-IAGOWNOFSA-N 368.399 2.570 0 50 FFAA CCC[C@H]1CN(C(=O)COc2ccc(Cl)cc2C)C[C@@H]1NC(C)=O 219395166 GYYZBWUGXSNOHN-HOCLYGCPSA-N 352.862 2.790 0 50 FFAA COc1ccc(-c2nc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)c(C)o2)cc1 1772704903 IXPGYHZTCJKAEV-QRWLVFNGSA-N 372.421 2.582 0 50 FFAA CCC1=NO[C@@H](CN2CCCN(C(=O)c3csc(C(C)C)n3)CC2)C1 1772708947 DAZDLJIFRRZFHR-OAHLLOKOSA-N 364.515 2.969 0 50 FFAA O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12073502 RBWJGBDYEVXGPY-NRFANRHFSA-N 357.498 2.828 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1 14961189 YCOCIRCEJBOYPX-UHFFFAOYSA-N 367.453 2.621 0 50 FFAA Cc1nc(C)c(CN[C@@H]2CC(=O)N(CCCc3ccccc3)C2)nc1C 15078404 NWDRSYUSDFGKTF-LJQANCHMSA-N 352.482 2.725 0 50 FFAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)c1c[nH]cc1-c1ccc(F)cc1 1857527303 CHQVZLAYIIETCB-AGRHKRQWSA-N 368.412 2.587 0 50 FFAA C[C@@H](O)c1nc(-c2cc(C(F)(F)F)nn2C)n(-c2ccccc2F)n1 1857678131 BXIDUTVUJNXHLE-MRVPVSSYSA-N 355.295 2.879 0 50 FFAA Cc1nc(CN2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)cn1C 1857731468 RGNHDNIFHFMPFP-FQEVSTJZSA-N 353.470 2.582 0 50 FFAA Cc1[nH]nc(NC(=O)Cn2cnc3ccccc3c2=O)c1-c1cccs1 1875244832 WOZBJCXHDMMHMX-UHFFFAOYSA-N 365.418 2.795 0 50 FFAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc(O)n(C)c1=O 408095671 PBVAJGOBXOYTQV-QMMMGPOBSA-N 368.220 2.552 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1cccc(O)c1 222017359 WVMFHFOLJMZYJM-MSOLQXFVSA-N 369.465 2.663 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(C)cc3)C2)nn1 12245725 URZZOSFVHIYBTP-SFHVURJKSA-N 355.486 2.906 0 50 FFAA CCc1nc(CNC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cs1 363369570 OXTOZGBTWQHFGO-MRXNPFEDSA-N 357.479 2.555 0 50 FFAA O=C1NCCN(Cc2cnn(Cc3ccc(F)cc3)c2)c2ccccc21 811508116 ATFKJWAKPVTMPG-UHFFFAOYSA-N 350.397 2.821 0 50 FFAA Cc1cccc(C)c1-n1nnnc1SCC(=O)N1C[C@H](C)C[C@@H](C)C1 2872164 KIJXSSTZZCLSEO-CHWSQXEVSA-N 359.499 2.876 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cccc3c2NCCC3)CC[C@H]1O 2100483979 WGNFRXFIHJHEOC-DYESRHJHSA-N 374.481 2.759 0 50 FFAA Cc1nn2c(c1C(=O)N[C@H](C(=O)O)c1ccc(F)cc1F)CCC[C@@H]2C 2325798985 MSOMVBMPQNFZCU-FVMDXXJSSA-N 363.364 2.923 0 50 FFAA Cc1nc2ccc(S(=O)(=O)Nc3c(O)cccc3CO)cc2s1 2325841467 WLBVAWPAPKLABF-UHFFFAOYSA-N 350.421 2.603 0 50 FFAA O=C(CCC1CCC1)N[C@H]1CCN(C(=O)c2cc(O)ccc2Cl)C1 2325842531 AAQDJAPCFBCVET-ZDUSSCGKSA-N 350.846 2.957 0 50 FFAA CC(=O)NC[C@@]12CCC[C@H]1CCN2C(=O)c1ccc(-c2ccccn2)o1 2325849372 NCZGSWUNGJAYBT-YWZLYKJASA-N 353.422 2.863 0 50 FFAA CC[C@H](C)CC(=O)NCCN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 2325867997 LEUDCFSLBCDHCN-INIZCTEOSA-N 359.514 2.614 0 50 FFAA COC(=O)[C@H]1C[C@H](C)CN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 2325868917 QJBMJVGLHAMXEH-JSGCOSHPSA-N 359.401 2.591 0 50 FFAA CCN(CC)CC(=O)N[C@@H]1c2ccccc2CS(=O)(=O)c2ccccc21 638685 FSQJFCZVACUULT-HXUWFJFHSA-N 372.490 2.521 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 711689 CSGNXIHFSZDXLK-IBGZPJMESA-N 369.442 2.902 0 50 FFAA CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(O)c3)N2C1=S 754289 REVIXRQYULSBLA-WMZOPIPTSA-N 363.442 2.947 0 50 FFAA O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2ccco2)CC1 779531 VKCACSZTRCQGGW-UHFFFAOYSA-N 364.401 2.796 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 1201027 LDYKCMJAXRRUIP-UHFFFAOYSA-N 358.825 2.947 0 50 FFAA O=C(c1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2S1(=O)=O 2584130 BPMAISXJNFOUBS-UHFFFAOYSA-N 356.186 2.978 0 50 FFAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1ccc(-c3cnc4cccc(F)c4c3)cc1)C2 2356148045 DYZBBBCOHVIDOE-KXBFYZLASA-N 361.376 2.754 0 50 FFAA COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c(OC)c1 4513041 BAIWYNVLJOJSHE-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA CO[C@@](C)(CNC(=O)Nc1ccc(N(C)C(C)=O)nc1)c1ccccc1 417639184 LMUDNICIPQUDEI-IBGZPJMESA-N 356.426 2.748 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCN(C(C)C)C1=O 114656870 CQUISNRQBNKQJN-AWEZNQCLSA-N 361.442 2.997 0 50 FFAA CCN(CCOc1cccc(C)c1)C(=O)c1ccc(-n2cnnc2)nc1 55211434 NFFKFAGSUZMROJ-UHFFFAOYSA-N 351.410 2.512 0 50 FFAA CCO[C@@H]1C[C@@](O)(CNC(=O)N[C@H]2CCCc3sccc32)C1(C)C 248876466 FKKMXNBQXLVMEH-JCKWVBRZSA-N 352.500 2.991 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(-c2nc[nH]n2)cc1 67542050 DBPXIFMJWBQFOC-UHFFFAOYSA-N 350.407 2.749 0 50 FFAA CCCNC(=O)N1CCc2c(cnc(C)c2-c2noc(COC(C)C)n2)C1 20452538 TWPAMRHCKWQFOD-UHFFFAOYSA-N 373.457 2.843 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@H]3CCCCCN3C)CC2)c1 67908203 FNQHCQVULRJVDY-HXUWFJFHSA-N 374.525 2.713 0 50 FFAA CN(Cc1ccccc1-n1cccn1)c1nc(CCN)nc2ccccc12 65490090 QEAHLFAKHAATAI-UHFFFAOYSA-N 358.449 2.953 0 50 FFAA CC1(C)COC(=O)[C@@H]1OC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 119439239 SRFPARPPSDXNOX-ZDUSSCGKSA-N 368.311 3.000 0 50 FFAA Cc1cccc(OCC(=O)NCc2ccccc2CN2CCOCC2)c1 23955949 BUKQTQXAQMWDTQ-UHFFFAOYSA-N 354.450 2.522 0 50 FFAA COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 252475173 VGHADYOSDGHEMS-IYVPYFHTSA-N 373.405 2.722 0 50 FFAA O=C(Cc1ccccc1O)N[C@H](CO)c1ccccc1OC(F)(F)F 252509759 YUWMLBXPNJSYRQ-CYBMUJFWSA-N 355.312 2.683 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1csc(-c2cccs2)n1)C(=O)O 67490249 YNZOJERMBWRBMA-GFCCVEGCSA-N 362.436 2.767 0 50 FFAA Cc1nn(C)c(C)c1CN(C)[C@H]1CCc2c(c(C(=O)O)nn2CC(C)C)C1 67840071 OZVBZECPHVSLNH-HNNXBMFYSA-N 373.501 2.577 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)CC1 67804612 RGQSMPLPUJOHTH-INIZCTEOSA-N 370.428 2.943 0 50 FFAA COc1ccc([C@@H](C)CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)cc1 328645321 ZOINOPCUGIRVBH-XXHMAFKTSA-N 370.497 2.650 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(C(=O)C(C)(C)c3ccccc3)C2)n1C 72476634 XWGLOADCIDYWJR-MRXNPFEDSA-N 369.513 2.561 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCCN(C(=O)CCCc3cn[nH]c3)C2)cc1 72158816 KDFIFFCDWCNLEC-MRXNPFEDSA-N 355.438 2.912 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)nn2c1 216498948 HSXSWKLUMNNYGZ-LBPRGKRZSA-N 360.849 2.732 0 50 FFAA CC(C)Oc1ccc(NCC(=O)N[C@@H](C)c2cccs2)cc1C(N)=O 253432108 WJYCCFYCOAZJDT-LBPRGKRZSA-N 361.467 2.924 0 50 FFAA O=C(NCCCCN1CCCCCC1)[C@H]1CCC(=O)N(C2CCCC2)C1 39550658 PFCWRKAJWFLEHV-SFHVURJKSA-N 363.546 2.940 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 237959739 XQDFXQOHZYEZFP-AWEZNQCLSA-N 359.401 2.657 0 50 FFAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1ccc2[nH]c3c(c2c1)CCCC3 71750652 FDUYBFFRDWGITP-AWEZNQCLSA-N 358.463 2.611 0 50 FFAA CC(C)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)C(=O)O 262211629 JUBPVRQLPCZUBH-UHFFFAOYSA-N 373.306 2.871 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1cnc(N2CCCCC2)nc1 77451939 ICXMUSYKBUXTEI-IBGZPJMESA-N 371.529 2.834 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)cc2nc1C 223383429 RHMAYWPXAHTPJN-MOPGFXCFSA-N 355.438 2.561 0 50 FFAA CCc1cnc(CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)s1 175467595 PHGZQLQWSOYXCF-NSHDSACASA-N 352.481 2.850 0 50 FFAA Cc1cccnc1OC1CCN(C[C@H](O)COCc2ccccc2)CC1 289345795 GMKHFHVEAHYKJT-IBGZPJMESA-N 356.466 2.811 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)NCc3ccc4nonc4c3)CC2)n1 426602531 PNRFUZKECSWXJJ-UHFFFAOYSA-N 370.413 2.818 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3ncc(C(=O)O)cc3Cl)cc2)CC1 426511685 NDYPODASNGWCKM-UHFFFAOYSA-N 373.840 2.878 0 50 FFAA COc1ccc(CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 82156706 SQMAFWRDMMCKSL-UHFFFAOYSA-N 368.481 2.962 0 50 FFAA CC(C)(C)N1C[C@@H](CNC(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O 426425483 RQRVGTBSLWMRDS-OAHLLOKOSA-N 373.497 2.928 0 50 FFAA Cc1ccc2nc(C(=O)NCc3nc(-c4ccccc4F)no3)cn2c1 91562773 PLANOMDOAGTWRC-UHFFFAOYSA-N 351.341 2.762 0 50 FFAA CC(C)N1CCC2(CC[C@H](CNC(=O)CSc3ccncc3)O2)CC1 426563524 TUVNIAZTYXRKIQ-MRXNPFEDSA-N 363.527 2.712 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cs1 91725339 CWENELAIKCQHCQ-FQEVSTJZSA-N 374.506 2.744 0 50 FFAA Cc1ccc(-c2ccnc(N3CCC(NCc4cc[nH]n4)CC3)n2)c(C)n1 96164562 DTYLXAJWSXQVGY-UHFFFAOYSA-N 363.469 2.637 0 50 FFAA C[C@@H](CNC(=O)c1cnc(CSc2ccccc2)nc1O)n1ccnc1 91655824 FTRLHNGXBLUNCX-ZDUSSCGKSA-N 369.450 2.662 0 50 FFAA COc1ccc(Cc2nc(CCc3cnn(C)c3)n(-c3ccccn3)n2)cc1 96140207 GWBAZZIIMAFBGJ-UHFFFAOYSA-N 374.448 2.780 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 91645473 CDALTLCEIPBDHB-KRWDZBQOSA-N 353.470 2.865 0 50 FFAA CN(CC(=O)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1)c1ccccc1 91519261 MMUICJFNOIGCRG-QFIPXVFZSA-N 369.509 2.907 0 50 FFAA COc1ccc(Cl)c(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1 294676340 SDUNJFQRCHUQIO-MRXNPFEDSA-N 371.886 2.928 0 50 FFAA O=C(NCc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccco2)C1 95371287 XMNGIUAPDRCMQG-SFHVURJKSA-N 364.449 2.994 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)O 236602852 NKEILEYWIPSLQD-RLFYNMQTSA-N 362.470 2.525 0 50 FFAA Cc1nc(C)c(CC(=O)NC2CCN(C3CCSCC3)CC2)s1 97742950 AAVKDSCEKVFHOQ-UHFFFAOYSA-N 353.557 2.779 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(CCOCc1ccccc1)C2 91973738 ZKPRCELSOVQCEV-WOJBJXKFSA-N 365.477 2.835 0 50 FFAA O=C(CCc1cccc(O)c1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244594286 DJZDPVPZCGMEOI-ZWCUEREDSA-N 367.445 2.888 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)CCCc1nc(-c2ccncc2)no1 244719042 LVVWXDOLGAARPU-UHFFFAOYSA-N 355.398 2.718 0 50 FFAA O=C(NCc1ccccc1N1CCOCC1)N1CCCC[C@H]1c1cn[nH]c1 182509287 TVPGRFBDRUUKRN-IBGZPJMESA-N 369.469 2.683 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c[nH]nc1-c1ccccc1F 299794148 IHGKIOAHXFKVBI-HNNXBMFYSA-N 372.444 2.589 0 50 FFAA COCCN1CCN(C(=O)c2cccc(-c3ccc(Cl)cn3)c2)CC1 299758623 JYKZPERBFKYFNM-UHFFFAOYSA-N 359.857 2.806 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccc(O)cc3)CC2)cc1 825168565 VNCASIVXWNDBPP-UHFFFAOYSA-N 352.434 2.869 0 50 FFAA CCCN1C[C@@H](NC(=O)CSC23CC4CC(CC(C4)C2)C3)CC1=O 822919221 TYTPUZARLZRIPY-DZPQGLOJSA-N 350.528 2.816 0 50 FFAA CCCn1cnnc1CN(C)C(=O)NCCCc1nc(C)c(C)s1 584900631 WULNVNKJBZKYEI-UHFFFAOYSA-N 350.492 2.536 0 50 FFAA Cc1c(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)nc(O)c2ccccc12 1875279566 YORVLJFCKMJJIN-JOCHJYFZSA-N 373.412 2.985 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnc4ncccn34)cc2F)n1 1875322752 FZIMHISQFVIRCN-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA COC(=O)Cc1ccc2cc(OC[C@@H]3C[N@@]3Cc3cnn(C)c3)ccc2c1 1875385372 RQTKQRDXXVBXBG-YADARESESA-N 365.433 2.552 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1875373831 QAGKDKRFOCCSMB-OAHLLOKOSA-N 372.371 2.847 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccc(F)cc3)nn(C)c21 1875401654 NWVKTYLDKMBUAX-OLZOCXBDSA-N 361.417 2.732 0 50 FFAA C[C@H]1Cc2cc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)ccc2O1 952989723 XZEOHLWPRIKLTC-LBPRGKRZSA-N 360.435 2.658 0 50 FFAA Cn1cccc1-c1cc(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)n[nH]1 952972046 NSCVHCFQAIZWJF-HNNXBMFYSA-N 367.453 2.650 0 50 FFAA CCOc1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1OCC(=O)O 268933948 ZSUVFUHRPNNEKU-MRXNPFEDSA-N 355.390 2.966 0 50 FFAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2sc(C)nc2C)cc1 887900485 PXNVREMAKUYENW-GOSISDBHSA-N 373.522 2.801 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)cc1F 269414485 GYGIAVOAPXJDQS-INIZCTEOSA-N 373.428 2.764 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1cnc2c(c1)CCC2 1565525623 RTQVWCCOWFXAFW-OALUTQOASA-N 356.397 2.676 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1O)c1ccccc1 1565528083 KFBLMPRJUSLTCP-ROUUACIJSA-N 362.832 2.844 0 50 FFAA CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)cc1 274407277 UQRAPFAOZXRVPN-ZDUSSCGKSA-N 374.462 2.844 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CC(C)(C)OC(C)(C)C2)C1 188199520 BBWOVEXUANINNV-HNNXBMFYSA-N 361.486 2.873 0 50 FFAA O=C(O)c1csc(NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 191372674 BSRMWFZUQOCFLV-ZDUSSCGKSA-N 358.419 2.937 0 50 FFAA C[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCC(Cc2ccccc2)CC1 193998609 SVDCFFUFVDYCHK-HNNXBMFYSA-N 368.481 2.906 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCC[C@H](CS(C)(=O)=O)C2)CC1 1529178538 NFMWRLGNMYUTGB-INIZCTEOSA-N 368.518 2.860 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccc(O)n2)CC1 1704344684 VQJLROJKBFSGRX-UHFFFAOYSA-N 354.406 2.500 0 50 FFAA CCCOc1ccc(C(=O)N(CCO)Cc2[nH]cnc2C)cc1Cl 1704305976 SNOVXMKBPSTKDP-UHFFFAOYSA-N 351.834 2.795 0 50 FFAA C[C@H](SCc1ccc(Cl)cc1)C(=O)N(CCO)Cc1ncc[nH]1 1704312071 YPFNRCLUGHSQPO-LBPRGKRZSA-N 353.875 2.706 0 50 FFAA CCC[C@@H](CO)NC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704328554 LKTZIJIMTWPMID-HNNXBMFYSA-N 373.453 2.841 0 50 FFAA CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)NC1=S 1182138 KYQMNBJXRIVTHI-YBEGLDIGSA-N 368.414 2.651 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1onc2ncccc12 1775983705 RTSITZBCISUOMM-INIZCTEOSA-N 351.410 2.575 0 50 FFAA COC[C@@H](C)NC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 11782628 YHIAPRCJFJFXSU-SNVBAGLBSA-N 360.439 2.970 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 12433027 HVOFQVQQBIOIMU-NRFANRHFSA-N 374.456 2.976 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cc1 12716826 FDNQRWQDMWVLPG-OAQYLSRUSA-N 356.441 2.777 0 50 FFAA COC(=O)[C@@H](C)Sc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1 13143672 UCXXJLNIMLUELP-MRVPVSSYSA-N 364.814 2.828 0 50 FFAA Cc1ccccc1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779692 AYTVOIWXONPTNV-UHFFFAOYSA-N 362.433 2.889 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)cc1C 1857668898 GBIFYUUSDUBBFW-GHTZIAJQSA-N 361.482 2.574 0 50 FFAA CN(Cc1sc2ccccc2c1Cl)C(=O)c1cc(-n2cnnn2)n[nH]1 1857681010 ZHLCRHXGTFTPOQ-UHFFFAOYSA-N 373.829 2.526 0 50 FFAA COCCn1cncc1CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857695247 ATRITPQOARVZNF-UHFFFAOYSA-N 365.481 2.531 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(N(C)C)cc2C)cn1 1857696449 ARMSQWQEFSWFMF-UHFFFAOYSA-N 366.469 2.636 0 50 FFAA Cc1ccc(N2CCC(N[C@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)CC2)cc1 1857722601 JJEBGPJJXAXMKS-ILWGZMRPSA-N 355.526 2.805 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@H](c4ccc(F)cc4)[C@@H](C(=O)O)C3)cc2[nH]1 220254737 YPGTUGKGGRYBQS-CVEARBPZSA-N 367.380 2.951 0 50 FFAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 246681776 HFLNGBQDBVEZEJ-OAGGEKHMSA-N 357.454 2.691 0 50 FFAA Cc1ccccc1-n1nc(C)c2cc(C(=O)N[C@@H]3CCN(C)C3=O)sc21 155182401 KJZLSCZDXQKUTK-CQSZACIVSA-N 368.462 2.664 0 50 FFAA Cc1ccc(O[C@@H](C)C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c(Br)c1 263292975 MLKBTMNEKYMLBM-GARJFASQSA-N 356.216 2.504 0 50 FFAA O=C1N[C@H](CC2CCOCC2)C(=O)N1CCOc1ccc2ccccc2c1 904134351 BUKBCTOPRMIJRN-LJQANCHMSA-N 368.433 2.956 0 50 FFAA CC[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2cccc(Cl)c2F)C(=O)O)CCO1 2325793450 VDXAERSFRPCILG-SCRDCRAPSA-N 357.809 2.796 0 50 FFAA N[C@H](CO)c1ccc(-c2cccc3c2OCCNC3)cc1C(F)(F)F 2325798820 BWYGYRUFMJUUOS-MRXNPFEDSA-N 352.356 2.847 0 50 FFAA CC(C)(C(=O)O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 2325829918 WENUXXWIFLMIAQ-INIZCTEOSA-N 355.390 2.995 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cscc2Br)C1 2325888416 QZCFHUUDAWBLMH-SNVBAGLBSA-N 357.273 2.551 0 50 FFAA O=C(O[C@@H]1CN2CCC1CC2)C(CO)(c1ccccc1)c1ccccc1 622138 VHKOZTIPJRRUQY-HXUWFJFHSA-N 351.446 2.602 0 50 FFAA CO[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 810723 RPTLLDHWIFOWPQ-SFHVURJKSA-N 374.462 2.797 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1OC 881638 GKQWICHAMCHZND-UHFFFAOYSA-N 359.451 2.897 0 50 FFAA CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(O)cc3)N2C1=S 22204783 VGOUBOHLRURATQ-FUHWJXTLSA-N 363.442 2.947 0 50 FFAA COc1ccc(-c2ccc(S(=O)(=O)NCCN(C)C)cc2C)cc1F 2356139026 KCRAMXNGKPTDOD-UHFFFAOYSA-N 366.458 2.650 0 50 FFAA Fc1cccc(-c2ccc(N=c3cccc(N4CCNCC4)[nH]3)nc2)c1F 2356151460 JHEQHUYYJOVSLJ-UHFFFAOYSA-N 367.403 2.997 0 50 FFAA CCc1noc(C)c1CN(Cc1nccn1CC)[C@H]1CC12CCNCC2 461482431 BJGPHRMUCZOVNS-SFHVURJKSA-N 357.502 2.906 0 50 FFAA Cn1c2ccccc2c2cnn(CC(=O)Nc3ccc(F)cc3F)c(=O)c21 4915361 FVSHKNXNSPYVRA-UHFFFAOYSA-N 368.343 2.805 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1C 23358686 SGPXHWRXOFUCPE-FQEVSTJZSA-N 374.504 2.809 0 50 FFAA Cc1[nH]c2c(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)cccc2c1C 108007442 UWTFPVXLJWAXSS-JOCHJYFZSA-N 368.525 2.913 0 50 FFAA CCc1ccccc1N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 55414509 SOGGKJKZOXKBGZ-UHFFFAOYSA-N 357.498 2.737 0 50 FFAA CN1CCN(Cc2ccc3cccc(Cl)c3n2)C[C@@]12CCNC(=O)CC2 107421866 KGHFPKDMVPDQKW-HXUWFJFHSA-N 372.900 2.675 0 50 FFAA CCCN1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)CC1 59924873 JKEJYHXFTRJDPE-UHFFFAOYSA-N 365.380 2.700 0 50 FFAA CC(C)c1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2C)cc1 12401739 NPPPAQHDLFSFKZ-UHFFFAOYSA-N 357.439 2.511 0 50 FFAA biogenic,in-vitro CCS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@H]2C[C@H](C)O)cc1 332376723 WWVALZYIDKHZBB-RDJZCZTQSA-N 367.511 2.565 0 50 FFAA C[C@H]1CCCCN1C1CN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65373721 AOMKNGHCNBVKRX-INIZCTEOSA-N 367.497 2.731 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1nc3ccccc3[nH]1)C2 67740941 WDCLNYUUOCDHMY-ZDUSSCGKSA-N 367.453 2.857 0 50 FFAA Cc1ccc(/C=C/S(=O)(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)cc1 328627577 MYBUJLQRRYGRSG-JLLINPMKSA-N 361.467 2.539 0 50 FFAA Cc1sc2ncc(C(=O)NCCSc3ccccc3)c(=O)n2c1C 61721094 BOBBZSXSGFJNRD-UHFFFAOYSA-N 359.476 2.895 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC([C@H]2N=C(O)C2(C)C)CC1 329310677 CIUVZDICBXUWQI-OAHLLOKOSA-N 371.441 2.601 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c1C 71681881 SWWHRFHKZRXUPM-QGZVFWFLSA-N 360.433 2.671 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)n1C 72440443 DHCXZECROIGVNM-GFCCVEGCSA-N 368.407 2.675 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c2nccn21 333427599 SZVPOVILUUBYLP-QXCFHYIPSA-N 365.481 2.805 0 50 FFAA Cc1nc2ccccn2c1C(=O)N1CCC(OCc2ccccn2)CC1 219662144 YKGLUHLFSFRCDI-UHFFFAOYSA-N 350.422 2.859 0 50 FFAA Cn1cc(/C=C/C(=O)N(CCC(=O)O)C2CCOCC2)c2ccccc21 237751666 QSGPTIIGIJPUOK-VOTSOKGWSA-N 356.422 2.674 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F 237938092 ZTVLMXCEHBAUBZ-ZDUSSCGKSA-N 362.401 2.812 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)n2)cc1 371170180 MLXRQSBBDVDVNA-UHFFFAOYSA-N 351.410 2.624 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCN3CCCC[C@@H]3CO)c2c1 77391861 VIRLLAVPLWATCN-QGZVFWFLSA-N 355.482 2.682 0 50 FFAA O=C(NCCN1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)c1ccccc1 77385450 SQBQNAXRPLLCGQ-JOCHJYFZSA-N 369.509 2.531 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)Cc3cc(C)no3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72150482 AOFOGJVZFUVOII-KSEOMHKRSA-N 365.477 2.923 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(OC)cc3)C2)cn1 72158786 WRFVQFFJSKMRPI-MRXNPFEDSA-N 355.442 2.634 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)C[C@@H]1CCCO1 71748104 SJKBOQPNFZDHPU-INIZCTEOSA-N 358.486 2.817 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)CCc2cc(Cl)no2)CC1 72477514 YIPULDCBGFATLD-UHFFFAOYSA-N 362.861 2.779 0 50 FFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)nn2)nc1 82230272 DQELTUDDMINGIS-UHFFFAOYSA-N 354.458 2.618 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](OCc2ccccn2)C1 82121036 SBNYWXVNAVRGNU-SFHVURJKSA-N 368.433 2.951 0 50 FFAA CCc1c(C)nn(CC(=O)N[C@@H]2CCCN(Cc3cccnc3)CC2)c1C 82166845 GWEATPHRQHAFJK-LJQANCHMSA-N 369.513 2.628 0 50 FFAA CC(=O)CCc1ccc(OCC(=O)N2CC(=O)N(C)c3ccccc32)cc1 178185568 SGOOMVORGKTAHF-UHFFFAOYSA-N 366.417 2.597 0 50 FFAA CC1(C)NC(=O)N(CC(=O)N2CCCCC[C@H]2c2cccc(F)c2)C1=O 222908761 ATXNHAYEFZLTQS-HNNXBMFYSA-N 361.417 2.600 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cccc(OC)c2C)CC1=O 82092573 YPUVPIWARDSWMD-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cnc2ccccc2c1 222704545 PYZJKEWORGDKPZ-MSOLQXFVSA-N 369.446 2.795 0 50 FFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1c[nH]nc1-c1ccccc1)CC2 426473068 ZTPACTZPGFWTPU-SVFBPWRDSA-N 371.481 2.598 0 50 FFAA O=C(NCCCc1ccccn1)N1CCN(C2Cc3ccccc3C2)CC1 426479169 YWJVRKDMZFXKKA-UHFFFAOYSA-N 364.493 2.509 0 50 FFAA CC(=O)c1sccc1-c1ccc(C(=O)NC[C@H]2COCCN(C)C2)cc1 426530617 VWVBLXYJYGPXQJ-OAHLLOKOSA-N 372.490 2.926 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@@H](n3cccn3)C2)[C@H]1c1cccc(Cl)c1 291174509 KDJBBGGXJJYXFM-SOLBZPMBSA-N 372.856 2.530 0 50 FFAA CC[C@H](NC(=O)N1CCN(c2ccc3nccn3n2)CC1)c1cccs1 426414818 VICUCGSOTTZCGV-AWEZNQCLSA-N 370.482 2.774 0 50 FFAA CCCc1cc(N2CCC(N[C@H]3Cc4ccccc4[C@@H]3N)CC2)nc(C)n1 96130501 DOHPLKVAIWSURE-UNMCSNQZSA-N 365.525 2.921 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)CC2)nc1 91872901 ZUBRSXCOWKVIFP-UHFFFAOYSA-N 366.421 2.805 0 50 FFAA O=C1CCC2(CCN(CCc3ccccn3)CC2)CN1C[C@@H]1CCCO1 91602568 PPACYCXLVOVANZ-IBGZPJMESA-N 357.498 2.508 0 50 FFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3cn4ccccc4n3)[nH]c2C1 95367049 JQDRODFUZYWSSP-CYBMUJFWSA-N 373.416 2.803 0 50 FFAA CSCCc1nc(CSc2nncn2C)n(Cc2ccccc2C)n1 96153182 AGENICOUWSJXRE-UHFFFAOYSA-N 374.539 2.961 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 91410025 OJLVEAVEFMVJIX-INIZCTEOSA-N 373.453 2.567 0 50 FFAA Cc1cc(C(=O)N(C)Cc2nccn2Cc2ccccc2)c(=O)[nH]c1C 91679231 YGRUNQPBAJEZIR-UHFFFAOYSA-N 350.422 2.509 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](c2nccn2CC)C1 95502847 ICAFGROTBOWFIM-INIZCTEOSA-N 356.470 2.954 0 50 FFAA O=C(c1ccccn1)N1CCC(c2nccn2Cc2cscn2)CC1 95509965 SUWPJLFSUCMQKZ-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 95378588 YMNIMCYKONUNFR-QXAKKESOSA-N 373.403 2.964 0 50 FFAA O=C(c1cnc(N2CCCC2)nc1)N1CCC(c2cccc(O)c2)CC1 97657318 BTUXOTMJSYCVSU-UHFFFAOYSA-N 352.438 2.802 0 50 FFAA CC(C)[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@H]1C(=O)O 91737463 IAPWMKZRFDIEJO-LSDHHAIUSA-N 352.862 2.635 0 50 FFAA CC[C@@H](NC(=O)c1cc2c(nc1OC)CCC2)c1cn2cccnc2n1 91575019 OYORNYQNVWBUCG-CQSZACIVSA-N 351.410 2.503 0 50 FFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3[nH]c4ccccc4c3Cl)C2)nc(N)n1 244884387 YLNAKIRLUBJFKA-AOOOYVTPSA-N 370.844 2.911 0 50 FFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1cccc2[nH]ccc12 252550829 SYIKSBOKFVLCDM-QGZVFWFLSA-N 362.389 2.822 0 50 FFAA CC1(C)C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)C(C)(C)O1 185296771 PGGYFYCJSSMDQP-MRXNPFEDSA-N 352.500 2.662 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCCc3nc4ccccc4[nH]3)n2)c1 72426703 KPCIHLQROQCIRI-UHFFFAOYSA-N 360.377 2.768 0 50 FFAA COc1ccccc1-c1cccc(NC(=O)NC[C@]2(O)CCCNC2)c1 299771795 UUQSUKHRTYYPDN-FQEVSTJZSA-N 355.438 2.598 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NCc3ccno3)CCCCC2)cc1 299795070 LJSJZKCGGNYBRJ-UHFFFAOYSA-N 362.451 2.596 0 50 FFAA CCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(Cl)ccc1OC 823086688 ULSSGTKVHVDAQR-UHFFFAOYSA-N 357.863 2.776 0 50 FFAA Nc1nc(CCCNC2CCN(C(=O)c3cccs3)CC2)cs1 827597702 BCEUHSLBXZVBLC-UHFFFAOYSA-N 350.513 2.614 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)NCc2csc(-c3ncccn3)n2)on1 584888245 ZKLPGKKGQAKTRQ-ZDUSSCGKSA-N 370.438 2.943 0 50 FFAA Cc1cc(OCc2cccnc2)ccc1NC(=O)[C@@H]1CCCC(=O)N1C 1875296935 VQEXGQJOCLHERF-SFHVURJKSA-N 353.422 2.918 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CC(C)(C)Oc3ccccc32)C1 1875379401 TVKGIUZCBAQZAN-JKSUJKDBSA-N 356.466 2.872 0 50 FFAA CN(C(=O)c1cncc(NCC2CC3(CCOCC3)C2)n1)C1[C@H]2CCC[C@H]12 1875361377 YCZZTYPYMHHWLQ-HOTGVXAUSA-N 370.497 2.966 0 50 FFAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)CCc2ccc(F)cc2)C1=O 952978704 SQNKXTCHEBJDKQ-LBPRGKRZSA-N 355.369 2.842 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCn1c(C)cccc1=O 952991198 ZZFPSFUBESIMBZ-UHFFFAOYSA-N 368.393 2.553 0 50 FFAA NC(=O)[C@@H]1CC(C(=O)Nc2cccc(-n3cccc3)c2)=NN1c1ccccc1 170620419 SQLNLSDVKBNOSW-IBGZPJMESA-N 373.416 2.536 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)c1ncc[nH]1 170617838 XJHMXQLFVXRTPE-CQSZACIVSA-N 356.426 2.636 0 50 FFAA COc1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)ccc1NC(C)=O 171521180 KHVLHNLKYKKDPB-MRXNPFEDSA-N 360.458 2.746 0 50 FFAA O=S(=O)(C[C@@H]1CCCO1)NC1CCC(Oc2ncccc2Cl)CC1 188615209 MINYKTGLCXPFLR-RUXDESIVSA-N 374.890 2.523 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnn2c1CCCC2 190797796 GYUUAJBKYMDWDR-UHFFFAOYSA-N 363.364 2.615 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N(Cc1ccccn1)C[C@H]1CCCO1 1506406086 YPYXOTKFFORZFB-QGZVFWFLSA-N 368.481 2.824 0 50 FFAA COc1cccc(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)c1 222323776 MJBFHOIOCLNBOA-MSOLQXFVSA-N 355.390 2.644 0 50 FFAA CCC[C@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C[C@@H]1NC(C)=O 222446560 ADAVHOBPLRKMQS-YOEHRIQHSA-N 357.454 2.564 0 50 FFAA Cc1ccc2cc(CO)c(N3CCCN(C(=O)C4CCC4)CC3)nc2c1 1772811296 SUVOBWRPRQSMIM-UHFFFAOYSA-N 353.466 2.874 0 50 FFAA CN1CCCC[C@@H]1C(=O)N1CCCN(c2ccc3ccccc3n2)CC1 1772805147 IKEPUZYIINVWCG-LJQANCHMSA-N 352.482 2.758 0 50 FFAA Cc1ncsc1C(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 11840045 RGRXIPDLRHSIMR-HNNXBMFYSA-N 357.483 2.620 0 50 FFAA Cc1cc(CN(C)C(=O)C2(N3CCCCC3)Cc3ccccc3C2)n[nH]1 11936763 OEXAEPAIYUOYCO-UHFFFAOYSA-N 352.482 2.700 0 50 FFAA CC(=O)Nc1ccnn1C1CCN(C(=O)Cc2cc(F)ccc2F)CC1 12031374 AHHRHVVTKPGLFF-UHFFFAOYSA-N 362.380 2.526 0 50 FFAA O=C(NCc1cccnc1)C1CCN(C2CCN(C3CCCC3)CC2)CC1 12435530 LGRKOCIJXCMZRC-UHFFFAOYSA-N 370.541 2.817 0 50 FFAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccnn1C 12756129 YHRJDYPRTBUIBR-UHFFFAOYSA-N 358.461 2.586 0 50 FFAA COc1ccc(CCNc2ccc3nnc(C(F)(F)F)n3n2)cc1OC 13104469 WMLUUCQFEAJUKV-UHFFFAOYSA-N 367.331 2.815 0 50 FFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 14957977 PMAPPHMTHHEGBZ-UHFFFAOYSA-N 359.445 2.947 0 50 FFAA CCCc1nnc(N2C[C@H](C(=O)NCCC3=CCCCC3)CC2=O)s1 1857709198 KKUKLVAHRVGHGF-CQSZACIVSA-N 362.499 2.850 0 50 FFAA CCc1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)on1 1857737666 YCIOXTUIWNWVHG-FQEVSTJZSA-N 368.437 2.730 0 50 FFAA Cc1csc(N2CCN(C(=O)Nc3cn(C)nc3C(F)(F)F)CC2)n1 331640586 IYNXZQNGAYQCIJ-UHFFFAOYSA-N 374.392 2.558 0 50 FFAA CC(C)c1nc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1-c1ccccc1F 128630724 NSBJJUAUUJUWJI-CQSZACIVSA-N 360.389 2.609 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(Br)ccc1F 238105385 QSMOQQXCMDIKKT-LLVKDONJSA-N 374.206 2.684 0 50 FFAA O=C(c1cn(C2CCN(Cc3ccccc3F)CC2)nn1)N1CCCCC1 11782792 AFDWPGHRSUNFLV-UHFFFAOYSA-N 371.460 2.880 0 50 FFAA COc1cc(-c2noc(C[C@@H]3CCCCNC3=O)n2)ccc1OC(C)C 377439224 YUHXDQWEVZJCRK-AWEZNQCLSA-N 359.426 2.991 0 50 FFAA O=C(Nc1cccc(N2CCCC2)c1)N1CCC[C@@H](Cn2ccnn2)C1 162930339 OQFFMDGRVVYNAL-MRXNPFEDSA-N 354.458 2.822 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CCCN(C(C)=O)CC3)ncnc21 2100556360 KOKCPHFYNHFCNZ-UHFFFAOYSA-N 372.517 2.884 0 50 FFAA O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@H]1CCC[C@H](O)C1 2325722025 UIGSRDNYXMOVNV-HKUYNNGSSA-N 352.434 2.753 0 50 FFAA O=C(Nc1ccc(Nc2nccc(-n3cccn3)n2)cc1)[C@H]1CCCO1 2325733790 AXZNZVIKZKPEDG-OAHLLOKOSA-N 350.382 2.523 0 50 FFAA Cc1c(-c2nc([C@H]3CCC(=O)N(c4ccccc4)C3)no2)cnc2ccnn12 2325787176 HGYCSOJNCWVCHI-AWEZNQCLSA-N 374.404 2.998 0 50 FFAA CC[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)C1(C)C(C)(C)C1(C)C 2325794085 PWUGJQUVQMCYOM-GJZGRUSLSA-N 354.535 2.773 0 50 FFAA c1cc(N2CCC[C@@H](Cc3nccs3)C2)nc(N[C@@H]2CCCNC2)n1 2325800622 XZUUOUJAJBBCAZ-LSDHHAIUSA-N 358.515 2.556 0 50 FFAA CC(C)(C)[C@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(-n3ccnc3)ccc2O)C1 2325851849 LJHDOMHARYJFGR-BBRMVZONSA-N 371.437 2.929 0 50 FFAA Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@@]1(c2ccccc2)CCNC1 2325856695 ZQHRYWGPJWJVRA-NRFANRHFSA-N 364.424 2.938 0 50 FFAA Cn1nc(-c2ccsc2)cc1NC(=O)NC[C@@H]1Cc2ccccc2CN1 2325858231 DWNQNMCMCKGGRK-INIZCTEOSA-N 367.478 2.985 0 50 FFAA CC1(C)C[C@@H](n2nc(-c3nc[nH]n3)nc2-c2c[nH]c3ncccc23)CCO1 2325865456 CTHISIXUAGGGQP-NSHDSACASA-N 364.413 2.737 0 50 FFAA CC[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1cccc2c1CCC(=O)N2 2325867039 IQBSRAWWKGUTTN-AWEZNQCLSA-N 359.470 2.538 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Cc3nc(C)cs3)C2)C1 2325888355 LCZSGDDAIDBXDO-HZPDHXFCSA-N 361.511 2.657 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2nc3cc(Cl)ccc3s2)CC1 2325888454 URSQPSCPVRZWGU-UHFFFAOYSA-N 363.870 2.991 0 50 FFAA COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 754233 JLKKXFLIQLNLAN-MAUKXSAKSA-N 352.390 2.873 0 50 FFAA biogenic,in-vitro CCOc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)c1 844440 BVFKJIBRLXBVSN-ZDUSSCGKSA-N 358.316 2.819 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cncc(Br)c1 945190 YSVIYBXLXZZKRY-UHFFFAOYSA-N 362.227 2.933 0 50 FFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)c1 2882281 YZGHOZBTSKCZIV-INIZCTEOSA-N 352.500 2.861 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356169454 RERYCDHMJGABEG-RTBURBONSA-N 354.450 2.866 0 50 FFAA CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccncc1 3501718 UKYCBCQNLYMUPT-ZIAGYGMSSA-N 359.499 2.957 0 50 FFAA Clc1ccc(-n2nnnc2Cc2nnnn2-c2ccc(Cl)cc2)cc1 4425780 LWFDYNWCCZFGDR-UHFFFAOYSA-N 373.207 2.536 0 50 FFAA O=C(COc1c(Cl)cc(Cl)cc1Br)N1CCOCC1 9779039 YTNOLIWYRIAXFZ-UHFFFAOYSA-N 369.042 2.994 0 50 FFAA CCN(C[C@@H]1CCN(C)C1)C(=O)CCC(=O)NC1CCCCCCC1 55403063 SFLYOWMWQIJHBX-QGZVFWFLSA-N 351.535 2.796 0 50 FFAA CN1CCC(N(Cc2ccco2)C(=O)c2cccc(-n3cccn3)n2)CC1 134414666 UWBHWZUDNYQDEV-UHFFFAOYSA-N 365.437 2.597 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67514900 UWJYFOCUXVNYCB-CQSZACIVSA-N 359.253 2.666 0 50 FFAA CCCn1cc(NC2CCN(c3ccc(-n4cccn4)cc3)CC2)nn1 23399783 FMWVBBBFGKSCGZ-UHFFFAOYSA-N 351.458 2.955 0 50 FFAA CCn1c(C2CCN(C(=O)c3cccc4c(C)c(C)[nH]c34)CC2)n[nH]c1=O 67724076 JQCOMRUTZORWOY-UHFFFAOYSA-N 367.453 2.709 0 50 FFAA CCc1noc(CN(C)C2CCN(c3cccc(-n4cccn4)c3)CC2)n1 23543660 LHLDHKMEMAYFSS-UHFFFAOYSA-N 366.469 2.919 0 50 FFAA CC(C)c1cccc(-n2cc(O)c(C(=O)NC[C@H]3CCCC[C@H]3O)n2)c1 469699473 GDTUGMMJISURGX-NVXWUHKLSA-N 357.454 2.982 0 50 FFAA Cn1cnnc1Sc1ccc(-c2nc3c(cnn3Cc3ccco3)[nH]2)o1 20779247 CAKZLICDTYMXOP-UHFFFAOYSA-N 367.394 2.940 0 50 FFAA COc1ccc(OC)c([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 8773049 GBNFLIQUBILQAY-GOSISDBHSA-N 367.357 2.801 0 50 FFAA O=C1CCCN1CCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67643752 NOPALMJORPNSSB-HNNXBMFYSA-N 371.264 2.906 0 50 FFAA O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1 119566222 DKDRUCXIRBSUTA-QGZVFWFLSA-N 357.433 2.773 0 50 FFAA CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccccc1 66324771 ARXWCVBLYPHVTR-VAWYXSNFSA-N 351.410 2.673 0 50 FFAA CCc1cccc(NC(=O)c2cccc(CN3CCC(=O)NC[C@@H]3C)c2)n1 67894475 SULHQJSKCLUTEA-HNNXBMFYSA-N 366.465 2.607 0 50 FFAA Cc1nc2cc(OCc3cc(C(=O)N4CCOCC4)no3)ccc2s1 12301496 XNNBAYWCXKSXOR-UHFFFAOYSA-N 359.407 2.644 0 50 FFAA NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 4177264 NUXLFEJUVYZBGH-UHFFFAOYSA-N 371.487 2.572 0 50 FFAA O=C(NCc1cccc(-n2cccn2)c1)c1cnc(-c2ccccn2)nc1 71749870 MVZPYGRGHMMAFR-UHFFFAOYSA-N 356.389 2.654 0 50 FFAA CCn1ncc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)c1C 72481084 YAGXAGVXGKGDHK-UHFFFAOYSA-N 354.498 2.991 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363480305 CASSIZBSJJYEIY-CYBMUJFWSA-N 370.438 2.536 0 50 FFAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 219943681 ZANUPBFIRYLRLZ-ILXRZTDVSA-N 369.387 2.610 0 50 FFAA O=C(c1cncc(Br)c1)N1CCNC[C@@H]1c1cccc(F)c1 261718749 FAJHCYMNEBXKEP-OAHLLOKOSA-N 364.218 2.770 0 50 FFAA CC[C@@H]1CN(C(=O)c2cn(CC)nc2C)CCC(=O)N1Cc1ccccc1 72169113 WJAQDEQDMNPUAL-GOSISDBHSA-N 368.481 2.865 0 50 FFAA C[C@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CN1Cc1ccccc1 128127093 DZKPHWPOVVHORP-YJBOKZPZSA-N 372.490 2.563 0 50 FFAA CC(C)c1ccc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)c(=O)[nH]1 72447522 GFRCQDGDYRIVLZ-UHFFFAOYSA-N 368.481 2.630 0 50 FFAA COc1cc(Cl)cc(CN2CCOC[C@@H]2CC(=O)O)c1OC(C)C 72135324 YJSBFNZQHBTNDN-AWEZNQCLSA-N 357.834 2.811 0 50 FFAA CCc1cc(N2CCN(Cc3ccncc3)CC2)n2nc(C)c(C)c2n1 72409850 AITGODQOQHLXEZ-UHFFFAOYSA-N 350.470 2.626 0 50 FFAA CC(C)c1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77299286 FQRIUXCHEUNEJS-OAQYLSRUSA-N 370.497 2.855 0 50 FFAA Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(-n3cccn3)n2)no1 378606559 DDACBSLLYPZRSA-OAHLLOKOSA-N 352.398 2.716 0 50 FFAA COc1ccc([C@]2(C(=O)N(CCO)Cc3nccs3)CC2(C)C)cc1 216014333 IEEAIXVCATZROA-IBGZPJMESA-N 360.479 2.841 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)o1 174030313 QHVHKFOBRRJPJR-UHFFFAOYSA-N 359.401 2.599 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72480303 PBZYCHCXFLMXRP-HNNXBMFYSA-N 350.357 2.722 0 50 FFAA Nc1nc(NCCCc2nc3ccccc3s2)cc(C2CC(N)C2)n1 223285335 YZQHBCLAHNNALK-UHFFFAOYSA-N 354.483 2.918 0 50 FFAA COc1cc(F)cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 161285678 XBCQOGULGDQMAI-UHFFFAOYSA-N 350.371 2.520 0 50 FFAA O=C(c1ccc(-c2ncccc2F)cc1)N1CCC(N2CCOCC2)CC1 426420827 UMUMBXSUGAFHJB-UHFFFAOYSA-N 369.440 2.825 0 50 FFAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2ccc3ncsc3c2)cn1 222419444 NPSGYCWFADNPQE-SJORKVTESA-N 369.446 2.966 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(N(C)Cc4cnccn4)n3)cn2)cc1 48501607 LBOPXQQNGXBQCE-UHFFFAOYSA-N 373.420 2.764 0 50 FFAA COc1ccc(Cn2cc(-c3ccc(N4CCSCC4)nn3)cn2)cc1 426622902 GXRVOIZXERCWIH-UHFFFAOYSA-N 367.478 2.950 0 50 FFAA C[C@@H](CNC(=O)C1(c2ccccc2)CCN(C)CC1)Oc1cccnc1 222485910 DWFZGGUUXWRBFK-KRWDZBQOSA-N 353.466 2.629 0 50 FFAA COc1ccc(-c2[nH]ncc2CN2CCCn3nc([C@@H](C)O)cc3C2)cc1 221234883 AKNNYQSPRVXYRG-CQSZACIVSA-N 367.453 2.741 0 50 FFAA COc1ccc2c(C)c(C(=O)NCCc3nnc(C)s3)oc2c1OC 426382852 BFNMDODHIHSZAT-UHFFFAOYSA-N 361.423 2.891 0 50 FFAA CNC[C@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 179025173 UWCVHXGPOVBHJW-LLVKDONJSA-N 370.350 2.712 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1ccccc1F)N(C)C 95361747 UPXRNKQNCGOBGL-KRWDZBQOSA-N 369.400 2.532 0 50 FFAA O=C(Cn1ccc2ccccc21)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91452769 ATUDVXJPCSIEDT-FUHWJXTLSA-N 361.449 2.559 0 50 FFAA CCCN(Cc1nccn1C)C(=O)Nc1cc(S(C)(=O)=O)ccc1C 96138426 YVCIGCPNPNMQNN-UHFFFAOYSA-N 364.471 2.576 0 50 FFAA CN(C)[C@H](C(=O)N1CCN(Cc2ccsc2)CC1)c1ccccc1F 95357430 JOBNWBKBWCXIEV-SFHVURJKSA-N 361.486 2.834 0 50 FFAA Cc1cc(Cl)cc(C)c1NC(=O)NCCCN1CCC[C@H](C(N)=O)C1 96141254 YVNQJIQXFLWKNP-AWEZNQCLSA-N 366.893 2.666 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCCN(Cc3ccccn3)CC2)N(C)C)c1 95367167 MTAWBXFRISEZRW-NRFANRHFSA-N 366.509 2.727 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CC[C@H](NC(C)=O)C3)cn2)c1 96139108 XLORRIYEZYVVPV-HNNXBMFYSA-N 370.409 2.625 0 50 FFAA CC(C)O[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91604634 GOZBEYDCNZGKBY-QGZVFWFLSA-N 373.497 2.626 0 50 FFAA CCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 97766472 QJORKELHZOGWCJ-INIZCTEOSA-N 370.428 2.874 0 50 FFAA CN(C(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12)[C@H]1COC[C@@H]1O 91434085 NZRUXUULAMFDSB-HOTGVXAUSA-N 372.808 2.980 0 50 FFAA CN1CCC(Cc2nc(CCN3CCCC3=O)n(C3CCCCC3)n2)CC1 96140314 GUTQYFXSBAQGHW-UHFFFAOYSA-N 373.545 2.833 0 50 FFAA O=C(CCCOc1ccccc1)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244795351 RERVHOPTYRODGJ-WSTZPKSXSA-N 354.450 2.739 0 50 FFAA CCn1c(CN(C)Cc2cc(-c3ccccc3)on2)nnc1[C@H]1C[C@@H](N)C1 244691859 JKHIDMUGITVCJT-IYBDPMFKSA-N 366.469 2.790 0 50 FFAA O=c1cc(CN2CCC(CCn3cccn3)CC2)nc2ccc(Cl)cn12 299777262 OGPSHEAEERBLTL-UHFFFAOYSA-N 371.872 2.847 0 50 FFAA O=C1C[C@@H](C(=O)NCc2noc(-c3ccccc3)n2)C2(CCCCC2)O1 299798005 QBHNFNQCGXNRRW-AWEZNQCLSA-N 355.394 2.619 0 50 FFAA Cc1nc(O)c2c(n1)CN(C(=O)CCCc1c[nH]c3ccccc13)CC2 299759138 OXJFDNHOIXFDIW-UHFFFAOYSA-N 350.422 2.880 0 50 FFAA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CC[C@@](O)(CO)C2)c1 299786520 LIGLEHMKXUVPSC-IBGZPJMESA-N 361.825 2.585 0 50 FFAA CCCCSCc1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)oc1C 299781160 UGLORNBNKGPRIV-UHFFFAOYSA-N 363.487 2.702 0 50 FFAA CC[C@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 299766359 CZFZKJISMHLTAG-NHYWBVRUSA-N 373.840 2.832 0 50 FFAA CN1C(=O)CC[C@@H](C(=O)N2CCc3cc(O)ccc3C2)[C@H]1c1ccccc1 1875274514 FKTZJOKUKUAOFG-TZIWHRDSSA-N 364.445 2.887 0 50 FFAA Cc1noc(C)c1CNC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1 1875288804 DRLFNOPCAZDWRZ-UHFFFAOYSA-N 353.426 2.878 0 50 FFAA C[C@@H]1Cc2ccc(F)cc2CN1S(=O)(=O)CCn1cnc2ccccc21 1875259747 YPZDZHRGZOHVLB-CQSZACIVSA-N 373.453 2.952 0 50 FFAA COC(=O)c1coc(C2CN(C(=O)c3cc4cccc(F)c4nc3C)C2)n1 1875329241 MIBDNNXCZJEDER-UHFFFAOYSA-N 369.352 2.697 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 1875367086 BHLKMJQVTRKHFH-ICSRJNTNSA-N 356.466 2.526 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3ccccc3F)nn(C)c21 1875401121 GDFSTKIYHBBTCZ-OLZOCXBDSA-N 361.417 2.732 0 50 FFAA CCN1CCCN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 271502262 FHKHPGOFVCIGML-IRXDYDNUSA-N 360.502 2.860 0 50 FFAA C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3nccc(N)n3)C2)CC(C)(C)C1 275625843 JHYMNDDNHBTFRR-BZUAXINKSA-N 359.518 2.554 0 50 FFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@@H]3C)cs2)c(OC)c1 189298952 RLDQFMSLAMPLGW-LBPRGKRZSA-N 361.467 2.538 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccsc1)C2 216335800 KNQMKFGIVRWIGS-HIFRSBDPSA-N 359.451 2.616 0 50 FFAA COc1ccc(Cc2nc(-c3ncoc3C)n([C@@H]3CCOC3)n2)cc1OC 1772813225 VRLBIOPHRVYFTP-CQSZACIVSA-N 370.409 2.811 0 50 FFAA Cn1cnc2ccc(-n3ccnc3-c3ccc(S(C)(=O)=O)cc3)cc21 1775983371 LBTIANYNYPUXSF-UHFFFAOYSA-N 352.419 2.830 0 50 FFAA COc1cccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1 5420839 PNLFZUDODOCKOO-UHFFFAOYSA-N 366.461 2.912 0 50 FFAA COCCCNCc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 11839821 NHHWSMPAQHYFTA-OAQYLSRUSA-N 372.509 2.684 0 50 FFAA COC(=O)c1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 12747078 RLFKSBHXPSJFQS-MRXNPFEDSA-N 372.465 2.728 0 50 FFAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCC(C)C)CC2 14531812 NNWYUPITWWUKFR-KRWDZBQOSA-N 354.498 2.784 0 50 FFAA CCc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 15006842 FGIQLZWTZXPTRQ-LJQANCHMSA-N 367.497 2.914 0 50 FFAA Cc1ccc(C)c(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)c1 169760062 KUHQVBKMXHDYIL-UHFFFAOYSA-N 350.422 2.630 0 50 FFAA CC(C)c1nnc(N2C[C@H](C(=O)NCCC3CCCC3)CC2=O)s1 1857710230 MYENKYDSRXZEBQ-CYBMUJFWSA-N 350.488 2.711 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)CC[C@H]1N 1875246052 GUZVWGUQIWCYPY-DXCKQFNASA-N 362.449 2.583 0 50 FFAA CCc1nc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)cs1 112283462 OMQDMVKIIKNPBS-CVEARBPZSA-N 363.527 2.793 0 50 FFAA Cc1c(C(=O)N2CCCNCC2)cnn1-c1cccc(C(F)(F)F)c1 237743572 LGWSIWMSHYUTNW-UHFFFAOYSA-N 352.360 2.635 0 50 FFAA CC(C)Oc1cccnc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 153226815 SPXNVMNMJYIGIJ-HNNXBMFYSA-N 371.412 2.933 0 50 FFAA COc1cc(N2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)ccc1F 374616656 BBAMQRLRNWZRRA-UHFFFAOYSA-N 369.400 2.914 0 50 FFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc3oc(O)nc3c2)n1 376948697 XCYXLGMLULQCCR-AWEZNQCLSA-N 352.394 2.954 0 50 FFAA O=C(COc1c(F)cccc1Cl)N1CCC(C(=O)N2CCCC2)CC1 159319550 YZTMXKBZFQOWPV-UHFFFAOYSA-N 368.836 2.719 0 50 FFAA COc1ccc(CN2CCC[C@@]23CCCN(C)C3=O)cc1Cn1cccn1 2100482773 YDPONNMJDQJEDK-OAQYLSRUSA-N 368.481 2.527 0 50 FFAA COC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 835015 CADVZYIHYGAPJD-OAHLLOKOSA-N 356.403 2.915 0 50 FFAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)O 1184594 BQWHUVQZKXGCIZ-CMDGGOBGSA-N 361.375 2.592 0 50 FFAA O=C(CC1CCCCC1)NCC(=O)N1CCC[C@H]2c3[nH]cnc3CC[C@@H]21 2325781306 BQGDYLYOBLIGJB-WBVHZDCISA-N 358.486 2.517 0 50 FFAA C[C@@H](Cn1nnc2ccccc21)C(=O)OCc1ccc2c(c1)CN(C)C2 2325790950 ZOABRWZWCLHUFT-AWEZNQCLSA-N 350.422 2.756 0 50 FFAA C[S@](=O)(=NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)[C@@H]1CC[C@H](O)C1 2325803454 HUPSMEZAEXTWJS-SUTBEAQCSA-N 365.499 2.590 0 50 FFAA O=C(N[C@H]1CCNc2cc(F)ccc21)c1nnn(C2CC2)c1C(F)F 2325809064 AXCVVVYIZAASCJ-NSHDSACASA-N 351.332 2.976 0 50 FFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 2325818873 BIMIOBKXUBSWRM-KZNAEPCWSA-N 354.837 2.961 0 50 FFAA O=C(NCc1ncc(-c2cccs2)[nH]1)c1ccc2c(c1)OCCNC2 2325858626 UZIRPFGXZMEKPQ-UHFFFAOYSA-N 354.435 2.550 0 50 FFAA Cc1ccc(CN(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)cc1 1166468 KWWPFYFWQJNMHJ-UHFFFAOYSA-N 372.490 2.773 0 50 FFAA O=C(c1cnc[nH]1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356145312 KWDAQJGVTGDYLP-OAQYLSRUSA-N 359.433 2.987 0 50 FFAA O=C(COc1ccc2ccccc2c1)NCCNC(=O)c1ccc(F)cc1 2850976 RFNXEHMAUZTXEX-UHFFFAOYSA-N 366.392 2.904 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 6580304 RRVRFDSVDGIGEI-UHFFFAOYSA-N 358.379 2.582 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO 104535880 BCBZHSQWXNJVLH-LJQANCHMSA-N 356.514 2.787 0 50 FFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)NCCc1ccccc1 55060367 SZPJNGJWYZRTNM-UHFFFAOYSA-N 357.885 2.821 0 50 FFAA C[C@@H](O)c1cn(CC2CCN(Cc3nc4c(s3)CCCC4)CC2)nn1 20537178 NQSAJNJSESOFHN-CYBMUJFWSA-N 361.515 2.579 0 50 FFAA Cc1cc(C)c(C)c(C(=O)NCCC(=O)N2CCN(C(C)C)CC2)c1C 55074704 NEKLEOUVQZVVJP-UHFFFAOYSA-N 359.514 2.593 0 50 FFAA O=C(CCCN1CCN(Cc2ccccc2)C[C@H](O)C1)c1ccc(F)cc1 108257683 DGDMRRPGRVLTIN-OAQYLSRUSA-N 370.468 2.967 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)N(Cc2cnn(C)c2)CC(C)C)n1 55393157 CCBFUJNATLIOGG-HNNXBMFYSA-N 361.515 2.992 0 50 FFAA O=C(OC[C@@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)NCCc1ccccc1 22339075 DOMSWSYBDLOIME-OTWHNJEPSA-N 357.450 2.650 0 50 FFAA Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CC[C@H](C)CC1 250892391 GBYNNZAQCUOJAD-SHTZXODSSA-N 367.515 2.508 0 50 FFAA C[C@H](c1noc([C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1)c1c(F)cccc1F 350646070 NLYDSDARSOJXSX-VHSXEESVSA-N 359.336 2.743 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC[C@H](c3nc(C(C)C)no3)C2)c1C 65394491 DVNBUJYIXRCALO-HNNXBMFYSA-N 374.489 2.844 0 50 FFAA COC(=O)[C@H](C)N(C)C(=O)c1csc2nc(-c3ccccc3OC)cn12 67489653 IFRVIJBMHUWQQG-NSHDSACASA-N 373.434 2.705 0 50 FFAA CC(C)OC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 44901303 SHOZHJHFXHOACH-UHFFFAOYSA-N 351.200 2.624 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 251844345 OOSVSUUUTUVYKX-JKSUJKDBSA-N 351.516 2.549 0 50 FFAA O=C([C@H]1CCCO1)N1CCC(NCCCn2ccc3ccccc32)CC1 65490286 QFRDZTXRIHBSGC-HXUWFJFHSA-N 355.482 2.791 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)cc1C 67604463 YGZSHJCATVTTSG-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1ccc(OC)c(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)c1 77457292 ZMAZBFVDRNQYEJ-UHFFFAOYSA-N 367.405 2.955 0 50 FFAA Cc1cccc(OC2CCN(C(=O)Cc3c(C)nc(N)nc3C)CC2)c1 77387308 YIWZNVOXKXKKFS-UHFFFAOYSA-N 354.454 2.597 0 50 FFAA CCCCn1c(O)nc(=O)c2c1nc(CN1CC[C@H]3CCCC[C@H]3C1)n2C 253530824 ZTCWNAJGRKEFRZ-CABCVRRESA-N 373.501 2.648 0 50 FFAA CNCCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77425288 LCBFVLPGLMUCMJ-UHFFFAOYSA-N 370.497 2.667 0 50 FFAA CCc1ccccc1NC(=O)NCCNc1ccc(-n2ccc(C)n2)nn1 72115710 NJTRWLNLYFLYMA-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)CCCc3cn[nH]c3)cn2)c1 72421229 ROQBWLTUYYPBLK-UHFFFAOYSA-N 353.426 2.585 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCCC[C@H]3c3ccccn3)cc2)C(=O)N1 72421350 VZOZSOSXJMYOLY-KRWDZBQOSA-N 364.405 2.505 0 50 FFAA OC1CCN(c2ccnc(N[C@H]3CCCN(CC4CCCCC4)C3)n2)CC1 72408848 XLPNXNJBNKYBHW-SFHVURJKSA-N 373.545 2.894 0 50 FFAA O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(CN2CCCC2)s1 215087722 GSWMSIHCOUMLIM-OAHLLOKOSA-N 357.479 2.863 0 50 FFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCN(c2ccc(C)cn2)CC1 375585986 ZDTGMPSRTLAPCO-SFHVURJKSA-N 372.513 2.514 0 50 FFAA O=C(NC1CC=CC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71761531 QFTYGFSKEOLIKQ-IBGZPJMESA-N 368.525 2.593 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3ccc(OCCCN(C)C)cc3)C2)n[nH]1 215976294 RDEKWDJPWHGXPX-SFHVURJKSA-N 357.502 2.823 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCC[C@H](c2nnc3ccccn23)C1 334062458 ZLYMZFLSSDPLDC-WMZOPIPTSA-N 362.433 2.829 0 50 FFAA Cc1ocnc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCc3ccccc31)C2 241124256 JGSKMODEPLXNEQ-ZOBUZTSGSA-N 351.406 2.565 0 50 FFAA COc1ccc(-c2nc(CN3CCO[C@@H](CCO)C3)c(C)o2)c(C)c1C 71763324 HDKPDSJTEQGOIH-INIZCTEOSA-N 360.454 2.859 0 50 FFAA CN(CC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1)c1ccccc1 77323510 RQUOSZMHMLRJDU-OAQYLSRUSA-N 352.478 2.965 0 50 FFAA CSc1nnc(CC2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1C 82099221 HHNUXAVTQDQVPL-UHFFFAOYSA-N 374.510 2.763 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 82092561 WQMMSGHTBQWOHV-UHFFFAOYSA-N 359.861 2.858 0 50 FFAA CN1CCN(c2cccc(NC(=O)NCCOCc3ccccc3)c2)C1=O 95506385 ADGAHPNJKWRFPH-UHFFFAOYSA-N 368.437 2.897 0 50 FFAA Cc1ccc(-n2ncc3c2CCC[C@H]3NS(=O)(=O)N2CCCC2)cc1C 91364596 VRSHXDAWBKONQX-GOSISDBHSA-N 374.510 2.797 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4ccccn4)C3)CCC2=O)cn1 91444604 SVQZYWUMUKGYKE-OAQYLSRUSA-N 365.481 2.585 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)sc1Cl 91808055 FWXYCXBXVWOWHV-NSHDSACASA-N 355.891 2.555 0 50 FFAA CSCCc1nc(-c2ccc3c(c2)NC(=O)CN3)n(CC(F)(F)F)n1 96163712 HCQDSQCTXDUCSE-UHFFFAOYSA-N 371.388 2.777 0 50 FFAA O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1ccc2[nH]c(=O)oc2c1 97480467 UPQAPPWHHGMDHB-HNNXBMFYSA-N 366.421 2.765 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)on1 95511085 YKNQDDGTKADBPR-HNNXBMFYSA-N 359.474 2.576 0 50 FFAA O[C@@H](COc1cccc(CN2CCC2)c1)CN1CCc2ccccc2C1 95525220 WYZFQEUBGAQTOK-OAQYLSRUSA-N 352.478 2.690 0 50 FFAA O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1 96141834 YNGAQSNDBHGDKI-IBGZPJMESA-N 364.445 2.612 0 50 FFAA Cc1nc(CN2CCN(c3nccc(-c4cccnc4)n3)CC2)cs1 96141086 LCHGEKRIFQLLTC-UHFFFAOYSA-N 352.467 2.626 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)cc1 181482451 QJTLFDXOASCVOR-INIZCTEOSA-N 372.421 2.736 0 50 FFAA Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccccc2)cc1C 248161489 OXKAVAZINRJFSR-SLFFLAALSA-N 361.445 2.839 0 50 FFAA CNC[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 299738458 BAJXCKZDQACSBF-BBRMVZONSA-N 369.303 2.920 0 50 FFAA C[C@@H]1CNC(=O)CCN1C(=O)c1ccc(-c2ccc3c(cnn3C)c2)cc1 534590692 NPDAVLXSBHLHFT-CQSZACIVSA-N 362.433 2.591 0 50 FFAA CN1CCC[C@H](CCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 459270309 UYKSGNWSWGLMPP-VHTFYLNKSA-N 370.541 2.759 0 50 FFAA CN(C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CCSCC1 299801154 VFFQKPJEDJKNKG-UHFFFAOYSA-N 367.536 2.866 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)N(C)C)cc1 823646319 ZRQKFCNKCMEVOP-SFHVURJKSA-N 371.506 2.644 0 50 FFAA CC(C)Oc1ccc2cc(C(=O)NCc3csc(N)n3)c(=O)oc2c1 821995643 GWNKPZLQDRPAEY-UHFFFAOYSA-N 359.407 2.549 0 50 FFAA COc1ccc(C[C@H](N)C(=O)Nc2ccccc2Cn2ccnc2C)cc1 824673657 SEEAEEFADITAQG-IBGZPJMESA-N 364.449 2.757 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2nncn2C2CCCCC2)n1 820636690 QHCDKGGTXCNEMJ-AWEZNQCLSA-N 374.514 2.987 0 50 FFAA CN(C)C(=O)c1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1 1875294824 ODUWTMSVKITORS-UHFFFAOYSA-N 359.857 2.925 0 50 FFAA O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N[C@@H]1CCNc2ccccc21 1875292933 WZUCQTXYGLNQPT-PKOBYXMFSA-N 364.449 2.816 0 50 FFAA CCc1ccnc(-c2nc(Cn3cncn3)nn2CCc2ccccc2)c1 1875330750 AYUUZFKNFYFPKD-UHFFFAOYSA-N 359.437 2.785 0 50 FFAA O=C(O)[C@H]1CC[C@](F)(CNC(=O)[C@@H](O)c2ccc(Cl)cc2Cl)C1 1875304167 BWAGMCSLVRKPCN-KKUKJKQGSA-N 364.200 2.736 0 50 FFAA Cc1nnc(N2C[C@H]3CCC[C@H]2[C@@H]3CNC(=O)c2ccc3c(c2)CC3)o1 1875406691 KBTOHPMMDKWFPI-KURKYZTESA-N 352.438 2.512 0 50 FFAA CC1(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCCC1 893915924 AUQCMSVEIULXRL-OAQYLSRUSA-N 356.466 2.597 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3CCOC[C@@H]3Oc3cccc(F)c3)cc2[nH]1 1565529104 VWKGNSRXQPKNOZ-HKUYNNGSSA-N 369.396 2.977 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)CCO2)c1 268989095 FTLLSLBSWFSWQJ-GOSISDBHSA-N 366.421 2.568 0 50 FFAA Cc1ccc(-n2[nH]nnc2=NC[C@@H](O)c2ccc(C(C)(C)C)cc2)cc1 734834052 ZQBFUHXGDGZPEF-GOSISDBHSA-N 351.454 2.836 0 50 FFAA C[C@@H](c1nccs1)N1CCN(C(=O)c2cc3nccnc3cc2F)CC1 280077786 QTSVUYXHRPJMFT-LBPRGKRZSA-N 371.441 2.744 0 50 FFAA O=C(N1CCO[C@H](C(F)F)C1)C1(c2ccc(Cl)cc2)CCOCC1 194110362 HCSOUZMNXCIDKA-AWEZNQCLSA-N 359.800 2.881 0 50 FFAA COCc1ccc(CNC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 194445041 IYKFOPNHTQICBD-UHFFFAOYSA-N 368.481 2.692 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 195413584 MAJXKEHHTBQFTL-MRXNPFEDSA-N 366.483 2.544 0 50 FFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)C[C@@H]2CCOC2)s1 1506402062 IMUNXUDUMUDHOW-LBPRGKRZSA-N 356.469 2.677 0 50 FFAA CNC(=O)c1ccc(NC(=O)COCc2nc3ccc(F)cc3[nH]2)c(C)c1 1506428127 MYUWKDLWGWOAPG-UHFFFAOYSA-N 370.384 2.525 0 50 FFAA CC(C)(C)c1ccc(C(=O)N2CCCN(Cc3cnc(N)nc3)CC2)cc1 1772806887 LSXVYBAARBVCJS-UHFFFAOYSA-N 367.497 2.704 0 50 FFAA CO[C@@H]1CS(=O)(=O)C[C@H]1n1ccnc1-c1ccc(Cl)cc1Cl 1772813028 TVGYVVYDUPQHPY-CHWSQXEVSA-N 361.250 2.841 0 50 FFAA Cc1cc(C)n(CCCNC(=O)c2cn(C/C=C/c3ccccc3)nn2)n1 12596450 TZNSNJCEUDKPPG-UXBLZVDNSA-N 364.453 2.625 0 50 FFAA CCCn1c(C)c(CC(=O)NCCC(=O)OC)c2c1CC(C)(C)CC2=O 12756776 FWDMGLNIRFILQC-UHFFFAOYSA-N 362.470 2.583 0 50 FFAA CC(C)CN1C(=O)N(C)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14538220 HIJSBCWBOHHNLJ-UHFFFAOYSA-N 355.482 2.538 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](NC1CCCC1)CC2 14743839 DXLHATVDKMVXIP-SFHVURJKSA-N 366.509 2.875 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccc(C)o3)C2=O)c1 15080402 WPSTVHNUTYGOBZ-OAQYLSRUSA-N 356.466 2.882 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1cnc(-c3ccccc3OC)nc1)C2 1857676457 HNIMSXHZNCIKFY-HXUWFJFHSA-N 368.437 2.569 0 50 FFAA O=C(c1c(F)cccc1F)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857699590 VFRFUDYPOOMQSL-FQEVSTJZSA-N 372.371 2.854 0 50 FFAA CNC(=O)c1ccc(N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)nn1 1857723748 UOIIVLSGTQKKKG-DLBZAZTESA-N 354.454 2.829 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1F)N1CCC(Nc2cccnn2)CC1 122206361 FGIJLKIOLFTTIH-UHFFFAOYSA-N 370.837 2.534 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1CNCC1(O)CCOCC1 237673249 ZBHXHOJAZYPBLO-UHFFFAOYSA-N 363.889 2.833 0 50 FFAA CN[C@H]1CCCN(C(=O)c2cc(O)nc3ccc(Br)cc23)C1 133675754 OJIBFYIJUJGKDL-NSHDSACASA-N 364.243 2.527 0 50 FFAA Cc1cc(CN2CCN(C(=O)C3(c4cccnc4)CCCC3)CC2)no1 368691730 IMZVWFKUDGGJEL-UHFFFAOYSA-N 354.454 2.534 0 50 FFAA COc1ccc(C(=O)N(C)[C@@H]2CCCc3cccnc32)cc1OCCO 373941962 BTYLLAOGIQSQKK-MRXNPFEDSA-N 356.422 2.611 0 50 FFAA Cc1ccc([C@@H](CNC(=O)Cn2cnc3ccccc32)N2CCCC2)o1 263817197 PQVVTLPEHVBUEQ-GOSISDBHSA-N 352.438 2.891 0 50 FFAA Cc1cccc(-c2ccc(CNC(=O)CC3CC(=O)NC(=O)C3)cc2)c1 2325779444 FBKGEEAQVIYELG-UHFFFAOYSA-N 350.418 2.721 0 50 FFAA Cc1nc2ccccc2c(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)c1C 2325797176 WVISKWXOZIDXNZ-KFKAGJAMSA-N 364.449 2.618 0 50 FFAA CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C1 2325853981 JSOWLCICQNGHLM-HDJSIYSDSA-N 368.481 2.784 0 50 FFAA CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 643522 QRFTYOHJBCPSRM-UHFFFAOYSA-N 357.362 2.911 0 50 FFAA COc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1OC 771867 ZKLBZOHWBKUYBF-WBVHZDCISA-N 352.390 2.873 0 50 FFAA biogenic CCOC(=O)[C@H]1Cn2c(nc3c(c2=O)C(C)(C)Cc2ccccc2-3)S1 797628 IGSSVRJHGXDYBF-CYBMUJFWSA-N 356.447 2.781 0 50 FFAA Cc1ccc(Cl)c(CN2CCC[C@]23CCCN(CCO)C3=O)c1F 2356135417 DCKACTSCDBVPJJ-SFHVURJKSA-N 354.853 2.737 0 50 FFAA O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467675 WRFBSLYECTVFRP-ZDUSSCGKSA-N 356.513 2.598 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1Cl)Nc1nccs1 4487952 XAWXGQNFZGQVNN-UHFFFAOYSA-N 352.832 2.503 0 50 FFAA CCCc1cc(=O)[nH]c(SCC(=O)NCc2ccc(Cl)cc2)n1 7141194 WINRAWLUVIQPOK-UHFFFAOYSA-N 351.859 2.784 0 50 FFAA CCc1c(O)nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[nH]c1=O 10059409 PJQUSERPDJDJRU-QMMMGPOBSA-N 353.831 2.811 0 50 FFAA CCCN(Cc1ccccc1OC)Cc1c(C)nn(C)c1N1CCOCC1 55088699 DCZLIAOSOAJZGR-UHFFFAOYSA-N 372.513 2.986 0 50 FFAA O=C1C[C@H](c2ccccc2)N(C(=O)Cc2c[nH]c3ccc(F)cc23)CCN1 115034025 CHFVQUAEKANRGO-LJQANCHMSA-N 365.408 2.939 0 50 FFAA O=C(NCCCn1ccccc1=O)N(Cc1ccccc1)C[C@@H]1CCCO1 65477684 PZZWMOJCAUPUJL-IBGZPJMESA-N 369.465 2.629 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1ccc(-n2cnnc2)cc1 67786403 LBVDZJKGXUDKNA-UHFFFAOYSA-N 364.434 2.991 0 50 FFAA CCn1c([C@@H]2CCCN(C(=O)NC(C)(C)CC(C)(C)C)C2)nn(C)c1=O 67674939 MRHVFFKWICXPDH-CQSZACIVSA-N 365.522 2.706 0 50 FFAA O=C(NCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)c1cccc(F)c1 125942426 IVTKLODRTXLXQG-OALUTQOASA-N 370.424 2.670 0 50 FFAA C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 172273587 JHQGRHNNCFAKRS-AAEUAGOBSA-N 367.496 2.576 0 50 FFAA O=C(NCc1nc(C2CC2)cs1)c1cc(N2CCNC2=O)ccc1F 125068287 HVQZTGWVJHXXBY-UHFFFAOYSA-N 360.414 2.619 0 50 FFAA CCN(CCO)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67821250 SJYTVWQYLVORCP-UHFFFAOYSA-N 361.423 2.626 0 50 FFAA CCn1ccnc(N2CCC(NCc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1=O 328622976 BQUPMSRSQWFVMQ-YOEHRIQHSA-N 356.470 2.738 0 50 FFAA Cc1nn(C)c2sc(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)cc12 328689578 BKLNTBCTDXGUTI-GFCCVEGCSA-N 360.483 2.607 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)c2oc(C)cc2C)CC1 328657107 ZZTQQNBXGVKYFL-GOSISDBHSA-N 370.453 2.730 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2cnc(C3CC3)s2)n1 328656527 ZJWCYQRALSVQOB-CYBMUJFWSA-N 359.455 2.633 0 50 FFAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1c[nH]c(=O)c(Cl)c1 72137395 KCBRZDWJFDKHIA-HNNXBMFYSA-N 351.878 2.803 0 50 FFAA O=C(c1cc[nH]n1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 123776879 VFYHHUUJUMZJRV-UHFFFAOYSA-N 371.441 2.630 0 50 FFAA Cc1nc(O)cc(C2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)n1 72126512 DCKMJLDMGPXYQV-UHFFFAOYSA-N 362.437 2.722 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1cn(C)c2ccccc12 219305126 XSXNITQNPMPWRX-QUCCMNQESA-N 356.466 2.977 0 50 FFAA c1nc(N2CCOCC2)cc(N2CCC[C@H](NC3CCC4(CC3)CC4)C2)n1 330183034 PLWNSNAQRXOYPG-SFHVURJKSA-N 371.529 2.594 0 50 FFAA CCS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@H]2C[C@@H](C)O)cc1 332376724 WWVALZYIDKHZBB-WBVHZDCISA-N 367.511 2.565 0 50 FFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@](C)(c1ccccc1)C(F)(F)F 331071176 DANWATIAENKYQC-CQSZACIVSA-N 361.389 2.793 0 50 FFAA CCNc1ncc(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)cn1 71754078 MNZMPPFDNOBLBG-SFHVURJKSA-N 354.454 2.772 0 50 FFAA CCCCc1nc(CN2CCN(Cc3cccc(OC)c3)C(=O)C2)c[nH]1 72156449 ZJESPOONLLQRDG-UHFFFAOYSA-N 356.470 2.605 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O 370908318 BIRJCEYPTVXLOG-QGZVFWFLSA-N 364.833 2.585 0 50 FFAA O=C(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530380 LZBLZPFQCAGHJU-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA O=C(O)CNC(=O)Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 373060222 WQYXTIDBKXVZJY-HNNXBMFYSA-N 372.446 2.550 0 50 FFAA Cc1nc([C@@H]2CCCN2Cc2ccccc2OCCn2ccnc2)n[nH]1 216158617 ATXSNSFBFGPPOP-KRWDZBQOSA-N 352.442 2.726 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 72422791 RDJYSRCJDFSOSO-UHFFFAOYSA-N 365.437 2.500 0 50 FFAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CCc3c(nc[nH]c3=O)C2)c1 71748051 ZXWSIQBCQIOSQZ-UHFFFAOYSA-N 369.465 2.944 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O 239619629 BFXMGPGCBITYFC-LAPQFRIASA-N 356.422 2.596 0 50 FFAA CC(C)(C)CCCNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 72425347 ZPZVOLGQUBJWQV-ZDUSSCGKSA-N 354.520 2.585 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(C)c1c(C)noc1C 286465117 PUSMSEIWCDLGJN-UHFFFAOYSA-N 350.440 2.668 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1OC 82087573 PPPHRNHDWJPAPZ-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ccc(F)cc2)CC1 91664498 JSXCCNDZZSPTCC-QGZVFWFLSA-N 371.456 2.980 0 50 FFAA O=C1NC[C@]2(CCCN(C(=O)c3csc(-c4ccccc4)n3)CC2)O1 426545146 VYOQFWBIRPPAKU-GOSISDBHSA-N 357.435 2.915 0 50 FFAA C[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CC[C@@]1(O)C1CCOCC1 91441022 MCCODVZDEAJFMS-GCJKJVERSA-N 373.541 2.546 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccc(F)c(F)c1)C2 91726202 IWEDNUDFDZZIOW-WCQYABFASA-N 352.385 2.575 0 50 FFAA O=C(NC[C@H]1CCCN(CCn2cnnc2)C1)c1cccc2ccccc12 95503075 MPJBCYVTODIUJP-QGZVFWFLSA-N 363.465 2.573 0 50 FFAA O=C(O)COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 239248137 YDCIZKWYNIMQJI-USTZCAOPSA-N 354.358 2.512 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 95390053 HCXPSTFHPVJTNS-KZNAEPCWSA-N 372.419 2.699 0 50 FFAA N[C@H]1CCC[C@@H](C(=O)N(Cc2ccncc2)Cc2ccc3c(c2)OCO3)C1 97499599 AKWDSZYUNDKGJK-MSOLQXFVSA-N 367.449 2.857 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCN3CCCCCC3=O)C2)cc1 95364050 RPGKFCJVZNPUAN-GOSISDBHSA-N 372.465 2.884 0 50 FFAA CCOc1cc(Cl)c(CN2CC[C@@]3(CCCNC3=O)C2)cc1OC 91713670 HPWNTSJLERMRDY-SFHVURJKSA-N 352.862 2.849 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)Nc1ccc2c(c1)CCC2 95523037 QTFXCTZRYAHDBM-HXUWFJFHSA-N 366.465 2.765 0 50 FFAA Cc1cc(-n2nc(C)nc2-c2ccc(CN3CCN(C)CC3)cc2)ccn1 97785206 ACVRKDLCAZWLTH-UHFFFAOYSA-N 362.481 2.694 0 50 FFAA O=C(O)[C@@H](c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1 95501279 MOZRPGVKTSWSEO-LJQANCHMSA-N 368.433 2.823 0 50 FFAA CCN(Cc1cc(=O)n2cccc(C)c2n1)Cc1noc(CC(C)C)n1 244774160 POVUJKOKUNOSBP-UHFFFAOYSA-N 355.442 2.607 0 50 FFAA CCn1c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)nc2cc(C)ccc21 182502488 KJGQOJRBLYMONZ-LLVKDONJSA-N 368.359 2.714 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)Cc2ccc(-n3cccn3)cc2)c1C 244626494 FMRFYRNMMUGTHE-UHFFFAOYSA-N 366.469 2.776 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1cccc2ncccc12 299761976 STDYJZXPTXLTAH-ZDUSSCGKSA-N 354.414 2.746 0 50 FFAA C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCCCn2cnnc2)c1 299756422 HZXZZVPQQJIPLH-MRXNPFEDSA-N 356.474 2.864 0 50 FFAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4cccc(C(=O)O)c4)c(=O)n1c23 299738176 GODNKAKYPOIWMZ-JTQLQIEISA-N 364.357 2.775 0 50 FFAA CCCOCCN1CCN(C(=O)c2cccc(-c3c(C)n[nH]c3C)c2)CC1 299784639 HKQYORAUIYJJPV-UHFFFAOYSA-N 370.497 2.878 0 50 FFAA CCOc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1Cl 299781555 LZMUTSMIOQGFIF-GOSISDBHSA-N 369.893 2.907 0 50 FFAA CC(C)(C(=O)NCCc1nc(-c2ccccc2)cs1)N1CCOCC1 299755619 GCSYRVLCEVMADI-UHFFFAOYSA-N 359.495 2.580 0 50 FFAA O=C(NCCCC[C@@H]1CCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 299773347 FIKGBFZRFWTSCA-OAHLLOKOSA-N 371.437 2.916 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1 828066231 WUUCITOGAMCKFP-IBGZPJMESA-N 357.429 2.882 0 50 FFAA Cc1nc(C)c(-c2cccc(C(=O)N(CCN(C)C)C[C@@H]3CCCO3)c2)[nH]1 584901442 PFKQVBIFHOPJCP-IBGZPJMESA-N 370.497 2.876 0 50 FFAA CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)O)cc1OC 269083954 KIKLSTSLORVKDF-KTRBRXNASA-N 353.802 2.836 0 50 FFAA Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1Cc1cnon1 952895054 RCMQQDPDJWYYTQ-SFHVURJKSA-N 353.426 2.505 0 50 FFAA Cc1ccc(CCC(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)s1 1875260057 LXDNIAAEBXQFMQ-UHFFFAOYSA-N 369.450 2.858 0 50 FFAA C[C@@H]1c2cccnc2CCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C 1875293890 GSQRWDDPIDUFOA-SJLPKXTDSA-N 352.482 2.883 0 50 FFAA C=CC(=O)NCC1(NC(=O)c2ccc(F)c3ccccc23)CCOCC1 1875385730 ABQLTTZUEAIHFP-UHFFFAOYSA-N 356.397 2.560 0 50 FFAA O=C1OCC2(CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)O1 952972932 MLGHMCRSDLPEIK-UHFFFAOYSA-N 358.419 2.881 0 50 FFAA COc1cc(NC(=O)c2ccc3scnc3c2)cc(-n2cnnn2)c1 952860382 OAPXGNZBOQSVOP-UHFFFAOYSA-N 352.379 2.533 0 50 FFAA CCCS(=O)(=O)N1CCC[C@H](CNC(=O)CCCc2ccccc2)C1 952972913 HICKICHFYQJYSC-GOSISDBHSA-N 366.527 2.577 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3C[C@@H]4CC[C@@H](N(C)C)C[C@H]4C3)n2)cc1 1345237904 YKFRYXIOKVWFFG-XYJFISCASA-N 368.481 2.683 0 50 FFAA O=C1O[C@H]2CN(c3nc4ccccc4s3)C[C@H]2N1Cc1ccccn1 1565509794 ODECXHJFDRMFIH-CABCVRRESA-N 352.419 2.901 0 50 FFAA C[C@@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275719413 YXDKWLYZGAWCOT-GZRFBZBPSA-N 357.454 2.980 0 50 FFAA CCS(=O)(=O)c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)cc1 276249659 DFHVGICCJSTTSN-HXUWFJFHSA-N 374.506 2.966 0 50 FFAA Cc1nsc(N2CCN(C(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)n1 187236014 BPUWXIGNIGYWOZ-CYBMUJFWSA-N 369.494 2.791 0 50 FFAA C[C@@H](C(=O)N1CCC(Nc2nccs2)CC1)N1CCc2ccccc21 190415080 CIZXKAHFSVRRPP-AWEZNQCLSA-N 356.495 2.997 0 50 FFAA 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COc1ccc(CN2CCN(C(=O)c3ccccc3C)CCC2=O)cc1 14958367 AUHUKTWNTXCUSA-UHFFFAOYSA-N 352.434 2.878 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNC1(c2ccccc2)CC1 14968528 KTUYCIHCFOPIDX-QFIPXVFZSA-N 368.452 2.958 0 50 FFAA COCCNCC[C@H]1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 14974037 ZBZOQBDHWVLRQM-CQSZACIVSA-N 360.376 2.702 0 50 FFAA O=C(COc1ccc(F)c(Cl)c1)N1CCN(Cc2ccco2)CC1 16605145 BGVQGMCVYDJDJV-UHFFFAOYSA-N 352.793 2.795 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19842718 WTMMEHPBDXHHAB-UHFFFAOYSA-N 368.861 2.986 0 50 FFAA CCc1noc(-c2ccn3c(CNC(=O)c4ccccc4C)nnc3c2)n1 169776174 XBXDYTCIOODCEK-UHFFFAOYSA-N 362.393 2.580 0 50 FFAA c1ccc(CCN2CC[C@]3(C2)Cn2c(nnc2-c2ccncc2)CO3)cc1 1857682888 PXNWOBMMYKUJGQ-NRFANRHFSA-N 361.449 2.558 0 50 FFAA Cc1nc(-c2nccn2CCN2N=C(c3ccccc3)CCC2=O)cn1C 1857723822 YKKNNUVMVXVIMX-UHFFFAOYSA-N 362.437 2.619 0 50 FFAA CNC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 237316413 DCTNTYVZSYMRSZ-SNVBAGLBSA-N 370.824 2.979 0 50 FFAA COc1ccc(-c2cncc(C(=O)N3CC[C@@](O)(C(F)(F)F)C3)c2)cc1 135829941 URQRVJJXILGSCY-KRWDZBQOSA-N 366.339 2.897 0 50 FFAA CCOC(=O)c1ccc(N2CCN(Cc3coc(C(C)C)n3)CC2)nc1 253428410 JSJAVIYLLZMZHT-UHFFFAOYSA-N 358.442 2.692 0 50 FFAA Cn1cc(I)c(C(=O)Nc2ccc(F)c(F)c2)n1 4745573 SIOZGCOBJGGYSP-UHFFFAOYSA-N 363.105 2.555 0 50 FFAA C[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc2c(c1)NC(=O)CO2 2325723220 ZWDKDMQQNZFWSH-LLVKDONJSA-N 369.450 2.725 0 50 FFAA C[C@@](CC(=O)O)(NC(=O)c1n[nH]c2c1CCCCC2)c1ccc(F)cc1 2325865868 STRQXOXDZGWTBF-IBGZPJMESA-N 359.401 2.938 0 50 FFAA CC(C)CCC(=O)NC[C@@H]1CN(c2ncncc2Cl)CC(C)(C)O1 2325866975 GXHAUCGERBPZBC-CYBMUJFWSA-N 354.882 2.666 0 50 FFAA Cc1cccc(C(=O)N[C@@H](C)CCNC(=O)Cc2cc(C3CC3)on2)c1 2325868014 LUTLOEXPOAFYKT-AWEZNQCLSA-N 355.438 2.728 0 50 FFAA Cc1ncc(Br)cc1C(=O)N[C@H](CN)c1ccccc1F 2325868984 UBVBGDHJLAMEMQ-CQSZACIVSA-N 352.207 2.721 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)Nc3cc(C)cc(C(N)=O)c3)ccc21 2325889255 HPTVDCKMLAJHIA-UHFFFAOYSA-N 363.417 2.811 0 50 FFAA CC(C)(C)c1ccc(C(=O)CCCN2CCC3(CC2)CNC(=O)CO3)cc1 2356150219 RJIJTTKJMVEHIS-UHFFFAOYSA-N 372.509 2.928 0 50 FFAA NC(=O)c1ccccc1NC(=O)c1ccccc1I 3192534 GLQUQPQZDARWKV-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OCC 4650766 YAPOTVSJJFQZJS-INIZCTEOSA-N 364.467 2.840 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 4828743 HWIDMZCJSAZKPB-AWEZNQCLSA-N 372.556 2.797 0 50 FFAA Cc1cc(C)c2c(c1)NC(=O)[C@@H]2CC(=O)NCc1noc(-c2ccco2)n1 102820342 UQYARGWYKLLIPP-GFCCVEGCSA-N 366.377 2.689 0 50 FFAA CCCCc1c(C)[nH]c(-c2ccc(CN3CCC[C@H]3C(N)=O)cc2)nc1=O 200586944 RLZLJEVNUHKSNH-SFHVURJKSA-N 368.481 2.538 0 50 FFAA CC(C)n1c(S)nnc1CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F 116196576 WKLOJEHSBIDOIP-MNOVXSKESA-N 366.437 2.888 0 50 FFAA CCn1c([C@H]2CCCNC2)nn(Cc2csc(-c3ccccc3)n2)c1=O 67908973 GFEXRYGBTYXZNZ-HNNXBMFYSA-N 369.494 2.704 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)cc1 67642449 WIZCDXZRTBHMKF-UHFFFAOYSA-N 365.477 2.994 0 50 FFAA Cc1conc1NC(=O)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 119694277 YJHQROYKLRHJQN-LBPRGKRZSA-N 374.466 2.663 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCNC(=O)c1ccc(F)cc1 65370081 VUEKYVISSUTQHZ-UHFFFAOYSA-N 360.433 2.625 0 50 FFAA CC(C)(c1ccc(OC[C@@H]2CO2)cc1)c1ccc(OC[C@H](O)CO)cc1 2507629 NBLIPZBCGXIEFO-YLJYHZDGSA-N 358.434 2.522 0 50 FFAA biogenic,in-vitro O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CC[C@@H](CO)C1 172446087 KQLNLSIPPPAWGG-SECBINFHSA-N 356.304 2.602 0 50 FFAA O=C(CCN1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1)NC1CC1 72438056 UWOXLZRJXXTWSO-QFIPXVFZSA-N 369.509 2.560 0 50 FFAA COCCN1C[C@@]2(CCCN(c3cc(C)nc(C(C)C)n3)C2)CCC1=O 77524962 IEFFHQYJRRODKW-FQEVSTJZSA-N 360.502 2.764 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CCOCC1 72409579 BUXQIAYCGKJSFX-AWEZNQCLSA-N 368.424 2.861 0 50 FFAA O=C(Cn1cnc2cnccc2c1=O)Nc1ccc(SC(F)F)cc1 126557848 PJDXIKQVEPZDHB-UHFFFAOYSA-N 362.361 2.745 0 50 FFAA Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)n1 172857234 HCIXALAKCPKJRP-JKSUJKDBSA-N 369.421 2.659 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 363151459 GPMLELSMHNPHBQ-ZWKOTPCHSA-N 356.426 2.743 0 50 FFAA CCOCCNC(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71750595 TWKWMMHICHJUPK-JOCHJYFZSA-N 366.461 2.686 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCOc2c(F)cccc21 155128667 PYEJTKNHZXJBOP-KRWDZBQOSA-N 356.397 2.894 0 50 FFAA CCOc1ccc(CC(=O)N(C)[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 377765377 WZUMQVPBHYOJSG-GOSISDBHSA-N 368.481 2.854 0 50 FFAA COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)cc1S(C)(=O)=O 449999625 OEPMNSYDBAFCGP-CYBMUJFWSA-N 359.447 2.686 0 50 FFAA CO[C@@H](C(=O)N1CCC(OCc2ccccc2C)CC1)c1cnn(C)c1 374251985 RYKXPIWMSQMLBF-LJQANCHMSA-N 357.454 2.624 0 50 FFAA CCc1c(C)cc(C(=O)N(C)[C@H](C)Cc2ccccc2OC)c(=O)n1C 216503074 GBAZXZJHNBQTSL-OAHLLOKOSA-N 356.466 2.968 0 50 FFAA CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 242288000 YKGYPPPLFIGAJO-CABCVRRESA-N 366.456 2.575 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)Cc2ccn(C)c2)CC3)c1 48482737 RHUPFUCILFDCQR-UHFFFAOYSA-N 350.422 2.551 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1 222392417 ZSLKHXYJCBPULK-WOJBJXKFSA-N 354.450 2.857 0 50 FFAA CCCN1CCCn2nc(CNC(=O)c3cnc4c(c3)CCCC4)cc2C1 82162159 XXYPJJZCUUVZSN-UHFFFAOYSA-N 367.497 2.703 0 50 FFAA OCC1CCN([C@@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)CC1 19340480 XPDRIDKVJPAPEN-LJQANCHMSA-N 372.488 2.680 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N1CCC(c2ccn[nH]2)CC1 221388158 OFWJKAIMCRLFIN-UHFFFAOYSA-N 365.437 2.700 0 50 FFAA COC(=O)c1sccc1-c1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 426678185 UPVNSWSAYLGIIM-AWEZNQCLSA-N 372.446 2.552 0 50 FFAA Cc1nc(CNC(=O)N2CC(Oc3ccc(F)cc3)C2)nc2c1CCCC2 426530421 LVYHAPXBJXCDEL-UHFFFAOYSA-N 370.428 2.776 0 50 FFAA O=C(OCc1ccco1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 239378421 OTAIBVOSMCORKG-LBTBCDHLSA-N 363.369 2.948 0 50 FFAA CCCc1cnc(C)nc1N1CCC(N[C@@H](C)Cc2cnccn2)CC1 95498483 YFTHJCYTVWKGOY-HNNXBMFYSA-N 354.502 2.717 0 50 FFAA CN(C)Cc1csc(CN2CCC(N3CCC[C@@H](C(=O)O)C3)CC2)c1 97522187 KAKZRSPWHSDMEH-MRXNPFEDSA-N 365.543 2.571 0 50 FFAA Cc1nn(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1Cl 91504051 JYZMOATYSWARIJ-QZTJIDSGSA-N 372.900 2.968 0 50 FFAA C[C@H](Cc1cnccn1)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 96163427 MVDGVWUBEASRIG-OAHLLOKOSA-N 369.469 2.702 0 50 FFAA COc1ccccc1-c1noc(CCCc2nc([C@H]3CCOC3)no2)n1 96147959 WUUSBEJGFSJKRI-LBPRGKRZSA-N 356.382 2.807 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCN(C2CCSCC2)CC1 97475388 IIDCNHCWWWORSL-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1cccc(C(=O)O)c1 97521968 WRCURZUZNNMORG-UHFFFAOYSA-N 367.405 2.975 0 50 FFAA O=C(Nc1ccc(-n2ccnc2)cc1)NC1(CN2CCOCC2)CCCC1 96160978 QDCWFMYFGIOLOH-UHFFFAOYSA-N 369.469 2.639 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(C(F)(F)F)ccc1F)C2 91624588 AUOGBPROCVZYML-SWLSCSKDSA-N 374.378 2.914 0 50 FFAA CCn1ncc(CN2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)c1C 91452464 NOFRPOKTEKDGLS-UHFFFAOYSA-N 370.545 2.940 0 50 FFAA C[C@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)c1ccc(NS(C)(=O)=O)cc1 239591379 BBEHFBLXPMXOFE-DUPGQFARSA-N 365.451 2.609 0 50 FFAA CCn1cc(CN2CCC3(CC2)CCN(Cc2ccoc2)C[C@@H]3CO)cn1 97713536 VVGVLEUYLQRFPK-HXUWFJFHSA-N 372.513 2.593 0 50 FFAA COc1cccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 95374962 DLEPJFIISYZTGQ-VQTJNVASSA-N 365.477 2.756 0 50 FFAA CCc1ccccc1OC1CN(C(=O)c2ccc(Cn3cccn3)o2)C1 95352253 PPTITVHCKLHIMX-UHFFFAOYSA-N 351.406 2.990 0 50 FFAA Cc1nc(-c2ccncc2)nc(N2CCC[C@H](OC(=O)N(C)C)C2)c1C 296302695 MUNQTHAAVVHKQP-INIZCTEOSA-N 355.442 2.822 0 50 FFAA O=C(c1ccc(N2CC(O)C2)nc1)N1CCC(CCc2ccccc2)CC1 67473091 CFYQMMWDZDEWRV-UHFFFAOYSA-N 365.477 2.748 0 50 FFAA C[C@H](NC(=O)c1ccc(SCCO)cc1)c1nncn1C1CCCC1 299791440 FREUNYFEFYHKKZ-ZDUSSCGKSA-N 360.483 2.969 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNc3cc(C(F)(F)F)ccn3)cc2C1 299777964 PFVZZVXJARDPNS-UHFFFAOYSA-N 367.375 2.907 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)NCCSc2ccccn2)C1 584894607 PMVLNSGEVNNTNN-IBGZPJMESA-N 357.479 2.785 0 50 FFAA Cc1nc2cc(-c3ccc(C(=O)N4CCC[C@H]4C(N)=O)cc3)cnc2s1 584884820 IAARBHPMAXIWNG-INIZCTEOSA-N 366.446 2.757 0 50 FFAA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)Cc1cccnc1Cl 874591489 UYMMJYRACOQGLP-OAHLLOKOSA-N 359.813 2.761 0 50 FFAA O=C(c1coc(C2CC2)n1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952849126 YKTMTEPEJYTLMG-KGLIPLIRSA-N 353.426 2.813 0 50 FFAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076097989 LFKFNUZUZAJFEI-CABCVRRESA-N 366.343 2.591 0 50 FFAA CN1C(=O)CC[C@@H](NC2CC(c3cccc(F)c3)C2)[C@@H]1c1nccn1C 886085525 SYXCDYPNNDJFES-WIOJKLDJSA-N 356.445 2.757 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 1346080489 JGNRABFVXOPUQL-IERDGZPVSA-N 366.465 2.978 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1472335560 UFIVJEFBMVEQRP-HNNXBMFYSA-N 358.344 2.823 0 50 FFAA COc1ccc([C@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)c(OC)c1 170620221 QGZUUTCSUJDGPJ-QGZVFWFLSA-N 360.435 2.815 0 50 FFAA Cc1nn(C)c2ncc(C(=O)Nc3ccc(C[C@@H](C)C(=O)O)cc3)cc12 191424066 NDJZWWRSOYHJPR-LLVKDONJSA-N 352.394 2.792 0 50 FFAA C=CC(=O)NCCC(=O)N1CC2(CCC2)c2cc(Br)ccc21 765664408 WJQURGGKAQREQQ-UHFFFAOYSA-N 363.255 2.910 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CC(=O)NCc1cn2c(n1)SCC2 1506404071 FPQIUTYDYZBICJ-UHFFFAOYSA-N 364.858 2.596 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCC([C@H](O)CO)CC2)cc1F 1772704667 KJBIGVSBADENGS-OAQYLSRUSA-N 371.452 2.930 0 50 FFAA COc1ccc(-c2noc(CN(C)C[C@@H]3CCC(=O)N(C(C)C)C3)n2)cc1 1775980216 UWCFOEKGJUEXLM-HNNXBMFYSA-N 372.469 2.824 0 50 FFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)c2cnccn2)CC1 11815724 LPCLWDYAEZOEMH-UHFFFAOYSA-N 371.412 2.644 0 50 FFAA CC(=O)NCCC1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 12303688 YECNAZLTBRGEMO-UHFFFAOYSA-N 360.433 2.538 0 50 FFAA Cn1ccnc1[C@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 12316981 ONZQNLLPZSWGMI-CQSZACIVSA-N 367.409 2.926 0 50 FFAA COC(=O)c1ccc(CN2CCN(C[C@@H]3CC=CCC3)CCC2=O)cc1 12328374 FQHWUTCOTHMXIO-QGZVFWFLSA-N 356.466 2.864 0 50 FFAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCCc1ccccc1)C2 14745025 PDBUAAFBSPQQCW-GOSISDBHSA-N 366.509 2.736 0 50 FFAA COc1ccc(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)cc1F 14951712 REKXTLNNQKXQQW-KRWDZBQOSA-N 370.424 2.798 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN([C@H]2CCC(=O)N(CCC(C)C)CC2)C1 14982286 JZLNWIKRNXHVGW-OALUTQOASA-N 365.562 2.994 0 50 FFAA O=C(NCCCc1ccccc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2 14982700 STDSNJHINFTSKS-RBUKOAKNSA-N 370.493 2.543 0 50 FFAA CC(C)OCCNC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15065790 PAZLUJJWEKQTCN-INIZCTEOSA-N 366.889 2.662 0 50 FFAA COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2O)c(Cl)c1Cl 16651087 HNXIKOMRPFCVQA-ZJUUUORDSA-N 368.282 2.926 0 50 FFAA O[C@]1(Cn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)CCCNC1 1857675121 LJPQOWNGJFAGGM-GOSISDBHSA-N 358.442 2.927 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)c2c(C)noc2n1 1857699480 VMZFOBHDIHWJGZ-UHFFFAOYSA-N 351.410 2.681 0 50 FFAA COc1ccc2cc(-c3nccn3[C@@H]3CCCCNC3=O)c(O)nc2c1 1857703668 VQNFCQTWZFHOEH-MRXNPFEDSA-N 352.394 2.654 0 50 FFAA OC[C@@H]1CN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)CC[C@@H]1O 1875251207 YJYIGVXUFGSYPL-GLHTWIJOSA-N 362.539 2.786 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccccc2-c2nn[nH]n2)C[C@H](C(C)C)O1 1875243505 JOOHWSSBMBPJPK-RHSMWYFYSA-N 357.458 2.923 0 50 FFAA Cc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)nc(C(C)C)n1 253479846 SREVVDWFSIMFML-ZBFHGGJFSA-N 371.510 2.992 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1csc(SCC)n1)C2 253490953 KPUCHMBUHAMPKB-OCCSQVGLSA-N 367.540 2.657 0 50 FFAA O=C(O)c1cccc(CC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1 364925756 FWEFILFFXUMLQT-NRFANRHFSA-N 351.402 2.628 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 262043830 AQGOQHBTPMEURS-VXJOIVPMSA-N 367.808 2.875 0 50 FFAA CCc1ncnc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c1F 1704336447 IYXZQSYRWGVHLA-IBGZPJMESA-N 356.449 2.519 0 50 FFAA Cc1c(-c2nc(C3(C(=O)OC(C)(C)C)CCC3)no2)cnc2ccnn12 2325787156 FYZIRUXWPMBSAR-UHFFFAOYSA-N 355.398 2.851 0 50 FFAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3onc4c3CNCC4)cc2)n1 2325820826 IAVPCOSFAVWFBT-CQSZACIVSA-N 365.437 2.614 0 50 FFAA NC[C@@H](NC(=O)c1csc2ncnc(O)c12)c1ccc2ccccc2c1 2325857567 GSKZTOQAIMKYCM-OAHLLOKOSA-N 364.430 2.980 0 50 FFAA COc1cc([C@@H](O)CN[C@H](C)CCn2cnc3ccccc32)ccc1O 2019981 NKKPVWPMPWLEMY-KUHUBIRLSA-N 355.438 2.852 0 50 FFAA in-man O[C@@H]1CCN(c2nccn3c(-c4ccccc4OC(F)(F)F)cnc23)C1 2356156192 VYYWMZDDTUDXEH-LLVKDONJSA-N 364.327 2.866 0 50 FFAA O=C(O)CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 2949971 XUJMPCQZKXWGEP-FOWTUZBSSA-N 372.808 2.702 0 50 FFAA Cc1c(NC(=O)COc2ccccc2F)c(=O)n(-c2ccccc2)n1C 3209207 NYGONIWQKJLQTR-UHFFFAOYSA-N 355.369 2.641 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(Cl)c1 6057633 RBRJBWWMUKFSAA-RDBSUJKOSA-N 356.253 2.721 0 50 FFAA Nc1nc(Cn2c(=O)oc3ccc(Cl)cc32)nc(Nc2ccccc2)n1 8816268 CSJIETGIQHJQTG-UHFFFAOYSA-N 368.784 2.807 0 50 FFAA COc1ccc(CN2CCN(c3ncccn3)CC2)cc1Br 22591549 FNXSEXUJGIIPJB-UHFFFAOYSA-N 363.259 2.570 0 50 FFAA CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 136128038 PSOWVKASGYJQHW-OAHLLOKOSA-N 360.454 2.927 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cc(COc2cccc3cccnc23)on1 67561886 KVKQCJWHUSRYGG-AWEZNQCLSA-N 353.378 2.711 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCN2Cc2cc(F)cc3c2OCOC3)C[C@@H](C)O1 229780590 CQWAJYFDXVJSGK-SPYBWZPUSA-N 364.461 2.766 0 50 FFAA O=S(=O)(N[C@@H]1CCN(c2ccccc2)C1)c1cnc2ccccc2c1 252508513 XOLASHHTIRQCDS-MRXNPFEDSA-N 353.447 2.792 0 50 FFAA CCOc1ccccc1-c1nc(CN2CCN(CCCO)CC2)c(C)o1 67459232 IXAJRVBCBDYEQQ-UHFFFAOYSA-N 359.470 2.549 0 50 FFAA O=C(CCCCc1ccccc1)N1CCN([C@H]2CN3CCC2CC3)CC1 77521778 VQUSAINPJKCOTQ-NRFANRHFSA-N 355.526 2.638 0 50 FFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cn2)on1 329697012 CCLQTZHWYFXVNN-NSHDSACASA-N 372.244 2.666 0 50 FFAA CC(C)Oc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 31293189 LAIWCWRUOSXJII-QGZVFWFLSA-N 358.482 2.924 0 50 FFAA CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 126934667 SUBNTTDKXXWLAY-UHFFFAOYSA-N 370.434 2.528 0 50 FFAA COc1ccc(CCCC(=O)NCc2c(C)ncc3c2CCNC3)cc1 72408740 IYJBGESCLDORHJ-UHFFFAOYSA-N 353.466 2.683 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)CSc2ccccc2)CC1 219488791 OYQDOUKOAMLKLR-GOSISDBHSA-N 361.555 2.797 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 237434150 IZZRKIWXQGZWGI-IKVQXRKZSA-N 359.289 2.561 0 50 FFAA CCn1ccnc1[C@H](NCc1c(C)nn(C)c1Cl)C1CCOCC1 284469621 ASHWWFRDQFIRBE-OAHLLOKOSA-N 351.882 2.856 0 50 FFAA C[C@H]1C[C@H](NC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2nccn21 334093575 PRTCUIGELCSEFZ-JYYRZZBQSA-N 362.455 2.523 0 50 FFAA CCn1c(S)nc2cc(C(=O)OCC(F)(F)C(F)F)ccc2c1=O 157476370 IJYIHJABXRGHKT-UHFFFAOYSA-N 364.320 2.762 0 50 FFAA COc1ccc2[nH]c(CCN(C)c3cc(C4CC(O)C4)nc(C)n3)nc2c1 219701145 MZOAUZPGDLVPAH-UHFFFAOYSA-N 367.453 2.587 0 50 FFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCCn1ncc2ccccc21 219784508 UTRMLMUZXQBTHN-AWEZNQCLSA-N 367.405 2.739 0 50 FFAA O=C(C1CCC1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72128453 KSYKBSCDMQGILA-NSISKUIASA-N 354.450 2.604 0 50 FFAA CCO[C@@H]1C[C@H](OC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)C12CCC2 241231280 KTQDLQCZTFRROJ-KSZLIROESA-N 372.465 2.825 0 50 FFAA Cn1nc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1C1CC1 460815237 HYBSDAPGZDCPFG-UHFFFAOYSA-N 358.873 2.909 0 50 FFAA Cc1ccc(-n2nc(C(=O)N3C[C@@H](C(=O)O)C[C@@H](C)C3)c3c2CCC3)cc1 263369483 UYVGGYKLNQBJMT-CABCVRRESA-N 367.449 2.852 0 50 FFAA CN1CC[C@@]2(CCCN(C(=O)c3ccc(-c4cccc(N)n4)cc3)C2)C1 426746345 UBVSYGBWRVRMTO-NRFANRHFSA-N 350.466 2.889 0 50 FFAA Cc1ccc(N2CCN(C(=O)NCCn3nc(C)cc3C)[C@@H](C)C2)cc1 426573127 MDBKCKLMRYGZPD-SFHVURJKSA-N 355.486 2.729 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)NCCc2cccc(C(N)=O)c2)n1 178668043 LOBKBDOCFLICKG-SFHVURJKSA-N 352.438 2.578 0 50 FFAA CCn1nc(CNc2cc([C@H]3CCOC3)nc(COC)n2)c2ccccc21 426658621 ZNJQCEQNKVFLPX-AWEZNQCLSA-N 367.453 3.109 0 50 FFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCSc1nc[nH]n1 426658267 DUMBVRZBPUTSTQ-LBPRGKRZSA-N 358.471 2.576 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)O)cc1 180166770 ZVDUNQPSUOUPEG-GOSISDBHSA-N 372.421 2.879 0 50 FFAA O=C(CCNC(=O)c1ccc([C@H]2CCCO2)s1)Nc1nccs1 97637843 STKUTLQOVHGGPE-SNVBAGLBSA-N 351.453 2.815 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(CCc3ccccc3)CC2)n1C 91860190 FXSOHHVSGCNVFS-UHFFFAOYSA-N 364.497 2.790 0 50 FFAA CCc1nccn1CCCNC(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 426489888 IGRRQFLNZYRKJK-OAHLLOKOSA-N 374.489 2.931 0 50 FFAA O=C(Cc1ccc(O)cc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91943664 ZOMBBJTYSOJCJH-UHFFFAOYSA-N 356.466 2.576 0 50 FFAA O=C(NCCCNc1cccnc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91616925 OKTARWPWMZQRRX-GOSISDBHSA-N 372.513 2.819 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91664812 MYWFPAYKRDAUPR-OAQYLSRUSA-N 372.513 2.755 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)CC2 426421700 AFMBNFFGYYSWMP-LLVKDONJSA-N 361.829 2.539 0 50 FFAA COc1ccc(C(c2c(O)cc(C)oc2=O)c2c(O)cc(C)oc2=O)cc1 95618288 SKBKYSWCKDUCNN-UHFFFAOYSA-N 370.357 2.810 0 50 FFAA biogenic O=C(NCc1nnnn1-c1ccccc1)c1ccc([C@H]2CCCO2)s1 91707294 WKTHNHJBTWRGRM-CYBMUJFWSA-N 355.423 2.505 0 50 FFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2ccccc2-n2cccn2)cn1 95370347 ILADZASZKVKWSR-SFHVURJKSA-N 352.394 2.534 0 50 FFAA CN(c1ccccc1)c1ccc(CN2CCN([C@H]3CCNC3)CC2)cc1 97527195 DLGOABFZEVGYRW-QFIPXVFZSA-N 350.510 2.934 0 50 FFAA O=C1NCCN(C(=O)c2ccc3cccc(F)c3n2)[C@@H]1c1cccc(F)c1 91794285 VWWMLUBJZAFRRO-GOSISDBHSA-N 367.355 2.826 0 50 FFAA COCc1noc([C@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 181524469 XDAQIVDZRALLFE-LBPRGKRZSA-N 368.840 2.887 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccccc2)C1 97694876 LMSKVUSCQMDKBW-QGZVFWFLSA-N 363.527 2.820 0 50 FFAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)c(Cl)c1 239184837 RBRJBWWMUKFSAA-MCIONIFRSA-N 356.253 2.721 0 50 FFAA O=C(O)c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 91587031 KLTQDNRXNFHNRE-CRAIPNDOSA-N 365.433 2.516 0 50 FFAA COc1cncnc1NC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 297315289 CEEFTRNBJWNMBL-SECBINFHSA-N 370.335 2.639 0 50 FFAA CCN(CCn1cccn1)C(=O)c1cccc(-c2cncc(N(C)C)n2)c1 534654466 MLOMAEBSWKVNQB-UHFFFAOYSA-N 364.453 2.568 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 534589159 JNRZVJXFEOLYPX-INIZCTEOSA-N 351.406 2.631 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CCN3CCCC3)n2)cc1 534587306 WMRZHHRBCIHHSV-CQSZACIVSA-N 373.457 2.543 0 50 FFAA O=C(CNC(=O)N(Cc1c(F)cccc1Cl)C1CC1)N1CCCC1 534666987 XBXSIMUYOSFMRX-UHFFFAOYSA-N 353.825 2.776 0 50 FFAA CN(Cc1noc(-c2ccccc2)n1)C(=O)CCC(=O)NC1CCCC1 55061064 QBUVPASJCHBUNW-UHFFFAOYSA-N 356.426 2.534 0 50 FFAA Cc1noc(C)c1-c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 299769868 NVZMCWBRXDMDAF-UHFFFAOYSA-N 363.421 2.711 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3cc(C(F)(F)F)ccn3)[C@H](O)C2)cs1 299780648 AUBRVCZZLIOHEX-ZIAGYGMSSA-N 372.416 2.913 0 50 FFAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc(Cn2cnnn2)cc1 828157768 LRPJZANAWURWIK-UHFFFAOYSA-N 362.437 2.570 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)N1CC(c2ccccn2)C1 584890438 RTCSIDWDIYMHPN-HXUWFJFHSA-N 365.481 2.813 0 50 FFAA C[C@@H]1CCCN(CCOc2ccccc2CN(C)Cc2nncn2C)C1 823719873 TYWWONPWZUSWQU-QGZVFWFLSA-N 357.502 2.558 0 50 FFAA O=C1CC[C@H](N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)C(=O)N1 1875290061 NWSMFIWDTYFPPM-PKOBYXMFSA-N 359.385 2.518 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)C1([C@@H]2CCCO2)CC1 1875330770 ZKGORECVGHBQNQ-CEXWTWQISA-N 357.450 2.869 0 50 FFAA O=S(=O)([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC(F)(c2cccnc2)C1 1875404725 RNKJGBWHPFSHDL-HZPDHXFCSA-N 350.390 2.587 0 50 FFAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cccc2c1NCCC2 1875400288 VZYVBGHSJUALFA-MORSLUCNSA-N 360.889 2.824 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)Nc1ccc(Oc2nn[nH]n2)cc1 952962822 DCPLUCSMVFQPRN-UHFFFAOYSA-N 363.381 2.679 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)CCC2 888102458 GCLYFIWTMWRGLA-QRVBRYPASA-N 374.510 2.681 0 50 FFAA COCC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1775955218 HSYCSRWXSYXSNB-UHFFFAOYSA-N 367.401 2.969 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]2N(C)C)cc1 1565505930 PXVSTVTXJZHLEB-UXHICEINSA-N 366.461 2.800 0 50 FFAA Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ncnn2CC(F)F)s1 278387583 AFYBLQKJUPBSKJ-JTQLQIEISA-N 357.430 2.686 0 50 FFAA C[C@H](Sc1ccccn1)C(=O)N1CCN(c2cc(C3(C)CC3)n[nH]2)CC1 170599060 FYOAFFFKVROAEO-AWEZNQCLSA-N 371.510 2.686 0 50 FFAA CC(=O)N1CCCN(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)CC1 279060474 AOLJZXPDTOMDPQ-IRXDYDNUSA-N 356.470 2.761 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccc(-c2cc[nH]n2)o1 1073281455 PJYHAZFCIWUKAT-CVEARBPZSA-N 366.469 2.798 0 50 FFAA C[C@@H](OC(=O)c1cnc2nccnc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 759811796 OVOSNLYXGFTIQB-VXGBXAGGSA-N 368.368 2.587 0 50 FFAA COc1ccc2cc([C@H]3CN(CCn4cnnc4C)CCO3)ccc2c1 1529189907 BOPRAZZGKSPAIU-HXUWFJFHSA-N 352.438 2.822 0 50 FFAA CSc1ccccc1NC(=O)CCC(=O)NC[C@@H]1CCCC[C@@H]1O 210287503 XYAKRZIVUGHYNV-ZFWWWQNUSA-N 350.484 2.795 0 50 FFAA CCN(CC)[C@@H]1CCN(c2noc(-c3ccc(OC)cc3)c2C(=O)O)C1 1704307026 QPRGNBGLMLUZFC-CQSZACIVSA-N 359.426 2.969 0 50 FFAA Cc1ccc2nc(O)cc(C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)c2c1 1704302586 QCAZPMDVLQNFGP-QLFBSQMISA-N 367.449 2.578 0 50 FFAA Cc1ccc(OCC(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1C 1772807519 OKGHKHBLUSYTBH-UHFFFAOYSA-N 354.450 2.787 0 50 FFAA Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 5633648 LPEWGVQKYQODSP-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)CCc2cnn(C)c2)cn1 12206316 QOHDOLGVUFOBNZ-UHFFFAOYSA-N 351.410 2.560 0 50 FFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc(O)cc1 12296710 PKYYHUKEVHQSCT-UHFFFAOYSA-N 364.405 2.580 0 50 FFAA biogenic CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(CC(C)C)[nH]n2)C1 12306952 TVULBVSAPXZLDB-LJQANCHMSA-N 351.491 2.790 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 12649151 CEVDAKZMDQZIES-IAGOWNOFSA-N 353.422 2.772 0 50 FFAA O=c1[nH]c(CSc2nnnn2-c2ccc(Cl)cc2)nc2ccccc12 13571310 PSJFPMHONFARRQ-UHFFFAOYSA-N 370.825 2.845 0 50 FFAA CSCCC(=O)N1CC[C@@]2(CCCN(CCc3ccccc3)C2=O)C1 14974854 VJEKXQVMKLJOAG-FQEVSTJZSA-N 360.523 2.823 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC([C@@H]3CCN(CC(C)(C)C)C3)CC2)c[nH]1 19111883 JTVPZNBTBQCOJF-QGZVFWFLSA-N 359.514 2.904 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 19795104 RQWYGXLNZNJQEY-LJQANCHMSA-N 353.418 2.947 0 50 FFAA CCOCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857670962 JKARNNOFJZYJFC-LBPRGKRZSA-N 351.834 2.850 0 50 FFAA CC(C)Cn1cncc1CN1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857688043 QPUUMLXXVWJUQZ-NRFANRHFSA-N 368.481 2.788 0 50 FFAA Cn1ccnc1CN1CCC2(CC1)CN(CC1CCCCC1)C[C@H]2C(=O)O 1857703697 WQAOAWICNSSWDW-SFHVURJKSA-N 374.529 2.599 0 50 FFAA Cc1nc(C)c(C(=O)NC[C@H]2[C@H]3CN(C4CCCCC4)C[C@]34CC[C@H]2O4)o1 1857719745 UOXRNQYTAONZEE-XKGFGPFHSA-N 373.497 2.833 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857732123 CRTDJVCCPTYWCN-RTBURBONSA-N 369.465 2.616 0 50 FFAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)CCCn1cncn1 1875245775 QCPFNMOUMWTCAZ-UHFFFAOYSA-N 358.833 2.904 0 50 FFAA COCc1ccc(C(=O)N[C@H](c2nc(C(C)C)no2)C2CCOCC2)o1 328612912 QASJXGLTEYWYKS-HNNXBMFYSA-N 363.414 2.830 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C2 249270929 BBCOMIMOCNVYAM-JKOKRWQUSA-N 365.421 2.939 0 50 FFAA CN(Cc1ncc(Cl)n1C)S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 914342077 QSILIIIKKNBGDP-CHWSQXEVSA-N 357.838 2.530 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(Nc2cccc(C(=O)O)c2)CC1 911599320 JPOLIPLCDWVFDM-LBPRGKRZSA-N 370.453 2.931 0 50 FFAA CC[C@H](NC(=O)c1cc(O)nc(C2CC2)n1)[C@H](O)c1c(F)cccc1F 847593310 ALZFYXQQHRXZRB-LRDDRELGSA-N 363.364 2.580 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCSC[C@@H]2c2cccs2)C1 2325888654 NNLIRQBWJAPHPX-UONOGXRCSA-N 350.509 2.789 0 50 FFAA CC(=O)N1CCc2cccc(NC(=O)c3cnn(-c4ccccn4)c3C)c21 151343966 DWYVWQONXJEUHO-UHFFFAOYSA-N 361.405 2.737 0 50 FFAA O=S(=O)(c1ccc(Br)c2nsnc12)N1CCCCC1 755142 JPIDQOREYIDZFV-UHFFFAOYSA-N 362.274 2.628 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC3)CC2)cc1 8315819 PKUBWZPVQIZHRR-UHFFFAOYSA-N 364.511 2.617 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@@](O)(c2ccccc2)CC1 225674809 CPDMNFCDWZYPLT-QFIPXVFZSA-N 368.477 2.685 0 50 FFAA CCCCn1ncc(C)c1NC(=O)c1sc2ncn(C)c(=O)c2c1C 55154787 QSCLIVYHKWRVFC-UHFFFAOYSA-N 359.455 2.861 0 50 FFAA Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1cnn(-c2ccccn2)c1C 114294883 QSMURCOGVCZZGX-UHFFFAOYSA-N 370.434 2.540 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 21794969 MNAYHOBSVQIMJB-UHFFFAOYSA-N 374.876 2.859 0 50 FFAA Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 101470462 IWVAHYRXZRKEHN-MUQADHOPSA-N 364.511 2.763 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-n3cccc3)c2)[C@H]1Cc1ccccc1 20514173 OOFMOZZEUKYURB-FQEVSTJZSA-N 359.429 2.661 0 50 FFAA COc1cccc([C@H](O)C(C)(C)NC(=O)Cc2ccc(OC)c(OC)c2)c1 39248429 NDVYZOPZRPQOIC-FQEVSTJZSA-N 373.449 2.883 0 50 FFAA Cc1cc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)nc(N)n1 67713052 WKJCAXXCDVFWNH-UHFFFAOYSA-N 371.347 2.763 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)CCO2)c1 151522881 ONXFHKVSFIIWIN-RDJZCZTQSA-N 360.433 2.811 0 50 FFAA CCO[C@H]1C[C@@H](O)C12CCN(c1cc(C)nc(-c3cccnc3)n1)CC2 151978004 HRDZYIKOOLTOTK-SJORKVTESA-N 354.454 2.603 0 50 FFAA C[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccncc2)CC1 172343423 MYCODNNNUNONCP-HNNXBMFYSA-N 369.440 2.820 0 50 FFAA O=C1C[C@H](c2nc(-c3ccccc3)no2)c2c(nc3sccn23)CN1 65490993 MIYIXSZWSIAGQK-NSHDSACASA-N 351.391 2.598 0 50 FFAA Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCCCCC2)CC1 4335356 GTYPWSBKANVTRX-UHFFFAOYSA-N 351.516 2.546 0 50 FFAA CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)C[C@H]1CCCO1 71762027 NMTNCJAGBADPHB-CQSZACIVSA-N 362.499 2.633 0 50 FFAA O=C(Cc1csc(-n2cccc2)n1)N1CCN(c2ccc(F)cc2)CC1 30819511 ZKPNJXLEGIACFJ-UHFFFAOYSA-N 370.453 2.964 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2noc(C(C)C)n2)[C@@H]1c1cnn(C)c1 328630357 JHODRIBAJNNXHN-MAUKXSAKSA-N 360.506 2.832 0 50 FFAA COCCCN1C[C@]2(CCCN(C(=O)c3cccc(C)c3O)C2)CCC1=O 77407296 AMTXEZIDQADLMX-NRFANRHFSA-N 374.481 2.582 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCCC(C)(C)CO)n1C 328626945 MFRMKZYEUBBUSA-QGZVFWFLSA-N 363.502 2.627 0 50 FFAA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 367367074 GVKBOABDKXWACE-APWZRJJASA-N 362.429 2.841 0 50 FFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 156274018 ZXCMLNJHGOZILB-GUYCJALGSA-N 353.426 2.559 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72165366 BMJYSXVFYAGMGW-ZLGUVYLKSA-N 366.465 2.509 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cccc(Cn2cccn2)c1 216329924 VNFBWJSERHAVMQ-LJQANCHMSA-N 350.422 2.786 0 50 FFAA CN1C[C@]2(CCCN(C3CCN(CCc4ccccc4)CC3)C2)OC1=O 72434677 OVXKZPIHFXWAHQ-NRFANRHFSA-N 357.498 2.610 0 50 FFAA CC(=O)c1ccc(Oc2ccc(C(=O)N3CCS(=O)CC3)cc2)cc1 126505915 QCZKVKAQIUKYMG-UHFFFAOYSA-N 357.431 2.886 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N[C@H]1CCOc2ccc(F)cc21 173642194 QXRDYPBUJBYNHG-KRWDZBQOSA-N 352.369 2.968 0 50 FFAA Clc1ccc(N2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)nc1 72427039 DEZWFLDBGGDNTR-UHFFFAOYSA-N 366.856 2.909 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2sc(N)nc2C)CC1(C)C 77319632 MXARIKPGBVIIMV-UHFFFAOYSA-N 360.483 2.783 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)cc1Cl 262565561 LFFLTZPPTKWCSK-MNOVXSKESA-N 352.818 2.871 0 50 FFAA O=C(C[C@@H]1CCCN1C(=O)[C@@H]1CCn2ccnc2C1)c1ccc(F)cc1 333211169 UAUFJHWVYLBBKY-WBVHZDCISA-N 355.413 2.849 0 50 FFAA CCc1cc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)on1 77505189 QAGILQVNMUBYHN-UHFFFAOYSA-N 360.458 2.807 0 50 FFAA Cc1nc(CN2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)no1 215465220 YVDKNEUFGMMTGT-UHFFFAOYSA-N 356.474 2.534 0 50 FFAA C[C@H](C(=O)N[C@H](CO)CC(C)(C)C)n1c(S)nnc1-c1cccs1 129009590 LZDICDYTXRCLHL-MNOVXSKESA-N 368.528 2.770 0 50 FFAA CCNc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72407175 ZUKXOCOIYURSLZ-UHFFFAOYSA-N 369.513 2.635 0 50 FFAA CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 17074925 ZOEYPJUIASTGSK-JTQLQIEISA-N 364.467 2.959 0 50 FFAA O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2Cl)CC1 20614138 SKZWPLNJAKRVRM-UHFFFAOYSA-N 356.900 2.908 0 50 FFAA O=C(N[C@H]1CCCNC1=O)c1cccnc1SC/C=C/c1ccccc1 222296456 BTDVLLVHZDEJAF-NADMHLTPSA-N 367.474 2.896 0 50 FFAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 426431044 JWLZTPYDODZQSJ-QGZVFWFLSA-N 365.437 2.533 0 50 FFAA O=C(NCCc1ccc(O)cc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 426697601 WGGHFUSGONHMCX-NRFANRHFSA-N 368.477 2.960 0 50 FFAA O=C(NCc1ccn(C2CCCC2)n1)NCc1cccnc1-n1ccnc1 133131015 FBJRAVTWHZUSIY-UHFFFAOYSA-N 365.441 2.578 0 50 FFAA COCC(=O)Nc1cc(NC(=O)NCCc2ccc(C)o2)ccc1OC 426662320 SBOFRYJZHGRLTM-UHFFFAOYSA-N 361.398 2.546 0 50 FFAA O=C(NCc1ccoc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 47088180 IIOLGSNYAVLDPW-UHFFFAOYSA-N 367.449 2.786 0 50 FFAA Cc1cncnc1C1CCN(C(=O)Nc2cccc(-n3cncn3)c2)CC1 426491177 ZNNQXKXJTDWKEB-UHFFFAOYSA-N 363.425 2.777 0 50 FFAA COc1ccc(CCCC(=O)N2CCC3(CCNC(=O)CC3)CC2)cc1 223442280 KYRBCIMEUCWNPL-UHFFFAOYSA-N 358.482 2.927 0 50 FFAA CC(C)C[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ncnn1C 222753826 IUYLOIKNMKWLMW-LJQANCHMSA-N 369.513 2.898 0 50 FFAA Cc1nnsc1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 91518958 DUCUOWZGLDGDFC-UHFFFAOYSA-N 368.466 2.506 0 50 FFAA Cc1cc(C)nc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)n1 91526291 HNKFWXXTFXDKDN-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 95380477 DAWKGCLQRXFOJX-INIZCTEOSA-N 363.527 2.738 0 50 FFAA Cn1nnc(CN2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)n1 292818002 XRBIGQFWYBPCJB-CYBMUJFWSA-N 355.364 2.581 0 50 FFAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cnc(O)cn3)CC2)C1 96132173 QRNBDPYZAHQMAV-QGZVFWFLSA-N 366.465 2.524 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 92097348 SNCBANKAUPZFRU-CQSZACIVSA-N 368.466 2.506 0 50 FFAA Cc1ccc(C(=O)N[C@H](C)c2ccc(O)c(F)c2)cc1N1CCNC1=O 91809011 RTARPQODDCOASZ-GFCCVEGCSA-N 357.385 2.860 0 50 FFAA CCNC(=O)CN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95357726 RYYDWSGVKFPQGU-LJQANCHMSA-N 355.526 2.857 0 50 FFAA Cc1nc(CCSc2ccc3c(c2)OCCO3)n(C2CCN(C)CC2)n1 96140600 ATLSVKCFHYDKSB-UHFFFAOYSA-N 374.510 2.959 0 50 FFAA CCc1nccn1CCNC(=O)Nc1c(C)c(-c2ccccc2)nn1C 96167151 FFJHXDRKSNMMPA-UHFFFAOYSA-N 352.442 2.976 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCC(c3ccnc(N)n3)CC2)cc1 97729564 QEKRURUXCLDYQO-UHFFFAOYSA-N 364.453 2.837 0 50 FFAA COCC[C@]1(C(=O)O)CCCN(C(=O)CCCc2ccc(F)cc2)C1 91755525 WZFLWXNKKCFLCI-LJQANCHMSA-N 351.418 2.878 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)N3CCOCC3)cc2)o1 97641957 SKIVPITUTFVKGX-SFHVURJKSA-N 368.433 2.718 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc21 96132211 ZPBKMNLVXWUNKZ-DJJJIMSYSA-N 369.421 2.676 0 50 FFAA CCC[C@]1(CO)CCCN(C(=O)c2cnc(N3CCCCC3)nc2C)C1 91807897 DPIOVJRIXIGHRO-FQEVSTJZSA-N 360.502 2.790 0 50 FFAA COc1ccc([C@@H]2CN(c3ncc(Cl)cc3F)C[C@H]2NC(C)=O)cc1 92106827 NCRORWAWDMZLPX-DOTOQJQBSA-N 363.820 2.991 0 50 FFAA CC(C)Nc1ncc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cn1 97638082 KUIZYVKWFWICCA-SFHVURJKSA-N 368.485 2.649 0 50 FFAA COc1ccc(C2(C(=O)N3CCCO[C@H](CN4CCCCC4)C3)CC2)cc1 244641202 GLFGWARIDQEBSB-HXUWFJFHSA-N 372.509 2.830 0 50 FFAA C[C@@H]1COCCN1c1ccc(NC(=O)c2ccccc2-n2ccnn2)cc1 182791531 LWZUQPYZEXYWCK-OAHLLOKOSA-N 363.421 2.745 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CC[C@H]2c2ccc(F)cc2)cc1 252483705 FHDLHXLTPOSOPB-IBGZPJMESA-N 355.413 2.847 0 50 FFAA COc1c2c(cc3c1[C@H](CC(=O)c1cc(O)ccc1O)N(C)CC3)OCO2 263585095 FAHOQKLOKCCBFH-AWEZNQCLSA-N 371.389 2.637 0 50 FFAA biogenic CC(C)(C)SCCNC(=O)N1CCCN(C(=O)c2ccoc2)CC1 534673680 APSJMOSFYKIQCI-UHFFFAOYSA-N 353.488 2.669 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1CCC2(CC1)CNc1ccccc12 299792845 HDUYWNTUFBBMMH-UHFFFAOYSA-N 360.351 2.889 0 50 FFAA O=C(Nc1ccc2ncccc2c1)NC1CCN(C[C@H]2CCCO2)CC1 299784225 WYYLBOZNTJDPFG-GOSISDBHSA-N 354.454 3.000 0 50 FFAA CCN1C(=O)Cc2cc(NC(=O)C[C@H](Cc3ccccc3)C(=O)O)ccc21 1875290915 IJLWKILXYZLSLM-INIZCTEOSA-N 366.417 2.868 0 50 FFAA Cn1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(-c2cccc(F)c2)n1 1875306681 BWYUROYTJXQVMI-UHFFFAOYSA-N 356.332 2.717 0 50 FFAA C=CC(=O)NC1CCC(N(C)C(=O)[C@H]2CCOc3c(F)cccc32)CC1 1875386758 YCLUOWDEMBPTGD-XUJLQICISA-N 360.429 2.764 0 50 FFAA CC1(C)COC[C@H](CN=c2[nH]c(-c3cccnc3)nc3ccccc23)O1 1875332719 GKOJVPRGTNKSCV-HNNXBMFYSA-N 350.422 2.720 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@H]1CC[C@H]1n1cc(-c2ccccc2)cn1 1875314001 CCOFBGRZSDQETI-MXDAGHGGSA-N 353.422 2.737 0 50 FFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)NCCc1ccccc1F 1875393943 VFBBYLOHXVPHEY-NBHGPNQESA-N 371.456 2.695 0 50 FFAA O=C(O)c1cccc(O[C@H]2CCN(C(=O)c3cc4ncccc4[nH]3)C2)c1 1875331724 ACNJKTLUAJTHNX-AWEZNQCLSA-N 351.362 2.555 0 50 FFAA O=C(N[C@H](C[C@H]1CCCCN1)C(F)(F)F)c1conc1[C@H]1CCCO1 1875404845 XZFWYGJHENXIPS-RAIGVLPGSA-N 361.364 2.719 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccco3)C2)c(C)c1 952983540 GVAGRAPEYPKXGP-MRXNPFEDSA-N 355.438 2.798 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(Cc3cc(-c4ccccc4)on3)C2)n1 886091762 QNNFATIOFRQSHG-IBGZPJMESA-N 354.410 2.603 0 50 FFAA Cc1nc([C@H]2CCCN(c3nc(-c4cccnc4)nc4c3CCC4)C2)n[nH]1 269097512 PCUODVCWLGWJLP-HNNXBMFYSA-N 361.453 2.838 0 50 FFAA O=C(CCc1ccc(F)cc1)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565506569 CKWOTKGXGFHYJE-OALUTQOASA-N 358.413 2.644 0 50 FFAA C[C@H](c1nccs1)N1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 185702348 MSVWYEVBEWQJDV-LLVKDONJSA-N 359.430 2.678 0 50 FFAA CCCOc1ccc(CNC(=O)CN2CCC(n3ccnc3)CC2)cc1 109792371 XJHWNAXNPUUALR-UHFFFAOYSA-N 356.470 2.625 0 50 FFAA CCc1ncnc(NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1F 277041193 YWQWOAOYRLCBCQ-YVEFUNNKSA-N 374.464 2.712 0 50 FFAA Cn1nccc1CCC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278438127 OYYQMPMBCKXFLX-LLVKDONJSA-N 355.364 2.501 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280158290 UQAYNCATRJOHSM-BRNNPLJLSA-N 357.372 2.891 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(Cc2cccnc2)CC1 190431631 AMMJOWFZDCXCJK-PMACEKPBSA-N 369.513 2.772 0 50 FFAA COCCCn1cnnc1[C@H](C)NC1CCN(c2ccc(C)cc2)CC1 1506423727 ZGRJAKIWNHQZQP-KRWDZBQOSA-N 357.502 2.943 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@H]2O)on1 1529198890 ONKKZLNQNPBLGL-IAQYHMDHSA-N 354.328 2.677 0 50 FFAA CCN(CCCc1ccccc1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529167593 KHUPOZWWDGGKGU-RTWAWAEBSA-N 366.461 2.724 0 50 FFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)[C@]1(c2ccc(F)cc2)CC1(C)C 1704309038 WKUMCXPSMOAJAJ-HXUWFJFHSA-N 358.461 2.807 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(F)cc(F)c3)C1)CC2 1704338452 AVRVJEUNVSIBPN-HXUWFJFHSA-N 372.419 2.941 0 50 FFAA O=C1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H](Cc2ccccc2)N1 1772702015 OFZSOMQYJFXGLL-AWEZNQCLSA-N 360.816 2.591 0 50 FFAA COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3)n2)cc1 5428375 APWZDDBHKCPNGY-UHFFFAOYSA-N 353.378 2.783 0 50 FFAA O=C(c1cccc(OC2CCN(Cc3ccncc3)CC2)c1)N1CCCO1 11817068 MBMJYTFKZFSYCC-UHFFFAOYSA-N 367.449 2.903 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2c(C)c3cc(CC)ccc3n2C)CC1 12652676 CYMKLHAEYIYMRJ-UHFFFAOYSA-N 357.454 2.963 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cc(C)ncc2OC)c1C 1857675225 OLFRDFWDRJQNAT-UHFFFAOYSA-N 360.458 2.521 0 50 FFAA O=C(Cc1cccnc1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225404504 UGVJWQMTFALFDP-CJNGLKHVSA-N 350.340 2.977 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CCC[C@H](c2nccs2)C1 114742034 KWTLOQRIKCRQDS-ZDUSSCGKSA-N 350.465 2.646 0 50 FFAA COc1ccc(CNS(=O)(=O)c2cnc3ccccc3c2)c(OC)c1 252478536 APAZTGYEXDBGPZ-UHFFFAOYSA-N 358.419 2.731 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2CNc2ncccc2-c2nc(C)no2)cn1 373962509 OVEJEEOPWMWZNK-CJNGLKHVSA-N 354.414 2.846 0 50 FFAA CNC(=O)[C@H](C)CN(C)C(=O)C(F)(F)c1cc(Cl)ccc1Cl 817544781 DQWFXWVUGIZJHA-MRVPVSSYSA-N 353.196 2.926 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2100543377 RBGNPIXXIUDDMK-OAQYLSRUSA-N 366.465 2.526 0 50 FFAA COC(=O)c1sc2ncc(CN[C@H]3CCc4c[nH]nc4C3)cc2c1C 2325725563 BNXCWLAFULXRCO-ZDUSSCGKSA-N 356.451 2.762 0 50 FFAA O=c1[nH]ccn2c(CN3c4ccccc4C[C@H]3Cc3ccccc3)nnc12 2325839042 HEYFJNRAOHFOLN-QGZVFWFLSA-N 357.417 2.592 0 50 FFAA Cc1cccc(CN(C)CCNC(=O)c2ccc(-c3ncon3)cc2)c1 2325868026 MIQOUNJJXKRVFM-UHFFFAOYSA-N 350.422 2.907 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)CC1 2325888267 AMTMHICMSRVOOA-UHFFFAOYSA-N 372.450 2.618 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCC[C@]4(CC3)CNC(=O)O4)n2)cc1 2356158382 ZRFZNUDCVUISJN-FQEVSTJZSA-N 367.453 2.679 0 50 FFAA Oc1nc(-c2cccnc2)nc2c1CCC21CCN(C[C@@H]2CCOC2)CC1 2356165488 BHSGMFYVLZAYGH-HNNXBMFYSA-N 366.465 2.561 0 50 FFAA Cn1c(CCNC(=O)c2csc([C@@H]3CCCO3)n2)nc2ccccc21 133600498 XQWCJNFYSOXDMF-HNNXBMFYSA-N 356.451 2.854 0 50 FFAA CCN1C(=O)N(c2ccc(C(=O)OC)cc2)C(=O)[C@H]1Cc1ccccc1 225559447 GKCDJCOUMFRWPK-QGZVFWFLSA-N 352.390 2.873 0 50 FFAA CCOc1ccc(NC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)cn1 135169744 IQJOFKLGKVUPCO-ZDUSSCGKSA-N 352.398 2.944 0 50 FFAA CC(C)=CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1CCO 22852354 YWLAPFXUFIWXSP-NRFANRHFSA-N 354.498 2.707 0 50 FFAA COCCN(Cc1cncs1)C(=O)Cc1c[nH]c2ccc(OC)cc12 468575814 NNONRNZFLAOBAL-UHFFFAOYSA-N 359.451 2.851 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642804 KJYIVXDPWBUJBQ-ZDDFUZLGSA-N 368.470 2.978 0 50 FFAA in-vitro C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 230130212 ZSXAKJYVNMEIIH-HRCADAONSA-N 357.454 2.853 0 50 FFAA C[C@@H]1CN(CCC(=O)NCCN2CCCC2)Cc2cc(Cl)ccc2O1 11841068 HZLOZEVEMYPNFR-OAHLLOKOSA-N 365.905 2.525 0 50 FFAA CO[C@H](C)c1nc(Cn2nc([C@H]3OCC[C@H]3C)n(C(C)C)c2=O)cs1 328640886 QHNHNMBNOXGSML-BZPMIXESSA-N 366.487 2.935 0 50 FFAA CCn1nc(C)c(NC(=O)[C@@H](C)n2cc(Br)c(C)n2)c1C 2779591 BVFBXXHNWIHUCK-LLVKDONJSA-N 354.252 2.987 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 232756406 WMTGYPSIRZEWJJ-GOSISDBHSA-N 374.462 2.500 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)s1 219326750 XZARPBCBJHYJEK-MYPMTAMASA-N 353.513 2.649 0 50 FFAA Cc1ncnc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)c1C 72425931 AVCSGDSKXWHANI-NRFANRHFSA-N 365.481 2.898 0 50 FFAA Cc1cc(N2C(=O)[C@@H](C3CCOCC3)N=C2O)cnc1N1CCCC[C@H]1C 329284325 LLKYPUVQPBZWSI-RHSMWYFYSA-N 372.469 2.825 0 50 FFAA CCC[C@H](C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1)N(C)C 152691604 JHOOPBSJNGAOAN-GOSISDBHSA-N 367.497 2.523 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)no1 72146828 NSUYVXSWYNGGFY-ZDUSSCGKSA-N 364.396 2.552 0 50 FFAA c1coc(CN2CCC(n3ccnc3-c3cc4n(n3)CCCNC4)CC2)c1 72463056 SQVQNDQNSQFMOD-UHFFFAOYSA-N 366.469 2.670 0 50 FFAA Cc1nc(COc2ccc(CNc3cc(C(=O)N(C)C)ccn3)cc2)no1 158827052 WYRCZQUPRCYBPH-UHFFFAOYSA-N 367.409 2.666 0 50 FFAA Cc1cnc2c(C)cccc2c1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 368496135 YZHLGFODUVCJSY-HXUWFJFHSA-N 352.438 2.666 0 50 FFAA O=C(c1cnc(OCC2CC2)cn1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333804389 GVDPXXFBRZSJHD-WBVHZDCISA-N 357.454 2.687 0 50 FFAA Cc1sc2nc(CCn3ccnc3-c3ccc(CO)o3)[nH]c(=O)c2c1C 72162002 RGSBVVPUHWWIEF-UHFFFAOYSA-N 370.434 2.793 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 72473328 GHHMNDWJPIKIOM-KRWDZBQOSA-N 359.518 2.697 0 50 FFAA CC[C@@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)O)CC1)n1cccc1 72474838 PHNJOVAFMYFBCV-KRWDZBQOSA-N 356.422 2.964 0 50 FFAA CCOc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)cc1OC 378201052 MGBIXGSAGIAVJO-MRXNPFEDSA-N 371.437 2.705 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2cnc(CN3CCCC3)s2)s1 216302382 HSAJNKIAALTKSD-UHFFFAOYSA-N 365.524 2.744 0 50 FFAA CC(C)c1nnc(C(=O)N2CCC(CN3CCCCC3=O)CC2)s1 375095948 ZDVABWAONFAWCI-UHFFFAOYSA-N 350.488 2.526 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1Cc2ccccc2NC1=O 72478517 AHURTBXLWJXROT-FQEVSTJZSA-N 374.444 2.711 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2Cc2cnc(N3CCOCC3)s2)n1 77440562 XJSXNVMNJGQCDO-AWEZNQCLSA-N 363.487 2.823 0 50 FFAA Cc1cccc2c1OC[C@@H](NC(=O)NC1CCN(c3ccccn3)CC1)C2 460126232 VFWBDKALHYKKQY-SFHVURJKSA-N 366.465 2.662 0 50 FFAA COc1ccccc1OC1CCN(C(=O)COC[C@H]2CCCCO2)CC1 77343251 YJAMAYJZLTUMKZ-QGZVFWFLSA-N 363.454 2.651 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC2(CC1)CN([C@H](C)CCC)C(=O)O2 72426023 QOIQEYIIOLQEKZ-CQSZACIVSA-N 362.474 2.978 0 50 FFAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 71747793 OMTMMPDHTYAAFP-WAYYCVMKSA-N 363.763 2.563 0 50 FFAA Cc1c(S(=O)(=O)N2CCCC[C@H]2CCc2cccc(O)c2)cnn1C 72133223 HIEXUGNTEMOLJB-INIZCTEOSA-N 363.483 2.610 0 50 FFAA CCC[C@@H]1CN(Cc2cncn2C2CCCCC2)C[C@H]1NS(C)(=O)=O 82121709 QKJYQCGGFUFMOS-CRAIPNDOSA-N 368.547 2.538 0 50 FFAA COc1ccc(-c2ccc(NS(C)(=O)=O)nc2)c(-n2nc(C)cc2C)c1 426613663 RSGWEGISPORKFX-UHFFFAOYSA-N 372.450 2.931 0 50 FFAA C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1nc[nH]n1 20363035 ACLATSMFAKDXDM-LLVKDONJSA-N 355.423 2.634 0 50 FFAA Cc1cc(-c2cc(C(=O)N[C@@H]3CCCNC3)c3c(C)noc3n2)c(C)o1 178395475 JFAZVBOHCXRKQQ-CYBMUJFWSA-N 354.410 2.890 0 50 FFAA CN(C)CCOc1ccccc1-c1ccc(C(=O)N2CCOCC2)cc1 426700068 PTDMVRYABZAKGX-UHFFFAOYSA-N 354.450 2.766 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@@H]3CN)c2C)cc1 237851369 LQNWUBMKHQGVAC-LJQANCHMSA-N 354.498 2.739 0 50 FFAA Cn1c(CN2CCn3nc([C@H](O)C4CC4)cc3C2)cc2cc(F)ccc21 230527015 HJMFKFSLUKGYPT-HXUWFJFHSA-N 354.429 2.973 0 50 FFAA CCCn1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)c(C)n1 91664281 DUXVXPCBZVCRTJ-UHFFFAOYSA-N 366.465 2.752 0 50 FFAA CSCC[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 96223736 YSSZHPSBVIHLHQ-HNNXBMFYSA-N 355.467 2.999 0 50 FFAA C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239174364 PXIGYTHFAQBCSW-FAENHSFSSA-N 370.836 2.720 0 50 FFAA Cc1nc(-c2ccncc2)nc(N2CCC[C@@H](OC(=O)N(C)C)C2)c1C 296302702 MUNQTHAAVVHKQP-MRXNPFEDSA-N 355.442 2.822 0 50 FFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cccc(-n2cnnc2)n1 97660302 HPZPTGUADMTBPK-CQSZACIVSA-N 373.420 2.886 0 50 FFAA CC(C)CN1CC2(CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)CC1=O 91550420 SJJKLBQKQOFKCC-SFHVURJKSA-N 371.525 2.662 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC(Oc2ccncc2)CC1 244701177 KBPCQYWBTPXORX-HXUWFJFHSA-N 351.450 2.508 0 50 FFAA O=C(CCN1CCC(Oc2ncccn2)CC1)Nc1ccc(F)c(F)c1 244874737 XGJCYJWZEQSWIK-UHFFFAOYSA-N 362.380 2.627 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CC[C@H](CN)C1 299740016 USIKLWYVHKCZFE-NXEZZACHSA-N 361.667 2.677 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)c2)no1 299750361 NFJURMYHIGVHLG-WQVCFCJDSA-N 355.394 2.903 0 50 FFAA O=C(Nc1cccc2c1OCC[C@@H]2O)c1cn(Cc2cccc(F)c2)nn1 185398554 QFKUPDLSGHIDQN-KRWDZBQOSA-N 368.368 2.534 0 50 FFAA c1ccc(-c2nc3c(c(N4CCC[C@H](Cn5ccnc5)C4)n2)CCNC3)cc1 67724842 JMRUTZCLDNZYMC-QGZVFWFLSA-N 374.492 2.902 0 50 FFAA O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN([C@@H]2CCNC2)CC1 299783755 YDWZKCFFDNXDMF-GOSISDBHSA-N 366.465 2.990 0 50 FFAA CN(Cc1ccoc1)Cc1cc(-c2cnccn2)ccc1OCC(=O)O 299770767 RAZQYRLSCLTGQH-UHFFFAOYSA-N 353.378 2.832 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCC(=O)Nc1cccc(O)c1 827984533 VNTCJYGFKMQFSG-MRXNPFEDSA-N 358.442 2.539 0 50 FFAA Cc1ccc(NCCCN[C@@H](C)Cn2cnc3ccccc3c2=O)nc1 821502250 XVEUJMOUYQMWLE-INIZCTEOSA-N 351.454 2.580 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 268943905 NOZSCKXCFJBBJB-JKSUJKDBSA-N 353.374 2.576 0 50 FFAA COc1ccccc1[C@H](C)CNC(=O)Cc1cnn(-c2ccccc2)n1 1875252830 PWNWCZYQOJTRSW-OAHLLOKOSA-N 350.422 2.738 0 50 FFAA Cn1nc(O)cc1C(=O)N[C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 1875294975 ZZTTWPASFPGGRW-CQSZACIVSA-N 355.316 2.905 0 50 FFAA CCn1nc2c(c1C(=O)N1CC(=O)Nc3ccccc3C1)C[C@H](C)O[C@@H]2C 1875314423 XGNIFOOJLAPTOY-QWHCGFSZSA-N 368.437 2.520 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)c1cc(C)nc3cc(F)ccc13)C2 952963283 GRJMELNUYUOVCV-UHFFFAOYSA-N 368.412 2.590 0 50 FFAA CO[C@@H]1CC[C@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C 889314885 NESULLKAHMNYSM-DGCLKSJQSA-N 352.232 2.585 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N[C@H]1CCOC[C@@H]1OCC1CC1 1565531481 XRYLSKDIQMGJBS-YJBOKZPZSA-N 363.454 2.553 0 50 FFAA Cc1c(NC(=O)c2ccc(N(C)C)cn2)cccc1C(=O)N1CCCC1 170595786 RUXUPDNNCGXUBU-UHFFFAOYSA-N 352.438 2.944 0 50 FFAA C[C@H](NS(=O)(=O)Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 170616392 RFZSAGHIPQKTAL-ZDUSSCGKSA-N 364.433 2.769 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CC(c2ccncc2)C1 1506425739 CXYQHASPDSWTRM-UHFFFAOYSA-N 361.448 2.895 0 50 FFAA COCCSc1nnc(NC(=O)[C@H]2CCCN(C3CCCC3)C2)s1 1529109943 HFSOHOFHBYLUGF-LBPRGKRZSA-N 370.544 2.870 0 50 FFAA O=C(O)CN1C[C@@H]2CN(Cc3nccs3)C[C@@]2(CCc2ccccc2)C1 1772813940 BWQHDYSTMDJMEV-PXNSSMCTSA-N 371.506 2.594 0 50 FFAA Cc1ccc2oc(N3CCCN(C(=O)c4cnc(C)cn4)CC3)nc2c1 1772806627 CXUQKXGKQGVENY-UHFFFAOYSA-N 351.410 2.587 0 50 FFAA O=C(CCC1CCN(Cc2ccc3c(c2)CCO3)CC1)NC[C@@H]1CCCO1 11842081 MSUZYJBRWYRMCA-FQEVSTJZSA-N 372.509 2.909 0 50 FFAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 11911590 UVVVXCQISVONOZ-INIZCTEOSA-N 364.449 2.779 0 50 FFAA COc1cccc(CC[C@H]2CCCN(C(=O)CN3CCCCC3=O)C2)c1 12373579 ZETPGUHDGXIIJT-GOSISDBHSA-N 358.482 2.879 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3csnn3)CC2)c1 14978275 MDVPWPPXXIRHEU-UHFFFAOYSA-N 374.466 2.818 0 50 FFAA CSc1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 19418209 VZJPCKRCRODEBT-GXDHUFHOSA-N 350.465 2.735 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(Br)c1 168182056 NLDSSGYILWJOCN-FVCCEPFGSA-N 354.200 2.574 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cnn(Cc2ccccc2)c1 1857674954 FHXWEXDQEIFLFN-SQGPQFPESA-N 353.422 2.789 0 50 FFAA Cn1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c(C2CCCCC2)n1 408079461 JIOHEBGSMQVEHU-HNNXBMFYSA-N 368.485 2.860 0 50 FFAA CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1csc(O)n1 329937184 LJTVEOVJZQFZQG-YIONKMFJSA-N 371.462 2.757 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@@H]1CCn2ccnc2C1 333151414 FSQDNZMOWKCMOJ-CQSZACIVSA-N 359.857 2.921 0 50 FFAA Clc1ccccc1[C@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCO1 333282214 PQVYLOMBULBTTQ-RHSMWYFYSA-N 374.872 3.299 0 50 FFAA CNC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 237182652 HUHBJWKYGNFUFI-KGLIPLIRSA-N 369.303 2.983 0 50 FFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1CCC(=O)NC1 333743793 YKGLSYMINUUYAV-WWGRRREGSA-N 350.846 2.545 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@@H]3C(=O)O)c2C)cc1 237851322 YNCHOPWHJVXCJE-LJQANCHMSA-N 369.465 2.865 0 50 FFAA CN(C(=O)CCc1nc(-c2ccco2)no1)[C@H]1CCCc2c1cnn2C 154470009 GSLUCYHMMTYKOA-ZDUSSCGKSA-N 355.398 2.532 0 50 FFAA CCn1ncnc1CNC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 366365896 BQRPDYXAAFNVSG-UHFFFAOYSA-N 368.441 2.837 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1 262806244 SOURJTGNPMKAHT-KRWDZBQOSA-N 355.390 2.678 0 50 FFAA CO[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O)[C@H]1CCOC1 857569646 SYIWNGKSFZPSIE-WFASDCNBSA-N 360.435 2.504 0 50 FFAA CCOc1ccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cc1 709891 YALAXCICQTUZDA-KRWDZBQOSA-N 352.434 2.797 0 50 FFAA Cc1cc(CNC(=O)c2nc(N3CCOCC3)ncc2Cl)c(C)s1 2325736158 NYSLWKFHVLVVDQ-UHFFFAOYSA-N 366.874 2.575 0 50 FFAA CO[C@@H]1CN(C(=O)C[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)[C@H]2COC[C@@H]12 2325783389 WBMZRLLJUOWVMP-DMRKSPOLSA-N 351.487 2.623 0 50 FFAA COC(=O)[C@H]1Cc2ccc(Cl)cc2CN1C(=O)[C@@H]1CC12CCOCC2 2325822975 ABAPNUPIONRFOA-JKSUJKDBSA-N 363.841 2.583 0 50 FFAA CCCN(C(=O)c1csc(NC(C)=O)n1)C1CCN(C(C)C)CC1 2325854097 OAGNRWKQIRQESY-UHFFFAOYSA-N 352.504 2.827 0 50 FFAA CN(Cc1nc2ccccc2s1)C1=NC[C@H](c2ccc(CO)cc2)N1 2325863436 JVRFTFZINWAWPW-MRXNPFEDSA-N 352.463 2.921 0 50 FFAA Cn1cncc1[C@@H](O)C(=O)N1CCC[C@H]1c1ccc(Br)s1 2325868757 JMVYLWIEYABAOV-TVQRCGJNSA-N 370.272 2.641 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 811984 OLJRHPJSGQORON-UHFFFAOYSA-N 372.899 2.921 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCn3c(O)nc4ccccc43)C[C@H]21 2356146718 RSWMSSDSZMXMRR-MDOVXXIYSA-N 357.454 2.532 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2CCC[C@]23CCCNC3=O)cc1 2356158096 CQHQEXQBGHSYBN-IBGZPJMESA-N 364.511 2.853 0 50 FFAA CC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 7708110 HTANYYOUCHSRNC-UHFFFAOYSA-N 358.419 2.817 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 8246468 ORBWVYCHCKYZOL-UHFFFAOYSA-N 370.405 2.947 0 50 FFAA O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Br)cc1 247419860 YWWHZSKKCNIJRC-ZIAGYGMSSA-N 371.300 2.594 0 50 FFAA CCOc1c(Br)cc(CNCC2CCNCC2)cc1OC 10434577 MRLMZLJGPYZJKY-UHFFFAOYSA-N 357.292 2.946 0 50 FFAA COc1ccc(-c2nccc(N3CCC(O)CC3)n2)c2ccc(C)nc12 65529806 HJAIDGVJPACXDB-UHFFFAOYSA-N 350.422 2.970 0 50 FFAA O=C(c1ccccc1)N1CCC(C(=O)N2CCC3(CCNCC3)CC2)CC1 252496473 PJFIXQCJZHCZFQ-UHFFFAOYSA-N 369.509 2.531 0 50 FFAA Cc1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)c(OCC2CC2)c1 121670868 UDFBVJZOOWTDSM-UHFFFAOYSA-N 374.481 2.875 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2)nc1 67803198 WRHMQOIMQUTVIC-INIZCTEOSA-N 364.449 2.811 0 50 FFAA CC[C@@H](C)n1ncc(NC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1C 331589000 GTWRBEQKOBBJGT-OCCSQVGLSA-N 357.462 2.946 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(Cc2ccccc2)=NO1 12053208 RTSICOKOQFFNET-QZTJIDSGSA-N 358.438 2.708 0 50 FFAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc(F)cc2)C3)cc1 4753497 FZFQWEDONNWPQG-SFHVURJKSA-N 367.380 2.831 0 50 FFAA COC(=O)c1ccccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 6397479 YHYVRTKZGUXPCY-UHFFFAOYSA-N 371.462 2.698 0 50 FFAA CN(C)C(=O)c1ccc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)nc1 72410817 OROQSDVXZOEEJT-IBGZPJMESA-N 364.493 2.827 0 50 FFAA N=C(O)CC1(NS(=O)(=O)c2cc(F)ccc2Br)CCC1 332464132 QJEOWFBKBBVZFZ-UHFFFAOYSA-N 365.224 2.715 0 50 FFAA CCOc1ccccc1OCC(=O)NC(C)(C)C(=O)NCC(C)(C)C 125125036 QXQHLESNVLKFJK-UHFFFAOYSA-N 350.459 2.521 0 50 FFAA O=C(CSc1cnn[nH]1)NCc1ccc(COc2ccccc2)cc1 155848876 QAEOFNZWNLJIFT-UHFFFAOYSA-N 354.435 2.792 0 50 FFAA Cc1c(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cnn1-c1ccccn1 155988902 CZQFSVQFCQIXBZ-QGZVFWFLSA-N 364.405 2.996 0 50 FFAA CC[C@@H]1CN(C(=O)CCCc2cn[nH]c2)CCC(=O)N1Cc1ccccc1 71746519 FTQHWDXXKMMKAA-LJQANCHMSA-N 368.481 2.772 0 50 FFAA O=C(c1cc(NCC2CCN(C3CCCC3)CC2)ccn1)N1CCOCC1 72165314 QPBRIFZQOXGXDN-UHFFFAOYSA-N 372.513 2.621 0 50 FFAA Cc1ccc2nc(C3CCN(C(=O)c4cnc(N)nc4C)CC3)[nH]c2c1 215861208 WEDBRRDLFPIWKT-UHFFFAOYSA-N 350.426 2.572 0 50 FFAA CSCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccoc3C)CC[C@H]21 72458652 XKPNJVNDRXAMAX-GOEBONIOSA-N 350.484 2.794 0 50 FFAA C[S@@](=O)c1ccc(NC(=O)NC2CCN(c3nccs3)CC2)cc1 377195495 FQFCTTFBUMIGJX-XMMPIXPASA-N 364.496 2.671 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccc(C)n3)ncn2)c(C)c1 72115580 RSNPBCFWTWAXDH-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1cccc(CN2CCN(c3noc(-c4ccccc4)n3)CC2=O)c1 77301116 FJQFXKMWTFXCJR-UHFFFAOYSA-N 364.405 2.594 0 50 FFAA Cc1ccccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 218931449 QHEIYZJCWFALLF-OAHLLOKOSA-N 368.408 2.777 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCc2nc(-c3cccnc3)[nH]c2C1 215260856 FYOHXKBPAGZORO-UHFFFAOYSA-N 357.801 2.631 0 50 FFAA O=C(O)c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 238105658 OAMSPBNVMUPQNR-UHFFFAOYSA-N 357.381 2.889 0 50 FFAA Cn1c(CNC(=O)Cn2ccc(=O)c3ccccc32)cc(Cl)c1Cl 158594268 NLCPMRQTKVVUDT-UHFFFAOYSA-N 364.232 2.963 0 50 FFAA O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1CCOc2cc(O)ccc2C1 376654169 OGOWSUBKIHVJJE-DLBZAZTESA-N 356.426 2.677 0 50 FFAA CCn1cc(C2CCN(C(=O)C3CCN(CC(F)F)CC3)CC2)cn1 376655281 BMWRNYLDKJRWLB-UHFFFAOYSA-N 354.445 2.586 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(Cn2cccn2)c1 216329882 VNFBWJSERHAVMQ-IBGZPJMESA-N 350.422 2.786 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CCCC[C@H]1C(=O)O 136472817 FDARZMDJLKDOMU-KRWDZBQOSA-N 359.401 2.636 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)n1 77535068 JHGLPKLADSFELY-HXUWFJFHSA-N 357.454 2.707 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(OC(F)F)cc1)CCC2 174682365 YDCKWJHUJVESCT-UHFFFAOYSA-N 368.405 2.888 0 50 FFAA COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1 285287941 IUMBQCLJGHKRLY-MYKSZAICSA-N 361.482 2.967 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c(C)c1 17072791 HJLFNGWSJJYNAL-UHFFFAOYSA-N 350.509 2.871 0 50 FFAA Cc1noc(CCCNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 287218547 DHLWVQALIOFHDN-KZNAEPCWSA-N 370.453 2.525 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H](c1cccnc1)N1CCCC1 95391965 CYFAFPKKIBKUKY-GOSISDBHSA-N 369.469 2.918 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)s1 95379111 AISCBEZIAHBYDE-YWZLYKJASA-N 371.458 2.637 0 50 FFAA CCc1nc2c(N3CCC4(CC3)CC(=O)N(CC(C)C)C4)ncnc2o1 91602522 QBCQZFMIZNADMH-UHFFFAOYSA-N 357.458 2.655 0 50 FFAA CN1CCN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)CC1(C)C 97505355 MHKNWDDIAPCWTC-UHFFFAOYSA-N 369.465 2.738 0 50 FFAA Cc1cc(C)c(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)c(C)c1 95502177 CTNRLEQNFWFOPX-LJQANCHMSA-N 365.477 2.714 0 50 FFAA COc1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)ccc1F 91636120 YERSLXZVYNYRKJ-SJLPKXTDSA-N 369.440 2.966 0 50 FFAA CC(C)[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)c2ccccc2N1 294796960 BEESVMMWXLTWSA-HOCLYGCPSA-N 350.484 2.685 0 50 FFAA COc1nc2c(cc1CN1CCC[C@@H](c3ncc[nH]3)C1)C(=O)N(C(C)C)C2 244787974 QHFDVKWLYRHNAW-CQSZACIVSA-N 369.469 2.557 0 50 FFAA O=C(CCN1CCC[C@H](OCc2ccccn2)C1)NCc1cccs1 244887887 YQCZOBLJHIYLFW-KRWDZBQOSA-N 359.495 2.831 0 50 FFAA Cc1nn(CC(=O)N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)cc1Cl 244673895 HXPUVFCOKUTOME-YOIRWDDOSA-N 369.799 2.752 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 245310786 KQTVMNOZJVHFJY-NCYKPQTJSA-N 372.424 2.787 0 50 FFAA COC[C@](C)(CCO)NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 182875038 RUNVDJBLKLDPDI-NRFANRHFSA-N 373.497 2.988 0 50 FFAA COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1OC 298164964 YEKDNADVLJYQPA-HNNXBMFYSA-N 356.378 2.774 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@H](Oc2cccc(F)c2)C1 183248210 JUMROGYVADANLG-INIZCTEOSA-N 363.410 2.603 0 50 FFAA Cn1ccnc1CCNC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1 299759860 OBLJGBXHLUBUFA-UHFFFAOYSA-N 364.449 2.682 0 50 FFAA O=C1C[C@H](CN2CCN(C3CCSCC3)CC2)CN1c1ccccc1 299791946 DHHCAWYZUPAPLD-QGZVFWFLSA-N 359.539 2.553 0 50 FFAA Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cccc1-c1nncn1C 827693367 VJWFOKTVFYBAQT-AWEZNQCLSA-N 367.453 2.520 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](c2ccsc2)O1 268311277 BOHNRZUSFSSSNT-FZMZJTMJSA-N 363.464 2.775 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N[C@@H]1C[C@H]1c1ccc(F)cc1F 1875268634 ZAIDXTLDIVATRW-DZGCQCFKSA-N 363.364 2.946 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(C)(c2ccccc2F)C1 1875314529 CURVGDXVKVEXOO-OLZOCXBDSA-N 357.429 2.995 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOc3cccc(F)c3)nn(C)c21 1875401963 XMKDLGNXUIUPNZ-OLZOCXBDSA-N 361.417 2.732 0 50 FFAA CCc1cc(S(=O)(=O)N(C)[C@@H](COC)c2ccccn2)ccc1OC 952985825 DTLGUQSHSMMHKD-KRWDZBQOSA-N 364.467 2.661 0 50 FFAA COCc1cc(C2CN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)C2)no1 886084676 YDRXAGWUJVMVPA-MRXNPFEDSA-N 350.802 2.524 0 50 FFAA COc1cccc([C@@H](C)N2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccnn2C)c1 886096514 KQVDKBUHZJEEHE-MRAWALMUSA-N 357.410 2.554 0 50 FFAA CCC[C@]1(CO)CCN(C2CCN(CCc3ccccc3)CC2)C[C@H]1O 1529145829 HPUZTVMERGIRQG-FGZHOGPDSA-N 360.542 2.539 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cc2ccccc2[nH]1 1565515155 ACBZQSDKJBFRFV-RDJZCZTQSA-N 357.435 2.729 0 50 FFAA O=C(N[C@H]1CCN(Cc2cc3ccccc3s2)C[C@@H]1O)c1ccncc1 1565516838 FODCYWCJLVMKLQ-ROUUACIJSA-N 367.474 2.662 0 50 FFAA CCN(CC)S(=O)(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565512626 HYLZXLVSLXNZHX-MOPGFXCFSA-N 362.495 2.577 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Nc1cccc(F)c1 1565528417 RLLUQJWZGUJXGW-PBHICJAKSA-N 368.412 2.989 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 272363910 SPOFVLLWPGWRKZ-BQFCYCMXSA-N 359.514 2.564 0 50 FFAA C[S@](=O)C[C@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1 170649103 KWDZMZFXSKQPSO-BSEYFRJRSA-N 360.460 2.966 0 50 FFAA COCCOCCOc1ccc(Cn2cnc(C3CCC3)cc2=O)cc1 170605625 VFALWXZKPBLLNS-UHFFFAOYSA-N 358.438 2.601 0 50 FFAA Cc1cc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n[nH]1 280047069 OOSMZOWUHYMCGX-IUODEOHRSA-N 353.344 2.614 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)N(C)C)C2 1073368560 DOKABZJJXLSNPD-OCCSQVGLSA-N 365.861 2.567 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)Cn2cc3ccccc3n2)C[C@@H]1O 210330965 CXGGWJZUOHMSED-RDJZCZTQSA-N 355.463 2.783 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(N4CCCC4)cc3)C[C@@H]2CC1=O 1529109575 FZTJZBCXOXZOTI-ZIFCJYIRSA-N 355.482 2.616 0 50 FFAA CCOCCc1nnc(NC(=O)C2CCN(Cc3ccco3)CC2)s1 1529090954 LEQPWCXQGOUTGM-UHFFFAOYSA-N 364.471 2.561 0 50 FFAA c1ccc([C@@H]2Cc3nnc(-c4csc(N5CCOCC5)n4)n3C2)cc1 1800413405 GBCIKNWBFGYAFP-CQSZACIVSA-N 353.451 2.578 0 50 FFAA O=C(NCCCn1ccnc1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772806763 KKAPYQYHEFCGLW-HNNXBMFYSA-N 367.478 2.713 0 50 FFAA Cc1nc(NCC[C@H]2CCCCN2S(C)(=O)=O)c2ccsc2n1 1772710154 VSGBXXZUHDJYMA-GFCCVEGCSA-N 354.501 2.616 0 50 FFAA Cc1noc(C)c1C(=O)N1CCCN(c2ncnc3ccccc23)CC1 1772816931 YKONEHSHKYTCOV-UHFFFAOYSA-N 351.410 2.587 0 50 FFAA CN1CCCc2cc(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3)ccc21 11932691 CYTVPJXHPQHVHT-FQEVSTJZSA-N 364.493 2.858 0 50 FFAA Cc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cc[n+]([O-])cc2)C1 12192870 DYEKPYLXSNAQBU-LJQANCHMSA-N 367.493 2.655 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 12448534 BGSLPSTYBJUMIS-QGZVFWFLSA-N 372.557 2.981 0 50 FFAA CC(C)CCN1CCN(Cc2cccn2-c2cccnc2)C[C@@H]1CCO 19720671 YGWXSXSOLSACMZ-FQEVSTJZSA-N 356.514 2.787 0 50 FFAA CN1CCOC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)CC1=O 1857685023 ACSRQFHETDRFDE-UHFFFAOYSA-N 354.397 2.501 0 50 FFAA Cc1ccncc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857722675 NIWATAQOXRIURU-ZIFCJYIRSA-N 371.868 2.988 0 50 FFAA OC[C@H]1[C@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@]23CC[C@H]1O3 1857735249 AHISEJZHEJYCDL-DXBBTUNJSA-N 366.461 2.632 0 50 FFAA COc1cccc(N2CCC[C@@H](NC(=O)c3cccc4c3OCO4)C2)c1 117181718 YCDCNBHBPDMQIA-CQSZACIVSA-N 354.406 2.823 0 50 FFAA CC(C)N1CCO[C@@H](c2nc(-c3ccc(N4CCCCC4)nc3)no2)C1 253430137 JSODHIPRJPQTJV-MRXNPFEDSA-N 357.458 2.904 0 50 FFAA COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc(C(=O)O)c1 261751216 JTOJJNXCUXIDRJ-UHFFFAOYSA-N 368.389 2.882 0 50 FFAA O=C(c1cc(Oc2ccccc2)ccn1)N1CCCN(C(=O)C2CC2)CC1 158287376 HAKXXYRERFMYQM-UHFFFAOYSA-N 365.433 2.958 0 50 FFAA C[C@H](N[C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc2ncccc12 905851948 AVNRUHFLXJNYTI-JVPBZIDWSA-N 370.522 2.731 0 50 FFAA O=C(O)[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 238004282 AWKCXMLYRSFZAT-MOPGFXCFSA-N 352.434 2.841 0 50 FFAA C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 969206 DXEFUZJKOAJWMG-SMDDNHRTSA-N 351.244 2.813 0 50 FFAA COc1ccc(C2(CNC(=O)c3cccc4ncnn34)CCCC2)cc1 2100555518 VEKXNDLHJRRUGH-UHFFFAOYSA-N 350.422 2.980 0 50 FFAA FC(F)(F)c1c(-c2nc(-c3ccncn3)no2)nnn1-c1ccccc1 2325734103 ASGYAIOPTJWIQH-UHFFFAOYSA-N 359.271 2.793 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1occc1-c1ccccc1 2325786031 YWOZRAIJKCEZHC-ZTFGCOKTSA-N 351.406 2.713 0 50 FFAA CN(C/C=C/c1ccccc1)C(=O)CN1CCC[C@H](C(F)(F)F)C1=O 2325825342 NDVYTAXELJWMIX-BOSPYUDASA-N 354.372 2.959 0 50 FFAA O=C1NCCOc2ccc(CNCc3ccsc3-n3cccc3)cc21 2325857246 UXAYEEHKWPQPAX-UHFFFAOYSA-N 353.447 2.951 0 50 FFAA CCN1C(=O)N[C@H](c2cc(Cl)cc(OC)c2OC)C(C(=O)OC)=C1C 1074841 STLRIJPFLVPOQN-CQSZACIVSA-N 368.817 2.890 0 50 FFAA O=C(COc1ccc(I)cc1)NCc1ccco1 1074953 ZJQMIJMLPHAEMI-UHFFFAOYSA-N 357.147 2.579 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2nn(C)c3cccc(Cl)c23)CC[C@H]1O 2356146474 HZZBAWUOFFIUDF-CRAIPNDOSA-N 365.861 2.664 0 50 FFAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(CCc3ccccc3O)n21 2356159201 QNFJEEWARDRTGK-OAHLLOKOSA-N 362.433 2.872 0 50 FFAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1cnc(N2CCCCC2)nc1 2356166534 BSCXGNDHIPCROE-NRFANRHFSA-N 369.513 2.586 0 50 FFAA COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O 4098820 MHXCIKYXNYCMHY-AUSJPIAWSA-N 360.406 2.654 0 50 FFAA biogenic,in-vitro O=C(O)COc1ccccc1CN(Cc1ccccn1)C[C@H]1CCCO1 55413990 XBLUINGJMCYSJD-GOSISDBHSA-N 356.422 2.726 0 50 FFAA CCC(=O)Nc1cccc(OCC(=O)NCCCNc2ccc(C)cn2)c1 55342637 BYCMNMGFYXJRHD-UHFFFAOYSA-N 370.453 2.736 0 50 FFAA Cc1ccc(OC2(C(=O)N(C)Cc3nc(C(C)C)no3)CCNCC2)cc1 65455510 ZEGGDMFWOTWADV-UHFFFAOYSA-N 372.469 2.661 0 50 FFAA CN1CCN(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)CC1 20726531 ZARCFDMHCXDNPS-UHFFFAOYSA-N 351.450 2.953 0 50 FFAA O=C(NCCCCN1CCCCCC1)[C@@H]1CCC(=O)N(C2CCCC2)C1 39550655 PFCWRKAJWFLEHV-GOSISDBHSA-N 363.546 2.940 0 50 FFAA CCOC(=O)C[C@@H]1COCCN1Cc1c[nH]nc1-c1ccc(C)c(C)c1 20917601 FFYDZKNJFMTPLY-GOSISDBHSA-N 357.454 2.848 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CCN1 67435087 QFIHCBSVVBWVGB-CQSZACIVSA-N 357.479 2.849 0 50 FFAA C[C@@H]1CN(c2ccccc2)CCN1Cc1cnc(N2CCOCC2)s1 67846787 ZVZXQHMRGMUGLZ-MRXNPFEDSA-N 358.511 2.690 0 50 FFAA COC(=O)c1sc(NC(=S)NCc2ccco2)c(C(=O)OC)c1C 8275856 MXUPXMIDZOLCIP-UHFFFAOYSA-N 368.436 2.709 0 50 FFAA CSCCCN1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77504915 HZAKUUAIZASVJG-UHFFFAOYSA-N 351.564 2.734 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)NCc1cccnc1N(C)C 124190404 BTPFSRMFPASWNY-MRXNPFEDSA-N 352.482 2.995 0 50 FFAA CCn1c([C@@H]2CCCN2C(=O)c2ccoc2CC(N)=O)nc2ccccc21 367554214 SHEWKDFVDLXJOW-INIZCTEOSA-N 366.421 2.654 0 50 FFAA OC1CCN(c2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)ncn2)CC1 71681923 XCTWVXWSSHMDQR-KRWDZBQOSA-N 374.872 2.669 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)C[C@H]3CCCCN3C)CC2)OC1=O 77390193 UKTZPYANHMTZGL-QGZVFWFLSA-N 365.518 2.720 0 50 FFAA COc1ccc(F)c(CN2CCC[C@](O)(CN(C)CCC(C)C)C2=O)c1 71315656 FQBYELOUBGZUDU-FQEVSTJZSA-N 366.477 2.666 0 50 FFAA COCCN(Cc1ccccn1)C(=O)c1cc(OC)nc2ccccc12 216538986 WZEPGUFHRFCCFW-UHFFFAOYSA-N 351.406 2.927 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@@H](CCc3ccc(F)cc3F)C2)n1 72146647 KZNPPIHTFBHBBH-LBPRGKRZSA-N 364.396 2.552 0 50 FFAA O=C(Cc1ccc2ccccc2c1)N1CCN(c2ccc3nccn3n2)CC1 215798805 XCUCFWUAYUNWLT-UHFFFAOYSA-N 371.444 2.774 0 50 FFAA O=C(O)c1ccoc1CC1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 374124156 CFKZKQIDYOXTKZ-MRXNPFEDSA-N 355.390 2.935 0 50 FFAA COCC1(C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)CCC1 216288943 MMHKHCWOIWKUNP-UHFFFAOYSA-N 352.425 2.862 0 50 FFAA CCN(C[C@@H](O)COc1ccccc1)C(=O)c1c(C)nc2ccc(C)cn12 216448160 REWJHUCSXNLDGS-QGZVFWFLSA-N 367.449 2.853 0 50 FFAA CC(=O)OC[C@H](NC(=O)c1ccccc1)[C@H](OC(C)=O)c1ccccc1 71769202 SGBVBMQGCSQXIP-RBUKOAKNSA-N 355.390 2.653 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)CCn3cnnc3)C2)cc1 77342195 GXPXHAKFOGYPEH-KRWDZBQOSA-N 364.453 2.773 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)C3(Cn4cccn4)CC3)C2)cc1 77517682 UDVLWAXLYQATFJ-KRWDZBQOSA-N 369.465 2.990 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cc2o1 223780587 MGPGAJDNTZKJEO-NVXWUHKLSA-N 373.434 2.697 0 50 FFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1CCO[C@H]1c1nccn1C 285286499 UNZNAQVMMDLIAU-JGGQBBKZSA-N 359.474 2.635 0 50 FFAA CN(C)c1ccc(C(=O)NCC2(N3CCCCC3)CCOCC2)c(F)c1 130991515 NAKUQYXIGMXVDG-UHFFFAOYSA-N 363.477 2.657 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@H]1CCC(=O)N(C)C1)OCCCO2 82086559 HMDNBGCBCWMGKD-ZDUSSCGKSA-N 357.410 2.513 0 50 FFAA O=C(NCc1ccccn1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 18126320 WUJDNNIQSYRPRI-BAUKFBFWSA-N 371.872 2.938 0 50 FFAA Cc1nc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc1-c1ccccc1 225697424 FBXYUMIGGZBMFX-SYQHCUMBSA-N 358.419 2.935 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)NCc3cc(C4CC4)n[nH]3)[nH]c2c1 426497309 UFLQQGYIFVDRET-UHFFFAOYSA-N 368.441 2.556 0 50 FFAA Cc1nc(CCNC(=O)c2ccc([C@H]3CCCN3)s2)nc2c1CCC2 20364018 PJYYWTPRXLCBQU-OAHLLOKOSA-N 356.495 2.732 0 50 FFAA C[C@@H](C1CCN(C(=O)CCc2cccc(F)c2)CC1)N1CCN(C)CC1 82120760 VCCNIYUWBAKCML-KRWDZBQOSA-N 361.505 2.633 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCCn3ccnn3)cc2)c(OC)c1 426489900 LCSFQBXUMAQLQH-UHFFFAOYSA-N 366.421 2.782 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCc1cccc(OC)c1OC)C2 92066369 FHKXXWCAKDWSAS-INIZCTEOSA-N 371.433 2.622 0 50 FFAA CN1CCN(C(=O)c2ccnc(-c3cc(F)cc4cccnc34)c2)CC1 97831183 CBLFROAQGGQRON-UHFFFAOYSA-N 350.397 2.824 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1 426386241 BDJHXILBGPLZFV-LJQANCHMSA-N 366.465 2.804 0 50 FFAA COc1ccccc1-n1nc(CCc2ccccc2)nc1CNC(C)=O 95360627 ZSOSKMKAWVATCZ-UHFFFAOYSA-N 350.422 2.697 0 50 FFAA CCN1CCC[C@](C)(C(=O)NCCc2csc(-c3ccncc3)n2)C1 95372394 SRHRREBBEPFBPT-IBGZPJMESA-N 358.511 2.986 0 50 FFAA Cc1nc(NC[C@H](c2ccccn2)N2CCOCC2)c2sccc2n1 95363133 FJNWKSCKYXVFDB-MRXNPFEDSA-N 355.467 2.880 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 91644992 XDRNREJTZBXQPN-CQSZACIVSA-N 357.385 2.777 0 50 FFAA COc1cccc(N2CCN(c3nc4c(s3)c(C)nn4C)[C@@H](C)C2=O)c1 95527726 PUPKAQFAMRFTIA-LBPRGKRZSA-N 371.466 2.589 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCC[C@@H](OCc2ccccc2)C1 97307694 QBDPKUFWCSTCOI-LJQANCHMSA-N 354.450 2.755 0 50 FFAA COc1cccn(CCCN2CCN(c3cccc(Cl)c3)CC2)c1=O 95498474 SSMPRIWDBQJDEC-UHFFFAOYSA-N 361.873 2.723 0 50 FFAA O=C(C1CCN(C2CCCCC2)CC1)N1CCN(c2nccs2)CC1 95355022 ZGMODEKTOLSPEK-UHFFFAOYSA-N 362.543 2.836 0 50 FFAA O=C1C[C@]2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)Oc2ccccc21 97568851 JXDHEFHDQSPKOF-NRFANRHFSA-N 374.400 2.722 0 50 FFAA COc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)ccc1OCc1ccccc1 299741576 GNVCGFSBAZOGDP-MRXNPFEDSA-N 355.390 2.821 0 50 FFAA CC(=O)N1CCO[C@@H](CNC(=O)Nc2cccc(Cc3ccccc3)c2)C1 299769757 UKBXDKWDVJNKNC-FQEVSTJZSA-N 367.449 2.646 0 50 FFAA CCn1nc(C)c(NC(=O)NCc2csc(-c3cnccn3)n2)c1C 299767814 VFKNHDDPGULMDE-UHFFFAOYSA-N 357.443 2.755 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)N1CCCO[C@@H](CN2CCCC2)C1 299757904 IGWHTHORBUHZQG-IBGZPJMESA-N 369.469 2.591 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1C 299778380 HFJKWYGJCUPFGX-CQSZACIVSA-N 360.845 2.534 0 50 FFAA C[C@H]1Cc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2O1 299758926 FNUNVWHVYCCOMZ-INIZCTEOSA-N 358.482 2.775 0 50 FFAA CC(C)c1ocnc1-c1nc(CC(N)=O)nn1-c1cccc2c1CCC2 826841912 DWAJWOJMLOOBDN-UHFFFAOYSA-N 351.410 2.562 0 50 FFAA COCCn1cncc1CNC(=O)[C@@H]1CCCc2c1[nH]c1ccccc21 824466308 OWFNWNVRNPMJPA-QGZVFWFLSA-N 352.438 2.747 0 50 FFAA CN(Cc1nc2ccccc2[nH]1)C(=O)NC[C@@H]1CCN(C2CCCC2)C1 584897312 NXEQZIZFGUZZQS-HNNXBMFYSA-N 355.486 2.969 0 50 FFAA FC(F)(F)[C@@]1(c2nc(-c3cnccn3)no2)CCN(c2ccccn2)C1 952894120 MDOLMKHTURRSNP-HNNXBMFYSA-N 362.315 2.632 0 50 FFAA C[C@H](NC(=O)N1CCC[C@H](c2cc(O)cc(F)c2)C1)[C@H](C)n1cncn1 1875294888 XZLZOCGAYWJQAM-IHRRRGAJSA-N 361.421 2.662 0 50 FFAA CC(C)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1)c1nccs1 1875258964 RZBWOUFBUBSODO-UHFFFAOYSA-N 356.407 2.927 0 50 FFAA C[C@@H]1c2cccnc2CCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C 1875293888 GSQRWDDPIDUFOA-AEFFLSMTSA-N 352.482 2.883 0 50 FFAA C=CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875385895 DVUMGBDKQJBWTE-STQMWFEESA-N 354.372 2.847 0 50 FFAA Cc1cc(C(=O)N2CC[C@@](C)(CNC(=O)C3(C)CC3)C2)cc2nc[nH]c12 1875344221 HLUWGKWMBLKIJF-IBGZPJMESA-N 354.454 2.640 0 50 FFAA CNC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(CC(C)C)s1)C2 1875394609 PDMVXEPNLJNVIW-NJZAAPMLSA-N 373.478 2.922 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3ccc4c(c3)CCO4)C2)ccn1 886056946 XSSMOFAGXOHPMG-HXUWFJFHSA-N 353.466 2.731 0 50 FFAA C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 412582488 DKSZMWUEBVCFJX-ZMYBRWDISA-N 354.425 2.732 0 50 FFAA C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCS(=O)(=O)CC1 187092841 HPLYCQGDPKDLBE-ORAYPTAESA-N 365.495 2.712 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1[nH]nc(N)c1-c1ccccc1 1506401083 BVHXCOVEYYOGGD-UHFFFAOYSA-N 364.384 2.947 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3csc(-c4ncccn4)n3)C[C@H]2C1 1529154933 MAZLFUMTOQRJRK-NMWPEEMBSA-N 371.510 2.791 0 50 FFAA CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1 11719068 XLTDFDCLXCZMHL-UHFFFAOYSA-N 361.471 2.802 0 50 FFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1[nH]nc2c1CCCC2 12207549 ZHWBPSFUICNKTD-QGZVFWFLSA-N 364.493 2.650 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@H](NC2CCCC2)CC3)o1 14753276 XLQGZVFOVMVFQL-OAHLLOKOSA-N 356.470 2.641 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 1857670649 WPWWPDLEFHOEKJ-FQEVSTJZSA-N 355.438 2.934 0 50 FFAA CCn1ncc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1C 1857679058 VZMSNYQNTSSURP-DSKINZAPSA-N 353.466 2.810 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)c2cc(F)ccc2n1 1857717021 VAPXLSFLVLHFCZ-FTRWYGJKSA-N 371.456 2.910 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3)c1ccco1 1857720925 QMXNFXYOHUPGLO-JZJXAQOMSA-N 366.461 2.732 0 50 FFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C(C)C)CC2 14746099 PSJZPMOTGPLXAF-UHFFFAOYSA-N 358.486 2.745 0 50 FFAA CC[C@H](Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1)C(=O)O 485394633 JKKDWBJCDGGRNF-LLVKDONJSA-N 371.846 2.528 0 50 FFAA COc1cccc(N2CC[C@@H](NC(=O)c3cc(-c4cccnc4)on3)C2)c1 264001241 SBANUVLNECNGIR-OAHLLOKOSA-N 364.405 2.754 0 50 FFAA C[C@@H]1C[C@H](NC2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 301513550 BZOXBMJJAITVHC-NVXWUHKLSA-N 369.490 2.778 0 50 FFAA COc1ccc(OC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1OC 2325707713 HCCAEMHVRRGVOY-MRXNPFEDSA-N 370.405 2.699 0 50 FFAA CC(C)C[C@@H](C(=O)NCCN(C)C(=O)c1ccc(O)nc1)c1ccccc1 2325794072 PTARPJGFTADEOT-GOSISDBHSA-N 369.465 2.805 0 50 FFAA CC(=O)N1CC[C@H](NC[C@H]2C[C@](O)(C(F)(F)F)C2)c2ccccc2C1 2325803344 BFOXVZYWJGOAMQ-RRQGHBQHSA-N 356.388 2.773 0 50 FFAA Cc1nc(CCN2CCC[C@H](NC(=O)c3nccc4[nH]ccc34)C2)cs1 2325812126 UOCSPHTXXIAETM-AWEZNQCLSA-N 369.494 2.765 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)s1 2325825023 AATKCEGRUCLWKS-OAHLLOKOSA-N 370.540 2.770 0 50 FFAA CCCc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)c(Cl)cc12 793098 BEMSTTFOVWTVQJ-UHFFFAOYSA-N 365.813 2.637 0 50 FFAA CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 810454 TWZGLPVDOUPICF-ZDUSSCGKSA-N 368.389 2.806 0 50 FFAA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(O)cc2)NC(=O)N1 1177213 AIBZJVQFIJAEEG-INIZCTEOSA-N 359.332 2.937 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(N(C)C)c3)C1)CC2 2356154623 CJHUJESGFFDWSM-OAQYLSRUSA-N 350.466 2.971 0 50 FFAA Nc1nccc(N2CCC[C@H](OC(=O)c3ccc4c(c3)CCCC4)C2)n1 225855764 NTVBRNROAZSEHF-KRWDZBQOSA-N 352.438 2.763 0 50 FFAA CO[C@](C)(CNC(=O)Nc1ccc(N(C)C(C)=O)nc1)c1ccccc1 417639185 LMUDNICIPQUDEI-LJQANCHMSA-N 356.426 2.748 0 50 FFAA COc1cccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1462252 UAFFNOCINJCIFG-MSOLQXFVSA-N 372.446 2.616 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cc3n(n2)CCCN(C)C3)no1 65535514 CYWLBRSFLPQGEM-QGZVFWFLSA-N 357.458 2.807 0 50 FFAA CCn1c([C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)nn(C)c1=O 67880343 VNQTZDRCGJKPCL-MRXNPFEDSA-N 370.497 2.919 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC(Oc2ccccc2Cl)CC1 72476537 ANVVUJZTBRXVAZ-UHFFFAOYSA-N 373.840 2.984 0 50 FFAA CN(C)S(=O)(=O)c1ccc(Cn2ccnc2-c2ccc(O)cc2)cc1 67642440 TUZGNLAELHNMFF-UHFFFAOYSA-N 357.435 2.554 0 50 FFAA C[C@H](C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1)N1CCOCC1 72475607 SLRYQZKAKFLXOV-MRXNPFEDSA-N 369.465 2.915 0 50 FFAA O=C(c1cccc2ccnn12)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72157517 XECOVFPFONYYCF-HXUWFJFHSA-N 360.461 2.650 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H]2c2cc(C)no2)c(=O)c2ccc(C)nc21 219480386 PJTIFLPBPRXXNF-INIZCTEOSA-N 366.421 2.999 0 50 FFAA CC[C@@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328634901 ULNNVUGJRKGFRG-UPJWGTAASA-N 359.392 2.880 0 50 FFAA CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cn2cccnc2n1 215549448 AUNHCWGOLVLCGI-CQSZACIVSA-N 352.394 2.658 0 50 FFAA Cc1ccc(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc1Cl 72431038 IUBFURVWHYENHH-UHFFFAOYSA-N 361.829 2.908 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(C)c2nc(N)sc2c1 77425935 SKYCHRWJSAWRDP-ZDUSSCGKSA-N 360.483 2.660 0 50 FFAA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1C[C@H]1C(=O)O 262454391 WYNQANYIVKKMPV-CHWSQXEVSA-N 352.228 2.660 0 50 FFAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)n1 15072778 CHCGFXMNFSUAJS-GOSISDBHSA-N 372.513 2.571 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)ccn1 77537360 MESQESVVWPAIIY-UHFFFAOYSA-N 362.433 2.584 0 50 FFAA COCc1nc(CN2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)no1 71762696 ZVKCZZOCCNAJNX-SFHVURJKSA-N 369.421 2.951 0 50 FFAA O=C(Nc1ccccc1Br)N1CCN(c2ncccn2)CC1 13746134 DYKNXWMTHCCPMA-UHFFFAOYSA-N 362.231 2.593 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 77504094 XVZHFFHECLGLNW-OAHLLOKOSA-N 368.474 2.690 0 50 FFAA COc1ncc(C)cc1NC(=O)NC1CCN(Cc2ccccn2)CC1 174989648 FQROCIPVJFYEHZ-UHFFFAOYSA-N 355.442 2.580 0 50 FFAA Cc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)cc1 220723454 PPAQKAFZQVMEGL-UHFFFAOYSA-N 360.417 2.683 0 50 FFAA Cc1cccc(-c2ccc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)cc2)n1 426428785 NHEMCTMFGFPKDC-OAQYLSRUSA-N 353.466 2.586 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 82127663 IYPDZWSTJDGFPU-QGZVFWFLSA-N 356.470 2.631 0 50 FFAA CC(C)c1cc(NC(=O)c2c(C(=O)O)cnn2C)n(-c2ccc(F)cc2)n1 20617034 DJYMKHKPHJVUEL-UHFFFAOYSA-N 371.372 2.819 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 426498352 AYBLINQTTHCVTN-FQEVSTJZSA-N 370.497 2.942 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)NCCc2nc(C)c3c(n2)CCC3)c1 426597436 SLAVMCCDHDVYPR-UHFFFAOYSA-N 361.449 2.945 0 50 FFAA O=C(c1ccncc1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95384481 MKNMQAPRLMYETR-HNNXBMFYSA-N 353.451 2.803 0 50 FFAA CC[C@H](NC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2)c1nc(C)no1 96151552 QJWLPTNBMRYQQK-JTQLQIEISA-N 365.777 2.635 0 50 FFAA O=C1CC2(CCN(C(=O)[C@@H]3CCCO3)CC2)CN1C/C=C/c1ccccc1 91625037 VWAALYJAWXUGLA-AMGQUURNSA-N 368.477 2.720 0 50 FFAA Cc1cccc(SC2CCN(C(=O)[C@@H]3NCCc4nc[nH]c43)CC2)c1 426661932 CCGMDFXTJGFCQN-GOSISDBHSA-N 356.495 2.688 0 50 FFAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCN(CCn2cccc2)CC1 91809161 OONNQKQRARGVIW-INIZCTEOSA-N 359.495 2.859 0 50 FFAA O=C1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)CN1C/C=C/c1ccccc1 91793019 GIVUCXOYYYURRS-ZLHKHBAESA-N 368.477 2.577 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccccc1Cl 239433421 XQTMZTLWLKIUCR-RDXDGJJNSA-N 370.836 2.722 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@H](c2ccc(F)cc2)C1 91858348 HXORTKVTNJCNBD-SFHVURJKSA-N 352.369 2.620 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCNC(C)=O)CC2)C1 92082075 WHMBFCBJVXKFEH-FQEVSTJZSA-N 371.525 2.631 0 50 FFAA COCCc1noc([C@@H]2CCCN(c3nc(C)nc4ccsc34)C2)n1 91476708 LZZCJYWQDVOCIS-GFCCVEGCSA-N 359.455 2.956 0 50 FFAA O=C(O)[C@H](c1ccc(O)cc1)N1CCN(C/C=C/c2ccccc2)CC1 95375695 XETZIESNYHJWNN-PDGUBNMISA-N 352.434 2.849 0 50 FFAA O=S(=O)(Cc1ccccc1F)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244899317 ZHSCTCWKCYZJHH-ZENOOKHLSA-N 355.456 2.819 0 50 FFAA CN(Cc1ccccc1)C(=O)N1CCC[C@@H](c2nn(C)cc2C(=O)O)C1 297053398 VRAVLRSASWNRHP-OAHLLOKOSA-N 356.426 2.550 0 50 FFAA Nc1n[nH]c2ccc(-c3ccc(C(=O)NCC[C@H]4CCOC4)cc3)cc12 534665484 WFDLTZZQLOSTDS-ZDUSSCGKSA-N 350.422 2.969 0 50 FFAA CC[C@@H](CNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCC1 534581228 QWRPXIRFYMKVEQ-INIZCTEOSA-N 357.502 2.979 0 50 FFAA NC(=O)C1CCN(CCCNC(=O)c2cccc(-c3ccccc3)c2)CC1 299791220 CTIQVRCCPAHBTO-UHFFFAOYSA-N 365.477 2.671 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2ccnn2[C@H](C)c2ccccc2)n1 299775281 CXQMYZWKTXCNAL-CQSZACIVSA-N 367.457 2.913 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3ccc4[nH]c(C)nc4c3)[C@H]2C1 299761181 VXAJZQDOYPKLSO-ZAAXVRCTSA-N 357.454 2.599 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)N2CCC3(CC2)CNC(=O)O3)cc1F 584889188 OHALQNXEXOLXJA-LBPRGKRZSA-N 365.405 2.569 0 50 FFAA CC(=O)c1cc(CN2CCOC3(CCN(Cc4ccoc4)CC3)C2)n(C)c1 825636393 KJVWHBHPUMUNFO-UHFFFAOYSA-N 371.481 2.688 0 50 FFAA Cc1cccnc1C[C@@H](C)N(C)C(=O)NCc1ccc(C(=O)N(C)C)cc1 584889433 LHMIBSYEBWDOHA-MRXNPFEDSA-N 368.481 2.864 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)CNC(=O)O3)cc1F 584889187 OHALQNXEXOLXJA-GFCCVEGCSA-N 365.405 2.569 0 50 FFAA COCCO[C@H](C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2 865215185 KQIGKLGLVSLDGO-CYBMUJFWSA-N 368.478 2.574 0 50 FFAA CO[C@H]1C[C@@H](CNc2nc3cc(F)ccc3o2)N(c2cc(C)ncn2)C1 952890501 VHQSLOXTSNMXNL-KBPBESRZSA-N 357.389 2.771 0 50 FFAA CCN(CC1CCC(C(=O)OC)CC1)c1ccc2nnc(C(F)F)n2n1 1875272179 VGTSNLBAAYGSOK-UHFFFAOYSA-N 367.400 2.868 0 50 FFAA COc1ccc(N(C(=O)Cn2nnnc2-c2ccsc2)C(C)C)cc1 1875266532 PBSDUSZEJPEWDC-UHFFFAOYSA-N 357.439 2.852 0 50 FFAA CCOc1cc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)ccc1OC 1875289966 BIKZEUJIBBEMRP-NWDGAFQWSA-N 359.426 2.769 0 50 FFAA CC(C)n1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC(c2cc(O)no2)CC1 1875296410 VYYQHVFTRFJXJV-RDTXWAMCSA-N 374.441 2.641 0 50 FFAA Cc1[nH]nc2c1C[C@H](C(=O)N1CC[C@@H](c3ncnc4ccccc34)C1)CC2 1875301564 MUUCOEWJSBXTAO-HUUCEWRRSA-N 361.449 2.782 0 50 FFAA Cn1ncc2c1CCN[C@@H]2C(=O)N(Cc1ccccc1Cl)CC1CC1 1875392764 SAIHSPCZXPHMJD-SFHVURJKSA-N 358.873 2.699 0 50 FFAA CCN(CC(=O)N1CCC[C@]12CCC[S@](=O)(=NC)C2)c1ccccc1 1875395591 GFCRQVWQTRVNHD-KBMIEXCESA-N 363.527 2.766 0 50 FFAA Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 952988378 NPQFIGSDCMCPSE-KRWDZBQOSA-N 364.442 2.899 0 50 FFAA CCOC(=O)[C@H](N)Cc1cc(Br)sc1Br 1772717299 QBSSVPOZMCTXMD-ZCFIWIBFSA-N 357.067 2.706 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)on1 1565506924 ACWGBLPPFUHPHM-OCCSQVGLSA-N 374.466 2.518 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CN(CC4CCC4)C[C@]3(C(=O)O)C2)cc1C 1565510055 BNMVQKIPBGZBQZ-RXVVDRJESA-N 356.466 2.562 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1)C1(c2ccccc2)CC1 1565528720 FMNVRLPZHMQXCJ-PMACEKPBSA-N 367.445 2.563 0 50 FFAA CCc1cc2c(CN3CCC[C@H]3[C@H](O)C(F)(F)F)cc(=O)oc2cc1O 109757960 BDUTXTKXNRRFAI-GUYCJALGSA-N 371.355 2.949 0 50 FFAA C[C@@]1(O)CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 408299860 WPFHZYWMSWAXPU-BLLLJJGKSA-N 358.269 2.738 0 50 FFAA CCN1C[C@H](c2nc(-c3cc(Br)ccc3OC)no2)CC1=O 273999234 UPRLRITZNJEVMM-SECBINFHSA-N 366.215 2.844 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccc3ncccc3c2)o1 275296989 HGJYZDHRSZEGIC-INIZCTEOSA-N 352.394 2.955 0 50 FFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCC[C@@H]1CCO 170601407 CMADEFGWJNJSLR-QAPCUYQASA-N 356.422 2.920 0 50 FFAA CCc1nn(C)cc1CNc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 170619346 DEYYUEYWTLSMOI-UHFFFAOYSA-N 364.515 2.934 0 50 FFAA COc1c(C)cc([C@H](C(=O)O)N2CCN(CC(F)(F)F)CC2)cc1C 1529142889 UUCMBGOZLWQWFV-CQSZACIVSA-N 360.376 2.618 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCc3c(C)noc3C)C1)CC2 1704331122 OPTVGYZPDDLGJG-HXUWFJFHSA-N 354.454 2.829 0 50 FFAA CC(C)N1C[C@H](CN2CCN(Cc3cc(F)cc(F)c3)CC2)CCC1=O 1775983794 SPZKNZGGZRXQOR-INIZCTEOSA-N 365.468 2.729 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2ccccn2)co1 11874847 HUWCQQKVQOWSOE-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA Cc1ccc(C)c(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 12003738 MRZJRPVZVFYOMG-AWEZNQCLSA-N 372.446 2.868 0 50 FFAA CC(C)N1CCC2(CC1)C[C@H]2C(=O)NCCc1nc2ccccc2n1C 12150520 SIDVYSZBPOYICU-INIZCTEOSA-N 354.498 2.743 0 50 FFAA Cc1c([C@@H](C)NC(=O)CSc2ccccn2)cnn1-c1ccccn1 12315923 YDGNFGKAAGXKEA-CYBMUJFWSA-N 353.451 2.940 0 50 FFAA CCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12466754 JKNONSWLGHRMBP-GOSISDBHSA-N 351.397 2.509 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 13326988 ZBVXDCDALYYXEQ-UHFFFAOYSA-N 352.434 2.724 0 50 FFAA Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)on1 14957226 IKDTWXQZNVXEKD-INIZCTEOSA-N 373.428 2.562 0 50 FFAA Cc1cc(=O)c(C(=O)NCc2ccncc2)c(Cc2ccccc2F)n1C 14978037 CRHAPWVEQUJYRE-UHFFFAOYSA-N 365.408 2.749 0 50 FFAA COc1ccc(NC(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 15072994 ZMCGKAUTLNXQGJ-MRXNPFEDSA-N 357.385 2.757 0 50 FFAA O=C(N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O)c1occc1-c1ccccc1 1857527138 KRSDQZUKNQNRTJ-WBAXXEDZSA-N 351.406 2.713 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)O1 1857697713 JOAMQNFBYAVJFR-MSOLQXFVSA-N 359.466 2.936 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cccc3nn[nH]c13)CC2 1857701900 XQYYEWDXICLJQS-UHFFFAOYSA-N 372.432 2.599 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cc(F)cc(Cl)c4)[C@@H]2CC(=O)N13 1857733693 UYLNQOCPUYRXDX-DAYGRLMNSA-N 366.820 2.677 0 50 FFAA CCC[C@]1(CO)CCN(c2cc(-c3ccc4c(c3)OCO4)ccn2)C[C@@H]1O 1875250330 PIZNWLINUMYGBX-PZJWPPBQSA-N 370.449 2.827 0 50 FFAA COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 19790827 GAMSQVKKCPMMDJ-LJQANCHMSA-N 370.493 2.874 0 50 FFAA Cc1nc(-c2ncc[nH]2)sc1C(=O)Nc1ccc(C2CCNCC2)cn1 2325787830 ZIUOANVJNBRYCR-UHFFFAOYSA-N 368.466 2.956 0 50 FFAA Cc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc(C(F)F)cc3)NC2=O)c1 2325792358 WOSCPNBRQIAULO-SJORKVTESA-N 358.388 2.701 0 50 FFAA CN(C)[C@@H](CN=c1[nH]ccn2ncc(Br)c12)c1ccccc1 2325856388 NNTGQPRVEJJHAA-AWEZNQCLSA-N 360.259 2.629 0 50 FFAA CC(C)CC(=O)N(C)CCCN(C)C(=O)c1ccc2c(c1)NC(=O)CC2 2325868585 BQMKGQRTOZXZTC-UHFFFAOYSA-N 359.470 2.538 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c3c(c2)OCCCO3)C1 2325888481 WQRMCVXUAIYRFZ-GFCCVEGCSA-N 364.829 2.864 0 50 FFAA Cc1c(NC(=O)NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 869308 WMWZPVOHQWOZTM-UHFFFAOYSA-N 368.368 2.585 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(OC(C)C)cc2)NC(=O)N1 1074527 FFLQNKYPYRSLTL-WMZOPIPTSA-N 374.437 2.824 0 50 FFAA O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1)NC1CC1 1157486 NMEANITXCOOKOT-UHFFFAOYSA-N 368.871 2.815 0 50 FFAA CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1157739 DBQCHZNGVFBLJA-UHFFFAOYSA-N 360.844 2.512 0 50 FFAA O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1ccco1 1188671 XHTVHYUDCQMFGZ-UHFFFAOYSA-N 360.435 2.945 0 50 FFAA CC(C)(C)NC[C@@H](O)CSc1nc(-c2ccc(C(N)=O)s2)cs1 1846151 BHIAIPWSVYSKJS-SECBINFHSA-N 371.553 2.812 0 50 FFAA investigational COc1c(F)cc(F)cc1-c1cnc2cncc(N3CCC(O)CC3)n12 2356154610 BUNMVXRFBZOWBU-UHFFFAOYSA-N 360.364 2.644 0 50 FFAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1 1162886 MIYFPGBZHUNSDW-UHFFFAOYSA-N 364.492 2.976 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCc2ccccc21)C1CCOCC1 225763989 RRAMGHUULKQNGR-QGZVFWFLSA-N 360.454 2.896 0 50 FFAA O=C(C[C@@H]1C(=O)Oc2ccccc2N1C(=O)C1CC1)Nc1ccccc1 9575693 FEHBXYJWMURTHA-MRXNPFEDSA-N 350.374 2.746 0 50 FFAA O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(-n2cnnn2)c1 9763977 JQFQXJQPRKCSDP-UHFFFAOYSA-N 362.418 2.962 0 50 FFAA CN(C(=O)CCNC(=O)c1ccc(F)cc1)[C@@H](c1ccccn1)C1CC1 55413353 UAGGZOLMZYCENW-LJQANCHMSA-N 355.413 2.950 0 50 FFAA COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(Cl)c1OC 104377360 FHOACDQBTJOUFK-MRXNPFEDSA-N 370.921 2.882 0 50 FFAA Cc1nnn(C23C[C@H]4C[C@@H](CC(NC5CCN(CC(C)C)CC5)(C4)C2)C3)n1 101848668 IDSBKMKAEBJREI-KHQYNDFOSA-N 372.561 2.739 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 100118577 ZSTMHXIZFXYSHY-IBGZPJMESA-N 367.424 2.588 0 50 FFAA COc1ccccc1[C@H](C)N(C)C(=O)Cn1cnc2ccccc2c1=O 67740564 SOIAWYMLVOSHNS-AWEZNQCLSA-N 351.406 2.625 0 50 FFAA CC(C)N1CCC(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC1 65396858 FYUMLFMCESRIQL-AGXSTUJCSA-N 371.529 2.563 0 50 FFAA O=S(=O)(c1cccc2cnccc12)N(CCO)[C@@H]1CCc2ccccc21 119544236 BGQUXBJXDTUZHZ-LJQANCHMSA-N 368.458 2.905 0 50 FFAA Cc1cccc(-c2noc(CNCC(=O)NCc3ccccc3F)n2)c1 65396590 RFUQTYALSICEJZ-UHFFFAOYSA-N 354.385 2.590 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)[C@H]2CCCC[C@H]21 229577993 QPCZNXDYAUDIPL-JLSDUUJJSA-N 369.465 2.779 0 50 FFAA CCc1ccc(CN(C)C(=O)c2cc(CN3CCN(CC)CC3)on2)cc1 67983411 OUIOJJNFFJVRCM-UHFFFAOYSA-N 370.497 2.647 0 50 FFAA CCOC(=O)C1=C(CN2c3ccccc3CC[C@H]2C)NC(=O)N[C@H]1CC 252445423 VWVYFNOTJZGLEA-HIFRSBDPSA-N 357.454 2.736 0 50 FFAA CC[C@@H]1CN(C(=O)c2cccnc2OC)CCC(=O)N1Cc1ccccc1 71747267 YNNNOZPQOAZJJV-QGZVFWFLSA-N 367.449 2.744 0 50 FFAA Cc1cc2nc(CCC(=O)N3CCC4(CC3)CC(=O)N(C)C4)[nH]c2cc1C 72421137 ZMDJTPXYJUKTNK-UHFFFAOYSA-N 368.481 2.583 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccn2nnnc2c1 72411403 XHAVBABYDDDXNN-UHFFFAOYSA-N 356.436 2.582 0 50 FFAA O[C@H]1CCCN(c2nccc(C3(c4ccccc4Cl)CCNCC3)n2)C1 72411560 ALINOUWNHGHZKT-HNNXBMFYSA-N 372.900 2.761 0 50 FFAA CC(C)N1CCO[C@H](c2nc(C[C@@H](C)N(C)C(=O)OC(C)(C)C)no2)C1 253432008 VJBZMGIPPWTZTQ-KGLIPLIRSA-N 368.478 2.649 0 50 FFAA CN1CCC[C@@H](CCC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 77321027 MSAXFIKFSAWNQH-SFHVURJKSA-N 361.505 2.982 0 50 FFAA Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 332426601 CDSSJNQVOUGHQP-INIZCTEOSA-N 353.344 2.710 0 50 FFAA COc1ccc2nc(C3CC3)cc(C(=O)NCC3(CO)CCOCC3)c2c1 153159676 HIUZUTDAZYMFKM-UHFFFAOYSA-N 370.449 2.640 0 50 FFAA CN1C(=O)[C@@]2(CCCN(Cc3noc(-c4ccco4)n3)C2)c2ccccc21 72174600 NDFQMGUVRFISFY-HXUWFJFHSA-N 364.405 2.840 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cn4ccccc4n3)CC2)OC1=O 77407857 ILFYXFJWKZZEAQ-OAHLLOKOSA-N 370.453 2.950 0 50 FFAA Cc1nc2ccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)cc2[nH]1 218953268 VEVAXEORTIYORM-AWEZNQCLSA-N 366.396 2.680 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccn(CC)n2)CCC(=O)N1Cc1ccccc1 71498439 LFLYRNXBUMLNDV-QGZVFWFLSA-N 354.454 2.556 0 50 FFAA COc1ccc(OC)c(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)c1 33549295 XTZLTTAZBZJNRJ-GFCCVEGCSA-N 353.378 2.613 0 50 FFAA COc1cc2c(cc1CN1CCO[C@@H](c3cccnc3)C1)OCCCO2 215568217 AAEHYKUQJQMPSU-HXUWFJFHSA-N 356.422 2.825 0 50 FFAA Cc1cc(C)n2c(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)nnc2n1 72166287 ADCZJDOECVYJQC-INIZCTEOSA-N 368.416 2.597 0 50 FFAA O=C(NCCCOC1CCCCC1)N1CCN(C(=O)c2ccccc2)CC1 45148333 BEAQZNGQSGQMDL-UHFFFAOYSA-N 373.497 2.893 0 50 FFAA Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(C)C)C2 14732179 PGPZERWHALUYIO-UHFFFAOYSA-N 373.526 2.549 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N(C)CCCO)csc3C2)nc1 426477813 ZYVRPZAOJRWVGP-UHFFFAOYSA-N 373.522 2.718 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)NCc1ccc2nonc2c1 426392663 BXMITJOEXGTWDX-MRXNPFEDSA-N 368.441 2.882 0 50 FFAA Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 95515163 KEKIYTQHYCFYPN-UHFFFAOYSA-N 355.442 2.641 0 50 FFAA COc1cccc(OC2CN(C(=O)[C@H]3CCCN(C4CCCC4)C3)C2)c1 95354990 QARGEEGAMWDHBP-INIZCTEOSA-N 358.482 2.939 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1 91849308 MOBUODJBLVCHSJ-UHFFFAOYSA-N 371.525 2.710 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NCc1nc(Cc2ccccc2)no1)N(C)C 95364739 KDFCOVWHRXUUOK-FQEVSTJZSA-N 364.449 2.888 0 50 FFAA N[C@H]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)C1 91594370 QRAQAMADWAMYIH-MOPGFXCFSA-N 367.497 2.550 0 50 FFAA Cc1nc(-c2cn(CCCc3nnc4ccccn34)nn2)c2ccccn12 91503836 ISWVDEAQZOUROR-UHFFFAOYSA-N 358.409 2.577 0 50 FFAA Cc1nc2cc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccncc4)C3)ccc2s1 91519422 GHBWMNQSKIVGBK-LSDHHAIUSA-N 367.430 2.940 0 50 FFAA Cc1cc2nc(C(=O)NC[C@H](c3ccccc3C)N(C)C)cc(C)n2n1 97463669 QJLGGEJBDWLFKU-GOSISDBHSA-N 351.454 2.687 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)s1 91847276 OQSIAWATWTVBSM-UHFFFAOYSA-N 374.510 2.729 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1csc(-c2ncccn2)n1 95517400 VGAZGBWIEFEFME-CYBMUJFWSA-N 370.482 2.840 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 95381120 KCGOKYFKVNTCND-KRWDZBQOSA-N 360.502 2.792 0 50 FFAA O=C(c1nccnc1C(=O)N1CC[C@@H]1c1cccs1)N1CCCCC1 97088310 XNOWDJWKBMPXAB-CYBMUJFWSA-N 356.451 2.751 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)n2)s1 245227974 UNSHFKKSPVYQPC-VCDKRKBESA-N 364.448 2.997 0 50 FFAA CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(-n2ccnc2)nc1 182813328 WXOOSTVNZAMZNO-UHFFFAOYSA-N 350.422 2.681 0 50 FFAA Cc1cc(C(=O)N2CC(C)(C)N(C(=O)c3ccnc(C)c3)C[C@H]2C)ccn1 297648658 DFTFZWJWTJPORV-MRXNPFEDSA-N 366.465 2.859 0 50 FFAA CC[C@@H](NC(=O)N(CCOC)Cc1c(C)nn(C)c1C)c1cccnc1 534637138 KOISPFJKFKJXSO-GOSISDBHSA-N 359.474 2.741 0 50 FFAA CSCC[C@H](C(=O)NCc1nc(-c2cccnc2)no1)n1cccc1 263588105 PFZSYRKUOOEBKC-CQSZACIVSA-N 357.439 2.544 0 50 FFAA CSCc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)nc1 534663275 URAMJNXYDGDLLI-KRWDZBQOSA-N 355.463 2.702 0 50 FFAA CN1C(=O)CSC12CCN(C(=O)c1cc3ccccc3cc1O)CC2 378616672 CTQVYYOIYQSKMT-UHFFFAOYSA-N 356.447 2.683 0 50 FFAA C[C@@H](CN1CCCCC1)c1nc(C2(c3ccccc3)CC2)nn1CCO 828776615 ALOVECXGHUNRNB-KRWDZBQOSA-N 354.498 2.940 0 50 FFAA CC(=O)N1CCC2(CC1)CN(Cc1ccc(-c3cccnc3)cc1)CCO2 820569350 HKUPCQGCGBYDAH-UHFFFAOYSA-N 365.477 2.962 0 50 FFAA CC(C)(O)Cn1nc(-c2c[nH]c3ccccc23)nc1[C@@]1(C)CCCNC1 821508370 NCHHAWICUJSFBH-FQEVSTJZSA-N 353.470 2.838 0 50 FFAA C[C@H](NC(=O)N1CCC2(CCCO2)CC1)c1ccc(S(C)(=O)=O)cc1 584890605 OPAQIXXTUYULGG-AWEZNQCLSA-N 366.483 2.506 0 50 FFAA O=C1NC[C@@]2(CCCN(C(=O)NCCCc3ccc(Cl)cc3)CC2)O1 584885196 SRSHARKNEMUAAS-SFHVURJKSA-N 365.861 2.947 0 50 FFAA CCOc1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1OCc1cccnc1 269181943 LNRWJMMDKNYWSN-INIZCTEOSA-N 370.405 2.606 0 50 FFAA Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 1875264731 ZGYVBYXKSKZJBI-HNNXBMFYSA-N 355.442 2.513 0 50 FFAA C[C@@H]1CN(C(=O)[C@H](Cc2ccsc2)NC=O)CC[C@H](c2ccccc2)O1 1875321723 SOMJXFFQMAWQNN-AYOQOUSVSA-N 372.490 2.784 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)CC1 1875371253 VDXDNYVWESIFGG-MAUKXSAKSA-N 356.466 2.824 0 50 FFAA COC1(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)c3ccc4ccoc4c3)C2)CC1 1875406248 ACCSXPGDZPUSAN-XJKSGUPXSA-N 356.422 2.721 0 50 FFAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)c2ccccc21 1565507557 AJYZDGKVMFJUHQ-CVEARBPZSA-N 361.449 2.709 0 50 FFAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1C 221929637 WDOQCISRVZCTPF-IFIJOSMWSA-N 350.846 2.860 0 50 FFAA CC(C)N1CCO[C@H](COC(=O)CCC(=O)c2ccc(F)cc2F)C1 170609289 SBLMDSHLBVWQCF-AWEZNQCLSA-N 355.381 2.580 0 50 FFAA Cc1cccnc1OC1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 279225188 INJZBKHNYWCZBR-UHFFFAOYSA-N 364.449 2.750 0 50 FFAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)cn1 192990020 CSXJJNVSQYXITH-UHFFFAOYSA-N 371.441 2.731 0 50 FFAA CC(C)C(NC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)C(C)C 1529168207 YBMUDULLKPILNO-SJORKVTESA-N 352.862 2.693 0 50 FFAA COc1cc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)O)cc(OC)c1OC 1170059 GXSURNOALWJSDB-OQLLNIDSSA-N 371.389 2.876 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCc1nccn1C)C2 1772807202 QZDSRYSHNFSTJX-LBPRGKRZSA-N 371.466 2.570 0 50 FFAA CC(=O)c1cccc(NC(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 11661311 XGPGJXMITWJVSC-IBGZPJMESA-N 365.433 2.854 0 50 FFAA O=C(c1cn(C/C=C/c2ccccc2)nn1)N(CCO)Cc1ccccc1 12571085 GBFGVNATCXTORN-KPKJPENVSA-N 362.433 2.626 0 50 FFAA O=C(NC1Cc2ccccc2C1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12709633 HIQSGMGGWVTJBQ-GOSISDBHSA-N 366.436 2.848 0 50 FFAA Cc1cc(CNC(=O)c2cc(COc3ccc(F)c(F)c3)on2)nn1C 14951116 FSODYCLLSSUKSW-UHFFFAOYSA-N 362.336 2.504 0 50 FFAA Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 19800234 YEQISPWMQCOMEC-MRXNPFEDSA-N 356.470 2.511 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 223004490 JKZXFJQSXOSUAC-WHSLLNHNSA-N 353.466 2.850 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1 1857711508 DGFZTJNUQXJAFC-SVFBPWRDSA-N 366.461 2.568 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2nnc3n2CCCC3)C[C@@H](c2ccccc2)O1 1875251624 JWXRTZDSBYENLZ-SJORKVTESA-N 354.454 2.853 0 50 FFAA CCOC(=O)C1CCN(C[C@@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 10434677 IAYGHVQQSYPFRF-WRUMOOJNSA-N 365.514 2.608 0 50 FFAA CN(C)c1cc(CNC(=O)Nc2cccc(OCC(F)F)n2)ccn1 133960208 WGVFSTSPIKSVFU-UHFFFAOYSA-N 351.357 2.508 0 50 FFAA COc1ccc(Br)cc1[C@@H](N)C(=O)Nc1cnccc1C 911626334 YBRJTZIFZNLYKE-CQSZACIVSA-N 350.216 2.800 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1 2325754295 YYQJMBQROASBHY-YDJZKOCTSA-N 358.570 2.986 0 50 FFAA Cc1cn(C(C)(C)C(=O)N2C[C@H]3C(F)(F)C(F)(F)[C@]3(Cl)C2)cn1 2325762149 BSBPBATUPZXOJJ-SKDRFNHKSA-N 353.747 2.647 0 50 FFAA Cc1cnn(-c2c(C(=O)OCc3ccc4c(c3)CN(C)C4)c(C)nn2C)c1 2325774842 YCHUBAIEUCJLDW-UHFFFAOYSA-N 365.437 2.525 0 50 FFAA Cc1ncc(CCNC(=O)c2sc([C@H]3CCCN(C)C3)nc2C)s1 2325779858 LKTSZRNCAAIIPC-ZDUSSCGKSA-N 364.540 2.998 0 50 FFAA Cn1c(CCCNC(=O)C(F)(F)C[C@@H]2CCCO2)nc2ccccc21 2325792588 VOWPEKPEUFXOGD-ZDUSSCGKSA-N 351.397 2.827 0 50 FFAA CCCN(CCNC(=O)CC(C)(C)C)C(=O)[C@@H]1CC[C@@H]2CCCCN21 2325793663 CBVRJUKTWSQHHD-IRXDYDNUSA-N 351.535 2.794 0 50 FFAA CC1(C)[C@H](CC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)C[C@H]1N 2325799798 YIRYSZPJBOBQHK-SWLSCSKDSA-N 352.425 2.538 0 50 FFAA Cc1cccc(CN2CC[C@H](NC(=O)c3cncc4c(O)nccc34)C2)c1 2325804768 OJNWDVHDHLDOAZ-INIZCTEOSA-N 362.433 2.648 0 50 FFAA CC(=O)NC[C@H]1CCC12CCN(C(=O)c1coc3ccc(O)cc13)CC2 2325821150 JHMGIZIHJHMWPB-CQSZACIVSA-N 356.422 2.907 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cc1 2325889962 IJZIOIAQEJSCEW-UHFFFAOYSA-N 352.438 2.887 0 50 FFAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 1078084 BEGJURCMFJRGGY-NRFANRHFSA-N 367.401 2.675 0 50 FFAA CN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 1298607 NMNQWRSLNMIYLB-UHFFFAOYSA-N 368.842 2.608 0 50 FFAA O=C(O)C[C@H]1Oc2ccccc2N(CCOc2ccc(Cl)cc2)C1=O 55370427 OOGFKXYWAODHRF-MRXNPFEDSA-N 361.781 2.988 0 50 FFAA O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1)c1ccco1 8022020 HGNCXNXAJNNXTO-AWEZNQCLSA-N 362.432 2.681 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 101278351 VLRDYICIAKSQTB-PYTWLRIVSA-N 362.857 2.736 0 50 FFAA Cc1ncc2c(c1-c1noc([C@H]3CCOC3)n1)CCN(C(=O)C1(C)CC1)C2 23428711 QZADEWCTUMWYCW-ZDUSSCGKSA-N 368.437 2.629 0 50 FFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 55036759 VKBZXZSWLQCRMV-LJQANCHMSA-N 371.525 2.998 0 50 FFAA Cc1ncc2c(c1-c1noc([C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)n1)CCNC2 67872551 QFNGELVSSHJOIK-RVHYNSKXSA-N 368.481 2.914 0 50 FFAA CCCN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 20595119 YQNIBRXDFYTONQ-UHFFFAOYSA-N 367.515 2.508 0 50 FFAA Cc1cccc([C@@H](C(=O)NCCSc2nnc(C)s2)N(C)C)c1 65404583 HTOJAPRINCKJQS-AWEZNQCLSA-N 350.513 2.666 0 50 FFAA Cc1ccc2nc(CNC[C@@H](c3ccccn3)N3CCOCC3)[nH]c2c1C 67982291 CORVPWVBJQIMER-IBGZPJMESA-N 365.481 2.738 0 50 FFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1 282049536 ADUVKEYZGXKFPF-QGZVFWFLSA-N 364.449 2.718 0 50 FFAA O=C([C@H]1CCc2ccccc21)N1CCOC[C@H]1c1ncnn1-c1ccccc1 328893144 UHRSRBCRSMJEAY-PMACEKPBSA-N 374.444 2.897 0 50 FFAA COCCN1CC[C@@H](CNc2cc(-c3ccccc3)nc3ccnn23)C1 72420980 WIFZETRVKHLDDN-INIZCTEOSA-N 351.454 2.777 0 50 FFAA O=C(c1ccc2c(c1)ncn2CCO)N1CC[C@@H](c2ccccc2F)C1 77420499 HAJUBUJOWCKSKA-OAHLLOKOSA-N 353.397 2.797 0 50 FFAA CC(C)OCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72408709 NFIIHOKIFSZGQJ-DOTOQJQBSA-N 364.511 2.555 0 50 FFAA CCCOc1ccc(NC(=O)N[C@H]2CCCn3nc(COC)nc32)cc1 125180815 QZPJXBRFXSGODW-HNNXBMFYSA-N 359.430 2.870 0 50 FFAA COCc1cccc(C(=O)N2C[C@@H](NC(C)=O)CC[C@H]2C(F)(F)F)c1 330549050 BJSXKPAULBRKNO-GJZGRUSLSA-N 358.360 2.505 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cn3ccsc3n2)CCC(=O)N1CC1CC1 71763581 AHODMVOKBLMMTQ-OAHLLOKOSA-N 360.483 2.505 0 50 FFAA CCC1=C(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)CCCO1 366074409 CNRUXSSKNAWLPA-MRXNPFEDSA-N 359.470 2.913 0 50 FFAA Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)[C@@H]3OCCc4sccc43)C2)c1 332997788 QDGNHCXBBFPJIY-VBQJREDUSA-N 360.483 2.912 0 50 FFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)CC1 72149788 PUEGVGXTHPOENT-SFHVURJKSA-N 352.482 2.750 0 50 FFAA O=C(Cc1c[nH]c2ccc(F)cc12)OC[C@@H]1CNC(c2ccccc2)=NO1 132605126 ZZYJPRAPZGPDLM-INIZCTEOSA-N 367.380 2.743 0 50 FFAA N[C@@H]1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 237924720 ABKCUFCFQIHAFE-GFCCVEGCSA-N 362.227 2.810 0 50 FFAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(Cc2nc3ccccc3n2C)C1 492907317 NNHWNHKDQXNYOJ-SWLSCSKDSA-N 354.376 2.605 0 50 FFAA Cc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)[C@H](CCO)C1 39543610 DTYQVTCVSUIALQ-JOCHJYFZSA-N 359.558 2.736 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N[C@@H]1CCc2c[nH]nc2C1 378528779 KXLNDZVAHZXDDR-QGZVFWFLSA-N 353.470 2.757 0 50 FFAA CN(C)CCCN1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77339477 CPFPWEMKOLZWKD-QFIPXVFZSA-N 357.542 2.885 0 50 FFAA CCCn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 82120005 LEFOGQUYBMTBEE-UHFFFAOYSA-N 361.417 2.930 0 50 FFAA c1ncc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)s1 426535402 FSRPISFJGRJDIK-CYBMUJFWSA-N 365.528 2.673 0 50 FFAA Cc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(C)c1 82139262 URXPYTXLOJNKMK-UHFFFAOYSA-N 355.486 2.677 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccsc3c2=O)no1 426602558 UNRWRMXTXRABDI-AWEZNQCLSA-N 372.450 2.933 0 50 FFAA C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(F)cc2F)C1=O 177539214 UCNVBSNAEUTTMU-LJQANCHMSA-N 374.343 2.703 0 50 FFAA CSc1nc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)cs1 220020852 WBLHXSYFWOACDH-UHFFFAOYSA-N 359.520 2.790 0 50 FFAA O=C1CC[C@]2(CCCN(C/C=C/c3ccc(F)cc3)C2)CN1CCCO 82145760 UEUKRYWZUXYWTM-ZZSMXWANSA-N 360.473 2.926 0 50 FFAA CN(C[C@H]1CCCO1)C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 426513632 KWQYCKVUCXZZHE-GFCCVEGCSA-N 370.375 2.913 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1ccc3nsnc3c1)C2 95383541 FRVVPYRQXXVPFJ-CQSZACIVSA-N 369.446 2.910 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)C[C@H](c2ccccc2)C1=O 95388570 AYQROIGCEIKWJF-QGZVFWFLSA-N 351.450 2.883 0 50 FFAA CCOc1ncccc1C(=O)N1CCn2nc(Cc3ccccc3)cc2C1 97679878 AWNIWKPHIDQBBS-UHFFFAOYSA-N 362.433 2.924 0 50 FFAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1 95523780 GWAQDSMDEAVTHQ-DYESRHJHSA-N 372.513 2.661 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 426563448 NLMYIJYHZXBKRU-AWEZNQCLSA-N 361.829 2.570 0 50 FFAA Cc1ccc(SCCN(C)C(=O)Cn2nccc2[C@@H]2CCCNC2)cc1 426589700 BSIYSKJNCYAEKJ-QGZVFWFLSA-N 372.538 2.909 0 50 FFAA Cc1ccc2occ(CN3CCC[C@H](c4cc(=O)[nH]cn4)C3)c(=O)c2c1 23153485 IFKBHNZLIOHPDJ-AWEZNQCLSA-N 351.406 2.564 0 50 FFAA COc1cccc(C(=O)NCC(=O)N[C@H]2CCCOc3c(F)cccc32)c1 179920088 GEWXLWOCNDHDLW-KRWDZBQOSA-N 372.396 2.594 0 50 FFAA FC(F)(F)c1ccc(CN2CCCO[C@H](CN3CCOCC3)C2)cc1 97759229 RBFAXSHOCFDIJG-QGZVFWFLSA-N 358.404 2.629 0 50 FFAA COCCNC(=O)N1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1 95528909 CIVBDBMTGMWFPS-MRXNPFEDSA-N 369.465 2.638 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cccnc2N(C)C)C1 97553206 MTNBJBILUPIAMY-KRWDZBQOSA-N 352.482 2.675 0 50 FFAA Cc1nc(-c2cc3c(s2)CCN(C[C@@H](O)Cn2cccn2)C3)cs1 180882249 HCAPWTPLNAKECQ-CQSZACIVSA-N 360.508 2.796 0 50 FFAA CCCn1cc(C(=O)NCC2(N3CCOCC3)CCCCCC2)c(C)n1 97674316 QHRCARSUYPXRJB-UHFFFAOYSA-N 362.518 2.757 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1nc(-c3ccccc3)no1)CC2 91780208 BMXTXDUINILJNX-UHFFFAOYSA-N 370.453 2.592 0 50 FFAA N[C@H]1C[C@H](c2cc(N3CCN(Cc4cccs4)CC3)nc(C3CC3)n2)C1 240936908 SFSONIHLYBVNMP-WKILWMFISA-N 369.538 2.942 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)c1ccc(-c2cccc(F)c2)cc1 244652093 GZTQBLLAAIRSNH-MRXNPFEDSA-N 356.441 2.927 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cnc(Cc2ccccc2F)s1 185037130 OQAIEVWYBSXMFG-OAHLLOKOSA-N 373.453 2.756 0 50 FFAA Cc1csc([C@H](C)CNC(=O)C2(N3CCOCC3)CCCCC2)n1 299802922 YGESHRZZISRCKT-CQSZACIVSA-N 351.516 2.706 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCc3noc([C@H]4CCCO4)n3)nc2c1 299780829 CEFRDJGKTNPCEI-CYBMUJFWSA-N 373.438 2.514 0 50 FFAA CN(CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)Cc1ccccn1 299785823 MGDIZTKQMDMSFV-FQEVSTJZSA-N 366.509 2.542 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccnc1Oc1ccccc1F 299774200 CBIRHNWGCCZHQI-HOCLYGCPSA-N 361.373 2.938 0 50 FFAA Cc1csc([C@H](C)CNC(=O)N2CCC(Oc3ncccn3)CC2)n1 584902421 QJOKWMPIENFOIY-GFCCVEGCSA-N 361.471 2.598 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)NCCc2cccc(OCCC(C)C)c2)C1 584885067 NRAPYTIHIIQCRM-GOSISDBHSA-N 361.486 2.574 0 50 FFAA COc1cc(F)cc(F)c1[C@H]1CN(c2nc3cnccc3n2C)CCO1 1875294391 GVDIPLXUBDPNLE-MRXNPFEDSA-N 360.364 2.833 0 50 FFAA COc1ccc(CN(C)C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)cc1OC 1875398515 UCVUAURTJAJWND-QWHCGFSZSA-N 373.453 2.732 0 50 FFAA C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]nc2-c2cccs2)C1 1875344547 HWZCBGCJLKZBKI-OAVHHTNSSA-N 358.467 2.515 0 50 FFAA CCNc1nc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cs1 270944977 WFKBELWQIYFHOE-CYBMUJFWSA-N 360.487 2.870 0 50 FFAA Cc1ncc(CO)c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c1O 952985659 CYVZDULTYAQKRG-UHFFFAOYSA-N 356.401 2.545 0 50 FFAA CC1(C)CCc2cc(CC(=O)NC3CCN(C(=O)C4CC4)CC3)ccc2O1 888105547 OLPJLVCBTSIYOI-UHFFFAOYSA-N 370.493 2.850 0 50 FFAA CC(=O)N1C[C@@H](NCc2nc3ccccc3n2C)CC[C@H]1C(F)(F)F 886036587 YSBWVGWPXCRCGN-WFASDCNBSA-N 354.376 2.605 0 50 FFAA COCc1c(C(=O)N2CCC[C@H]2c2ccc(N)nn2)oc2ccccc12 888078748 SWPALGKPGXJTRK-HNNXBMFYSA-N 352.394 2.929 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 1346080493 JGNRABFVXOPUQL-KKSFZXQISA-N 366.465 2.978 0 50 FFAA O=C(O)[C@]12CN(Cc3ccc(F)c(F)c3F)C[C@H]1CN(C1CCCC1)C2 1565528966 VCLKTXUOXRZTBT-DJJJIMSYSA-N 368.399 2.865 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cccc4c3OCC4(C)C)CC2)oc1C 278913496 GSNNTTSDCHAPRK-UHFFFAOYSA-N 369.465 2.919 0 50 FFAA COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)c2nccs2)cc1Cl 186676938 FNOAZMYYODHUKG-VIFPVBQESA-N 374.871 2.665 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)c3c(C)[nH]c(C(=O)O)c3C)[nH]c2c1 1506407018 IFXKBEJEKUUTJP-UHFFFAOYSA-N 370.409 2.529 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H](C)n2cc(C)cn2)CC1 1704342085 FTQGPLIPDYDKAG-MRXNPFEDSA-N 369.465 2.852 0 50 FFAA CC1=CC2(CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)OCC1 1704343959 LUYQQGIPCZFNLQ-INIZCTEOSA-N 358.413 2.979 0 50 FFAA Cc1cccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c1C 1704344130 KCTWKGFTVQPIDZ-SIKLNZKXSA-N 367.445 2.824 0 50 FFAA O=C1C[C@@H]([C@H]2CCCC=C2N2CCOCC2)C(=O)N1Cc1ccccc1 5015753 UXOMCKBUZWTLOF-MSOLQXFVSA-N 354.450 2.578 0 50 FFAA Cn1ccnc1SCCNC(=O)CCc1nnc(C2CCCCC2)o1 12302108 VTQAGBYXLMLGNK-UHFFFAOYSA-N 363.487 2.692 0 50 FFAA Cc1cccc(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)c1 12303926 MUIPGZSYQTWAIX-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc2c1=O 13571758 UYTFMDHWXFVHME-HNNXBMFYSA-N 357.797 2.933 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CN1CCC(C2CCNCC2)CC1 1857678259 KLKYYWMHXJLCHN-UHFFFAOYSA-N 355.526 2.986 0 50 FFAA O=C(Nc1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)NCC2=CCCCC2)C1 1875239819 KBLQYAYVZLQFBJ-DYESRHJHSA-N 369.465 2.784 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 126120262 GZJAXVPBUVJCCQ-LJQANCHMSA-N 357.498 2.984 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C(=O)O)c1ccccc1 236830554 UYKLCDQLPOXTSE-QUCCMNQESA-N 364.401 2.893 0 50 FFAA COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@@H]2C(=O)O)cc1 237286134 SBAGCOZGVRZKAK-ZWKOTPCHSA-N 360.454 2.688 0 50 FFAA Cc1ccc(OCCC(=O)N2CC[C@@H](N)C[C@@H]2C)c(Br)c1 237589029 FBHHQFGYKDFUBM-QWHCGFSZSA-N 355.276 2.865 0 50 FFAA CNC(=O)OC[C@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1N 366333893 ZAJOWRWRJVUBBL-OAHLLOKOSA-N 368.437 2.682 0 50 FFAA COc1ccc2nc(C3CC3)cc(C(=O)NS(=O)(=O)CC3CCC3)c2c1 164961365 DKRBFQCHTYCSJJ-UHFFFAOYSA-N 374.462 2.981 0 50 FFAA CNC1CCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 911787449 RATTTYWZCOHNCV-OAHLLOKOSA-N 356.253 2.697 0 50 FFAA CC(C)(Nc1ccccc1)C(=O)N1CCO[C@@H](c2noc(C3CC3)n2)C1 913791081 OMEKKZLTZWDUOW-OAHLLOKOSA-N 356.426 2.738 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)Nc2nc(C)nn2[C@@H]1c1cccnc1 2221427 SROCTOJQMHESDB-GOSISDBHSA-N 361.405 2.971 0 50 FFAA c1ccc(-c2ncc(CSc3nncn3[C@H]3CCCNC3)cn2)cc1 2325787796 XKVGRGWABNBKCI-INIZCTEOSA-N 352.467 2.952 0 50 FFAA O=C(Nc1cccc2c1CNCC2)c1ccc2ncc(Br)n2c1 2325856348 MARAEEQULVKACC-UHFFFAOYSA-N 371.238 2.995 0 50 FFAA C[C@@H](CCNC(=O)c1ccccn1)N(C)C(=O)c1ccc2cccnc2c1 2325871732 WUYXEPNPMBBUKZ-HNNXBMFYSA-N 362.433 2.910 0 50 FFAA CC(C)(CN1C(=O)N2CCC[C@@H]3C[C@@]32C1=O)N1CCc2ccccc2C1 924470947 FCRYDAUBWFUCRK-UTKZUKDTSA-N 353.466 2.640 0 50 FFAA COc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O 1151637 YACQFQVFQRJABB-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2556542 KHCZTGSAKNZBOV-AWEZNQCLSA-N 351.399 2.576 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 2739286 JOYNFTZYFAUFHS-JKSUJKDBSA-N 360.454 2.625 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(N(C)C)c3)C1)CC2 2356154622 CJHUJESGFFDWSM-NRFANRHFSA-N 350.466 2.971 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 6336547 WHWJXAHOQJMBPB-UHFFFAOYSA-N 351.362 2.551 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(-n2cnnc2)cc1Cl 6703389 GRNFTLCXOQWMHG-UHFFFAOYSA-N 354.753 2.843 0 50 FFAA COc1cc(S(=O)(=O)Nc2cccnc2)c(OC)cc1Br 6706909 PQFJADGTMJOMLH-UHFFFAOYSA-N 373.228 2.662 0 50 FFAA COc1ccc(CC(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 1206555 BVTPMFHJUJAWRO-UHFFFAOYSA-N 370.449 2.604 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1ncc(C)c(OC)c1C)C2 67677457 RUSZEHXPSZRMJO-AWEZNQCLSA-N 372.469 2.611 0 50 FFAA COc1cccc(SCC(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)c1 117558372 BLFDFPONIHGVSX-GOSISDBHSA-N 358.463 2.733 0 50 FFAA CCC(=O)Nc1ccc(OCC(=O)NCc2snnc2C(C)C)cc1 65409369 YRXZKKYCMNWYKI-UHFFFAOYSA-N 362.455 2.705 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N1CCCN(C2CCCCC2)CC1 77298745 SIYDVYGZNGYHHF-UHFFFAOYSA-N 369.509 2.900 0 50 FFAA CN(CCC1(O)CCCC1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67946663 NRAQQPXWBSKYRX-UHFFFAOYSA-N 361.417 2.895 0 50 FFAA C[C@@]1(O)CCN(CCn2c(=O)oc3ccccc32)C[C@@H]1Cc1ccccc1 67541364 OZFNCNNFJYCBFW-PGRDOPGGSA-N 366.461 2.910 0 50 FFAA CNC(=O)c1cccnc1N1CCC(n2cc(-c3ccsc3)nn2)CC1 63881684 AYJRODPQFYTIOL-UHFFFAOYSA-N 368.466 2.603 0 50 FFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1c(-c2ccccn2)noc1=O 229753755 LYSCTYKOPBKDJS-YCPHGPKFSA-N 359.426 2.902 0 50 FFAA CCNC(=O)N1CCCn2nc(CN(C)Cc3ccc(C)s3)cc2C1 72171346 OYTRUYLQXGBOTR-UHFFFAOYSA-N 361.515 2.820 0 50 FFAA CCCC[C@@H]1CN(C(=O)/C=C2\SC(=O)NC2=O)Cc2ccccc2O1 11787824 PNZDMJJSYTWOKO-MLJKTZRHSA-N 360.435 2.833 0 50 FFAA OCC[C@H]1CN(Cc2cc(F)ccc2-n2cccn2)CCN1C1CCCC1 20599551 ZQCHTRZYSDXCQJ-FQEVSTJZSA-N 372.488 2.823 0 50 FFAA COCCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC23CCCC3)cc1 429625932 WWHZERBNLBQUKI-MRXNPFEDSA-N 366.483 2.951 0 50 FFAA CCOc1ccccc1CN1CCC[C@H](N(C)Cc2nccc(N)n2)CC1 328644536 RTVNLHBJUVNHBT-SFHVURJKSA-N 369.513 2.944 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC[C@@H](c3nc(C(C)C)no3)C2)c1C 65394492 DVNBUJYIXRCALO-OAHLLOKOSA-N 374.489 2.844 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3cc(F)ccc3-n3cccn3)CC2)c1 476363572 ITOOMEUXMAOJCK-UHFFFAOYSA-N 365.412 2.677 0 50 FFAA COc1cc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cc2c1OCO2 216257847 QCJQQKGJMSIXIX-HNNXBMFYSA-N 354.406 2.914 0 50 FFAA CCC(=O)[C@@H]1CCCCN1C(=O)Cc1c(C)nn(CC(F)(F)F)c1C 331053234 NCVCYWSSUPBSQS-AWEZNQCLSA-N 359.392 2.965 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 173499504 NXSXCFUOFSIPIY-LLVKDONJSA-N 364.799 2.718 0 50 FFAA C[C@@H]1C[C@@H](NS(=O)(=O)c2sccc2Br)c2nccn21 333023984 AFAKMKKRMXXOIO-VXNVDRBHSA-N 362.274 2.691 0 50 FFAA COCc1ncc(-c2c(C#N)c(N)nc3c2CCc2cc(O)ccc2-3)cn1 71662690 JPJYGFLMJMDTPQ-UHFFFAOYSA-N 359.389 2.610 0 50 FFAA O[C@H]1CN(CC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCOCC1 72480892 VSBYKGRORVFVLI-GOTSBHOMSA-N 366.505 2.586 0 50 FFAA Cn1cncc1CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 237941613 ILSFVGVMAKRFFK-INIZCTEOSA-N 366.387 2.892 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)c2nnc(CN(C)C)o2)CC1 71721467 BFFCGPXWECXPMQ-UHFFFAOYSA-N 360.483 2.837 0 50 FFAA O=C(O)CN(Cc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1 238152906 MKSVTTPSKGVAOM-UHFFFAOYSA-N 352.390 2.540 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cnc4c(c3)CCCC4)cc2C1 426381418 IDQVNKDOVFZYIN-UHFFFAOYSA-N 367.497 2.703 0 50 FFAA CCOc1ccccc1CN(C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)C1CC1 199322399 SOVRSXIDNCQALZ-HIFRSBDPSA-N 361.511 2.591 0 50 FFAA Cc1ccc(N2CCN(C(=O)Cc3c(F)ccc(F)c3F)CC2=O)cc1 82120353 UDWWQZOMEQCJHY-UHFFFAOYSA-N 362.351 2.830 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)Nc3cc(F)ccc3F)C2)n1 426513772 WBIWMFCIRHRZPI-NSHDSACASA-N 364.352 2.657 0 50 FFAA CN(C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)c1cccnc1 178594215 HYKTWRWSEQQLIK-CQSZACIVSA-N 373.840 2.625 0 50 FFAA O=C(c1cnn2ccccc12)N1CCC[C@H]1c1nc(-c2ccccn2)no1 82096616 LKSTUJQQUNIAIY-INIZCTEOSA-N 360.377 2.757 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 97797304 HTRCDBXBDRCUKK-IBGZPJMESA-N 354.450 2.701 0 50 FFAA Cc1nc(CCNC(=O)N2CCCN(Cc3ccncc3)CC2)sc1C 426734126 QFXLLCILPFOLKF-UHFFFAOYSA-N 373.526 2.615 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CCOC[C@H](O)C1 96136562 QLOCBKWXTRVOGY-LJQANCHMSA-N 370.449 2.923 0 50 FFAA O=C(NCCN1CCC(O)CC1)Nc1cccnc1Oc1ccccc1F 95526227 MFTNJTVQBSKDAD-UHFFFAOYSA-N 374.416 2.591 0 50 FFAA CN(Cc1ccc2nonc2c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 426412606 AFJKHAYTZXOUDF-QGZVFWFLSA-N 369.425 2.794 0 50 FFAA O=C(Cc1ccccn1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91474212 UDVAHCRLAHTAPG-OAQYLSRUSA-N 355.482 2.798 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cccc(N2CCOCC2)c1 95392226 WBZLVSMVXMPZQQ-KRWDZBQOSA-N 366.461 2.894 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)N1CCCC[C@H]1c1cn[nH]c1 182301832 JZBSRRDLCWAXIT-IBGZPJMESA-N 368.485 2.706 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCc3ccc4c(c3)CCCC4)o2)CC1 97570928 MNJINRQMWLLBPS-UHFFFAOYSA-N 367.493 2.836 0 50 FFAA Cn1ccnc1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 91951598 WVQOKGIYZZXXHV-UHFFFAOYSA-N 357.838 2.781 0 50 FFAA O=C(Cc1ccncc1)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96163194 VNRKLSRWDFVCGB-UHFFFAOYSA-N 354.360 2.877 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 237653839 ZZUUEBRSORXVMM-OAHLLOKOSA-N 351.200 2.867 0 50 FFAA O=C1CC2(CCN(c3cccnn3)CC2)CN1Cc1ccc(F)c(F)c1 92028588 FNTSIAIDHRIGPX-UHFFFAOYSA-N 358.392 2.774 0 50 FFAA O=C(c1cccc([C@H]2CCCNC2)c1)N(CCCO)Cc1ccncc1 95379353 ZYROBBCERXXFHI-FQEVSTJZSA-N 353.466 2.573 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1nc3ccc(F)cc3[nH]1)C2 95515452 WSGVUKIXEGYVEQ-ZDUSSCGKSA-N 369.396 2.920 0 50 FFAA CCCOc1ccccc1C(=O)N1CC[C@H](N(C)C)[C@H](CCC(=O)O)C1 91746432 ZARZQJHZASYAMZ-WBVHZDCISA-N 362.470 2.733 0 50 FFAA O=C1NCCN(C(=O)c2ccccc2-c2ncc[nH]2)[C@@H]1c1cccc(F)c1 97546531 DVEWTFYJQBQZFT-QGZVFWFLSA-N 364.380 2.529 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCC(N3CCSCC3)CC2)N(C)C)cc1 95376098 OZSHZWJMPNEFOR-LJQANCHMSA-N 361.555 2.638 0 50 FFAA COCCN1CCN(C(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 95529270 RJDVCIZQMWSUNO-UHFFFAOYSA-N 360.483 2.914 0 50 FFAA Cc1c(CNC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)oc2ccccc12 252499290 RYGYDKSATPUKAN-SFHVURJKSA-N 370.449 2.775 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 184564543 XEJKXXPRFABUBS-APWZRJJASA-N 374.481 2.662 0 50 FFAA C[C@H](c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1)N1CCOCC1 534667004 PYBWGUPTXKDKLD-CQSZACIVSA-N 361.467 2.513 0 50 FFAA Cc1cc(C)n(CCN(C)C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)n1 534641433 NYLCEANQPGQDEA-UHFFFAOYSA-N 368.485 2.877 0 50 FFAA N=c1cc[nH]c(-c2ccc(C(=O)NC[C@@H]3CCN(C4CCCC4)C3)cc2)n1 534675361 JEFIBARLSWBXEU-HNNXBMFYSA-N 365.481 2.550 0 50 FFAA Cc1ccc(N2C[C@@H]3[C@H](CNC(=O)c4occc4C)[C@H]4CC[C@]3(C2)O4)nc1 1940193417 BCSDWIZZXPWOIE-BIZBXSGISA-N 367.449 2.705 0 50 FFAA Cc1nn(C)cc1-c1nc(-c2c[nH]c3ccccc23)nn1CC(C)(C)O 825649939 LXOMQVMSCPCGJY-UHFFFAOYSA-N 350.426 2.906 0 50 FFAA Cc1c[nH]ccc1=NCCNC(=O)c1ccccc1OC(F)(F)C(F)F 825672746 ZGWTWSBCNIHFIV-UHFFFAOYSA-N 371.334 2.891 0 50 FFAA Cc1ccc(Cl)cc1C(=O)NC[C@H](c1ccccn1)N1CCOCC1 584890767 SCPUSGCDNZFJAF-GOSISDBHSA-N 359.857 2.847 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H](CCn2cncn2)c2ccccc2)s1 584887870 RMSBAUCMJHGYHA-MRXNPFEDSA-N 355.467 2.842 0 50 FFAA COc1cc(C)c(-c2cccc(C(=O)N3C[C@H]4[C@H](CN(C)C)[C@H]4C3)c2)cn1 584900884 PFEDMZLXQZLVOU-OWZKRDHZSA-N 365.477 2.945 0 50 FFAA CC1(C)CCCc2c(N3C[C@@H](CCO)[C@@H](CCO)C3)nc(Cl)nc21 1875275973 XMUWWQZOCDMTMK-BETUJISGSA-N 353.894 2.561 0 50 FFAA O=C(O)[C@H](CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 1875313507 OLMTYCNYGUJISF-IRXDYDNUSA-N 361.825 2.618 0 50 FFAA CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)Nc2ncc(Cl)cc2O)C1 1875344459 LGNXMDLIGPLICQ-NSHDSACASA-N 359.785 2.584 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)cs1 1565528925 JQYTWVIBQJSKHB-PBHICJAKSA-N 355.463 2.828 0 50 FFAA Cc1cn2c(CN(C)C(=O)c3c[nH]nc3[C@H]3CCOC3)c(C)nc2s1 275886921 LNWLPPIGCYQFQI-LBPRGKRZSA-N 359.455 2.512 0 50 FFAA CCS(=O)(=O)c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)cc1 276249656 DFHVGICCJSTTSN-FQEVSTJZSA-N 374.506 2.966 0 50 FFAA O=C(NO[C@@H]1CCCCO1)c1ccc(Cn2nnc3ccccc32)cc1 170608044 CDWLDNIWJQDIJS-GOSISDBHSA-N 352.394 2.668 0 50 FFAA Cc1cccc(-n2cc(C(=O)N3CCOC[C@H]3c3nc(C)cs3)nn2)c1 188642112 NVAAUAUCTHQKTP-INIZCTEOSA-N 369.450 2.554 0 50 FFAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccn1C1CC1 192231111 ZUSKDFCVIYQXOW-LJQANCHMSA-N 353.466 2.844 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCOc2ccc(F)cc21 195239299 QQDWOAVGQDBNBO-CQSZACIVSA-N 351.399 2.945 0 50 FFAA Cc1cccc(OC2CN(c3c(C(=O)O)cnc4c3c(C)nn4C)C2)c1 1529180713 JHYQMKPEIDGYLF-UHFFFAOYSA-N 352.394 2.551 0 50 FFAA O=C(Cc1nc(C(F)(F)F)cs1)N[C@@H]1CCc2ccccc2NC1=O 1469664762 JVDXVLCHEOACCX-LLVKDONJSA-N 369.368 2.774 0 50 FFAA Cc1ncc(CN(CC(=O)O)C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 1704324623 BMNRLTHEDJSAQN-IBGZPJMESA-N 359.401 2.638 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(C4CC4)ncn3)C1)CC2 1704335518 AZOZGVMQGKYACV-FQEVSTJZSA-N 350.470 2.694 0 50 FFAA CN1CCC[C@H]1C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704302377 IKUFMDABFWLKCC-SFHVURJKSA-N 353.466 2.653 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615953534 HNEZWTALNZIEGY-PMACEKPBSA-N 354.425 2.653 0 50 FFAA Cc1ccn(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)n1 1615935929 OPVITHJSAVVQFK-PXNSSMCTSA-N 364.449 2.504 0 50 FFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616074781 QLZBNONTMNCJQV-HOTGVXAUSA-N 354.372 2.641 0 50 FFAA Cc1nc(C)c(C(=O)N2CCCN(CCCn3ccnc3C)CC2)s1 1772709054 LTYCXNAGWHPWOW-UHFFFAOYSA-N 361.515 2.503 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cnn3cc(C)ccc23)c1C 1772705950 WYBPXUXMBYXTBU-UHFFFAOYSA-N 369.469 2.765 0 50 FFAA CC[C@@H](C)Cc1nc(Cc2ccc3c(c2)OCO3)n(-c2cnn(C)c2)n1 1772804766 TYDWXDGRUMESOP-CYBMUJFWSA-N 353.426 2.909 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccnc1 11839957 XTKHXTWTHSXGOH-AWEZNQCLSA-N 363.339 2.631 0 50 FFAA O=C(c1ccc[n+]([O-])c1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12073720 UFVUQMBKBAUOPU-OAQYLSRUSA-N 369.440 2.587 0 50 FFAA CSc1ncc(CN2CCC(CO)(C[C@@H]3CCCCO3)CC2)cn1 12074436 IQVVGJZHGCDIBJ-INIZCTEOSA-N 351.516 2.732 0 50 FFAA OC1(Cc2cc(-c3ccccc3)no2)CCN(CCCn2cccn2)CC1 14976846 BWVJMTPMEKGIJP-UHFFFAOYSA-N 366.465 2.998 0 50 FFAA Cc1nc(CN(C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)cs1 15065410 NULMMQADEWQZNZ-LJQANCHMSA-N 365.543 2.817 0 50 FFAA Cc1c(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cnn1C 19732956 PGPQZIUPIYKXPO-NRFANRHFSA-N 371.504 2.654 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19899289 DYESWTZXINOZPP-UHFFFAOYSA-N 364.898 2.988 0 50 FFAA CCc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@@H](C)CC4)cc1 169776426 RQEUEBCWACATPK-AWEZNQCLSA-N 364.449 2.822 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1 169778164 OAJSZWXQDIVDCM-OAHLLOKOSA-N 366.425 2.847 0 50 FFAA Cc1cccc(-c2ncc(CN3C[C@@H](C(=O)O)C4(CCOCC4)C3)cn2)c1 1857692050 MKPVCZGMOVUTKJ-SFHVURJKSA-N 367.449 2.765 0 50 FFAA COCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2CC1 1857695532 NHVJQYJTJKZGQH-LJQANCHMSA-N 360.498 2.731 0 50 FFAA Cc1cc(C)c2nc(O)c(-c3nccn3CCN3CCN(C)CC3)cc2c1 1857703984 YLZWPXMFAWNFLS-UHFFFAOYSA-N 365.481 2.668 0 50 FFAA CCCC[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@H](C2CC2)O1 1857720851 NJHAVLYHADRFTK-CRAIPNDOSA-N 358.438 2.791 0 50 FFAA COc1ccc(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)cc1 1857722957 RDOGIPIBPHYDGC-GPQLQYNLSA-N 370.493 2.591 0 50 FFAA Cc1ccc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c2cccnc12 408133174 MZRWPRHOABMXBW-JKSUJKDBSA-N 362.495 2.961 0 50 FFAA O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]21)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329098436 LXCBMZMAICFORX-XWTMOSNGSA-N 367.497 3.349 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(NC(N)=O)c1 252493980 NHXRWBALYCOLDS-ZDUSSCGKSA-N 356.401 2.667 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 262205379 VXMHLZPVHRKDTC-XHSDSOJGSA-N 359.422 2.807 0 50 FFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2ncnn2C(C)(C)C)cc1 818024352 LILFMWMJVQZICE-XLIONFOSSA-N 358.486 2.914 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CC2(COc3ccccc3C2)C1 2100483602 HKQXKLHMPSYLRW-UHFFFAOYSA-N 372.428 2.924 0 50 FFAA Cc1c(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cnn1-c1ccccn1 2100484022 ZJQDJNFWRPDQHY-USTZCAOPSA-N 367.497 2.767 0 50 FFAA CC(C)N1[C@H]2CC[C@H]1CN(c1ccc3nnc(CC(F)(F)F)n3n1)CC2 2325738254 RJRVXIDBMUTIKR-STQMWFEESA-N 368.407 2.681 0 50 FFAA COCc1cccc(CC(=O)NC[C@]23CCC[C@H]2N(C(C)=O)CCC3)c1 2325848624 LMBKGCKBYCLKIL-TZIWHRDSSA-N 358.482 2.673 0 50 FFAA Cn1cc(NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)c(O)nc1=O 2325850786 HTCDAALSZFOGQF-UHFFFAOYSA-N 353.165 2.526 0 50 FFAA COc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 640134 FFLIYDCDOCISRC-UHFFFAOYSA-N 362.270 2.998 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1 815109 HGHUCBSAGPRILS-UHFFFAOYSA-N 365.389 2.841 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1 2871616 KMKRDYKSOJMHHW-UHFFFAOYSA-N 364.511 2.924 0 50 FFAA O=C(C[C@H](C(=O)O)N1CCOCC1)Nc1ccc(Oc2ccccc2)cc1 4487934 MEGODSAOAKOGED-GOSISDBHSA-N 370.405 2.593 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1Cl 10544060 DDVDIJUTCFZIKD-OKILXGFUSA-N 374.934 2.995 0 50 FFAA OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1cccs1 20534499 GCSQNFGZDUAJLS-INIZCTEOSA-N 360.479 2.546 0 50 FFAA CCCc1cc(CNC(=O)c2ccc(N3CCC(OC)CC3)nc2)on1 20270864 DTSWOTVTIHIPHR-UHFFFAOYSA-N 358.442 2.567 0 50 FFAA C[C@@H](C(=O)NC1CCCCC1)n1ncc(N(C)Cc2ccccc2)cc1=O 20540484 QWQSXKJHYFZNFY-INIZCTEOSA-N 368.481 2.890 0 50 FFAA CCN(C(=O)c1cn2c3c(cccc3c1=O)CC2)[C@H]1CCOC(C)(C)C1 65459561 FLWAHLMOMFYGQU-HNNXBMFYSA-N 354.450 2.977 0 50 FFAA CCn1c(C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)nn(C)c1=O 67846988 HZZBFJWIVSVMQZ-UHFFFAOYSA-N 374.510 2.562 0 50 FFAA Cc1ccc(C(=O)N[C@H](C)c2cn3ccsc3n2)cc1N1CCNC1=O 65526713 ZKMRRSZZKDIQPZ-GFCCVEGCSA-N 369.450 2.725 0 50 FFAA CCn1c([C@H]2CCCN(C(=O)c3cccc4cc(C)oc34)C2)nn(C)c1=O 67783779 GTEIVDHTCQBWEU-HNNXBMFYSA-N 368.437 2.676 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 2755072 PRJXNRWHGPESOB-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA Cc1cc(C)n(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)n1 2800387 ALZZYRMLZZZFCZ-UHFFFAOYSA-N 358.409 2.519 0 50 FFAA CSCC[C@H](O)C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215596600 KHINJENEUULDBY-HNNXBMFYSA-N 365.886 2.729 0 50 FFAA O=C1OC2(CCN(C(=O)c3cccnc3)CC2)CN1CCc1ccccc1 77407772 ASBYHLJWALPGLP-UHFFFAOYSA-N 365.433 2.751 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)CCC2CC2)C1 72472969 QHYJEAZTHYHTGE-KRWDZBQOSA-N 359.518 2.697 0 50 FFAA Cc1noc([C@]2(O)CCN(C(=O)c3cc(F)ccc3-c3ccoc3)C2)n1 365315629 OUYPUEGPSGPHSQ-SFHVURJKSA-N 357.341 2.511 0 50 FFAA COCc1nc(NCc2ccc3c(c2)OCCCO3)cc(C2CC(N)C2)n1 219588925 NUCJPSRXDQBQLN-UHFFFAOYSA-N 370.453 2.601 0 50 FFAA Cc1ccc2oc(N3CC[C@@H]4[C@@H](CCC(=O)N4CCCCO)C3)nc2c1 72418053 RQUFQZGDIKQROJ-DOTOQJQBSA-N 357.454 2.726 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCCN3CCCC3)CC2)OC1=O 77516844 PXVKQHJICPOVKO-QGZVFWFLSA-N 365.518 2.864 0 50 FFAA CN(CC(=O)N(Cc1ccncc1)C[C@@H]1CCCO1)Cc1ccc(F)cc1 219725250 AKXWOLQQBXJOFK-FQEVSTJZSA-N 371.456 2.860 0 50 FFAA O=C(CCn1cccn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72426107 JKPWKMBCUMQYNZ-UHFFFAOYSA-N 367.371 2.802 0 50 FFAA CC(C)(O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)cc1 373458336 FRPKMFMPEPWLHW-LJQANCHMSA-N 353.466 2.590 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCC(=O)O)[nH]n2)cc1 237403681 UYVPWLOUDZGMKG-AWEZNQCLSA-N 357.410 2.945 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cc(C(=O)O)c(C)o1 262992861 OOFIBGBGXFIXHI-SFHVURJKSA-N 368.389 2.867 0 50 FFAA O=C(N[C@H](c1nccs1)C1CC1)N1CCN(c2cccc(O)c2)CC1 175914593 HNJPKMLBQPPJOD-INIZCTEOSA-N 358.467 2.832 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)NCc1nc2cc(F)ccc2[nH]1 176126695 LHTUZJITTYCEKV-UHFFFAOYSA-N 350.357 2.521 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c(Cl)c1 379293130 WEELZSLDGLMZNM-SKDRFNHKSA-N 356.797 2.691 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133444853 UTIMEIIEKIEURW-SESVDKBCSA-N 366.461 2.665 0 50 FFAA Cc1cc(CN2CCN(CCO)CC2)c(C)c(CN2CCC[C@@H](C)C2)c1 222429256 VMCDALXNIFPPIC-GOSISDBHSA-N 359.558 2.645 0 50 FFAA O=C(N[C@@H]1CCCNC1=O)c1cccnc1SC/C=C/c1ccccc1 222296397 BTDVLLVHZDEJAF-RCMYXZNBSA-N 367.474 2.896 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCC[C@@H](OCc2cccnc2)C1 221165822 FAETWKKCGBFHTL-MRXNPFEDSA-N 354.406 2.674 0 50 FFAA COc1ccc(CCNC(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)cc1OC 426563064 PPODYDLNMHNXBA-AWEZNQCLSA-N 360.458 2.989 0 50 FFAA Cc1ncsc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95380821 AVGJSFLJOBNSRO-HNNXBMFYSA-N 355.463 2.730 0 50 FFAA COc1cccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1OC 91914847 DWLQCPMEJGMWMV-NRFANRHFSA-N 372.465 2.569 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NC[C@@H]1CCOc2ccccc2C1 95370456 BOMJBJHPYIXGTN-MRXNPFEDSA-N 362.429 2.759 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3cc(C)sc3n2)C1 91713991 JTWZVAYAQNUPHL-CQSZACIVSA-N 357.483 2.660 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)[C@H](C)n2ccnc2C(C)C)CC1 91677480 UGMBCWACOQAUKR-INIZCTEOSA-N 373.501 2.817 0 50 FFAA Cc1cc(C)n2ncc(C(=O)NC[C@H](c3sccc3C)N(C)C)c2n1 97553211 VSNBCOLXFGRFAY-OAHLLOKOSA-N 357.483 2.749 0 50 FFAA CCCc1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91792975 FKKDIGKVTSQHQO-DLBZAZTESA-N 366.465 2.625 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCc2nnc(C(C)C)n2CC1 91626220 ZCNPPETWHDRSJN-UHFFFAOYSA-N 369.444 2.958 0 50 FFAA CCCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91755791 XLXJYGCOUXJJQD-IBGZPJMESA-N 371.525 2.935 0 50 FFAA CCCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91793363 ZOOFGPJVINFVTF-QGZVFWFLSA-N 373.497 2.628 0 50 FFAA O=C(O)[C@@H](c1ccc(O)cc1)N1CCN(C/C=C/c2ccccc2)CC1 95375696 XETZIESNYHJWNN-WWPOYFSUSA-N 352.434 2.849 0 50 FFAA COC(=O)C[C@H]1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)C1 96166838 YFZRKZOEFDAVJA-CQSZACIVSA-N 353.422 2.658 0 50 FFAA O=C1OCC2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)CC2)O1 244723926 MKFFJSKRGFVVLV-KRWDZBQOSA-N 358.438 2.569 0 50 FFAA Cc1ccnn1-c1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 299053143 SVHCCQYNHKRUAS-AWEZNQCLSA-N 366.387 2.795 0 50 FFAA COC(=O)c1cn(-c2cccc3c2ccn3C(C)C)cc2c(=O)[nH]nc1-2 253411465 OQIQXFPZHHGOAJ-UHFFFAOYSA-N 350.378 2.988 0 50 FFAA O=C(NCC1(CN2CCCC2)CC1)N1CC(Oc2cccc(Cl)c2)C1 534591676 LGTUJIOFKJCXGK-UHFFFAOYSA-N 363.889 2.989 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)NCc2cnn(C(C)C)c2)c1 534647201 FIPAVCMEBVSEKC-UHFFFAOYSA-N 350.426 2.893 0 50 FFAA Cc1ncc(C(=O)Nc2c(C)cnn2Cc2ccc(Cl)cc2)c(O)n1 1940197851 WYMLVPCRDMSETI-UHFFFAOYSA-N 357.801 2.950 0 50 FFAA Cc1noc(C)c1-c1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 299774891 JKLNTTLVEPJDFI-OALUTQOASA-N 369.465 2.630 0 50 FFAA C[C@@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccncc2)C1 822355273 YGIQOWHFFXBHLD-YRGRVCCFSA-N 353.426 2.534 0 50 FFAA O=C([C@@H]1CC[C@@](O)(c2ccccc2)C1)N1CCC(c2cc(O)no2)CC1 1875296218 KJUCAUBTDCTRAA-QRWLVFNGSA-N 356.422 2.774 0 50 FFAA CC(C)n1cnc(C(=O)NCC[C@H]2[C@@H](C)CCCN2c2ncc(F)cn2)c1 1875302253 HBKGORAHLAKOFH-YOEHRIQHSA-N 374.464 2.818 0 50 FFAA O=C(N=c1cc2n([nH]1)CCC2)[C@@H](c1ccccc1)n1cnc2ccccc21 1875302486 SATOUTBBVZOZHD-HXUWFJFHSA-N 357.417 2.829 0 50 FFAA COCc1sccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)[C@H](C)SC)C1 1875333007 UTBFSQXVDFNJID-YNEHKIRRSA-N 370.540 2.803 0 50 FFAA Cc1nc([C@@H]2COC[C@@H]2NCc2ccc(Oc3cccnc3)c(C)c2)n[nH]1 1875397916 TXRPQDKKVFJOAN-MSOLQXFVSA-N 365.437 2.881 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)N2CCN(Cc3ccco3)CC2)c1 952970443 ALGUDXHCXIUUSH-UHFFFAOYSA-N 355.438 2.832 0 50 FFAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1c(F)cccc1F 952979304 NNRZCWFAUGPQNF-UHFFFAOYSA-N 355.410 2.668 0 50 FFAA COc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CN(C)C)c2)cc1F 952977860 ORVQSERDSKUSIG-UHFFFAOYSA-N 359.401 2.895 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCO[C@H](CO)C1)c(C)n2C1CCCC1 269204296 SLHJIABEWMBNDT-KRWDZBQOSA-N 372.465 2.907 0 50 FFAA O=C(c1ccccn1)N1CCC([C@@H]2OCC[C@H]2Nc2ccccn2)CC1 888103480 JNTVOCAHSWDIQE-APWZRJJASA-N 352.438 2.598 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1C[C@]12CCCc1ccccc12 170644365 IGCHSJZFWLLKHE-UZLBHIALSA-N 368.506 2.855 0 50 FFAA O=C(C[C@H]1OCCc2ccccc21)NC1CCC(Oc2cnccn2)CC1 188271523 XOMFUXYOYFFLAK-FAFZWHIHSA-N 367.449 2.987 0 50 FFAA CC(C)c1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)nc(N)n1 1506404834 VOWANULJIRKHJR-SFHVURJKSA-N 368.485 2.534 0 50 FFAA Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1506418964 VRWVYDKAWUFSFH-LBPRGKRZSA-N 364.405 2.727 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c(C)n1 1704340385 HYUXFJDFORTXMK-NRFANRHFSA-N 365.481 2.675 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)CC12CCOCC2 1800414325 NEHURIPTDUQUNF-SFHVURJKSA-N 353.418 2.722 0 50 FFAA Cc1cc(C(N)=O)c(N2CCC3(CC2)OCCc2sccc23)nc1C 1704309251 OSCCGUJZXWZHKM-UHFFFAOYSA-N 357.479 2.927 0 50 FFAA Cc1n[nH]c(C)c1CN1CCCN(C(=O)Cc2ccccc2Cl)CC1 1772805605 QLBPIBLOEHMSFT-UHFFFAOYSA-N 360.889 2.957 0 50 FFAA CC(C)(C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11880121 ISHKOTYSWZUWHR-GFCCVEGCSA-N 357.376 2.904 0 50 FFAA CC[C@@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCC2CC2)c1=O 12155311 ZNTAPXKYLCABNQ-CYBMUJFWSA-N 359.470 2.632 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)N2CCCC2)C1 12705736 JIFSYQSGTMXWGX-HNNXBMFYSA-N 352.910 2.997 0 50 FFAA Cc1cccc(CN2CCN(C(=O)COc3ccccc3)CCC2=O)c1 15006233 RATUSHGDWGDZRO-UHFFFAOYSA-N 352.434 2.635 0 50 FFAA CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860650 MHEFZXPQAGQAPT-HIFRSBDPSA-N 372.918 2.797 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CNC(=O)c1ccccc1 154628780 WVXDEALAELBZQS-UHFFFAOYSA-N 365.433 2.600 0 50 FFAA CCOc1cc(F)ccc1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 110227847 CMLYNZJKAFNJRF-UHFFFAOYSA-N 368.368 2.761 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2CN)cc1OC 236986322 NPKNRFRMTGMMNF-LBPRGKRZSA-N 371.275 2.810 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCOCC1 238070473 BCNJWUBNIBODFL-HOTGVXAUSA-N 351.830 2.926 0 50 FFAA Cc1ccc(CNC(=O)[C@H](C)N2CC[C@@H](CNc3ccccn3)C2)cc1 246102922 IAXLKALBVPYNIM-HKUYNNGSSA-N 352.482 2.829 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)n1 14883729 GSJLLPDZVHOYCF-SFHVURJKSA-N 360.417 2.889 0 50 FFAA Cc1cc(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)on1 141612541 GEZPQYNCADOIGQ-UHFFFAOYSA-N 370.240 2.717 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)cc1 919985966 XQTLEPJTTMHHDH-OAHLLOKOSA-N 370.371 2.672 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)c(F)c3)C1)CC2 1704305439 VSCFCSAUUAGISV-HXUWFJFHSA-N 370.428 2.508 0 50 FFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31 838956656 WDYRIINQTDDQHB-BNLFXNIWSA-N 370.323 2.966 0 50 FFAA C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2cnc(N)nc2C1 857968182 FPHNPIWXEUDBJH-OAHLLOKOSA-N 361.449 2.863 0 50 FFAA COCc1nn(C)cc1NC(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 2325803387 CZQNDCFKRQMAMT-AWEZNQCLSA-N 357.414 2.552 0 50 FFAA Cc1ccc(CN[C@@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)C2)cc1F 2325806557 UATKEMKATUJUDS-QGZVFWFLSA-N 366.440 2.944 0 50 FFAA N[C@H](CN=c1ccnc(-c2ccccn2)[nH]1)c1ccccc1Br 2325857817 QJNLAJBSHRXKQC-CQSZACIVSA-N 370.254 2.835 0 50 FFAA Cc1oc(S(=O)(=O)N[C@@H](C)c2cccc3cnccc23)cc1C(=O)O 2325875387 QCTYIJOAYSOWPQ-JTQLQIEISA-N 360.391 2.874 0 50 FFAA O=C(N[C@@H](Cc1csc2ccccc12)C(=O)O)c1ccn2ccnc2c1 2325876953 FTUOLNSXVMHFHG-HNNXBMFYSA-N 365.414 2.975 0 50 FFAA C=CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)c3c2C(=O)NC3)cc1 2325894312 SBJWQFWUKQNPFZ-UHFFFAOYSA-N 369.808 2.889 0 50 FFAA CC(C)(C)c1nnc(CNC(=O)[C@]2(C(=O)O)C[C@@H]2c2ccccc2)s1 907639758 NAVMUFREXMYPTA-XIKOKIGWSA-N 359.451 2.710 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1 2871944 XTDQCAVAQMLTEJ-SFHVURJKSA-N 359.447 2.892 0 50 FFAA Cc1c(C)n(CCCO)c2ncn3nc(COc4ccccc4)nc3c12 6760600 VMNIMJKGYPERKN-UHFFFAOYSA-N 351.410 2.657 0 50 FFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCCC[C@H]2c2ncon2)CC1=O 246610568 CFZOEPIVJHCUDB-PVAVHDDUSA-N 368.437 2.733 0 50 FFAA COCCN(C1CCN(C)CC1)[C@H](C(=O)O)c1ccc(OC(C)C)cc1 55108595 QFQXVGWTNOZVJK-IBGZPJMESA-N 364.486 2.642 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CCO[C@@H](c3ccco3)C2)C1 246992453 GOGBRKMJOFICFT-HNAYVOBHSA-N 371.437 2.650 0 50 FFAA O=c1[nH]nc(CCNC2CCN(c3cccc(-c4ccccc4)c3)CC2)[nH]1 23367667 BBOKJHGSRNVRFQ-UHFFFAOYSA-N 363.465 2.566 0 50 FFAA CCOC(=O)c1cnn(-c2ccccn2)c1CN(C)[C@@H](C)c1ccon1 23366790 BCPGLDIBUFTEPK-ZDUSSCGKSA-N 355.398 2.625 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccncc2)[C@H](c2cccnc2)C1 252478587 APYQPAIMTHHPHX-KRWDZBQOSA-N 368.437 2.911 0 50 FFAA CN1CCC[C@@]2(CCN(Cc3cccn3-c3ccc(Cl)cn3)C2)C1=O 11753790 ZGFXZQBITPDURW-IBGZPJMESA-N 358.873 2.970 0 50 FFAA Cn1ccc(CC(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 12468082 LAOSOHGOHZHYSI-HNNXBMFYSA-N 354.479 2.963 0 50 FFAA CC(C)Cn1ncnc1CN(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328646672 SUALYJULODFFJG-ZDUSSCGKSA-N 370.423 2.844 0 50 FFAA CC(C)Cc1nc(CN(Cc2nccs2)[C@@H]2CC23CCNCC3)no1 328607568 WLWHESUPBRKRGA-CQSZACIVSA-N 361.515 2.869 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N(C)Cc1ccc(-n2cccn2)cc1 72470165 KTKUTWADUVNQRF-UHFFFAOYSA-N 367.453 2.686 0 50 FFAA COc1ccc2cc([C@@H](C)NC(=O)CN(C)C3CCNCC3)ccc2c1 215976056 IVBHKISQMOPQOD-OAHLLOKOSA-N 355.482 2.709 0 50 FFAA Cc1nc([C@H]2CN(C(=O)CCN3c4ccccc4CC[C@@H]3C)CCO2)no1 329546647 OJSNJMLIZMIZFZ-KBXCAEBGSA-N 370.453 2.509 0 50 FFAA COc1ccccc1C[C@@H]1CCCN1C(=O)CNC(=O)c1cccs1 124204060 RSRLEWSZTMTMOA-HNNXBMFYSA-N 358.463 2.720 0 50 FFAA COc1cc(O)ccc1CN1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 72152566 QNYCLAWOGQFSLV-UHFFFAOYSA-N 354.450 2.862 0 50 FFAA FC(F)(F)COc1ccccc1NCc1nnn(CC(F)(F)F)n1 253419088 IFMNNWDJECGCMN-UHFFFAOYSA-N 355.242 2.789 0 50 FFAA NC[C@H]1CCN(c2cnn(Cc3ccccc3-c3ccccc3)c(=O)c2)C1 77301326 JIBVWHHWKBOMAC-QGZVFWFLSA-N 360.461 2.744 0 50 FFAA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2F)C1 331253864 SBWUVECKIJTCDT-RYUDHWBXSA-N 354.397 2.827 0 50 FFAA Cc1c(C(=O)N(C)CC2(O)CCCC2)nnn1-c1cccc2ncccc12 153622896 XDBDPIOTJOCNCB-UHFFFAOYSA-N 365.437 2.501 0 50 FFAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3csnn3)C2)cc1C 12718633 UUROZMUJSZAXSF-CYBMUJFWSA-N 359.451 2.899 0 50 FFAA CN(CC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)Cc1cccnc1 72421222 PHUHFGGEVBDFGI-QGZVFWFLSA-N 363.465 2.796 0 50 FFAA Cc1cc(N2CCC[C@H](NC(=O)N3CCc4cccc(C)c4C3)C2)n(C)n1 333743706 RSBIZJHNWRDDIL-SFHVURJKSA-N 367.497 2.774 0 50 FFAA CCN(Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)C[C@@H]1CCCO1 72432577 RYZUOEHCLOFORS-KRWDZBQOSA-N 357.454 2.859 0 50 FFAA CN(Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1cccc2ncccc12 72125593 HCEAXGFKXTXPBD-UHFFFAOYSA-N 373.478 2.851 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1C 237735954 SKHWVAZEARYKIY-INIZCTEOSA-N 371.437 2.585 0 50 FFAA CC(C)c1cc(N2CCN(CCc3ccccn3)CC2)n2nccc2n1 72132143 DWUDPABPPFPEGS-UHFFFAOYSA-N 350.470 2.612 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 285580718 KMLSMVQGTQUFME-GJZGRUSLSA-N 352.312 2.754 0 50 FFAA COc1nc2c(cc1CNC(=O)c1occc1C)C(=O)N(C1CCCC1)C2 71776030 JNZBPBDDGSSDQX-UHFFFAOYSA-N 369.421 2.820 0 50 FFAA CCCS(=O)(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 72156282 WNZUBGNLVYWPAO-SFHVURJKSA-N 354.491 2.853 0 50 FFAA CC(C)OC(=O)c1c(NC(=O)COCC(=O)O)sc2c1CCCCC2 17075721 ANEWGCJPKNWRTJ-UHFFFAOYSA-N 369.439 2.622 0 50 FFAA C[C@@H]1C[C@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CN1C1CC1 177075808 QTNHPPDSPPOXIX-YPMHNXCESA-N 371.462 2.894 0 50 FFAA Cc1nc(N2CCCC2)nc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)c1C 426689086 CVAAJNMFMSABAT-GOSISDBHSA-N 366.465 2.879 0 50 FFAA O=C(Cc1noc(COc2cc(F)cc(F)c2)n1)NC1CCCCC1 289910940 VBXWCINLUORMGB-UHFFFAOYSA-N 351.353 2.918 0 50 FFAA Cc1nn(C)c(C)c1CN(CCO)C(=O)N[C@@H](C)c1ccc(Cl)cc1 426513752 SYQGRLIWGBPLRD-LBPRGKRZSA-N 364.877 2.955 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772444 XNRNNGPBEPRNAR-OSLFAYMMSA-N 370.486 2.769 0 50 FFAA in-vitro CCc1ccc(-n2cnnc2)cc1NC(=O)N[C@H](CC)c1ccnn1C 426494296 CKCBUWRSVMNDFU-OAHLLOKOSA-N 353.430 2.836 0 50 FFAA COc1ccccc1OCCCSc1nnc(C2CCNCC2)n1C 426582761 GKSYEAIDHYKLAP-UHFFFAOYSA-N 362.499 2.852 0 50 FFAA Cc1cccc(C)c1OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239339232 LWOYIRFJSMUARP-NKPHKUNOSA-N 365.429 2.650 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCc1noc(CO)n1 95517408 NAIKPTFGCOFURZ-MRXNPFEDSA-N 369.396 2.582 0 50 FFAA CCOC(=O)Cc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1 95520959 URHHTFDLIIXJSX-UHFFFAOYSA-N 373.375 2.504 0 50 FFAA O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1C[C@@H]2CCCN[C@@H]2C1 95355620 IFTYGHZOOOJDRS-MAUKXSAKSA-N 364.424 2.964 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]2N(C)C)cc1 95510085 MKOVYNQWCBXXRT-RBUKOAKNSA-N 366.461 2.822 0 50 FFAA COc1cccc(CCC(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c1 91892784 JSYWQWXUSVEOJR-IERDGZPVSA-N 361.482 2.654 0 50 FFAA C[C@H](C1CCN(c2cc(C(=O)O)c3ccccc3n2)CC1)N1CCOCC1 95375508 ZYCMXRCBKDMHTL-OAHLLOKOSA-N 369.465 2.870 0 50 FFAA O=C1C[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C2(CCCC2)O1 97360048 VBNKPHYFDUFGTG-MBNRZODZSA-N 368.477 2.720 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3ccoc3)C2)CN1Cc1ccncc1 91493145 CFZGWBRGRWVRSU-HXUWFJFHSA-N 353.422 2.720 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccc(=O)[nH]c1 92107333 HHXZYZYAYSABNG-ZDUSSCGKSA-N 369.469 2.733 0 50 FFAA COCCN(Cc1cccc2ccccc12)C(=O)CN1C(=O)CC[C@@H]1C 95515129 BCCXRGOOMQGFMF-INIZCTEOSA-N 354.450 2.826 0 50 FFAA COc1ccc(Cl)c(S(=O)(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1 294676332 SDUNJFQRCHUQIO-INIZCTEOSA-N 371.886 2.928 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)c1cccc(-c2ncc[nH]2)c1 97729677 FDZZSIRKCATBOK-UHFFFAOYSA-N 361.449 2.866 0 50 FFAA O=C1CC2(CCN(C[C@H]3CCOC3)CC2)CN1Cc1cc(F)cc(F)c1 91792701 GZIKQYCSRAKTGH-OAHLLOKOSA-N 364.436 2.816 0 50 FFAA C[C@H](NS(C)(=O)=O)c1nc(-c2ccccc2)nn1Cc1ccccc1 96152196 NFXZCZZUODMKFF-AWEZNQCLSA-N 356.451 2.604 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCCCn1nnc2ccccc21 91819579 JGSRBFHEFPRWDU-UHFFFAOYSA-N 360.421 2.501 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCN(Cc3csc(C)n3)CC2)N(C)C)cc1 95360190 BFOVIDQDLDXVFO-LJQANCHMSA-N 372.538 2.707 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 299745322 XXPLZHUBNSJJDT-CYBMUJFWSA-N 361.373 2.522 0 50 FFAA C[C@@H](NC(=O)c1nn(C)cc1I)[C@H]1C[C@H]2CC[C@H]1C2 102616575 IFZNMBRSZLXSSZ-VPOLOUISSA-N 373.238 2.579 0 50 FFAA CC(C)N1CCO[C@@H](CC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 299782773 GBTDVIKCTMFQJJ-KRWDZBQOSA-N 361.417 2.596 0 50 FFAA Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(Cc2ccncc2)CC1 299795894 MPHNBFGEVPGJMV-QGZVFWFLSA-N 373.526 2.861 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCCc3nc(C)cc(O)n3)o2)cc1 824689331 WAVBWECPUKNHPG-UHFFFAOYSA-N 353.378 2.732 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)N2CCC(Oc3ncccn3)CC2)n1 584902422 QJOKWMPIENFOIY-LBPRGKRZSA-N 361.471 2.598 0 50 FFAA COc1cc(OC)c(OC)cc1CN=c1cc(-c2ccccn2)nc(C)[nH]1 1875255370 MRXNYVGUVVRIHY-UHFFFAOYSA-N 366.421 2.907 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 1875381346 RLCSTQYFXYETMP-ZDUSSCGKSA-N 370.840 2.656 0 50 FFAA O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC[C@H](n2ccnn2)CC1 1875311312 UITPWIUIAHCUKD-NSHDSACASA-N 368.363 2.696 0 50 FFAA Cn1c(Cl)cnc1S(=O)(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 1875404331 FNBZQZHGIGWDOB-ZDUSSCGKSA-N 355.847 2.973 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccc(-c2ncon2)cc1)c1ccccc1F 952973041 MQQQLWBIGBZLKM-QGZVFWFLSA-N 354.385 2.795 0 50 FFAA Cc1ccc2cc(CN3CCN(c4ncnc(C)c4C)CC3)c(O)nc2c1 952968999 QEZUWTASMLACTD-UHFFFAOYSA-N 363.465 2.978 0 50 FFAA C[C@@H]1CN(C)C[C@H](c2nnc(-c3cc(Cl)c4c(c3)OCCO4)o2)O1 886088857 NFQNCPKAGFXZLF-NOZJJQNGSA-N 351.790 2.553 0 50 FFAA O=C(c1cccc(N2CCOC2=O)c1)N1CCc2[nH]nc(C(F)F)c2C1 888092807 GTYMMTLBFBPCCB-UHFFFAOYSA-N 362.336 2.502 0 50 FFAA COc1ccc([C@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]2N(C)C)cc1 1565529855 RYOICLBCMNDJFN-UXHICEINSA-N 356.441 2.933 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cc(O)n1 275645683 KIWHEJFDELMQBN-OAHLLOKOSA-N 372.494 2.679 0 50 FFAA Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Nc1cccc(CC(=O)O)c1 170644092 UFZUOWUICPTAIW-UHFFFAOYSA-N 365.455 2.683 0 50 FFAA O=C(NS(=O)(=O)c1cccnc1)[C@H](OC1CCCC1)c1ccccc1 170620478 CYODYCPAJYFMLZ-QGZVFWFLSA-N 360.435 2.587 0 50 FFAA CO[C@@H](C)CCC(=O)N[C@H](CC(=O)O)c1ccc(Br)cc1 190686581 GKLFIKVUNWCGCI-GXFFZTMASA-N 358.232 2.896 0 50 FFAA COc1cccc(OC)c1S(=O)(=O)Cc1nc(-c2cccs2)n[nH]1 195061622 MIFADBLPQYNMLX-UHFFFAOYSA-N 365.436 2.524 0 50 FFAA O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)[C@@H]1CSCCS1 766996059 GGZCFRJUODIGCX-OAGGEKHMSA-N 354.493 2.753 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1nc2ccccc2s1 1704341178 YFMMQSHLRSUMBD-UHFFFAOYSA-N 371.510 2.851 0 50 FFAA CCCc1nc(C)cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 219396440 SHIDQEGJUZRAMQ-ZBFHGGJFSA-N 371.510 2.821 0 50 FFAA Cc1nnc(CN(C)C(=O)[C@H]2CCc3sc(-c4ccncc4)nc3C2)o1 1772809057 KWKNAFVINSDLOQ-ZDUSSCGKSA-N 369.450 2.660 0 50 FFAA CSCCC(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12208689 PZRMZSLZSLJBOM-LJQANCHMSA-N 364.486 2.920 0 50 FFAA CN1C[C@@H]2C[C@@H](c3cnn(-c4ccccc4Cl)c3)N3CCC[C@@]23C1=O 12432802 ZKUQKADPDYOGTK-FNHZYXHNSA-N 356.857 2.893 0 50 FFAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCC[C@@H](O)C1 12595847 RULFDPMBUDGKOR-LLVKDONJSA-N 354.765 2.643 0 50 FFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)CC(C)(C)CO 12704176 HKNWSSTUKMGZKR-LJQANCHMSA-N 374.569 2.833 0 50 FFAA CCOc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 13667791 TUNROTBHUSUQIZ-UHFFFAOYSA-N 354.450 2.848 0 50 FFAA CN1CCN(c2ncccc2CNC(=O)c2cc3ccccc3o2)CC1 14971981 DQXGISLJTBUTDZ-UHFFFAOYSA-N 350.422 2.510 0 50 FFAA Cc1ccc(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760156 PSOMQZBLDRZCAX-UHFFFAOYSA-N 350.422 2.712 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cn4cc(Cl)ccc4n3)n[nH]c21 1857531056 AOFRJQUSVGMNBU-ZJUUUORDSA-N 359.817 2.663 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(C(=O)C[C@H]3CC3(F)F)CC1)OCC2 1857699114 ONNOQUSKSQDXAC-NSHDSACASA-N 371.405 2.882 0 50 FFAA Cc1nc(O)cc([C@H]2CCCN(C(=O)c3ccc4sc(=N)[nH]c4c3)C2)n1 1857718974 AMWZTXCNBYQQJP-LBPRGKRZSA-N 369.450 2.533 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc2nc[nH]c2c1 1857730643 YACFFBNGWSSRBI-ABSDTBQOSA-N 362.433 2.507 0 50 FFAA CN(C)C[C@@H]1OCCN(S(=O)(=O)CC2CCCC2)[C@H]1c1ccccc1 1857736169 YIEQVPNSXHFYII-OALUTQOASA-N 366.527 2.510 0 50 FFAA CC1(C)COc2c(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)cc(Cl)cc21 1857738456 ISFPCTZTBPIDBF-CNVJLJKISA-N 363.885 2.982 0 50 FFAA CC(=O)N1CC[C@H](NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C1 126821523 OZEVBQPAQKQWNG-LBPRGKRZSA-N 372.899 2.762 0 50 FFAA O=C(O)CC1(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CCC1 262550002 WUPLDCJJBJWHHL-UHFFFAOYSA-N 374.828 2.925 0 50 FFAA O=C(Nc1cccc(CCCO)c1)C1(n2cc(Br)cn2)CC1 935321156 IKOAXFKLDYROAU-UHFFFAOYSA-N 364.243 2.698 0 50 FFAA COC(=O)Cc1ccc(I)c(Br)c1 40571530 YSQISPDDCMZLFK-UHFFFAOYSA-N 354.969 2.769 0 50 FFAA Cc1cccnc1C[C@H]1NC(=O)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O 2325776852 FKOYZLGSZGLBGU-MSOLQXFVSA-N 351.450 2.586 0 50 FFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1ccc(-c2nc3ccccc3s2)o1 2325790367 HEKUHMRHZRIPKU-ZYHUDNBSSA-N 353.403 2.659 0 50 FFAA O=C(Nc1cnn2cccnc12)N1CCC(Oc2ccc(Cl)cn2)CC1 2325810463 MAONQNPSKOCNAU-UHFFFAOYSA-N 372.816 2.853 0 50 FFAA O[C@@H](Cn1cnc2c(N3CCC=C(c4ccccc4)C3)ncnc21)C(F)F 2325815475 LSQANLFUGSOAHO-HNNXBMFYSA-N 371.391 2.746 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3ccncc3)nc2)C1 20454089 IMUUHCYSSBLMAV-QGZVFWFLSA-N 354.454 2.630 0 50 FFAA O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 953264 QLODJHACSILFLB-INIZCTEOSA-N 370.902 2.896 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 1133251 FWGULJOEUKEQKV-NSHDSACASA-N 354.378 2.579 0 50 FFAA COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 1173503 RKSQXLBOBAPYPH-LBPRGKRZSA-N 366.414 2.628 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(Cl)cnn2C)CC1 6715501 UTIQIJPKVBOEND-UHFFFAOYSA-N 353.253 2.998 0 50 FFAA CN(C)CCOc1cccc(CC(=O)NCCOc2cccc(F)c2)c1 225413372 VZRMEGPBCMCHKB-UHFFFAOYSA-N 360.429 2.504 0 50 FFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2n1C1CCCC1 133896506 PVNPOYRRSFWSRK-ZDUSSCGKSA-N 361.467 2.915 0 50 FFAA C[C@H](O)CN1CCN(Cc2c(F)cccc2OC(F)(F)F)[C@H](C)C1 225806969 YURAQBYVEDEGGA-NEPJUHHUSA-N 350.356 2.611 0 50 FFAA Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C)nc4)CC3)nc2c1 112264201 HAMFARBTTNJHNY-UHFFFAOYSA-N 350.422 2.731 0 50 FFAA O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nc(O)oc2c1 416379223 VOZPATUEYIRGDK-DTWKUNHWSA-N 364.345 2.933 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc4sc(N)nc4c3)CC2)c1 20560549 SDESONBSESAVRD-UHFFFAOYSA-N 368.462 2.850 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](c2cccnc2)N2CCCC2)c1C 65382074 RNYIDXIGLZQHHF-KRWDZBQOSA-N 354.454 2.796 0 50 FFAA CCn1c(CC2CCN(Cc3ccc4occc4c3)CC2)nn(C)c1=O 65380607 IXFBKGSNMYZKIR-UHFFFAOYSA-N 354.454 2.803 0 50 FFAA O=C(O)CSc1nnc([C@@H]2CCCNC2)n1-c1cccc(Cl)c1 65382719 ZSQSFUCFPXTEEO-SNVBAGLBSA-N 352.847 2.564 0 50 FFAA CCC1(CC)[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C[C@H]1OC 151043949 BOEUSJWGNRNKGW-CGTJXYLNSA-N 374.481 2.707 0 50 FFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CC(=O)N1c3ccccc3C[C@H]1C)C2=O 252457543 QGRLJURSMLVZMT-RPNZERQGSA-N 369.465 2.711 0 50 FFAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1 4904286 OVEJTYRFUUIEPL-IBGZPJMESA-N 353.397 2.668 0 50 FFAA aggregator CCc1ccc(CN2CCC(c3nnc(CN4CCCC4)n3C)CC2)nc1 77377642 QZAVKSMSMQXWJH-UHFFFAOYSA-N 368.529 2.748 0 50 FFAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)N1CCCN(C)C(=O)C1 253431929 VKYQCKZNLYRGNY-UHFFFAOYSA-N 369.425 2.618 0 50 FFAA COc1ccccc1OC1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 72426752 PRLNKGACYQVDKT-IBGZPJMESA-N 359.397 2.938 0 50 FFAA CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 330907299 NWFBBDGPKHSXDV-CVEARBPZSA-N 371.474 2.797 0 50 FFAA CCN(C(=O)c1cc(COc2ccccc2OC)[nH]n1)C1CCOCC1 71771326 QSNCMPJGJFHLCU-UHFFFAOYSA-N 359.426 2.638 0 50 FFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cnn(-c4ccccc4C)c3)[C@@H]2C1 127220706 JNJFEHCGZSIUCI-QRQLOZEOSA-N 355.438 2.589 0 50 FFAA CC(C)c1ccc(-n2cnnc2SCC(=O)N(C)Cc2cc[nH]n2)cc1 484013206 UZFSPWSAPKCZKD-UHFFFAOYSA-N 370.482 2.865 0 50 FFAA c1ccc(-n2cc(CN3CCc4[nH]cnc4[C@@H]3c3cccnc3)nn2)cc1 215594135 VZRVZGXRSUNDQN-FQEVSTJZSA-N 357.421 2.533 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)o1 72480084 YSPIEMDZUZBGSM-UHFFFAOYSA-N 374.441 2.502 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1 237641354 RBOLUZGKZNVECB-LJQANCHMSA-N 358.394 2.807 0 50 FFAA CO[C@H](C)c1noc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 261778426 PGUMPWHCBQIEQC-UKRRQHHQSA-N 362.499 2.983 0 50 FFAA CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCCN(C(C)=O)C1 175269582 HHPSHJVHKUSQLZ-LEWJYISDSA-N 371.525 2.616 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)CCC1=O 77489624 CWEYAQIIYSVPKK-OAQYLSRUSA-N 372.513 2.933 0 50 FFAA C[C@H](Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)[C@H]1CCOC1 374347231 CHZRMXMPMMVDBF-GJZGRUSLSA-N 358.486 2.704 0 50 FFAA O=S(=O)(c1cccs1)N1CCC[C@@](CO)(Cc2ccccc2)C1 76973244 FHGPQFXSESBQNL-QGZVFWFLSA-N 351.493 2.754 0 50 FFAA CC(=O)N1CCc2c(nc(C)nc2NCc2cc(-c3ccccc3)[nH]n2)C1 71747238 CEXMVPVKTQBRDI-UHFFFAOYSA-N 362.437 2.692 0 50 FFAA COc1cccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 245492747 KBIXXPUTOINZOK-FXAWDEMLSA-N 369.465 2.700 0 50 FFAA O=C([C@@H]1CCCCN1C(=O)c1cccnc1)N1CCOC2(CCCCC2)C1 174468872 VZGFTTJPZRZXDB-SFHVURJKSA-N 371.481 2.638 0 50 FFAA COc1c(C)cnc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1C 220554355 VPHCSKCFWYOEHA-IBGZPJMESA-N 356.470 2.753 0 50 FFAA O=C(Cn1ccc(-c2ccncc2)n1)Nc1ccnn1Cc1cccs1 48360838 VXCBBNFDRVNQSY-UHFFFAOYSA-N 364.434 2.890 0 50 FFAA Cc1cc(OC[C@@H](O)CNC(=O)c2cc(C(C)C)nn2C)ccc1Cl 82108193 XZUSREVZZNYPLU-ZDUSSCGKSA-N 365.861 2.675 0 50 FFAA COc1ccc(Cn2cc(C(=O)Nc3cc(CN(C)C)ccn3)cn2)cc1 176927774 KLHQQLWCBLYEGK-UHFFFAOYSA-N 365.437 2.649 0 50 FFAA Cn1cc(SCC(=O)NC[C@@H](CO)Cc2ccco2)c2ccccc21 426503595 SFCJVRSENYVHQU-AWEZNQCLSA-N 358.463 2.831 0 50 FFAA CCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cc1 222251141 VVIOEUUTQOQINR-IAGOWNOFSA-N 362.451 2.646 0 50 FFAA C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(C)(C)C)cc1 45419178 LHUZZGYZEQZOAT-GDBMZVCRSA-N 366.527 2.833 0 50 FFAA CCn1ncc(CN(C)C(=O)c2ccc(Cn3cc(Cl)cn3)o2)c1C 20615776 CBQXLLUIWPOVBR-UHFFFAOYSA-N 361.833 2.975 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCC(Cn3cc(C)cn3)CC1)C2 91830416 XXWACIUNZRAZQV-GOSISDBHSA-N 369.465 2.690 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)c3cccc(Cn4cccn4)c3)CC2)n1 92003868 XIDKCTNEMGJEFA-UHFFFAOYSA-N 363.465 2.955 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccccc1F)CC2 91656399 IOJJVACZRFPSDV-UHFFFAOYSA-N 368.456 2.835 0 50 FFAA Cc1cccc(C[C@H](CNC(=O)c2ncoc2[C@@H]2CCCO2)C(=O)O)c1 237698436 FYUJPMMLFWZRQH-CABCVRRESA-N 358.394 2.508 0 50 FFAA COc1cccc2c1OC[C@H](Cc1ccc3ncnc(NCCO)c3c1)C2 95385545 RMGYIKXHJHYINK-OAHLLOKOSA-N 365.433 2.836 0 50 FFAA COc1ccccc1OC1CN(C(=O)Cn2c(C)nc3ccccc32)C1 95354408 ZDRJKHNJHNWVIU-UHFFFAOYSA-N 351.406 2.643 0 50 FFAA CCCCS(=O)(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 91563416 LEKOYSGHPOAGCO-UHFFFAOYSA-N 362.499 2.636 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1ccc3nsnc3c1)C2 95383542 FRVVPYRQXXVPFJ-AWEZNQCLSA-N 369.446 2.910 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)N[C@H]3CCCOCC3)c2C1 180158890 WVHKTGNRVBPXMK-HNNXBMFYSA-N 353.466 2.912 0 50 FFAA COc1ccnc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 91604207 KJKHMHZQJNPDPT-UHFFFAOYSA-N 350.426 2.509 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 96139807 KDLHWKMSILPYSE-CQSZACIVSA-N 367.457 2.972 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91768896 ITLJTGBGEFUQDF-HUUCEWRRSA-N 368.880 2.574 0 50 FFAA COc1cccc(OCC(=O)N2CCC[C@H](OCc3cccnc3)C2)c1 91650987 RPPCQLCMUMNLKQ-IBGZPJMESA-N 356.422 2.677 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)ccn1 180307119 CXZWXAOUGKCWJL-HOCLYGCPSA-N 369.469 2.816 0 50 FFAA CS[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccco3)C2)CC1 91676807 OBHFPHVTCHMGRD-CQSZACIVSA-N 350.484 2.762 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)NCc2noc([C@@H]3CCCO3)n2)cc1 96135923 WFNLDINNELNREF-HNNXBMFYSA-N 368.397 2.737 0 50 FFAA O=C(CN1CCC[C@H](c2ccccc2)C1)NCc1nnc2n1CCCCC2 95368485 JWYRULOIUNBBNR-SFHVURJKSA-N 367.497 2.500 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CC1=O 95368556 XFVMJZPBYFDFPC-UHFFFAOYSA-N 374.456 2.881 0 50 FFAA COc1ccccc1N1CCN(Cc2noc(C3CCCC3)n2)CC1=O 91649973 OYQXVPJEVOBKKK-UHFFFAOYSA-N 356.426 2.585 0 50 FFAA COc1ccc(C(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c(C)c1 244853011 VDQKJMWFHJAVFR-KHYOSLBOSA-N 356.422 2.649 0 50 FFAA Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)s1 244690856 IYEUDXSQVMDEGT-CQSZACIVSA-N 366.508 2.870 0 50 FFAA Cc1csc(C(=O)N2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)c1 296901085 DQUSBMRBWRYKIY-INIZCTEOSA-N 368.462 2.910 0 50 FFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)c1 251072039 IWVAHYRXZRKEHN-OVWQWFNUSA-N 364.511 2.763 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)C[C@H]3CN(C(C)C)CCO3)no2)cc1 534639342 FCALMXUMAIRXLI-SFHVURJKSA-N 357.454 2.766 0 50 FFAA O=C(NC1CCC1)c1cn2c(n1)CCN(C/C=C/c1ccccc1)CC2 1940198219 VUAXVRISOXWJNX-VMPITWQZSA-N 350.466 2.737 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1C 299781180 RBHBQCGGEIGKCJ-UHFFFAOYSA-N 353.422 2.891 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCC[C@H](c2ccncn2)C1 299779827 RTGUHPMIFWSWLW-AWEZNQCLSA-N 374.466 2.600 0 50 FFAA O=C1C[C@@H](C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)C2(CCCC2)O1 299792014 DECQJRVDOKKKDY-HNNXBMFYSA-N 357.385 2.708 0 50 FFAA C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C 642814910 MEDBIJOVZJEMBI-YOEHRIQHSA-N 361.511 2.857 0 50 FFAA in-vivo CC(C)(C)N1C[C@@H](CNC(=O)c2ccc(Cn3cccc3)cc2)CC1=O 299765260 LALPORDHJHDMCQ-QGZVFWFLSA-N 353.466 2.913 0 50 FFAA COCc1nc(CCc2c(C)nn(C)c2C)n(CCc2ccccc2)n1 670459036 ZYAHOEQNUFDYDT-UHFFFAOYSA-N 353.470 2.803 0 50 FFAA CC(C)CC(=O)N1CCN(C2CN(CC[C@@H]3CCCC3(F)F)C2)CC1 1875362231 WZLOUFHQPFDDJW-INIZCTEOSA-N 357.489 2.686 0 50 FFAA Cc1nc(C(=O)N[C@H]2CCCC[C@H]2CN=c2[nH]c3ccccc3o2)co1 1875326393 ABAMVSNRDYSGEC-KBPBESRZSA-N 354.410 2.947 0 50 FFAA O=C1CC[C@@H](N2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)C(=O)N1 1875290059 NWSMFIWDTYFPPM-IEBWSBKVSA-N 359.385 2.518 0 50 FFAA Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cn(C)nn1 952853125 OQSWGLJRFZKPOH-WMZOPIPTSA-N 357.458 2.655 0 50 FFAA COc1ccccc1[C@H](C)NC(=O)CNC(=O)c1cc2c(s1)CCC2 1875255891 VMPMMRWPAKCCLV-LBPRGKRZSA-N 358.463 2.853 0 50 FFAA Cc1nc(-c2ccc(NC(=O)[C@@H](c3cccnc3)N3CCCC3)cc2)n[nH]1 952860282 KVORWHIHQDOHKT-GOSISDBHSA-N 362.437 2.951 0 50 FFAA C[C@H](C(=O)NCc1ccccc1-n1cccn1)c1nnc(O)c2ccccc12 952969807 KANLUQKHIRWULP-AWEZNQCLSA-N 373.416 2.941 0 50 FFAA CC(=O)c1ccccc1C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1 952986497 LRSXHXVRRRJHKE-UHFFFAOYSA-N 353.422 2.950 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N(Cc1ccc(F)cc1)CC1CC1 187016577 OIFFKDVZUUCTAZ-UHFFFAOYSA-N 373.400 2.888 0 50 FFAA O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc2n1CCCCC2 278602234 FYCOUVADAGFRLB-UHFFFAOYSA-N 354.435 2.867 0 50 FFAA COC(=O)c1cc(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)c(F)cc1F 170603902 ZZSBCSGNIGHWEN-VIFPVBQESA-N 356.369 2.631 0 50 FFAA Cc1ccc(CNC(=O)c2cn3ccnc3s2)c(O[C@@H]2CCOC2)c1 188512602 CABSCTBDAYVWKX-CQSZACIVSA-N 357.435 2.802 0 50 FFAA C[C@H](NC(=O)N1CCSC[C@@H]1c1cnn(C)c1)[C@H]1COc2ccccc21 189673052 VPVAZQUKGGJZDX-IAOVAPTHSA-N 372.494 2.784 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)c1ccccc1OC[C@H]1CCCO1 194240050 DDOAXICVPIGUAN-GOSISDBHSA-N 358.482 2.849 0 50 FFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCO)Cc2cnc(C)[nH]2)c1 1704308415 QOZMRUOHQMWMLZ-OAHLLOKOSA-N 359.470 2.938 0 50 FFAA O=C(c1ccc[nH]1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 215324942 HSTVCYDBNKOSLW-PBHICJAKSA-N 357.479 2.772 0 50 FFAA CN1CCOC2(CCN(C(=O)Cc3ccccc3C(F)(F)F)CC2)C1 1772809499 CKGLNFGJGUCLJC-UHFFFAOYSA-N 356.388 2.571 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3F)n2)cc1 5388858 UFHWVGFTPUSHBW-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(C)ccc1C)CC2 11783532 DOHQRESMDHGNIW-INIZCTEOSA-N 369.513 2.616 0 50 FFAA CN1N=C(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)CCC1=O 12056359 URPFPARMTJTZMJ-CYBMUJFWSA-N 363.408 2.744 0 50 FFAA CCN(CC)CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12595266 IJHFPILUUZHISC-MRXNPFEDSA-N 365.905 2.537 0 50 FFAA O=c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c[nH]1 16361876 DOLLAWUAGVXNQD-UHFFFAOYSA-N 354.431 2.766 0 50 FFAA C[C@H]1CN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CCN1C 19225662 GJWCMXHKNWBWOB-LBPRGKRZSA-N 354.376 2.815 0 50 FFAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(Cl)ccc1C)C2 1857531686 BEOBXKDTDUTQCM-GDLCADMTSA-N 359.813 2.624 0 50 FFAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1ccc([C@@H](C)N(C)C)cc1 1857706189 DBYMPXBRAAEPOO-OAHLLOKOSA-N 353.470 2.968 0 50 FFAA COc1ccc(-c2nccn2CC[C@H]2CNCCO2)cc1CN1CCCC1 1857727431 QWKADNWREIRTFX-IBGZPJMESA-N 370.497 2.533 0 50 FFAA O=C(N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3)C1(c2ccccc2)CCCCC1 1857728650 KSBBYFOFXIPZPG-JZJXAQOMSA-N 355.478 2.887 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C(=O)O)c1ccccc1 236825994 UYKLCDQLPOXTSE-ICSRJNTNSA-N 364.401 2.893 0 50 FFAA O=C1C[C@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccccc1 13124677 LVJLMFNHFSOLJO-AWEZNQCLSA-N 367.386 2.866 0 50 FFAA Cc1cccc(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccn2)c1 248077542 HUOAPNOZVRPFQR-QUCCMNQESA-N 363.461 2.582 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccncc3)CC[C@@H]2N1CCc1ccccn1 248011110 VUNAZJDJXDLGTJ-QUCCMNQESA-N 350.466 2.532 0 50 FFAA Cn1cc([C@@]2(C)CN(C(=O)NCc3ccc(C4CC4)cc3)CCO2)cn1 252491867 LXWMOJNJEGMMJM-HXUWFJFHSA-N 354.454 2.755 0 50 FFAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@@H]1CCN(c2ccccc2F)C1 263420568 WTKNFKNTIZBJDB-HNNXBMFYSA-N 371.412 2.850 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2ccc(C)nc2)(c2ccccc2)CC1 847351445 UEBXXDIZDFHUBM-UHFFFAOYSA-N 363.461 2.753 0 50 FFAA COc1ccc(CCN2C(=O)O[C@](C)(c3cccnc3)[C@@]2(C)O)cc1OC 4709153 FEVQRAGSZFRIIT-WOJBJXKFSA-N 372.421 2.717 0 50 FFAA CCc1cn2c(n1)CC[C@@H](C(=O)Nc1ccc(C)cc1-c1nc[nH]n1)C2 2325780879 WDEFMFQPEMPZSF-CYBMUJFWSA-N 350.426 2.740 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CSc2cccc(C(=O)O)n2)cc1 632389 AIAXFVVYZYJPQU-UHFFFAOYSA-N 360.391 2.687 0 50 FFAA O=C(O)COC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 885246 YDCIZKWYNIMQJI-VYMRPNJYSA-N 354.358 2.512 0 50 FFAA CCN(C(=O)c1ccccc1O)c1c(C)n(C)n(-c2ccccc2)c1=O 1176710 WTNSMTHXHXQAJJ-UHFFFAOYSA-N 351.406 2.857 0 50 FFAA COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 1186129 VHVVFRCODXRRPW-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA CCOC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 2835322 CXNNLTVENNDMGU-NTMALXAHSA-N 354.156 2.969 0 50 FFAA Cc1cnnc(-c2ccc(C(=O)NC[C@H](O)c3cccc(O)c3)cc2)c1C 2356168969 QNXGQZRULAKVQX-IBGZPJMESA-N 363.417 2.929 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(F)cc3)C2=O)cc1 3864313 WAOZUKVCJJZWQH-SFHVURJKSA-N 356.397 2.689 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c(OC)c(OCC)c1 4852353 OFZHWUDSJMSGOY-CQSZACIVSA-N 368.817 2.938 0 50 FFAA CCC[C@@H](C)c1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 59759829 FJKZVCXNSQAHAQ-LLVKDONJSA-N 353.492 2.774 0 50 FFAA O=C(NC[C@@H](CO)[C@H]1CCOC1)c1c(-n2cccc2)sc2c1CCCC2 225485252 REMSSGKDLINBHH-GJZGRUSLSA-N 374.506 2.792 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)C2 67788784 CKXGOHUEGCBNQB-GOSISDBHSA-N 367.449 2.977 0 50 FFAA C[C@H](CC1CCCCC1)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 252496346 PHCAKMTVJDLKPK-OAHLLOKOSA-N 367.511 2.675 0 50 FFAA CCc1nn(C)c(OC)c1CNC(=O)N[C@@H]1CCOc2c(C)cccc21 252480047 BSWMWRLRVCBZOR-MRXNPFEDSA-N 358.442 2.623 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)CCc1nc2ccccc2s1)C(=O)O 67954623 MEFBWZWODYWTQV-MRXNPFEDSA-N 358.423 2.511 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ncccc3C)CC1)OCCCO2 67673116 JIEMLLYFLNXWRR-UHFFFAOYSA-N 369.465 2.882 0 50 FFAA CC(C)(C)c1nc(=NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s[nH]1 329232601 LJYYPPBDEOBLRQ-AWEZNQCLSA-N 360.483 2.733 0 50 FFAA Cc1cc2c(cc1S(=O)(=O)N[C@@H]1CCOc3c(C)cccc31)OCO2 330107604 MJYRGXITMGISIQ-CQSZACIVSA-N 361.419 2.834 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)no1 330884828 CNOQBYASMOAOKW-UHFFFAOYSA-N 359.401 2.596 0 50 FFAA O=C(NCCOCCOCCO)OCC1c2ccccc2-c2ccccc21 32099199 OKWGKDNHZKUFBX-UHFFFAOYSA-N 371.433 2.551 0 50 FFAA O=C(c1cccnc1-c1cc(NCCO)nc2[nH]ccc12)N1CCCCC1 72156832 XXLSOLYSHUACFD-UHFFFAOYSA-N 365.437 2.655 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCNC[C@H]1c1ccccc1 333224829 ASZFRCZLQDOZBS-IBGZPJMESA-N 351.450 2.843 0 50 FFAA COCCCN1C(=O)CC[C@H]2CN(Cc3cccc(F)c3F)CC[C@H]21 72474354 JFSRDNUJBMSUJP-WMLDXEAASA-N 352.425 2.814 0 50 FFAA CN1CCN(C[C@H]2CC[C@@H](Cc3ccc(CN4CCCC4)cc3)O2)CC1 72439547 WTRHIMQOVOLLAR-FCHUYYIVSA-N 357.542 2.620 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(Cc1cncn1C)CC2 215655695 LCKKKONDUGUPLR-OAQYLSRUSA-N 364.449 2.980 0 50 FFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)cc1 77459456 KDFFTFHIHOYDEB-OAHLLOKOSA-N 366.421 2.669 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCC([C@@H](O)C(F)(F)F)CC1 131468706 YEHWAJBRQAUWFN-GFCCVEGCSA-N 360.357 2.892 0 50 FFAA COCCc1noc([C@@H]2CCCN(Cc3c(C)nc4ccccn34)C2)n1 72144756 FWPIRQGFCJWGIX-OAHLLOKOSA-N 355.442 2.594 0 50 FFAA Cc1cc(C)n(CCCNC(=O)Nc2ccccc2CN2CCOCC2)n1 48147103 JSBHVPCABYSXNS-UHFFFAOYSA-N 371.485 2.544 0 50 FFAA Cc1cn2cc(C(=O)N3CCC[C@]4(C3)C(=O)N(C)c3ccccc34)ccc2n1 82126869 UHDKKUARTGFJJL-JOCHJYFZSA-N 374.444 2.793 0 50 FFAA CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCc3cccc(F)c3C2)C1 132393572 DLFYJOGQPYYMMW-INIZCTEOSA-N 361.461 2.788 0 50 FFAA Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 325034226 KHIJIYGIYOUACM-UHFFFAOYSA-N 361.301 2.997 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c2cnn(C(C)C)c2n1 263302447 ZVHCSVCISFJNSY-OAHLLOKOSA-N 356.426 2.648 0 50 FFAA O=C(CCCn1cncn1)N1CCC(c2nc(-c3ccccc3)no2)CC1 82086764 DWOTUWRJDCSGFS-UHFFFAOYSA-N 366.425 2.515 0 50 FFAA CCCc1nnc(S)n1CC(=O)N[C@H]1CCOC2(CCCCC2)C1 160556990 BRLAUPUBVBBBSX-ZDUSSCGKSA-N 352.504 2.517 0 50 FFAA COc1ccccc1CCCNc1cc([C@H]2C[C@@H](NC(C)=O)C2)ncn1 222720002 NXBOTVBFLZXIKP-QAQDUYKDSA-N 354.454 2.912 0 50 FFAA CC(C)Cc1cc(CNC(=O)N(C)Cc2nc(O)c3ccccc3n2)on1 426589997 PHFCLZJJFCBBJM-UHFFFAOYSA-N 369.425 2.864 0 50 FFAA CN1CCN(C[C@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 221376571 RWPJQZXEABYOTG-GOSISDBHSA-N 355.526 2.665 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(-n3nc(C)cc3C)cc1)CC2 426574666 DVFIYDRUHCVSIZ-SVFBPWRDSA-N 369.465 2.634 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 91664716 RQCGXJLULRPNQA-FQEVSTJZSA-N 371.437 2.810 0 50 FFAA COc1nc2c(cc1C(=O)N[C@@H](C)c1nc(-c3ccncc3)no1)CCC2 91964936 OUWNGENFONVGNM-NSHDSACASA-N 365.393 2.515 0 50 FFAA Cc1cc(-c2ccc(C(=O)N(C)Cc3cnccn3)cc2)nc(N(C)C)n1 426545499 WOBNAWVIGMKPFT-UHFFFAOYSA-N 362.437 2.580 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)CN1CCc1c[nH]cn1 91327050 QEIOAXFKOXGZSX-OAQYLSRUSA-N 372.513 2.764 0 50 FFAA CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2O)C[C@@H]1c1ccccc1 426369915 HTKJSYSHYQYDNM-QGZVFWFLSA-N 363.421 2.634 0 50 FFAA CCn1nc(CNC(=O)c2cnc(-c3ccncc3)nc2)c2ccccc21 95384040 GMGZFQXRXCXPRQ-UHFFFAOYSA-N 358.405 2.838 0 50 FFAA O=C(NC[C@H](CO)Cc1ccsc1)Nc1cccc(N2CCCC2=O)c1 96179861 QRPDFHFKJZOMAJ-OAHLLOKOSA-N 373.478 2.848 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCCO[C@@H](C)C2)c1 91713782 UYPKRBRNOGMZTL-AWEZNQCLSA-N 361.438 2.903 0 50 FFAA Cc1ccc(C[C@H](C)C(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1 181135171 DPLKWDRKFGHJOW-KRWDZBQOSA-N 365.477 2.990 0 50 FFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(F)cc13)C2 91416593 BUHGTUSILBLZFU-UKRRQHHQSA-N 357.429 2.614 0 50 FFAA CCN(C(=O)c1ccc(C)c(N2CCNC2=O)c1)[C@H]1CCOC(C)(C)C1 91326192 APLNRRHZHFAZKO-INIZCTEOSA-N 359.470 2.944 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cc(C)n(C)c3C)C[C@H]2C(=O)O)c1 91997854 UJNUYXPFMLWHQO-ZWKOTPCHSA-N 356.422 2.591 0 50 FFAA COc1ccccc1CN1CCN(C(=O)CC[C@@H]2CCCCN2C)CC1 95352264 ILBFRLYKGNOBKF-IBGZPJMESA-N 359.514 2.604 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCCO[C@H](CN2CCCC2)C1 91664763 MILXSXJMHNMQHW-MRXNPFEDSA-N 357.429 2.701 0 50 FFAA C[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1ccc(S(C)(=O)=O)cc1 91663652 KUUCRTPTPJGXSB-GFCCVEGCSA-N 374.437 2.922 0 50 FFAA COc1cccc(-c2ccccc2NC(=O)C2CCN(C(=O)CO)CC2)c1 95524967 BHYHIAOYEKBKAN-UHFFFAOYSA-N 368.433 2.532 0 50 FFAA C[C@@H](NC(=O)CN1CCC2(CCC(=O)N(C3CC3)C2)CC1)c1ccccc1 91694084 IOYDTFMPLLVGQJ-QGZVFWFLSA-N 369.509 2.731 0 50 FFAA Cc1cc(O)nc(S[C@@H](C)C(=O)NCCCc2nc3ccccc3[nH]2)n1 241081883 YRXMGBXCQAYYET-LBPRGKRZSA-N 371.466 2.597 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CCCC[C@@H]2c2ccccn2)cc1 244773917 PISDZHHTVRTNJG-HXUWFJFHSA-N 366.465 2.883 0 50 FFAA O=C(c1cccs1)N1CCN(Cc2cc(-c3ccncc3)no2)CC1 244763874 OWYNIHAUCOKJDY-UHFFFAOYSA-N 354.435 2.756 0 50 FFAA O=C(CN1CCC2(CC1)c1ccccc1C[C@@H]2O)Nc1ccc(F)cc1 244787807 QEBPCDFZGUOZMM-IBGZPJMESA-N 354.425 2.715 0 50 FFAA CCCCOc1ccccc1C(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244690871 IYKWSVBSTWKJFC-MBOZVWFJSA-N 360.498 2.734 0 50 FFAA C[C@]12C(=O)O[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC(=O)[C@@]5(C)[C@H]1[C@H]32 253596357 QKTJEGVAGWMOHM-SXUUDGOYSA-N 354.446 2.654 0 50 FFAA COc1cc(C(=O)N2CCC[C@H]2CN)ccc1OCc1csc(C)n1 299739513 POFAOCUVYCDNSR-HNNXBMFYSA-N 361.467 2.602 0 50 FFAA COc1cncc([C@@H](NC(=O)c2nc(C(C)C)cs2)[C@H]2C[C@H](O)C2)c1 252539144 NUBPSDHWYZYENC-RBOXIYTFSA-N 361.467 2.912 0 50 FFAA Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1 534587243 HQOHABHPBUMWCO-GFCCVEGCSA-N 350.426 2.673 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(Cc2ccnc4ccccc24)C3)nc1 299767446 LGBRBOJIKBBWIE-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cccnc1N)CC2 299797172 PRMMZJFQDLZCRS-ABSDTBQOSA-N 354.454 2.650 0 50 FFAA CC(C)=CCN1CCC2(CC[C@@H](CNC(=O)Cc3cc(C)no3)O2)CC1 299777052 NOMJHVNWFPYEOX-KRWDZBQOSA-N 361.486 2.622 0 50 FFAA Cc1cc(NC(=O)NCCN2CCC[C@@H](CO)C2)n(C2CCCCC2)n1 299775140 HTRSJEUMMJRYCD-MRXNPFEDSA-N 363.506 2.523 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCn1ccnc1C)O2 299773041 CZCAOODDBCQIBP-HXUWFJFHSA-N 357.454 2.722 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)N1CCC(F)(F)CC1 828925284 PRZXKTSTURHTLY-HNNXBMFYSA-N 353.413 2.797 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(Cc2cccs2)C1 828013019 JSYPLLFFYBJVJF-MRXNPFEDSA-N 363.527 2.621 0 50 FFAA CN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)Cc1cccnc1 828034870 WYVJGVVPYPUCRF-WOJBJXKFSA-N 353.466 2.768 0 50 FFAA CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1CC(=O)OC12CCCC2 828244514 IJDDLFBBHWVHRC-KRWDZBQOSA-N 367.449 2.766 0 50 FFAA COc1ccccc1OC1CN(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)C1 670451416 QCXWDUVJBNUHLL-INIZCTEOSA-N 373.497 2.732 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCN(c2ccccn2)C1 670471246 YUJWHEHPPKONOD-OAHLLOKOSA-N 353.470 2.606 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c1 867670077 WRLFKJGRSHITKJ-ZDUSSCGKSA-N 353.426 2.743 0 50 FFAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H]2C[C@@H](C(=O)O)CC[C@H]2C1 1875304712 RNYUJUGUACISHI-AGIUHOORSA-N 373.375 2.717 0 50 FFAA NC(=O)CC1(CNC(=O)c2cc(C(F)(F)F)nn2C2CC2)CCCCC1 1875310792 CQHZRMIURLWGDJ-UHFFFAOYSA-N 372.391 2.793 0 50 FFAA COCc1nc([C@H]2CN(C(=O)c3occc3C(C)C)C[C@@H]2C2CC2)n[nH]1 952848320 KLXKRIMXUXUZHA-CABCVRRESA-N 358.442 2.933 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)cc(O)n1 952849611 XXVCBAJWTOBDEO-CABCVRRESA-N 355.442 2.603 0 50 FFAA O=C([C@H]1CC(c2ccncc2)=NO1)N1CC[C@H](C(F)(F)F)C(F)(F)C1 1875396496 JTJRREKGWMAPGD-NEPJUHHUSA-N 363.286 2.621 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCN(C)C)Cc3ccccc3F)n[nH]c21 1875394420 IJTREDCCQDKOIN-KGLIPLIRSA-N 374.460 2.775 0 50 FFAA CC(C)n1cncc1C(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC1(C)C)C2 1875407213 VEDLMECQSBQUOW-JJXSEGSLSA-N 358.486 2.619 0 50 FFAA CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N(C)C)c1C 952968671 PHJPTWCFZIESKC-SJORKVTESA-N 373.497 2.968 0 50 FFAA Cc1cc(F)ccc1N1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1 952972526 VXHOGQGLMZSJKU-IBGZPJMESA-N 355.457 2.789 0 50 FFAA Cc1cnc([C@@H](C)NS(=O)(=O)c2c(Cl)nc3ccccn23)s1 170654414 LNFZEVBNGMWFRE-SECBINFHSA-N 356.860 2.792 0 50 FFAA CCCCOc1ccc(C(=O)N2CC[C@@H](OCCOC)C2)cc1OC 170602384 DFGIATSALZZQIB-MRXNPFEDSA-N 351.443 2.752 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1nnc(C(C)C)o1 1073302335 ZYCXWAKMGRDNBZ-CVEARBPZSA-N 359.474 2.894 0 50 FFAA Cc1oc2c(c1C(=O)Nc1ccnn1C1CCN(C)CC1)C(=O)CCC2 1529150693 AAJFYCIXCWXAJY-UHFFFAOYSA-N 356.426 2.823 0 50 FFAA CN(C(=O)c1cnc(Nc2ccccc2)nc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529162089 VAMWBHYJMOQIOK-MHGIMSBQSA-N 352.438 2.842 0 50 FFAA COc1cc(Cl)cc(CN(CCO)Cc2ncc[nH]2)c1OC(C)C 1704325624 RABGZXXNRGNSLF-UHFFFAOYSA-N 353.850 2.853 0 50 FFAA C[C@@H](NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1)C(F)(F)F 1704336628 ZTGYQYIEUXNKOD-LLVKDONJSA-N 369.343 2.859 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772710547 XMADLERSHIWULY-YWZLYKJASA-N 357.404 2.654 0 50 FFAA Cc1nc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ncccn4)c3O2)cs1 12030238 GJKIVPAORVWHSH-ZDUSSCGKSA-N 370.409 2.781 0 50 FFAA COC(=O)CCCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12074487 AJABEVWVWXDGNY-OAHLLOKOSA-N 373.371 2.819 0 50 FFAA O=C(COc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 12138303 GLFLUANDZHTHKV-SFHVURJKSA-N 354.406 2.613 0 50 FFAA COc1ccc2ccccc2c1CNC(=O)c1cn(C[C@@H]2CCCO2)nn1 12314156 MUZQJDTZXUAWOP-HNNXBMFYSA-N 366.421 2.549 0 50 FFAA O=S(=O)(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1cccs1 14976025 OQPALLHVPFCFCJ-HNNXBMFYSA-N 372.475 2.956 0 50 FFAA CC[C@@H](C)[C@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525744 XESGNVSDTAZXDO-CXAGYDPISA-N 367.457 2.543 0 50 FFAA CC(C)=CCN1CC[C@@H](O)[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 1857693312 RAJLLNNPUXFNSC-UYAOXDASSA-N 362.539 2.932 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@H]2CCn3nccc3C2)s1 1857710966 DSYIGZQQCIQNRO-ZDUSSCGKSA-N 368.462 2.894 0 50 FFAA Cc1sc2ncnc(N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)c2c1C 1875244022 IZGOMIKWUUJNRB-NRTGNBEESA-N 358.511 2.854 0 50 FFAA O=C(NCc1cc[nH]n1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1875249683 PKCBTOMBVGBRDR-NSHDSACASA-N 359.817 2.737 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3csc(-c4ccccc4)n3)C[C@@H]2O)on1 1875244008 IGIPXMDJJCMXFW-PBHICJAKSA-N 369.446 2.782 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)n(C)n1 110982314 CDVIINVGVPJQJP-HNNXBMFYSA-N 364.852 2.915 0 50 FFAA CCc1cnccc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328633340 SNARQESORBKGHX-LLVKDONJSA-N 352.360 2.852 0 50 FFAA C[C@H](C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 333964952 PMVGCLDXWGSDKQ-NHYWBVRUSA-N 361.916 2.932 0 50 FFAA CC(C)N1C[C@H](C)[C@H](NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 247290571 KTWYUEOSYVOJKO-XHDPSFHLSA-N 372.296 2.568 0 50 FFAA COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)o2)ccc1F 252536346 IFKWWQMUXPNKKG-UHFFFAOYSA-N 365.386 2.781 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@@H](c3ccnn3C)C2)c1OC 367189212 YFANDQOOCNOGQW-OAHLLOKOSA-N 358.442 2.527 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2 901495372 DQWSSQJOZBPUNG-QZTJIDSGSA-N 356.466 2.754 0 50 FFAA O=C(C=C(C1CC1)C1CC1)N1CCC[C@@](O)(Cc2nc(C3CC3)no2)C1 818493750 KNABKQUBHZRAEA-HXUWFJFHSA-N 357.454 2.589 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCCc2ccnc(O)c21 823774637 MBGHMWLLJYLJIL-SFHVURJKSA-N 365.433 2.602 0 50 FFAA CCCS(=O)(=O)N1CCC(N[C@@H](C)c2ccc(C(F)F)nc2)CC1 850422788 CRGJMVPEJPJFCC-LBPRGKRZSA-N 361.458 2.874 0 50 FFAA CN(C)CC(C)(C)C1CCN(C(=O)c2cc(O)nc3c2CCCN3)CC1 2325780053 DKVAOXZEWZMEIA-UHFFFAOYSA-N 360.502 2.585 0 50 FFAA NCc1cccc2c1CCCN2C(=O)C[C@@H](c1ccccc1)n1ccnn1 2325787594 JTBAZBHVTSWAKN-FQEVSTJZSA-N 361.449 2.696 0 50 FFAA Cc1nc(-c2ncc[nH]2)sc1C(=O)N(C)[C@@H]1CCN(c2ccncc2)C1 2325798232 YBTVEKZBDKDMKS-CQSZACIVSA-N 368.466 2.588 0 50 FFAA Cc1c(F)cccc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325843152 XCEPKZSDNBVVHD-CYBMUJFWSA-N 358.417 2.625 0 50 FFAA COCCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1=O 2325867504 YCCWEKCXFBWUKH-UHFFFAOYSA-N 351.406 2.661 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 2548631 KBMFCCUHTQGEDB-HNNXBMFYSA-N 370.877 2.632 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1=O 2356136137 HXUQYEJXANVGJQ-OAQYLSRUSA-N 366.465 2.878 0 50 FFAA CN(C)C[C@H]1[C@@H]2CN(c3noc(-c4ccc(Cl)cc4)c3C(=O)O)C[C@H]12 2356155668 MDXFLUNEYBOAAL-ZSOGYDGISA-N 361.829 2.937 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 6741068 JCPCOLWZLFRBDB-CHWSQXEVSA-N 362.451 2.980 0 50 FFAA Cc1ccc(C(=O)NC(=S)N[C@@H](C)C(=O)OCc2ccccc2)cc1 6845031 WFYPRFIRMPZZTI-AWEZNQCLSA-N 356.447 2.731 0 50 FFAA Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 225629756 KKDQBBYRXTVNTG-UHFFFAOYSA-N 361.405 2.874 0 50 FFAA CCCCCn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21 100329684 WLGHURCUEMTQNY-UHFFFAOYSA-N 352.394 2.940 0 50 FFAA O=C(NC[C@H](O)c1ccccc1)c1coc(Cn2cnc3ccccc32)n1 67725534 POPMMFQLFQFION-SFHVURJKSA-N 362.389 2.536 0 50 FFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nn1C 55199927 QHSKJYHZBGXBLC-GOSISDBHSA-N 364.449 2.895 0 50 FFAA COc1cc(/C=C/CN2CCN(c3ccnc(SC)n3)CC2)ccc1O 65394432 KXUWVBMCNIWLIP-ONEGZZNKSA-N 372.494 2.748 0 50 FFAA COC[C@@H]1CCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)C1 20537139 ODSYQMBKRFHNTJ-MRXNPFEDSA-N 372.469 2.522 0 50 FFAA CCN1CC[C@H](N2CCN([C@@H]3CCc4ccccc4C3)CC2)CCC1=O 23358266 XXCSSSMALOSUMJ-NHCUHLMSSA-N 355.526 2.563 0 50 FFAA CC(C)O[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1O 65533901 DYRKCQGRDSKJDJ-PMACEKPBSA-N 354.450 2.909 0 50 FFAA CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)C1 1506419968 OHHDXLGGOUBSLK-QGZVFWFLSA-N 366.527 2.890 0 50 FFAA CCOc1ccccc1CN1CCN(C2CCSCC2)C[C@@H]1CCO 20455865 OGXSSDGXZVYKAC-IBGZPJMESA-N 364.555 2.850 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 121201972 VCUWSXYYKJXOQT-KNKQGSTJSA-N 370.493 2.640 0 50 FFAA O=C1OCCN1c1ccc(S(=O)(=O)NCc2cc3ccccc3[nH]2)cc1 121377371 ICPFYTBNBKJJKV-UHFFFAOYSA-N 371.418 2.603 0 50 FFAA Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)Cn1c(C)cc(O)cc1=O 252507366 WJJPDVZXZAXEPH-HNNXBMFYSA-N 366.421 2.615 0 50 FFAA COCc1ccc(C(=O)N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)s1 72406847 IOXUZJLTRLXWLK-OKILXGFUSA-N 352.500 2.608 0 50 FFAA CCOc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 72171245 GKWSMAAONFRQCT-UXHICEINSA-N 366.461 2.552 0 50 FFAA O=C1C(=O)N(Cc2cccc(Cl)c2)C(=O)N1CCOc1ccccc1 4042259 VPRAOZOUPFTKRY-UHFFFAOYSA-N 358.781 2.710 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCCN(Cc2ccccc2)C1 328627887 GSENDGMKYVMISC-AABGKKOBSA-N 354.498 2.894 0 50 FFAA CO[C@]1(C)CCCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)C1 439988553 NQPLZGWFIUUSNG-QGZVFWFLSA-N 366.849 2.902 0 50 FFAA CN(C)c1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)cc1 71748550 GPKPBQXXFFZONQ-UHFFFAOYSA-N 360.435 2.559 0 50 FFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CCC(=O)N(C)C)c1 12025536 YKPIJBIIUMUGAH-SFHVURJKSA-N 368.481 2.851 0 50 FFAA O=S(=O)(CCOc1ccc(F)cc1)N1CCC[C@@H]1c1ccccn1 72133276 NOWCCOMXTPWMTD-QGZVFWFLSA-N 350.415 2.766 0 50 FFAA CN1CCc2ncnc(N3CCC([C@H](O)c4ccc(F)cc4)CC3)c2C1 364845454 WWWISBZTOTUFPI-LJQANCHMSA-N 356.445 2.554 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](NC(=O)C3=CCCCCC3)C2=O)c1 154044123 UXWJQDUGUVPASH-GOSISDBHSA-N 358.438 2.816 0 50 FFAA c1ccc([C@H](NCc2nnnn2CC2CCOCC2)C2CCCC2)nc1 365637135 SXPJBJSRBKVGBZ-LJQANCHMSA-N 356.474 2.516 0 50 FFAA Cc1noc([C@H]2COCCN2C(=O)CCCc2c[nH]c3ccccc23)n1 155556638 HUIHFNZCPSGZCA-QGZVFWFLSA-N 354.410 2.782 0 50 FFAA CC(C)Nc1ncc(CN2CCCC23CCN(c2ncccn2)CC3)cn1 72436089 PFWIAZGFIURXJB-UHFFFAOYSA-N 367.501 2.722 0 50 FFAA c1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ccn1 72145549 BLJVBYYSCMRZQZ-STZQEDGTSA-N 363.461 2.873 0 50 FFAA Cc1cccc(NC2CCN(C[C@H](O)COc3ccccc3F)CC2)n1 368569385 MFABMFNUOHRCGV-KRWDZBQOSA-N 359.445 2.845 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 333803150 DTJXPEZXBYWGMJ-QMCVQRASSA-N 373.501 2.980 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 490916204 WKEVZNXULKSQNH-SNVBAGLBSA-N 356.323 2.993 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)Nc3cccnc3OCC(F)F)cc2=O)cc1 129318928 CLOMNIJUAKCQMN-UHFFFAOYSA-N 374.347 2.765 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC2CCN(C3CCOCC3)CC2)c1 72427125 GNBVRTIDRZQILF-UHFFFAOYSA-N 374.525 2.763 0 50 FFAA CCc1cc(N2CCC(Oc3cccnc3C)(C(=O)O)CC2)nc(C)n1 72447888 XMZXJJUUABDGJX-UHFFFAOYSA-N 356.426 2.553 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2c2ccccn2)n(C)n1 77322744 ZDIFPMIHBDUTLC-QGZVFWFLSA-N 364.453 2.810 0 50 FFAA CC(C)c1cc(C(F)(F)F)nc(N2CCN(Cc3cnn(C)c3)CC2)n1 72148332 XHWNGWJJQCEBEI-UHFFFAOYSA-N 368.407 2.675 0 50 FFAA CN(C)CCOc1ccccc1C(=O)N1CC[C@@H](O)c2ccccc2C1 378520414 LLFUSKLMSUIPBM-LJQANCHMSA-N 354.450 2.707 0 50 FFAA CN(Cc1nnc[nH]1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 284738569 STKKNHFSELSCSA-UHFFFAOYSA-N 365.484 2.533 0 50 FFAA C[C@H]1C[C@H](NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)C[C@@H](C)O1 239366878 AGMHFLNUWHWRCI-WRWGMCAJSA-N 366.512 2.929 0 50 FFAA NC(=O)c1cncc(N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)n1 71707969 HMIABQSWQKAADS-QGZVFWFLSA-N 360.417 2.828 0 50 FFAA COc1cc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)cc(OC)c1OC 48101491 FSUXAYASILMKJA-UHFFFAOYSA-N 365.393 2.896 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc3[nH]cnc3c2)CC1=O 40285361 MRBVRSDHRZIDRT-LBPRGKRZSA-N 350.378 2.563 0 50 FFAA CCCN1CCCn2nc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2C1 82137580 VWSJMCXMPOESLP-UHFFFAOYSA-N 370.472 2.986 0 50 FFAA COc1cncc(-c2cccc(C(=O)N(C)C[C@@H](C)N3CCOCC3)c2)c1 426549066 GFAFATBQANMYAX-MRXNPFEDSA-N 369.465 2.550 0 50 FFAA COc1cccc(OC)c1CNC(=O)N(C)Cc1n[nH]c2c1CCCC2 426477879 IFQLHXQLJNQELL-UHFFFAOYSA-N 358.442 2.647 0 50 FFAA O=C(c1nc2ccccc2[nH]1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 426414781 UCJABWJYTCCUJQ-GOSISDBHSA-N 360.461 2.878 0 50 FFAA Cc1ccc2c(c1)C[C@H](C(=O)NCc1noc(-c3c(F)cccc3F)n1)N2 223847533 NRIVLSPOMDMCHR-OAHLLOKOSA-N 370.359 2.976 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cc2ccccc2[nH]1 223845184 YFMNLFALOIRVPQ-SJORKVTESA-N 357.435 2.729 0 50 FFAA CN(C)[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1 426411523 QJAQDUOXKONUDK-KRWDZBQOSA-N 362.493 2.920 0 50 FFAA Clc1cnn(CCN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c1 92021706 MQCSBRFAMRGHCZ-XJKSGUPXSA-N 351.907 2.589 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCn1nccc1C1CC1)CO2 91321266 MSKGZSHBTJMKBI-INIZCTEOSA-N 355.438 2.527 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95365515 WVZGBLHHJMPECI-INIZCTEOSA-N 365.412 2.880 0 50 FFAA COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)cc1 334160287 ACVOAOLTYDAYPJ-UHFFFAOYSA-N 358.379 2.582 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(CCCn1cccn1)CC2 426491596 WJNZMKZMMIDJAB-CMKODMSKSA-N 356.470 2.759 0 50 FFAA CCCOc1ccc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1Cl 426395089 AEMAPOJYOXHUIG-UHFFFAOYSA-N 363.849 2.849 0 50 FFAA CCNc1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 92001638 OYPUDAXUTLQSNT-KRWDZBQOSA-N 363.469 2.932 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1cccc(Cl)c1F 95518713 HGGFPOFFYMQSQP-JTQLQIEISA-N 355.801 2.990 0 50 FFAA CCc1ccc(CN(C)C(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)nc1 91747059 YQDLEIAFVDVNDY-QGZVFWFLSA-N 353.422 2.737 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)Cc3ccc(CO)cc3)C2)cc1 95378223 KOOCQZVMZWAQKB-IBGZPJMESA-N 353.418 2.826 0 50 FFAA OCC[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1C1CCCC1 22913665 SDXVWIGIIIFEEG-QGZVFWFLSA-N 364.559 2.555 0 50 FFAA COCc1cccc([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95388444 BWFMKNZQYZOSHP-IBGZPJMESA-N 355.434 2.942 0 50 FFAA C[C@H](C(=O)O)N1CC2(CCC1=O)CCN(C/C=C/c1ccccc1)CC2 91526373 CWXMDGBBTPNGCE-ZGRWHYIRSA-N 356.466 2.878 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 239121150 JJPOBFQKVTVHJJ-JEWRLFTDSA-N 361.825 2.970 0 50 FFAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1sc2cccc(F)c2c1Cl 91327133 RTOPRDFXNFRJNT-QMMMGPOBSA-N 361.847 2.858 0 50 FFAA CCN(C)Cc1cccc(CNC(=O)c2ccnn2CC(F)(F)F)c1 294568922 PAJIYOANXLGQFN-UHFFFAOYSA-N 354.376 2.827 0 50 FFAA COc1ccc(/C=C/CN2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)cc1 91676819 GCVROJHHDYZZPO-TWKPZUECSA-N 374.525 2.504 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccccn2)Cc2ccccc2-n2cccn2)N1 243892623 AJSMKSVQOFXWAT-IBGZPJMESA-N 361.449 2.548 0 50 FFAA O=C1NCCN(Cc2cc3ccccc3[nH]c2=O)[C@@H]1c1ccccc1Cl 183506969 MTGTWFQRBOWTIE-GOSISDBHSA-N 367.836 2.855 0 50 FFAA Cc1cccc(SC2CCN(C(=O)CCN3CCN(C)CC3)CC2)c1 299799333 QUMMKBYZIFCFTG-UHFFFAOYSA-N 361.555 2.716 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)c1cc(=O)n(-c2ccccc2)[nH]1 299778111 OMCATKFWTPEGKN-UHFFFAOYSA-N 367.409 2.526 0 50 FFAA CN(C)c1ccc(C(=O)NCCCN2CCC[C@H](CO)C2)c2ccccc12 299800262 VLLVCAMTKFPOQY-KRWDZBQOSA-N 369.509 2.730 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)C1 1875370986 KMAYDVGIVFFQNV-OCCSQVGLSA-N 362.857 2.877 0 50 FFAA COCc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)cc1F 1875314558 FUIZSMZXKBKUMO-NEPJUHHUSA-N 361.417 2.658 0 50 FFAA Cc1c(C(=O)N=[S@]2(=O)CCC[C@@]3(CCCN3)C2)cnn1CCC(C)C 1875393158 HZLFUXPNGICOKY-BVZFJXPGSA-N 366.531 2.762 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1ccc(-c2ccccc2)cn1 1875403425 WSXZXOFURHOMQA-CDHQVMDDSA-N 362.433 2.515 0 50 FFAA Cc1cnccc1N1CCCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 952976168 YZAAIXFEAHEKGW-UHFFFAOYSA-N 363.458 2.571 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)c1ccccc1N1CCOCC1 952974544 ZNTPNLNTEFKTPU-UHFFFAOYSA-N 372.440 2.951 0 50 FFAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1ccccc1N1CCOCC1 952988744 OTSHKIWRPLMRRZ-GOSISDBHSA-N 371.525 2.908 0 50 FFAA C[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCS(=O)(=O)C1 191853191 AGFAMQCVMZNLJV-INIZCTEOSA-N 357.475 2.712 0 50 FFAA Nc1nc(NC[C@H](c2ccccc2)N2CCCCCC2)c2ncnc-2[nH]1 1529111402 XGVOBIUOMPEMQR-OAHLLOKOSA-N 351.458 2.916 0 50 FFAA COc1ccc(CC(=O)N2CCC(Cc3ccc(O)nc3)CC2)c(OC)c1 1772812998 SQIAUIQFIPFXHI-UHFFFAOYSA-N 370.449 2.828 0 50 FFAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1 5050986 LIDWCBXJROJUDC-UHFFFAOYSA-N 358.891 2.504 0 50 FFAA COCCN(C)C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C 11790897 XVBGDCKLHYYUJE-UHFFFAOYSA-N 371.466 2.725 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@H](CCc2ccccc2)C1 11932831 DIGJTODWFQODKH-HXUWFJFHSA-N 362.433 2.741 0 50 FFAA Cc1cc(OCc2cc(C(=O)N3CC[C@H](O)C3)no2)cc(C)c1Cl 12465386 LSOILKTULWYQEO-LBPRGKRZSA-N 350.802 2.731 0 50 FFAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)C(C)C)CC1=O 14748709 JLASXFYWBKARNW-SFHVURJKSA-N 364.461 2.694 0 50 FFAA Cc1c(NC(=O)CN2CCC[C@H](COc3ccccc3F)C2)cnn1C 19658915 GTYWIXVMHGBULE-HNNXBMFYSA-N 360.433 2.597 0 50 FFAA Cc1sc(NC(=O)CN2CCOCC2)c(C(=O)c2ccccc2)c1C 19788248 CZVNOJREYDRWSC-UHFFFAOYSA-N 358.463 2.867 0 50 FFAA c1ccc(-n2cc(-c3ccnc(NCCSc4cnn[nH]4)n3)cn2)cc1 19939395 RBUZPRACHVCMGE-UHFFFAOYSA-N 364.438 2.652 0 50 FFAA O=C1OC[C@@]2(Cc3ccccc3)CN(CCOc3ccc(F)cc3)CCN12 1857684224 DPLZTILKBCHBGB-OAQYLSRUSA-N 370.424 2.954 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@@H]([C@@H](C)N)C1 247126199 NBWWRZWJCOEFLI-FRRDWIJNSA-N 355.276 2.802 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 216408044 MKBWOBSVIXLJMK-HIFRSBDPSA-N 367.478 2.756 0 50 FFAA O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1cnc(-c2ccccc2)n1 122103894 VIZLAYZQQBILIF-SJORKVTESA-N 352.438 2.695 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CC2(OC)CCC2)cc1 252494585 NZCDEJNTSSNQIE-UHFFFAOYSA-N 354.472 2.615 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 363405912 UPACZLZVVYCCPQ-INIZCTEOSA-N 360.797 2.650 0 50 FFAA Cc1ccccc1CCNC(=O)[C@H](C)Nc1cnn(C[C@H]2CCCO2)c1 364003784 PBHVIBWDQLKFEV-QFBILLFUSA-N 356.470 2.530 0 50 FFAA C[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1cnn(C)c1 266763666 HPTKVBBSUPJXSQ-BBRMVZONSA-N 356.426 2.799 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(Cl)c1 926152853 LXFAWSHCVHBHTI-MTNOOBJLSA-N 350.890 2.858 0 50 FFAA Cc1ccc2n1CCN(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)[C@H]2C 1425243 CEGVWIFRXTXAPR-HNNXBMFYSA-N 373.478 2.689 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C3CC4(C3)C[C@@H](N)CCO4)cc2)c1C 2325795770 XSSBMQZOSLWJPK-NGEICVOHSA-N 354.454 2.714 0 50 FFAA O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 812651 NPLJUOZEAUITGO-UHFFFAOYSA-N 364.371 2.861 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 1125940 NJVOIGUPEUZWCM-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CC(c2cccc(Br)c2)=NO1 1126290 QKBPXVLWZNBYKD-OAHLLOKOSA-N 360.211 2.654 0 50 FFAA COc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 1187073 VCQSFHMHEBJDMF-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CC(=O)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F 1195118 GDUYVVHTHBFVGI-LLVKDONJSA-N 351.122 2.656 0 50 FFAA CCCCc1ncc(CN2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)[nH]1 2356157930 SNIPEHIYWYHXAN-WIYYLYMNSA-N 371.481 2.633 0 50 FFAA CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccncc1 6746330 YUJLYXIMEBVKJB-JTQLQIEISA-N 360.468 2.936 0 50 FFAA CC1(C)CC(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC(C)(C)N1 8130452 LZWOAEWKCFZUOW-DJJJIMSYSA-N 370.559 2.610 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 55060405 XIUFYAYLXMLALI-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA CN1CCC(n2nccc2NC(=O)Cn2ccc(-c3ccccc3)n2)CC1 20536877 DAPPBKGNNMBXQO-UHFFFAOYSA-N 364.453 2.652 0 50 FFAA Cc1cc2[nH]cc(C(=O)N(Cc3cccnc3)C3CCCCC3)c(=O)n2n1 102689020 IRMCQYJEPSMYMP-UHFFFAOYSA-N 365.437 2.701 0 50 FFAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1cnc(-c2ccccn2)nc1 55183126 FPPXQXJEJGBHKL-MRXNPFEDSA-N 362.433 2.809 0 50 FFAA CCn1nnc2cc(C(=O)N3CCC[C@H](N4[C@H](C)CC[C@H]4C)C3)ccc21 249692012 MHIAXCIHDDJSAE-INMHGKMJSA-N 355.486 2.929 0 50 FFAA Cc1oc(C(=O)NCC2(C3CC3)CCC2)cc1S(=O)(=O)N1CCCC1 119616725 KBQNOAODADLIII-UHFFFAOYSA-N 366.483 2.683 0 50 FFAA O=C(Nc1ccc2nccnc2c1)c1cccc(CN2CCC[C@@H](O)C2)c1 65409033 LOIZPDVEQKIGNJ-GOSISDBHSA-N 362.433 2.839 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)n[nH]1 22914049 YGZGHDNTQKDOPP-IBGZPJMESA-N 362.543 2.739 0 50 FFAA COc1cccc2c1CC[C@H]2NC(=O)c1ccc2c(c1)NC(=O)CCN2C 122295799 NMKOOOBHWQWFDL-MRXNPFEDSA-N 365.433 2.891 0 50 FFAA C=CC(=O)NCCNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 172219504 JHSZAAOXVXLHPE-UHFFFAOYSA-N 368.359 2.668 0 50 FFAA NC1(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 67712861 PRPDECIPEWXUCW-UHFFFAOYSA-N 358.825 2.925 0 50 FFAA CC(C)NC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2c2ncon2)c1 122691030 RKHCIUPZEMNGDM-HNNXBMFYSA-N 357.414 2.967 0 50 FFAA CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)c2c(=O)[nH]c(O)nc2n1 151544689 QDDYFTRDGXDUMN-CYBMUJFWSA-N 366.421 2.773 0 50 FFAA CCn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2F)c1 2802646 WNCSXINRQFUFMF-UHFFFAOYSA-N 358.446 2.774 0 50 FFAA CC(C)Oc1ccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 31293187 LAIWCWRUOSXJII-KRWDZBQOSA-N 358.482 2.924 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)N[C@@H](Cc1ccncc1)C1CC(O)C1 219939598 CCOLIDGTYLLESV-PVARCSIZSA-N 362.832 2.915 0 50 FFAA Cc1nc(CN2CCC[C@@H](NCc3c[nH]nc3-c3ccccc3)C2)no1 369270274 LICATAYOGVZAMF-QGZVFWFLSA-N 352.442 2.522 0 50 FFAA CC[C@H]1CN(c2cc(COC)ncn2)CCC(=O)N1Cc1ccccc1 71748535 WOGOQPVIHUTJKX-SFHVURJKSA-N 354.454 2.641 0 50 FFAA C[C@@H](c1cccnc1)N(C)Cc1cccc(OCCN2CCOCC2)c1 215516304 XJFXTRUTRQARHJ-SFHVURJKSA-N 355.482 2.986 0 50 FFAA O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC2(CC1)C1CC3CC(C1)CC2C3 372776020 MUMZQPHPNLQOHM-CZVCLPBNSA-N 365.539 2.876 0 50 FFAA CCOCCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 72132947 ZDJGXNCJBZWCRN-SFHVURJKSA-N 364.461 2.838 0 50 FFAA C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCN(c2ccccc2)C1 239637141 BJBXIHWOBUZJQH-CEXWTWQISA-N 358.530 2.933 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(c2ncccc2F)CC1 77470508 IAFIRPKOLVBYKI-UHFFFAOYSA-N 358.465 2.719 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@H](O)c3cccc(Cl)c3)CC2=O)cc1 82115282 NBWLDHGZAOBOAC-GOSISDBHSA-N 358.825 2.557 0 50 FFAA O=C(c1ncccc1OCc1ccncc1)N1CCC(NCC2CC2)CC1 178180759 FZEMVCOKFXQYRB-UHFFFAOYSA-N 366.465 2.660 0 50 FFAA COc1cccc(SCC(=O)NCCSc2nnc(C)s2)c1 222931599 IBYOFFVCYHUZJI-UHFFFAOYSA-N 355.510 2.856 0 50 FFAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1scc2c1OCCO2 82106937 UBBCAHHWLBARAD-ZDUSSCGKSA-N 361.467 2.880 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1 426408902 HCOKBLAOXLKWDR-IBGZPJMESA-N 355.438 2.981 0 50 FFAA O=C(O)C1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 238033413 IDXLWKOVZCEAMX-UHFFFAOYSA-N 351.200 2.867 0 50 FFAA COc1cccc(OC)c1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 92108028 WJHALWURVAOJKN-LSDHHAIUSA-N 373.380 2.783 0 50 FFAA O=C(NCCCN1CCCc2ccccc21)NC[C@@H](O)c1cccc(O)c1 426578611 NWORAGCDMNJEBQ-HXUWFJFHSA-N 369.465 2.568 0 50 FFAA Cc1ccc(CN2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 22752482 YTVMQCMXPWRVTH-UHFFFAOYSA-N 358.873 2.800 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cnc(-c2cccnc2)nc1 95361761 XZIMUCOLWKKJBW-UHFFFAOYSA-N 366.425 2.782 0 50 FFAA Cc1nccn1CC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 91907200 XMEDYHVZPAKPCP-GOSISDBHSA-N 372.513 2.611 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1c(C)nc3ccccn13)C2 91690980 PEHGSUZUPQPILJ-MRXNPFEDSA-N 365.433 2.861 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)NCc1nc(-c2ccc(F)cc2)cs1 91663815 MGLGPIMQECEXKR-MRXNPFEDSA-N 359.430 2.605 0 50 FFAA Cc1cc([C@H]2CCCCN2Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)no1 91846685 URKRDAWGYXLOBJ-GOSISDBHSA-N 366.421 2.651 0 50 FFAA O=C1C[C@H](C(=O)N2CCC(c3nccn3CC3CC3)CC2)C2(CCCC2)O1 95387014 GHMBXSPLGYBAOO-QGZVFWFLSA-N 371.481 2.875 0 50 FFAA Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(C(=O)O)c3)CC2)s1 237625052 BIKJCXUPZATKIM-UHFFFAOYSA-N 372.446 2.789 0 50 FFAA N[C@@H]1CCN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1 95388666 APIXIFOBVWTRRL-OAQYLSRUSA-N 363.505 2.780 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)c1C 91997954 FXGKBQDLXFEWDW-IEBWSBKVSA-N 367.497 2.733 0 50 FFAA CC[C@H](C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91351247 ZWRFTUSXEOGBLU-KRWDZBQOSA-N 372.513 2.837 0 50 FFAA COc1cccc([C@H]2CN(c3ccc(C)nn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95361531 NBSARXXNMFMKLC-HMXCVIKNSA-N 350.466 2.860 0 50 FFAA Cn1c(CNCC2(c3ccccc3F)CCCC2)nnc1[C@H]1C[C@H](N)C1 244735047 NSEKGCFQQJFPJR-SHTZXODSSA-N 357.477 2.761 0 50 FFAA COCCn1ccc2c(OCC(=O)Nc3cccnc3OC)cccc21 263587274 FCICKPDGSGBEHY-UHFFFAOYSA-N 355.394 2.709 0 50 FFAA CCOC(=O)c1coc(-c2ccc(NC(=O)N3CC[C@@H](N(C)C)C3)cc2)n1 299758102 BTTVRHLVNFVMQO-OAHLLOKOSA-N 372.425 2.686 0 50 FFAA CCc1nc(C)c(C(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)o1 299790369 BEDHPEOVWZUKDU-UHFFFAOYSA-N 360.439 2.845 0 50 FFAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1CC(c1ccccc1)c1ccccc1 299758423 KUHHKZSJSGAHFP-CTNGQTDRSA-N 351.494 2.745 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)N(C)Cc2cc(C)cc(C)n2)c1 299783115 XRETWFQOMIGIQL-UHFFFAOYSA-N 356.426 2.731 0 50 FFAA CCn1cc(CN(CCOC)C(=O)Nc2ccc(Cl)nc2C)cn1 299763927 HMSNFGWFHRFESE-UHFFFAOYSA-N 351.838 2.940 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCC4)cc2)C1 584893183 WWDOFKHHRNMXPS-GOSISDBHSA-N 350.418 2.626 0 50 FFAA COCCc1noc(CNC(=O)N(Cc2ccccc2Cl)C2CC2)n1 584886258 BPYCMLYJHDNONL-UHFFFAOYSA-N 364.833 2.786 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@@H]1CC[C@@H](N)c2ccccc21 1875287348 GJHIGKDCHQBZOM-ZIAGYGMSSA-N 368.462 2.933 0 50 FFAA Cc1ccc([C@@H](C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)o1 1875398035 YJVRIPQGZVBVCJ-HZPDHXFCSA-N 371.485 2.626 0 50 FFAA C=CC(=O)N(CCC(=O)N1CCCC1)Cc1ccc2c(c1)CC(C)(C)O2 1875384918 YMDPKQGXQZPBET-UHFFFAOYSA-N 356.466 2.927 0 50 FFAA Cn1ccc(C(=O)N2CC[C@]3(CCCC[C@H]3NC(=O)[C@@H]3CC3(C)C)C2)c1 1875407841 IWMWMDJDJTZBFN-CSODHUTKSA-N 357.498 2.962 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@H](C)n1cnc3ccccc31)OCCO2 952871686 BEPVWXVXKLKWBS-ZDUSSCGKSA-N 367.405 2.694 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)CCn2cnc3ccccc32)c1 952979235 UCNZDNBJWRRVKS-UHFFFAOYSA-N 365.437 2.565 0 50 FFAA Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2cccc3c(C)c(C)[nH]c23)n[nH]1 888093578 IEWGAXOCZPTRAQ-GUYCJALGSA-N 353.426 2.719 0 50 FFAA CC(=O)N1CC(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)C1 187847019 AABSSFTTXJHRCR-UHFFFAOYSA-N 361.492 2.543 0 50 FFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@@H](CC(N)=O)C1 188591551 ZYVOMDLCMVMIQA-LBPRGKRZSA-N 357.376 2.811 0 50 FFAA CN1CC[C@](C)(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 1704329830 CVPHTRBIQFZFSC-NRFANRHFSA-N 367.493 2.900 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)c1cncc(C(=O)N2CCCC2)n1 1704297774 DZGNSDKKQHUHNQ-UHFFFAOYSA-N 368.466 2.801 0 50 FFAA c1cc2c(c(-n3ccnc3-c3cnc(NC[C@@H]4CCCO4)nc3)c1)CCO2 1772805585 PONNCJIVESCNBF-HNNXBMFYSA-N 363.421 2.855 0 50 FFAA Cc1cccnc1CN(C)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 12318466 SUSWXLWWZXMFOM-OAQYLSRUSA-N 371.456 2.515 0 50 FFAA O=C(c1cccnc1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 15068270 BDYBUIFDPRXYRW-OAQYLSRUSA-N 367.424 2.876 0 50 FFAA Cc1ccnc(NC(=S)NC(=O)c2cncc(Br)c2)c1 17440361 WTRBQKRLGVMELH-UHFFFAOYSA-N 351.229 2.674 0 50 FFAA CCCc1nc2ccccc2c(NC(=O)CN2CCN(C)CC2)c1CC 19314289 BUAMGHDKOCLQJU-UHFFFAOYSA-N 354.498 2.936 0 50 FFAA CCOC[C@H](O)CNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 19635292 DCLUEROHCPIIHL-CYBMUJFWSA-N 358.373 2.747 0 50 FFAA CN1CCN([C@@H](c2ccccc2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 19850133 QPHQJYMBSDNNLS-UNMCSNQZSA-N 363.461 2.700 0 50 FFAA COc1ccccc1CC(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778379 IIAXDNKAERUEFN-UHFFFAOYSA-N 373.416 2.659 0 50 FFAA Cc1cnccc1CNC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 1857532098 IDZDKBXNECDCEZ-UXHICEINSA-N 350.466 2.806 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cccc(Cl)c1Cl 1857715213 HEHBHYWJMNTRDQ-SLEUVZQESA-N 355.265 2.975 0 50 FFAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n(C)n1 123385723 UVGCIGSPQDEQLP-ZIAGYGMSSA-N 353.344 2.695 0 50 FFAA Cn1nnc2cc(C(=O)N3CCN(C4CC4)c4cc(Cl)ccc43)cnc21 330146922 SZHSWJXSBLRQEK-UHFFFAOYSA-N 368.828 2.646 0 50 FFAA NC[C@@H]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)C1 333692893 PXAPJJOAENSFIF-RDBSUJKOSA-N 363.424 2.504 0 50 FFAA O=C(O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 238029835 UZDHDNHZFSSDIO-KBPBESRZSA-N 352.228 2.876 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2cc(C(C)=O)cn2C)C[C@@H]1C(=O)O 248142390 QUMQZNRQQNLNDY-MSOLQXFVSA-N 356.422 2.537 0 50 FFAA CC[S@@](C)(=O)=NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 925854098 LDIZIJNRARDIHJ-XMMPIXPASA-N 363.405 2.961 0 50 FFAA CC(C)(C)c1nnc2ccc(=NCCc3ccc4c(c3)CCOC4)[nH]n12 2325797436 VVVFRKIHRFYYMP-UHFFFAOYSA-N 351.454 2.571 0 50 FFAA O=C(COc1ccsn1)Nc1ccc(Br)c2c1CCO2 2325864990 IDSVARNUKUEPFA-UHFFFAOYSA-N 355.213 2.858 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2cc(C3CC3)on2)C1 2325867826 GSXYTAXVSQQVRS-CLWVCHIJSA-N 359.470 2.542 0 50 FFAA C[C@@H]1Cc2cc(C(=O)N[C@H]3CC34CCCCC4)ccc2N1S(C)(=O)=O 245598602 JJJFXWFOYDBRAC-DYVFJYSZSA-N 362.495 2.850 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1F 2356143314 CLHOHVBKRJCLPE-NRFANRHFSA-N 369.440 2.982 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CCc2ccc(F)c(F)c2)C1 2356147511 ZKRCJRKJWWZLOG-FQEVSTJZSA-N 372.419 2.607 0 50 FFAA COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]23)ccc1O 4404409 CAYMSCGTKZIVTN-TYILLQQXSA-N 356.374 2.592 0 50 FFAA biogenic,in-vitro Cc1ccc(N([C@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 4867287 XSQYCTOALNGDFC-CYBMUJFWSA-N 350.415 2.927 0 50 FFAA COc1c(C)cccc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 6671754 WJLDLXUJDQMYCD-UHFFFAOYSA-N 367.449 2.924 0 50 FFAA CCO[C@@H]1C[C@](O)(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)C1(C)C 225594837 DKGLZHLISJFWQA-ZTQAJYAQSA-N 362.470 2.860 0 50 FFAA COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(O)c3)NC2=S)cc1 100259869 SVBPMTSXJTTZEL-ZROIWOOFSA-N 356.403 2.672 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)cc1OC 21719708 OSQHKXLICOOVQL-ZDUSSCGKSA-N 352.412 2.526 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100621858 JSQGFGJIHOTLSS-JYJNAYRXSA-N 366.914 2.859 0 50 FFAA O=C(NCc1ccncc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10052262 MOEXLQJQXOFILG-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA O=C1C[C@@H](Cn2c(=O)oc3ccccc32)c2cnn(-c3ccccc3)c2N1 65371407 GSVPUAAVJWMCKW-ZDUSSCGKSA-N 360.373 2.906 0 50 FFAA Cc1ccc(NC(=O)CC(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)cc1 65488770 KXXGWCZVEQTTBB-CQSZACIVSA-N 371.412 2.915 0 50 FFAA COc1ccccc1-c1cc(CN[C@H](C)C(=O)Nc2nccs2)on1 65406365 DDWAYVGDRKAYLX-LLVKDONJSA-N 358.423 2.924 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CN(C)Cc3cccnc3)C2)c1 77456411 YCDMPUBMTFLSSA-QGZVFWFLSA-N 369.465 2.547 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)C3CCOCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72146518 QEVNDCGERUTHQK-PWRODBHTSA-N 370.493 2.510 0 50 FFAA CC(C)c1cc(C2CCN(C(=O)c3nnc4n3CCCCC4)CC2)[nH]n1 71279034 GCZHWUJGXLNAPM-UHFFFAOYSA-N 356.474 2.871 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)C4CCCC4)C3)CCC2=O)cn1 77455913 HVZXKZQVWAZLQH-OAQYLSRUSA-N 370.497 2.706 0 50 FFAA CSCCCN1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 72411949 FVPSBUJKJISEHX-INIZCTEOSA-N 351.564 2.734 0 50 FFAA C[C@@]1(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCCO1 153109176 OJTKKHKYMHWEQH-INIZCTEOSA-N 369.343 2.896 0 50 FFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)C1 153230678 ACNZSOQUDRAGFD-SUMWQHHRSA-N 359.401 2.763 0 50 FFAA Cc1ccc(Sc2ccc(CN3CCO[C@@]4(CNCCOC4)C3)o2)cc1 72149996 PERNWHUTJJMSEZ-FQEVSTJZSA-N 374.506 2.930 0 50 FFAA COc1ccc(-c2nccn2CCc2nc(-c3ccccn3)no2)cc1O 71746219 PPGROMAIBDJDRF-UHFFFAOYSA-N 363.377 2.952 0 50 FFAA CCN(C)CC(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 77354354 RCJGOHDSJMLNCS-KRWDZBQOSA-N 373.497 2.555 0 50 FFAA CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CCN(c2ccccn2)CC1 367397540 WFXMXHSRJDZLTH-SFHVURJKSA-N 357.429 2.772 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3c(Cl)c(C)nn3C)cn2)c1 72417746 QLMDECAUARUHQP-UHFFFAOYSA-N 373.844 2.848 0 50 FFAA O=C(CO)Nc1cccc(N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 174071999 KWSDHPTZUUTECC-MRXNPFEDSA-N 373.840 2.878 0 50 FFAA C[C@H]1C[C@@H](c2cccs2)CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 376773086 OYPILSWATVVGBP-WCQYABFASA-N 363.460 2.985 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)Nc1cnc(-c2ccccc2)nc1 454305429 AVXWDODPQNPCIC-INIZCTEOSA-N 374.466 2.575 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cccnn2)CCC(=O)N1Cc1ccc(F)cc1 71750667 IOKPRWKJGSMMFX-GOSISDBHSA-N 370.428 2.515 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC(N2CCC(O)CC2)CC1 72162536 VPNGWMZABRXFHK-UHFFFAOYSA-N 370.415 2.696 0 50 FFAA CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CC)CC[C@H]2C)cc1 456814537 DIBKNHHCTPAXCU-CABCVRRESA-N 352.500 2.564 0 50 FFAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCO[C@H](c4ccc(F)cc4)C3)c12 71752789 UBOFAFGOJRLEAY-HNNXBMFYSA-N 370.384 2.692 0 50 FFAA COC[C@H](NC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1)c1cccc(Cl)c1 263338000 MVTVHCQSNDDECV-ZLDLUXBVSA-N 354.834 2.780 0 50 FFAA CCOc1ccc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c2ccccc12 176749424 ARJFEFGOPLJGRR-OAHLLOKOSA-N 372.450 2.643 0 50 FFAA CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 225390449 YELVIGDJVYDDQK-ZBFHGGJFSA-N 361.442 2.611 0 50 FFAA OC1CC(c2cc(NCCc3csc(-c4ccncc4)n3)ncn2)C1 222759501 ZCZUWNHMKIQZAA-UHFFFAOYSA-N 353.451 2.888 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1CCN(c2cccc(Cl)c2)C(=O)C1 82097523 FXLAIQOFZKNHSF-UHFFFAOYSA-N 362.788 2.603 0 50 FFAA CCn1nc(CNc2cc([C@@H]3CCOC3)nc(COC)n2)c2ccccc21 426658625 ZNJQCEQNKVFLPX-CQSZACIVSA-N 367.453 3.109 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)Cn2sc3ccccc3c2=O)n1 95531489 YTFWUCSSOKDIHE-ZDUSSCGKSA-N 358.423 2.508 0 50 FFAA Cc1ccc([C@H](C(=O)NCc2noc(Cc3cccs3)n2)N(C)C)cc1 91932551 CMLDMUVLYWMKKO-GOSISDBHSA-N 370.478 2.949 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC2(CC1)OCCC[C@@H]2OC 97492531 ZUDCBBSEGPRMET-SFHVURJKSA-N 363.502 2.902 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(Cc1cccc3cccnc13)CCN2C 91988339 LMNGBDHHSODTGQ-QFIPXVFZSA-N 366.509 2.753 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3cnc(O)nc3O)cc2)on1 426436731 QXACOACGFZCICF-OAHLLOKOSA-N 366.377 2.829 0 50 FFAA CC1(C)CN(C(=O)c2cc3ncc(CCO)cn3n2)C[C@@H]1c1ccccc1 426387222 GTFAXKTZNGPKDR-QGZVFWFLSA-N 364.449 2.530 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237502856 IQPLODITMDJLMJ-HIFRSBDPSA-N 367.478 2.948 0 50 FFAA CC(C)c1ncc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)cn1 95523071 DWVVEEXBVQIQCR-OXQOHEQNSA-N 353.422 2.663 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)o1 91425795 KXUIEJYBGBUGIZ-MRXNPFEDSA-N 365.437 2.951 0 50 FFAA CCCOc1ccc(Cl)cc1CNC(=O)c1cc(=O)c(OC)c[nH]1 97775510 XNLJJHCFGYDRSB-UHFFFAOYSA-N 350.802 2.756 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc(C)n1 95519522 FYMKBGXAZJQJRB-SFHVURJKSA-N 351.450 2.598 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)on1 95497200 DBPDDEINLAMMAW-UHFFFAOYSA-N 357.410 2.534 0 50 FFAA COCCN1C[C@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1=O 91596144 AMPPDJFNRXKLGV-GFCCVEGCSA-N 362.813 2.577 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCCO3)CC2 92062036 CNVUOWVDVWFDQK-UHFFFAOYSA-N 368.481 2.550 0 50 FFAA O=C(O)C[C@H]1c2ccccc2CCN1C(=O)COc1ccc(F)cc1F 95526711 GWDZLIXYNQKJEZ-INIZCTEOSA-N 361.344 2.944 0 50 FFAA CCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91519109 DUAVTOIAJNKKLV-KRWDZBQOSA-N 358.482 2.843 0 50 FFAA CC[C@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)n1cccn1 91616508 SSJUUZQEZISMKW-MRXNPFEDSA-N 356.474 2.558 0 50 FFAA Cc1ccc(SCCNC(=O)[C@H]2CC(=O)N(c3cccc(O)c3)C2)cc1 97653961 AANAJJLEOGUPGG-HNNXBMFYSA-N 370.474 2.962 0 50 FFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CO)C3)cc2)c1 95525598 DWDWPHVJHKRUKW-QGZVFWFLSA-N 368.433 2.532 0 50 FFAA CN(Cc1nccn1Cc1ccccc1)C(=O)c1cccc(-n2cnnc2)c1 91964959 PGUACZGKMHOPJV-UHFFFAOYSA-N 372.432 2.784 0 50 FFAA CCc1nnc(NC(=O)[C@@H](C)N(C)Cc2cc(C(C)(C)C)n[nH]2)s1 244674024 HZYQQJMWRRSMPZ-SNVBAGLBSA-N 350.492 2.580 0 50 FFAA Cn1cc([C@@H](NC(=O)c2cc3c(s2)CCCCC3)[C@H]2C[C@@H](O)C2)cn1 244691824 JJWDMRYKUONJTL-JOQOYGCGSA-N 359.495 2.993 0 50 FFAA COCc1nc(NCCc2c[nH]c3ccccc23)cc([C@H]2C[C@@H](N)C2)n1 244742302 OFGLWHGPESCEHH-GASCZTMLSA-N 351.454 2.964 0 50 FFAA CCN(CCSc1ccccc1)C(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 244887862 YPTCKURGHNZLCL-IYBDPMFKSA-N 373.526 2.975 0 50 FFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)NCCN1CCCCC1=O 299764415 SMZGVRYRTWZSFI-HNNXBMFYSA-N 355.442 2.626 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 67675360 GTHRNTVDWDYYAP-HXUWFJFHSA-N 366.465 2.806 0 50 FFAA CNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2nncn2C2CCCC2)c1 299761410 WJFFHHOGSJXCMW-ZDUSSCGKSA-N 370.457 2.944 0 50 FFAA O=C1OCc2cc(NC(=O)N(Cc3ccncc3)C[C@H]3CCCO3)ccc21 299763551 WSRLGDAQGNCGAT-QGZVFWFLSA-N 367.405 2.965 0 50 FFAA COc1cccc(SCC(=O)N2CCN(C3CCSCC3)CC2)c1 299754878 BBFWLONVZSLRFC-UHFFFAOYSA-N 366.552 2.827 0 50 FFAA CCc1nccn1CC1(CNC(=O)[C@H]2CC(=O)OC23CCCCC3)CC1 299801791 YCAYTDXAJZUIFU-OAHLLOKOSA-N 359.470 2.608 0 50 FFAA COc1nc(-c2ccc(C(=O)NCCCn3ccnc3C)cc2)ncc1F 824845451 PUVMCKFSKXRFOT-UHFFFAOYSA-N 369.400 2.616 0 50 FFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H](C(=O)O)C1 269174707 JFTXSXGVGIJUMI-YPMHNXCESA-N 354.244 2.951 0 50 FFAA Cc1cccc2nc(C(=O)NCC3CN(Cc4ccc(F)c(F)c4)C3)cn12 1875337208 QLYNKXGHYVMHEY-UHFFFAOYSA-N 370.403 2.783 0 50 FFAA COC(=O)c1nccc(N2CCC[C@@H]([C@H](C)NC(=O)CC3CCCC3)C2)n1 1875303391 SMBMKQUFBFVAKQ-GOEBONIOSA-N 374.485 2.565 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)c1 1875395596 GFOMQIZEIPQARG-UUOWRZLLSA-N 350.484 2.830 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)NC(C)(C)c3ccn(C)n3)ccc21 1875371812 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COc1ccc(OC)c([C@H]2CCN(C(=O)c3cnc(SC)nc3)C2)c1 91625081 BWAUUAGXOUQICJ-LBPRGKRZSA-N 359.451 2.845 0 50 FFAA CC(C)N1CCC(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)CC1 95523484 HBUCFGGSWHQXMG-HXUWFJFHSA-N 356.510 2.584 0 50 FFAA COC(=O)c1cccc(NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 95496950 FKCXQINYVBAJEI-GOSISDBHSA-N 353.422 2.994 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)CN3CC4(CCCC4)CC3=O)CC2)n1 95520775 SSMJNBOSBPZROP-UHFFFAOYSA-N 374.485 2.692 0 50 FFAA Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 91563191 GDRBXTDOPFGHNJ-AZUAARDMSA-N 352.482 2.589 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2cc(C)ccc2C)[C@H]2C[C@@H](O)C2)cn1 244619993 FJWJXCZHACJANH-LVCYWYKZSA-N 354.450 2.878 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CCCN(C(=O)C3CC3)CC1)c(C)n2C 244724181 MPFRXCKGNJBJKL-UHFFFAOYSA-N 369.465 2.580 0 50 FFAA COc1ccc(Cc2ncc3c(n2)CN(CCCn2ccnc2C)C3)cc1 244708006 KLXKGKLVEMYGRR-UHFFFAOYSA-N 363.465 2.987 0 50 FFAA CC[C@@H]1C[C@H](C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CCO1 183509395 PJEKMUODZUDJSA-SJLPKXTDSA-N 362.445 2.705 0 50 FFAA CCOc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)CO2 299748646 HTYBIMSPDCMSCK-CQSZACIVSA-N 373.405 2.895 0 50 FFAA Cc1c(Cl)c(C(=O)N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)nn1C 253378380 CKCOGPDEUFVSEP-XDMRBOTDSA-N 369.799 2.902 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N3CC[C@@H](c4nc(C)no4)C3)nc2c1 299802773 PJLUKYPSZHSCFE-GFCCVEGCSA-N 357.439 2.671 0 50 FFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(=O)n(C)n2)ccc1F 299780922 DAZLWMWYQDBVAT-MUJYYYPQSA-N 355.413 2.779 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 36056786 IHWAPDHBWDLRCN-UHFFFAOYSA-N 359.495 2.890 0 50 FFAA CN(C(=O)Nc1cccc(OC(F)(F)F)c1)C1CCS(=O)(=O)CC1 299768196 KDWOFBPQHNFUTC-UHFFFAOYSA-N 366.361 2.626 0 50 FFAA CCc1nccn1CC1(CNC(=O)[C@@H]2CC(=O)OC23CCCCC3)CC1 299801786 YCAYTDXAJZUIFU-HNNXBMFYSA-N 359.470 2.608 0 50 FFAA CC[C@@H](C)Cc1nc(C2(O)CCN(C)CC2)n(-c2ccc(OC)cc2)n1 822619985 FAIMSSFPUMJRIN-OAHLLOKOSA-N 358.486 2.778 0 50 FFAA CN(C)[C@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 584892905 DNAXYXVFHZDOGA-IBGZPJMESA-N 372.513 2.548 0 50 FFAA Cc1csc(NC(=O)C2CCN(C(=O)[C@H]3SCC[C@@H]3C)CC2)n1 1875289079 RRHJQCZUCMTIJD-GWCFXTLKSA-N 353.513 2.770 0 50 FFAA O=C(NC1CCOCC1)c1ccc(NCc2cccn3nccc23)cc1 1875266719 IQUGTVOURZHOGO-UHFFFAOYSA-N 350.422 2.855 0 50 FFAA O=C(CNc1ccccc1Cl)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C=CCC1 1875345089 RMYBIPHJGYXXKX-XYPHTWIQSA-N 361.873 2.872 0 50 FFAA O=C(CSc1ccncc1)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565513185 HEEBHPMATXWKKJ-IRXDYDNUSA-N 362.426 2.666 0 50 FFAA COc1ccccc1N1CC[C@@H](Nc2nc(O)c3ccccc3n2)C1=O 301585239 AVROAJNWGCUZJM-CQSZACIVSA-N 350.378 2.561 0 50 FFAA C[C@H]1C[C@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCO1 271898804 VWBSLCMOLCNPHN-DZGCQCFKSA-N 352.425 2.861 0 50 FFAA Cc1noc(CCC(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 275592453 HMEVZVJSUJOYIO-HNNXBMFYSA-N 360.483 2.543 0 50 FFAA O=C(C1CC1)[C@H]1CN(C(=O)c2ccnc(OC3CCCCC3)c2)CCO1 170617824 SYFDHXWGHYVNPC-QGZVFWFLSA-N 358.438 2.613 0 50 FFAA CC[C@H](C)n1nc(C)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 1506397113 QAWWIIJZOMYMLO-HNNXBMFYSA-N 370.453 2.887 0 50 FFAA CCCN1C[C@H]2CN(Cc3ccc(F)cc3F)C[C@@]2(CCC(=O)O)C1 1772705660 VCRWDKFUMJJGPL-HNAYVOBHSA-N 352.425 2.973 0 50 FFAA O=C(NCC1CCOCC1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772811407 URDRGBTUGDAPFR-OAHLLOKOSA-N 357.479 2.853 0 50 FFAA CC[C@@H](C(=O)Nc1cccnc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716355 FPWMVPHDFRZCSZ-KRWDZBQOSA-N 361.467 2.882 0 50 FFAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccoc1)CC2 14741901 WNTBDVYZESVLBK-UHFFFAOYSA-N 367.449 2.751 0 50 FFAA Cc1cc(C)nc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCc2cccc(Cl)c2)n1 15070794 YOEDKZVGZCMNCH-DLBZAZTESA-N 372.856 2.999 0 50 FFAA CCCc1nnc(N2C[C@H](C(=O)N3CCC4(CCCC4)C3)CC2=O)s1 1857718040 LMHGJHLHRPXQNQ-CYBMUJFWSA-N 362.499 2.636 0 50 FFAA O=C(Nc1cccnc1Oc1ccc(F)cc1)c1cn2c(n1)CCNCC2 1857725286 OIRDNJIRWVPDLI-UHFFFAOYSA-N 367.384 2.608 0 50 FFAA CO[C@H]1C[C@@H](C(=O)NCc2cc(-c3ccc(Cl)cc3)no2)CC[C@@H]1N 1857731880 SEBIUBWUVBKBBQ-NUTKFTJISA-N 363.845 2.754 0 50 FFAA O=c1cc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)nc2ccc(Cl)cn12 1857734439 SHSDVXVSLZUQHV-DAYGRLMNSA-N 372.900 2.654 0 50 FFAA O=C(CCn1cnc2ccccc21)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 210155203 OQWHDCPCOQXIMR-XLIONFOSSA-N 367.424 2.943 0 50 FFAA CC(=O)N[C@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@@H]1c1ccc(C)o1 216687428 VUNUYYTUHFCBQA-IRXDYDNUSA-N 366.421 2.742 0 50 FFAA C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 408338731 IHKGXNAQZPASLP-LERXQTSPSA-N 361.243 2.748 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2S(=O)(=O)c1ccccc1 247943051 QFKFPHXYTGYDQD-AEFFLSMTSA-N 370.474 2.612 0 50 FFAA NC(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 363122258 MFTSHTMWGOVGQE-CYBMUJFWSA-N 357.841 2.695 0 50 FFAA O=C(O)c1coc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)n1 844213750 LRHFIDGXLBNSNZ-UHFFFAOYSA-N 372.299 2.759 0 50 FFAA O=C(CSc1nc(-c2ccco2)n[nH]1)NCCc1c[nH]c2ccccc12 2325722933 FRHUMIVSVQTTMQ-UHFFFAOYSA-N 367.434 2.997 0 50 FFAA O=C(N=c1ccn(-c2ccc(Cl)cc2)[nH]1)c1ncoc1[C@@H]1CCCNC1 2325801124 XCIAKOMOKBSDBC-GFCCVEGCSA-N 371.828 2.655 0 50 FFAA O=C(O)[C@H]1CCC[C@@H]1Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F 2325827514 IKIHODSMJGNVAU-IUCAKERBSA-N 355.309 2.784 0 50 FFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)O1 911546154 SOPVKKQWCNQYIG-SJORKVTESA-N 360.385 2.645 0 50 FFAA Cc1cc(C)n(CCOC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)n1 924401828 ONFCDQVKQPGICJ-UHFFFAOYSA-N 367.331 2.657 0 50 FFAA CN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 684643 DUBHPFLCOUDGHO-HNNXBMFYSA-N 366.236 2.948 0 50 FFAA Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 710974 OZTQXTJAPOOEGJ-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 1157343 KXCAWHBTHHCZJT-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 2485445 DPLBSTZPFDGATN-CQSZACIVSA-N 358.394 2.834 0 50 FFAA COc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(OC)cc2)cc1 2849241 KTTGNUJUTJDPPC-UHFFFAOYSA-N 368.349 2.591 0 50 FFAA Cc1csc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 2869148 XSYMQKUJWWVMBQ-UHFFFAOYSA-N 374.491 2.980 0 50 FFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356140847 QKHWBQYVLOIEAH-NRFANRHFSA-N 364.449 2.657 0 50 FFAA COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 3861548 BLGXFZZNTVWLAY-DKJBZYCGSA-N 354.450 2.647 0 50 FFAA in-man O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(F)c(F)cc1F 246222049 FLPADMPCNPOALA-TZTCFGBESA-N 361.385 2.730 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2C)s1 4736259 LPVXFQVUQPLZQC-UHFFFAOYSA-N 364.431 2.512 0 50 FFAA COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2nnc(C)s2)CC1=O 4841312 QJMFVZQPJYHFOL-VIFPVBQESA-N 366.830 2.500 0 50 FFAA CCc1nc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)no1 110966950 NOWGCAWNUUKGTO-IBGZPJMESA-N 350.378 2.752 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 10315077 JFTTWSYBHASQND-UHFFFAOYSA-N 362.451 2.647 0 50 FFAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 27973281 RPVXQKAYGXGZRR-MRXNPFEDSA-N 368.433 2.873 0 50 FFAA c1ccc(COc2ccccc2CN2CCN(c3ncccn3)CC2)nc1 120788895 NWSWIJVPPQOWEU-UHFFFAOYSA-N 361.449 2.773 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2nc(C)cs2)CC1 328650257 VMCQNBZZZWGQQD-QGZVFWFLSA-N 359.499 2.645 0 50 FFAA CN(Cc1cn[nH]c1-c1ccccc1)C(=O)c1cnnn1-c1ccccc1 67909212 YCACWAWNHKUREK-UHFFFAOYSA-N 358.405 2.930 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1Cc2cc(Cl)ccc2N1 217753264 NJAZQCTWQJRRNP-IBGZPJMESA-N 370.884 2.852 0 50 FFAA CCS(=O)(=O)c1ccc(O)c(-n2ccnc2-c2ccc3c(c2)OCO3)c1 77323590 OMDYPPMVIWMCQQ-UHFFFAOYSA-N 372.402 2.767 0 50 FFAA Cn1c(CN(Cc2ccccc2)[C@H](CO)C2CC2)nc2ccccc2c1=O 156027850 HZKNYEVCHNRXRY-HXUWFJFHSA-N 363.461 2.707 0 50 FFAA O=S(=O)(c1cnc2n1CCC2)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333914169 MHPQENZDNKLJPM-INIZCTEOSA-N 357.479 2.788 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCc2ccc(F)cc2C1 132868492 LURZHRNOHGQJMF-UHFFFAOYSA-N 370.428 2.956 0 50 FFAA O=C1CCCCN1CC(=O)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 215261059 MNBNPGPOPBWGFW-IUYMFKLXSA-N 356.466 2.720 0 50 FFAA CN(CC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1)Cc1ccccn1 77522643 RWPMJOZWEUPDHB-IBGZPJMESA-N 365.477 2.564 0 50 FFAA COc1cc(F)c(CN2CCCC[C@@H]2CCN2CCOCC2)cc1OC 77299676 CVHBSEXHWYJHCC-QGZVFWFLSA-N 366.477 2.920 0 50 FFAA Cn1ccnc1N1CCC(NC(=O)c2cnc(-c3ccccc3)s2)CC1 373883945 WMHYIYOHEHPDJJ-UHFFFAOYSA-N 367.478 2.942 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cn1 262334048 WHSDYKYSZGUYOH-OAHLLOKOSA-N 354.362 2.528 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4ccncc4C)C3)CCC2=O)cn1 77423025 GGEJEQPEGWKKSI-NRFANRHFSA-N 365.481 2.898 0 50 FFAA Cc1cc(C)c(CN2CCN(CCO)CC2)cc1CN1CCC(C)CC1 219307965 XIJRHYPQDFKGGV-UHFFFAOYSA-N 359.558 2.645 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H]1Cn1cccn1 77488510 AOYWHPVMXOMUBU-MRXNPFEDSA-N 351.410 2.557 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCn3nc(CO)cc3C2)cc1 221193368 WHTPGMDRXNDZFN-UHFFFAOYSA-N 361.445 2.931 0 50 FFAA Cc1cn2cc(C(=O)N(CCCn3ccnc3)Cc3cccnc3)ccc2n1 82114539 TWQOKOMJUHHKFC-UHFFFAOYSA-N 374.448 2.967 0 50 FFAA O=C(CSc1ccc2nncn2n1)Nc1cccc(C(F)(F)F)c1 44893490 MRLKXBUNAOXKSU-UHFFFAOYSA-N 353.329 2.874 0 50 FFAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)c1scc2c1OCCO2 82106938 UBBCAHHWLBARAD-CYBMUJFWSA-N 361.467 2.880 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 223222516 FCCSWSFXGBXIMS-LBPRGKRZSA-N 359.817 2.582 0 50 FFAA C[C@@H]1CN(C2CCN(C(=O)c3cnc4ccc(F)cc4c3)CC2)CCO1 179360803 FSGFWKFQDHTGLG-CQSZACIVSA-N 357.429 2.699 0 50 FFAA COc1ccc(NC(=O)N2CCN(c3ccccc3OC)C(=O)C2)c(C)c1 426489878 HEEFWWGCMKGMAZ-UHFFFAOYSA-N 369.421 2.893 0 50 FFAA CSc1ccc(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cc1 91595939 MHIIOVFPDOVNHS-UHFFFAOYSA-N 362.495 2.698 0 50 FFAA CSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cn1 95378316 RQAQHWMPIUEFPV-QGZVFWFLSA-N 368.506 2.837 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(c2ccnc(C)c2)CC1 92001466 BXIUBEIPVWPLPV-UHFFFAOYSA-N 351.458 2.630 0 50 FFAA NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(SCCc2ccccn2)cc1 96152745 GYMSJTJAZCJVLR-QGZVFWFLSA-N 370.478 2.898 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1cc(C(F)(F)F)[nH]n1 97757827 DFIJYFNRRZTNGM-CQSZACIVSA-N 367.375 2.781 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@H]3Cc4ccccc4CN3C)cc2)no1 95388929 PJOWHASDIRTREC-LJQANCHMSA-N 362.433 2.718 0 50 FFAA NC(=O)C1CCN(C(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)CC1 96140880 AWNTUKFXJULSTP-UHFFFAOYSA-N 359.426 2.515 0 50 FFAA Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c2ccccc21 91321439 AJYZDGKVMFJUHQ-JKSUJKDBSA-N 361.449 2.709 0 50 FFAA COCc1noc([C@@H](C)N2CCN(Cc3ccccc3Cl)CC2)n1 182031417 SNEOIHFIMHKVEP-CYBMUJFWSA-N 350.850 2.748 0 50 FFAA O[C@H]1C[C@@H]([C@H](Cc2ccncc2)NC2CCN(Cc3ccco3)CC2)C1 244899681 ZNXKTEXFKAGZHA-DSKINZAPSA-N 355.482 2.611 0 50 FFAA Cc1cn2c(=O)cc(CN3CCCN(c4ccc(F)cc4)CC3)nc2s1 244734723 NKSDVWMPRXGNGA-UHFFFAOYSA-N 372.469 2.916 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)[C@@H]1CCCc2c1[nH]c1ccccc21 244795776 RNIDRJADFFFTRI-QGZVFWFLSA-N 356.466 2.835 0 50 FFAA C[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 252482605 DKIUXHZEIHJTQY-SNVBAGLBSA-N 367.800 2.683 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CCCc4nc(O)ccc43)c2n1 298724399 SWQVISHEGYYZAY-OAHLLOKOSA-N 351.410 2.563 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N[C@H]3CC[C@H](O)CC3)nc2)n1 254350035 JDPXDAIDNJNRLL-SHTZXODSSA-N 360.483 2.746 0 50 FFAA CS(=O)(=O)C1CCC(NC(=O)c2scnc2C2CCCC2)CC1 184947039 KTQRWHYDPMPJNE-UHFFFAOYSA-N 356.513 2.886 0 50 FFAA CN(CC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)Cc1ccccc1F 252527686 DDNKXYNBXVKPMR-ZJOUEHCJSA-N 370.468 2.756 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cc1C(=O)O 299750941 OVGFQBCYVTXTJO-SFHVURJKSA-N 355.390 2.630 0 50 FFAA Cc1nc(C)c(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 252522854 BHUGTDMADFUSRL-UXLLHSPISA-N 358.463 2.937 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cnc(C(C)C)nc1O 253537267 IMKNXCLJJGANOR-HNNXBMFYSA-N 357.458 2.896 0 50 FFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1cccc(C(=O)O)c1 299744964 QHOUFIFPINEDFV-HNNXBMFYSA-N 356.403 2.504 0 50 FFAA COc1ccc([C@H](NC(=O)COc2cccc(C)c2C)[C@H]2C[C@@H](O)C2)cn1 252527607 CZMRZFKZYDGSHK-FVJLSDCUSA-N 370.449 2.714 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CCO[C@H]1c1cnn(-c2ccccc2F)c1 1875306423 FREOPYQAVUFBJN-APWZRJJASA-N 366.396 2.800 0 50 FFAA COc1ccc(C[C@@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)C2)cc1 1875318358 HELHNTMZFZQWFM-HNNXBMFYSA-N 350.422 2.980 0 50 FFAA C=CC(=O)NC1CCC(N(C)C(=O)Cc2nsc3ccccc23)CC1 1875386568 UELAGWBBDAPRSO-UHFFFAOYSA-N 357.479 2.911 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@H]1COCC[C@@H]1OCc1ccccn1 1565515025 DKCYNTLNVRHBRJ-OALUTQOASA-N 358.413 2.644 0 50 FFAA COc1cccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1 1565515704 DLEPJFIISYZTGQ-UXHICEINSA-N 365.477 2.756 0 50 FFAA Cc1c(NCC2(C)CCN(C)CC2)nn2c(C(F)(F)F)nnc2c1C 272412132 CNQYQYBONGGWEG-UHFFFAOYSA-N 356.396 2.904 0 50 FFAA COc1ccc(-c2nc3s/c(=C\c4ccccc4F)c(=O)n3n2)cc1 630797 WLDVPQFYWXOJCE-GDNBJRDFSA-N 353.378 2.513 0 50 FFAA CSCCN1CCC(Nc2cc(C(=O)N3CCCCC3)ccn2)CC1 1704300887 YYVNTIVRPXNLCY-UHFFFAOYSA-N 362.543 2.947 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccnc(C(C)C)n1)C2 212095421 CUTFNBGZXFABCE-CVEARBPZSA-N 356.470 2.629 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@@H]1c1cccnc1 212596499 WXSPQKJZUKCAGR-KGLIPLIRSA-N 362.332 2.623 0 50 FFAA O=C(Cc1cccc2ccccc12)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615736672 LQUQPXWHEAZOPD-FPOVZHCZSA-N 350.462 2.704 0 50 FFAA O=C(c1ccccn1)N1CCCN([C@H]2CCN(c3ccccc3)C2)CC1 1772808351 NTXBSSNXPHEDBW-IBGZPJMESA-N 350.466 2.508 0 50 FFAA Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)C2CCOCC2)O3)nc1 11783302 PCJXOSQXQCLOCH-GOSISDBHSA-N 352.434 2.903 0 50 FFAA CO[C@H]1CCCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)C1 15073104 IGBVLHMIHOABGX-KRWDZBQOSA-N 372.469 2.664 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@@H](O)c1ccccc1)CC2 1857672494 FJXSLKFMZBPRQA-NRFANRHFSA-N 361.445 2.748 0 50 FFAA CC(CNC(=O)[C@H]1CC[C@H](N)[C@@H](O)C1)(c1ccccc1)c1ccccc1 1857721973 ALIIATNXMBBOOR-VDGAXYAQSA-N 352.478 2.597 0 50 FFAA CC(C)=CCN1C[C@@H]2[C@H](CNC(=O)c3csc(C)n3)[C@H]3CC[C@]2(C1)O3 1857733899 DUOWWXWKPUPCLM-BUIAKZPTSA-N 361.511 2.627 0 50 FFAA CCC[C@H]1COC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C)CCN12 1857735573 SEMMKLSZMSARGR-LSDHHAIUSA-N 372.918 2.522 0 50 FFAA Cc1ccc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)cc1F 216319664 SMCPBHRPZAWQQV-CABCVRRESA-N 371.364 2.803 0 50 FFAA COCc1nn(C)cc1C(=O)N1CCCN(c2ccccc2Cl)CC1 425308582 LSTFALOOLBCJFP-UHFFFAOYSA-N 362.861 2.572 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 237644528 ZNLLCRZDUJTZRC-SFHVURJKSA-N 362.426 2.739 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)CCCc1ccc(OC)cc1)C2 247922358 OUVJIYKPPUQEGU-OALUTQOASA-N 360.498 2.587 0 50 FFAA CCn1c(CN2CCC[C@H](c3ccn(C)n3)C2)nc2cc(C(=O)O)ccc21 903631631 PJEMGHSGJJYOFV-HNNXBMFYSA-N 367.453 2.868 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 398014326 VKVSKRGVSODFOX-KSSFIOAISA-N 368.437 2.817 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1occc1-c1ccccc1 2325786030 YWOZRAIJKCEZHC-BMGDILEWSA-N 351.406 2.713 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2sccc2Br)C1 2325888452 UPGLSIHWMWUBGK-JTQLQIEISA-N 357.273 2.551 0 50 FFAA O=C(NCC12C3C4C5C3C1C5C42)c1c[nH]cc1-c1ccc2c(c1)OCCO2 2325888539 BRCNNKSBGXNHKF-UHFFFAOYSA-N 360.413 2.551 0 50 FFAA CCn1cc(Br)c(C(=O)Nc2ccccc2C(=O)OC)n1 647447 KLDTVFPVUSOHRN-UHFFFAOYSA-N 352.188 2.704 0 50 FFAA Cc1c(NC(=O)CSc2ccccn2)c(=O)n(-c2ccccc2)n1C 867371 ZRXGCDBBENIAAO-UHFFFAOYSA-N 354.435 2.610 0 50 FFAA O=C1C[C@@H](c2nc(-c3ccc4nn[nH]c4c3)no2)CN1c1ccccc1F 350492829 ZYVCEVDNFSFYSY-LLVKDONJSA-N 364.340 2.668 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccncc1 1052420 INFATELFNXZHQR-UHFFFAOYSA-N 359.451 2.899 0 50 FFAA Cn1cc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c2ccccc21 2356134576 SMLDMJWYHMBKLG-NRFANRHFSA-N 351.450 2.938 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc3ccn(C)c3n2)C1=O 2356138911 SAONMFXHXMUAPE-HXUWFJFHSA-N 354.454 2.579 0 50 FFAA c1ccc(-c2n[nH]c(=N[C@@H]3CCC[C@@H](CN4CCOCC4)C3)s2)cc1 2356141903 VJDWHGWKOTWXIQ-NVXWUHKLSA-N 358.511 2.930 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2ccc(F)c(F)c2)CC[C@H]1O 2356163450 DJKPLOQBVMKMNW-CRAIPNDOSA-N 355.381 2.679 0 50 FFAA O=C(CSC(=S)N1CCOCC1)Nc1nc2ccccc2s1 6890682 MDYNXNPNYLNVRS-UHFFFAOYSA-N 353.494 2.585 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)C1 58040148 KWDPPVUELUZPKF-HOTGVXAUSA-N 352.500 2.542 0 50 FFAA Cc1c(-c2cc(CN[C@]3(CO)CCCc4ccccc43)on2)cnn1C 225648640 WFQPGFOWQKOJBD-FQEVSTJZSA-N 352.438 2.697 0 50 FFAA CCNC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 55462397 VZERPUOZKPUTRH-UHFFFAOYSA-N 353.466 2.767 0 50 FFAA COC(=O)C1(OC(=O)Cn2c(C)c(Br)c3ccccc32)CC1 225855713 PWZPZHSEJBHFRZ-UHFFFAOYSA-N 366.211 2.961 0 50 FFAA Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)c1 55089721 GUVGBEPAYWWRGG-UHFFFAOYSA-N 354.406 2.785 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCC2(C=Cc3ccccc32)CC1 67713713 FAOZRMTVCSVTTP-QHCPKHFHSA-N 366.505 2.811 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)c1nc(CCN)nc2ccccc12 65370468 YIDXEJCGXSKKPE-UHFFFAOYSA-N 358.449 2.953 0 50 FFAA O=C(Nc1ccc2nc(S)[nH]c2c1)[C@H]1CCCN1C(=O)C1CCCC1 135514606 UENXUQSJAVEGTK-OAHLLOKOSA-N 358.467 2.971 0 50 FFAA O=C(CCn1cncn1)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67756599 XXOOMTKNADBDKA-UHFFFAOYSA-N 372.432 2.796 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@]2(C1=O)[C@@H](C)CCC[C@H]2C 252457544 QGRLJURSMLVZMT-TYTKBFJVSA-N 369.465 2.711 0 50 FFAA O=C(c1csc(-c2cnccn2)n1)N(C[C@H]1CCCO1)c1ccncc1 172193829 VOCXGFPBKUNGLB-CQSZACIVSA-N 367.434 2.821 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(Cc2ccccc2Cl)c1 2805045 PBFXJMYGLJSFKW-UHFFFAOYSA-N 365.846 2.726 0 50 FFAA CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2c[nH]cn2)[C@@H]1c1ccccc1 36358453 QLGHLIGTIUWFMF-UXHICEINSA-N 374.444 2.679 0 50 FFAA CCCCN(C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 253419272 LMKDXBGNEUCUMK-YLJYHZDGSA-N 359.514 2.977 0 50 FFAA C[S@](=O)c1ccc(NC(=O)N2CCC3(C2)Oc2ccccc2O3)cc1 377580697 CZGAMFUGUOVWLI-VWLOTQADSA-N 358.419 2.829 0 50 FFAA CC1=CC[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2C1 71754043 MMIOURJFAUIZFS-MSOLQXFVSA-N 353.466 2.749 0 50 FFAA O=C(Cn1ccnc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 77300612 NSARNQAPYRQERB-UHFFFAOYSA-N 353.344 2.972 0 50 FFAA Cc1ccc(-c2ccnc(NCc3nnnn3-c3ccccc3)n2)c(C)n1 71736309 VYIHGHUQEPRKGI-UHFFFAOYSA-N 358.409 2.743 0 50 FFAA Cn1ncc2c(NCc3cnn4ccccc34)nc(-c3cccnc3)nc21 72172387 ZCFJSKBBOKZCJN-UHFFFAOYSA-N 356.393 2.685 0 50 FFAA C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cn2ncsc2n1 77338117 VIGSGBZTODHUNK-LLVKDONJSA-N 368.422 2.651 0 50 FFAA Cc1c(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)nnn1C1CCNCC1 237568043 TWAJCSRTJTWGMH-SGTLLEGYSA-N 371.460 2.704 0 50 FFAA COc1ccc(N2C(=S)N[C@H]3N2C(=S)N[C@]3(C)c2ccccc2)cc1 13571641 VYVXBEFYZHTMSX-MAUKXSAKSA-N 370.503 2.736 0 50 FFAA Cc1nc2ccnn2cc1C(=O)N1CCN(c2cccc(F)c2)C[C@H]1C 452122241 LJUGILKFAVRNSO-CYBMUJFWSA-N 353.401 2.528 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 14423503 UTKBGVTWAPEKHZ-CALCHBBNSA-N 354.450 2.840 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3cccc4nccnc34)CC2)nn1 48422319 LRQVCNQLKUOFAH-UHFFFAOYSA-N 364.453 2.996 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CCC(=O)N(CCC(C)C)CC2)C1 43125099 JZLNWIKRNXHVGW-RTBURBONSA-N 365.562 2.994 0 50 FFAA Cc1cccc(-c2ncc(C(=O)N[C@@H]3COC4(CCCC4)C3)c(=O)[nH]2)c1 82098905 IALCHQNOMIWCSU-HNNXBMFYSA-N 353.422 2.577 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ncc(F)cc1F 223224110 DNUVKGMVZRMLDA-AJUCZRQESA-N 360.360 2.537 0 50 FFAA O=C(NCCc1cccs1)N1CCCO[C@@H](CN2CCCCC2)C1 426550344 BQTIDADKWPJQFO-INIZCTEOSA-N 351.516 2.577 0 50 FFAA CC(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc12)C(N)=O 96032879 KJNZIEGLNLCWTQ-KRWDZBQOSA-N 356.470 2.856 0 50 FFAA in-vitro CCN(C(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1)C1CC1 95531448 CWMAFMHQAPCRTQ-UHFFFAOYSA-N 374.481 2.717 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@@H](N)C2)n(-c2cc(C)c3ccccc3n2)n1 97642035 ZPEMDZOKTXADJW-OAHLLOKOSA-N 364.453 2.992 0 50 FFAA C[C@@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1 91829928 YMSJSBLMVZUIFA-KRWDZBQOSA-N 367.497 2.517 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 91656600 VWCXDOVFDMZGFC-HXUWFJFHSA-N 353.422 2.999 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCCOCC3)c2C1 180158873 WVHKTGNRVBPXMK-OAHLLOKOSA-N 353.466 2.912 0 50 FFAA CCc1cc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)on1 91391389 FVGSUIZUGVFJSU-UHFFFAOYSA-N 352.394 2.568 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCc4onc(C(=O)N(C)C)c4C3)oc2c1 91526177 RIJBXVABIZRBSS-UHFFFAOYSA-N 367.405 2.938 0 50 FFAA COc1cccc(OC)c1CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95355224 VQUHXFZMICGMNJ-DYESRHJHSA-N 355.434 2.674 0 50 FFAA CC[C@H]1c2ccsc2CCN1C(=O)COc1cccc2c1NC(=O)CO2 180753012 PTEJJRSVXBGFHF-ZDUSSCGKSA-N 372.446 2.994 0 50 FFAA CN(C)Cc1ccc(CSCCN2C[C@]3(CCOC3)CCC2=O)o1 91665328 PNKKDFKJVNBLRP-GOSISDBHSA-N 352.500 2.604 0 50 FFAA Cc1c([C@@H](C)NC(=O)C2(C(N)=O)CC2)cnn1-c1cccc2ccccc12 91434325 SPEAZPBECYPUFL-CYBMUJFWSA-N 362.433 2.777 0 50 FFAA Cc1ncnc(N[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)c1C 91665761 IYGDGOFRULMMEE-MRXNPFEDSA-N 368.485 2.846 0 50 FFAA O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1COc2ccccc2C1=O 181582805 ZGTDDIDYJDFZAX-AWEZNQCLSA-N 365.307 2.888 0 50 FFAA COc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F 296943114 QSIHYRJDNCUJLA-IUODEOHRSA-N 358.435 2.620 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@@H]1[C@@H]3C4C=C[C@@H]5C([C@@H]5C=C4)[C@H]3[C@@H]21 252427228 XQNVACDZHJISQC-YMPJIBHTSA-N 350.414 2.541 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C 252570818 XHWXPZDXQWOXDW-OAHLLOKOSA-N 363.425 2.528 0 50 FFAA CC(C)CN1CCN(C(=O)c2ccc(-c3ccncc3N)cc2)[C@H](C)C1=O 534666121 VHTADHXDHSIFGP-OAHLLOKOSA-N 366.465 2.660 0 50 FFAA CC[C@@H](C)C(=O)C(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 299766353 CZFZKJISMHLTAG-ABAIWWIYSA-N 373.840 2.832 0 50 FFAA CCn1cc(S(=O)(=O)N(C[C@H](C)N(C)C)c2c(C)cccc2C)cn1 864096684 QAKNSWMXEPSFRM-INIZCTEOSA-N 364.515 2.665 0 50 FFAA C[C@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CCC1(F)F 869012366 OGBQPOVYJUFURL-YDHLFZDLSA-N 372.437 2.678 0 50 FFAA C=CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875386370 OQCMYYICDXFOMA-NVXWUHKLSA-N 358.486 2.979 0 50 FFAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(O)c(F)c2)c(F)c1 1875324709 JRQXQLBCWNUEDH-SECBINFHSA-N 355.362 2.517 0 50 FFAA CC(C)n1ncc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3F)C2)c1Cl 876923268 BWFRNVKLPMVIOK-DZGCQCFKSA-N 350.825 2.823 0 50 FFAA COC(=O)/C=C/CCNC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1C 1875311652 IUZXKWJDXLMKKD-FNORWQNLSA-N 355.438 2.706 0 50 FFAA C[C@]1(O)CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 408299871 WPFHZYWMSWAXPU-WBMJQRKESA-N 358.269 2.738 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1coc(C2CCOCC2)n1 170597780 SWPRIISPLUDIKG-UHFFFAOYSA-N 369.421 2.625 0 50 FFAA Cc1ccccc1CNC(=O)[C@@H](C)N1CC[C@H](CNc2ccccn2)C1 171643101 QRULFPQDBZALTN-QZTJIDSGSA-N 352.482 2.829 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1OC(F)(F)C(F)F)C2 1073383650 MDGFFQHILREEIG-MNOVXSKESA-N 374.334 2.616 0 50 FFAA C[C@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cccc(O)c2)CC1 193814924 FLCMDBZWYPUHCL-QFBILLFUSA-N 361.486 2.819 0 50 FFAA O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1nc2cccnc2s1 193927792 SDYDCLRXTYZENY-MRXNPFEDSA-N 366.490 2.986 0 50 FFAA Cc1noc(C)c1CN1CCCN(C(=O)c2nn(C)c3ccccc23)CC1 1529146059 VUTHAQPVCMODSL-UHFFFAOYSA-N 367.453 2.526 0 50 FFAA Cc1nccn1CC(=O)N1CCCN(Cc2cc3ccccc3o2)CC1 1529159647 WWZPFZPXQXAUMQ-UHFFFAOYSA-N 352.438 2.672 0 50 FFAA O=C(NCCCO)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 5019130 MNJRJVBCZBCRHJ-LGMDPLHJSA-N 358.825 2.610 0 50 FFAA O=C(CCc1ccc(O)cc1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616080123 XZVSYUCJWWXBFM-FPOVZHCZSA-N 366.461 2.609 0 50 FFAA CCn1cc(C(=O)N2CCCN(C/C=C/c3ccc(F)cc3)CC2)cn1 1775983939 WICWSGKAFBMHAY-HWKANZROSA-N 356.445 2.903 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)NCc1[nH]nc2ncccc12 1772816708 ZGQPTUJCWDNJGZ-UHFFFAOYSA-N 351.193 2.960 0 50 FFAA COc1ccccc1N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1 5274278 HSOZJSYLQVDNFP-UHFFFAOYSA-N 352.438 2.639 0 50 FFAA COc1cc(CNCCCSC)ccc1OC[C@H](O)CN(C)C(C)C 12314567 LXFNDNQTQYFWND-QGZVFWFLSA-N 370.559 2.618 0 50 FFAA COc1cccc(CN2CCC[C@](O)(CN3CCC(C(C)C)CC3)C2=O)c1 12472311 HHBYBYAUYIPEKS-QFIPXVFZSA-N 374.525 2.917 0 50 FFAA CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](NC1CCCC1)CC2 14748239 TYTZZBXTNWEJLR-QGZVFWFLSA-N 352.482 2.681 0 50 FFAA Cc1nnc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c2ccccc12 1857718908 ZGTIUCHTKWIWIQ-NXLVEIQXSA-N 361.445 2.511 0 50 FFAA CN(C)c1ncccc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857736495 RIERTHDUCNTOHZ-UHFFFAOYSA-N 361.449 2.779 0 50 FFAA CC[C@@H](C)n1ncc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1C1CC1 329861500 QHVROLYOEVEARH-UKRRQHHQSA-N 368.485 3.124 0 50 FFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 331910991 LTEUTKRRLATFHN-MSOLQXFVSA-N 355.486 2.751 0 50 FFAA CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cn3)CC2)cc1 129149463 XSLYROMZMGFPNJ-UHFFFAOYSA-N 357.841 2.896 0 50 FFAA O=C(NCC1(CO)CCOCC1)c1cc(C2CC2)nc2ccc(F)cc12 151615860 QIBUMDMUKYXVMN-UHFFFAOYSA-N 358.413 2.770 0 50 FFAA COc1ccc(Oc2ccc(S(=O)(=O)NCc3ccnn3C)cc2)cc1 153099573 DMYWXDWJUNLGJH-UHFFFAOYSA-N 373.434 2.700 0 50 FFAA O=C(O)C1CCC(C(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 907881412 PGWMDKMQRZPPLK-MCIGGMRASA-N 371.359 2.702 0 50 FFAA O=C(COc1c(Cl)cc(Cl)cc1Cl)N1CC(n2cncn2)C1 823029613 MSZOQPLSRCUXDH-UHFFFAOYSA-N 361.616 2.701 0 50 FFAA Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908000 AMPIGESEKKDRIL-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA C[C@@H]1C[C@@H]1c1nnc2ccc(=NCCCc3ccnc(C(C)(C)C)n3)[nH]n12 2325750606 JSFRIKKZXZTQPT-HIFRSBDPSA-N 365.485 2.802 0 50 FFAA CCCC(=O)NC[C@@H](C)CN=c1[nH]c2cccc(Br)c2o1 2325868315 WEXSBLWAXJCAFW-SNVBAGLBSA-N 354.248 2.977 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)C1 2325888331 IPMJBQDGKXTKQT-NVXWUHKLSA-N 360.429 2.922 0 50 FFAA COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(C)=O)n2C 2362611 JTMRPFNQGDZVLT-UHFFFAOYSA-N 366.421 2.513 0 50 FFAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2ccccc2c1 2457908 WKJQISOIJSLUFS-UHFFFAOYSA-N 366.398 2.623 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)CCn2nc(C)c(C)c2C)C1=O 2356151508 LJUWAHMHLVBYCO-HXUWFJFHSA-N 360.502 2.592 0 50 FFAA CCCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C(=O)OC)c1C 2764255 ZTSJPFFLRLSVSI-JTQLQIEISA-N 355.412 2.527 0 50 FFAA Cc1cc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)no1 100559572 WJLRYFFGIIVKOX-PYTWLRIVSA-N 363.373 2.547 0 50 FFAA CCOCCC(=O)NCc1ccc(I)c(Cl)c1 225718233 KXOJVKVHVYENTC-UHFFFAOYSA-N 367.614 2.987 0 50 FFAA COc1ccc(Oc2ccc(C(=O)NC[C@H](O)c3nccn3C)cc2)cc1 55284820 FUWHZPNQGRKCNE-SFHVURJKSA-N 367.405 2.684 0 50 FFAA O=C(NCCCn1ccccc1=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 57588176 QUAOEZWONFEGKK-UHFFFAOYSA-N 356.813 2.712 0 50 FFAA CC[C@@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C[C@@H](C)O1 247730153 UISCAOKXNYELDB-CSMYWGQOSA-N 352.862 2.933 0 50 FFAA C[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cc2ccccc2o1 248382893 YLYBZFQBJXNDHE-NWANDNLSSA-N 352.390 2.561 0 50 FFAA Cc1cc(C)c(NC(=O)CCC(=O)NCCNc2cccnc2)c(C)c1 55167313 YFPMDYHMJXTOFN-UHFFFAOYSA-N 354.454 2.954 0 50 FFAA O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1Cc2ccccc2C1 54263576 AIDMXBIYWKIOEP-UHFFFAOYSA-N 369.896 2.746 0 50 FFAA Cc1ccc(N[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C 20600610 JRTKMTINRLOFAD-KRWDZBQOSA-N 362.499 2.909 0 50 FFAA Cc1n[nH]c(C)c1Cc1nc(C2CC2)nn1-c1ccc2c(c1)OCCO2 67540339 ZTQXNFWNXCYHEM-UHFFFAOYSA-N 351.410 2.847 0 50 FFAA CN(C)c1nc(Cl)c(CN2CCN(C3CCCC3)[C@@H](CCO)C2)s1 20514049 MJYKJGILFCLAKK-AWEZNQCLSA-N 372.966 2.674 0 50 FFAA Cc1scc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)c1-c1ccccc1 67725377 HORVAOKNBFJGTN-WBVHZDCISA-N 371.506 2.790 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nc(O)n1 1506399151 KSCQQXBAEACDBL-QGZVFWFLSA-N 359.401 2.734 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1c1cccc(F)c1F 119770300 GUUXKCXOTMLKEK-VXGBXAGGSA-N 364.421 2.642 0 50 FFAA COC[C@H](NC(=O)Nc1nnc(-c2cccs2)s1)c1ccnn1C 23506071 TZQVMDRKBFMLDC-VIFPVBQESA-N 364.456 2.509 0 50 FFAA COc1cccc(-c2noc3c2CN(C(=O)C(=O)c2ccco2)CC3)c1 12469145 PBRCZJMXUSAUKY-UHFFFAOYSA-N 352.346 2.711 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2ncc(C)s2)n1C 328625909 LCKVTQFRWOQXES-HNNXBMFYSA-N 360.483 2.794 0 50 FFAA COc1ccc2cc(OCc3nc4c5cnn(C)c5ncn4n3)ccc2c1 2800384 GXFUUTQAHMVQLK-UHFFFAOYSA-N 360.377 2.752 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccccc2F)C1 71746976 HVUOJHCSMGOYBQ-CQSZACIVSA-N 353.401 2.748 0 50 FFAA OC1(c2ccc(F)cc2)CCN(Cc2cn(-c3ccccc3)nn2)CC1 215226162 NOWAWYAQMLIISZ-UHFFFAOYSA-N 352.413 2.890 0 50 FFAA COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccccc2Cl)c1 71764271 VHWUHUUDLPYQTF-UHFFFAOYSA-N 369.826 2.630 0 50 FFAA O=C1NCCN(S(=O)(=O)c2cccc3ccccc23)[C@@H]1c1ccccc1 437206375 KRRPSQIOXPZFGN-LJQANCHMSA-N 366.442 2.702 0 50 FFAA C[C@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C[C@H](C)N1 153554830 NOTOAFMIJJYEJC-RYUDHWBXSA-N 369.387 2.655 0 50 FFAA CC[C@@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CC[C@@H]1c1ccccc1 236973262 WWHUBHRWHKVSTE-APWZRJJASA-N 367.497 2.859 0 50 FFAA Fc1cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)cc(F)c1N1CCOCC1 333880307 UHFLIRYPUSSUGK-JMSVASOKSA-N 363.364 2.886 0 50 FFAA CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1(O)CCC1 448817044 VFMFUBJAWBHFOU-UHFFFAOYSA-N 358.404 2.901 0 50 FFAA COCC1(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CCC1 71776368 PDDXUPDHVJZRCO-XUVXKRRUSA-N 354.494 2.892 0 50 FFAA CN1CCO[C@@H](C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)C1 174041186 WTRWVBHDZPEXKC-QGZVFWFLSA-N 372.375 2.777 0 50 FFAA O=C(COc1ccc(Cl)c2ccccc12)N[C@@]1(C(=O)O)CCSC1 262146069 LIOQHWJDTYTDQU-KRWDZBQOSA-N 365.838 2.949 0 50 FFAA COC[C@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72120798 ONSAHSMRMMIODO-SFHVURJKSA-N 366.505 2.850 0 50 FFAA NC(=O)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1 36366203 OOERNAGPSDPGOP-INIZCTEOSA-N 362.389 2.860 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@]4(CN(C)C(=O)O4)C3)CCCC2)cc1 215439888 OEUNJXCUINWDBD-FQEVSTJZSA-N 372.465 2.950 0 50 FFAA CCC[C@@H]1COCCN1Cc1c(C(=O)N2CCCC2)nc2sccn12 71760398 ILDIHVXBHLFDGH-CQSZACIVSA-N 362.499 2.633 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)[nH]n1 223342721 ULRBTQXVVUCCHZ-MOPGFXCFSA-N 357.454 2.712 0 50 FFAA Cc1ccc(OCC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1 82099342 LIIFJFJUYZACMA-UHFFFAOYSA-N 370.497 2.748 0 50 FFAA COc1cc2nc(-c3cccc(C(=O)N4CCC4)c3)nc(N)c2cc1OC 426545178 YCZILSYASJMYGG-UHFFFAOYSA-N 364.405 2.742 0 50 FFAA C[C@H]1CN(c2ccccc2-c2ccccc2)C(=O)CN1C(=O)c1cc[nH]n1 82108582 FXGHQOBZTSGDLA-HNNXBMFYSA-N 360.417 2.954 0 50 FFAA CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 97578699 WCUSFSSSPFCVQM-QGZVFWFLSA-N 361.486 2.528 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(C(=O)C2CC2)CC1 91707162 NLNUWFZMDKRHHS-LJQANCHMSA-N 356.466 2.837 0 50 FFAA O=C(c1ccc(Cl)c(NC(=O)N2CCC[C@H]2CO)c1)N1CCCCC1 96141947 SYMFDZGTOXRMOJ-AWEZNQCLSA-N 365.861 2.955 0 50 FFAA Cc1cc(C)cc(N2CCN(c3nc4c(s3)c(C)nn4C)CC2=O)c1 95526789 XEGALYDGDSICSU-UHFFFAOYSA-N 355.467 2.808 0 50 FFAA CCN(CC)C(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91476769 GQZMMJJJDYPPET-UHFFFAOYSA-N 372.513 2.791 0 50 FFAA Cc1ccc(CCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)cc1 426689308 SKGTUARETWWARC-KRWDZBQOSA-N 354.454 2.576 0 50 FFAA C[C@@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1cn2ncsc2n1 91644583 CQADSDCDIWYYJR-LLVKDONJSA-N 365.422 2.815 0 50 FFAA Cc1cnccc1NCCNC(=O)Nc1ccc(C(=O)N(C)C)cc1C 97773157 XBDFZBCKJIBBAZ-UHFFFAOYSA-N 355.442 2.634 0 50 FFAA COc1cccc(-c2ccc(NC(=O)N3C[C@H](N(C)C)C[C@H]3CO)cc2)c1 95512040 RSSSXQQNSJMSCA-MOPGFXCFSA-N 369.465 2.891 0 50 FFAA Cc1ccccc1Cn1ncnc1-c1ccc(C(=O)N2CCOCC2)cc1 95359611 CUQYMBGWUMCPJH-UHFFFAOYSA-N 362.433 2.774 0 50 FFAA CC(C)(C)c1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)[nH]n1 95526929 SYSKVHKHDFHUJT-FOIQADDNSA-N 355.438 2.770 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(CCOc3ccccc3)C[C@H]21 95504997 FJKMXJMQDRNIRG-TZIWHRDSSA-N 355.434 2.545 0 50 FFAA COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1O 91745579 ZHXMHPSUVHPTCP-DLBZAZTESA-N 367.449 2.532 0 50 FFAA CCc1nnc(CN2CCC[C@H](c3nccn3Cc3cscn3)C2)o1 95356397 CVMKVDZEMGLLCU-ZDUSSCGKSA-N 358.471 2.713 0 50 FFAA CS[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 92028363 ACISIKUYJUXNSA-HNNXBMFYSA-N 361.511 2.564 0 50 FFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 91871585 LAHFWHNKBCMOKW-UHFFFAOYSA-N 364.405 2.965 0 50 FFAA CCCc1cncnc1N1CCC(NC[C@H]2COc3ccccc3O2)CC1 95512160 CXRIDRVFBNCNSH-SFHVURJKSA-N 368.481 2.828 0 50 FFAA CCn1ccnc1CNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 298261067 ZTUHMXMJGNQEPX-KURKYZTESA-N 354.454 2.617 0 50 FFAA CSc1ncc(C(=O)O)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 534633688 IXPBHABLKIJPOS-GFCCVEGCSA-N 359.451 2.957 0 50 FFAA O=C(CCCc1ccc(F)cc1)N1CC[C@@H](O)[C@](CC2CC2)(C(=O)O)C1 1940197977 FKTNHFVVUGIGSA-YLJYHZDGSA-N 363.429 2.613 0 50 FFAA Fc1cc(F)cc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299785071 IZLJQUJEYJYAPI-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCC(=O)Nc1nncs1 828005520 HFGSFHFFFQSTMQ-ZDUSSCGKSA-N 374.466 2.984 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)NCC[C@@H](C)N2CCCC2)CC1 584892617 FABJQRLFYODOGY-LJQANCHMSA-N 358.530 2.697 0 50 FFAA CN1CCCCC[C@H]1c1nc(COc2cccc(F)c2)nn1CCCO 670437249 DYHVUWJJONHAMA-KRWDZBQOSA-N 362.449 2.926 0 50 FFAA CCn1nc(C(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)cc1C1CC1 1875395709 JLJQASDOFGUBGQ-XDHUDOTRSA-N 350.488 2.596 0 50 FFAA O[C@H]1CC2(CCN(Cc3cnccn3)CC2)Oc2cn(C3CCCC3)nc21 1875393109 GLAFGMZXMWUKGX-KRWDZBQOSA-N 369.469 2.639 0 50 FFAA O=C(N=c1cc2n([nH]1)CCC2)[C@H](c1ccccc1)n1cnc2ccccc21 1875302485 SATOUTBBVZOZHD-FQEVSTJZSA-N 357.417 2.829 0 50 FFAA O=C(N[C@H]1CCC[C@@H]1C1CCCC1)C(=O)N1CCC(c2ccncn2)CC1 1875307617 GEYHPNOHYNKUIR-MJGOQNOKSA-N 370.497 2.658 0 50 FFAA Cc1c([C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[C@@H]3C3CC3)CC(=O)N2C)cnn1C 1875274170 PLGNLDGHHNSRIE-WWNBULGVSA-N 372.513 2.581 0 50 FFAA Cc1cc(NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)nc(C2CC2)n1 952848935 CTRBUWNXVORIIH-RRFJBIMHSA-N 355.442 2.889 0 50 FFAA Cc1cccc(-n2cc(CN[C@@H]3C[C@@H](Cn4ccnc4)C[C@H]3O)c(C)n2)c1 1875400026 PGBKUJZYJOXLCP-DUXKGJEZSA-N 365.481 2.615 0 50 FFAA COc1cccc(CCC(=O)NC[C@@H]2CCCN(C(=O)C3CC=CC3)C2)c1 952988493 QBNZZVAOTUZKKY-SFHVURJKSA-N 370.493 2.949 0 50 FFAA Cc1ccc([C@H](O)CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886068662 HGCIZYJWLZENND-LEWJYISDSA-N 355.482 2.638 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1coc2ccccc12 1565506590 SDAFNZCIXHALGV-HKUYNNGSSA-N 352.390 2.932 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 195328872 CZBZPIKSDBMBRF-HXUWFJFHSA-N 371.525 2.977 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCCC3)C2)OCC(=O)N1C 1529098319 ABUBKKSOHRADSI-MOPGFXCFSA-N 356.466 2.686 0 50 FFAA CC(=O)c1cc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n(C)c1 1615950153 IERMNLXLVLCNKA-GCJKJVERSA-N 363.461 2.811 0 50 FFAA NC1CCN(C(=O)CCOc2ccc(Cl)cc2Br)CC1 237864254 HIORYJWCWQHGGU-UHFFFAOYSA-N 361.667 2.821 0 50 FFAA COc1cc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc(OC)c1 1616078167 JTVTUWYVQUCQTM-UGKGYDQZSA-N 368.477 2.962 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772818966 CTQIJEMXRZDLJR-IBGZPJMESA-N 374.824 2.640 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)n1 11873586 MUSWEDBNODARTL-SFHVURJKSA-N 374.529 2.968 0 50 FFAA COCCC(=O)N1CCC[C@@H](CNC(=O)c2cccc3ccccc23)C1 11956180 NREHFOWCLVIDDR-INIZCTEOSA-N 354.450 2.845 0 50 FFAA O=C1O[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]2N1CCN1CCCCC1 11998394 GSXFCIDDGYSDLF-LSDHHAIUSA-N 369.918 2.892 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 12298380 WDRSGUUUUFVUKF-LJQANCHMSA-N 360.498 2.919 0 50 FFAA O=C(C1CCOCC1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12746346 LRYQSGRVJRVLGB-NRFANRHFSA-N 374.456 2.593 0 50 FFAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 12865586 BXFAHQWSCKEROJ-UHFFFAOYSA-N 361.419 2.894 0 50 FFAA COCCNc1nc(CN2CCCC[C@@H]2C(=O)OC)nc2c(C)cccc12 14991864 KZNHSOKWIPIBRU-MRXNPFEDSA-N 372.469 2.524 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(F)cc3)C2=O)cc1 19533492 WAOZUKVCJJZWQH-GOSISDBHSA-N 356.397 2.689 0 50 FFAA Cc1cc(F)ccc1NC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3 169760199 HDMPHYQGILGNPE-UHFFFAOYSA-N 368.412 2.851 0 50 FFAA O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857731367 QHHTXTDDRAFFHF-XGWLTEMNSA-N 360.845 2.621 0 50 FFAA CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc(-c3ccccc3F)s1)CC2 114864047 OJEAWMWISWLHNH-NSHDSACASA-N 371.441 2.848 0 50 FFAA COc1cc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)ccc1Cl 333293312 OXECXEHDHNKISR-HOCLYGCPSA-N 352.862 2.707 0 50 FFAA COc1ccc2c(c1)[C@H](NC1CCN(c3ncccn3)CC1)CCCO2 375535320 ZXAOVPGAWUCVQC-GOSISDBHSA-N 354.454 2.958 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3c(C)nc4sccn34)C1)CC2 1704297634 UTGGIAUNWHDUPD-IBGZPJMESA-N 367.478 2.923 0 50 FFAA C[C@H](N[C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc2ncccc12 905851946 AVNRUHFLXJNYTI-GDIGMMSISA-N 370.522 2.731 0 50 FFAA Cc1csc(CNc2cccc(C(=O)N3CC(=O)NC[C@@H]3C(C)C)c2)n1 2325796818 RHHKLOOJGHHDMA-MRXNPFEDSA-N 372.494 2.660 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC([C@H](O)c3ccccc3C)CC2)C1 2325889455 RCSHEFHRPJMVJJ-RXVVDRJESA-N 370.493 2.692 0 50 FFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Br)cc1 1232468 DQBQQPZFRYBNBF-ZDUSSCGKSA-N 353.216 2.982 0 50 FFAA COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)cc1Cl 246982970 OXZOIKIAWIJBPW-GOEBONIOSA-N 351.878 2.974 0 50 FFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 55036829 AEXADWQMWQODRK-LJQANCHMSA-N 373.497 2.608 0 50 FFAA Cc1nc2sccn2c1CN1CCN(Cc2ccccc2)[C@@H](CCO)C1 20452004 QYNBWCXZZJHPJF-SFHVURJKSA-N 370.522 2.773 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)cc1 67695562 QHSAEVBIXUVCMP-NRFANRHFSA-N 356.441 2.512 0 50 FFAA Cc1ccc(-c2ccnc(NCc3cccnc3-n3cncn3)n2)c(C)n1 71776264 VYYOGGOYXINXBF-UHFFFAOYSA-N 358.409 2.743 0 50 FFAA CC[C@@H]1C=CCN1C(=O)C1(Oc2ccc3ncccc3c2)CCNCC1 65405306 OQGPKORPTANPLK-QGZVFWFLSA-N 351.450 2.913 0 50 FFAA CN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12595151 YXSVINOCPDMRKY-MRXNPFEDSA-N 358.413 2.858 0 50 FFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3ncccn3n2)CC1 2788388 GGYPUNRAYONPMT-UHFFFAOYSA-N 355.829 2.654 0 50 FFAA CC[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 328589554 LJADEDROBJSJQO-ONBNRTMESA-N 354.560 2.853 0 50 FFAA CC(C)c1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77299283 FQRIUXCHEUNEJS-NRFANRHFSA-N 370.497 2.855 0 50 FFAA COc1ccc(CN2CCN(C(=O)CCCc3ccccc3)CC2=O)cc1 77505405 MEFRJYXTMFZUNH-UHFFFAOYSA-N 366.461 2.889 0 50 FFAA O=S(=O)(/C=C/c1ccccc1)N1CCn2c(nnc2-c2ccccc2)C1 173243243 VTOOADZZGGXJES-SDNWHVSQSA-N 366.446 2.761 0 50 FFAA O=C(NCC[C@@H]1C(=O)Nc2ccc(F)cc21)c1cc2ccccc2c(=O)o1 239475380 ANWFMIAJXKYMBO-AWEZNQCLSA-N 366.348 2.788 0 50 FFAA Cc1cc(C(=O)N2CCNC[C@@H]2c2cccc(F)c2)c2c(C)noc2n1 261716492 DXYLNCMHCIWMFR-MRXNPFEDSA-N 354.385 2.765 0 50 FFAA Cc1ccc(NC(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)cc1C(=O)N1CCCCC1 333346830 QSYZKXCVHKSLBR-IPELMVKDSA-N 370.497 2.822 0 50 FFAA CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@H]1CCNC1 237199942 LCGUNBARSNWELB-SFHVURJKSA-N 354.450 2.712 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 72474000 XKLMIKXTUNFZTD-KRWDZBQOSA-N 368.543 2.582 0 50 FFAA O=C(O)[C@H]1c2[nH]cnc2CCN1Cc1ccc(OCc2ccccn2)cc1 72440334 IFSBUZXKOBWXLK-LJQANCHMSA-N 364.405 2.568 0 50 FFAA Cc1cc(NC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cn2ccnc12 333676100 OMZCIFYFXIHQQD-ZWKOTPCHSA-N 371.485 2.532 0 50 FFAA O=C(N[C@@H](c1cccs1)C1CC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 333952719 CSEWTDRAJLXJIY-NVXWUHKLSA-N 368.524 2.810 0 50 FFAA CC(C)OCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72158251 NSBVPZCKXTZFKJ-CDHQVMDDSA-N 364.436 2.778 0 50 FFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCCc1cccc(O)n1 426538235 ACJQPBJTPOFJSV-UHFFFAOYSA-N 363.417 2.694 0 50 FFAA O=C([C@@H]1CC12CCNCC2)N1CCCN(CCCc2ccccc2)CC1 82091535 NFRHREMPQOQGCN-FQEVSTJZSA-N 355.526 2.543 0 50 FFAA Cc1ccc2nc(COc3cccc(C(=O)N4CC[C@@H](CN)C4)c3)cn2c1 178537533 IZUMKZKFOQBKSG-INIZCTEOSA-N 364.449 2.643 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N(C)CCc3noc(C4CC4)n3)nc2c1 223939841 QBEQSSUDNOUTJC-UHFFFAOYSA-N 371.466 2.925 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1c[nH]nc1C1CCCCC1 223798322 MKWXHOLAADRFCE-IAGOWNOFSA-N 370.453 2.819 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)n(C)n1 20606058 WLZIZSDOHXDWDQ-UHFFFAOYSA-N 358.486 2.601 0 50 FFAA O=C(CN1C(=O)COc2cccnc21)N(CCC1=CCCCC1)CC1CC1 95504670 ZPHMRDLGHOASHQ-UHFFFAOYSA-N 369.465 2.936 0 50 FFAA CC(=O)N1CC[C@]2(O)CCN(Cc3ccc(F)c(C(F)(F)F)c3)C[C@@H]2C1 95362265 AICXCQRXFKVHMM-RHSMWYFYSA-N 374.378 2.650 0 50 FFAA CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](N(C)C)C2)c1 96166594 JHZOUXZDDQWSAV-CYBMUJFWSA-N 352.866 2.646 0 50 FFAA COc1cccc(C(=O)NCc2cnc3ccccc3c2)c1OCCCN 426395927 IBBSQTPNRKMSCU-UHFFFAOYSA-N 365.433 2.901 0 50 FFAA Cc1nc(CNC(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)no1 95390584 NFMPIYLOBXWFIG-UHFFFAOYSA-N 351.341 2.762 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cc(-c2ccccc2O)n[nH]1 96139939 VCLPADZICLQTAR-QGZVFWFLSA-N 353.426 2.824 0 50 FFAA c1cn2nc(N3CCN(Cc4ccc([C@@H]5CCCCO5)o4)CC3)ccc2n1 97601122 SAXODNWFEFVIHR-KRWDZBQOSA-N 367.453 2.886 0 50 FFAA Cc1c(C(=O)N2CCN(C3CCSCC3)CC2)c2cc(O)ccc2n1C 97785198 ASZMLSWWJAEPOV-UHFFFAOYSA-N 373.522 2.846 0 50 FFAA COc1cccc([C@H]2[C@@H](C(=O)Nc3ccncc3)CC(=O)N2C2CC2)c1 183209991 KHTATHVJZDYKJN-HKUYNNGSSA-N 351.406 2.781 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cccc(-c4nccc(N)n4)c3)C2)n1 534636282 KMQRRWQXPHSEMU-QGZVFWFLSA-N 362.437 2.626 0 50 FFAA Cc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)n(C2CCCC2)n1 299793038 IXBZHAYSUJYQKX-KRWDZBQOSA-N 363.506 2.881 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)NCc3ccc4sccc4c3)cc2C1 65382466 NFJWOEJMNDAYJD-UHFFFAOYSA-N 368.462 2.780 0 50 FFAA COc1c(Cl)cc(C(=O)NCCn2c(C)cc(C)nc2=O)cc1Cl 824517594 CAEKFDSSUDKNFD-UHFFFAOYSA-N 370.236 2.606 0 50 FFAA O=C(c1cc(C2CC2)no1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848334 KZIXYUPVOHPCRP-KGLIPLIRSA-N 353.426 2.813 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1n[nH]c3c1C[C@H](C)O[C@@H]3C)CC2 1875288712 ZBZKRXXNZBIKLT-NWDGAFQWSA-N 371.437 2.648 0 50 FFAA CCN(C)C(=O)N[C@@H]1C[C@]2(C[C@H]1O)CN(Cc1ccccc1)[C@H]2C(C)C 1875339562 OOTVNCNKJFQMPG-BNDYYXHWSA-N 359.514 2.698 0 50 FFAA Cc1cc(N2CC[C@H](C3CC3)[C@@H]2c2nnc(O)n2C)c2c(C)noc2n1 1875400292 WCFTZHRNQGTIKT-IUODEOHRSA-N 354.414 2.651 0 50 FFAA O=C(CCc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H](O)C12CCOCC2 887005509 GUFDYLRANBAPQZ-HUUCEWRRSA-N 357.372 2.684 0 50 FFAA Cc1ccc(NC(=O)CN2CCC(C)CC2)cc1NC(=O)CCN(C)C 185847533 LUZPDWJBKBJISD-UHFFFAOYSA-N 360.502 2.556 0 50 FFAA CN1CCN(C(=O)c2occc2-c2ccccc2)C[C@H]1c1nccn1C 276826860 XWHRHUGJWAYHIV-KRWDZBQOSA-N 350.422 2.809 0 50 FFAA COc1cccc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 171824851 RWVMNTJYDMTMFJ-UHFFFAOYSA-N 359.857 2.631 0 50 FFAA Cc1csc(C2CCN(C(=O)c3c(C)nn(C)c3-n3cccn3)CC2)n1 188996640 BIDAVIRWSCZHES-UHFFFAOYSA-N 370.482 2.699 0 50 FFAA O=C(O)c1csc(CCNC2CCN(c3ccc(F)c(F)c3)CC2)n1 1506398485 CHQAEKKUGFVXCH-UHFFFAOYSA-N 367.421 2.921 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 1506419117 XXZCPQUWAQMSLI-UHFFFAOYSA-N 365.433 2.767 0 50 FFAA CC(C)(C)C(=O)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 213057024 OCZIWJORMJPULB-CABCVRRESA-N 350.846 2.960 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3cncc(C)n3)CC1)OCC2 1704325679 PIJIYNFRIXMBMW-UHFFFAOYSA-N 355.438 2.871 0 50 FFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 1704338685 XBVFFMUMIWLKQD-IAGOWNOFSA-N 358.404 2.864 0 50 FFAA Cc1ccsc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704338540 FMOBCTXEGYAGDR-HNAYVOBHSA-N 359.447 2.577 0 50 FFAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 1115573 JYGSEHQRQPLWMG-JTQLQIEISA-N 363.211 2.954 0 50 FFAA COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)N1CCCC1 1118236 QJKYLUFBFUTOSK-UHFFFAOYSA-N 362.495 2.858 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)no1 12444806 JVXWLXDVCQARFD-OAHLLOKOSA-N 367.453 2.547 0 50 FFAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 12587580 JDPVHJUEHLBUOY-FQEVSTJZSA-N 359.514 2.569 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CNCc1ccccc1C(F)(F)F 12750481 NALULMMRAMKJBV-KRWDZBQOSA-N 356.388 2.559 0 50 FFAA COc1ccc2[nH]cc(CCN3C[C@H](C(=O)NC4CCCC4)CC3=O)c2c1 12863220 AOBSTSVXNMOUOG-OAHLLOKOSA-N 369.465 2.626 0 50 FFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccc(O)cc1)CC2 14535684 RPAMLTRGPDLLEQ-UHFFFAOYSA-N 355.438 2.734 0 50 FFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 19211547 KQDXQPAYJJOSPX-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA CCCNC(=O)N1CCC[C@]2(CCc3c(O)nc(-c4cccnc4)nc32)C1 1857693253 OLPSFYAIGHBNCX-FQEVSTJZSA-N 367.453 2.644 0 50 FFAA O=C(c1n[nH]cc1Cl)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857713341 VQWALDISVCZFKI-WMZOPIPTSA-N 374.872 2.741 0 50 FFAA Cc1cc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)ncn1 1857716701 PIEGATKECKBEDJ-UHFFFAOYSA-N 374.448 2.827 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)nc2ccccn12 1857739732 QGMWTSVFDINDEJ-OAHLLOKOSA-N 360.421 2.705 0 50 FFAA C[C@H]1N(Cc2cc3c(cc2Cl)OCO3)CCC[C@@]12CCCNC2=O 1875244757 SPMNFOXUONJOMM-XIKOKIGWSA-N 350.846 2.949 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@@H]1c1ccccc1 213390209 FPUZHNGVSXLWAB-SJORKVTESA-N 363.417 2.753 0 50 FFAA COc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c(OC)cc1Cl 629992 BBBLGNDYZZMVSP-UHFFFAOYSA-N 361.737 2.856 0 50 FFAA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(O)c2)NC(=O)N1 844395 UVGPLMAJAGVRNA-SFHVURJKSA-N 352.390 2.806 0 50 FFAA C[C@@]1(C(=O)NCc2nnc3ccccn23)CC(c2ccccc2Cl)=NO1 225797986 HTSDJMKQUIOURV-SFHVURJKSA-N 369.812 2.582 0 50 FFAA Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 1875264732 ZGYVBYXKSKZJBI-OAHLLOKOSA-N 355.442 2.513 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)c2ccccc21 1704342891 GEGHNHFXQMAFQU-OAQYLSRUSA-N 361.449 2.671 0 50 FFAA Cc1ccc2nc(O)c(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc2c1 1704303102 JAQQFNAVHWBXSQ-TZIWHRDSSA-N 355.482 2.527 0 50 FFAA Cc1ccc2cccc(S(=O)(=O)N3CCC=C(c4cnn(C)c4)C3)c2n1 907364992 QBMNLEDJFKFLHG-UHFFFAOYSA-N 368.462 2.755 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)n1 823745496 KXROZNBAEYDONK-AWEZNQCLSA-N 366.339 2.543 0 50 FFAA CC(C)C1=NO[C@H](c2nc(-c3ccc(Cn4cnnc4)c(F)c3)no2)C1 2325783650 QUDNLGZRCMZSPF-HNNXBMFYSA-N 356.361 2.989 0 50 FFAA CC(C)n1cnc(C(=O)N(C)C2CC(NC(=O)[C@H]3CCCC34CC4)C2)c1 2325794577 IPFNARBIROTFSO-UYSNPLJNSA-N 358.486 2.764 0 50 FFAA CCOc1ccc(C)cc1S(=O)(=O)Nc1cc2[nH]nnc2cc1F 2325841147 GBFURIIYUQPGTG-UHFFFAOYSA-N 350.375 2.605 0 50 FFAA Cc1ncn(CCNS(=O)(=O)c2cc3cc(F)ccc3s2)c1C 2325856703 ZUAKLHBYFMDZME-UHFFFAOYSA-N 353.444 2.832 0 50 FFAA COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)c1 2480342 BTRDKBOAHPBECE-HNNXBMFYSA-N 364.467 2.838 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1O 2356150356 YGLYCQWHRPPRMX-NRFANRHFSA-N 374.481 2.725 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 2356156460 COFPMIUJXSPNJC-SFHVURJKSA-N 367.873 2.950 0 50 FFAA CNC(=O)[C@]1(C)CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 225489544 DCDIZAYHVKSMRT-LJQANCHMSA-N 356.401 2.563 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21 225439178 IHORXHJGKQCJPP-IIDMSEBBSA-N 356.495 2.612 0 50 FFAA COc1cc(CN2CCN(CC(C)C)[C@H](CCO)C2)cc(Cl)c1O 104507964 NAPHTFCSQSXAHK-OAHLLOKOSA-N 356.894 2.579 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 9620322 QVESQVDHOTXYJY-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA CCCCN(Cc1ccccc1F)C(=O)Cn1nc(Cl)ccc1=O 55088208 CFMRLVXABQOJDQ-UHFFFAOYSA-N 351.809 2.865 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 20426810 YZERBHLVPUBWNC-UHFFFAOYSA-N 351.381 2.630 0 50 FFAA CCCCn1ncc2c1NC(=O)C[C@@H]2c1cc2c(cc1OC)OCCO2 65407681 YXNKTTXKPWKMLB-GFCCVEGCSA-N 357.410 2.937 0 50 FFAA Cc1ccc(OCCOCCNCCN2CCOCC2)c(C(C)(C)C)c1 20482383 UKHHQBBPBHSTTP-UHFFFAOYSA-N 364.530 2.610 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 65363419 ZYPYZRLYOCNCIW-UHFFFAOYSA-N 359.470 2.658 0 50 FFAA Cc1nc(NCCN2CCc3ccccc3C2)cc([C@@H]2CCCNC2)n1 67907961 XIRHIIOYMCUUJE-GOSISDBHSA-N 351.498 2.722 0 50 FFAA O=C(c1cnc[nH]c1=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 67834485 FXXVQFDMVWFNOR-UHFFFAOYSA-N 372.384 2.777 0 50 FFAA Cn1ccnc1-c1ccc(N2CCC([C@H](O)Cc3ccccc3)CC2)nn1 67726799 FVUCGJMEZYGDGC-LJQANCHMSA-N 363.465 2.697 0 50 FFAA O=C(c1ccco1)N1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 12208257 PRWZQLPXWLLBIV-OAQYLSRUSA-N 352.434 2.977 0 50 FFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@H](C)Cn1cc(Br)cn1 2794429 CMEJXKXZLYOCRN-SNVBAGLBSA-N 366.215 2.927 0 50 FFAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1cccc(Cl)c1F 328626929 MEYZJEDWXXHXID-NSHDSACASA-N 357.838 2.559 0 50 FFAA CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)/C=C/c1ccccc1Br 253423050 DVCDIMONUYYBML-JTMKOSTRSA-N 370.287 2.737 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)Cc2cccs2)[C@@H]1c1cnn(C)c1 328640531 XKJSRXOJKDLPCS-HNAYVOBHSA-N 360.527 2.956 0 50 FFAA CN1CCCN(C)C2(CCN(Cc3ccc(CCC(C)(C)O)cc3)CC2)C1 72418918 JQSZYWOHHYPOMM-UHFFFAOYSA-N 373.585 2.992 0 50 FFAA O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC[C@H]2c2ccccc2)C1 329591275 ZWXUDSBOPDILLJ-IBGZPJMESA-N 370.474 2.678 0 50 FFAA CCn1cc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c2ccccc21 363219810 WCMHXVFMHRQIQK-KRWDZBQOSA-N 354.498 2.513 0 50 FFAA Cn1nccc1[C@H]1[C@H](NCc2coc3ccccc23)CC(=O)N1C1CC1 486972298 CGZHXKJTPZSBEV-OXQOHEQNSA-N 350.422 2.761 0 50 FFAA CC(C)C[C@H](O)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 72153998 MSRWIJPSWLGOFA-SFHVURJKSA-N 368.481 2.501 0 50 FFAA Cc1ccc([C@@H]2CCN(C(=O)[C@@](C)(O)Cn3c(C)cccc3=O)C2)c(C)c1 332349548 YYTCORHWUDOHFG-GCJKJVERSA-N 368.477 2.541 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CCN1C(=O)COc2ccccc21 156885392 OAYOUTXBPNQJAR-INIZCTEOSA-N 368.437 2.506 0 50 FFAA C[C@H](c1ccccc1)n1nnnc1N1CCC2(CC1)C(=O)Nc1ccccc12 72164687 JCTXUNRZPGQVIQ-OAHLLOKOSA-N 374.448 2.773 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC1 71748334 WUVURMBNYSZFIA-HXUWFJFHSA-N 370.541 2.771 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 184507320 SYSGLAMRUJSPSV-UHFFFAOYSA-N 362.389 2.679 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCN(Cc2cccc(F)c2)CC1 72447848 VKFHLHJEJVCVNO-GOSISDBHSA-N 367.468 2.861 0 50 FFAA Cc1ccccc1Cn1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)nn1 72146330 AWHDWEVGGHQKNZ-FQEVSTJZSA-N 364.449 2.831 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[nH]1 72146079 KYIDRQDAGXULIE-HNNXBMFYSA-N 351.410 2.508 0 50 FFAA CCOc1cc(F)ccc1NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 127860170 APLJMYJQHDDXIW-FPMFFAJLSA-N 362.401 2.727 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCC(Cc2ccccc2)CC1 378411180 UKHRKBYTVFNBCH-CTNGQTDRSA-N 358.482 2.989 0 50 FFAA Cc1cc(C)n(C2CN(Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)n1 215771803 ALLUPFRZBCCRKF-UHFFFAOYSA-N 368.481 2.558 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)CCn1c(=O)[nH]c2ccccc21 216463526 VDDLHUFLQNKLEV-CYBMUJFWSA-N 356.451 2.678 0 50 FFAA Cc1ccc(N(C)S(=O)(=O)c2c(C)cnn2C)cc1Br 285006139 GDHFHXCPZBPBHJ-UHFFFAOYSA-N 358.261 2.625 0 50 FFAA O=S(=O)(NCc1ccccc1)NCc1ccc(-c2ccccn2)s1 71761996 BGBIBYNKSKIBHL-UHFFFAOYSA-N 359.476 2.934 0 50 FFAA CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cn1 286007520 ACTOXTAICLCCSM-LSDHHAIUSA-N 371.441 2.750 0 50 FFAA Cc1ccc(C2(C(=O)N3CCC([C@@H](C)N4CCN(C)CC4)CC3)CC2)cc1 82146773 PLZVWCRHIZAMLU-LJQANCHMSA-N 369.553 2.901 0 50 FFAA CN1CCC(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 222891692 QJXUBHLALRCGOH-OUNSHVDWSA-N 353.466 2.505 0 50 FFAA C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)n1cncn1 178046715 GFNSMSNXJIDQQE-CMPLNLGQSA-N 355.225 2.826 0 50 FFAA CCc1nnc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)s1 91305537 OMFJXTGBPKFUQC-AWEZNQCLSA-N 372.494 2.893 0 50 FFAA CCc1ccccc1N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)C(C)=O 239309141 HFQSYBRTVXCLOS-LXJANLPBSA-N 364.445 2.613 0 50 FFAA CCC[C@]1(CO)CCCN(C(=O)c2cnc(-c3cccnc3)nc2C)C1 91987605 JHHNFWZPRJXRKT-FQEVSTJZSA-N 354.454 2.862 0 50 FFAA c1ccc(Cn2ccnc2[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)nc1 91625958 QHIIOOALGVLANQ-OAHLLOKOSA-N 359.437 2.982 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)Cn2[nH]c3ccccc3c2=O)cc1F 97474876 FNNZIMVBCXDRJO-LBPRGKRZSA-N 357.385 2.745 0 50 FFAA Cc1nc(C2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cc(=O)[nH]1 91643652 ZOAJRFFNLOZBNQ-KRWDZBQOSA-N 351.450 2.904 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)CN(C)Cc1ccccc1F)C2 95379047 RZINGOVYSZTLSL-OAHLLOKOSA-N 372.440 2.634 0 50 FFAA O=C(O)[C@H]1[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)[C@H]2C=C[C@H]1O2 239174379 PXVDFAFAGIMWIF-AAVRWANBSA-N 360.366 2.542 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nnc(-c3ccccc3)o1)C2 95366364 KWDYWYYDLDRIBP-HNNXBMFYSA-N 365.389 2.613 0 50 FFAA CCN(C)C[C@@H]1CN(C(=O)c2ccc(N(C)C)c3ccccc23)C[C@@H]1CO 91644035 YNYCXYYGUMINMB-IAGOWNOFSA-N 369.509 2.538 0 50 FFAA O=C(NCc1ccccn1)C1CCN(Cc2noc(C3CCCC3)n2)CC1 244724100 MNPSMZFZQVNKAR-UHFFFAOYSA-N 369.469 2.651 0 50 FFAA CCc1noc(C)c1C(=O)N[C@@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H](O)C1 244872901 WGPQUHNHXRGGMM-JCGVRSQUSA-N 362.401 2.935 0 50 FFAA CC(C)(O)CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)Nc2ccccc21 182827880 KFAFAEZNXXOGSW-QGZVFWFLSA-N 352.434 2.912 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 299747488 DDWJTYIOFWIFJL-MRXNPFEDSA-N 363.316 2.683 0 50 FFAA CC[C@H](C)[C@@H](C(=O)N[C@H](CO)c1ccccc1)N1Cc2ccccc2C1=O 252585331 HTUOCHWIZUIUTC-BEVDRBHNSA-N 366.461 2.907 0 50 FFAA biogenic C[C@@H]1CC[C@@H](CCC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)O1 299744772 PUHCAAQJQWXZCP-HYSWKAIVSA-N 362.401 2.767 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c2ccccc21 299750015 MKHBBMVXKZFPLJ-HZPDHXFCSA-N 370.380 2.608 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1cccc(-c2nccnc2N(C)C)c1 534637124 LJWKTLHUASZQJO-CQSZACIVSA-N 362.437 2.833 0 50 FFAA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)NCCCc1nc3ccccc3s1)C2 534647208 MVHWWTJEPILTFH-KGLIPLIRSA-N 372.494 2.539 0 50 FFAA COCC1(CNC(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)CC1 534664638 VNXLDZCWAKVUAO-UHFFFAOYSA-N 355.438 2.926 0 50 FFAA O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616922 LFBRPWJLCNUTJN-QGZVFWFLSA-N 370.359 2.758 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)n1C(F)F 299767299 FXLYIZUJBQAWQH-AWEZNQCLSA-N 355.429 2.501 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)c2cnn(C)c2)c1 299788294 YDOQQNRGUDHNGK-JTQLQIEISA-N 365.821 2.541 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)N(C)Cc3ccncc3C)ccc21 299767010 AEIGCUVKGXUIEV-UHFFFAOYSA-N 354.410 2.799 0 50 FFAA CSc1ncccc1C(=O)Nc1cc(C)ccc1NC(=O)CN(C)C 824959582 QHNWUVLLPSEJBP-UHFFFAOYSA-N 358.467 2.864 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NCc3n[nH]c4c3CCCCC4)c2c1 670471211 QACWYTMBJYTVKM-UHFFFAOYSA-N 368.437 2.601 0 50 FFAA Cc1nn(CCNC(=O)c2n[nH]c3c2COc2ccccc2-3)c(C)c1C 1875320928 NVRNRKAIVKFVEI-UHFFFAOYSA-N 351.410 2.521 0 50 FFAA COC(=O)[C@H]1[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)[C@H]2CCCC[C@H]21 1875344679 IRLZZTFSCNKWED-NONVJHHQSA-N 355.438 2.589 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cc1 952973979 IOBYJPIPAWECNI-KRWDZBQOSA-N 361.555 2.714 0 50 FFAA CC[C@@H](C)N(Cc1ccsc1)S(=O)(=O)c1cc(C(N)=O)cs1 952972467 VTNCUDRWJXKCAI-SNVBAGLBSA-N 358.510 2.898 0 50 FFAA Fc1cccc(OCc2nc([C@@H]3CCCNC3)n(-c3ccncc3)n2)c1 952979048 GRPACSPQDAYPAI-CQSZACIVSA-N 353.401 2.847 0 50 FFAA Cc1ccc(CCC2CCN(C(=O)c3cn([C@@H]4CC[C@H]4O)nn3)CC2)cc1 900044032 ABCBVLQLMVJDQS-WOJBJXKFSA-N 368.481 2.767 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC(c3ncc(C)s3)CC2)cs1 278602049 QYYRMTOPCBSSFG-UHFFFAOYSA-N 350.469 2.886 0 50 FFAA Cc1cc(N2C(=O)[C@@H](c3cccc(Br)c3)N(C)C2=O)n(C)n1 170613799 ONZHOXSMVJXBIG-CYBMUJFWSA-N 363.215 2.631 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 907304313 ROOCFGWSICDCKP-OAHLLOKOSA-N 370.371 2.640 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1019203 VABIQKPCCCDSJK-ZWKOTPCHSA-N 356.447 2.916 0 50 FFAA Cc1cc(C[C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)C[C@@H]2O)n[nH]1 1704299325 QKNYDQKAWRXVHL-RNCFNFMXSA-N 360.767 2.825 0 50 FFAA CSc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 1065513 PKWCFEIJQAAPHR-LBPRGKRZSA-N 350.465 2.714 0 50 FFAA O=C(c1ccnc(N[C@H]2CCCN(C(=O)C3CC3)C2)c1)N1CCCCC1 1704343843 FUNNUDSZTCLETD-KRWDZBQOSA-N 356.470 2.521 0 50 FFAA O=C(CSc1ccccn1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 11938439 OVAWJAJHZUQNGI-GOSISDBHSA-N 367.518 2.922 0 50 FFAA O=C(NCc1ccc2nsnc2c1)c1cc(COc2ccccc2)[nH]n1 12207255 QHZUUVGDCCMXKF-UHFFFAOYSA-N 365.418 2.923 0 50 FFAA O=C(CCc1ccsc1)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12224799 SDYPSRIOHSJZTK-QGZVFWFLSA-N 360.454 2.780 0 50 FFAA CC(C)n1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cn1 14949679 VTQOMDMVGMIKDV-IBGZPJMESA-N 362.518 2.751 0 50 FFAA O=S(=O)(Cc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1 16578848 ANZIHRALXLVFIO-UHFFFAOYSA-N 364.898 2.988 0 50 FFAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(=O)OC)cc1 2776440 BIODKPOYUCPOBH-INIZCTEOSA-N 360.410 2.787 0 50 FFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)c2cc(Cl)ccc21 2884808 MPZHNUVOJZHDSB-LJQANCHMSA-N 373.792 2.548 0 50 FFAA COc1cccc(Cl)c1CC(=O)N=[S@@]1(=O)CCC[C@]2(CCCN2)C1 1857530432 OCYOMRVAANZQOG-MZNJEOGPSA-N 370.902 2.802 0 50 FFAA C[C@H]1CN2C[C@@H](N=c3[nH]c(-c4ccccc4)nc4ccccc34)C[C@H]2CO1 1857683442 UGRIPDCAUCYOLA-SZMVWBNQSA-N 360.461 2.992 0 50 FFAA CN(C)[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]12 1857735043 FAONOEXUPJNQRD-HBMCJLEFSA-N 370.518 2.513 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(c3ncc(Cl)cc3Cl)C[C@]23CC[C@H]1O3 1857739829 UUHNKZSNLWZGKQ-HSTIPLNKSA-N 370.280 2.898 0 50 FFAA O=C(c1cnn2ccccc12)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 216560922 DQCYDIBCEMHWDX-ZBFHGGJFSA-N 367.478 2.527 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@H](N)C[C@H]1C 237122036 KBYORIZBMXVTTK-RISCZKNCSA-N 355.276 2.729 0 50 FFAA N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 237974905 YKEKLGRPXQHZNA-CHWSQXEVSA-N 360.483 2.589 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccncc2)O3)n1 14883727 GSJLLPDZVHOYCF-GOSISDBHSA-N 360.417 2.889 0 50 FFAA Cc1cc(C)cc([C@H](CO)NC(=O)c2cc(-c3ccncc3)nn2C)c1 2325781743 FIVLEKUXUPGEET-SFHVURJKSA-N 350.422 2.562 0 50 FFAA N[C@@H](CO)c1ccc(-c2cccc3c2OCCNC3)cc1C(F)(F)F 2325798819 BWYGYRUFMJUUOS-INIZCTEOSA-N 352.356 2.847 0 50 FFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCC(C)(C)OC(F)F)CC1=O 2325819690 NBACJJMRLPZSNK-JSGCOSHPSA-N 354.397 2.730 0 50 FFAA N=c1[nH]c(Cl)cc(=NC[C@@H]2CCOc3ccc(Br)cc32)[nH]1 2325824563 GQJUBFJSYYIRLX-QMMMGPOBSA-N 369.650 2.705 0 50 FFAA COc1ccccc1CNS(=O)(=O)c1ccc(Br)c(C)n1 2325869553 TUHLYZROEIWYNO-UHFFFAOYSA-N 371.256 2.640 0 50 FFAA COc1ccc(CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1C(=O)O 2356162933 UMVBCKQJCIFNID-OAQYLSRUSA-N 367.449 2.972 0 50 FFAA COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1Cl 4977034 WYDIKHRNIJEKGR-UHFFFAOYSA-N 369.826 2.937 0 50 FFAA COc1ccccc1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 225601164 QIDVKMZUDNDAMD-UTKZUKDTSA-N 352.434 2.764 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 106235460 ZLJXVRSWDZYCFW-WBVHZDCISA-N 352.500 2.542 0 50 FFAA O=S1(=O)CC[C@@H](n2cc(C3=CCN(CCc4ccccc4)CC3)cn2)C1 67966046 LPGRMCPNVQXYDA-HXUWFJFHSA-N 371.506 2.575 0 50 FFAA Cc1ccsc1CNc1ccccc1C(=O)NCc1cc(=O)[nH]cn1 23311761 MCXNSTSDQLTSEV-UHFFFAOYSA-N 354.435 2.682 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC[C@@H](C(=O)N4CCCC4)C3)cc2c1 67786266 XBCSYJGDAZBKMQ-MRXNPFEDSA-N 353.466 2.671 0 50 FFAA COCCc1ncc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 67920917 CCUPWIHIVPXHCY-GOSISDBHSA-N 358.461 2.559 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cc1N1CCNC1=O 67740934 OSYVMNPHFWSNFA-LAUBAEHRSA-N 373.497 2.784 0 50 FFAA C[C@@H](c1nnc(SCC(=O)O)n1-c1cccc(Cl)c1)n1ccnc1 67840181 VKVWHHPCEFZXKC-JTQLQIEISA-N 363.830 2.903 0 50 FFAA CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc3c(c2)nnn3C)C1 65533779 NJYCMFZLRYHBMQ-LQWHRVPQSA-N 364.449 2.936 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CCc4nc[nH]c4[C@@H]3C(=O)O)coc2c1C 72428282 BGNQWBJQVFVSPK-GOSISDBHSA-N 367.405 2.834 0 50 FFAA CN1C[C@]2(CCN(Cc3cnc(SCc4ccccc4)nc3)C2)OC1=O 215214836 NKZDOAGMNJAFAE-IBGZPJMESA-N 370.478 2.795 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(C(=O)c2cscc2C)CC1 328633467 MBGNQRWEASGRHS-KRWDZBQOSA-N 372.494 2.890 0 50 FFAA O=C([C@@H](O)c1ccccc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328607317 VMFKUGWUIVFQJD-PLMTUMEDSA-N 367.449 2.636 0 50 FFAA COc1ccc(N2CCN(C(=O)NCc3ccccc3)[C@H](C)C2=O)cc1 77564845 YMBMKLXRXSPQSC-OAHLLOKOSA-N 353.422 2.642 0 50 FFAA COc1ccccc1S(=O)(=O)N1CC[C@@H](c2ccccc2C(=O)O)C1 72145312 LREQPABZTUUMON-CYBMUJFWSA-N 361.419 2.572 0 50 FFAA Cc1nnsc1CN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72477721 JYDPRRAQBCACGN-IBGZPJMESA-N 371.510 2.646 0 50 FFAA Cc1ccc([C@@H](C)CCN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1 72410392 SDGKQESWTAUIKL-INIZCTEOSA-N 363.502 2.930 0 50 FFAA COc1cccc(N2CCC[C@H](NC(=O)c3cc[nH]c3C3CC3)C2=O)c1 367360930 CFZZBSUGACZGCV-KRWDZBQOSA-N 353.422 2.826 0 50 FFAA Cc1nc([C@H]2CCCN(c3ccc(C(=O)O)cn3)C2)cc(N2CCCC2)n1 72475866 QVCFGGGWIBYAOB-INIZCTEOSA-N 367.453 2.862 0 50 FFAA Cc1nccn1C[C@@H]1CCCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1 77487893 ZADWLNDQLPBQBX-AWEZNQCLSA-N 368.412 2.725 0 50 FFAA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)/C=C/c1ccncn1 158757353 XFCSPZRGCHUJJA-BQYQJAHWSA-N 359.451 2.601 0 50 FFAA O=C(Cc1csc(-n2cccc2)n1)N1CCN(c2ccccc2)CC1 30819507 ZXSFHSSPXCKLCL-UHFFFAOYSA-N 352.463 2.825 0 50 FFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CC[C@H]1c1ccccc1 35895144 XJJCNPMJDDALAG-FQEVSTJZSA-N 366.440 2.907 0 50 FFAA Cc1cccn2c(CC(=O)N3CC[C@@H](c4ccccc4C(=O)O)C3)cnc12 72160967 VWXBWIFYZKRKSV-OAHLLOKOSA-N 363.417 2.900 0 50 FFAA CC(=O)c1ccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)nc1 82097716 KSXMFWQCCIMPPM-UHFFFAOYSA-N 367.453 2.625 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3CCN([C@@H](C)C(F)(F)F)CC3)c2c1 177083822 RXXRXZSMEAHDMZ-LBPRGKRZSA-N 369.387 2.814 0 50 FFAA Cc1cccc(N2CCN(C(=O)NCc3nc(C(C)C)no3)CC2)c1C 426653010 UBPIERQFJUGQMT-UHFFFAOYSA-N 357.458 2.842 0 50 FFAA COc1ccccc1OC1CN(C(=O)NCCCc2scnc2C)C1 426544924 FFMLBDGSVIEMKQ-UHFFFAOYSA-N 361.467 2.866 0 50 FFAA COc1ccc(C2(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)CC2)cc1 82166644 AQNIMDGKAONURM-UHFFFAOYSA-N 364.445 2.911 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3ccc4sccc4c3)nn2)CC1 426589873 ACPJHHHZJBLODA-GASCZTMLSA-N 355.467 2.865 0 50 FFAA CN(Cc1ccon1)C(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 220643182 ZEPIPTBCOZLOTC-LLVKDONJSA-N 354.332 2.573 0 50 FFAA Cc1ccc2oc(-c3ccc(C(=O)NC[C@]4(O)CCCNC4)cc3)nc2c1 426596478 KHWQJYQPFNGGHU-NRFANRHFSA-N 365.433 2.648 0 50 FFAA CNC(=O)C1(NC(=O)NCCc2ccc(C(F)(F)F)cc2)CCCCC1 426515795 VGRLIAVDYDZJRE-UHFFFAOYSA-N 371.403 2.996 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1CCN1CCOCC1 82161320 GBKWCRPTSWEHMR-MRXNPFEDSA-N 350.434 2.551 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc2ncsc2c1 220661851 BPJLNBFQPKVGPD-UKRRQHHQSA-N 355.419 2.658 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC([C@H](O)c3ccccn3)CC1)OCCO2 222652236 ZEMLNIDNYHLUTA-FQEVSTJZSA-N 368.433 2.747 0 50 FFAA Cn1c(CO)nnc1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 97775506 KZYIDJCQEAFTPM-UHFFFAOYSA-N 369.494 2.811 0 50 FFAA Cc1c(-c2cc(C(=O)NC[C@@H]3CCOc4ccccc4C3)no2)cnn1C 95368527 YYTSQFZCBULRMH-CQSZACIVSA-N 366.421 2.755 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1 95374445 SDKLHFWBADHHGL-HXUWFJFHSA-N 366.461 2.855 0 50 FFAA O=C(O)[C@H](Cc1ccncc1)n1cc(-c2ccc3cccc(F)c3n2)nn1 95363415 PTAXDKWLGASIMA-KRWDZBQOSA-N 363.352 2.896 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@@]2(CCOC2)C1 91819952 MWZVALRAMYACFU-HXUWFJFHSA-N 355.438 2.600 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)[nH]n1 23541572 XBHBFTZENWVCQF-AWEZNQCLSA-N 369.450 2.553 0 50 FFAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1nc(-c3ccco3)no1)C2 91626348 CFUPMABIJHMSIJ-LJQANCHMSA-N 356.426 2.554 0 50 FFAA CCc1c(C(=O)Nc2ccc3nncn3c2)cnn1-c1ccc(F)cc1 179635226 MQUIDBBQCNCAHG-UHFFFAOYSA-N 350.357 2.869 0 50 FFAA CSc1ncc(CNC2CCN(c3ncnc4ccsc34)CC2)n1C 96163826 CJTHCDCMGYETQJ-UHFFFAOYSA-N 374.539 2.905 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)ccc1O)CC2 91619982 OKZMDYDGGSTFAA-UHFFFAOYSA-N 374.481 2.582 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[C@H](c2nc3ccccc3o2)C1 91327103 LEHDJWAHEDPOFY-ZDUSSCGKSA-N 364.405 2.808 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 92028917 BYEDQWHKFPEYOI-GOSISDBHSA-N 371.485 2.777 0 50 FFAA O=C(c1ncccc1O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95383240 NKPDSNIPUMXOOT-ZDUSSCGKSA-N 369.450 2.508 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91950564 YBMUASRMPSSYIV-INIZCTEOSA-N 351.406 2.770 0 50 FFAA Cc1nn(C)cc1CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91550419 CFOIKXDAWXTVBM-UHFFFAOYSA-N 367.497 2.528 0 50 FFAA CC(C)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@H]1NC(=O)N(C)C 95386073 NYEOJLYEGNCLMI-GOEBONIOSA-N 361.515 2.866 0 50 FFAA CCCn1nc(C)c(NC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1C 97766403 IYNICLWXCRLBCL-KRWDZBQOSA-N 374.489 2.621 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)[C@@H]3CCCCN3C(=O)C3CC3)nc2c1C 244794822 QULYAWWVURHIPJ-KRWDZBQOSA-N 368.481 2.630 0 50 FFAA NCCOc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 183245848 PSNPGFVYAARPCI-HNNXBMFYSA-N 353.422 2.554 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)C1 253495896 UYMISKDBDMZQOT-NSHDSACASA-N 350.802 2.642 0 50 FFAA Cc1ccn(CCC(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 252539661 OHCUYWUBMRYTFM-PLMTUMEDSA-N 364.449 2.758 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)N[C@@H](c1nccn1C)C1CC1 534657446 ONGMRQNGWRAHNS-GOSISDBHSA-N 364.453 2.899 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@H]1CCn1cccn1 299790894 CEUIRSPZSGYXKB-LBPRGKRZSA-N 355.364 2.720 0 50 FFAA Cc1ccc2nc(SCC(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)cc(C)c2c1 828034421 BAZZAIJVLURKJU-GDBMZVCRSA-N 369.490 2.880 0 50 FFAA COc1nc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)ncc1F 584891028 QIQLGGZNLLEEHY-UHFFFAOYSA-N 359.401 2.716 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(F)cc2)CCO1 269034186 NRTNRTNJNLCWRF-INIZCTEOSA-N 373.380 2.720 0 50 FFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCO[C@]2(CCOC2)C1 185355981 LMFWDAUZZMBIOH-MRXNPFEDSA-N 373.375 2.795 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 269658950 SVYQSNJWQFIFPF-NXEZZACHSA-N 354.369 2.592 0 50 FFAA CCC1CCC(N(C)C(=O)c2nc(C)c(C)c(N3CC[C@@H](N)C3)n2)CC1 1875301956 ZAUXRWRYHNAFLN-AQFXKWCLSA-N 359.518 2.672 0 50 FFAA CC(C)n1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]4CCC[C@H]43)[C@H](C)C2)cn1 1875361422 RZFOTBNDGMXHMC-CYGHRXIMSA-N 358.486 2.573 0 50 FFAA CC(=O)Nc1ccc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 1565515489 FHIXIRPCQQPUFK-MOPGFXCFSA-N 368.433 2.724 0 50 FFAA O=C(c1cccnc1N1CC[C@H](N2CCCC2)C1)N1CCc2ccccc21 301394739 DQZLHTUKNAELFF-SFHVURJKSA-N 362.477 2.959 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCC[C@H]1CCc1ccccc1 186548586 PKDCMBPKWXYETP-HNNXBMFYSA-N 369.437 2.934 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCN[C@H](C)C2)cs1 188455880 ALZVQWFRWXQCAZ-HSBSLETESA-N 357.479 2.864 0 50 FFAA O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCn2c1nc1ccccc12 194118048 RDXUJIATGAKQFK-GFCCVEGCSA-N 352.360 2.657 0 50 FFAA COc1ccc(NC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529186434 ZCQNGHZQXYEJLK-UYAOXDASSA-N 367.449 2.985 0 50 FFAA CC(=O)c1cc(CN2CCCN(C(=O)Cc3ccccc3)CC2)n(C)c1 1529159877 TZVWPTCZVBAYNG-UHFFFAOYSA-N 353.466 2.505 0 50 FFAA COc1ccc(CCNC(=O)CN2CCC[C@]3(CCC[C@H]3OC)C2)cc1 1704358439 MHCGLLSXIPCZKQ-TZIWHRDSSA-N 360.498 2.635 0 50 FFAA CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OC(C)C 1166442 RLUFACGSGWUELS-IZZDOVSWSA-N 369.215 2.815 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2=O)c1 11662854 VCSKHFBMKSKLJB-NRFANRHFSA-N 368.433 2.943 0 50 FFAA CSc1nnc(CNC(=O)Cc2c(C)noc2C)n1-c1ccccc1C 11909901 IMRWVHJDISOGFT-UHFFFAOYSA-N 371.466 2.761 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)C1 12075972 IFMBEWPBIJYKTQ-LBPRGKRZSA-N 366.824 2.618 0 50 FFAA Cc1nc(N2CCC(C(=O)NCC3CCOCC3)CC2)nc2ccccc12 12279175 LJAMYIZASVQXNL-UHFFFAOYSA-N 368.481 2.697 0 50 FFAA O=C(c1ccco1)N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 13326234 XZRMEQHJCAWRIE-UHFFFAOYSA-N 354.740 2.809 0 50 FFAA O=C(c1ccncc1)N(Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCCO1 16475268 MXNVOFZWVOGEDA-GOSISDBHSA-N 363.417 2.745 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)NC(c2ccc(C)cc2)=NO3)cc1 169760464 XRQUKQMSZRYYQW-UHFFFAOYSA-N 365.433 2.918 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1F 169772213 VXBCDFMJGIVJHE-UHFFFAOYSA-N 368.334 2.905 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)CSc2nnc(C)s2)s1 6732076 VOLYAYHNINOYEA-UHFFFAOYSA-N 357.482 2.988 0 50 FFAA Cc1cn(C)nc1C(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 331723956 LYYJNMUDULWFFS-HIFRSBDPSA-N 354.237 2.766 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CC12CCOCC2 238148599 CGGMKQGVIJMRSV-CYBMUJFWSA-N 353.365 2.585 0 50 FFAA O=C(NCCn1ccnc1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 363307457 SHTCJLVHISYHHS-OAQYLSRUSA-N 367.497 2.581 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccc(F)cc3Cl)C1)CC2 1704338673 WVBGDHURBHRCER-LJQANCHMSA-N 374.847 2.900 0 50 FFAA CCN(C)C(=O)CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704338807 GORIWSZHIBTQDR-QFIPXVFZSA-N 364.493 2.902 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O 4991084 DJOJPJZQEQKELV-QGZVFWFLSA-N 371.368 2.807 0 50 FFAA Cc1cnn(C2CCN(C(=O)C(=O)Nc3cccc4c3CCCC4)CC2)c1 2325728092 SWVQMGVWDUCAAA-UHFFFAOYSA-N 366.465 2.873 0 50 FFAA O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCc2nc[nH]c2C1 2325781480 UEPDXGJCUHSNAU-VIFPVBQESA-N 364.236 2.786 0 50 FFAA Cc1cnc([C@@H]2CCCN(C(=O)NC[C@H]3CNC(=O)C(C)(C)C3)C2)s1 2325800519 PCVQBVBXFBCEKA-ZIAGYGMSSA-N 364.515 2.503 0 50 FFAA Cc1nc(CCN2CCC[C@@H](NC(=O)c3nccc4[nH]ccc34)C2)cs1 2325812127 UOCSPHTXXIAETM-CQSZACIVSA-N 369.494 2.765 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCOc2c1ccc(Cl)c2Cl 2325884665 FWMWXQNDULZQJA-GFCCVEGCSA-N 357.237 2.968 0 50 FFAA COC(=O)COc1ccc(NC(=O)[C@@H]2CNCC2(C)C)c2ccccc12 884163581 KIVWZOIMTCABRG-HNNXBMFYSA-N 356.422 2.576 0 50 FFAA NS(=O)(=O)c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 898127 QHWPHOPAHFZNAO-UHFFFAOYSA-N 359.234 2.571 0 50 FFAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1)c1ccccc1 2872279 ICSDHJDGCPDZIL-NSHDSACASA-N 369.826 2.843 0 50 FFAA COc1cc2c(cc1CN1CC[C@](O)(c3ccccc3)[C@@H](O)C1)CCC2 2356158966 GLRIETKWMLLCOL-VXKWHMMOSA-N 353.462 2.638 0 50 FFAA COc1cccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 4943634 IQXAEEDCRVDEEP-UHFFFAOYSA-N 353.378 2.783 0 50 FFAA COc1c(O)cccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc(C)cc2)C1 225495422 AYRCORAXIVCEME-INIZCTEOSA-N 360.435 2.820 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cccs2)CC1 109666123 BXWQCZSPGNHZBT-UHFFFAOYSA-N 352.891 2.655 0 50 FFAA CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1OC1CCC1)CC2 118581404 BVBRCUZNGITWSR-HNNXBMFYSA-N 369.469 2.586 0 50 FFAA C[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CCN1C 55108480 UTNFONGTCCZQHS-GFCCVEGCSA-N 358.442 2.978 0 50 FFAA O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1nccs1 9143280 BWJHVMRDEMVMHQ-UHFFFAOYSA-N 358.452 2.862 0 50 FFAA CC1(C)C[C@H](C(=O)N(CCCn2ccnc2)Cc2cccnc2)CCO1 102544394 DLUJKFPZTYDXER-GOSISDBHSA-N 356.470 2.902 0 50 FFAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101688770 UQOWUHPCQYIXHT-KKUMJFAQSA-N 369.852 2.892 0 50 FFAA CSCC[C@H](C(=O)Nc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247553454 WQMXAISXKGOQLR-BZUAXINKSA-N 360.479 2.922 0 50 FFAA CCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 20540814 FBORVWPYJWUHBK-UHFFFAOYSA-N 357.542 2.932 0 50 FFAA CCc1oc(C(=O)N(C)Cc2cc(COC)[nH]n2)cc1CN(CC)CC 55324946 BYJXDYRAQCXURO-UHFFFAOYSA-N 362.474 2.826 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N(C)C[C@@H]2CCCO2)co1 67955465 AXYXVZPHSFOFHO-AWEZNQCLSA-N 360.410 2.822 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N(C)Cc2cccc3ncccc23)c1C 67677253 RENBQBTYYVBVMS-UHFFFAOYSA-N 350.422 2.909 0 50 FFAA Cc1cc(Br)cc(C)c1OCCOCCN1CCN(C)CC1 22184667 BQDNEMITRXTGIN-UHFFFAOYSA-N 371.319 2.709 0 50 FFAA COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCOCC1 20394024 CVIXJGZPRUCIDK-UHFFFAOYSA-N 374.462 2.781 0 50 FFAA COc1cc2c(cc1C)[C@H](c1ccc(OCC(N)=O)c(Cl)c1)CC(=O)N2 65494877 VEHOLFNXGOUBDW-LBPRGKRZSA-N 374.824 2.995 0 50 FFAA CC(=O)N1CCC(NCc2cccnc2N2CCc3ccccc3C2)CC1 11948019 DFWNAADLDSRMRZ-UHFFFAOYSA-N 364.493 2.745 0 50 FFAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1ccc2c(c1)OCCCO2 252666564 BXNLBUWNYHLCAY-MWDDYTRKSA-N 360.410 2.557 0 50 FFAA Cc1ccc(N[C@@](C)(C(=O)NCC(=O)NC(C)C)c2ccccc2)cc1 65384367 LWNNHPODBITTLM-OAQYLSRUSA-N 353.466 2.963 0 50 FFAA NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1 33359230 IAYGCINLNONXHY-LBPRGKRZSA-N 362.430 2.527 0 50 FFAA investigational Cc1c(C(=O)O)sc2ncnc(NCc3noc([C@@H]4CCCO4)n3)c12 67654149 AQLCZZLKZXVMFN-QMMMGPOBSA-N 361.383 2.545 0 50 FFAA O=C(c1cc(-n2cccc2)ccc1F)N1CCN(c2ccccn2)CC1 32501649 BMVBSJBMAYFBCN-UHFFFAOYSA-N 350.397 2.974 0 50 FFAA COc1cc(-n2cc(C(=O)O)c3ccccc3c2=O)cc(OC)c1OC 72220552 VOBNJHBEVPVOHM-UHFFFAOYSA-N 355.346 2.715 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)N1CCO[C@H](c2cccs2)C1 154964434 VNCRFXRTBRKWDG-SFHVURJKSA-N 371.506 2.889 0 50 FFAA c1cncc(-c2nc3c(c(N4CCOc5ccccc5C4)n2)CCNC3)c1 71759063 TYOHHGUJOSLJSE-UHFFFAOYSA-N 359.433 2.583 0 50 FFAA C[C@@H]1CCCN1S(=O)(=O)N(Cc1ccccc1)CC1(O)CCCC1 329983838 PXTNUGFPSDESRE-MRXNPFEDSA-N 352.500 2.523 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H](Nc2ccccc2)C1 155740258 TVFHIGSXQAABQI-LJQANCHMSA-N 357.498 2.735 0 50 FFAA CC[C@@H]1CN(C(=O)c2nn(C)cc2Cl)CCC(=O)N1Cc1ccccc1 71747496 JKFZVLXOMJWELV-OAHLLOKOSA-N 374.872 2.727 0 50 FFAA CC(C)c1noc(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 332289194 JABPJQPUPDYUMN-UHFFFAOYSA-N 365.455 2.947 0 50 FFAA O=C(c1cc2c(nc1O)CCCC2)N1CCNC[C@H]1c1cccc(F)c1 261938247 KFKKBQGGEDXCQS-SFHVURJKSA-N 355.413 2.592 0 50 FFAA C[C@H](CN1CCCC1=O)NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 173670049 UFEODMCXLDIENB-GFCCVEGCSA-N 355.413 2.992 0 50 FFAA O=C(CC1CCCCC1)NCC(=O)Nc1ncc(C2CCNCC2)s1 262155716 ZJDRXSVHTVDHFB-UHFFFAOYSA-N 364.515 2.635 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)CSc1nc2cc(C)ccc2[nH]1 218908975 MHGLFOIRXIFOBU-GFCCVEGCSA-N 358.471 2.842 0 50 FFAA O=C(C[C@@H]1CCCS(=O)(=O)C1)N1CCCc2c(F)c(F)cc(F)c21 333330820 OGPJRAXOUOAFIQ-JTQLQIEISA-N 361.385 2.598 0 50 FFAA C[C@@H]1CC(=O)CC[C@H]1c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 239539283 AWCKIPHEFJFLCF-MRVWCRGKSA-N 365.430 2.851 0 50 FFAA O=C1NCCN1c1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1 72129149 PPBQJWAFJALWKR-UHFFFAOYSA-N 368.456 2.673 0 50 FFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCC(F)(F)CC1 129098266 APHQTUBKGFJTPI-UHFFFAOYSA-N 352.381 2.923 0 50 FFAA O=c1oc2ccccc2n1C[C@@H]1c2nc[nH]c2CCN1Cc1ccco1 72431504 JNYRNQZIIXJBHV-MRXNPFEDSA-N 350.378 2.710 0 50 FFAA CCCNc1ncc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cn1 77344149 CUXUSHBEJLVMOR-HXUWFJFHSA-N 357.502 2.666 0 50 FFAA CC[C@H](NC(=O)Cc1ccc(OC)cc1OC)c1cn2cccnc2n1 220242969 WAUGUFKUPBHZFG-HNNXBMFYSA-N 354.410 2.557 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1ccc(N2CCCC2)cc1 223017713 DDVHINVISZPQHO-UXHICEINSA-N 358.482 2.991 0 50 FFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1CCOCC1 20542445 WUHGZBFLZGLEEF-LJQANCHMSA-N 372.553 2.993 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2Cc3ccccc3C2)C1=O 132864439 HALBNZAYPQGNRG-MRXNPFEDSA-N 351.406 2.526 0 50 FFAA CCO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)s1 223092005 XZLWBAOFSICBCJ-RKDXNWHRSA-N 360.284 2.527 0 50 FFAA Cc1nc2cc(CNC(=O)CN(C)Cc3ccc(F)cc3)ccc2n1C 221158958 DXOJQUWVFZYNBQ-UHFFFAOYSA-N 354.429 2.769 0 50 FFAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1csc(Cc2ccccc2)n1 82097880 NRFWLCNVLATVTD-CABCVRRESA-N 355.463 2.569 0 50 FFAA Cc1ccc(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)c(F)c1F 48148073 MCMMRMZVOSDXNR-UHFFFAOYSA-N 364.396 2.569 0 50 FFAA Fc1cccc(F)c1-c1nc(CN[C@@H]2CCOC3(CCOCC3)C2)no1 82106759 FZRNZOYXXNLLOX-GFCCVEGCSA-N 365.380 2.833 0 50 FFAA CC(C)c1nc(CN(C)C(=O)Cn2ccc([C@H]3CCCNC3)n2)cs1 426496956 PZCAFAHBKSWQIY-AWEZNQCLSA-N 361.515 2.589 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)[C@H](C(=O)O)c1cccc(CO)c1 95358988 XOLJXBVJCRZQKC-IBGZPJMESA-N 351.406 2.622 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)N(C)C 95391277 CSBNCFRQEUJXEF-LJQANCHMSA-N 372.900 2.995 0 50 FFAA CN(Cc1ccc2nonc2c1)[C@@H](C(=O)O)c1ccc(-c2ccn[nH]2)cc1 95360600 XQUHGIWRMPVSQF-GOSISDBHSA-N 363.377 2.871 0 50 FFAA Cc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)CN(C)C)c2)cn1 96132932 SIGMZFOBCBXOHE-AWEZNQCLSA-N 355.442 2.773 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccccc1F)C2 91974021 ZYSZTRTYXVWNIK-DOTOQJQBSA-N 371.460 2.663 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H](c2nccn2CCOC)C1 92077430 HXOLMDDUZZRIRQ-INIZCTEOSA-N 357.454 2.948 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2ccc3cccnc3c2)on1 97295239 HURBIIKUBZGLRA-KDOFPFPSSA-N 352.394 2.910 0 50 FFAA Cc1c[nH]c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 95388984 BJQCQAOHGJQZBT-RCCFBDPRSA-N 354.429 2.560 0 50 FFAA COc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1OC 93018207 FODNUXIGTGSICE-OAHLLOKOSA-N 368.905 2.901 0 50 FFAA CN1CCC(C2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)CC1 96161776 KXEWTDRLJFUDTQ-UHFFFAOYSA-N 356.514 2.876 0 50 FFAA O=C(c1ccccn1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95496750 KGPFOUPCPZMHLL-CQSZACIVSA-N 353.451 2.803 0 50 FFAA Cc1ccc(C(=O)NCc2ccc(F)c(F)c2F)cc1N1CCNC1=O 96130436 XDFJINSCBNBXTK-UHFFFAOYSA-N 363.339 2.872 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@H]2C=C(C)c3cc(C)ccc3N12 248379656 NNERDYKOTGZKJU-FCGDIQPGSA-N 366.461 2.958 0 50 FFAA COCCc1noc([C@H]2CCCCN2Cc2nnc(-c3ccco3)o2)n1 243932250 BTSUSKKBWSTDDF-GFCCVEGCSA-N 359.386 2.629 0 50 FFAA COc1ccc([C@@H](NC(=O)c2csc(C)n2)[C@H]2C[C@@H](O)C2)cc1F 244633449 GDGCDQHETFKRLS-BFQNTYOBSA-N 350.415 2.841 0 50 FFAA CCc1ncc(S(=O)(=O)NCc2csc(-c3cccc(C)c3)n2)[nH]1 534584475 JSRBRHHVEPWUAL-UHFFFAOYSA-N 362.480 2.883 0 50 FFAA O[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@H]1Nc1ncccn1 299798972 SDIGOYBFJKJTNO-SJLPKXTDSA-N 357.458 2.560 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 823676132 HXEIZQOQLUOPDS-UHFFFAOYSA-N 350.422 2.849 0 50 FFAA O=C(NCc1cnc2c(c1)CCC2)N(Cc1ccccn1)C[C@H]1CCCO1 584889238 RBXQMVMAMZTFLO-LJQANCHMSA-N 366.465 2.856 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)CC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)C2 590561099 UMQMHBFFOLWGQR-QRWBLDLWSA-N 371.477 2.836 0 50 FFAA Cc1nc(COc2ccc(CNC[C@]3(O)CCSC3)cc2)cs1 1875257161 JTXHMWCTMHZCEU-QGZVFWFLSA-N 350.509 2.988 0 50 FFAA Cc1c(CO)nn(Cc2cc3ccccc3n(C)c2=O)c1C(F)(F)F 1875291443 ZFRNMNBAWXSBFP-UHFFFAOYSA-N 351.328 2.603 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)nn1CC(F)(F)F 1875300936 WMLZGLZAZSVIGM-AWEZNQCLSA-N 355.364 2.855 0 50 FFAA O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCC[C@@H]1Cn1cc(-c2cccnc2)nn1 1875338661 GMVBVSZJFPEONV-JOCBIADPSA-N 351.454 2.767 0 50 FFAA C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CCC2 1875310345 MYYLSWFTWFVRKC-AUUYWEPGSA-N 352.434 2.856 0 50 FFAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)Cc1c(F)cccc1Cl 886054688 HPQVGCYXGFCEGQ-DOTOQJQBSA-N 351.809 2.710 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c1 888102483 WRVJLUPYLSLZCD-CABZTGNLSA-N 356.797 2.691 0 50 FFAA C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)N1CC(NC(=O)C2CCC2)C1 170600901 FFXGCOYAUJKFHZ-JTQLQIEISA-N 370.280 2.921 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1ccsc1 170618912 UFSFVFYLMVYDDM-OAHLLOKOSA-N 361.492 2.820 0 50 FFAA CC[C@]1(C)CN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)CCO1 188204100 SNOOOXGWLMCWTD-OAHLLOKOSA-N 361.364 2.690 0 50 FFAA CCOC(=O)C1CCN(C(=O)CN[C@H](c2ccc(OC)cc2)C2CC2)CC1 192507714 SQRUGPGIJKDSLW-FQEVSTJZSA-N 374.481 2.538 0 50 FFAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1c(C)[nH]c2ccccc2c1=O 1074643796 USSQJTJDYYDYKD-NUMXXLJMSA-N 354.450 2.699 0 50 FFAA O=C1CC[C@H](N2CCC(O)(Cc3ccccc3)CC2)CCN1CC1CC1 1506415860 QKHRBNCVGACDSY-FQEVSTJZSA-N 356.510 2.847 0 50 FFAA O=C(O)CCN(C(=O)c1sccc1Br)C1CCOCC1 238076595 ZGMJLXXZSLPBOW-UHFFFAOYSA-N 362.245 2.607 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2CCC([C@@H](O)CO)CC2)c1 1772710153 OZWCOMVQLYIUAT-IBGZPJMESA-N 355.434 2.568 0 50 FFAA Cc1ccc2c(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)cnn2c1 1772712646 XPIPYPVFFULRJJ-FQEVSTJZSA-N 363.465 2.995 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCCC1)c1cc(N2CCOCC2)no1 1772807733 UAKWWCYRGHSLJP-UHFFFAOYSA-N 373.428 2.892 0 50 FFAA Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cccnc1 905210 LELBFJVIGGAEQS-UHFFFAOYSA-N 351.435 2.559 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)C3CCCCC3)CC2)C1 11838394 IUBYARNQJHQXDO-KRWDZBQOSA-N 361.530 2.548 0 50 FFAA O=C1CCCN1CC1CCN(c2ccc(-c3nc(C4CC4)no3)cn2)CC1 19113936 DDYJMULMWZWODL-UHFFFAOYSA-N 367.453 2.848 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 19911769 PAZYWEMNYKGAEZ-CQSZACIVSA-N 361.492 2.820 0 50 FFAA Oc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169818837 SSRMPVDFDJCFNE-UHFFFAOYSA-N 352.509 2.770 0 50 FFAA Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)c1 991971 CZWDUXUZKRKEJX-OAHLLOKOSA-N 355.365 2.913 0 50 FFAA CCOCC(=O)N1CCC[C@@]2(CN(CCC3CCCCC3)CC[C@H]2O)C1 1857702322 IVNNMDIJTAEQNJ-TZIWHRDSSA-N 366.546 2.669 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCCc1cccnc1 1857725790 MZZYZFNFGLZRQY-UHFFFAOYSA-N 353.451 2.920 0 50 FFAA O=C(c1coc(C2CCOCC2)n1)N1CCO[C@H](c2ccccc2F)C1 329934055 JOJAZYVPGPYELN-KRWDZBQOSA-N 360.385 2.921 0 50 FFAA CCc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc(-c3ccccc3)[nH]2)n1 364770134 NLGLWJSREAOCHI-XJKSGUPXSA-N 352.394 2.575 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]12 1704312209 FFZLQTRSCLCUOO-NVXWUHKLSA-N 356.388 2.624 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@H](C)C2)(c2ccccc2)CC1 847897927 ZXBZSSBPUSKEGP-QGZVFWFLSA-N 372.534 2.944 0 50 FFAA Cc1ccnc([C@H](C)NC(=O)c2ccc3nnc(-c4cccn4C)n3c2)c1 2100543495 SAQJDXFCYRVVCQ-AWEZNQCLSA-N 360.421 2.929 0 50 FFAA CCCc1nc(NC(=O)c2nn(Cc3ccccc3)c3ncccc23)n[nH]1 2100547617 LZIHELQJDGPPDA-UHFFFAOYSA-N 361.409 2.803 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@@H](C(F)(F)F)CO1 2325813434 SFFSXEWTKRXGKZ-CABCVRRESA-N 353.344 2.515 0 50 FFAA Cc1nc(C(=O)Nc2ncc(C[C@@H]3CCCOC3)s2)ccc1C(=O)O 2325828554 KQYLVSNJTKUZKA-NSHDSACASA-N 361.423 2.766 0 50 FFAA N[C@]1(c2ccccc2)CCN(C(=O)NCc2ccn(-c3ccccc3)n2)C1 2325857619 JAXDCWAVQIJUOQ-OAQYLSRUSA-N 361.449 2.642 0 50 FFAA CC[C@@H](C)CC(=O)N(C)CCN(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867200 OEHBBGVPBPSLFH-CSNJMZFVSA-N 351.535 2.602 0 50 FFAA O=C(/C=C/C(=O)OCC(=O)c1ccc(Cl)cc1)NCc1ccccc1 2982269 OYKHBZMGTSXRCM-ZHACJKMWSA-N 357.793 2.939 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)C1=O 2356148614 IODZXAJYKJWERN-FQEVSTJZSA-N 354.454 2.879 0 50 FFAA CSc1nnc(CC2CCN(Cc3cccc4c3OCO4)CC2)n1C 55414543 JCGGHBJOYWVLRH-UHFFFAOYSA-N 360.483 2.720 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cccnc3)n1)CCN(c1cnccn1)C2 23145856 BGICRZQPKIBQKF-UHFFFAOYSA-N 371.404 2.855 0 50 FFAA CC(C)(C)OC(=O)N1CC2(CC(=O)CCN2C(=O)OCc2ccccc2)C1 307064360 QFOIIWWYSARUDM-UHFFFAOYSA-N 374.437 2.978 0 50 FFAA COC(=O)c1n[nH]c2c1[C@@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 65432918 OMSIVXIDLGTSDR-LLVKDONJSA-N 359.769 2.752 0 50 FFAA Cc1ccc(F)c(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccn3)C2)c1F 11667678 IFKUSLHLYMCUDT-CQSZACIVSA-N 373.403 2.723 0 50 FFAA O=C(CCCc1ccccc1)N1CCC(=O)N(CCN2CCCCC2)CC1 20208518 WBSKLWDPRQKYTC-UHFFFAOYSA-N 371.525 2.556 0 50 FFAA c1ccc(CCc2nc(-c3nc4ncccn4n3)n(-c3ccccn3)n2)cc1 65387098 AGAWLFVMVAMYAG-UHFFFAOYSA-N 368.404 2.552 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(F)(F)F)c1 252587370 XSUWKOVBACYWNS-NBLIUIFLSA-N 369.339 2.853 0 50 FFAA CCC[C@@H]1C=CCN1C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 67946533 USASWIKSAWKXMR-CQSZACIVSA-N 355.394 2.898 0 50 FFAA COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)n1 12219019 CFYYJNMCWFKKQS-UHFFFAOYSA-N 354.406 2.897 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2noc3c2CCCC3)n1C 328630576 JOJUAJPCHSRNTF-KRWDZBQOSA-N 356.470 2.979 0 50 FFAA CNc1ncc(CN(C)C(=O)c2ccc(-n3nc(C)cc3C)cc2)cn1 77555463 SOJKSYVDSUMKFU-UHFFFAOYSA-N 350.426 2.593 0 50 FFAA CN1CCN([C@H]2CCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)CC1 216285533 RFBPDUOFNZEGNW-INIZCTEOSA-N 355.438 2.534 0 50 FFAA CCn1c(C)nnc1CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 253623513 XUVASEQJHLGRPF-DOMZBBRYSA-N 354.376 2.933 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3cn(C4CCNCC4)nn3)c2)oc1C 152496866 TXPKNFADZROTJH-UHFFFAOYSA-N 366.425 2.727 0 50 FFAA CC(C)c1cccc(N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72418758 DZNMIUPTHLBNIQ-OAQYLSRUSA-N 358.530 2.976 0 50 FFAA COc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c(OC)c1 33088757 CPRKTLWRSYEVIB-UHFFFAOYSA-N 350.374 2.827 0 50 FFAA CCCc1ccc(CN2C[C@H](O)[C@@H](N(C)Cc3cc(C4CC4)[nH]n3)C2)o1 72409083 YLWFTSMPRSGLLT-PMACEKPBSA-N 358.486 2.510 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCC(=O)NC1CCCC1 72431992 MQWVYIZOOGCKTH-UHFFFAOYSA-N 354.454 2.670 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)c(C)n1[C@@H](C)c1ccccc1 237638802 OPYIERXDAYTHAS-KSSFIOAISA-N 356.422 2.640 0 50 FFAA COCCn1cc2c(n1)[C@H](NC(=O)Cc1c[nH]c3ccccc13)CCC2 374763309 RPMUZTJHBJWSLJ-GOSISDBHSA-N 352.438 2.747 0 50 FFAA Cc1ccnc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccc(C)o3)C2)n1 72474123 MRWKGYGDGSIWOC-FUHWJXTLSA-N 354.454 2.746 0 50 FFAA O=C(c1cnsn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72474144 BFPQVGUUARIDFD-UHFFFAOYSA-N 357.357 2.681 0 50 FFAA O=C(c1ccc(F)c(F)c1)c1ccccc1C(=O)N1C[C@H](O)C2(CC2)C1 375289524 SEHFYLIKFVQMKG-KRWDZBQOSA-N 357.356 2.793 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H](C)C2=O)c1 218984237 KZUVJMSWVALRAQ-KRWDZBQOSA-N 365.477 2.934 0 50 FFAA CCNc1ncc(CN2CCC3(CC2)CN(CCC(C)C)C(=O)O3)cn1 72417790 TZRMRJHTAHNQRZ-UHFFFAOYSA-N 361.490 2.741 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ncnc4[nH]ccc34)CC2)n1 72427083 XCHRPEXAOBWCJB-UHFFFAOYSA-N 368.441 2.532 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 175856844 LFCLVSAJEZXSAK-MRXNPFEDSA-N 351.410 2.710 0 50 FFAA CN(C[C@@H]1CCOC1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 177327709 RRBOXFOZFDLUJT-INIZCTEOSA-N 350.422 2.588 0 50 FFAA O=C(c1cnc2ccc(F)cc2c1)N1CCC(CN2CCOCC2)CC1 178964439 NFFJFERAYQMHQS-UHFFFAOYSA-N 357.429 2.558 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CC(Oc2cccc(Cl)c2)C1 221250745 KYFYCCGOGFUUMC-OAHLLOKOSA-N 352.818 2.551 0 50 FFAA Cn1ccnc1C[C@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 178266842 CNBJKXDORMFQNR-QGZVFWFLSA-N 363.465 2.630 0 50 FFAA COc1cc2c(cc1CN1CC[C@]3(OC)CC[C@@H](OC)C[C@H]13)OCCO2 426383738 DTZAPQVBUALSSR-UIAACRFSSA-N 363.454 2.625 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NCc2ccccc2-n2ccnc2)no1 426490529 KEKVDWKDEQPDHT-UHFFFAOYSA-N 368.441 2.795 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 82134417 ZOOXGCONSATDIJ-UHFFFAOYSA-N 368.412 2.530 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccccc1)C1CCN(C2CCOCC2)CC1 426737380 JHARPRYBRGMSGT-UHFFFAOYSA-N 368.481 2.584 0 50 FFAA CCCCCC(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 82116250 HWFXOSANNGVNAC-SFHVURJKSA-N 363.546 2.892 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCCCCN2C)C3)cc1 96153900 VVRJABBYRFPCHX-LJQANCHMSA-N 368.481 2.844 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 239038648 DPLNQFIZXCWJQZ-UXJCHEOYSA-N 370.836 2.704 0 50 FFAA COC[C@@H](C)N(Cc1ccccc1C)C(=O)c1cccc(-n2cnnc2)n1 97505740 DKBLQEOVWFIVQP-MRXNPFEDSA-N 365.437 2.648 0 50 FFAA CN(Cc1nccn1C)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 426627849 USXJCTVSMLGRGA-KRWDZBQOSA-N 359.449 2.538 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)CC1=O 91915104 WYKUSGGXEHXBPL-LBPRGKRZSA-N 358.360 2.848 0 50 FFAA CCOC(=O)c1coc(-c2ccc(NC(=O)NC3CCOCC3)cc2)n1 96149113 PZACKDKIRWWTBP-UHFFFAOYSA-N 359.382 2.819 0 50 FFAA Cc1cccnc1N1CCN(Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 91845880 AADVYAJKHNWPOA-UHFFFAOYSA-N 352.413 2.693 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 95379658 FAFWZYHOUKSLRZ-SFHVURJKSA-N 357.406 2.593 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c(C)o1 95390440 PQZCLNPKPVXDFB-JKSUJKDBSA-N 353.422 2.668 0 50 FFAA Cc1ccccc1OC1CN(C(=O)CCc2nc(-c3ccco3)no2)C1 91645737 QBKTZRYKOUYBAS-UHFFFAOYSA-N 353.378 2.860 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1F)CC2 91474248 MZMDRAOXEVWBGB-UHFFFAOYSA-N 363.433 2.709 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1ccccc1Cl)CC2 91713873 PBIMVNZBKDEDPV-QGZVFWFLSA-N 364.873 2.625 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1c(F)ccc(F)c1F)CC2 91586747 KJRFIWUZMFGDDJ-UHFFFAOYSA-N 354.372 2.969 0 50 FFAA O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cnn(CCC(F)(F)F)c1 181633727 FNRFKSPBJIWODB-CYBMUJFWSA-N 366.343 2.691 0 50 FFAA CN(C)CCOc1cccc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)c1 244633527 GELBABXWJJPZKA-JOCHJYFZSA-N 368.477 2.855 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)C1CCN(Cc2ccco2)CC1 244883994 YDGDYMGMUKAKFS-ZWOKBUDYSA-N 369.465 2.515 0 50 FFAA COc1ccc(CCNC(=O)COc2cccc3c2ccn3C)cc1OC 253413130 TWOAMTYIZFIABX-UHFFFAOYSA-N 368.433 2.933 0 50 FFAA biogenic CC1=C(CCN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)C(C)(C)CCC1 39380470 NRYDUQOCLLSVKU-WOJBJXKFSA-N 350.547 2.795 0 50 FFAA CN(C)c1ccc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)cc1 299785421 ZSBKDDJOLUACFT-UHFFFAOYSA-N 367.449 2.992 0 50 FFAA COc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc1C 299788824 XVPUJUXLWDGKOY-UHFFFAOYSA-N 368.481 2.632 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)Nc1ccccc1OC[C@@H]1CCCO1 299767086 CHYLTUDXHLJHSS-AWEZNQCLSA-N 374.466 2.868 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3ncnc4ccsc34)[C@H](O)C2)cs1 299782485 JHBUICRLAKUHLC-TZMCWYRMSA-N 361.496 2.504 0 50 FFAA CCc1nccn1CC1(CNC(=O)CSc2nc(C)cs2)CC1 299764834 MXQVLLSJFMRKIJ-UHFFFAOYSA-N 350.513 2.899 0 50 FFAA COc1cc(C)c(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)cn1 584884310 STKTZBJKOWRQHO-ZDUSSCGKSA-N 351.410 2.685 0 50 FFAA Nc1c(Br)cc(Br)cc1CNC[C@H]1C[C@H](O)C1 877811505 MGYSMKMHGCNGFR-GVJMRKKJSA-N 364.081 2.654 0 50 FFAA CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 1875326456 CHUKRBDKGNXDEE-UHFFFAOYSA-N 359.451 2.911 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3[C@H]4CC[C@@H]3C[C@H](CO)C4)c12 1875321339 FBBFQFIIHAWWCI-GNVIEFBESA-N 355.438 2.936 0 50 FFAA C=CC(=O)N1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 1875381240 OEFJXFKDAFFZFO-XHDPSFHLSA-N 371.264 2.662 0 50 FFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC3(n4nccn4)CC3)c12 1875302437 QJBJHFLPRCPIBL-UHFFFAOYSA-N 374.404 2.709 0 50 FFAA Cc1ccc(C2CC2)c(C(=O)NC[C@H]2C[C@H](c3nc(C)no3)C[C@H]2O)c1 952849519 WDNVRSNTYQPEQH-HDMKZQKVSA-N 355.438 2.848 0 50 FFAA COC1(c2nc(-c3cccc(Cn4ccnc4C)c3)no2)CCOCC1 952845849 XQVJWZVMZKRHNS-UHFFFAOYSA-N 354.410 2.942 0 50 FFAA O=C(Cc1ccoc1)N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875403016 OXAWTYCRNYLVIN-BHIYHBOVSA-N 365.433 2.642 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccn(-c3c(F)cccc3F)n2)C1 888079325 WTVQMQUSNCEZFM-CZUORRHYSA-N 359.380 2.836 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccncc2OC(C)C)C3)n1 888098449 LTMGAFRCYCHPHD-LIRRHRJNSA-N 356.426 2.754 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-n2cccn2)cc1 1565514570 XOOAEJJHODGCRW-OALUTQOASA-N 355.438 2.742 0 50 FFAA CCO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Cl)s1 1565527305 XZLWBAOFSICBCJ-IUCAKERBSA-N 360.284 2.527 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)c1ccc(F)cn1)CC2 275804732 UWWNVKXHELVAKV-OAHLLOKOSA-N 360.458 2.804 0 50 FFAA COc1ccc(COCCCC(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)cc1 408518109 UPRLSHJASGGTQK-MRXNPFEDSA-N 374.441 2.570 0 50 FFAA CN(C)[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1Cl 188298093 ZONAHVPQNJOJKB-SFHVURJKSA-N 360.889 2.904 0 50 FFAA Cc1ccn(C)c1C(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 189110024 GJUDXSAUXRLJDA-HZPDHXFCSA-N 369.465 2.513 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H]1c1nc(-c2ccccn2)no1 1506404008 APIOCJVCDLOCSH-KRWDZBQOSA-N 374.404 2.914 0 50 FFAA COc1ccc(-c2onc(N[C@@H](C(=O)N(C)C)C(C)C)c2C(=O)O)cc1 1704315415 CRQNQEABOVJMPB-CQSZACIVSA-N 361.398 2.573 0 50 FFAA CCCOCCN1CCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 1704313186 GPVWQIFTOJKJDC-UHFFFAOYSA-N 359.426 2.588 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4COCC[C@]4(C(=O)O)C3)s2)c1 1772709174 IVNXKZAAJVOLLA-KUHUBIRLSA-N 374.462 2.742 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N4CCOCC4)cc3o2)cc1 11817242 OWQBGYGRDXMGOY-UHFFFAOYSA-N 352.390 2.900 0 50 FFAA Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1C 12003769 SRHVCDAZKXRYOJ-CYBMUJFWSA-N 372.446 2.868 0 50 FFAA COc1ccccc1Oc1ncccc1CNC1CCN(C(C)=O)CC1 12442284 MQBSVRXIYXMGAE-UHFFFAOYSA-N 355.438 2.983 0 50 FFAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2cnc(N)nc2)C1 12464767 FXJFBSHAHZMFCR-CYBMUJFWSA-N 360.845 2.816 0 50 FFAA COC(=O)CC[C@@H](C)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12470105 KHUUWXPSSUSHLI-GFCCVEGCSA-N 358.394 2.770 0 50 FFAA COc1cc(OC)c(C(=O)N2CCN(C3CCCCC3)CC2)cc1OC 13745693 HPWLSBJTABCKTJ-UHFFFAOYSA-N 362.470 2.803 0 50 FFAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1ccsc1)C2 14540611 MVVFFEFTNFVGSQ-HNNXBMFYSA-N 358.511 2.755 0 50 FFAA CSc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCCC1 16649557 BRSHHMYGZUYXGP-UHFFFAOYSA-N 368.524 2.819 0 50 FFAA COc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1 19841558 DXCKNCVCYLIYBG-UHFFFAOYSA-N 353.466 2.842 0 50 FFAA O=C(CC[C@@H]1COc2ccccc2O1)NC[C@@H]1COc2ccccc2O1 2867298 PNFVIPPDXIFZQI-HUUCEWRRSA-N 355.390 2.563 0 50 FFAA CCOC(=O)C1=NN(C(C)=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4866895 YFZCXPBITLWTJA-PKOBYXMFSA-N 364.401 2.803 0 50 FFAA CCOc1ccc(OCc2nc([C@@H]3CCc4ncnn4C3)n(CC)n2)cc1 1857679622 OGCZBUXWOYVPCB-CQSZACIVSA-N 368.441 2.597 0 50 FFAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3cc(-c4ccccc4)no3)C[C@H]2CO1 1857702417 AOLMEYMORYJCOG-JTDSTZFVSA-N 355.438 2.569 0 50 FFAA Cc1ocnc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857734421 JDAAZJLSRPGUBQ-HKUYNNGSSA-N 355.438 2.661 0 50 FFAA CC(C)CCn1c(CN2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)nc2ccccc21 1857734694 NDARXSLFPHMUTR-OALUTQOASA-N 370.497 2.514 0 50 FFAA CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCN1CCOCC1 908336 KUAKSGPWFATTFV-UHFFFAOYSA-N 357.454 2.772 0 50 FFAA CCOc1cc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1OC 114531740 HWEMYAFPQHSPSE-INIZCTEOSA-N 358.442 2.874 0 50 FFAA O=C(NCc1cnn2ccccc12)[C@@H](c1ccccc1)N1CCCCC1=O 367729123 OITHSGUFJBKQBS-HXUWFJFHSA-N 362.433 2.704 0 50 FFAA C[C@H](CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1)C(=O)O 485742359 IEXQAFSBAUAAEN-CQSZACIVSA-N 374.462 2.618 0 50 FFAA Cn1nc(C(=O)NC2CCN(c3cccc(F)c3)CC2)cc1OC(F)F 368779173 JGECLGGXFPVXFQ-UHFFFAOYSA-N 368.359 2.559 0 50 FFAA C[C@H](NCc1ccc(C(=O)O)s1)c1ccc(OCC(=O)NC2CC2)cc1 903676667 CNCJWKAVZOZTEE-LBPRGKRZSA-N 374.462 2.955 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 1704297573 BSBOJJUIHQPFRT-SJLPKXTDSA-N 370.415 2.553 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(O)c2)NC(=O)N1 4113520 SGBLQICKKLSOIM-GOSISDBHSA-N 368.389 2.642 0 50 FFAA O=C(CCN1CCC[C@H]([C@@]23CC[C@H]2CCN3)C1)N1CCc2sccc2C1 2325765192 XRMLJFIJUMJMJQ-BBTUJRGHSA-N 373.566 2.877 0 50 FFAA CO[C@H]1C[C@@H]2C[C@@H](C(=O)N3CCc4cc(CCC(=O)O)ccc4C3)C[C@@H]21 2325775338 XTGJVDITRQCTRD-RDGPPVDQSA-N 357.450 2.650 0 50 FFAA O=C(c1ccc(CC2CCC2)cc1)N1CCN(CC2CCNCC2)CC1 2325866991 HFDICFAJRVQRCP-UHFFFAOYSA-N 355.526 2.787 0 50 FFAA C=Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3cnc(C)[nH]3)C[C@H]2C)cc1 2325870339 SWNJNRMADVAOEE-ZIAGYGMSSA-N 352.438 2.736 0 50 FFAA CNc1ccc(C(=O)NC2(C)CCC(NC(=O)c3ccon3)CC2)cc1 2325871784 ZTYOFYPKMNMFNT-UHFFFAOYSA-N 356.426 2.577 0 50 FFAA COc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(C)(=O)=O)c1 821483 QSQQSWNSDQDACN-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA CCC(=O)Nc1cccc(C(=O)Nc2ccccc2-n2nnnc2CC)c1 118741595 UIOUSEOLIVDUNB-UHFFFAOYSA-N 364.409 2.826 0 50 FFAA C[C@H](OC(=O)[C@@H]1SCCc2ccccc21)C(=O)NCCc1ccncc1 225857678 HCCKDICDOOCFBS-KBXCAEBGSA-N 370.474 2.703 0 50 FFAA CCC(=O)Nc1cccc(C(=O)NCCC2=CSC3=NCCCN23)c1 102141862 XUPWXGZGFUVVTA-UHFFFAOYSA-N 358.467 2.805 0 50 FFAA C[C@H](c1ccco1)N(C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 55281135 HVLLJAYRCHQWDN-MRXNPFEDSA-N 358.438 2.710 0 50 FFAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 54253817 CGGGANDSNBKONG-GFCCVEGCSA-N 364.751 2.935 0 50 FFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@@H](C)N1CCN(C)CC1 55119572 XMYSPJALLIZTEC-OAHLLOKOSA-N 373.526 2.752 0 50 FFAA C[C@H](CC(F)(F)F)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65456554 HIWXZDLMHWRXAQ-GFCCVEGCSA-N 350.406 2.770 0 50 FFAA Cc1ccc(NCCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)nn1 67612798 GSRNWXJOBSFNEQ-UHFFFAOYSA-N 368.462 2.842 0 50 FFAA CCCn1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)c(C)n1 72129142 WNPCULHWPDDUAJ-FQEVSTJZSA-N 366.509 2.917 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)Cn3cc(Cl)cn3)CC2)OC1=O 77286022 QEHNUKXJCSOYTO-ZDUSSCGKSA-N 368.865 2.539 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCCN(C(=O)[C@H]4CCCO4)CC3)oc2c1 65433232 GKIKTJMFEXTIMC-QGZVFWFLSA-N 370.449 2.903 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@](C)(O)C3)c(C)o2)cc2c1OCO2 67783863 KCPNYIYUTPWFPG-IBGZPJMESA-N 360.410 2.734 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 65362923 GVNINBPMAVLOLT-LLVKDONJSA-N 364.389 2.706 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)cc1 12466858 RHEAUOLKESHCOM-LJQANCHMSA-N 357.498 2.525 0 50 FFAA COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)cc1Cl 125053352 OXZOIKIAWIJBPW-ZBFHGGJFSA-N 351.878 2.974 0 50 FFAA O=C1NC[C@@H](CN2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)O1 67856622 BUWUXUUGHGYCLN-LBPRGKRZSA-N 367.327 2.827 0 50 FFAA Cc1c(Br)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)nn1C 2778303 QMKVWHJCTCAUPD-UHFFFAOYSA-N 357.296 2.530 0 50 FFAA CC(C)Cn1cncc1CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 72454413 VZTOHLYYEJUWLN-HXUWFJFHSA-N 374.504 2.747 0 50 FFAA Cc1nc(CN2CCN(Cc3ccccc3OC(F)(F)F)CC2)no1 123145841 KZCHWNBZRWRDFH-UHFFFAOYSA-N 356.348 2.594 0 50 FFAA Cc1cc(S(N)(=O)=O)sc1C(=O)NC[C@H](C)Sc1ccccc1 172919782 WXOOIOYBIFJTRE-NSHDSACASA-N 370.521 2.615 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@H]1c1ncon1 331746989 XVYUBKHLCTWHLH-CABZTGNLSA-N 372.208 2.744 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC[C@@H]1c1ccccn1 72440724 KTMCORMXTICFCE-GOSISDBHSA-N 364.453 2.823 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@H]1c1ccc(C)cc1 77505588 WSJYTLZTHQEUED-PKOBYXMFSA-N 362.433 2.616 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 215220599 ZOZYLUOYVJZRDI-LJQANCHMSA-N 353.466 2.847 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(O)nc2cc(F)ccc12 262342567 GHMIKGPMGGVJMS-JQAFLVLXSA-N 358.369 2.937 0 50 FFAA Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 374225192 NDNZPZIUINSANF-QGZVFWFLSA-N 367.449 2.667 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 216369253 AFFLEJYJGZQJHO-SFHVURJKSA-N 363.469 2.895 0 50 FFAA COc1cccc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)c1 39518766 VPICAIZNQAYUFB-LJQANCHMSA-N 372.513 2.611 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)NCCc1ccc(F)cc1 72142006 TUUWRZPUUZFYCR-GOSISDBHSA-N 361.461 2.945 0 50 FFAA COc1ccc(N2CCN(Cc3ccc4nsnc4c3)[C@@H](C)C2=O)cc1 72119519 PBGXPDSIMONNDT-ZDUSSCGKSA-N 368.462 2.937 0 50 FFAA O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CCOc2cc(O)ccc2C1 376654172 OGOWSUBKIHVJJE-SJORKVTESA-N 356.426 2.677 0 50 FFAA Cc1cccc(Cl)c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCO)C1 72417880 PPROUYSYHNKGEM-MAUKXSAKSA-N 350.890 2.844 0 50 FFAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)c3cc4ccccc4o3)C2)nn1 284824383 JTHREKLBOIWGOH-LJQANCHMSA-N 354.410 2.729 0 50 FFAA Cc1ccoc1C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71730186 BNNKAALRZGZHRP-UHFFFAOYSA-N 363.421 2.705 0 50 FFAA C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(OCC(=O)O)cc1 263147593 UQDPENAOCZBENP-CZUORRHYSA-N 355.390 2.579 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCN(C2CCSCC2)CC1 82108593 QHUJJFFZHWORME-UHFFFAOYSA-N 357.479 2.995 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223176682 SFGAKKNOTHWERN-SJORKVTESA-N 360.479 2.875 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 136299376 VLRDYICIAKSQTB-WRFANHODSA-N 362.857 2.736 0 50 FFAA Cc1cccc(N2CCC(NC(=O)CCN3CCCCCC3=O)CC2)c1 221321104 UBMQNUXTAJVWJA-UHFFFAOYSA-N 357.498 2.873 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)Nc1cc(N2CCCC2=O)ccc1C 426597437 TWZHHAQFUZVRGV-UHFFFAOYSA-N 357.414 2.867 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccc(C)c(C)c2)cc(-n2cccn2)n1 82230639 PTWMGHMTLGCJLH-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CN(C)C[C@@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1O 96140930 OTQBEFLHDNWEEV-HNAYVOBHSA-N 361.486 2.784 0 50 FFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 179007329 IRXFVOKJKGXUDZ-RUJXFNLJSA-N 351.450 2.742 0 50 FFAA CCN1CCC(CCNC(=O)N2CC[C@@](O)(c3ccccc3C)C2)CC1 426689987 WOEIDKMTIOJDRG-NRFANRHFSA-N 359.514 2.720 0 50 FFAA COc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 91988012 GRJQTXHWZNTTHA-DOTOQJQBSA-N 357.479 2.775 0 50 FFAA CN1CCN(C)[C@@H](CNC(=O)c2ccc(-c3nccc4ccccc34)cc2)C1 426533652 CBVICIYVZSBTSJ-FQEVSTJZSA-N 374.488 2.877 0 50 FFAA CC(C)CN1CCc2[nH]cnc2C12CCN(c1cccc([C@@H](C)O)n1)CC2 91943003 JRZQLRZKNPMDOC-MRXNPFEDSA-N 369.513 2.868 0 50 FFAA Cc1ncn(CC(=O)N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1C 92077215 YJXJLBLGTPDFIN-NRFANRHFSA-N 372.513 2.674 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c(F)c1 91327105 HDLJKGFOLIOAIT-JKSUJKDBSA-N 367.424 2.906 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)NCCc1ccccc1)C2 91452569 KLVZZJGYIQIDTQ-PKOBYXMFSA-N 355.482 2.662 0 50 FFAA Cc1cc(C)n(CCCNC(=O)c2cnc(Nc3ccccc3)nc2)n1 91649700 KVSRXLYVXQNLIK-UHFFFAOYSA-N 350.426 2.854 0 50 FFAA CC(=O)N1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)C(C)(C)C1 180395093 RDDPFZKTCQJGAR-UHFFFAOYSA-N 371.506 2.746 0 50 FFAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3nnc4n3CCCCC4)C2)c1 95362462 ASYZCHGBYDFVIZ-MRXNPFEDSA-N 368.437 2.723 0 50 FFAA CCc1cc(N2CCC(N(C)C[C@H]3CCCCO3)CC2)nc(N(C)C)n1 95520876 SFZCHRMMWMHEGN-GOSISDBHSA-N 361.534 2.575 0 50 FFAA Cn1nc(-c2ccccc2)cc1NC(=O)N1CCC[C@]2(CC1)CNC(=O)O2 95521620 VFDJONMMDWPXER-IBGZPJMESA-N 369.425 2.584 0 50 FFAA O=C(CCN1CCC[C@H]1C(=O)N1CCCCC1)Nc1cc(F)ccc1F 244872839 WFHXDENGKQHVSY-KRWDZBQOSA-N 365.424 2.770 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 244659523 HEEJKHAHNUTBPD-MQMHXKEQSA-N 353.392 2.671 0 50 FFAA Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@H](C)c3ncc(C)s3)n21 185015179 BVTCWFJNVMTNGH-GFCCVEGCSA-N 368.466 2.505 0 50 FFAA CCCN(Cc1nccn1C)C(=O)NC[C@H](c1cccc(C)c1)N(C)C 534667792 MBOAFAITXVHMSP-GOSISDBHSA-N 357.502 2.953 0 50 FFAA O=C(Nc1cnc2sccn2c1=O)N(CC1CCC1)C[C@@H]1CCCO1 299791567 DGUCLQGCSRYTCV-ZDUSSCGKSA-N 362.455 2.569 0 50 FFAA Cc1ccc2[nH]c(CCC(=O)N3CCC4(CC3)COC(=O)O4)nc2c1C 299782628 XMYIVPIPIXUBKX-UHFFFAOYSA-N 357.410 2.640 0 50 FFAA CC[C@H](C(=O)N(C)CCc1noc(C(C)C)n1)N1Cc2ccccc2C1=O 299768317 MBZRWGKTROQGSH-MRXNPFEDSA-N 370.453 2.629 0 50 FFAA O=C1OCCN1c1ccccc1NC(=O)N1CCC[C@H]1Cn1cccn1 299767649 JEUCUGQZVMMNDG-AWEZNQCLSA-N 355.398 2.536 0 50 FFAA O=C(Nc1ccc2cccnc2c1)N1CCCO[C@@H](CN2CCCC2)C1 299771966 XKXCQJPYNUQTAL-SFHVURJKSA-N 354.454 2.953 0 50 FFAA Cc1ccnn1CC(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCC2 862224130 UVRDWRFYWYPSTK-IBGZPJMESA-N 352.482 2.610 0 50 FFAA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@H]1COc2ccccc21 874597581 QWFZTMUSVNGSSD-WBVHZDCISA-N 352.390 2.646 0 50 FFAA CCN(C(=O)COC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)C1CC1 1875252649 IBSZTPHDCQFDGV-UHFFFAOYSA-N 371.437 2.869 0 50 FFAA C=CC(=O)NCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncnc2c(C)csc12 1875386112 JECFRFOXJJBWCD-TZMCWYRMSA-N 372.494 2.933 0 50 FFAA C=CC(=O)N(Cc1ccc(-n2cccn2)cc1OC)CC1CCOCC1 1875386151 KCKUXNGEJLXFKW-UHFFFAOYSA-N 355.438 2.822 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)NC[C@@H]3CCCc4nccn43)ccc21 1875302786 HKRAZFQMAGRMFP-KRWDZBQOSA-N 364.449 2.656 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2[C@H]3CCC[C@H]2N(C(=O)[C@H]2CC2(C)C)C3)ccn1 1875404942 DUNBIYWSRMDQKA-BSDSXHPESA-N 355.482 2.793 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cc(C(F)F)[nH]n2)cc1Cl 952970516 AOIOWWLWYLYFIO-UHFFFAOYSA-N 358.732 2.838 0 50 FFAA COc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(OC)c1 952968924 GGHYSQVUJSPGDX-LBPRGKRZSA-N 370.405 2.629 0 50 FFAA COCC(=O)Nc1cc(NC(=O)c2c(C)[nH]c(C(C)=O)c2C)ccc1OC 952873778 OJDAJKLGORVIAW-UHFFFAOYSA-N 373.409 2.680 0 50 FFAA CCN1CCO[C@@H](CNC/C=C/c2ccc(F)cc2)[C@@H]1c1cncn1C 888102713 HYFJKAIRZFTJFC-UVEXCMSLSA-N 358.461 2.624 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)Cc1ccccc1OCc1ccccc1 1565529419 NPNKNVLZXIEFRU-ICSRJNTNSA-N 355.434 2.728 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)c(C)o1 1565516036 OFDPBPAWCULZFX-WBVHZDCISA-N 353.422 2.668 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 1320584425 RLCQJSDEQVXYCH-IBGZPJMESA-N 356.426 2.512 0 50 FFAA O[C@H](CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)CC(F)(F)F 189197733 XIQSNBSHSSWRKL-HNNXBMFYSA-N 369.387 2.773 0 50 FFAA Cc1ccccc1-c1nc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)cs1 192310953 QIENWANTORPROS-ZDUSSCGKSA-N 364.492 2.768 0 50 FFAA COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc3c(c2)CCO3)CC1=O 192829629 NLJWNRCVULVVQX-HNNXBMFYSA-N 366.417 2.930 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1csc(-c2ncccn2)n1 1506416149 IPRJBXDINBAAOB-UHFFFAOYSA-N 368.397 2.888 0 50 FFAA O=C1N[C@@H](CC(=O)N2CCOc3ccc(Cl)cc3C2)c2ccccc21 1506398101 VRXMUXTXIAZXFL-INIZCTEOSA-N 356.809 2.936 0 50 FFAA Cc1cc(C)c(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)c(-n2cccn2)c1 1529181759 VWHDZSBXZZWZDN-DENIHFKCSA-N 362.477 2.920 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccccc1C(F)(F)F 1704314046 NRFSXYQWZSINMF-UHFFFAOYSA-N 354.376 2.941 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704338435 ACKJYABTOHCMPH-FOIQADDNSA-N 362.433 2.511 0 50 FFAA Cc1nc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)n(C)c1C 1616077430 GNMGDBDQBMUUKS-PXNSSMCTSA-N 350.466 2.621 0 50 FFAA O=C(c1onc2ncccc12)N1CCC(c2nnc3n2CCCCC3)CC1 1775981820 WYBJQWGWOUIBEX-UHFFFAOYSA-N 366.425 2.561 0 50 FFAA O=C([C@@H]1CC2CCN1CC2)N1CCCN(c2nc3ccccc3s2)CC1 1775980518 CGFXFMARAYZSGA-KRWDZBQOSA-N 370.522 2.819 0 50 FFAA O=C(Nc1ccccc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12004006 OGEQAVZCWBZVCH-UHFFFAOYSA-N 364.810 2.659 0 50 FFAA CC(=O)N1CCC(N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)CC1 12430301 YOKWKTJEKLYASM-OAQYLSRUSA-N 357.542 2.884 0 50 FFAA Cn1cc(CN2CC[C@@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)cn1 12763149 QPPQLWUDAUSORN-FQEVSTJZSA-N 374.435 2.713 0 50 FFAA O=C(C1CC1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14754999 CLANSQBFHRZKIQ-HXUWFJFHSA-N 370.493 2.985 0 50 FFAA Cc1nonc1CN(C)[C@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 15004776 BECTUAZRHAWBBL-AWEZNQCLSA-N 364.396 2.669 0 50 FFAA O=C(NC[C@H]1COc2ccccc2O1)Nc1nnc(C(F)(F)F)s1 19792572 MGLVKBMQWBQFIP-ZETCQYMHSA-N 360.317 2.518 0 50 FFAA Cn1cnc(NC(=O)c2ccc([C@H]3CCCN3C(=O)c3ccoc3)s2)n1 19956179 JEFKPIKCHWSIPA-GFCCVEGCSA-N 371.422 2.699 0 50 FFAA CCOc1cc(C=O)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 4865962 ZBKULESCYSUZGJ-UHFFFAOYSA-N 368.433 2.625 0 50 FFAA Cc1ccccc1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 6715483 WEWNBZRPLKQUGO-UHFFFAOYSA-N 352.406 2.784 0 50 FFAA COc1cnc(C)cc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1857682771 RTOLAFUSJLHQLF-CYBMUJFWSA-N 359.813 2.587 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(c3nc(CO)cs3)C1)CC2 1857699883 CCOLVWGOBHIYII-LJQANCHMSA-N 374.510 2.913 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857734908 YJSNGEPJGIIUOR-CJNGLKHVSA-N 357.237 2.535 0 50 FFAA Cc1ccsc1C(=O)NC[C@H]1[C@H]2CN(c3ccccn3)C[C@]23CC[C@H]1O3 1875246310 LGCCXUANSNMVHB-QCBUCWTNSA-N 369.490 2.865 0 50 FFAA O=C1CCO[C@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccc1 1875246826 BDILTKPRLWLANX-PMACEKPBSA-N 354.425 2.828 0 50 FFAA c1ccc(-c2ncc3c(n2)[C@]2(CCCN(CCn4cnnc4)C2)CC3)cc1 1704315276 ZGYAZUDKRGIMCO-OAQYLSRUSA-N 360.465 2.715 0 50 FFAA O=C(O)c1ccc(-n2nnnc2Oc2ccc(Br)cc2)cc1 4597932 FRVLZXKVJYDAIS-UHFFFAOYSA-N 361.155 2.915 0 50 FFAA O[C@@H](c1ncc[nH]1)C1CCN(c2ncnc3[nH]c4cc(F)ccc4c23)CC1 842037689 DSTAPJYECJHZJL-MRXNPFEDSA-N 366.400 2.923 0 50 FFAA Cn1cnnc1N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760115 WNWCUGCKJQAXBE-UHFFFAOYSA-N 360.421 2.821 0 50 FFAA CN(C)Cc1ccc(C(N)=O)cc1NCc1nscc1Br 2325800839 ILQACJYKGGHMGJ-UHFFFAOYSA-N 369.288 2.678 0 50 FFAA CCn1cnnc1CCNc1cc(=N)[nH]c2ccc(Br)cc12 2325822276 NQZNNVDSBBLXJN-UHFFFAOYSA-N 361.247 2.676 0 50 FFAA C=CC(=O)NCC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 2325888684 QSEDNWVQAMIWCA-GFCCVEGCSA-N 369.284 2.747 0 50 FFAA COc1ccc(-c2onc(NCCn3nc(C)cc3C)c2C(=O)O)cc1 2356139331 WFVWFVLZKGKQQP-UHFFFAOYSA-N 356.382 2.974 0 50 FFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(OC(F)(F)F)CC1 2356154802 KIEYYSDDOXPSFB-OAHLLOKOSA-N 357.376 2.746 0 50 FFAA Cc1c(-c2cc(C(=O)NCc3cccc4ncsc34)no2)cnn1C 2356156585 JJEXCKRAUBZVIC-UHFFFAOYSA-N 353.407 2.923 0 50 FFAA COc1ccc(CNC(=O)C2CCN(c3nc(C)c(C)c(C)n3)CC2)cc1 2356166452 YDMATRRLEZSKPB-UHFFFAOYSA-N 368.481 2.943 0 50 FFAA O=C1CC[C@]2(C(=O)O)N1c1ccccc1-c1nc(-c3cccc(F)c3)nn12 225401724 TWPVTAJDSCAFHV-IBGZPJMESA-N 364.336 2.629 0 50 FFAA Cc1nc(C(F)(F)F)nc(N2CCN(C3CCCC3)[C@@H](CCO)C2)c1C 106943675 DZKGAMNOPDMDFC-HNNXBMFYSA-N 372.435 2.928 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)c2cc(Cl)c[nH]c2=O)s1 55415124 IYDGAHFMQMSFSO-UHFFFAOYSA-N 353.875 2.602 0 50 FFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccn3)C2)CC1 55211196 FMMQGUPTTAYSCU-IBGZPJMESA-N 364.493 2.817 0 50 FFAA Cc1cc(NC(=O)c2cccc(-n3cnnn3)c2)n(-c2ccccc2F)n1 116922192 GKZOXIRLCSMAMP-UHFFFAOYSA-N 363.356 2.548 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](Cn3cc(C4CCCC4)nn3)C2)nc(C)n1 55073653 FVPTWTDVWBUPRQ-MRXNPFEDSA-N 368.485 2.895 0 50 FFAA O=C1C[C@H](C(=O)N2CC=C(c3cccs3)CC2)CN1CC(F)(F)F 117719426 FARBPCQNEIPWLT-LBPRGKRZSA-N 358.385 2.775 0 50 FFAA CCc1cc(CN(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)on1 67872819 QMGKJPIGKBSMHT-UHFFFAOYSA-N 358.373 2.950 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1noc(C2CCCC2)n1 67956405 PVZNYBXINJAIRD-ZDUSSCGKSA-N 353.426 2.615 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)Nc1nc(-c2cccs2)n[nH]1 409413752 LJCHOGOSCBOFOM-UHFFFAOYSA-N 357.439 2.869 0 50 FFAA COc1cccc(-c2cccc(N3CCC(N4CCNC(=O)C4)CC3)c2)c1 23379547 SWZXLWZWSDMUOF-UHFFFAOYSA-N 365.477 2.763 0 50 FFAA CCn1cc(NC(=O)c2ccc(CN(C)[C@H](C)c3ccon3)cc2)nn1 65394957 SURJLBSNVGRYKH-CYBMUJFWSA-N 354.414 2.731 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c1 65364936 VISLACPITIEATG-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnccc2N(C)C)cs1 328641105 QIHBNAXZXHESHE-RDJZCZTQSA-N 363.506 2.615 0 50 FFAA Cc1cc(=NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)cc[nH]1 328604405 JOINEQZEZCVEHN-VQTJNVASSA-N 362.433 2.773 0 50 FFAA O=C(Nc1nc(-c2ccccn2)cs1)c1cnc2sccn2c1=O 61717799 GVMYFIDHMBNWFR-UHFFFAOYSA-N 355.404 2.527 0 50 FFAA O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N1CC(Oc2ccccc2)C1 67676257 RVHWJGIIDOIKDH-UHFFFAOYSA-N 373.416 2.711 0 50 FFAA Cn1ccn2ncc(C(=O)NCC[C@H]3CCCCN3Cc3ccccc3)c12 214968464 WIDRARNDAWPGJK-GOSISDBHSA-N 365.481 2.847 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC(O)CC3)n2n1 72427065 NPFPPWAQKBEYRR-UHFFFAOYSA-N 365.481 2.963 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 125511589 URLSZBQFOFYZHT-WMZOPIPTSA-N 371.460 2.530 0 50 FFAA COCCN1C[C@]2(CCCN(c3ccc(CSC)cn3)C2)CCC1=O 77505295 FFXVPIGYMALHMU-LJQANCHMSA-N 363.527 2.800 0 50 FFAA Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1C(=O)O 484819555 XSGCQCLMDJOJJH-UHFFFAOYSA-N 357.391 2.680 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3CCN(C4CCN(C)CC4)C3)cc2s1 365354948 IXIQSCATGFMFDC-OAHLLOKOSA-N 358.511 2.503 0 50 FFAA C[C@@H](c1nc(-c2ccc(O)cc2F)no1)n1nnc(-c2ccccc2)n1 445457429 RXUNCPXQPGUCNS-JTQLQIEISA-N 352.329 2.844 0 50 FFAA O[C@]1(CN2CCCCC2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 77505969 VVHWARKSBCPYKE-FQEVSTJZSA-N 358.461 2.639 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2CCc2n[nH]c(=O)[nH]2)s1 72170568 NQLUCVLAPCIJQW-UHFFFAOYSA-N 352.423 2.636 0 50 FFAA C[C@H]1C[C@@H](c2cccs2)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 370998792 KPFBLPWQXUCBOF-DZGCQCFKSA-N 353.451 2.671 0 50 FFAA Cc1ccnn1CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72144725 PGONTDFWQKDVOB-CEMLEFRQSA-N 364.493 2.670 0 50 FFAA Cn1cc([C@@H](NC(=O)Cc2ccccc2C(F)(F)F)C2CC(O)C2)cn1 218794995 DILFVZCHNLCWAG-AJUCZRQESA-N 367.371 2.610 0 50 FFAA CCC[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1 77471779 OTSINSATJTUIOB-CQSZACIVSA-N 364.511 2.838 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218800504 BHGBKMZEILRZTI-QYGXFBIXSA-N 364.449 2.909 0 50 FFAA CCc1nnsc1C(=O)N[C@@H]1CCCN(Cc2cccc(OC)c2)C1 72431390 NOJYLTXEWHBTQR-CQSZACIVSA-N 360.483 2.504 0 50 FFAA COc1ccccc1N1C[C@H](C)N(C(=O)Cc2sc(C)nc2C)CC1=O 82083265 YALPOMHYBDKQHA-LBPRGKRZSA-N 373.478 2.575 0 50 FFAA CCCCc1cn(C[C@@H]2CCCN(C(=O)c3cnc(CC)nc3)C2)nn1 48148080 QGSQCRAJRKIXIY-OAHLLOKOSA-N 356.474 2.526 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2conc2-c2ccccc2)C1 82156263 AHWHFAROJUPYOZ-OAHLLOKOSA-N 364.405 2.810 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772462 OAHMLWQISGEXBB-LPFFLQMXSA-N 366.454 2.754 0 50 FFAA in-vitro O=C(c1ccc2scnc2c1)N1CCCn2nc([C@H](O)C3CC3)cc2C1 223304315 UDPGEQAJNXJVIG-GOSISDBHSA-N 368.462 2.982 0 50 FFAA O=C(Nc1ccnn1C1CCCC1)N[C@@H]1CCCN(c2ncccn2)C1 96139272 GKZAKWCYFLUHQI-CQSZACIVSA-N 355.446 2.579 0 50 FFAA COc1cccnc1-c1ccc(C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)cc1 426379634 FMDQTDHVQQKMRM-NNZMDNLPSA-N 351.450 2.637 0 50 FFAA Cc1noc(C)c1CCCNC(=O)Nc1cc(-c2ccccn2)nn1C 96151306 MLVWNSBTYHMWSH-UHFFFAOYSA-N 354.414 2.841 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cccc(C)n3)C[C@H]2C(=O)O)c1OC 91254301 AVDJHOSJOBMFOD-DLBZAZTESA-N 356.422 2.707 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc3c(c2)OCCO3)C1 96153715 GHNOJICCFPQPLM-SFHVURJKSA-N 366.461 2.986 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)on1 91526882 HBQOPWGDWMTSHZ-UHFFFAOYSA-N 354.454 2.783 0 50 FFAA CSCCc1nc(CCNC(C)=O)n(Cc2c(F)cccc2Cl)n1 95521041 MLVPHTJLGRJQOD-UHFFFAOYSA-N 370.881 2.703 0 50 FFAA C[C@H](O)CCN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 268150982 KUAVKABCFLOSPF-FUHWJXTLSA-N 368.477 2.921 0 50 FFAA NC1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2O)CC1 91943382 AUUBNUAQWLDLBE-UHFFFAOYSA-N 367.236 2.719 0 50 FFAA COCc1noc([C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)n1 181502121 GNXSYBXNFARKLO-CYBMUJFWSA-N 350.850 2.748 0 50 FFAA Cc1nscc1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 181931520 OEQQWDHDRYRCNM-UHFFFAOYSA-N 367.833 2.842 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)C1(c2ccc(Cl)cc2)CC1 244633261 FZXILGXZNHBSFU-AWEZNQCLSA-N 361.829 2.965 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC(c3nc(C(C)C)no3)CC2)c1C 244673941 HYLYCRASQNJYBJ-UHFFFAOYSA-N 374.489 2.844 0 50 FFAA COc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)on1 184890255 YTFCISIKZJKREC-NWDGAFQWSA-N 356.300 2.650 0 50 FFAA C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@]1(O)C(=O)CO 253498126 OEUSFHQPBGKUNR-LSIQDJAISA-N 364.526 2.929 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299739812 RNUWFGVWDZIKHW-KRWDZBQOSA-N 354.450 2.826 0 50 FFAA O=C(O)COc1ccccc1CN1CCC[C@]2(C1)C(=O)Nc1ccccc12 72128341 JBLADDLPNJHTPW-OAQYLSRUSA-N 366.417 2.636 0 50 FFAA COCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 299757968 LTZYCRLTSITKDQ-JTQLQIEISA-N 357.336 2.826 0 50 FFAA Cc1cc(F)ccc1CN1CCn2nc(CNC(=O)C3CCC3)cc2C1 299757652 IGHUXHRHAHXISS-UHFFFAOYSA-N 356.445 2.763 0 50 FFAA Cc1c(NC(=O)NCC[C@H](C)n2ccnc2)cccc1-c1nncn1C 299795286 LAXLJXOUCYRFLV-ZDUSSCGKSA-N 353.430 2.760 0 50 FFAA Cc1n[nH]cc1C1CCN(C(=O)Cc2ccc(N3CCOC3=O)cc2)CC1 952845561 WEYOBMZXRANZJI-UHFFFAOYSA-N 368.437 2.623 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 1875306425 FREOPYQAVUFBJN-VQIMIIECSA-N 366.396 2.800 0 50 FFAA CCc1cc(C(=O)N2C[C@@H](NC(=O)c3c(C)cccc3Cl)C[C@@H]2C)n[nH]1 1875308217 UXHJEYKEDAUUDV-JSGCOSHPSA-N 374.872 2.967 0 50 FFAA Cc1sccc1C(=O)NCC(F)=C1CN(c2cncc(Cl)n2)C1 1875339225 XDEAOCOOEKLUPZ-UHFFFAOYSA-N 352.822 2.974 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@@H]3CCOc4c(F)cccc43)CC2)CC1 1875386446 QLMGCYLMAOSONX-MRXNPFEDSA-N 372.440 2.765 0 50 FFAA COc1ccc2c(c1)CC[C@]2(O)CNC(=O)N[C@@H]1CCc2c(O)cccc21 1875303618 FVDCFWZXWZIMTN-NQIIRXRSSA-N 368.433 2.521 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)NCC2(CN3CCN(C)CC3)CC2)cc1 952974908 VNEYYHTXRDMDHE-QGZVFWFLSA-N 361.555 2.619 0 50 FFAA O=C(N[C@H](c1c(F)cc(F)cc1F)C(F)(F)F)c1cc2n(n1)CCO2 888090958 CTBAULRWGIMVKP-GFCCVEGCSA-N 365.233 2.726 0 50 FFAA CO[C@]1(c2nnc(COc3cccc(F)c3Br)o2)CCOC1 888100518 BALOMVRLZUQAPB-CQSZACIVSA-N 373.178 2.812 0 50 FFAA O=C(c1cccnc1O)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565530961 SRPCZWKFACYAPT-WHSLLNHNSA-N 366.417 2.898 0 50 FFAA COc1cc([C@@H]2C3=C(COC3=O)Nc3cc(O)ccc32)cc(OC)c1OC 167755602 VYRSDQNDUVMDPP-KRWDZBQOSA-N 369.373 2.786 0 50 FFAA Cc1nc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)oc1C 275554762 PJFWYJGXKICXGB-OAHLLOKOSA-N 371.441 2.972 0 50 FFAA CC(=O)NCc1ccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)cc1 169985799 XYVCNRFPORNNBE-UHFFFAOYSA-N 366.417 2.521 0 50 FFAA COCCc1cc(Br)cc(Br)c1NC(N)=O 170618472 ISECVVXGRIDYJW-UHFFFAOYSA-N 352.026 2.891 0 50 FFAA O[C@@H](CN1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)c(F)c1 170942090 LZMSJEUNTBVJEM-KRWDZBQOSA-N 359.376 2.962 0 50 FFAA CCN(C(=O)CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1)c1ccccc1C 189356566 CBBSZAFOIXOSLB-DOTOQJQBSA-N 358.442 2.501 0 50 FFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCO[C@@]2(CCOC2)C1 189942355 OHROTMZARSGPOR-KRWDZBQOSA-N 362.817 2.549 0 50 FFAA CC(C)c1c(N[C@H]2CCN(c3cnn(C)c3)C2=O)cnn1-c1ccccc1 192761889 YJXZBUJHAWGQAQ-KRWDZBQOSA-N 364.453 2.947 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1Cl 1506413707 LSPWMAFKADCFFQ-ZDUSSCGKSA-N 369.874 2.646 0 50 FFAA O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)N1CCCCC1 1506425225 DTVTXFYVENGELH-UHFFFAOYSA-N 355.847 2.815 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 1529160034 WLJMSEUUCKJBKS-MRXNPFEDSA-N 367.453 2.689 0 50 FFAA O=C(CCc1cccc(O)c1)NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 1772711551 ZXYVINYFKYMVJZ-AGXSTUJCSA-N 366.465 2.781 0 50 FFAA O=C(NC[C@@H]1CC(Cc2cccc(F)c2)=NO1)c1[nH]nc2c1CCCC2 11963222 KWYJBWBWBJTLCD-HNNXBMFYSA-N 356.401 2.545 0 50 FFAA Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 12385855 XGESCXZFXPQMLC-LJQANCHMSA-N 362.437 2.574 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 12404171 ZHKHWQDYLPOEJE-OAHLLOKOSA-N 356.422 2.777 0 50 FFAA Cc1cc(C)nc(N2C[C@H]3[C@@H](C2)OC(=O)N3CCCc2ccc(F)cc2)n1 15064530 QAUHRIWLKPNXJE-ZWKOTPCHSA-N 370.428 2.875 0 50 FFAA Cc1nonc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 15077270 BZBKSDVHWNASST-HNNXBMFYSA-N 360.433 2.544 0 50 FFAA COc1ccc(Nc2ccc(-c3ccc(C)c(S(N)(=O)=O)c3)nn2)cc1 16651973 IOMRSNAVNFMKBL-UHFFFAOYSA-N 370.434 2.852 0 50 FFAA O=C(c1cc[nH]n1)N1CC[C@H](C2CCN(CCc3ccccc3)CC2)C1 19758489 WWLVUEHVDNQDGR-IBGZPJMESA-N 352.482 2.827 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@@H](C)CC4)cc1C 169760106 XUHPMIWDVBYWQE-ZDUSSCGKSA-N 364.449 2.876 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc3cc(C)ccc3nc1C)C2 1857681126 YXNUOGKZRVWIKA-FQEVSTJZSA-N 353.422 2.908 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3ccn4nccc4c3)C2)n1 1857727316 PTWZRJYZTNPVTG-OAHLLOKOSA-N 353.426 2.936 0 50 FFAA CN(C)C[C@H]1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 363777376 VVDKZASNXDQLEJ-HZPDHXFCSA-N 364.921 2.759 0 50 FFAA COC(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)nn1C 824179587 CQZZBGPRCSQSMS-INIZCTEOSA-N 354.410 2.966 0 50 FFAA COC[C@@](C)(CC(=O)O)NC(=O)c1ccc(Cl)cc1Br 831563528 MZXLYQOCWMKMFJ-CYBMUJFWSA-N 364.623 2.712 0 50 FFAA Cc1cc(C)c(N2CC[C@@H](OC(=O)c3nc[nH]c4nccc3-4)C2=O)c(C)c1 850008663 ZQQCQEWXXYOVKK-OAHLLOKOSA-N 364.405 2.797 0 50 FFAA O=C(Nc1ccccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6703046 LEFJAVFMQAIBPT-AWEZNQCLSA-N 365.842 2.527 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(C(=O)[C@H]2CN(C)C[C@@H]2c2cccnc2)C3)cc1 2325783918 KXOQARWYQVAADR-CUDBPUKSSA-N 361.489 2.835 0 50 FFAA C[C@@H](Nc1ncnc(N)c1Br)[C@@H]1CCCN(C2CCC2)C1 2325840058 NMMHCHKWERCUCP-GHMZBOCLSA-N 354.296 2.886 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)N[C@H](C)c1cccc(-c3nn[nH]n3)c1)O2 2325843075 SXBLPQGTGNPKOH-FZKQIMNGSA-N 363.421 2.746 0 50 FFAA COc1cccc(CNC(=O)CN2C[C@@H]3C[C@]3(c3ccc(C)cc3)C2)c1 2325868433 ZFJMWESNQLDTPA-SIKLNZKXSA-N 350.462 2.893 0 50 FFAA O=C(Nc1cccc(CNCc2cnc3ccccn23)c1)[C@@H]1CCCO1 238138916 LYTCPNRFXYZZOU-SFHVURJKSA-N 350.422 2.742 0 50 FFAA S=C(Nc1ccc2nccnc2c1)N1CCN(c2ccccn2)CC1 871665 QLQWKCQIPDFZKS-UHFFFAOYSA-N 350.451 2.544 0 50 FFAA Cn1cc(CC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)c2ccccc21 2356157190 DJKNSEGQICRSJQ-HXUWFJFHSA-N 356.466 2.643 0 50 FFAA C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc(O)ccc1Cl 225474671 HMEIIWIRTHDCLG-OAHLLOKOSA-N 373.884 2.986 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCC1 10541653 UPULIKQFQLESQI-CQSZACIVSA-N 350.484 2.652 0 50 FFAA Cc1ccc(-c2noc(CN3CCN(Cc4oc(C)nc4C)CC3)n2)cc1 225675706 PHWQFEAWXFTPSI-UHFFFAOYSA-N 367.453 2.968 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(Cl)c1Cl 9225487 RHTZWMPSUOXWQY-LOWVWBTDSA-N 356.253 2.721 0 50 FFAA Cn1c(S)nnc1CCNC(=O)C1(Sc2ccccc2)CCCC1 116751843 NLWXBYVPWWEMNW-UHFFFAOYSA-N 362.524 2.868 0 50 FFAA COc1ccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1 20860478 AEZOTHZAUBOAOE-RTWAWAEBSA-N 352.478 2.864 0 50 FFAA CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(Cl)cc2c1OCOC2 57211585 ZOIHNHIMKRTJJQ-RZNTYIFUSA-N 369.826 2.686 0 50 FFAA Cc1ccc(C)c(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 65364463 SVIOIUHQRKKTIG-UHFFFAOYSA-N 353.470 2.844 0 50 FFAA COc1cc(-c2c[nH]c([C@@H]3CC(=O)N(C(C)C)C3)n2)cc(OC)c1OC 23129191 XRHRRBQTGQLLPO-CYBMUJFWSA-N 359.426 2.827 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 67473255 SHNKBCKGLXIJPL-SFHVURJKSA-N 355.438 2.970 0 50 FFAA C[C@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 64857886 HNLDBJMVKYEERT-DOEOUOAPSA-N 372.502 2.670 0 50 FFAA in-vitro COc1ccc2c(c1)CN(C(=O)Cc1nn(C)c3ccccc13)CCO2 421898090 XIZWJIQTQOYYNE-UHFFFAOYSA-N 351.406 2.546 0 50 FFAA COCc1cc(N(C)Cc2nnc(-c3ccccc3)o2)n2nccc2n1 72458797 OZPOXUYHEAYPQL-UHFFFAOYSA-N 350.382 2.562 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)nc1 67713141 QNXBHWYOTRSDOQ-UHFFFAOYSA-N 362.433 2.904 0 50 FFAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 7058744 UXICORGILBHJOR-UHFFFAOYSA-N 362.426 2.539 0 50 FFAA Cc1nc(CCC(=O)NCc2cccnc2Oc2ccccc2C)n[nH]1 39448071 SJOLDTCGTBQQER-UHFFFAOYSA-N 351.410 2.858 0 50 FFAA C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(F)(F)C3)cn2)C[C@@H](C)O1 331852063 HYSPMESMQOGJCJ-VNHYZAJKSA-N 353.413 2.747 0 50 FFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@@H]1CCn1cccn1 77318868 AJBBRMMMVWPUAU-OAHLLOKOSA-N 350.422 2.810 0 50 FFAA CCNc1nc(C)cc(NCCNC(=O)c2cc(Cl)ccc2OC)n1 72436883 IUVBESDPEFWTJG-UHFFFAOYSA-N 363.849 2.721 0 50 FFAA O=S(=O)(c1ccc2c(c1)COC2)N1CCC[C@H](Nc2ccccc2)C1 330337345 ZXECPBJTZHXIAD-SFHVURJKSA-N 358.463 2.982 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(C(F)(F)F)cc3)C2)CN1CCO 77422091 BUKMJCOMDYQSMN-GOSISDBHSA-N 370.415 2.902 0 50 FFAA COc1ccc(O)cc1CN1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 72156875 ODCJJBXPSWBLDW-UHFFFAOYSA-N 354.450 2.862 0 50 FFAA Cc1ccc(CNC(=O)c2ccc(C(=O)O)cc2F)c(O[C@H]2CCOC2)c1 262776201 LTLVMJDPINTTOK-HNNXBMFYSA-N 373.380 2.930 0 50 FFAA CCn1cccc(NC(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1=O 333592246 BCQHQAITZVRXQI-FQEVSTJZSA-N 367.405 2.510 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237433163 IQPLODITMDJLMJ-UKRRQHHQSA-N 367.478 2.948 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 72437046 ZFGBMAILVRUGCW-UHFFFAOYSA-N 367.497 2.523 0 50 FFAA Cc1c(NC(=O)[C@@H]2CC23CCNCC3)cccc1C(=O)N1CCSCC1 237822105 PZDJRZXQWDJYPU-INIZCTEOSA-N 373.522 2.512 0 50 FFAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)CCn2cnnc2)CC1 77354801 OPIYNSVZIBGSGI-UHFFFAOYSA-N 364.453 2.773 0 50 FFAA CCCc1cc(N2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)nc(C)n1 77470895 VTECRDVTFHPYBR-FQEVSTJZSA-N 360.502 2.593 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)CCSc1ccc2c(c1)OCCO2 222589213 PRIRLUNVEJBXMO-AWEZNQCLSA-N 361.467 2.732 0 50 FFAA Cn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1 461079928 ADMOHMVYKNYRSJ-UHFFFAOYSA-N 353.451 2.789 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)C2)[nH]n1 82099578 GOBZVAFMPICKGJ-UHFFFAOYSA-N 360.417 2.874 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3c[nH]cn3)C2)CN1CCc1ccccc1 82098082 NZCWBWOPHODGAA-NRFANRHFSA-N 352.482 2.857 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2nccn2C(C)C)CC1 82137088 GHAIWNVICKTZDP-UHFFFAOYSA-N 373.453 2.971 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)N2CC(N3CCCC[C@@H]3C)C2)cn1 426360226 ZLDCCGJRXKXBAT-KRWDZBQOSA-N 367.497 2.949 0 50 FFAA O=C1c2ccccc2C(=O)N1CN1CCN(Cc2ccc(Cl)cc2)CC1 20045314 MASQSHQWEBEAOK-UHFFFAOYSA-N 369.852 2.711 0 50 FFAA Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nn1Cc1ccccc1Cl 226562722 NEQWYAKNXDUCNI-SRABZTEZSA-N 371.824 2.560 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 223596523 VVZHSNXDVQJLAE-QGZVFWFLSA-N 365.468 2.526 0 50 FFAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 82091232 ZSTXUIQDKHCOMV-INIZCTEOSA-N 355.438 2.819 0 50 FFAA O=C(CN1CCCCC1=O)NC[C@@H](c1ccccc1)N1CCCCCC1 97772999 RVFPVISXMCCDLL-IBGZPJMESA-N 357.498 2.732 0 50 FFAA Fc1cccnc1O[C@@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 292795875 QUDIOSIPPBWNLE-CYBMUJFWSA-N 354.389 2.743 0 50 FFAA Cc1c([C@@H](C)NC(=O)Cc2cn3ccsc3n2)cnn1-c1ccccn1 92037691 HRHKSHJTLFQAQE-GFCCVEGCSA-N 366.450 2.705 0 50 FFAA CCCc1cncnc1N1CCC(NC[C@@H]2COc3ccccc3O2)CC1 95512159 CXRIDRVFBNCNSH-GOSISDBHSA-N 368.481 2.828 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1C 239425980 VOGQPBMKWCFBNE-GLOHGQAKSA-N 364.445 2.684 0 50 FFAA COCCN(Cc1ccccc1C)C(=O)c1ccccc1-n1cncn1 97634943 KYYIIRGYJDVFTR-UHFFFAOYSA-N 350.422 2.865 0 50 FFAA O=C(NC[C@@H](c1ccncc1)N1CCOCC1)c1cc2c(s1)CCCC2 91425896 TWCJSBPLPUMKLL-KRWDZBQOSA-N 371.506 2.825 0 50 FFAA COc1ccc2cc([C@@H](C(=O)O)N3CCCN(C(C)=O)CC3)ccc2c1 95353850 VLOZHGNWBWJBJW-IBGZPJMESA-N 356.422 2.528 0 50 FFAA O=C1C[C@@H](c2ccccc2)CN1CC(=O)N(Cc1nccs1)C1CC1 95497557 ANYVDCLNPBMNLA-OAHLLOKOSA-N 355.463 2.650 0 50 FFAA CC[C@@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 97155805 ZICGUFJHZRHCHJ-MRXNPFEDSA-N 358.438 2.832 0 50 FFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCc2c(C)nn(C)c2C)C1 97346753 DSLKIXFLRZTVKQ-IBGZPJMESA-N 368.525 2.916 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cscn2)CC1 96131539 QRIOPYGLSWFGBR-UHFFFAOYSA-N 371.514 2.687 0 50 FFAA CN(C)C(=O)c1n[nH]c2c1CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 91486023 ZADBVAFTUHFSEZ-UHFFFAOYSA-N 370.497 2.603 0 50 FFAA CC(C)c1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)nc(N)n1 244893050 YULVCSVYONOSNT-GOSISDBHSA-N 371.460 2.888 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1COC[C@@H]1N1CCCCC1 244594046 DFNSVOGNTDOIBO-ROUUACIJSA-N 371.506 2.722 0 50 FFAA C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)N[C@H]2CCN(c3ccccn3)C2)C1 245505365 FXLPBYKHWAMAAA-QRVBRYPASA-N 373.545 2.718 0 50 FFAA COCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)o1 253378434 FFPYLBFNNJEVBN-ILMHXZGMSA-N 351.349 2.946 0 50 FFAA CCC(CC)C(=O)N1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1 299770761 MKSIEAQZLQEDNF-LJQANCHMSA-N 351.491 2.676 0 50 FFAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1CCc1ccccn1 299796260 NLBMDBFNSLFBPK-IBGZPJMESA-N 371.456 2.813 0 50 FFAA COc1cc(CCC(=O)N2CCC3(CCNC(=O)CC3)CC2)ccc1C 299764671 CHJSGQLGNZAVOI-UHFFFAOYSA-N 358.482 2.845 0 50 FFAA O=C(NCc1cccc(Cl)c1F)C1CCN(C(=O)[C@@H]2CCCO2)CC1 299772593 CXBQWUNRXRHWMK-HNNXBMFYSA-N 368.836 2.513 0 50 FFAA CCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(C)c(C)cc1OC 823086706 ZYDGEFLVYITIRZ-UHFFFAOYSA-N 351.472 2.739 0 50 FFAA CC(C)c1cnc(-c2cccc(C(=O)NCCc3nnc(N)s3)c2)nc1 584892088 NBKNNDJXEQBPKJ-UHFFFAOYSA-N 368.466 2.673 0 50 FFAA C=CC(=O)N1CCC(C(=O)N=S2(=O)CCCC2)(c2ccccc2)CC1 925909147 CNEUITLPJSVUMH-UHFFFAOYSA-N 360.479 2.521 0 50 FFAA CCOc1cc(CN=c2cc[nH]c(C(=O)N(C)C)c2)c2c(c1)C[C@H](C)O2 952961990 VIQRYDMWOKJANX-ZDUSSCGKSA-N 355.438 2.540 0 50 FFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)Cn1nc(C)c(C(C)=O)c1C)CC2 952981549 IRKHMHBECMOAAQ-CYBMUJFWSA-N 355.438 2.857 0 50 FFAA Cc1cc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)n2ccnc2c1 877870907 HYEAKOIOOISVAD-UHFFFAOYSA-N 355.463 2.540 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)/C=C/c1cc(CO)cs1 952981394 HTKKHYGSLMZVLO-LKGOPFMKSA-N 356.491 2.769 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1c(C)nn(C)c1C 952987439 KYYUTVLMAMJSBR-UHFFFAOYSA-N 369.425 2.975 0 50 FFAA CC(C)Oc1c(F)cc(NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1F 408048223 WEKLGMDHDTVEPS-HZPDHXFCSA-N 369.412 2.689 0 50 FFAA COc1ccccc1CN1C(=O)O[C@H]2CN(Cc3cccc(C)n3)C[C@H]21 1074534802 OWCUWHXTGSJVQD-MJGOQNOKSA-N 353.422 2.604 0 50 FFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 195530501 HWBUJARBXQITBC-MCIONIFRSA-N 367.243 2.639 0 50 FFAA O=C(NS(=O)(=O)c1cccc(Cl)c1Br)c1ccco1 755907071 PQQKKHFTPSQCRJ-UHFFFAOYSA-N 364.604 2.814 0 50 FFAA Cn1cc(C(=O)NS(=O)(=O)c2cccc3ncccc23)c2ccccc21 729202977 FWQWZZUPLMNAPK-UHFFFAOYSA-N 365.414 2.845 0 50 FFAA Cn1cccc1C(=O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506412142 MQJWQITYJCMARH-UHFFFAOYSA-N 354.385 2.629 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)nc(N)n1 1506397660 XCHPEOUKQZAKOB-QGZVFWFLSA-N 358.417 2.610 0 50 FFAA Cc1ccc(C)c(OCC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C 1529120548 ATFPISOEKPSUKK-RTBURBONSA-N 354.450 2.760 0 50 FFAA O=C(c1cccnc1N1CCC[C@H](OCc2ccccn2)C1)N1CCCC1 1529196912 JHZGBGDUKMWQRE-SFHVURJKSA-N 366.465 2.898 0 50 FFAA Cc1cc(NCCCN2CCC[C@H](C(N)=O)C2)c2cc(F)cc(F)c2n1 1529171796 BYUGIOWPCOUSNU-ZDUSSCGKSA-N 362.424 2.821 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CCN(C)C)Cc1cnc[nH]1 1704311507 MJGQITMKOLSXJN-CQSZACIVSA-N 364.877 2.729 0 50 FFAA Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)ccc1Br 850437 PQXHZISUZQXBOZ-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 11817517 LVBAGTCCSXQLCI-KRWDZBQOSA-N 362.426 2.855 0 50 FFAA COc1ccc(-c2noc(CN3CCCC[C@H]3CCNC(C)=O)n2)cc1 11840174 XITHOOXVOWRGSQ-INIZCTEOSA-N 358.442 2.626 0 50 FFAA Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12372502 CMHHMHQZDVRLAZ-SNVBAGLBSA-N 350.371 2.654 0 50 FFAA COc1ccc(CN2CCN(C(=O)Cc3ccccc3C)CCC2=O)cc1 14995684 YJARUIQAIIMNAU-UHFFFAOYSA-N 366.461 2.807 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 19842715 DWYJDLXOCQBSPY-UHFFFAOYSA-N 368.861 2.986 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3cccnc3)CC2)cc(C(F)(F)F)n1 169772371 FBDPYSHCAHFIDU-UHFFFAOYSA-N 365.359 2.598 0 50 FFAA Cc1cc(C)cc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 5152357 LQBUKYJIJGHFFV-UHFFFAOYSA-N 358.486 2.641 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 4731965 KNYRRTOANHYWAZ-MRXNPFEDSA-N 367.424 2.527 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2cccnc2)c(OCC)cc1C 4413178 WPAXNKDCWOKEQU-UHFFFAOYSA-N 350.440 2.666 0 50 FFAA CCN(CC)Cc1cc(-c2nccn2C[C@@H]2CN(C)CCO2)ccc1OC 1857676793 SNLRKHLINLHVMS-IBGZPJMESA-N 372.513 2.731 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(OC)c(Cl)c2)cn1 1857692448 FJYYINZVAOCNEZ-UHFFFAOYSA-N 373.844 2.924 0 50 FFAA O=C(Cc1cccnc1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857702009 VYHZTMYSDPPRNI-WOJBJXKFSA-N 366.461 2.898 0 50 FFAA C[C@@]1(C(=O)NCCc2nccc(-c3ccccc3)n2)CC12CCNCC2 1857702862 RJFXDXYLDXDDQQ-FQEVSTJZSA-N 350.466 2.582 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 238002324 GAPBGPVVOFAQKP-GFCCVEGCSA-N 370.243 2.931 0 50 FFAA Cc1ccc(C)c(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1 154175141 FNTFFYUOIKMREF-UHFFFAOYSA-N 362.477 2.858 0 50 FFAA O=C(CCCc1nc(O)c2ccccc2n1)N1CCC[C@H]2CNCCC[C@@H]21 366836002 CSQABMZFMIEDNC-YJBOKZPZSA-N 368.481 2.649 0 50 FFAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1csc(Cc2ccccc2)n1 263160051 IGYMDATVIWUFKE-HIFRSBDPSA-N 358.463 2.988 0 50 FFAA C[C@@H](C(=O)O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 263178029 GYHNTFUXXOKUTB-GDBMZVCRSA-N 373.453 2.741 0 50 FFAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCOC4(CCCCC4)C3)ccc2N1C 267336582 BETJTHYHXUSBKB-AWEZNQCLSA-N 357.454 2.639 0 50 FFAA N=c1[nH]c(N2Cc3ccccc3[C@H](N)C2)nc2ccc(Br)cc12 2325858607 UKFCRTWYLSIAFT-CQSZACIVSA-N 370.254 2.825 0 50 FFAA CCCCc1nc(C)cc(=NCCNC(=O)c2ccc(O)nc2C(C)C)[nH]1 2356153075 QBPGUOOUHCOHRF-UHFFFAOYSA-N 371.485 2.615 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(C)(C)C)on2)C1 6746991 SBAZATNFVMAHOK-ZDUSSCGKSA-N 371.503 2.753 0 50 FFAA COc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(OC)c1OC 112668966 ORYKEMHOGCMEMO-UHFFFAOYSA-N 373.453 2.768 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)c(F)c1 104404455 AAMWWQQKVPJVEL-GOSISDBHSA-N 374.456 2.609 0 50 FFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccs3)CC2)n1 21793745 XZHYFSAQLSQBKC-UHFFFAOYSA-N 371.510 2.799 0 50 FFAA Clc1ccc(OCCOCCN2CCOCC2)c(Br)c1 20118237 WIWJESUTTWFOAX-UHFFFAOYSA-N 364.667 2.830 0 50 FFAA COc1cccc2c1ccn2CC(=O)Nc1nnc([C@@H]2CCCO2)s1 61720816 SBORGPUDMVVSOU-AWEZNQCLSA-N 358.423 2.992 0 50 FFAA C[C@H](NC(=O)Cc1nn(C)c2ccccc12)[C@@H]1OCCc2sccc21 421573718 JMHOLHKTHXJNPU-BUXKBTBVSA-N 355.463 2.996 0 50 FFAA Cc1nc(-c2c(C)ncc3c2CCN(C(=O)CCn2cccc2)C3)no1 23159124 FBSMFHWRQAZINH-UHFFFAOYSA-N 351.410 2.525 0 50 FFAA CC(=O)N[C@@H](C)CC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67885879 WXTPDAYXXWWPRE-ZDUSSCGKSA-N 372.444 2.837 0 50 FFAA CCN1CCC[C@@H](CN(C)c2nn3cc(C)nc3s2)[C@@H]1c1cnn(C)c1 328628904 ODWFGVZWCONTRJ-GOEBONIOSA-N 373.530 2.742 0 50 FFAA CO[C@@H](C)c1noc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328654951 XWMUGFHJNCRRJY-IHRRRGAJSA-N 368.478 2.883 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Cn2cnc3cc(F)c(F)cc3c2=O)C1 282265507 SPVGBQZLGLTLKU-ZDUSSCGKSA-N 369.371 2.837 0 50 FFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1 72436787 ZXQMZCUGTGXTLR-UHFFFAOYSA-N 354.458 2.618 0 50 FFAA CC1=NN(C(=O)CSCc2cccc(F)c2)[C@](O)(C(F)(F)F)C1 6263562 KIQIIJJPEZPKAY-CYBMUJFWSA-N 350.337 2.918 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 77353517 TWXRVIIJTBKHKM-NRFANRHFSA-N 370.497 2.916 0 50 FFAA Cc1cccc([C@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)C2CC2)n1 216535133 ORVOJDQYEZAKFK-OAHLLOKOSA-N 368.462 2.888 0 50 FFAA COc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2S(C)(=O)=O)C1 153160011 URRVEQVUYVFWJD-CQSZACIVSA-N 359.447 2.728 0 50 FFAA Cc1ccccc1CNC(=O)CN1CCC[C@@]2(CCC(=O)N(C(C)C)C2)C1 77471198 NYVWRCJPFWJPFL-JOCHJYFZSA-N 371.525 2.724 0 50 FFAA Cc1noc(CNC(=O)N2CCC3(CCN(Cc4ccccc4)C3)CC2)n1 363108545 WAUBTMCNDRSHFY-UHFFFAOYSA-N 369.469 2.576 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(c3nccc4ccccc34)C2)n1C 72427035 WWTIPVSBZPFMBA-MRXNPFEDSA-N 350.470 2.809 0 50 FFAA Cn1nc(-c2ccsc2)cc1NC(=O)C1CCN(c2cnccn2)CC1 488299230 SAYSURGVZPCQLE-UHFFFAOYSA-N 368.466 2.794 0 50 FFAA Cc1cccc2ncc(C(=O)N(C)Cc3cccc4cnccc34)c(=O)n12 77408135 BJXZSMLYXGEUKW-UHFFFAOYSA-N 358.401 2.823 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCO1 238196785 XVEZOBFPJUVZST-RAIGVLPGSA-N 357.328 2.511 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1c(O)cc(F)cc1F 130286389 RRXNIXLDIWOAOM-HNNXBMFYSA-N 360.360 2.591 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccnc3N)C2)cc1OC 71638773 ZLLYUTFCDBISET-OAHLLOKOSA-N 355.438 2.776 0 50 FFAA CCOc1ccc(-c2ccnc(N3CC[C@H](COC)C3)n2)cc1C(=O)O 72409226 SAQXTTPXKYPWRY-ZDUSSCGKSA-N 357.410 2.713 0 50 FFAA Cc1cccc2c1O[C@@H](C(=O)N1CCCc3cc(S(C)(=O)=O)ccc31)C2 459994719 MMNZQJXYOAVWCJ-GOSISDBHSA-N 371.458 2.681 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)NC1CCN(c2ccccc2)CC1 222807289 ZTQJVCSNSJPSPD-IBGZPJMESA-N 354.450 2.520 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(C(F)F)n[nH]1 223070779 QIDAJNMIRMBWGU-PPUFBPAQSA-N 363.364 2.524 0 50 FFAA CSc1ccc(NC(=O)NCc2cc3n(n2)CCCN(C(C)=O)C3)cc1 82148515 URGKCVCOYHMRLM-UHFFFAOYSA-N 373.482 2.679 0 50 FFAA C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cnn(-c2ccccc2)c1 220466439 MZCNYODIRHDJRV-CQSZACIVSA-N 365.389 2.685 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82136961 GGMYDCXOWFQWJM-GOSISDBHSA-N 362.433 2.640 0 50 FFAA CCc1c(C)nn(CC(=O)N[C@H](Cn2ccnc2)c2ccccc2)c1C 220365561 VXTYGHAQEZAOSP-LJQANCHMSA-N 351.454 2.817 0 50 FFAA O=C(NCCN1CCN(Cc2ccccc2)CC1)N1CCCCCCC1 426562816 CVXAJJJWOWSFIT-UHFFFAOYSA-N 358.530 2.780 0 50 FFAA COc1cccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)c1OC 82099152 MOADNIXJIAXWNI-HNNXBMFYSA-N 368.433 2.890 0 50 FFAA O=C(O)CCc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1 334162637 DJIUTBRDXVTUMD-UHFFFAOYSA-N 363.417 2.973 0 50 FFAA COc1ccc(C(C)=O)cc1NC(=O)N1CCC[C@H]1C(=O)N1CCCCC1 96150145 GTOZNUPANFNWSS-KRWDZBQOSA-N 373.453 2.907 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccc3nc(C)[nH]c3c1)C2 95381443 JOUKSCLPPXBRRN-OAHLLOKOSA-N 351.406 2.747 0 50 FFAA O=C(c1ccc(-c2cncnc2)cc1)N1CCC(N2CCSCC2)CC1 426662333 TUWCENPYPCTVEB-UHFFFAOYSA-N 368.506 2.797 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)OCO3)C2 91943086 AQDKCJVXUFCJFL-DLBZAZTESA-N 354.454 2.543 0 50 FFAA O=C1[C@H]2CC[C@H](CN(C3Cc4ccccc4C3)C2)N1Cc1cscn1 91320732 QJZDEEFDSGSQTE-FUHWJXTLSA-N 353.491 2.733 0 50 FFAA COc1ccc([C@@H]2CN(Cc3ccc(CO)o3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95360574 ROYIMVCBGBQCAG-BHDDXSALSA-N 368.477 2.843 0 50 FFAA CC(C)OCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95391271 LCEUIQADDZYEIG-DFQSSKMNSA-N 364.436 2.778 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCC2(CC1)OCCC[C@@H]2O 95353870 AQHYONMVEFIGOW-IBGZPJMESA-N 356.466 2.872 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 97773071 YXTLZBLGQZQXOD-QGZVFWFLSA-N 354.454 2.797 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)O 95380092 AFNOQBODOPDOJZ-SFHVURJKSA-N 370.453 2.568 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCCC[C@H]3c3cccnc3)cc2)C(=O)N1 97514260 BNCXFRAMFHHMSV-KRWDZBQOSA-N 364.405 2.505 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CSc3ccncc3)C[C@H]2C(=O)O)c1 91535339 SUBJWNVVSZCICX-DLBZAZTESA-N 372.446 2.509 0 50 FFAA Cc1ccnc(NCCNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)c1 91973968 UMVZBMKIGZGWFV-GOSISDBHSA-N 372.513 2.737 0 50 FFAA CN(C)C(=O)CN1CCC(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 95521562 IJNKXUDWVIGOMF-UHFFFAOYSA-N 369.868 2.998 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(Cc2noc(C3CCCC3)n2)C1 91808159 BCKFAJNWHJYSPO-MRXNPFEDSA-N 359.474 2.950 0 50 FFAA Cc1nnsc1CNC(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 297070180 MCBVYDAKDJLHCE-CYBMUJFWSA-N 352.847 2.863 0 50 FFAA C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1nnc2ccccn12 183787058 QDVXLNNYETZDSG-CQSZACIVSA-N 371.872 2.910 0 50 FFAA COc1cccc(CN[C@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 263616611 JRPMZJYOKAHUGS-QGZVFWFLSA-N 354.435 2.652 0 50 FFAA CO[C@H]1COC[C@@H]1NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 824506872 XSWLJAFZAFUSCZ-AAEUAGOBSA-N 372.368 2.973 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 734996117 DEUVVVSRLRYOGD-UHFFFAOYSA-N 350.378 2.710 0 50 FFAA Cc1cc(C)cc(-n2ncc3c(N[C@@H]4CCNC(=O)CC4)ncnc32)c1 1875295425 XRHCKRCBKJZWHD-AWEZNQCLSA-N 350.426 2.513 0 50 FFAA COc1ccc(CN(Cc2ccncc2)C(=O)C2=C(C)OCCO2)cc1 952869627 KPQXVDWBYYPRLZ-UHFFFAOYSA-N 354.406 2.897 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 952990134 KMMVZOYJGJHCDT-HNNXBMFYSA-N 353.401 2.677 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C2)ccn1 886095380 UIXJYCVLYLWVGT-KRWDZBQOSA-N 354.454 2.642 0 50 FFAA CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(Cl)nn1 1306907162 OLHOQARQSYXYNR-UHFFFAOYSA-N 368.865 2.849 0 50 FFAA NC(=O)c1cccc(Cn2c(=O)oc3cc(F)c(Br)cc32)c1 170612196 PYISVVHJFSFYMI-UHFFFAOYSA-N 365.158 2.643 0 50 FFAA Cc1cccc(CC2(O)CCN(C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)c1 280596144 NRLGSMUPBBIZIR-GOSISDBHSA-N 371.525 2.724 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)N(C)Cc2cc3ccccc3s2)C1 1506415078 UTYQWWJNWNIKHP-AWEZNQCLSA-N 368.524 2.936 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCC(Oc3cccnc3)CC2)CC1 1506428645 PVEJBRSLAPWNHL-UHFFFAOYSA-N 366.465 2.625 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)CC2CCCCC2)OCC(=O)N1C 1529118940 QHGIUGFRAYYCQQ-UXHICEINSA-N 358.482 2.932 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCOC[C@H](CN(C)C)C2)o1 1772702232 QNEPFTNZUUACGK-OAHLLOKOSA-N 360.458 2.540 0 50 FFAA O=C(COc1ccc(Cc2ccc3c(c2)OCO3)cc1)NC[C@H]1CCCO1 1772816594 WSMFQWIFLGZIFT-GOSISDBHSA-N 369.417 2.680 0 50 FFAA Cn1nccc1C(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 11817086 GISYKWTXIAJLQL-AWEZNQCLSA-N 353.344 2.523 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CNCc3cc(F)ccc3F)C2=O)c1 12316028 LYGFNXFYSXENSF-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA CCn1cc(C(=O)NCCc2ccccc2OC)c(=O)c2ccc(C)nc21 12408719 LWYLNCDKYRKWCD-UHFFFAOYSA-N 365.433 2.706 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 12437366 FRMKOJQDPHZLBF-INIZCTEOSA-N 355.438 2.955 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)NCCn1cccn1 12594461 RGXURLARBQOZOL-GOSISDBHSA-N 363.417 2.950 0 50 FFAA CNc1nc(C)c(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)s1 14964440 KSDWZDIWICTFKG-MRXNPFEDSA-N 358.511 2.930 0 50 FFAA COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCCC4)cc1 1205004 VCEWIZUJFMOBEC-UHFFFAOYSA-N 352.419 2.982 0 50 FFAA Ic1ccc(OCCCCN2CCOCC2)cc1 19607434 KSKOBZIUIQSGCN-UHFFFAOYSA-N 361.223 2.782 0 50 FFAA O=C(c1cccnc1)N1CCN(Cc2ccccc2Br)CC1 19831826 BKFVJLXGEBZNGX-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA O=C1NC[C@@H](NCc2ccc(F)cc2F)n2nc(-c3cccs3)cc21 169754503 LJBYIKJJMMEITO-INIZCTEOSA-N 360.389 2.922 0 50 FFAA O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccccn1 4487358 SOGZKSKSKLYVEM-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA COCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 1891418 GBCYVNMDEMMEQZ-UHFFFAOYSA-N 359.378 2.516 0 50 FFAA CCOC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 4838327 NXGWDMUOEWAGGM-UHFFFAOYSA-N 364.423 2.742 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@@H]1C(=O)O 216980662 APYOGPUTHATKDZ-SJORKVTESA-N 361.401 2.879 0 50 FFAA COC[C@H]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1 113602439 OHRJHMHBUPKSSM-INIZCTEOSA-N 364.461 2.942 0 50 FFAA Cc1c(C(=O)N(C)Cc2cc3ccccc3o2)nnn1C1CCNCC1 237216669 UVHMQOLVVAVANG-UHFFFAOYSA-N 353.426 2.529 0 50 FFAA Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)c1 128271188 GGERYTIHUOYEIG-SFHVURJKSA-N 365.481 2.501 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C)cn3)CC2)cc1 133815110 TXJFMLKYSLJKMR-UHFFFAOYSA-N 359.495 2.641 0 50 FFAA CC(C)c1nc([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)no1 378612734 XMBNJULKKJYSAZ-INIZCTEOSA-N 352.394 2.955 0 50 FFAA Cc1cc(C(=O)N2CC3(COc4ccccc4C3)C2)c2c(C)nn(C)c2n1 2100477655 FSODCRKYGHCPGL-UHFFFAOYSA-N 362.433 2.662 0 50 FFAA Cc1ccc(CN2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)cc1 19881897 AQGNNQZNPLCEQN-AWEZNQCLSA-N 356.403 2.508 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)Nc1nc(-c2cccc(O)c2)cs1 2325798621 HOSWYNFFXMQZKP-ZDUSSCGKSA-N 365.480 2.712 0 50 FFAA CCc1ccc2c(c1)[C@H](CC(=O)N[C@@H](C(=O)OC)[C@H]1CC=CCC1)C(=O)N2 2325823731 BUNXKQDSENQDIG-URLQWDBASA-N 370.449 2.689 0 50 FFAA Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 850873 KSBFILJASBFVJH-UHFFFAOYSA-N 372.494 2.539 0 50 FFAA CC(C)(C)n1ccc(-c2nc(-c3ccccn3)nn2C[C@H]2COCCO2)c1 2356141979 YNVOXJAKXFKEFU-INIZCTEOSA-N 367.453 2.979 0 50 FFAA Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 3592499 YIHSCLLUGLPVMQ-UHFFFAOYSA-N 358.379 2.535 0 50 FFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCC4(CCCCO4)CC3)cn12 2356157677 QNRJMMADPOURTB-KRWDZBQOSA-N 372.469 2.594 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1 2356169237 XNVKGGFMPJNDAE-FQEVSTJZSA-N 373.453 2.871 0 50 FFAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)cc1 6680540 HGALSSBTWRHPKZ-UHFFFAOYSA-N 366.464 2.794 0 50 FFAA CC1(C)[C@H]2CC=C(CN3C[C@H]4[C@@H](C3)[C@@H]4C(=O)NCc3ccccn3)[C@@H]1C2 102004706 WDARLKADQREFNI-MVBLQPKNSA-N 351.494 2.868 0 50 FFAA CC/C=C/C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 43772417 SAKGBZWJAIABSY-KFWQDLJFSA-N 352.471 2.819 0 50 FFAA in-vitro CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 27642387 SAKGBZWJAIABSY-UPUQACTPSA-N 352.471 2.819 0 50 FFAA in-vitro Cc1nc(CN2CCN(Cc3cnc(-c4ccccc4)s3)CC2)no1 172254730 UCBGTMOABJCUPS-UHFFFAOYSA-N 355.467 2.819 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)c(C)c1 72426975 GGDUIQXVUOWQCA-LJQANCHMSA-N 370.493 2.981 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1 77422228 DNWIAGFLWVMJKN-KRWDZBQOSA-N 365.412 2.799 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3c(C)nc4sccn34)C2)CCC1=O 72439064 GSNGCQHQIUAOGA-SFHVURJKSA-N 360.483 2.569 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cccc4ccnn34)CC2)OC1=O 77469948 FCOPPAXQRQSHDF-OAHLLOKOSA-N 370.453 2.950 0 50 FFAA CCc1nc(C)c(CN2CCN(c3ncnc4scc(C)c34)CC2)[nH]1 65371886 VLOJHJLFNJSSLL-UHFFFAOYSA-N 356.499 2.916 0 50 FFAA CCN(C(=O)[C@H](C)N1CCC(N2CCCCC2=O)CC1)c1ccccc1 120298628 YJXILFCSXFSLQI-KRWDZBQOSA-N 357.498 2.905 0 50 FFAA Clc1ccc(Cl)c(-c2nn3c(CN4CCOCC4)nnc3s2)c1 36360574 QIKSTKCYADWBSQ-UHFFFAOYSA-N 370.265 2.992 0 50 FFAA O=C(CCN1CCC[C@H]1Cn1cccn1)Nc1nc2ccccc2s1 65372084 KKDOPTDMNJSPBJ-AWEZNQCLSA-N 355.467 2.986 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCCN1CCc3ccccc31)C2 216098434 MYJUCXBKNJHKJN-GOSISDBHSA-N 366.461 2.815 0 50 FFAA C[C@H]1CCCN(C(C)(C)CNC(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 363639156 WNFUWZHTMUVFKK-DOTOQJQBSA-N 363.506 2.694 0 50 FFAA COc1cc2c(cc1-c1nccn1-c1c(C)nn(CCO)c1C)CCC2 77539698 DIERDYHYEHQWFV-UHFFFAOYSA-N 352.438 2.842 0 50 FFAA COc1ccccc1N1CC[C@H](CNC(=O)N2CCc3ncsc3C2)C1 370414357 PWFYZCWQGSVLBQ-CQSZACIVSA-N 372.494 2.746 0 50 FFAA C[C@H](CN(C)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(=O)O 262366385 DOTPRDISMKWQND-CQSZACIVSA-N 363.435 2.607 0 50 FFAA CC1(C)CN(C(=O)[C@@]2(O)CCOC2)C[C@H](c2cccc(C(F)(F)F)c2)O1 331566334 JWVLWWBEVGGLRA-RHSMWYFYSA-N 373.371 2.535 0 50 FFAA O=C(CCN1C(=O)CCC1=O)N[C@H](Cc1ccccc1)c1ccccc1F 129909980 OKOYRYITIFDZSD-GOSISDBHSA-N 368.408 2.765 0 50 FFAA CN(CCCOc1cccc(Cl)c1)c1cc(C2CC(N)C2)nc(N)n1 219304426 YTIXGDARIJSIDU-UHFFFAOYSA-N 361.877 2.822 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccccc3C)C[C@H]2C)cc1O 77323687 OPQXFXNVVNERMP-CQSZACIVSA-N 354.406 2.587 0 50 FFAA Cn1nc(CN2CCN(CC3CC3)[C@H](CCO)C2)c2c(Cl)cccc21 215104110 OQDQQJJWCOBCNA-OAHLLOKOSA-N 362.905 2.505 0 50 FFAA Cc1nn(CC(=O)N2CCCC[C@H]2c2ccccn2)c(=O)c2ccccc12 72411194 KVCLBXNNYOLGSU-IBGZPJMESA-N 362.433 2.854 0 50 FFAA O=C(c1ccncc1Cl)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219692808 FCJSZQQZHKWSFI-SFHVURJKSA-N 368.824 2.669 0 50 FFAA COc1ccccc1-c1nn(C)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237327181 SEWIWGHRLKVLEW-AWEZNQCLSA-N 371.437 2.813 0 50 FFAA O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1Cc1cccc(N2CCOCC2)c1 333923744 SNMHSFJXDOUMTF-QRQLOZEOSA-N 369.465 2.619 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1 82147238 DLFLSTCOCHUJEU-IBGZPJMESA-N 369.465 2.741 0 50 FFAA CON1CCC(N(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 457318415 FJIPDANJWVYUNL-UHFFFAOYSA-N 371.485 2.987 0 50 FFAA CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)cc1 426415232 BBZZRIMHOMVTJI-OAHLLOKOSA-N 370.409 2.582 0 50 FFAA Cc1noc(CNC(=O)c2cc(-c3ccc(Br)cc3)on2)n1 227155849 UFYDMAXHUZTATC-UHFFFAOYSA-N 363.171 2.726 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CC[C@@H](c3ccccc3Cl)C2)c(=O)n1 426465324 VMLMGFHLUDKGAP-OAHLLOKOSA-N 359.857 2.920 0 50 FFAA CN(C)Cc1cccc(CNC(=O)N2CC(OCc3ccccc3F)C2)c1 426512337 VHCKYXKNJMPKGH-UHFFFAOYSA-N 371.456 2.998 0 50 FFAA Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3N3CCCN23)cc1 138545194 SVZPHXFGEWCRMT-XUVXKRRUSA-N 361.445 2.839 0 50 FFAA CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc(OC)cc1 20602054 ORGXJNXXTPFWPM-UHFFFAOYSA-N 351.472 2.739 0 50 FFAA CCCc1nnc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)s1 82136972 FEYUQAJVRGZGQH-UHFFFAOYSA-N 374.514 2.832 0 50 FFAA COc1nccnc1-c1ccc(C(=O)N[C@H](c2nccn2C)C2CC2)cc1 426372082 NTMDVKQNULDKRX-INIZCTEOSA-N 363.421 2.767 0 50 FFAA Cc1cc(S[C@@H](C)C(=O)NCc2nnc3n2CCC3)nc2ccccc12 223487972 IRSVEEWVACNNHN-ZDUSSCGKSA-N 367.478 2.878 0 50 FFAA CCN1C[C@@H](CNC(=O)N(C)Cc2csc(-c3ccccc3)n2)CC1=O 426518192 DAAGPDWLGBQYND-CQSZACIVSA-N 372.494 2.820 0 50 FFAA N[C@H]1CCN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)C1 95370054 APIXIFOBVWTRRL-NRFANRHFSA-N 363.505 2.780 0 50 FFAA Nc1nc(CCNC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)n[nH]1 95498245 JIILYBKZQHTYMY-HNNXBMFYSA-N 369.856 2.921 0 50 FFAA CC1CCC(N(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C2CC2)CC1 179371876 DFVXXAVXJKKHGN-UHFFFAOYSA-N 354.472 2.713 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(F)c1)C2 91943486 RLLUQJWZGUJXGW-WMLDXEAASA-N 368.412 2.989 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](OCc2ccccn2)C1 95376362 LXDFYSGFRKUFKT-GOSISDBHSA-N 364.449 2.948 0 50 FFAA O=C(CCc1cn2ccccc2n1)N1CC[C@@H](Cc2cccc(CO)c2)C1 91416617 GUWKMKKGJLFYHT-SFHVURJKSA-N 363.461 2.850 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1ccc([C@H]2CCCNC2)cc1 95376055 QOEJBHNGRSESFG-FQEVSTJZSA-N 353.466 2.837 0 50 FFAA Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CCN(C)CC2)CC1=O 95526604 ZVCMJKWPLDGZGZ-IBGZPJMESA-N 369.509 2.603 0 50 FFAA C[C@@H](C(=O)O)N1CC2(CCC1=O)CCN(Cc1cccc(F)c1F)CC2 91893403 GTIGXHGCROYRLB-ZDUSSCGKSA-N 366.408 2.643 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O 95509684 WHAJETAEALWQOU-CYBMUJFWSA-N 369.343 2.836 0 50 FFAA Cn1nc2cccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)c2n1 96180318 JKEHYGLTLRLOCI-HNNXBMFYSA-N 354.414 2.520 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)[C@@H](C(=O)O)c1ccc(-n2cccn2)cc1 95386188 JVKAIGMJDIGUBO-GOSISDBHSA-N 353.426 2.512 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91725459 HCGNYHJRBUDSBI-SJLPKXTDSA-N 360.523 2.717 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2[nH]c(C)c(C(=O)O)c2C)C1 91486721 ZSMWLNBPLMKKCN-LJQANCHMSA-N 362.426 2.993 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(C2CCSCC2)CC1 97480253 WMXCBHRNOZFCHQ-FQEVSTJZSA-N 373.566 2.519 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 238018038 FDCWASBMUGRLQI-CYBMUJFWSA-N 362.401 2.670 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 95354365 IOGRHNMFWKZNNS-UHFFFAOYSA-N 372.488 2.923 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 95508329 LPOLMIMZJQROPW-QGZVFWFLSA-N 368.481 2.759 0 50 FFAA CCc1ccc(NC(=O)CCN2CCC3(CCC(=O)N(C)C3)CC2)cc1 244866633 VZNLVQHZXFHHHV-UHFFFAOYSA-N 357.498 2.912 0 50 FFAA CN1CCc2ccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)cc21 183032852 VMTWXDSZCOBUSU-FQEVSTJZSA-N 351.450 2.518 0 50 FFAA O=C(O)c1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 299745945 UFKDTKSPSRUQJR-CVEARBPZSA-N 353.374 2.576 0 50 FFAA COC[C@@H](C)C1CCN(c2nc(-c3cccnc3)nc3c2cnn3C)CC1 72171533 PIOBQEXRBAXUOI-CQSZACIVSA-N 366.469 2.924 0 50 FFAA CC(=O)N1CCO[C@@H](CNC(=O)Nc2ccc(Cl)c(C)c2Cl)C1 299785166 QLPXEOUZHVMCLR-NSHDSACASA-N 360.241 2.671 0 50 FFAA CCN(CC)[C@H](CNC(=O)c1cc(C(F)(F)F)nn1C)c1ccco1 299801097 VVFVMWRMIBBPCS-GFCCVEGCSA-N 358.364 2.845 0 50 FFAA CSc1ncc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)c(O)n1 299782152 UMCGUJFIKFRIJV-UHFFFAOYSA-N 359.451 2.896 0 50 FFAA Fc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1F 299778163 PFDVXKARZWLBNP-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA CC[C@H](NC(=O)c1ccc(Cn2nnnc2C)cc1)c1nc(C)c(C)s1 822668905 VHYDIHOLUPQJPL-INIZCTEOSA-N 370.482 2.984 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCCN(Cc2cccs2)C1 826589743 QVRVUAFTCUSUQB-INIZCTEOSA-N 368.499 2.971 0 50 FFAA O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 864189214 KTSMAYUBWKMLLT-JKSUJKDBSA-N 353.374 2.827 0 50 FFAA CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncncc2Br)C1 269016572 OUVAACUOESLMGH-RYUDHWBXSA-N 355.280 2.760 0 50 FFAA C[C@@H]1C[C@@H](N=c2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1 1875280398 CVOZZWQTOSTRQM-RISCZKNCSA-N 367.496 2.583 0 50 FFAA C[C@@H](NC(=O)[C@@H]1NCCc2nn(C)cc21)c1ccc(C(F)(F)F)cc1 1875287422 KAPKDJGUVSOJSX-MEBBXXQBSA-N 352.360 2.503 0 50 FFAA O=C(NC[C@H]1CC[C@](O)(C(F)(F)F)C1)c1c[nH]nc1-c1cccs1 1875404493 KUURQYDANIPHMC-LKFCYVNXSA-N 359.373 2.962 0 50 FFAA CC(C)N(Cc1cc(-c2ccccc2)n[nH]1)C(=O)CCCn1cncn1 952872252 LKQPVTMHUPUTFF-UHFFFAOYSA-N 352.442 2.886 0 50 FFAA Cc1ccc(C)n1CC(=O)NC1CCN(Cc2nc3ccccc3[nH]2)CC1 886025187 BUCZLVSIGXBARQ-UHFFFAOYSA-N 365.481 2.762 0 50 FFAA O=S(=O)(N1CCCCC1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 952987838 LRQNUNVJPLXMBB-HNNXBMFYSA-N 362.455 2.604 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)NC1CCN(Cc2cccc(O)c2)CC1 952979775 ROOKCGSXYOPKFO-SNAWJCMRSA-N 372.490 2.740 0 50 FFAA Cc1cccc(C)c1CC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 886066018 KHGBBHPGOHSJFR-UWJYYQICSA-N 351.450 2.577 0 50 FFAA Cc1noc(CCC(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 275592456 HMEVZVJSUJOYIO-OAHLLOKOSA-N 360.483 2.543 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cnn(Cc3ccccc3)c2)cn1 275676458 VXFCOQCQRXNGRE-VQTJNVASSA-N 351.454 2.675 0 50 FFAA Cn1cc(CCNC(=O)N2CC[C@@H](N3CCCC3)C2)c2ccc(F)cc21 185853456 FAHPOFJMURLDSQ-QGZVFWFLSA-N 358.461 2.740 0 50 FFAA CCS(=O)(=O)c1ccc(C(=O)N(C)CCc2ccccc2OC)cc1 171531521 OWXHJKIVAPBSNP-UHFFFAOYSA-N 361.463 2.804 0 50 FFAA C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCC1 187813164 NCURAZWGWLKUPM-AWEZNQCLSA-N 359.470 2.802 0 50 FFAA CCc1c(C(=O)NC[C@H]2CCCC2=O)nnn1-c1ccc(OC(C)C)cc1 194126085 WFWWPZGZWJXMFW-CQSZACIVSA-N 370.453 2.716 0 50 FFAA CC(C)(C)n1cc(-c2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)cn1 771548555 ZAWYAYFEPGNWBF-FQEVSTJZSA-N 367.453 2.782 0 50 FFAA COc1ccc(CCCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529189833 AFMGIDDJUBILRE-IFMALSPDSA-N 369.461 2.979 0 50 FFAA Cc1cccc(OCCN2CC[C@H]3[C@H](CCC(=O)N3CCCCO)C2)c1C 222129782 PMMFJMMCNFRESP-UXHICEINSA-N 374.525 2.768 0 50 FFAA CCOc1cc(CN(CCO)Cc2cnc(C)[nH]2)c(Cl)cc1OC 1704326390 BPXJISPXTXZMDJ-UHFFFAOYSA-N 353.850 2.773 0 50 FFAA O=C(c1ccnc(N[C@@H]2CCCN(C(=O)C3CC3)C2)c1)N1CCCCC1 1704343844 FUNNUDSZTCLETD-QGZVFWFLSA-N 356.470 2.521 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 1133590 FNUJWGGTOMDXJF-XNTDXEJSSA-N 372.402 2.695 0 50 FFAA CCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O 1176618 PXIUVQPIBSDZTL-UHFFFAOYSA-N 350.422 2.733 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 11664464 QBBHKXCGFRYQEE-HNNXBMFYSA-N 351.410 2.565 0 50 FFAA O=C1CCCCN1CC(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 14965088 VZZXHAAWDRVXOH-LJQANCHMSA-N 366.461 2.622 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3cccc(OC)c3)C2=O)cc1 19533498 ZGDKRMHVGBBXBE-LJQANCHMSA-N 368.433 2.558 0 50 FFAA CCc1cccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1 169752715 ICYGWXTUMIIEMT-UHFFFAOYSA-N 363.421 2.518 0 50 FFAA COc1ccccc1C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 4868357 KVJSIBTXBABFGO-KRWDZBQOSA-N 373.474 2.833 0 50 FFAA Cc1ccc(COn2cccc/c2=N\S(=O)(=O)c2ccccc2)cc1 5413949 GJQMNBSCIGCQCL-FMQUCBEESA-N 354.431 2.715 0 50 FFAA CC(C)c1n[nH]cc1C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857529454 RMZJGYMNIBTJHK-ORAYPTAESA-N 355.442 2.987 0 50 FFAA COc1ncc([C@H](C)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1Cl 1857530082 QNVRLXOLSIRFBL-OZVIIMIRSA-N 350.850 2.906 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)N[C@@H](C)c4ncc(C)[nH]4)CC3)nc2n1 1857726870 HFUISJFQXQMUGY-ZDUSSCGKSA-N 368.441 2.657 0 50 FFAA O=C(NC[C@H]1CCOC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857738121 RURCHMMARSMAMK-GFCCVEGCSA-N 363.845 2.850 0 50 FFAA CN(C)C1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CCCCC1 513396762 RDLIYVXMINPQMF-MSOLQXFVSA-N 363.546 2.796 0 50 FFAA C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cnc(-c2ccccc2Cl)s1 225723398 VSTXUADOHDDXDO-MGPLVRAMSA-N 352.843 2.733 0 50 FFAA CCc1cnccc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1csc(C)n1 328636484 OAXFFAXFVRDEHV-HOCLYGCPSA-N 362.474 2.751 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)coc2c1C 248075788 YXNPVOYELURRGB-WBVHZDCISA-N 354.450 2.980 0 50 FFAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C1CCOCC1)CC2 19148002 LNQZGMKCPUEALU-UHFFFAOYSA-N 369.465 2.645 0 50 FFAA Cc1noc([C@H]2COCCN2C(=O)Cc2c(Cl)cccc2Cl)n1 155408432 YNVYHGIMKUKJLX-CYBMUJFWSA-N 356.209 2.827 0 50 FFAA NC(=O)c1cccc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)c1 261937904 MNKPYFJMOLTJCX-SFHVURJKSA-N 355.507 2.991 0 50 FFAA COc1ccc(CCN2C(=O)O[C@@](C)(c3cccnc3)[C@@]2(C)O)cc1OC 4709152 FEVQRAGSZFRIIT-VQTJNVASSA-N 372.421 2.717 0 50 FFAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@]12CCCN2Cc1cccc(O)c1 2100480705 RJAIKQZCVIYHEU-DBXWQHBBSA-N 358.482 2.653 0 50 FFAA Cc1cccc2[nH]cc(C(=O)CSc3nncn3[C@H]3CCCNC3)c12 2325787746 URODZHHZPZDXPM-ZDUSSCGKSA-N 355.467 2.967 0 50 FFAA C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)Cc1csc(CN)n1 2325795949 HLKQLGDMGKIILF-SECBINFHSA-N 363.874 2.894 0 50 FFAA C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc2nc(-c3ccccc3)[nH]c12 2325799133 XAVNHBHPKDCPEX-CYBMUJFWSA-N 371.462 2.783 0 50 FFAA CC(=O)N1CC[C@@H](NC[C@H]2C[C@](O)(C(F)(F)F)C2)c2ccccc2C1 2325803345 BFOXVZYWJGOAMQ-XYPHTWIQSA-N 356.388 2.773 0 50 FFAA CC1(C)C[C@@H](C(F)F)CN1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 2325807377 WAOCGHHFFCADLZ-NXEZZACHSA-N 371.350 2.615 0 50 FFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1cccn1-c1c(Cl)cccc1Cl 2325819179 YVCLCYKXIDGEKW-ZWNOBZJWSA-N 364.232 2.887 0 50 FFAA O=C(N[C@@H]1C=CCNC1)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1 2325859241 SARYHXUBRJXLND-QGZVFWFLSA-N 373.460 2.615 0 50 FFAA Cc1ccncc1C(=O)NCC1(NC(=O)c2ccc3cccnc3c2)CC1 2325871227 CLTUJFMGTFCZKH-UHFFFAOYSA-N 360.417 2.631 0 50 FFAA OC[C@H](Nc1nc(C(F)(F)F)ns1)[C@@H](O)c1ccc(Cl)cc1 882648522 CLIQEFOFIAAQKX-IUCAKERBSA-N 353.753 2.717 0 50 FFAA COc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1Cl 824085 LUHGSEJNBHXDTE-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 1124016 OJKNUSIODIGQSB-HNNXBMFYSA-N 353.374 2.740 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CC2CCOCC2)CC1 2356134923 IVXGPNAKGGENMQ-UHFFFAOYSA-N 359.466 2.902 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ccc(C(F)(F)F)cc1F 2356158288 XOEXLJAGPCOHRY-QGZVFWFLSA-N 374.378 2.794 0 50 FFAA CCc1nc(N2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)ncc1C 107006546 SSJXIDKAOCEWDD-IBGZPJMESA-N 354.498 2.729 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 100835051 PUTVOMDECRKGMB-DMAMZFHHSA-N 367.232 2.963 0 50 FFAA CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@@](O)(Cc3ccc(F)cc3)C2)c1 422053513 ISBXJUBQFBQKML-HXUWFJFHSA-N 374.387 2.743 0 50 FFAA CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2nc(C)c(C)s2)C1 860307651 XUQIMZYBWRNBIS-SOUVJXGZSA-N 352.504 2.865 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)N(C)Cc1cnc2ccccn12 55343451 RHLUQSBRHKMPPD-UHFFFAOYSA-N 366.421 2.720 0 50 FFAA CS(=O)(=O)CCNC(=O)c1ccccc1Cc1ccc(Cl)cc1 55413310 MOUKHXWZOGGLMD-UHFFFAOYSA-N 351.855 2.705 0 50 FFAA O=C(Nc1cccc2[nH]cnc12)[C@H]1CCCN1C(=O)Cc1cccs1 118728839 XSJXNBZVBKPFBC-OAHLLOKOSA-N 354.435 2.797 0 50 FFAA CC(C)c1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)nc2ncnn12 67695163 FQSONRRNUVNGCN-UHFFFAOYSA-N 367.457 2.512 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)N1CCCC2(CCNCC2)CC1 67460264 BYLWPOVTVUNFMQ-UHFFFAOYSA-N 352.482 2.932 0 50 FFAA CCn1nc(C)c(NC(=O)CN[C@H](C)c2ccccc2-n2cccn2)c1C 65488867 VMKBXGRVLCDCFZ-CQSZACIVSA-N 366.469 2.995 0 50 FFAA COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(C)=O)c(OC)c1OC 22781268 NEXDYNIRBKKKOQ-WRWLIDTKSA-N 363.454 2.927 0 50 FFAA CN(c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1)S(C)(=O)=O 65363424 IWLCHMOJFYHZIA-GOSISDBHSA-N 358.463 2.890 0 50 FFAA CCCCC1CCC(CNC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 119866597 DWHUKIFODTYEOF-UHFFFAOYSA-N 372.491 2.732 0 50 FFAA CN(C)CCn1ccc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)n1 151375207 LKIYLALQQIAMMH-KRWDZBQOSA-N 356.474 2.553 0 50 FFAA Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1c(C)n(C)n(-c2ccccc2)c1=O 65385358 GXAXUFYJBHJQEG-INIZCTEOSA-N 363.417 2.973 0 50 FFAA COCCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 172231589 JXFXPLRLGWLWBK-KRWDZBQOSA-N 366.483 2.903 0 50 FFAA CCc1noc(C)c1CN1CCC[C@H](N(Cc2cncnc2)C(C)=O)CC1 328642079 QUVYKSXPRNKGLT-SFHVURJKSA-N 371.485 2.739 0 50 FFAA C[C@H](OCC1CC1)C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328626805 FKJPNYZDDQKGMK-RDJZCZTQSA-N 360.502 2.756 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N[C@H]3[C@@H]4c5ccccc5CC[C@H]43)cc12 333105295 DJMHLIDBQJJDOT-DJIMGWMZSA-N 355.419 2.538 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 72473720 XNVWAOYZWVFLFL-UHFFFAOYSA-N 354.429 2.760 0 50 FFAA CC(C)CN(C)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71711982 XYYFKLWBSFWWKW-FQEVSTJZSA-N 372.557 2.872 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1=O 77339300 CPBDYQBBXBELKT-GOSISDBHSA-N 358.825 2.557 0 50 FFAA CC(C)S(=O)(=O)CCNc1cc(-c2ccccc2F)nc2ccnn12 72410376 DPRCRISNZXGCIF-UHFFFAOYSA-N 362.430 2.771 0 50 FFAA Cc1ncnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)c1C 72431803 LZQOJOYNLHXCKV-OAQYLSRUSA-N 365.481 2.898 0 50 FFAA CCc1cc(N2CCC(c3nnc4n3CCCCC4)CC2)n2nccc2n1 77521267 ONKGKIZDOOWGQR-UHFFFAOYSA-N 365.485 2.994 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)nn2c1 216498991 HSXSWKLUMNNYGZ-GFCCVEGCSA-N 360.849 2.732 0 50 FFAA CN1CCO[C@H](C(=O)Nc2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)C1 174041172 WTRWVBHDZPEXKC-KRWDZBQOSA-N 372.375 2.777 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccnn1C 284620771 PGECGRPVQLCCIH-QFBILLFUSA-N 351.454 2.714 0 50 FFAA COCC1(C(=O)N2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)CCC1 72428404 FKXAUTGUNRUWSQ-QGZVFWFLSA-N 372.513 2.908 0 50 FFAA CCCCOCC(=O)N1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CCN2CC1 72122541 WEIBFQSVDCHOIT-STZQEDGTSA-N 372.509 2.901 0 50 FFAA Cc1ccc2c(c1)C[C@@H](C(=O)NCc1csc(-c3ncccn3)n1)N2 223191024 PIIVUUFZFMIHQN-HNNXBMFYSA-N 351.435 2.562 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 91932647 XXOOJRWHKILBQJ-GOSISDBHSA-N 368.481 2.759 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCc1nc3ccc(F)cc3[nH]1)C2 91817812 PTRDDEGPASMFNC-CYBMUJFWSA-N 369.396 2.621 0 50 FFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)[nH]n2)o1 91625579 NMVIAKIHWALBDB-UHFFFAOYSA-N 369.406 2.548 0 50 FFAA COCCn1cnnc1[C@@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 95515232 SEZIIRCAFJPWFT-SNVBAGLBSA-N 355.801 2.908 0 50 FFAA CNC(=O)CCc1cccc(NC(=O)NCc2cccc(OC)c2OC)c1 97117589 NSYQBSGIFWKUBO-UHFFFAOYSA-N 371.437 2.704 0 50 FFAA Cc1cc(CN2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)on1 91779180 LEZCYCHSWDLYSE-UHFFFAOYSA-N 367.457 2.534 0 50 FFAA O=C(CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1)Nc1nccs1 23095820 MYPGENOYEZRINV-UHFFFAOYSA-N 360.527 2.668 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2C(=O)O)c1 92098514 ZGYCIYJZSSJKKF-ZWKOTPCHSA-N 357.381 2.704 0 50 FFAA N[C@H]1CCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 237844922 ABKCUFCFQIHAFE-LBPRGKRZSA-N 362.227 2.810 0 50 FFAA COCCN(Cc1cccc(OC)c1)C(=O)c1c(C)c(C)c(C)[nH]c1=O 97272366 QXERHSTYNRIPJT-UHFFFAOYSA-N 358.438 2.598 0 50 FFAA COc1ccc(-n2nc(-c3ccncc3)nc2[C@@H]2CCCN2C(N)=O)cc1 96133738 KFROOTOLPVWCDC-INIZCTEOSA-N 364.409 2.554 0 50 FFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 253596658 UPTAPIKFKZGAGM-JIKIUCSNSA-N 350.499 2.683 0 50 FFAA CCN(CC)[C@@H](CNC(=O)N1CC(n2nc(C)cc2C)C1)c1ccco1 534583360 GZLJQMOBGGUITO-KRWDZBQOSA-N 359.474 2.742 0 50 FFAA CC(C)(CN1CCCCCC1)NC(=O)N1CCN(c2ccccc2)C(=O)C1 534648717 XIJUQIVBTYDAPC-UHFFFAOYSA-N 372.513 2.699 0 50 FFAA O=C(NCCc1noc(C2CC2)n1)Nc1snnc1-c1ccccc1 299779035 SBLMAYQXPCWQBH-UHFFFAOYSA-N 356.411 2.830 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1c(C)oc3c1C(=O)CCC3)C2 824804706 HLYOHVRVKWVNSC-CYBMUJFWSA-N 355.390 2.849 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCC2(CC1)CN(Cc1ccco1)CCO2 826583663 DXLCCBXASLGWGY-UHFFFAOYSA-N 372.440 2.855 0 50 FFAA COC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)nn1CC(C)(C)O 824156051 URJHGHYGTOWLTQ-JTQLQIEISA-N 352.822 2.786 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)n2)c1 584889769 TVVABDHOUYMIMA-OAHLLOKOSA-N 366.425 2.857 0 50 FFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2ccsc2)c1=O 824396483 PNNKTNMKSXPWKR-AWEZNQCLSA-N 365.451 2.655 0 50 FFAA NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 864928959 TWNWDZWIILOCCY-QDLOVBKTSA-N 356.401 2.805 0 50 FFAA O=C(N1CCC(c2nccc(-c3ccccc3)n2)CC1)[C@@]1(F)CCOC1 952891568 GETSMUHOZHSESM-HXUWFJFHSA-N 355.413 2.978 0 50 FFAA Cc1cc2occ(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)c2cc1C 952887810 FDQLCYHJPHJINR-CXAGYDPISA-N 354.410 2.812 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC(C2CCC2)C1 1875278609 PMHLUYADSGLAFU-LAGYLCCXSA-N 353.466 2.910 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)CC1 1875365776 YFJIKVQMPFDYAG-LPHOPBHVSA-N 356.466 2.708 0 50 FFAA CC(C)(C)OC[C@H]1CCCCN1c1nc(=N)[nH]c(=Nc2ccccc2)[nH]1 1875332244 PFVMNDOWFGIBMV-OAHLLOKOSA-N 356.474 2.624 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3ncc(C(C)C)s3)C2)ccn1 886044946 OVDYLUWIFIESNU-KRWDZBQOSA-N 374.510 2.951 0 50 FFAA COc1ccc([C@@H](NC(=O)c2noc3c2COCC3)C(F)(F)F)cc1F 888092823 IEABWBLJABADIK-CQSZACIVSA-N 374.290 2.928 0 50 FFAA NC(=O)N[C@@H](CC(=O)N1CC2(CCC2)[C@@H]1c1cccnc1)c1cccs1 898409307 KZVBSJSTCIXUGP-YOEHRIQHSA-N 370.478 2.996 0 50 FFAA Cc1ccn(CC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c(=O)c1 170615474 ZMRVHSYCJRTFNR-UHFFFAOYSA-N 365.433 2.903 0 50 FFAA COc1ccc2[nH]c(C(=O)N3C[C@@H](Cc4cc(C)no4)[C@@H](OC)C3)cc2c1 1529173779 PQVODDCTJHCBSR-KUHUBIRLSA-N 369.421 2.803 0 50 FFAA COc1ccc(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)cc1Cl 1529158685 IRRAQNZNGOFGPB-AEFFLSMTSA-N 352.862 2.720 0 50 FFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1c[nH]nc1-c1cccc(F)c1 1704338320 REXHCQFDVXXSOH-QAPCUYQASA-N 366.396 2.598 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cc(C)oc3C)C[C@@H]2C(=O)O)c1OC 219879298 KCIWNPYCKWLHFO-CVEARBPZSA-N 373.405 2.854 0 50 FFAA O=C(NC(=S)NC1CCCC1)c1ccccc1I 678726 YUGBOEIFKYUSKH-UHFFFAOYSA-N 374.247 2.838 0 50 FFAA Cc1nc(N2CCCN(C(=O)c3c(C)noc3C)CC2)nc2c1CCCC2 1772813896 ZZLINCYMVDJKNV-UHFFFAOYSA-N 369.469 2.621 0 50 FFAA CN(C)Cc1nnc(NC[C@H]2CCCN(C(=O)OCc3ccccc3)C2)o1 1772703902 GIXXANNTJQTVMR-MRXNPFEDSA-N 373.457 2.592 0 50 FFAA CC(C)N1C[C@H](CN2CCN(Cc3ccc(F)c(F)c3)CC2)CCC1=O 1775983908 VIROQURJCWOPPF-KRWDZBQOSA-N 365.468 2.729 0 50 FFAA C[C@H](NC(=O)c1cc(CN(C)Cc2ccccc2)on1)c1cnn(C)c1 12836967 AJTHBTWQRVSVRN-AWEZNQCLSA-N 353.426 2.531 0 50 FFAA C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 5092235 BCGZSUJANOSRFW-PILJQMSFSA-N 372.808 2.700 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)NCc1ccccc1Cl 2656335 DSJGHZJPWAVIIB-UHFFFAOYSA-N 359.842 2.724 0 50 FFAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)C1(Cc2cccc(F)c2)CCC1 1857527388 AHVVUAGAJXCVSU-WDSOQIARSA-N 371.456 2.691 0 50 FFAA CCN1CCN(Cc2cc(C)cc(CN3C[C@H]4C[C@H](O)C[C@H]4C3)c2C)CC1 1857690326 GWLRWPNDQUSDGB-JKHIJQBDSA-N 371.569 2.644 0 50 FFAA Cc1cccc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c1F 1857722150 CYBHUYKWAZUVRW-XKGFGPFHSA-N 358.457 2.753 0 50 FFAA CN(Cc1ccccc1)C[C@@H](O)C1CCN(c2ncnc3[nH]ccc23)CC1 1857737359 JCZCWNSVWBIFAC-LJQANCHMSA-N 365.481 2.667 0 50 FFAA Cc1nc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cs1 1875248085 XIFMDEKBHVFDEL-LJQANCHMSA-N 370.478 2.945 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc2c1OCO2 211978088 SFHMTUAFHVVEOD-SJORKVTESA-N 372.465 2.647 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)c3ccc4c(c3)N(C)CCO4)cn2)n1 225471927 QHNQKPJSZIAQGL-UHFFFAOYSA-N 363.421 2.965 0 50 FFAA O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(CCOCc1ccccc1)C2 247966083 ZKPRCELSOVQCEV-PMACEKPBSA-N 365.477 2.835 0 50 FFAA C[C@H]1C(=O)NCCCN1c1ccc(Br)c(C(F)(F)F)n1 376476260 YWCNHMMYDOGFQS-ZETCQYMHSA-N 352.154 2.578 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2COc3ccccc32)CC1 264941170 SZLVTSWRAZQOBQ-IBGZPJMESA-N 364.445 2.892 0 50 FFAA O=C(O)CC1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 846268115 HROOSDNJPNUNMU-AWEZNQCLSA-N 360.223 2.808 0 50 FFAA O=C(NOCC1CCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 856345634 LYXWIOUSYHNFRK-CQSZACIVSA-N 368.380 2.741 0 50 FFAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1 693162 RKDKILJBYDCMPH-UHFFFAOYSA-N 370.319 2.585 0 50 FFAA CC(=O)N1CCC([C@H](C)CNC(=O)c2ccc(-c3ccccn3)o2)CC1 2325849456 PWIPYDGCLFUTLB-CQSZACIVSA-N 355.438 2.966 0 50 FFAA CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 2325866005 XNTFTHPQHLCWJT-LXZKKBNFSA-N 370.515 2.893 0 50 FFAA NC(=O)[C@H](OC(=O)c1ccc2c(c1)CC2)c1cccc(Br)c1 2325870820 QUJZGTOGYGOMOV-OAHLLOKOSA-N 360.207 2.931 0 50 FFAA COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CCOC[C@H]1CF 2325874190 DCCPIMJIZUCQET-GFCCVEGCSA-N 352.793 2.950 0 50 FFAA O=C(NCc1cnc(Br)cn1)[C@@H]1CCNc2ccccc2C1 2325892943 VGMPJGOJOQAATM-GFCCVEGCSA-N 361.243 2.530 0 50 FFAA O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(F)c(F)cc1F 246222041 FLPADMPCNPOALA-DFKRKDTASA-N 361.385 2.730 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1Cl 1159673 WNPXKPYTTOPLGR-CQSZACIVSA-N 354.790 2.548 0 50 FFAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CCc4ccccc4CC3)cn12 2356143090 UWJJABRPSLVNOD-IBGZPJMESA-N 364.449 2.660 0 50 FFAA Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccn1 2865780 HYVDQSBMIOKNJZ-UHFFFAOYSA-N 354.391 2.581 0 50 FFAA O=C(O)CCCOc1ccc(CNC(=O)c2cccc3cn[nH]c23)cc1 225483641 FYVVLVFKROYOMK-UHFFFAOYSA-N 353.378 2.737 0 50 FFAA CCN(CC)CCN1C[C@H]2CC[C@H]1[C@H]1CC[C@H]2N(CCN(CC)CC)C1 101042024 BIUYVJQOTVKZHO-ZDNVTZCJSA-N 364.622 2.845 0 50 FFAA CCN(CCOc1cccc(C)c1)C(=O)c1nc2nc(C)cc(C)n2n1 55090951 DUIGLEMNWBPLGV-UHFFFAOYSA-N 353.426 2.591 0 50 FFAA Cc1c(-n2c(=S)[nH]c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C 100290948 PXLCNHSNRFDHEL-UHFFFAOYSA-N 364.430 2.846 0 50 FFAA Cc1nn(C)c2c1[C@H](c1cccc(OCCCn3ccnc3)c1)CC(=O)N2 65403489 PZPDUWZAINOYPG-KRWDZBQOSA-N 365.437 2.868 0 50 FFAA Cn1nc(C2CCN(C(=O)c3ccsc3)CC2)n(-c2ccccc2)c1=O 67726302 ZNIHEGAMWPLYAY-UHFFFAOYSA-N 368.462 2.652 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@]3(C)C[C@H]4CC[C@H]3O4)C2)c1 249475072 JILLLGLYCMHPBB-WHIZCHOSSA-N 374.481 2.604 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 67833904 BCHOOFLWYIOZKS-INIZCTEOSA-N 367.453 2.757 0 50 FFAA O=C1C[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)CN1c1ccc(Cl)cc1 230137555 ZKRMKARGNUSZPW-IAOVAPTHSA-N 362.857 2.863 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](C(C)(C)O)C2)n[nH]1 67770306 QLGXWZACQXVXPD-CQSZACIVSA-N 373.453 2.620 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@@H]2CCC[C@@H](C)C2)o1 328613681 TULXHJKFUAXPFF-KFWWJZLASA-N 351.447 2.688 0 50 FFAA COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 409414530 LWEWEGHQDGIYGL-LPHOPBHVSA-N 374.529 2.642 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)Nc3nccs3)n2)c(=O)n1C(C)C 35476705 JWHNYBJQDUWLDY-UHFFFAOYSA-N 373.438 2.815 0 50 FFAA CCc1nc2nnc3c(=O)n(-c4cccc(Cl)c4Cl)ccc3n2n1 71375529 IFUQDNNKYYRIPV-UHFFFAOYSA-N 361.192 2.693 0 50 FFAA CN1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3Cl)C2)CC1 215216268 ADXGYVMTXMBPQI-HNNXBMFYSA-N 367.896 2.508 0 50 FFAA Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(=O)n1C 282869959 WBQNNQYSJIDPHO-AWEZNQCLSA-N 371.403 2.958 0 50 FFAA CC(C)(CNC(=O)c1ncoc1-c1ccccc1Cl)N1CCOCC1 152356983 NGTROFAKNZKUQK-UHFFFAOYSA-N 363.845 2.836 0 50 FFAA CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)Nc4nccs4)C3)nn12 32095229 BSGBTYKMPLSTGK-GFCCVEGCSA-N 371.470 2.559 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@H](N4CCOCC4)C3)CCCC2)cc1 72159348 VYFLELOMTAIHFW-IBGZPJMESA-N 372.509 2.830 0 50 FFAA O=C1CC2(CCN([C@H]3CCCNC3)CC2)CN1Cc1ccc(Cl)cc1 77341648 AIJOCWSGKJKALT-SFHVURJKSA-N 361.917 2.907 0 50 FFAA O=C(c1cc(C2CC2)no1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 369122456 QOGKJSXVBOMTJH-ZDUSSCGKSA-N 351.410 2.690 0 50 FFAA Cc1c(O)cccc1C(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12 72154443 YBFSNQBBPAIARK-OAQYLSRUSA-N 350.418 2.851 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc21)c1ccoc1C1(O)CCOCC1 374005590 JDKXZJDCGFFNSI-AWEZNQCLSA-N 357.406 2.574 0 50 FFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC(Oc2ccccc2Cl)CC1 77538754 BYPGYRMEEWDIAT-CYBMUJFWSA-N 369.870 2.658 0 50 FFAA COCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 242273638 YEOYRJTYVVMOPC-GOSISDBHSA-N 374.462 2.625 0 50 FFAA CC(C)c1nc(NC2CCN(Cc3ccccn3)CC2)c2cnn(C)c2n1 72168576 WWQPLBMESQCZOC-UHFFFAOYSA-N 365.485 2.958 0 50 FFAA CN1CCC[C@@H](CNc2ccc(C(F)(F)F)nn2)[C@@H]1c1ccnn1C 284526502 DCLQMMYKGLRSQC-XHDPSFHLSA-N 354.380 2.724 0 50 FFAA Cc1nc(O)cc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 223496893 KDMFDSVEVGPFPG-UHFFFAOYSA-N 365.437 2.706 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)s1 220525689 RSRYANSKLHFTPA-CVEARBPZSA-N 364.442 2.794 0 50 FFAA O=C(N[C@@H](c1nccs1)C1CC1)N1CCN(c2cccc(O)c2)CC1 175914568 HNJPKMLBQPPJOD-MRXNPFEDSA-N 358.467 2.832 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CCC2CC2)CC1 82146033 FUGDOYCHWJWJRB-UHFFFAOYSA-N 359.518 2.790 0 50 FFAA O=C(NCCN1CCCc2ccccc21)N1CCC[C@@H]1Cn1cccn1 426510310 OXFBPACOESVJSQ-GOSISDBHSA-N 353.470 2.510 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)Cc2c(C)noc2C)CC3)c1 48428311 YEBAFYOWFGGDDM-UHFFFAOYSA-N 366.421 2.818 0 50 FFAA Cc1ccc(OC2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)cc1 426500021 AWQLECKETXRGCP-HNNXBMFYSA-N 354.454 2.919 0 50 FFAA O=C(NCC1(c2ccccc2)CCCCC1)N1CCC[C@](O)(CO)CC1 426613588 HDXJEGVMWKNPEJ-OAQYLSRUSA-N 360.498 2.807 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)C1 426376329 LKQZQBHQDNWBEY-OAHLLOKOSA-N 352.434 2.951 0 50 FFAA O=C(CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1)c1ccccc1 91656876 AJFYLSMVPGYTPX-QFIPXVFZSA-N 368.477 2.901 0 50 FFAA O=C(NC[C@@H]1CCOC1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 426421099 IRHMHSWLWUEEHR-INIZCTEOSA-N 366.465 2.900 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C(=O)c3cc[nH]c3C)CC2)CC1=O 95382880 AQXBHOLQANNJDW-UHFFFAOYSA-N 370.453 2.583 0 50 FFAA COc1cccc([C@H]2CNC(=O)c3nc(-c4csc(C)n4)[nH]c3C2)c1 95385586 NAVWUMCGDZSHHD-GFCCVEGCSA-N 354.435 2.920 0 50 FFAA Cc1noc(C)c1CCCNC(=O)c1cnc(-c2cccs2)nc1O 91819854 YOMUQRMNGUIVEC-UHFFFAOYSA-N 358.423 2.878 0 50 FFAA CCOC(=O)CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 92062504 XIBHJYHVQILLTM-LJQANCHMSA-N 370.493 2.810 0 50 FFAA Cc1nc(CCNC(=O)N2CCC[C@H]2c2c(C)noc2C)nc2c1CCC2 426728306 RSLYXHHDLMIABV-KRWDZBQOSA-N 369.469 2.968 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CCC(=O)NC(C)C)C3)cc1 95356123 WAUXZFJROHCAIB-RBUKOAKNSA-N 359.514 2.506 0 50 FFAA COc1ccc([C@@H]2CN(c3nccc(C)n3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95372193 PAWMNWRQWDOPJJ-XUVXKRRUSA-N 350.466 2.860 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C(C)=O)C1 91644931 MGMUATOACUYORS-MRXNPFEDSA-N 355.438 2.752 0 50 FFAA Cc1nc(C2CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)cc(=O)[nH]1 23338243 IDKKHAYQDSNFLJ-UHFFFAOYSA-N 367.428 2.783 0 50 FFAA C[C@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)[C@H]1OCCc2sccc21 294041127 FQRODOBQJGESPI-XAYKYTGQSA-N 374.462 2.743 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)Nc1ccc2occc(=O)c2c1 96139338 RVFPCESBKIZRJJ-ZDUSSCGKSA-N 369.421 2.706 0 50 FFAA Cn1c(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc2ccccc21 91650797 NMNCXNFBXUJECD-UHFFFAOYSA-N 369.509 2.765 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ncccc2C)CC1 96148285 PKEOWHXSPJWQBT-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA Cc1ccc2nc([C@H](C)NC(=O)C3CCN(C(=O)C4CC4)CC3)[nH]c2c1 91586939 GIEGNJMMSCQSQJ-ZDUSSCGKSA-N 354.454 2.697 0 50 FFAA O=C(c1ccc(Cl)cc1F)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91830248 NPNMDTQKSYVOOU-GXTWGEPZSA-N 350.821 2.952 0 50 FFAA CCN1CC2(CCN(Cc3noc(-c4ccc(C)cc4)n3)CC2)CC1=O 95497202 ZVPCUQUJVVWMNG-UHFFFAOYSA-N 354.454 2.879 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc3c(cc1C)OCCO3)C2 91444913 BQXJIYITDVDHKW-AWEZNQCLSA-N 369.417 2.756 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3noc(C4CCCC4)n3)CC2)cc1 241081932 YSUOYKZSANMMAX-UHFFFAOYSA-N 370.453 2.694 0 50 FFAA CCn1ccc2cc(C(=O)N[C@H](C3CCNCC3)[C@H]3C[C@H](O)C3)ccc21 244873098 WJZLFVIRTJPDCH-QWFCFKBJSA-N 355.482 2.530 0 50 FFAA CCN(c1ccc(NC(=O)Cn2cnc3c(c2=O)CCC3)cc1)C(C)C 184089156 RITOJBYFNDWXNE-UHFFFAOYSA-N 354.454 2.605 0 50 FFAA Cc1ccc2c(-c3ccc(C(=O)N(C)C[C@@H](O)CO)cc3)ccnc2c1C 534642913 YZDSIZOGTMDSNB-GOSISDBHSA-N 364.445 2.944 0 50 FFAA Cc1ccc(Cn2nc(C)c(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)c2C)cc1 102612774 RLDZRWVPMWVRFD-BRSBDYLESA-N 365.433 2.523 0 50 FFAA Cc1ccnc(SCC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 299764637 BUBVEUJVLYMPJY-QGZVFWFLSA-N 356.495 2.515 0 50 FFAA O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCO[C@@]2(CCOC2)C1 185381318 YFWVDMDFKXHBRZ-KRWDZBQOSA-N 362.817 2.549 0 50 FFAA Cn1c(=O)c(C(=O)NCc2ccccc2-n2ccnc2)cc2ccccc21 828147260 CWEKVPGPBVWNEG-UHFFFAOYSA-N 358.401 2.654 0 50 FFAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1nnc2n1CCC2 827802371 CXVALBDZBWBXEC-MRXNPFEDSA-N 350.422 2.850 0 50 FFAA Cc1ccc(CCC(=O)NC[C@H]2CCCN(CCn3ccnc3)C2)c(C)c1 827820482 WAQCSEVNAGKQIO-HXUWFJFHSA-N 368.525 2.961 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(-c2ccc(Cl)cc2)nc(CC(N)=O)n1 826841996 HMAIEYIXTXBDCB-UHFFFAOYSA-N 355.829 2.842 0 50 FFAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([C@H]2C[C@@H]2C)o1 1875263669 WGDHQTXBFGSAJI-KWBXDGOASA-N 352.434 2.890 0 50 FFAA C=CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc3nc(C)sc3c2)C12CCC2 1875386056 IAZZRCVNPTWTKA-HOTGVXAUSA-N 355.463 2.948 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cc1 1875396875 VCOYSLZNSZXRSI-OLZOCXBDSA-N 365.437 2.856 0 50 FFAA Cn1ncc(C(=O)NC[C@H](CO)c2cccc(F)c2)c1Cc1ccccc1 1875358537 ZMFXCDHOYGZGBL-QGZVFWFLSA-N 367.424 2.656 0 50 FFAA Nc1ncc(/C=C/C(=O)NC2CCN(Cc3ccccc3Cl)CC2)cn1 952991828 WEZBCFOQCMIMFN-AATRIKPKSA-N 371.872 2.506 0 50 FFAA COc1cccc(OC)c1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565515379 MSKSWBSXLYVIEO-ZBFHGGJFSA-N 372.465 2.567 0 50 FFAA Cn1c([C@H]2CCCN2Cc2noc(C3CCOCC3)n2)nc2c1CCCC2 276056185 TXDOTELTPBSYMD-QGZVFWFLSA-N 371.485 2.913 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1 170604557 UFIIRXIIZCPHEX-JKSUJKDBSA-N 364.490 2.652 0 50 FFAA O=C1C[C@H](c2ccccc2)N(C(=O)[C@@H]2CCOc3ccccc32)CCN1 170842379 XVGVRFGXFQFIPV-QZTJIDSGSA-N 350.418 2.643 0 50 FFAA C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)nc1)C(C)(C)c1ccccc1 170824252 HJCMGKBOICPEGO-CYBMUJFWSA-N 361.467 2.973 0 50 FFAA O=c1ccccn1Cc1noc(-c2ccc(OC[C@H]3CCCO3)cc2)n1 731789427 HVNMAOHYMMNXFV-MRXNPFEDSA-N 353.378 2.504 0 50 FFAA Cn1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c(-c2cccnc2)n1 752359340 SWWGHYAUNIROLS-IBGZPJMESA-N 362.433 2.726 0 50 FFAA Cc1nnc(N2CCC(CNC(=O)C3CCOCC3)CC2)c2ccccc12 1506423213 WUMVRQNIEBAKSW-UHFFFAOYSA-N 368.481 2.697 0 50 FFAA CCCn1nc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C 1506408833 XVDUNHKIRBPDOZ-UHFFFAOYSA-N 364.471 2.558 0 50 FFAA O=C(NCC(=O)N1CCC2(CC1)OCCc1sccc12)c1ccccc1 1704298863 KJEPUWKAQFAUTH-UHFFFAOYSA-N 370.474 2.569 0 50 FFAA Cc1ccccc1N(CC(=O)N(C)C)S(=O)(=O)c1ccc(Cl)cc1 1111072 NNEJPOKCDZOIDT-UHFFFAOYSA-N 366.870 2.932 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1OC)NCC2 3127865 DDOOFRMJKAZGJS-FQEVSTJZSA-N 359.422 2.965 0 50 FFAA Nc1c(C(=O)NCc2ccco2)nnn1-c1cc(Cl)ccc1Cl 11692985 FVZBPWSVIVRXMY-UHFFFAOYSA-N 352.181 2.679 0 50 FFAA O=S(=O)(NC[C@H]1CCCN(C2CCC2)C1)c1cccc2cccnc12 11761853 YEBOVXBQHZOLBL-OAHLLOKOSA-N 359.495 2.778 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 12320842 ZYUOBJKYJLTBGD-OAHLLOKOSA-N 374.462 2.682 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19720698 JBYMAWYUMKRDGK-KPKJPENVSA-N 356.491 2.847 0 50 FFAA Cc1ccc(O)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 2850707 FWVFZTVGXVKMPS-UHFFFAOYSA-N 368.842 2.613 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 4294121 QMQLALPFQLXRBP-HZPDHXFCSA-N 362.838 2.952 0 50 FFAA CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 4978077 GURNEFJFLFPJNJ-UHFFFAOYSA-N 362.451 2.517 0 50 FFAA CC[C@@]1(C(=O)NCc2nc(C)cs2)C[C@@H]2CC[C@H]1N2C(=O)CSC 1857681117 YNFVGJBYDOZCHP-OGHNNQOOSA-N 367.540 2.590 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)C[C@@H]1CCCOC1)CC2 1857695624 RKIDJWQAVUWPOP-INIZCTEOSA-N 353.466 2.831 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)cc2c1C 1857739355 JDIAOANYJOHDQJ-XHYAQGIWSA-N 367.493 2.966 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212119433 DARKJGPFYWNIDX-QAPCUYQASA-N 364.401 2.887 0 50 FFAA O=C(NCC1(c2ccccc2Cl)CCOCC1)c1ccc(C(=O)O)nc1 238011907 DLDMUFBJZWDAFU-UHFFFAOYSA-N 374.824 2.911 0 50 FFAA Cn1cc(-c2cccc(CN[C@H]3CCCO[C@@H]3c3nccn3C)c2)cn1 376999865 XOZZNLFDHFWORL-OALUTQOASA-N 351.454 2.831 0 50 FFAA Cc1coc(-c2cccc(NC(=O)c3nnn(C4CCNCC4)c3C)c2)n1 161573718 JAGMOZGBRVNQFM-UHFFFAOYSA-N 366.425 2.727 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCC2CC(F)(F)C2)(c2ccccc2)CC1 848119929 UJDBQAABQPHVOQ-UHFFFAOYSA-N 362.420 2.894 0 50 FFAA Cc1noc(C)c1CN1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2100482650 ONBWSOWJPAHBQC-TZIWHRDSSA-N 372.465 2.952 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 18127268 QRTHKASXQUHGRO-UHFFFAOYSA-N 354.229 2.572 0 50 FFAA C[C@@H](NC(=O)C[C@@]1(C)CCCO1)c1cc(F)ccc1N1CCN(C)CC1 2325776226 CHWWNUSAVHZQGR-FOIQADDNSA-N 363.477 2.714 0 50 FFAA COc1c(C(=O)N[C@@H]2C[C@@H](CC(=O)O)C2(C)C)cnn1-c1ccccc1 2325812719 BMUKSCLCXIHKFX-SWLSCSKDSA-N 357.410 2.500 0 50 FFAA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2[C@H](C)[C@H](C)[C@H]2C(=O)O)n1 2325815717 IGEZMAPORDGCKC-IDCJVQTKSA-N 355.438 2.708 0 50 FFAA O=C(CN1CCCCC1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 2325843208 YTPGRVHGTOCJJQ-UHFFFAOYSA-N 373.478 2.912 0 50 FFAA C[C@@H](C[C@@H](C)NC(=O)Cc1cc(C2CC2)on1)NC(=O)C1(C2CC2)CC1 2325868193 RUGOBBCWDBEVLU-OLZOCXBDSA-N 359.470 2.684 0 50 FFAA O[C@H](COc1ccc2ccccc2c1)CN1CCN(c2ccccn2)CC1 2674802 RMABZBBSUYITHR-FQEVSTJZSA-N 363.461 2.797 0 50 FFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)cc1 2988854 RCIHQIOSSKZRKT-KRWDZBQOSA-N 359.809 2.813 0 50 FFAA COc1ccc2c(c1)CCOC21CCN([C@@H](C)C(=O)N2CCCC2)CC1 2356158940 FVODWVGFZGMYHO-INIZCTEOSA-N 358.482 2.570 0 50 FFAA CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc2c1CCC2 6698377 UEQIBYUBNYVTHR-UHFFFAOYSA-N 364.467 2.611 0 50 FFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ncccn2)CC1 7525713 BWTDCOIQEJSZJS-INIZCTEOSA-N 368.481 2.890 0 50 FFAA C[C@@H](C(=O)NC[C@@H]1C[C@H]2CC[C@H]1O2)n1c(S)nnc1-c1cccs1 225422121 KPGRAKDSJXMSJB-NNYUYHANSA-N 364.496 2.540 0 50 FFAA COC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)C1 113607303 NQQQZGGTMJQWQX-HNNXBMFYSA-N 362.470 2.803 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1 23785830 LCRNRJZAAOVUAH-KRWDZBQOSA-N 352.500 2.624 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c(=O)[nH]1 55269950 QPMDOQKZFRFNAY-QGZVFWFLSA-N 369.465 2.649 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)c1cnc2sc3c(n2c1=O)CCCC3 10327401 FUWKBLCKSNXOAA-UHFFFAOYSA-N 369.402 2.616 0 50 FFAA CN(C[C@H](O)COc1ccccc1CN1CCOCC1)C1CCCCC1 11946106 CLJGVXSHZRNWCG-FQEVSTJZSA-N 362.514 2.523 0 50 FFAA COc1ccc(COC[C@H](O)CN2CCN(C)C[C@H]2c2ccccc2)cc1 249800201 CASZKMZIJCLQKY-IRLDBZIGSA-N 370.493 2.561 0 50 FFAA CCN(CC)C(=O)N1CCC(c2nc([C@](C)(OC)C3CC3)no2)CC1 350434215 OUVODLSPBIVZKF-GOSISDBHSA-N 350.463 2.982 0 50 FFAA Cc1c(C(=O)NCc2cc(-c3ccccc3)[nH]n2)cnn1-c1ccccn1 67784272 DGDZVQUJGLQUDI-UHFFFAOYSA-N 358.405 2.896 0 50 FFAA C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 252477569 QVNVIEVGZLAFPE-ZACQAIPSSA-N 359.470 2.550 0 50 FFAA Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)CCc2ccc(C)o2)c(C)[nH]1 252539439 NZEWUDNBERPQMZ-FQEVSTJZSA-N 373.497 2.825 0 50 FFAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1cccc(-n2cccn2)c1 252587537 YYPNRTHKQAERHH-LZDZAVHKSA-N 351.406 2.572 0 50 FFAA CCN1C[C@H](COC(=O)c2cncc(-c3ccc(OC)cc3)c2)CC1=O 125884417 XFTUUPCYZUCEAI-CQSZACIVSA-N 354.406 2.782 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 329010762 IAABNDOOKTZJCB-JFIYKMOQSA-N 371.485 2.695 0 50 FFAA CSc1cccc(CC(=O)N2CCCn3nc(CCC(=O)O)cc3C2)c1 72479119 KPAPGUNMTUXNTJ-UHFFFAOYSA-N 373.478 2.597 0 50 FFAA CCOc1ccccc1OC[C@H](O)CCN1C(=O)c2ccccc2C1=O 39400109 UVOYJPOLFWKLSZ-CQSZACIVSA-N 355.390 2.511 0 50 FFAA COC(=O)c1cccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c1 79168370 WXWDIDVQLZKEKI-UHFFFAOYSA-N 368.437 2.654 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 71765529 WWHMGGNWZLJTPR-SFHVURJKSA-N 361.417 2.581 0 50 FFAA C[C@H](OC[C@@H](O)CN1C(=O)[C@H]2CCCCN2C1=O)c1ccc(Cl)cc1 239762460 CLLPDGSOLKDWOF-VBNZEHGJSA-N 366.845 2.595 0 50 FFAA COc1ccc(F)c(CN2CCC[C@](O)(CNCCC(C)(C)C)C2=O)c1 71736389 DSZSMLJRFGMFES-FQEVSTJZSA-N 366.477 2.714 0 50 FFAA CC1CCC(N2C[C@@H](c3nc(-c4n[nH]c(C5CC5)n4)no3)CC2=O)CC1 333239643 PTGNFAPOJFJVGC-YDGIUTOCSA-N 356.430 2.627 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)C3CCNCC3)c12 237103665 CTIXPUQHMHHSHR-UHFFFAOYSA-N 363.465 2.768 0 50 FFAA CC(C)N1C(=O)N[C@@H]2CN(Cc3ccc4c(c3)OCCCCO4)CC[C@@H]21 333513393 FNTTWTJSQFQLNR-SJORKVTESA-N 359.470 2.615 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 77472605 SBEXSCJLLQIFNN-KRWDZBQOSA-N 355.438 2.934 0 50 FFAA O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@@H]1CNCCO1 237896549 IPEMXKTWRBKROI-AWEZNQCLSA-N 366.343 2.771 0 50 FFAA CCCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72428954 RRMAQJWIWFJRLP-OAQYLSRUSA-N 373.497 2.630 0 50 FFAA Cc1cc(C)n2ncc(CN3CCN(CCOc4ccccc4)CC3)c2n1 214970439 NMBWTIMDZIXKSH-UHFFFAOYSA-N 365.481 2.543 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCCOC(C)C)C1 71765369 NGNXSQWFFUDYGF-UHFFFAOYSA-N 369.469 2.670 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)C(=O)c3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72129183 XZFWNEPOGJRBTF-MISYRCLQSA-N 364.445 2.860 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(OC)ccc2OC)CC1 42402583 PQBCOZMHTAZKIT-UHFFFAOYSA-N 363.458 2.816 0 50 FFAA C[C@H](CN(C)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)O 263320529 JMCCNOWWRWSFSE-GFCCVEGCSA-N 364.829 2.869 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)c1cnc(C(C)(C)C)[nH]c1=O 82120630 QFQCXBQNRXJDSL-UHFFFAOYSA-N 350.422 2.888 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C2)no1 426677845 DUVNEMNBYKMCMZ-LLVKDONJSA-N 374.832 2.997 0 50 FFAA CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C3CC3)CC2)cc1 177412384 RQBFHZBJBFZRPL-YSGRDPCXSA-N 370.493 2.733 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)N(Cc1ccccc1Cl)C1CC1 426707156 HDYCBOYTRMEWBK-HNNXBMFYSA-N 365.905 2.718 0 50 FFAA O=C(NCc1noc([C@H]2CCCO2)n1)c1csc(Cc2ccccc2)n1 82120581 IXTLEEKGGIZNOL-CQSZACIVSA-N 370.434 2.898 0 50 FFAA Cc1nc(NCc2csc(-c3cnccn3)n2)cc(C2CC(O)C2)n1 222842494 DLTBRMYKAZMBKW-UHFFFAOYSA-N 354.439 2.549 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCn1c(C)cc(C)nc1=O 426588880 GQWAKYXBZAJRPL-KRWDZBQOSA-N 369.465 2.977 0 50 FFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)CC2 292516190 FFZQXLUHMSXFJK-KBXCAEBGSA-N 364.511 2.873 0 50 FFAA CC(C)Cc1cc(C(=O)NCCc2noc(-c3ccccc3)n2)n(C)n1 91736669 SYWRSEYUDXSDNR-UHFFFAOYSA-N 353.426 2.641 0 50 FFAA Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 91745968 IGISEMCCVKSYND-QGZVFWFLSA-N 370.501 2.736 0 50 FFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCN(c2ccncc2)CC1 91425015 DRHGVPRQVLDCDA-UHFFFAOYSA-N 351.385 2.573 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(C2CCCCCC2)CC1 92038518 YCCAKLFMPBXMED-UHFFFAOYSA-N 357.506 2.840 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 97742740 HBIBNLSPIMUZBI-RTBURBONSA-N 373.497 2.634 0 50 FFAA Cc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1C 91650334 YNPNWAQIISWCMV-IBGZPJMESA-N 360.498 2.786 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccncc1)C2 91270372 HGOMMRXZVMZBNW-AZUAARDMSA-N 363.461 2.777 0 50 FFAA Cn1cc(-c2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)cn1 426530536 RWYWBHKDFVURJQ-HNNXBMFYSA-N 366.465 2.608 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)C3CCN(Cc4ccco4)CC3)C2)n1 95353449 JASHBNADGROQIK-SFHVURJKSA-N 356.470 2.779 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 92078215 ZTMKILUMVDJTDP-GOSISDBHSA-N 365.408 2.597 0 50 FFAA Cc1ccccc1NC(=O)CCN1CCC(C(=O)NCc2ccco2)CC1 244778676 PUPPGIZOQKMGFO-UHFFFAOYSA-N 369.465 2.945 0 50 FFAA O=C(CSc1cnn[nH]1)Nc1c(-c2ccccc2)nc2ccccn12 252511071 ZSYZLIFGZJSPLP-UHFFFAOYSA-N 350.407 2.850 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)no1 441486574 NNXPKOBHNQCKQA-CYBMUJFWSA-N 360.805 2.954 0 50 FFAA CCOC(=O)c1csc(-c2ncc(C(F)(F)F)cc2-n2cncn2)n1 261494936 VICVXXQFAVQTLE-UHFFFAOYSA-N 369.328 2.981 0 50 FFAA Cc1ccc(CN2CCN(C(=O)N[C@H](C)c3cccc(C)n3)CC2=O)cc1 534574452 HHDYKVVBKNDXNQ-QGZVFWFLSA-N 366.465 2.813 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(N2CCOCC2)CC1 628128064 NAUDANFXAFIPBD-QGZVFWFLSA-N 360.498 2.902 0 50 FFAA O=C1C[C@@H](Sc2nc(-c3ccco3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 103000540 NTOFWZUELGTYOL-WZRBSPASSA-N 372.324 2.930 0 50 FFAA COc1c(Cl)cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cc1Cl 299759394 RLLSIMFUKWHBGN-KBPBESRZSA-N 361.269 2.839 0 50 FFAA O=C(NCc1csc(-c2cnccn2)n1)c1cccc(-n2cccn2)c1 65490914 YKJBUWUBTLHSSQ-UHFFFAOYSA-N 362.418 2.716 0 50 FFAA CCSc1ccccc1NC(=O)NC[C@@H]1CCCN(S(C)(=O)=O)C1 299797674 SBOOQOJLFYVXIA-ZDUSSCGKSA-N 371.528 2.592 0 50 FFAA CN(Cc1n[nH]c2c1CCC2)C(=O)Nc1ccccc1N1CCOC1=O 299756916 IQKASMNWYGQAEO-UHFFFAOYSA-N 355.398 2.519 0 50 FFAA COc1cccc(SCC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)c1 824787677 CQABHEDJQRPMLB-SFHVURJKSA-N 374.437 2.626 0 50 FFAA O=C(O)c1cnc(N[C@@H]2COCC[C@H]2OCc2ccccn2)c(Cl)c1 825504437 WACUELMPTDRURO-HUUCEWRRSA-N 363.801 2.614 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 827695983 HCUOPFPJTXHIAO-MRXNPFEDSA-N 354.454 2.521 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)[C@@H](C)C1 1875381271 PERCOCGQMDRPIK-ZDUSSCGKSA-N 373.453 2.732 0 50 FFAA COc1ccc(C(=O)N2CCC(C3CCNCC3)CC2)c(OC)c1OC 1161213932 JZIYBZPEHKTTDR-UHFFFAOYSA-N 362.470 2.564 0 50 FFAA COC1([C@H](NC(=O)c2cc(Oc3ccccc3)ccc2O)C(=O)O)CCC1 1875322927 NYBYFFBSDGBGGO-QGZVFWFLSA-N 371.389 2.937 0 50 FFAA COC(=O)C[C@@H]1CCN(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1 1875277196 DGYMUAONXXRUCI-HNNXBMFYSA-N 356.426 2.906 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(C(F)(F)F)ccn3)n[nH]c21 1875298220 RZZQXMSHMVRCGV-BDAKNGLRSA-N 354.332 2.776 0 50 FFAA COC[C@H](c1ccccn1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1 952990960 YNUBQYWCBKGDKN-MRXNPFEDSA-N 354.859 2.884 0 50 FFAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 880287873 MCSACGJPEZTWAN-DYHNYNMBSA-N 365.433 2.712 0 50 FFAA COc1cc(C)c(C)cc1NC(=O)NC1(c2nc(C)no2)CCOCC1 888100478 RDIOBUQCFQILBW-UHFFFAOYSA-N 360.414 2.831 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(OC)c2c(c1)OCO2 275618307 RMPMEUBMOCOGBN-KBXCAEBGSA-N 359.426 2.508 0 50 FFAA COc1cccc(CN(C)C(=O)c2ccccc2OC[C@H]2CCCO2)n1 189215365 JFYOKZRXPFTHBV-MRXNPFEDSA-N 356.422 2.920 0 50 FFAA O=C(NCc1cc(OCC(F)F)ccn1)c1cnc([C@H]2CCCO2)s1 1325007248 SEOGGTJINVQRPC-GFCCVEGCSA-N 369.393 2.964 0 50 FFAA O[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)C[C@H]1Cc1ccncc1 1529161422 IVRUEEOWHKJHKQ-IAGOWNOFSA-N 352.463 2.636 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)C[C@H]2O)n[nH]1 1704354510 HKHHRAIWQLTFRV-IAQYHMDHSA-N 354.237 2.701 0 50 FFAA CCOCc1cc(CN(CCN(C)C)Cc2[nH]cnc2C)ccc1OC 1704305089 QKGSZJGHVIBNJR-UHFFFAOYSA-N 360.502 2.827 0 50 FFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C[C@@H]21 1704336375 MNWDRFVATFVFRK-HACGYAERSA-N 373.902 2.910 0 50 FFAA COc1cc(Br)c2c3c1O[C@@H]1C[C@H](O)C=C[C@]31CCN(C)C2 149848774 CWBPWEDEZGRSDD-LGFNAOKASA-N 366.255 2.613 0 50 FFAA CCc1cnc(N2CCCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2)nc1 1775980589 DKFVQYVAMAJPIZ-MRXNPFEDSA-N 370.501 2.659 0 50 FFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCc3sc(-c4ccncc4)nc3C1)C2 1775981720 DEXUZCRKSQXRRW-ZXFNITATSA-N 368.506 2.506 0 50 FFAA COc1cccc(OCC(=O)N2CCCN([C@H](C)CC(F)(F)F)CC2)c1 1772806125 ZDLULJUKMLCVSY-CQSZACIVSA-N 374.403 2.949 0 50 FFAA CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H](C)CS2(=O)=O)c1 12003780 WDZIUVROJSMKRX-ZDUSSCGKSA-N 372.446 2.814 0 50 FFAA O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccno2)s1 12340452 JCPNMONQASWSHW-UHFFFAOYSA-N 364.404 2.975 0 50 FFAA COc1cccc(CC[C@@H]2CCCN(C(=O)CN3CCCCC3=O)C2)c1 12373578 ZETPGUHDGXIIJT-SFHVURJKSA-N 358.482 2.879 0 50 FFAA CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1 12746608 OUUGCRWWQCIDHL-MRXNPFEDSA-N 362.495 2.857 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCC(O)CC1 15071394 AOTBVBZUTLRJIU-GOSISDBHSA-N 353.418 2.921 0 50 FFAA O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 19881495 OJTPSWWTNFEMPJ-LBPRGKRZSA-N 362.794 2.857 0 50 FFAA c1ccc2c(c1)OCCNCCOc1ccccc1OCCOCCO2 4566150 URMANSYGANHEJS-UHFFFAOYSA-N 359.422 2.522 0 50 FFAA CCOc1ccc(N([C@@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1 916168 ZYUAJIQHNFKTBX-HNNXBMFYSA-N 368.499 2.642 0 50 FFAA C[C@@H](CCc1ccccc1)NC(=O)C(=O)NC[C@@H]1OCCc2ccccc21 2810510 SSCDKSJSYJVGGE-JXFKEZNVSA-N 366.461 2.554 0 50 FFAA COC(=O)[C@H]1C[C@H]2CN(Cc3ccccc3)CC(=O)N2[C@H]1c1ccccc1 1857729686 HTQDGBPLRVZUKJ-ZJOUEHCJSA-N 364.445 2.634 0 50 FFAA Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCO4)C2)c1 329136974 HIIBQFKYYPIIIZ-INIZCTEOSA-N 361.467 2.542 0 50 FFAA CS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C3CCCC3)C2)s1 333819165 HEPLBXZTFBRPJV-CYBMUJFWSA-N 356.513 2.873 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 245904476 BTQCURYNFHOHTQ-DZGCQCFKSA-N 374.872 2.503 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)cc1 1704327982 VYGCXXGVDXVANZ-NRFANRHFSA-N 350.466 2.971 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1-c1cncnc1 2325735836 IGLLYWOUSUPSCE-FQEVSTJZSA-N 372.428 2.675 0 50 FFAA Cn1ccc([C@@]23CC[C@@H](C2)[C@H]3C(=O)Nc2cncc(Br)c2)n1 2325775907 AUKGOFVAHQSIAU-JMPLFQLZSA-N 361.243 2.884 0 50 FFAA Cc1ccc(-n2[nH]c(=NC(=O)c3ncoc3[C@H]3CCCN3)cc2C)cc1 2325801766 VHAWJQLYUVKOLG-OAHLLOKOSA-N 351.410 2.576 0 50 FFAA Cc1ccc(-c2nc(C3COCCOC3)n(C3CCN(C)CC3)n2)cc1 2325849487 QUDVRDXEOVWWTJ-UHFFFAOYSA-N 356.470 2.651 0 50 FFAA CCOc1ccc([C@@H](NC(=O)c2ncnc3sccc23)C(=O)O)cc1 2325865468 DFVINZBXGJCSDP-CYBMUJFWSA-N 357.391 2.646 0 50 FFAA CC(C)(C)SCCCC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 874889686 PVDOTXPSTJVFKJ-UHFFFAOYSA-N 370.496 2.663 0 50 FFAA COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccccc1F)CC2 1131195 QAEGYJHNVNBPBP-UHFFFAOYSA-N 351.399 2.590 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1 1136173 BACBDFGSOQDJDQ-UHFFFAOYSA-N 365.480 2.816 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2ccccc2O)cc(OC)c1OC 1179952 ZJIDKBTZYLFCRW-UHFFFAOYSA-N 362.407 2.545 0 50 FFAA COC(=O)c1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1 1182962 JELWXTCAKOMUBD-UHFFFAOYSA-N 374.418 2.617 0 50 FFAA O=C(O)c1cc(Cl)c(C(=O)O)c2c(C(=O)O)cc(Cl)c(C(=O)O)c12 4964244 SDWGBHZZXPDKDZ-UHFFFAOYSA-N 373.100 2.939 0 50 FFAA CCCN1CCC(NC(=O)COc2cccc(Br)c2)CC1 8130555 RCWIWJLGMOURTC-UHFFFAOYSA-N 355.276 2.819 0 50 FFAA O=C(c1c(F)ccc(Br)c1F)N1CCN(CC(F)F)CC1 225625255 AUMNKLDKEBLAET-UHFFFAOYSA-N 369.156 2.750 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2noc3c2CCCCC3)CC1 9227031 XODMBUUIFZNAKK-UHFFFAOYSA-N 355.438 2.915 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 134217436 JVTFSQWQWRZULF-QGZVFWFLSA-N 368.437 2.654 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@@H](N)Cc1c[nH]c3ccccc13)C2 67788708 GMCGEGXHOVSEEI-INIZCTEOSA-N 363.465 2.668 0 50 FFAA Cc1cnc(-c2nc3c([nH]2)C[C@H](c2ccc(Cl)cc2)CNC3=O)cn1 65394057 HPIGKZIYABJFPK-LBPRGKRZSA-N 353.813 2.898 0 50 FFAA O[C@@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@H]1c1ccc2c(c1)OCO2 67739827 CETGTURWCYTLAH-NWDGAFQWSA-N 367.327 2.579 0 50 FFAA c1ccc(-c2nc3c(c(NCc4cn5c(n4)SCC5)n2)CCNC3)cc1 67654145 LFZPRXCSWZFBQM-UHFFFAOYSA-N 364.478 2.704 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3c(c2)OCCCO3)C[C@@H](C)O1 229687505 KSABAPWXPQTVHF-SOLBZPMBSA-N 374.481 2.562 0 50 FFAA O=C(NS(=O)(=O)c1csnc1Cl)[C@H]1C[C@]12CCc1ccccc12 861396658 ZMCVNOMCAKTQOV-ABAIWWIYSA-N 368.867 2.506 0 50 FFAA CCCCc1nc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c[nH]1 39430284 KYVUELLBDCAXGB-OAQYLSRUSA-N 370.541 2.864 0 50 FFAA CC(C)(C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1ccc2c(c1)OCCO2 408461823 BIAWUGOLYPUACO-BBWFWOEESA-N 359.466 2.887 0 50 FFAA O[C@H]1CCCN(CCCNc2cc(-c3ccccc3F)nc3ccnn23)C1 72161514 DOGDFOXHHFQGJA-HNNXBMFYSA-N 369.444 2.794 0 50 FFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1cccnc1 72147788 IBKSMUGYJSWSDQ-IRXDYDNUSA-N 360.421 2.697 0 50 FFAA Cc1ccc(CCC(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1 72458941 BSZBHORNPWGKKP-GOSISDBHSA-N 369.513 2.524 0 50 FFAA COc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCC=C(C)C)CC2)cc1 219484526 XYDQPFIGVXCTOU-MOPGFXCFSA-N 359.466 2.983 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1nc2ccccc2n1C 215843730 FLNSUTALILBPKU-INIZCTEOSA-N 366.469 2.586 0 50 FFAA COc1ccc(OCCN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 77426178 YXBQDDJOAKUHNV-NRFANRHFSA-N 358.482 2.941 0 50 FFAA NC(=O)CCN1CCN(Cc2ccc(SC3CCCCC3)o2)CC1 215988255 JXFONAJQWPDGEW-UHFFFAOYSA-N 351.516 2.697 0 50 FFAA CCn1ncc(-n2c(S)nnc2CCn2nc(C)c(Cl)c2C)c1C 8339742 BVYPNAWMHWTUDV-UHFFFAOYSA-N 365.894 2.790 0 50 FFAA CC(C)c1nc([C@H]2CCCN2C(=O)C[C@H](C)NC(=O)C2CCCC2)no1 173450965 HJIVYWVQILPIHX-DZGCQCFKSA-N 362.474 2.942 0 50 FFAA Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C)c4c3CCC4)C2)n(C)n1 333033951 COFSJYAARJIBDO-MRXNPFEDSA-N 352.482 2.924 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@@H]([C@@H]2CCOC2)C1 333047390 GJSJGNUULFPIFW-HUUCEWRRSA-N 358.467 2.773 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)C1 368836938 YKZWPAGAUARQPY-INIZCTEOSA-N 357.458 2.886 0 50 FFAA Cc1csc(CNC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 333211140 UAJQGYLXDUAOQS-IAGOWNOFSA-N 351.516 2.624 0 50 FFAA Cc1cc(N2CCC[C@@H](NC(=O)N3CCc4cccc(C)c4C3)C2)n(C)n1 333743703 RSBIZJHNWRDDIL-GOSISDBHSA-N 367.497 2.774 0 50 FFAA 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LHKTVONUVSOGGD-CQSZACIVSA-N 350.422 2.508 0 50 FFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)n1 49550833 VDRWCOXBRMLSIS-UHFFFAOYSA-N 371.343 2.836 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ncsc2c1 192469670 WYKISAATXSGECB-CQSZACIVSA-N 367.496 2.829 0 50 FFAA CN1CC[C@@H](N(C)CCC(=O)NCCc2ccc(Cl)cc2Cl)C1 426656935 KJAIALYEUBDUOQ-OAHLLOKOSA-N 358.313 2.678 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)c1 91931928 UHIJYSXVBLLOPB-OAHLLOKOSA-N 370.449 2.649 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91746984 XCQCLNGEXRLQCW-RTBURBONSA-N 369.509 2.653 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCCc3nnc(C)s3)c12 426699869 DRWHCBVUUKFYDY-UHFFFAOYSA-N 370.478 2.925 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)cn1 91494387 UYMZFIRSXXLIPZ-SFHVURJKSA-N 362.433 2.668 0 50 FFAA CC[C@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1 95380813 MBIHUWKUKYBIAZ-KRWDZBQOSA-N 367.453 2.802 0 50 FFAA COc1ccc(C2(c3nc(CC(N)=O)nn3C3CCCCC3)CC2)cc1 96180586 PHJWVADEZNCYTL-UHFFFAOYSA-N 354.454 2.900 0 50 FFAA Cc1ncc(C(=O)N(C[C@@H](O)c2ccccc2)C2CCCCC2)c(=O)[nH]1 91390755 ZHEKJPPIHXBUCU-GOSISDBHSA-N 355.438 2.587 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)c1ccc([C@H]2CCCN2)s1 23366977 IVNVPASPLVPXCV-QGZVFWFLSA-N 355.507 2.961 0 50 FFAA O=C(Nc1ccccc1)N1CCC(N2C[C@@]3(CCOC3)CCC2=O)CC1 91745324 VPZRGWFVRCGSLA-FQEVSTJZSA-N 357.454 2.712 0 50 FFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@](C)(C(=O)O)C1 237646115 QEQGPSIJJJPDES-ZUZCIYMTSA-N 356.216 2.540 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95503407 SAVWCVBUKCNSBB-INIZCTEOSA-N 365.437 2.897 0 50 FFAA Cc1nc(NC[C@@H](c2ccccn2)N2CCOCC2)c2sccc2n1 95363132 FJNWKSCKYXVFDB-INIZCTEOSA-N 355.467 2.880 0 50 FFAA CCc1nnc(NC(=O)[C@H](C)N(C)Cc2cc(C(C)(C)C)n[nH]2)s1 244674023 HZYQQJMWRRSMPZ-JTQLQIEISA-N 350.492 2.580 0 50 FFAA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cn(C)cc(Br)c1=O 181854870 FZFUBYJENAAPJR-QMMMGPOBSA-N 368.231 2.885 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCO[C@H](c2cccnc2)C1 296322614 BCYQGKFDJFMJEY-AEFFLSMTSA-N 364.409 2.704 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244712714 KVGMPZYUBNBXNZ-IDHHARJASA-N 356.470 2.739 0 50 FFAA CC(C)(C)c1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)nc(O)n1 253535713 NLQFBPHBNNKNNM-VBQJREDUSA-N 355.438 2.722 0 50 FFAA Cc1ccc(C(=O)NCc2nc3c(s2)CCCC3)cc1N1CCNC1=O 252481551 CNYLJOIDFRHBEZ-UHFFFAOYSA-N 370.478 2.790 0 50 FFAA CN(Cc1nccs1)C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 534633638 NTOXPDMZCNADQO-CQSZACIVSA-N 362.474 2.946 0 50 FFAA CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)cc2OC)n1 38388304 BWDNVLPYCMAUGL-UHFFFAOYSA-N 366.395 2.598 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(Cc2ccc4[nH]ccc4c2)C3)nc1 299782131 XFGVMLGIARQMQK-UHFFFAOYSA-N 359.437 2.782 0 50 FFAA Cc1[nH]nc2c1C[C@@H](C(=O)N1CC[C@@H](c3ncnc4ccccc34)C1)CC2 1875301566 MUUCOEWJSBXTAO-LSDHHAIUSA-N 361.449 2.782 0 50 FFAA O=C(c1cnn(C2CCNCC2)c1)N1CCC[C@@H](c2cccc(O)c2F)C1 1875304132 AUUQKSPFRZTNHU-CQSZACIVSA-N 372.444 2.672 0 50 FFAA CC[C@@H]1OC2(CCN(C(=O)NCc3ccccc3C(C)C)CC2)NC1=O 1875274113 JAMHVVZPOWGNCQ-KRWDZBQOSA-N 359.470 2.737 0 50 FFAA O[C@H](COCc1ccccc1F)CN1CCN(Cc2ccccc2)CC1 19794767 DBHYZRNXCBBLGE-FQEVSTJZSA-N 358.457 2.521 0 50 FFAA CC[C@@H](C(=O)O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 191425187 JTWDIXPJHNAQBI-NSHDSACASA-N 351.756 2.739 0 50 FFAA Cc1noc(C2CCN(CC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)n1 193543001 NAURSVDFUSKTRS-IBGZPJMESA-N 354.454 2.825 0 50 FFAA Cn1c(CN2CCN(C(=O)c3ccccn3)CC2)nc2cc(Cl)ccc21 194156052 QVONRKBSNZAAPW-UHFFFAOYSA-N 369.856 2.580 0 50 FFAA O[C@H]1CCCN(c2ccnc(NCCCn3ccc4ccccc43)n2)C1 1529143998 AKHYSUMAVJWZJV-KRWDZBQOSA-N 351.454 2.895 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(OC)nc2)CC1 1704345179 WTQCIFBAVFZIIF-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA C[C@H](Sc1nnnn1-c1ccccc1Cl)C(=O)Nc1nccs1 11692794 FFPRWBCBNVAFAY-QMMMGPOBSA-N 366.859 2.892 0 50 FFAA COc1ccc(-n2c(CCNC(=O)c3ccoc3)nnc2SC)cc1 12037583 NBWDHUQTLCAHKM-UHFFFAOYSA-N 358.423 2.563 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(OC)c1)C2 14541780 NCYBQYHCRSERRS-INIZCTEOSA-N 370.497 2.651 0 50 FFAA CCCCCc1nnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)s1 14714365 SPDVPWCVGQJMJG-UHFFFAOYSA-N 353.469 2.927 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 3791817 SAKGBZWJAIABSY-SAMSIYEGSA-N 352.471 2.819 0 50 FFAA endogenous,in-man NC(=O)c1ccc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc1 1857670319 HQPNCMJWFKHCLZ-VWPQPMDRSA-N 350.462 2.744 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@@]2(CN(CCC=C(C)C)CC[C@H]2O)C1 1857683868 PASNRIRUVVJCRP-TZIWHRDSSA-N 374.529 2.548 0 50 FFAA Cc1cnn([C@H](C)C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c1 1857700331 TVICPVZXRVJXNB-MRXNPFEDSA-N 363.465 2.780 0 50 FFAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCC(F)(F)CC1 1857715007 XEWOVMPPXAFBIE-NSHDSACASA-N 365.405 2.907 0 50 FFAA Cc1cccc(Cn2nc(CC(N)=O)nc2-c2cccc(-c3ncc[nH]3)c2)c1 1857720620 BXLYSTDFXQGVAF-UHFFFAOYSA-N 372.432 2.720 0 50 FFAA CC(C)[C@@H]1CN2C[C@@H](NC3CCN(Cc4ccccc4)CC3)C[C@H]2CO1 1857736817 XXDJKLMEAQELCK-FKBYEOEOSA-N 357.542 2.738 0 50 FFAA O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@H](n2cncn2)C1 114209766 GCHGCOHBCHVBCJ-QMMMGPOBSA-N 367.283 2.672 0 50 FFAA CC(C)(C)[C@H]1CN(C(=O)c2nc3ncccn3n2)C[C@@H](c2ccccc2)O1 1875246721 KZRPXWIRIKRFBS-JKSUJKDBSA-N 365.437 2.753 0 50 FFAA O=C(CCc1cccnc1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 216961832 ALLBCEJFTQDGMJ-UXHICEINSA-N 350.466 2.532 0 50 FFAA O=C(NCCc1ccc2ccccc2n1)N1CCC(O)(C(F)(F)F)CC1 332014389 KRCKKNSGPYOKEF-UHFFFAOYSA-N 367.371 2.876 0 50 FFAA NCC1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 237800598 FDPIDOAZGAXJLW-HXUWFJFHSA-N 365.477 2.745 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2cc(O)nc3ccc(Br)cc23)C1 133675540 OJIBFYIJUJGKDL-LLVKDONJSA-N 364.243 2.527 0 50 FFAA Cc1nc(C)n(C[C@@H]2CCCN(CCC(=O)N(C)c3ccccc3)C2)n1 135054534 KGBWWQFZJIXDMC-GOSISDBHSA-N 355.486 2.660 0 50 FFAA C[C@@H](Oc1ccccc1Br)C(=O)N1CCC[C@H](C(=O)O)C1 136165339 OWPOGKFKAKTOGA-MNOVXSKESA-N 356.216 2.540 0 50 FFAA Cc1nc(C2(NC(=O)c3cccc4c3O[C@@H](C)C(=O)N4)CCCCC2)no1 264222491 YRXVJPYBOCNQDF-NSHDSACASA-N 370.409 2.687 0 50 FFAA CC(C)Cn1cc(NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cn1 266512797 CISDLRDDQKUDLW-IBGZPJMESA-N 356.470 2.676 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H]1C 12203182 WFJHWSMIRBTMPP-KXBFYZLASA-N 350.418 2.562 0 50 FFAA C[C@H](CF)NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 2325767711 FWIOXBBQDYSFBD-SECBINFHSA-N 356.195 2.906 0 50 FFAA Cn1ncc(C(=O)N[C@H]2CNCCc3ccccc32)c1Cc1ccccc1 2325795493 IOVVMSOXNGCEPZ-FQEVSTJZSA-N 360.461 2.628 0 50 FFAA Cc1c(F)cccc1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325843153 XCEPKZSDNBVVHD-ZDUSSCGKSA-N 358.417 2.625 0 50 FFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1Cl 1057618 QYEIFDTTZOZRFX-UHFFFAOYSA-N 368.842 2.608 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCC[C@@]23CCCN(C)C3=O)cc1 2356144282 PWCXQLCHFWJMLP-HXUWFJFHSA-N 354.454 2.672 0 50 FFAA COC(=O)c1cc(C)sc1NC(=S)N[C@H](C)c1cn(C)nc1C 2853512 UEMFGYZRZLEAHJ-SECBINFHSA-N 352.485 2.933 0 50 FFAA COc1cccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)C2=S)c1 3033698 DENGJDQFIDNMIU-UHFFFAOYSA-N 372.446 2.846 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2Cl)NC(=O)N1 4854830 MJENOMJQTCPQGM-OAHLLOKOSA-N 352.818 2.936 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 10302278 ARQVNQDRTQXKAP-JTQLQIEISA-N 365.282 2.994 0 50 FFAA Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(=O)n(-c2ccccc2)n1C 117559041 CDGYLPJMSJXNTN-YJYMSZOUSA-N 363.417 2.988 0 50 FFAA Cc1ccc2nc(CNc3nc(-c4cccnc4)nc4c3CCNC4)[nH]c2c1 67757527 OVRJPZDZTRNUMG-UHFFFAOYSA-N 371.448 2.981 0 50 FFAA O=C(CCN1CCN(c2nsc3ccccc23)CC1)NCc1ccco1 65526580 FMMCWQJMAGKMAP-UHFFFAOYSA-N 370.478 2.718 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3ccccc3-c3nc[nH]n3)n1)CCNC2 67588014 TUCYVFOGGFQISE-UHFFFAOYSA-N 359.393 2.538 0 50 FFAA Cc1cc(OCC(=O)N2CCN(CCc3ccncc3)CC2)ccc1Cl 20896952 OSVXHISNIFYZNG-UHFFFAOYSA-N 373.884 2.809 0 50 FFAA COC(=O)Nc1ccccc1C(=O)NC[C@@](C)(CO)Cc1ccccc1 252498307 QXYRBVIECAHKDZ-FQEVSTJZSA-N 356.422 2.836 0 50 FFAA O=C(Nc1ccc2ncsc2c1)N1CCC[C@@H](CN2CCOCC2)C1 172560961 BKSPQNGCXOAACN-AWEZNQCLSA-N 360.483 2.872 0 50 FFAA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)c3ccsc3)C2)c(=O)c1 328604452 JYSQPXKRVABFMO-OAHLLOKOSA-N 360.483 2.627 0 50 FFAA COc1ccc(C2=NO[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 4904127 QIHKRAXUPHWAAE-HXUWFJFHSA-N 365.433 2.537 0 50 FFAA CN(Cc1cccc2c1OCO2)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284815228 LFUYPNLDTJFNLT-HNAYVOBHSA-N 356.470 2.664 0 50 FFAA Cc1cnc(C)c(N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)n1 72436566 SMAKPWRQFGLUPJ-QGZVFWFLSA-N 369.517 2.592 0 50 FFAA COc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1N1CCNC1=O 173820008 LICFYDSWNHYBHE-UHFFFAOYSA-N 369.425 2.858 0 50 FFAA Cn1c(CN2CCOCC2)nnc1[C@H]1CCCN(C2CCCCCC2)C1 72480048 JEGFHDPRXUNELL-KRWDZBQOSA-N 361.534 2.550 0 50 FFAA CSc1ccccc1NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCOCC2)C1 72436106 ARJDWJAQRFGLCR-UONOGXRCSA-N 363.483 2.558 0 50 FFAA CCc1nc2c(N3CCC[C@@]4(CCC(=O)N(C5CC5)C4)C3)ncnc2o1 77406191 BDFDXHZOSPIMPV-LJQANCHMSA-N 355.442 2.552 0 50 FFAA Cc1c(F)cccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72440158 AMOIDOZDOZHQGQ-SFHVURJKSA-N 374.456 2.812 0 50 FFAA CCOC1=N[C@]23CCC[C@]12[C@H]1C=C[C@H]3[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 216342999 FZYDUPOOUKIPED-ADKKPJLESA-N 362.429 2.966 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@](O)(CN(C)C)CC2)cc1Cl 72141681 SXTZQTBEXBRVIY-KRWDZBQOSA-N 355.866 2.659 0 50 FFAA Fc1cccc([C@@H]2CN(CC3CCNCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 71748824 GYHABXLCFQZJHD-IOMROCGXSA-N 361.480 2.826 0 50 FFAA COc1ccc(CN2CC[C@H](n3nc(C)cc3C)C2)cc1Cn1cncn1 72128473 IKFXVVPAVWPWJG-IBGZPJMESA-N 366.469 2.595 0 50 FFAA C[C@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)[C@@H]1CCCNC1 262600646 BZUYZTYNZOSMNY-IEBWSBKVSA-N 363.546 2.653 0 50 FFAA O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCCNC2)n1-c1ccccc1 71662571 PUUUVGFDQITTOV-CQSZACIVSA-N 370.403 2.828 0 50 FFAA C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1nc2cccnc2s1 241301036 LPVXNGSRVOTRSF-QWRGUYRKSA-N 362.455 2.819 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)NCc1csc(-c2ccccc2)n1 214992079 ODXVYYOHKRJQSH-HNNXBMFYSA-N 363.508 2.684 0 50 FFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(-c3cccc(CO)c3)nc2)C1 71419526 ZRTVZUJAQHEELF-GOSISDBHSA-N 367.493 2.949 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCNC1 236625437 VMTCVHDPKVLUBO-YOEHRIQHSA-N 365.905 2.600 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC(c2ccnc(N)n2)CC1 219360456 CSVLFABNHFNUQK-UHFFFAOYSA-N 368.466 2.541 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1C 72421645 KUCDCSSAQCUHEQ-UHFFFAOYSA-N 360.889 2.957 0 50 FFAA CCNc1ncc(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cn1 72480886 DBVSBDPOPISZQH-UHFFFAOYSA-N 356.426 2.601 0 50 FFAA Cc1nc2c(c(NCCCc3nc4cc(F)ccc4[nH]3)n1)CCNCC2 72463800 LMTOEFQSENFOFJ-UHFFFAOYSA-N 354.433 2.533 0 50 FFAA COc1ccc(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)c(OC)c1 220014789 WQVHYHOVWAGGDK-UHFFFAOYSA-N 357.454 2.897 0 50 FFAA O=C(Cn1cnc2ccccc21)N(Cc1ccncc1)C[C@@H]1CCCO1 223436510 AYDPFLBSKWBZBY-KRWDZBQOSA-N 350.422 2.639 0 50 FFAA COc1cccc(N2CCN(Cc3cc(OC)c(OC)cc3F)CC2=O)c1 82157532 VELFOIKFJASPEY-UHFFFAOYSA-N 374.412 2.700 0 50 FFAA CSc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 82120023 VOORXDCXNVBUPI-FQEVSTJZSA-N 362.539 2.996 0 50 FFAA Cc1cc2ccccc2n1CCN(C)c1cc(C2CC(O)C2)nc(N)n1 220285304 VBCZXOXLUJELNT-UHFFFAOYSA-N 351.454 2.697 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2)nn1 426411284 KEVWYNIFUMBKIQ-UHFFFAOYSA-N 363.421 2.895 0 50 FFAA CCn1cnnc1CCNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1 426511590 GXDYKTMWDPDZTJ-UHFFFAOYSA-N 366.421 2.652 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3ccccc3-n3cccn3)C2)n1 426658281 HIPONHCZMOWCPE-MRXNPFEDSA-N 365.437 2.533 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2ccc(C(C)=O)s2)cc1 426409540 UQFYZIQKZZXCDQ-UHFFFAOYSA-N 365.476 2.782 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCOc3ccccc32)nn1 179986846 JOJJVUSCJNAWSB-HNNXBMFYSA-N 352.369 2.968 0 50 FFAA CCNc1ncc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)cn1 91426945 FUGLRONNRWLKPY-UHFFFAOYSA-N 368.416 2.780 0 50 FFAA CN(CCO)C[C@@H]1CN(Cc2cccc3c2oc2ccccc23)C[C@@H]1CO 91604770 HROOJUDHCFIGLL-QZTJIDSGSA-N 368.477 2.550 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H](C)Cn2cccn2)C3)cc1 96140582 KOTSCBPHEONPJG-AWEZNQCLSA-N 365.437 2.503 0 50 FFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)C1CCN(C2CCOCC2)CC1 97347075 UVCTUBLETUSEAI-MRXNPFEDSA-N 371.403 2.692 0 50 FFAA COC(=O)c1ccc2ccn(CC(=O)N(C)C3CCCCC3)c(=O)c2c1 95363861 GRWUSJMSHNKPMN-UHFFFAOYSA-N 356.422 2.579 0 50 FFAA O=C(c1cccc(-n2cnnc2)n1)N1CCC(Cc2ccccc2F)CC1 97694924 BXGKUBSNAWMZHD-UHFFFAOYSA-N 365.412 2.896 0 50 FFAA CC(C)C[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ncnn1C 96130322 VOHTZPDXUDFNMQ-HNNXBMFYSA-N 372.429 2.681 0 50 FFAA CCCn1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3OC)C2)c1C 91664569 RCGBRKWSOJRUDN-ZWKOTPCHSA-N 357.454 2.910 0 50 FFAA CC(C)c1nnc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)o1 95357162 HBMDFHPOYMUCQQ-NVXWUHKLSA-N 354.454 2.930 0 50 FFAA CSc1nc(-c2nc(COc3ccccc3)nn2CC(=O)O)cs1 97819696 LMHRODVLXKXMNT-UHFFFAOYSA-N 362.436 2.787 0 50 FFAA O=C(CCN1CCCC[C@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 243956720 CCPISCXIWRCGRI-SFHVURJKSA-N 365.437 2.807 0 50 FFAA COc1ccc([C@H](NC(=O)CCc2cccc(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734341 NDSLXMSASRNDON-VPWXQRGCSA-N 358.413 2.790 0 50 FFAA O=C(CCN1CC(Oc2ccccc2F)C1)Nc1ccsc1C(=O)O 244678633 IHFHIMRWCNYMOU-UHFFFAOYSA-N 364.398 2.677 0 50 FFAA C[C@H]1CCc2nc(NC(=O)CN(C)Cc3nc(C4CC4)no3)sc2C1 252500763 TVCKFRRXPDSVGD-JTQLQIEISA-N 361.471 2.599 0 50 FFAA COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc2nnn(C)c2c1 185154511 OYPGLJGQOSFKRJ-INIZCTEOSA-N 350.422 2.824 0 50 FFAA Fc1cc(C(F)(F)F)ccc1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299794054 IVBNVKGJDFVKOL-LSDHHAIUSA-N 356.323 2.782 0 50 FFAA CCC(=O)N1CCOC2(CCN(C(=O)c3ccc4oc(C)cc4c3)CC2)C1 822534021 RUKKWDJNFNUSKH-UHFFFAOYSA-N 370.449 2.985 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C1 269197383 QHYHKLRVPUWMRF-LBPRGKRZSA-N 359.403 2.733 0 50 FFAA O=C(NCC1(Cc2cccc(Cl)c2)CC1)N1Cc2nc(O)nc(O)c2C1 1875301583 OJDISAAREVGNNL-UHFFFAOYSA-N 374.828 2.589 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC(C3CCC3)C2)(c2ccccc2)CC1 1875365945 VHZBCWHAYPRPAN-UHFFFAOYSA-N 352.478 2.991 0 50 FFAA O=C(O)[C@H]1CC[C@](F)(CNC(=O)[C@H](O)c2ccc(Cl)cc2Cl)C1 1875304166 BWAGMCSLVRKPCN-IBRIGMFSSA-N 364.200 2.736 0 50 FFAA N[C@]1(c2cccc(F)c2)CCN(C(=O)[C@H](O)c2ccc(C3CC3)cc2)C1 1875405932 RUWYHJPRUKEUEM-TZIWHRDSSA-N 354.425 2.823 0 50 FFAA Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n2ncc(C)c2n1 1875405959 SPEAGMUBVNDXEP-WVRYCFJFSA-N 355.486 2.579 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCCN(c2ccccn2)C1 952988216 PZYFABIEXUPEKN-QGZVFWFLSA-N 355.486 2.729 0 50 FFAA COc1ccc2c(c1)OCCN(C(=O)Cc1noc3ccc(F)cc13)C2 886093423 MAFCAPOCFLORJU-UHFFFAOYSA-N 356.353 2.939 0 50 FFAA CCC(CC)N1C[C@H](C(=O)NC(C)(C)c2nc3ccccc3n2C)CC1=O 186799678 AXAOWFPIIQVTGP-CQSZACIVSA-N 370.497 2.962 0 50 FFAA Cc1ccc(CNc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C 170619364 YBVQAZYYLPHOLK-UHFFFAOYSA-N 367.493 2.978 0 50 FFAA O=C(NC[C@H]1CCN(C2CC2)C1)c1cnn(-c2ccccc2)c1C1CC1 171314881 MIDNLLRKVMMKJL-OAHLLOKOSA-N 350.466 2.964 0 50 FFAA CC(C)(C)n1cc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)nn1 191533592 NPSPCLSPDRYREU-UHFFFAOYSA-N 366.425 2.931 0 50 FFAA CCO[C@H]1C[C@](O)(CNC(=O)c2cc(F)cc(Br)c2)C1(C)C 191766502 IPJLNDFFLFPHBM-BBRMVZONSA-N 374.250 2.884 0 50 FFAA O=C1CCCCN1c1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 193885005 XDHHZXNUGCIXIC-UHFFFAOYSA-N 370.434 2.881 0 50 FFAA Cc1cccc(NC(=O)CC(=O)N[C@H](CC(=O)O)c2ccccc2)c1C 1506396064 BDQFRVJPZJLISN-QGZVFWFLSA-N 354.406 2.964 0 50 FFAA Cc1nc(O)cc(CN2CCC(CNC(=O)c3cc(F)ccc3C)CC2)n1 1506422218 POYZCTLWYMTYRE-UHFFFAOYSA-N 372.444 2.580 0 50 FFAA CC1(C)C=Cc2cccc(NC(=O)c3ccc(S(C)(=O)=O)nc3)c2O1 1461892845 QRRVWLJOTDWIMA-UHFFFAOYSA-N 358.419 2.922 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@](C)(O)[C@H](CC(C)C)C3)c2c1 211654264 QVHQMJXJAQLTGU-IERDGZPVSA-N 374.481 2.939 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615738633 UUXUJDOOFUQOTB-KXBFYZLASA-N 365.433 2.769 0 50 FFAA OCCn1cnc2cc(-n3ccnc3-c3ccc(-c4cc[nH]n4)o3)ccc21 1772807308 MCXQAJADUZZEFK-UHFFFAOYSA-N 360.377 2.864 0 50 FFAA O=C(N[C@H]1CCCCNC1=O)c1csc2nc(-c3ccccc3F)cn12 11664709 QNTRIFWMVBIEJR-ZDUSSCGKSA-N 372.425 2.600 0 50 FFAA O=C(C1CC1)N1CCC(N2CCC[C@H](C(=O)N3CCCCCC3)C2)CC1 11816725 AZMXYVVMSBQXMP-SFHVURJKSA-N 361.530 2.502 0 50 FFAA COC(=O)c1ccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 11841387 VIDXDEVICCHIDZ-NRFANRHFSA-N 356.466 2.698 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12324904 VSTSINJZKDQMPN-ZDUSSCGKSA-N 363.339 2.770 0 50 FFAA CCCn1c(C)c(CC(=O)N(C)CC(=O)OC)c2c1CC(C)(C)CC2=O 12432015 JBBVUDMGMFZMAV-UHFFFAOYSA-N 362.470 2.536 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@H]2CC(C(C)C)=NO2)CC3)c1 12445353 AANUQKVUOBVQEZ-GOSISDBHSA-N 368.437 2.771 0 50 FFAA Ic1cccc2[nH]nc(I)c12 14983486 CDWSPWAKOJNCTH-UHFFFAOYSA-N 369.931 2.772 0 50 FFAA CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 16603092 GUOOJMLYAWUPEL-LBPRGKRZSA-N 355.276 2.817 0 50 FFAA O=C(Nc1cccnc1Cl)c1cc(S(=O)(=O)N2CCCC2)cs1 16626713 WQWGMDLXOWQOPC-UHFFFAOYSA-N 371.871 2.833 0 50 FFAA COC(=O)CN(C)c1ccc(-c2nc(CCCc3ccccc3)no2)cn1 19732512 HHWHFPBJDLVCLN-UHFFFAOYSA-N 366.421 2.916 0 50 FFAA COc1ccc(C(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)cn1 1857667858 WXGKIULHJWHQBH-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 1857670651 WPWWPDLEFHOEKJ-HXUWFJFHSA-N 355.438 2.934 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCC1(O)CCCCC1 1857672277 OFZHFHJCFXSISP-OAHLLOKOSA-N 372.469 2.641 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1cc3c(cc1Cl)OCCO3)[C@H]1C=C[C@H]2CC1 333567884 RMKOPKZAEFCPBD-BHWMQLMCSA-N 359.809 2.808 0 50 FFAA Cc1ccc(Cc2nc(C(=O)N[C@@H]3CCCn4ncnc43)cs2)cc1 159149723 JVGHSTQGFFMGGH-CQSZACIVSA-N 353.451 2.899 0 50 FFAA Cc1nc(C(C)(C)NC(=O)c2cc(Br)cc(C(=O)O)c2)no1 262679129 SDVQVMAWIDUXLF-UHFFFAOYSA-N 368.187 2.504 0 50 FFAA O=C(CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1)NC1CC1 1704299026 LWOGKPTXNBWRNY-JOCHJYFZSA-N 362.477 2.702 0 50 FFAA O[C@H](CNC[C@@H](O)c1ccccc1F)c1cc(Cl)c2c(c1)OCCO2 843082208 IZXJSRYJQVYNMW-HZPDHXFCSA-N 367.804 2.607 0 50 FFAA CCn1ncc(C(=O)NC)c1NC(=O)c1csc(-c2ccccc2)n1 2100541268 YLCUVEAKSJVRQN-UHFFFAOYSA-N 355.423 2.638 0 50 FFAA CN(C)CCn1cc(C(=O)Nc2cccc([C@H](O)CC(F)(F)F)c2)cn1 2325766630 KADGHQYIKUAXRQ-OAHLLOKOSA-N 370.375 2.683 0 50 FFAA O=C1COc2cc(OCC(Br)=C3CCOCC3)ccc2N1 2325793438 UWZMVQRURSGTBS-UHFFFAOYSA-N 354.200 2.856 0 50 FFAA N[C@@H](CN=c1ccnc(-c2ccccn2)[nH]1)c1ccccc1Br 2325857816 QJNLAJBSHRXKQC-AWEZNQCLSA-N 370.254 2.835 0 50 FFAA O=C(O)C[C@H](NC(=O)C(F)(F)c1ccncc1)c1ccc(F)cc1F 2325875965 HFKHGDKEYMKWEL-ZDUSSCGKSA-N 356.275 2.784 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccn1 940472 RTUHPUQQFMVILA-KRWDZBQOSA-N 362.393 2.609 0 50 FFAA Cc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c(C)c1 1137172 QTVGSLZTHHCEOH-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1 2570038 TUZVFPRISNDQLQ-SFHVURJKSA-N 353.374 2.721 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C3CCN(C(=O)c4ccncc4)CC3)C[C@H]21 2356135733 QTWPJGXKUORTDF-DSKINZAPSA-N 357.498 2.559 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cn3ccc(C)cc3n2)C1=O 2356150142 NUOIWMCKHBUPNQ-FQEVSTJZSA-N 354.454 2.650 0 50 FFAA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 4158608 JLGQDXYHAHQIKS-CVEARBPZSA-N 362.838 2.952 0 50 FFAA COc1ccc(CCNS(=O)(=O)c2cc(C)ccc2OC)cc1OC 4867492 PZYAXBAGIRBCQH-UHFFFAOYSA-N 365.451 2.542 0 50 FFAA CC(C)CN1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO 20534857 LBGMSIIXUHNQBW-IBGZPJMESA-N 360.477 2.740 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)c3cnn4ncccc34)cc2F)n1 463332749 JKXBLBWEOAMANN-UHFFFAOYSA-N 350.357 2.923 0 50 FFAA Cc1cc(C)n(CCCN(C)Cc2cn(CCC(N)=O)c3ccccc23)n1 55393304 RNIAJBBYBZFTJG-UHFFFAOYSA-N 367.497 2.852 0 50 FFAA CCc1nc(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)cs1 67605535 PGAGPNRHVUBTLI-CQSZACIVSA-N 369.494 2.568 0 50 FFAA COc1cc(N2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)ncn1 65462744 AOCZVCIUGFDVNE-UHFFFAOYSA-N 361.449 2.869 0 50 FFAA O=C(NC1(CO)CCCCCC1)c1cc(COc2cccc(F)c2)[nH]n1 67934388 PBZMSVMJADJFOM-UHFFFAOYSA-N 361.417 2.943 0 50 FFAA CCCC1(NC[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 67713216 MVVQBEQDMQFGCZ-HXUWFJFHSA-N 364.461 2.610 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N3CCC[C@H]3c3ccccc3C)cc2C1 65526065 GCOSZIPQXXDSJX-FQEVSTJZSA-N 366.465 2.921 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)Cc3noc4ccccc34)CC2)nc1 67805872 FSHBTRQUEQBSSZ-UHFFFAOYSA-N 351.406 2.584 0 50 FFAA CNC(=O)CNc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 67934225 CGGBFPKWEUXQJN-QGZVFWFLSA-N 366.465 2.649 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3cccn3C3CC3)CC2)no1 328623974 CFJQSALEKFTSMY-OAHLLOKOSA-N 357.458 2.641 0 50 FFAA CCc1ccccc1N1C[C@H](C(=O)N2CCCC[C@H]2c2ncon2)CC1=O 123374791 ONGHFRNZYRWSRP-WBVHZDCISA-N 368.437 2.739 0 50 FFAA COc1cccc2c1OCC(CN1CCC[C@H](C(=O)c3nccn3C)C1)=C2 77354489 BKKGGJHBEYTOOA-KRWDZBQOSA-N 367.449 2.799 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N1CCO[C@H](Cc2ccccc2)C1 71416178 YMGGHAHRNUVUJV-LJQANCHMSA-N 364.445 2.503 0 50 FFAA COC(=O)c1ccc(N2CCN([C@@H](C)c3cnc(C)cn3)[C@H](C)C2)cc1 253433090 RVCZLRRJMFBKCR-CVEARBPZSA-N 354.454 2.843 0 50 FFAA CN1CC[C@H](NC(=O)[C@H]2COc3ccccc3O2)[C@H]1c1ccc(F)c(F)c1 332771889 QQHJUMOVPNACFK-KFKAGJAMSA-N 374.387 2.666 0 50 FFAA COc1ccc(OC2CCN(C(=O)COC[C@H]3CCCCO3)CC2)cc1 77355395 DMVDSZBLJPBOFU-LJQANCHMSA-N 363.454 2.651 0 50 FFAA Cn1ccc(N2CCC[C@H](NC3CC(c4cc(F)cc(F)c4)C3)C2=O)n1 377644203 GYZIYBWVVSARBE-IMRCBTMISA-N 360.408 2.730 0 50 FFAA CNC[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2OC)C1 237307742 CWEXONKMEHQIFT-OQHXTRMZSA-N 367.287 2.929 0 50 FFAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)CCC(=O)c1ccc(F)cc1F 261697820 SUKZLKNELZKBOR-QTTHWRQISA-N 350.409 2.950 0 50 FFAA CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2nnc(C3CC3)n2C)CC1 369234567 DFUGTEMXYGJNHV-GOSISDBHSA-N 359.518 2.696 0 50 FFAA Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@@H](C(=O)O)C3)c2)cs1 237758782 VAPRWQWJYSLSOV-LLYBFZRZSA-N 372.446 2.977 0 50 FFAA COc1cccc(-c2ccc(C(=O)NCC3(CN4CCOCC4)CC3)o2)c1 215627220 HIGGEBVTMVOGHJ-UHFFFAOYSA-N 370.449 2.797 0 50 FFAA Cc1csc(SCC(=O)NC[C@@H]2CCCN(c3ccccn3)C2)n1 219746165 LYKXRKAQMLGGIM-AWEZNQCLSA-N 362.524 2.971 0 50 FFAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 453017000 YEQPHXIPOSDYAL-DHGKCCLASA-N 355.887 2.893 0 50 FFAA COc1cc(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ncn1 72146775 UVYNMLAFWSBYDM-GFCCVEGCSA-N 366.343 2.717 0 50 FFAA COC[C@@H](C)N(Cc1ccc(SC)cc1)C(=O)c1ccn2nnnc2c1 215607131 SZKXRIWFZXZPBS-CYBMUJFWSA-N 371.466 2.524 0 50 FFAA CC(C)c1nnc(CN2C[C@@H](COc3ccccc3)OC(C)(C)C2)n1C 284468120 FQDIVRNFZOIDSN-KRWDZBQOSA-N 358.486 2.997 0 50 FFAA COc1cc(CN2CC[C@@H](N3CCN(C)CC3)C2)ccc1OCC=C(C)C 216455979 ZUTIJQBMRIXONO-HXUWFJFHSA-N 373.541 2.862 0 50 FFAA O=C(O)C1(n2cccn2)CCN(Cc2c(Cl)cncc2Cl)CC1 72418960 OCIHSLHUMUKWEQ-UHFFFAOYSA-N 355.225 2.661 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)CCCCCN)C2)cc(N2CCCC2)n1 72419090 VMKXZSAXYFJFGT-KRWDZBQOSA-N 359.518 2.610 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3nc4c(s3)COCC4)cc2)CC1 175966861 GFQLVSKNZARTTJ-UHFFFAOYSA-N 372.494 2.610 0 50 FFAA O=C(c1ccnc(-n2cccn2)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 286327403 BEOAELBTIDULLB-HSALFYBXSA-N 374.444 2.912 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@H]1CCN1CCOCC1 82155737 BNPWGGLJGMOVOQ-IBGZPJMESA-N 368.481 2.589 0 50 FFAA CCCN1CCC(NC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CC1 426589990 OLUUGCBLBRXDHP-OAQYLSRUSA-N 373.541 2.886 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)C1 426382844 AINCSNMBRJJLLV-GOSISDBHSA-N 363.421 2.785 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(c2ccc3ccccc3n2)C1 95369676 HPDGKUGLYNRPQL-KRWDZBQOSA-N 373.464 2.992 0 50 FFAA O=C(NCCN1CCCOC1=O)Nc1ccccc1CCc1ccccn1 96141733 CHWXUXUIVOOCCX-UHFFFAOYSA-N 368.437 2.831 0 50 FFAA Cc1c[nH]c(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91724799 VSAJTHSMIHFYSQ-FQEVSTJZSA-N 355.438 2.861 0 50 FFAA O=C(c1ccnc(N2CCN(Cc3cccc(F)c3)CC2)c1)N1CCCC1 95354993 RTMUQVXEDBAHDG-UHFFFAOYSA-N 368.456 2.779 0 50 FFAA O=C(NCCOCc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 95362528 VBSGKSJAZVOZCD-UHFFFAOYSA-N 358.482 2.748 0 50 FFAA O=C1CCCCN1CC(=O)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 97675323 KHKVNZDBXHKIAT-OAHLLOKOSA-N 360.845 2.892 0 50 FFAA O=C(c1ccnc(C[C@H]2CCOc3ccccc3C2)c1)N1CCOCC1 95502632 CPOLWBGHWSNSMF-INIZCTEOSA-N 352.434 2.738 0 50 FFAA Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244716173 LJWBKFZIQAUQBD-KGVIQGDOSA-N 367.445 2.937 0 50 FFAA Cc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 252522853 BHUGTDMADFUSRL-HLLBOEOZSA-N 358.463 2.937 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1[nH]nc(-c3ccccc3)c1C)CC2 299786877 QGMZKIZFBUMBDG-TWOQFEAHSA-N 355.438 2.530 0 50 FFAA COc1cccc(CN2CCN(C(=O)Nc3ccc4[nH]ncc4c3)CC2)c1 299797849 CTGKPPULCVNYDI-UHFFFAOYSA-N 365.437 2.921 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12 299799140 PSRKOXMCCKVAKI-IBGZPJMESA-N 366.461 2.721 0 50 FFAA CCCn1cnnc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299785875 KVJACOKPAJJHNU-KSZLIROESA-N 353.470 2.530 0 50 FFAA CC(C)(C)c1cc(C(=O)NC[C@H](O)C23CC4CC(CC(C4)C2)C3)nc(O)n1 299783644 WTDINYBKYHRRJZ-CQMMPMSNSA-N 373.497 2.787 0 50 FFAA Cc1nnc([C@H]2C[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)s3)C2)o1 1875298170 QCSUBJAYVUDLNP-OCAPTIKFSA-N 367.374 2.683 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1 1875302812 IASRROGWOIABIH-IAQYHMDHSA-N 356.344 2.627 0 50 FFAA Cc1ccc2c(c1)nc(CNC(=O)c1n[nH]c3c1C[C@@H](C)O[C@H]3C)n2C 1875393670 KFEJVIRBGVRXDR-NEPJUHHUSA-N 353.426 2.557 0 50 FFAA CC(C)c1c[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@@H](C)C1 1875344648 OEUURWBNCREZJQ-BPUTZDHNSA-N 358.486 2.690 0 50 FFAA c1ccc(-c2nc(NC[C@@H]3C[C@@]4(CCNC4)CO3)c3ccsc3n2)nc1 1875404448 JCUNSVUGTOXUQN-ORAYPTAESA-N 367.478 2.934 0 50 FFAA O=C(O)c1cccnc1N1CCC2(CC1)CN(Cc1ccsc1)CCO2 952969124 PLVNRCQBOFSELP-UHFFFAOYSA-N 373.478 2.713 0 50 FFAA Cc1cc(Br)ccc1CC(=O)N1CC[S@](=O)CC1(C)C 170610064 PBMFKJXLAWDRAD-FQEVSTJZSA-N 358.301 2.670 0 50 FFAA C[C@@H](Cc1cccs1)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 187340847 QZVVJZWFADZNGE-ZDUSSCGKSA-N 364.492 2.678 0 50 FFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 195530500 HWBUJARBXQITBC-MGPQQGTHSA-N 367.243 2.639 0 50 FFAA O=C1NCCN(Cc2cccc(OCCN3CCCCC3)c2)C12CCCC2 1506423365 WKMMSMYKTDEAEP-UHFFFAOYSA-N 371.525 2.796 0 50 FFAA O=C(NCCC1CCCCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1529168253 YSNPOGVTJUOATF-UXHICEINSA-N 371.481 2.599 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1529161200 BVABAJFCYSERSY-IEBWSBKVSA-N 354.450 2.921 0 50 FFAA CCOc1cc2c(cc1CN1C[C@H](O)[C@H](Cc3cc(C)no3)C1)CCC2 1529171745 APKJJDYWDURQGK-XLIONFOSSA-N 356.466 2.906 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1 1704337340 QRUAJBXVYSGJCL-UHFFFAOYSA-N 365.817 2.526 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(c1cc(C)c3ccc(F)cc3n1)C2 220210117 IPMNDGLEVPLJCL-ZBFHGGJFSA-N 357.429 2.756 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C 11878559 IYAUYRJGEBQLDZ-MRXNPFEDSA-N 355.438 2.936 0 50 FFAA O=C(/C=C/c1ccncc1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 12438774 ZXFMBLDGUGWBAQ-PXPSOEEZSA-N 365.433 2.969 0 50 FFAA O=C(CCC(=O)c1ccccc1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 12592149 OVBQXZJXGLDKAX-SFHVURJKSA-N 368.408 2.706 0 50 FFAA O=C(c1ccco1)N1CCN(C(=O)c2cc(Br)cs2)CC1 16602300 CUBYZHXUYDJSHU-UHFFFAOYSA-N 369.240 2.702 0 50 FFAA CC[C@@]12COC(=O)N1CCN(c1cc(C)nc3cc4c(cc13)OCO4)C2 1857671229 RAKUEWFXTSWIDW-LJQANCHMSA-N 355.394 2.693 0 50 FFAA c1cn(Cc2noc(-c3ccc4c(c3)OCO4)n2)c(-c2cnsc2)n1 1857688027 PVHVCLZIRTVNCW-UHFFFAOYSA-N 353.363 2.834 0 50 FFAA COCC1(NC(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)CCCC1 1857725694 IPVRPNOZOFCMFC-CYBMUJFWSA-N 373.478 2.725 0 50 FFAA Cc1ccc(CCC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)c(C)c1 1857726799 CRINUYYJXZVUHL-JQVVWYNYSA-N 370.493 2.820 0 50 FFAA COc1c(C(=O)O)cc(-c2ccc(N3CCOCC3)cc2)c(OC)c1OC 1875246822 NOKAKCVNRWZBGS-UHFFFAOYSA-N 373.405 2.914 0 50 FFAA Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1 128270964 GGERYTIHUOYEIG-GOSISDBHSA-N 365.481 2.501 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)CCO1 238195385 KOAMHGZBGFOLLU-GOSISDBHSA-N 353.418 2.911 0 50 FFAA CCCOc1nc(C)ccc1C(=O)NCc1ccnc(-n2cccn2)c1 240407412 FMBFGWZAAIRVAF-UHFFFAOYSA-N 351.410 2.690 0 50 FFAA CN(C)C(=O)c1ccc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nn1 676686497 MRRMJDFSVGRNIS-CYBMUJFWSA-N 351.410 2.704 0 50 FFAA CCN(C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1)c1cccc(C)c1 900152542 GGCOETCBXXUZJC-UHFFFAOYSA-N 351.410 2.548 0 50 FFAA CC(C)C1(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)COC1 930197329 GNDKLIJMTATDTP-UHFFFAOYSA-N 353.422 2.623 0 50 FFAA Cc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 2904980 VRJIAHIKCHKYEK-INIZCTEOSA-N 360.479 2.947 0 50 FFAA CCCCCCOc1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)c1 4134347 QSZVELVPZWZJFZ-WMLDXEAASA-N 351.468 2.796 0 50 FFAA NS(=O)(=O)c1ccc(NCC23CCC(CC2)CO3)c(C(F)(F)F)c1 2325764750 UPDLSOCVWGTGJI-UHFFFAOYSA-N 364.389 2.724 0 50 FFAA Cc1ccc(S(N)(=O)=O)c(NCc2cccc(C(C)(F)F)n2)c1F 2325780726 KVSNRRHXPFADDZ-UHFFFAOYSA-N 359.373 2.900 0 50 FFAA CN(C)[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3O[C@@]3(CCOC3)C2)CC1 2325783303 MQEOHNOUFDYYFD-CDXJDZJCSA-N 358.482 2.687 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)cc1 2325889965 JPCKWAKAGXXGFQ-AWEZNQCLSA-N 363.417 2.818 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C 922396620 YRQOIIADEOXTAD-PSWRPDDJSA-N 357.542 2.920 0 50 FFAA CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1 2364025 HCAWVNQWLQLFEZ-UHFFFAOYSA-N 365.437 2.903 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 2873043 BUONBZLQNCKNHN-UHFFFAOYSA-N 364.492 2.857 0 50 FFAA COc1cc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc(OC)c1OC 2994866 UHNKIPDBLYFLBF-KPZWWZAWSA-N 373.405 2.671 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1OC 4894540 UYOJBKFIFVXBNI-HOTGVXAUSA-N 361.438 2.810 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 101276053 CDSWKSKNKCKUKH-ZZCKCESHSA-N 374.868 2.507 0 50 FFAA Cc1ccc(-c2csc(NC(=O)C(=O)NCc3ccccn3)n2)s1 225742444 OBKISLYALIUCGN-UHFFFAOYSA-N 358.448 2.830 0 50 FFAA COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8495982 BJPYFRCSCPJNJD-CQSZACIVSA-N 354.406 2.856 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)CN2CCCC2)c1 55343498 OQNSZPVAQAHVNR-UHFFFAOYSA-N 353.422 2.982 0 50 FFAA Cc1ccc(C)c(O[C@H](C)C(=O)NCCc2nc(-c3cccnc3)no2)c1 55284535 VUXFDASYRPXNLK-OAHLLOKOSA-N 366.421 2.875 0 50 FFAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CC(c1ccccc1)c1ccccc1 65455559 HHWIZJGDRAIFQO-PKOBYXMFSA-N 353.418 2.645 0 50 FFAA CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)C1Cc2ccccc2C1 141250208 KPCCWVMUAATYLP-UHFFFAOYSA-N 363.461 2.850 0 50 FFAA COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 252475174 VGHADYOSDGHEMS-MWDDYTRKSA-N 373.405 2.722 0 50 FFAA O=C([C@H]1CCCN(Cc2ccccc2Cn2cccn2)C1)N1CCCC1 67677009 YXPVNHHCYVRSAP-FQEVSTJZSA-N 352.482 2.766 0 50 FFAA Cc1ccc(CN2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 2140251 CAMQEKZFPBICDB-HXUWFJFHSA-N 359.429 2.772 0 50 FFAA biogenic O=C(NC[C@H]1COc2ccccc2C1)c1ccccc1N1CCOCC1 61134099 SXODXENISLDYIX-INIZCTEOSA-N 352.434 2.504 0 50 FFAA CCc1ncnc(N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)c1F 328632969 LQNLAFVXAIWMDK-RYUDHWBXSA-N 353.442 2.683 0 50 FFAA Cn1cnc(-c2cccc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)c2)n1 126772053 UQTVVJOAYCQWFD-UHFFFAOYSA-N 365.368 2.758 0 50 FFAA CC(C)Oc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)ccc1C(N)=O 433971932 LTBCHOYSCFVMIZ-UHFFFAOYSA-N 368.315 2.634 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N(CCOC)Cc2ccccc2F)c1=O 215745084 AHQXFVRRLONYBF-UHFFFAOYSA-N 360.429 2.913 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@H]2CCCCO2)CC1 215601333 QRVUUKMXZWWGBA-GOSISDBHSA-N 366.889 2.741 0 50 FFAA COc1cccc(N2CCC(N3C[C@@H](NC(C)=O)[C@H](C(C)C)C3)CC2)c1 77505997 BJVWKYXTXZFSSG-LEWJYISDSA-N 359.514 2.757 0 50 FFAA CCn1c(CC2CCNCC2)nn(Cc2cccc3ccccc23)c1=O 71416130 FOUVEMOKRIOYDO-UHFFFAOYSA-N 350.466 2.808 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)c1 72169479 RSWLHENWMIZWHQ-YADHBBJMSA-N 364.489 2.699 0 50 FFAA Cc1noc([C@H]2CCN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)C2)n1 332789289 KELMWMIDPWGHCS-SWLSCSKDSA-N 360.389 2.930 0 50 FFAA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCCN1C(=O)c1ccccc1 156209970 ABNLXPWDHKLYOH-WOJBJXKFSA-N 366.461 2.840 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)Nc3c[nH]nc3-c3nccs3)cc2NC1=O 446120747 FUOMHIXUVLTIGA-MRVPVSSYSA-N 370.394 2.897 0 50 FFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2nnc(C3CCOCC3)s2)CCO1 333307728 DBCYRTHBWBOZJA-OLZOCXBDSA-N 368.503 3.147 0 50 FFAA N[C@H](C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)C1CCOCC1 261745321 KTUDKBFXJKNTJB-FQEVSTJZSA-N 364.449 2.777 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCCc3ccccc3OC(C)C)cnc21 77555060 CWCRRBQVWJRLOJ-UHFFFAOYSA-N 367.453 2.793 0 50 FFAA Cc1ccc(C(=O)NC2CCN(C(=O)c3ccnn3C(C)C)CC2)s1 157148692 BXCWZVSTQTZEPM-UHFFFAOYSA-N 360.483 2.869 0 50 FFAA CC[C@H](O)CNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72164457 YGLVTEGDCZXEKJ-NRFANRHFSA-N 366.505 2.586 0 50 FFAA COc1ccc(C2(C(=O)N(C)C[C@H](C)c3nn[nH]n3)CC3(CCC3)C2)cc1 376010571 CHFGSIZKZOWTIP-AWEZNQCLSA-N 369.469 2.672 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 174242900 IERMDBNAWLCHPN-HOJAQTOUSA-N 369.509 2.670 0 50 FFAA Cc1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c(=O)[nH]c1C 378430272 VMPSQFLDMPZSRD-CQSZACIVSA-N 352.394 2.895 0 50 FFAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cnc2c(c1)nnn2C 287123110 WLERXCSIZABXEM-CXAGYDPISA-N 365.437 2.985 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cnc(N3CCOCC3)nc2)C1 82120512 LTGGRTJXPRUWQW-QGZVFWFLSA-N 366.465 2.641 0 50 FFAA CC[C@](NC(=O)c1ccc2c(c1)CCC(=O)N2C)(C(=O)O)c1ccccc1 263253288 KDOSIJFVXMQLRK-OAQYLSRUSA-N 366.417 2.716 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n1 288981978 CMHNGKRTXXXOKV-AWEZNQCLSA-N 350.369 2.526 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)C1 263408196 UHMCQACKDXSXKL-AEFFLSMTSA-N 353.422 2.872 0 50 FFAA S=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1 20522563 BGEWFNGLONUUNO-UHFFFAOYSA-N 369.490 2.972 0 50 FFAA Cc1ccccc1OCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82137638 GTBULYACRTUKGN-UHFFFAOYSA-N 370.497 2.748 0 50 FFAA CNc1cc(C)nc(-c2cccc(C(=O)NCCc3scnc3C)c2)n1 426411114 AMWYXPVAWSJMBS-UHFFFAOYSA-N 367.478 3.231 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)[C@@H](c1cccnc1)N1CCCC1)nn2C 95376432 WGEISDBNTBZCTC-HXUWFJFHSA-N 363.465 2.730 0 50 FFAA COc1nc2c(cc1C(=O)N1CCc3ccccc3[C@H]1CC(=O)O)CCC2 95512865 FDGCOLAFSSPRCX-GOSISDBHSA-N 366.417 2.793 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239165267 NUKBSJPEHDPMKX-PNZLXGSGSA-N 370.836 2.640 0 50 FFAA Cc1cc(Cl)ccc1OCCN1CCN(C(=O)c2[nH]cnc2C)CC1 97732566 CDCOJENFIMYRQM-UHFFFAOYSA-N 362.861 2.517 0 50 FFAA COc1cc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 95356196 QQRWBBKEVPJNGD-PWIZWCRZSA-N 354.429 2.691 0 50 FFAA CC(C)CCn1nccc1NC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 96163941 UKFTYAHQURTDKV-UHFFFAOYSA-N 368.441 2.830 0 50 FFAA CC(C)c1cc(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)on1 96133214 LUAOWQOJRODOBA-YWZLYKJASA-N 361.486 2.949 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c2n1 97570907 URAJHUHKWJMHRS-OAHLLOKOSA-N 354.458 2.696 0 50 FFAA Cc1cccn2cc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)nc12 97772854 LMEJPNVQQNRMDB-LJQANCHMSA-N 363.465 2.995 0 50 FFAA CCCC(=O)Nc1cccc(NC(=O)N2CCC3(CC2)C[C@H](O)CO3)c1 95519934 LFXGESSWHFLIDH-INIZCTEOSA-N 361.442 2.573 0 50 FFAA CCc1n[nH]c(-c2cccc(NC(=O)NC(C)(C)c3nnc(N)s3)c2)n1 96153025 DNGFDFYHJKSZPR-UHFFFAOYSA-N 372.458 2.525 0 50 FFAA CN(C)CCCN1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 97578557 JQBOHUFWLIJHAB-UHFFFAOYSA-N 367.493 2.769 0 50 FFAA CN(C)C1(CNC(=O)CO[C@@H](c2ccccc2)C(F)(F)F)CCOCC1 244794741 QSQIHVYILQXCCG-INIZCTEOSA-N 374.403 2.534 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 247408146 OXMOWTFCOMYZRL-WRFANHODSA-N 355.369 2.532 0 50 FFAA Cc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c(Cl)c1 257176959 VGJWDZKAZQOMOL-HNNXBMFYSA-N 357.797 2.728 0 50 FFAA Cc1cccnc1CNS(=O)(=O)c1cc(C)c(Cl)c(C(=O)O)c1 184976116 IRENFZISINKXRF-UHFFFAOYSA-N 354.815 2.529 0 50 FFAA O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1cccc(C(=O)O)c1 299744965 QHOUFIFPINEDFV-OAHLLOKOSA-N 356.403 2.504 0 50 FFAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCN1CCOCC1 253408169 KLVUEXAGSFOBGT-GOSISDBHSA-N 361.873 2.569 0 50 FFAA CCN(C)C1(CNC(=O)N[C@@H](CO)c2ccc(F)cc2)CCCCC1 534668574 PQKLZJPDWYPUFD-KRWDZBQOSA-N 351.466 2.813 0 50 FFAA COc1nc(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)n[nH]1 534640079 DEJYHDHVUBEUBW-QGZVFWFLSA-N 366.421 2.676 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCCN(c2ccccn2)C1 827736350 CSKRMHFDFCNYFP-SFHVURJKSA-N 361.449 2.800 0 50 FFAA COc1cc(OC)cc(-c2cc(-c3cccc(F)c3)nc(CC(N)=O)n2)c1 824571977 HBSZWXZDZYCWNL-UHFFFAOYSA-N 367.380 2.995 0 50 FFAA Cc1cnc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)c(C)c1 1875258383 LIXRVZWXTLPQMY-UHFFFAOYSA-N 365.437 2.659 0 50 FFAA C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N=c2cc(-c3ccc(F)cc3)n(C)[nH]2)C1 1875297806 DMPYLZFTCUUJEB-XHDPSFHLSA-N 353.401 2.676 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2nc3c(s2)C[C@@H](C)CC3)C1 1875379362 RGRUYMCXVWRNKZ-MJBXVCDLSA-N 361.511 2.870 0 50 FFAA CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)c2ncc(-c3ccc(F)cc3)o2)C1 1875300834 RYUVDAUOMVVELC-HXPMCKFVSA-N 374.416 2.709 0 50 FFAA O=C(O)[C@@H]1Cc2cc(F)ccc2N(Cc2ncnn2-c2ccccc2)C1 1875349996 WMCJMMPJEGTEIM-CQSZACIVSA-N 352.369 2.670 0 50 FFAA COc1ccnc(N2CC[C@@H](CNC(=O)C(C)(C)c3ccccc3C)C2)n1 1875312693 QARJINOUXDUXFF-INIZCTEOSA-N 368.481 2.714 0 50 FFAA CC(C)n1cnc(C(=O)N2CCC[C@@]3(NC(=O)[C@@H]4C[C@H]4C)CCC[C@@H]23)c1 1875407144 UATKZXIUYGYMOE-YVTWGWGSSA-N 358.486 2.764 0 50 FFAA Cc1ccc(NC(=O)CSc2ccncc2)cc1NC(=O)CN(C)C 952873938 RYYALUVBKWZCCZ-UHFFFAOYSA-N 358.467 2.621 0 50 FFAA O=C(CCN1CCCCCC1=O)Nc1ccccc1OC[C@H]1CCCO1 952984133 IDRCMXONXHFFPV-MRXNPFEDSA-N 360.454 2.976 0 50 FFAA CC(C)Cc1cc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)no1 952864336 YKTHEZZJMSXLTR-LLVKDONJSA-N 356.382 2.570 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cnc(O)c3ccccc23)CC1 1473292248 UYQLRIIDIPOUDI-SFHVURJKSA-N 352.438 2.620 0 50 FFAA COCc1nc([C@@H]2CCCCN2C(=O)COc2ccc(C)cc2C)n[nH]1 408473346 RYVMPGIWTHFEJB-HNNXBMFYSA-N 358.442 2.701 0 50 FFAA CC(C)(C(=O)O)c1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)cc1 736228537 STAHFQPIGDHHQH-UHFFFAOYSA-N 350.378 2.882 0 50 FFAA O=C(CSc1ccc(F)c(F)c1)N[C@H](Cc1ccccc1)C(=O)O 170100023 VHMQBFOZFXRCPK-OAHLLOKOSA-N 351.374 2.869 0 50 FFAA CCn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2ccccc21 170646817 JQWTVTIKSORLMX-UHFFFAOYSA-N 351.406 2.852 0 50 FFAA O=C(c1ccccc1)c1nc[nH]c1C(=O)N[C@@H](CCCO)c1ccccc1 170600725 OFGBORBCGFSHAK-KRWDZBQOSA-N 363.417 2.884 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1 279220903 FOXYILWJIASACP-IEBWSBKVSA-N 368.481 2.917 0 50 FFAA CCc1nc(C2CCN([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n[nH]1 190671607 XWAUDMNPBOPXAF-AWEZNQCLSA-N 373.476 2.733 0 50 FFAA Cc1ccc(CS(=O)(=O)NCc2ccccc2-n2ccnc2)c(F)c1 192017512 DXTZQPLXECHYQO-UHFFFAOYSA-N 359.426 2.939 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1CCN(Cc2ccccc2)CC1 194381970 AKJNKZSKYQUGMW-MRXNPFEDSA-N 359.514 2.566 0 50 FFAA CN(CCN1CCOCC1)C(=O)[C@](C)(Nc1ccccc1)c1ccccc1 1506399238 KZZJGZHNSFBJJV-JOCHJYFZSA-N 367.493 2.805 0 50 FFAA Cc1cccc(SC2CCN(C(=O)Cc3cc(O)nnc3O)CC2)c1 1506410329 KGBULPTXUAQBSL-UHFFFAOYSA-N 359.451 2.522 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCn2nnnc21 1506410324 KCZVLRBUAIOFKB-OAHLLOKOSA-N 363.849 2.522 0 50 FFAA COc1cc(-c2onc(NC[C@@H](CO)C(C)C)c2C(=O)O)ccc1F 1704324650 BVVFZTGRFVSDHX-NSHDSACASA-N 352.362 2.864 0 50 FFAA COc1cccc(C)c1C(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 1704358287 IFPNPWUIZUPUBZ-FGTMMUONSA-N 368.477 2.890 0 50 FFAA CCOCCNC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704307932 NMFRDRMVETVBNR-UHFFFAOYSA-N 359.426 2.717 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCCO4)CC[C@@H]21 216984898 WSPHXACICJQNIZ-MSOLQXFVSA-N 356.466 2.875 0 50 FFAA COc1ccc(Cc2ncc3c(n2)CN(c2ncnc4cc[nH]c24)C3)cc1 1772812658 NMHUDYPABXJSJU-UHFFFAOYSA-N 358.405 2.868 0 50 FFAA Cc1ccccc1CCN1CCC(CN(C[C@@H](O)CO)C2CCCC2)CC1 12372786 WHVZUNNICMEZHF-HSZRJFAPSA-N 374.569 2.847 0 50 FFAA C[C@H](CCCC(C)(C)O)NCc1c(C(=O)N2CCCC2)nc2ccccn12 12433665 BMWTYGUOEMYXRZ-MRXNPFEDSA-N 372.513 2.990 0 50 FFAA CCc1noc(C)c1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 12760885 WEIOZELIFAPBKR-FQEVSTJZSA-N 359.470 2.800 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(c1ncc(C(F)(F)F)cc1Cl)C2 1857669518 HDWDOFQHUIREMZ-ISVAXAHUSA-N 350.724 2.681 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCC([C@H](O)CN2CCCCC2)CC1 1857718199 CLWKKHDEGWPXNM-GOSISDBHSA-N 373.522 2.995 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 109621834 JUBPLWMIPAMFQV-CYBMUJFWSA-N 351.830 2.711 0 50 FFAA CCC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O 225484609 IJWNUFTYMLJFEL-ROUUACIJSA-N 368.433 2.917 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 331954805 PPBPKFPLNHJZQP-HOTGVXAUSA-N 365.426 2.639 0 50 FFAA NCc1ccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)o1 237957122 LPYNECLAGCFSCW-HNNXBMFYSA-N 365.227 2.715 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)cn1 248000204 NUBZUCDNMDAGFX-APWZRJJASA-N 366.465 2.841 0 50 FFAA Cn1nc(C2CC2)nc1Cn1ccc2ccn(Cc3ccccc3)c2c1=O 842647990 KHJPHEFQXRCIFY-UHFFFAOYSA-N 359.433 2.906 0 50 FFAA COc1cccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c1OC 6668645 IYZJWAYBWHOUSE-UHFFFAOYSA-N 350.396 2.523 0 50 FFAA COC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1 11690255 WSNQXKMNYQGLMK-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA CN1C[C@]23CCC[C@@]2(C1)CN(c1ccc2nnc(-c4ccccc4)n2n1)C3 2325775668 ZEAOXGCHMDRDMY-OYRHEFFESA-N 360.465 2.713 0 50 FFAA O=C(O)Cc1cccc2c1CN(C(=O)c1ccn(C3CCCC3)n1)CC2 2325784404 APWYAJCPOVEMAQ-UHFFFAOYSA-N 353.422 2.824 0 50 FFAA O=C(c1c(C(F)F)nc2cnccn12)N1CCC[C@@H](COC(F)F)C1 2325790301 CNBAYGSFXRLRAY-SECBINFHSA-N 360.311 2.758 0 50 FFAA CC(C)n1cnc(C(=O)N(C)C2CC(NC(=O)[C@@H]3CCCC34CC4)C2)c1 2325794576 IPFNARBIROTFSO-GPANFISMSA-N 358.486 2.764 0 50 FFAA C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2csc(CN)n2)c1 2325800474 JZZBJZFYPVRAPK-SNVBAGLBSA-N 374.495 2.836 0 50 FFAA C[C@@H](NC(=O)c1cnc(N2CCNCC2)o1)c1cccc(C(F)(F)F)c1 2325801075 VCPQCAITOKRDPA-LLVKDONJSA-N 368.359 2.594 0 50 FFAA O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc([C@H]2CCCN2)[nH]n1 2325801295 AULQQORFOJJGTJ-RISCZKNCSA-N 354.332 2.682 0 50 FFAA CC(C)C[C@@H](CNC(=O)c1c(Br)noc1C1CC1)C(=O)O 2325813045 FZKBNWIIRDEVMR-VIFPVBQESA-N 359.220 2.791 0 50 FFAA COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(OC)cc1Cl 239125144 JZSBZZLZXMBWTG-WDQYXFPCSA-N 351.786 2.819 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccncc1 814798 XGRGWHCEZDXUJA-KRWDZBQOSA-N 362.393 2.609 0 50 FFAA CCOc1cccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1 972703 FTHKLWJNIPMXOR-UHFFFAOYSA-N 357.362 2.911 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356154442 VWCHZQNCBKTFAC-GHDARCQNSA-N 364.445 2.669 0 50 FFAA Nc1cncc(-c2ccc(C(=O)N3CCC4(CCOCC4)CC3)cc2)n1 2356165873 IYXABFYIXJDSIZ-UHFFFAOYSA-N 352.438 2.759 0 50 FFAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1 6714063 FKXWLOUOKWPPDW-UHFFFAOYSA-N 356.369 2.615 0 50 FFAA CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 6703468 RJCIWZLBAADWDV-MRXNPFEDSA-N 370.902 2.752 0 50 FFAA CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)[C@H]1c1cccnc1 6709345 RXCJIYACOOVUQP-KRWDZBQOSA-N 368.389 2.549 0 50 FFAA in-vitro CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1 55108402 PRWJLIVCNQEIHV-ZWOKBUDYSA-N 361.486 2.511 0 50 FFAA CCC1=NO[C@H](C(=O)N2CCC(Cc3nncn3-c3ccccc3)CC2)C1 55118734 YHFHUEJWZYJSTJ-SFHVURJKSA-N 367.453 2.603 0 50 FFAA COc1ccccc1N1C(=O)C[C@@H](SCC(=O)Nc2ccccc2)C1=O 101040877 SRHSJGANHRNGIC-MRXNPFEDSA-N 370.430 2.699 0 50 FFAA CC(C)Cc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 109656023 JJVZGYYFOHOYGK-UHFFFAOYSA-N 354.498 2.967 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1)c1cccs1 23340357 ZYTIXROYPLTAIW-ORAYPTAESA-N 357.479 2.905 0 50 FFAA Cc1ncoc1C(=O)NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 20515436 GIJKWPVZVSBJGD-OAHLLOKOSA-N 353.353 2.918 0 50 FFAA CC(C)[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nccn1C 67642596 PACZECMDPHDOAA-KRWDZBQOSA-N 353.426 2.849 0 50 FFAA COCCN1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C[C@H]1C 230158992 CKMVCDHJYHDTJQ-XLIONFOSSA-N 360.498 2.866 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H](c1ccnn1C)C(C)C 252490959 LGHAWRMJYHCUCW-ZDUSSCGKSA-N 373.423 2.933 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)n(C)n1 65372634 LKWGTRZHNDZHTG-GOSISDBHSA-N 351.454 2.986 0 50 FFAA CCn1cc(C(=O)NC(=S)Nc2ccccc2Br)cn1 649990 NOMMKVDVOTVMKH-UHFFFAOYSA-N 353.245 2.792 0 50 FFAA N=C(O)N1CCC[C@H]1C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 328657174 OMPHKFKDNHQNSF-JSGCOSHPSA-N 351.834 2.667 0 50 FFAA CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1ccc(OC)cc1)C2 31829559 BFXKUXZKUIBEKZ-UHFFFAOYSA-N 374.462 2.757 0 50 FFAA Cc1nc2c(c(NCc3cccc(CN4CCCC4)c3)n1)CCNCC2 72478074 KPEQGQCSYZEXFW-UHFFFAOYSA-N 351.498 2.681 0 50 FFAA Cc1ccc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)ccc2n1 477392711 MHROEZKQSULNGX-UHFFFAOYSA-N 362.433 2.705 0 50 FFAA O=C(NCc1ccco1)c1cc(N2CCN[C@@H](c3ccccc3)C2)ccn1 71759032 WVSFHFNSSMORIH-HXUWFJFHSA-N 362.433 2.756 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@H]2CCC3(CCCCC3)O2)sc1C(=O)O 330072541 ZDLDKEKYGWDBFW-GFCCVEGCSA-N 373.496 2.915 0 50 FFAA Cc1cc(-c2nn(C)c(Cl)c2CN2CCC(c3ncon3)CC2)no1 215420175 ZTTOSSQQOGGGFI-UHFFFAOYSA-N 362.821 2.800 0 50 FFAA COc1ccc(C2(C(=O)NCCCn3nc(C)nc3C)CCCC2)cc1 219508471 HTBDFSLWLNMWRH-UHFFFAOYSA-N 356.470 2.922 0 50 FFAA COCc1nocc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 485765261 DTNCXWOPDPLNCN-IBGZPJMESA-N 357.454 2.634 0 50 FFAA Cc1cc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)on1 72420227 BCSNOHOAUIGAII-UHFFFAOYSA-N 371.437 2.849 0 50 FFAA CCc1cc(NC[C@H](c2ccc(C)o2)N2CCOCC2)n2nccc2n1 72409019 WWDAIHJJFYFAKH-MRXNPFEDSA-N 355.442 2.679 0 50 FFAA COc1ccc(OC)c(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1 35463088 FKILFFRBFROCGO-UHFFFAOYSA-N 370.405 2.800 0 50 FFAA COCCn1cncc1CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 72170237 VMDIUDQOWVQZTO-OAHLLOKOSA-N 350.413 2.884 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 72146242 RGWLADSMGNCXMD-FQEVSTJZSA-N 370.474 2.576 0 50 FFAA Cc1cccc(N2CCN(C(=O)Nc3ccc(C4CC4)nn3)CC2)c1C 333375783 AOQJMNQMAFVFFS-UHFFFAOYSA-N 351.454 3.325 0 50 FFAA Cc1ncccc1Oc1ncnc(N(C)CC2(CO)CCOCC2)c1C 77426302 CJDZILRMGDTDBU-UHFFFAOYSA-N 358.442 2.506 0 50 FFAA CC(C)c1nc(CNc2ncnc3c2CCN(C(=O)C2CC2)C3)cs1 71760931 YIZDLUYHZCCXQQ-UHFFFAOYSA-N 357.483 2.963 0 50 FFAA COc1ccc(C(=O)N2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)c(F)c1F 72475429 ITBXETSSJDYTJF-BETUJISGSA-N 368.424 2.687 0 50 FFAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCN([C@H]2CCNC2)CC1 214966913 ZHNCXIYCLWTULS-FQEVSTJZSA-N 353.441 2.612 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)C1CCS(=O)(=O)CC1 72478562 DOTMHGHOOHDWKW-UHFFFAOYSA-N 370.521 2.655 0 50 FFAA COc1cccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c1C 72121594 BDUZYSBMRSBITM-UXHICEINSA-N 366.461 2.552 0 50 FFAA CSc1cccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1 82146626 NGZUYGCUCOSFJT-UHFFFAOYSA-N 373.526 2.782 0 50 FFAA CC(C)c1nccn1CCCNC(=O)N1CCC[C@@H](c2ccncn2)C1 426640327 BWVUPQUHCHLEJQ-MRXNPFEDSA-N 356.474 2.776 0 50 FFAA COc1ccccc1OC1CCN(C(=O)CCn2c(C)cccc2=O)CC1 82087911 QDWLXQOEYPXTMC-UHFFFAOYSA-N 370.449 2.625 0 50 FFAA CC[C@@H](COC)NC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 426477403 NXHGTERWSDOXAT-INIZCTEOSA-N 373.419 2.958 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)CSc3cn(C)c4ccccc34)C2)OC1=O 426517725 ZRRMNOQEAWKZLG-LJQANCHMSA-N 373.478 2.714 0 50 FFAA C[C@@H](C(=O)NCc1ccc(Cn2cccn2)cc1)N1CCc2ccccc21 195032225 BFJVQFBYWHYMCT-KRWDZBQOSA-N 360.461 2.999 0 50 FFAA Cc1nc2ccc(-n3nc(C(C)C)nc3CCc3n[nH]c(N)n3)cc2s1 96164578 VXAFFKHCUJGMGT-UHFFFAOYSA-N 368.470 2.794 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)NCCOc1ccc(F)cc1 97475468 RLSXBCJVTYQPPX-UHFFFAOYSA-N 352.369 2.795 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)c(C)c1 91587348 XUBUUFJZKVKJMW-UHFFFAOYSA-N 372.509 2.839 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1)N1CCc2[nH]nc(C3CCC3)c2C1 23144584 UCLYZQOHBAMVKX-UHFFFAOYSA-N 360.421 2.728 0 50 FFAA CN(Cc1noc(C2CCC2)n1)C(=O)Cn1ccnc1-c1ccccc1 95498810 VZXVYBBRGMAMEW-UHFFFAOYSA-N 351.410 2.859 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCc1nc2ccccc2[nH]1 97446865 BYHOIRDKNODTGA-UHFFFAOYSA-N 371.750 2.941 0 50 FFAA CC1(C)C(=O)N[C@H]1C1CCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 294707798 KPLOVUUCSYXVKI-OQBYNLHGSA-N 351.450 2.944 0 50 FFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 95529673 BCLIDMMWFCXVEL-OAHLLOKOSA-N 352.442 2.746 0 50 FFAA Cn1nc(C2CC2)cc1NC(=O)NCCc1cnn(-c2ccccc2)c1 96153495 YKVMZMHQRQSAEB-UHFFFAOYSA-N 350.426 2.847 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1ccc([C@H]2CCCNC2)cc1 95386339 VFCARGCOKGDEHV-FQEVSTJZSA-N 353.466 2.837 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(N2CCSCC2)CC1 95378715 LPGJVCVDHQKKOA-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)[C@@H]1CCCN(Cc2ccco2)C1 95527402 IAMJKXJRKWSTDY-CQSZACIVSA-N 359.495 2.796 0 50 FFAA CCc1noc(C)c1C(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244594179 DHUACWJABJNILT-ZRGWGRIASA-N 356.422 2.722 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)OC1=O 244874905 XJKAHCCBFGPOKJ-HRCADAONSA-N 352.475 2.540 0 50 FFAA COc1ccccc1CC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252550118 RZMRGEPRJFXYQU-SVMVAKDDSA-N 367.445 2.801 0 50 FFAA Cc1oc(CN(C)C(=O)CCN2C(=O)CCc3ccccc32)cc1C(=O)O 299751748 ROHHYJQOLZJZPJ-UHFFFAOYSA-N 370.405 2.614 0 50 FFAA COc1ccc(NC(=O)CN(C)Cc2nncn2C(C)C)cc1Cl 252497592 QKOBBWPKGUNWNV-UHFFFAOYSA-N 351.838 2.592 0 50 FFAA Cc1[nH]nc(CCC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1C 299783998 YJGMPQPAWAMSGB-CYBMUJFWSA-N 360.845 2.534 0 50 FFAA Cc1nc(O)cc(C2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)n1 299784387 GXXCFYGUUUMXFI-UHFFFAOYSA-N 354.410 2.932 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)nc(N)n1 670452779 PUGRNRBXQNGSTJ-CYBMUJFWSA-N 359.499 2.638 0 50 FFAA Nc1nc(CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cs1 670455816 FCQSDEVVXAHKGY-UHFFFAOYSA-N 365.402 2.655 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]2CCN(c3cc(CC4CC4)ncn3)[C@H]1C2 1875408412 VYDCGADXLYPUKR-KZJGEROZSA-N 354.498 2.949 0 50 FFAA C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)C[C@@H](C)N1Cc1ccccc1 1875296227 KRVJJCAHOHIUAN-ISARSNTHSA-N 357.498 2.555 0 50 FFAA CNC(=O)CC1CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)CC1 1875320326 PFFDQJXKJUIJBJ-UHFFFAOYSA-N 369.387 2.966 0 50 FFAA CCCn1ccnc1CCCN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875395396 VVUJAZXOFPNVIE-UONOGXRCSA-N 359.474 2.743 0 50 FFAA O=C(O)[C@@H](c1ccc(F)cc1Cl)N1CCO[C@@H](C2CCOCC2)C1 1875303787 MPHPKBGBCFVNIZ-HZPDHXFCSA-N 357.809 2.732 0 50 FFAA COC(=O)c1ccc2ccccc2c1OC[C@H]1C[N@@]1Cc1cnn(C)c1 1875384990 KPAVOJGPWFPOAR-WAIKUNEKSA-N 351.406 2.623 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)CCOc2ccccc2)n1 952973045 XFQNECJPDLTQMX-MRXNPFEDSA-N 359.426 2.781 0 50 FFAA COC1([C@H](C)NC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCOCC1 884424179 PXHVIXSFHBUNLM-YDHLFZDLSA-N 364.408 2.945 0 50 FFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCO2)[C@H]1CCCc2ccccc21 408269338 JDJSWMQQDCJCKW-SFHVURJKSA-N 371.458 2.937 0 50 FFAA C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](N(C)CC(=O)O)CC3)csc2C1 186663352 BCLQKTOCJLRREF-ZIAGYGMSSA-N 364.511 2.884 0 50 FFAA COc1cc2nc(CCc3ccc4c(c3)CCO4)[nH]c(=O)c2cc1OC 187025840 KYPKJDUAJKVYAR-UHFFFAOYSA-N 352.390 2.660 0 50 FFAA C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCS(=O)(=O)CC1 187092889 HPLYCQGDPKDLBE-YJYMSZOUSA-N 365.495 2.712 0 50 FFAA Cc1cnc([C@H](C)CNC(=O)Nc2ccncc2N2CCOCC2)s1 170609513 KYYKGYAJYASUMD-GFCCVEGCSA-N 361.471 2.608 0 50 FFAA COc1ccccc1-c1nc(CN2CCS(=O)(=O)C[C@H](C)C2)cs1 192107197 WJWDDUOFNDDIEM-CYBMUJFWSA-N 366.508 2.685 0 50 FFAA Cc1nc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n(C)c1C 1529125049 GNMGDBDQBMUUKS-XLIONFOSSA-N 350.466 2.621 0 50 FFAA Cc1nn(CCC(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)c(C)c1C 213122978 HXXGXMRBEHMRLT-MSOLQXFVSA-N 355.438 2.525 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2ccc(C(C)=O)s2)C[C@@H]1C(=O)O 216971345 CXQFXAGSNPJPTI-KGLIPLIRSA-N 373.430 2.900 0 50 FFAA O=C1NCCN1[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 139051538 HABPQTHEKHABFS-HNNXBMFYSA-N 360.845 2.985 0 50 FFAA COc1ccc(C2(C(=O)N(CCO)Cc3[nH]cnc3C)CCCC2)cc1 1704304692 NFTXNGMJGGYYHH-UHFFFAOYSA-N 357.454 2.560 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1F 1704298000 COQOFKFNWBERGX-IAGOWNOFSA-N 357.447 2.804 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1616070568 FNVVWKQMFWKNIP-UGSOOPFHSA-N 369.371 2.584 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc(COc2ccc(C)c(C)c2)on1)C(C)C 11998295 ZFUOKSYKPFCPGR-KRWDZBQOSA-N 360.410 2.798 0 50 FFAA COc1ccccc1CCN1CCC(CN(C)Cc2cnn(C)c2)CC1 12003536 IPWDZAICXOABOM-UHFFFAOYSA-N 356.514 2.815 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1 12138104 OCHPFZLDSHENKP-KRWDZBQOSA-N 374.462 2.705 0 50 FFAA COCCCNc1ncnc2sc(C(=O)NCCSC)c(C)c12 12185173 GTSDHTVVKQJBSX-UHFFFAOYSA-N 354.501 2.541 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)no2)cn1 12308331 SHXIZWAQCXRJFH-AWEZNQCLSA-N 369.425 2.589 0 50 FFAA CC(C)NC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12386456 SQHBGTMLYBDMEJ-LJQANCHMSA-N 365.424 2.897 0 50 FFAA C[C@@H](NC(=O)c1cc(CN(C)Cc2ccccc2)on1)c1cnn(C)c1 12836965 AJTHBTWQRVSVRN-CQSZACIVSA-N 353.426 2.531 0 50 FFAA Cc1nonc1CNC(=O)[C@H]1CC(Cc2cccc3ccccc23)=NO1 15071133 LKPDCAPCHWUEAW-GOSISDBHSA-N 350.378 2.535 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1cccs1 19228538 UHSZIIXRDXLNPQ-QGZVFWFLSA-N 374.506 2.588 0 50 FFAA O=C(Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1cccnc1 19853808 FXHXTCXIJZTOBD-UHFFFAOYSA-N 362.437 2.763 0 50 FFAA Cc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccnc5)n4)c3CO2)cc1 169769295 QAGAUQCXTBXYEA-INIZCTEOSA-N 360.377 2.970 0 50 FFAA Cc1cc(C)c(NC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)c(C)c1 169779496 UXNKVBURSDMOAK-UHFFFAOYSA-N 364.449 2.939 0 50 FFAA COc1ncc(Cl)c(NCc2ccc(Cn3ccccc3=O)cc2)n1 301697519 NTEUIPROENZRDB-UHFFFAOYSA-N 356.813 2.961 0 50 FFAA CC(=O)NC1CCN(C(=O)c2cccc(COc3ccc(C)nc3)c2)CC1 114254431 OLXVQXZCAXONIW-UHFFFAOYSA-N 367.449 2.710 0 50 FFAA CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC(C)=O 3174258 LKTIYBGKWLNKGK-YBEGLDIGSA-N 365.341 2.882 0 50 FFAA CCn1nc(C)c(CC(=O)N2CCC3(CC2)C[C@@H]3c2nnc(C)o2)c1C 370743710 XJNXFNWDRGBQRI-MRXNPFEDSA-N 357.458 2.550 0 50 FFAA CC(C)Oc1ccc2ccccc2c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704332137 PPJOHQQYPSQHIX-SJORKVTESA-N 354.450 2.574 0 50 FFAA CNC(=O)c1ccc(CNC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1 847282380 OSUPUUXFIGIHFU-HNNXBMFYSA-N 359.470 2.679 0 50 FFAA Brc1ccc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)cc1 1087760 BTTYPOJFZFQLSH-UHFFFAOYSA-N 359.183 2.880 0 50 FFAA Cc1ncc(C(=O)Nc2nnc(-c3cnccn3)o2)c(-c2ccccc2)n1 2100477172 MBUSODSRJDHWQW-UHFFFAOYSA-N 359.349 2.544 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)N2CCn3ccnc3[C@H]2C)cc1 2325780994 AESBIZMSOPAJLU-CQSZACIVSA-N 350.426 2.664 0 50 FFAA C[C@@H]1Cn2nc(C(=O)Nc3ccc(OC(F)F)c4cccnc34)cc2CN1 2325795544 LWGHXEOPBFDLGE-SNVBAGLBSA-N 373.363 2.777 0 50 FFAA CC(C)N(C)Cc1cccc(CNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c1 1443647825 TYSQADOCNBXULX-HXUWFJFHSA-N 369.513 2.947 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1OC 881606 WHDLQDNVGUOOAP-UHFFFAOYSA-N 373.434 2.789 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 952424 WOEHDBBYALSZBM-UHFFFAOYSA-N 356.407 2.637 0 50 FFAA CCc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 2871746 ZWZLZCYJWRSNKF-UHFFFAOYSA-N 361.467 2.501 0 50 FFAA COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1 9108867 KCULHHZIGAWRQN-UHFFFAOYSA-N 362.433 2.772 0 50 FFAA CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1 9873445 ICRBBJNRCFSFEO-RDJZCZTQSA-N 352.500 2.701 0 50 FFAA O=c1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)nc2sccn12 20437273 ZNHFWLNEFGWJKL-UHFFFAOYSA-N 374.897 2.727 0 50 FFAA COc1ccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)cc1C 104358104 ULSYDWDJJXVCQX-LJQANCHMSA-N 364.555 2.768 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cc(COc2cccc3cnccc23)on1 67431719 MYSWOQYDEHGTIK-CQSZACIVSA-N 353.378 2.711 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@@H](C)Cc3ncccc3C)CCNCC2)cc1 65453280 VGWYTHHWDRDWBL-SFHVURJKSA-N 367.493 2.947 0 50 FFAA Cc1cc(=O)c(OCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)co1 409413713 KTEZVIQJBOSWGA-UHFFFAOYSA-N 356.353 2.532 0 50 FFAA CCN(CC)c1cc(N2Cc3cnc(-c4ccccc4)nc3C2)nc(N)n1 67884322 XNTXNVWUCRUNGN-UHFFFAOYSA-N 361.453 2.882 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)NCCc1nc2ccccc2s1 1506400360 DCODWONIUVJQDX-OAHLLOKOSA-N 356.447 2.703 0 50 FFAA O=C(O)c1cc(O)cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)c1 1506399220 KYUGGLFPSPUSNM-INIZCTEOSA-N 361.419 2.738 0 50 FFAA Cc1c(Cl)cccc1NC(=O)NCCNc1ccc(-n2cccn2)nn1 67604242 BRXHYZGYRVGFGS-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA Cc1ccsc1CNc1ccc(C(=O)NCc2cc(=O)[nH]cn2)cc1 65398458 SVAKWEIKNGSSCO-UHFFFAOYSA-N 354.435 2.682 0 50 FFAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(OC(F)F)n(C)n1 281754864 KBFVUIOSWUOKGT-GFCCVEGCSA-N 353.373 2.605 0 50 FFAA O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1CCc1ccccc1 30903959 ATCSQWXDUDDCQK-NRFANRHFSA-N 373.456 2.896 0 50 FFAA biogenic CCNc1cc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)nc(C)n1 65364536 ZRRTXBLJTMCIFN-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA COc1ccc(C)cc1-n1c(SCC(=O)O)nnc1-c1ccncc1 65455218 DTVRAEBITUCWLR-UHFFFAOYSA-N 356.407 2.823 0 50 FFAA C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1 151849916 NYAPTMQEOIVGPJ-OAHLLOKOSA-N 363.465 2.924 0 50 FFAA CC(C)[C@@H]1CN(S(=O)(=O)C2CC2)CCCN1Cc1ccc(F)cc1 71747141 VXMRHPVCKKQMMJ-SFHVURJKSA-N 354.491 2.850 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)oc12 72152446 DKLNFBNQJHVOAJ-QGZVFWFLSA-N 364.785 2.762 0 50 FFAA Cc1nn(CCC(=O)N2CC[C@H](C)C2)c(C)c1CCC(=O)N1CC[C@@H](C)C1 328667945 DJUYRRBNYOMMQJ-CVEARBPZSA-N 374.529 2.559 0 50 FFAA CC(C)N1CCO[C@@H](CC(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 77458539 WOBVWWGRVCESNZ-IBGZPJMESA-N 364.461 2.695 0 50 FFAA Cc1[nH]c2c(CN3CCCO[C@H](CN4CCOCC4)C3)cccc2c1C 215441208 RLAJZZBXJJXXCZ-LJQANCHMSA-N 357.498 2.708 0 50 FFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)cn1 377544446 PVQRWELOQHWHHR-FZKQIMNGSA-N 354.410 2.562 0 50 FFAA COc1ccccc1O[C@H](C)CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12 172905651 QSZFBGXLVCJIBB-GFCCVEGCSA-N 370.380 2.873 0 50 FFAA Cc1noc(C2CCC(N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 368597826 YIUWCHABAWFQRS-DAWZGUTISA-N 354.454 2.795 0 50 FFAA COc1cc(NC(=O)CCc2cc3n(n2)CCNC3)cc(C(F)(F)F)c1 72458777 WGEGCCLVMQEIOK-UHFFFAOYSA-N 368.359 2.585 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)s1 72431483 QBZIAXSOAIYNEN-UHFFFAOYSA-N 366.446 2.856 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(Cl)cc3)ccc21 77357440 STDYJRBODFVCPK-UHFFFAOYSA-N 373.840 2.950 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CCC(CCn3cccn3)CC2)cc1 219923754 FBIMRTIOUPVJMY-UHFFFAOYSA-N 355.438 2.793 0 50 FFAA Cc1cc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)nc(N)n1 72153598 HUNKIIULGISTLM-OAQYLSRUSA-N 351.498 2.902 0 50 FFAA O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333597965 PZOHITIEDVGQOQ-SIKLNZKXSA-N 362.477 2.554 0 50 FFAA CCCn1cc(CNc2nc(-c3ccco3)nc3c2CCNCC3)cn1 72428784 UURYJZPNQMAYGG-UHFFFAOYSA-N 352.442 2.643 0 50 FFAA Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](c2ccccc2)C2(CCC2)C1 333949791 XOPOTDXYCBZMTM-SJORKVTESA-N 354.454 2.677 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)c3cc(N4CCOCC4)ccn3)c2)o1 131303651 IYDNKQWZYKNOAM-UHFFFAOYSA-N 365.393 2.529 0 50 FFAA CCN1CCN(c2ccc(C(=O)NCc3nccn3CC(C)C)cc2)CC1 175924778 AWPNIUSQRHROBO-UHFFFAOYSA-N 369.513 2.611 0 50 FFAA Cc1cc2ccccc2n1CCNC(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2C 426405538 MUSMOUAXVTXFEK-MSOLQXFVSA-N 368.481 2.602 0 50 FFAA O=C(c1ccc(-c2ccc3occc3c2)cc1)N1C[C@@H](CO)[C@H](CO)C1 426518956 KTEHLQNKUDOASQ-OALUTQOASA-N 351.402 2.773 0 50 FFAA CSCc1ccc(C(=O)N[C@H]2CCCCN(C(=O)c3cccnc3)C2)o1 82098018 IYPKNPOUUWBPDN-HNNXBMFYSA-N 373.478 2.962 0 50 FFAA CCCc1nc(C)c(CNC(=O)CN2CCOc3ccccc3C2)s1 223375681 GWIOPYVXJLWDDO-UHFFFAOYSA-N 359.495 2.915 0 50 FFAA CCCc1nc2ccccc2n1[C@H](C)C(=O)NCCSc1nc[nH]n1 426658266 DUMBVRZBPUTSTQ-GFCCVEGCSA-N 358.471 2.576 0 50 FFAA Cc1nc(CCNC(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)nc2c1CCCC2 426550118 YKHZERKVCGLWBU-HNNXBMFYSA-N 370.501 2.949 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCC[C@](CC2CC2)(C(=O)O)C1 91440364 ZDLZYICLIOKCKU-OAQYLSRUSA-N 372.465 2.630 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CCc3c(C)noc3C)C[C@H]2C(=O)O)c1 91664165 FFIFDHWQUJXWAN-ZWKOTPCHSA-N 372.421 2.559 0 50 FFAA C[C@@H]1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)Cc2ccccc2O1 292158732 CKNPAHRIJFZULC-LLVKDONJSA-N 368.359 2.932 0 50 FFAA CN(C)C(=O)NCC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91493686 LFRIARGHAHLPTQ-UHFFFAOYSA-N 365.477 2.866 0 50 FFAA CN(Cc1ccccc1)C(=O)C1CCN(C(=O)CCc2ccncc2)CC1 97495457 JNIJAOARPHVHJM-UHFFFAOYSA-N 365.477 2.911 0 50 FFAA NCCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OC3CCCC3)c1)CC2 91536357 ZMFAAMIDNPUWFY-RTWAWAEBSA-N 374.525 2.699 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@H](c2ccccc2F)N(C)C)C1 91562783 RTDKXLZEKXHIOV-IBGZPJMESA-N 358.413 2.727 0 50 FFAA Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCNCC2)cc1 237691513 HNGCYIYVRJZHKD-UHFFFAOYSA-N 360.461 2.952 0 50 FFAA c1cn2nc(N3CCN(Cc4ccc([C@@H]5CCCO5)s4)CC3)ccc2n1 97729579 AVISTPMJXDOZDK-INIZCTEOSA-N 369.494 2.965 0 50 FFAA O=C1[C@@H](NC2CCOCC2)CCCN1Cc1cccc(C(F)(F)F)c1 179973403 CFQGSSYNZWLJME-INIZCTEOSA-N 356.388 2.965 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC(N2CCSCC2)CC1 97675468 FEUZPYSLROXYFP-UHFFFAOYSA-N 370.522 2.585 0 50 FFAA CCCn1ncc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C 91325653 YBSPTTFKJNHXHM-UHFFFAOYSA-N 354.454 2.767 0 50 FFAA Cc1nn(Cc2nc(-c3ccc4nc[nH]c4c3)no2)c(=O)c2ccccc12 95387674 GLRHQNUUUGYCPM-UHFFFAOYSA-N 358.361 2.680 0 50 FFAA CCn1ccnc1C1CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1 91781363 YTHKEWTWJUAJEN-GOSISDBHSA-N 365.481 2.660 0 50 FFAA O=C(c1cnccn1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91586070 CAIYCCJPSQGKLX-RBUKOAKNSA-N 350.466 2.646 0 50 FFAA Cn1cc([C@@H](NC(=O)c2cccc(-c3ccco3)c2)[C@H]2C[C@@H](O)C2)cn1 244874966 XKEPAMOTGSDCKM-WDYCEAGBSA-N 351.406 2.922 0 50 FFAA O=C(CCn1cnc2ccccc21)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244723545 MDNHLEPJVHQJOU-BJLQDIEVSA-N 363.461 2.925 0 50 FFAA COc1ccc(Cl)cc1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252533084 FUWSSRPODJXONK-ISTRZQFTSA-N 360.841 2.856 0 50 FFAA O=S(=O)(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(Cl)c1 252551371 UDHBQXASFBXHFO-AXAPSJFSSA-N 352.843 2.526 0 50 FFAA Cc1cc2ccccc2n1CC(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O 184036373 QBGKPKHPBCRMBK-PKOBYXMFSA-N 354.450 2.936 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](CCN)C2)cc1Cl 440803659 VARNNIJXRTYQGP-SNVBAGLBSA-N 367.298 2.752 0 50 FFAA CC(=O)NCCc1nc(COc2ccccc2)nn1-c1cccc(C)c1 820580656 PSUVTJHRLJEMMS-UHFFFAOYSA-N 350.422 2.833 0 50 FFAA CC[C@H](NC(=O)N(C)CC1CCOCC1)c1ccc(S(C)(=O)=O)cc1 584889061 BZBFNPIMGMCZKF-KRWDZBQOSA-N 368.499 2.609 0 50 FFAA COc1ccn2ncc(C(=O)NC[C@@H](O)c3cccc(OC(C)C)c3)c2c1 1875254999 GHAGQTWIVJBLAS-LJQANCHMSA-N 369.421 2.594 0 50 FFAA COC(=O)[C@]1(F)CCN(C(=O)c2nc(C)sc2-c2ccc(F)cc2)C1 1875280505 PZZQEDVSUAGBKZ-KRWDZBQOSA-N 366.389 2.985 0 50 FFAA Cc1cc(C)cc(-n2ncc3c(N[C@H]4CCNC(=O)CC4)ncnc32)c1 1875295426 XRHCKRCBKJZWHD-CQSZACIVSA-N 350.426 2.513 0 50 FFAA CS(=O)(=O)c1nn(C[C@@H]2CC=CC[C@H]2C(F)(F)F)nc1C(F)F 1875291250 SIRGVPWFIPLMTJ-JGVFFNPUSA-N 359.320 2.764 0 50 FFAA C=CC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc3nc(C)sc3c2)C12CCC2 1875386055 IAZZRCVNPTWTKA-CVEARBPZSA-N 355.463 2.948 0 50 FFAA Cc1cccc(S(=O)(=O)NS(=O)(=O)c2ccc(C)cc2Cl)c1 1875333034 WBTJSFXIGDHMGI-UHFFFAOYSA-N 359.856 2.624 0 50 FFAA Cc1cc(C(=O)O)cc(C(=O)N[C@@H](Cc2cnn[nH]2)c2ccccc2)c1 1875358534 ZGQQDCAPZYFKDC-KRWDZBQOSA-N 350.378 2.525 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)/C=C/c1cc(CO)cs1 952981385 HTKKHYGSLMZVLO-DVBCCOPCSA-N 356.491 2.769 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 1320255209 WQWSEJPUQNDZOR-OAHLLOKOSA-N 368.441 2.968 0 50 FFAA C[C@@](O)(CC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 272757051 PMSFPARJOWLBKS-MGPUTAFESA-N 355.438 2.951 0 50 FFAA Cn1c([C@H]2CCCN2CCS(=O)(=O)c2ccccc2)nc2c1CCCC2 275892028 HUHHTXCSWZNIAL-LJQANCHMSA-N 373.522 2.910 0 50 FFAA Cc1c(C(=O)N(C[C@H](C)C(=O)O)C2CC2)nnn1-c1ccccc1Cl 170067874 OBVFIEOKUPNTDT-JTQLQIEISA-N 362.817 2.554 0 50 FFAA CNC(=O)c1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)nc2)c1 171372086 CMZQQBBOHALGQS-UHFFFAOYSA-N 366.465 2.608 0 50 FFAA c1cc2c(cc1O[C@H]1OC[C@@H]3[C@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 1501058423 ZZMNWJVJUKMZJY-WZBLMQSHSA-N 370.357 2.883 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C 1704299432 PKINSHXGWUBQSJ-MOPGFXCFSA-N 374.506 2.851 0 50 FFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1nc2ccccc2s1 1704354498 FIEJZLLTCGFZCW-UHFFFAOYSA-N 357.483 2.542 0 50 FFAA O=C1C[C@H](c2nnc3n2-c2ccccc2COC3)CN1Cc1ccccc1 1772807302 MAPFVGKQRCZDNU-KRWDZBQOSA-N 360.417 2.814 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCOC[C@@H](CN(C)C)C2)o1 1772702229 QNEPFTNZUUACGK-HNNXBMFYSA-N 360.458 2.540 0 50 FFAA Cc1cccc(CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)n1 11934987 XWDWSETYAPTPGC-UHFFFAOYSA-N 355.829 2.656 0 50 FFAA COc1ccccc1CCC(=O)NCc1nnc(SCC(C)C)n1C 12212115 YIXYUAZZDAXHEJ-UHFFFAOYSA-N 362.499 2.821 0 50 FFAA Cc1c(CC(=O)NCC(N)=O)c2c(n1C1CCCCC1)CC(C)(C)CC2=O 12588510 OSQWTSQSDJIASK-UHFFFAOYSA-N 373.497 2.601 0 50 FFAA Cn1c(SCC(=O)NC2=NCCS2)nnc1-c1cc2ccccc2o1 13945022 YIDDDOQNBFBJJF-UHFFFAOYSA-N 373.463 2.539 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NC1CCCC1)CC2 14743838 DXLHATVDKMVXIP-GOSISDBHSA-N 366.509 2.875 0 50 FFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCc1cccs1)C2 14749581 QWXCKOLKEAJQLP-HNNXBMFYSA-N 374.554 2.992 0 50 FFAA COc1ccc(Nc2nc(N)nc(CSc3nnc(C)s3)n2)cc1 17180828 NSJYXHHAHKTIEN-UHFFFAOYSA-N 361.456 2.658 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)o1 19731040 FPYPFFLWBMCETP-IBGZPJMESA-N 360.502 2.578 0 50 FFAA COc1ccccc1N1CCN(c2ncc(C(=O)O)c(C(C)C)n2)CC1 169751153 PHTQIDWIFCWXEH-UHFFFAOYSA-N 356.426 2.633 0 50 FFAA O=C(Cc1ccoc1)N[C@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@@H]1O 1857527732 OXAWTYCRNYLVIN-WDSOQIARSA-N 365.433 2.642 0 50 FFAA O=C(NC1CC1)c1cn([C@H]2CC[C@@H](NCc3ccccc3F)CC2)nn1 1857668603 ZQZORMSKWVHRBC-FZNQNYSPSA-N 357.433 2.583 0 50 FFAA CCCN1CCC(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)CC1 1857676783 SKAIIDSRDDSJQA-OAQYLSRUSA-N 357.498 2.610 0 50 FFAA CC(C)Cc1nc(CN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)no1 1857693211 MZFRWCQVVXDCPC-HXUWFJFHSA-N 370.453 2.517 0 50 FFAA O=C1CCOC2(CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)CN1 1857730824 YUZPMGXGWSGUJE-UHFFFAOYSA-N 370.493 2.786 0 50 FFAA Cc1noc(C)c1CNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857732340 MKJNXHOTDIFWRF-LBPRGKRZSA-N 370.434 2.570 0 50 FFAA CC1=C(C(N)=O)[C@H](c2cccc(OCc3ccccc3)c2)NC(=S)N1 4387606 BOIVTWFOXRKSRX-KRWDZBQOSA-N 353.447 2.544 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1 238197745 IZUCLAAKKWBBRH-GOSISDBHSA-N 353.418 2.788 0 50 FFAA CC(C)c1ncsc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 448721063 HSFDSJGRBZLDTQ-UHFFFAOYSA-N 359.451 2.991 0 50 FFAA CC(C)CCc1cc(NC(=O)Nc2cccnc2N2CCOCC2)[nH]n1 242389206 ZVFHZIPVERJONG-UHFFFAOYSA-N 358.446 2.874 0 50 FFAA CC(C)(CCCc1ccccc1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 132229529 HSTFRAGOXXXVPJ-QGZVFWFLSA-N 366.527 2.576 0 50 FFAA O=C(O)[C@@]12CN(Cc3cccc(F)c3)C[C@@H]1CN(Cc1cccs1)C2 247428851 UDFWGMCJHQIZPR-DNVCBOLYSA-N 360.454 2.906 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N1C[C@H]2CC[C@H]1c1ccccc12 374651260 AUHODPDGKMHOGO-ABAIWWIYSA-N 353.394 2.771 0 50 FFAA O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCc2n[nH]cc2C1 852212816 DWHZXAWIPJVLIL-NHYWBVRUSA-N 369.252 2.607 0 50 FFAA O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)N1CCCC1 1062122 VMWYCMGEHRKDPS-UHFFFAOYSA-N 363.414 2.831 0 50 FFAA COC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1 11690360 XJSSMUVOHBYTHT-UHFFFAOYSA-N 350.378 2.923 0 50 FFAA CCN1CCN(CC)CCN(C(=O)CCCc2nc3ccccc3o2)CC1 2325764893 SOIYUWZDJDFJGY-UHFFFAOYSA-N 372.513 2.637 0 50 FFAA O=C(c1cc2ccnc(Cl)c2[nH]1)N1CCN[C@@H](Cc2ccccc2)C1 2325797954 BMHHCQRZMHUGNU-HNNXBMFYSA-N 354.841 2.873 0 50 FFAA C[C@@H](C(=O)NCc1cnc(C(C)(C)C)[nH]1)n1ccc2ccccc2c1=O 2325812994 ANTSLIOTKCLDPK-ZDUSSCGKSA-N 352.438 2.900 0 50 FFAA COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1 821260 LIPWUCQQDLWERZ-UHFFFAOYSA-N 374.462 2.513 0 50 FFAA COc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 857871 RWOMTDZSKOJIHZ-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 877662 QHAKFKAVCZNIBK-UHFFFAOYSA-N 374.495 2.551 0 50 FFAA O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 3020255 HHZBIWNNZZENNL-UHFFFAOYSA-N 366.414 2.523 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCc2nc(C3CC3)nn2CC1 2356168320 YOLXAHKNSVMVTN-UHFFFAOYSA-N 360.845 2.581 0 50 FFAA Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)no1 4867623 QVIKXBIXFHTUQR-UHFFFAOYSA-N 369.830 2.673 0 50 FFAA CCSc1nnc(NC(=O)c2cc(OC)c(OC)cc2OC)s1 6232390 PKSRHZJJTWFOMI-UHFFFAOYSA-N 355.441 2.928 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3)CC2)C1 6699450 BIWKGQZHLMGLGB-RBUKOAKNSA-N 374.456 2.917 0 50 FFAA Clc1ccc(/C=C/c2nn3c(CN4CCOCC4)nnc3s2)cc1 57524449 AHIJDXWCSZYVFF-ZZXKWVIFSA-N 361.858 2.842 0 50 FFAA CCC(=O)N1CCCC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 113092002 BGZSPJMELICNHO-HXUWFJFHSA-N 371.525 2.901 0 50 FFAA CCSc1nc(CC(=O)NCCc2[nH]nc3c2CCCC3)cs1 55403359 QSULNFYVRXBEMD-UHFFFAOYSA-N 350.513 2.758 0 50 FFAA COc1ccc(CCNCc2cn(CCC(N)=O)c3ccccc23)cc1 55183303 PZVZGDJPRGGNOQ-UHFFFAOYSA-N 351.450 2.858 0 50 FFAA O=C1C[C@@H](c2ccccc2)N(C(=O)Cc2c[nH]c3ccc(F)cc23)CCN1 115034023 CHFVQUAEKANRGO-IBGZPJMESA-N 365.408 2.939 0 50 FFAA Cc1ccccc1-c1ncc(CN2CCN(CCn3cncn3)CC2)s1 65494168 AMQFMZREIGIFLZ-UHFFFAOYSA-N 368.510 2.528 0 50 FFAA O=C1C[C@H](c2nc(-c3ccc4nn[nH]c4c3)no2)CN1c1ccccc1F 350492831 ZYVCEVDNFSFYSY-NSHDSACASA-N 364.340 2.668 0 50 FFAA O=C(NCC(F)(F)c1ccccc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 332867047 TWIWDLGHOICXSY-LSDHHAIUSA-N 372.437 2.530 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(Sc2ccc(C)cc2)o1 67881365 YPATWGCRHGRBEA-PBHICJAKSA-N 359.495 2.777 0 50 FFAA O[C@H](COc1ccc2c(c1)CCC2)CN1CCN(Cc2ccccc2)CC1 22298714 LDJFPJRSADPBMC-QFIPXVFZSA-N 366.505 2.733 0 50 FFAA COc1cc(-c2nc(CN(C)CCC(C)(C)O)c(C)o2)cc2c1OCO2 67773782 MUQSXZFKJAELGO-UHFFFAOYSA-N 362.426 2.980 0 50 FFAA O=C(NC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccn[nH]2)CC1 120925488 ZAHCDMYIBWORJO-UHFFFAOYSA-N 367.497 2.963 0 50 FFAA CCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1cc(C)c(C)cc1OC 1506422623 AFJPCOBDPRFCDO-UHFFFAOYSA-N 365.499 2.873 0 50 FFAA CC[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)C12CC3CC(CC(C3)C1)C2 328589555 LJADEDROBJSJQO-RZVNPHJZSA-N 354.560 2.853 0 50 FFAA COc1ccnc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328621141 AHWDNNRLYKPJPI-GFCCVEGCSA-N 354.376 3.000 0 50 FFAA O=C([C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1)N1CCc2cnccc21 328602542 BZXACGUNWJOXIK-PZJWPPBQSA-N 374.444 2.993 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1OC 2760434 ZDLSASTUKFYNCC-UHFFFAOYSA-N 373.434 2.749 0 50 FFAA CCOC(=O)[C@](O)(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2769560 LPQYAEUOVJKAFS-GFCCVEGCSA-N 373.249 2.891 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 218824969 PWQXXYMVJFNEPZ-JKSUJKDBSA-N 372.513 2.724 0 50 FFAA O[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[C@H]1N1CCCCCC1 12597624 WMLZPPIYCZJWBU-IAGOWNOFSA-N 366.889 2.880 0 50 FFAA CC(=O)Nc1ccsc1C(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 72150041 NZVNSRMFALOOJQ-CQSZACIVSA-N 371.462 2.510 0 50 FFAA CC[C@@H]1CN(C(=O)C2(COC)CCC2)CCC(=O)N1Cc1ccccc1 71753140 CAIJTLCZAHZHDF-GOSISDBHSA-N 358.482 2.843 0 50 FFAA COc1cccc(CN2CC3(CCN(C(=O)N4CCCC4)CC3)CC2=O)c1 77406666 GPWCQTOCEZZUFJ-UHFFFAOYSA-N 371.481 2.726 0 50 FFAA Cc1ccoc1C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 71776333 OVFKSWUGRZLYHK-UHFFFAOYSA-N 363.421 2.705 0 50 FFAA O=S(=O)(N[C@H]1CCCC[C@@H]1n1cccn1)c1cnc2ccsc2c1 333032211 HTYMUVHMCOFLPK-ZFWWWQNUSA-N 362.480 2.955 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)Nc1cnn(CC(F)(F)F)c1)C2 151951617 VLJMTIAXBJGWBR-LLVKDONJSA-N 370.331 2.579 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n(C)n1 77540511 ODVPIPLAPXTFHE-UHFFFAOYSA-N 366.509 2.859 0 50 FFAA CCCc1cc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)no1 72457834 FGJSJMOKLOSCKF-UHFFFAOYSA-N 351.410 2.533 0 50 FFAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@H](N3CCCC3)CC2)cn1 334117349 IGCJBAJNEXEPEP-ZCNNSNEGSA-N 374.529 2.848 0 50 FFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@H](CC(=O)O)C2)cc1 262830676 SAEGNXLQXMVVFA-MRXNPFEDSA-N 367.401 2.542 0 50 FFAA O=C(CCCN1CCOCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 77355035 YIAIZIUSVLNEKO-KRWDZBQOSA-N 364.461 2.556 0 50 FFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 262102907 HPWYIHGBRBUANL-MGPQQGTHSA-N 357.328 2.686 0 50 FFAA O=C(c1cnn2cccnc12)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 77470875 PGNHSSLWRGDUIL-CQSZACIVSA-N 360.421 2.701 0 50 FFAA Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)CC(C)C 72163605 WVRPAIGDQLQGNW-FQEVSTJZSA-N 373.541 2.826 0 50 FFAA O=C(c1ccncc1C(F)(F)F)N1CC[C@](CO)(c2ccccc2)C1 291186396 LBQJUNGZRWLXDN-KRWDZBQOSA-N 350.340 2.877 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H]2CCO[C@@H]21 222396363 ULSDRBMHJVDTGR-PYTWLRIVSA-N 361.829 2.510 0 50 FFAA Cc1ncsc1CCC(=O)N1CCc2nnc(-c3ccccc3)n2CC1 82087572 RQTKPXJLOZQNOO-UHFFFAOYSA-N 367.478 2.728 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)n(C)n1 82087676 UGIOCWXDWXXPJM-LBPRGKRZSA-N 354.414 2.555 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)NCc1noc(C2CCCC2)n1 223075823 QNLRDIUKDBPALJ-UHFFFAOYSA-N 366.421 2.667 0 50 FFAA COc1ccnc(-c2cccc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2)n1 426530405 KKHMEHOFCNVDQF-UHFFFAOYSA-N 365.437 2.775 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cccn3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95391769 HDEOXAJIEFPBOH-CEWLAPEOSA-N 365.477 2.736 0 50 FFAA O=C([C@@H]1CCCCn2nnnc21)N(Cc1ccccc1)Cc1nccs1 97213015 ZINRKUDNGIQKOZ-OAHLLOKOSA-N 368.466 2.626 0 50 FFAA O=C1OCC2(CCN(C(=O)c3cc(-n4cccn4)ccc3Cl)CC2)O1 426514609 FNNJDBXPXOUNJX-UHFFFAOYSA-N 361.785 2.667 0 50 FFAA Nc1ncc(C(=O)NCCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 97610074 MSSKKIVSGOYLCZ-UHFFFAOYSA-N 358.405 2.575 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCN(C2CCSCC2)CC1 97634978 XUBWSYPHWZKOTQ-UHFFFAOYSA-N 370.522 2.585 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 92027948 QCASOUSOWVLUMR-LJQANCHMSA-N 359.514 2.533 0 50 FFAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239046280 FMOBYPQXHDYUMX-WSHGUSNWSA-N 364.445 2.629 0 50 FFAA CC(C)n1cc(NC(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 97076536 LOVSVFIZCZLNDN-MRXNPFEDSA-N 371.441 2.997 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)C[C@@H]2C)cc1 239259385 ZCYMVDQSLCSQSO-FYAJOAKPSA-N 356.466 2.779 0 50 FFAA Cc1ccc2[nH]c(CN3CCC([C@@H](C)N4CCOCC4)CC3)cc(=O)c2c1 91444623 YYTPIWCOJKAEQZ-QGZVFWFLSA-N 369.509 2.769 0 50 FFAA CCCN(C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O)[C@@H]1CCCC[C@H]1O 91435119 KRNFFLILBIRXSH-QZTJIDSGSA-N 369.465 2.901 0 50 FFAA Cc1n[nH]c(SCCNC(=O)c2ccc(CN3CCCCC3)cc2)n1 91896294 ZHUWFGVFQSWENY-UHFFFAOYSA-N 359.499 2.621 0 50 FFAA O=C1N(CC2CC2)CCC[C@]12CCN(c1nccc(C(F)(F)F)n1)C2 91756023 RWOLSPRHBQIHMC-MRXNPFEDSA-N 354.376 2.724 0 50 FFAA Cc1cccc(-n2nc(-c3ccc(F)c(F)c3)nc2CCCC(N)=O)n1 97217501 VDELULONBOUXAK-UHFFFAOYSA-N 357.364 2.724 0 50 FFAA Cc1ccc([C@@H](C(=O)NC2CCN(C(=O)C3CCCC3)CC2)N(C)C)cc1 95380963 WZTWUHWOABZVBT-FQEVSTJZSA-N 371.525 2.895 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2cccc([C@H]3CCNC3)c2)CC1=O 92077844 MEJJUYOJVDYZFO-IBGZPJMESA-N 363.461 2.561 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@@H]2C=C(C)c3cc(C)ccc3N21 248379657 NNERDYKOTGZKJU-INDMIFKZSA-N 366.461 2.958 0 50 FFAA CCn1c(CN(C)Cc2ccc3ncccc3c2)nnc1[C@H]1C[C@@H](N)C1 244882455 XSAWAZGAGNOYMX-CALCHBBNSA-N 350.470 2.683 0 50 FFAA CC[C@H](C)c1ccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)cc1 244795080 QZCPWKVFQPKARN-INIZCTEOSA-N 368.481 2.925 0 50 FFAA COCCc1noc(CN2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)n1 244874754 XGTKENZXMRKQJB-CQSZACIVSA-N 355.442 2.823 0 50 FFAA CC(C)CN1C[C@H](OCc2ccccc2)CN([C@H]2CCSC2)CC1=O 244734496 NGOSMZIUSRXQJD-RBUKOAKNSA-N 362.539 2.878 0 50 FFAA CCN(CC)[C@H](CNC(=O)c1cnccc1N(C)C)c1cccc(OC)c1 183493349 VHECLVRUMBIBIL-HXUWFJFHSA-N 370.497 2.969 0 50 FFAA CC(C)C[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)O 185312858 BFLMXRBWQZHGME-APWZRJJASA-N 360.498 2.945 0 50 FFAA CC1(C)NC(=O)N(CC(=O)NCc2sc3ccccc3c2Cl)C1=O 827827465 IRCNBTJCFMXPFX-UHFFFAOYSA-N 365.842 2.501 0 50 FFAA CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccc4c(c3)CCO4)C2)s1 823565222 CHJHCOWNIVODGC-ZDUSSCGKSA-N 372.494 2.682 0 50 FFAA Cc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 185460351 BRZUVTRSUQBBTI-IBGZPJMESA-N 356.426 2.512 0 50 FFAA Cc1ccn2cc(CNC(=O)CCCc3nc(-c4ccco4)no3)nc2c1 670473124 VZMQXPQXKOJHCL-UHFFFAOYSA-N 365.393 2.925 0 50 FFAA c1csc([C@@H](CN=c2[nH]c(C3CC3)nc3[nH]ccc23)N2CCOCC2)c1 1875328055 WEIYFQOQKFPNBU-OAHLLOKOSA-N 369.494 2.804 0 50 FFAA CCCNC(=O)c1ccc(NC(=O)c2nccn3nccc23)cc1Cl 1875350048 YUHPNFOHSFHNCT-UHFFFAOYSA-N 357.801 2.775 0 50 FFAA COC[C@@]1(CN=c2[nH]c(-c3cccnc3)nc3ccccc23)CCCO1 1875332594 AGJKPALIQDJTEF-FQEVSTJZSA-N 350.422 2.721 0 50 FFAA O=C(NC[C@]12CCCN[C@H]1C2)[C@@H](c1ccccc1)n1cnc2ccccc21 1875276561 BOQQSUAAFVSUGN-TUNNFDKTSA-N 360.461 2.884 0 50 FFAA Cc1cc2[nH]c(C(=O)N3CC[C@@H](C4CC4)[C@@H]3c3nnc(O)n3C)cc2o1 1875401833 UAUGVVPJULABAU-XHDPSFHLSA-N 355.398 2.517 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952987304 VYJWHDPXBXGLGZ-HXUWFJFHSA-N 358.401 2.722 0 50 FFAA O=C(NCCNC(=O)C1(N2CCCC2)CCCC1)c1ccccc1Cl 952868974 JKPZWLLFEPFJSK-UHFFFAOYSA-N 363.889 2.595 0 50 FFAA Cc1nnccc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 269974992 UPRITQNWPYOVCO-OAHLLOKOSA-N 364.371 2.808 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)NCc1cccs1 222025757 ZOWOQVGUPXCHKV-LUIVIUGWSA-N 363.479 2.627 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)n1 170604559 UFIIRXIIZCPHEX-HOTGVXAUSA-N 364.490 2.652 0 50 FFAA Cn1cc([C@@H]2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cn1 171514562 KQIQFVWYBVOJKQ-SFHVURJKSA-N 373.432 2.765 0 50 FFAA Cc1c(C(=O)OCc2ccccc2)nnn1-c1ccc2c(c1)OCCO2 731456165 ASVQFNCLQVSCRJ-UHFFFAOYSA-N 351.362 2.704 0 50 FFAA Cc1nc2ccccc2nc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O 192987208 HUYMCADNYHRJEH-JOCHJYFZSA-N 372.428 2.918 0 50 FFAA CC[C@H]1CCc2nc(NC(=O)NC3CCN(CCOC)CC3)sc2C1 194472806 YDRDNGQDIPCTRU-ZDUSSCGKSA-N 366.531 2.890 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCN(CC(F)(F)F)C1 195164813 NDAHMSFENNOMIA-OAHLLOKOSA-N 366.387 2.763 0 50 FFAA O=C([C@@H]1CCCN1C1CCNCC1)N(Cc1ccccc1)CC(F)(F)F 97675466 URBLKOOXFHRNPK-KRWDZBQOSA-N 369.431 2.794 0 50 FFAA O=C(c1cnc(C2CC2)nc1O)N1CCC([C@H](O)c2cccs2)CC1 1506397058 LXXQRKPPRKUJDG-HNNXBMFYSA-N 359.451 2.707 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(OC)c(F)c3)C[C@@H]2C(=O)O)c1 220118932 JEOPPXBBMOQUCP-CVEARBPZSA-N 373.380 2.783 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3n[nH]cc3Cl)CC1)OCC2 1704301339 VNSVVAGPKOMDNN-UHFFFAOYSA-N 361.829 2.776 0 50 FFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1147100 MIOGOZYRBJWUGY-NTEUORMPSA-N 365.407 2.693 0 50 FFAA O=C(C1CCCCCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704298421 GQDBYIJNWBCCDY-GHTZIAJQSA-N 359.466 2.864 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCCN1C 11662834 RTGCUCNWPSJHSX-LJQANCHMSA-N 352.482 2.819 0 50 FFAA CN(Cc1ccsc1)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 11821286 JWFUFIPPOREFIF-INIZCTEOSA-N 357.479 2.583 0 50 FFAA CCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1 12752476 LNRKMZDLUFJOMJ-NRFANRHFSA-N 374.481 2.845 0 50 FFAA CCOC(=O)C1(CCOC)CCN(Cc2ccc(C(=O)OC)cc2)CC1 13595253 VFPYAZSRBROSLL-UHFFFAOYSA-N 363.454 2.655 0 50 FFAA COCCN1CCN(Cc2cccc(OCc3ccccc3)c2)CCC1=O 15000372 XGLJKSSRJGMLAS-UHFFFAOYSA-N 368.477 2.946 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1 16623700 PTRBDLNDEULNMU-ZDUSSCGKSA-N 356.463 2.775 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n[nH]1 19838726 KWWOQSOAUDNKIW-GFCCVEGCSA-N 353.348 2.531 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669449 AXMCIBBQRGKCNZ-HRAATJIYSA-N 371.433 2.638 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)cc2sc(=N)[nH]c12 1857713784 NQYVEQQTXGIGBE-UHFFFAOYSA-N 367.478 2.859 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1cccc(Cl)c1 1857720724 HCWAFJKYBQQCPI-JRBPQWBISA-N 360.885 2.959 0 50 FFAA O=C(c1ccc(Cl)o1)N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857722176 DSHLCPITWNJDJH-YJBOKZPZSA-N 367.804 2.500 0 50 FFAA COc1ccc(C2(C(=O)N3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)CCCC2)cc1 1857731972 WGOKGFIZCKVBBC-JZJXAQOMSA-N 371.477 2.505 0 50 FFAA COc1c(C)[nH]ccc1=NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 1875246066 HKQNQKGTHAHTGS-UHFFFAOYSA-N 350.422 2.804 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n(C)n1 123385945 UVGCIGSPQDEQLP-UONOGXRCSA-N 353.344 2.695 0 50 FFAA CNCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 237359980 UIEKPYPHJWAQGY-UHFFFAOYSA-N 370.824 2.979 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCOCC1 238067823 XEUOFGUYUYJKCA-ZIAGYGMSSA-N 353.365 2.551 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cn2ccccc2n1 238120357 IDSNDEMNCOMLCQ-UHFFFAOYSA-N 373.359 2.659 0 50 FFAA CCc1ccc(OC[C@@H](O)COc2ccc(-c3ncn(C)n3)cc2)cc1 242339109 ZEYNUMBXGSTXFX-QGZVFWFLSA-N 353.422 2.863 0 50 FFAA Cc1cccc2[nH]cc(CC(=O)NC3CCN(C[C@@H]4CCOC4)CC3)c12 136920923 HWHAJCGSZITDTG-INIZCTEOSA-N 355.482 2.636 0 50 FFAA Cc1csc(=O)n1CCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C 363350480 YZYHJVAZKLSDLR-INIZCTEOSA-N 373.522 2.731 0 50 FFAA Cc1ccc(OCc2nc(CC(=O)NCC[C@H]3CCNC3)cs2)cc1 262571231 HIOKIWYOEOOJSO-OAHLLOKOSA-N 359.495 2.689 0 50 FFAA Cc1nc2scc(C3CC3)n2c1CN[C@@H](CC1CCOCC1)C(=O)O 901773416 OLZWVWOFSKSVFW-AWEZNQCLSA-N 363.483 2.941 0 50 FFAA COc1cc([C@H](C)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)ccc1F 903114788 HAJAVNDHTDTAQV-WLZDQVHRSA-N 350.478 2.965 0 50 FFAA CO[C@H](C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O)c1ccc(O)cc1 908842959 SYUAOQMOSCDVCT-KDOFPFPSSA-N 357.406 2.829 0 50 FFAA C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2csc(CN)n2)c1 2325800473 JZZBJZFYPVRAPK-JTQLQIEISA-N 374.495 2.836 0 50 FFAA CN(Cc1ccccc1)CC1CCN(C(=O)c2nnc3ccccn23)CC1 2325804420 MIGMKWATFLJDSL-UHFFFAOYSA-N 363.465 2.714 0 50 FFAA Nc1c(C(=O)NC2(CO)Cc3ccccc3C2)cccc1C(F)(F)F 2325841995 LQAIBXCHBHDRTC-UHFFFAOYSA-N 350.340 2.547 0 50 FFAA COc1cccc(NC(=O)[C@H](n2cc([C@H](O)C3CC3)nn2)C(C)(C)C)c1 2325851211 RYKUQKBMOOPOLR-SJORKVTESA-N 358.442 2.956 0 50 FFAA CC(C)[C@H](C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2ncon2)cc1 2325867956 JZOBXEZOCSWIIX-KGLIPLIRSA-N 358.442 2.511 0 50 FFAA O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 754802 FMZDLBFJRDFUBA-UHFFFAOYSA-N 360.435 2.819 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 853927 ZYYOIICFZZJNDB-KBXCAEBGSA-N 374.437 2.824 0 50 FFAA biogenic COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2F)CC1 1178762 NISNANVJKOSXBY-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cc3ccncc3)cc2)n1 2836724 XNODIALETJKANU-UHFFFAOYSA-N 366.446 2.795 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC(OC)(c2ccccc2)CC1 2356155410 FYVJJERLIXARFZ-UHFFFAOYSA-N 368.477 2.949 0 50 FFAA COCCCCN1CCN(Cc2cnc(-c3cccc(C)c3)nc2)CC1 55576197 GEAPEZUYALCHIC-UHFFFAOYSA-N 354.498 2.996 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c(C)s1 246808890 NXBSPPXHUBBCHU-PNPHSEOMSA-N 374.510 2.885 0 50 FFAA CCCOc1cc(C)ccc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 120634809 JLVROWOYIYOBBS-UHFFFAOYSA-N 354.472 2.825 0 50 FFAA CNC(=O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67675345 MTTYFEKJUPGRLG-UHFFFAOYSA-N 361.445 2.959 0 50 FFAA Cn1cc(N)cc1C(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67740709 INYOFIIXTWREFI-UHFFFAOYSA-N 363.465 2.941 0 50 FFAA COc1cc(C)c(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1OC 152206273 CTHAYWCSUQYJTJ-OAHLLOKOSA-N 370.453 2.543 0 50 FFAA CC(=O)N1CC[C@@H](NC(=O)CCc2nnc(C(C)C)o2)c2ccccc21 366953845 HBEXGNSBVJNVBS-OAHLLOKOSA-N 356.426 2.740 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2ncccc2Cl)C1 72424595 PAYDAXVCYNWJGD-CQSZACIVSA-N 360.893 2.843 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc(-n2ccnc2)cc1 77342721 YLQFHIAKCJNYDQ-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCN1CCCC1=O 77455191 LJUVFMPNTHPSMZ-INIZCTEOSA-N 368.474 2.690 0 50 FFAA NC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)c2cccnc2)c1 262604254 AXOKMWQWYQEGMA-YJBOKZPZSA-N 352.438 2.581 0 50 FFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(=O)n(-c2ccccc2)n1 128748541 WNVFQQHHTXVMFH-UHFFFAOYSA-N 357.373 2.875 0 50 FFAA Clc1ccccc1[C@H](CN[C@@H]1CCN2CCC[C@H]2C1)N1CCOCC1 242191382 XFCFIISPYICRJF-UWVAXJGDSA-N 363.933 2.930 0 50 FFAA Cc1ccc([C@H]2CCCN2C(=O)c2nnn(C3CCNCC3)c2C)s1 237665095 LQTPXSMJSODBQJ-OAHLLOKOSA-N 359.499 2.858 0 50 FFAA CCN1C[C@@]2(CCCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CCC1=O 77488893 MPGGCOPWTDHGQA-LJQANCHMSA-N 364.511 2.549 0 50 FFAA Cc1cc(=O)cc(C(=O)NCc2c(C)nn(-c3ccc(F)cc3)c2C)o1 215775848 CDFNFMHIUROQDB-UHFFFAOYSA-N 355.369 2.820 0 50 FFAA CC(=O)N1CCc2c(nc(C)nc2NCCc2nc3ccccc3s2)C1 71760381 KCOSLCXEOUUHSO-UHFFFAOYSA-N 367.478 2.954 0 50 FFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1ccc(C)s1)CC2 72164772 RCAJTUZPSRQQQE-UHFFFAOYSA-N 371.510 2.683 0 50 FFAA Cc1nc(C2CCN(C(=O)c3ccc4scnc4c3)CC2)cc(=O)[nH]1 82121640 QKKFBBLGPITLHE-UHFFFAOYSA-N 354.435 2.708 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 133024052 XOIDTLDZTBOCSC-LBPRGKRZSA-N 368.437 2.672 0 50 FFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1 320945097 FHLHXVQPPZMFIV-GFCCVEGCSA-N 361.847 2.618 0 50 FFAA C[C@H](CNC(=O)N(Cc1ccc2c(c1)OCO2)C1CC1)Oc1cccnc1 426719850 KJYLTWCHCNGNRP-CQSZACIVSA-N 369.421 2.952 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)N2CC(c3ccccn3)C2)n1 426412542 ZSMQIPOUADZHSN-UHFFFAOYSA-N 351.332 2.508 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCC(c2ccccc2)CC1 426361149 JFCJWOCRJKNERF-LJQANCHMSA-N 352.482 2.756 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 179365724 ZJVUSVOTOKKCTM-DLBZAZTESA-N 353.470 2.691 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(C(=O)c3cccc(F)c3)C[C@H]21 95524334 QSRSEAKXBDCSIO-FOIQADDNSA-N 371.364 2.537 0 50 FFAA O=C(c1ccc(-n2cnnc2)nc1)N(Cc1ccsc1)C[C@@H]1CCCO1 97402336 JZJOVDFPRBTPBF-INIZCTEOSA-N 369.450 2.545 0 50 FFAA Cc1c(NC(=O)NCC2(Cn3cccn3)CC2)cccc1-c1nncn1C 426444469 HUSSIRAYXACOIQ-UHFFFAOYSA-N 365.441 2.589 0 50 FFAA CN1CCC[C@]2(CCN(C3CCN(c4ccc(F)c(F)c4)CC3)C2)C1=O 91391098 LVXVVJOSCZMMLL-HXUWFJFHSA-N 363.452 2.878 0 50 FFAA CCOc1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95519180 YAYMDCRCUARTQH-SFHVURJKSA-N 370.497 2.863 0 50 FFAA Cc1ocnc1C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 97594794 NFEWQYNUQJJZHQ-UHFFFAOYSA-N 353.344 2.960 0 50 FFAA O[C@H]1C[C@@H](O)C12CCN(Cc1cnc(-c3ccc(Cl)cc3)nc1)CC2 91931391 QNPJOYGOBOGYHN-CALCHBBNSA-N 359.857 2.505 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@@H]1CC(=O)N(Cc2cccnc2)C1 95521841 ZZJCIKVDGWVHNS-OAHLLOKOSA-N 369.490 2.687 0 50 FFAA O=C(NCCc1noc(CO)n1)Nc1ccc(Cl)cc1C(F)(F)F 95500333 NIJKZCNKWOSNFK-UHFFFAOYSA-N 364.711 2.598 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 95499394 QNDBLIRBDVVTML-MRXNPFEDSA-N 357.454 2.869 0 50 FFAA COc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 239121316 JSIHZHKCOSRVTO-HCFJGQMDSA-N 366.211 2.594 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCCC[C@@H]1CCn1ccnc1 91574123 OFYMBVVYXDRSDY-QGZVFWFLSA-N 350.426 2.753 0 50 FFAA C[C@H](C(=O)Oc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 244852722 UXMMFRICWNOZIQ-FAENHSFSSA-N 371.820 2.687 0 50 FFAA Cc1cc(O)nc(S[C@@H](C)C(=O)NCC2(COc3ccccc3)CC2)n1 253537040 VCFUEULFXNBMNK-AWEZNQCLSA-N 373.478 2.947 0 50 FFAA Cc1cc(O)c2cccc(C(=O)N3CCCC[C@@H]3CN3CCOCC3)c2n1 253537110 XTCQEKMRTQVNAY-MRXNPFEDSA-N 369.465 2.576 0 50 FFAA O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252548768 QKMZSNAAOHICJL-BLWXERESSA-N 370.840 2.782 0 50 FFAA CN(C)c1nc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cs1 252510109 ZBLUIKHEBOZXPD-MRXNPFEDSA-N 372.494 2.520 0 50 FFAA NCC1(CC(=O)NCc2ccc(OCC(F)(F)F)nc2)CCCCC1 184223193 ADILLYBHTFDLKS-UHFFFAOYSA-N 359.392 2.938 0 50 FFAA Cc1ccc2nc(CN3CCN(c4ccccc4F)CC3)nc(N)c2c1 299793804 ISIJQQSJMQAQCB-UHFFFAOYSA-N 351.429 2.982 0 50 FFAA CCn1cc(CNC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)n1 534649434 LBDYLHOPWWOXDF-UHFFFAOYSA-N 354.454 2.735 0 50 FFAA O=C([C@H]1CCCN(c2ncccn2)C1)N1CCCC[C@H]1c1cccnc1 263585867 NJHDXLOEZOSKDW-ROUUACIJSA-N 351.454 2.842 0 50 FFAA biogenic Cc1ccc2ncccc2c1CNC(=O)CC[C@@H](C)N1CCN(C)CC1 299791223 CSKVEABFAXYJLX-QGZVFWFLSA-N 354.498 2.576 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCC(=O)NC[C@@H]3C)cn2)c1 299796415 NRXHZSOBYXYWDQ-ZDUSSCGKSA-N 370.409 2.625 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N[C@H]1CCNC1=O 299787122 RUYXRSNAQPEBJU-SFHVURJKSA-N 353.422 2.708 0 50 FFAA Cc1nn(C)c(C)c1CN(CCO)C(=O)c1cccc(-c2ccccn2)c1 299761718 YQORPLQBYLURQU-UHFFFAOYSA-N 364.449 2.734 0 50 FFAA CNc1ncccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 299773546 DCZGDVCLUCJBGP-UHFFFAOYSA-N 360.408 2.796 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 824596748 QMWDBPWBRUPMRP-CQSZACIVSA-N 367.409 2.694 0 50 FFAA COc1cc(C2(C(=O)N3CCO[C@H](CC(=O)O)C3)CCCC2)ccc1C 269023301 JHFZZXYBAAECDI-MRXNPFEDSA-N 361.438 2.518 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 670448151 JPQCEDKPIRDIDA-OAHLLOKOSA-N 374.510 2.574 0 50 FFAA CN(Cc1nc(O)c2sccc2n1)C(=O)[C@H]1CC[C@H](N)c2ccccc21 1875287345 GJHIGKDCHQBZOM-KBPBESRZSA-N 368.462 2.933 0 50 FFAA N[C@H](C(=O)NC[C@@H]1CCCc2nccn21)c1ccccc1C(F)(F)F 1875292865 VINCLCLEJYLSRW-NHYWBVRUSA-N 352.360 2.596 0 50 FFAA O=C(NC[C@]1(F)C[C@@H](C(=O)O)C1)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320683 UYAWKQXHDCKOLI-AVCCJPFPSA-N 360.307 2.911 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)c1cc(=O)c(OC)c[nH]1)c1nc2ccccc2[nH]1 888089205 OCBKUWHXMXUWPG-PIGZYNQJSA-N 354.410 2.777 0 50 FFAA Cc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3ccc(C)o3)C2)on1 1565528788 FWJDCJIPPQAYBV-APWZRJJASA-N 357.454 2.940 0 50 FFAA Cn1cc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2NC(=O)CC(C)(C)C)cn1 1489913192 WNZFAXMCOQWABP-JKSUJKDBSA-N 362.518 2.703 0 50 FFAA CCOC(=O)c1nc(SC)nc2c1CN(C(=O)OC(C)(C)C)CC2 91692445 PFIFWKMQZMQGAF-UHFFFAOYSA-N 353.444 2.668 0 50 FFAA in-vitro COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2ccc(C)cc2=O)c1 170615410 SNYOAMBRJYUWME-KRWDZBQOSA-N 356.422 2.538 0 50 FFAA COCc1c(C(=O)NCc2nnc(S)n2C2CC2)oc2ccccc12 170621490 VQNLOQCYWBXDLS-UHFFFAOYSA-N 358.423 2.724 0 50 FFAA C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](OCc2ccncc2)C1 281118285 XGTOEXPGGABJCX-CZUORRHYSA-N 361.392 2.978 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(-c2ncn[nH]2)c1 191471301 ULTRJAUKHMFRDQ-CQSZACIVSA-N 365.412 2.962 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C[C@H]1CO 191857586 SVPUWAILNGKRHS-WBVHZDCISA-N 365.433 2.614 0 50 FFAA O=C(O)c1c(NCCCN2CCCC[C@H]2CO)noc1-c1ccccc1 1704335753 FBRXTHDZHPCDSU-HNNXBMFYSA-N 359.426 2.689 0 50 FFAA COc1ccc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c(O)c1 213430579 AKDPENXBHZIEHN-SJORKVTESA-N 355.390 2.650 0 50 FFAA Cc1ccc2nc(CCN(CCN3CCOCC3)Cc3ccco3)[nH]c2c1 1772806005 WXKMQAODXYWQGJ-UHFFFAOYSA-N 368.481 2.841 0 50 FFAA CN1C[C@H](CN2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)CCC1=O 1775977654 LBSXCKRBAPNQFW-LJQANCHMSA-N 357.542 2.970 0 50 FFAA CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 12003011 HWNHBIAHRNCFDU-AWEZNQCLSA-N 359.474 2.656 0 50 FFAA CCNC(=O)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1OC 13679908 UHMLIQDGSQBSOM-UHFFFAOYSA-N 366.483 2.614 0 50 FFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(Cl)c4)C3)nn2)n1 169778118 CQAREPKEHVYKBJ-CYBMUJFWSA-N 372.816 2.631 0 50 FFAA CCNC(=O)c1ccc(-n2ccnc2-c2cnn3cccnc23)cc1Cl 1857666867 CTOOHQDGGLHWLZ-UHFFFAOYSA-N 366.812 2.985 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)c2nc(Cl)n(C)n2)c2cccnc2)c1 1857682409 KDOIDYPFVFLRTQ-OAHLLOKOSA-N 355.829 3.000 0 50 FFAA CN1CCN(C)[C@@H](Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)C1 1857684914 JZAAOMACDBTFGM-MRXNPFEDSA-N 355.873 2.998 0 50 FFAA COc1ccc(C(=O)NC[C@H]2CCCO2)cc1Oc1ccc(CN)cc1F 1857686071 GUVZANHSISPERC-OAHLLOKOSA-N 374.412 2.994 0 50 FFAA COc1ccc2c(C)c(C(=O)N[C@H]3C[C@H]4CO[C@@H](C(C)C)CN4C3)oc2c1 1857691416 KGWCDVXGIBLCRI-YZVOILCLSA-N 372.465 2.977 0 50 FFAA Cc1ccc(N2CCCN(C(=O)c3nc(C(C)C)ncc3Cl)CC2)nn1 109633015 SBIDDBZYUIJFEO-UHFFFAOYSA-N 374.876 2.704 0 50 FFAA Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 127624052 ZIWSIWGPLFMUEE-AWEZNQCLSA-N 359.857 2.901 0 50 FFAA Cn1cccc1[C@@H]1COCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 164027200 XUZWEUZIMWDOCR-APWZRJJASA-N 367.449 2.516 0 50 FFAA Cn1cc(-c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC2CC2)ccc1=O 910456443 OPLPVPGIHLOELR-RDJZCZTQSA-N 353.470 2.823 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1ccc(C(=O)O)cc1F)C[C@H]2O 846233762 XRCZOYVPLAXFRJ-OAHLLOKOSA-N 361.369 2.590 0 50 FFAA CCN1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 20608836 KQTCFOMIMLHAEB-UHFFFAOYSA-N 360.683 2.679 0 50 FFAA CCC[C@@]1(CO)CN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC[C@H]1O 2100483598 HBPIRJDIMWOORX-KNQAVFIVSA-N 369.461 2.856 0 50 FFAA COCCCc1cccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 2325784244 MDYNKEUDPZUKPM-UHFFFAOYSA-N 367.493 2.687 0 50 FFAA O=C(O)c1cnc(C2CCN(C(=O)[C@@H]3[C@H]4CC(F)(F)C[C@H]43)CC2)s1 2325787251 NCXXCIKFYNVYNW-IAZYJMLFSA-N 356.394 2.839 0 50 FFAA CCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C 942660 KMIGQOMROUZLBU-UHFFFAOYSA-N 370.471 2.690 0 50 FFAA CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccnc1 976941 KFGVSHWYVUGBQF-UHFFFAOYSA-N 353.451 2.769 0 50 FFAA CC(C)(C)C(=O)N[C@@H](n1c(=O)cc[nH]c1=S)C(Cl)(Cl)Cl 1469975 BGXXDKOGURBBSP-ZETCQYMHSA-N 358.678 2.937 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1 2356144064 IIHCJVBSZUFELG-NRFANRHFSA-N 365.433 2.692 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC[C@@]13CCCN(C1CC1)C3=O)OCCO2 2356146966 BYROUJICNJVYPZ-OAQYLSRUSA-N 370.449 2.526 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cccc3cc[nH]c23)CC[C@H]1O 2356166437 XSMSURVVKJWXJX-OXQOHEQNSA-N 358.438 2.882 0 50 FFAA CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1 3784715 IRNJSRAGRIZIHD-QGZVFWFLSA-N 370.430 2.800 0 50 FFAA investigational NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCC2 4150411 JTUBJJWMUUKQGL-QWRGUYRKSA-N 364.467 2.945 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 6715355 NPRFPORHLJRTSB-VKYMVXLJSA-N 360.429 2.611 0 50 FFAA CCc1ccc(OCC(=O)N2CCC(CN3CCCCC3=O)CC2)cc1 118676480 JCRHVPLNJGZAQK-UHFFFAOYSA-N 358.482 2.879 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2CCC3(CCNC3)CC2)CCN1Cc1ccccc1 417825826 BLESRUYNAMMWKZ-UYAOXDASSA-N 370.541 2.825 0 50 FFAA CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN2CC[C@@H](O)C2)cc1 114562954 YZZFUGVUVKTVOH-WOJBJXKFSA-N 355.478 2.819 0 50 FFAA CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(C(C)=O)ccc1OCC 100218193 KGYDGECQNLZIHY-RQZCQDPDSA-N 363.435 2.768 0 50 FFAA CCCN(C)Cc1cc2n(n1)CCCN([C@H](C)C(=O)Nc1ccccc1)C2 106994897 NINIAKPSTMUYKI-QGZVFWFLSA-N 369.513 2.958 0 50 FFAA Cc1ccc2c(CC(=O)N3CCC[C@H](c4cc(=O)[nH]cn4)C3)coc2c1 23214622 VORIYJWHIMQMGA-AWEZNQCLSA-N 351.406 2.773 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)N[C@H]1COC2(CCCC2)C1 20539459 PJPHWWASMJQYMS-OAHLLOKOSA-N 356.426 2.672 0 50 FFAA O=C1C[C@@H](c2ccc3c(c2)OC(F)(F)O3)c2c(nc3sccn23)CN1 65531080 CAYPFLIKYIGFBP-VIFPVBQESA-N 363.345 2.869 0 50 FFAA Cc1ccc2cccc(OCCn3ccc4nc(O)c(C#N)cc4c3=O)c2n1 67714598 OSQNOBMCWVPIDS-UHFFFAOYSA-N 372.384 2.909 0 50 FFAA CN(C(=O)c1cc(COc2cccc3cccnc23)on1)[C@@H]1CCOC1 12431292 GUPRDXDYWGVNAM-CQSZACIVSA-N 353.378 2.663 0 50 FFAA CC(C)c1cc(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)nc(N)n1 1506402843 KQXLMXRSFQIETB-ZDUSSCGKSA-N 357.433 2.578 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCC[C@@H](c2ccn[nH]2)C1 67896048 ZYRZXOQDGUTKHA-GFCCVEGCSA-N 356.817 2.664 0 50 FFAA CCCCc1nc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c[nH]1 20997094 KYVUELLBDCAXGB-NRFANRHFSA-N 370.541 2.864 0 50 FFAA C[C@H](C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1)n1ccnc1 67850047 ZMZAIZVZOIBOEM-LLVKDONJSA-N 358.348 2.962 0 50 FFAA CCc1nn(C)cc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 328591900 QRNMPHMCDKEYCW-UHFFFAOYSA-N 351.454 2.954 0 50 FFAA COC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 34194545 KHCZTGSAKNZBOV-CQSZACIVSA-N 351.399 2.576 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2nc3ccccc3s2)CC1 328631768 KWCXKYCEHUKEHL-CQSZACIVSA-N 368.510 3.159 0 50 FFAA COc1ccccc1[C@H]1CCC[C@@H](C)N1CC1(O)CCS(=O)(=O)CC1 329079300 QUJQLAOAXHZSJU-NVXWUHKLSA-N 367.511 2.550 0 50 FFAA Cc1cc(N2CCN(c3nsc4ccccc34)CC2)n2nccc2n1 72456613 GNDNACZBMAUEBA-UHFFFAOYSA-N 350.451 2.974 0 50 FFAA O=C(Cc1ccccc1O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77518024 XTCKVOLVLIZCNX-NRFANRHFSA-N 356.466 2.576 0 50 FFAA COc1nc2c(cc1CNc1cc(C#N)ccn1)C(=O)N(C1CCCC1)C2 71714884 REVRSWVHJFMFJG-UHFFFAOYSA-N 363.421 2.867 0 50 FFAA CN(Cc1nc2ccccc2s1)C(=O)CCc1cc2n(n1)CCCNC2 72428801 KCPFBUKPHZINGA-UHFFFAOYSA-N 369.494 2.577 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(C(=O)CC(C)C)C3)CCC2=O)cn1 77470940 UXRZCYVNRJYRPS-HXUWFJFHSA-N 358.486 2.562 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)CCc3nc(-c4ccccc4)no3)C2)n1 77303201 PSWISVOKZUPBAY-UHFFFAOYSA-N 351.410 2.566 0 50 FFAA CCc1nc(C)sc1C(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 72128427 UBHQYNUIWSVKHH-AWEZNQCLSA-N 357.479 2.818 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)Cc1cnc(N2CCOCC2)s1 72119521 KEXCSAHFSCDFTD-UHFFFAOYSA-N 371.466 2.662 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(F)cc3nc[nH]c23)C1 368414224 ZPLMRBOEPCMWPC-ZDUSSCGKSA-N 358.373 2.738 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCC[C@@H]4C)nc3c(=O)n2C)c(C)o1 72430003 WHWKZSBWFXMPIT-NSHDSACASA-N 354.410 2.534 0 50 FFAA O=S(=O)(N[C@H]1CCCN(Cc2ccccn2)C1)c1cc2ccccc2o1 72145776 SHGRTZYUJPUYHV-KRWDZBQOSA-N 371.462 2.771 0 50 FFAA CCC(CC)c1nnc(NC(=O)N2C[C@H](C)OC3(CCOCC3)C2)s1 370508753 QLAMXSQSRASMEU-LBPRGKRZSA-N 368.503 3.244 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)N1CCNC(=O)[C@H]1c1ccccc1)C(F)(F)F 334103568 NXOIOPDNRGGILF-IACUBPJLSA-N 357.376 2.846 0 50 FFAA CC(C)SCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 72144203 AYHDUHGHRMCHTL-LJQANCHMSA-N 361.555 2.941 0 50 FFAA O=C(c1ccc2nonc2c1)N1CCC(N2CCc3ccccc3C2)CC1 72468960 KNTUEMPUOZJPGF-UHFFFAOYSA-N 362.433 2.886 0 50 FFAA Cn1c(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)cccc1=O 262730074 DBBYPDLVLZNJMY-OAHLLOKOSA-N 356.422 2.629 0 50 FFAA CNC(=O)c1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)o1 82134883 BVDJONSZLFGWIA-UHFFFAOYSA-N 374.400 2.884 0 50 FFAA NCCOc1ccc(F)cc1C(=O)NCC1(N2CCCCC2)CCCC1 426474263 MEWKYWFFXWXBFM-UHFFFAOYSA-N 363.477 2.692 0 50 FFAA Cn1ccnc1CNC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 426652922 LZJTZNYYPHXHLZ-CQSZACIVSA-N 360.845 2.878 0 50 FFAA COc1ccc(C2(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)CCCC2)cc1OC 91808481 ZYGAFIQRUQSLJF-SJORKVTESA-N 358.482 2.711 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(C/C=C/c2ccccc2)C1 91997847 MQFWNEMBTSEBFN-NTPDMAOXSA-N 362.481 2.953 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)Cn1ccnc1-c1ccccc1 91769278 CPOZRDDVJDEZGT-UHFFFAOYSA-N 374.404 2.654 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 237435920 IRDAJTAXLNNSLZ-PSASIEDQSA-N 356.797 2.859 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)o1 91425792 KXUIEJYBGBUGIZ-INIZCTEOSA-N 365.437 2.951 0 50 FFAA COc1ccc(NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1OC 91574209 ZJUFZGULJMDFGH-UHFFFAOYSA-N 361.442 2.570 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCCN(Cc3cccnc3)CC2)cc1C 95359154 ATSJTNCQDPDBIV-HXUWFJFHSA-N 369.465 2.732 0 50 FFAA CCc1nnc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)o1 91858040 MNCZAQYQEQSWEH-KRWDZBQOSA-N 368.481 2.860 0 50 FFAA COCCN1CCN(C(=O)Nc2ccccc2Oc2cccnc2)CC1 95506013 SITZJCOSHPYIII-UHFFFAOYSA-N 356.426 2.670 0 50 FFAA CN(CCN(C)C1CCCC1)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 244678568 IFZGXYKLBUNOJJ-UHFFFAOYSA-N 367.877 2.783 0 50 FFAA CC(C)CNC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245256506 QCZRWLNRULVEFB-SHTZXODSSA-N 357.454 2.681 0 50 FFAA Cc1ccccc1[C@@H]1CCCN(C(=O)NCCN2CCC(CO)CC2)C1 534638502 PVEXBMLFHMSFRA-LJQANCHMSA-N 359.514 2.588 0 50 FFAA CN1CCN(C2(CNC(=O)N(C)C/C=C/c3ccccc3)CCCC2)CC1 534640820 YXPJODGKJKKUHV-DHZHZOJOSA-N 370.541 2.901 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)Nc1cccc2[nH]nnc12 299777567 LAEFSBYNYUCPPR-INIZCTEOSA-N 364.453 2.992 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NCC(F)(F)F)CCCCC2)cc1 299791077 CXPNNRLBUAKCMI-UHFFFAOYSA-N 363.401 2.971 0 50 FFAA COCCNC(=O)c1ccc(NC(=O)NC2Cc3ccccc3C2)c(C)c1 299797415 NRRHYTADMQMIRZ-UHFFFAOYSA-N 367.449 2.660 0 50 FFAA COc1ccc(CCN(Cc2ccccc2C)C(=O)[C@@H]2CNC(=O)C2)cc1 824664762 QUWSLZWCZQYWQG-IBGZPJMESA-N 366.461 2.711 0 50 FFAA Cn1c(Cc2ccccc2)cnc1[C@H]1NC(=O)[C@H]2c3ccccc3CCN12 1875290365 XQKMOWYFVPUSGK-CTNGQTDRSA-N 358.445 2.739 0 50 FFAA Cn1cccc1-c1cc(C(=O)NC2(c3ccccc3)CCOCC2)n[nH]1 952987994 PNPNJMPYIGOYPN-UHFFFAOYSA-N 350.422 2.851 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3noc4c3CCCC4)C2)ccn1 886050418 NKIHLXSMDPIJCL-KRWDZBQOSA-N 356.470 2.663 0 50 FFAA Cc1nnc(N2CCN(C(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)s1 1336645930 FMBDXJQESFMQKI-JKSUJKDBSA-N 360.458 2.828 0 50 FFAA Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc2n(n1)C[C@@H](C)NC2 1353237119 JGXCJHHAFAZDHT-CYBMUJFWSA-N 364.409 2.518 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 275406239 BILWZHKSEBQDMG-OAHLLOKOSA-N 369.469 2.822 0 50 FFAA CN(C(=O)CCc1ccnn1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 190440076 ULAVAYVEFQKAAP-NVXWUHKLSA-N 368.264 2.776 0 50 FFAA Cc1cc(C(=O)NC2CCN(C(=O)c3coc(CC4CC4)n3)CC2)c(C)o1 193597607 ORNJWCWLZDHBJW-UHFFFAOYSA-N 371.437 2.872 0 50 FFAA O=C(NCc1nccs1)N1CCN(c2ncc(Cl)cc2Cl)CC1 194542765 NKMXUSCARKJSOS-UHFFFAOYSA-N 372.281 2.877 0 50 FFAA COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cn1 195456438 YXCQTWZFKJKBMB-OAHLLOKOSA-N 368.842 2.506 0 50 FFAA O=C(NS(=O)(=O)c1ccc(F)c2ncccc12)[C@H]1Cc2ccc(F)cc21 796666020 LYLRKSGUULGIHO-AWEZNQCLSA-N 374.368 2.658 0 50 FFAA CCc1cc(NCCC(=O)Nc2ccc(C)cc2)nc(N2CCOCC2)n1 1529167959 SFYOBIDHRUQRLJ-UHFFFAOYSA-N 369.469 2.625 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1 1704336851 SGDYQDOCGVNOER-UHFFFAOYSA-N 358.486 2.774 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)sc1-c1ccccc1 1704313889 MZYUMXHLJKMBHE-CVEARBPZSA-N 370.474 2.653 0 50 FFAA C[C@H](C(=O)N1C[C@H]2[C@@H](C1)C2(CO)CO)c1ccc(-c2ccccc2)c(F)c1 1772808640 WWTBCPFRRFDHIZ-ZOCIIQOWSA-N 369.436 2.655 0 50 FFAA O=C(O)c1c(N2CCCN(C(=O)C3CCC3)CC2)noc1-c1ccccc1 1772701245 MRHHEHHYCIXUND-UHFFFAOYSA-N 369.421 2.879 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)cc1 12308086 CAWDGKINJAZXDK-FQEVSTJZSA-N 354.450 2.845 0 50 FFAA CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 14981624 GKXMNDNVBNTFQN-NRFANRHFSA-N 374.431 2.950 0 50 FFAA C[C@H]1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[C@@H](C)C2)C1 16246875 MTWNAIPUXJTKCG-TXEJJXNPSA-N 352.372 2.774 0 50 FFAA Cc1ccc(CN2CCN(C(=O)COc3ccc(F)cc3F)CC2)cc1 16580648 GSENWEDTVCNXPZ-UHFFFAOYSA-N 360.404 2.996 0 50 FFAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 16991488 UPTAPIKFKZGAGM-HUAKYIMESA-N 350.499 2.683 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@](O)(C(F)(F)F)C2)ncn1 328639479 PODQKWHSNFONGD-RCBQFDQVSA-N 374.407 2.596 0 50 FFAA O=C(C1=CCCCCC1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328616260 BNCHQSOMZCIPBM-GOSISDBHSA-N 356.470 2.867 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)CCCOc2cccc(Br)c2)C1 237947356 VICSGMIURUZVOO-LLVKDONJSA-N 356.216 2.541 0 50 FFAA Cc1ccc(-c2nc(C(=O)N3CCC[C@H](Cn4ccnn4)C3)cs2)o1 126975302 YKKNZVWTVDTCHI-ZDUSSCGKSA-N 357.439 2.855 0 50 FFAA NC[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)C1 333692891 PXAPJJOAENSFIF-MGPQQGTHSA-N 363.424 2.504 0 50 FFAA CCCCNC(=O)C1CCN(C(=O)c2ccncc2Br)CC1 130517792 GEGCPSGGVBNKEJ-UHFFFAOYSA-N 368.275 2.613 0 50 FFAA Cc1[nH]nc2ncc(C(=O)N3CCNC[C@@H]3c3cccc(Cl)c3)cc12 262103214 VDDQHPJNBOVMHR-MRXNPFEDSA-N 355.829 2.706 0 50 FFAA Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1cc(N2CCCC2)ncn1 378004745 DMBTUDNCPLCWFW-HOTGVXAUSA-N 374.464 2.706 0 50 FFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(Br)c2)C1 379251977 CNSDBENDYXUZTF-QWRGUYRKSA-N 351.166 2.943 0 50 FFAA CN(CCC(F)F)C(=O)NCc1cn2cccc(Br)c2n1 2325786397 IFMAEHKIGFDTCR-UHFFFAOYSA-N 361.190 2.893 0 50 FFAA CC(C)C1=CC[C@H](CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 2325810831 HSRMYTNIFAAALE-KRWDZBQOSA-N 354.560 2.564 0 50 FFAA CCOc1ccncc1S(=O)(=O)NCc1ccc(C2CC2)c(F)c1 2325855043 FQVAHVINAPTULF-UHFFFAOYSA-N 350.415 2.975 0 50 FFAA Cc1cc(C)cc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c1 1173315 ABLXIZDXVNOSIK-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA COc1cccc(-c2nc(CN3CCC[C@]34CCCNC4=O)c(C)o2)c1 2356140302 CXSMUELFJKAZPW-FQEVSTJZSA-N 355.438 2.903 0 50 FFAA O=C(C[C@@H](NCc1cccnc1)C(=O)O)c1ccc(Br)cc1 4054226 GELPBIQZKAXKIU-CQSZACIVSA-N 363.211 2.660 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 21795025 IFWVANAPEYDWSL-UHFFFAOYSA-N 374.876 2.859 0 50 FFAA Cc1ncsc1CCN(C)C(=O)C(C)(C)NC(=O)c1cccs1 55307443 OLWOGLMYRMOWLM-UHFFFAOYSA-N 351.497 2.723 0 50 FFAA CC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100986444 ZLZMHNGIPXOUOI-LUVWLHFXSA-N 355.434 2.921 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1CCCN(Cc2ccco2)C1 55358255 DHDKKHASFZUDDI-QGZVFWFLSA-N 370.449 2.969 0 50 FFAA COc1ccc2c(c1)c(C(=O)N1CC[C@@]3(CCCN(C)C3=O)C1)c(C)n2C 67514089 RGFQLVCJEHWGDR-NRFANRHFSA-N 369.465 2.580 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3ccc(-n4ccnc4)cc3)n1)CCNC2 20539065 BBAAELVZLZUPSU-UHFFFAOYSA-N 358.405 2.938 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN(C)Cc3ccon3)C2=O)cc1 67726238 FFTGZZBUIXUKGV-NRFANRHFSA-N 371.481 2.784 0 50 FFAA O=C(NCc1cccnc1N1CCc2ccccc2C1)c1n[nH]c2c1CCC2 67803286 WCMALQFJZYPIEI-UHFFFAOYSA-N 373.460 2.786 0 50 FFAA CC(=O)NCc1ccc(N2CCN(Cc3cccc4[nH]ccc34)CC2)nc1 67754401 WZVRNQLVEYXWCJ-UHFFFAOYSA-N 363.465 2.521 0 50 FFAA COC(=O)c1cc([C@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)ccc1O 65488493 CWFZXDHEKXQYRI-LLVKDONJSA-N 357.410 2.684 0 50 FFAA Cn1c(=O)oc2cc(S(=O)(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)ccc21 229722828 LNFJNARZSVRTLF-DJCROIMJSA-N 364.467 2.625 0 50 FFAA NCCCCCC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67852283 BKITYGSLLQDXNT-UHFFFAOYSA-N 355.438 2.694 0 50 FFAA COCCN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C 252516606 VAVVTFSAIJFJLS-ZWKOTPCHSA-N 369.550 2.676 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NC[C@H](CO)C(C)C)c1 330675573 JKOHVXRDZKATNR-MOPGFXCFSA-N 360.498 2.679 0 50 FFAA CCc1cc(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1 72129252 HMLGDQACNPTMDB-INIZCTEOSA-N 357.841 2.828 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccccc2C)CC1 77298536 COGOJVWRHSBQDK-MSOLQXFVSA-N 358.482 2.917 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(CC(F)(F)F)CC1 328625669 DKDQHBPYVNRMQC-XJKSGUPXSA-N 360.424 2.597 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C[C@H](O)c2ccc(F)cc2)n1C 328628672 HMDBBZSMDIKIHG-MJGOQNOKSA-N 359.445 2.784 0 50 FFAA CCCN1CC[C@H]2N(C(=O)c3ccc4scnc4c3)CCC[C@]2(CO)C1 72171114 GZRYTGKNWTYORD-UYAOXDASSA-N 373.522 2.995 0 50 FFAA CC(=O)c1ccc(Br)cc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 154134795 QXFFVPXSWJDDKM-GHMZBOCLSA-N 370.243 2.666 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1C[C@H]1c1c(F)cccc1F 363539767 OQNCFHORAUTQAD-ZIAGYGMSSA-N 354.360 2.965 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)NCCc1noc([C@H]2CCCO2)n1 215185296 WDDDCXYRXGMFLR-CQSZACIVSA-N 365.817 2.621 0 50 FFAA O=C1COc2cc(N[C@H]3CCN(c4c(F)cccc4F)C3=O)ccc2N1 124290074 KBMXEMHXCPUTEG-AWEZNQCLSA-N 359.332 2.513 0 50 FFAA CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccn3n2)C1 367387768 IEXVPUIPOYPGAY-GFCCVEGCSA-N 358.833 2.619 0 50 FFAA O=C([C@@H]1CCN(C2CCCCC2)C1)N1CCC(c2nncn2C2CC2)CC1 330082792 BAALQKVVUSLHBE-QGZVFWFLSA-N 371.529 2.974 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CCS[C@@H]2COCC[C@@H]21 124985483 ZHMYUESSABHURO-DZGCQCFKSA-N 361.492 2.508 0 50 FFAA Cc1ccccc1[C@H](CNC(=O)c1ccc(=O)n(C)c1)N1CCC(C)CC1 215512227 SBYDFRONYHNBIZ-FQEVSTJZSA-N 367.493 2.897 0 50 FFAA C[C@@H](NC(=O)c1ccc2nccnc2n1)c1ccc(NC(=O)C2CC2)cc1 241644483 PRBXTCQZEFYHBX-GFCCVEGCSA-N 361.405 2.864 0 50 FFAA Cn1ncc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1Cc1ccccc1 445249170 NAWQXIDVSXWSDQ-QGZVFWFLSA-N 374.444 2.867 0 50 FFAA Cc1nnc2ccc(-c3noc([C@H]4CCCN(C(=O)C(C)(C)C)C4)n3)cn12 333240264 WGBKTTXFJWDQAR-AWEZNQCLSA-N 368.441 2.840 0 50 FFAA O=C(Nc1ncc(C2CCOCC2)s1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 333444415 XCQYIAHMIPOXIL-BFHYXJOUSA-N 351.472 2.662 0 50 FFAA COc1ccc(-c2ncc(CN3CCC[C@@]4(C3)CN(C)C(=O)O4)cn2)cc1 72409468 JBMXAUOGTUSBOB-FQEVSTJZSA-N 368.437 2.569 0 50 FFAA CO[C@H]1C[C@@H](CC(=O)O)N(C(=O)COc2ccccc2-c2ccccc2)C1 263163417 VQLDLUGLOHVUPD-IRXDYDNUSA-N 369.417 2.823 0 50 FFAA Cc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2c1CCCC2 219296660 ONROCKMRFCXCPT-UHFFFAOYSA-N 368.481 2.785 0 50 FFAA CCc1noc(CN2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)n1 77524270 SXTPRNVGQKFXET-UHFFFAOYSA-N 370.453 2.662 0 50 FFAA O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@@H]1CN1CCOCC1 174425225 WLSDYRRCRFBDPP-QGZVFWFLSA-N 367.449 2.811 0 50 FFAA CC1(C)C[C@]1(C(=O)NC1CCN(c2cnccn2)CC1)c1ccccc1 426724059 WFLQMNKGWDYYKO-OAQYLSRUSA-N 350.466 2.930 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1nc(-c2ccccc2)[nH]c1C 82160789 ZWNVBIAMMYFALQ-INIZCTEOSA-N 354.454 2.858 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1cnc2c(c1)CCC2 222720410 RTQVWCCOWFXAFW-RTBURBONSA-N 356.397 2.676 0 50 FFAA Cc1ncccc1C(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 19836980 CTPGPTQCNGTUEU-KRWDZBQOSA-N 351.454 2.559 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)N[C@H]2COC3(CCCCC3)C2)n1 426551328 PUANCOYNMJLDOH-CQSZACIVSA-N 350.463 2.901 0 50 FFAA COc1cc(C)ccc1C(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82134884 GNPWUFCOLNPNQD-UHFFFAOYSA-N 370.497 2.992 0 50 FFAA COCc1nc(NCCc2c[nH]c3ccccc23)cc([C@H]2CCOC2)n1 426622933 LIEFMFJRNMEYKZ-HNNXBMFYSA-N 352.438 3.263 0 50 FFAA CCc1ocnc1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 95508591 NNAXOUAZLKXANG-UHFFFAOYSA-N 365.437 2.897 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C 91793878 YJCIYKZKTLKDMN-UHFFFAOYSA-N 371.485 2.660 0 50 FFAA O=C(NCCSc1ccccn1)c1cnc(-c2cccs2)nc1O 91691396 CXGZZOZXZIUSFB-UHFFFAOYSA-N 358.448 2.828 0 50 FFAA CN(C)Cc1cccc(C(=O)NC2CCN(C3CCSCC3)CC2)c1 97515151 UTYNLPZVUBHYNP-UHFFFAOYSA-N 361.555 2.838 0 50 FFAA CC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1 162587648 ICJGQTDJONMMIN-DOMZBBRYSA-N 360.483 2.937 0 50 FFAA Cc1ccccc1OCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91603630 IATHUFAMTZYOGV-OAQYLSRUSA-N 356.466 2.625 0 50 FFAA CCSc1nc(CC(=O)N2CCC3(CC2)OCCC[C@H]3OC)cs1 95358178 UCKRDIKNTLOVKZ-CQSZACIVSA-N 370.540 2.984 0 50 FFAA COC[C@H](NC(=O)c1cccc(-c2ccc(OC)nc2)c1)c1ccnn1C 426509576 VRSSQAZEJSGILK-KRWDZBQOSA-N 366.421 2.608 0 50 FFAA O=C1CN(C(=O)c2ccnc3ccccc23)CCN1Cc1ccccc1F 91755941 VPBQCVIELNKFOW-UHFFFAOYSA-N 363.392 2.859 0 50 FFAA CCCc1ccc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)o1 91914747 WGGHCIKBHPBTIX-OAHLLOKOSA-N 362.470 2.910 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccn3)n[nH]1)CC2 97425232 GBLSUNQODINMEQ-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA COCCN1CCC(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 91694225 IRSXQACMNRGNPE-UHFFFAOYSA-N 362.489 2.965 0 50 FFAA O=C(N[C@H](CO)Cc1ccc(Cl)cc1)c1cc(-c2ccc(O)cc2)n[nH]1 91289367 JFOITEJVMSGRCL-HNNXBMFYSA-N 371.824 2.769 0 50 FFAA CN(C)c1nccnc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95377170 HFJJWVNYZCWXPJ-INIZCTEOSA-N 363.469 2.566 0 50 FFAA COCCn1cnnc1CN(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 91756109 YZDSLDIJQMSSQR-UHFFFAOYSA-N 357.241 2.812 0 50 FFAA CCn1ccnc1C1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 91848788 GKLDPKLHVJVTMB-UHFFFAOYSA-N 364.449 2.624 0 50 FFAA Cc1ccc(SCCN(C)C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)cc1 240825134 QNDWKMVNQNAYSZ-IYBDPMFKSA-N 373.526 2.893 0 50 FFAA O=C(NC1(CN2CCCCC2)CC1)N1CCC(CCn2cccn2)CC1 534658879 MYCVTMKCYBZYDL-UHFFFAOYSA-N 359.518 2.713 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccccc2C)CN1Cc1ccccc1 32508979 WWFAUUFKBOMGJJ-RTWAWAEBSA-N 351.494 2.864 0 50 FFAA COCCN1CCC(CN(C)C(=O)Nc2cc(C)nn2CC(C)C)CC1 299780848 DNAKGBAHHRSCDG-UHFFFAOYSA-N 365.522 2.670 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Cn3c(C(C)C)nc4ccccc43)C2)n1 299781709 XIFHGDNXVLVCMI-OAHLLOKOSA-N 366.469 2.992 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccccn2)Cc2ccc(-c3cc[nH]n3)s2)N1 828275964 CUJXURNFUHOKTH-HNNXBMFYSA-N 367.478 2.814 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)N(C)C2CCS(=O)(=O)CC2)cc1F 584895830 QWVQHVAZTKFCCV-LBPRGKRZSA-N 372.462 2.504 0 50 FFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cc2ccccc2o1 670439929 SIMMCZIDKPUBOS-QGZVFWFLSA-N 351.406 2.631 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(-c3ccccc3F)o2)Cc2nccn2C1 1875291207 RBTMAYZTHAOSGK-ZDUSSCGKSA-N 355.369 2.999 0 50 FFAA COc1cc(C(=O)NCCc2cnn(-c3ccccc3)n2)ccc1Cl 1875316484 ULPPCEURNAGPRA-UHFFFAOYSA-N 356.813 2.902 0 50 FFAA Cc1ccc([C@@H]2CCC[C@@H]2NC(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)cc1 1875330636 WDLXAQZWHDURIX-WZHKOUSFSA-N 370.493 2.821 0 50 FFAA Cc1[nH]nc2c1C[C@H](NC(=O)/C=C/c1ccc(Br)o1)CC2 1875312931 KTLAJSLETOTIIB-LJJSCBMDSA-N 350.216 2.761 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(NC(=O)c3ccccc3)c2)cn1 1875385638 XXQPDJRFOWJBQB-CLOONOSVSA-N 362.433 2.936 0 50 FFAA CCOc1cccc(CNC(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)c1 1875393790 STPAKUPZEFDZNW-IQGLISFBSA-N 365.499 2.970 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)[C@]23CCCC[C@@H]2C3)CC12CCC2)c1cocn1 1875407916 KBWWHQFAGNYHDT-KKVAFCGZSA-N 357.454 2.756 0 50 FFAA O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(CN2CCCC2)o1 952972141 ZKYYQGUVQWGXMF-MRXNPFEDSA-N 367.449 2.658 0 50 FFAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)nc(C)n1 952987097 JGFZPZBWAWWDPW-SFHVURJKSA-N 355.438 2.794 0 50 FFAA COC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cc(C)c(C)cc1OC 952965418 FEULCDHIOFWQPW-INIZCTEOSA-N 364.467 2.715 0 50 FFAA C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1)[C@H]1CCCc2ccccc21 888101752 SBLXRMBSYZBYQG-MUIFIZLQSA-N 364.511 2.760 0 50 FFAA Cc1cc(S(=O)(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c(C)s1 275340789 RSAQLBUJEXEVFW-LBPRGKRZSA-N 371.484 2.634 0 50 FFAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)C1CN(CC(F)(F)F)C1 170600244 MXUXGNDEPVXZSE-UHFFFAOYSA-N 371.334 2.634 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)[C@@H]1CCC[C@H](C(F)(F)F)C1 408492998 FRYUYLCZHNYZLX-RXGFPQBGSA-N 353.406 2.990 0 50 FFAA COc1ccc(COCCCC(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)cc1 408518108 UPRLSHJASGGTQK-INIZCTEOSA-N 374.441 2.570 0 50 FFAA Cc1nc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)nn1-c1ccccc1 753285188 ZSINHSTUIBSLAT-QFIPXVFZSA-N 374.444 2.890 0 50 FFAA CC(=O)N1CC(c2nc(-c3cccc(OCc4cccnc4)c3)no2)C1 191335124 KWVXGOBQICEQFD-UHFFFAOYSA-N 350.378 2.656 0 50 FFAA O=C(c1cc2sccc2[nH]1)N1CCN(Cc2nccn2C(F)F)CC1 191986637 CNVKGCGRIGIOKP-UHFFFAOYSA-N 365.409 2.779 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](N)C2)c1C(F)(F)F 195118331 CGTWGSWGLPZEAL-LBPRGKRZSA-N 352.360 2.763 0 50 FFAA CCc1ccc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)nc1 1704302906 DDYQWSVQKYQUSM-OAQYLSRUSA-N 351.498 2.980 0 50 FFAA CCCCCNC(=O)N1CCCN(C(=O)CCOc2ccccc2)CC1 1772807435 WKDDPUONUCLLCL-UHFFFAOYSA-N 361.486 2.890 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc1C 1772700278 AVABIPSPVDTJHF-WMZOPIPTSA-N 358.482 2.938 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cn(C)nc3C)CC2)c2ccccc2n1 1772812160 CQHUOIQDIKJNTK-UHFFFAOYSA-N 363.465 2.938 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)c3occc3C)C2)cc1 12054139 JJPAUEZJVLFHAI-KRWDZBQOSA-N 370.449 2.808 0 50 FFAA Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)c(C)c1 12274372 RFKXIODOVZKDOX-NSHDSACASA-N 360.468 2.855 0 50 FFAA C[C@H]1CCCCN1C(=O)C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O 16661451 WCNJUSALWCIPNY-GOEBONIOSA-N 352.438 2.910 0 50 FFAA O=C([C@@H]1C[C@@]12CCOc1ccc(Cl)cc12)N1CCC(n2ccnn2)CC1 1857531752 XUSNEDFQGIKUJK-QFBILLFUSA-N 372.856 2.835 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1cccc(-n3nc(C)cc3C)c1)C2 1857677113 XNMDWGVMAMXFFD-FQEVSTJZSA-N 354.454 2.906 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2ccc3cccc(Cl)c3n2)CC[C@H]1O 1857712345 VIDMWFCMNUQPIN-APWZRJJASA-N 362.857 2.874 0 50 FFAA CC(C)(C(=O)N1C[C@@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO)c1ccccc1 1857722963 RPAPXRXHHNONCJ-GLHSZLCASA-N 365.473 2.560 0 50 FFAA O=C(Nc1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 219433811 CZQOJPVXKJWLPC-KDOFPFPSSA-N 368.412 2.876 0 50 FFAA C[C@H](C(=O)NC1CC1)N1CCN(Cc2cnc(C3CCCC3)s2)CC1 123309339 SPNHONMJXDMOLD-CQSZACIVSA-N 362.543 2.585 0 50 FFAA CC[C@H](C)n1ncc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1C1CC1 329861503 QHVROLYOEVEARH-ZFWWWQNUSA-N 368.485 3.124 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C(=O)O)c1ccccc1 236825329 UYKLCDQLPOXTSE-AZUAARDMSA-N 364.401 2.893 0 50 FFAA O=C1[C@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)CCN1c1ccc(F)cc1 264995273 CJMQWDIMZBSWMF-SJORKVTESA-N 356.401 2.656 0 50 FFAA C[C@]1(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)NC(=O)NC1=O 267262737 QLFCGKVTROGYFT-HNAYVOBHSA-N 369.446 2.780 0 50 FFAA CN1C(=O)COc2ccc(NC(=O)c3ccnc(NC4CCC4)c3)cc21 900907381 XOZHJERGHVYQCG-UHFFFAOYSA-N 352.394 2.654 0 50 FFAA Cc1cccc(-c2n[nH]cc2CN2CCN(CC(F)(F)F)C(=O)C2)c1 809711310 SUFODEMJBGXQAS-UHFFFAOYSA-N 352.360 2.592 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(Cl)c1 926152884 LXFAWSHCVHBHTI-VXIBKDFQSA-N 350.890 2.858 0 50 FFAA CNc1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1 2325760821 JJSVQSUEXDCZKN-IBGZPJMESA-N 355.438 2.887 0 50 FFAA CC(C)(C)c1ccnc2c(C(=O)N[C@H]3CCc4cc(CN)ccc43)cnn12 2325778754 NQKMOGLNALQLNF-KRWDZBQOSA-N 363.465 2.903 0 50 FFAA CC[C@H](N)CC(=O)N1CCc2cc(Br)c(O)cc2[C@@H](C)C1 2325779331 YYXHFPBHRFNSKK-JQWIXIFHSA-N 355.276 2.770 0 50 FFAA CN(C)c1cc(COC(=O)c2nn(-c3cccc(F)c3)cc2O)ccn1 2325852520 JPNAYFUMLPUSDV-UHFFFAOYSA-N 356.357 2.535 0 50 FFAA C[C@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1COc2ccccc2C1 903048319 MAQBXLHXWRHTMB-MTNREXPMSA-N 366.505 2.983 0 50 FFAA CCOc1ccc(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c(C)c1 110234925 XUHXSSBEDXTCGF-UHFFFAOYSA-N 364.405 2.931 0 50 FFAA Cc1nc2ccccc2c2nc(NC(=O)c3ccc4nsnc4c3)nn12 915261 FFISEXREWBZEKY-UHFFFAOYSA-N 361.390 2.843 0 50 FFAA Cc1cccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc12 1049256 MDNSDWBRMYCHDV-UHFFFAOYSA-N 351.387 2.839 0 50 FFAA aggregator Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cl)cc2C)cc1 1145479 NHYHKLVCIFIZDX-UHFFFAOYSA-N 352.843 2.874 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356133888 KCCOSLFDKBPNKR-OAQYLSRUSA-N 351.450 2.823 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)CCc2ccc(O)c(OC)c2)C1=O 2356152771 ZZTUTWWLLAFBMT-OAQYLSRUSA-N 374.481 2.727 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2)n1 4855267 NJEOFXFOAUDIHQ-UHFFFAOYSA-N 369.830 2.575 0 50 FFAA COc1cccc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4857731 NRGGVRCCGCLFAB-GOSISDBHSA-N 373.474 2.833 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 6742732 BJLQDYHPTCZJIS-UHFFFAOYSA-N 364.389 2.706 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)n[nH]1 462043994 GYENGDKRJKZFDA-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA COCc1nn2c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)cnc2s1 9029178 WNWNTLSYQOYAGY-UHFFFAOYSA-N 372.450 2.847 0 50 FFAA CCn1c(SCC(=O)NC2=NCCS2)nnc1-c1ccccc1C 9095813 GKTHECNNVVOIPX-UHFFFAOYSA-N 361.496 2.585 0 50 FFAA Cc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)s1 9143282 MXQKRQFKZKXVRL-UHFFFAOYSA-N 373.467 2.566 0 50 FFAA CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)CC1=O 9426661 SLJGWBVCXYVWOA-OAHLLOKOSA-N 366.421 2.529 0 50 FFAA Cc1c(CNC(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12 115687295 FEKCCYBJMFWBNA-UHFFFAOYSA-N 351.410 2.563 0 50 FFAA O=C(c1ccc(NCc2ccncc2)cc1)N1CCC[C@]2(CCNC2)C1 67675447 QXIBDPBWXQTDCK-OAQYLSRUSA-N 350.466 2.909 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 125937740 AFBYGBLURIMBBW-ICSRJNTNSA-N 366.461 2.840 0 50 FFAA CC(C)(C)C1CCC(CNC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 120199895 OLMPBYXSOJQMIN-UHFFFAOYSA-N 372.491 2.588 0 50 FFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCSc1ncn[nH]1 67490488 LREDVOFYZYWLQZ-UHFFFAOYSA-N 366.454 2.739 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 150992236 RJOPAWMPDVSWSI-CYBMUJFWSA-N 352.360 2.715 0 50 FFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4C)c3)[C@@H]2C1 127220914 JNJFEHCGZSIUCI-BHIYHBOVSA-N 355.438 2.589 0 50 FFAA CCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)O 25664125 PROMKSSJWWAGTP-KBMXLJTQSA-N 364.442 2.697 0 50 FFAA CCOC(=O)COC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 328590617 KMZDVSBJHUVQJP-SNVBAGLBSA-N 357.200 2.764 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCc2sccc2C1 11840102 WCVCZYNVUBIQCC-FQEVSTJZSA-N 374.481 2.799 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCn3ccnc3C)CC2)OC1=O 77286037 FPFVBROMSBNLFX-OAHLLOKOSA-N 362.474 2.584 0 50 FFAA OCc1ccccc1C1CCN(C[C@@H](O)COCc2ccccc2)CC1 364779788 OSVOQEBTUQUZBQ-OAQYLSRUSA-N 355.478 2.936 0 50 FFAA Cn1cc(C(=O)N2CCC(c3ccsc3)CC2)c([C@@H]2CCCNC2)n1 333342250 YIVRMNQFJVMDIX-OAHLLOKOSA-N 358.511 2.968 0 50 FFAA CC(C)CCO[C@@H]1CCN(C(=O)c2ccoc2C2(O)CCOCC2)C1 370150785 SRHDLDJCFQKYLB-OAHLLOKOSA-N 351.443 2.555 0 50 FFAA N[C@@H]1CCC[C@@H](C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)C1 237972309 IYGZNOLXUHSBAH-BRWVUGGUSA-N 355.482 2.647 0 50 FFAA CCOC(=O)c1coc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 77407924 FGYKSEMCTLFZJK-UHFFFAOYSA-N 359.470 2.942 0 50 FFAA O=C1OCC2(CCN(Cc3cnc(NCc4ccccc4)nc3)CC2)O1 216494907 JMHDASCFQQFZNB-UHFFFAOYSA-N 354.410 2.590 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC[C@@H](O)c2ccccc2C1 378632443 KCYOMZZTGKFKDC-UMSHPIDHSA-N 350.418 2.630 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCc3nnc(C)s3)cc2)n1 72433637 HSLMXACRYPNALG-UHFFFAOYSA-N 355.467 2.681 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 48488807 UJQQXTORQKKMDV-UHFFFAOYSA-N 357.414 2.761 0 50 FFAA NC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 290691201 PVAADUKHEGRDRS-HNNXBMFYSA-N 354.410 2.803 0 50 FFAA C/C=C/CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82115680 AKIQBWYOICZZNG-ATKOVBFVSA-N 355.482 2.822 0 50 FFAA O=C(NCCN1CCCOC1=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426402101 VIEDOOLVMOBNNP-UHFFFAOYSA-N 364.405 2.802 0 50 FFAA CCn1nc(C)c(NC(=O)N2CCN(c3ccccc3OC)CC2)c1C 89476715 LCGRENZDEXDSDP-UHFFFAOYSA-N 357.458 2.883 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)N(Cc1ccccc1Cl)C1CC1 426707157 HDYCBOYTRMEWBK-OAHLLOKOSA-N 365.905 2.718 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1)N1CCN(C)CC1 82108610 CDZNTFTZDSYLCT-MRXNPFEDSA-N 354.498 2.656 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1noc(-c2ccccc2)n1)c1ccc(F)cc1 95370248 JMBPWRBGXCSDII-GOSISDBHSA-N 368.412 2.837 0 50 FFAA CCNC(=O)c1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)ccc1Cl 97213372 MWHHWMIQURTYOE-UPUJQMMVSA-N 363.845 2.731 0 50 FFAA Cc1nccc(-c2cccc(NC(=O)NCCCn3nc(C)nc3C)c2)n1 95513073 QJTCCULMMDRXET-UHFFFAOYSA-N 365.441 2.872 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 91737460 CFPREBLJNVUVDP-LAUBAEHRSA-N 364.493 2.884 0 50 FFAA CC(C)CCOc1ccc(CCNC(=O)[C@H]2CCCN(C(N)=O)C2)cc1 91645052 IAMXDPKXAVGNGH-KRWDZBQOSA-N 361.486 2.561 0 50 FFAA CCOCC1(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CCC1 95505495 RBXBIFYXMOXWQR-UHFFFAOYSA-N 355.438 2.872 0 50 FFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N(C)C(C)C)c1 95505677 FGJGFGKXGGNKHB-UHFFFAOYSA-N 374.481 2.955 0 50 FFAA OCCCc1cn(C2CCN(Cc3cccc(Cl)c3F)CC2)nn1 23129873 QNKFQCWZSZBDQK-UHFFFAOYSA-N 352.841 2.833 0 50 FFAA Cc1ncsc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 91997401 RDEUWJIGEAPIIU-ZWKOTPCHSA-N 370.522 2.902 0 50 FFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@@H](c1cccnc1)N1CCOCC1 97766877 VNSQLHSLHWMHFD-GOSISDBHSA-N 373.403 2.539 0 50 FFAA NC(=O)C1CCN([C@@H](C(=O)O)c2ccc(Oc3ccccc3)cc2)CC1 95392059 HZANXRJNQDVBLN-GOSISDBHSA-N 354.406 2.802 0 50 FFAA Cc1ccccc1CN1CCC(CN(CC(=O)O)C[C@H]2CCCO2)CC1 95528967 XOMDBWKOLYBTKG-HXUWFJFHSA-N 360.498 2.773 0 50 FFAA COc1c[nH]c(C(=O)N(Cc2cccc(C)c2)C[C@H]2CCCO2)cc1=O 97813791 AIFUHGXLONUNGA-MRXNPFEDSA-N 356.422 2.513 0 50 FFAA COc1nc2c(cc1C(=O)N1CCN(C)C[C@H]1c1ccccc1)CCC2 92078332 WFUSKZUTQWUEOQ-IBGZPJMESA-N 351.450 2.708 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCCO[C@H](C)C2)c1 91713781 UYPKRBRNOGMZTL-CQSZACIVSA-N 361.438 2.903 0 50 FFAA COCCN(Cc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CCN(C)CC1 91656871 WCWLFIIKIPHUDU-UHFFFAOYSA-N 357.498 2.688 0 50 FFAA c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4c(c2)OCCO4)C3)nc1 95363824 ACSYPUSTYDBYOV-AZUAARDMSA-N 365.477 2.949 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C1(C(N)=O)CC1 91636682 JFIWUKFBYDUSFO-OAHLLOKOSA-N 366.465 2.576 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H](C)c3cn4ncsc4n3)cc2nc1C 95358658 XONZCKIILLCMGK-NSHDSACASA-N 352.423 2.842 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1csc(-c2cnccn2)n1 95511800 OIJNGUSROKBNOC-ZDUSSCGKSA-N 370.482 2.840 0 50 FFAA O=C(CCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1)c1ccccc1 91656875 AJFYLSMVPGYTPX-JOCHJYFZSA-N 368.477 2.901 0 50 FFAA CN(C)[C@H]1CCN(C(=O)Nc2ccc(F)cc2F)C[C@H]1CCC(=O)O 91846033 AYXUDAMSKVEZPA-ABAIWWIYSA-N 355.385 2.614 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(SCCO)cc1 243914701 BJROZCHQPZVBHX-QWFCFKBJSA-N 371.502 2.883 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(-c2ccsc2)n[nH]1 244602076 DXCCMJCNMJNMKW-IIYDPXPESA-N 354.435 2.775 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(CCC(=O)Nc3cccnc3)C2)n1 244741836 NXVHZEGNCQMWQL-OAHLLOKOSA-N 357.458 2.871 0 50 FFAA Cc1nc([C@H](C)N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)c(C)s1 244900098 ZVZJXACHAXQGQQ-NSHDSACASA-N 360.483 2.880 0 50 FFAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1cc(O)c2cccc(F)c2n1 257372070 DYXUWMYAJYRZIY-HAQNSBGRSA-N 355.373 2.585 0 50 FFAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 299753350 XXVKQIDWXQKBPA-ZENOOKHLSA-N 367.287 2.867 0 50 FFAA CC(C)(O)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1 184676511 LCYMRVYCZYSDDH-QGZVFWFLSA-N 370.449 2.818 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccccc2F)CNC3=O)c1 263619219 XMZNOHAKVUPLCS-LJQANCHMSA-N 366.396 2.730 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)NCCc2cccc(C(F)(F)F)c2)CC1 32565171 YXDNVVNXQVCKDD-UHFFFAOYSA-N 371.403 2.758 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 103159251 QHAMATQQPPDPAK-CWLKWCNXSA-N 365.408 2.999 0 50 FFAA CN1CCC2(CCC1=O)CCN(C(=O)Nc1cccnc1Cl)CC2 299800368 WHVIRNOWJLDAJN-UHFFFAOYSA-N 350.850 2.991 0 50 FFAA COCCCn1cnnc1CNC(=O)c1ccc2c3c([nH]c2c1)CCCC3 824396341 JEBMLHDKGVGKSQ-UHFFFAOYSA-N 367.453 2.605 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3cnc4nncn4c3)cc2)C1 584904017 RKTTZAWSJPBTKW-GOSISDBHSA-N 365.437 2.823 0 50 FFAA O=c1c2cnn(Cc3ccccc3)c2ncn1C[C@H](O)CCc1ccccc1 1875289970 BOMYPWFCPYQYJB-LJQANCHMSA-N 374.444 2.635 0 50 FFAA COC(=O)[C@H](OC(=O)c1nnn2ccccc12)c1cccc2ccccc12 1875328441 RVOXAMJNYJQXOP-GOSISDBHSA-N 361.357 2.954 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](N(C)c3ccc(C)cc3)C2)CC1 1875365139 GEYYQFGZLXZPKQ-HXUWFJFHSA-N 369.509 2.847 0 50 FFAA COC(=O)/C=C/CCNC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 1875311490 BIMRXDMVMCOFDB-RIYZIHGNSA-N 372.465 2.940 0 50 FFAA Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n2ncc(C)c2n1 1875405957 SPEAGMUBVNDXEP-FEMNKSEZSA-N 355.486 2.579 0 50 FFAA COc1ccc([C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2N(C)C)cc1 1565511947 OFNGZROYOMNRTE-UXHICEINSA-N 353.466 2.579 0 50 FFAA CCn1cc(CN(C)C(=O)[C@H](C)c2nnc(O)c3ccccc23)c(C)n1 1506414453 QCONCRYXQCVSBN-GFCCVEGCSA-N 353.426 2.622 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccc(C)cc3O)C[C@@H]2C(=O)O)c1 212924307 JFKYSHCHQJXVJO-SJORKVTESA-N 355.390 2.650 0 50 FFAA O=C(c1cnc(C2CC2)nc1O)N1CCC([C@@H](O)c2cccs2)CC1 1506397061 LXXQRKPPRKUJDG-OAHLLOKOSA-N 359.451 2.707 0 50 FFAA Nc1cc(N2CC[C@H]3[C@H](CCC(=O)N3CCC3=CCCCC3)C2)ncn1 215230048 KFMPDRFBNGZXLH-SJORKVTESA-N 355.486 2.767 0 50 FFAA Cc1ccc2nc(CCNc3nccc(N4CCC[C@@H](O)C4)n3)[nH]c2c1C 1529095869 XILGLXIYGUDERN-OAHLLOKOSA-N 366.469 2.585 0 50 FFAA Cc1ccc(N2CCC(N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)CC2)cc1 1529185411 MSZCBOFKYFOTHV-IRLDBZIGSA-N 371.525 2.835 0 50 FFAA CCOCc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)ccc1OC 1529184630 CBPCGFVPJLLCQB-VQIMIIECSA-N 360.454 2.564 0 50 FFAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccccc21 1184637 PBPUTEGLEQSTHM-VQHVLOKHSA-N 359.403 2.544 0 50 FFAA Cc1c[nH]c(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c(C)c1=O 1704336588 YJLREEIQPWKDBN-DYESRHJHSA-N 363.461 2.575 0 50 FFAA Cc1csc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)n1 12408135 GVAHPUHKIXPTHU-UHFFFAOYSA-N 369.450 2.639 0 50 FFAA biogenic COc1cccc(C[C@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)c1 12478503 WPHFKXSRHSFEMU-SFHVURJKSA-N 358.438 2.703 0 50 FFAA CN(Cc1ccco1)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 14750480 VTWNLCVRRVOTLC-HNNXBMFYSA-N 356.470 2.629 0 50 FFAA CN(C)c1ccccc1C(=O)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 15063678 QQPRBWOZLSQPQC-SFHVURJKSA-N 365.477 2.716 0 50 FFAA CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NS(C)(=O)=O 15066718 AESPEHIVQNUWDV-QGZVFWFLSA-N 374.510 2.676 0 50 FFAA O=C(Cc1ccccc1)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19832563 IOXWBMLEUDAWKM-OCCSQVGLSA-N 365.688 2.810 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857670080 ORPHVNNHKLXZGB-MNEFBYGVSA-N 352.434 2.669 0 50 FFAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H](Cn2ccnn2)C1 125127647 IUMNJMLUXVQUDP-MRXNPFEDSA-N 367.478 2.878 0 50 FFAA CC[C@](C)(NC(=O)Cn1c(=O)cnc2ccccc21)c1nc(C)cs1 151233530 HUYHSSRXZLGXAG-SFHVURJKSA-N 356.451 2.603 0 50 FFAA FC1(F)CCN(C[C@H]2[C@H]3CN(Cc4ccncc4)C[C@]34CC[C@H]2O4)CC1 1704298759 DGUKTTLFWOOUGC-WJFTUGDTSA-N 363.452 2.792 0 50 FFAA C[C@]1(O)CC2(CCN(Cc3ccc(-c4ccccn4)cc3)CC2)OC[C@@H]1O 1704313172 HLMHDGUCSPVKCM-SFTDATJTSA-N 368.477 2.615 0 50 FFAA O=C([C@@H]1CSC(c2ccccc2)=N1)N1C[C@H](CO)Cc2cccc(F)c21 911684150 ORBUZLSOUUFTDQ-DYVFJYSZSA-N 370.449 2.886 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cc3c(cc2Cl)OCO3)CC[C@@H]1O 2100482209 GUYXTMPFKRMRRG-DOTOQJQBSA-N 355.818 2.506 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O 916930 HUWJGXNBQBUARJ-INIZCTEOSA-N 353.378 2.625 0 50 FFAA Cc1cccnc1[C@@H]1CCN(C(=O)C[C@H](O)c2nc3ccccc3[nH]2)C1 2325810714 ZNAMBRSBBZWZSC-PBHICJAKSA-N 350.422 2.706 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(C)(C)OC(F)F)CC1=O 2325819692 NBACJJMRLPZSNK-TZMCWYRMSA-N 354.397 2.730 0 50 FFAA CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCCN2 2325866837 BOXSJTYCHBBGSS-FHLIZLRMSA-N 355.482 2.812 0 50 FFAA O=C1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[C@H]2CCCC[C@@H]2N1 894375041 IZSXGTZCIALAOI-WLZFUECHSA-N 358.404 2.872 0 50 FFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 643304 UILKNIUYRYEYHM-AWEZNQCLSA-N 359.451 2.897 0 50 FFAA COc1cccc(C(=O)N2N=C(c3ccncc3)C[C@@]2(O)C(F)(F)F)c1 871848 JVWPYTRPZONFFL-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA O=C(c1ccco1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 872216 IBJQHZCMKBAUKY-UHFFFAOYSA-N 353.466 2.702 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 1174729 ADBZNYOELNQMLZ-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA Nc1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)s1 2546441 GYSSLKAZQWHHTA-UHFFFAOYSA-N 350.347 2.750 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)c1 111834494 GISCMLYHBVENRR-RTBURBONSA-N 373.476 2.980 0 50 FFAA CC(C)(N)c1cn(CC2CCN(C(=O)NC3CCCCCC3)CC2)nn1 55168315 FEZMUYASJXLOOX-UHFFFAOYSA-N 362.522 2.616 0 50 FFAA NC(=O)C1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1 26535468 JKZMKTVUZGINCX-UHFFFAOYSA-N 360.417 2.634 0 50 FFAA CC(C)Cc1ccc(CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)cc1 20994080 KIGNOTOFDGJEOI-QHCPKHFHSA-N 373.585 2.848 0 50 FFAA O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CS(=O)(=O)c2ccccc21 118633274 BVTYDCHLXXRMGI-SFHVURJKSA-N 355.459 2.753 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H]2c2nonc2C)c1 67935438 ICRDHIGLFQMPHA-HNNXBMFYSA-N 353.382 2.754 0 50 FFAA CN1C(=O)CCc2cc(-c3nc(CC(=O)Nc4ccccc4)no3)ccc21 136371055 XGPKSIPSYVFDFD-UHFFFAOYSA-N 362.389 2.827 0 50 FFAA COc1cccc(OC)c1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 23375500 XBXXUAQEMHMPED-SFHVURJKSA-N 362.514 2.905 0 50 FFAA COc1ccccc1OCCN(Cc1cncnc1)[C@@H]1CCCNCC1 435724855 YKGVETIFDSQRSA-GOSISDBHSA-N 356.470 2.508 0 50 FFAA O=C(c1cc2n(n1)CCCO2)N1CCn2c(cc3cc(Cl)ccc32)C1 329931751 AUPTUSRHEBQTQS-UHFFFAOYSA-N 356.813 2.930 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65398371 LQXMRDBFXNAHCJ-FQEVSTJZSA-N 358.438 2.980 0 50 FFAA COc1ccnc(NC2CCN(C(=O)c3oc(CC(C)C)nc3C)CC2)n1 252490886 LEBKKGKLELHXFX-UHFFFAOYSA-N 373.457 2.697 0 50 FFAA c1cncc(-c2nc3c(c(NCCC45CCCN4CCC5)n2)CCNC3)c1 67771790 FEOLRTSORHSFJE-UHFFFAOYSA-N 364.497 2.615 0 50 FFAA COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(F)cc3)on2)cc1 1393804 LVBNGQVAWCMHCJ-UHFFFAOYSA-N 362.382 2.968 0 50 FFAA COc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)ccn1 72479218 BLIOINGWNATIPI-UHFFFAOYSA-N 354.435 2.662 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)C1(N2CCCC2)CCCCC1 219606955 LPYIELAJIANATI-UHFFFAOYSA-N 370.541 2.961 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(Cc3cccc(F)c3)CC2)CN1C(=O)C1CC1 72410881 DVQMGAGMYDPHRB-KRWDZBQOSA-N 360.429 2.503 0 50 FFAA COC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cccc(C)c3)CC2)c1C 151300772 KQNIDJKRYYUEFO-UHFFFAOYSA-N 355.438 2.689 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2)no1 77534999 PWYPOLNAVXJFMM-ZDUSSCGKSA-N 354.414 2.548 0 50 FFAA Cc1cccc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 71735880 AJRIIOUCXFFKJL-IBGZPJMESA-N 370.541 2.689 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCC[C@@H](N3CCCC3)C2)[C@@H]1c1ccccc1 363531722 XLYWLSTWADSYPV-DYXWJJEUSA-N 369.509 2.683 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)cn2)n1 363175351 RXDLGKJUSKTCBM-UHFFFAOYSA-N 359.393 2.922 0 50 FFAA O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCC(N2CCCC2=O)CC1 363486226 SZOBTDPQCBNLFQ-UHFFFAOYSA-N 372.856 2.753 0 50 FFAA COCCCN1C[C@]2(CCCN(c3ncncc3C(C)C)C2)CCC1=O 72434391 PZGYJOKLMWYIPR-FQEVSTJZSA-N 360.502 2.846 0 50 FFAA Cc1cccc2c1CCN2C(=O)[C@H]1CCCN1C(=O)c1ccccc1O 126842698 PGJMBDYLVVUZNA-GOSISDBHSA-N 350.418 2.895 0 50 FFAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)COC[C@@H]1CCCCO1 77356892 PIRKUDRAEOEQOI-NRFANRHFSA-N 374.525 2.943 0 50 FFAA O=C(O)C1(Oc2ccc3ncccc3c2)CCN(C[C@@H]2CCOC2)CC1 77471242 OWARTPRGDLVMRS-HNNXBMFYSA-N 356.422 2.569 0 50 FFAA COCc1ncsc1C(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 367276435 CFAKZBQZQFXKGF-INIZCTEOSA-N 371.462 2.878 0 50 FFAA CCO[C@@H](C)c1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cs1 237037359 KOMLTUODQSJEAM-LRDDRELGSA-N 374.462 2.821 0 50 FFAA CNC(=O)c1ccnc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c1 77490077 NVWBWDSGMIIXEI-NRFANRHFSA-N 370.497 2.593 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1ccc2c(c1)CN(C)C2 216325397 FBQNBYHTHVCUGP-FQEVSTJZSA-N 367.497 2.645 0 50 FFAA CSc1ccc(-c2nc(CN3CCN(C)[C@H](CCO)C3)c(C)o2)cc1 71575889 RSBPYQGSNZUKEQ-MRXNPFEDSA-N 361.511 2.870 0 50 FFAA CC[C@H]1CN(C(=O)CN2CCCCC2)CCC(=O)N1Cc1ccccc1 71589540 OSGPFLKFUQLXAK-IBGZPJMESA-N 357.498 2.512 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](c4nncn4C)C3)cc2)n1 72141980 BLKIIPABRYDDIS-QGZVFWFLSA-N 364.453 2.637 0 50 FFAA Cc1cccc(Cl)c1C(=O)N1CCC(CO)(CN2CCCC2)CC1 222443292 KTZUJFWHURORSF-UHFFFAOYSA-N 350.890 2.959 0 50 FFAA CCn1ncc(CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c1C 14187249 PQUJAKGRXOBDKC-UHFFFAOYSA-N 350.850 2.944 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccn(CCO)n2)C1 426488560 WUJPBAPZKBHYFV-QGZVFWFLSA-N 366.465 2.696 0 50 FFAA Cc1nn(CCC(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c(C)c1C 223935532 HRMBEWRBNONDBP-CYBMUJFWSA-N 354.414 2.521 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(Cl)s1 223402975 XXWAUZUWQWHTFP-GHMZBOCLSA-N 358.872 2.962 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2ccc3nc(C)oc3c2)n1 292552228 DQFXWHAXFBBFAW-CQSZACIVSA-N 355.398 2.768 0 50 FFAA CCCn1ccnc1CNC(=O)c1cccc(-c2cc(N(C)C)ncn2)c1 426548799 ORUXECSKLZBRQH-UHFFFAOYSA-N 364.453 2.746 0 50 FFAA COc1ccccc1[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1C(=O)O 91304712 JHSADXUOXFGRJZ-DLBZAZTESA-N 369.417 2.767 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c(C)c1 95359573 QNRVNFSAVPVOHF-HXUWFJFHSA-N 369.465 2.732 0 50 FFAA Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)NC(C)C)cc2)n1 92020423 VGAGHVCQENSAFU-GFCCVEGCSA-N 367.496 2.629 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCN(Cc1ccc(-c3ccccc3F)o1)C2 92107575 HRYVRRQXHQSTIH-NRFANRHFSA-N 372.440 2.893 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 91807219 PMQBHQNGESLFMD-GFCCVEGCSA-N 355.364 2.722 0 50 FFAA Cc1cccc(OCC(=O)N2CCC(c3nccn3CCN(C)C)CC2)c1 95501237 NZCVXLKLRJSWLS-UHFFFAOYSA-N 370.497 2.538 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N(C)CCc1cnn(C)c1 95388157 YXDOGKNQSSSBBQ-QGZVFWFLSA-N 353.470 2.984 0 50 FFAA CNC(=O)c1cccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)n1 95378831 VTCKIRZVTDVJFW-NRFANRHFSA-N 370.497 2.593 0 50 FFAA Cn1cnnc1SCCNC(=O)Nc1cccc(OC(F)(F)F)c1 97805633 VBGASCAECBJAIZ-UHFFFAOYSA-N 361.349 2.628 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1C 239203297 SCAIPAYRKDAVHM-LXJANLPBSA-N 364.445 2.685 0 50 FFAA CCOCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95382773 XLVMWBLTDKFVHF-RMKNXTFCSA-N 356.466 2.577 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(Cl)cc1O)CC2 91847950 SIBXFGWTQWERTQ-UHFFFAOYSA-N 374.872 2.778 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1cccc(Cl)c1 239009531 ATTCJZJEVDBRJI-ZCVDQKGDSA-N 370.836 2.704 0 50 FFAA CN1CCC[C@@H](CCC(=O)NCCc2nccc(-c3ccccc3)n2)C1 95373748 CYDQJNKDKWVTSY-KRWDZBQOSA-N 352.482 2.924 0 50 FFAA O[C@H]1C[C@@H](c2cc(N3CCCN(Cc4cccc(F)c4)CC3)ncn2)C1 244633135 FXHVEPHOZXVALZ-MAEOIBBWSA-N 356.445 2.566 0 50 FFAA CSCC[C@H](CO)NC(=O)Cc1c(C)n[nH]c1-c1ccc(Cl)cc1 252500862 TWUBKXPHIFOPHT-CQSZACIVSA-N 367.902 2.811 0 50 FFAA O=C(COC[C@@H]1CCCCO1)NCCCc1nc2cc(Cl)ccc2[nH]1 252486653 HNZSFNRRJNKNIP-AWEZNQCLSA-N 365.861 2.851 0 50 FFAA Nc1n[nH]c2ccc(-c3cccc(C(=O)N[C@@H]4CN5CCC4CC5)c3)cc12 534663509 ZRXXVMAGRCEKGK-LJQANCHMSA-N 361.449 2.636 0 50 FFAA CCn1c(CCNC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)nc2ccccc21 534666194 CNWVSVQVXHSHRN-QWHZDKJVSA-N 356.470 2.665 0 50 FFAA O=C(Nc1ccc2ncccc2c1)N1CCCC[C@H]1CN1CCOCC1 299774217 AEVUHHOQPAYBAA-SFHVURJKSA-N 354.454 2.953 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cc3ccccc3n(C)c2=O)c1C 299795636 MUOSJXHHZBDZLE-GFCCVEGCSA-N 352.438 2.863 0 50 FFAA Cc1cc2c(nc1I)OCCN2C(=O)C(C)(C)C 66054355 LLWFXBGMCOOQRH-UHFFFAOYSA-N 360.195 2.766 0 50 FFAA in-vitro CCCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(-n3c(C)cnc3O)cc2)C1 1875267265 PGLPBYQCJIMYRO-WBVHZDCISA-N 371.485 2.731 0 50 FFAA COc1cccc(-n2cc(C(=O)Nc3nnc(CC4CCCC4)o3)nn2)c1 1875349888 RGYAVVKQJCRYOH-UHFFFAOYSA-N 368.397 2.644 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(F)c3)[C@H]2C)C1 1875371143 QOVMHNHAZQLRIK-OGWOLHLISA-N 360.429 2.539 0 50 FFAA NCC[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CCO1 1875307989 OLEWKHUZGXZGSQ-CYBMUJFWSA-N 350.260 2.547 0 50 FFAA CCCN1CC[C@@H]2N(C(=O)c3ccc4c(c3)CCCN4)CCC[C@@]2(CO)C1 1565508212 WSBGZMHNTYCIHN-UNMCSNQZSA-N 371.525 2.744 0 50 FFAA Clc1cnn(CCN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c1 1565529693 MQCSBRFAMRGHCZ-CJNGLKHVSA-N 351.907 2.589 0 50 FFAA COc1ccc(F)cc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 271108932 CHLALJRRYPEFQX-OAHLLOKOSA-N 357.385 2.757 0 50 FFAA Cn1cc(C(=O)NCc2coc(-c3ccccc3)n2)c([C@H]2CCOC2)n1 275416968 BWANXDLMELRQFM-AWEZNQCLSA-N 352.394 2.509 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C(=O)NC1CC1)c1ccccc1 275595507 QAWMKLOBWWZUJE-FFZOFVMBSA-N 368.481 2.590 0 50 FFAA C[C@H](OC(=O)[C@@H]1CCCc2n[nH]cc21)C(=O)N1CCSc2ccccc21 758134816 GLUYZVHRLFEBRX-QWHCGFSZSA-N 371.462 2.900 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCCCN1C 1506406886 HBQDSYPPLUYUCD-ZDUSSCGKSA-N 360.907 2.810 0 50 FFAA Cc1cc(NC(=O)CCNC2CCN(C(=O)C3CCC3)CC2)ccc1F 1506406764 JBGCTXQOMNJQKH-UHFFFAOYSA-N 361.461 2.843 0 50 FFAA Cc1noc([C@H](C)N(C)S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)n1 1506400877 CTKIREPMNYJBAN-JTQLQIEISA-N 366.399 2.625 0 50 FFAA CN(CC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCCC1 1529134332 WRSIOMWQEPCALK-DYESRHJHSA-N 367.493 2.783 0 50 FFAA Cc1cc(N2CCCN(c3ncccc3C(=O)N3CCCC3)CC2)ccn1 1529168324 ADIHJVVXNIGZKW-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA O=C(CCC1CCCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704342076 FLFCWECCJZYOAG-GHTZIAJQSA-N 359.466 2.864 0 50 FFAA CC(C)c1nc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cs1 212258149 IFYNQQGIOSFMDD-HIFRSBDPSA-N 374.462 2.986 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc1 1615958598 XZEVWGFAAOAHHP-HKUYNNGSSA-N 354.450 2.609 0 50 FFAA COc1cccc(OCC(=O)N2CCCN([C@@H](C)CC(F)(F)F)CC2)c1 1772806124 ZDLULJUKMLCVSY-AWEZNQCLSA-N 374.403 2.949 0 50 FFAA COc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCC1 5578716 KNWPPKQHBGSMBB-UHFFFAOYSA-N 364.423 2.715 0 50 FFAA CC(C)CCc1noc(CN2CCCC[C@@H]2CCN2CCOCC2)n1 11873248 QRILWKASGOFIQL-QGZVFWFLSA-N 350.507 2.735 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)s1 11999518 KFGPFCRNEJECHL-CQSZACIVSA-N 361.467 2.564 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)nn(C)c2n1 14899080 HNXVNWLVLVUUMT-UHFFFAOYSA-N 367.428 2.687 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 15076169 TYSWQRIJNGXNDK-UHFFFAOYSA-N 372.860 2.634 0 50 FFAA Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 15415982 HUBGJCRHGVRURQ-UHFFFAOYSA-N 362.451 2.783 0 50 FFAA CC(C)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 19335873 VQUFCQRUZWXMPU-HXUWFJFHSA-N 372.557 2.920 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1OC 19561056 ZMBFUXIYSAXBLT-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CC(C)c1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1 19877134 HEPMWAKCIRFEQU-UHFFFAOYSA-N 355.276 2.725 0 50 FFAA COc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)c(OC)n1 169762143 FABJKVWYIFBCTG-LBPRGKRZSA-N 372.425 2.797 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)c1ncn(C)n1 440728356 MFIFXPDHXCHIAS-GFCCVEGCSA-N 372.860 2.821 0 50 FFAA Cc1cc(C)c(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1C(=O)O 126836864 WFWMJTULOAQMEF-UHFFFAOYSA-N 350.396 2.976 0 50 FFAA CNC[C@H]1CCCN1C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 237223302 DLVBPQOJFXHDCQ-HXUWFJFHSA-N 368.525 3.000 0 50 FFAA CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCCN(C(C)=O)C1 246898738 HHPSHJVHKUSQLZ-RTWAWAEBSA-N 371.525 2.616 0 50 FFAA CN(C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 363777377 VVDKZASNXDQLEJ-JKSUJKDBSA-N 364.921 2.759 0 50 FFAA O=C(N1CC[C@H](n2cncn2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 368731321 CQHMNUAOUHSGRW-AWEZNQCLSA-N 350.344 2.802 0 50 FFAA CC[C@@](NC(=O)c1cc(C)nc2c1c(C)nn2C)(C(=O)O)c1ccccc1 262473451 SOBACXRLCHLHSU-FQEVSTJZSA-N 366.421 2.705 0 50 FFAA COc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(Cl)c1OC 1704312923 FHOHRLHZNMPKGQ-VQIMIIECSA-N 368.905 2.636 0 50 FFAA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(Cc2ccccc2)C3)cc1 4145270 ZLGNOMDLPQSKHR-IBGZPJMESA-N 363.417 2.688 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1cccc(N2CCCC2)c1 2325786989 RVQOUPMUTTXXGE-GOSISDBHSA-N 367.449 2.914 0 50 FFAA c1ccc(-c2ncc(CSc3nncn3[C@@H]3CCCNC3)cn2)cc1 2325787797 XKVGRGWABNBKCI-MRXNPFEDSA-N 352.467 2.952 0 50 FFAA Cc1cc(C(=O)Nc2cnc3c(c2)C[C@@H](N)CC3)c(C)n1-c1ccon1 852873953 FSGMXRNVVWMKMV-AWEZNQCLSA-N 351.410 2.545 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1 2325889631 AUMKEEWRAMKFJC-UHFFFAOYSA-N 361.401 2.940 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3nc(O)n(C)c3c2)cc1 2325889792 WJEQWJUEQBMYLJ-UHFFFAOYSA-N 350.378 2.680 0 50 FFAA COc1ccc(COC(=O)Cn2c(=O)sc3ccccc32)c(OC)c1 643509 UVAAQKCMFGBZSA-UHFFFAOYSA-N 359.403 2.824 0 50 FFAA O=C(Cn1c(=O)oc2ccccc21)Nc1sc2c(c1C(=O)O)CCCC2 809694 ZTBKGHGBQOFXSB-UHFFFAOYSA-N 372.402 2.872 0 50 FFAA O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 864993 CUXULQVPZZCWTB-LBPRGKRZSA-N 362.794 2.857 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1 1180328 LGPNMAARFFLENO-UHFFFAOYSA-N 358.419 2.674 0 50 FFAA C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)Cc2nnc(Cc3ccccc3)n21 2356143579 NYBCEPIJZMRTER-ZDUSSCGKSA-N 362.437 2.686 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cn3ccc(C)cc3n2)C1=O 2356150143 NUOIWMCKHBUPNQ-HXUWFJFHSA-N 354.454 2.650 0 50 FFAA COc1ccc(CNC(=O)CSc2nc3ccc(OC)cc3[nH]2)cc1 4274637 LCYJFNUIEHVDGR-UHFFFAOYSA-N 357.435 2.989 0 50 FFAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 248530602 NAXLDPNARPLSNE-HFEAQDSJSA-N 372.852 2.667 0 50 FFAA O=C(NC12CC3CC(CC(C3)C1)C2)c1c(O)c2cccc3c2n(c1=O)CC3 100326532 VACHZEWEAFGCQR-UHFFFAOYSA-N 364.445 2.962 0 50 FFAA CCCSc1ncc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)cn1 65393877 NPNJWYGLMRPHAA-LLVKDONJSA-N 363.512 2.653 0 50 FFAA COc1ccc(OCc2cc(C(=O)NC[C@@H]3CCCO3)no2)c(Cl)c1 67643400 RUNVQTXILKRUDL-LBPRGKRZSA-N 366.801 2.824 0 50 FFAA Cc1nccn1-c1ccc(N2CCC(N3CC[C@@H](N(C)C)C3)CC2)cc1 23429375 IVQGQKCZIFLKAR-OAQYLSRUSA-N 353.514 2.785 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 120885462 NQTJLQMDWSLZPS-OAHLLOKOSA-N 355.373 2.515 0 50 FFAA COCc1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)o1 12429322 INPJTTABEPILMO-MDKPJZGXSA-N 367.449 2.759 0 50 FFAA Cc1ccccc1COc1ccccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C 282143225 PABKBXXYIXFAGT-MAUKXSAKSA-N 352.434 2.971 0 50 FFAA CN1C(=O)C[C@@H](CNCc2csc3ccccc23)[C@@H]1c1cnn(C)c1 328633050 SIFXBNIHJSDGFR-ORAYPTAESA-N 354.479 2.944 0 50 FFAA COc1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1OC 363732575 VSZFYZMYYGJOHO-KRWDZBQOSA-N 373.384 2.548 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2ncccc2Cl)C1 72424596 PAYDAXVCYNWJGD-AWEZNQCLSA-N 360.893 2.843 0 50 FFAA CCCc1oncc1C(=O)N1CCC2(CC1)C(=O)N(C)c1ccccc12 72156743 UFDNBIWJAIOQKM-UHFFFAOYSA-N 353.422 2.778 0 50 FFAA COC(=O)c1cccnc1N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72157805 PWSRVRUAIUZULD-XUVXKRRUSA-N 363.461 2.935 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(c4cnccn4)C3)C2)c1OC 72447141 BXVXJPLQQGUGDI-NRFANRHFSA-N 368.481 2.986 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1C[C@H](O)C2(CC2)C1 376049882 HJFLJOOOCHCPMW-HNNXBMFYSA-N 354.372 2.903 0 50 FFAA O=C([C@H]1CCCN(C2CCN(CCCn3cccc3)CC2)C1)N1CCCC1 71750025 GJPYWGQDQDXZMV-FQEVSTJZSA-N 372.557 2.677 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1ccc(=O)[nH]n1 72480217 MUSMRMJLBSVFGL-UHFFFAOYSA-N 360.464 2.546 0 50 FFAA CC(C)(C)OC(=O)NCCCN1CCC(NC(=O)c2ccsc2)CC1 239619627 BFXLFNOKRAQMKJ-UHFFFAOYSA-N 367.515 2.857 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 289204973 VVNYHVXVMPCNPC-HNNXBMFYSA-N 358.442 2.701 0 50 FFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)NCc1cc(COC)n[nH]1 426484398 FBUPXQHNRMMNBT-UHFFFAOYSA-N 370.457 2.515 0 50 FFAA CCc1noc(CCNC(=O)Nc2ccc3c(c2)nc(CC)n3CC)n1 426590055 XYIHYRAEAWVNTK-UHFFFAOYSA-N 356.430 2.928 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2cnc(-c3ccccn3)nc2)CC1 82099679 IUGBMMSWBPKZKX-UHFFFAOYSA-N 373.460 2.805 0 50 FFAA Cc1ccc(-c2ccc(C(=O)NCCN3CCC[C@@H](CO)C3)cc2)c(C)n1 426734212 BBAZCTRQWVBVQZ-GOSISDBHSA-N 367.493 2.800 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)CC3CCCC3)CC2)n1C1CC1 82092570 DTZDSSCKUDZYSD-UHFFFAOYSA-N 359.518 2.961 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)no1 91270126 NYNXCKOBZPLZMY-MAUKXSAKSA-N 351.450 2.687 0 50 FFAA O=C(NCc1ncc[nH]1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 426552417 YHSXYEOPHFLBAT-NRFANRHFSA-N 367.497 2.998 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cnc(-c3ccccn3)nc2O)c1 91625204 HGANGKBRYCAXBV-CQSZACIVSA-N 363.421 2.651 0 50 FFAA Cc1ccc(-c2nc(CN3CCCC3=O)n(-c3ccccc3C(=O)O)n2)o1 96137883 NFPXTDVQNGOXBH-UHFFFAOYSA-N 366.377 2.656 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1C(=O)CCc2ccccc21 95518830 BVTQUNWGUDLLGV-KRWDZBQOSA-N 353.422 2.934 0 50 FFAA CN(Cc1ccccc1)c1cnn(Cc2nnc(-c3ccco3)o2)c(=O)c1 95382436 YCSQCTIIOXMZTM-UHFFFAOYSA-N 363.377 2.571 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3nc4ccccc4[nH]3)C2)N1Cc1cscn1 91270130 NIXLRSGLOFCSHI-DZGCQCFKSA-N 367.478 2.642 0 50 FFAA CCn1ncnc1[C@@H](C)NC1CCN(c2nc(C)nc3sccc23)CC1 96162745 ITHGIUXYBPJTAJ-GFCCVEGCSA-N 371.514 2.931 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(Cc2cc3c(cc2C)OCCO3)C1 91706626 VTQJLOAFLYVICV-HXUWFJFHSA-N 363.454 2.860 0 50 FFAA Cc1ccc2nc(CCNC(=O)c3cc(-c4cccn4C)[nH]n3)[nH]c2c1C 91390771 XFCXVJRITGRZLC-UHFFFAOYSA-N 362.437 2.881 0 50 FFAA Cc1cc(CN2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)on1 91441297 LNKXORWGEGSXMG-UHFFFAOYSA-N 354.454 2.783 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)NCCCc2ccc(Cl)cc2)C1 95352468 IFJBVTWYXXQIOB-HNNXBMFYSA-N 351.878 2.782 0 50 FFAA CC(=O)N1CCCN([C@H](C(=O)O)c2cc(Cl)ccc2OC(C)C)CC1 95378239 JACJEPFYCXYJKN-KRWDZBQOSA-N 368.861 2.807 0 50 FFAA CN1CCN(C(=O)c2cnc(-c3cccnc3)nc2)[C@H](c2ccccc2)C1 91656176 DGUXUCPRDMBIFX-IBGZPJMESA-N 359.433 2.668 0 50 FFAA Cc1ccccc1SCC(=O)NC[C@@H]1CCCN(c2ncccn2)C1 94105316 MTRJVKFULDDUTE-INIZCTEOSA-N 356.495 2.910 0 50 FFAA COc1ccc(OC)c(NC(=O)CCN2CCCC3(CCOCC3)C2)c1 244715965 LFVWBKSRXYMJJJ-UHFFFAOYSA-N 362.470 2.925 0 50 FFAA C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(OCC(F)(F)F)nn1 182255820 CRYSTAWCCJYIJV-NSHDSACASA-N 369.343 2.827 0 50 FFAA Cc1ccc2[nH]c([C@H]3CCCN(S(=O)(=O)c4cccnc4)C3)nc2c1 182495190 GQMMBDSSZISCJA-AWEZNQCLSA-N 356.451 2.835 0 50 FFAA O=C(c1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1)N1CC[C@@H](O)C1 534660533 FMLIQVCNQKWYOS-GOSISDBHSA-N 367.449 2.515 0 50 FFAA CN(C)[C@H](CNC(=O)N1CCC(OCc2ccccn2)CC1)c1ccco1 534639394 MXHJMRAVGWJBRX-GOSISDBHSA-N 372.469 2.668 0 50 FFAA Cc1cccnc1[C@H](NC(=O)CCS(=O)(=O)c1ccccc1)C1CC1 299798538 SHAYKNKUWRZWGR-LJQANCHMSA-N 358.463 2.821 0 50 FFAA Cc1ccc([C@H]2C[C@H]2C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 102003188 GUEZMMUCPGOLSC-HUUCEWRRSA-N 351.431 2.867 0 50 FFAA CCS(=O)(=O)CCNC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 299773359 FOIBLYZVUYUIOX-HNNXBMFYSA-N 367.515 2.617 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCC(Oc2ccncc2)CC1 299795406 KXMPXSOLUXXJEW-KRWDZBQOSA-N 369.465 2.957 0 50 FFAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)(C)N1CCOCC1 822560162 XZOKXIITZGNLHO-HNNXBMFYSA-N 361.486 2.512 0 50 FFAA O=C(NC1CCN(CCO)CC1)N1CCCC[C@H]1CCc1ccccc1 584901284 LXDBOJRXNIFGLM-FQEVSTJZSA-N 359.514 2.640 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)NCCSCc3[nH]cnc3C)[nH]c2c1 584896597 DLAFZILNSKQTDQ-UHFFFAOYSA-N 372.498 2.978 0 50 FFAA Cc1cc(C)n(Cc2nc(C3(c4ccccc4)CC3)nn2CCCO)n1 670457442 UJEKZJPOSUESAR-UHFFFAOYSA-N 351.454 2.602 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCc3ccc(OC)c(F)c3)CCN2)c1 870148340 NWESJSKDXBVJKW-LJQANCHMSA-N 372.440 2.949 0 50 FFAA Cc1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2c1CCCN2 1875317436 XKWJFVSCCJNEOC-UHFFFAOYSA-N 359.451 2.977 0 50 FFAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(N)c(Cl)c2)c(F)c1 1875325076 QHRCQWBNVKDPQH-SECBINFHSA-N 370.833 2.908 0 50 FFAA C[C@]1(NC(=O)CC2CC2)CCCN(C(=O)C2(c3ncccc3F)CC2)C1 1875406815 MXFXIHXKYUZYKB-IBGZPJMESA-N 359.445 2.550 0 50 FFAA CC(C)n1cnc(C(=O)N2CCC[C@]3(NC(=O)[C@@H]4C[C@H]4C)CCC[C@@H]23)c1 1875407141 UATKZXIUYGYMOE-MXHNKVEKSA-N 358.486 2.764 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1cncn1C 886029147 WWIANYNYOBYGLR-QFBILLFUSA-N 351.454 2.714 0 50 FFAA Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@@H]2CCCC23CCOCC3)c1 886056888 HBALPHGIYXMQED-MRXNPFEDSA-N 366.483 2.869 0 50 FFAA Cc1nnc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)s1 275219756 BVVBSCXSXISRFW-ZDUSSCGKSA-N 374.470 2.527 0 50 FFAA C[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C[C@H](C)O1 170637408 CYVHXPYIYLPSHT-RYUDHWBXSA-N 350.415 2.989 0 50 FFAA Cc1ccc(C(C)(C)CNC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 188507877 UQKRYJHATUAMOU-KRWDZBQOSA-N 361.530 2.759 0 50 FFAA CN(C(=O)CN1CCCN(C(=O)c2ccccc2)CC1)C1CCCCC1 193245289 ZGGZBUWUGJMBOY-UHFFFAOYSA-N 357.498 2.626 0 50 FFAA Cc1cc(F)c(C(=O)NS(=O)(=O)c2cccc3ncccc23)cc1F 757880955 RBINGYKNADXSJW-UHFFFAOYSA-N 362.357 2.940 0 50 FFAA O=C1CC[C@@H](N2CCC(O)(Cc3ccccc3)CC2)CCN1CC1CC1 1506415861 QKHRBNCVGACDSY-HXUWFJFHSA-N 356.510 2.847 0 50 FFAA N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)OCCc1sccc12 1704298614 AJUBQKVFCPRCIV-KRWDZBQOSA-N 356.491 2.709 0 50 FFAA Cc1c(F)cccc1NC(=O)CN1CCCN(C(=O)c2ccco2)CC1 1772700358 DDFOXXYLEJSRID-UHFFFAOYSA-N 359.401 2.514 0 50 FFAA COCCCNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 5669757 GBJCNISSGIVNIO-NBVRZTHBSA-N 356.397 2.749 0 50 FFAA CCOc1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 13673809 BRAUKDUOINJBIK-UHFFFAOYSA-N 362.451 2.695 0 50 FFAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@H](N1CCCCC1)C2 14534573 ONRWUTRULRJNKH-SFHVURJKSA-N 366.509 2.736 0 50 FFAA Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 16294354 LZVJWYQDYFWEPR-UHFFFAOYSA-N 373.478 2.558 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC4(CC3)CC(=O)N(C)CCO4)c2o1 1857704550 WVYHKRWXJNGBQB-UHFFFAOYSA-N 356.422 2.595 0 50 FFAA CCNC(=O)c1ccc(N2CCC(NC(=O)c3ccc(C)s3)CC2)nc1 301246854 QHQLPVPGLCMCMB-UHFFFAOYSA-N 372.494 2.600 0 50 FFAA O=C(NCc1ccnc(OCC2CC2)c1)N[C@H]1COc2ccccc2C1 109149768 FPNPCFRHTVABGU-QGZVFWFLSA-N 353.422 2.673 0 50 FFAA Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 328747705 BAGGIUZGVOVIDE-QMMMGPOBSA-N 366.295 2.967 0 50 FFAA O=C(NCc1ccno1)C1CCN(C(=O)c2ccc(Cl)s2)CC1 331629343 HTPCUCVAJYUVGE-UHFFFAOYSA-N 353.831 2.558 0 50 FFAA CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@H](O)CC2)n(-c2ccccn2)n1 248566857 BYBJNQJUUXGPFV-HDJSIYSDSA-N 357.458 2.990 0 50 FFAA C[C@H]1CC[C@@H](CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)O1 369794992 QANTZXBBZVGASW-RDJZCZTQSA-N 354.454 2.559 0 50 FFAA COc1cc(CCC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)ccc1C 1704298922 LIGXGATUGKRXRM-FQEVSTJZSA-N 361.482 2.859 0 50 FFAA Cc1cc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc(O)n1 911086921 ZCELEKNIJJGRGY-GOSISDBHSA-N 357.479 2.502 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)Nc2ccnc(OCC(F)(F)F)n2)CCS1 931697630 XQVBXTLLFUMTSR-BDAKNGLRSA-N 350.366 2.823 0 50 FFAA CC1(C)CN(C(=O)[C@](C)(O)c2ccccc2C(F)(F)F)[C@H]2COC[C@H]21 843903106 JIWWBIZWGSRERU-JKIFEVAISA-N 357.372 2.796 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)cc1 1439275081 DMWWQWSCCCQRFQ-UHFFFAOYSA-N 366.343 2.765 0 50 FFAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2CC(O)C2)CC1 2100556692 PDVRZEVYUVMIFI-UHFFFAOYSA-N 363.461 2.931 0 50 FFAA Cn1cc(-c2ccncc2NS(=O)(=O)c2ccc(C(C)(C)C)nc2)cn1 2325772457 YMLNQFAZDXRRRA-UHFFFAOYSA-N 371.466 2.975 0 50 FFAA COc1ccc(CN)cc1-c1nc(-c2cc(C(F)(F)F)nn2C)no1 2325777182 KCLVBDRZHBBRHL-UHFFFAOYSA-N 353.304 2.623 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)NCc2ccc(N(C)C)cn2)C3)cc1 2325785182 IKUNCCQDKAKJDN-LAUBAEHRSA-N 350.466 2.939 0 50 FFAA O=C(N[C@@]1(c2ccccc2)CCNC1)c1ccn(-c2ccc(F)cc2F)n1 2325856766 BCZMGUAASOIGPV-FQEVSTJZSA-N 368.387 2.769 0 50 FFAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCNC1=O 855145653 LWURBOFGQCTRFG-ZDUSSCGKSA-N 353.447 2.684 0 50 FFAA C[C@@H]1C[C@H]1CC(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867797 GEGGWBNKUFYLSP-HIFRSBDPSA-N 359.470 2.543 0 50 FFAA COc1ccc(S(=O)(=O)NCCc2ccc3c(c2)C[C@@H](C)O3)cc1C 2325870435 XYOLGFZPNNRZOL-CQSZACIVSA-N 361.463 2.848 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)CC1 2325888384 OFCYLSBXDSRYLT-UHFFFAOYSA-N 373.478 2.508 0 50 FFAA CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 806092 FKUQJROUQOSXJI-UHFFFAOYSA-N 350.484 2.733 0 50 FFAA CCN1CCN(c2nc(C)c3c(n2)C[C@@H](c2cccs2)CC3=O)CC1 2343007 QKWPCONPJUBMLZ-CQSZACIVSA-N 356.495 2.901 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)CC1 6742236 PMDQKGUKRVSLDM-OTGCGEFBSA-N 370.493 2.776 0 50 FFAA Cc1ccccc1N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1=O 7450797 VEDGQHWCNNOAFI-GOSISDBHSA-N 363.461 2.697 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2sc3ncccc3c2N)CC1 10011076 FRXWJXDAKNVKMD-UHFFFAOYSA-N 368.462 2.850 0 50 FFAA O=C1C[C@@H](C(=O)Nc2ccccc2CN2CCOCC2)c2ccccc2N1 55816654 SZXJGFZKNPGMDI-QGZVFWFLSA-N 365.433 2.583 0 50 FFAA O=C1O[C@H](C(=O)Nc2ccc(Br)c(O)c2)Cc2ccccc21 225579447 AENBAZYETWOIIN-AWEZNQCLSA-N 362.179 2.875 0 50 FFAA COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)N1CCCC1 8560271 BMWHDPKCCLCGSM-UHFFFAOYSA-N 366.483 2.542 0 50 FFAA CCCC[C@@H](C)S(=O)(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 225834145 FHADPFJWRRFAFN-IEBWSBKVSA-N 368.543 2.866 0 50 FFAA CC(C)N1CCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1CCO 20109898 CDMMRHXWIHNPHL-QHCPKHFHSA-N 371.569 2.921 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N[C@@H]2CCN(C)C2=O)n1 23478088 YGKURHKOJLAMIC-QGZVFWFLSA-N 362.437 2.589 0 50 FFAA COc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)c(Cl)c1OC 104371891 GONNUQYOWJQBSF-OAHLLOKOSA-N 356.894 2.634 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC[C@H](C(=O)c4nccn4C)C3)cc2c1 67473377 MCKBGHKQUPWNHU-HNNXBMFYSA-N 364.449 2.665 0 50 FFAA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@H]1C(=O)O 136520323 MHSZUFBELCOXRZ-CABZTGNLSA-N 373.236 2.577 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)Cn2c(=O)oc3ccc(C)cc32)CC1 67588566 FOEUIXQOIZRNSO-UHFFFAOYSA-N 368.437 2.595 0 50 FFAA CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cnn(C)c2)[C@@H]1c1ccccc1 61721045 XBHOEJPBWUNQTC-MOPGFXCFSA-N 360.417 2.969 0 50 FFAA O=C1OCCN1CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 39515978 HRNZEFQJGYQNKF-UHFFFAOYSA-N 369.356 2.802 0 50 FFAA O=C(COC(=O)[C@@H]1C[C@H]1c1ccccc1F)NC[C@H]1Cc2ccccc2O1 252679839 RYCLESAZRPGHQG-HYVNUMGLSA-N 369.392 2.592 0 50 FFAA CN(C)S(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3128158 ZVWKKUSVULRIBK-UHFFFAOYSA-N 353.753 2.795 0 50 FFAA CC[C@@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2 72473963 NHPVDCZGJGTFGF-MRXNPFEDSA-N 370.497 2.803 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cn2ccsc2n1 72130923 DGEKMJKDEISNEE-LBPRGKRZSA-N 374.853 2.580 0 50 FFAA COc1ccccc1[C@@H]1CCCN1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 173037822 MPQKDBMEGOXFMP-UXLLHSPISA-N 370.449 2.534 0 50 FFAA O[C@H](CNCc1c[nH]nc1-c1ccsc1)CN1CCc2ccccc2C1 436268980 JCOBDHXYLNHYMT-LJQANCHMSA-N 368.506 2.647 0 50 FFAA COc1ccnc(CN2CCC3(CC2)c2ccccc2C[C@@H]3O)c1OC 72146496 CPRUWHQAXJJNBI-IBGZPJMESA-N 354.450 2.550 0 50 FFAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCCC3)nc2c1=O 72426937 XLJKWLFNYLAZGC-UHFFFAOYSA-N 356.813 2.589 0 50 FFAA CCOc1cncc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)n1 486563752 JJKUHYZQYGUCHW-LBPRGKRZSA-N 357.332 2.746 0 50 FFAA Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cn1 154577375 YTSGQWZCWVWYDC-UHFFFAOYSA-N 365.430 2.569 0 50 FFAA Cc1nc(CO[C@H]2CCN(Cc3cc(-c4cnn(C)c4C)no3)C2)cs1 367304196 ASBOQRVLFHSYBJ-HNNXBMFYSA-N 373.482 2.940 0 50 FFAA CN(C[C@H]1CC12CCN(Cc1ncn(-c3ccccc3)n1)CC2)C1CC1 367508895 CENOVRZFWMSZFN-QGZVFWFLSA-N 351.498 2.964 0 50 FFAA O=c1[nH]nc([C@H]2CCCN(Cc3cccc(O)c3)C2)n1-c1ccccc1 71681620 KEEQGMPBNYNGJM-INIZCTEOSA-N 350.422 2.646 0 50 FFAA O=C([C@H]1CC2(CCNCC2)CN1)N1CCC(CCCc2ccccc2)CC1 72156052 KUUONBOOOVKTSP-OAQYLSRUSA-N 369.553 2.980 0 50 FFAA CC(C)(C)NC(=O)COc1ccc(CN2CCC[C@@H](C(C)(C)O)C2)cc1 215941316 KULDPDYDAIWKCW-QGZVFWFLSA-N 362.514 2.963 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccnc(NC)c3)CC2)OC1=O 72407593 NCLHNKXQHHGJGB-AWEZNQCLSA-N 360.458 2.739 0 50 FFAA COc1ccccc1OS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 378586500 ZFJQOMXUDOHJIU-OAHLLOKOSA-N 367.467 2.585 0 50 FFAA COc1cc(Cl)c(CN2CCN(C3CCCC3)C(=O)C2)c(OC)c1 215012031 OYTSAEPURZMBOV-UHFFFAOYSA-N 352.862 2.944 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)cc1C 72117413 FKFMWWYTJYWJRN-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 77504948 POEUYFCLGWIBAY-YLBLARDPSA-N 357.498 2.939 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cccc4ccnn34)C2)c1 72157985 LHZDGXQHWHLLKE-AWEZNQCLSA-N 351.406 2.981 0 50 FFAA Cc1nc([C@H](C)NC(=O)CCS(=O)(=O)c2ccccc2)c(C)s1 222312478 CGEBOSXGHVBJBH-NSHDSACASA-N 352.481 2.801 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(NCCc3ccncc3)nc2)C1 20454091 IMUUHCYSSBLMAV-KRWDZBQOSA-N 354.454 2.630 0 50 FFAA COc1cc(C)ccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82125836 CEOUVGHTAQEUPY-OAQYLSRUSA-N 360.498 2.591 0 50 FFAA CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NOCc1ccccc1 43936947 XNDRFJMBZVXYNJ-AWEZNQCLSA-N 354.472 2.881 0 50 FFAA CN1CCN([C@@H]2CCN(Cc3ccc(C4CCCC4)s3)C[C@H]2O)CC1 20911455 MOSOIYSUZOAXJI-RTBURBONSA-N 363.571 2.588 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc3cnccc13)C2 221427154 PKGJCGGIXHMTEX-LJQANCHMSA-N 350.422 2.921 0 50 FFAA O=C(NCc1ccc2nonc2c1)N1CCC[C@@H](OCc2ccccn2)C1 426641523 YWDIYGVCTOYRKS-MRXNPFEDSA-N 367.409 2.509 0 50 FFAA Cc1cccc([C@@H](NC(=O)N2CCN(Cc3cccs3)CC2)C(=O)O)c1 426475327 CCRZKZKSYMDKEH-QGZVFWFLSA-N 373.478 2.710 0 50 FFAA Cc1cc(C)nc(CNC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)n1 97527945 CWCIBYWJCYMZCS-UHFFFAOYSA-N 353.426 2.850 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95358621 FJTNKACSJKEBCH-IBGZPJMESA-N 360.498 2.923 0 50 FFAA COc1cccc(OCCN(C)C(=O)[C@H]2COc3c(cccc3OC)C2)c1 92081293 GUHMQGCZRSBWKE-MRXNPFEDSA-N 371.433 2.792 0 50 FFAA CNCC1CCN(C(=O)/C=C/c2cc(Br)ccc2OC)CC1 237343648 YTRVUSUADAMPIH-ZZXKWVIFSA-N 367.287 2.929 0 50 FFAA CCN(CC)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91665757 VIDNYFSWBRXGKB-UHFFFAOYSA-N 358.486 2.748 0 50 FFAA Cc1n[nH]c(-c2cccc(NC(=O)N(C)Cc3n[nH]c4c3CCC4)c2)n1 96151781 MSZCYGUIIDVAIK-UHFFFAOYSA-N 351.414 2.656 0 50 FFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc(C)ccn1)C2 95383972 SDYRKYXYHBVPMH-SBHAEUEKSA-N 359.514 2.734 0 50 FFAA Cc1cc(C)n2nc(CC(=O)N3CCC[C@](C)(c4ccccc4)C3)nc2n1 91950862 WTYMZGFGJNBWGH-NRFANRHFSA-N 363.465 2.864 0 50 FFAA Cc1cc2c(cc1NC(=O)N1CCC(N3CCSCC3)CC1)OCO2 95531170 QTRHBRCJYQNQRQ-UHFFFAOYSA-N 363.483 2.769 0 50 FFAA CCCN1CCC[C@@]2(CCN(C(=O)Cn3c(C)nc4ccccc43)C2)C1=O 91416732 MNLMXRJVMXKHGD-NRFANRHFSA-N 368.481 2.596 0 50 FFAA CN(C)C(=O)C[C@H]1CN(C(=O)c2cnn3c2CCC3)c2ccc(Cl)cc21 295794393 KDAWQRGIKZCQNI-LBPRGKRZSA-N 372.856 2.705 0 50 FFAA Cc1ccc(C2(O)CCN(C[C@H]3CC(c4ccccc4)=NO3)CC2)nc1 244758081 OSANBVUXWGBNEA-GOSISDBHSA-N 351.450 2.867 0 50 FFAA CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 245253903 RFHXBHSPONFYKA-ZMSDIMECSA-N 366.502 2.509 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc2ncsc2c1 299781347 QYRDPLWEALRTSO-NSHDSACASA-N 360.443 2.807 0 50 FFAA Cc1n[nH]c(C2CCN(C(=O)c3nc(-c4ccccc4)[nH]c3C)CC2)n1 299796255 QGHIUWCWDWWMRD-UHFFFAOYSA-N 350.426 2.831 0 50 FFAA Cc1nn(C)c(NC(=O)NCCCN2CCCC2=O)c1-c1ccccc1 299791767 DITXSLWGKLQPGK-UHFFFAOYSA-N 355.442 2.530 0 50 FFAA NCCCOc1ccc(C(=O)N2CCOC3(CCCC3)C2)cc1Cl 299786775 QMXMKPCJQSKZGL-UHFFFAOYSA-N 352.862 2.853 0 50 FFAA Cc1c(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)n[nH]c1-c1ccccc1 584903620 LGJPQWHBOGMDKD-OAHLLOKOSA-N 366.465 2.906 0 50 FFAA Cc1csc(CCNC(=O)N2CCCC[C@H]2CCN2CCCC2=O)n1 584897366 ZEGBFCVOJSBWOS-HNNXBMFYSA-N 364.515 2.571 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCc2ccc3nsnc3c2)n1 670457986 BDFOJKWRZCVXHC-LLVKDONJSA-N 359.480 2.895 0 50 FFAA Cc1ccn(C)c1C(=O)N(C)C[C@@H]1CCCN(C(=O)c2c(C)ccn2C)C1 871239723 KDAPXPYKYSPRAN-KRWDZBQOSA-N 370.497 2.605 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2ccc(Br)cc2[C@H]1C 1875381318 QMJZJBVAPSFWDD-LLVKDONJSA-N 351.244 2.539 0 50 FFAA Cn1cc(OC2(C(=O)NC[C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)CC2)cn1 1875404220 ABIIPYDCLJBRBG-GOEBONIOSA-N 361.486 2.822 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](CC(=O)O)C(F)(F)F 1875270804 FOYULDJWGBALGK-MRVPVSSYSA-N 355.744 2.636 0 50 FFAA Cc1ncnc2c1C[C@H](C(=O)N1CCCN3c4ccccc4C[C@@H]3C1)CC2 1875294950 YZDMOKPYDOIUJJ-QZTJIDSGSA-N 362.477 2.554 0 50 FFAA CCCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 952965041 BINJAHGUYQNGNX-INIZCTEOSA-N 371.481 2.864 0 50 FFAA CCn1cc(C(=O)NC[C@H](O)c2cccc(C)c2)c(C2CCOCC2)n1 888075941 CCTCNJQOXCQNOO-SFHVURJKSA-N 357.454 2.569 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@@H](C)N)C1 269292321 UTVZPLMKYVQXJK-WOPDTQHZSA-N 373.266 2.941 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N3CCCC3)cccc2c1C 1565512155 OPNRIULPLDBDNT-LDTOTXGLSA-N 353.466 2.766 0 50 FFAA O=C(CN1CC[C@@]2(C1)OCc1ccccc12)NCCCOC1CCCCC1 186692501 ZOQFIMIHTTWAFB-QFIPXVFZSA-N 372.509 2.973 0 50 FFAA CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(-c3ccco3)on2)CCO1 170599748 NUXNNXGXOQCNIW-AWEZNQCLSA-N 363.414 2.660 0 50 FFAA COCCC1(C(=O)Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)CC1 170606054 FMMXCJCTONWMHF-UHFFFAOYSA-N 366.361 2.703 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279630686 DAWOAQMFEJGSSA-GXFFZTMASA-N 352.312 2.754 0 50 FFAA CCCc1cc(N2CCO[C@H](c3ccc(F)cc3F)C2)n2ncnc2n1 189269017 ZMYHQMNVIAZVSK-INIZCTEOSA-N 359.380 2.933 0 50 FFAA CCO[C@H]1C[C@](NC(=O)Cn2c(C)cc3ccccc32)(C(=O)O)C1(C)C 193042595 MNSBEHBROWVQJN-JXFKEZNVSA-N 358.438 2.724 0 50 FFAA CCc1nc(C2CCN(C(=O)c3ccncc3C(F)(F)F)CC2)n[nH]1 193145300 MDJHPINAOFWFBB-UHFFFAOYSA-N 353.348 2.801 0 50 FFAA COc1nc2c(cc1C(=O)N1CCCN(Cc3cccs3)CC1)CCC2 1506405158 XMARQBSCUMEFKT-UHFFFAOYSA-N 371.506 2.989 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN12 1529153334 AOONYSMFRQTBQK-VQTJNVASSA-N 358.461 2.697 0 50 FFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCn1cnc3ccccc3c1=O)C2 1704351979 UYQVUCMGXUGCFF-NQIIRXRSSA-N 369.465 2.594 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc(-c4ccccc4Cl)no3)C[C@H]2O)on1 1704337608 BLSCYVMCJPMNNZ-MLGOLLRUSA-N 374.828 2.722 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]2N1CCCCO 215014486 GSWVMHPRJVCLQK-AEFFLSMTSA-N 350.890 2.925 0 50 FFAA Cc1ccc(C)c2c(=O)cc(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)[nH]c12 1704301411 YFQHEKJGGDAUKV-OXQOHEQNSA-N 363.461 2.575 0 50 FFAA CC1=C(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)OCCO1 1616097022 LDWFKYKNNDITGO-MOPGFXCFSA-N 353.418 2.795 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCCN(c2ccc(Cl)cn2)CC1 1772806934 HQBFRPVLUNQHBW-UHFFFAOYSA-N 357.845 2.755 0 50 FFAA Cc1cc(=O)n2nc(NCc3ccc(OCc4ccccc4)cc3)nc2[nH]1 5577477 STCMCCHERUOOQU-UHFFFAOYSA-N 361.405 2.917 0 50 FFAA Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@H](C)CS2(=O)=O)c1 12003758 ABXSSJNAFPKDRR-CQSZACIVSA-N 372.446 2.868 0 50 FFAA CCn1cc(C(=O)Nc2cccc(NC(C)=O)c2)c(=O)c2ccc(C)nc21 12391045 PLWXSATWRHTCSI-UHFFFAOYSA-N 364.405 2.936 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1OC 12440010 SQUISOOZOSPLLR-NRFANRHFSA-N 374.481 2.701 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3sc(N(C)C)nc3Cl)C2)C1 12574475 ICNYIMZRDCCHEC-QGZVFWFLSA-N 372.966 2.797 0 50 FFAA COc1ccc(CN2C(=O)N(C)C3(CCN(CC(C)C)CC3)C2=O)cc1 14733207 UTYVVKDYQLXVPK-UHFFFAOYSA-N 359.470 2.580 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(CC3CCC3)C2=O)c(F)c1F 14980583 SBTKWRMGMKBRDM-LJQANCHMSA-N 352.425 2.516 0 50 FFAA COc1ccc(CN(C)C(C)C)cc1OC[C@@H](O)CN1CCCCC1 15072241 PBVKKBSRMJMXIL-SFHVURJKSA-N 350.503 2.761 0 50 FFAA COc1cccc(CO[C@H](C)C(=O)Nc2ccc(OC)cc2C(=O)O)c1 263270166 IACBDIQULDYSLI-GFCCVEGCSA-N 359.378 2.946 0 50 FFAA C=CC(=O)N1CCC(c2noc([C@@H](OC(C)=O)c3ccccc3)n2)CC1 820436950 UJLQNWSHAICNKN-KRWDZBQOSA-N 355.394 2.614 0 50 FFAA O=C(NCc1cccc(C(=O)O)c1)N[C@@H]1CCCN(Cc2ccccc2)C1 312139652 FBJNRZGZGPXBLO-LJQANCHMSA-N 367.449 2.849 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1 858081 PXIYXXZJBLYXSB-SJLPKXTDSA-N 354.406 2.876 0 50 FFAA Cc1c(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cnn1C 2100555289 PIDVRIXOCMJVQN-NRFANRHFSA-N 352.482 2.886 0 50 FFAA O=C(CCC(F)F)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 2325760076 CXFITXPZXFORIO-KRWDZBQOSA-N 351.441 2.845 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NC[C@H]1CCC[C@@H](c2ccccc2)CC1 2325797026 TULJVRXQGBCNHZ-MAUKXSAKSA-N 356.466 2.910 0 50 FFAA CCc1nc(N2CCN(c3ccc(O)nc3)CC2)c2scc(C)c2n1 2325802675 SYPSBFJYCAFDHW-UHFFFAOYSA-N 355.467 2.989 0 50 FFAA CCC(CC)CC(=O)N(C)C1CN(C(=O)c2ccc3c(C)[nH]nc3c2)C1 2325870757 NJZCLGUMSRDRHL-UHFFFAOYSA-N 356.470 2.980 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(C)nc3c(C)cccc23)CC[C@@H]1O 2356159438 AJNIFYJEQIBAIR-LAUBAEHRSA-N 370.449 2.930 0 50 FFAA CCNC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C)c1ccccc12 6624171 XJZAVAREIRAVBP-QFIPXVFZSA-N 374.444 2.976 0 50 FFAA biogenic Cc1ccc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cc1 6800389 FMVDDVZMYUNVPD-UHFFFAOYSA-N 361.448 2.558 0 50 FFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2C[C@H]3CC[C@H]2C3)c1 101835353 RZZMLFKGAPBLHB-HOTGVXAUSA-N 372.465 2.709 0 50 FFAA O=S(=O)(NCCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 10543313 OKASRXAQNXDXEL-UHFFFAOYSA-N 351.399 2.508 0 50 FFAA CC(C)c1nn2c(=O)cc(COC(=O)[C@H](C)Oc3ccccc3)nc2s1 8605578 CHDGVLRVBRGTOS-LBPRGKRZSA-N 373.434 2.785 0 50 FFAA Cc1noc(C)c1[C@H](C)C(=O)N1CCN(Cc2cnn(C(C)(C)C)c2)CC1 113858753 RXSFLAOZRDFRIK-AWEZNQCLSA-N 373.501 2.691 0 50 FFAA Cc1n[nH]c(C)c1CCCNCc1cn(CCC(N)=O)c2ccccc12 55118748 JLSARSTXFADISD-UHFFFAOYSA-N 353.470 2.579 0 50 FFAA COc1cccc([C@H](NC(=O)[C@H]2C[C@H]2c2ccncc2)c2nccn2C)c1 248127506 MDDRHULNLXRBIX-FHWLQOOXSA-N 362.433 2.833 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1OC(F)F 100092078 AZVFIZVKGSPGPK-UHFFFAOYSA-N 367.348 2.869 0 50 FFAA in-man CC(C)n1cnnc1[C@@H](C)NC(=O)c1cc(COc2ccccc2)[nH]n1 67975338 WZQMIMWOBJQWCZ-CYBMUJFWSA-N 354.414 2.652 0 50 FFAA COCCn1cncc1CNc1ncc2c(n1)CCN2c1ccccc1 65461585 VDUPGPVVNBHORH-UHFFFAOYSA-N 350.426 2.626 0 50 FFAA CCN1CCN(CC(=O)NCC(c2ccccc2)c2ccccc2)CC1 73140793 SLTGNSRDSFORIM-UHFFFAOYSA-N 351.494 2.572 0 50 FFAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCNC(=O)c1cccnc1 69115545 LDFHPIWVKLRXPE-INIZCTEOSA-N 368.481 2.867 0 50 FFAA C[C@@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 67821507 ZIJJXODHPPZKBY-KRWDZBQOSA-N 352.482 2.643 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCCN(C2CCN(Cc3ccccc3)CC2)C1 23339251 RWWDMYPTZLTCMC-HXUWFJFHSA-N 355.526 2.889 0 50 FFAA CCCn1nc(C)c(CNc2nc(N)nc3ccc(C(=O)O)cc23)c1C 65462840 ACUCUQCYQMWSNV-UHFFFAOYSA-N 354.414 2.746 0 50 FFAA CCn1ccnc1CN[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11935280 HPYJOMJWRNNZRU-CQSZACIVSA-N 366.387 2.813 0 50 FFAA CCOC(=O)C1(CCOC)CCN(Cc2c(C)nn(CC)c2C)CC1 12052425 FKRQVJXNQVPQIH-UHFFFAOYSA-N 351.491 2.702 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC(C(=O)N2CCCCC2)CC1 72412212 SALWZTZPLYMWJT-UHFFFAOYSA-N 366.465 2.941 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cccc(-c4ncn[nH]4)c3)n1)CCNC2 23581735 BNIPPSWDOPAJGT-UHFFFAOYSA-N 359.393 2.538 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC(c3ccn[nH]3)CC2)cc1Cl 122463445 HYSNJFJWJPUOQB-UHFFFAOYSA-N 355.847 2.640 0 50 FFAA CC(C)n1ncc2ccc(NC(=O)C(=O)N(C)Cc3ccc(O)cc3)cc21 172539443 NMWXZZGHTQXDSU-UHFFFAOYSA-N 366.421 2.920 0 50 FFAA Cn1ncc2c1ncn1nc(Cn3c4c(c5ccccc53)CCCC4)nc21 2800363 MIBPVIAJZGWHEM-UHFFFAOYSA-N 357.421 2.893 0 50 FFAA O=C(O)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 5027164 BLNNAPTWPAAZLE-JOYOIKCWSA-N 355.272 2.970 0 50 FFAA O=C(NC1(CCO)CCCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 253417630 OLJWDQOYNVMRLT-HNNXBMFYSA-N 350.846 2.504 0 50 FFAA COc1cc(N[C@H]2CCCN(Cc3cccc(C(N)=O)c3)C2)cc(OC)c1 155110976 OZNLMQOVXZDKIR-KRWDZBQOSA-N 369.465 2.879 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCC(N2CCC(O)CC2)CC1)c1ccccc1F 72135383 MWBHQVPTACFELF-JOCHJYFZSA-N 374.500 2.941 0 50 FFAA Cc1cccnc1CN(C)Cc1ccccc1OCCN1CCOCC1 215462364 RDGCNLDDLJWHQZ-UHFFFAOYSA-N 355.482 2.733 0 50 FFAA O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)[C@@H](CCO)C1 72427997 RVBGNJGVSUAYPF-KRWDZBQOSA-N 374.868 2.755 0 50 FFAA O=C(CCCc1cc(F)ccc1F)NC[C@H](C(=O)O)C1CCOCC1 455863291 DGMOYEJOVHFCMQ-HNNXBMFYSA-N 355.381 2.531 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CCO1 378558184 GJGDEQTWSDWKLK-BMFZPTHFSA-N 355.442 2.886 0 50 FFAA Cn1nc(C(C)(C)C)cc1NC(=O)Cn1cc(-c2ccccc2N)cn1 48112432 XJAAJEBIAZWCLO-UHFFFAOYSA-N 352.442 2.802 0 50 FFAA Cc1cc(C)cc(CCC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)c1 14970656 OLNQIZYSNZQSLF-FQEVSTJZSA-N 357.542 2.911 0 50 FFAA Cc1ncc(C(=O)N2CCc3[nH]nc(COc4ccccc4)c3C2)c(C)n1 48156057 JFBHHETWWIIUGL-UHFFFAOYSA-N 363.421 2.594 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)NCc2cn3ccsc3n2)n1 426509495 OZBHHVDVTRGRHW-LBPRGKRZSA-N 360.443 2.949 0 50 FFAA COc1ccc(-c2noc(CN(C)C(=O)c3onc4c3CCCC4)n2)cc1 426501762 MKNLWBIWYIGGHB-UHFFFAOYSA-N 368.393 2.884 0 50 FFAA O=C(NCc1ccccc1C(F)(F)F)N1CCC(N2CCOCC2)CC1 426422811 HMDCFMCAEBSKQW-UHFFFAOYSA-N 371.403 2.712 0 50 FFAA c1cncc(Cn2ccnc2[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 91829105 XEZQKGGIQNFXKL-MRXNPFEDSA-N 359.437 2.982 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2c2ccn(C)n2)cn1 91757082 RHGCMFKMFZTEFR-KRWDZBQOSA-N 365.437 2.982 0 50 FFAA c1cnc(N2CCC(N[C@@H]3CCCN(Cc4cccs4)C3)CC2)nc1 95507365 UYHIVOKVZFMPTL-QGZVFWFLSA-N 357.527 2.761 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1cccc(-n3cncn3)c1)C2 95501215 SFKGQFQGJAGNCD-UHFFFAOYSA-N 363.425 2.804 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N(C)CCc2c(C)n[nH]c2C)c1 95505339 FRSOABFEKCIVBU-UHFFFAOYSA-N 360.414 2.528 0 50 FFAA CCNc1ncc(C(=O)N[C@H](c2ccncc2)c2ccc(OC)cc2)cn1 92020495 MMZSVEZXOVKUGY-SFHVURJKSA-N 363.421 2.831 0 50 FFAA CC(C)c1ncc(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)cn1 97815298 QCGLTHMFUAZIFJ-UHFFFAOYSA-N 362.437 2.557 0 50 FFAA Cc1cccc(NC(=O)CN2CCc3sc(C(=O)N(C)C)cc3C2)c1 244795197 RBININFCCHAOQJ-UHFFFAOYSA-N 357.479 2.755 0 50 FFAA Cc1ccc(NC(=O)CCN(C)Cc2cccc(-c3nnn[nH]3)c2)cc1F 244701173 KBNWKBAFFHAVJW-UHFFFAOYSA-N 368.416 2.775 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Nc2nc3ccccc3s2)[C@H](O)C1 244605568 FAZRNQUVEXTZIM-GDBMZVCRSA-N 353.447 2.984 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CCC(=O)O)C1CCOCC1 299753621 YUVUTPHLRKSOBD-ZDUSSCGKSA-N 369.845 2.898 0 50 FFAA CCc1nccn1CCNC(=O)c1cccc(-c2cccc([C@@H](C)O)n2)c1 534588207 JUKQPIKNKKSRIU-OAHLLOKOSA-N 364.449 2.991 0 50 FFAA Cc1ncsc1CCN(C)C(=O)NCc1ccc2c(c1)OCCCO2 534587735 HVSZSSDLJBENPA-UHFFFAOYSA-N 361.467 2.997 0 50 FFAA COc1ccc(-c2c(-c3ccccc3)ncn2[C@H](CO)C(=O)O)cc1O 91416897 YMDURANLZPFSCR-CQSZACIVSA-N 354.362 2.549 0 50 FFAA COc1cccc(C(=O)N[C@@H]2CCc3ccccc3C2)c1OCCCN 299777826 PCAJJYLHQBKIEA-QGZVFWFLSA-N 354.450 2.710 0 50 FFAA O=C1N(Cc2ccccc2)C(=O)C2(CCNCC2)N1CCc1ccccc1 299781442 LHUCGURJSMNSOH-UHFFFAOYSA-N 363.461 2.816 0 50 FFAA CC(=O)c1cc(CC(=O)NCc2ccccc2CN2CCCC2=O)cs1 299776070 NDLUIHWCGLPIBB-UHFFFAOYSA-N 370.474 2.932 0 50 FFAA CC[C@@H](C)Cc1nc(C2(O)CCN(C)CC2)n(Cc2ccc(F)cc2)n1 822619999 ISRMBFYXEXAKBJ-OAHLLOKOSA-N 360.477 2.967 0 50 FFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1nc2ccccc2o1 952847516 YCRVZZYUCDDFFJ-OAHLLOKOSA-N 353.426 2.980 0 50 FFAA C[C@@H](O)c1ncc(CN2CCc3nnc(-c4ccncc4)cc3C2)s1 952894090 LTJPWWWDKCBFBZ-GFCCVEGCSA-N 353.451 2.607 0 50 FFAA CCn1nc(C(=O)N2CCCC3(CCN(C)CC3)C2)c2c1[C@H](C)O[C@H](C)C2 1875300131 MLNNJJFNKRUPOM-CVEARBPZSA-N 374.529 2.873 0 50 FFAA COc1ccc(Cl)c(C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)n1 1875317956 HPNWSTDMXDUBDQ-JTQLQIEISA-N 354.740 2.755 0 50 FFAA CCO[C@H]1COCC[C@@H]1Cc1nc(-c2ccn(C)n2)nn1CC(C)(C)C 1875349111 MWIGABTUVLXJNI-ZBFHGGJFSA-N 361.490 2.709 0 50 FFAA CCCC1CC(C(=O)N[C@@H](CCc2c[nH]nc2C(F)(F)F)C(=O)O)C1 1875321034 RPPYBIQYQNNNAY-NHNAUAITSA-N 361.364 2.757 0 50 FFAA O=C(N[C@H]1C[C@H](O)C12CCOCC2)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320484 REQABGXGQPHBFQ-ZFWWWQNUSA-N 370.371 2.638 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 952990683 XLTFHJCLTOOGEP-AWEZNQCLSA-N 362.417 2.922 0 50 FFAA C[C@H]1CNc2c(C(=O)Nc3ccc(OCc4nccn4C)cc3)cnn2C1 1347352327 BKVQLPIYUGPZRZ-ZDUSSCGKSA-N 366.425 2.510 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1c[nH]nc1C1CCCCC1 1565530702 MKWXHOLAADRFCE-IRXDYDNUSA-N 370.453 2.819 0 50 FFAA Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(C(=O)O)n1 170671356 ZXURFQATUYXALD-UHFFFAOYSA-N 364.405 2.637 0 50 FFAA C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1n[nH]c2c1c(-c1ccccc1)nn2C 280157947 ODKPJYYGMRJPEC-AAEUAGOBSA-N 351.410 2.907 0 50 FFAA O=S(=O)(N1CCC(N[C@H]2CCCc3occc32)CC1)C(F)(F)F 192949262 IOWMCNHNTLHHBF-LBPRGKRZSA-N 352.378 2.561 0 50 FFAA COc1cccc(CNC(=O)[C@@H]2CCCCC(=O)N2)c1OC1CCCC1 194120769 UJLVFZMIEUZNSV-INIZCTEOSA-N 360.454 2.692 0 50 FFAA CN(C)c1ccc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cn1 1529196236 WSSUIASHYVPDQX-WIYYLYMNSA-N 362.477 2.731 0 50 FFAA O[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1Cc1ccnc2ccccc12 1704342418 BZPPAXFFEVWCAO-DNVCBOLYSA-N 356.857 2.620 0 50 FFAA COc1ccc(OC)c(NC(=O)c2nnn(-c3ccccc3OC)c2C)c1 11690352 OMVQLCWZUNZSSK-UHFFFAOYSA-N 368.393 2.854 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1nccs1)C2 14746937 BMOGRPOJOGORBS-AWEZNQCLSA-N 373.526 2.633 0 50 FFAA CC(C)(N)c1cn(C2CCN(C(=O)CCCc3ccc(F)cc3)CC2)nn1 19300782 DTMSVCOIZZNBJR-UHFFFAOYSA-N 373.476 2.797 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669665 LUWQQPSEYRLWGO-MEDUHNTESA-N 360.237 2.925 0 50 FFAA Cc1nn(C)c(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c1C 1857708495 XBXOXVXJKSUVHN-UHFFFAOYSA-N 363.465 2.678 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)C(C)(C)C)C[C@]34CC[C@H]2O4)cc1 1857715719 DYSAUZDRBCIMKW-KCXPTXFHSA-N 370.493 2.777 0 50 FFAA Cc1nccc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)n1 1857719236 HSWYZWILVJYUFU-UHFFFAOYSA-N 374.448 2.827 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 237535946 XZKJAAYCKWGMQY-IUCAKERBSA-N 367.696 2.603 0 50 FFAA CC(=O)N1CCN(Cc2ccc(NC(=O)c3nc(C)sc3C)cc2)CC1 252535933 HFSDYVPYRAYUIV-UHFFFAOYSA-N 372.494 2.676 0 50 FFAA Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCC(C2OCCO2)CC1 368353943 FHVYKECLNJVDQX-AWEZNQCLSA-N 366.483 2.571 0 50 FFAA C[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1cnn(C)c1 266763669 HPTKVBBSUPJXSQ-CJNGLKHVSA-N 356.426 2.799 0 50 FFAA CCCN1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 267399982 YGQNSYIIYIZEKL-HMXCVIKNSA-N 372.557 2.928 0 50 FFAA C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(C(=O)CCc1cn[nH]c1)C2 913085715 UHAXBOQKSMOBQP-NHCUHLMSSA-N 352.482 2.713 0 50 FFAA COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccccn1 8715880 BHDNXHIKFYXBFR-UHFFFAOYSA-N 371.256 2.640 0 50 FFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C[C@@H]2CCCOC2)s1 2325781463 ROSKLRNXPITWJX-GXTWGEPZSA-N 360.483 2.904 0 50 FFAA Cc1nsc2ncc(C(=O)Nc3ccccc3N3CCNCC3)cc12 2325798999 NGUUSBUBGCIHTM-UHFFFAOYSA-N 353.451 2.662 0 50 FFAA O=C1CC[C@H](CN2CC=C(c3cccc(Br)c3)CC2)C(=O)N1 2325801443 IOHALUSZELXWGA-CQSZACIVSA-N 363.255 2.591 0 50 FFAA COc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 715333 BNIVBUBVMYIKCI-KRWDZBQOSA-N 352.390 2.955 0 50 FFAA Cc1ccc(C)c(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 787376 FUNAHHGNDJAJIU-UHFFFAOYSA-N 374.554 2.806 0 50 FFAA COC(=O)c1ccnc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)c1 114444110 PHNWXCLXTVTHCI-UHFFFAOYSA-N 371.784 2.663 0 50 FFAA C[C@@H](CCC(=O)N1CCN(C(=O)c2ccccc2)CC1)N1CCCCC1 55341865 UZAJEDGOGBYITP-SFHVURJKSA-N 357.498 2.626 0 50 FFAA COC1(OC)[C@@]2(Cl)C[C@H](OC(C)=O)[C@@]1(Cl)C(Cl)=C2Cl 100760671 FFSXDNVDSRAIPV-WQGWLQIFSA-N 350.025 2.969 0 50 FFAA O=C(NCc1cccnc1-n1ccnc1)c1cnc([C@H]2CCCO2)s1 134339849 HQICNLBYARYHOU-CYBMUJFWSA-N 355.423 2.505 0 50 FFAA c1ccc(-c2ncc(CN3CCc4[nH]cnc4[C@@H]3c3ccncc3)cn2)nc1 67803975 LIKCRWBLWZAUNV-FQEVSTJZSA-N 369.432 2.804 0 50 FFAA NCc1cn(C[C@H]2CCCN(C/C=C/C=C/c3ccc(F)cc3)C2)nn1 23581052 MGJITHODMKRYGR-QLHIAVGWSA-N 355.461 2.858 0 50 FFAA Cc1cc(C)n([C@@H](C)C(=O)NC2CCN(Cc3cccc(O)c3)CC2)n1 67674326 HXQNHWRZGRLTRZ-INIZCTEOSA-N 356.470 2.547 0 50 FFAA O=C(NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)N1CC[C@@](O)(C(F)(F)F)C1 230182217 FXELUNISUHJDRF-HWMZRRJGSA-N 354.372 2.671 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1 72143314 YMBYFUPRUVWWLP-QFIPXVFZSA-N 364.493 2.981 0 50 FFAA Cc1cc(C(=O)Nc2ccc(OCCO)c(C)c2)nc(C(F)(F)F)n1 427904196 SUTZJSOCWIUEHK-UHFFFAOYSA-N 355.316 2.736 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)[C@@H](C)C1 72407991 KXDVPQKMLPKGNA-HNNXBMFYSA-N 369.465 2.858 0 50 FFAA CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 125098007 IAAGSTOUNAKGBE-MRXNPFEDSA-N 374.916 2.930 0 50 FFAA COc1cccc(CCc2ccccc2C(=O)N2CC[C@H]3CNC[C@H]32)c1 77406521 PTUXYMYAJXFFSA-GHTZIAJQSA-N 350.462 2.914 0 50 FFAA COCCC(=O)N1CCC2(CCN(CCOCc3ccccc3)CC2)CC1 72144819 AVLXFIUAGHDFTH-UHFFFAOYSA-N 374.525 2.944 0 50 FFAA COc1ccc(OC2CCN(C(=O)CN(C)Cc3cccnc3)CC2)cc1 77377396 ONPZDYQSEKZHGB-UHFFFAOYSA-N 369.465 2.592 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 72433154 IADLFNQGCTVKFU-SFHVURJKSA-N 368.481 2.579 0 50 FFAA Cc1ccc(-c2cncc(C(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)c2)cc1 363949947 OJQGUPKSSDOSMI-RTWAWAEBSA-N 365.477 2.728 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2ccc3ccccc3n2)n1 328646543 SREHULZIZYNQJQ-KRWDZBQOSA-N 363.421 2.847 0 50 FFAA Cc1nn(CCC(=O)N2CC[C@H](C)C2)c(C)c1CCC(=O)N1CC[C@H](C)C1 328667946 DJUYRRBNYOMMQJ-HOTGVXAUSA-N 374.529 2.559 0 50 FFAA O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC(N2CCCC2=O)CC1 71752003 PAXBSMBYBCKTMO-UHFFFAOYSA-N 372.856 2.753 0 50 FFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O 363404223 KDBUKYYMXDZTIG-ZWKOTPCHSA-N 356.470 2.904 0 50 FFAA COc1ccc(Nc2nc(C(=O)N[C@@H]3CCCn4ncnc43)cs2)cc1 176134308 HOGBIRAVVWPIBV-CYBMUJFWSA-N 370.438 2.752 0 50 FFAA CCc1nc(C(C)(C)NC(=O)c2cnn(Cc3ccccc3)c2C)no1 441712112 AEVOOVOUXSOKEB-UHFFFAOYSA-N 353.426 2.850 0 50 FFAA COCCNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 13594625 JOSKKVFZAOBJHF-UHFFFAOYSA-N 363.845 2.888 0 50 FFAA CC[C@@H](C(=O)N(C)Cc1cnn(-c2cccc(OC)c2)c1)n1cccn1 72474661 OFTJEEYDXGEKHZ-SFHVURJKSA-N 353.426 2.687 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)ccn1 333329769 CKEYSMLXPUEBOL-KRWDZBQOSA-N 372.469 2.596 0 50 FFAA C[C@@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)[C@H]1CCCNC1 262600645 BZUYZTYNZOSMNY-HKUYNNGSSA-N 363.546 2.653 0 50 FFAA O=C(N[C@H](c1cccs1)C1CC1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 333952718 CSEWTDRAJLXJIY-DOTOQJQBSA-N 368.524 2.810 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1-c1ccccc1 237709814 DPUJAINLURFTAQ-INIZCTEOSA-N 356.422 2.788 0 50 FFAA CCCNC(=O)c1cn2cc(-c3cc(C)oc3C)n(CC3CC3)c(=O)c2n1 72474353 IDQRGXDHHSEEEK-UHFFFAOYSA-N 368.437 2.923 0 50 FFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccccn3)n2)C1)c1cscn1 72121053 ZWRWBBQTLHSRDI-STQMWFEESA-N 366.450 2.758 0 50 FFAA COc1cccc([C@H]2CN(C(=O)COC(C)C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72173821 HMXRNNLJGNUMRC-HMXCVIKNSA-N 358.482 2.509 0 50 FFAA Cc1ccc(N2CCN(C(=O)CN(C)Cc3cccnc3)[C@H](C)C2)cc1 77472584 URVQHCWQQNNEJO-GOSISDBHSA-N 352.482 2.559 0 50 FFAA CNC(=O)[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 47896641 XHNYWXSULYUPMR-FQEVSTJZSA-N 365.477 2.890 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)c2[nH]nc(N)c2Cl)s1 221226207 HVOJQVHNPKQECZ-UHFFFAOYSA-N 363.830 2.707 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1ccc(Cl)c(Cl)c1 426386865 GULHXSNZRVTXRS-ZDUSSCGKSA-N 367.280 2.973 0 50 FFAA COCc1cc(N2CCCC[C@H](S(C)(=O)=O)C2)c2cc(F)ccc2n1 291020999 XRVRJFFZYPORHJ-HNNXBMFYSA-N 366.458 2.924 0 50 FFAA COCc1ccc(CNC(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 291506002 OKLNQDLJWCYUOQ-OAQYLSRUSA-N 354.450 2.679 0 50 FFAA O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1onc2c1CCCC2 426545449 RVTGVWLKPMFSGO-GFCCVEGCSA-N 359.813 2.742 0 50 FFAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cc(O)c(F)c(F)c3)cc1)C2 426491024 HQSMMXFCJHSCDK-HIFRSBDPSA-N 372.371 2.688 0 50 FFAA CNC(=O)c1cc(-c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)ccc1Cl 426421084 HAZFNQRYCPZCTP-INIZCTEOSA-N 372.852 2.964 0 50 FFAA O=C1CC[C@H](CNC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 91942960 NICOFCAIFCKYAM-LLVKDONJSA-N 369.368 2.837 0 50 FFAA OCc1csc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 91974353 MOSMVPWKMDZEJF-UHFFFAOYSA-N 355.467 2.659 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 95385905 HVBLDLBXYXMSHC-KRWDZBQOSA-N 356.470 2.560 0 50 FFAA COc1ccc([C@@H](N)Cc2ncnn2Cc2ccc(C)cc2)cc1OC 95379968 ILLUPTNURBKEMD-KRWDZBQOSA-N 352.438 2.895 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N1CCC3(CCOCC3)CC1)CC(=O)N2 91745805 RAZMJFQDHMHQCM-MRXNPFEDSA-N 358.438 2.540 0 50 FFAA C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239174366 PXIGYTHFAQBCSW-MLUCZEEGSA-N 370.836 2.720 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(Cc3cccc(F)c3)CC2)n1C 91593163 GCYWUCIGEVMLSL-UHFFFAOYSA-N 368.460 2.887 0 50 FFAA COCCN(Cc1ccc(F)cc1)C(=O)c1cnc(-c2cccnc2)nc1 95357093 XHAQUHGFPJPYGX-UHFFFAOYSA-N 366.396 2.967 0 50 FFAA O=C(NCCCN1CCOCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1 96165862 SDJKOYCVSLMKAH-NRFANRHFSA-N 368.477 2.557 0 50 FFAA Cc1cccc2[nH]c(COCC(=O)N3CCC[C@@H](c4nccn4C)C3)nc12 95506995 LMRJLXAKDIDHFF-OAHLLOKOSA-N 367.453 2.528 0 50 FFAA CN(C(=O)CCc1cn2ccccc2n1)[C@H]1CCN(Cc2ccccc2)C1 97578974 UDEJRCJLIAENFU-FQEVSTJZSA-N 362.477 3.000 0 50 FFAA CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@H]21 243885768 ACCMQFBKWULOQG-KSWRQPAISA-N 354.443 2.878 0 50 FFAA biogenic CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 245325209 CZMIHNXBPHHDAS-JEWRLFTDSA-N 361.825 2.826 0 50 FFAA C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(C)CC1 182772103 NAZBVRKULPQVDY-GDBMZVCRSA-N 358.511 2.596 0 50 FFAA COC[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ccnn1C 534592134 ZSXHUQUPJRVFGT-QGZVFWFLSA-N 358.417 2.746 0 50 FFAA CCOc1ccc(-c2cccc(C(=O)N[C@@H](C)Cn3cccn3)c2)nn1 534676820 DWLKRUUFNMAGHJ-AWEZNQCLSA-N 351.410 2.557 0 50 FFAA CN(C(=O)NC1(CN2CCOCC2)CCCC1)[C@@H](c1ccccn1)C1CC1 534670046 FGOCZIKABXGESH-LJQANCHMSA-N 372.513 2.819 0 50 FFAA NCc1cccc(NC(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 299766577 FJRRSPANGSTZMQ-GOSISDBHSA-N 368.437 2.678 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)Nc1ccccc1C(F)(F)F 299779345 TXYBCNWTTYAUIZ-UHFFFAOYSA-N 352.378 2.898 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)c1cc2c(Cl)cccc2n1C 299774297 BRAVMZSFGMVXGG-UHFFFAOYSA-N 350.846 2.693 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)c1ccc(CN2CCCC2)o1 828166468 LUITWWNJJPXTSS-UHFFFAOYSA-N 350.422 2.991 0 50 FFAA COc1ccc(Cc2nc([C@@]3(C)CCN(C)C3)n(-c3ccncc3)n2)cc1 824674418 CTPOHMNQFDBYHT-NRFANRHFSA-N 363.465 2.855 0 50 FFAA Cc1cc(-c2cccc(C(=O)N[C@@H](C)CCn3cccn3)c2)c(O)nn1 584900905 OOCTWFYMWQJXCJ-ZDUSSCGKSA-N 351.410 2.563 0 50 FFAA Cc1cc(C)n(CCNC(=O)CCc2ccc(-c3cccs3)o2)c(=O)n1 827820831 BWDGSNGEZVCQHI-UHFFFAOYSA-N 371.462 2.931 0 50 FFAA COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(SC)cc1 685605914 UHZZUQXGTSXFQW-UHFFFAOYSA-N 372.556 2.530 0 50 FFAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cncc(S(C)(=O)=O)n2)cc1 1875369678 AWXIKXZLMFQZTP-KDOFPFPSSA-N 373.478 2.802 0 50 FFAA CCCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(-n3c(C)cnc3O)cc2)C1 1875267262 PGLPBYQCJIMYRO-DOTOQJQBSA-N 371.485 2.731 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCC12CCC2 1875405060 OMVPTEHVEXZISW-QMTMVMCOSA-N 358.486 2.595 0 50 FFAA O[C@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1c1ccc2c(c1)OCO2 1565526104 YPKTXASLMHAFPW-CVEARBPZSA-N 365.389 2.820 0 50 FFAA COc1cc([C@H]2C3=C(COC3=O)Nc3cc(O)ccc32)cc(OC)c1OC 167755508 VYRSDQNDUVMDPP-QGZVFWFLSA-N 369.373 2.786 0 50 FFAA Cc1nc2ccc(C(=O)NS(=O)(=O)c3cncc(Cl)c3)cc2s1 764041704 APNBUBJUEGELRX-UHFFFAOYSA-N 367.839 2.772 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@H](O)C1 171165081 GRSKNMAPHSYPTR-LLVKDONJSA-N 356.304 2.744 0 50 FFAA COc1ccc(OCCCN2CCN(CCc3ccccc3)C(=O)C2)cc1 1506405021 UGCWRKASTSNOHK-UHFFFAOYSA-N 368.477 2.851 0 50 FFAA O=C(CCN[C@@H]1CCC(=O)N(CC2CC2)CC1)Nc1cc(F)ccc1F 1506409422 XDLZWUZLLZKCKK-OAHLLOKOSA-N 365.424 2.674 0 50 FFAA O=C(NC[C@@H]1CCCO1)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 825074 CGUJCNLDNPVOBB-KTZOAPACSA-N 374.824 2.999 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616077684 GTJGYSJBUTUTNP-RDJZCZTQSA-N 368.399 2.570 0 50 FFAA Cc1ccccc1CNC(=O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772819880 WMBGYKYRPSRWGI-OAHLLOKOSA-N 371.506 2.709 0 50 FFAA CC(C)(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 12432843 DGBTUEORKAJPBT-INIZCTEOSA-N 355.442 2.783 0 50 FFAA COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 17073862 SKLJLXPEAOQCQY-UHFFFAOYSA-N 357.790 2.847 0 50 FFAA CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@H]21 169682975 ACCMQFBKWULOQG-ZOFXXKQRSA-N 354.443 2.878 0 50 FFAA biogenic O=C(NCc1nc2ncccc2o1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 1857683208 XUBHRVTYFJCSLC-LLVKDONJSA-N 370.796 2.546 0 50 FFAA O=c1cc(CN2CCc3[nH]nc(C4CC4)c3CC2)nc2ccc(Cl)cn12 1857697743 KRQNZXSYUAMHBL-UHFFFAOYSA-N 369.856 2.549 0 50 FFAA COc1ccc(-n2nc(-c3cccc(F)c3)nc2[C@H]2C[C@@H](N)[C@H](O)C2)cc1 1857726519 VOQFYHXSRGDSIW-MORSLUCNSA-N 368.412 2.648 0 50 FFAA COc1ccccc1Oc1coc2cc(OS(C)(=O)=O)ccc2c1=O 2415907 OQUFSUOCLQAVSP-UHFFFAOYSA-N 362.359 2.932 0 50 FFAA biogenic CSc1nc2nc(C)c(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(C)n2n1 225350183 IRNMFDHNQOVACF-AOLWHUPESA-N 373.526 2.946 0 50 FFAA Cn1ncnc1NC(=O)c1ccc(-c2cccc(Br)c2)n1C 151046914 RXIRCXJVGCBIPQ-UHFFFAOYSA-N 360.215 2.835 0 50 FFAA CSCC[C@@H](NC(=O)CCCn1cccc1)c1nnc2ccccn12 158709283 YHWISZRJTRDORI-OAHLLOKOSA-N 357.483 2.922 0 50 FFAA Cc1ccc(Cc2nc(C(=O)N[C@H]3CCCn4ncnc43)cs2)cc1 159149813 JVGHSTQGFFMGGH-AWEZNQCLSA-N 353.451 2.899 0 50 FFAA O=C([C@@H]1CSC(c2ccccc2)=N1)N1C[C@@H](CO)Cc2cccc(F)c21 911684151 ORBUZLSOUUFTDQ-GUYCJALGSA-N 370.449 2.886 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cnnc2)cc1Cl 4709938 NMUCGPGMZOFGMK-UHFFFAOYSA-N 356.769 2.579 0 50 FFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)n1 11697176 NIRLWXNISZSFGS-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA CC[C@@H]1C[C@@H](C(=O)N[C@H](Cc2cccc(Cl)c2F)C(=O)O)CCO1 2325793449 VDXAERSFRPCILG-OUCADQQQSA-N 357.809 2.796 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(C[C@H](O)COc2cccc(C(=O)O)c2)C3)cc1 2325803020 JGEWJLQOQWMEAN-XQBPLPMBSA-N 367.445 2.706 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Br)c2)C1 2325888681 QJBLPNYAWYSMHN-SNVBAGLBSA-N 355.207 2.951 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(SCc2cc(Cl)n(C)n2)nc1 863267117 MZCYQMFLNDOCKC-UHFFFAOYSA-N 374.919 2.791 0 50 FFAA Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(=O)n(-c2ccccc2)n1C 117559043 CDGYLPJMSJXNTN-BFUOFWGJSA-N 363.417 2.988 0 50 FFAA O=C(NCCCCN1CCC[C@@H]1CO)C1(c2ccc(F)cc2)CCCC1 131316321 QXKDJPSTRQKTPE-LJQANCHMSA-N 362.489 2.991 0 50 FFAA CCc1noc(C)c1CN(Cc1nccn1CC)[C@@H]1CC12CCNCC2 461482429 BJGPHRMUCZOVNS-GOSISDBHSA-N 357.502 2.906 0 50 FFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 786490 VQRCQNDQAWEMMF-OAHLLOKOSA-N 362.223 2.963 0 50 FFAA Cc1ccc(CNC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1134452 ZZIABSXMTCASRU-GOSISDBHSA-N 350.418 2.932 0 50 FFAA COC(=O)c1cc(NC(=S)NCCc2ccccc2)cc(C(=O)OC)c1 1153579 BURRPRGPJQFHGO-UHFFFAOYSA-N 372.446 2.789 0 50 FFAA COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O 1615344 NQWVSMVXKMHKTF-JKSUJKDBSA-N 372.417 2.992 0 50 FFAA endogenous,in-man Cn1ccnc1C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 2356144903 REWLCVJPMHQMAE-UHFFFAOYSA-N 350.422 2.606 0 50 FFAA c1ccc2c3c([nH]c2c1)C1(CCN(c2ncnc4n[nH]cc24)CC1)OCC3 2356153542 LFQYZRBRIRUMCM-UHFFFAOYSA-N 360.421 2.903 0 50 FFAA O=C(O)c1ccc(N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)nc1 2356155319 BZCIVFYKOQFDEN-UHFFFAOYSA-N 374.418 2.608 0 50 FFAA CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC(C)(C)OC2 4662562 DHINEZNPGDAXRD-UHFFFAOYSA-N 355.412 2.579 0 50 FFAA CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 4821423 YPLZHIQTPZRMHW-GFCCVEGCSA-N 366.414 2.530 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCC1 4835009 BYKCXEXJOIMRLH-UHFFFAOYSA-N 350.484 2.842 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@H](C(=O)O)C1 6731454 YVSBYFWGAAAUSZ-WOJBJXKFSA-N 370.493 2.821 0 50 FFAA CSCC[C@H](N)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 55182744 DPGMLFWRLXCSLN-KRWDZBQOSA-N 357.479 2.887 0 50 FFAA N[C@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1 416942735 SFWBGUWWUNOXNN-GOSISDBHSA-N 353.470 2.571 0 50 FFAA O=C(CN1CCC[C@H]1C(=O)Nc1nccs1)NCCC1CCCCC1 114472158 MPWXAKIZKJBXQV-HNNXBMFYSA-N 364.515 2.633 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCN(CC(F)(F)F)CC1 172156405 INPJEDLSPISBNK-HNNXBMFYSA-N 370.419 2.545 0 50 FFAA CN(CC(=O)NCC(F)(F)F)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 247988291 ZTQLYHQDLNVWFE-DGCLKSJQSA-N 371.186 2.562 0 50 FFAA C[C@H](O)CNc1nc2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248377607 HFLKBANDAROBHA-BQJWPVKWSA-N 370.497 2.770 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)CCCc2nc(-c3ccco3)no2)no1 55152878 WXCFRNWIRZMWIY-UHFFFAOYSA-N 373.413 2.860 0 50 FFAA CC1(C)C[C@@]1(CNC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1 20539414 IADMQYFZMPSOGD-OAQYLSRUSA-N 369.465 2.605 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)c1cc(COc2c(F)cccc2F)on1 67855246 UAYSHCWBCCXXDZ-UHFFFAOYSA-N 362.336 2.802 0 50 FFAA Cc1oc(-c2cccs2)nc1CN1CCC(n2cc(CN)nn2)CC1 23582213 CHSZGAZNHZZGGQ-UHFFFAOYSA-N 358.471 2.599 0 50 FFAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1cc(F)ccc1F 65363143 VDZQZJWXUQOHFB-UHFFFAOYSA-N 369.374 2.699 0 50 FFAA CCc1[nH]nc2c1CN(c1nc(-c3ccccc3)nc3c1CCNC3)CC2 67786573 KJNXIZUXLJNDAW-UHFFFAOYSA-N 360.465 2.638 0 50 FFAA O=C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)NCc1ccco1 65406828 YLXQGLRYQHQYLP-UHFFFAOYSA-N 362.857 2.923 0 50 FFAA Cc1ccc(NC(=O)CNC(=O)[C@H](c2cccc(F)c2)N(C)C)c(F)c1 65398776 SGTYHCFEROHFQQ-SFHVURJKSA-N 361.392 2.631 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)N[C@H](C)c2ncc[nH]2)co1 67691903 FQRBOMQCMVGHIW-GFCCVEGCSA-N 356.382 2.785 0 50 FFAA CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1ccc(Br)cc1 252527796 DJJSWRXPOBMRJY-WOPDTQHZSA-N 371.275 2.953 0 50 FFAA CS(=O)(=O)NC(=O)c1cccc(OCc2ccccc2OC(F)F)c1 146775993 UHHRQQOVTJYSKC-UHFFFAOYSA-N 371.361 2.556 0 50 FFAA Cc1ccc(CCN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 122399900 NVGGVISMWNIPSO-OAQYLSRUSA-N 366.417 2.776 0 50 FFAA C[C@@H](NC(=O)c1cccnc1S)[C@@H](O)c1ccc(Br)cc1 154130368 OZOANJQUIQLCCD-NOZJJQNGSA-N 367.268 2.985 0 50 FFAA COC(=O)c1sccc1-n1nnc(C(=O)OCc2ccccc2)c1C 1399459 HHELXNGESYXKGG-UHFFFAOYSA-N 357.391 2.781 0 50 FFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)CC[C@@H]1CCCOC1 328638601 PGENWUIWMXHJPL-HOTGVXAUSA-N 351.516 2.596 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 328646946 SXQZOMMEWLVIEH-RDJZCZTQSA-N 354.516 2.538 0 50 FFAA Cn1cccc1C(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1 72158163 VGWJNHMEBWKXIA-HOTGVXAUSA-N 362.437 2.640 0 50 FFAA CNc1nc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)cs1 72427834 XWSNUJOOBUXKAJ-UHFFFAOYSA-N 358.511 2.964 0 50 FFAA Cc1nc2c(c(NC3CC3)n1)CCN(C(=O)c1sc(C)nc1C)CC2 72436719 RFDNWESMSALCAE-UHFFFAOYSA-N 357.483 2.674 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccncc3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72157721 WZRZNGDZLKPFPM-NJDAHSKKSA-N 363.461 2.793 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1 219212523 WWKWFPHGSMTOEE-GSQSYGFSSA-N 350.422 2.519 0 50 FFAA Cc1c(C)c(C)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c(C)c1C 330650249 HRILUAJDTQMOCM-UHFFFAOYSA-N 362.499 2.563 0 50 FFAA O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@H](F)C[C@@H]1CO 364629031 JSHBGRLHNHYYAX-NXEZZACHSA-N 355.316 2.773 0 50 FFAA COc1ccccc1N1CC[C@@H](CNC(=O)C[C@H](O)c2cccc(F)c2)C1 155295871 UAGMJOFJVKEHBJ-KXBFYZLASA-N 372.440 2.901 0 50 FFAA Cn1cccc1[C@H]1CCCCN1C(=O)CCn1c(=O)n(C)c2ccccc21 173546397 UCXOPMRRFYNZOX-GOSISDBHSA-N 366.465 2.822 0 50 FFAA FC(F)(F)c1nc2ccccc2n1Cc1nnnn1CC1CCOCC1 333066347 UCVYMUJEJYDFGK-UHFFFAOYSA-N 366.347 2.517 0 50 FFAA C[C@@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1C(=O)O 262860373 FIAZJCLNCJQRTL-PWSUYJOCSA-N 374.418 2.722 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](N2CCC(CO)CC2)C1 72147890 YSINPPCRPLXCAC-SFHVURJKSA-N 369.465 2.651 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)o2)c(OC)c1 262061549 BEGQLVCCJPMVGB-LLVKDONJSA-N 353.758 2.896 0 50 FFAA COc1ccccc1CCC(=O)Nc1ccc2c(c1)CN(CCO)CC2 15066103 HUZSGABNSLIJKP-UHFFFAOYSA-N 354.450 2.617 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)cc(C)n1 215765207 PERSUZZECDXRGG-SFHVURJKSA-N 359.857 2.734 0 50 FFAA Nc1cc(O)nc(CCNC(=O)c2cccc(-c3ccc(F)cc3)c2)n1 219121363 DELJLKGMMXAPDZ-UHFFFAOYSA-N 352.369 2.543 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2ccccc2F)[C@H](CCO)C1 72432710 BKXBYIQTZVFTBI-GOSISDBHSA-N 358.461 2.560 0 50 FFAA O=C1CCCCN1CCCC(=O)N1CCCN(c2ccc(F)cc2)CC1 82121552 PXNHIVIRPVODQU-UHFFFAOYSA-N 361.461 2.657 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)Nc2ccc3[nH]cnc3c2)CC1=O 40285359 MRBVRSDHRZIDRT-GFCCVEGCSA-N 350.378 2.563 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C[C@@H](C)n2ccnc2C)n1 222693616 QYJGXYJAKVJMAH-LLVKDONJSA-N 355.364 2.619 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC(OCc3cccnc3)CC2)n(C)n1 82120185 UUEDWUPJRKEBRT-UHFFFAOYSA-N 356.470 2.835 0 50 FFAA CCCCN(Cc1cccnc1)C(=O)Cn1nccc1[C@H]1CCCNC1 426497024 ULSPJNASTUWDRQ-SFHVURJKSA-N 355.486 2.574 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)CSc1ncnc2sc(C)cc12 223180287 UHSRONMACCAVEK-LBPRGKRZSA-N 361.496 2.883 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H]1CCCN(c2cnccn2)C1 426484440 LCZZUKJYYMHSJF-OAHLLOKOSA-N 367.428 2.733 0 50 FFAA C[C@@H](O)c1ccc(-c2cccc(C(=O)NCCCn3ccnn3)c2)cc1 426472964 PPDKVOOGKDWGJP-OAHLLOKOSA-N 350.422 2.819 0 50 FFAA O=C(Nc1cc(F)c(Cl)cc1Cl)N1CCC[C@@](O)(CO)CC1 96152554 AUWKUKFDUDDGBA-AWEZNQCLSA-N 351.205 2.874 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2scnc2C)CC1 96180715 HWVLUPZLJBHSQO-UHFFFAOYSA-N 371.514 2.687 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cccnc3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95382184 IEOKNNSKOYASEI-NJDAHSKKSA-N 363.461 2.793 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)[C@@H]1CC(=O)OC12CCCC2 97574978 HOQCYCOVIGDNSI-HNNXBMFYSA-N 351.468 2.907 0 50 FFAA O=C(Cc1ccccc1O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91973877 XVOJLOJXLOCOBV-RBUKOAKNSA-N 364.445 2.584 0 50 FFAA CNc1cc(C)nc(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 91643975 REXZWGCLLHZWNZ-UHFFFAOYSA-N 363.469 2.851 0 50 FFAA COc1cncc([C@H](NC(=O)Cn2ccc3ccccc32)[C@H]2C[C@@H](O)C2)c1 244899623 ZMZRRUWAIATGFQ-LDBYXDLTSA-N 365.433 2.673 0 50 FFAA O=C(c1ccccn1)N1CCC(N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 244874698 XFUNJBGNFFZVPQ-SIXWZSSISA-N 371.506 2.850 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1nnc(O)c2ccccc12 607345251 VLCDRBASBHUAFB-QGZVFWFLSA-N 359.389 2.703 0 50 FFAA COc1ccc(NC(=O)N2CCN(c3cnn(C)c3)CC2)cc1OC(C)C 184217185 BYDBLHADMTWSTA-UHFFFAOYSA-N 373.457 2.570 0 50 FFAA CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3cc(O)nc(C)n3)C2)c1 299774104 GKCXFNFFUGJBRG-CQSZACIVSA-N 369.425 2.861 0 50 FFAA Cc1ccc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)cc1C 299791424 CPPRCXSMPBADMH-UHFFFAOYSA-N 366.465 2.572 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3csc(C(C)=O)c3)cc2C1 299789506 WBHWIEKWCNOHNT-UHFFFAOYSA-N 360.483 2.693 0 50 FFAA Cc1ccc(NCCCN[C@H]2CCC(=O)N(Cc3ccccc3)C2)nc1 825195215 FRTPNBZRICJJCF-IBGZPJMESA-N 352.482 2.973 0 50 FFAA Cc1ccccc1[C@@H](NC(=O)N1CCC(O)(CO)CC1)c1ccccc1 584893789 AZBHSDKZYKFOPF-IBGZPJMESA-N 354.450 2.613 0 50 FFAA CCc1ccccc1N1CCN(C(=O)N[C@H](CC)c2nc(C)no2)CC1 584893268 DKVGJINYESHSAQ-MRXNPFEDSA-N 357.458 2.923 0 50 FFAA C[C@@H](NC(=O)NC[C@]1(CO)CC12CCOCC2)c1cccc2cc[nH]c12 1875324751 LOLKUAGAYCVEDM-VLIAUNLRSA-N 357.454 2.707 0 50 FFAA CCc1cc(=O)c2cc(NC(=O)c3ccc(=O)n4c3CCCC4)ccc2[nH]1 1875315630 BUTKZWXVBWCMOY-UHFFFAOYSA-N 363.417 2.841 0 50 FFAA C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N1CCCNC(=O)C1 1875252997 HJDLKRZLRVBKPH-INIZCTEOSA-N 351.450 2.816 0 50 FFAA O=C(Nc1ccc(Cn2ccnc2)cn1)[C@@H]1CCCN(c2nccs2)C1 1875256998 WGCXRKMKEKHBPZ-OAHLLOKOSA-N 368.466 2.638 0 50 FFAA C[C@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 1875252735 MZYSLKKKMFKCAC-XUXIUFHCSA-N 364.877 2.521 0 50 FFAA CCOc1ccc(CC(=O)N2CCC[C@]23CCC[S@@](=O)(=NC)C3)cc1 1875395812 MTCJPSYYSDETGE-CLOONOSVSA-N 364.511 2.881 0 50 FFAA O=C(N[C@H]1CCC[C@H](C(=O)O)C1)c1sc(N2CCCC2)nc1Cl 1875323379 GJDPGZLZPHTEGW-UWVGGRQHSA-N 357.863 2.770 0 50 FFAA COC1([C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2O)C(=O)O)CCC1 1875322926 NYBYFFBSDGBGGO-KRWDZBQOSA-N 371.389 2.937 0 50 FFAA COc1ccc2ccc(NC(=O)N[C@@H]3CCn4c(C)cnc4C3)cc2n1 1875330600 VAYVIVGBCXPTKZ-OAHLLOKOSA-N 351.410 2.885 0 50 FFAA CC[C@@](CNC(=O)c1cccc2c1COCC2)(C(=O)O)c1ccccc1 952886719 BSKANYCRYHVYPN-NRFANRHFSA-N 353.418 2.922 0 50 FFAA Cn1ccc(C(=O)N2CC[C@]3(CCCC[C@@H]3NC(=O)[C@@H]3CC3(C)C)C2)c1 1875407843 IWMWMDJDJTZBFN-XGHQBKJUSA-N 357.498 2.962 0 50 FFAA O=C(Cc1ccoc1)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875403017 OXAWTYCRNYLVIN-QXAKKESOSA-N 365.433 2.642 0 50 FFAA O=C(NCC1CCN(C(=O)CN2CCCCCC2)CC1)c1ccsc1 952977727 OWAMTFHDQDXSKM-UHFFFAOYSA-N 363.527 2.593 0 50 FFAA COCCC(=O)N1CCC(NC(=O)c2ccc(C)c(Cl)c2F)CC1 278854359 YHKFPDFAUFFMOD-UHFFFAOYSA-N 356.825 2.545 0 50 FFAA Cn1c(S)nc2cc(C(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)ccc2c1=O 170597189 INEOFVBPQITCHE-DOOHLRMFSA-N 369.490 2.873 0 50 FFAA Clc1cnccc1N1CCN(Cc2cc(Br)no2)CC1 170610782 VJBIIUOGTFUIPM-UHFFFAOYSA-N 357.639 2.808 0 50 FFAA COc1ccccc1NC(=O)C[C@H]1SC(N2CCCCCC2)=NC1=O 761784406 CQIOWAYRVPZNAK-OAHLLOKOSA-N 361.467 2.898 0 50 FFAA c1ccc(COc2ccc(CN3CCN([C@@H]4CCNC4)CC3)cc2)cc1 97076295 XIVSNJSQPVFTFK-OAQYLSRUSA-N 351.494 2.745 0 50 FFAA CCNC(=O)c1ccnc(NC[C@H](c2cccnc2)N2CCCCC2)c1 1704304198 LCTJYADRRCIMHO-GOSISDBHSA-N 353.470 2.865 0 50 FFAA Cc1c(-c2nccn2-c2ccc(N(C)C)nc2)c(=O)n(-c2ccccc2)n1C 1772809081 LRNFQUISMRSROR-UHFFFAOYSA-N 374.448 2.798 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 11933766 IJCLOUSWXJYEHV-AWEZNQCLSA-N 352.381 2.588 0 50 FFAA CCN(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F 11936346 IEKOLKNNKKVHAT-UHFFFAOYSA-N 353.463 2.704 0 50 FFAA O=C(CC[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1)N1CCCC1 12300310 JPEUCDDFYUHJNI-GOSISDBHSA-N 367.497 2.882 0 50 FFAA O=C(N[C@H]1CC(=O)N(CC2CCCCC2)C1)c1ccccc1-c1ncc[nH]1 12300482 DLYFVMDKMGKLIK-INIZCTEOSA-N 366.465 2.988 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@H]3c3ccccn3)n[nH]2)n1 12300712 TWJLEFYPXAZXQI-SFHVURJKSA-N 350.426 2.644 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(F)cc3Cl)C2)CC1 12438887 WIZSFDJQZNPZSB-AWEZNQCLSA-N 353.869 2.768 0 50 FFAA O=C(CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1)N1CCCC1 12469418 NJFUEOXDLVKLKM-MRXNPFEDSA-N 372.465 2.713 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3sccc3C)CC2=O)cc1 12473471 ROIDFRIJOMGSOP-HNNXBMFYSA-N 358.463 2.639 0 50 FFAA COCCN1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 13811671 LVVJXYQIMUXJTH-UHFFFAOYSA-N 350.422 2.751 0 50 FFAA COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)c1 13944108 VWODYDRYTSEHCS-GFCCVEGCSA-N 358.369 2.835 0 50 FFAA O=C(Cn1ncc2ccccc21)NC[C@H]1CC(Cc2cccc(F)c2)=NO1 19111413 GLPRJUWNWHFKAA-GOSISDBHSA-N 366.396 2.679 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cn1 1857705427 GWHAPXPQBZEGEF-UHFFFAOYSA-N 372.446 2.854 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)C[C@H]21 1857710613 HFEVRXUCTAEYMS-FHKFTOANSA-N 372.421 2.880 0 50 FFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)NCC4(C)COC4)C3)nc2c1 1857726750 AVXHHEBPSWBLCP-AWEZNQCLSA-N 373.453 2.596 0 50 FFAA COc1ccc(CCCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1 1857730523 QRVINVGDZGYOEU-GPQLQYNLSA-N 372.509 2.586 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 416521982 IHBYITKJTVPMTF-JKIFEVAISA-N 373.902 2.996 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1cncnc1)CC2 328644593 RWTBBDHQCZTIMW-SFHVURJKSA-N 356.495 2.941 0 50 FFAA CC(C)N(CC(F)F)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 134597802 GXNQTCYQKXNXAG-UHFFFAOYSA-N 355.790 2.775 0 50 FFAA O=C(Nc1cccc(C(=O)N2CCC3(CCOCC3)C2)c1)c1cccnc1 266468890 KIJYBXHCRCSQOF-UHFFFAOYSA-N 365.433 2.977 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 911246474 SXCPTLJNZHPSFZ-LJQANCHMSA-N 372.856 2.572 0 50 FFAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(Br)c(Cl)c1 20614682 QVFJHJAIYSZHCE-UHFFFAOYSA-N 358.579 2.787 0 50 FFAA C[C@H](c1ccccc1Br)n1cc(CO[C@H]2CCCNC2)nn1 2325772696 RVHVJJBAIGCNAQ-OCCSQVGLSA-N 365.275 2.919 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)c1cc([C@H](O)c2ccc(F)cc2)on1 2325776454 NTCGKDBMTFKPFY-QGZVFWFLSA-N 356.309 2.876 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1cc2c(o1)CCCC2 2325785501 BQDZYPGOAZQHSO-NILFDRSVSA-N 363.845 2.578 0 50 FFAA CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1CC[C@@H]2COCC[C@@H]2C1 2325827005 ROIYOAMMJLCVMM-UTSKFRMZSA-N 368.543 2.646 0 50 FFAA CCCN(CCC)CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC 2325868131 PQTUTBQGUZEMSP-BCDXTJNWSA-N 351.535 2.937 0 50 FFAA CCCCC[C@H](O)C(=O)Nc1cccc(NC(=O)c2ncccc2N)c1 2325872012 DWJUHSRHEUTQSU-INIZCTEOSA-N 356.426 2.796 0 50 FFAA Cc1cc(C(=O)N(C)CC(C)(C)CNC(=O)c2cnsc2)ccc1O 2325878241 IQURBRSOYBBAPC-UHFFFAOYSA-N 361.467 2.685 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC(c2ccc(Br)cc2)CC1 861541012 SPLUTRUJRNFVSU-UHFFFAOYSA-N 365.271 2.800 0 50 FFAA CC(C)c1cc(C(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)n(C)n1 119116596 HJRJDSLXRMHGJE-HNNXBMFYSA-N 367.515 2.506 0 50 FFAA COC(=O)c1cc(OC)c(OCc2cc(C(=O)OC)oc2C)c(OC)c1 1028402 JRLFAEZVPPLCKW-UHFFFAOYSA-N 364.350 2.757 0 50 FFAA Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)o1 1159740 ZXVSZEBWYFWCND-OAHLLOKOSA-N 350.168 2.763 0 50 FFAA CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 2694819 LCFPRAUDLDDDIL-UHFFFAOYSA-N 353.450 2.518 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(CN3CCCC3)o2)C1=O 2356159630 KDKCSLKUIDSFQR-OAQYLSRUSA-N 373.497 2.881 0 50 FFAA O=C(NCCOCCO)c1ccc(-c2cnc3cccc(F)c3c2)cc1 2356170940 QSHBOJVYCHPEJO-UHFFFAOYSA-N 354.381 2.780 0 50 FFAA CCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 4809068 LGQNNGWMFRBINW-UHFFFAOYSA-N 357.362 2.911 0 50 FFAA CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1O 6701042 YREOUTRVJCIWQA-UHFFFAOYSA-N 358.423 2.672 0 50 FFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(-n2cccn2)n1 225489865 RVYOOROVDFPLFX-INIZCTEOSA-N 350.426 2.851 0 50 FFAA O=C(NCc1nccs1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 111473429 XMKZIXXYRQLHOJ-GFCCVEGCSA-N 366.437 2.885 0 50 FFAA COc1ccc(NC(=O)NCc2cc(Br)cnc2N)cc1 225837816 UZPATUKDZHQFBI-UHFFFAOYSA-N 351.204 2.757 0 50 FFAA Cc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)o1 23375358 UZHYLUQXKPELBO-INIZCTEOSA-N 354.454 2.533 0 50 FFAA O=C(O)COc1ccccc1CN1CCN(Cc2cccc(F)c2)CC1 63834043 PMSHLKTYWNCPJE-UHFFFAOYSA-N 358.413 2.607 0 50 FFAA N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 3778392 QMRJOIUGPCVZPH-UHFFFAOYSA-N 373.416 2.714 0 50 FFAA in-man CCc1nc(Cn2nc(C3CCNCC3)n(-c3ccccc3)c2=O)cs1 67691251 PMMPVCXLVOFKNL-UHFFFAOYSA-N 369.494 2.568 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)Cc2noc3ccccc23)s1 23581540 QWSRGRSMVLUFKE-ZDUSSCGKSA-N 355.419 2.894 0 50 FFAA C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc2c(c1)CCC(=O)N2C 119793332 MFCRNHSKRLWZJQ-HNNXBMFYSA-N 363.461 2.777 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(F)(F)CC1 405095159 QIPRHWLRCRKGPT-AWEZNQCLSA-N 351.353 2.604 0 50 FFAA O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc(Cl)s1 67820601 UBQPARUMJBRSNI-CYBMUJFWSA-N 351.859 2.600 0 50 FFAA CC[C@H](C(=O)N1CCCCC1)N(c1cc(C)ccc1C)S(C)(=O)=O 65361868 CWVNPKFXOIDYGY-MRXNPFEDSA-N 352.500 2.861 0 50 FFAA CN(C)CCCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 2775095 IGQWVEKZWBKBDN-UHFFFAOYSA-N 352.788 2.501 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(C)Cc3cccc4ncccc34)cnc21 77322196 NOYOGGGLCVDKAV-UHFFFAOYSA-N 360.421 2.854 0 50 FFAA COc1ccc2[nH]nc(CN3CCN(c4ncnc5ccccc45)CC3)c2c1 72166339 XCZXGIIEZRUPPK-UHFFFAOYSA-N 374.448 2.837 0 50 FFAA O=C(NCCCn1cncn1)c1cc(-c2ccncc2)nc2ccccc12 31443411 FITYHMYNRSKIAL-UHFFFAOYSA-N 358.405 2.708 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(-c2cccs2)on1 328996951 WOWYCTXMVZZEDZ-ZDUSSCGKSA-N 358.423 2.957 0 50 FFAA O=C(COc1ccc2ccccc2c1)NC1CCN(C[C@H]2CCCO2)CC1 218895205 UUQSQQDVJZHTQE-OAQYLSRUSA-N 368.477 2.978 0 50 FFAA O=C1OC2(CCN([C@@H]3CCCOC3)CC2)CN1CCOc1ccccc1 72474470 ANQXRTMFKRMGMU-QGZVFWFLSA-N 360.454 2.531 0 50 FFAA Cc1ccc(NC(=O)c2cc(C3CCCCC3)n[nH]2)cc1S(N)(=O)=O 123648375 BCOJMWOXUDJSDL-UHFFFAOYSA-N 362.455 2.666 0 50 FFAA COc1ccc(CCC(=O)N2CCC(c3ccncn3)CC2)cc1OC 215352260 MEFRPHJLAZSEBQ-UHFFFAOYSA-N 355.438 2.833 0 50 FFAA C[C@@H]1CCCN(CCCOc2ccccc2CN2CCNC(=O)CC2)C1 215032715 MXNWTUILDMSADZ-GOSISDBHSA-N 359.514 2.509 0 50 FFAA Cc1nc(CCC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)n[nH]1 72447883 YMXCGOXDVWTVBY-OAHLLOKOSA-N 356.405 2.815 0 50 FFAA O=C(Nc1cccnc1N1CCCC1)N1CCC(Nc2cccnn2)CC1 172686276 DHNXWWSGDXQEKU-UHFFFAOYSA-N 367.457 2.580 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCN(C(C)C)[C@H](CCO)C3)c2)n1 39394048 LGKYVKJUBPRICP-OAQYLSRUSA-N 356.514 2.766 0 50 FFAA Cc1cn2cc(CNC(=O)[C@@H]3CCCN3Cc3ccccc3)nc2s1 219304584 UWPZWPNIDUQATH-KRWDZBQOSA-N 354.479 2.985 0 50 FFAA COc1cccc(CN2CCC[C@@H](NC(=O)c3cn4ccsc4n3)C2)c1 72447068 JHKKSEXLFAJAQW-OAHLLOKOSA-N 370.478 2.799 0 50 FFAA O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1ccccc1-c1nc[nH]n1 72162528 PZDNQUVXPFBREU-AWEZNQCLSA-N 367.453 2.525 0 50 FFAA Cc1cc(C)n(CCNC(=O)c2oc3c(C)c(C)ccc3c2C)c(=O)n1 77440788 MNBBZAHTBPENGM-UHFFFAOYSA-N 353.422 2.962 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(nc2OC)CCC3)C1 77388336 XCTZEKWDJULCMF-OAHLLOKOSA-N 354.454 2.884 0 50 FFAA CCNc1ncc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 72147177 FPHPVSLHQDFEEY-KRWDZBQOSA-N 371.460 2.784 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)[C@@H](C)C1 72411348 HWRWCYZNPZYAJP-NSHDSACASA-N 368.359 2.788 0 50 FFAA CN(Cc1cccc(OCC(N)=O)c1)Cc1cnn(-c2ccc(F)cc2)c1 72124242 JTWQQOPKMPOEDX-UHFFFAOYSA-N 368.412 2.508 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3c(C)nc(N)nc3C)C2)c1 72454554 YGIZNMRXBOAVNC-KRWDZBQOSA-N 368.481 2.844 0 50 FFAA CCc1nsc(N2CCN(CCCc3nc4ccccc4o3)CC2)n1 174323142 QSHQSBDNFJCMKQ-UHFFFAOYSA-N 357.483 2.997 0 50 FFAA COc1ccc(OC[C@@H](O)CN2CCN(c3c(C)cccc3C)CC2)cc1 20405471 URLHTCYFPUSOPZ-IBGZPJMESA-N 370.493 2.874 0 50 FFAA Cc1nnc(N2CCC(c3nnc(CN(C)C)n3C)CC2)c2ccccc12 82116255 PLWAHGSWVVWSPB-UHFFFAOYSA-N 365.485 2.512 0 50 FFAA C[C@H](NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cnn(C)c1 287340857 FISWYTUAPUTUGH-PIKADFDJSA-N 354.454 2.695 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)N(Cc3ccncc3)C3CC3)c2)n1 426521150 DLGUKNDPIIKXQC-UHFFFAOYSA-N 363.425 2.952 0 50 FFAA Nc1nc(=NCc2ccc(C(F)(F)F)cc2F)cc([C@@H]2CCOC2)[nH]1 426634060 UQZRRGZTTYAAAD-SNVBAGLBSA-N 356.323 2.755 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCC(c2n[nH]c(C)n2)CC1 426571611 NTADCZQYNUVOEC-UHFFFAOYSA-N 366.469 2.822 0 50 FFAA CN1CCC(Cc2nc(-c3ccnn3C)n(Cc3ccccc3)n2)CC1 95507583 KCDZXRHRHYIGFZ-UHFFFAOYSA-N 350.470 2.611 0 50 FFAA CN(C)C[C@@H]1CN(Cc2cnn(-c3ccc4ccccc4c3)c2)C[C@@H]1CO 91656771 SJTOMVPZRFLKOA-NHCUHLMSSA-N 364.493 2.627 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)c1 179844525 TYDLDWGQYUDTLN-UHFFFAOYSA-N 365.886 2.550 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)c(F)c1)CC2 91626339 VKNGSDVMGDEYSB-UHFFFAOYSA-N 356.445 2.867 0 50 FFAA COc1ccc(Cn2cc(-c3ccc(C(=O)N4CCOCC4)o3)cn2)cc1 96165412 SEJMHKXVVUFVHI-UHFFFAOYSA-N 367.405 2.672 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(Cl)cc1C)C2 95375383 HHOTWQBAFCGEKT-NVXWUHKLSA-N 366.889 2.596 0 50 FFAA O[C@H](COc1ccc(CN2CCC(F)CC2)cc1)CN1CCCCC1 95508539 JKOXKIAUGIXKQJ-IBGZPJMESA-N 350.478 2.846 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(c2ccncc2)CC1 91663702 HCFUCDPKPVNSPU-UHFFFAOYSA-N 351.458 2.630 0 50 FFAA Cc1nnc(CN(C)Cc2ccc(OCc3ccc(C(=O)O)o3)cc2)o1 97797502 WDLMGKMHBXAWMR-UHFFFAOYSA-N 357.366 2.880 0 50 FFAA OCc1csc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95358962 MAVBJZKMLPNICL-LBPRGKRZSA-N 361.496 2.721 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCc1noc(Cc2cccs2)n1 95504298 KZCQSMGRZCPGDW-GFCCVEGCSA-N 359.455 2.919 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239175828 QRJMXOZJNLNEDV-HXXCKNJQSA-N 364.445 2.685 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)cc1 95356077 HOEOVNWFPPIJEF-LJQANCHMSA-N 356.470 2.770 0 50 FFAA O=C(CCNC(=O)N1CCN(C2CCCCC2)CC1)Nc1ccccc1 140440066 OFZJYKKUZIBABT-UHFFFAOYSA-N 358.486 2.675 0 50 FFAA Cc1nn(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)c(C)c1C 97495459 DGWOVWOYIXUZGK-IBGZPJMESA-N 358.461 2.901 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(-c3cccs3)nn2C)C1 95504897 PLZSNSPFGPAEJY-ZDUSSCGKSA-N 355.467 2.902 0 50 FFAA CCN(CCn1cccn1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 97694627 BJHCPASQOZOFCA-UHFFFAOYSA-N 369.469 2.982 0 50 FFAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2scc3c2CCCC3)C1 91320289 QCZWECNQEHWGAO-GOSISDBHSA-N 351.468 2.970 0 50 FFAA CN1CCC[C@H](CCC(=O)NCCc2csc(-c3ccncc3)n2)C1 91586159 RIVYGDSVLVWXMT-OAHLLOKOSA-N 358.511 2.986 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1)n2C 97657240 OITFTFAFMGGWCZ-IBGZPJMESA-N 361.445 2.670 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91849265 AOCRBRFLCMODAZ-DLBZAZTESA-N 367.401 2.593 0 50 FFAA Cc1ccnc([C@@H](NC(=O)CCn2c(CO)nc3ccccc32)C2CC2)c1 97797331 IAAVLDDRUDFRLQ-NRFANRHFSA-N 364.449 2.890 0 50 FFAA Cc1ccc(-c2nc([C@@H](c3cccnc3)N3CCCC3)n(CC(=O)O)n2)o1 97679864 DMRWIKJIWHVNOE-QGZVFWFLSA-N 367.409 2.511 0 50 FFAA CCn1ncnc1[C@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CC1 91745991 QUHOJHUBEDSVOY-LJQANCHMSA-N 351.454 2.997 0 50 FFAA Cn1cccc1C(=O)C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 91737466 YYCRGBZYBIZFMD-OAQYLSRUSA-N 368.433 2.808 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)c1 243892941 AMISGBMMAJOMRT-SHTZXODSSA-N 366.425 2.591 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1n[nH]cc1Cl 244773700 PEXWFAIYLVPCSZ-GHJWDPDVSA-N 356.813 2.853 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]2C[C@@H](O)C2)cn1 252535703 GPOKPLMPUFAJBG-VGTOOOLASA-N 366.339 2.750 0 50 FFAA O=C(CCn1nnc2ccccc21)NCC1(c2ccccc2)CCOCC1 299766942 FBNRIAHSHIKKBV-UHFFFAOYSA-N 364.449 2.686 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12 100001918 HMJIYCCIJYRONP-MRXNPFEDSA-N 371.393 2.582 0 50 FFAA biogenic,fda Cn1nc2cccc(NC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)c2n1 299780211 RLGHCRPCHWYNGR-HNNXBMFYSA-N 366.425 2.576 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCn2nc([C@@H](C)O)cc2C1 827974968 OTOOGDMOWDVOBR-OAHLLOKOSA-N 352.438 2.632 0 50 FFAA Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@@H]3CN(C(=O)C4(C)CC4)C[C@H]32)c1Cl 1875405980 UASBVHUBQVLTCZ-GMTAPVOTSA-N 355.269 2.573 0 50 FFAA NC[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(=O)O)Cc1ccccc1 1875298678 JHXFKHUXNLLCJN-PKOBYXMFSA-N 372.440 2.535 0 50 FFAA O=C(N=c1cc(-c2ccccn2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875342385 OYLIVJOXBLXKGN-UHFFFAOYSA-N 359.393 2.782 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CN[C@H]2CCOC[C@H]2C1 1875305034 CXCYWXHTVYHOHG-LZWOXQAQSA-N 356.388 2.678 0 50 FFAA CCOC(=O)C[C@@H](NC(=O)c1cc(C(N)=O)ccc1C)c1ccc(F)cc1 1875310236 JWHWNPXPQNLMDN-QGZVFWFLSA-N 372.396 2.657 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)n[nH]c21 1875394595 OMRHIDFLMSYOAZ-NEPJUHHUSA-N 369.400 2.687 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CC(=O)OC23CCCC3)cc1 952988752 PBIXPXWYCRERLN-GOSISDBHSA-N 358.482 2.761 0 50 FFAA CC(C)Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)nc(N)n1 952868553 CAOUVWQRZDCSIL-UHFFFAOYSA-N 368.437 2.791 0 50 FFAA O=C(NCc1cccnc1-n1cncn1)c1ccc([C@H]2CCCO2)s1 952974251 VNEXASHYBMDJDV-CYBMUJFWSA-N 355.423 2.505 0 50 FFAA CO[C@@H]1CCCCN(CC(=O)Nc2c(C)noc2-c2ccccc2)C1=O 886074657 LPTWAEUANBLETO-OAHLLOKOSA-N 357.410 2.616 0 50 FFAA Cc1nc2c(c(N[C@H]3CCOC[C@@H]3OCc3c(C)noc3C)n1)CCC2 1565511550 SVAIRBRJNOKAKE-ROUUACIJSA-N 358.442 2.665 0 50 FFAA Cn1ccnc(N2CCC[C@H](NCc3cc4ccccc4s3)C2)c1=O 275700328 XMNNSQNOXLJQEK-HNNXBMFYSA-N 354.479 2.754 0 50 FFAA O=C(c1csc([C@H]2CCCO2)n1)N1CC[C@H](OCc2ccncc2)C1 170692588 KTCPIBSZVZVMSP-GOEBONIOSA-N 359.451 2.821 0 50 FFAA O=C1NCCN(C(=O)c2cccs2)[C@@H]1c1ccc(OC(F)(F)F)cc1 190618644 YKIUTDHXSLPNOR-CYBMUJFWSA-N 370.352 2.960 0 50 FFAA Cc1nc(CN2CC[C@H](O)[C@@](Cc3ccccc3)(C(=O)O)C2)sc1C 1704337015 PXSSYSQGINCHAW-LPHOPBHVSA-N 360.479 2.640 0 50 FFAA CN1CCC[C@@H](C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)C1 1704331686 SGBSZFVRVPJOMG-MRXNPFEDSA-N 367.493 2.900 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)CCc3ccc(F)cc3F)CCN21 1616076993 CXHPEZFPDPIVKD-SJORKVTESA-N 352.425 2.609 0 50 FFAA C[C@H]1CN(CCOc2ccc(I)cc2)C[C@H](C)O1 20167017 ZEQXPDFQTNUXDF-RYUDHWBXSA-N 361.223 2.779 0 50 FFAA O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCCCC1 5268975 XNXQBARWOUMRSP-UHFFFAOYSA-N 354.454 2.610 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2ccccc2[nH]c1=O 11532601 TXXCXMYGDFWKSK-UHFFFAOYSA-N 358.401 2.686 0 50 FFAA Cc1ccccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 12200905 MUCNOTGHBFAVQM-QGZVFWFLSA-N 369.509 2.590 0 50 FFAA CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 13944115 UNBXBXDVSIZRSD-NVXWUHKLSA-N 357.454 2.789 0 50 FFAA CC(=O)N1CCN(c2ccc(-c3nc(-c4ccccc4F)no3)cn2)CC1 19771419 VPDJOOMVZUEJJD-UHFFFAOYSA-N 367.384 2.606 0 50 FFAA CCc1noc(-c2cccn3c(CNC(=O)C4CCCCC4)nnc23)n1 169776218 SYEMZYCCFIYVPP-UHFFFAOYSA-N 354.414 2.538 0 50 FFAA Cc1c[nH]c(CN2CCc3nn(C)c(-c4ccccc4)c3CC2)c(C)c1=O 1857670992 JXMQEYALVDNAGA-UHFFFAOYSA-N 362.477 2.993 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cccc(OCCN2CCOCC2)c1 1857671361 UUZJHTIUMZNMLL-NNWRFLSQSA-N 374.525 2.523 0 50 FFAA O=C(O)[C@H]1CN(CC2CCCCC2)CC12CCN(Cc1cnc[nH]1)CC2 1857686077 GWUZTSNWHCKJQS-GOSISDBHSA-N 360.502 2.589 0 50 FFAA COc1ccccc1CCNC(=O)[C@]1(Cc2cscn2)C[C@@H]2CC[C@H]1N2 1857693379 UQWPPHLKBINHMC-CVAIRZPRSA-N 371.506 2.564 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H]1C[C@@H]3CC[C@H]1O3)CC2 1857696606 ISXCGBMLQVMQJI-VDZJLULYSA-N 351.450 2.582 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(Cc3cnn4cccnc34)CC2)O1 1857697095 VEDBYUVFUIBEGA-IAGOWNOFSA-N 358.486 2.650 0 50 FFAA O=C(NCCCc1nc2ccccc2s1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857737649 XASAJPHYHRTWOT-NUEKZKHPSA-N 359.495 2.502 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccccc1F 247891200 YQVHUKURZIXQSB-QAPCUYQASA-N 367.424 2.526 0 50 FFAA CC(=O)Nc1ccc(CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 461913810 IKTWFOGXZKKUPW-INIZCTEOSA-N 368.437 2.854 0 50 FFAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 261720693 LNRJJQANVXKOFL-OAHLLOKOSA-N 371.828 2.515 0 50 FFAA O=C1CN(C2CCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCCO2 264922708 NBEDKYUHNLGXBE-UHFFFAOYSA-N 350.802 2.818 0 50 FFAA CC1(C)[C@H](NC(=O)c2cccc(-c3cnco3)c2)C[C@H]1N1CCOCC1 828172139 SSNRZTOJMUAPFH-QZTJIDSGSA-N 355.438 2.571 0 50 FFAA CCN1CC[C@H]2OCCN(Cc3cnc(N(C)C)c4ccccc34)[C@H]2C1 930576670 GICYYNWKZVTFFK-VQTJNVASSA-N 354.498 2.596 0 50 FFAA O=S(=O)(NCCCN1CCCCC1)c1ccc(Br)cc1 10279126 GQRNDIKEAYGOQK-UHFFFAOYSA-N 361.305 2.603 0 50 FFAA COc1c[nH]nc1-c1nc([C@@H]2CCOC2)nn1Cc1ccc(F)c(F)c1 2325876070 JVJSWQHNLAWGIZ-LLVKDONJSA-N 361.352 2.507 0 50 FFAA C[C@@H](NCc1ccc2c(c1)C(=O)NC2)C(=O)Nc1cccc2ncccc12 2325898875 AZWMOXMPHQTNHZ-CYBMUJFWSA-N 360.417 2.595 0 50 FFAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 758750 AIHBXYIYQKPUFF-PWSUYJOCSA-N 363.266 2.864 0 50 FFAA COc1ccccc1N1CCN(c2nc3ccccc3n3c(C)nnc23)CC1 1156296 XHEVJBHVHWOMTH-UHFFFAOYSA-N 374.448 2.921 0 50 FFAA O=C(c1ccc2ccccn12)N1CCc2nc(-c3ccccc3)nn2CC1 2356136604 AXHKAIGHJWHXTR-UHFFFAOYSA-N 357.417 2.896 0 50 FFAA CC(C)CC(=O)N1CCCCN[C@H](c2ccccc2)CC(=O)NCCC1 2356161067 DZAPIHDKRGOILY-IBGZPJMESA-N 359.514 2.882 0 50 FFAA CC(=O)O[C@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 4535999 NHSSJNVMAAOQIR-IBGZPJMESA-N 356.397 2.779 0 50 FFAA COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 6085408 KBGZXDHZUCVOCX-UHFFFAOYSA-N 374.462 2.735 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1C 6742662 ZLXVFZVLWTWVPS-UHFFFAOYSA-N 373.478 2.842 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(-c4ccccn4)no3)CC2)c1 462037343 BILGZUNWWFGLCD-UHFFFAOYSA-N 364.405 2.708 0 50 FFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1nc2ccccc2[nH]1 100624234 CFPJFOWTBDQVFV-UHFFFAOYSA-N 369.421 2.924 0 50 FFAA O=C(NC[C@H](CO)[C@@H]1CCOC1)c1c(-n2cccc2)sc2c1CCCC2 225485366 REMSSGKDLINBHH-HUUCEWRRSA-N 374.506 2.792 0 50 FFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccco4)c(=O)n1c23 100663086 DQFXWNIWPSXMTC-SNVBAGLBSA-N 356.353 2.876 0 50 FFAA Cc1ccc(-c2c[nH]cc2C(=O)NCCN2CCN(C)C(C)(C)C2)s1 281749195 KNSSVFPJPWAURA-UHFFFAOYSA-N 360.527 2.807 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101225997 PTPFZUPHZHYKCL-KCQAQPDRSA-N 370.902 2.719 0 50 FFAA O=C(CNC1(c2ccc3c(c2)OCCO3)CCCC1)Nc1ccncc1 113930436 WJGXZBZGXOSELW-UHFFFAOYSA-N 353.422 2.850 0 50 FFAA O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)N1CCC[C@@H]1CO 118544452 PIIOFMHLCKSBEB-MRXNPFEDSA-N 374.462 2.649 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C)ccc2C)CC1 25271731 BKGMCLBPPCGBDR-HNNXBMFYSA-N 352.500 2.542 0 50 FFAA C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)N2CCCCCC2)CC1 116357865 VRVXQTYRJBLWTB-QGZVFWFLSA-N 365.543 2.922 0 50 FFAA CCc1nc(C)sc1CNC(=O)c1cccc(N2C(=O)CCC2=O)c1 67868314 LMUSIILAFACWBX-UHFFFAOYSA-N 357.435 2.597 0 50 FFAA C[C@@H]1CCCC[C@H]1OCC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 252515542 LGEYFMBYOHCZJM-FHLIZLRMSA-N 362.445 2.985 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCc2sccc2C1 11840100 WCVCZYNVUBIQCC-HXUWFJFHSA-N 374.481 2.799 0 50 FFAA CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1C 12441926 OKFDVSNWGYOVJM-UHFFFAOYSA-N 370.501 2.902 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cc1 65398340 DAXNWHUGCYKJFO-INIZCTEOSA-N 358.463 2.580 0 50 FFAA CC[C@H](C)NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 33088436 ZOCBQDXVCMDLOF-QMMMGPOBSA-N 353.304 2.931 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cnn2cccnc12 72168822 ANODEYBXIIFQSF-MRXNPFEDSA-N 369.856 2.777 0 50 FFAA Cc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1 72474465 QECFZFQLMKTUCR-LEWJYISDSA-N 355.526 2.808 0 50 FFAA CC(=O)NCc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc32)s1 153134742 XSGRHRASKBJBQB-UHFFFAOYSA-N 370.883 2.789 0 50 FFAA Cn1ccnc1[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)C1CC1 77375600 PLKBSVYWDBBELS-HNNXBMFYSA-N 350.382 2.534 0 50 FFAA O=C1C[C@H](C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCN1 367629042 JDNVMORMTKAXLX-VHDGCEQUSA-N 354.372 2.984 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71754614 VOEUOFCUZWYCQQ-CQSZACIVSA-N 371.391 2.888 0 50 FFAA Cc1nc(NCCNC(=O)c2cccc(F)c2)cc(-n2cnc(C)c2C)n1 72437251 ZRWCTYKESBSJGC-UHFFFAOYSA-N 368.416 2.569 0 50 FFAA CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1CCNC1 237199559 LCGUNBARSNWELB-GOSISDBHSA-N 354.450 2.712 0 50 FFAA Cc1ccc(CN2CCN(Cc3cccc4nonc34)CC2=O)cc1C 72165293 GUPHCMIBAMSLDB-UHFFFAOYSA-N 350.422 2.684 0 50 FFAA COCc1cccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 371614840 DQYSYLDYKCXVEZ-INIZCTEOSA-N 356.426 2.534 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NCc2noc([C@H]3CCCO3)n2)c1 72426554 PPIRQGOVZWJWHJ-OAHLLOKOSA-N 359.426 2.555 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1ccc(Cn2cccn2)o1 216293237 KJZCGQHEGFXGLT-UHFFFAOYSA-N 357.439 2.511 0 50 FFAA Cc1cccc(C(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c1 72437330 QTYKJNFUFPVVTH-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA CN(C)C1CCN(c2nc(CCc3ccccc3)nc3c2cnn3C)CC1 72158783 UWGJOIZLBYTEMA-UHFFFAOYSA-N 364.497 2.679 0 50 FFAA CCCn1ccc2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc21 175273817 IXPUJWAQMAYRII-INIZCTEOSA-N 363.483 2.804 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@H]2CCCCN(Cc3[nH]cnc3C)C2)cs1 82134195 DHJTTYIDCDNGRI-INIZCTEOSA-N 374.510 2.696 0 50 FFAA O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1Cc1ccccn1 40388291 ULNQHMSSJYUJLE-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1cnn(C)c1C)CC2 426424435 YSXABAHUKFVEDO-WSTZPKSXSA-N 356.470 2.715 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)N[C@H](Cn1ccnc1)c1ccccc1 426503045 CPFIBSGNQQJVJP-QGZVFWFLSA-N 367.457 2.638 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C(F)(F)F)n[nH]1 222887735 IYTNWOFCMDVJHZ-TZMCWYRMSA-N 369.343 2.533 0 50 FFAA C[C@H]1CN(C(=O)NCc2ccc3sccc3c2)C[C@@H](C)S1(=O)=O 291780661 GCMPNTMQYDCWCJ-TXEJJXNPSA-N 352.481 2.618 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)N(C)c3ccccc3)C2)CCC1=O 82127441 PPDQUGKFERCUEP-HXUWFJFHSA-N 359.470 2.594 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(Cc3cnc(C)nc3)CC2)c1 82106752 WRTZTFZMUKONOI-UHFFFAOYSA-N 359.401 2.731 0 50 FFAA O=C(O)C1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 238031568 JYVUIRVPMWJBDT-UHFFFAOYSA-N 351.200 2.867 0 50 FFAA COc1cccc2c1OC[C@H](CNS(=O)(=O)c1c(F)cccc1F)C2 95357528 TWHLIPWNYNWLGK-NSHDSACASA-N 369.389 2.503 0 50 FFAA Cc1nc(CCCN2CCOCC2)n(-c2ccc(OC(F)(F)F)cc2)n1 96152490 ZCEJREKEIFUKCP-UHFFFAOYSA-N 370.375 2.739 0 50 FFAA O=C(N1C[C@H](CO)c2ccccc21)C1(c2cncc(Br)c2)CC1 293903140 LQVJRRURBXRIPT-GFCCVEGCSA-N 373.250 2.998 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 91707497 RQLIIFGEOZWVOQ-GOSISDBHSA-N 370.453 2.558 0 50 FFAA CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 267649058 INLXAVYIHFIYIY-WFASDCNBSA-N 364.492 2.674 0 50 FFAA Cc1nncn1CCN1CCC(CCC(=O)NCc2ccc(F)cc2)CC1 95517307 OBRRXTYOWDOHPO-UHFFFAOYSA-N 373.476 2.534 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)C1CCN(C(=O)C2CCC2)CC1 95386656 GCDNLVSSWBBTLM-UHFFFAOYSA-N 368.481 2.570 0 50 FFAA COc1cc(N2CCC(NCCc3c[nH]c4ccccc34)CC2)ncn1 95509346 GNWOMBPNUIBHSG-UHFFFAOYSA-N 351.454 2.768 0 50 FFAA CCN(C[C@H](O)COc1ccccc1)C(=O)c1cccc(-c2cn[nH]c2)c1 97528069 QCVTVWQZULUIJS-IBGZPJMESA-N 365.433 2.979 0 50 FFAA O=C1COc2cc(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)ccc2N1 97413329 GSYJJCPSKCDACO-GOSISDBHSA-N 372.446 2.665 0 50 FFAA CN(CC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1)c1ccccc1 91746637 HVGDXWXCILJOKH-QFIPXVFZSA-N 369.509 2.764 0 50 FFAA COCCCN1CCC[C@]2(CCN(c3ncnc4ccsc34)C2)C1=O 92003545 GTFJRYRTWFVHEL-GOSISDBHSA-N 360.483 2.547 0 50 FFAA CCCCOCC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95501004 ZQMVRRZWKHLGIC-GOSISDBHSA-N 356.470 2.849 0 50 FFAA CCOc1ccc(CC(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)cc1 244659600 HFMDUSCKXFQDNM-YVWKXTFCSA-N 354.450 2.521 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H]2C[C@@H](O)C2)cn1 244708194 KPHYCTKJZFQSIU-JTDSTZFVSA-N 356.422 2.649 0 50 FFAA C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCN(C(=O)c2ccccc2)C1 184606528 FNWNRSVNTJJMJP-FQEVSTJZSA-N 367.453 2.953 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)nc2c1CCCC2 534669088 DXMLMGDWZYFJEH-KRWDZBQOSA-N 351.450 2.928 0 50 FFAA CC[C@@H]1CN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)Cc2cc(OC)ccc2O1 299769338 WSVOFJBKZLMNOT-YNVMFWSZSA-N 370.493 2.997 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2cccc(-c3ccnc(C)c3)c2)CC1=O 299802496 XKUBMFUCKXUTJS-MRXNPFEDSA-N 351.450 2.997 0 50 FFAA Cc1ccc(-c2cccc(CN3CCc4c(c(C(N)=O)nn4C)C3)c2)o1 825197873 UMVHBUPYJUXOLJ-UHFFFAOYSA-N 350.422 2.646 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CC[C@@](C(=O)O)(C2CCC2)C1 1875300616 KMKPVAKHMFHKLU-FQEVSTJZSA-N 358.438 2.773 0 50 FFAA CCc1cnc2ccccc2c1C(=O)NC[C@H](C[C@@H]1CCOC1)C(=O)O 1875277809 GULIUVJOYFBMMS-ZFWWWQNUSA-N 356.422 2.654 0 50 FFAA COC(=O)C1(c2cccc(NC(=O)N3C[C@H](C)C[C@@H](CO)C3)c2)CCC1 1875296826 QUXCQHBCLSCZOZ-HUUCEWRRSA-N 360.454 2.764 0 50 FFAA C[C@H](NC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1)c1ccccn1 952852716 JPJVDNLWSOKXDL-MDOVXXIYSA-N 353.470 2.608 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C(F)(F)F 886036565 VCRUERUBVKTRPA-SWLSCSKDSA-N 353.344 2.840 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)cccc2c1 408132183 IPNHRUJLPGIXFC-CVEARBPZSA-N 362.495 2.961 0 50 FFAA CCN(CCNC(=O)c1cc(N2CCCC2=O)ccc1Cl)CC(F)F 170610135 QMEIZPFMWBJSDP-UHFFFAOYSA-N 373.831 2.784 0 50 FFAA O=C(O)CC[C@H](Cc1ccccc1)NC(=O)[C@H]1COc2ccc(F)cc2C1 1324625996 VZFNWUSPIMTFKU-SJLPKXTDSA-N 371.408 2.969 0 50 FFAA COc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)c1 1073391705 GNXVFFAEZWPQJP-WBVHZDCISA-N 369.469 2.855 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 192411115 OPZKSOJJTZJFHG-PRHODGIISA-N 357.193 2.714 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC[C@H](c2nnc3ccccn23)C1 1506424917 MUUFRBNTWJOTBL-LFAOLKIESA-N 368.462 2.703 0 50 FFAA CCCOc1ccc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc1Cl 1704311270 BXJJMTCXVCXDKI-UHFFFAOYSA-N 351.834 2.795 0 50 FFAA Cn1ccc(C2CCN(C(=O)c3cccc4c3CCC4=O)CC2)cc1=O 1772818215 AKEVPLJLEIZGQJ-UHFFFAOYSA-N 350.418 2.534 0 50 FFAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(C)C1=O 11782290 RVCZPDSMVPYZSO-VFNWGFHPSA-N 372.465 2.503 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)NCc2cc(C(C)(C)C)[nH]n2)n[nH]1 12299652 ZNBRZBWLBALERN-UHFFFAOYSA-N 369.473 2.729 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccs1)C2 14731533 PQFQUNBQDKREQP-CQSZACIVSA-N 358.511 2.848 0 50 FFAA CCOc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 17197325 MKRAQWYQTPVGHP-UHFFFAOYSA-N 373.356 2.918 0 50 FFAA CCCc1cc(CNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)on1 19338884 XAVUTUHACPBFOY-OKILXGFUSA-N 358.442 2.566 0 50 FFAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C[C@@H]1O)C1(c2ccccc2Cl)CCC1 1857531676 WXPRFPSVSQCVLM-WBAXXEDZSA-N 373.884 2.914 0 50 FFAA COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc(Br)cn1C)C2 332206874 YVBFHGCZBIDDGR-LBPRGKRZSA-N 365.227 2.530 0 50 FFAA C[C@@H](CC1CCOCC1)N[C@H](C(N)=O)c1cccc(Br)c1 488408501 AXAHLMIBVMAABW-NHYWBVRUSA-N 355.276 2.770 0 50 FFAA Cc1ncc(CCNC(=O)c2sc([C@@H]3CCCN(C)C3)nc2C)s1 2325779857 LKTSZRNCAAIIPC-CYBMUJFWSA-N 364.540 2.998 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)CC1 2325883401 ZRWZFRLRJBDFQY-UHFFFAOYSA-N 373.844 2.797 0 50 FFAA O=C(c1ccnc(NCCc2c[nH]c3ccccc23)c1)N1CCOCC1 242896577 GPBYBTYDPIJATQ-UHFFFAOYSA-N 350.422 2.690 0 50 FFAA COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 1103951 ZZIPOKRFVGSKLF-KRWDZBQOSA-N 352.434 2.981 0 50 FFAA CC(C)CC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 2836842 HISZMZLJKUTDCS-UHFFFAOYSA-N 365.389 2.612 0 50 FFAA O=C(c1cscn1)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356149215 PJTCNSBEVZETTE-HXUWFJFHSA-N 369.490 2.983 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3CC3COCCOC3)C2=O)cc1 2356149714 SCHGPVJRLIAJRZ-OAQYLSRUSA-N 358.482 2.619 0 50 FFAA COC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)o1 4842767 OPTQREFTTKSQDT-UHFFFAOYSA-N 357.284 2.780 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 6027309 RLVZCPHLCHXZNE-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA O=C(NCc1ccccn1)c1cnc2scc(-c3ccccc3)n2c1=O 6757288 KCCCYBDYAHECMY-UHFFFAOYSA-N 362.414 2.748 0 50 FFAA Cc1ccccc1Cn1nc([C@H](O)c2ccccc2)nc1[C@@H]1[C@H]2CNC[C@H]21 102036684 DEVJRIAIDRGVLU-FUMNGEBKSA-N 360.461 2.649 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CC(C)C)c2ccccc2)C1 106231528 SGNJBPBRIFCHGO-QZTJIDSGSA-N 366.527 2.952 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 53954170 SKQDIYAZLODJFB-JXMROGBWSA-N 366.509 2.827 0 50 FFAA C[C@H](CN)N(C)c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 420190352 QNVYJWBMFGIXQN-LLVKDONJSA-N 354.483 2.811 0 50 FFAA COc1ccccc1-n1nc(CC(C)C)nc1C1CCN(CCO)CC1 65453013 DCGDATUNPBTMQT-UHFFFAOYSA-N 358.486 2.646 0 50 FFAA O=C(NCCCc1ccccn1)c1ccc(N[C@H]2CCCC[C@@H]2O)nc1 67433125 CONAXZVLOAKGMF-ROUUACIJSA-N 354.454 2.555 0 50 FFAA Cc1ccc(OC[C@H](O)CNc2nc(CCN)nc3ccccc23)c(C)c1 65395419 VMLBSSXEJLNXGH-MRXNPFEDSA-N 366.465 2.600 0 50 FFAA CC(C)SCC(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 65403254 UUTYHXUCFHBOPN-UHFFFAOYSA-N 358.467 2.619 0 50 FFAA CCCCOc1ccc(C(=O)N2CCN(c3ccc(C)nn3)CC2)cc1 65365222 OOMCPMMHDFWAKQ-UHFFFAOYSA-N 354.454 2.926 0 50 FFAA O=C(c1cc(F)c(F)c(F)c1F)N1CCC(N2CCCCC2=O)CC1 121596738 CUFHOWGHQMEOTH-UHFFFAOYSA-N 358.335 2.860 0 50 FFAA CCN(CC)[C@H]1CCN(Cc2cccc(C(=O)Nc3nccn3C)c2)C1 67655020 CYYQQICBRJYURT-SFHVURJKSA-N 355.486 2.589 0 50 FFAA Cc1ccc(Cc2nnn(CC(=O)N[C@H](c3ccccc3)C3CC3)n2)cc1 252497688 QNACZPAXEVYFFQ-OAQYLSRUSA-N 361.449 2.840 0 50 FFAA CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C(N)=O)c1C 2745752 UWLJJRDMXDDQKY-UHFFFAOYSA-N 373.478 2.819 0 50 FFAA CC(=O)N[C@H]1C[C@H](c2cc(N3CCOc4ccc(Cl)cc4C3)ncn2)C1 218979534 FBEZSMRRTBRJLC-AKAXFMLLSA-N 372.856 2.911 0 50 FFAA Cc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c(C)n1 77505223 SFQIBKBXTWJPBC-UHFFFAOYSA-N 352.482 2.874 0 50 FFAA Cc1ccc(-c2ccccc2CN2CCN(CC(=O)N3CCCC3)CC2)o1 216366680 HYFLDKLRMHAZRX-UHFFFAOYSA-N 367.493 2.995 0 50 FFAA Cc1ccc(-n2cc(CN3CC[C@H]4NCCC[C@]4(C(=O)O)C3)cn2)cc1C 72149951 YPYLTANEBGXOAU-CTNGQTDRSA-N 368.481 2.518 0 50 FFAA CC[C@H]1CN(Cc2cnc(COC)nc2)CCC(=O)N1Cc1ccccc1 71758858 LRELRQPXKPXVQA-IBGZPJMESA-N 368.481 2.636 0 50 FFAA O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCC[C@](F)(CO)C1 253419996 HLSCSLGEXYNMBG-GOSISDBHSA-N 368.355 2.875 0 50 FFAA COCc1cc(N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)n2ncnc2n1 253427258 ONBZWNAHBCAKBM-IRXDYDNUSA-N 367.453 2.953 0 50 FFAA C[C@H]1CN(C(=O)NCc2ccnc(-n3cccn3)c2)Cc2ccccc2O1 487826284 VCEOYFTUGNUJRP-HNNXBMFYSA-N 363.421 2.760 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H](Nc2ccccc2)C1 155740361 TVFHIGSXQAABQI-IBGZPJMESA-N 357.498 2.735 0 50 FFAA Cc1nn(C)c2ncnc(N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)c12 72436258 SBAWFMHLZZSIHA-LLVKDONJSA-N 356.817 2.543 0 50 FFAA O=C1[C@H](n2nc(-c3ccco3)oc2=O)CCN1[C@@H]1CCCc2ccccc21 367398806 KOXBSNTUEMAILF-HZPDHXFCSA-N 365.389 2.947 0 50 FFAA CNc1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cs1 77436560 CHXNTDSPUJWFPQ-UHFFFAOYSA-N 350.875 2.796 0 50 FFAA COc1ccc2[nH]nc(CN(C)Cc3nc(-c4cccnc4)no3)c2c1 72145715 MUDSUIIBYSGOKA-UHFFFAOYSA-N 350.382 2.649 0 50 FFAA COc1ccc(-c2nc(CN3CCC(C(N)=O)CC3)c(C)o2)c(C)c1C 71712115 UYAOUKADBNCWDM-UHFFFAOYSA-N 357.454 2.973 0 50 FFAA CN(Cc1ccccc1NC(=O)NCCN1CCOCC1)C1CCCCC1 71901275 VSRWVLQIQHKDQA-UHFFFAOYSA-N 374.529 2.905 0 50 FFAA Cc1cccc(C)c1NC(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72438200 IGGSJOAELNMZGZ-UHFFFAOYSA-N 356.426 2.955 0 50 FFAA Cc1ncncc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77341486 XPQKUDUITISICO-FQEVSTJZSA-N 358.486 2.676 0 50 FFAA Cc1ccc(O)c(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)c1 72143495 WVLRAVUQENGRTK-KRWDZBQOSA-N 352.434 2.664 0 50 FFAA CNC(=O)c1cn2cc(-c3cc(C)oc3C)n(CC=C(C)C)c(=O)c2n1 72410385 NJSAMEIVDKZXPC-UHFFFAOYSA-N 354.410 2.699 0 50 FFAA CSCc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)O)C3)CC2)o1 221242437 SABZBIGWASLVMF-CYBMUJFWSA-N 366.483 2.544 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)NCc1nnnn1-c1ccccc1 220158384 GLYNGNVMJINOEA-UHFFFAOYSA-N 360.421 2.783 0 50 FFAA COc1ccccc1CN(Cc1cccnc1)C(=O)NC1CCN(C)CC1 426397414 NAIJPMNMWBKUON-UHFFFAOYSA-N 368.481 2.896 0 50 FFAA Cc1ccccc1CN1CC[C@H](CNC(=O)c2cnc(C3CC3)nc2O)C1 426571559 DTEIQYUOLNEPGK-OAHLLOKOSA-N 366.465 2.620 0 50 FFAA Cc1ccccc1-c1noc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)n1 426563430 TUCJTGGPACWDMZ-MRXNPFEDSA-N 367.453 2.613 0 50 FFAA CCC(=O)c1cccc(-c2cccc(C(=O)NCC(=O)NC3CC3)c2)c1 426508116 QGBYZFYKLQRPGM-UHFFFAOYSA-N 350.418 2.955 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 95371630 XAVSGYFUPSZCLK-GOSISDBHSA-N 372.488 2.923 0 50 FFAA CC[C@@H](C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)n1cccn1 91872637 IAVFVELYSGUMKA-AWEZNQCLSA-N 359.817 2.897 0 50 FFAA CCc1noc(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91964650 YWBDWKMWWWASOF-HXUWFJFHSA-N 371.437 2.775 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2)NCc1cccs1 95368049 QPZHFMQEFKCGCK-ZWKOTPCHSA-N 361.555 2.951 0 50 FFAA CC(C)Oc1cccc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c1 95371823 VHXJAUFBYCXIBE-FQEVSTJZSA-N 369.465 2.812 0 50 FFAA Cc1cc(N2CCC(N3CCOC3=O)CC2)nc(-c2ccccc2O)n1 91620044 SFQRXCGAXQNFPN-UHFFFAOYSA-N 354.410 2.579 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)o1 91655811 IROSINNBAFEQCS-KRWDZBQOSA-N 365.437 2.951 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2O1)c1cnc(Nc2ccccc2)nc1 91306167 NPWZDLZKVQSRSY-MRXNPFEDSA-N 362.389 2.790 0 50 FFAA COc1cccc2[nH]cc(CC(=O)N3CCC(c4nc(C)no4)CC3)c12 180834014 QJLRIMNCHKTJAK-UHFFFAOYSA-N 354.410 2.817 0 50 FFAA O=C1[C@H]2CC[C@H](CN(C3CSCCSC3)C2)N1Cc1ccccc1 92038980 IEBXLUZQIHHZGY-DLBZAZTESA-N 362.564 2.958 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 245242160 FHTSGNCDNDFBKL-KTSXYBPLSA-N 364.445 2.684 0 50 FFAA CC(C)CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 245297222 QSPUODWHQMJTCS-JEWRLFTDSA-N 361.463 2.619 0 50 FFAA aggregator Cn1cnnc1SCC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 299797031 OYCTYYAKRQWGJR-KRWDZBQOSA-N 373.526 2.641 0 50 FFAA Cc1nc(NCc2cc3n(n2)CCN(C(=O)C(C)C)C3)cc(C(C)C)n1 299793013 HRZHYARUKKRQMW-UHFFFAOYSA-N 356.474 2.715 0 50 FFAA CCN1C(=O)C[C@](CC(=O)N(C)Cc2ccco2)(c2ccccc2C)C1=O 299757648 IETITMDLKVVAGM-OAQYLSRUSA-N 368.433 2.653 0 50 FFAA CCCc1nc2ccccc2n1[C@H](CC)C(=O)NCCN1CCCOC1=O 299772649 APPAEQNZRRSPOJ-MRXNPFEDSA-N 372.469 2.898 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2ccc3c(c2)ncn3C)c1 823676157 LHZQQQCECJZECN-UHFFFAOYSA-N 365.437 2.634 0 50 FFAA Cc1nc(CCCNC(=O)N2CCN(c3ccncc3)CC2)sc1C 584900662 MLVBBGUIQFHERD-UHFFFAOYSA-N 359.499 2.619 0 50 FFAA NC[C@@H]1C[C@H]2CN(CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C[C@@H]12 1875303502 AVUWCERGGDDSOC-MYGLTJDJSA-N 363.505 2.613 0 50 FFAA COc1ccccc1CC(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1 952987484 MQAYDINCECQNIR-UHFFFAOYSA-N 355.438 2.685 0 50 FFAA Cn1c(NC(=O)c2ccc3c(c2)OCC(=O)N3)nc2c(Cl)cccc21 185829977 OSSLZTXZTJVEJD-UHFFFAOYSA-N 356.769 2.810 0 50 FFAA CC(C)(NS(=O)(=O)C[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 188462421 SJYSLXWJDUFGPG-NSHDSACASA-N 367.389 2.776 0 50 FFAA Cc1cc(C)c2cc(C(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)[nH]c2c1 757963440 PSLFPGXFJDDFPZ-UZLBHIALSA-N 352.434 2.999 0 50 FFAA O=C(c1cncc(N2CCC([C@@H](O)c3cccs3)CC2)n1)N1CCCC1 1506420880 LSVOHJFETPFECU-GOSISDBHSA-N 372.494 2.724 0 50 FFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(C)(C)C)c1C 1506419935 MQXXNBLBRZEQKT-INIZCTEOSA-N 359.470 2.720 0 50 FFAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c(O)cn1 1506430153 WZDFOFKCWUHQPC-QGZVFWFLSA-N 356.422 2.796 0 50 FFAA CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)NC1=S 2168196 NYYXJEMFEOJIPF-GDNBJRDFSA-N 368.414 2.651 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@@]34CC[C@@](C)([C@H](O)C3)C4(C)C)CC2)nc1 213382107 HMSPXTUKILYZBN-JRGCBEDISA-N 372.509 2.777 0 50 FFAA CO[C@H]1CN(c2cc(C)nc(N3CCCCC3)n2)C[C@H]1Cc1cc(C)no1 1704297536 BVRDBXSGCLKKBW-AEFFLSMTSA-N 371.485 2.766 0 50 FFAA C[C@]1(O)CC2(CCN(C(=O)c3cccc(Cl)c3Cl)CC2)OC[C@@H]1O 1704345039 UHFVRYHXFGCLPO-BBRMVZONSA-N 374.264 2.500 0 50 FFAA CC1=CC2(CCN(S(=O)(=O)c3cc(C(=O)O)ccc3C)CC2)OCC1 1704299202 NREQWFINEKQAOQ-UHFFFAOYSA-N 365.451 2.583 0 50 FFAA CC(C)c1cccc(C(=O)N2CCCN([C@H](C)C(=O)N3CCCC3)CC2)c1 1772704078 IKYSGMZCUJTOTG-GOSISDBHSA-N 371.525 2.969 0 50 FFAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 11817180 OYPXPBDOAHOKKC-SFHVURJKSA-N 374.481 2.923 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)NCCn2ccnc2C)no1 12316624 ZPEBTMVDHJWYBP-UHFFFAOYSA-N 372.450 2.910 0 50 FFAA CC[C@H](C(=O)NC1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13712959 DSNDSRLTZKVAEJ-QGZVFWFLSA-N 352.500 2.989 0 50 FFAA COCCN1CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CCC1=O 14999491 FODRGWSSZBHJKV-HXUWFJFHSA-N 358.482 2.668 0 50 FFAA Cc1[nH]c2c(CN3CCC(Cn4cc(CO)nn4)CC3)cccc2c1C 19836730 GUQNUOGVYAVGLM-UHFFFAOYSA-N 353.470 2.781 0 50 FFAA C[C@H]1CCc2nn3ccn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3c2C1 169779615 NGYMBSNCJYJRAV-LBPRGKRZSA-N 370.840 2.913 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)o1 1857708411 SMYBZWGKIOMRTR-UHFFFAOYSA-N 363.417 2.590 0 50 FFAA Cc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c(F)c1 331999391 XWUXEMVPDPYMMA-FUHWJXTLSA-N 367.417 2.911 0 50 FFAA CCc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](C(=O)O)C3)s2)cc1 236992798 TXAYKJULHHYHLM-CQSZACIVSA-N 360.435 2.607 0 50 FFAA C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCc2[nH]ncc2C1 266134296 YSXBKNKPUDOTFV-SNVBAGLBSA-N 350.216 2.524 0 50 FFAA Cn1ccc(CCC(=O)N[C@H](C(=O)OCc2ccccc2)C(C)(C)C)n1 815979039 PCAUSPMNRNFSDK-GOSISDBHSA-N 357.454 2.627 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)nn2)CC1(C)C 837155229 SKAAWUYXABCICV-UHFFFAOYSA-N 354.838 2.602 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 706424 HPDOYDSJYJHZDQ-UKRRQHHQSA-N 350.802 2.690 0 50 FFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC2(CC1)CS(=O)(=O)C2 2325767928 QHBBFSOMZDNFOL-ZACQAIPSSA-N 371.543 2.501 0 50 FFAA Cc1ccnn1-c1cccc(NC(=O)c2cc(CC3CCNCC3)on2)c1 2325774603 BSDMBKNWQIRVJR-UHFFFAOYSA-N 365.437 2.963 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cnn3c2CCC[C@@H]3C)C1 2325792812 NWSYGLHCVVJILP-SWLSCSKDSA-N 358.442 2.817 0 50 FFAA CC(C)(C)[C@@H]1CC[C@@H](C(=O)O)N(C(=O)c2cc(-n3ccnc3)ccc2O)C1 2325851850 LJHDOMHARYJFGR-CJNGLKHVSA-N 371.437 2.929 0 50 FFAA CC1(C)CCN(C(=O)c2cc(Br)c3n[nH]cc3c2)[C@@H]1C(=O)O 2325852168 VBZROHWNUZXYPO-GFCCVEGCSA-N 366.215 2.651 0 50 FFAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(Cl)c1 1075675 CCXVTTKVEZERRO-SECBINFHSA-N 374.796 2.924 0 50 FFAA CNC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1136840 BUHIQRMFYUUMOA-UHFFFAOYSA-N 366.870 2.585 0 50 FFAA Cc1ccc(N(CC(N)=O)[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)cc1 1317775 WCMCMAMJWUQJSI-SFHVURJKSA-N 369.446 2.821 0 50 FFAA COc1ccc(F)cc1CN1CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C1 2356141701 MCHBHRDMEYOVAI-PKOBYXMFSA-N 353.434 2.908 0 50 FFAA CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC 2865423 KCKIZXSMQYELIX-UHFFFAOYSA-N 372.421 2.675 0 50 FFAA COc1cc(NC(=O)c2nc3nc(C)cc(C)n3n2)c(OC)cc1Cl 2887388 IWBOHVUKGZMQSL-UHFFFAOYSA-N 361.789 2.664 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@]34CCCN(C)C4=O)cc2)n1 2356163773 QIXGBXMWKYPRSY-OAQYLSRUSA-N 366.465 2.716 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 4268984 JYUDKGJJUWHIIA-UHFFFAOYSA-N 354.516 2.900 0 50 FFAA CCOC(=O)C1=NN(C(C)=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 4866892 YFZCXPBITLWTJA-HKUYNNGSSA-N 364.401 2.803 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3CCO[C@@H](c4nccs4)C3)cc2)n1 110885793 OWWBJFBLBHDSNL-CQSZACIVSA-N 356.407 2.715 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2ccccc2N(C)C)c1C 55393525 ZBNBVAGOFBFLTQ-UHFFFAOYSA-N 358.486 2.875 0 50 FFAA Cc1ccc2oc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)cc(=O)c2c1 28404043 APXKCAWUMWWYNC-UHFFFAOYSA-N 364.357 2.709 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100394120 ZDEHPXBDYSHUEV-MWDDYTRKSA-N 358.825 2.784 0 50 FFAA Cc1csc(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 67920771 NVWMGOBHUSQZJV-HXUWFJFHSA-N 373.522 2.527 0 50 FFAA Cc1cccc(-c2ncc([C@H]3CC(=O)NCc4nc(N)sc43)cn2)c1 65470466 BBDAJNXIYYVRQE-CYBMUJFWSA-N 351.435 2.643 0 50 FFAA CCNc1ncc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)cn1 65369742 WNVAAQACMYHJAE-QGZVFWFLSA-N 351.385 2.962 0 50 FFAA O=C(COc1ccc2ccccc2c1)N[C@@H]1CCCN(C(=O)C2CC2)C1 67817988 ZADBDDRGGPJHPT-GOSISDBHSA-N 352.434 2.736 0 50 FFAA CO[C@@H](CNc1nc(C)nc2c1CCN(C(C)=O)CC2)c1cccs1 65407831 IMXGXJDPQKVHHG-INIZCTEOSA-N 360.483 2.593 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1c(C)c2cc(F)ccc2n1C)C(=O)O 67650053 PGIHWRJMPHTUAF-HNNXBMFYSA-N 358.373 2.521 0 50 FFAA Cc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1Cl 4745650 VVKTVZNUGYGELP-UHFFFAOYSA-N 366.874 2.831 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC([C@@H]2N=C(O)C2(C)C)CC1 329310676 CIUVZDICBXUWQI-HNNXBMFYSA-N 371.441 2.601 0 50 FFAA COc1ccc2cc([C@H](C)NC(=O)CN(C)C3CCNCC3)ccc2c1 215976013 IVBHKISQMOPQOD-HNNXBMFYSA-N 355.482 2.709 0 50 FFAA COCCS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)cc1 172781443 NOPJGDPUUZEXMG-OAHLLOKOSA-N 373.474 2.694 0 50 FFAA CC1=NN(C(=O)[C@@H](C)n2nc(C)c(Cl)c2C)[C@@](O)(C(F)(F)F)C1 6526583 BQLZOIDOZHVFDT-SKDRFNHKSA-N 352.744 2.573 0 50 FFAA CC(=O)NCC1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 72429883 FKVYSJYDWOEUSC-UHFFFAOYSA-N 367.428 2.888 0 50 FFAA O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC(c2ccn[nH]2)CC1 125386275 RUWGSHXXZIFBPF-INIZCTEOSA-N 356.451 2.619 0 50 FFAA CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)n1 236747737 RTEOEEIKAYQZHC-OAHLLOKOSA-N 371.437 2.728 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)c1C 77423919 RJKXNFMYPPOLFH-MRXNPFEDSA-N 366.425 2.768 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)n1 77472023 IETQEDXIUHYQOX-FQEVSTJZSA-N 360.502 2.794 0 50 FFAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CCC[C@@H]1c1ncc[nH]1 370579113 HCLBJOMEOSTEFW-OAHLLOKOSA-N 350.426 2.522 0 50 FFAA CN1CCC(O)(CCn2cnc3c(Cl)ccc(Cl)c3c2=O)CC1 32547896 XMWICPLWAYMNOI-UHFFFAOYSA-N 356.253 2.550 0 50 FFAA Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2n[nH]c3c2CCC3)no1 215583051 QNLLKZXAMUZNJE-UHFFFAOYSA-N 360.849 2.881 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3snnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72164125 SHNLJWIWCZYZPO-KZNAEPCWSA-N 368.506 2.857 0 50 FFAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)cc2nc(S)[nH]c12 130812748 KZCJKAJERYCTGZ-QFYYESIMSA-N 367.471 2.775 0 50 FFAA CC(C)(C)OC(=O)N1CCc2ncn(Cc3ccc(F)cc3)c(=O)c2C1 221529059 MGSLDTYDVNSMFY-UHFFFAOYSA-N 359.401 2.724 0 50 FFAA O=C(c1ccon1)N1CCC(n2cc(-c3cc(F)cc(F)c3)nn2)CC1 19537744 IQNVILANTIYFLR-UHFFFAOYSA-N 359.336 2.689 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cc1 222256379 ZBANKCLMIGPJHM-MOPGFXCFSA-N 357.381 2.995 0 50 FFAA CN1C[C@H]2CN(C(=O)c3ccccc3-c3ccccc3F)C[C@@]2(C(=O)O)C1 426492772 ICGNDPDPXIJPEI-QKKBWIMNSA-N 368.408 2.581 0 50 FFAA NCc1nc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 238022595 OGWHZAJMLUWWMH-MRXNPFEDSA-N 365.886 2.841 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc3cc(OC)ccc3o1)C2 91871303 NVXAOKDPOAKVKC-ZDUSSCGKSA-N 368.389 2.713 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1 97743518 HSQMUDRDNBXXND-UHFFFAOYSA-N 373.453 2.730 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)NCc2cnn(C)c2C)c1 91755951 SRBXXVBHSJZBDX-UHFFFAOYSA-N 371.437 2.624 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)c1Cl 180474312 GSGLGHCNDREDEJ-CYBMUJFWSA-N 351.859 2.601 0 50 FFAA CCOCCOc1ccccc1NC(=O)NC1(C(N)=O)CCCCCC1 97785066 CHPGOYRJOCDCIE-UHFFFAOYSA-N 363.458 2.802 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)[nH]c12 91594145 NKGRVIMUJXJDIT-UHFFFAOYSA-N 350.422 2.651 0 50 FFAA COc1cccc(OCCN(C)C(=O)CN2CCCCCCCC2=O)c1 95517681 JNLKFMXAJDUAAA-UHFFFAOYSA-N 362.470 2.715 0 50 FFAA CC(=O)Nc1cc(NC(=O)NC[C@@H](O)COC2CCCCC2)ccc1F 96137410 VHIULMIZCOSXMI-CQSZACIVSA-N 367.421 2.616 0 50 FFAA CCc1nc(CCNC(=O)c2cnn(-c3ccccc3OC)c2)cs1 91769211 YCALDFZXFBRPKD-UHFFFAOYSA-N 356.451 2.872 0 50 FFAA O=C(NCCCNc1cccnc1)[C@H]1CCCCN1C(=O)c1ccccc1 244708067 KMYGIJBHSGFETF-LJQANCHMSA-N 366.465 2.695 0 50 FFAA CNC[C@H]1CCN(C(=O)Cn2c(-c3scnc3C)nc3ccccc32)C1 299738941 IRIBFBXOBCDPNL-CQSZACIVSA-N 369.494 2.536 0 50 FFAA Cc1ccc([C@@H](CNC(=O)N2CCc3ccccc3C2)N2CCOCC2)o1 53564622 FREPWQOUNVUJAW-LJQANCHMSA-N 369.465 2.729 0 50 FFAA O=C1C[C@@H](C(=O)NCc2cnn(-c3cccc(F)c3)c2)C2(CCCC2)O1 670473812 AXSBPUGBRJVKLW-INIZCTEOSA-N 357.385 2.504 0 50 FFAA Cc1nnc(NCc2c(Br)cncc2Br)n1C 871072699 NBWZOUKYHOQVFW-UHFFFAOYSA-N 361.041 2.656 0 50 FFAA O=C(O)[C@H]1C[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 268921638 SUXJCUQIGAYGPQ-KGLIPLIRSA-N 371.355 2.591 0 50 FFAA COC1(C(=O)N2CCc3ccccc3[C@H](NC(=O)CC3(C)CC3)C2)CC1 1875407807 HZMSKYVSCNVQGJ-QGZVFWFLSA-N 356.466 2.598 0 50 FFAA C[C@@H]1NC(=O)OC12CN(C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C2 1875299112 ZUGMKIHBDPHDCJ-NSHDSACASA-N 370.371 2.983 0 50 FFAA C=CC(=O)N[C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 1875383475 WHAIIFQKIRWNJA-OAHLLOKOSA-N 364.854 2.662 0 50 FFAA CC(C)[C@H](OC(=O)[C@@]12C[C@H](O)[C@@H]1C2)C(=O)Nc1ccccc1C(F)(F)F 1875313178 IYLVWPWDQXCMIY-MJFSBKNWSA-N 371.355 2.983 0 50 FFAA O[C@@H]1CN(Cc2ccccc2OCCCCN2CCCCC2)C[C@H]1F 952965765 COEIIPMSWFAGHV-RTBURBONSA-N 350.478 2.846 0 50 FFAA CC(C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C)=C1CCCC1 886085319 DABOPQHFCJPEDI-SJLPKXTDSA-N 356.470 2.621 0 50 FFAA CN1C(=O)CC[C@H](CNCc2cccc3ccoc23)[C@H]1c1cnn(C)c1 886081991 QAEWDWZOWAZWKS-BEFAXECRSA-N 352.438 2.866 0 50 FFAA COC(=O)c1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1 1772799840 RXRPMBVEFTUEHY-UHFFFAOYSA-N 350.415 2.894 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565510021 LFEAOLORUOHLJR-OALUTQOASA-N 352.434 2.539 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Cl)cc2Cl)cn1 275534267 MDRDNNDHMSGIIT-ZBFHGGJFSA-N 353.253 2.836 0 50 FFAA O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)N1CCN(c2cccnn2)CC1 280243605 IEXQPHVLUGCNCD-AEFFLSMTSA-N 369.444 2.784 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NS(=O)(=O)N1CCc2ccccc21 750880869 DEBKQOJIQZZJSZ-UHFFFAOYSA-N 365.480 2.612 0 50 FFAA O=C(NC1CCN(C2CC2)CC1)c1n[nH]c2ccc(Br)cc12 171771746 RXMHVMZLHANFDG-UHFFFAOYSA-N 363.259 2.682 0 50 FFAA Cc1ccc(Cc2nc(C(=O)N[C@H](C)c3nnnn3C3CC3)cs2)cc1 191650926 WTUSGKLMADGHSY-GFCCVEGCSA-N 368.466 2.855 0 50 FFAA CCCn1cnnc1[C@@H](C)NS(=O)(=O)c1cc(C)c(F)cc1Cl 1506419468 CJJDCVCICZJNSP-SNVBAGLBSA-N 360.842 2.829 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCCc1cnn(C)c1 1506428933 RBKURWKJKARUDL-UHFFFAOYSA-N 371.890 2.692 0 50 FFAA O=C(CN1CCCCCC1)N1CCCN(C(=O)Nc2ccccc2)CC1 1800411110 FTNQZRCIEYLNSJ-UHFFFAOYSA-N 358.486 2.629 0 50 FFAA COc1cccc([C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C(=O)O)c1 222516603 ZGYCIYJZSSJKKF-MSOLQXFVSA-N 357.381 2.704 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@H]2CNC[C@@]2(CO)C1 1772710120 OKLVSYQZVJIUHI-YJYMSZOUSA-N 360.841 2.562 0 50 FFAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCCC[C@@H]3CCO)no2)cc1 11761252 YIFGYPQPUYJSGV-MRXNPFEDSA-N 372.421 2.833 0 50 FFAA CSc1ncccc1C(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12386623 MAKLIGRTAVNXPO-HNNXBMFYSA-N 373.453 2.516 0 50 FFAA CCCn1c(C)c(CC(=O)N[C@H](C)c2ncn[nH]2)c2c1CC(C)(C)CC2=O 12457687 QHOOLUMTVNWLFL-GFCCVEGCSA-N 371.485 2.900 0 50 FFAA OC1(c2ccccn2)CCN(CCN2CC[C@@H](c3ccccc3)C2)CC1 19758815 FJZVKBVVYQESNW-HXUWFJFHSA-N 351.494 2.855 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(F)c(Cl)c1)CCC3 169778251 OQQUHMZPZHIIKR-UHFFFAOYSA-N 374.803 2.884 0 50 FFAA COc1cccc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)c1OC 1857672133 LQQGAXUKKMWIIS-QZTJIDSGSA-N 354.450 2.856 0 50 FFAA CN(c1ccc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cc1)S(C)(=O)=O 1857673787 YFZMYZQDCPBVSI-LXZKKBNFSA-N 350.484 2.639 0 50 FFAA CCOc1ccc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cc1OC 1857711108 HOUYASVBSCTQQS-XKGFGPFHSA-N 360.498 2.635 0 50 FFAA Cc1c(Cl)cccc1C(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857711853 GSEVIQKIVCTFMP-WQZMEWCLSA-N 371.864 2.857 0 50 FFAA COc1nc2ccccc2cc1-c1cc(C(=O)N2CCN(C)CC2)ccn1 1875251067 KOJOJDZEGWUEIP-UHFFFAOYSA-N 362.433 2.693 0 50 FFAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCOC2(CCCCCC2)C1 120461885 FIAOCLOYDSTAJV-UHFFFAOYSA-N 361.486 2.941 0 50 FFAA Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(N2CCCCC2=O)CC1 120503246 ASJFYNOKVRVRPQ-OAHLLOKOSA-N 361.461 2.938 0 50 FFAA O=C(c1cc2ccccc2nc1O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 328996277 FMTPNAXGNLOVHR-HNNXBMFYSA-N 363.421 2.714 0 50 FFAA CCC(=O)N1CC[C@H](NC(=O)NCc2ccnc(OC3CCCCC3)c2)C1 129178471 MGBGIMHIYFIHGV-INIZCTEOSA-N 374.485 2.603 0 50 FFAA Cn1ccc2ccc(CN3C[C@H]4CN(C5CCCC5)C[C@@]4(C(=O)O)C3)cc21 247960286 DBHUUMIIRXNDJW-AVRDEDQJSA-N 367.493 2.939 0 50 FFAA CCCc1cc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)n[nH]1 248090513 XOGDWSYMAKUKEH-MSOLQXFVSA-N 360.502 2.749 0 50 FFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C(C)(C)CNC(C)=O 2325849759 ZQIBZXJWPNDUGE-SCTDSRPQSA-N 358.482 2.952 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(Br)c1 647172 HRGRJJCZJSAAOT-GFCCVEGCSA-N 357.179 2.779 0 50 FFAA O=S(=O)(NC[C@H]1CCCO1)c1cc(Cl)ccc1Br 758101 AOHGQCPMEHMVAK-SECBINFHSA-N 354.653 2.560 0 50 FFAA COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1108898 UUZJDZPMEDFUAF-UHFFFAOYSA-N 353.353 2.581 0 50 FFAA O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1138661 CXFPHPZOPMMAPU-UHFFFAOYSA-N 359.451 2.899 0 50 FFAA CCOc1ccccc1OCCOCCn1cnc2ccccc2c1=O 2862988 XKSBZMKNHBPGHL-UHFFFAOYSA-N 354.406 2.891 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 6702645 VTEQYCXLWKUSFW-SFHVURJKSA-N 372.490 2.564 0 50 FFAA CC(C)(C)CS(=O)(=O)NC(=O)c1ccc(OCc2cscn2)cc1 112762825 SWUSPKBLMGPAMS-UHFFFAOYSA-N 368.480 2.828 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(-c3ccncc3)nc2)CC1 67723164 ZHNHUPKRPVUFGT-UHFFFAOYSA-N 364.449 2.618 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)[C@H](C)Oc1cc(C)ccc1C 55212002 RKFYPYBDSANAKS-AWEZNQCLSA-N 362.499 2.899 0 50 FFAA C[S@@](=O)c1cccc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 118823165 BCCQBPUWYWYBIF-WZQKQDCOSA-N 371.462 2.630 0 50 FFAA COCCN1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1 20029187 ZTFUCNIAMWVXHS-UHFFFAOYSA-N 356.451 2.812 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67514197 DARKJGPFYWNIDX-MAUKXSAKSA-N 364.401 2.887 0 50 FFAA COc1cccc(O[C@@H](C)C(=O)N2Cc3cnc(CC(C)C)nc3C2)c1 67490701 AZJTZSWHLPDBFK-AWEZNQCLSA-N 355.438 2.993 0 50 FFAA O=S(=O)(CC12CCC(CC1)C2)N1CCC[C@@H](c2nncn2C2CC2)C1 329646543 IYBXFAPZUOJVHM-SWKXRBFHSA-N 364.515 2.703 0 50 FFAA CC(C)N1CCC(C(=O)N[C@H](C)c2ncc(Br)cn2)CC1 330723671 IPSNJHSWVQMEKT-LLVKDONJSA-N 355.280 2.537 0 50 FFAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2ccccc2-n2cncn2)C1 72164855 OVNYHNRPUNHFNI-AWEZNQCLSA-N 362.389 2.595 0 50 FFAA CC[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)[C@H](O)C(F)(F)F 331028915 XGOSXOKDSWJEPR-SVRRBLITSA-N 351.799 2.690 0 50 FFAA O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@H]1c1nnc2n1CCCC2 127079811 NZVSNQSMNQSOOP-INIZCTEOSA-N 364.453 2.787 0 50 FFAA Cn1ccnc1[C@H](NCc1ccc(-n2cccn2)cc1)C1CCOCC1 486845666 QGTFBKAIGTXLGQ-LJQANCHMSA-N 351.454 2.863 0 50 FFAA Cc1nnc(CN2CCOC[C@@H]2Cc2c[nH]c3ccccc23)n1C1CC1 366921905 NMTOQYPOCVQJGL-KRWDZBQOSA-N 351.454 2.846 0 50 FFAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CC[C@@H](N)C1 237799206 MMBOKYTYOXCNMY-CQSZACIVSA-N 366.387 2.610 0 50 FFAA CCn1ccnc1CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)[C@@H]1CC12CCNCC2 261706281 JPFZNAODBAHMLJ-FGTMMUONSA-N 374.529 2.721 0 50 FFAA Cc1nc[nH]c1C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72133023 GGVHVCRSRLGYNC-NIKGAXFTSA-N 372.419 2.699 0 50 FFAA CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)c1ccoc1C1(O)CCOCC1 373941712 AJQYYNSYIQGSPU-BMFZPTHFSA-N 365.470 2.847 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)c(F)c1 241371312 MMKDQQUBKWSEOM-UHFFFAOYSA-N 364.398 2.527 0 50 FFAA O=C(c1cccc2ccccc12)N1CCC(N2C(=O)CCCC2=O)CC1 242088003 WBACZIAOFOJZMQ-UHFFFAOYSA-N 350.418 2.984 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C(=O)O)n2)s1 226351770 UNSHFKKSPVYQPC-WFFHOREQSA-N 364.448 2.997 0 50 FFAA COCCn1nc(-c2nc(C(C)(C)c3ccc(Cl)cc3)no2)ccc1=O 289185434 RLAZPVWLCLUTHH-UHFFFAOYSA-N 374.828 2.919 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)nc(C)n1 48140070 BJSCQVKNAPWLFT-UHFFFAOYSA-N 351.385 2.821 0 50 FFAA COC(=O)c1cc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)c[nH]1 426503465 UCQLCPFHNSVESP-UHFFFAOYSA-N 355.438 2.635 0 50 FFAA COCCCN1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 426489313 DFEKGIVHJRMIRS-LJQANCHMSA-N 352.425 2.816 0 50 FFAA Cc1cc2cc(CNC(=O)N3CCC[C@@]4(CC3)CNC(=O)O4)ccc2[nH]1 426396442 LKQVYUPXPFKZTC-LJQANCHMSA-N 356.426 2.650 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)CSc2ccccn2)n1 220320629 IUUSOTIIAYKYJU-UHFFFAOYSA-N 356.373 2.650 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 426618099 JCSTVPHMWIFTKG-ZDUSSCGKSA-N 358.471 2.955 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)s1 91894025 FVXXXVNQUXAQQS-DZGCQCFKSA-N 360.479 2.814 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 97759355 FJDLJSHKWXOQKW-GOSISDBHSA-N 355.438 2.673 0 50 FFAA Cc1cccc2nc(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)cn12 95377142 BGNKIXOFUSJHOF-MRXNPFEDSA-N 352.438 2.764 0 50 FFAA O=C(COc1ccc2c(c1)OCO2)N1CCCN(c2ccccc2)CC1 91664978 MNMNVKLHSVXVTH-UHFFFAOYSA-N 354.406 2.533 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 91694245 GOXKUISGRIOZFW-HNNXBMFYSA-N 360.502 2.890 0 50 FFAA CN(Cc1nccs1)C(=O)c1cnc(COc2ccc(F)cc2)nc1O 91416995 OWUZURIRCQGSNS-UHFFFAOYSA-N 374.397 2.629 0 50 FFAA CCCS(=O)(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91657190 IOZNNWZXDJOZBT-UHFFFAOYSA-N 364.511 2.631 0 50 FFAA CN1CCCCC[C@@H]1C(=O)N(CCCn1ccnc1)Cc1cccnc1 97681773 DWKOEYWAFIPBTQ-LJQANCHMSA-N 355.486 2.571 0 50 FFAA C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)[C@H]1CCCOC1 295772388 BUWLEZVGPXAGNO-MFKMUULPSA-N 365.373 2.626 0 50 FFAA Cc1nc(CN2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)no1 96147799 VCYVNCAOHMPYTK-UHFFFAOYSA-N 353.785 2.520 0 50 FFAA COc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(OC)c1 243900943 AXVAKKRUDXNBNV-BXWFABGCSA-N 355.434 2.816 0 50 FFAA CNc1cc(C(=O)N[C@@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)ccn1 244852759 UYEVVISHSSXLFX-IYOUNJFTSA-N 359.401 2.513 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4nc(C)nn4c3)c2)C1 534575284 FOJRWYNGSBQAOW-GOSISDBHSA-N 350.422 2.956 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)N(C)C 828177849 VHJTWQWMVSXVMN-HXUWFJFHSA-N 365.477 2.582 0 50 FFAA CCc1cccc(OC2CN(C(=O)NCCC(=O)N3CCC(C)CC3)C2)c1 584904203 QJRPBCLYHMTMMN-UHFFFAOYSA-N 373.497 2.670 0 50 FFAA COc1cccc2c(C)c(C(=O)N3CCN(c4ccnc(C)n4)CC3)oc12 185449076 RHVQYHZEWOUVRM-UHFFFAOYSA-N 366.421 2.811 0 50 FFAA Cn1[nH]c(-c2c(F)cccc2F)nc1=NC(=O)c1c(F)cccc1F 1875266687 KUJCNRXGLMKSEG-UHFFFAOYSA-N 350.275 2.713 0 50 FFAA CCOC(=O)[C@H](C[C@H]1CCOC1)NCC(=O)Nc1ccccc1C(C)C 1875281806 XYTWYBRLSDKDSY-QAPCUYQASA-N 362.470 2.696 0 50 FFAA OCc1cc2ccccc2nc1N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875398940 JTPQKCFVVXJMJC-NXOUGTEYSA-N 372.856 2.829 0 50 FFAA O=C(O)[C@H]1Cc2cc(F)ccc2N(Cc2ncnn2-c2ccccc2)C1 1875349995 WMCJMMPJEGTEIM-AWEZNQCLSA-N 352.369 2.670 0 50 FFAA C=CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875386369 OQCMYYICDXFOMA-DOTOQJQBSA-N 358.486 2.979 0 50 FFAA CC1(C)CC(Cc2nc(C3CC3)nn2-c2ccc(S(N)(=O)=O)cc2)C1 1875348608 WRJCKRZMKUPGGD-UHFFFAOYSA-N 360.483 2.771 0 50 FFAA O=C(Nc1ccc2ccc3cc[nH]c3c2n1)N[C@@H](CO)C[C@@H]1CCOC1 1875307473 ZTTHSBWYJFCYNK-SWLSCSKDSA-N 354.410 2.625 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1ccccc1Br 1875400305 WIUULBPJFXOLPS-APHBMKBZSA-N 350.260 2.575 0 50 FFAA Cc1ccc(NC(C)(C)C(=O)N2CCN(c3nc(C)cnc3C)CC2)cc1 952988647 NYGGZRNMCCBSHM-UHFFFAOYSA-N 367.497 2.941 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)[C@H]2C1 277903814 BTECPCSFOMTNTD-PRHODGIISA-N 374.290 2.565 0 50 FFAA O=C(c1n[nH]c2ccccc2c1=O)N1CCC(OCc2ccccc2)CC1 171763509 RWTIYEMBSHXBKV-UHFFFAOYSA-N 363.417 2.745 0 50 FFAA CC(C)c1ncc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)s1 188157755 FNFOUGCQPUBVLY-HXUWFJFHSA-N 373.522 2.976 0 50 FFAA CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1CCCc2cccnc21 193897629 QBMDXBJPQNIJEV-LJQANCHMSA-N 365.477 2.997 0 50 FFAA CN1CCN(Cc2cccc(OCc3ccccn3)c2)CC12CCOCC2 1775980431 ARGSYLBXSOHTAG-UHFFFAOYSA-N 367.493 2.957 0 50 FFAA Cn1c(SCC(=O)O)nnc1-c1cccc(NC(=O)c2ccccc2)c1 5712873 WAHAPPIQCAUPQY-UHFFFAOYSA-N 368.418 2.911 0 50 FFAA O=C(NCCc1cccnc1)c1cc(COc2ccc(F)cc2F)on1 11938184 GAOXRFVOBPVMJV-UHFFFAOYSA-N 359.332 2.899 0 50 FFAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1 12438834 RNWCOVMPYLXGQF-IBGZPJMESA-N 357.498 2.512 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)c(OC)c1 12460526 JNUFMTPWBFFKCE-GFCCVEGCSA-N 358.369 2.835 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCCC2)cc1 12475181 GYFHNAIOLXGDLV-FQEVSTJZSA-N 371.525 2.915 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CSc1ncccn1 12476402 FBQZQMXAOQNOGZ-LBPRGKRZSA-N 366.450 2.607 0 50 FFAA C[C@H]1CN(C2(C(=O)NC(C3CC3)C3CC3)Cc3ccccc3C2)C[C@@H](C)O1 14962793 MFLWEEJIIVEMBO-IYBDPMFKSA-N 368.521 2.938 0 50 FFAA Cc1cccc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 15064827 RFHWOSGONSSSBR-LJQANCHMSA-N 355.526 2.950 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)N1CCCC1=O 15072098 PGXLNXDDUYSYTC-OAHLLOKOSA-N 353.422 2.809 0 50 FFAA O=C(NCc1ccncc1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 15075781 RXUWMEHOOFMWBS-KRWDZBQOSA-N 371.868 2.833 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 15434161 SFSOXZMQIWLCDB-GASCZTMLSA-N 350.484 2.589 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(Cl)cc3)nn2)n1 19924248 FCMPCGCVVLBUKV-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA Cc1nn(CCO)c(C)c1-n1ccnc1[C@H](C)Cc1ccc2c(c1)OCO2 1857690341 HPQCCLPGSJXGGP-CYBMUJFWSA-N 368.437 2.753 0 50 FFAA CC(C)[C@H]1CN2C[C@H](NC(=O)CCCC(=O)c3ccccc3)C[C@H]2CO1 1857718642 YMESKVXIOLAJBS-WSTZPKSXSA-N 358.482 2.654 0 50 FFAA COc1ccc2c(N[C@@H]3CCCN(c4cc(C)nn4C)C3)ncnc2c1F 328785704 KMVBOLWPESELSI-CYBMUJFWSA-N 370.432 2.900 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCOC1)c1cccc(Br)c1 237953884 LITPEXUALWNLBW-YPMHNXCESA-N 356.216 2.508 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)CCc2ccc(-c3ccccc3F)o2)CCO1 238195551 YMFUUIPFGFJOHT-CQSZACIVSA-N 361.369 2.720 0 50 FFAA O=C(O)COc1ccccc1CN1C[C@@H]2CC[C@H](C1)CN2CC1CCC1 247446625 YPWNFFHNBWLRAB-MJGOQNOKSA-N 358.482 2.846 0 50 FFAA COc1ccnc(CN2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)c1OC 247894807 OGNVDWWDZXWFNM-CABCVRRESA-N 360.385 2.538 0 50 FFAA CC[C@@H](COC)NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 151056610 INBYHXYFMZIZHK-JKQUEYGFSA-N 362.514 2.735 0 50 FFAA O=S(=O)(Cc1noc2ccccc12)N[C@H]1CCc2ccccc2OC1 370013654 ZNIMDEBDJBJBFM-AWEZNQCLSA-N 358.419 2.641 0 50 FFAA Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 804513174 FXAKUIISWGPMSD-UZLBHIALSA-N 353.466 2.795 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-c3cccc(F)c3)c1)C2 1704304627 HPQPXWZZZIYPMY-QRWLVFNGSA-N 354.425 2.895 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)O)cc2)CCN1C(=O)c1cc2cccnc2[nH]1 911319386 VEEYGUZJSSDEFB-ZDUSSCGKSA-N 364.405 2.612 0 50 FFAA COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@H]1C(C)(C)C(=O)OC 1142226 NLGLJCZPOUSZGA-JKSUJKDBSA-N 356.374 2.831 0 50 FFAA Cn1cnc2cc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](C(=O)O)C3)ccc21 2325775320 WKHSXUDDJYECBE-IAGOWNOFSA-N 363.417 2.589 0 50 FFAA NCCN1CCC(C(=O)Nc2ncccc2OCC2CCCCC2)CC1 2325778674 JDRMAWJEWHFHGE-UHFFFAOYSA-N 360.502 2.650 0 50 FFAA CNC(=O)Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 2325790058 JXEXNNDFRTXJLG-QGZVFWFLSA-N 354.425 2.819 0 50 FFAA CC(C)(C)c1ncc(S(=O)(=O)N[C@H](c2cccnc2)c2ccccn2)o1 2325808743 IUHOSHBHBHDROL-MRXNPFEDSA-N 372.450 2.830 0 50 FFAA CN(C[C@@H]1CCN(C(=O)[C@H]2CCCCS2)C1)c1ncc(Cl)cn1 2325841294 NIGNVZBVLCBVAX-GXTWGEPZSA-N 354.907 2.700 0 50 FFAA Cc1ccc2c(n1)N(C(=O)NCc1cccc(N3CCC3=O)c1)CCC2 2325890796 MYHVWSFJEGQTCS-UHFFFAOYSA-N 350.422 2.789 0 50 FFAA COc1ccc(-c2onc(NCc3[nH]nc4ncccc34)c2C(=O)O)cc1 2356147082 HGCLRLUJPQKCMW-UHFFFAOYSA-N 365.349 2.932 0 50 FFAA Cc1cc(Cl)ccc1NC(=S)N1CCN(C(=O)[C@H]2CCCO2)CC1 8682322 BCKARAUVYLKYTN-OAHLLOKOSA-N 367.902 2.668 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(CCn2c(=O)oc3ccccc32)C1 67850617 INDZUKAPYSSPNM-OAHLLOKOSA-N 351.406 2.584 0 50 FFAA CN(Cc1ccoc1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67654111 RAARBSCZRHTHDM-NRFANRHFSA-N 356.466 2.698 0 50 FFAA CCCc1nc(CN(CC)C(=O)c2ccc(C(F)(F)F)nc2O)no1 55576045 KLIGWTSIEFBBBW-UHFFFAOYSA-N 358.320 2.804 0 50 FFAA CC[C@H](NC(=O)CC(=O)Nc1ccc(C)c(Cl)c1)c1nc(C)no1 65526117 OATWAXFBAHHHMZ-ZDUSSCGKSA-N 350.806 2.936 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1C 20601665 DIANEZAUVJHURZ-IBGZPJMESA-N 362.543 2.732 0 50 FFAA CCCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1cnc3ccccn13)C2 67851113 WRKXUHGSBDPXFQ-AWEZNQCLSA-N 367.453 2.628 0 50 FFAA Cc1ccnc(N2CCN(C(=O)NC[C@H]3CCOc4ccccc43)CC2)c1 139654503 XMKJWJMCAQQPEF-QGZVFWFLSA-N 366.465 2.788 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)c1ccc(N2CCOCC2)cc1 64024958 DOKVCICXANHWLP-UHFFFAOYSA-N 364.405 2.503 0 50 FFAA CCN1CC[C@H](N2CCN([C@H]3CCc4ccccc4C3)CC2)CCC1=O 23358272 XXCSSSMALOSUMJ-RTWAWAEBSA-N 355.526 2.563 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCN(c3ccc(Cl)nn3)CC1)CO2 65504445 UQDRCACATPWWCK-UHFFFAOYSA-N 372.856 2.737 0 50 FFAA C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 229646378 IRLIVQDWVAIOQE-WCQYABFASA-N 366.405 2.660 0 50 FFAA COc1ccc(CCC2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)cc1 331642404 PPTGSNICQDYTQC-LJQANCHMSA-N 367.511 2.849 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1C 39485841 SGPXHWRXOFUCPE-HXUWFJFHSA-N 374.504 2.809 0 50 FFAA CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCOc3cc(F)ccc32)C1 328595175 MZPPOEZXYJNKLM-OAHLLOKOSA-N 368.380 2.756 0 50 FFAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)C1(O)CCCC1 332180364 YSIPCSBNAZYABK-GFCCVEGCSA-N 358.360 2.585 0 50 FFAA Cc1ccc2nc(CCCNc3ncnc4c3CCNCC4)[nH]c2c1C 72435145 BRPMGKXUTCXWOG-UHFFFAOYSA-N 350.470 2.703 0 50 FFAA O=C(c1cc(Cl)c[nH]c1=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 216371807 BHUZGUNVCYAFFK-WBVHZDCISA-N 371.868 2.765 0 50 FFAA CCCCc1nn(CC(=O)N2CCC[C@H](C)C2)c(=O)n1Cc1ccccc1 77505072 GXWHPNNPNKRYKY-KRWDZBQOSA-N 370.497 2.694 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1coc3ccccc13)CCO2 367698243 OMRLRIQAWYBGOK-UHFFFAOYSA-N 371.414 2.804 0 50 FFAA CCNC(=O)[C@@H]1CCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 71748216 QKBNIJFEPXBRJB-CYBMUJFWSA-N 361.417 2.756 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2C)C(C)C)C1 72441941 XOXQCJPPUIFYGJ-SJLPKXTDSA-N 366.527 2.870 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCC[C@@H](CCc2c(F)cccc2F)C1 72150460 HLTDTTBDXWKNED-HNNXBMFYSA-N 374.497 2.891 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c2ccc(F)cc2n1 72147401 NELMKMHJALDNHP-IBGZPJMESA-N 357.385 2.739 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C1CCOCC1 238103545 OUAFEDIYTWENKY-ZIAGYGMSSA-N 371.355 2.901 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2cccc(C)c2n1 72151742 GXWSXGISHCUMBP-HXUWFJFHSA-N 353.422 2.908 0 50 FFAA c1csc(-c2ncc(CN3CCCO[C@@H](Cn4cccn4)C3)cn2)c1 216147114 VMGHDOANNRGIGW-MRXNPFEDSA-N 355.467 2.693 0 50 FFAA COc1cc2c(cc1CN1CCN(Cc3cccc(F)c3)CC1)OCCO2 72154065 PPYVVVYGOQGLGH-UHFFFAOYSA-N 372.440 2.923 0 50 FFAA O=C(O)c1cccc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)n1 263391468 GKPFHGKBHATEQO-AWEZNQCLSA-N 365.389 2.925 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CNC2 72166252 UQGFAZVEEZGWEI-UHFFFAOYSA-N 363.469 2.799 0 50 FFAA O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1 44720811 XZTVENXGDRALML-LLVKDONJSA-N 353.827 2.765 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(CC(C)C)s2)CC1 47075488 YNGSFRDADZNSMS-UHFFFAOYSA-N 367.519 2.849 0 50 FFAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCC[C@@H](C)C3)nn2)ccc1C 16649605 LLMCBQZWHRQEFC-CQSZACIVSA-N 374.510 2.987 0 50 FFAA Nc1nnc(CCNC(=O)c2cccc(N3Cc4ccccc4C3)c2)s1 223336137 BKSXPKYCPFZZBF-UHFFFAOYSA-N 365.462 2.613 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(c2cc(C3CC3)ncn2)CC1 82099540 YSDBHCPTJATHQI-UHFFFAOYSA-N 369.421 2.865 0 50 FFAA CN1Cc2ccc(CN(C)C(=O)NCCc3cn4ccsc4n3)cc2C1 426701663 RXZGYCWBEBLEDR-UHFFFAOYSA-N 369.494 2.725 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCNC2)CC1 289145128 FYIYLQMWZNGEQI-NRFANRHFSA-N 363.505 2.715 0 50 FFAA CCOC(=O)c1ccc(-c2ccc(C(=O)N(C)[C@H](C)CC(N)=O)cc2)cc1 426420283 WFNCTCRKBXXIHN-CQSZACIVSA-N 368.433 2.866 0 50 FFAA CSc1nccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1 82126891 YLGKISWTPZURSQ-UHFFFAOYSA-N 372.498 2.540 0 50 FFAA Cc1ccccc1CN1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1 92064977 LXADQHHNQRVYJP-HXUWFJFHSA-N 355.526 2.904 0 50 FFAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](CS(C)(=O)=O)C1)CC2 292516195 FFZQXLUHMSXFJK-KDOFPFPSSA-N 364.511 2.873 0 50 FFAA FC(F)(F)CCN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91974065 ZVHUACSHASIQBO-UHFFFAOYSA-N 368.407 2.990 0 50 FFAA CCN(CC)CCN(CC)C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O 91871869 ISGOZSLRTJICGJ-UHFFFAOYSA-N 356.470 2.549 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C[C@@H]3CCCCO3)CC2)CC1=O 91779678 KEQFRMLSXGJCDN-KRWDZBQOSA-N 361.486 2.675 0 50 FFAA Cc1cc(N2CCC(NCCC[C@H]3CCOC3)CC2)nc(N2CCCC2)n1 95499855 OCHUNMKBVNOJHK-SFHVURJKSA-N 373.545 2.760 0 50 FFAA CCN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)OC(C)(C)C1=O 95523401 YFTQOBCKFKENTK-UHFFFAOYSA-N 356.781 2.585 0 50 FFAA CC[C@@H](C)Oc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)ccn1 180307134 CXZWXAOUGKCWJL-GDBMZVCRSA-N 369.469 2.816 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 91486893 DCXIQHJWHVWYCU-QGZVFWFLSA-N 370.453 2.508 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H]1COc2ccccc2C1 91645377 KBUCNQNTNGCIKH-CYBMUJFWSA-N 353.344 2.578 0 50 FFAA O=C(Cc1ccncc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 95502863 KMIUNVYJDSOWNE-LJQANCHMSA-N 361.449 2.670 0 50 FFAA CCc1nnc(CNC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)s1 244708311 KRKFLMFVIIBPMZ-NSHDSACASA-N 366.446 2.919 0 50 FFAA Cc1cccn2c(CC(=O)N[C@@H](c3cccs3)[C@H]3C[C@@H](O)C3)cnc12 252535661 GNZPQTJZNJMZND-QIIPPGSGSA-N 355.463 2.875 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 299749480 KMOPJIKNQUWDKJ-PBHICJAKSA-N 372.446 2.624 0 50 FFAA O=C(NCC1(Cn2ccnc2)CC1)N1CCCN(Cc2cccs2)CC1 534588164 GPLOTOQCZMANQD-UHFFFAOYSA-N 373.526 2.642 0 50 FFAA CC[C@H](NC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1)c1cnn(C)c1 534632401 GGVIIMWVXBXQCC-KRWDZBQOSA-N 364.453 2.824 0 50 FFAA CCCc1ccc([C@H](C)NC(=O)N2CCCN(C(=O)COC)CC2)cc1 534657570 NOCSKRBDBKDTDB-INIZCTEOSA-N 361.486 2.590 0 50 FFAA COc1ccc([C@@]2(C(=O)NCCCc3nnc(N)s3)CC2(C)C)cc1 299788452 PKPVYCMIQYJSMP-GOSISDBHSA-N 360.483 2.546 0 50 FFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(-c3ccccc3F)cc2)C1 299757221 JRJLTOYCAFQYQQ-QAPCUYQASA-N 356.397 2.722 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 298007080 ATIMYEVQZNXNHW-CQSZACIVSA-N 355.467 2.833 0 50 FFAA Cc1nc([C@@H](C)NC(=O)Nc2cccc(-n3nnnc3C)c2)c(C)s1 299779434 VMLGDYCUCQXJCR-SECBINFHSA-N 357.443 2.927 0 50 FFAA CCSc1nc2ccc(NC(=O)N3Cc4cnn(CCO)c4C3)cc2o1 299759147 PKRDIPLBJQWGOF-UHFFFAOYSA-N 373.438 2.676 0 50 FFAA COc1ccc([C@@H](NC(=O)Cn2nc(C)cc2C)c2ccncc2)cc1 670442308 SOYAPFAPCFLTGH-HXUWFJFHSA-N 350.422 2.809 0 50 FFAA O=C(Cc1ccc2c(c1)COC2)N=c1ccn(-c2ncccc2Cl)[nH]1 1875259629 UOPWARJKRGCMIL-UHFFFAOYSA-N 354.797 2.554 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@@H](C)c2cc(C)ccn2)[C@H]1c1cnn(C)c1 952887247 MDNNHULCGXIAGZ-YRNRMSPPSA-N 355.486 2.774 0 50 FFAA O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[C@H](O)C12CC2 1875302114 AILFWURGPOLGAB-AWEZNQCLSA-N 362.227 2.579 0 50 FFAA CCOc1ncccc1C(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952988293 NDGDHKWKJPWSFO-UHFFFAOYSA-N 367.409 2.915 0 50 FFAA O=C(CCC(=O)NC1(Cc2ccc(Cl)cc2)CC1)Nc1nncs1 952866671 DIHIGTLLRGQFCW-UHFFFAOYSA-N 364.858 2.802 0 50 FFAA FC(F)Oc1ccc(CNC[C@@H](c2ccccn2)N2CCOCC2)cc1 952987400 KNGKLNHSTJLYPW-SFHVURJKSA-N 363.408 2.846 0 50 FFAA CN1C(=O)C[C@@H](CNc2ncnc3ccc(F)cc23)[C@@H]1c1cccnc1 886039531 LOZUVNGFACSWQD-UGSOOPFHSA-N 351.385 2.795 0 50 FFAA CCCCC[C@H](C)NC(=O)CN1CCCc2c1cccc2S(C)(=O)=O 1334937942 XXWBOLZHHHANAW-HNNXBMFYSA-N 366.527 2.928 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 272363915 SPOFVLLWPGWRKZ-SOLBZPMBSA-N 359.514 2.564 0 50 FFAA CN(C)[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 170827006 RTZCXHSWLTWHPF-SFHVURJKSA-N 364.921 2.650 0 50 FFAA C[C@H](CNC(=O)N1CC2(CCCC2)c2c(F)cccc21)N1CCOCC1 194778304 QEDPGVAGZHQWSE-OAHLLOKOSA-N 361.461 2.888 0 50 FFAA COc1ccc2c(C)cc(NCCCN3CCC[C@@H](C(N)=O)C3)nc2c1 1506412372 XTAOPRPGQAPXSL-OAHLLOKOSA-N 356.470 2.551 0 50 FFAA Cc1cc(N2CCOc3ccc(Cl)cc3C2)nc(N2CCOCC2)n1 1506400211 VFQIOLLOXNTPAK-UHFFFAOYSA-N 360.845 2.674 0 50 FFAA Cc1ccc(CN(CCCO)C(=O)c2cc(C(C)(C)C)nc(O)n2)cc1 1506401010 HQPNIAAHHRQZKJ-UHFFFAOYSA-N 357.454 2.813 0 50 FFAA CCc1nn(C)c(Cl)c1CN1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1529181407 NWTIXRSFQPETDA-WBMJQRKESA-N 352.866 2.622 0 50 FFAA COc1cccc2c1C1(CCN(c3nnc4ccccn34)CC1)OCC2 1704316369 ZEDFGVUFDHYKGI-UHFFFAOYSA-N 350.422 2.806 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCCN([C@H]2CCSC2)CC1 1772814447 ZPIYJHDGRVBWCG-HNNXBMFYSA-N 350.532 2.680 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cccc(F)c1 11838336 HNWZSJGCQXLXLH-FQEVSTJZSA-N 360.404 2.608 0 50 FFAA O=C(NCc1ccccc1)N[C@H]1CC(=O)N(CCCc2ccccc2)C1 12301863 JZZDEKJONZJNAR-IBGZPJMESA-N 351.450 2.720 0 50 FFAA COCCNC(=O)c1cccc(OC2CCN([C@@H](C)CSC)CC2)c1 12431522 ZQFZXCZAYZQODA-HNNXBMFYSA-N 366.527 2.658 0 50 FFAA CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1cc(F)cc(F)c1)CC2 14531939 YRECXOZWTCBNHW-UHFFFAOYSA-N 365.424 2.849 0 50 FFAA CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 16649153 YRVCERBIYZSXAL-UHFFFAOYSA-N 358.463 2.743 0 50 FFAA COc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)c(OC)c1 18137941 ZIGOUINQPFAALB-UHFFFAOYSA-N 358.467 2.618 0 50 FFAA O=C(CCCN1CCCC1=O)NCc1cccnc1N1CCCCCCC1 19147349 CBRGGABJRHCSNO-UHFFFAOYSA-N 372.513 2.871 0 50 FFAA CC(C)n1ncc2c(C(=O)O)cc(C=Cc3cnc(N(C)C)nc3)nc21 1857528798 ZKIAIDCNDQXTHN-UHFFFAOYSA-N 352.398 2.737 0 50 FFAA CC1(C(=O)N2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)CCCC1 1857713408 HQLFEGJMMLZNEP-FVJLSDCUSA-N 354.450 2.868 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)OCCC1=O 1857721921 MMCSVAICEZXJGW-UHFFFAOYSA-N 356.422 2.676 0 50 FFAA O=C1[C@H](Nc2ncc(Br)cn2)CCCN1c1ccccc1F 301880946 VRTMKIPNJPXCFA-GFCCVEGCSA-N 365.206 2.986 0 50 FFAA COc1cccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c1 219612727 YYWYRNNOQJEREB-MOPGFXCFSA-N 370.493 2.877 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n(C)n1 331497740 DNIOGPGJGXUCJX-FZMZJTMJSA-N 353.344 2.695 0 50 FFAA O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCc2c(F)cccc2C1 162118953 PNQKKKJTKNSMIH-UHFFFAOYSA-N 365.408 2.970 0 50 FFAA CC(C)Cn1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)cn1 266512799 CISDLRDDQKUDLW-LJQANCHMSA-N 356.470 2.676 0 50 FFAA Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 804513171 FXAKUIISWGPMSD-JXFKEZNVSA-N 353.466 2.795 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 2100541278 YUHKDAYQLMJVOO-KXBFYZLASA-N 364.873 2.675 0 50 FFAA Cn1nc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2c1=O 1114357 IXGAAIMIQGJJAI-INIZCTEOSA-N 363.417 2.509 0 50 FFAA COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 1168145 OQGVXBMTGWLGKA-HNNXBMFYSA-N 352.390 2.773 0 50 FFAA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 1170221 DKJFPEAZNFFPED-UHFFFAOYSA-N 359.426 2.789 0 50 FFAA CC(=O)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 1195116 GDUYVVHTHBFVGI-NSHDSACASA-N 351.122 2.656 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCNC(=O)CC3)cc2)c2sccc2n1 2356141517 FLVPLTKJGJFKSX-UHFFFAOYSA-N 366.446 2.629 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4828341 JBDPXSSBWLUGDK-DLBZAZTESA-N 360.410 2.746 0 50 FFAA COCCc1noc([C@H](C)NC(=O)CCn2c(C)cc3ccccc32)n1 55098973 FIAAEWBBZXPDCC-AWEZNQCLSA-N 356.426 2.789 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2)c1 67947742 PRIMGOGMPOHJRH-UHFFFAOYSA-N 356.470 2.674 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2nn3cc(C)cnc3c2Cl)C1 67690444 HJUMFUSAIVQENK-CYBMUJFWSA-N 372.860 2.996 0 50 FFAA Cc1c(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c2cc(O)ccc2n1C 67541103 XAXKIFJSWPJWBI-UHFFFAOYSA-N 369.465 2.715 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)Cn2cc3ccccc3n2)C[C@H]1O 65496110 CXGGWJZUOHMSED-NVXWUHKLSA-N 355.463 2.783 0 50 FFAA COCCN(Cc1cccnc1)C(=O)c1nc2ccc(Cl)cn2c1F 215684881 MMQVMBKYMOYVTI-UHFFFAOYSA-N 362.792 2.811 0 50 FFAA CC(C)N(CC1CC1)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71768028 UEMDLEJZQBXXBJ-QGZVFWFLSA-N 373.497 2.623 0 50 FFAA Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)n1 67803762 ZFXXYUDHPDDPLS-INIZCTEOSA-N 354.454 2.613 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3nccs3)cnn2c1 67689359 SQTKTVXYOYQGGK-ZDUSSCGKSA-N 372.498 2.861 0 50 FFAA COc1cc2c(cc1CN1CCN(Cc3cccnc3)CC1)OCCCO2 215520241 ASUWMXBQGHSAMP-UHFFFAOYSA-N 369.465 2.569 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(c3nccc4occc34)CC2)CN1C(=O)C1CC1 72439643 FSVSPZWPZGVHLI-HNNXBMFYSA-N 369.421 2.510 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(Cc3cccc(O)c3)C3CC3)cnc21 77286859 VXEYCQALZKUWRH-UHFFFAOYSA-N 351.410 2.544 0 50 FFAA CNC(=O)c1ccc(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cc1 328621914 IBCUOIYGIUTSMY-QGZVFWFLSA-N 372.469 2.810 0 50 FFAA O=C(Cn1c(=O)nc(O)c2ccccc21)N1CCC[C@@H]1C1CCCCC1 328861944 AUTIVMOOPHMHJR-MRXNPFEDSA-N 355.438 2.673 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 77379180 HWWYXJVFAYGWHT-CQSZACIVSA-N 353.401 2.969 0 50 FFAA c1ccc(-c2nc3c(c(NC[C@H]4OCCc5ccccc54)n2)CCNC3)nc1 77319645 LJIFMUWZOGZZNC-HXUWFJFHSA-N 373.460 2.910 0 50 FFAA O=C(Cc1ncccc1F)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 376439292 BVVXNWCLOIKIEV-HNNXBMFYSA-N 365.412 2.955 0 50 FFAA Cc1noc(C)c1CN1CCC(C(=O)O)(n2ccc(-c3ccco3)n2)CC1 72457369 BCFGGXVEMRZIHH-UHFFFAOYSA-N 370.409 2.824 0 50 FFAA COCc1ccc(C(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)s1 215655008 JJXURBYVRURNPQ-UHFFFAOYSA-N 354.435 2.878 0 50 FFAA C[C@@H]1[C@@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 334127675 QRGQGLWPBABFQS-APWZRJJASA-N 367.497 2.541 0 50 FFAA Cc1c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)nnn1C1CCNCC1 237784390 JWFOROKXABYMQG-UHFFFAOYSA-N 373.432 2.834 0 50 FFAA Clc1ccccc1[C@H](CN[C@H]1CCN2CCC[C@H]2C1)N1CCOCC1 242191383 XFCFIISPYICRJF-ZWOKBUDYSA-N 363.933 2.930 0 50 FFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)O)c12 263290271 WAHGXNJDBJYMTB-ZDUSSCGKSA-N 357.410 2.982 0 50 FFAA CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1ccc(OCCN2CCCC2)cc1 456000187 QOBDZTFUJGNTBR-VQTJNVASSA-N 368.481 2.661 0 50 FFAA CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)C1 176047874 BTPRCSFPFPZJKP-VQTJNVASSA-N 359.514 2.619 0 50 FFAA CSc1ncc(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1 82161640 SOXUZLCRHMNEJD-UHFFFAOYSA-N 357.414 2.796 0 50 FFAA C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC=C(c2cccnc2)C1 289283480 GLDJUPVLFCUXJQ-CQSZACIVSA-N 351.406 2.927 0 50 FFAA CCc1ccccc1OC1CN(C(=O)Nc2cccc3nn(C)nc23)C1 426552015 QZIMWWICYURVGD-UHFFFAOYSA-N 351.410 2.826 0 50 FFAA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1)c1n[nH]c2c1CCCC2 222764912 KDJDBIFHRYXVNE-WQDJSCAQSA-N 351.450 2.665 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@@]23C=C[C@H]1O3 226888154 VDJAQCCFKHDKBN-NNFUDEMPSA-N 361.825 2.970 0 50 FFAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1cc(=O)c2ccccc2o1 223313167 AQBVARQGKCUHIW-KRWDZBQOSA-N 374.400 2.946 0 50 FFAA O=C([C@@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91755619 JSYSSDJUXMSCPO-FQEVSTJZSA-N 350.462 2.584 0 50 FFAA CC(C)n1cc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)cn1 97743635 SGMUBNYOWDENGB-QGZVFWFLSA-N 351.414 2.762 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1c1ccc(C)o1 92099924 MDPVVIKVVVIMES-IAGOWNOFSA-N 358.463 2.811 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCc2sc(C(=O)NC)cc2C1 91664992 FNANCRSSHFPPTA-UHFFFAOYSA-N 360.483 2.646 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(c2ccccc2C)CC1 95390242 RMDWSFPLIILMJO-SFHVURJKSA-N 359.470 2.655 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 95379626 VKGYDMCEIWBCRD-IBGZPJMESA-N 366.440 2.808 0 50 FFAA COc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1Cl 97574903 YUFMYAXTWAVNEZ-UHFFFAOYSA-N 353.850 2.677 0 50 FFAA CS(=O)(=O)Nc1ccc(F)c(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 97632146 OGJOFENKGZOKBT-TXEJJXNPSA-N 353.419 2.627 0 50 FFAA CCCn1ncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1C 95528157 DFQXOVSUHIMJNX-MAUKXSAKSA-N 373.526 2.681 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NC1CCN(Cc3ccco3)CC1)C2 91325624 HAQZAANWWGRSKW-MRXNPFEDSA-N 370.449 2.620 0 50 FFAA CCn1c(CN(C)CCOc2ccc(C)cc2C)nnc1[C@H]1C[C@@H](N)C1 252549828 RVFWLEALXVIJFZ-CALCHBBNSA-N 357.502 2.630 0 50 FFAA CC(C)Oc1ncc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1Cl 299751496 QSNJJYFRTVFSMY-UHFFFAOYSA-N 370.833 2.618 0 50 FFAA Cc1ccc(C2(O)CCN(Cc3nc(O)c4sccc4n3)CC2)nc1 253536943 RBYBLSHQOCSVDC-UHFFFAOYSA-N 356.451 2.584 0 50 FFAA CCc1nc(CN2CCCN(C(=O)C3(COC)CCC3)CC2)cs1 370277959 AGBMVGAMBISWNX-UHFFFAOYSA-N 351.516 2.557 0 50 FFAA O=C(CCN1CCOCC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 299783310 YYFRBJYHGNMQCV-LJQANCHMSA-N 359.857 2.663 0 50 FFAA Cc1cc(C)n(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)c(=O)n1 825533956 NIYOWZHARYOSOI-UHFFFAOYSA-N 359.857 2.752 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 163488867 DRDRPVMKCAOJTB-LBPRGKRZSA-N 373.265 2.558 0 50 FFAA CC(C)c1c[nH]nc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H](C)C1 1875344650 OEUURWBNCREZJQ-KBMXLJTQSA-N 358.486 2.690 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2N2CCCC2)CC1 1875365582 CSNVBUYJSOVGDO-UHFFFAOYSA-N 355.482 2.670 0 50 FFAA O=C(NC1CN(C(=O)CCc2ccncc2)C1)[C@@H]1CCCC2(CCC2)C1 1875338841 NNSHTGDFJCCQBM-QGZVFWFLSA-N 355.482 2.702 0 50 FFAA Cc1ncc(CNCC2(NC(=O)Cc3ccc(F)cc3)CCCC2)cn1 1875374415 OYADRZRXNWHIOS-UHFFFAOYSA-N 356.445 2.685 0 50 FFAA CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc(Nc2ncccn2)cc1 1875369720 CLVQIRGHHQUSJK-UAGQMJEPSA-N 366.421 2.776 0 50 FFAA C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H](C)[C@@H]1N=c1[nH]c(Cl)ncc1Cl 1875407796 HYIDYLTUWAIGHN-HMUNZLOLSA-N 357.285 2.756 0 50 FFAA O=C(Cc1ccco1)N1C[C@@H]2CN(C(=O)CC34CCC(CC3)C4)C[C@@H]2C1 1875407438 ZZJDSNPCKVZTLE-RWUJISRFSA-N 356.466 2.709 0 50 FFAA Cc1ccc(F)cc1C(=O)NCC1CCN(c2ncccc2C(=O)O)CC1 952985478 BPYLLIREOFHJGL-UHFFFAOYSA-N 371.412 2.874 0 50 FFAA CCCN(CCc1ccccc1)S(=O)(=O)N1CCC[C@@H](COC)C1 952982277 WZYHWKLQTRYHSG-GOSISDBHSA-N 354.516 2.544 0 50 FFAA Nc1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2-n2cncn2)nn1 886079888 BFOAMOZXKHQBCU-HNNXBMFYSA-N 355.833 2.630 0 50 FFAA CS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2C[C@@H]3CC[C@H]2C3)cc1 1565511123 VCXDBZFLSFSBJG-HIFRSBDPSA-N 356.447 2.777 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565526527 QETDDUZVXQHSGU-IRXDYDNUSA-N 362.376 2.645 0 50 FFAA CN(Cc1ccc([S@@](C)=O)cc1)C1CCN(C(=O)c2ccco2)CC1 170602803 QNFHEDFNAVXSLX-RUZDIDTESA-N 360.479 2.754 0 50 FFAA O=C(O)c1cccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 191649995 HZIIIDKLKPTHKX-OAHLLOKOSA-N 358.781 2.574 0 50 FFAA COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CCCc2cccnc21 193878696 GMAIOAZPJDRAKI-HNNXBMFYSA-N 356.422 2.844 0 50 FFAA O=C(c1ccc[nH]1)N1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 211373396 FTKWROXGADFRSD-CVEARBPZSA-N 359.813 2.556 0 50 FFAA Fc1cnc(NCc2csc(-c3cnccn3)n2)nc1N1CCCC1 1529103982 JIHWTMRHTFFMGF-UHFFFAOYSA-N 357.418 2.742 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3c(C)nn(-c4ccccc4)c3C)C[C@@H]2O)on1 1529144173 PRWNQRBGCJHQHS-UTKZUKDTSA-N 366.465 2.821 0 50 FFAA Cc1nccn1CCCN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704339939 ZZONOHKQSBYFFE-WIYYLYMNSA-N 350.466 2.665 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)CN(C)C3CCCC3)CC1)OCC2 1704329362 TZOHKXUGVZIOEL-UHFFFAOYSA-N 372.509 2.960 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 237634542 XZKJAAYCKWGMQY-DTWKUNHWSA-N 367.696 2.603 0 50 FFAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)c1ccc3oc(O)nc3c1)C2 1704297296 LHKBRWUELBXJQG-NVXWUHKLSA-N 366.439 2.503 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616078899 BWHUKIQMTIQLGU-ICSRJNTNSA-N 369.465 2.508 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2CC(Cc3ccc(F)cc3)=NO2)cc1 11963093 GIFBEALGZAAICE-LJQANCHMSA-N 356.397 2.881 0 50 FFAA CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 19520189 KUZAMBYQIYOUMS-UHFFFAOYSA-N 360.479 2.592 0 50 FFAA COc1cccc(Cl)c1CC(=O)N=[S@@]1(=O)CCC[C@@]2(CCCN2)C1 1857530431 OCYOMRVAANZQOG-BXKMTCNYSA-N 370.902 2.802 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1nc(-c3ccccc3)oc1C)C2 1857680930 YFOHRZKCRDBWSE-FQEVSTJZSA-N 369.421 2.636 0 50 FFAA C[C@@H]1CN(Cc2nc(O)c3sccc3n2)CCN1c1ccc(F)cn1 1857681901 PULKCQOFQMASNP-LLVKDONJSA-N 359.430 2.642 0 50 FFAA O=C(c1cc(O)nc2ccccc12)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857721858 JDUROUNYKJYICQ-ICSRJNTNSA-N 364.401 2.515 0 50 FFAA Cn1cccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857739191 LUMDYWCGHUHYPF-XYJFISCASA-N 359.857 2.623 0 50 FFAA COC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc(C)c1C 916927 OIDDOXKDCRQUHP-ZDUSSCGKSA-N 373.434 2.913 0 50 FFAA CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H](C(=O)O)C1 236612369 XHKHLZGYCKHDEY-SNVBAGLBSA-N 356.216 2.783 0 50 FFAA C[C@H](N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1cc2ccccc2o1 240454742 FYKIRXDCHDIKBX-HOCLYGCPSA-N 352.438 2.846 0 50 FFAA COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(N(C)C)nc2)cc1 470237347 PCOPDCDVFICOFZ-KRWDZBQOSA-N 361.467 2.682 0 50 FFAA Cc1c(CC(=O)N2CCC[C@@H](N3CCCC3)CC2)nnn1-c1ccccc1 265691004 YBBCYNIQNOZZQG-GOSISDBHSA-N 367.497 2.595 0 50 FFAA O=C1CC[C@@H](c2ccccc2NC(=O)c2ccnn2CC(F)(F)F)N1 913236754 LKINMFBUIDOQLJ-LBPRGKRZSA-N 352.316 2.649 0 50 FFAA CCc1nc(O)ccc1C(=O)N1CCN(c2nsc3ccccc23)CC1 2100555288 PHXITUPHNQNBNF-UHFFFAOYSA-N 368.462 2.922 0 50 FFAA FC(F)C[C@@H]1CN(Cc2cnc3cc(Br)ccn23)CCN1 2325791962 MKSWSYUQLHAKJA-LLVKDONJSA-N 359.218 2.526 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 632226 XRTLVSRKIHXTIC-UHFFFAOYSA-N 354.834 2.990 0 50 FFAA Cc1nn(C(=O)c2ccccc2)c(C)c1CN1C(=O)c2ccccc2C1=O 1126112 OLGQSLDECBTBAO-UHFFFAOYSA-N 359.385 2.985 0 50 FFAA COCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3OC)cc2C1=O 2330343 SEPHSKLBELDNJX-UHFFFAOYSA-N 368.389 2.580 0 50 FFAA CC(C)(C)c1nnc2ccc(NC[C@H]3CCN(c4ccccc4F)C3)nn12 461886682 CDFPKMKBXLWPSG-CQSZACIVSA-N 368.460 3.499 0 50 FFAA Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc(C)c1Cl 4832515 KSTKXSDCDJVKDO-UHFFFAOYSA-N 358.781 2.858 0 50 FFAA O=C([C@H](O)c1ccccc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4857341 XMELLPBLFVJOER-NVXWUHKLSA-N 364.323 2.608 0 50 FFAA C[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 6731029 JECAMYWEUHYMDE-VIFPVBQESA-N 350.440 2.568 0 50 FFAA Cc1cc(C)n2c(SCc3nnnn3-c3ccc(Cl)cc3)nnc2n1 9303094 RIBPFDZDHHUIEN-UHFFFAOYSA-N 372.845 2.663 0 50 FFAA CCc1nc(CNS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cs1 107704467 AOQJLVBSIMSQJN-BDJLRTHQSA-N 356.513 2.520 0 50 FFAA CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1cnc(COC)nc1 65403807 JNJJNMUZRNISPK-CQSZACIVSA-N 356.382 2.666 0 50 FFAA Cc1cccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 21794988 OCFOPFNKRWYNEI-UHFFFAOYSA-N 354.458 2.514 0 50 FFAA Cn1cc(CCCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 171262497 MXFRTZUVNJMRSG-UHFFFAOYSA-N 361.877 2.538 0 50 FFAA Cc1ncccc1OC1(C(=O)NCc2cccc3[nH]ccc23)CCNCC1 67954562 CIPWAZBRCYHYJP-UHFFFAOYSA-N 364.449 2.689 0 50 FFAA CC[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2cccs2)CCN1 67435091 QFIHCBSVVBWVGB-AWEZNQCLSA-N 357.479 2.849 0 50 FFAA Cn1c(O)ncc(C(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)c1=O 331863529 GAFJKPBKXSTCNT-MRXNPFEDSA-N 355.438 2.761 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1CCC(OCc2cccnc2)CC1 219872791 LOVWQHQRZCSUSQ-UHFFFAOYSA-N 364.339 2.506 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc23)no1)C(=O)O 218338786 VEWGJRXPIOULQD-DIFFPNOSSA-N 370.409 2.766 0 50 FFAA Cc1nc(CN2CCN(C(=O)c3cccc(-c4ccco4)c3)CC2)no1 219446654 YESUZYVQAJTNJQ-UHFFFAOYSA-N 352.394 2.596 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1Cl 72540069 XVXFZGUACVHQLH-QWHCGFSZSA-N 351.834 2.827 0 50 FFAA C[C@H]1CCCN1Cc1cc2n(n1)CCN(CCOc1ccc(F)cc1)C2 72158792 RCAUAFQMJGBABN-INIZCTEOSA-N 358.461 2.901 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCO[C@H](c2ccc(F)cc2)C1 363335867 XBKQFAKZOVYYRW-ROUUACIJSA-N 374.416 2.807 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1 77504444 DODYZDYHRSAFHR-LJQANCHMSA-N 358.413 2.607 0 50 FFAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H](c1ccccc1)C1CCCC1 215489593 QCWZLPIUXKIIAZ-SFHVURJKSA-N 362.437 2.852 0 50 FFAA O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccc2c(c1)CCC(=O)N2 238049136 JRYDJWPAGIPSHE-UHFFFAOYSA-N 364.401 2.770 0 50 FFAA Cn1ccnc1CC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 77438716 CRTZEBQLUPRIQF-INIZCTEOSA-N 355.438 2.705 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 219846092 MFBDYLJOUXEQNR-IAGOWNOFSA-N 365.351 2.999 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)CCCN3CCOCC3)C2)c1 77379950 RDXLYQVGMWJYAW-LJQANCHMSA-N 360.498 2.725 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1 72432656 UWCWCIUXTWNNOR-UHFFFAOYSA-N 367.493 2.743 0 50 FFAA Cc1nc(N(C)C)nc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1C 77540910 SWYVZVIJLYBITK-HXUWFJFHSA-N 357.502 2.531 0 50 FFAA CCN(C)C(=O)[C@@H](C)NC(=O)NCc1ccc(COc2ccccc2)cc1 241447005 NQKCBSMBEBBZCB-MRXNPFEDSA-N 369.465 2.932 0 50 FFAA CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 47542168 UZOATAZHUDPAJI-UHFFFAOYSA-N 358.435 2.504 0 50 FFAA Cc1cccc([C@H]2CCCN(C(=O)NCCCN3CCC(O)CC3)C2)c1 426470540 GQZVBKZECWJGHU-IBGZPJMESA-N 359.514 2.731 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cc(F)cc(F)c3)C2)CN1CCCO 82109109 WCYKMKKJRMAHKJ-IBGZPJMESA-N 352.425 2.552 0 50 FFAA CCn1ncc(NC(=O)Cn2ccc(-c3cccc(C(F)(F)F)c3)n2)n1 48337796 XUKWSLWQTFZRIU-UHFFFAOYSA-N 364.331 2.819 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)NCCc3nncn3C(C)C)cc2)n1 426615237 ZQSCTCAZXNRIEN-UHFFFAOYSA-N 364.453 2.905 0 50 FFAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426398288 ZRKNMZHQWRXTRC-LJQANCHMSA-N 367.449 2.879 0 50 FFAA O=C(NCCN1CCCc2ccccc21)c1cnc(-c2cccnc2)nc1 95361366 YXZWNNPGTSCWRI-UHFFFAOYSA-N 359.433 2.721 0 50 FFAA Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1 96162706 HLARYGUWZBJOLD-UHFFFAOYSA-N 356.401 2.866 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N(CCO)Cc1ccc(F)cc1 97654109 BPOZVWORRFSKPY-UHFFFAOYSA-N 366.396 2.994 0 50 FFAA C[C@@]1(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)CCCO1 95502567 BEJZUSCNSZYLRF-FQEVSTJZSA-N 354.454 2.602 0 50 FFAA CCc1cc(N2CCN(C(=O)NC[C@H]3CC[C@@H]4C[C@H]3C4(C)C)CC2)ncn1 426370907 FAMJLAPDHBUPEU-JFIYKMOQSA-N 371.529 2.943 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1 95507012 XVZOOFQNUDLYKR-MRXNPFEDSA-N 354.410 2.805 0 50 FFAA CCCS(=O)(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95374102 IVFNQAOEZPAJHO-BMGDILEWSA-N 370.465 2.567 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC[C@@]2(CCOC2)C1 91665359 DVMISFCWYDGWHC-GOSISDBHSA-N 351.830 2.683 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 97732868 TZXRHORJPMFINM-QGZVFWFLSA-N 360.841 2.800 0 50 FFAA Cc1c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)oc2ccccc12 95527473 HHRQQTLKDKKXFV-MRXNPFEDSA-N 363.417 2.801 0 50 FFAA CCc1ccc(S(=O)(=O)NC[C@@H]2COc3c(cccc3OC)C2)s1 95374341 NPRFAWJOJZCENE-GFCCVEGCSA-N 367.492 2.849 0 50 FFAA Cc1nc2ccc(NC(=O)N3CCN(c4cccnc4)CC3)cc2nc1C 96163789 MXYYJQMYUBYVAV-UHFFFAOYSA-N 362.437 2.996 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)n1C 252571011 XOBSGUXUGOYIRN-QKLQHJQFSA-N 354.450 2.819 0 50 FFAA Cc1noc(C)c1CN(C)Cc1cc2n(n1)CCCN(C[C@H]1CCCO1)C2 254627041 OGEKMDDWDVPKCP-LJQANCHMSA-N 373.501 2.505 0 50 FFAA O=C(O)Cc1cc(C2CCN(Cc3cc4ccccc4nc3O)CC2)[nH]n1 253536147 JKARCNSYYKPVKS-UHFFFAOYSA-N 366.421 2.670 0 50 FFAA CC[C@@H](NC(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccnn1C 534580237 QLGCFIXIIPHFDD-OAHLLOKOSA-N 360.458 2.773 0 50 FFAA Nc1n[nH]c2ccc(-c3cccc(C(=O)N[C@H]4CN5CCC4CC5)c3)cc12 534663504 ZRXXVMAGRCEKGK-IBGZPJMESA-N 361.449 2.636 0 50 FFAA Cc1nc(NC(=O)CN2CCCC[C@H]2c2ccccn2)sc1C(=O)O 299767294 FWKMBVLHFYMECQ-ZDUSSCGKSA-N 360.439 2.710 0 50 FFAA CCN(CCN1CCOCC1)C(=O)Nc1ccc(-n2nc(C)cc2C)cc1 299776336 JXQMUBXMALXVPH-UHFFFAOYSA-N 371.485 2.675 0 50 FFAA CNC(=O)Cc1nc(-c2cccc(OC)c2)cc(-c2c(C)noc2C)n1 823825694 LGRWDKMNWBVTPI-UHFFFAOYSA-N 352.394 2.713 0 50 FFAA Cc1ccc(NCCCNS(=O)(=O)Cc2ccccc2Cl)nc1 825195152 AOJNVPNDZLDGBR-UHFFFAOYSA-N 353.875 2.965 0 50 FFAA O=C(CSc1ncccn1)NCCN1CCC[C@H](c2ccccc2)C1 670444887 YLDUWDPBLMHPHO-KRWDZBQOSA-N 356.495 2.565 0 50 FFAA Cc1cccc(CS(=O)(=O)NC(=O)C[C@@H]2COCc3ccccc32)c1 1875294430 RRNHRKOCYPVROM-QGZVFWFLSA-N 359.447 2.645 0 50 FFAA CCOCc1ccccc1CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1 1875300239 SYBNPMKRVYWJKG-UHFFFAOYSA-N 353.378 2.728 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@@]21C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320545 TWIQDTZHQPMTJX-KANYHAFZSA-N 354.328 2.961 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@]21C(=O)O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320544 TWIQDTZHQPMTJX-IETSOEAISA-N 354.328 2.961 0 50 FFAA O=S(=O)(c1cccc(F)c1)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1 1875331982 HWTYHMIFAKISHE-CQSZACIVSA-N 357.353 2.946 0 50 FFAA CC(=O)N1CCN(C[C@H]2CC[C@@H](Cc3nc4ccccc4s3)O2)CC1 952854096 UDZSRTLVDBPTPW-JKSUJKDBSA-N 359.495 2.551 0 50 FFAA NC[C@]1(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)CCCOC1 884448001 OTZJBSHJJHWYCN-MRXNPFEDSA-N 353.394 2.782 0 50 FFAA Cc1nnc([C@H]2CCCN(Cc3c(Br)cnn3C)[C@H]2C)o1 886078332 WIYPEKUSSRVFME-ONGXEEELSA-N 354.252 2.642 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(C(=O)O)c2)C1 887557443 NVGDSTIPQRSYQI-CQSZACIVSA-N 373.478 2.744 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565530541 GGPKGDWVZDRBSD-SFTDATJTSA-N 366.461 2.677 0 50 FFAA Cn1ccnc1CN(Cc1cc(F)c(F)c(F)c1)[C@H]1CC12CCNCC2 275511662 BRZPWQCBOAUFRK-INIZCTEOSA-N 364.415 2.982 0 50 FFAA CCc1cc(N2CCC[C@@H](Nc3ccccc3S(=O)(=O)CC)C2)ncn1 276278058 HWVCWSMRCWMNAH-MRXNPFEDSA-N 374.510 2.914 0 50 FFAA O=C1CN(C(=O)CN2CCC(c3ccsc3)CC2)c2ccccc2N1 186913627 PGYCJDGNVQGAEL-UHFFFAOYSA-N 355.463 2.913 0 50 FFAA CN(C(=O)CCc1ccnn1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 190440038 ULAVAYVEFQKAAP-DOTOQJQBSA-N 368.264 2.776 0 50 FFAA Cc1noc2ncnc(N[C@H](C)CN3CCN(c4ccccc4)CC3)c12 192463298 QOWUMLQVVUVUQA-CQSZACIVSA-N 352.442 2.549 0 50 FFAA CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)nc(N)n1 1506425111 DKPGOAOEWPFARL-MRXNPFEDSA-N 360.483 2.830 0 50 FFAA O=C(CN1CCC([C@H](O)c2cccs2)CC1)NCCc1ccccc1 1529161182 AXTHBZBFNMSOFH-FQEVSTJZSA-N 358.507 2.852 0 50 FFAA CC(C)(C)C[C@H](NC(=O)c1cc(N2CCOCC2)no1)c1cccnc1 1772817455 PTTAMKWLPIJEPG-HNNXBMFYSA-N 358.442 2.814 0 50 FFAA Fc1cnc(N2CCOCC2)nc1Nc1cccc(Br)c1 5338046 GGOVPWUVRPUBAL-UHFFFAOYSA-N 353.195 2.958 0 50 FFAA CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2=O)cc1 11099111 HWRJLMWRUMKBEE-IIAWOOMASA-N 357.454 2.502 0 50 FFAA Cc1nc(CC(C)C)cc(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)n1 11814115 PUAHMIAAWWBXMA-UHFFFAOYSA-N 372.513 2.895 0 50 FFAA COc1ccccc1/C=C/CNCc1cccnc1N1CCC[C@H](O)C1 11816153 OOFQWQYZZSVSJR-AMGQUURNSA-N 353.466 2.854 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1 12746613 OUUGCRWWQCIDHL-INIZCTEOSA-N 362.495 2.857 0 50 FFAA COC(=O)CCC(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1 12760932 CIEUTXYJKQUGDM-UHFFFAOYSA-N 360.454 2.906 0 50 FFAA CC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1 14887819 HKJNULNDAVHHFX-IBGZPJMESA-N 353.466 2.885 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cnn(Cc4ccccc4)c3)n1)CCNC2 19957529 JZFWGKQJUAECLC-UHFFFAOYSA-N 372.432 2.998 0 50 FFAA O=C(c1ccsn1)N1C[C@H]2CCC[C@]2(c2nc(-c3cccnc3)no2)C1 1857528812 NHPCAJAQFNDASZ-ACJLOTCBSA-N 367.434 2.782 0 50 FFAA O=C([C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)N1CCC(O)CC1 1857673154 KHHXWWNLVKHVDL-GFCCVEGCSA-N 363.845 2.681 0 50 FFAA O=C([C@H]1COc2ccc(Cl)cc2C1)N1CC[C@@H](Oc2ccccn2)C1 330063533 QDTVKCOWFGBXSV-GDBMZVCRSA-N 358.825 2.966 0 50 FFAA COc1ccc(Cl)c2c1N(C(=O)C[C@@H]1CCCS(=O)(=O)C1)CCC2 333823869 JNMKOTAOLSZYKY-LBPRGKRZSA-N 371.886 2.843 0 50 FFAA O=C(O)CCN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CCOCC1 238065755 NOIFGARMPQMNKA-UHFFFAOYSA-N 359.344 2.730 0 50 FFAA C=CC(=O)N(C)CC(=O)NCc1ccc(OC(C)C)cc1C(F)(F)F 859098244 CLKQYMPSWZNCGZ-UHFFFAOYSA-N 358.360 2.753 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)Nc2cc(C)cc(C)c2)C1=O 2100539626 QNKYMTRBTKXNPQ-HXUWFJFHSA-N 359.470 2.939 0 50 FFAA Cc1cccc(CN(C)C2CCN(C(=O)c3ccn4nccc4n3)CC2)c1 2325822665 HNCAPPWAJJFZIJ-UHFFFAOYSA-N 363.465 2.774 0 50 FFAA Cc1cc(-c2nn[nH]n2)ccc1CN1C[C@@H](N2CCCC2)C[C@H]1C(C)C 2325826190 SSGCKPCJUYCKEX-OALUTQOASA-N 354.502 2.870 0 50 FFAA COc1ccccc1N1CCN(C(=S)NC(=O)c2cccs2)CC1 870311 JXFVCCYQPRRUKU-UHFFFAOYSA-N 361.492 2.594 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)c1cc2ccccc2oc1=O 1115428 VQSJDEUTPVXPOG-UHFFFAOYSA-N 364.386 2.744 0 50 FFAA aggregator CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1122759 IIHGAMCMLWTCKB-UHFFFAOYSA-N 362.451 2.517 0 50 FFAA Cc1cc(C)cc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 2989483 YWOULMZHJJIBPV-UHFFFAOYSA-N 372.556 2.717 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccc3c(ccn3C)c2)C1=O 2356136048 FGWHCPVLDYDVKW-NRFANRHFSA-N 355.482 2.782 0 50 FFAA COCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 3002380 QSQAHRAPOGEMCV-UHFFFAOYSA-N 370.356 2.853 0 50 FFAA CCn1cc(C(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccc(C)nc21 3017598 PGXVUYFOARFHHY-UHFFFAOYSA-N 367.405 2.994 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 4749126 XNSXMICJPJWXMJ-UHFFFAOYSA-N 352.390 2.946 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6726760 CMRMAQFDMFBWPC-IAGOWNOFSA-N 362.857 2.651 0 50 FFAA COc1cnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 225795716 WMZOHXMGXWXWRL-ZDUSSCGKSA-N 373.434 2.801 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 8914804 MRVGOMGLNMKYGZ-CYBMUJFWSA-N 359.209 2.811 0 50 FFAA Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1O 9426828 LQXAXLUFVHGBGL-UHFFFAOYSA-N 370.434 2.831 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)NC[C@]2(N(C)C)CCSC2)n1 469856409 MUAIYSWSIUZZRN-GOSISDBHSA-N 359.499 2.740 0 50 FFAA CCC[C@@H](C)c1nnc(NC(=O)c2cccnc2N2CCOCC2)s1 55358328 AQFXJLYAAHTEAU-GFCCVEGCSA-N 361.471 2.926 0 50 FFAA Cc1ccn2ncc(C(=O)NC3CCN([C@H](C)c4ccccc4)CC3)c2n1 116067583 UKDLWXSHFNJBII-MRXNPFEDSA-N 363.465 2.993 0 50 FFAA CN(CC(C)(C)CN1CCOCC1)[C@H]1CCCN(CCc2ccccc2)C1 20205837 PPEYNQBQDLCFFK-QFIPXVFZSA-N 373.585 2.984 0 50 FFAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 67612606 OYAYYVDDUOSBTQ-HZPDHXFCSA-N 366.527 2.531 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2c(F)cccc2F)CN1Cc1ccccc1 23361586 RSOPQNBUSAIRJG-JXFKEZNVSA-N 373.447 2.834 0 50 FFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1CC1(c2ccccc2)CCOCC1 348780300 OOKPKJWGRGJIME-LJQANCHMSA-N 364.445 2.898 0 50 FFAA C[C@H]1CCC[C@@H](C)N1Cc1cn(C2CCN(c3cnccn3)CC2)nn1 23505581 KGOUFHALWNQEMU-IYBDPMFKSA-N 355.490 2.673 0 50 FFAA COc1cccc2c1OC[C@H](N1CCCN(Cc3ccncc3)CC1)C2 20783403 DBYYYKLORXFVQK-LJQANCHMSA-N 353.466 2.602 0 50 FFAA COc1cccc(-n2cc(CNCc3nc(-c4ccco4)no3)cn2)c1 65466045 RGFWHXCHBLWFKM-UHFFFAOYSA-N 351.366 2.814 0 50 FFAA C[C@H](O)C[C@@H]1CCCCN1C[C@@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 252551319 UBWWTEMPVKTDSG-AEEMCCEDSA-N 351.531 2.982 0 50 FFAA CCc1nocc1CN(C)C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 331430899 QHKAQYHVTBXXIM-KBPBESRZSA-N 358.442 2.518 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCNC[C@H]2C)cs1 124864710 YOGKZMSLLLFKHV-HSBSLETESA-N 357.479 2.864 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1 253429756 OOZZEPXVXHPFCI-VVLHAWIVSA-N 367.534 2.726 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC(c2ncc[nH]2)CC1 72478600 GSFDIRRYCJPEKT-UHFFFAOYSA-N 361.829 2.783 0 50 FFAA Cc1cc(F)c(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cc1F 328626654 FHXRPUPUZDNWNX-UHFFFAOYSA-N 352.381 2.905 0 50 FFAA CCCOc1nc(C(=O)N2CCOC[C@]23CCOC3)cc2ccccc12 328698291 HONPVKFBLPHXJB-HXUWFJFHSA-N 356.422 2.655 0 50 FFAA O=C(COCC(F)(F)F)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 331566014 LBAPWUPZYCEKNT-WDEREUQCSA-N 363.336 2.554 0 50 FFAA Cc1nn([C@H](C)c2nn3c(C4CC4)nnc3s2)cc1Br 32092227 ASXIWVVKDFADBC-SSDOTTSWSA-N 353.249 2.940 0 50 FFAA O=C(O)COc1cccc(C(=O)NCc2nnc(-c3ccccc3)s2)c1 432130078 PBWDGLXSXFLZKH-UHFFFAOYSA-N 369.402 2.599 0 50 FFAA COC(=O)c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2OC)nc1C1CC1 441551706 WKYYCLOFRZUAFR-HOTGVXAUSA-N 361.442 2.502 0 50 FFAA C[C@H](CNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)Cn1ccnc1 126527454 LGJBFTIBLSGICX-OAHLLOKOSA-N 362.433 2.946 0 50 FFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 377390574 QDRJQRUOGOORSM-INIZCTEOSA-N 352.438 2.884 0 50 FFAA C[C@@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1C(=O)O 262860377 FIAZJCLNCJQRTL-ZYHUDNBSSA-N 374.418 2.722 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCC(c3ncc[nH]3)CC2)c1C 72447850 NNNSXYUGYYHCLI-LBPRGKRZSA-N 357.458 2.783 0 50 FFAA O=C(CN1CC[C@@H](n2cc3ccccc3n2)C1)N1CCc2sccc2C1 371654098 FJPJOMNBOWZANZ-QGZVFWFLSA-N 366.490 2.930 0 50 FFAA O=C1NCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H]1c1ccccc1 129501071 OYARCXXZRNZVKA-HXUWFJFHSA-N 363.461 2.596 0 50 FFAA C[C@H](C(=O)NCc1cccnc1N1CCc2ccccc2C1)n1cccn1 39508985 DKHZUKFGTQEQDJ-MRXNPFEDSA-N 361.449 2.718 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)[C@H]1C[C@]12CCc1ccccc12 262965051 IHGRFTOGIMQGAG-JUXOCIIHSA-N 363.413 2.768 0 50 FFAA O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCOC[C@@H](CO)C1 77288122 LPMJUDDAFNMELI-MRXNPFEDSA-N 362.429 2.983 0 50 FFAA CC1=C(CCN2CCN[C@@H](C(=O)NCc3cccnc3)C2)C(C)(C)CCC1 72151174 QMKTYLFQZRQSAF-HXUWFJFHSA-N 370.541 2.888 0 50 FFAA CCc1ncc(-c2nccn2[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 77457658 ZZHHYFMDCVPGPH-CYBMUJFWSA-N 356.451 2.915 0 50 FFAA CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H](CCN)C(F)F)c12 449610208 FWCKQKNGGNZFOW-GFCCVEGCSA-N 352.385 2.765 0 50 FFAA CC[C@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1ncccc1C 71315464 RUEVIKXFKYYMBB-KRWDZBQOSA-N 350.422 2.676 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(Cc4nc[nH]c4C)CC[C@H]32)o1 72433306 VOXMYJXNDPUEJT-QFBILLFUSA-N 356.470 2.675 0 50 FFAA CCNc1ncc(C(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)cn1 77297875 SWOZFXVKFVWISO-CYBMUJFWSA-N 356.426 2.555 0 50 FFAA COCCN1C[C@@]2(CCCN(c3ccc(CSC)cn3)C2)CCC1=O 77505294 FFXVPIGYMALHMU-IBGZPJMESA-N 363.527 2.800 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1 130735118 KMPOJNKQZCYKPA-CHWSQXEVSA-N 360.483 2.614 0 50 FFAA Cc1ccc(Cn2c(CN3CCC[C@](O)(CO)C3)nc3ccccc32)cc1 72409410 BQKAJAHXLNWIOY-JOCHJYFZSA-N 365.477 2.712 0 50 FFAA O=C(CCc1nc(-c2ccccn2)no1)Nc1cnn(Cc2ccccc2)c1 131093765 TXJWEAJCBZRZOI-UHFFFAOYSA-N 374.404 2.948 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC(O)(CN2CCCC2)CC1 223163049 ODLFUWHLCZSRAN-UHFFFAOYSA-N 371.525 2.740 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)CCC(=O)c2ccccc2)CC1 223401024 DFZDZZWJVZCZFQ-HXUWFJFHSA-N 371.525 2.668 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)NCc1cccc(Cl)c1 49546100 AXFHZSFWFVYWRT-UHFFFAOYSA-N 359.838 2.942 0 50 FFAA CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 47343716 FDQZKNNENUEUHH-KRWDZBQOSA-N 372.465 2.945 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCC(=O)NC1CCCC1 133550763 JZOWTNGVBLHBDJ-QGZVFWFLSA-N 357.498 2.558 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)c1ccc2c3c([nH]c2c1)CCCC3 82148452 RSMZIJGFTJYONV-UHFFFAOYSA-N 363.465 2.667 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCc3cc(-c4ccccn4)no3)C2)n1 426574807 FRTYPPZYRRXLQY-HNNXBMFYSA-N 366.425 2.707 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 179321522 FUJRKPHFQJPPJN-AQNXPRMDSA-N 369.486 2.968 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1c1ccc(C)o1 91468772 NNCCJBJDAQSFHC-CRAIPNDOSA-N 366.421 2.517 0 50 FFAA COCCCN1CC2(CCN(Cc3ccc4c(c3)C[C@@H](C)O4)CC2)CC1=O 95364449 YKWAJPZDTCTWOG-QGZVFWFLSA-N 372.509 2.861 0 50 FFAA CN(C)c1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3C)ncn1 95353532 HQRAZGZLCZPVTO-KRWDZBQOSA-N 365.481 2.528 0 50 FFAA O=C(c1cc(C2CCCCC2)n[nH]1)N1CCN(CC2CCOCC2)CC1 179501486 HYOKKQGDHAEFJJ-UHFFFAOYSA-N 360.502 2.642 0 50 FFAA COc1cc(S(=O)(=O)Oc2ccccn2)c(OC)cc1Br 230518030 UNJFIVHFNLIDPP-UHFFFAOYSA-N 374.212 2.629 0 50 FFAA COCCN(Cc1nccs1)C(=O)[C@H](C)Sc1nc(C)cc(C)n1 426529191 CGQFZZKNUDNMMH-ZDUSSCGKSA-N 366.512 2.706 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(C)nc23)C1 97522393 VGMKNCXNRGGUHQ-LBPRGKRZSA-N 369.391 2.613 0 50 FFAA O=C(CSc1ccccn1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 95355601 BRSOUXTWQPRFDQ-GOEBONIOSA-N 374.535 2.753 0 50 FFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1 97730283 NZKKZSUBNAHZBB-SFHVURJKSA-N 374.444 2.568 0 50 FFAA CCc1ccc2nc(N3C[C@H](CO)[C@H](CN(C)CCOC)C3)cc(C)c2c1 92061852 KKZQCLARGKMTMM-RTBURBONSA-N 371.525 2.729 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@]4(CCCNC4=O)C3)CCCC2)cc1 91304966 ZPNKNUKSLLQUGG-HXUWFJFHSA-N 356.466 2.636 0 50 FFAA CSCCc1nc(C[C@H](C)NC(C)=O)n(-c2ccccc2Cl)n1 96166629 VVEJGCQIDMZAMF-NSHDSACASA-N 352.891 2.893 0 50 FFAA COc1ccc(-c2cc(CNC3CCN(c4ncccn4)CC3)no2)cc1 95498995 XFRMAGUVKHMAGW-UHFFFAOYSA-N 365.437 2.899 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 91794463 BRNIETGXXKAVMV-ZDUSSCGKSA-N 370.438 2.619 0 50 FFAA Cc1ncnc(N2CCN(Cc3cnn(-c4ccccc4F)c3)CC2)c1C 97575100 PQKZODJDYYKNRP-UHFFFAOYSA-N 366.444 2.740 0 50 FFAA Cc1nccc(N2CCC[C@@]3(CCC(=O)N(CCc4ccccn4)C3)C2)n1 92021641 JIXPOAQEWISCDC-OAQYLSRUSA-N 365.481 2.632 0 50 FFAA CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc[nH]c2C)CN1CC1CCCC1 96163615 GMWJWTPNECQJAJ-HKUYNNGSSA-N 374.529 2.554 0 50 FFAA Cc1cccn2cc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)nc12 97772853 LMEJPNVQQNRMDB-IBGZPJMESA-N 363.465 2.995 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)CCO1 299750625 ODFBXEBXWYBAJY-LBPRGKRZSA-N 351.811 2.994 0 50 FFAA O=C(Nc1cnn2c1NCCC2)c1nn(Cc2ccccc2)c2ncccc12 1940198101 NHWQIWVJDNYICO-UHFFFAOYSA-N 373.420 2.744 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)cc1 299790710 BYWWDROOFLRXGX-WBVHZDCISA-N 367.453 2.574 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)NCc1ccc2c(c1)nc(C)n2C 584888227 WPSJDYCENSQXBV-IBGZPJMESA-N 367.453 2.806 0 50 FFAA O=C(NC1CC(N2CCCCC2)C1)N1CCC[C@@](O)(c2ccccc2)C1 875550336 NHXCCUBZVZSYTN-GRERDSQWSA-N 357.498 2.697 0 50 FFAA O=C(NC[C@@H]1C[C@H]1c1ccco1)NCC1(OCCO)CCC(F)(F)CC1 1875392192 ZXIURSDGROHOAW-UONOGXRCSA-N 372.412 2.639 0 50 FFAA CCCC(=O)NC[C@@H]1CN(C(=O)c2csc(O)n2)Cc2ccccc21 1875337688 ZGHIOVVDDLFUGU-CYBMUJFWSA-N 359.451 2.505 0 50 FFAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 1875270462 CKBODLWBAPWMSK-IXDOHACOSA-N 356.372 2.647 0 50 FFAA C1CCC(n2nnc3c2C[C@H](c2nc(-c4n[nH]c(C5CC5)n4)no2)CC3)C1 952892194 CUZRAIVGRCZTHY-LLVKDONJSA-N 366.429 2.711 0 50 FFAA Cc1cc(=N[C@@H]2CCC[C@@H](NC(=O)[C@H]3CC34CC4)C2)[nH]c(CC2CC2)n1 1875405487 HGMWVXQDQVKSPU-BRWVUGGUSA-N 354.498 2.799 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)N1CCC(C)(C)CC1 952990481 WPFYQVKTTHLDBN-UHFFFAOYSA-N 362.499 2.671 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccc(F)cc1C 952967543 BRGFYXHBHPXAIY-LJQANCHMSA-N 369.440 2.636 0 50 FFAA CNC(=O)c1cccnc1N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506427483 MTRHOPPEYAHVKW-UHFFFAOYSA-N 353.401 2.841 0 50 FFAA C[C@](O)(COC(=O)CCc1ccncn1)c1ccc(Br)cc1 1344861749 ACMUCEBBQUROBZ-INIZCTEOSA-N 365.227 2.623 0 50 FFAA COC[C@@H]1[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)[C@H]2CCO[C@@H]12 1565509005 DNAGBOQKUTVGOK-JOCBIADPSA-N 358.463 2.519 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](CO)[C@@H]1CCCOC1 412707282 IOADZQWBJGBXHV-UKRRQHHQSA-N 364.442 2.775 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278379040 IYIBAHLJOCJJJJ-SNVBAGLBSA-N 354.332 2.852 0 50 FFAA C[C@@H]1CN(CC(=O)NC2CCC3(CC2)OCCO3)CC[C@@H]1c1ccccc1 741808379 RZZYBGRMACHNSF-XLIONFOSSA-N 372.509 2.914 0 50 FFAA O=C(Nc1ccc(NS(=O)(=O)Cc2c(F)cccc2F)cn1)C1CC1 194568645 OLDZJNVTAAAFEL-UHFFFAOYSA-N 367.377 2.650 0 50 FFAA N[C@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)C1 195116436 CMNBEFODYOCESY-ZDUSSCGKSA-N 371.441 2.698 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 1800414507 QXFOYTIINPZRSY-CQSZACIVSA-N 359.344 2.898 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)Cc3cc(O)c4cccc(F)c4n3)C[C@@H]2CC1=O 1704343543 JXBVNQOFVNCMHG-VNHYZAJKSA-N 357.429 2.768 0 50 FFAA CN(C)c1ccc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)cn1 1615740361 WSSUIASHYVPDQX-RXVVDRJESA-N 362.477 2.731 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cnccn3)CC2)nc2cc(F)ccc12 1772809246 QIULSECTKWBRFG-UHFFFAOYSA-N 365.412 2.825 0 50 FFAA O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772709501 KBPDDIUYKYVBCP-MEBBXXQBSA-N 362.323 2.707 0 50 FFAA O=C(c1ccc(OC2CCN(Cc3cc[nH]n3)CC2)cc1)N1CCCC1 11663639 ZHBZJXOARUQLKH-UHFFFAOYSA-N 354.454 2.689 0 50 FFAA O=C(N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)C1CCCCC1 12050309 WLGZEHSGIJOWDA-SFHVURJKSA-N 372.513 2.759 0 50 FFAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)/C=C/c2cnn(C)c2)C1 12207710 KZUULDFSKNLKGH-SBJJXXPASA-N 371.412 2.703 0 50 FFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCCc1cccs1)C2 14749582 QWXCKOLKEAJQLP-OAHLLOKOSA-N 374.554 2.992 0 50 FFAA CC[C@H](O)CNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 14999762 GBAYMTJDJWTVJS-NSHDSACASA-N 360.439 2.706 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c1 19224003 LMAHGRMFELRNDO-CQSZACIVSA-N 374.462 2.770 0 50 FFAA COc1cc(CN2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1O 19549418 WDEPPCSUJGFCAK-UHFFFAOYSA-N 374.412 2.507 0 50 FFAA C/C=C(\C)CN1C[C@H](C(=O)O)C2(CCN(C(=O)CSC(C)C)CC2)C1 1857686728 FJPDFSXBTGPZSZ-HSUWOCHWSA-N 368.543 2.719 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(C(F)F)nn3C)CC2)O1 1857695477 LBVXAYGMRKYFDK-IUODEOHRSA-N 371.428 2.528 0 50 FFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 331910994 LTEUTKRRLATFHN-QZTJIDSGSA-N 355.486 2.751 0 50 FFAA CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@H]3C(=O)O)n2)cc1 236853687 PGSTUQIYIKEMBX-HNNXBMFYSA-N 357.410 2.868 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 237656172 PSWOAYYGGZDWFU-OAHLLOKOSA-N 351.200 2.867 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc(C)c3)C2)nn1 11965237 XHFQACDKXOAVBX-GOSISDBHSA-N 355.486 2.906 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)Nc5ccc(N6C[C@H]7CC[C@H]6C7)cc5)[C@@H]4[C@@H]3[C@@H]12 800554449 SYRGZOPAUDTFFV-RDENWPERSA-N 360.457 2.941 0 50 FFAA CCOCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704342112 HBQPAVXUMNOHMI-NRFANRHFSA-N 351.450 2.987 0 50 FFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1OC 783780 QRFHVTBWXVQQSH-SFHVURJKSA-N 361.781 2.770 0 50 FFAA CN(C)[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3O[C@@]3(CCOC3)C2)C1 2325797440 XGTVZRPCNTYOLE-CDXJDZJCSA-N 358.482 2.687 0 50 FFAA CN(Cc1cccc2cccnc12)C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2 2325858841 CMFKKNOFEYHERZ-SFHVURJKSA-N 374.444 2.719 0 50 FFAA CC(C)(CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1ccccc1 874890034 SXZACSFCDUTMHC-UHFFFAOYSA-N 372.446 2.719 0 50 FFAA O=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 816923 NRZLNHKNFJGXHG-UHFFFAOYSA-N 359.325 2.985 0 50 FFAA C[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccccc1 1130489 HACRXEAQSNFPKD-ZDUSSCGKSA-N 366.446 2.934 0 50 FFAA O=C(Nc1ccc(I)cc1)[C@H]1CC=CC[C@H]1C(=O)O 4610425 CNBCFMDYNFYBIT-NWDGAFQWSA-N 371.174 2.897 0 50 FFAA CCOc1cc(C(=O)N2CCCN(C)CC2)cc(OCC)c1OCC 6727123 ZWFOSEGRYBWWKC-UHFFFAOYSA-N 350.459 2.660 0 50 FFAA C[C@@H]1C[C@H](O)CCN1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 225618133 TYTXIXRLIIGMPI-RHSMWYFYSA-N 354.454 2.533 0 50 FFAA C[C@H](CCCC(C)(C)O)CCN1CCC(Cc2nnc(CO)n2C)CC1 55325095 WSIVHUXDUOGBPX-MRXNPFEDSA-N 366.550 2.529 0 50 FFAA CCc1ccccc1OCCN(C)C(=O)c1cccc(-n2cnnc2)c1 55308991 ZHAPZZORUWCKEX-UHFFFAOYSA-N 350.422 2.981 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2c(c1)NC(=O)CS2 247812087 DDSOHKCJCCGCFJ-GLQYFDAESA-N 374.462 2.677 0 50 FFAA CCc1cccc(NC(=O)CCC(=O)NCCn2nnc3ccccc32)c1 55271641 LBVQKVFWYKPRGH-UHFFFAOYSA-N 365.437 2.529 0 50 FFAA O=C(c1cncc(-c2ccccc2CN2CCOCC2)n1)N1CCCCC1 65396113 BZNUZROTWRABJW-UHFFFAOYSA-N 366.465 2.602 0 50 FFAA CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1OC(F)F 425630980 ATNBKUNWRPZSLL-MRXNPFEDSA-N 374.387 2.991 0 50 FFAA O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccn(-c2ccccc2)n1 121902608 ALPRIJCVBVIVKR-UHFFFAOYSA-N 374.444 2.925 0 50 FFAA CN1CCC(n2nccc2NC(=O)Cc2cn(C)c3ccccc23)CC1 1506412917 FYGVFHZCTGHEBD-UHFFFAOYSA-N 351.454 2.823 0 50 FFAA CC[C@@H](CNC(=O)c1cc(COc2cccc3cnccc23)on1)OC 67956516 SSJMZZBDJIXINI-AWEZNQCLSA-N 355.394 2.957 0 50 FFAA CN(Cc1cnc2cnccn12)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328633762 MHAOESLTQPFWMB-GJZGRUSLSA-N 359.474 2.835 0 50 FFAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2F)C1 331253862 SBWUVECKIJTCDT-NEPJUHHUSA-N 354.397 2.827 0 50 FFAA Cc1cccc(CN2CCN(C(=O)CCC(=O)c3ccccc3)CC2=O)c1 77375293 ZXKGZENWJPSMAC-UHFFFAOYSA-N 364.445 2.829 0 50 FFAA CC(C)N1CC[C@@H](CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)C1 71759944 YFJJHZYCIGLBHW-INIZCTEOSA-N 356.470 2.791 0 50 FFAA C[C@@H](CN1CC2(CCN(CCC(=O)N(C)C)CC2)OC1=O)c1ccccc1 77287291 DNDSAGOSPBMEDI-KRWDZBQOSA-N 373.497 2.555 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N3CCC[C@@H]3Cc3ccccc3)cc12 129829896 CIWJHRTWJIGQRN-OAHLLOKOSA-N 357.435 2.927 0 50 FFAA O=S(=O)(Cc1cccc2cccnc12)N1CCC([C@H]2CCOC2)CC1 369920484 PGOAGMFZQPECMC-KRWDZBQOSA-N 360.479 2.813 0 50 FFAA CC[C@@H](Nc1nc(-c2ccco2)nc2c1CCNCC2)c1cnn(C)c1 72425344 FNSTYGCBZMHWBV-OAHLLOKOSA-N 352.442 2.722 0 50 FFAA CNC(=O)C[C@@H](C)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C 456468166 ARJMLDJGBHFWFD-OAHLLOKOSA-N 364.449 2.897 0 50 FFAA CCn1c(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)nc2ccccc21 215128085 OGHIQRYCBIFIRL-LJQANCHMSA-N 352.413 2.868 0 50 FFAA CC(C)(CNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)c1cccs1 334033417 MJJJGJMMZMJPMC-UHFFFAOYSA-N 370.540 2.779 0 50 FFAA Cc1c(CNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cnn1C 378557875 KGTXWJDNTPWULJ-MRXNPFEDSA-N 365.441 2.560 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 72144538 IJLJEEKPCTWUSE-GOSISDBHSA-N 373.497 2.737 0 50 FFAA COc1ccc(N[C@@H]2CCCN(C(=O)CCn3c(C)cccc3=O)C2)cc1 72142073 IFIVVCISTLGKCK-GOSISDBHSA-N 369.465 2.659 0 50 FFAA COc1ccc(OCc2nn3c(CN4CCCCC4)nnc3s2)cc1 40285674 USOPUMIDZNBIGC-UHFFFAOYSA-N 359.455 2.759 0 50 FFAA Cc1ncc2c(c1CNC(=O)COc1ccc3ccccc3c1)CCNC2 72429094 LLQPZVDJWLJJQK-UHFFFAOYSA-N 361.445 2.884 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Cn2cccc(C(F)(F)F)c2=O)no1 44698207 XVGFCGPOSMZDIE-CYBMUJFWSA-N 355.316 2.527 0 50 FFAA Cc1ncccc1Oc1ncnc(N2CCC[C@@H](N3CCCC3=O)C2)c1C 71712131 WLAABHDDSRLXJL-MRXNPFEDSA-N 367.453 2.872 0 50 FFAA C[C@H]1c2cccn2CCN1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 176685223 YYOPDJSJGMAQSC-SWLSCSKDSA-N 374.391 2.658 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)N[C@@H]3CCN(C)C3=O)cc2)c1 426674217 MOQLCWFXFCALIJ-GOSISDBHSA-N 350.418 2.907 0 50 FFAA CCCN1CCC[C@H](CNC(=O)N2CCCN(c3ccnc(C)c3)CC2)C1 426536556 TUGNNNDEHCCFAW-LJQANCHMSA-N 373.545 2.734 0 50 FFAA O=C(NCCCOc1ccccc1)N1CCC(N2CCSCC2)CC1 426433991 GNRHDADHOGIAMI-UHFFFAOYSA-N 363.527 2.678 0 50 FFAA c1ccc(N2CCC(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)CC2)cc1 223038763 USNNOSBVKMWCAV-CIAFKFPVSA-N 355.526 2.887 0 50 FFAA CCNC(=O)N1CCC(NC(=O)Cc2ccccc2C(F)(F)F)CC1 223908878 OKNUIQUEIBQYHO-UHFFFAOYSA-N 357.376 2.558 0 50 FFAA CCN(C(=O)NCCc1ccc(OC)cc1OC)[C@@H]1CCCC[C@H]1O 426428912 RWAZRSRCALXFNC-IAGOWNOFSA-N 350.459 2.581 0 50 FFAA O=C1C[C@H](C(=O)NC2CCN(C3CCSCC3)CC2)c2ccccc2N1 97636442 AHBNJADBUGMREK-KRWDZBQOSA-N 373.522 2.589 0 50 FFAA CN(CCCCN1CCOCC1)C(=O)c1ccc(-c2ccncc2)cc1 426409512 SUZLYNARTVLEIF-UHFFFAOYSA-N 353.466 2.933 0 50 FFAA COC(=O)C[C@H]1CCN(C(=O)Nc2ccc(C(=O)OC)cc2Cl)C1 95507878 GRNOINLTZVMQOV-SNVBAGLBSA-N 354.790 2.544 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@@H]2COc3c(cccc3OC)C2)c1C 95352683 PRYYEHXMDZJZRK-INIZCTEOSA-N 357.454 2.786 0 50 FFAA O=C1CC2(CCN(Cc3ncc[nH]3)CC2)CN1Cc1cc(F)cc(F)c1 92081845 YQWXJBPJRYUKBR-UHFFFAOYSA-N 360.408 2.703 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@H](n4nc(C)cc4C)C3)c2c1 91459584 FMOVGNKTZAGVLT-INIZCTEOSA-N 368.437 2.580 0 50 FFAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(-c3csc(C)n3)nc2O)c1 96132188 TUEBZNRKGRYXOL-UHFFFAOYSA-N 369.450 2.898 0 50 FFAA O=C(NCCN1CCc2ccccc21)c1ccc(-c2ccccc2)[nH]c1=O 96166353 UUSXCAWFMLENPB-UHFFFAOYSA-N 359.429 2.834 0 50 FFAA CCOCc1nc(-c2ccc(S(N)(=O)=O)cc2)n(C2CCCCC2)n1 95381487 ULIXTQHBYNIGBB-UHFFFAOYSA-N 364.471 2.634 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H](c1cccnc1)N1CCCC1 95391966 CYFAFPKKIBKUKY-SFHVURJKSA-N 369.469 2.918 0 50 FFAA O[C@@H]1CCCOC12CCN(Cc1cnc(NCc3ccccc3)nc1)CC2 95386284 IDDUJHFQXJYCIR-LJQANCHMSA-N 368.481 2.595 0 50 FFAA Cc1nc(C(=O)N2CCc3nnc(CCc4ccccc4)n3CC2)cs1 96166990 FAIGNXRTMZFUHE-UHFFFAOYSA-N 367.478 2.527 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN2CCCC[C@H]12 244708223 KPTKIZYNUYVBIY-NZSAHSFTSA-N 369.465 2.544 0 50 FFAA Cc1nc(CCN(C)C(=O)CC2CCN(Cc3ccccc3)CC2)no1 244633546 GETVCKZQYJQBFB-UHFFFAOYSA-N 356.470 2.681 0 50 FFAA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 252488163 IMEOWZXXYLSULK-SNVBAGLBSA-N 358.261 2.647 0 50 FFAA COc1ccc([C@H](NC(=O)CCc2ccc(C)cc2)[C@H]2C[C@@H](O)C2)cn1 252571537 YCRWRGNPGPDQHL-UEXGIBASSA-N 354.450 2.960 0 50 FFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)NCCN1CCC(C)CC1 534675327 QDPQVBGWJVDXLR-UHFFFAOYSA-N 357.502 2.869 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3cc(CO)ccn3)cc2)n[nH]1 534656634 JPCFVFRYQGZEOO-CYBMUJFWSA-N 350.422 2.633 0 50 FFAA COc1ccc([C@H](O)C(=O)NC2CCN(c3cccc(C)c3)CC2)cc1 299771308 YADBJUAFOLHOHL-FQEVSTJZSA-N 354.450 2.822 0 50 FFAA COc1ccc(-c2ccccc2NC(=O)NCC2(O)CCN(C)CC2)cc1 299791215 DIPMRHASUQQWNS-UHFFFAOYSA-N 369.465 2.940 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1cc(-c2ccccn2)nn1C 299797828 CPKIKJUDPWCUON-UHFFFAOYSA-N 353.430 2.656 0 50 FFAA COc1cccc(N2CCN(C(=O)CN3CCCCCC3)CC2(C)C)c1 824782191 PAQNNWJFRBSCMW-UHFFFAOYSA-N 359.514 2.998 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(-n2cnnc2)cc1 828161253 UIYOYXGBHAERJN-MRXNPFEDSA-N 367.478 2.723 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cncc(OC)c2)CC[C@@H]1C 1875406841 NIOUJPNFSGTXOZ-BQCJVYABSA-N 359.470 2.636 0 50 FFAA O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(Nc2ncccn2)cc1 1875263098 IFKQJNYVQCUZLG-QGZVFWFLSA-N 352.369 2.823 0 50 FFAA CNC(=O)C[C@H](NC(=O)c1ccc(-c2nc(C)no2)cc1)c1ccccc1 1875262877 ZDIFSPFYGUPFPF-KRWDZBQOSA-N 364.405 2.652 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCC(c3c[nH]nc3C)CC1)C2 952845554 VUCPLMLQOQUZSA-INIZCTEOSA-N 355.438 2.684 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(c2ccc(F)cn2)CC1 1875313982 AWKYNDVQPUWTDH-OLZOCXBDSA-N 372.444 2.996 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1cc(OCc2ccccc2)ncn1 1875398148 DFJPDOPHZNPWKE-RCCFBDPRSA-N 365.437 2.504 0 50 FFAA CC[C@@H]1CN[C@H](C(=O)NC[C@@H](CCO)c2ccc(C(F)(F)F)cc2)C1 1875301325 FJWGXNGVIPPNJQ-BJJXKVORSA-N 358.404 2.676 0 50 FFAA CO[C@](C)(CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C1CCCCC1 1875349818 OCLXIZMGATYZEP-LJQANCHMSA-N 357.458 2.686 0 50 FFAA CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)cc1Cl 952970481 KVSRHDCIQUNRKR-AWEZNQCLSA-N 372.856 2.788 0 50 FFAA CCNC(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nn2)ccc1Cl 952971163 RGPAHWDPJJQPSC-UHFFFAOYSA-N 369.812 2.923 0 50 FFAA C/C(=C\C(=O)N1CCC[C@@](O)(Cc2nc(C)no2)C1)c1cccc(F)c1 886096432 HBCAFUFCEYSNDC-XWGMLZDCSA-N 359.401 2.517 0 50 FFAA C[C@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1ccc(C(C)(C)C)s1 186644868 YQZRKSFWNOJWOE-JTQLQIEISA-N 365.480 2.977 0 50 FFAA CC(=O)SCCCCCCNC(=O)c1cccc(S(C)(=O)=O)c1 170600568 YRXQMWYXDLLOBU-UHFFFAOYSA-N 357.497 2.660 0 50 FFAA Cc1cc(C(F)(F)F)ccc1CN[C@H]1CCN(c2cnn(C)c2)C1=O 190993768 YMCYNGTXKKABJD-HNNXBMFYSA-N 352.360 2.642 0 50 FFAA COc1ccccc1-c1cc(C(=O)NC2CCN(CC3CC3)CC2)[nH]n1 194246005 GRZWYIGPQXBIEM-UHFFFAOYSA-N 354.454 2.690 0 50 FFAA CCc1cc(N2CCC(NC(=O)[C@H]3CCCc4cccnc43)CC2)ncn1 194576249 SFAVCPIXDPIXAG-SFHVURJKSA-N 365.481 2.639 0 50 FFAA COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2F)C2CC2)cn1 195469876 HERKHFICOQMKOI-UHFFFAOYSA-N 354.378 2.722 0 50 FFAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2cnc(O)cc2C)cc1 762341777 CCPBWROMVMOQBY-FXAWDEMLSA-N 356.422 2.617 0 50 FFAA CO[C@@H](C)c1nnc(NC(=O)CCCc2nc(-c3cccnc3)no2)s1 1506398748 XATFYPNJDNVBRN-JTQLQIEISA-N 374.426 2.652 0 50 FFAA COC1CCC(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CC(C)C)C2)CC1 215495909 CSDJBOMPJGFUNY-FPQWYMTMSA-N 350.503 2.687 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCC2(CC1)OCCc1cc(OC)ccc12 1704343610 KDBQPNCRYMPPNX-UHFFFAOYSA-N 369.465 2.924 0 50 FFAA CN(C)Cc1nnc(NC[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)o1 1772703900 GIXXANNTJQTVMR-INIZCTEOSA-N 373.457 2.592 0 50 FFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3ncccn3)C2)c1 12225157 OLOCTVRSHMEEOC-INIZCTEOSA-N 354.454 2.798 0 50 FFAA Cn1nccc1C(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 14970443 QXJUPNFTDVSBSR-NRFANRHFSA-N 372.513 2.845 0 50 FFAA NC(=O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C(N)=O)c1 15927383 TUJUEMRVGUBPJK-UHFFFAOYSA-N 373.412 2.655 0 50 FFAA Cc1noc(-c2cn(C3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)n1 169777308 BGUPVICKXHKRLO-UHFFFAOYSA-N 372.816 2.767 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)[C@]2(CC)C[C@@H]3CC[C@H]2N3)CC1 1857683646 LCKIEOYSGHZIBW-LDQXTDLNSA-N 357.498 2.655 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857713678 CLAPQACQVCBONP-UHFFFAOYSA-N 374.448 2.689 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@@H](N)C[C@H]1C 237121884 KBYORIZBMXVTTK-BXUZGUMPSA-N 355.276 2.729 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1C[C@H](C)N[C@H](C)C1 154261853 FZHWTWRPDKVBTB-TXEJJXNPSA-N 355.276 2.599 0 50 FFAA Cc1[nH]nc2ncc(C(=O)N3CCNC[C@H]3c3cccc(Cl)c3)cc12 262103211 VDDQHPJNBOVMHR-INIZCTEOSA-N 355.829 2.706 0 50 FFAA O=C(c1cnc(OCC2CC2)cn1)n1cccc/c1=N\C1CCCCC1 2325709523 CPQFDUNSAYCMFS-PTGBLXJZSA-N 352.438 2.989 0 50 FFAA CCOC(=O)C(=CN=c1cc(-c2ccc(Cl)cc2)[nH][nH]1)C(=O)OCC 2325809575 KVCNHNNUDZHTKO-UHFFFAOYSA-N 363.801 2.574 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2F)S(C)(=O)=O)cc1 1058351 MCCRNFXFYBTBBB-ZDUSSCGKSA-N 350.415 2.927 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1187161 SDMMJEHVPANIFS-OAHLLOKOSA-N 356.397 2.546 0 50 FFAA O=S(=O)(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1ccccc1 3121987 ZEXBWMKIYYYMFP-UHFFFAOYSA-N 360.840 2.523 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356164532 WOZLMQQNBOJYGR-QGZVFWFLSA-N 368.403 2.923 0 50 FFAA CN(C)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)n2C 4385316 RMZVLECFMXWMHR-UHFFFAOYSA-N 358.829 2.849 0 50 FFAA COC(=O)c1cc(NCc2ccc(OC)cc2)ccc1N1CCOCC1 4386315 HGXLUOKWFBURQJ-UHFFFAOYSA-N 356.422 2.931 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc(C)c2)c1 6701747 HUIHDIKAUPXEAN-UHFFFAOYSA-N 367.449 2.786 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H]2CCO[C@@H]2C(C)C)cc1 225453396 COZNGQSOBKJVOR-NVXWUHKLSA-N 374.510 2.720 0 50 FFAA CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1ccc(Br)cc1 225603428 DJJSWRXPOBMRJY-IJLUTSLNSA-N 371.275 2.953 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 8477116 DGDUZWQFUWWCBW-UHFFFAOYSA-N 364.389 2.706 0 50 FFAA COC[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCCO1 225714519 MDQLCVZPGMZQTN-QWHCGFSZSA-N 353.362 2.586 0 50 FFAA Cn1cc([C@@H]2CCN(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)C2)cn1 116521038 HMFFMWYVOYLIKU-AEFFLSMTSA-N 371.485 2.739 0 50 FFAA Cc1ccc2nc(CNC(=O)N[C@H]3CCC[C@@H](C(=O)NC(C)C)C3)[nH]c2c1 466023125 QJIRHEBQCPLHLC-CABCVRRESA-N 371.485 2.754 0 50 FFAA Cc1ccc2nc(CNC[C@H](c3ccccn3)N3CCOCC3)[nH]c2c1C 67982292 CORVPWVBJQIMER-LJQANCHMSA-N 365.481 2.738 0 50 FFAA CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2nnc3ccccn23)c1 117956442 AXVXTKNYGAPBRY-QGZVFWFLSA-N 364.453 2.842 0 50 FFAA C/C=C/CC(=O)N1CCC(n2cc(-c3cccc(C(=O)O)c3)nn2)CC1 20911388 CPXKPDUTJCZWFB-NSCUHMNNSA-N 354.410 2.773 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccccn2)[nH]n1 409415015 QZTWLOGIGSSVKD-DNVCBOLYSA-N 353.470 2.808 0 50 FFAA O=C(NCc1nc(-c2ccccn2)no1)c1ccc([C@H]2CCCN2)s1 20212255 AEFHRDKYTKAMOT-LLVKDONJSA-N 355.423 2.548 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 20916031 ZRAXCDJUIKMRST-SFHVURJKSA-N 374.506 2.604 0 50 FFAA CCC(CC)NC(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 67878144 FQXVKJOFUITKNV-UHFFFAOYSA-N 355.398 2.753 0 50 FFAA CC(C)Cn1cncc1CNc1nc(-c2cccnc2)nc2c1CCNC2 67603846 GLEJUBZQEJBIEW-UHFFFAOYSA-N 363.469 2.649 0 50 FFAA CCn1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c(C)n1 39485191 SUNFDWOLEZAEIP-OAQYLSRUSA-N 356.514 2.589 0 50 FFAA Cc1cc(Cl)ccc1CN(Cc1nccc(N)n1)[C@@H]1CCCNCC1 328625198 CYGXNGXLNMCFOK-QGZVFWFLSA-N 359.905 3.165 0 50 FFAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)n1 219898250 XXZWJBKCXDJKEY-AWEZNQCLSA-N 354.414 2.603 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)CCC1=O 77440648 PSIYNLTYOLTRRE-SFHVURJKSA-N 366.893 2.568 0 50 FFAA O=C1N[C@@H](C2CCOCC2)C(=O)N1CCCOc1ccc2ccccc2c1 432025164 NSLXUBQLSSLHHH-IBGZPJMESA-N 368.433 2.956 0 50 FFAA Cn1nc(-c2nccn2C[C@H]2CCS(=O)(=O)C2)c2c(Cl)cccc21 71764627 ZGKYUEZHEMFGAY-LLVKDONJSA-N 364.858 2.525 0 50 FFAA Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCc3nnnn3CC2)cc1 333809087 ZUDZMBOZNCNLOT-IRXDYDNUSA-N 354.458 2.623 0 50 FFAA C[C@H](O)CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 71753175 IODDXPCVXWDHCF-AWEZNQCLSA-N 364.515 2.615 0 50 FFAA N[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1 237848968 PBRCVLILQDAKRP-ZDUSSCGKSA-N 362.227 2.810 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)CCC(C)C)C2)cc(N2CCOCC2)n1 72473527 UXANVPMMADZXMG-QGZVFWFLSA-N 360.502 2.764 0 50 FFAA NCCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12 237976527 JRYNDWXWHQOCLY-UHFFFAOYSA-N 371.238 2.748 0 50 FFAA Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)cc(Cl)c1Br 283309862 ALZFTSUMQDOYHK-MRVPVSSYSA-N 368.680 2.574 0 50 FFAA O=C(NCc1ccccc1-c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H](O)CN1 238012485 VGSGLPDTZVNQPO-DYVFJYSZSA-N 365.260 2.999 0 50 FFAA Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]n2C)nn1C(C)C 451832817 HGBANPRMONZQFN-UHFFFAOYSA-N 358.833 2.896 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 159350363 OGVLXNKXDPAALA-QRWLVFNGSA-N 370.522 2.930 0 50 FFAA O=C(NCC[C@H]1CCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1 262578349 MGWUJIIAKMAVCD-CQSZACIVSA-N 367.478 2.725 0 50 FFAA CO[C@@](C)(C(=O)N1CCN(Cc2nc3ccccc3s2)CC1)C1CC1 240540900 GQBPOZWGNJHMEY-LJQANCHMSA-N 359.495 2.756 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)NCCc1ccccc1F 72163199 NTNMXGDEGDRIDO-KRWDZBQOSA-N 361.461 2.945 0 50 FFAA CCC(C)(C)NC(=O)c1ccc(NCc2nnn(CC(F)(F)F)n2)cc1 241515529 OGAMBJMFRILLCK-UHFFFAOYSA-N 370.379 2.766 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cccc(C)n3)C[C@@H]2NC(=O)C2CC2)cc1 219282716 DSDCIVMORGJXOU-QUCCMNQESA-N 363.461 2.833 0 50 FFAA CCN(C)Cc1cc2n(n1)CCCN(Cc1nc(C)n3ccccc13)C2 72127115 AGLQKQYEKMDIEB-UHFFFAOYSA-N 352.486 2.697 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 77408308 HYTKADSVWZAERR-INIZCTEOSA-N 351.454 2.858 0 50 FFAA Cc1cc(N2CCC[C@@H](NC(=O)c3csc4ccccc34)C2=O)n(C)n1 175014886 XHEHORDUCUVTFE-OAHLLOKOSA-N 368.462 2.869 0 50 FFAA Cc1noc(C)c1C(=O)N1CCc2[nH]nc(COc3ccccc3)c2C1 48090878 PSUSNHJWYVDZRZ-UHFFFAOYSA-N 352.394 2.792 0 50 FFAA O=C(NC1CC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 17076637 ZAQVOIXDPXEAFA-VXGBXAGGSA-N 374.462 2.735 0 50 FFAA O=C(O[C@H](CN1CCC2(CC1)OCCO2)C(F)(F)F)c1cccs1 20405419 UCPAJZRDEDCRMI-GFCCVEGCSA-N 365.373 2.675 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)N[C@@H]2COC3(CCCCC3)C2)n1 426551327 PUANCOYNMJLDOH-AWEZNQCLSA-N 350.463 2.901 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccc(Cl)cc1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 426689315 TWQCECAFQCAEPC-WNKDZCFJSA-N 371.872 2.622 0 50 FFAA c1ccc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)nc1 91690409 XEZRPCKUMAYCNL-UHFFFAOYSA-N 363.469 2.632 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1NC(=O)N(C)C 92078766 PPVJMOVAEYLXEO-DLBZAZTESA-N 356.470 2.546 0 50 FFAA CCN1CC2(CCC1=O)CCN(CC(=O)N[C@@H](C)c1ccc(C)cc1)CC2 91664885 GQSIXWRQWNWKFD-SFHVURJKSA-N 371.525 2.897 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 91434707 QZRGSGUTFINFPO-UHFFFAOYSA-N 351.784 2.971 0 50 FFAA COc1c[nH]c(C(=O)N(C/C=C/c2ccccc2)C[C@@H]2CCCO2)cc1=O 97636458 KLRVKBQMTOOGLI-MPNRVQBSSA-N 368.433 2.718 0 50 FFAA Cc1cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc(O)n1 179935525 KQUFPHNTRZDIRJ-UHFFFAOYSA-N 374.510 2.808 0 50 FFAA CC1=C(C(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)SC2=NCCN21 95367305 ISUCGDGAPOPFQP-OAHLLOKOSA-N 371.462 2.741 0 50 FFAA COc1ccc(Cc2nc([C@H]3COc4ccccc4O3)n(C)n2)cc1OC 95522145 WCUQRDPVPJLZQL-GOSISDBHSA-N 367.405 2.936 0 50 FFAA CCC(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)C1 95355662 VDUYEKKSLRKHQZ-SJORKVTESA-N 374.868 2.879 0 50 FFAA O=C(NCCCN1CCCC[C@@H]1CO)C1(c2ccc(Cl)cc2)CC1 244764148 PCFKFYRFAQRSNM-QGZVFWFLSA-N 350.890 2.725 0 50 FFAA CN(C)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cc1 244633270 GADTWVZZAPDJKI-JBACZVJFSA-N 352.478 2.794 0 50 FFAA CCn1c(CN2CCC(Oc3cccc(C)c3)CC2)nnc1[C@H]1C[C@@H](N)C1 244852554 UUKUWXAAJVKILX-CALCHBBNSA-N 369.513 2.855 0 50 FFAA C[C@@H](O)[C@@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 184756745 FUIRSEORAMWLNQ-GDBMZVCRSA-N 365.905 2.717 0 50 FFAA CCn1cc(-c2ccc(C(=O)N[C@H](COC)c3ccnn3C)cc2)c(C)n1 534585431 BLKQWDGTYXRXGH-GOSISDBHSA-N 367.453 2.729 0 50 FFAA COc1ccc(NC(=O)[C@@H](CCSC)n2cccc2)cc1-c1nnn[nH]1 263587624 JECGERZINWUZPS-CQSZACIVSA-N 372.454 2.610 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CC(Oc3c(C)cccc3C)C2)c1C 65419210 IJNYBOGTWFYPPC-UHFFFAOYSA-N 356.470 2.838 0 50 FFAA COc1ccc(NC(=O)N(C)Cc2n[nH]c3c2CCCCC3)c(OC)n1 299777774 OVUHUNDDKMMAER-UHFFFAOYSA-N 359.430 2.755 0 50 FFAA O=C(CSCc1ccccc1Cl)N[C@H]1COC[C@@H]1N1CCCC1 299778492 PCHRJDXITXSFMP-HOTGVXAUSA-N 354.903 2.553 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(OC(F)F)cc1 825698964 OBFDBFQBCZOTGI-GFCCVEGCSA-N 352.381 2.809 0 50 FFAA COCC[C@@H]1CCN(C(=O)Cn2cc([C@H]3CCOC3)cn2)c2ccccc21 1875404516 LHHIAIYENWZCGA-IRXDYDNUSA-N 369.465 2.944 0 50 FFAA O=C1CC[C@](C(=O)N2CC[C@H](c3cccc(O)c3)C2)(c2ccccc2)CN1 1875267922 ABROZDKAVDUEIF-HTAPYJJXSA-N 364.445 2.556 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@@H](c1ccccc1)N(C)C(=O)OC(C)(C)C 1875379276 PDHWRVAJAGQVPL-RTGRKSDTSA-N 361.486 2.829 0 50 FFAA CCNCC1CCN(C(=O)c2ccc(Nc3nccc(OC)n3)cc2)CC1 1875310583 VFADLAJKRSUMSY-UHFFFAOYSA-N 369.469 2.691 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)N1CCC(F)(F)C1 1875397992 WIMQBFVLCKDDAP-STQMWFEESA-N 369.416 2.799 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)N3CC(N4CCCCC4)C3)CC2=O)cc1 952964401 NWEJONHVUMEYAZ-GOSISDBHSA-N 369.509 2.860 0 50 FFAA Cc1cc(N2CCC3(CC2)CN(Cc2cnn(C)c2C)CCO3)cc(C)n1 952973763 YMJXKJUGDLHKRJ-UHFFFAOYSA-N 369.513 2.612 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)[C@H](C(C)C)N2CCCCC2)sc1C 408477434 AQBLJKPPLAEBTG-HNNXBMFYSA-N 358.529 2.680 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)C2)c1 109680567 XJBYZYLQKQZMSQ-LJQANCHMSA-N 366.465 2.725 0 50 FFAA Nc1ncncc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 192356892 JFWWOEPJXWZYOW-UHFFFAOYSA-N 350.344 2.929 0 50 FFAA C[C@@H](C(=O)Nc1cnn2c1NCCC2)N1C(=O)c2cccc3cccc1c23 1506405695 DJLZMSAVDPNNBC-LBPRGKRZSA-N 361.405 2.839 0 50 FFAA CC1(C)CC(CC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC(C)(C)N1 1529118240 HJAKKHUMDJSSLS-UYAOXDASSA-N 374.525 2.894 0 50 FFAA CC(C)c1ocnc1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210162577 OHCBBMVWUBIVQB-KGLIPLIRSA-N 358.394 2.517 0 50 FFAA CC(=O)c1cnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)nc1C 1772702630 XBPJTJNPOIFPQA-SFHVURJKSA-N 354.454 2.691 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3C[C@@H]4COCC[C@]4(C(=O)O)C3)o2)c1 1772707064 YZXHASUJSLPRMP-VLIAUNLRSA-N 371.389 2.519 0 50 FFAA COc1ncccc1C(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 11820014 HEESRIMLOKYAAY-UHFFFAOYSA-N 352.369 2.818 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@@H](CCc2ccccc2)C1 12463608 RWTBNRYPFMBPMQ-HNNXBMFYSA-N 359.447 2.993 0 50 FFAA CCCN1C[C@@H](n2ccnc2-c2cc3cc(OC)ccc3[nH]c2=O)CC1=O 1857671043 MSFOYHDHLJIFFO-AWEZNQCLSA-N 366.421 2.584 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(F)cn2)[C@H](C)C1 1857683119 VTSKKYXDRATSAM-GFCCVEGCSA-N 351.857 2.881 0 50 FFAA C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C[C@H]1CCCS(=O)(=O)C1 329002020 HCAWJRKALZMTTO-MGPQQGTHSA-N 353.459 2.875 0 50 FFAA O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1[C@H]2CC[C@H]1COC2 333646125 TZELVJVQPQKXEH-RYUDHWBXSA-N 350.831 2.676 0 50 FFAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl 666041 WFXICEVOMNRSBI-UHFFFAOYSA-N 368.784 2.961 0 50 FFAA CCOC(=O)c1cccc(NC(=O)CSc2nc3cccnc3[nH]2)c1 4385771 FOTIJRTUUASVOX-UHFFFAOYSA-N 356.407 2.865 0 50 FFAA CCN1CCC(N(CCc2ccccn2)Cc2ccn3ncnc3c2)CC1 2100547370 HTBNLNQSNKLAKD-UHFFFAOYSA-N 364.497 2.653 0 50 FFAA CCc1cn2c(n1)CC[C@H](C(=O)Nc1ccc(C)cc1-c1nc[nH]n1)C2 2325780880 WDEFMFQPEMPZSF-ZDUSSCGKSA-N 350.426 2.740 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)NC[C@@H]1CC[C@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325867759 FMAQYZJCOLFKTF-XOUADPBQSA-N 359.470 2.542 0 50 FFAA Cc1nc(C2CCN(C(=O)c3cccc(-n4ccnc4O)c3)CC2)[nH]c1C 899512734 AZMIERVVAXUNKC-UHFFFAOYSA-N 365.437 2.938 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 804777 CEGZDFAUDMSJAG-SCLBCKFNSA-N 354.406 2.993 0 50 FFAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 1174336 JEVKFXJIISILAD-LBPRGKRZSA-N 366.414 2.628 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 225436589 XFUCACKIMWFIBN-ONGXEEELSA-N 369.336 2.923 0 50 FFAA Cc1c(CNCc2ccccc2-n2ccnc2)c2ccccc2n1CC(N)=O 55359053 RNCUECNUXFTKNH-UHFFFAOYSA-N 373.460 2.911 0 50 FFAA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2O)cc1C 9295418 KXZBJZJDZSABJV-UHFFFAOYSA-N 355.423 2.716 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCC(Cc4nncn4C)CC3)c(C)c2c1 55132069 COIDNCHBRVRQGG-UHFFFAOYSA-N 367.453 2.708 0 50 FFAA O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1 59102467 XUKGFHHTSUKORV-UHFFFAOYSA-N 362.315 2.970 0 50 FFAA in-vitro O[C@H]1CN(Cc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)C1 108270386 LPZSJYXNZOCMFN-SFHVURJKSA-N 362.420 2.967 0 50 FFAA NC1(C(=O)N2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)CC1 67894696 PBJFUZVVXRMQOI-UHFFFAOYSA-N 372.472 2.966 0 50 FFAA O=c1/c(=C/C=C/c2ccccc2)sc2n1CN(c1ccc(F)cc1)CN=2 20138374 QVJZGUQUZRVHNK-DFBITEFZSA-N 365.433 2.598 0 50 FFAA Cn1c(S)nnc1CCNC(=O)c1ccccc1OC1CCCCC1 118986890 HWAZOBLANKSUSH-UHFFFAOYSA-N 360.483 2.788 0 50 FFAA C[C@H]1CN([C@H](C)C(N)=O)c2cc(F)ccc2CN1C(=O)OC(C)(C)C 252477926 XVXUAZGAOQMPNC-NWDGAFQWSA-N 351.422 2.645 0 50 FFAA Fc1cc(F)cc(-c2cn(C[C@H]3CCCN(c4ncccn4)C3)nn2)c1 63872004 JGVQPWNOLMNKCC-ZDUSSCGKSA-N 356.380 2.930 0 50 FFAA Cc1cccc2cc(CN3CCC4(CCNC(=O)CC4)CC3)c(=O)[nH]c12 67921085 MEPMFHNKVLBZFW-UHFFFAOYSA-N 353.466 2.719 0 50 FFAA CCN(C(=O)c1sc(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 65406582 AHRVWIQVUFNIDG-AWEZNQCLSA-N 364.492 2.768 0 50 FFAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 253419044 QVJHJIPFQBNTIR-MTQWCTHYSA-N 370.493 2.841 0 50 FFAA Cc1cc(C(=O)N2CCCN3C(=O)c4ccccc4[C@@H]32)c2c(C)noc2n1 215338921 ZPLPCZPIHPXHRU-SFHVURJKSA-N 362.389 2.840 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N[C@@H](C)c2ccccn2)n1C 328628530 NULLQZYRDOFGLK-KSSFIOAISA-N 354.454 2.985 0 50 FFAA CC[C@@H]1CN(C(=O)c2cccnc2NC)CCC(=O)N1Cc1ccccc1 71745957 WYDPXIRYNHAAKR-QGZVFWFLSA-N 366.465 2.777 0 50 FFAA CC[C@@H]1CN(Cc2ccc(OCc3noc(C)n3)cc2)C[C@]2(CCOC2)O1 329982765 AOWVGIRTHSGSKC-XLIONFOSSA-N 373.453 2.727 0 50 FFAA Cc1noc(-c2ccccc2C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)n1 368786716 OCBAVZQJNPKSKL-OAQYLSRUSA-N 374.400 2.781 0 50 FFAA Cc1cccnc1NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O 71281724 SYHYICORYXXECE-UHFFFAOYSA-N 354.797 2.906 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 375180141 ZIOZNEUNKRRUBF-KRWDZBQOSA-N 354.406 2.885 0 50 FFAA Fc1cnccc1N1CCn2nc(CN3CCc4ccccc4C3)cc2C1 72423018 IMMNCWXDLYPERY-UHFFFAOYSA-N 363.440 2.996 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)[C@H]3CC3(F)F)CC2)c1 72428347 TUFHJDPQODKLIT-LLVKDONJSA-N 357.328 2.614 0 50 FFAA CCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F)C(C)C 72153539 BBLFVXOYARNQJE-GOSISDBHSA-N 363.477 2.553 0 50 FFAA Cn1c2c(cc(-c3ccccc3Cl)c1=O)CN(C(=O)[C@@H]1CCOC1)CC2 14536789 HKSKFFBNCWHJQX-CYBMUJFWSA-N 372.852 2.627 0 50 FFAA Cn1cnnc1C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 173889520 BOJRUZNWHIFBMA-IBGZPJMESA-N 367.497 2.576 0 50 FFAA C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCC[C@H]1C 241466098 NUUNMHNDCIBXIX-RDBSUJKOSA-N 354.472 2.619 0 50 FFAA Cc1ccc2c(c1)C[C@H](C(=O)NCc1csc(-c3ncccn3)n1)N2 223191086 PIIVUUFZFMIHQN-OAHLLOKOSA-N 351.435 2.562 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cnc(Cl)c1Cl 48482640 ZNOACYNPZNSSCY-UHFFFAOYSA-N 351.197 2.624 0 50 FFAA CC(=O)c1cn([C@@H](C)C(=O)NCCCn2ccccc2=O)c2ccccc12 426651959 FDQGDPLIDDWYPC-HNNXBMFYSA-N 365.433 2.773 0 50 FFAA Cc1ncc(CN2CCN(C(=O)c3cc(O)ccc3Cl)CC2)s1 290940980 ZSOJKBONMIXVLZ-UHFFFAOYSA-N 351.859 2.769 0 50 FFAA c1nc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)c2nc[nH]c2n1 82166284 PHDQHBJLQZORJX-UHFFFAOYSA-N 366.473 2.700 0 50 FFAA CN1CCN(c2ccc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2)CC1 221332582 AMBNSKKVPFLXAO-FQEVSTJZSA-N 365.477 2.514 0 50 FFAA Cn1cc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c(C2CC2)n1 292146751 WPPROSXJEFPYIB-OAHLLOKOSA-N 369.473 2.984 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2COc3ccccc3C2)n1 91616813 OIHXKGJPTFGRBF-CYBMUJFWSA-N 365.355 2.714 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)c1cc(-c2ccccc2O)n[nH]1 91563237 YVAMTMVMVCNTGM-UHFFFAOYSA-N 361.361 2.762 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1 426531017 SZIFUWBZUXZJGA-KRWDZBQOSA-N 374.444 2.895 0 50 FFAA COc1nn(C)c(C)c1NC(=O)N(C)[C@@H](C)c1ccc2c(c1)OCCO2 96180400 BTKNTMAFOZEXOE-NSHDSACASA-N 360.414 2.733 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)o1 91820043 KHBATPFGYUPMIY-QFBILLFUSA-N 365.477 2.995 0 50 FFAA CSCC[C@@H](O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 95392931 BVAKZOYQHKNWMR-CQSZACIVSA-N 363.310 2.756 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)C2CCC2)CC1 91745321 YBNOQIZYMCXAMD-UHFFFAOYSA-N 359.518 2.697 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccnc2SC)C1 92020511 UHHNYRRWLOLKIY-CQSZACIVSA-N 360.483 2.666 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)on1 92065939 PXFGHGBORQFPQV-UHFFFAOYSA-N 362.861 2.880 0 50 FFAA Cc1cc(N2CCC(NCCc3nnc(C)s3)CC2)nc(C(C)C)n1 95508427 DICSUCRMNVTTFG-UHFFFAOYSA-N 360.531 2.869 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1c[nH]nc1C1CCCCC1 244773958 PJKCRRGALOMWSB-WDYCEAGBSA-N 368.481 2.964 0 50 FFAA C[C@H](C(=O)Nc1ccccn1)N1CCC(CCC(=O)N2CCCC2)CC1 244724267 MQWCZXJXCDKMEL-MRXNPFEDSA-N 358.486 2.523 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(-c2ccsc2)n[nH]1 244602075 DXCCMJCNMJNMKW-AHIWAGSCSA-N 354.435 2.775 0 50 FFAA c1ccc(CN2CCCO[C@@H](CN3CCC(c4cc[nH]n4)CC3)C2)cc1 244633212 FZEMNNZYSHVMGZ-FQEVSTJZSA-N 354.498 2.880 0 50 FFAA Cc1c(Cl)c(C(=O)N[C@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)nn1C 253378381 CKCOGPDEUFVSEP-ZSGNIPIJSA-N 369.799 2.902 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)N1CCO[C@H](CCc2ccccc2)C1 183679777 HTPRGLUNJDKUIM-GOSISDBHSA-N 356.470 2.580 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1 299746471 XPVIPDGFDPGVPT-CGTJXYLNSA-N 369.421 2.566 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)CCO1 299753326 XVEZOBFPJUVZST-WXHSDQCUSA-N 357.328 2.511 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCCc2ccccc2)CNC3=O)c1 263615278 BOFVDQFIZQVVPV-HXUWFJFHSA-N 362.433 2.633 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)N[C@H](C)c3nc(C4CC4)no3)c2)[nH]1 299758287 LEKAUIYXKQWORY-SECBINFHSA-N 353.386 2.923 0 50 FFAA Cc1cc2c(cc1NC(=O)NCCCn1cc(Cl)cn1)OCCO2 299763135 PCLMUXDQLGYIIA-UHFFFAOYSA-N 350.806 2.828 0 50 FFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(CCc1c[nH]c3ccccc13)CC2 299759228 CNFCODIQWSELKV-JRGCBEDISA-N 358.482 2.731 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1 867670076 WRLFKJGRSHITKJ-CYBMUJFWSA-N 353.426 2.743 0 50 FFAA O=C(Nc1cccc(Cn2cnnc2)c1)c1cnn(CC2CCCC2)c1 1875269397 ORVLMAKAXIQJSN-UHFFFAOYSA-N 350.426 2.965 0 50 FFAA O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1conc1[C@H]1CCCO1 1875280452 KNNBMMCYQJHDNG-QGZVFWFLSA-N 357.410 2.740 0 50 FFAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)C3=CCCCC3)C2)c1C 1875398041 YPRUMUZOEUEMJY-FUHWJXTLSA-N 371.529 2.852 0 50 FFAA C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CCC2 1875310347 MYYLSWFTWFVRKC-KUHUBIRLSA-N 352.434 2.856 0 50 FFAA Cc1cccc(C)c1CN1CC[C@@](C)(NC(=O)c2cc(C(N)=O)cs2)C1 1875309752 LQPYWWJZMRQZTP-HXUWFJFHSA-N 371.506 2.858 0 50 FFAA COCCCOCCC(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 952893188 GOBRBZKPFGSKGY-QGZVFWFLSA-N 366.527 2.662 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@H]2c2nccn2-c2ccc(F)cc2)CC1 952890858 KRVKQZZKPPJXLF-OAHLLOKOSA-N 371.412 2.874 0 50 FFAA O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1NC2 886093896 KAQISRMGMHQJAU-MPKXVKKWSA-N 365.359 2.613 0 50 FFAA O=C(N[C@H]1CC12CC(O)C2)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 888951271 MQOBMTZSOVKZNB-HILOLKJVSA-N 369.383 2.684 0 50 FFAA Cc1ccc(OCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565525986 IUEUDRJWNQSOQU-AEFFLSMTSA-N 356.466 2.623 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565514923 DLGWFDLXLURRGA-QAPCUYQASA-N 355.413 2.663 0 50 FFAA C[C@H](CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)Oc1ccc(F)cc1 170602308 RPQPKSOQMKTFEA-IUODEOHRSA-N 352.406 2.719 0 50 FFAA COCc1cccc(CC(=O)Nc2ccc(N3CCOCC3)nc2C)c1 188722983 RUOSIUKHQLPANF-UHFFFAOYSA-N 355.438 2.554 0 50 FFAA Cc1ccc2nc(C3CC3)cc(C(=O)N3CCS(=O)(=O)C[C@H](C)C3)c2c1 191884126 DFGDYVCZOQURKP-CQSZACIVSA-N 372.490 2.927 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)c1 216216221 UQQYKTAEYLHSLK-HOTGVXAUSA-N 352.475 2.629 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@@H]1c1cccc(F)c1 216960377 RKIHPZFLQPINFB-MSOLQXFVSA-N 357.381 2.791 0 50 FFAA N[C@H]1CC[C@@H](NC(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)CC1 1772813551 HBPKNHZTFOQGPA-KFWWJZLASA-N 356.495 2.696 0 50 FFAA COc1ccccc1/C=C/CNCc1cccnc1N1CCC[C@@H](O)C1 11816155 OOFQWQYZZSVSJR-RRGNZLCHSA-N 353.466 2.854 0 50 FFAA O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1 14632631 TUZVFPRISNDQLQ-GOSISDBHSA-N 353.374 2.721 0 50 FFAA C[C@H](C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1)n1cncn1 15080757 GJWPYJVUFFVEBN-LLVKDONJSA-N 359.336 2.621 0 50 FFAA CCN1CCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 19790694 RHWOLUBHHZKDCJ-DIGXMAGLSA-N 350.547 2.608 0 50 FFAA CCCOCCCNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857706070 IWOMKINKPXUGSH-CYBMUJFWSA-N 361.467 2.582 0 50 FFAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857731546 JUFGYBCDHVIZNQ-APWZRJJASA-N 372.808 2.773 0 50 FFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)c1ncc(Br)cn1 330625229 HHNCZDZQZMBQMY-SECBINFHSA-N 367.247 2.999 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@]12CCOC2 329757887 ZQNRQPDDAJNKKO-LMNJBCLMSA-N 358.482 2.632 0 50 FFAA CO[C@]1(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)CCOC1 330008788 GXJNWCZTRJSNNX-GOSISDBHSA-N 352.500 2.952 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccc(F)cc1 247876027 TXSCKUAMFWYVKS-APWZRJJASA-N 367.424 2.526 0 50 FFAA CCCOc1ccc(CNC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c(C)c1 252508385 XMKWYTUVNVLXQO-LJQANCHMSA-N 372.469 2.800 0 50 FFAA O=C(CC[C@@H]1CCCCO1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155817970 KYELGUNLQGVOKM-INIZCTEOSA-N 356.470 2.556 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(O)cc3F)C1)CC2 1704316549 UNLGWKOUKHDMCT-FQEVSTJZSA-N 370.428 2.508 0 50 FFAA C[C@H](N[C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc2ncccc12 905851953 AVNRUHFLXJNYTI-ZOCIIQOWSA-N 370.522 2.731 0 50 FFAA COc1ccc(-n2ccc(CNC(=O)C34CCC(C(=O)O)(CC3)C4)n2)cc1 824695150 LKVNMEPWQMAZJY-UHFFFAOYSA-N 369.421 2.532 0 50 FFAA O=C(NCCc1ccncc1Br)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1 2325807848 XLKCUTUBWVQCBQ-CUFDPUGPSA-N 367.287 2.690 0 50 FFAA O=C1NC[C@H]2CC[C@H]1N2C(=O)CSCc1ccc(Cl)c(Cl)c1 2325818994 LPOSFIRKKJHGDG-ZWNOBZJWSA-N 359.278 2.716 0 50 FFAA CCC[C@H](C)CC(=O)N(C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868274 VEANGFGLPFGSCP-OOKSDGMUSA-N 351.535 2.650 0 50 FFAA O=C(NCCc1csc(Br)c1)c1ccnc2nccnc12 2325873383 FSBTYRGHBMIGOS-UHFFFAOYSA-N 363.240 2.821 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)CC1 2325885221 KICCBNOWTCCAPD-MRXNPFEDSA-N 358.486 2.664 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2csc(Br)c2)CC1 2325888363 MNXACNMMKXXQKN-UHFFFAOYSA-N 371.300 2.894 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1 67612239 WHSKOPFMXZQGCB-UHFFFAOYSA-N 361.243 2.510 0 50 FFAA O=C(Cc1cc2ccccc2c(O)n1)N1CCN[C@H](Cc2ccccc2)C1 1454578416 KRYFIKXYYKFWSS-LJQANCHMSA-N 361.445 2.526 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 641603 YYWSYPRPVZJCON-SFHVURJKSA-N 353.403 2.530 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3nc(C)ns3)CC1)OCC2 2356141795 PWECJMWULXQYQP-UHFFFAOYSA-N 361.467 2.932 0 50 FFAA Cc1cc(C)cc(N([C@@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)c1 2864388 GIRHQPXCDGVDIO-KRWDZBQOSA-N 374.506 2.817 0 50 FFAA CCOc1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1OC 2954268 YXRKUSJZEYGAGR-HNNXBMFYSA-N 360.454 2.501 0 50 FFAA Cc1cc(N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)c2cc3c(cc2n1)OCO3 2356151838 CIJNCDKKOOXGBP-ZNMIVQPWSA-N 367.449 2.965 0 50 FFAA Cc1nc(C)c(-c2nnc3n2[C@H](C)C(=O)N(CCc2ccccc2)C3)o1 2356161097 GGIAAVZHINFTIU-CYBMUJFWSA-N 351.410 2.696 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(O)c(C(=O)O)c3)ccc12 4038781 OAEIFWRUWWMEQK-UHFFFAOYSA-N 369.329 2.523 0 50 FFAA biogenic O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(C(=O)O)cc1 4674100 QJNWIFXGEHEWPT-UHFFFAOYSA-N 364.810 2.930 0 50 FFAA O=C([C@H](O)c1ccccc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4857343 XMELLPBLFVJOER-WBVHZDCISA-N 364.323 2.608 0 50 FFAA CSc1ccccc1NC(=O)CCC(=O)N[C@H](CO)c1ccccc1 55089715 GUHPIQSJLYAPDS-MRXNPFEDSA-N 358.463 2.977 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 56626032 LUOGTXLJPSFGKO-QGZVFWFLSA-N 371.485 2.750 0 50 FFAA CCN1CCN(C(=O)c2cccc(NCc3cccnc3)c2C)[C@H](C)C1=O 55132155 VFUVHQDHZOCWPG-MRXNPFEDSA-N 366.465 2.695 0 50 FFAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc(CSc2ncccn2)o1 55098853 XXMWDTMMDDBUPS-UHFFFAOYSA-N 357.439 2.674 0 50 FFAA Cc1cc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)ccc1F 67894607 CXEPEUSFPQVHPL-JOCHJYFZSA-N 370.468 2.820 0 50 FFAA COc1cccc2c1ccn2CC(=O)Nc1nnc([C@H]2CCCO2)s1 61720817 SBORGPUDMVVSOU-CQSZACIVSA-N 358.423 2.992 0 50 FFAA Cn1cc(NC(=O)c2cccc(CN(Cc3ccccn3)C3CC3)c2)nn1 67955538 GLUDUISHISUOBZ-UHFFFAOYSA-N 362.437 2.627 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)c2ccc3[nH]nnc3c2)cn1 67948035 QBSRBZNNEWLDLV-UHFFFAOYSA-N 360.377 2.779 0 50 FFAA C[C@@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1ccc(Cl)cn1 120156954 TVVQDWZNMZLTIU-LLVKDONJSA-N 360.863 2.668 0 50 FFAA COc1ccc(-c2cnnc(N3CCC[C@@H](CCCO)C3)n2)c(OC)c1 12210187 DSSWDMXUKSDFEH-AWEZNQCLSA-N 358.442 2.545 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCN(c3ccc(F)cn3)CC1)O2 476588717 PQZUXYKMTYBQGV-SFHVURJKSA-N 355.413 2.572 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 72474327 FIIVJMSEWWDOHD-UHFFFAOYSA-N 365.433 2.557 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2scnc2C)n1C 328621265 HRAQZSJPHFSHNR-HNNXBMFYSA-N 360.483 2.794 0 50 FFAA Cn1ccc(CC(=O)N2CCCC[C@H]2c2nnc(-c3ccccc3F)o2)n1 328608511 ZFDHLUWMAFITSX-INIZCTEOSA-N 369.400 2.906 0 50 FFAA Cn1cccc(C(=O)NC[C@@H](O)c2cccc(Oc3ccccc3)c2)c1=O 215391043 ZKIIMIGWMZLVGE-LJQANCHMSA-N 364.401 2.641 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 12302026 WKGXQHDBGHKOFD-GFCCVEGCSA-N 372.425 2.539 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCN(c2ncccn2)CC1 173049093 UNCAPQJMZAGTPS-UHFFFAOYSA-N 357.483 2.862 0 50 FFAA CCc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1C(=O)O 152964946 BTGRNMWVMBDGDY-UHFFFAOYSA-N 354.453 2.533 0 50 FFAA CN(C)c1ccc(-c2cncc(C(=O)N3CCC[C@H](N(C)C)C3)c2)cc1 153494007 FZDKOLBARRECKA-FQEVSTJZSA-N 352.482 2.981 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCn1cnc2ccccc21 124407446 BHTMAXUTNNXOCB-OAHLLOKOSA-N 352.442 2.793 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)CCn3nc(C)c(C)c3C)nc2c1 219466661 DUADQVHVBJVUEL-UHFFFAOYSA-N 369.469 2.784 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2nc(C)ncc2Cl)[C@@H](C)C1 72432996 CPWLVSBTWXIQJI-LBPRGKRZSA-N 360.845 2.798 0 50 FFAA O=C([C@H]1CCCN1C1CCOCC1)N1CCC(Cc2ccccn2)CC1 367298628 LRGIRLOFUQJGTB-HXUWFJFHSA-N 357.498 2.506 0 50 FFAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCOc3ccccc3)C2)c1 72167813 JPLAZBQRVHXVFB-KRWDZBQOSA-N 352.434 2.646 0 50 FFAA C[C@@]1(CNC(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CCCC[C@H]1O 241587788 OXFJLPYFFGZVOI-HYVNUMGLSA-N 359.388 2.970 0 50 FFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCC(O)CC3)cnc21 77553746 CEKMXIDMVXMUOQ-UHFFFAOYSA-N 370.840 2.886 0 50 FFAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCO[C@@H](c4ccc(F)cc4)C3)c12 71752790 UBOFAFGOJRLEAY-OAHLLOKOSA-N 370.384 2.692 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)c2c(C(C)C)noc2n1 371638436 RDWMJBLHNSYIAT-ZDUSSCGKSA-N 371.397 2.560 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)nc1 77406096 LGEPVFFDPGOSHH-NRFANRHFSA-N 365.481 2.898 0 50 FFAA CCc1nc2c(c(NC[C@H]3CCOC3)n1)CCN(Cc1ccoc1)CC2 72407907 KCWOKPKDTBZWKU-OAHLLOKOSA-N 356.470 2.681 0 50 FFAA CCn1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 334135022 XPZDAWUHFGYBHE-AWEZNQCLSA-N 374.407 2.794 0 50 FFAA CCCc1oncc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72121873 CRHMPKOZZVTEKI-GOSISDBHSA-N 353.466 2.942 0 50 FFAA CCc1nc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)no1 72157495 JRHUYMWQVWSXDW-NSISKUIASA-N 356.445 2.833 0 50 FFAA O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)[C@H]1CCc2[nH]nnc2C1 241262037 LATKTSRCZSHALD-ZDUSSCGKSA-N 367.384 2.552 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@@H](Cn4cncn4)C3)c2c1 175070407 JQVTWLHZZLSVNW-MRXNPFEDSA-N 351.454 2.939 0 50 FFAA CCn1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1=O 82162064 ZHZNCIVHCYWNME-UHFFFAOYSA-N 369.509 2.595 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CCO[C@H](c3ccco3)C2)C1 133278000 GOGBRKMJOFICFT-KXBFYZLASA-N 371.437 2.650 0 50 FFAA O=C1COc2c(cccc2NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)N1 290646718 QMGKJYWPJHZGFX-INIZCTEOSA-N 365.433 2.868 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)N[C@@H](CC(C)C)C(N)=O 426618091 HVJVZDQZNZAQNK-INIZCTEOSA-N 364.877 2.871 0 50 FFAA Cc1nsc(N2CCCN(C(=O)[C@H]3CCCN3c3ccccc3)CC2)n1 329893619 JOKFQEMZILNWBJ-QGZVFWFLSA-N 371.510 2.554 0 50 FFAA CC1(C)[C@H]2CC=C(CCNC(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)[C@@H]1C2 426545394 UJJRHWILQIMXTE-IRXDYDNUSA-N 370.497 2.865 0 50 FFAA COc1ccnc(C(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c1 223626715 SEJRYNANXSIEAM-HXUWFJFHSA-N 354.450 2.936 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cc(-c3ccccc3)on1)C2 220021458 LIOQHWLYLLJULX-KRWDZBQOSA-N 352.394 2.638 0 50 FFAA Cc1nc(CCCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 96162050 HHISRXQZGJFTBG-OAHLLOKOSA-N 358.467 2.603 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426438859 LRYQTOSACIMKKS-MRXNPFEDSA-N 366.421 2.550 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@H]1CCCN(c2ccccn2)C1 97259166 UVDIYZBJDHVDTI-IBGZPJMESA-N 364.493 2.867 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NCCCOc1cccnc1 426500042 DGEKNGJDGRYRDD-UHFFFAOYSA-N 353.466 2.846 0 50 FFAA Cc1nc2cc(C(=O)N[C@H]3CN(C(=O)C(C)(C)C)C[C@@H]3C3CC3)ccc2[nH]1 95384474 CHJQFSKNUJTMOI-QAPCUYQASA-N 368.481 2.884 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCCN2CCCC2)C3)cc1 96133820 MIDOCKUIDBNHDR-UHFFFAOYSA-N 368.481 2.846 0 50 FFAA CCc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)o1 91985420 ZJHVVRDVDDWNSJ-HNNXBMFYSA-N 370.453 2.767 0 50 FFAA CC[C@H](NS(=O)(=O)c1ccc(-c2c(C)noc2C)s1)[C@H]1C[C@H](O)C1 244685619 ITNZHRYCQFBIMT-AVGNSLFASA-N 370.496 2.848 0 50 FFAA Cn1cc([C@@H](NC(=O)Cc2ccc(F)c(Cl)c2F)[C@H]2C[C@H](O)C2)cn1 252518176 AFNLMNLUFQFHFC-ZMNCSTGQSA-N 369.799 2.523 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)C[C@@H]3CN(C(C)C)CCO3)no2)cc1 534639341 FCALMXUMAIRXLI-GOSISDBHSA-N 357.454 2.766 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2nnn(C)n2)cc1)c1nc(C)c(C)s1 822668799 GEYLZYTXHOAJBA-CQSZACIVSA-N 356.455 2.832 0 50 FFAA C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1 1875294050 LOGIFCAUFJYZKE-CGTJXYLNSA-N 370.497 2.774 0 50 FFAA COC(=O)C1(C2CCN(C(=O)[C@H](Cc3ccccc3)N(C)C)CC2)CCC1 1875298383 YZDWNPTWPGVFQC-IBGZPJMESA-N 372.509 2.741 0 50 FFAA NC(=O)c1ccc(F)c(C(=O)Nc2ccnc(Cc3ccccc3)n2)c1 1875341024 COJQBSNHQUNYOP-UHFFFAOYSA-N 350.353 2.558 0 50 FFAA COc1ccc2c(c1)CC[C@]2(O)CNC(=O)N[C@H]1CCc2c(O)cccc21 1875303619 FVDCFWZXWZIMTN-RXVVDRJESA-N 368.433 2.521 0 50 FFAA CS(=O)(=O)NC(=O)c1ccccc1NCCc1ccc(Cl)cc1 1875390911 HWXWPXVPNFTGQI-UHFFFAOYSA-N 352.843 2.684 0 50 FFAA C=CC(=O)N(CCc1ccccc1F)C[C@H]1CCO[C@@H]1c1cnn(C)c1 1875386039 HTFKZCRYPNFREG-UZLBHIALSA-N 357.429 2.894 0 50 FFAA c1ccc(-c2nc(NC[C@H]3C[C@@]4(CCNC4)CO3)c3ccsc3n2)nc1 1875404446 JCUNSVUGTOXUQN-BFUOFWGJSA-N 367.478 2.934 0 50 FFAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CCOC2(CCNCC2)C1 952971734 VEFNMYUKVCJFOL-UHFFFAOYSA-N 363.889 2.535 0 50 FFAA NC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc(Cl)cc1 1348614352 OVKYLBDJFLRVCU-MRXNPFEDSA-N 372.787 2.621 0 50 FFAA CC(C)[C@H]1CN(Cc2ccccc2Cn2cccn2)C[C@@H]1NC(=O)N(C)C 1565516478 GGQJNNUCUSEIMD-UXHICEINSA-N 369.513 2.659 0 50 FFAA COC(=O)[C@H](CCSC)NC(=O)c1ccc(N)cc1-c1ccccc1 59965920 MCSVVHVRYQWPDV-KRWDZBQOSA-N 358.463 2.960 0 50 FFAA in-vitro Cc1nnc2ccc(N[C@H]3CCCN(Cc4c(F)cccc4F)C3)nn12 301253527 NARUFCNVXBYURV-ZDUSSCGKSA-N 358.396 2.787 0 50 FFAA CN(C)C(=O)c1ccc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)[nH]1 275548866 FABAFUWLQOQDND-GOSISDBHSA-N 372.538 2.922 0 50 FFAA Cc1cc(C)n(CC(=O)N(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 275648190 KKRBLFGPVZDPQU-KRWDZBQOSA-N 358.511 2.732 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCC[C@H](Oc3ncccc3F)C2)c(O)n1 279763929 RQQVFMOYLYNYGH-AWEZNQCLSA-N 374.416 2.691 0 50 FFAA Cn1ncc2c(N)nc(NC[C@@H](c3ccccc3)N3CCCCCC3)nc21 1529188840 DUUSTTIVNYTCDG-KRWDZBQOSA-N 365.485 2.975 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccncc3Cl)C1)CC2 1704300579 XYWDPLRHBMMSHP-LJQANCHMSA-N 371.872 2.711 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cccc(C(=O)O)c3)C1)CC2 1704305694 QRSFKMGJMOAEHM-OAQYLSRUSA-N 366.465 2.721 0 50 FFAA COc1c(C)cnc(CN2CCCN(C(=O)c3cscn3)CC2)c1C 1772708012 BFJTUZIXSKPKBQ-UHFFFAOYSA-N 360.483 2.512 0 50 FFAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@H](C2(O)CC2)C1 1772819970 ZBOQFXDRDAMVDR-INIZCTEOSA-N 353.422 2.991 0 50 FFAA O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 5613086 KBPNCUVBTWFKGL-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)N1CCCCC1 5060266 KTBDEHXLVDAWEU-UHFFFAOYSA-N 356.447 2.875 0 50 FFAA COc1ccc2c(C)nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2c1 14887884 CEEPJYIZUQLPAZ-OAHLLOKOSA-N 354.454 2.786 0 50 FFAA Clc1cccc(-c2cnnc(N3CCN(c4ccccn4)CC3)n2)c1 14950203 UMRMVFBEMOGEDE-UHFFFAOYSA-N 352.829 2.914 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NC(=O)C2CCCC2)C1 15076529 IUSOGZXNLLLYLO-MRXNPFEDSA-N 358.486 2.633 0 50 FFAA CCc1noc(-c2ccn3c(CNC(=O)C4CCCCC4)nnc3c2)n1 169776150 LMOZVHDTEKLZIC-UHFFFAOYSA-N 354.414 2.538 0 50 FFAA CC(C)c1noc(-c2ccn3c(CNC(=O)c4ccccc4)nnc3c2)n1 169776281 OGZOMPSSCGCVOH-UHFFFAOYSA-N 362.393 2.833 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCCOc1ccc(F)cc1)C[C@H]2O 1857711895 HSQGXSMROAGJFH-GXRSIYKFSA-N 371.452 2.663 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N[C@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)cc2c1 1857723656 PNSULGPDKDRRSI-BBTUJRGHSA-N 365.477 2.833 0 50 FFAA O=C1C[C@H]2N(Cc3nc4ccccc4[nH]3)CC[C@]23O[C@H](c2ccccc2)CN13 1857738065 QDOXYRHPVXXOKK-JQVVWYNYSA-N 374.444 2.837 0 50 FFAA Cn1ccn2ncc(C(=O)N3CC[C@H](c4ccc5ccccc5c4)[C@@H](O)C3)c12 212860933 YSZNGZJZUFWKCO-QUCCMNQESA-N 374.444 2.817 0 50 FFAA NC(=O)c1cc([C@@H]2CCCN(Cc3ncc(Cl)cc3Cl)C2)[nH]n1 332324805 ODKBECHXPXVLIS-SECBINFHSA-N 354.241 2.590 0 50 FFAA CCOc1ccc(Cl)cc1CCNC(=O)N[C@H]1CCc2[nH]ncc2C1 128113040 MQJVBFQNJZOVQE-HNNXBMFYSA-N 362.861 2.861 0 50 FFAA COc1ccccc1N1CCN(c2nncc(-c3ccc(C)o3)n2)CC1 11936869 CXGPUVWEUNXQSC-UHFFFAOYSA-N 351.410 2.775 0 50 FFAA C[C@@H](c1nnnn1-c1ccccc1)N1CCO[C@@]2(CCc3ccccc32)C1 245504666 FEIMDXKFVQKFAK-KKSFZXQISA-N 361.449 2.897 0 50 FFAA O=C(O)[C@@H]1CCCN1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 262607727 BBSNPOILQGCBTO-QFBILLFUSA-N 370.474 2.771 0 50 FFAA C[C@H]1CCCCN1S(=O)(=O)NCCc1coc(-c2ccc(F)cc2)n1 263683492 NGMJDRSEDQMMJP-ZDUSSCGKSA-N 367.446 2.732 0 50 FFAA O=C(C(=O)N1CCOCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 2876770 IFQFXJACQOHJFL-UHFFFAOYSA-N 366.392 2.870 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccn1 2100555354 SCGWTXZSQKSLDA-LJQANCHMSA-N 363.421 2.817 0 50 FFAA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)Cc1csc(CN)n1 2325795950 HLKQLGDMGKIILF-VIFPVBQESA-N 363.874 2.894 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)ccc1F 2325843099 UHWMBLFGLDFZCA-CQSZACIVSA-N 358.417 2.625 0 50 FFAA Cn1cnc2ccc(NS(=O)(=O)c3ccc(Cl)c(F)c3)cc2c1=O 2325873033 WHOXNCIAPWHYMB-UHFFFAOYSA-N 367.789 2.527 0 50 FFAA Cn1cc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c(-c2ccoc2)n1 869814685 NWBCBOFRFJLYCG-UHFFFAOYSA-N 362.433 2.638 0 50 FFAA Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)c(=O)n(-c2ccccc2)n1C 682962 RMSGJMGRAPUGBL-OAHLLOKOSA-N 351.406 2.890 0 50 FFAA COc1cc(OC)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC 808371 CHHYNIKRBVNUIF-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA Cc1cccc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2C)c1 896990 DFHMCSOODKOUFG-UHFFFAOYSA-N 360.468 2.681 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nccn2C)nc1C 917840 MJPHQEPGHGFGFG-SNVBAGLBSA-N 368.484 2.871 0 50 FFAA CCc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 1112566 ADQISYKMGPRKOG-UHFFFAOYSA-N 372.490 2.600 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N[C@H]1CC[C@@H](C(=O)O)CC1 2356144980 VFPGAAHDTOWBGI-TXEJJXNPSA-N 361.373 2.568 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)NCc1cccc3ncsc13)C(=O)CO2 2356155973 PXRBOPHDMWPBBB-UHFFFAOYSA-N 367.430 2.647 0 50 FFAA O=S1(=O)C[C@@H]2[C@@H](C1)N(c1ccc(F)cc1)C(=S)N2c1ccccc1 4168074 KPSMOCQPWHFTJP-HZPDHXFCSA-N 362.451 2.603 0 50 FFAA CCc1oc(C(=O)Nc2ccccc2-c2nnn[nH]2)cc1CN1CCCC1 55120516 DWFSSFPFHLIHHJ-UHFFFAOYSA-N 366.425 2.870 0 50 FFAA COC(=O)[C@H]1CN1C(=O)c1cccnc1SC/C=C/c1ccccc1 55370636 JBFLDBASBOGJGD-QGCZZCTHSA-N 354.431 2.885 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c(C)s1 246810042 NXBSPPXHUBBCHU-QITLCBANSA-N 374.510 2.885 0 50 FFAA CC(C)N1CCC(NC(=O)CN2C[C@H](c3ccccc3)OCC2(C)C)CC1 114456380 MFTXTRXHEFNIHW-HXUWFJFHSA-N 373.541 2.828 0 50 FFAA CSc1ncc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)cn1 22852435 LWAFLLPDPZYXCI-IBGZPJMESA-N 372.538 2.576 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 56626033 LUOGTXLJPSFGKO-KRWDZBQOSA-N 371.485 2.750 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCN(Cc2cccc(F)c2)CC1 20190216 HSEFCZPANPFVOS-UHFFFAOYSA-N 371.456 2.981 0 50 FFAA CCn1cc(-c2c(-c3ccccc3)ncn2[C@@H]2CCS(=O)(=O)C2)cn1 65398696 JWPOHEGRMNLCNY-MRXNPFEDSA-N 356.451 2.793 0 50 FFAA O=C1C[C@H](c2ccc3c(c2)OC(F)(F)O3)c2c(nc3ccccn23)CN1 65381295 NTQKDRNASXXALA-LLVKDONJSA-N 357.316 2.808 0 50 FFAA CCC[C@H](C)c1cc(NS(=O)(=O)c2csc(C(=O)OC)c2)n[nH]1 471501884 YKCLDTPYKPHFGL-VIFPVBQESA-N 357.457 2.962 0 50 FFAA C[C@H]1CN(C)CCCN1C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 63844997 WHZQGVOMOIOJGN-HNNXBMFYSA-N 363.465 2.802 0 50 FFAA COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Sc1ccccn1 3052912 ZPQFXYAVLROXSL-UHFFFAOYSA-N 369.402 2.574 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)cn1 329011290 DPQCGRAVDJMZMJ-SFHVURJKSA-N 365.437 2.734 0 50 FFAA O=C(CN[C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)N1CCN=C(O)C1 329047129 GBLQUORCWOLJAD-GJZGRUSLSA-N 369.387 2.730 0 50 FFAA CCc1nc(N[C@@H](CCn2cncn2)c2ccccc2)c2cnn(C)c2n1 72161941 NFWNGKHUECUIBS-INIZCTEOSA-N 362.441 2.761 0 50 FFAA CCCCOC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 77555577 CNDYNCGNKPHDRI-MRXNPFEDSA-N 363.506 2.917 0 50 FFAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 154406331 PAJLNPCPSWOMAU-QGZVFWFLSA-N 373.478 2.795 0 50 FFAA O=C(Cc1cnc2ccccc2c1)N1CCC(c2nnc3n2CCC3)CC1 363914650 XYXJYWTWLFUFPX-UHFFFAOYSA-N 361.449 2.721 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 12712394 QSCKGDNDDQDSQW-GOSISDBHSA-N 360.889 2.934 0 50 FFAA Cc1n[nH]c2ncc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc12 126344968 QGASHQLSRLBVTJ-NSHDSACASA-N 369.812 2.911 0 50 FFAA CN(CC(F)(F)F)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 367057480 JXKVINIXCQONHC-UHFFFAOYSA-N 358.364 2.887 0 50 FFAA COc1cccc(C2(c3noc([C@H]4CC45CCS(=O)(=O)CC5)n3)CC2)c1 377551120 VBWRZTMVVVAKQX-OAHLLOKOSA-N 374.462 2.840 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H]3CCCC(F)(F)C3)C2)n1 333005265 NJFSJPBJPZVYMR-GJZGRUSLSA-N 355.433 2.894 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3nn(C)cc3Cl)C2)CCC1=O 77321908 FFMFPUYSVQVIFU-SFHVURJKSA-N 366.893 2.718 0 50 FFAA CN(c1cccc(NC(=O)CCc2ccccc2F)c1)S(C)(=O)=O 72442246 IPZOLJHDXFGRRI-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA CN(C(=O)c1ccc(C(=O)NCCCn2cccn2)cc1)c1ccccc1 157950973 YKNQJECTVBWGII-UHFFFAOYSA-N 362.433 2.980 0 50 FFAA COc1ccc(CN2CCC(c3[nH]ncc3C)CC2)cc1Cn1cncn1 215859826 AZDQZBAGGZHTQI-UHFFFAOYSA-N 366.469 2.746 0 50 FFAA O=C1C[C@@H](Cc2ccc(C(=O)Nc3cccc4cccnc34)cc2)C(=O)N1 174167174 SWOPMMALHSMGPQ-MRXNPFEDSA-N 359.385 2.692 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CCC2(CC1)CNC(=O)C2 77503541 FWNMPQVVKYZITR-UHFFFAOYSA-N 350.484 2.528 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nnc(-c2ccccc2)o1 265544331 FIRVKGSYFSHPBG-OAGGEKHMSA-N 369.421 2.914 0 50 FFAA CC(=O)N(C)c1ccc(-c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)cc1 426549221 VVTYLWGXPYQTPS-HNNXBMFYSA-N 351.450 2.770 0 50 FFAA COc1ccc(CC(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1 82107793 ROIWHTKGDXMSLM-UHFFFAOYSA-N 370.497 2.612 0 50 FFAA CSc1cccc(CN(C)C(=O)Cn2nccc2[C@H]2CCCNC2)c1 426550637 OJSAPLDAVKTDIU-INIZCTEOSA-N 358.511 2.731 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(CN3CCCC3)o1)C2 95502141 LSUUOFAFKHQNBS-OAHLLOKOSA-N 370.449 2.865 0 50 FFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCN(C2CCSCC2)CC1 97654216 RIOYETUZRKEAML-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1ccc(-n2ccnc2)cc1 97618939 VAFDJRJCJWLKHR-UHFFFAOYSA-N 353.451 2.859 0 50 FFAA CCn1c(=O)oc2cc(NC(=O)N(C)Cc3noc(C4CCC4)n3)ccc21 426488357 OFPIGRQAYABTCP-UHFFFAOYSA-N 371.397 2.929 0 50 FFAA CCN1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95500891 ANMZODKVLJKXEF-INIZCTEOSA-N 356.825 2.843 0 50 FFAA CCOC(=O)[C@@H](C)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91725947 WYRVQVQLBKWJMA-GOSISDBHSA-N 372.509 2.885 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccnc(-n3cnnc3)c2)cnn1-c1ccccc1 91943680 LJGDBYYDBGZLDD-AWEZNQCLSA-N 373.420 2.647 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91915364 XFQLSIXVTFAKKH-DLBZAZTESA-N 368.433 2.658 0 50 FFAA Cc1cccc(C)c1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 95376311 OFMBIWCZGHKLJC-QZTJIDSGSA-N 350.466 2.830 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C(C)C)on1)CC2 95517968 AGIMEVHAXYPBLX-UHFFFAOYSA-N 371.485 2.921 0 50 FFAA c1cnc(N2CCC(N[C@H]3CCCN(Cc4cccs4)C3)CC2)nc1 95507364 UYHIVOKVZFMPTL-KRWDZBQOSA-N 357.527 2.761 0 50 FFAA Cc1cccc(C(C)C)c1NC(=O)CN1CCN(C(=O)c2ccc[nH]2)CC1 244742141 OCLKOHRQBKJUJF-UHFFFAOYSA-N 368.481 2.843 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cc2)n1 244852771 UYMGLXRHOMWUSJ-QGZVFWFLSA-N 356.426 2.582 0 50 FFAA COc1ccc([C@H](NC(=O)c2nccc3ccccc23)[C@H]2C[C@@H](O)C2)cn1 244787681 QBLVUPUGOOSAOD-FCEWJHQRSA-N 363.417 2.880 0 50 FFAA COc1ccc(-c2cc(CNc3cc([C@H]4C[C@H](N)C4)ncn3)no2)cc1 244724342 MSDWIOKXGJJZJO-HDJSIYSDSA-N 351.410 2.957 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN1CC(c2nc3ccccc3[nH]2)C1 244795063 QYVIEZOABGHGQP-UHFFFAOYSA-N 363.421 2.559 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244715775 LCCPCXUDEUNZBC-QUJCMNEKSA-N 359.495 2.911 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)NCC3(O)CCCCC3)n2)cc1 534640100 BPEWJTZOGJLMPP-UHFFFAOYSA-N 358.442 2.582 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 534642121 OPZUSUHYVXNONC-UHFFFAOYSA-N 368.462 2.527 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)NCc1cccc(Cl)c1Cl 534589039 AUXFXQCLLBAXEY-UHFFFAOYSA-N 361.269 2.924 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2ccnn2Cc2ccccc2)CC1 299788436 SCPGYTHQQHXTOH-UHFFFAOYSA-N 371.441 2.674 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1 299777122 JDKAMOWZUJECIN-KRWDZBQOSA-N 367.453 2.703 0 50 FFAA Cc1nn(CC(=O)N2CCC([C@H](O)c3ccccn3)CC2)c(C)c1Cl 299795845 LZEPGRLONOKARZ-SFHVURJKSA-N 362.861 2.521 0 50 FFAA Cc1ccccc1CSCCCNC(=O)CN1C[C@H](C)O[C@H](C)C1 299763499 NUHAPWOHADZSRC-CALCHBBNSA-N 350.528 2.844 0 50 FFAA Cc1cc(C)nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299761349 JZHWMMZXNRSHCK-OTWHNJEPSA-N 350.466 2.935 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N[C@H](C)c1nc(-c2ccncc2)no1 299778830 OQADMRXKCYHRML-GFCCVEGCSA-N 354.414 2.962 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 299761144 VJYHGCWPAFXOMT-GFCCVEGCSA-N 357.439 2.753 0 50 FFAA O=C(NCc1cc(C2CC2)on1)N1CCC[C@@H](OCc2ccccn2)C1 584889861 LKTQQIPUBINFAL-QGZVFWFLSA-N 356.426 2.838 0 50 FFAA COc1ccc2nc(CNC(=O)c3ccc(CN4CCCC4)o3)[nH]c2c1 670467784 FWPRRXXASSQEDL-UHFFFAOYSA-N 354.410 2.690 0 50 FFAA O=c1c2cnn(Cc3ccccc3)c2ncn1C[C@@H](O)CCc1ccccc1 1875289969 BOMYPWFCPYQYJB-IBGZPJMESA-N 374.444 2.635 0 50 FFAA C[C@@H](NC(=O)NCc1ccc(-c2cc[nH]n2)cc1)[C@H](O)Cc1ccccc1 1875264516 IIJHFCLHQHMTNE-FOIQADDNSA-N 364.449 2.868 0 50 FFAA O=C([C@@H]1CCc2nncn2CC1)N1CCc2ccccc2[C@@H]1c1cccnc1 1875298180 QOIOTMXMPUKHHP-UTKZUKDTSA-N 373.460 2.800 0 50 FFAA CC(C)(C)c1ccnc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC23CC3)c1 1875407123 SZBPMCZLINCQGJ-HRCADAONSA-N 353.466 2.605 0 50 FFAA O=C(NCC[C@@H]1CCCS1(=O)=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 881899727 DICDBMVZILWRCG-STQMWFEESA-N 367.364 2.800 0 50 FFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@H](c1cccc(F)c1)N(C)C 952987653 PCQFRXRPEBWRPQ-IBGZPJMESA-N 372.444 2.567 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2nccc(C(F)(F)F)n2)C1 886034073 ITPIXDVQVKUVIK-WCQYABFASA-N 354.332 2.563 0 50 FFAA O=C(Nc1ccc(Oc2ccccc2F)cc1)N1C[C@H](CO)[C@@H](CO)C1 1565508117 FVZIDKCXSBEBEN-ZIAGYGMSSA-N 360.385 2.683 0 50 FFAA Cc1c(C(=O)N2CC[S@@](=O)C[C@H](C)C2)cnn1-c1ccc(Cl)cc1 277738755 XXSKYOIPTPYCHL-OIRASMEMSA-N 365.886 2.675 0 50 FFAA CCOC(=O)COc1ccc(NC(=O)NCc2cccc(OC)c2)cc1 170595851 GGYJHSPLIJMJAE-UHFFFAOYSA-N 358.394 2.959 0 50 FFAA CC(C)c1ccc([C@@H](N)CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 170684766 ZFYPOHKIYDDIRQ-INIZCTEOSA-N 367.902 2.978 0 50 FFAA O=C(c1ccnc(O)c1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280014712 MXIYSNCHFYRPOF-FZMZJTMJSA-N 352.312 2.754 0 50 FFAA C[C@@H](NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[C@@H](O)c1cccc(F)c1 771732273 JEECLSFYEAVUFM-SJKOYZFVSA-N 374.387 2.922 0 50 FFAA COc1cc(-c2onc(N3CCC(OC)CC3)c2C(=O)O)ccc1F 1704312110 JVLRJCRGRDYWDO-UHFFFAOYSA-N 350.346 2.803 0 50 FFAA c1ccc(CC[C@@]23CN(Cc4cc[nH]n4)C[C@H]2CN(c2cnccn2)C3)cc1 1772816626 QHPCICPYXFJZKM-UGKGYDQZSA-N 374.492 2.771 0 50 FFAA CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1 5022708 VIFVZVZVLRODGB-UHFFFAOYSA-N 351.449 2.997 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3CC(=O)N(CC(C)(C)C)C3)c(C)c2c1 11753994 GGZGRLCCSIACRV-ZDUSSCGKSA-N 357.454 2.862 0 50 FFAA CN(CCN1CCCCC1)C(=O)c1coc(COc2ccc(F)cc2)n1 12469556 BSMPEBUBQLWICY-UHFFFAOYSA-N 361.417 2.951 0 50 FFAA CSCCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12597323 RNRSWCJAHSCLEI-OAHLLOKOSA-N 368.930 2.990 0 50 FFAA CN1CCN(Cc2cnc(-c3cccc4ccccc34)nc2)C[C@@H]1CCO 19731132 UFZBZIIEKONSOC-IBGZPJMESA-N 362.477 2.795 0 50 FFAA C[C@H](c1ccccc1)N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 19880969 OZFMZIOAGPZXNE-BXUZGUMPSA-N 356.403 2.761 0 50 FFAA OCC[C@H]1CN(Cc2cccn2-c2ccccn2)CCN1C1CCCC1 19885592 MTDDTEIOSISFOK-FQEVSTJZSA-N 354.498 2.684 0 50 FFAA CS(=O)(=O)c1ccc(-c2nccn2[C@H](CO)c2ccc(F)cc2)cc1 1857721722 CLLLWHKFOBEHAK-QGZVFWFLSA-N 360.410 2.674 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c2ccccc2n1C 328875791 ZOBGTSAXLDZQNM-OALUTQOASA-N 360.479 2.819 0 50 FFAA Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cnn1C1CCCC1 123325544 ACZUTMVNZWUOGM-UHFFFAOYSA-N 354.410 2.914 0 50 FFAA CNC(=O)c1ccnc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 247969744 UCYTVDISJMSJSV-UXHICEINSA-N 361.445 2.949 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3C(=O)O)n2)cc1F 136531440 CHMYISRPONROKI-AWEZNQCLSA-N 361.373 2.582 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCc2ccccn2)cs1 477511464 PJICVUHPHWKPAP-YOEHRIQHSA-N 362.474 2.508 0 50 FFAA CNc1cc(N2CCC[C@@H]2CNc2ccc(OC(F)F)cn2)ncn1 161917234 HRUBMFUVSYYNCE-LLVKDONJSA-N 350.373 2.596 0 50 FFAA O=C(Cn1cccn1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 498793738 YFFXAGCMQYMALB-UHFFFAOYSA-N 367.280 2.577 0 50 FFAA N[C@@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1 163346870 FVJWGUWNBIQELS-KRWDZBQOSA-N 364.449 2.583 0 50 FFAA NCc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 832223768 VIAXWMPBLVBCPF-OAHLLOKOSA-N 357.841 2.786 0 50 FFAA CCOC(=O)Cn1nnc(-c2ccc(OCc3ccccc3C)cc2)n1 1119665 CZEQTQDNUSBYGZ-UHFFFAOYSA-N 352.394 2.791 0 50 FFAA NC(=O)NC[C@H]1CCN(c2ccc3cc(Br)c(F)cc3n2)C1 2325725115 JWKKOUOADPTHTK-SECBINFHSA-N 367.222 2.631 0 50 FFAA O=C(Nc1ccc2cnccc2c1)c1nnn([C@@H]2CCNC2)c1C(F)F 2325780032 BLPMZCVDWZJAIA-CYBMUJFWSA-N 358.352 2.551 0 50 FFAA CC(C)[C@@H]1NS(=O)(=O)N(Cc2ccc(C3CCCCC3)cc2)C1=O 2325816224 BWDPQRHTHYMZEV-KRWDZBQOSA-N 350.484 2.936 0 50 FFAA CC[C@@H]1[C@@H](C(=O)Nc2ncc(Br)c3cc[nH]c23)CCN1C 2325872777 MQGUSDMEHGKDPI-CMPLNLGQSA-N 351.248 2.994 0 50 FFAA NCc1ccc(-c2cccc(C(=O)N3CC[C@H](c4cc(O)n[nH]4)C3)c2)cc1 2325879195 LTPFHLRYDDHAOP-SFHVURJKSA-N 362.433 2.871 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NCc3nccc4c3CCCC4)C2)[C@@H]1C(C)C 922396624 YRQOIIADEOXTAD-YJMBLLCNSA-N 357.542 2.920 0 50 FFAA CC(C)n1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 626323 SGCNGVBHIBOYTC-UHFFFAOYSA-N 364.858 2.950 0 50 FFAA COc1ccc(OC)c([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 754303 IQTPIYGSTAUKJL-VQIMIIECSA-N 352.390 2.873 0 50 FFAA biogenic Cn1c(SCc2nc3ccccc3n2CC(N)=O)nc2ccccc21 867648 QNDCUXVMUPKVEH-UHFFFAOYSA-N 351.435 2.701 0 50 FFAA COC(=O)c1cccc(CN2CCc3nc(-c4ccccc4)nn3CC2)c1 2356156318 VYEPNIRTZMTRRP-UHFFFAOYSA-N 362.433 2.790 0 50 FFAA CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(C)=O 4813835 LCRFLZVUGZUMGT-UHFFFAOYSA-N 352.387 2.984 0 50 FFAA CC1(C)CC(=O)c2c(CC3CC(=O)NC(=O)C3)nn(-c3ccccc3)c2C1 6682014 SCYTZFFIFKSRON-UHFFFAOYSA-N 365.433 2.623 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)CC2=CSC3=NCCN23)C1 101773843 OWGRPYVAQQDIPF-SFHVURJKSA-N 363.483 2.686 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)CCSc1ccc2c(c1)OCCO2 55344479 ZPSKZKOZGHAGBZ-CQSZACIVSA-N 351.468 2.968 0 50 FFAA Cc1ncc2c(c1-c1noc(C3CC3)n1)CCN(c1ncnc3[nH]cnc13)C2 23214220 KCKCRCOJJJXRAQ-UHFFFAOYSA-N 374.408 2.546 0 50 FFAA CCc1nc(Cn2nc([C@H]3CCCNC3)n(-c3ccccc3)c2=O)cs1 67605537 PGAGPNRHVUBTLI-AWEZNQCLSA-N 369.494 2.568 0 50 FFAA COc1ccc([C@H](C)NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1 170624806 YGJMEMYZCKENSQ-LBPRGKRZSA-N 364.401 2.763 0 50 FFAA CC(C)n1ccnc1CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67909644 GYIFGQZSHHNNNM-UHFFFAOYSA-N 363.425 2.515 0 50 FFAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1393186 WAAHPRDFNUTCLD-VIFPVBQESA-N 358.630 2.885 0 50 FFAA CCn1cc(S(=O)(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)cn1 2804771 YWALTDYEOPFJDJ-UHFFFAOYSA-N 365.846 2.602 0 50 FFAA CCn1ccnc(N2CCC(NCc3cc4ccccc4o3)CC2)c1=O 328621174 AJGOKCWHTYXGBO-UHFFFAOYSA-N 352.438 2.768 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCCN(Cc3ccccc3)C2)cn1 328625158 CUWIRZBVVWWXCV-PCCBWWKXSA-N 354.498 2.894 0 50 FFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccncc1Cl 328641173 QKLCZUCQJCXEGQ-LBPRGKRZSA-N 350.875 2.752 0 50 FFAA CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc1 124159969 LDVNFTKWKIOVDC-KRWDZBQOSA-N 371.458 2.968 0 50 FFAA COc1ccccc1OCCN(Cc1cncnc1)[C@H]1CCCNCC1 435724857 YKGVETIFDSQRSA-SFHVURJKSA-N 356.470 2.508 0 50 FFAA O=C(c1cc(O)nc(C2CC2)c1)N1CCC[C@@H](Oc2ncccc2F)C1 330232505 RPHWLOBSXWDCBN-CQSZACIVSA-N 357.385 2.882 0 50 FFAA NC(=O)c1cc(N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccn1 484439497 AWOIYWZGQRQKMO-IAQYHMDHSA-N 351.328 2.512 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)o1 332105380 DNFLVELVGHRXMZ-CQSZACIVSA-N 368.842 2.667 0 50 FFAA O=C1NC[C@]2(CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)O1 72151925 UWURMCSCQOVCFS-MRXNPFEDSA-N 363.464 2.976 0 50 FFAA CCc1cccc(OC2CN(C(=O)c3ccc(C(C)C)n(C)c3=O)C2)c1 215774221 YSSSKQJFTVFHHK-UHFFFAOYSA-N 354.450 2.975 0 50 FFAA O=C(C[C@@H](O)c1cccc(F)c1)N1CCC(c2noc(C3CC3)n2)CC1 372071088 BVUMFPYAODWNRS-MRXNPFEDSA-N 359.401 2.916 0 50 FFAA C[C@H]1CN(CCCCNCc2c(Cl)nc3ccccn23)C[C@@H](C)O1 237608079 NAYRYFUOPYNRMS-GASCZTMLSA-N 350.894 2.967 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@H](c2nnc(CN(C)C)n2C)C1 72447249 IGSZLUCLICVYHZ-INIZCTEOSA-N 370.501 2.851 0 50 FFAA CC(C)C(=O)N1CCC(NC(=O)N2CC[C@H](Cc3ccccc3)C2)CC1 173920333 WFUQUOHHBFMAHO-GOSISDBHSA-N 357.498 2.908 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 71315450 RQNMSAGKWRTKNJ-CQSZACIVSA-N 366.396 2.924 0 50 FFAA Cn1nccc1COCC(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 284721311 FVUWGVBEIMTOBC-CQSZACIVSA-N 374.510 2.678 0 50 FFAA O=C(C(=O)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1)c1ccco1 220444771 FBHUFVBNAHEQMG-AWEZNQCLSA-N 351.362 2.919 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nn1 48460363 OKDMXJUGJSQUJX-UHFFFAOYSA-N 356.426 2.782 0 50 FFAA CN(C)CCCOc1ccccc1CN1CCN(c2ccccc2)C(=O)C1 82134487 IWRGPWXELDMLKF-UHFFFAOYSA-N 367.493 2.866 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)N(C)Cc1nccn1Cc1ccccc1 426544834 OHGRQNJTBHGUTF-GOSISDBHSA-N 366.469 2.748 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)n(C)n1 82107576 UZOHKJJSFCNYLN-INIZCTEOSA-N 355.486 2.660 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OCCOCC)C2 91288571 KLXDTHZKHJTFNL-DLBZAZTESA-N 374.481 2.575 0 50 FFAA CCc1cc(Cl)ccc1NC(=O)NC[C@H]1CCCN(S(C)(=O)=O)C1 426589838 WJXXNXRGYDCHMG-GFCCVEGCSA-N 373.906 2.696 0 50 FFAA CCCc1cnc(C)nc1-c1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1 426465265 POFNOSDUPRWMID-AWEZNQCLSA-N 364.453 2.815 0 50 FFAA CCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91459624 XZDGQVSFFQVKFU-SFHVURJKSA-N 372.509 2.885 0 50 FFAA COc1ccnc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 426548513 LSPZMMIBHFBAKJ-UHFFFAOYSA-N 366.465 2.853 0 50 FFAA COc1coc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1=O 426667417 NEQTYGGFEJCFFF-RYGJVYDSSA-N 363.454 2.587 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1n[nH]c3ccc(C)cc13)C2 95506931 WQBBGEGEONGBDW-CYBMUJFWSA-N 351.406 2.861 0 50 FFAA COc1cc(C)c(CN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cc1C 91737801 AMPIBZQRDHUOEU-UHFFFAOYSA-N 374.481 2.601 0 50 FFAA Cc1nc([C@@H]2CCCCn3nnnc32)n(Cc2c(F)cccc2Cl)n1 96132025 SEZPZCNJASBZHC-NSHDSACASA-N 361.812 2.730 0 50 FFAA CCc1cc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)nc(C)n1 92020785 KJAQXSHHWNCZFZ-UHFFFAOYSA-N 360.502 2.593 0 50 FFAA CC[C@H](O)Cn1nc(CCOC)nc1-c1ccc(N2CCCCC2)cc1 91757161 HGQSBOMBPJDSKX-SFHVURJKSA-N 358.486 2.895 0 50 FFAA O=C(c1ccnc(N2CC[C@H](c3ccc(F)cc3)C2)c1)N1CCOCC1 95525700 UCHCDEJANWJQEL-KRWDZBQOSA-N 355.413 2.687 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCc2ccc(N(C)C)cc2)C1(C)C 91469040 UIMVLGAXOVZPMA-PGRDOPGGSA-N 373.541 2.942 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]3NCCC[C@]3(CO)C2)c2cc(Cl)ccc2n1 96147808 IHDFCQPWVNPJJU-UYAOXDASSA-N 373.884 2.773 0 50 FFAA CCNc1ccnc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95528453 MIVLDFKACDRSKI-AWEZNQCLSA-N 369.498 2.994 0 50 FFAA COc1ccc(CCNCC(=O)c2ccc(NC(C)=O)cc2)cc1OC 96027717 XYWNVFAGPOKFBQ-UHFFFAOYSA-N 356.422 2.677 0 50 FFAA Cc1cn2c(=O)cc(CN3CCC[C@H](c4nc(C(C)C)no4)C3)nc2s1 244707897 KJPTYULCOGJAFN-ZDUSSCGKSA-N 373.482 2.950 0 50 FFAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)[C@@H](c1ccccc1)n1cnnn1 252486665 HODLLTGRJQPTLU-UYAOXDASSA-N 372.432 2.938 0 50 FFAA CN1CCN(C(=O)Nc2nnc(C3CCOCC3)s2)Cc2ccccc21 297372016 LHYDORACXXIJDF-UHFFFAOYSA-N 373.482 2.916 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183073997 SIJQXMRYGSXCIS-UHFFFAOYSA-N 367.375 2.912 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)[C@H]1CC=CCC1)CC2 299741843 GMYDEYVOPCBYEE-BBRMVZONSA-N 359.422 2.961 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cccc(N2CCCC2)c1C 299783696 XEKQKCNDMNFTAR-HKUYNNGSSA-N 360.502 2.824 0 50 FFAA COc1ccc(C(=O)Nc2cc(C)ccc2NC(=O)CN(C)C)c(F)c1 824630587 WTQSUKIWRBJFCD-UHFFFAOYSA-N 359.401 2.895 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1nc(-c2ccccc2)n[nH]1 823118476 SYBHPVQQFAURHK-SFHVURJKSA-N 361.449 2.535 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(=O)c3ccc(C)cc3o1)C2 824804944 XLBVPDYXHDTAAB-AWEZNQCLSA-N 365.385 2.844 0 50 FFAA CN(C)C(=O)C(C)(C)NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 584898975 OYZVZDALKRAOEF-UHFFFAOYSA-N 372.444 2.799 0 50 FFAA CN1CCC([C@H]2CCN(C(=O)NCc3ccccc3-n3ccnc3)C2)CC1 270285242 WBFSTEVPWBBRCX-IBGZPJMESA-N 367.497 2.746 0 50 FFAA COc1ccc([C@@H]2CCN(C(=O)c3ccnc(N4CC[C@H](C)C4)c3)C2)cn1 1875265699 YEXLPAKRLKLRLG-MAUKXSAKSA-N 366.465 2.961 0 50 FFAA Cc1nc(N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)ccc1Br 1875399217 RTDNQGRQHGWRMT-IACUBPJLSA-N 351.248 2.601 0 50 FFAA OC[C@H]1CN2CCC[C@H]2CN1Cc1csc(CCc2ccccc2)n1 880071717 IJRKZIUFXSWMSY-RBUKOAKNSA-N 357.523 2.569 0 50 FFAA O=C(c1ccc2n[nH]cc2c1)N1C[C@H](C[C@H]2COCCN2)c2ccccc21 1341258492 KOGLKBKCAXGATQ-IRXDYDNUSA-N 362.433 2.685 0 50 FFAA Cc1ccc(F)c(CN2CC[C@]3(O)CCN(C(=O)C4CCC4)C[C@@H]3C2)c1 1565509971 DOJXYDJNUPDDHS-RXVVDRJESA-N 360.473 2.720 0 50 FFAA C[C@]1(O)CCN(CCn2c(=O)oc3ccccc32)C[C@H]1Cc1ccccc1 1565507487 OZFNCNNFJYCBFW-GCJKJVERSA-N 366.461 2.910 0 50 FFAA Cc1csc2ncc(C(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)c(=O)n12 272099030 PLNKBHYOAXYJCN-AWEZNQCLSA-N 371.437 2.908 0 50 FFAA O=S(=O)(Cc1noc2ccccc12)N[C@@H]1CCN(CC2CCCC2)C1 185858312 DVXLCHRCBABXTO-OAHLLOKOSA-N 363.483 2.512 0 50 FFAA O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccn[nH]2)CN1c1ccc(Cl)cc1 278644810 ODOROOOTANHARL-BLLLJJGKSA-N 358.829 2.780 0 50 FFAA Cc1c(C(=O)N2CCCC2)cccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 170619290 UTCXOPQOMMHXDQ-DFEHZGFQSA-N 350.418 2.543 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccccc2)nc1 408513196 CNGQIAIVNAIVTI-SFHVURJKSA-N 359.385 2.795 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cnn2ccncc12 189109372 QFEZRGHOIQHIPN-ZDUSSCGKSA-N 355.829 2.782 0 50 FFAA CC(C)Cn1cnc(S(=O)(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 192270095 LMGAPTXPIRSAQD-WMZOPIPTSA-N 363.483 2.595 0 50 FFAA NC(=O)c1cccc(CNC(=O)N2CCC(COc3ccccc3)CC2)c1 193639731 PDSXRUXIEOCFPI-UHFFFAOYSA-N 367.449 2.786 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 1506402558 YYLBFFUNOHWSGP-CQSZACIVSA-N 367.428 2.972 0 50 FFAA Cc1cccnc1CC(=O)N1CCCN(C(=O)CCc2ccccc2)CC1 1529186421 YQFDWMACWPXCOQ-UHFFFAOYSA-N 365.477 2.626 0 50 FFAA CCCn1cc(C(=O)N2CCCN(CCc3ccc(O)cc3)CC2)c(C)n1 1529179904 GJLUVLUGNATVAQ-UHFFFAOYSA-N 370.497 2.698 0 50 FFAA c1ccc(CCN2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1704358255 HVPJKUCKIAQVAT-FYYLOGMGSA-N 365.521 2.936 0 50 FFAA C[C@@H](CCc1ccc(O)cc1)N1CCCN(C(=O)c2ccncc2)CC1 1775980697 HQYPTJXEKQOZNG-KRWDZBQOSA-N 353.466 2.956 0 50 FFAA Cc1ncc(CN2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)cn1 11958059 CSQNGVSPFGPHGS-OAQYLSRUSA-N 368.456 2.939 0 50 FFAA COc1cccc(CN2CCC[C@H](NC(=O)Cc3c(C)noc3C)C2)c1 12576210 OIERATOQPJDIEX-KRWDZBQOSA-N 357.454 2.623 0 50 FFAA CSCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 12590904 FZHLBDLVSPJSAQ-MRXNPFEDSA-N 358.467 2.555 0 50 FFAA CCNC(=O)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12744785 UPKBCDJMLMFYEF-OAHLLOKOSA-N 356.470 2.645 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cnsn2)C1 15074809 STMSRLWZLVLAPY-IBGZPJMESA-N 373.478 2.875 0 50 FFAA CCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 16651987 MOOWKXWIILZEAQ-UHFFFAOYSA-N 356.513 2.723 0 50 FFAA C[C@H]1CN(C(=O)Cc2cn(C)c3ccccc23)CCN1c1ccc(F)cn1 1857678267 LCNRFBMQHBGCSO-HNNXBMFYSA-N 366.440 2.992 0 50 FFAA CN(C)CCCNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695893 CRHZASNQRJQRON-ZDUSSCGKSA-N 364.877 2.766 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cnc1C 1857712953 OXFVFDJUXUIJTM-HSALFYBXSA-N 351.450 2.643 0 50 FFAA O[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]1Cc1cnccn1 1857736839 YOWJAPBUBJHCDW-RDTXWAMCSA-N 370.453 2.775 0 50 FFAA CC1CCN(C(=O)c2ccccc2NC(=O)COC[C@H]2CCOC2)CC1 117624001 UQSUNJSGYFAUJS-INIZCTEOSA-N 360.454 2.550 0 50 FFAA O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCCN(c2cccnn2)C1 123081215 ZRTWMIYLBYHYQH-OAHLLOKOSA-N 369.856 2.939 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3F)o2)CCO1 238051730 YMFUUIPFGFJOHT-AWEZNQCLSA-N 361.369 2.720 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2cccc(C(=O)O)c2)N2CCOCC2)s1 263437786 OZLRGFKPTLLYEW-INIZCTEOSA-N 374.462 2.558 0 50 FFAA O=S(=O)(C1CC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704326828 OMBIHVHDBMEPKX-HXUWFJFHSA-N 369.490 2.916 0 50 FFAA N[C@H]1CCc2cc(C(=O)N(Cc3cccs3)C3CC3)ccc2NC1=O 912332607 CMEOFOSAEAPSDV-INIZCTEOSA-N 355.463 2.765 0 50 FFAA Cc1c(C(=O)N2CC3(COc4ccccc4C3)C2)cnn1-c1ccccn1 2100539288 BAOKQECHSWBZLW-UHFFFAOYSA-N 360.417 2.653 0 50 FFAA C[C@H]1C[C@H]1c1noc(CC2CCN(Cc3nc4ccncc4n3C)CC2)n1 2325809261 VVVICALPWKWJFT-DZGCQCFKSA-N 366.469 2.929 0 50 FFAA O=C([C@@H]1CCn2nncc2C1)N1CCC[C@@H](c2ccc3c(c2)CCC3)C1 2325810890 MGZHWRVZGWKILQ-RTBURBONSA-N 350.466 2.735 0 50 FFAA CCCCC(=O)N(C)[C@@H](C)CCNC(=O)c1cccc2c1CCC(=O)N2 2325868147 QCJNYVHUPCTYLF-AWEZNQCLSA-N 359.470 2.728 0 50 FFAA COC(=O)c1sc(NC(=O)c2ccccc2OC)c(C(=O)OC)c1C 802360 DEEQGSXVFAZZFJ-UHFFFAOYSA-N 363.391 2.891 0 50 FFAA COc1ccccc1-n1c(SCC(=O)c2ccccc2)nc(O)cc1=O 1230478 WWXHYUIOWGLYEL-UHFFFAOYSA-N 368.414 2.922 0 50 FFAA COc1ccc(Nc2nc(N)nc(CSc3nccc(C)n3)n2)cc1 1242653 MDKSDVPAUWACQY-UHFFFAOYSA-N 355.427 2.597 0 50 FFAA CSc1nsc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 4294775 ZMWVRCPXBGXCSJ-UHFFFAOYSA-N 355.466 2.762 0 50 FFAA CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4833666 UTZIPSBCUXIRFO-QGZVFWFLSA-N 362.426 2.683 0 50 FFAA Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 6266728 IYZTXSZYWFZGHL-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CCc1nnc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 9320769 PZJBCVPVASKXPS-CYBMUJFWSA-N 372.450 2.750 0 50 FFAA C[C@@H](O)CNC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 23250838 XWUZRDLWSIWVAI-OAHLLOKOSA-N 365.433 2.757 0 50 FFAA CCNC(=O)COc1ccc(N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 248381978 VOIQIOIHYQTKIE-BZUAXINKSA-N 361.486 2.791 0 50 FFAA Cc1ccc2oc(CN3CCN(c4ccc(C(N)=O)cn4)CC3)c(C)c2c1 65425575 CMJVIIANVODELS-UHFFFAOYSA-N 364.449 2.866 0 50 FFAA CCN(CC)c1ncccc1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 67821356 KRNNKVVYLSHXAI-INIZCTEOSA-N 352.438 2.670 0 50 FFAA NCCCCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72417757 MRKFOBPGVFXNDG-QFIPXVFZSA-N 371.525 2.937 0 50 FFAA Cc1ccccc1SCC(=O)N1CCCN(C)C2(CCN(C)CC2)C1 67843063 PKBSKDNEXFSWST-UHFFFAOYSA-N 361.555 2.716 0 50 FFAA CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1 65363950 RZACZLGBFFMMIF-DLBZAZTESA-N 352.500 2.624 0 50 FFAA Cc1cnc(-c2nc3c([nH]2)C[C@@H](c2ccc(Cl)cc2)CNC3=O)cn1 65394058 HPIGKZIYABJFPK-GFCCVEGCSA-N 353.813 2.898 0 50 FFAA C[C@@]1(O)CCN(C(=O)Cn2ncc3ccccc32)C[C@@H]1Cc1ccccc1 67974303 VGNMNGMJLWSMBQ-SIKLNZKXSA-N 363.461 2.879 0 50 FFAA CC1=NO[C@](C)(C(=O)NCc2cccnc2N(C)Cc2ccccc2)C1 67934050 HBAIXGHUPNZNKV-FQEVSTJZSA-N 352.438 2.889 0 50 FFAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1SCCO 229716368 YGGQIPCLDWQMOG-OAGGEKHMSA-N 350.528 2.867 0 50 FFAA CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)CC2(C(=O)OC)CCC2)s1 253429962 VWNVJQJQALCPEZ-LBPRGKRZSA-N 374.528 2.680 0 50 FFAA CCCc1nc(C)cc(N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)n1 72174013 RUYSRRDSMPQZED-UXHICEINSA-N 352.482 2.650 0 50 FFAA C[C@H]1CN(C(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CCN1 155001020 CTPMOFUKUPAETL-LBPRGKRZSA-N 371.441 2.569 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)Cc1ccc(NC(=O)C3CC3)cc1)CC2 173616267 JMVSAGHTCJSACZ-UHFFFAOYSA-N 364.449 2.515 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCN3CCCCCC3=O)C2)c1 77438631 APYNXIDOKZTJHH-INIZCTEOSA-N 374.481 2.812 0 50 FFAA Cc1ccc(OCc2occc2C(=O)N2CCC3(CC2)CNC(=O)C3)cc1 77436500 MGDDGFAUYQRIBM-UHFFFAOYSA-N 368.433 2.909 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1c1ncon1 331746988 XVYUBKHLCTWHLH-BXKDBHETSA-N 372.208 2.744 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H]2CC[C@H](C1)N2C 72418658 WDPBADCATRQZFF-PKOBYXMFSA-N 352.482 2.727 0 50 FFAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC(c4ccncc4)C3)cc2n1 72163754 BXIGEYWILPWSPG-UHFFFAOYSA-N 361.327 2.691 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 215473519 SSPIKKVALSOPCX-UHFFFAOYSA-N 352.431 2.599 0 50 FFAA O=C(O)c1cccc(C(=O)N2CCC(OCCc3ccccc3)CC2)n1 262073576 FWHUSDPKMLXPEB-UHFFFAOYSA-N 354.406 2.644 0 50 FFAA COC(=O)C[C@H](C)N1CCN(C(=O)c2cc3ccc(C)cc3nc2C)CC1 174375425 QFJYFLBLOFFGBH-HNNXBMFYSA-N 369.465 2.561 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cncc(Cl)c1 218889240 OEANUPDVKFQLMD-PVCYVWKFSA-N 358.825 2.912 0 50 FFAA O=C1CC[C@H]2CN(c3ccnc4ccccc34)CC[C@H]2N1CCCCO 72427938 UGWJOUFFHVNNOU-QFBILLFUSA-N 353.466 2.825 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccn1)C[C@@H]1CCC(=O)N1 214957301 JKGOOUVVGMVGRW-HNNXBMFYSA-N 372.494 2.891 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccc(C)o3)n[nH]1)C2 219325440 INJQYVPJHGBYAY-QGZVFWFLSA-N 369.425 2.664 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1 237952831 VYDRSUBYBXGVTK-CABCVRRESA-N 374.343 2.723 0 50 FFAA CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 286000080 YYTKLYYUUGTOOD-FZKQIMNGSA-N 374.510 2.882 0 50 FFAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc(C(F)(F)F)cc1 223199739 LKMGXEIWEWPALG-QKPAOTATSA-N 354.372 2.687 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@@H](c3ccc4c(c3)OCO4)N(C)C)C2)c1 223075344 BUZOCFGCLKWDGH-HXUWFJFHSA-N 368.433 2.616 0 50 FFAA O=C(NCc1cccc(-c2nnn[nH]2)c1)c1csc(-c2cccs2)n1 82137337 LZHFLZFYYWIKEU-UHFFFAOYSA-N 368.447 2.982 0 50 FFAA O=C(Cn1nc2ccccc2n1)NCCCc1nc2cc(Cl)ccc2[nH]1 220307219 SNCCBYBLLTXVKX-UHFFFAOYSA-N 368.828 2.710 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)NCc1noc(C2CCCC2)n1 426386367 PPEDKLRWHPGFNR-UHFFFAOYSA-N 368.441 2.956 0 50 FFAA O=C(NC[C@H]1CCOC1)c1ccc(-c2ccc(C(=O)N3CCCC3)o2)cc1 426690771 XHLDANBQTFOFNH-OAHLLOKOSA-N 368.433 2.949 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 222778438 DVZVXSYXGDVWEQ-IEBWSBKVSA-N 363.502 2.806 0 50 FFAA CCn1nc(C)c(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)c1C 82156686 UFMQIKXAWMBQOW-UHFFFAOYSA-N 372.517 2.508 0 50 FFAA Cc1cc(NC(=O)CN2CCOCC23CCC3)n(-c2ccccc2F)n1 178480313 DTQXOORVUJVJLC-UHFFFAOYSA-N 358.417 2.513 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(CO)cc1 220025726 BZXBLQKGFVYWRV-CNBHCMJISA-N 362.429 2.969 0 50 FFAA C[C@]1(NC(=O)Nc2ccc(CCc3ccccn3)cc2)CCS(=O)(=O)C1 426707478 SOFHZDCMGNCTIP-IBGZPJMESA-N 373.478 2.566 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)on1 426574714 KZXABNIIBKXLEC-AWEZNQCLSA-N 369.425 2.851 0 50 FFAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3cccnc3)C2)c(OC)c1C 92037557 CVGZEGVWGSLBLD-DLBZAZTESA-N 356.422 2.707 0 50 FFAA Cc1ccnc([C@@H](C2CC2)n2cc(Cn3c(=O)oc4ccccc43)nn2)c1 91737305 RLMHTJDTQBJTML-LJQANCHMSA-N 361.405 2.937 0 50 FFAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 97062834 LATQVWCYMOGPKT-VBNZEHGJSA-N 358.413 2.669 0 50 FFAA COCCN(Cc1nccs1)C(=O)c1cc(-c2ccccc2F)n[nH]1 91951968 VPLGCQYSHPMOAG-UHFFFAOYSA-N 360.414 2.961 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@H]1CC(=O)N(Cc2ccncc2)C1 95375181 FDPRWEYUCGOKEL-KRWDZBQOSA-N 365.458 2.961 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC[C@]2(CCOC2)C1 91665358 DVMISFCWYDGWHC-SFHVURJKSA-N 351.830 2.683 0 50 FFAA CC(C)Cc1nc(CNC(=O)N2CCC[C@@H](OCc3ccccn3)C2)no1 426535436 IWUZUEITPBDMCM-MRXNPFEDSA-N 373.457 2.554 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CCC3)C2)cn1 95367181 MIDZIIUAKRACKB-INIZCTEOSA-N 368.485 2.925 0 50 FFAA CC(C)Oc1cccc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c1 95371824 VHXJAUFBYCXIBE-HXUWFJFHSA-N 369.465 2.812 0 50 FFAA CC(C)c1cc(C(=O)N(C)Cc2ccc3nsnc3c2)nc2ncnn12 92028272 XNUVAEWKJNIWLO-UHFFFAOYSA-N 367.438 2.525 0 50 FFAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccc(Cl)o3)C2)CC1 95503569 GDGSUAUCFMPEBC-OAHLLOKOSA-N 353.894 2.699 0 50 FFAA CC1(C)C[C@](CCNC(=O)Cn2ccccc2=O)(c2ccccc2)CCO1 426716112 PGCRVUBXANYVSH-JOCHJYFZSA-N 368.477 2.882 0 50 FFAA Cc1ccc(C)c(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 95375827 MTUNGMXZPPFFSF-IFMALSPDSA-N 356.510 2.889 0 50 FFAA CCCc1nc(C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)O)cs1 95509244 QLUZVRCVWDRWIU-LLVKDONJSA-N 372.368 2.939 0 50 FFAA CN(C)Cc1ccc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)o1 97743627 GRENBXUZAFPRCY-GOSISDBHSA-N 356.470 2.693 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3nc4ccccc4c(=O)[nH]3)[nH]n2)s1 91846036 CLNJRNXUNACTQG-UHFFFAOYSA-N 365.418 2.613 0 50 FFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 91270659 UFVAIZVWWCNDTF-LLVKDONJSA-N 362.861 2.822 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Oc1ccc2ccccc2c1 247750873 VSMCAPIFBFQRAZ-ZOCXKQACSA-N 373.408 2.798 0 50 FFAA CN(C1CCCCC1)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 182543238 COBBBBHCIUZVPN-UHFFFAOYSA-N 352.378 2.976 0 50 FFAA Cc1csc(CCCNC(=O)c2ccc(CSc3nnc[nH]3)o2)n1 243932331 BVBDBUTYNBYFPG-UHFFFAOYSA-N 363.468 2.818 0 50 FFAA Cc1nc(NCC2(N3CCOCC3)CCCCCC2)cc([C@H]2C[C@@H](O)C2)n1 244712738 KWBUQUVVYIVKQP-HDICACEKSA-N 374.529 2.860 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCN2CCC[C@H]2C1 299787819 RCGBJJGNCOJIEZ-HNNXBMFYSA-N 359.861 2.897 0 50 FFAA CCn1c(CNC(=O)[C@@H]2CC(=O)OC23CCCCC3)nc2ccccc21 299787219 SDOUZFQXKMOCCT-AWEZNQCLSA-N 355.438 2.938 0 50 FFAA Cc1cc2nc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc(C)n2n1 299772241 SYKXMFXHRGXAJG-UHFFFAOYSA-N 363.465 2.872 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1n[nH]c3ncccc13)CC2 299758987 GIMMPVRXECCXLS-MOXGXCLJSA-N 356.470 2.897 0 50 FFAA O=C(NC1(C(=O)O)CCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 827969376 DOPLKYJMOVRLPV-CQSZACIVSA-N 352.818 2.820 0 50 FFAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1cnc(Nc2ccccc2)nc1 828199693 NTSBFSVPYSYUJV-UHFFFAOYSA-N 360.377 2.732 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)CC1=CSC2=NCCCN12 821793944 STNMQESKBIXBDZ-HNNXBMFYSA-N 370.522 2.589 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 748014215 JXZZCRPTTNNDJW-SNVBAGLBSA-N 367.496 2.778 0 50 FFAA CC(C)=CCN1CCC(N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)CC1 1875398681 BEWFSHIUGUMXQS-KFKAGJAMSA-N 366.937 2.696 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1875376748 HFFMBHIJDUAZPM-VEGGFIAOSA-N 373.497 2.582 0 50 FFAA Cc1cc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)nc(C)n1 952969714 COLNCWYOBHZOMD-SECBINFHSA-N 355.364 2.683 0 50 FFAA CC(=O)N1C[C@H](Nc2cc(NCC3CC3)ncn2)CC[C@H]1C(F)(F)F 886027805 XAXZZMHKGVZPCQ-OLZOCXBDSA-N 357.380 2.652 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](C(=O)NC1CC1)c1ccccc1 275595508 QAWMKLOBWWZUJE-PWIZWCRZSA-N 368.481 2.590 0 50 FFAA Cc1nc(C(=O)NS(=O)(=O)c2cc(Cl)c3c(c2)C[C@H](C)O3)cs1 170628847 QAMRDNDOFKPPED-ZETCQYMHSA-N 372.855 2.547 0 50 FFAA CN(C)C(=O)Cc1ccc(NC(=O)NC[Si](C)(C)c2ccccc2)cc1 170609691 HSTLMPBEEYHTSU-UHFFFAOYSA-N 369.541 2.594 0 50 FFAA Cc1ccc(C2(C(=O)NCc3nc4cccnc4[nH]3)CCOCC2)cc1 194220342 CYZUDAIHINUYTH-UHFFFAOYSA-N 350.422 2.631 0 50 FFAA O=C(c1ccncc1)N1CCC(NCCc2nc3c(s2)CCCC3)CC1 1506406665 QXEJESREETWLDY-UHFFFAOYSA-N 370.522 2.854 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN(CCO)Cc2[nH]cnc2C)n1 1704313844 KVBSUVZREXUWCW-UHFFFAOYSA-N 357.433 2.654 0 50 FFAA CC[C@@H]1CN(C(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)CC[C@]1(C)O 213176454 HUSFCLIRVJXWSB-BZNIZROVSA-N 370.375 2.680 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1 1615691637 VFLPMYKSAZMJAM-RBZFPXEDSA-N 353.422 2.679 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(c2ccnc(O)c2)CC1 1772805577 PJSFCMYRXFBTCH-HNNXBMFYSA-N 351.450 2.944 0 50 FFAA CCSc1nnc([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)n1C 12024053 FVJKTALSQHFGHO-GFCCVEGCSA-N 373.482 2.545 0 50 FFAA Cc1ncc(CN2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 12385856 XGESCXZFXPQMLC-IBGZPJMESA-N 362.437 2.574 0 50 FFAA CCN(CC)C(=O)C1CCN(Cc2nc(Cc3ccccc3F)no2)CC1 12465617 AYWYMWZGDHRGLS-UHFFFAOYSA-N 374.460 2.880 0 50 FFAA CC(C)Oc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)cc1CO 12718540 NMSRRSZHACJOJI-SFHVURJKSA-N 356.470 2.515 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2sccc2C)n2nnnc2N1 13125252 ROOLJGKSYOTAGD-AWEZNQCLSA-N 352.423 2.971 0 50 FFAA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccon2)CC1 14954586 TXBQCABVZGDXMU-UHFFFAOYSA-N 365.437 2.889 0 50 FFAA CC[C@@H](C)NC(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 19842022 GMKPDTMLHNHWRH-MRXNPFEDSA-N 356.470 2.521 0 50 FFAA Cc1cc(C)cc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c1 19848485 QCJIJKWFNCOLHC-NRFANRHFSA-N 354.494 2.861 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)N1CCOCC1 19849898 CFARFXUMTWQPCG-TZIWHRDSSA-N 350.418 2.785 0 50 FFAA Cc1ccnc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857700355 FXWOEKNJFIFYDM-OAQYLSRUSA-N 374.448 2.827 0 50 FFAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857706065 ITQWQGSZMIMXNS-BMGDILEWSA-N 353.422 2.970 0 50 FFAA COc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1O 216421397 ZHXMHPSUVHPTCP-SJORKVTESA-N 367.449 2.532 0 50 FFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)[C@H]1CCc2nncn2C1 329179429 NKUPKQOUIKUXPJ-VYDXJSESSA-N 354.454 2.849 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1cc(Br)ccc1Cl 237435222 AXEYRCYSEHSKEN-PSASIEDQSA-N 367.696 2.603 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CCNCC1 237762934 CZFRYFGHRVAGSM-INIZCTEOSA-N 353.869 2.559 0 50 FFAA CCOc1cccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 457126241 ZTLHSJFWJGYASG-ZDUSSCGKSA-N 359.451 2.529 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)C1 136155730 MWZKSTHKWCRTJO-GFCCVEGCSA-N 374.828 2.735 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3CCc4cc(C)ccc43)cc21 265166767 AKAKUFFIRKBGDI-LJQANCHMSA-N 370.474 2.870 0 50 FFAA C[C@@H](OC1CCCCCC1)C(=O)NS(=O)(=O)Cc1ccc(Cl)nc1 163752024 ZKVPMQMTJQUUEC-GFCCVEGCSA-N 374.890 2.809 0 50 FFAA O=C([C@@H]1CCCN(c2ccccn2)C1)N1CC2(COc3ccccc3C2)C1 2100555620 ZHJRAOCRGVBMRF-GOSISDBHSA-N 363.461 2.762 0 50 FFAA N[C@@H](c1cn(Cc2ccn(-c3ccccc3Cl)n2)nn1)C1CCOCC1 2325798041 JBWMZGYGMIPTJC-GOSISDBHSA-N 372.860 2.592 0 50 FFAA CC(C)C[C@@H](C(=O)N1CCC(C(=O)O)(C(=O)O)C1)c1ccc(Cl)cc1 2325802871 BYWLWRBRPKLGCQ-CQSZACIVSA-N 367.829 2.858 0 50 FFAA CCn1ncc2cc(C(=O)N3CC4(CCNCC4)c4ccccc43)cnc21 2325824148 QYLFURUZTAWUAG-UHFFFAOYSA-N 361.449 2.733 0 50 FFAA CN(CC1CCN(C(=O)C=C2CCC2)CC1)C(=O)CCNc1ccccn1 2325824839 SNQBVFJANDUSHN-UHFFFAOYSA-N 370.497 2.691 0 50 FFAA C[C@H](CN(C)C(=O)C[C@H](c1ccccc1)C1CC1)NC(=O)c1cnc[nH]1 2325874751 ZVCYUCPOBXHWIU-RHSMWYFYSA-N 354.454 2.570 0 50 FFAA CCOc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(=O)NC 1015459 CJDHFOOKNYRADU-QGZVFWFLSA-N 355.463 2.777 0 50 FFAA CCn1cc(C(=O)OCC(=O)c2ccccc2)c(=O)c2ccc(C)nc21 1155286 JGJYPRPWIFJOCT-UHFFFAOYSA-N 350.374 2.765 0 50 FFAA CCOc1ccc2nc(CN(C)[C@@H]3C[C@@H]4CNC(=O)C[C@@H]4C3)ccc2c1 2356135512 HUUFASQXSOTARX-JZXOWHBKSA-N 353.466 2.980 0 50 FFAA CC(C)c1nc(-c2ccc(C(=O)N3CCC[C@]34CCCNC4=O)cc2)no1 2356161530 YZOWYSBLLMYDQD-FQEVSTJZSA-N 368.437 2.745 0 50 FFAA CCc1ccc(CN(C)C(=O)c2ccc(CSc3ncn[nH]3)o2)nc1 55271307 KXTTXIXSLKXGAD-UHFFFAOYSA-N 357.439 2.920 0 50 FFAA Cc1cnn([C@@H](C)CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)c1 67754576 NVJDSFAEAXUKGZ-INIZCTEOSA-N 367.453 2.803 0 50 FFAA CCn1c(CN2CCC(n3cc([C@H](C)O)nn3)CC2)nc2ccccc21 23251272 DKHNCQSLXPUQJS-AWEZNQCLSA-N 354.458 2.538 0 50 FFAA COc1ccc(-n2ccnc2[C@@H]2CC(=O)NCc3nc4ccccn4c32)cc1 65458709 BYZCAPZQLYPSSW-MRXNPFEDSA-N 373.416 2.680 0 50 FFAA COc1ccc(-c2nc(CN3CCC[C@@H](C(N)=O)C3)c(C)o2)c(OC)c1C 67641795 NFDVUYRDSSVPMT-CQSZACIVSA-N 373.453 2.673 0 50 FFAA CC[C@@H](Oc1ccccc1)c1nn2c(CN3CCOCC3)nnc2s1 67603678 GMLVKLXATQPUQQ-CQSZACIVSA-N 359.455 2.548 0 50 FFAA CC(=O)N(C[C@H]1CCCN1C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 252482955 DRBMWJGUDAXDQG-WIYYLYMNSA-N 369.509 2.624 0 50 FFAA Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c2cccnc12 252452690 WNIGDLLABLACMP-HZPDHXFCSA-N 368.481 2.861 0 50 FFAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(CC(=O)O)cc1 2564745 MKGDXEWWFUGOEK-INIZCTEOSA-N 365.426 2.906 0 50 FFAA COCCc1noc([C@H]2CCCCN2Cc2cn(-c3ccccc3)nn2)n1 72132017 WVIUYSLRMWVSJB-QGZVFWFLSA-N 368.441 2.566 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2CCC[C@@](O)(CO)CC2)c1 72152812 SXKOZECPEASRCA-NRFANRHFSA-N 355.434 2.712 0 50 FFAA Cc1ccc(N2CC[C@H](N3CCCN(CC(F)(F)F)CC3)C2=O)cc1 121768427 FVAJVKVKJHKQJH-INIZCTEOSA-N 355.404 2.670 0 50 FFAA C[C@H](C1CCN(C(=O)CCCOc2ccccc2)CC1)N1CCOCC1 72468898 MCCHONGXZPZTJM-GOSISDBHSA-N 360.498 2.805 0 50 FFAA CCc1nnc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)o1 72431286 GEIVNPVSBZWOFT-ZWKOTPCHSA-N 368.481 2.688 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)NC[C@H](O)c2cccc(F)c2)cc1 152126298 JVFFUPGFEIUQQG-KRWDZBQOSA-N 355.369 2.688 0 50 FFAA C[C@@H](OCC1CC1)C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328626806 FKJPNYZDDQKGMK-WBVHZDCISA-N 360.502 2.756 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCn1c(=O)[nH]c2ccccc21 216300654 BIQKZOSRUNOGDS-INIZCTEOSA-N 354.410 2.688 0 50 FFAA O=C(NCCF)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71479451 KWMJWCZHLSPQTH-HNNXBMFYSA-N 374.460 2.594 0 50 FFAA Cc1cc(N2CCN(C(=O)Cc3cnc4c(C)cccn34)CC2)cc(C)n1 77407440 PZKYRBVOADQTEY-UHFFFAOYSA-N 363.465 2.546 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)CCc2ccccc2F)cn1 218925445 HAMICSOSINSPJM-MOPGFXCFSA-N 358.413 2.814 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2ocnc2C2CC2)n1C 377608168 QOZNTWAPWAKPHS-CQSZACIVSA-N 356.426 2.618 0 50 FFAA NC(=O)NCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71759068 QKMLWMRXSKLIBY-LBPRGKRZSA-N 357.376 2.545 0 50 FFAA C[C@H](Oc1ncccc1C(=O)Nc1ccc2c(c1)C(=O)NC2)C(F)(F)F 241588130 OZXAXJWJBARXNT-VIFPVBQESA-N 365.311 2.907 0 50 FFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC(C(=O)O)CC1 237645574 DESWYNDPBVWLDQ-JTQLQIEISA-N 356.216 2.540 0 50 FFAA COc1ccccc1/C=C/CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 285648823 XPEDQVQWRKPNFF-ZGBFETHSSA-N 356.470 2.864 0 50 FFAA Cc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@@H](C)n2cccc2)CC1 72419846 WGEUQGLHJPIMDC-MRXNPFEDSA-N 356.422 2.882 0 50 FFAA CCCCc1cn(C[C@@H]2CCCN(C(=O)c3[nH]nc(CC)c3C)C2)nn1 48482797 QVYTYBAPLQXGPN-OAHLLOKOSA-N 358.490 2.767 0 50 FFAA O=C(CCN1CCCCCC1=O)NC[C@H]1CCN(c2ccccc2F)C1 223258626 AKOKIWPIVQIITF-MRXNPFEDSA-N 361.461 2.561 0 50 FFAA C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 263366840 WJBKBKIMDBHUQW-YMXBGEKHSA-N 359.447 2.884 0 50 FFAA COc1cccc([C@H]2CN(C(=O)Cc3ccc(C(=O)O)cc3)CCO2)c1 263526607 KFNKRDGIEQYTKT-GOSISDBHSA-N 355.390 2.536 0 50 FFAA CCC[C@@]1(CO)CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)C1 290592553 KCTNKTJFKWJXOB-OAQYLSRUSA-N 358.482 2.550 0 50 FFAA Cc1cc(C)nc(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 426534451 MJRZFPSIPULXPR-RMKNXTFCSA-N 365.481 2.634 0 50 FFAA Cc1nc(CNC(=O)N2CCCN(C3Cc4ccccc4C3)CC2)cs1 426507851 JNYDADKVWFKRFP-UHFFFAOYSA-N 370.522 2.836 0 50 FFAA Cc1cccc(OC2CCN(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 426658153 BAYJGOWSDFOJMK-INIZCTEOSA-N 371.481 2.559 0 50 FFAA CO[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1)c1ccccc1 82133666 LSGQZBMSGNFOAH-GOSISDBHSA-N 358.825 2.903 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1ccc3nsnc3c1)C2 95516594 HORWQRILRXLOCP-AWEZNQCLSA-N 369.446 2.910 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1ccccc1)C2 91876625 QFKFPHXYTGYDQD-FUHWJXTLSA-N 370.474 2.612 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3nnc(CN4CCCC4)n3C)CC2)s1 96163828 NPLDJJMYILDUMI-UHFFFAOYSA-N 373.526 2.801 0 50 FFAA O=C1C[C@@H](C(=O)NCc2cc(-c3cccnc3)no2)c2cc(F)ccc2N1 92081462 VSRBJBYPXZPIDW-OAHLLOKOSA-N 366.352 2.618 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCc1cc(Cl)no1)C2 91644446 KGZGDWDKROXUCA-LLVKDONJSA-N 350.802 2.637 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(C)o2)CC1 91621542 OVFQMNSKBYCNFX-UHFFFAOYSA-N 354.458 2.824 0 50 FFAA CCc1cc(CNC(=O)N2CCN(c3nsc4ccccc34)CC2)on1 426440206 BXPHBMWYCQRWEW-UHFFFAOYSA-N 371.466 2.879 0 50 FFAA Cc1nc2cc(C(=O)NC3CCN(C4CCSCC4)CC3)ccc2[nH]1 97499590 NBVFZULAXOJLRV-UHFFFAOYSA-N 358.511 2.961 0 50 FFAA COc1ccc(F)cc1C(=O)N[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1C1CC1 95365407 YSUVERQSCGYMLF-CVEARBPZSA-N 362.445 2.847 0 50 FFAA CC(C)Cc1cc(CN2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)n[nH]1 91713307 LCSIEWRMDGFSJV-OAQYLSRUSA-N 374.529 2.602 0 50 FFAA COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cncn2C2CCCC2)C1=O 95387510 YUAXMKLQJGUZEK-SFHVURJKSA-N 369.421 2.856 0 50 FFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2 91914962 HQHJHZCQYANYQR-NVXWUHKLSA-N 365.481 2.672 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)OCc1ccccc1)C2 91288788 HOEBDXRQIFIFJA-ZWKOTPCHSA-N 354.454 2.951 0 50 FFAA CN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)C3CC3)CC2)CC1 95506082 ZMRSXHDNEMJNEU-UHFFFAOYSA-N 370.541 2.626 0 50 FFAA CCn1ccc2c(CN3CCC4(CC3)[C@H](C(=O)O)CC(=O)N4C)cccc21 95367961 ZDZDBYBXSNCUFV-KRWDZBQOSA-N 369.465 2.559 0 50 FFAA COc1cccc(-c2cc(C(=O)NCCNc3ncccc3C)n[nH]2)c1 91769619 OBVPVFAKVQRYEP-UHFFFAOYSA-N 351.410 2.631 0 50 FFAA O=C(c1ccc(-n2cccn2)cc1)N1CCCO[C@H](CN2CCCCC2)C1 244741929 NZGKOMCNECGXPD-HXUWFJFHSA-N 368.481 2.589 0 50 FFAA O=C(c1noc2c1CCCCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299745850 SWCGIEGTSHSTKG-AWEZNQCLSA-N 355.442 2.717 0 50 FFAA CC(C)Nc1ccc(-c2ccc(C(=O)NCc3cnn(C)c3)cc2)nn1 534659079 NITGOAOBLDTCFG-UHFFFAOYSA-N 350.426 2.627 0 50 FFAA CCCc1ccc([C@@H](C)NC(=O)N2CCCN(C(=O)COC)CC2)cc1 534657571 NOCSKRBDBKDTDB-MRXNPFEDSA-N 361.486 2.590 0 50 FFAA CC[C@@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)N1CCCCC1 534646463 ZSKILQDDLOAWQD-INIZCTEOSA-N 361.486 2.732 0 50 FFAA Cc1nn(CCCNC(=O)c2cccc(-n3cnnc3)c2)c(C)c1Cl 91829117 NPMDINQIUWQDCM-UHFFFAOYSA-N 358.833 2.554 0 50 FFAA O=C(NCCCN1CCC[C@@H](O)C1)Nc1cc(F)cc(C(F)(F)F)c1 299755354 HVAUXCWHPBGBAE-CQSZACIVSA-N 363.355 2.813 0 50 FFAA CCn1ccc2cc(C(=O)N3CCN(C4CCN(C)CC4)CC3)ccc21 299770107 ZJJURGRNBYNYPD-UHFFFAOYSA-N 354.498 2.513 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 827695979 HCUOPFPJTXHIAO-INIZCTEOSA-N 354.454 2.521 0 50 FFAA COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(OC)n1 824845819 PFDMOFAPECKKFQ-UHFFFAOYSA-N 371.437 2.824 0 50 FFAA CC1(C2CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC2)OCCO1 268051938 VYCSMIQEGTVDDX-LJQANCHMSA-N 358.482 2.653 0 50 FFAA Fc1ccc(OCCN2CCc3cncnc3CC2)c(Br)c1 1875313361 LJDBAYGFRIWGOR-UHFFFAOYSA-N 366.234 2.858 0 50 FFAA C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]nc2-c2cccs2)C1 1875344548 HWZCBGCJLKZBKI-PZROIBLQSA-N 358.467 2.515 0 50 FFAA CCOC(=O)c1sc2[nH]c(Cc3cccc4c3OCO4)nc(=O)c2c1C 1875339860 ARPQLWPWDOIZJR-UHFFFAOYSA-N 372.402 2.789 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cc3c(OC)cc(Cl)cc3[nH]2)[C@@H](C)C1 1875380880 CTUGGUAGLFGMOM-NSHDSACASA-N 361.829 2.689 0 50 FFAA Cc1c(NC(=O)[C@@H](c2cccnc2)N2CCCC2)cccc1C(=O)N(C)C 952872194 KCAXHVDRWUURML-LJQANCHMSA-N 366.465 2.867 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CCc1scnc1C 952976133 YXYHUIQFMUONAA-UHFFFAOYSA-N 360.888 2.977 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)OCc1ccccc1 1565531084 JHVHOHZSVDISEZ-MSOLQXFVSA-N 365.433 2.955 0 50 FFAA C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(O)nc3ccccc23)CC1 185784441 PFBCWALIQBSLBA-ZDUSSCGKSA-N 368.462 2.916 0 50 FFAA Cc1cc(C)n(CC(=O)NCCc2nc(C3CCCCC3)cs2)c(=O)n1 274152019 COMCCFVSWTVSIZ-UHFFFAOYSA-N 374.510 2.723 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 170604556 UFIIRXIIZCPHEX-CVEARBPZSA-N 364.490 2.652 0 50 FFAA CCc1nc(C2CCN([C@H](C)c3nc(-c4cccnc4)no3)CC2)n[nH]1 190663486 WGGXTXNSXSXRGC-GFCCVEGCSA-N 353.430 2.753 0 50 FFAA Cc1ccccc1Cc1nnn(Cc2nnc(-c3cccc(F)c3)o2)n1 771883809 CGUXICRJBYSAJS-UHFFFAOYSA-N 350.357 2.810 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)c1 1506396162 HHNOPZZXQNNUGP-INIZCTEOSA-N 352.438 2.912 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nn(C)c4cccc(Cl)c34)C[C@@H]2O)on1 1529125537 OJHVSVRSAMTJJZ-PXAZEXFGSA-N 360.845 2.559 0 50 FFAA CCc1cc(N[C@@H]2COC[C@H]2Cc2ccncc2)nc(N2CCCC2)n1 1704299109 NPWURLLGUSECNJ-SJLPKXTDSA-N 353.470 2.704 0 50 FFAA CCCc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n[nH]1 1704345260 VEXSOYSPSMBLMY-QRWLVFNGSA-N 364.449 2.898 0 50 FFAA O=C(c1ccccc1)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704358382 JLEVJHXMMDYCKY-CTNGQTDRSA-N 365.477 2.534 0 50 FFAA CCCc1nc(C(=O)N2CCCN(C[C@@H]3CCCOC3)CC2)cs1 1772708465 BLUJIEZCRPHYPO-HNNXBMFYSA-N 351.516 2.670 0 50 FFAA CC[C@@H](C(=O)N1CCCN(C(=O)Nc2ccc(F)cc2)CC1)n1cccn1 1775983319 KEPRFQGHHHQNSA-KRWDZBQOSA-N 373.432 2.740 0 50 FFAA O=C(NC[C@H]1Cc2cc(Cl)cc(-c3cnccn3)c2O1)C1CCOCC1 12133367 KSWJFPRSLVGKBR-OAHLLOKOSA-N 373.840 2.643 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)no1 12470649 LUSUNLSWXINJLB-CYBMUJFWSA-N 359.401 2.658 0 50 FFAA CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 13944113 UNBXBXDVSIZRSD-DOTOQJQBSA-N 357.454 2.789 0 50 FFAA O=C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CCN1CC1CC1 15006107 XGAMKYXRFFRTMU-UHFFFAOYSA-N 355.482 2.761 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@@H](N)Cc1ccccc1)CC2 1857674226 YXXIDEKXGAZDLY-FQEVSTJZSA-N 374.488 2.584 0 50 FFAA O=C(O)[C@H]1CC[C@@H](C(=O)NC2CCN(Cc3ccccc3Cl)CC2)C1 247424196 RZQPPZKDXMPQMN-KGLIPLIRSA-N 364.873 2.922 0 50 FFAA O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1 151086110 VAZPOTJURGQWAP-STQMWFEESA-N 360.820 2.721 0 50 FFAA Cn1cc(Oc2ccccc2C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cn1 367336909 OOGHZEBYKVUDFZ-CQSZACIVSA-N 351.410 2.955 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3ccc4c(c3)CCO4)C1)CC2 1704330362 BOEWIOVFXPCJOK-JOCHJYFZSA-N 364.493 2.958 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2Cl)C[C@H]1O 1704333656 BWHBQNWTABJRJX-OIBJUYFYSA-N 352.601 2.554 0 50 FFAA Cc1nccn1CCC(=O)N=c1nc(SCc2ccccc2)s[nH]1 2100478290 ZAOYSSUTZUICGP-UHFFFAOYSA-N 359.480 2.786 0 50 FFAA CNC(=O)Cc1cnc(NC(=O)Cc2nc(-c3ccccc3)oc2C)s1 2100557338 ZSNYYIYCLYZEFS-UHFFFAOYSA-N 370.434 2.576 0 50 FFAA CC(C)(C)c1nccc(CCCNC(=O)NCc2cn3ccccc3n2)n1 2325732849 UBQGIFUGQHBRSK-UHFFFAOYSA-N 366.469 2.854 0 50 FFAA O=C(CCC(=O)c1ccc(Cl)s1)NC[C@H]1CC2(CCNCC2)CO1 2325760863 PMQUFMFGCKQUHX-GFCCVEGCSA-N 370.902 2.639 0 50 FFAA O=C(N1C[C@@H](O)[C@@H](O)CC2(CC2)C1)C1(c2ccc(Cl)c(F)c2)CCC1 2325803809 CKQXMCPMFPBRAT-JKSUJKDBSA-N 367.848 2.635 0 50 FFAA O=C(NCc1ccc(-c2nc[nH]n2)cc1)c1cnc(-c2ccncc2)s1 2325839909 JILJTWJOGDDCLP-UHFFFAOYSA-N 362.418 2.920 0 50 FFAA CC(C)CC(=O)N(C)CCCN(C)C(=O)c1cccc2c1CCC(=O)N2 2325868165 QXNDXPKREQNWCE-UHFFFAOYSA-N 359.470 2.538 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1 2325890045 VJRDCVVPQPPWRZ-MRXNPFEDSA-N 354.410 2.976 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 828323 LCVXNSXXSSOSGS-HNNXBMFYSA-N 352.390 2.855 0 50 FFAA CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 1015660 PWJIQDIXEIBTIY-UHFFFAOYSA-N 356.806 2.738 0 50 FFAA CCc1c(O)nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)[nH]c1=O 1122030 KXZBSEOXKDHADM-QMMMGPOBSA-N 353.831 2.811 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 2485444 DPLBSTZPFDGATN-AWEZNQCLSA-N 358.394 2.834 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)Cc2ccc(Cl)cc2)C1=O 2356138250 JYVZCWZKJHYLHR-IBGZPJMESA-N 364.873 2.513 0 50 FFAA Cc1ccc(OCCNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 2814066 SRWXYRQCHVVJQW-KRWDZBQOSA-N 352.434 2.852 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356147748 NACHHQFYOATEDW-OAQYLSRUSA-N 366.465 2.642 0 50 FFAA O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4813692 DLYZLLJNYDDIEK-CQSZACIVSA-N 362.426 2.865 0 50 FFAA Cc1ccc(-n2nc(CO)c(C(=O)N[C@H](C)c3ccccc3)n2)cc1C 8613621 NCCKHBNPIASDFV-OAHLLOKOSA-N 350.422 2.867 0 50 FFAA O=C(Nc1ccsc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 118628461 ZMDQIOLFAJGGQW-HNNXBMFYSA-N 350.465 2.930 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 54302770 JVPPGCQNCMNFNS-INIZCTEOSA-N 351.406 2.889 0 50 FFAA CCn1c2ccc(F)cc2c2nnc(SCCN3CCOCC3)nc21 20029447 VMOHBVINLMRJJR-UHFFFAOYSA-N 361.446 2.563 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)no2)CC1 67820945 HZVBUVVNOHCNOL-HNNXBMFYSA-N 374.460 2.784 0 50 FFAA O=c1cc(-c2ccccc2Cl)nc(-c2cccc(CN3CC(O)C3)c2)[nH]1 23619296 NRRNVYCDMYJICD-UHFFFAOYSA-N 367.836 2.934 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1COCCO1)CCO2 67956424 FKBHDDDIAABGRX-SFHVURJKSA-N 355.434 2.977 0 50 FFAA O=C(C1CCC1)N1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 67641721 ZWEYQDYHXCUCMI-UHFFFAOYSA-N 352.482 2.766 0 50 FFAA O=C(NC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898267 XTSJRDSUXQZJBQ-UHFFFAOYSA-N 364.511 2.677 0 50 FFAA COc1cccc2ccc(CN3CCN(CC(C)C)[C@@H](CCO)C3)nc12 22914408 SWCVHGGKKZTHJE-IBGZPJMESA-N 357.498 2.768 0 50 FFAA CC(=O)Nc1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1 252480208 BYBQJGDHSIRMTC-UHFFFAOYSA-N 356.407 2.735 0 50 FFAA Cc1ccccc1-n1cc(C2=CCN(CCN3CCCC3=O)CC2)cn1 65396144 DOYKYXNYBDVLAI-UHFFFAOYSA-N 350.466 2.892 0 50 FFAA CN(Cc1ccc2c(c1)OCO2)c1nc(C(F)(F)F)nc2[nH]cnc12 252549308 RDMCCSYGMJDPMY-UHFFFAOYSA-N 351.288 2.737 0 50 FFAA Cc1ccc(C(=O)NCc2cccnc2N2CCc3ccccc3C2)c(=O)[nH]1 67881100 HEBSYXFNPPJRKG-UHFFFAOYSA-N 374.444 2.571 0 50 FFAA COc1ccc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 2767904 CZPSLZCGHDHMSU-UHFFFAOYSA-N 371.462 2.976 0 50 FFAA C[C@@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)C[C@@H](C)O1 4651078 PVTOMWGWUQTZET-MRTMQBJTSA-N 355.070 2.518 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 219315718 GUDSXNZDEAZDFX-ZSXPUABSSA-N 351.446 2.985 0 50 FFAA C[C@@H](c1nc(N)nc(Cl)n1)N1CCN([C@H](C)c2ccsc2)CC1 253427371 FKHAALMBCFUSKU-MNOVXSKESA-N 352.895 2.609 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)C(C)(C)OC)[C@@H]2C3CCN(CC3)[C@H]12 72145062 XTTUDDAKISUNDU-BHIYHBOVSA-N 358.482 2.509 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 329010764 IAABNDOOKTZJCB-SOLBZPMBSA-N 371.485 2.695 0 50 FFAA CCCc1nccn1Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 71759174 ZSRZIZAWFUWEMO-UHFFFAOYSA-N 358.398 2.960 0 50 FFAA O=c1c2ccncc2ncn1CCc1cc(Cl)c2c(c1)OCCCO2 126473646 YCMRKIXXIQZUSU-UHFFFAOYSA-N 357.797 2.849 0 50 FFAA CCC1(NC(=O)[C@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 71415698 ZLUJAQRJZXRDAI-IBGZPJMESA-N 370.541 2.817 0 50 FFAA CCCN(C(=O)[C@@H]1CO[C@H](C)C1)C1CCN(c2cc(C)nc(C)n2)CC1 332134993 LUEFOBCWYMOHHT-WBVHZDCISA-N 360.502 2.726 0 50 FFAA COc1ccc(OC)c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)c1 39518242 KNDNOMIMQSHFCQ-LJQANCHMSA-N 362.514 2.905 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1cn(Cc2ccccc2F)nn1 72165707 JSLQWTVTPFJDDA-UHFFFAOYSA-N 370.432 2.606 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccnc(OC2CCC2)c1 369250507 LSAIJHUJDKTRKG-MRXNPFEDSA-N 356.426 2.567 0 50 FFAA CCn1nc(CNC[C@@H]2C[C@H](F)CN2c2cccnn2)c2ccccc21 369553199 TXWVGAHMANGUME-GJZGRUSLSA-N 354.433 2.553 0 50 FFAA CC1(C)CN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C(F)(F)F)O1 333685870 BJDJXDJUSGFDKS-LOWDOPEQSA-N 350.381 2.695 0 50 FFAA CCn1cc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cn1 71753008 LVWZXDCTFKDNKH-UHFFFAOYSA-N 358.467 2.742 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC[C@@H]1Cn1cccn1 72423779 ZJWJWOPIVMTQGZ-LJQANCHMSA-N 363.465 2.919 0 50 FFAA Cc1c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)cnn1C1CCCC1 132925724 ZQCYVAKSJWATQL-SFHVURJKSA-N 362.518 2.783 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](COc2ccccc2F)C1 82157085 QDQWEYRRVGUHJQ-HNNXBMFYSA-N 372.444 2.921 0 50 FFAA CCCc1cn(CC2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1 48139898 SJAOZGMTILNEFP-UHFFFAOYSA-N 364.453 2.726 0 50 FFAA NC[C@H]1CN(C(=O)c2cccnc2SC/C=C/c2ccccc2)CCO1 223114569 MLZUVXBILAZPQT-JZLODUJNSA-N 369.490 2.687 0 50 FFAA CN(C)c1nc2c(c(-c3ccc(C(=O)N[C@@H]4CCOC4)cc3)n1)CCCC2 426424377 QLHVVDGPQKKZFV-MRXNPFEDSA-N 366.465 2.607 0 50 FFAA CCNC(=O)c1ccccc1-c1cccc(C(=O)NCCN2CCCC2)c1 426712221 UQJYXRATQVWAID-UHFFFAOYSA-N 365.477 2.929 0 50 FFAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ccc(Cl)c(F)c1 426359091 PTWKVENYIBWLKV-CQSZACIVSA-N 364.852 3.317 0 50 FFAA COCCN1CC[C@H](CNC(=O)c2ccc(-c3ccncc3F)cc2)C1 426442870 HYNUSKRYWFGMRS-OAHLLOKOSA-N 357.429 2.586 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 426495544 AQUVNVFFWNONLK-NRFANRHFSA-N 367.497 2.868 0 50 FFAA CC(C)Oc1ccc(C2(C(=O)NCCc3cc(=O)[nH]cn3)CCCC2)cc1 82039476 ACXYSWBCVQDFPZ-UHFFFAOYSA-N 369.465 2.728 0 50 FFAA CCn1ccnc1C1CCN(CCC(=O)NCc2ccccc2OC)CC1 91656053 HHNJKZDXLXCFGP-UHFFFAOYSA-N 370.497 2.798 0 50 FFAA CCC[C@H](NC(=O)Nc1cc(-c2nnn(C)n2)ccc1C)c1nccn1C 97546542 OQJSEHSCADOKFV-AWEZNQCLSA-N 368.445 2.582 0 50 FFAA CCc1nc2cc(NC(=O)N3[C@H]4CC[C@@H]3CC(=O)NC4)ccc2n1CC 97711617 UPIONZJQPYSNDD-KGLIPLIRSA-N 355.442 2.503 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 91617091 YRJMIDZFJOZELB-CYBMUJFWSA-N 370.482 2.563 0 50 FFAA Cn1c(CO)nnc1C1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 96164514 ACWLXGRQSSUUAQ-UHFFFAOYSA-N 367.812 2.511 0 50 FFAA O=C(NC[C@H]1CCCNC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95391202 DNZCTNOGYIYHDL-AWEZNQCLSA-N 352.413 2.870 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)c1C 91691579 PVXZBIKXZVTTMI-INIZCTEOSA-N 357.454 2.786 0 50 FFAA Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cnc(C2CC2)[nH]c1=O 97635061 OZVVEJPOSFEFSJ-QGZVFWFLSA-N 367.449 2.777 0 50 FFAA Cc1ccc(C)c(OCCNC(=O)CCc2nc3ccccc3[nH]c2=O)c1 91526492 NIIMOTMAGNCIKQ-UHFFFAOYSA-N 365.433 2.668 0 50 FFAA Cc1nc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cs1 95390219 YMOBQPRAHBUSFZ-QXAKKESOSA-N 369.490 2.860 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 95383085 QWCHKNVKCRCLQO-HXUWFJFHSA-N 366.461 2.855 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(CN2CCCC2)o1 252537212 KSMQRHWSOYEGKW-BJLQDIEVSA-N 368.477 2.987 0 50 FFAA CSc1nn2c(=O)cc(CN3CCC[C@@H]3c3nccs3)nc2s1 252497069 PYEUXCHLBXCXCR-SNVBAGLBSA-N 365.509 2.667 0 50 FFAA Cc1nccn1CC1(CNC(=O)N2CCCN(C3CCCC3)CC2)CC1 534638608 NNMOYTUMXOHVFX-UHFFFAOYSA-N 359.518 2.632 0 50 FFAA C[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2F)cc1)N1CCOCC1 65504573 YYKREDDKKROAHN-ZDUSSCGKSA-N 364.442 2.533 0 50 FFAA CC[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)CCN1Cc1ccccc1 185348745 FOKZXHRATGVKLC-MRXNPFEDSA-N 372.494 2.838 0 50 FFAA O=C(C[C@@H]1CCC2(CCC2)CO1)N1C[C@@H]2CC[C@H](C1)N2Cc1ccon1 1875406278 ATSVDIXDVNLJBE-KSZLIROESA-N 359.470 2.589 0 50 FFAA CC[C@H](CNC(=O)C1(C(C)C)CC1)NC(=O)c1ccccc1N(C)C(C)=O 1875329339 RFBALBZCKSTUFD-MRXNPFEDSA-N 373.497 2.730 0 50 FFAA COc1cc(-n2ccc(C(=O)N[C@H](C(=O)O)c3ccccc3)n2)ccc1F 1875333153 FGIIODCGLYIXPJ-KRWDZBQOSA-N 369.352 2.576 0 50 FFAA O=C(Cc1ccsc1)NCC1CN(C(=O)c2cccc3[nH]ccc23)C1 1875388006 JIDDONABVMJKKE-UHFFFAOYSA-N 353.447 2.660 0 50 FFAA O=C(NC[C@@H]1CCCN(c2noc(C3CC3)n2)C1)c1ccc2c(c1)CCO2 952967025 YLJGPRAFMLQEEB-ZDUSSCGKSA-N 368.437 2.528 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C)C2)c1 952869609 WPBQFFTUEJZXFD-LBPRGKRZSA-N 353.850 2.595 0 50 FFAA CCOc1cc(C(F)(F)F)cc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)n1 886091354 OKZISOVLZJENDI-WUHRBBMRSA-N 369.343 2.916 0 50 FFAA Cc1nc(-c2ccccc2)ncc1-c1nnc([C@H]2CN(C)C[C@@H](C)O2)o1 888078970 PHJOZMUODYNQTK-MLGOLLRUSA-N 351.410 2.894 0 50 FFAA Nc1nc(C(=O)N2C[C@H]3C[C@H](c4ccccc4)CC[C@@]3(C(=O)O)C2)cs1 1565507112 CAJBIPVOCPZQBY-PJIJBLCYSA-N 371.462 2.836 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCO[C@H](c2cncn2C)C1 275639468 SUHWUFXGBGBQSW-ALKREAHSSA-N 357.454 2.980 0 50 FFAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 170624935 JDXLQQHAWIZBFA-VHSXEESVSA-N 371.293 2.873 0 50 FFAA Cc1nc(NC[C@@H]2CCN(CCc3ccccc3)C2)c2cnn(C)c2n1 171367656 VHJLSACRKMUOPR-KRWDZBQOSA-N 350.470 2.648 0 50 FFAA O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1Br 782163184 WGTDWVHAEPFNLX-UHFFFAOYSA-N 357.211 2.960 0 50 FFAA C[C@H](OC(=O)c1cnnn1-c1cccc(F)c1)C(=O)N(C)c1ccccc1 789106474 SRPAHHWLHMYPAQ-ZDUSSCGKSA-N 368.368 2.615 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccccc4C)c3)C[C@@H]2O)on1 1529167042 DJXDCFWCPIJWCP-XLIONFOSSA-N 352.438 2.513 0 50 FFAA CC(=O)c1cc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)n(C)c1 1529186388 YDXALGMGVPWQMI-XMSQKQJNSA-N 363.461 2.811 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)N(CCN(C)C)Cc1cnc[nH]1 1704312424 AZOBISOPINQVCC-UHFFFAOYSA-N 371.268 2.929 0 50 FFAA c1ccc(Cc2cc(C3CCN(CC[C@@H]4COCCO4)CC3)n[nH]2)cc1 1800415988 AVGULWPUFDJRIL-HXUWFJFHSA-N 355.482 2.985 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]12 1704297342 NKPDBVVAQCMIHQ-APWZRJJASA-N 364.873 2.670 0 50 FFAA CCOC(=O)[C@H]1NN=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 5205453 IZHJEBWJDHBXHA-AEFFLSMTSA-N 352.390 2.553 0 50 FFAA O=C(NCc1ccon1)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 12315244 HRAWLKXDJCOJFX-UHFFFAOYSA-N 366.299 2.926 0 50 FFAA COC(=O)[C@@H](C)Nc1ccc(-c2nc(COc3ccccc3)no2)cn1 14957114 PQKCFXUZGWIECD-GFCCVEGCSA-N 354.366 2.684 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1cccs1)N1CCOCC1 15017226 ZCBLFLABFHEDIL-MJGOQNOKSA-N 356.447 2.847 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)O1 1857672733 ZERNWJQASDFDIH-CABCVRRESA-N 374.481 2.767 0 50 FFAA CCOc1ccccc1N1CCN([C@@H]2CCOC3(CCNCC3)C2)CC1 1857677978 HIZXYHMNWOCSKO-GOSISDBHSA-N 359.514 2.509 0 50 FFAA COc1ccc(C)cc1N1C[C@@H](c2nc(C3CCOCC3)no2)CC1=O 113753771 FGYOQQOKWXSQGY-AWEZNQCLSA-N 357.410 2.801 0 50 FFAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]1Cc1ccccc1Cl 331441598 NOWPYNBLTLZXNM-AWEZNQCLSA-N 353.875 2.778 0 50 FFAA C[C@@H](C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)s1 333964950 PMVGCLDXWGSDKQ-ABAIWWIYSA-N 361.916 2.932 0 50 FFAA C[C@]1(O)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 133633264 PEBWONXEHWAZGW-BEFAXECRSA-N 364.873 2.566 0 50 FFAA Cc1c(C(=O)N(C)[C@H]2CCCN(C)C2)nnn1-c1ccc(F)c(Cl)c1 153755764 FANLCNPJMAOGMR-ZDUSSCGKSA-N 365.840 2.534 0 50 FFAA CCCOc1cccc(CCNC(=O)N2CC[C@H](c3nccn3C)C2)c1 366736859 BAAUCDBFFSSVCK-KRWDZBQOSA-N 356.470 2.951 0 50 FFAA O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCCC2(CCCCC2)CC1 377065309 GFERABMSDMTKEU-MRXNPFEDSA-N 356.532 2.957 0 50 FFAA Cn1ccc2c1CN(C(=O)[C@@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2 2325740725 DMUHVFMBNNPYKL-CQSZACIVSA-N 357.841 2.616 0 50 FFAA Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1C 2325842777 IHYPXUHJOQLBAM-HNNXBMFYSA-N 354.454 2.794 0 50 FFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCCC1 780691 SMUSUZMGPCNDFN-UHFFFAOYSA-N 350.484 2.632 0 50 FFAA CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3)cc2)CC1 1406041 KRURYNSEYAJJTL-UHFFFAOYSA-N 367.449 2.681 0 50 FFAA Cc1n[nH]c(C)c1CCc1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1)C2 2356139760 WVEDRXGYMAOBCS-HNNXBMFYSA-N 364.453 2.507 0 50 FFAA CC(C)CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 2817289 WFALAUWDYKNTJN-UHFFFAOYSA-N 353.271 2.532 0 50 FFAA Cc1cccc(OCCSc2nc3ccccc3n2C[C@H](O)CO)c1 2929515 HUWDQBOSPUUUES-HNNXBMFYSA-N 358.463 2.869 0 50 FFAA Cc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c1 4701902 QNYLYQBDMLDBFZ-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCC[C@H](NC(C)=O)C(=O)NC(=O)NC(c1ccccc1)c1ccccc1 4996965 FKIYLLPFIUONKO-SFHVURJKSA-N 367.449 2.907 0 50 FFAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 6731003 DSBUPFKRBJNNFI-CQSZACIVSA-N 372.252 2.849 0 50 FFAA NC(=O)COc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 55386398 ZSHBUWLBZUFJKZ-IBGZPJMESA-N 372.440 2.871 0 50 FFAA Cc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)c1 9197656 JKHWJOWDBBUEMF-AWEZNQCLSA-N 352.390 2.758 0 50 FFAA Cc1nnc(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)s1 53451901 RUQVUVCOFDTZHB-CYBMUJFWSA-N 353.444 2.678 0 50 FFAA CCOc1ccc(NC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)cn1 135169766 IQJOFKLGKVUPCO-CYBMUJFWSA-N 352.398 2.944 0 50 FFAA COc1cccc([C@@H]2CNC(=O)c3nc(-c4ccc(CO)cc4)[nH]c3C2)c1 65434985 BQJUITPXIYPHIL-INIZCTEOSA-N 363.417 2.647 0 50 FFAA Cc1cc(C)c(OCCOCCN2CCN(C)CC2)c(Br)c1 22184883 IWIOZIRDFMVROT-UHFFFAOYSA-N 371.319 2.709 0 50 FFAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1C 65363186 QKIAXFFZNMWQEB-NVXWUHKLSA-N 352.500 2.542 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCc1nc3c(s1)CCC3)C2 65430155 FCENHRAHWDKJEE-CYBMUJFWSA-N 358.463 2.550 0 50 FFAA CS(=O)(=O)c1ccc2ncnc(N[C@H]3CCN(c4ccccc4)C3)c2c1 252487934 IFBZFJGINMGJOR-AWEZNQCLSA-N 368.462 2.724 0 50 FFAA CCc1nc(N2CCC3(CC2)CC(=O)N(Cc2cccc(OC)c2)C3)no1 77303290 GNAFMHCUVBRURD-UHFFFAOYSA-N 370.453 2.660 0 50 FFAA CC(C)N1CCC(N2CCC[C@H](C(=O)NCCc3cccs3)C2)CC1 11998623 QNTRBBROEOHCOX-KRWDZBQOSA-N 363.571 2.992 0 50 FFAA Cc1n[nH]c(C)c1CCc1n[nH]c(=O)n1-c1ccc(Cl)cc1Cl 67643773 NZVAYNDVGCCFQN-UHFFFAOYSA-N 352.225 2.993 0 50 FFAA O=C(NCc1cccnc1)c1cc2n(n1)CCCN(Cc1ccccc1)C2 65407440 MOAUZUPPWXIHHX-UHFFFAOYSA-N 361.449 2.614 0 50 FFAA C[C@H]1CCCN1c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 67723435 FMVUMFFKTGDHOQ-INIZCTEOSA-N 370.497 2.545 0 50 FFAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](c2ccc(F)cc2)C1 481243357 UDDWCOIRORRTLR-AWEZNQCLSA-N 363.410 2.775 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)Cc3cc(C)no3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72140431 AOFOGJVZFUVOII-CEMLEFRQSA-N 365.477 2.923 0 50 FFAA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)Cc3noc4ccccc34)C2)cn1 328618106 DJJINHBRWSWLIN-OAHLLOKOSA-N 373.434 2.514 0 50 FFAA O=C1OC2(CCN(C(=O)c3ccoc3)CC2)CN1CCOc1ccccc1 77505206 FFDQJJGBPDPLCK-UHFFFAOYSA-N 370.405 2.786 0 50 FFAA CCCN(CCC)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71419321 LLZBLEMJADWHOK-MRXNPFEDSA-N 361.486 2.624 0 50 FFAA CCc1ccc(CN2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)s1 156773795 MUDBSNNHBWRKFJ-ZDUSSCGKSA-N 364.540 2.912 0 50 FFAA COc1cc2c(cc1CNC(=O)c1cc3c(n(C)c1=O)CCCC3)CCC2 216058339 GEGXAJAUALPFOO-UHFFFAOYSA-N 366.461 2.691 0 50 FFAA C[C@@H](Oc1ccccc1CN1CCC(N2CCSCC2)CC1)C(=O)O 215930441 TWQANNIOTHVWBZ-OAHLLOKOSA-N 364.511 2.552 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3oc(C)cc3C)C2)o1 371243483 KNVXBNDAOLAROM-OAHLLOKOSA-N 359.426 2.710 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(C)s3)ccc21 77342600 BQGFZKXELGNLRE-UHFFFAOYSA-N 373.478 2.709 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2OC)n1C 372850197 ZBGGKHBIUWNDGO-INIZCTEOSA-N 355.438 2.761 0 50 FFAA Cc1ccc(N2CCC(N3C[C@H]4C[C@H](O)[C@@H](O)C[C@H]4C3)CC2)cc1Cl 72145889 QMFQAPZCGWCPPK-VZJWBNGJSA-N 364.917 2.681 0 50 FFAA Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC(N)CC2)cc1 157615151 CZLXLBSXAMLVSF-UHFFFAOYSA-N 363.259 2.507 0 50 FFAA CCOc1ccc2[nH]c(=O)c(CN3CCO[C@H](C(F)(F)F)C3)cc2c1 71754035 YLLDDZCDSBAVJZ-HNNXBMFYSA-N 356.344 2.690 0 50 FFAA Cc1nc(CCC(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n[nH]1 72476282 VVEAXHVBOYBJJU-BBTUJRGHSA-N 368.481 2.725 0 50 FFAA CN(C)C[C@@]1(O)CCCN(C(=O)CCCc2ccc(Cl)cc2)CC1 77286180 NOXHCKWZDJJMFX-LJQANCHMSA-N 352.906 2.968 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)cc1 77519913 KBMKCNJHQPLKQB-KRWDZBQOSA-N 374.481 2.715 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)c3cn4ccsc4n3)CC2=O)c1 77541584 ZLXBWGXBELKWPR-UHFFFAOYSA-N 354.435 2.502 0 50 FFAA C[C@H]1CC[C@H](CCC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)O1 175253490 HBGJKPXXSZTQOX-MAUKXSAKSA-N 362.445 2.848 0 50 FFAA Cc1nonc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 286148422 LCCJIMUCPGVYPI-CHWSQXEVSA-N 354.332 2.627 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 223602957 ZOZLXVNOSLBKTO-MJGOQNOKSA-N 369.396 2.528 0 50 FFAA CCCC[C@@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)Cn1ccnc1 82161840 WIQXWQWMWLGVAT-GOSISDBHSA-N 354.454 2.626 0 50 FFAA O=C1C[C@]2(CCN(C(=O)c3sc4cccc(F)c4c3Cl)C2)C(=O)N1 82086582 SIZMSHJSPXBICJ-INIZCTEOSA-N 366.801 2.573 0 50 FFAA CN[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C1 133489464 ZQNVEFIMLYMRGP-LBPRGKRZSA-N 352.360 2.715 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@]4(CCNC4)C3)c2)n1 289242311 MXMPICAIWJOPRZ-OAQYLSRUSA-N 352.482 2.764 0 50 FFAA Cc1cccc2nc([C@@H]3CCCN3C(=O)NCc3csc(N)n3)[nH]c12 426628216 JXSMVUHBHFKPMK-ZDUSSCGKSA-N 356.455 2.957 0 50 FFAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccc(Oc4ccccc4)cc3)C[C@@]23C=C[C@H]1O3 226957097 NWJPRZDCURYBDX-IKVWTGGYSA-N 363.369 2.850 0 50 FFAA CN(C)C(=O)Cc1ccc(-c2ccc(C(=O)NCC3(C)COC3)cc2)cc1 426430981 GHKBFEBSBLSLMK-UHFFFAOYSA-N 366.461 2.751 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccccc3)C(=O)C1)OCCCO2 82097059 DVCRKFCTYMUPHZ-UHFFFAOYSA-N 368.433 2.705 0 50 FFAA O=C(NCc1ccc2nsnc2c1)N1CCC[C@@H](c2ccncn2)C1 426502901 MKBJQXGISDWREA-CYBMUJFWSA-N 354.439 2.571 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1csc(SCC)n1)C2 95507586 KPUCHMBUHAMPKB-GXTWGEPZSA-N 367.540 2.657 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCCC[C@H]1c1ccco1 95383120 MIUAIKBWQDUQSZ-HNNXBMFYSA-N 353.378 2.567 0 50 FFAA Cc1c(CNC(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)cnn1C 292280680 GVYSALTZOYFVKB-LJQANCHMSA-N 369.513 2.830 0 50 FFAA O=c1cc(CN2CCOc3ccc(CO)cc3C2)[nH]c2c(F)cccc12 91877038 CMIQAFRMFZLEIM-UHFFFAOYSA-N 354.381 2.554 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1nc3ccc(F)cc3[nH]1)C2 95370820 YXODJODYGUMKPH-SWLSCSKDSA-N 370.428 2.565 0 50 FFAA COc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c(F)c1 91819776 CESQZCQRZGPOGM-CRAIPNDOSA-N 369.440 2.966 0 50 FFAA C/C(=C\c1ccccc1)CN1CCN(c2nc(C)nc3c2cnn3C)CC1 179529139 BFWQHRIFDWKWSW-DTQAZKPQSA-N 362.481 2.897 0 50 FFAA CCN1CC2(CCN(C(=O)CSC)CC2)C[C@H](c2ccccc2)C1=O 91707200 IIXLGQNCNZMHQF-QGZVFWFLSA-N 360.523 2.994 0 50 FFAA Cc1c([C@@H](C)NC(=O)Cn2cc3ccccc3n2)cnn1-c1ccccn1 91636939 LJVPMIOGRDVJSO-CQSZACIVSA-N 360.421 2.803 0 50 FFAA COCCc1noc([C@@H]2CCCN(c3ncnc4nc(C)cc(C)c34)C2)n1 95390500 OCBDXBYAIUDZDD-CQSZACIVSA-N 368.441 2.598 0 50 FFAA Cn1c(=O)c(C(=O)NCc2csc3c2CCCC3)nc2ccccc21 97425074 OHEHDFZJWZKARS-UHFFFAOYSA-N 353.447 2.804 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239235510 WCCWKHLFPRICJB-CUURYPBKSA-N 364.445 2.684 0 50 FFAA CCN(CCCCO)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91794474 MUXCURKMBQMCMC-INIZCTEOSA-N 366.889 2.700 0 50 FFAA COc1ccc([C@@H](NC(=O)c2csc(C(C)C)n2)[C@H]2C[C@H](O)C2)cn1 244700985 JXSBYKAUZZVNJN-XJKCOSOUSA-N 361.467 2.912 0 50 FFAA O=C(CCC1CCCC1)N[C@H]1CC[C@@H](n2cc(C(=O)NC3CC3)nn2)CC1 244795726 RMNQIMVWQPLJIA-WOVMCDHWSA-N 373.501 2.741 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CCC(=O)O)C1CCOCC1 299753620 YUVUTPHLRKSOBD-CYBMUJFWSA-N 369.845 2.898 0 50 FFAA Cc1cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c2c(C)noc2n1 67772785 LWQWUHQAESMWDE-UHFFFAOYSA-N 351.410 2.984 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](c4nc(C)no4)C3)cc2)n1 299791699 FFOPJZGQKNMORB-MRXNPFEDSA-N 351.410 2.810 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1cc(=O)c3ccc(C)cc3o1)C2 824805004 XLBVPDYXHDTAAB-CQSZACIVSA-N 365.385 2.844 0 50 FFAA O=C([C@@H]1CCCO1)N1CCC(NCc2coc(-c3ccccc3)n2)CC1 827913342 DYSPUOVGLHWXCH-SFHVURJKSA-N 355.438 2.601 0 50 FFAA CCN1CCCC[C@@H]1CNC(=O)CC(=O)Nc1cccc(Cl)c1C 823113184 IVOZECAABQETAL-CQSZACIVSA-N 351.878 2.968 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)N2CCC3(CCO3)CC2)n1 584898295 RSWKKVPCAIURMW-GFCCVEGCSA-N 374.407 2.811 0 50 FFAA CON1CCC(Cc2nc(-c3ccnc(OCC(F)(F)F)c3)no2)CC1 1875290858 FTJLACVJGPNALS-UHFFFAOYSA-N 372.347 2.889 0 50 FFAA COc1ccnc(N2CC[C@H](CNC(=O)C(C)(C)c3ccccc3C)C2)n1 1875312694 QARJINOUXDUXFF-MRXNPFEDSA-N 368.481 2.714 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCN(C)C)Cc3ccccc3)n[nH]c21 1875393567 OTDRBKSATCFCBI-CABCVRRESA-N 356.470 2.636 0 50 FFAA CCn1nc(C)c(C(=O)NC2CC(N(C)C(=O)CCC(F)(F)F)C2)c1C 1875303286 KVVRBFFKYGXMCA-UHFFFAOYSA-N 374.407 2.582 0 50 FFAA COc1ccc(NC(=O)c2ccc3c(c2)CCCO3)cc1C(=O)N(C)C 952976969 YWBXVCNXLUXOLX-UHFFFAOYSA-N 354.406 2.974 0 50 FFAA CCCn1c(C)nc2cc(NC(=O)CCC(=O)Nc3nncs3)ccc21 952980594 QOLGAPOGKSWWCC-UHFFFAOYSA-N 372.454 2.964 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCO[C@@H](c3ccccc3)C2)CC1 952991204 ZZINSNRQMBPKTN-HXUWFJFHSA-N 351.450 2.760 0 50 FFAA C[C@H]1CN(c2cc(Cl)ccc2Cl)CCN1C(=O)c1ccc[n+]([O-])c1 888093185 QLAMANYUCVMKQH-LBPRGKRZSA-N 366.248 2.978 0 50 FFAA COc1ccc([C@H]2CN(Cc3ccccc3OC)C[C@@H]2NC(C)=O)cc1 1565510745 ZMHXFUKVCXHXRQ-UXHICEINSA-N 354.450 2.808 0 50 FFAA O=S(=O)(N[C@H]1CCOC[C@@H]1OCC1CC1)c1cccc2ccccc12 1565508436 XXBOCFDNNNILHF-ROUUACIJSA-N 361.463 2.702 0 50 FFAA O=S(=O)(NC[C@@H](O)c1cccc2ccccc12)c1cccnc1Cl 1464051998 CZOHNZQDIVFPRO-OAHLLOKOSA-N 362.838 2.900 0 50 FFAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCN(c2cncc(F)c2)CC1 270979340 XCWDDCYJAALXTP-ZDUSSCGKSA-N 353.401 2.753 0 50 FFAA C[C@@H](Cn1cc(Br)cn1)N[C@H]1CCCO[C@@H]1c1ccncc1 275365951 BNLRXLJETNPUCT-VBNZEHGJSA-N 365.275 2.939 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N(C)CC(=O)O)CC2)c(Cl)cc1F 186669012 DGHGQKSIHXKWRF-GFCCVEGCSA-N 356.825 2.799 0 50 FFAA Cc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)ns1 277463650 BKEXDHYDXYKULW-UHFFFAOYSA-N 363.870 2.632 0 50 FFAA CCc1cccc(C(=O)O)c1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1 170617705 PPWQACWYESBGBG-UHFFFAOYSA-N 367.354 2.585 0 50 FFAA O=C(c1csc([C@@H]2CCCO2)n1)N1CC[C@H](OCc2ccncc2)C1 170692581 KTCPIBSZVZVMSP-HOCLYGCPSA-N 359.451 2.821 0 50 FFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCc1cccc(F)c1 190135591 NPRWTTVRZPXCAX-NRFANRHFSA-N 371.456 2.604 0 50 FFAA CCC1=NO[C@H](CN2CCC(CNC(=O)c3ccc(C)nc3C)CC2)C1 1506396705 MSVPJAOKSLVFMP-SFHVURJKSA-N 358.486 2.695 0 50 FFAA CCOCCN(CCOCC)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 1506412382 DADSYDKCEXUILB-SFHVURJKSA-N 352.475 2.787 0 50 FFAA O=C(c1ccccc1OC(F)F)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216955611 HJHLECHGNQNKPN-KGLIPLIRSA-N 364.392 2.761 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC(Cc2ccc(O)nc2)CC1 1772707557 QAMJICSAUHTQNJ-UHFFFAOYSA-N 360.435 2.715 0 50 FFAA COc1ccc(OCC(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cc1 11775831 SFYGFKAZXWJADA-UHFFFAOYSA-N 374.481 2.715 0 50 FFAA COc1ccc2c(c1)O[C@@H](C)CN(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 11910111 UVHAMRCHVPXOOP-VIFPVBQESA-N 355.316 2.860 0 50 FFAA Cc1cc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)nn1C 12001631 AWLYJKABPFHUFP-UHFFFAOYSA-N 372.488 2.894 0 50 FFAA Cc1nc(C(=O)N[C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cs1 12028375 RNWYEHQJUFOKKA-AWEZNQCLSA-N 363.870 2.678 0 50 FFAA Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccccc3)on2)n1 12459016 VWJHNWIQPMRUAF-UHFFFAOYSA-N 352.394 2.633 0 50 FFAA CCN(Cc1cn(CC)nc1C)CC1CCN(C2CCN(C)CC2)CC1 15064114 XMZANCAKJKSHTI-UHFFFAOYSA-N 361.578 2.840 0 50 FFAA CCN(CC)C(=O)NC1CCN(C(=O)COc2ccc(C)c(C)c2)CC1 169895003 JSQWWQXJTGOPMS-UHFFFAOYSA-N 361.486 2.725 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)c1ccccc1 667076 KJSCULNSQVJBQX-FQEVSTJZSA-N 359.429 2.739 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Br)cn1 217413354 TXNDPVMTFHCJFB-ICCXJUOJSA-N 353.216 2.702 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCc3ccc(Cl)c(C)c32)C1 127496494 QWXSUJOYEZDOLR-MRXNPFEDSA-N 363.889 2.528 0 50 FFAA Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCO[C@H](C(=O)O)C1 237682744 IXBBBSVCQJTZPJ-QMMMGPOBSA-N 372.855 2.759 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 238129750 OYSJFBJINICCKL-GFCCVEGCSA-N 351.811 2.994 0 50 FFAA Cn1ccnc1CN1CCC(C(=O)N2CCc3cc(Cl)ccc32)CC1 376084562 XRXQIHFNRUZGLP-UHFFFAOYSA-N 358.873 2.875 0 50 FFAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 162773884 LUDUWDHCESEHSD-BLLLJJGKSA-N 371.437 2.522 0 50 FFAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](CO)Cc1cnn(C)c1 390832629 IRENTXCMNBEFGN-FUHWJXTLSA-N 372.513 2.766 0 50 FFAA COc1ccccc1CNC(=N)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 849104387 OUMCIDYWNPVCBS-YLJYHZDGSA-N 357.429 2.614 0 50 FFAA O=C(NC[C@H](O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCc2n[nH]cc2C1 852212814 DWHZXAWIPJVLIL-ABAIWWIYSA-N 369.252 2.607 0 50 FFAA CN1c2ccc(C(=O)NC(C)(C)C(C)(F)F)cc2C(C)(C)S1(=O)=O 2325760764 OLRVPUXWRVGZFF-UHFFFAOYSA-N 360.426 2.865 0 50 FFAA O=C(CN1CC[C@@](O)(c2cccc(C(F)(F)F)c2)C1)NCC1CCC1 2325853791 BORHOXSUIZQNOI-KRWDZBQOSA-N 356.388 2.515 0 50 FFAA O=C(OCCc1ccccc1CO)[C@H]1CCCCN1C(=O)c1ccccc1 2325871047 ZSUVWPCEISTPHC-HXUWFJFHSA-N 367.445 2.960 0 50 FFAA CCCCC[C@@H](O)C(=O)Nc1cccc(NC(=O)c2ncccc2N)c1 2325872013 DWJUHSRHEUTQSU-MRXNPFEDSA-N 356.426 2.796 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 3684650 PRUPQCIQHAZBHA-CVEARBPZSA-N 350.846 2.880 0 50 FFAA Cc1ccc(Nc2nc(N)nc(N)c2S(=O)(=O)c2ccccc2)cc1 8591027 NSNCGXYPRGBABJ-UHFFFAOYSA-N 355.423 2.526 0 50 FFAA COc1cc2nc(NCCN3CCC[C@H](CO)C3)cc(C)c2cc1OC 55284174 XJQYETOGFCNBNX-HNNXBMFYSA-N 359.470 2.677 0 50 FFAA Cc1cccc(CN2CCN(C/C=C/c3ccccc3)C[C@@H]2CCO)n1 20908725 MBUWIRUPUSOJHH-FLVSMNSFSA-N 351.494 2.972 0 50 FFAA Cc1nccn1CCC1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 55199429 CULXSTBTTJXFKY-UHFFFAOYSA-N 360.502 2.659 0 50 FFAA COc1cccc(-c2noc(-c3ccc(NC[C@H](C)O)nc3)n2)c1OC 20536011 JLMFHKFTLSUZFM-NSHDSACASA-N 356.382 2.609 0 50 FFAA CC(C)(C)OC(=O)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 409444195 VZDQYVRRUMMQRJ-UHFFFAOYSA-N 362.415 2.581 0 50 FFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)C3CCCC3)CC2)n1 33318270 PXGHYYFNSBCTMJ-UHFFFAOYSA-N 357.502 2.614 0 50 FFAA CCc1cnc(-c2cccc(-c3ccn(C[C@H]4COCCO4)n3)c2)nc1 20601014 KJSWMEFPHAGBAG-SFHVURJKSA-N 350.422 2.985 0 50 FFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)c2ccccc2oc1=O 217936916 RLEHNDBLZHUFMT-AWEZNQCLSA-N 368.341 2.892 0 50 FFAA biogenic C[C@H](O)C[C@H]1CCCCN1C[C@@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 252551320 UBWWTEMPVKTDSG-LFAQGZIKSA-N 351.531 2.982 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3cc(C)n4nc(C)cc4n3)CC2)c1 63856258 FMJSRWUANSDMFA-UHFFFAOYSA-N 363.465 2.613 0 50 FFAA Cc1cccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)c1C 65362251 JAABJVMONRLLHV-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA CC(C)c1cc(NC[C@H](c2ccccn2)N2CCOCC2)n2nccc2n1 72458614 WXVJTOGEVBMMAH-GOSISDBHSA-N 366.469 2.733 0 50 FFAA CCN(C(=O)CCN1CCN(C2CCOCC2)CC1)c1ccccc1C 65493382 VCGORZKNPWHSRT-UHFFFAOYSA-N 359.514 2.535 0 50 FFAA O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 127760924 SFVALYPZTFYBLP-UHFFFAOYSA-N 373.416 2.819 0 50 FFAA CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)c(C)c1 67630062 GSMQBZWKCVWDTJ-SFHVURJKSA-N 366.527 2.932 0 50 FFAA O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCC[C@H]1CCn1cccn1 67725513 YGJUBFLPOAOVCQ-KRWDZBQOSA-N 350.426 2.753 0 50 FFAA O=C1C[C@H](N2CCCC[C@@H]2CCO)C(=O)N1c1cccc2ccccc12 34065322 GAAJZDHGBXYJQX-APWZRJJASA-N 352.434 2.709 0 50 FFAA Cc1nccn1CC[C@@H](NC(=O)c1nnc2n1CCCC2)c1ccccc1 215753312 ALNGFXDXKCHAST-QGZVFWFLSA-N 364.453 2.681 0 50 FFAA CN(Cc1noc(C2CC2)n1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328634135 MNOBYFRLTJNICX-JTQLQIEISA-N 355.364 2.857 0 50 FFAA COCc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 363236577 ULIAMNOMNIWJFX-MRXNPFEDSA-N 355.442 2.722 0 50 FFAA Cc1cc(N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc(C)n1 77408340 NDBFMQLUPVLSBN-NRFANRHFSA-N 367.497 2.873 0 50 FFAA CN(Cc1ccoc1)C(=O)[C@H]1CC[C@@H](NC(=O)c2ncc(F)cc2F)C1 72423293 UZTVAVJGIKPRRF-GXTWGEPZSA-N 363.364 2.510 0 50 FFAA COc1ccnc(N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)n1 72474299 XQILFTKZVKODNZ-UHFFFAOYSA-N 352.438 2.504 0 50 FFAA O=C(c1ocnc1C1CC1)N1CCC[C@H](Cc2nnc3ccccn23)C1 368132049 DAFLGAOAUBUYKI-CYBMUJFWSA-N 351.410 2.690 0 50 FFAA O=C(O)COc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1 262850793 WWLUVJMSSZXYFW-SJLPKXTDSA-N 355.390 2.800 0 50 FFAA C[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccc(S(C)(=O)=O)cc1 31497816 OPTBWBABCUFVFS-CQSZACIVSA-N 371.462 2.707 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ccc(F)cn2)C1 72432836 OVOKXEJEIJIJMR-HNNXBMFYSA-N 358.465 2.719 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nn1 72425885 MKQHAJDUENLLPQ-FQEVSTJZSA-N 351.454 2.589 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 128085352 UPURDOIETFNPFP-INIZCTEOSA-N 359.393 2.720 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCN[C@H](c2ccccc2)C1 333722928 ILFOPFCEABSLQI-IBGZPJMESA-N 351.450 2.843 0 50 FFAA Cc1ccc(NCCCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)nc1 222682018 YWQAPAJPYKLIQR-HNNXBMFYSA-N 370.428 2.500 0 50 FFAA CCN(C)C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 177849057 RPDDCRYDANDSQK-IBGZPJMESA-N 372.557 2.943 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 82087027 XYJQJJLAKPXQLF-UHFFFAOYSA-N 370.478 2.891 0 50 FFAA COc1cc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)ccn1 147996617 ONXHFEUSUJFSQB-UHFFFAOYSA-N 370.453 2.567 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)N[C@@H](C)c1nc(-c2ccccn2)no1 426380767 ZBUQACQKVHCYGX-ZDUSSCGKSA-N 369.429 2.641 0 50 FFAA C[C@@H](c1nccs1)N1CCN(c2ncnc3c2ncn3C2CC2)CC1 292676040 IELLYJTXKSAPND-LBPRGKRZSA-N 355.471 2.501 0 50 FFAA CNc1cc(C)nc(-c2cccc(C(=O)N(C)[C@H](C)c3ccncn3)c2)n1 426624742 GZQXDQNIFXZKQE-CQSZACIVSA-N 362.437 3.117 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91574867 PJXUUXURSFXTSY-SFHVURJKSA-N 352.394 2.637 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1 95377267 FPDZZPVTPDJEBH-IBGZPJMESA-N 352.478 2.879 0 50 FFAA CC(C)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95383820 CIKMNSCQOOHZBV-ZLGUVYLKSA-N 356.466 2.850 0 50 FFAA Cc1ccc(C(=O)NCCc2nc(C)c(C)s2)cc1N1CCNC1=O 91636802 IQRAIWJRPORRHZ-UHFFFAOYSA-N 358.467 2.570 0 50 FFAA C[C@@H](c1nc(CCc2ccccc2)nn1CC(F)(F)F)n1cncn1 96142279 BZXZYUDZMDPAFL-LBPRGKRZSA-N 350.348 2.826 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c(-c3ccccc3)noc2C)on1 95359998 QZGDVMQTLWXXNF-WBVHZDCISA-N 367.405 2.934 0 50 FFAA O=C1C[C@H](NCc2ccccc2)C(=O)N1c1ccc(Br)cc1 96182642 IAHHEUFUUNGUID-HNNXBMFYSA-N 359.223 2.871 0 50 FFAA Cc1nccc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1 92078237 YWMBXOUNCDSVKE-MRXNPFEDSA-N 368.485 2.662 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)[C@@H]1c1ccc(F)cc1 97785661 SVIHKRJOAIEBIU-GOSISDBHSA-N 364.380 2.529 0 50 FFAA CCC[C@H]1CN(S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)C[C@@H]1N 95392777 UOMBCOXVFWNMJF-HOTGVXAUSA-N 363.483 2.706 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(C/C=C/c1ccc(F)cc1)CCN2C 91526371 VYICFIDTXYJQMF-KTBYTZPXSA-N 359.489 2.858 0 50 FFAA O=C(Nc1cc(F)c(Cl)cc1Cl)N1CCC[C@](O)(CO)CC1 96152553 AUWKUKFDUDDGBA-CQSZACIVSA-N 351.205 2.874 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H]2C)ccc1O 239415226 UAHKWVUOSCTMDX-VMDBXTETSA-N 360.410 2.761 0 50 FFAA Cc1nn(C(C)C)c(C)c1CNC(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 244723533 MDJGQIPZRDPSSQ-IBGZPJMESA-N 372.469 2.729 0 50 FFAA Cc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccc(F)cc2n1 243885899 ADOWUSALAMSRLB-HGQUKEQDSA-N 368.412 2.658 0 50 FFAA C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)CCCc2ccccc21 183947662 CVEMDFHTEWXSRW-HXUWFJFHSA-N 373.474 2.685 0 50 FFAA O=C(CCN1Cc2cnn(Cc3ccc(F)cc3)c2C1)Nc1nccs1 252487739 IAYQYADPZDKGRQ-UHFFFAOYSA-N 371.441 2.871 0 50 FFAA Cn1cnc(-c2ccc(C(=O)N3CCO[C@](C)(c4ccccc4)C3)cc2)n1 184190599 IIGJCTXFKLOLKS-NRFANRHFSA-N 362.433 2.870 0 50 FFAA CCOc1ccc(-c2cccc(C(=O)N[C@H](C)Cn3cccn3)c2)nn1 534676821 DWLKRUUFNMAGHJ-CQSZACIVSA-N 351.410 2.557 0 50 FFAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(CS(C)(=O)=O)o1 184758078 KRIPAWCVQPECSO-UHFFFAOYSA-N 374.462 2.762 0 50 FFAA Cc1ccc2nc(CCNC(=O)N3CC(N4CCCC[C@H]4C)C3)[nH]c2c1 534676292 XFVDOTVPMMZONI-OAHLLOKOSA-N 355.486 2.682 0 50 FFAA C[C@H](CCC(=O)NCC1(c2ccc(Cl)cc2)CC1)N1CCN(C)CC1 299798036 PSIRSRHSQSPDET-MRXNPFEDSA-N 363.933 2.904 0 50 FFAA Cc1csc([C@H](C)CNC(=O)CCn2c(CO)nc3ccccc32)n1 299796670 NMVBWERXNBZMII-GFCCVEGCSA-N 358.467 2.604 0 50 FFAA CC1(CNC(=O)c2ccccc2S[C@@H]2CC(=O)NC2=O)CCCCC1 828295573 MWTGJPOIKLFBGF-OAHLLOKOSA-N 360.479 2.894 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)nc(N)n1 821471661 RJQMEXAHGANDQB-ZDUSSCGKSA-N 353.348 2.686 0 50 FFAA O=C(CN1CCCC1)NCC1CCN(Cc2ccnc3ccccc23)CC1 827831750 FLDVASOMPGLXQA-UHFFFAOYSA-N 366.509 2.659 0 50 FFAA CCN(CC)C(=O)c1sc2ncn(Cc3cc(C)no3)c(=O)c2c1C 584890640 GLBAYXDMWUCNPE-UHFFFAOYSA-N 360.439 2.593 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)NC[C@@H](C)N3CCCCC3)[nH]c12 584885954 UZCJPMVRGLMORC-MRXNPFEDSA-N 357.502 2.930 0 50 FFAA CCN(CC)CCOc1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1 163335374 AXSHNIBSHKKCBT-QGZVFWFLSA-N 371.485 2.809 0 50 FFAA O=C(N[C@@H]1C[C@H](O)C12CCOCC2)c1cc(C2CC2)nc(C(F)(F)F)c1 1875320482 REQABGXGQPHBFQ-HIFRSBDPSA-N 370.371 2.638 0 50 FFAA O=C(NC1CC(N2CCCCC2)C1)N1CCC[C@](O)(c2ccccc2)C1 875550337 NHXCCUBZVZSYTN-GZNCHQMQSA-N 357.498 2.697 0 50 FFAA C=CC(=O)N[C@@H]1CN(C(=O)c2ccccc2OC2CCC2)C[C@H]1C1CC1 1875370942 JMEUJNOPFFQIAQ-ZWKOTPCHSA-N 354.450 2.771 0 50 FFAA COc1cc(F)c([C@@H](NCC2(n3ccnn3)CC2)C(F)(F)F)cc1OC 1875396632 PIIWPJUMPYUBOW-CQSZACIVSA-N 374.338 2.817 0 50 FFAA Cc1cccnc1CCC(=O)N1C[C@H](C)CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1C 1875406623 ILEXNMLQGXPIEY-NRSFXHEJSA-N 357.498 2.674 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H](C)Oc1ccccc1OC 952971120 XBEISQCVYFYLCB-ZDUSSCGKSA-N 368.393 2.691 0 50 FFAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccc(-c3ccccc3)o2)C1 886088553 JAYBCKZVXOHQID-HXUWFJFHSA-N 352.438 2.645 0 50 FFAA CCN1CCO[C@@H](CNCc2cc3ccccc3o2)[C@@H]1c1nccn1C 886095386 URIZAKHTAKKKKP-RBUKOAKNSA-N 354.454 2.718 0 50 FFAA CC(C)CC(=O)N1CCCN(c2nccn3nc(C(F)(F)F)cc23)CC1 895039096 QVBSHJWEYCLTCD-UHFFFAOYSA-N 369.391 2.833 0 50 FFAA Oc1nccnc1N1CCC[C@H](NCc2ccccc2OC(F)(F)F)C1 275659919 UXMWEIDNRFNBPQ-ZDUSSCGKSA-N 368.359 2.839 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnc2c(cnn2C(C)C)c1 275723330 ZEJBXQIKVNXMRL-IRXDYDNUSA-N 354.458 2.848 0 50 FFAA CC(C)c1ccc([C@H](N)CNS(=O)(=O)Cc2ccc(Cl)nc2)cc1 170684763 ZFYPOHKIYDDIRQ-MRXNPFEDSA-N 367.902 2.978 0 50 FFAA COCCCNC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 170620553 WDHLDWCBYJDVCO-UHFFFAOYSA-N 353.484 2.543 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1c[nH]nc1C1CC1 190451769 PCFUHDTYYKYEQQ-INIZCTEOSA-N 368.437 2.847 0 50 FFAA CN1C[C@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1=O 192074514 JPEZZDZDGLDZDK-SECBINFHSA-N 360.763 2.942 0 50 FFAA CC1(C)CCCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 194165166 XACRJGDYKNKGDH-INIZCTEOSA-N 372.465 2.916 0 50 FFAA O=C(NCc1ccccn1)C1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506420110 URTJNCZMUPLNPX-OAQYLSRUSA-N 364.493 2.689 0 50 FFAA Cc1ccn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1529158868 OPVITHJSAVVQFK-XLIONFOSSA-N 364.449 2.504 0 50 FFAA CC1CCN(CC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1615737896 XCJZGNXNUOMRFH-WIYYLYMNSA-N 367.493 2.640 0 50 FFAA CC(=O)c1cnc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)nc1C 1704306492 NMADYCOPJRENBA-LJQANCHMSA-N 350.466 2.667 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)o1 1616071273 HPPBBVQHLDOEPQ-QAPCUYQASA-N 365.433 2.769 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@@H]2CNC[C@]2(CO)C1 1772710114 OKLVSYQZVJIUHI-ORAYPTAESA-N 360.841 2.562 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NC3CCN(C)CC3)nc2)n1 11841549 SYQBWURQOCKIES-UHFFFAOYSA-N 359.499 2.537 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3ccccc3Cl)CC2=O)cc1 12076045 SKSOAXLCCGDLPH-HNNXBMFYSA-N 372.852 2.922 0 50 FFAA Cc1ncc(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)n1C 12302512 TVCFJLAJZJKWIW-OAQYLSRUSA-N 370.472 2.882 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 13791374 OGMLTGLOFIJVCI-VIFPVBQESA-N 351.255 2.604 0 50 FFAA CO[C@H]1C[C@@H](C(=O)N2CCSCC2)CC[C@@H]1NC1Cc2ccccc2C1 1857693695 ILNKGWGOAHXOHO-IHPCNDPISA-N 374.550 2.503 0 50 FFAA Cc1ccc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3nnc(C(C)C)s3)C2)c1 1857710961 DIDXFGKXEOOHAI-OAHLLOKOSA-N 372.494 2.948 0 50 FFAA COc1ncc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1C(N)=O 119838635 GSRWMUGGBXLQIY-HNNXBMFYSA-N 372.400 2.567 0 50 FFAA Cc1cc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)ccc1-n1cccn1 333466035 HLTSVEGPQPFNCN-FQEVSTJZSA-N 355.438 2.591 0 50 FFAA O=C(c1[nH]nc2c1CCCC2)N1CCN(Cc2ccccc2Cl)CC1 161565787 GHGRVXNGIUHMAF-UHFFFAOYSA-N 358.873 2.900 0 50 FFAA Cc1c(NC(=O)c2cc(C3CCNCC3)[nH]n2)cnn1-c1ccccc1 2325787798 XOGXCWHWKPJDIW-UHFFFAOYSA-N 350.426 2.623 0 50 FFAA Cc1ccc(C(F)(F)C(=O)N2CCN(C(=O)c3ccsc3)CC2)nc1 2325789725 JGHKPFQSTQCDFF-UHFFFAOYSA-N 365.405 2.528 0 50 FFAA O=C(NCc1cnc(Br)cn1)[C@H]1CCNc2ccccc2C1 2325892944 VGMPJGOJOQAATM-LBPRGKRZSA-N 361.243 2.530 0 50 FFAA O=C1CS(=O)(=O)c2cc(NC(=O)[C@H](F)CC3CCCCC3)ccc2N1 874889333 NBQRYPCATAIUJP-CYBMUJFWSA-N 368.430 2.659 0 50 FFAA CO[C@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)C1(C)C 893525158 RUYXDRWPJFUMOP-KZDUYQQSSA-N 374.485 2.824 0 50 FFAA O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1 786482 SFPBSEDGDUJCNI-UHFFFAOYSA-N 355.755 2.537 0 50 FFAA Cc1cc(N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)nc(-c2ccccc2O)n1 2356137971 COHHYLFBBBVCCI-XHSDSOJGSA-N 366.465 2.851 0 50 FFAA Cc1cc(C)cc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 2983651 AGPADZWFXXVPMH-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA O=C(CF)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 3155617 XZGRNAHHWWPNSA-VIFPVBQESA-N 358.653 2.755 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4840147 SKDIXXFLVGQKKA-HNNXBMFYSA-N 354.406 2.565 0 50 FFAA O=C(c1cc(C2CCCCC2)n[nH]1)N1CCC[C@H](CN2CCOCC2)C1 134367230 QWYCPYMHCQWEDC-MRXNPFEDSA-N 360.502 2.642 0 50 FFAA COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(C)cs3)n2)cc1 9066321 RNLOOKBWRYUFFE-UHFFFAOYSA-N 361.452 2.976 0 50 FFAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 54253814 CGGGANDSNBKONG-LBPRGKRZSA-N 364.751 2.935 0 50 FFAA COc1c(C)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1C 247663724 QEUIWONYOKLWIT-GUYCJALGSA-N 363.483 2.780 0 50 FFAA O[C@H](COCc1ccco1)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 247801643 WCPDWXVUHGURBJ-WMZOPIPTSA-N 359.422 2.765 0 50 FFAA CC(C)Cn1cncc1CN1CCN(Cc2ccsc2)[C@@H](CCO)C1 106958933 RFVOLTQYXADRFR-SFHVURJKSA-N 362.543 2.669 0 50 FFAA c1nc(N2CCC(Cn3cc(C4CCCCC4)nn3)CC2)c2nc[nH]c2n1 67804955 XJSURZWSLAENRD-UHFFFAOYSA-N 366.473 2.909 0 50 FFAA Cc1ccccc1C[C@@]1(C2CCNCC2)NC(=O)N(C2CCCC2)C1=O 67884687 JLDVZTGVJCKQIO-NRFANRHFSA-N 355.482 2.770 0 50 FFAA COc1cc2c(cc1C)[C@@H](c1ccc(OCC(N)=O)c(Cl)c1)CC(=O)N2 65494872 VEHOLFNXGOUBDW-GFCCVEGCSA-N 374.824 2.995 0 50 FFAA CC(=O)c1ccc(N2CCc3nnc(CCc4ccccc4)n3CC2)nc1 67560130 IYRIGOQGNZIGBA-UHFFFAOYSA-N 361.449 2.724 0 50 FFAA CCN1CCC(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 219099440 OUOHKRCVSSNPMJ-CNBHCMJISA-N 367.493 2.895 0 50 FFAA O=S(=O)(C[C@@H]1CCCCO1)Nc1ccccc1-c1nc(C2CC2)n[nH]1 150840941 PTYQCNQQNIHQFR-ZDUSSCGKSA-N 362.455 2.660 0 50 FFAA CN(CC[C@@H]1CCCCO1)c1nc(-c2ccncc2)nc2c1cnn2C 72145292 PDEXNVHXGUDQRC-HNNXBMFYSA-N 352.442 2.821 0 50 FFAA CCOC(=O)C[C@H]1CCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 125079481 BXXNXJRKMBLVHP-SNVBAGLBSA-N 351.403 2.549 0 50 FFAA COc1ccc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)nn1 283886984 COFNNGDUNOWEQM-UHFFFAOYSA-N 360.845 2.800 0 50 FFAA C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 151987408 BGHWZBWHMFRZOA-RDJZCZTQSA-N 373.497 2.804 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 215105311 UBRJRAPSQDGUEE-UHFFFAOYSA-N 360.479 2.993 0 50 FFAA CC[C@@H](C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F)n1nc(C)c(Cl)c1C 6554829 UKKMRRXBOJICHU-GXFFZTMASA-N 366.771 2.964 0 50 FFAA NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cnc(C2CCCCC2)nc1 216110425 HWHAQRDYZKRUJB-IBGZPJMESA-N 350.466 2.937 0 50 FFAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1cc(F)ccc1Cl 328641373 XVGAJTZZKDNUFT-NSHDSACASA-N 357.838 2.559 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 71730245 NKOLZBBBZZRCLY-KRWDZBQOSA-N 372.465 2.713 0 50 FFAA O=C(NC[C@@H]1CCC[C@H](O)C1)NC1CCN(CCc2ccccc2)CC1 173740751 ZQXMAFXISVZCKY-QUCCMNQESA-N 359.514 2.544 0 50 FFAA COc1cccc(C2CCN(C(=O)C(C)(C)N3CCOCC3)CC2)c1F 366975372 KXTRFSXRYZAZIM-UHFFFAOYSA-N 364.461 2.651 0 50 FFAA O=C(c1cccnc1SC/C=C/c1ccccc1)N1CCOC[C@H](O)C1 77564348 CFHWAWCPLBQHJA-ZGRWHYIRSA-N 370.474 2.720 0 50 FFAA COc1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)[C@@H](C)C2=O)cc1 72164996 YKRYRQSOORKYDO-HNNXBMFYSA-N 368.433 2.704 0 50 FFAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2ncnc3ccsc23)CC1 126652442 JFWNTGHSDOSEGC-LLVKDONJSA-N 371.466 2.748 0 50 FFAA CC(C)C(=O)N1CCC(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 173920344 WFUQUOHHBFMAHO-SFHVURJKSA-N 357.498 2.908 0 50 FFAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2nc3ccccc3n2C)C1 492907315 NNHWNHKDQXNYOJ-DOMZBBRYSA-N 354.376 2.605 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 77341448 QPHFPSLLSYGEOG-LBPRGKRZSA-N 369.450 2.607 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 77385463 SLAXJNJGUJENJG-AWEZNQCLSA-N 359.445 2.873 0 50 FFAA Cc1ccc(C(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)c(C)c1 72446935 NZGGCOMPXWHSJF-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cnccn2)CCC(=O)N1Cc1ccc(F)cc1 71748424 BPICBARJMQURPN-GOSISDBHSA-N 370.428 2.515 0 50 FFAA CN(C)C(=O)c1nc(CN2CCC[C@@H]2c2nc3ccccc3s2)no1 72153638 KQOCUIPKVBOJSC-GFCCVEGCSA-N 357.439 2.718 0 50 FFAA CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)cn1 175461913 LHYSMSGMRSJVRH-LJQANCHMSA-N 360.502 2.804 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N[C@H](c1nccn1C)C1CCOCC1)CC2 286601267 ASYHDTBDPKFGRN-HKUYNNGSSA-N 369.465 2.743 0 50 FFAA O=C([C@@H]1CCOC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 15068841 QTMHMDSMFDERJS-OAHLLOKOSA-N 371.399 2.886 0 50 FFAA O=C(NC[C@H]1COc2ccccc21)N1CCC2(C1)Oc1ccccc1O2 289497519 YWVQAZWTDILMTK-AWEZNQCLSA-N 352.390 2.746 0 50 FFAA O=C(N[C@H]1CCCNC1=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 426624776 OBKJZQXNOIYNJU-INIZCTEOSA-N 360.360 2.963 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCN(c2ccccc2F)C1 82097096 AFHJQHCECFMUJW-INIZCTEOSA-N 358.461 2.751 0 50 FFAA O=C(O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 222361405 YNTBTPABLYDVKK-ZDUSSCGKSA-N 368.836 2.880 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)CCCc1ccccc1)CC2 91943209 LTIXGMQUOSDKLR-UHFFFAOYSA-N 372.509 2.887 0 50 FFAA O=C([C@H]1CCO[C@@H]1c1ccncc1)N1CCO[C@H](c2cccc(F)c2)C1 293024197 FQXJRUVMTBVCRY-GBESFXJTSA-N 356.397 2.898 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)sc1Cl 91391510 IQLJVMISFGXFAR-LBPRGKRZSA-N 369.918 2.945 0 50 FFAA CN1CCC(n2nc(COc3ccccc3)nc2[C@H]2CCN(C)C2)CC1 95531684 MFWFFWFQTBGXTQ-INIZCTEOSA-N 355.486 2.543 0 50 FFAA O=C1CC2(CCCCC2)CN1CC(=O)N1CCCC[C@@H]1CCn1cccn1 95513235 ARCMMXTWRKLOMM-GOSISDBHSA-N 372.513 2.837 0 50 FFAA CCOc1cc(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)on1 294826477 DTGGPOFCJRODMQ-CQSZACIVSA-N 354.366 2.705 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)N[C@@H](CO)[C@@H](O)c1ccccc1 96150077 LKQBFKBYPSGHOK-IRXDYDNUSA-N 358.442 2.523 0 50 FFAA CCC[C@]1(CO)CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1 92002017 ZYXIXEWSKHGZAQ-FQEVSTJZSA-N 359.470 2.539 0 50 FFAA CC(C)c1n[nH]c2c1CN(CCC(=O)Nc1ccsc1C(=O)O)CC2 243901236 BADQZAFLZVZJDA-UHFFFAOYSA-N 362.455 2.680 0 50 FFAA CCOc1ncccc1NC(=O)N1CCN(c2nccc(C(C)C)n2)CC1 184128588 BMZLZQHDDRYCEU-UHFFFAOYSA-N 370.457 2.748 0 50 FFAA O=C(NCCc1nc2ccccc2o1)N1CCC[C@@H](Cn2ccnc2)C1 534668551 AFNMEUIIFXUONA-HNNXBMFYSA-N 353.426 2.689 0 50 FFAA O=C(c1cc(-c2cc(OC(F)(F)F)ccc2O)c[nH]1)N1CCOCC1 534676004 FYPHHVNYEXVHEK-UHFFFAOYSA-N 356.300 2.758 0 50 FFAA Cc1ccc(-c2noc([C@H](C)NC(=O)C3(Cn4ccnc4)CC3)n2)cc1 299790590 CMLDDEWBWYDCQO-AWEZNQCLSA-N 351.410 2.899 0 50 FFAA COc1ccc(NC(=O)N[C@H](C)c2nncn2C2CCCC2)c(OC)n1 299801057 YBZUXCVIDTUXDL-LLVKDONJSA-N 360.418 2.688 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 299760712 WXWSEZCTOWJOBK-UHFFFAOYSA-N 370.428 2.977 0 50 FFAA Cc1ncn(CCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 584903223 BPKBNBDLOYADSY-RMKNXTFCSA-N 367.497 2.541 0 50 FFAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3C(F)(F)F)C2)o1 952888217 NMESDPCJSXRYLU-BDAKNGLRSA-N 357.336 2.515 0 50 FFAA O=C(c1ccncc1Cl)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848642 QBQFGJXUWFGQNU-KGLIPLIRSA-N 357.845 2.996 0 50 FFAA CN1CC[C@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 1875259855 NCHFLDUSIIRHFV-STQMWFEESA-N 362.271 2.954 0 50 FFAA COc1ccc(C[C@H](CN)CO)cc1-c1ccc(-n2cc(C)cn2)cc1 1875318040 BEIFDQDOYMWGTI-QGZVFWFLSA-N 351.450 2.966 0 50 FFAA O=C([C@H]1CCC2(CCCCC2)NC1)N1C[C@@H](Cn2cnnc2)C2(CCC2)C1 1875404276 CCTFXKKDAULMTL-ZWKOTPCHSA-N 371.529 2.609 0 50 FFAA Cc1noc(C)c1S(=O)(=O)NC(=O)c1csc(C2CCCCC2)n1 408498137 JZBRJBVESUBOQG-UHFFFAOYSA-N 369.468 2.914 0 50 FFAA O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 408499289 LUBHYONKHCYFLD-OTQSUOKKSA-N 353.406 2.990 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccnc4ccccc34)CCO2)o1 275317559 IVPXRWKUNJTPLQ-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA CCCNC(=O)C1CCN(C(=O)N[C@@H](C)c2csc(CC)n2)CC1 171857511 YYEQZJZOQIXQJL-LBPRGKRZSA-N 352.504 2.714 0 50 FFAA Cc1nc(C)c(CCC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(=O)[nH]1 190683897 YCILPYSKEBQGKR-CYBMUJFWSA-N 359.392 2.756 0 50 FFAA COc1ccc2c(NC(=O)[C@@H]3CCCCN3C(=O)c3ccco3)n[nH]c2c1 194789779 GXEJENWWNZAIQK-HNNXBMFYSA-N 368.393 2.798 0 50 FFAA O=C1NCCN(Cc2cc(-c3cccnc3)no2)[C@H]1c1ccc(F)cc1 1506401640 KVDQHHRPCJMPGA-SFHVURJKSA-N 352.369 2.549 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 213047173 FGAORAPXMUMGEU-SJORKVTESA-N 361.486 2.792 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3nc(C)oc3C)C[C@@H]2NC(=O)C2CC2)cc1 222156285 YCWFWXPDIUADKE-MSOLQXFVSA-N 367.449 2.734 0 50 FFAA Cc1ncc(CN(CC(=O)O)C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)[nH]1 1704324624 BMNRLTHEDJSAQN-LJQANCHMSA-N 359.401 2.638 0 50 FFAA O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCOCC1)c1ccco1 915836 NCJOZKXYOBPEPY-NTCAYCPXSA-N 360.797 2.563 0 50 FFAA COc1ccccc1-c1ncc(CN2C[C@@H]3COCC[C@]3(CO)C2)s1 1772706911 PVFHZFMXDYNENA-AUUYWEPGSA-N 360.479 2.650 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC(Cc2ccc(O)nc2)CC1 1772807937 CZCTTYAAWUAOAR-UHFFFAOYSA-N 368.481 2.803 0 50 FFAA COc1cccc(N2C(=O)CN(Cc3ccc(OC)cc3OC)C[C@H]2C)c1 12149069 XRMOUIKFOBWSPS-OAHLLOKOSA-N 370.449 2.950 0 50 FFAA Cc1ccc(C(=O)NCc2nnc(SCc3ccccn3)n2C)cc1 12166707 ICKHJEJUIOWQKJ-UHFFFAOYSA-N 353.451 2.741 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC[C@H]2CCO)no1 12301291 MAERWFZTIWBCGF-HNNXBMFYSA-N 368.437 2.758 0 50 FFAA Cc1ccc2nc3c(cc(C(=O)N4CCc5ccccc5C4)n3C)c(=O)n2c1 12421574 ZVRIQNJQXBLAAE-UHFFFAOYSA-N 372.428 2.693 0 50 FFAA CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1c(=O)[nH]c2ccccc2c1=O 13552720 UYTFMDHWXFVHME-OAHLLOKOSA-N 357.797 2.933 0 50 FFAA CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@H](NCC1CC1)C2 14534227 PWBBAKGWABSLMC-INIZCTEOSA-N 356.470 2.625 0 50 FFAA CCC(=O)Nc1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1OC 16579614 ARGCSDAYEYSGGS-UHFFFAOYSA-N 374.462 2.791 0 50 FFAA O=C1c2ccccc2C(=O)N1CN1CCN(c2cccc(Cl)c2)CC1 19841868 ZUWWNGMIGGMNEF-UHFFFAOYSA-N 355.825 2.716 0 50 FFAA CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860072 DJDNUZNWJGNYHS-ZFWWWQNUSA-N 372.918 2.797 0 50 FFAA O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)OCc1ccccc1 19864939 AVUWVCUVYYVFCY-GFCCVEGCSA-N 367.660 2.941 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)CCCc1ccccn1 1857532573 OPBCUQXBMPSQHR-WMZOPIPTSA-N 369.469 2.721 0 50 FFAA CN(C)CCn1ncc(C(=O)NCC2(O)CCCCC2)c1-c1ccccc1 241719783 QPOMEUOVHVJSBB-UHFFFAOYSA-N 370.497 2.537 0 50 FFAA CNS(=O)(=O)c1ccc([C@@H](C)Nc2ncnc3c(F)cccc23)cc1 252487856 ICPZQFYNKNGNBF-LLVKDONJSA-N 360.414 2.850 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CN1CC(F)(F)F 164122848 LOOXOCVGSZSOJF-UKRRQHHQSA-N 369.387 2.500 0 50 FFAA COc1ccc(C(=O)NS(=O)(=O)CC2CCC2)cc1-c1ccccn1 164888814 FHYICIBIMCEZBX-UHFFFAOYSA-N 360.435 2.617 0 50 FFAA C[C@H](N[C@@H](C)c1cn(C)nn1)c1ccc(NC(=O)c2ccncc2)cc1 902802802 CJBQCPZDLBPVIG-KBPBESRZSA-N 350.426 2.874 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 706425 HPDOYDSJYJHZDQ-HIFRSBDPSA-N 350.802 2.690 0 50 FFAA c1ccc2c(c1)N=C(N1CCN(Cc3nc[nH]n3)CC1)c1ccccc1O2 2325760093 NMHSTHCINHOLMY-UHFFFAOYSA-N 360.421 2.807 0 50 FFAA CC1(C)C[C@@H](NC(=O)c2ccc3cccnc3c2)CN1C(=O)[C@@H]1C[C@H]1F 2325871220 CEBYNEPXQUEOJJ-BZUAXINKSA-N 355.413 2.702 0 50 FFAA O=C1CS(=O)(=O)c2cc(NC(=O)[C@@H](F)CC3CCCCC3)ccc2N1 874889334 NBQRYPCATAIUJP-ZDUSSCGKSA-N 368.430 2.659 0 50 FFAA COc1cc2nc(NC3CCN(C(C)(C)C)CC3)nc(N)c2cc1OC 110250147 SRSYLABMYGAOML-UHFFFAOYSA-N 359.474 2.904 0 50 FFAA COc1cccc(C2=NN(C(=O)c3ccncc3)[C@](O)(C(F)(F)F)C2)c1 910779 KMPFBRCJZBJHMV-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA O=C1C[C@H](c2ccc(N3CCOCC3)cc2)c2cc3c(cc2N1)OCO3 1059265 RRQXJOOQUXLEHC-OAHLLOKOSA-N 352.390 2.726 0 50 FFAA COc1ccc(C)cc1NC(=O)CSc1nnnn1-c1ccccc1 1108786 DVJKABLZSJKALR-UHFFFAOYSA-N 355.423 2.710 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1cc(OC)c3c(c1)OCO3)CC2 2110313 ROFIRKIBIJYUIF-UHFFFAOYSA-N 357.406 2.999 0 50 FFAA biogenic CN1C[C@H]2C[C@@H](N(C)C(=O)Cc3cc(F)cc(Cl)c3)C[C@H]2CC1=O 2356149027 FVRCVEGVAGRAGZ-ZENOOKHLSA-N 352.837 2.737 0 50 FFAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 2862154 JNDNPBRGNBHMTR-UHFFFAOYSA-N 368.418 2.769 0 50 FFAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 2865367 FBVNPSFBODNCJW-AWEZNQCLSA-N 352.390 2.758 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 2875282 JUCBCWJYKBCPSX-MRXNPFEDSA-N 372.490 2.734 0 50 FFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(I)cc1 4610423 CNBCFMDYNFYBIT-RYUDHWBXSA-N 371.174 2.897 0 50 FFAA CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OCC 4650765 YAPOTVSJJFQZJS-MRXNPFEDSA-N 364.467 2.840 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)[C@H](C(=O)O)C1 4902951 ZSIOQPWHGGVIDW-VXGBXAGGSA-N 362.451 2.721 0 50 FFAA O=C1Nc2ccccc2[C@](O)(C(=O)N2CCCCC2)N1c1ccccc1 4949599 ATHPZOHFMQWJKT-FQEVSTJZSA-N 351.406 2.896 0 50 FFAA CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC 6944296 FECCUEVHKQNNCW-POHAHGRESA-N 357.229 2.995 0 50 FFAA CCCn1nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)ccc1=O 225612946 RSSVMIGTXZVHLX-QMMMGPOBSA-N 360.361 2.620 0 50 FFAA CC(C)(CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(F)(F)F 225756452 JYGAQVFMYGZASA-UHFFFAOYSA-N 364.389 2.545 0 50 FFAA CCCn1cnnc1CNC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 55358320 ZVBMUYYEMIBUSW-UHFFFAOYSA-N 367.409 2.772 0 50 FFAA CC(C)Cn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21 100670473 PVXZFYTYJYJTMD-UHFFFAOYSA-N 351.406 2.688 0 50 FFAA CC(C)(C)CN1CCN(Cc2cc(O)c3ccccc3n2)C[C@H]1CCO 104348886 WMHDCRWFBUKCAO-QGZVFWFLSA-N 357.498 2.855 0 50 FFAA CCOC(=O)Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccccc3)c2[nH]1 101277009 FESMLXCXXBBNNS-UHFFFAOYSA-N 365.311 2.814 0 50 FFAA COC(=O)CCCC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20600139 BTRVIQAFVJVTKJ-CYBMUJFWSA-N 373.375 2.529 0 50 FFAA COc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 65361817 UYESPOXOLSHQRR-UHFFFAOYSA-N 370.457 2.627 0 50 FFAA CCCCn1nc2c(c1I)CC[C@@H](C(=O)OC)C2 252508844 XVSFXJOITIZXTQ-SECBINFHSA-N 362.211 2.566 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)ncc1Br 284509494 HWLJSHXVWONZLQ-JGGQBBKZSA-N 355.276 2.909 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c1 72147105 ZBSJTNBKYLEBCO-AWEZNQCLSA-N 369.437 2.732 0 50 FFAA COc1ccccc1/C=C/CN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328656929 ZUWZSFUPPBGEGM-RRGWEWPQSA-N 368.437 2.821 0 50 FFAA COc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)ccc1O 77356311 RIFPGQAFOPVXJR-OAQYLSRUSA-N 372.465 2.656 0 50 FFAA NC(=O)COc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 71439503 BVFBVJLWUUBWKT-GOSISDBHSA-N 360.841 2.778 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 216360773 WYUWAZXLYGGXLJ-FQEVSTJZSA-N 354.406 2.861 0 50 FFAA Cc1onc(-c2ccccn2)c1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 331891686 IWSIQSYSUDNSRI-OAHLLOKOSA-N 355.316 2.574 0 50 FFAA Clc1nccc(CN2CC[C@@H](Nc3ccc4nccn4n3)C2)c1Cl 365662270 NJGGXXJFWPWOQE-GFCCVEGCSA-N 363.252 3.118 0 50 FFAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 155649149 FDZXDVUCLCXGJB-SFHVURJKSA-N 366.417 2.887 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@H]1CC=CCC1)C(=O)N(C1CCCC1)C2 71762605 GVWHGDFIWIVTTG-AWEZNQCLSA-N 369.465 2.961 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)NC3CCCC3)CC2)n1C1CC1 77439875 QXTKNBNTBWANLJ-UHFFFAOYSA-N 360.506 2.506 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCCN(Cc2ccccc2F)CC1 77536534 JHTIHMGLQIPXBS-HXUWFJFHSA-N 370.424 2.700 0 50 FFAA CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCCN)C2)cc1 72440348 ZIQRJXGGNZFUIH-RBUKOAKNSA-N 357.498 2.612 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCc2[nH]nc(C3CCC3)c2C1 72148256 DXFWHOROPYVZNE-OAHLLOKOSA-N 350.466 2.953 0 50 FFAA C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC(C(=O)O)CC1 237497688 DESWYNDPBVWLDQ-SNVBAGLBSA-N 356.216 2.540 0 50 FFAA Cc1nccnc1N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 373026175 OUAHZRKZNWKMIZ-OAHLLOKOSA-N 360.508 2.526 0 50 FFAA CCOC(=O)CCNC(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 72165088 CTXUGEJOZQJLCP-GOSISDBHSA-N 361.486 2.938 0 50 FFAA O=C1CCCc2occ(C(=O)N3CCC4(CC3)c3ccccc3C[C@@H]4O)c21 72167288 GUBBEVWPTXGNDP-IBGZPJMESA-N 365.429 2.890 0 50 FFAA COc1cccc(-c2ncc(CN3CC[C@@]4(C3)CN(C)C(=O)O4)s2)c1 216462540 GEMBEIKKJIEYMO-SFHVURJKSA-N 359.451 2.845 0 50 FFAA CN1C[C@]2(CCCN(Cc3cc(=O)c4cc(Cl)ccc4[nH]3)C2)OC1=O 72120910 UOXHIPOPEAQDFO-SFHVURJKSA-N 361.829 2.598 0 50 FFAA O=C(c1ccnc(-c2ccc(Cl)cc2)n1)N1CCOC2(CCOCC2)C1 288164309 MDONDXHGMRTOKU-UHFFFAOYSA-N 373.840 2.819 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[C@H]1C1CCC1 175961189 PXRWKAIQCPURAO-KRWDZBQOSA-N 363.483 2.924 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cc(N)nc(SC)n2)cc1 426387594 CRHMTDREKOGQBY-HNNXBMFYSA-N 372.494 3.089 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)[C@@H]2CCc3ccc(OC)cc32)n1 292168165 ZTZJBCARPWFIDS-WBVHZDCISA-N 370.453 2.743 0 50 FFAA CCN1CCC[C@@H]1CSc1nnc(CNC)n1-c1cccc(OC)c1 426423040 NTNDMMRIFDXCGS-OAHLLOKOSA-N 361.515 2.572 0 50 FFAA CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2cnn(CC)c2)cn1 20602717 DSXZPXNVYGCJCV-UHFFFAOYSA-N 373.482 2.511 0 50 FFAA COc1ccc(CCC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC 82134593 YHDJZGCJYOYAEJ-INIZCTEOSA-N 368.433 2.558 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)[C@H]1CC[C@@H](O)CC1 222882826 XTUKGHXGWUTXHC-JKUNPZTLSA-N 354.450 2.714 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)N[C@H](Cn1cccn1)c1ccccc1 426582723 BVUSRJXHWQZZCW-QGZVFWFLSA-N 367.457 2.638 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)cc2)c(C)n1 426361323 YZFBRVFFVAJWFU-UHFFFAOYSA-N 374.444 2.924 0 50 FFAA COc1ccc(OCCCN)c(C(=O)N[C@H]2COC3(CCCCC3)C2)c1 426465224 OYMZXJBMWKVRLM-OAHLLOKOSA-N 362.470 2.644 0 50 FFAA COc1cccn(CC(=O)N(Cc2ccc(SC)cc2)C2CC2)c1=O 95497880 VKOVQZQOSBWNQU-UHFFFAOYSA-N 358.463 2.770 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1=O 91737830 FCYZFIVUZBCXGG-HNNXBMFYSA-N 361.461 2.511 0 50 FFAA CC(C)Cc1nc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cs1 333025758 AMYQVPCOFPBWND-UONOGXRCSA-N 357.479 2.763 0 50 FFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCC(N2CCSCC2)CC1 97785290 BRQADJNVQSKKJN-QGZVFWFLSA-N 360.523 2.668 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1cc(C)nc3onc(C)c13)CC2 95372693 IADHNBSVYGQUPG-HNNXBMFYSA-N 359.426 2.640 0 50 FFAA O=C(O)[C@@]12CN(Cc3ccc(F)cc3F)C[C@@H]1CN(C1CCCC1)C2 96150813 PVRUJAIMMCAQTA-AUUYWEPGSA-N 350.409 2.726 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1ccc2nc(C)c(C)nc2c1 96159835 OIFHGKXIPVBZQP-UHFFFAOYSA-N 368.441 2.661 0 50 FFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cnc(-c2cccnc2)nc1 95386211 JYSPAXKMHSGRMF-CQSZACIVSA-N 359.311 2.967 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N(C)CC[C@@H](O)c1ccccc1 97743031 RUZSLEWQMCDRFH-LJQANCHMSA-N 369.465 2.905 0 50 FFAA CC(C)(N)c1cn(C2CCN(Cc3cccn3-c3nccs3)CC2)nn1 23380398 HGGRGVSLAVCPFK-UHFFFAOYSA-N 371.514 2.556 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N[C@H](C)c2cc(F)cc(F)c2)cc1 97505364 ASAZBFWDYQVMFF-LLVKDONJSA-N 357.364 2.799 0 50 FFAA CC(C)c1noc([C@@H]2CCCN(C(=O)c3cc(-c4cccn4C)n[nH]3)C2)n1 91665659 BCSIDWUCEFDEBC-CYBMUJFWSA-N 368.441 2.941 0 50 FFAA COCc1noc(CNC(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)n1 96151129 AZMCAIMSSAVTOJ-CQSZACIVSA-N 373.457 2.912 0 50 FFAA COc1c[nH]c(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1=O 97636700 NDIDDYVYWAYMOM-AWEZNQCLSA-N 372.812 2.891 0 50 FFAA COc1ccccc1CCNC(=O)CN1CCCC[C@H]1c1cc(C)on1 244858423 VKXDANCUALSKCG-SFHVURJKSA-N 357.454 2.878 0 50 FFAA CC(C)CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 245297221 QSPUODWHQMJTCS-DRMAHVMPSA-N 361.463 2.619 0 50 FFAA aggregator C[C@H](C(N)=O)n1cc(-c2cccc(C(=O)NCCCc3ccco3)c2)cn1 534637816 LPYYPTIEVODURJ-CQSZACIVSA-N 366.421 2.552 0 50 FFAA Cc1cc(C2CCC2)nc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)n1 534577622 AYECRNHQPZFCPS-KRWDZBQOSA-N 364.449 2.728 0 50 FFAA O=C1CCCCCN1CC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 55340966 JEQWURNLACXMDI-MRXNPFEDSA-N 350.484 2.658 0 50 FFAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 299759486 SHHXDPFBTQGABO-GFCCVEGCSA-N 358.829 2.784 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@H](CC)c2cn3cccnc3n2)c1CC 299757808 JPJYMLBFJZRZIK-CQSZACIVSA-N 355.446 2.860 0 50 FFAA CC(C)c1ccc(-c2noc(CN3CCNC[C@H]3c3ccnn3C)n2)cc1 1875298708 KXBVAIWRSZRTAR-SFHVURJKSA-N 366.469 2.740 0 50 FFAA COc1c(C(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)oc2ccccc12 1875263319 YQCXCDJMDQEJPR-UHFFFAOYSA-N 367.405 2.804 0 50 FFAA COc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H]3C)c1 1875280043 QZKHFKGXOGQVOY-ZDUSSCGKSA-N 374.462 2.990 0 50 FFAA CCC(CC)c1nc(-c2ccnc(-n3cncn3)c2)nn1CCCN(C)C 1875325459 YDAKGZQETCXLEF-UHFFFAOYSA-N 368.489 2.776 0 50 FFAA O=C(NCCc1c[nH]c2cc(F)c(F)cc12)c1cc2n(n1)CC1(CC1)C2 1875301241 GXJKTSSKHNHKLT-UHFFFAOYSA-N 356.376 2.951 0 50 FFAA Cc1cccc(CN(C(=O)N(C)c2nc(C)no2)C2CCN(C)CC2)c1 1875328972 VPHYTXQRZDTIKP-UHFFFAOYSA-N 357.458 2.839 0 50 FFAA COc1ccc2c(c1)c(C(=O)NS(C)(=O)=O)c(C)n2C1CCCC1 1875391094 MZFFDBUJWNPPFR-UHFFFAOYSA-N 350.440 2.763 0 50 FFAA CN(CCN1CCOCC1)C(=O)c1ccc(N2Cc3ccccc3C2)cc1 952983231 VKYJHCCXTQCKLP-UHFFFAOYSA-N 365.477 2.611 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCc4c(c(C(N)=O)nn4C)C3)cc2)cc1 952860947 VOAWWKYESTVKRW-UHFFFAOYSA-N 374.444 2.693 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CCCN2CCCCC2=O)cc1 952965369 DZRBZUSDFHLBHL-HNNXBMFYSA-N 357.454 2.933 0 50 FFAA CO[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)C[C@H]1c1cn(C)nn1 886093721 FAMVFUQNIKEKAO-DOTOQJQBSA-N 357.845 2.631 0 50 FFAA O=C(N[C@@H]1CCCc2c(O)cccc21)N1CCC(Oc2cnccn2)CC1 888102478 RWUWBQCDEGGPFQ-QGZVFWFLSA-N 368.437 2.813 0 50 FFAA CC/C=C/CC(=O)N[C@H]1C[C@@H](C(=O)NCC)N(Cc2cc(C)cc(C)c2)C1 96153144 JYUDPLJWPKIYRI-RLFQVEEXSA-N 371.525 2.855 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CCO1 408513467 SAQVZGVFKOVJPQ-MRXNPFEDSA-N 363.316 2.683 0 50 FFAA COc1ccnc(N2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)c1 270445924 CBWKBPGKNICBLW-SFHVURJKSA-N 367.449 2.557 0 50 FFAA C[C@@H]1C[C@@H](CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 273165512 OCLDOQSFUMZZJP-MNOVXSKESA-N 366.405 2.970 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)o1 275370274 NWKUTUCCXTZBSG-MRXNPFEDSA-N 352.394 2.955 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3Cl)CCO2)cn1 189228896 JZANAXOYRMWMAH-OAHLLOKOSA-N 369.874 2.627 0 50 FFAA COc1ccccc1-c1nc(CN2CC[C@@H](C)S(=O)(=O)CC2)cs1 191733326 VDYXLPPJUMTJKL-CYBMUJFWSA-N 366.508 2.828 0 50 FFAA C[C@H](OC(=O)c1nnc(O)c2ccccc12)C(=O)N(C)Cc1ccccc1 746346751 PWODAUBLXHCQSE-ZDUSSCGKSA-N 365.389 2.539 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H](OCc2ccccn2)C1 1506420792 REXKNIDLFXMPCB-INIZCTEOSA-N 350.422 2.708 0 50 FFAA CCCC[C@@H]1CN(c2ccc(CS(C)(=O)=O)cn2)C[C@H](C2CC2)O1 1529099124 QSSCNVYEAZDNCE-IAGOWNOFSA-N 352.500 2.800 0 50 FFAA Cc1ncc(CN(CCN(C)C)Cc2cc(F)ccc2-n2cccn2)[nH]1 1704306614 WAQTZOWZLMPVAN-UHFFFAOYSA-N 356.449 2.607 0 50 FFAA Cc1ncsc1CCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 222088314 RDEUWJIGEAPIIU-MSOLQXFVSA-N 370.522 2.902 0 50 FFAA C[C@@H](CCn1cccn1)N1CCCN(C(=O)c2ccncc2Cl)CC1 1775983492 YUWYWXLNOBCCMB-HNNXBMFYSA-N 361.877 2.558 0 50 FFAA O=C(C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCC1 11963135 UCCGENINVPLIQL-NRFANRHFSA-N 372.440 2.778 0 50 FFAA COCCNc1nc(CN2CCCC[C@H]2C(=O)OC)nc2c(C)cccc12 14991866 KZNHSOKWIPIBRU-INIZCTEOSA-N 372.469 2.524 0 50 FFAA CCN1CCN(C(=O)CCC2CCN(C(=O)C3=CCCCC3)CC2)CC1 19789591 IBXNUDURAJTFDX-UHFFFAOYSA-N 361.530 2.670 0 50 FFAA CN1CCCC[C@H]1CC(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857681365 AZTMUWXOQJMSPY-SFHVURJKSA-N 366.509 2.889 0 50 FFAA COCC(=O)N1CCC[C@@]2(CN(CCC3CCCCCC3)CC[C@H]2O)C1 1857685582 YMDBAERVJTXJLQ-TZIWHRDSSA-N 366.546 2.669 0 50 FFAA O=S1(=O)CCC(N2CCC(n3ccnc3[C@@H]3CC=CCC3)CC2)CC1 1857701561 NYPOUMIMZSBJPE-MRXNPFEDSA-N 363.527 2.921 0 50 FFAA CC(C)c1nnc(N2C[C@@H](C(=O)NCCC3CCCC3)CC2=O)s1 1857710231 MYENKYDSRXZEBQ-ZDUSSCGKSA-N 350.488 2.711 0 50 FFAA O=C([C@H]1CCn2nccc2C1)N1CCC(c2nc3ccccc3o2)CC1 1857717879 CSDFHHMQNILTBM-HNNXBMFYSA-N 350.422 2.993 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4c(F)cccc4Cl)[C@@H]2CC(=O)N13 1857728623 JPXZRTGRJYBPAC-IYOUNJFTSA-N 366.820 2.677 0 50 FFAA CCCC[C@@H]1CN(C2CCN(C(=O)c3cnccn3)CC2)C[C@H](C(C)C)O1 1875247126 XOTFTMPFMYWZKO-UYAOXDASSA-N 374.529 2.997 0 50 FFAA N[C@H]1CCO[C@H](C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 333313661 SHSGPIJVEKBINZ-RDJZCZTQSA-N 354.853 2.767 0 50 FFAA CCOC(=O)c1nn(C)c2c1CN(Cc1c(C)[nH]c3ccccc13)CC2 14530748 XKHSELLWUJWLHF-UHFFFAOYSA-N 352.438 2.945 0 50 FFAA CC(C)c1ccc(CN2C[C@@H]3CC[C@H]2CN(S(=O)(=O)N(C)C)C3)cc1 247959511 PWRDQSJUTNJAOR-HKUYNNGSSA-N 365.543 2.513 0 50 FFAA Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 248177903 ZYXFXOGDLMEKPZ-SJORKVTESA-N 367.449 2.863 0 50 FFAA Cc1ocnc1C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 371577601 LOCDKLBMAZYRPN-UHFFFAOYSA-N 363.421 2.793 0 50 FFAA CC(C)(C)n1cc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cn1 264280069 ICDVFZWCZPMRIM-SFHVURJKSA-N 354.498 2.933 0 50 FFAA CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1 717802 QNYLUDDTSQMOHF-UHFFFAOYSA-N 362.451 2.630 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 979510 KQUIRGSLXMTXQS-UHFFFAOYSA-N 352.843 2.908 0 50 FFAA CO[C@]1(C(F)(F)F)C[C@H](CN[C@H]2CCN(c3ccccc3F)C2=O)C1 2325797709 NKYXOLHKUCPPNK-DETPVDSQSA-N 360.351 2.878 0 50 FFAA Cc1ccc2c(c1)C[C@@H](C(=O)Nc1nnnn1-c1ccccc1C)S2 2325879327 QSQBAONWWMDCRL-INIZCTEOSA-N 351.435 2.935 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1 868594364 KXNAQBKQHXHEDO-QGZVFWFLSA-N 352.438 2.810 0 50 FFAA COc1cc(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)ccc1C(=O)O 909731292 OCJVZSGVGXZUHQ-GFCCVEGCSA-N 358.369 2.998 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1 150746435 MTKICQSMKVULKZ-AWEZNQCLSA-N 363.417 2.724 0 50 FFAA CCOC(=O)[C@H](C(N)=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 754909 CQJOEYZLAPFYNQ-GOSISDBHSA-N 361.401 2.943 0 50 FFAA CCn1c2ccccc2c2cc(NC(=O)C(=O)NCCCN(C)C)ccc21 2826551 HDKZNYQCVCHOCS-UHFFFAOYSA-N 366.465 2.821 0 50 FFAA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC1CC1 3477464 BCVBZCSHAYEDKR-UHFFFAOYSA-N 351.431 2.756 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)CC1 4841136 PMRDMJMGWJZYCZ-CYBMUJFWSA-N 354.834 2.716 0 50 FFAA COc1ccc(C[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)cc1 20776524 PFAZOUAGXVGTRF-LJQANCHMSA-N 355.434 2.910 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2nc(Sc3ccccc3)ns2)CC1 110768783 IRKRAGQBBJZSLE-UHFFFAOYSA-N 362.480 2.886 0 50 FFAA C[C@H](CC1CCCCC1)N(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 55104343 HDMKHWKMAPWBNX-CYBMUJFWSA-N 366.483 2.997 0 50 FFAA CC(C)=CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@@H]1CCO 20774936 ULTOOKXCMGCFNU-KRWDZBQOSA-N 364.559 2.578 0 50 FFAA COCCn1c(C)cc(C(=O)Cn2c(C)nc3ccccc3c2=O)c1C 10821228 GGSNUHKWPLSVFG-UHFFFAOYSA-N 353.422 2.653 0 50 FFAA CC(C)c1noc(CCNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)n1 68162795 KLILRRXSRYDFAG-INIZCTEOSA-N 370.453 2.547 0 50 FFAA OCc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCOCC2)o1 65403533 OHVHFWKFIUCLPV-UHFFFAOYSA-N 353.422 2.635 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(F)cc2Cl)cc(-n2cccn2)n1 65363867 QRNIKRJQPJCVDS-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA C[C@@]1(O)CCN(C(=O)CCN2CCCCCC2=O)C[C@@H]1Cc1ccccc1 67834175 XYQBBCXZMZDEPE-SIKLNZKXSA-N 372.509 2.621 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccccc1-n1cccn1)c1ccc(F)cc1 65534345 VITPSNJSJQUNNZ-LJQANCHMSA-N 352.413 2.931 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)c1cccc(Cn2cccn2)c1 65370150 BXMZOVDKZUUFDP-UHFFFAOYSA-N 350.422 2.882 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)c2cccnc12 328425064 TWYIXFXONGMXHS-UHFFFAOYSA-N 356.403 2.971 0 50 FFAA CCN(CC)Cc1cc([C@@H]2CC(=O)NCc3nc(N)sc32)ccc1OC 65529447 OOBQFUILRJQDEM-AWEZNQCLSA-N 374.510 2.728 0 50 FFAA CN(Cc1nsc(N(C)C)n1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328650282 VNHGRLCQNDUHCE-JTQLQIEISA-N 374.436 2.514 0 50 FFAA C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3cccnc32)CC(=O)N1Cc1ccccc1 332922973 FFPTXMSNCZBVEK-LZQZEXGQSA-N 363.461 2.807 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2ocnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72146644 HWVMYYOEXHCGIA-BHIYHBOVSA-N 367.449 2.694 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4ccccc4c(O)n3)CCO2)o1 330311268 VQYAZYMRXCGDNG-HNNXBMFYSA-N 368.393 2.661 0 50 FFAA CC(=O)c1cnc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)s1 125241529 HGWAWFYFGAKNLD-AWEZNQCLSA-N 357.435 2.518 0 50 FFAA CC(=O)c1cc(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)cs1 216124870 MHPSLKWSGIENRH-UHFFFAOYSA-N 366.446 2.908 0 50 FFAA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)cc1 330951245 ICAIORUMEFIHPC-WMLDXEAASA-N 368.499 2.604 0 50 FFAA O=C(NCCNc1cc(-c2ccccc2)nc2ccnn12)c1ccncc1 72144197 NJVFQMIVMRSQPG-UHFFFAOYSA-N 358.405 2.633 0 50 FFAA Cc1ccc([C@H]2CCN(C(=O)[C@](C)(O)Cn3c(C)cccc3=O)C2)c(C)c1 332349551 YYTCORHWUDOHFG-PGRDOPGGSA-N 368.477 2.541 0 50 FFAA CC1CCN(c2ccc(C(=O)Nc3cnn(C[C@H]4CCCO4)c3)cn2)CC1 363094519 BHYGRVCHZOGSLV-GOSISDBHSA-N 369.469 2.946 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](N3CCCC3)C2)cn1 363108137 AHHCDZDWPLAFMJ-SFHVURJKSA-N 359.518 2.698 0 50 FFAA CC(C)c1ccc(CC(=O)N2CCn3nc(CCC(=O)O)cc3C2)cc1 72432075 KZJBPGJPYPMGJH-UHFFFAOYSA-N 355.438 2.609 0 50 FFAA O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 36723113 JHFAJCWNBPVQON-UHFFFAOYSA-N 370.540 2.845 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NC1(c2ccccc2)CC1 72480425 CYGDPRSOAMAUJK-IBGZPJMESA-N 355.526 2.988 0 50 FFAA COc1cccc([C@@H](C)N(C)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)c1 215812064 DDSTUYDWOHEUMK-CYBMUJFWSA-N 367.405 2.585 0 50 FFAA COc1ccccc1CN(C(=O)c1cccc(OCC(=O)O)c1)C1CC1 262233081 YSHDPQHBMIFKBE-UHFFFAOYSA-N 355.390 2.963 0 50 FFAA O=C(NCc1cc(F)ccc1C(F)(F)F)[C@@H]1CCCN1C1CCNCC1 216206540 DFJPUZSKEUIJPD-INIZCTEOSA-N 373.394 2.677 0 50 FFAA Cc1cccc(CN2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1 72478767 WYQTZLNAMXPTIZ-UHFFFAOYSA-N 356.470 2.960 0 50 FFAA CC[C@H]1CN(Cc2ccc(OCC(N)=O)c(Cl)c2)CCN1C(C)C 72145154 CHZCNZOWLKVPTD-HNNXBMFYSA-N 353.894 2.509 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cn(-c2ccccc2)nn1 72165360 AAUCQDRBWHMJOH-AWEZNQCLSA-N 364.405 2.872 0 50 FFAA O=C(NC1(CN2CCCC2)CCCCC1)c1cccc(-n2cnnc2)c1 216477727 JZIUFXZGMBBLKP-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cc[nH]n2)CC1 283924737 FGVRRQLCVLBSNX-UHFFFAOYSA-N 353.426 2.521 0 50 FFAA CC(C)c1nc(N2CCc3[nH]c(-c4ccc(C(=O)O)cc4)nc3C2)no1 222678962 CWMFMRAALRLLLU-UHFFFAOYSA-N 353.382 2.844 0 50 FFAA Cc1cc2c(cc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1)OCCO2 223938079 DSSJWFZZZOSZES-QGZVFWFLSA-N 368.433 2.983 0 50 FFAA Cc1ccccc1CSCC(=O)NCCc1nc(C(=O)O)cs1 221262255 MDCHNYJAGYBRID-UHFFFAOYSA-N 350.465 2.742 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1CCC(CCn2cccn2)CC1 221251679 AETBQZCBRQOFCF-UHFFFAOYSA-N 359.495 2.910 0 50 FFAA CC(C)c1nccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 223133359 BJKSUKYPDMPKEL-UHFFFAOYSA-N 354.454 2.647 0 50 FFAA CCOC(=O)c1cncc(-c2ccc(C(=O)NC[C@@H]3CCOC3)cc2)c1 426602588 ZMCWJEUAQFAXCH-AWEZNQCLSA-N 354.406 2.692 0 50 FFAA COc1cc2c(cc1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 19758811 AGSOWAZSCZVVDU-UHFFFAOYSA-N 369.417 2.846 0 50 FFAA biogenic Cc1ccc(N(C)C)cc1NC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 426588963 KCJXZIKOQCKRBG-GOSISDBHSA-N 370.428 2.905 0 50 FFAA CC[C@H](OC)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 82096678 PEPFBTDZVBIRBA-IBGZPJMESA-N 352.434 2.954 0 50 FFAA CC(C)(C)c1ccc(OC[C@@H](O)CNC(=O)NCc2ccc(O)cc2)cc1 426380153 RYOATZNXIXKLGH-SFHVURJKSA-N 372.465 2.929 0 50 FFAA CSCC[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)C(=O)O 426658510 QRDVZPWGWNKQLS-CQSZACIVSA-N 353.419 2.655 0 50 FFAA O=C(CCCc1cccs1)N1C[C@H](CO)C[C@H](CN2CCCC2)C1 91574443 XJASYQFFSNWCKM-IAGOWNOFSA-N 350.528 2.624 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)CN2[C@@H](C)CCC[C@H]2C)C[C@H]1C(=O)O 91877203 UEWIOCUWMIOLIK-CIRFHOKZSA-N 374.481 2.585 0 50 FFAA COc1ccc([C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)c2ccncc2)cc1 91708171 KVHKJTVGOJIRDX-LJQANCHMSA-N 363.417 2.915 0 50 FFAA CSCc1noc(CNc2ncnc3c2Cc2ccccc2OC3)n1 96153448 ZFBVMQCTVZDSLN-UHFFFAOYSA-N 355.423 2.818 0 50 FFAA CCN1CCC(CC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 95363257 XGWOXMCCIQLLGI-INIZCTEOSA-N 358.404 2.977 0 50 FFAA CC[C@H]1CCC[C@@H]1NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1 162587781 ICJGQTDJONMMIN-WFASDCNBSA-N 360.483 2.937 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c(O)c1 91738392 YZMAPPLGQZOULM-DLBZAZTESA-N 367.449 2.532 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 293669066 IISOYSPJVCYZQQ-AWEZNQCLSA-N 370.371 2.671 0 50 FFAA Cc1ccc([C@@H](C(=O)NCc2noc(Cc3cccs3)n2)N(C)C)cc1 91932543 CMLDMUVLYWMKKO-SFHVURJKSA-N 370.478 2.949 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1Cl 180285411 KKWORYHDPGZPTM-AWEZNQCLSA-N 364.854 2.732 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 91931485 FKFHUCATWCDVLM-KRWDZBQOSA-N 356.466 2.514 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 95511843 JEFKWVIOYMMIFQ-CQSZACIVSA-N 372.473 2.654 0 50 FFAA COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)ccn1 92021361 ZJLSQAADANLBLX-AWEZNQCLSA-N 351.366 2.513 0 50 FFAA Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 294918764 CLUUZQMGPSYLDU-WBVHZDCISA-N 357.841 2.570 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)[nH]n2)o1 244719113 LXGXIXMWIQQJJY-JCGVRSQUSA-N 352.394 2.615 0 50 FFAA Cc1cccc(C2(NC(=O)c3cn(CC4(C)COC4)nn3)CCCC2)c1 184633435 GNPPVKRCCYSUIM-UHFFFAOYSA-N 354.454 2.822 0 50 FFAA C[C@@H]1C[C@@H](S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 296404934 UXVDZGOTBBCSPY-NEPJUHHUSA-N 370.471 2.936 0 50 FFAA C[C@H]1C[C@@H](S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 296404941 UXVDZGOTBBCSPY-RYUDHWBXSA-N 370.471 2.936 0 50 FFAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)N1CCCN(Cc2cccs2)CC1 534673011 JEOJXRZGAIGIMI-OALUTQOASA-N 371.506 2.624 0 50 FFAA COc1cc2c(cc1CNC(=O)N(Cc1cnn(C)c1)C1CC1)CCC2 534654304 WMOKADWRYBCHFE-UHFFFAOYSA-N 354.454 2.792 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCC(=O)NC[C@H]3C)cn2)c1 299796413 NRXHZSOBYXYWDQ-CYBMUJFWSA-N 370.409 2.625 0 50 FFAA Cn1cc(C(=O)N2CC[C@@H](N)C3(CCC3)C2)c(-c2ccc(F)cc2F)n1 1875292304 DAHKJTWLIOKTHV-MRXNPFEDSA-N 360.408 2.709 0 50 FFAA Cn1cnnc1C[C@@]1(O)CCCN(c2ccnc3c(Cl)cccc23)C1 952887745 WJTBDEOLWKWLRV-SFHVURJKSA-N 357.845 2.591 0 50 FFAA O=C(N[C@H](CO)CCc1ccncc1)c1cccc(CC(F)(F)F)c1 1875327194 UJQXWWDXXFLLHP-INIZCTEOSA-N 352.356 2.910 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1ccc2c(c1)COCC2 1875398752 DHPYEBOCMQOOCA-MSOLQXFVSA-N 354.454 2.567 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)S(=O)(=O)N1CCCC1 952864513 ZUBFJFVMMGHURA-UHFFFAOYSA-N 351.497 2.794 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)S(=O)(=O)c1c(F)cccc1F 952988324 LDURCIXNRGMAEK-UHFFFAOYSA-N 365.361 2.836 0 50 FFAA O=S1(=O)[C@H](c2ccccc2)CCN1Cc1cnc(C(F)(F)F)nc1 888092806 SBLXFWDJOFXFKA-ZDUSSCGKSA-N 357.357 2.772 0 50 FFAA COc1ccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1CC(=O)O 271602774 INPBJTTXJIQTDM-UHFFFAOYSA-N 373.430 2.563 0 50 FFAA COC[C@@H]1CN(C(=O)NCc2ccccc2OC2CCCC2)C[C@@H](C)O1 187357589 SRKLTROPUMBUPG-QAPCUYQASA-N 362.470 2.953 0 50 FFAA CN1C(=O)CC[C@H]1C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 170598486 NDKQGCZXJFSIIE-MSOLQXFVSA-N 358.388 2.986 0 50 FFAA C[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]1CO 191184997 XVKPLSOUHPOWPI-BLLLJJGKSA-N 350.260 2.838 0 50 FFAA CCn1ncc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1C 1529121036 YOQBNESVXLJCGM-HNNXBMFYSA-N 370.453 2.990 0 50 FFAA CCN(CCNc1nccc(N2CCC[C@@H](O)C2)n1)c1cccc(C)c1 1529119210 DELIERWCVPYNOD-GOSISDBHSA-N 355.486 2.685 0 50 FFAA Cc1noc(C)c1CN1CCCN(C(=O)COc2cccc(F)c2)CC1 1529152249 QYHRLDCDQWRRFM-UHFFFAOYSA-N 361.417 2.544 0 50 FFAA COc1cc(-c2onc(N3CCO[C@H](C4CC4)C3)c2C(=O)O)ccc1F 1704313120 FYXYQXLOEADBIF-AWEZNQCLSA-N 362.357 2.803 0 50 FFAA CN1C[C@@H](CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CCC1=O 1775978805 DDYQYLAYKAKMLR-ZDUSSCGKSA-N 356.297 2.984 0 50 FFAA O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 5443615 ZACFZBIQUQZJFJ-UHFFFAOYSA-N 372.490 2.834 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 11664463 QBBHKXCGFRYQEE-OAHLLOKOSA-N 351.410 2.565 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O 12457055 SCIYSCDUUVRTSD-SFHVURJKSA-N 354.853 2.940 0 50 FFAA c1ccc(-n2nnnc2Oc2cccc(CNC[C@H]3CCCO3)c2)cc1 13717639 NKFTVGSCQYQMQA-GOSISDBHSA-N 351.410 2.723 0 50 FFAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2ncccn2)CC1 16605141 DUVLLAFEENBSRI-SFHVURJKSA-N 354.454 2.600 0 50 FFAA O=C(NCc1cccnc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 16607531 PRGYDKNITKTDBE-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCCC1=CCCCC1 169760120 GAVWQOCGBKDGDH-UHFFFAOYSA-N 368.481 2.772 0 50 FFAA Oc1nc(C2CC2)nc2c1CC[C@]21CCCN(c2ncc(Cl)cn2)C1 1857668418 MCJUBYFWXDTRIZ-SFHVURJKSA-N 357.845 2.987 0 50 FFAA CC(C)=CCN1CC[C@@H](O)[C@H](NC(=O)c2c(-c3ccccc3)noc2C)C1 1857676706 WSCRJJVWAPDDPW-QZTJIDSGSA-N 369.465 2.781 0 50 FFAA COCCCCN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCC(C)C)C2)C1 1857691545 PPDXHIHZTQTXSQ-UYAOXDASSA-N 354.535 2.525 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1scnc1C1CCCC1 333698343 CZQWCTUYDYATFM-ZDUSSCGKSA-N 356.513 2.840 0 50 FFAA O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn([C@H]2CCOC2)c1 132819539 KVARMYQTKIRGCQ-QMMMGPOBSA-N 363.773 2.577 0 50 FFAA COc1nn(C)cc1N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O 473783968 JMDYHBNCRFLUJH-LLVKDONJSA-N 355.225 2.953 0 50 FFAA O=C(NCCc1ccccc1)N1CCC(CO)(C[C@@H]2CCCCO2)CC1 23231594 BECCCIQWZJGTJZ-IBGZPJMESA-N 360.498 2.972 0 50 FFAA Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 369307411 NLMICKOCPAFRRI-CQSZACIVSA-N 358.417 2.789 0 50 FFAA CCOC(=O)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 915012 CBZGGIZINIXKGZ-MRXNPFEDSA-N 353.378 2.625 0 50 FFAA COc1cc2ccccc2cc1C(=O)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 2325785972 WKMBHMUIHDFZTL-NIKGAXFTSA-N 365.433 2.614 0 50 FFAA CN(C)c1nc2cccc(C(=O)N3CCCN(c4ccncc4)CC3)c2o1 2325792243 OXFCERDMRUGXHP-UHFFFAOYSA-N 365.437 2.641 0 50 FFAA C[C@@]1(C(F)F)C[C@@H]1C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 2325792422 AFXDIKJEMPKNTG-KZULUSFZSA-N 351.397 2.618 0 50 FFAA O=C(c1coc(O)n1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 2325803530 MOWQODYLPBRXSR-UHFFFAOYSA-N 356.407 2.919 0 50 FFAA COc1ccc(C[C@H](C)C(=O)Nc2cc3c(cc2O)OCCO3)cc1OC 2325810538 QDSDPRFSVGJLLY-LBPRGKRZSA-N 373.405 2.998 0 50 FFAA CC(C)(C)[C@H]1CC[C@H](C(=O)O)N(C(=O)c2cc(-n3ccnc3)ccc2O)C1 2325851852 LJHDOMHARYJFGR-XJKSGUPXSA-N 371.437 2.929 0 50 FFAA Cc1nc2c(-c3nc(CCn4ccnc4)nn3CC(C)C)ccnc2[nH]1 2325875190 JOFUKOKGZHEVCM-UHFFFAOYSA-N 350.430 2.620 0 50 FFAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1cccc(F)c1 640074 LBIPKMUSASYUJW-UHFFFAOYSA-N 370.833 2.562 0 50 FFAA Cc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CCC4)cc1 755321 KCFOIZSUIWVOSW-UHFFFAOYSA-N 371.487 2.822 0 50 FFAA COc1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1OC 1428921 AEPZMYIMVWOMQF-KRWDZBQOSA-N 357.406 2.624 0 50 FFAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)on1 2356144794 MIRBPADZBTUJGU-NSHDSACASA-N 357.801 2.998 0 50 FFAA CCc1nc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)n[nH]1 2356170775 ITLBFICLKGRXDS-HXUWFJFHSA-N 353.470 2.524 0 50 FFAA COc1cc([C@@H](O)CN[C@@H](C)CCn2cnc3ccccc32)ccc1O 3785475 NKKPVWPMPWLEMY-LIRRHRJNSA-N 355.438 2.852 0 50 FFAA in-man CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1 4838430 UJSKVEWGTALSEU-UHFFFAOYSA-N 360.222 2.829 0 50 FFAA O=C([C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCCCC1 6702315 YJQZIJPAXXMXJL-SFHVURJKSA-N 358.463 2.719 0 50 FFAA CCn1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc2ccccc21 112032851 OPQUSHQVGKONBF-GFCCVEGCSA-N 353.344 2.554 0 50 FFAA O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NCCc1ccccc1 55060423 JZBYZXLPJUDIOH-UHFFFAOYSA-N 357.885 2.821 0 50 FFAA Cn1cc([C@@H]2CCN(C(=O)NC[C@H](c3ccco3)N3CCCCC3)C2)cn1 116521042 HMFFMWYVOYLIKU-SJLPKXTDSA-N 371.485 2.739 0 50 FFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)N[C@@H](C)c1ccn(C)n1)C2 420865311 VQZXVQOACNZYQV-ZDUSSCGKSA-N 358.442 2.873 0 50 FFAA O=C(CCc1nc2ccccc2s1)N1CCN(C(=O)c2ccco2)CC1 27158979 HJOZOTOOOKAWBQ-UHFFFAOYSA-N 369.446 2.807 0 50 FFAA CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2c(C)noc2C)s1 1506400343 FIXOXKCLEOIIMQ-CYBMUJFWSA-N 369.512 2.783 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)CC1 67817627 UTCMYGVTIIMZGY-UHFFFAOYSA-N 368.412 2.973 0 50 FFAA CCNc1ncc(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)cn1 67869206 PUQKTOABFNANNJ-GOSISDBHSA-N 355.373 2.804 0 50 FFAA c1cncc([C@@H](CN2CCc3[nH]c4ccccc4c3C2)N2CCOCC2)c1 20271485 FROFNLYGKNBIQB-JOCHJYFZSA-N 362.477 2.995 0 50 FFAA CC(C)Cc1nc([C@@H](C)N2CCCC2=O)n(-c2ccc3c(c2)OCO3)n1 65370058 NHFMGEAWZONJDH-CYBMUJFWSA-N 356.426 2.878 0 50 FFAA CC(C)[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1ccc2c(c1)OCCO2 252512261 ONTQKSRXNJPDBJ-BXWFABGCSA-N 355.438 2.808 0 50 FFAA CN(C(=O)Cc1csc(N2CCCC2=O)n1)c1nc2ccccc2o1 121272705 MCFNCRZTWPPOQU-UHFFFAOYSA-N 356.407 2.617 0 50 FFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 794642 XMSLPTJAWDQIRU-IRXDYDNUSA-N 356.422 2.918 0 50 FFAA CCc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)cc1 253420170 WHCKFKLEHFOOSL-UHFFFAOYSA-N 367.492 2.521 0 50 FFAA O=C(NC1(CCO)CCCC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 253417633 OLJWDQOYNVMRLT-OAHLLOKOSA-N 350.846 2.504 0 50 FFAA Cc1ccc([C@H](C)CCN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)o1 72410393 SDGKQESWTAUIKL-MRXNPFEDSA-N 363.502 2.930 0 50 FFAA COc1ccc(S(=O)(=O)NCc2cn3c(n2)CCCC3)c2ccccc12 328596787 XZZFXHIVTNKVQO-UHFFFAOYSA-N 371.462 2.860 0 50 FFAA O=C(Nc1nonc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1Cl 12375368 JGMUGAYJAJXKSQ-NXEZZACHSA-N 374.784 2.655 0 50 FFAA CCc1noc(CN2C[C@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72143211 MMUZHJVTDARZGM-DUXKGJEZSA-N 368.481 2.703 0 50 FFAA CN(Cc1ccc2c(c1)CCO2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328655964 YWCTWUWSAJURLC-GHTZIAJQSA-N 354.498 2.870 0 50 FFAA COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)nc1 123561267 XKQLQROUHJMILY-QGZVFWFLSA-N 363.421 2.518 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3CCOC3)CC2)c1 77356752 KWROTSNOBNTCBP-INIZCTEOSA-N 355.438 2.828 0 50 FFAA CC(C)(CNC(=O)c1cnc(C(F)(F)F)nc1)c1ccc2c(c1)OCO2 155616856 AOGKRRBXTHQKQA-UHFFFAOYSA-N 367.327 2.932 0 50 FFAA CCc1nccn1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72158721 RXXBRAABMSBVBM-FQEVSTJZSA-N 366.509 2.537 0 50 FFAA CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)C1(C)C 363965053 DNRVYABFCGUUEQ-RDBSUJKOSA-N 363.483 2.714 0 50 FFAA Cc1cc(C)c(CN2CCN(Cc3nccn3C)CC2)c(-n2cccn2)c1 215741507 MGZUYUJZTQJEBD-UHFFFAOYSA-N 364.497 2.540 0 50 FFAA O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)[C@@H]1C[C@H]2CC[C@H]1NC2 333254921 HRFWSTGAHNXCHR-KBAYOESNSA-N 370.493 2.774 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(F)c(C(F)(F)F)c1)C2 72168396 OVQGRIPZDWUINW-ZBFHGGJFSA-N 360.351 2.873 0 50 FFAA COc1ncccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71639299 DBPAWXBIYUJULW-XUVXKRRUSA-N 363.461 2.793 0 50 FFAA Cc1nc2c(c(N[C@@H]3COCC[C@@H]3OCc3c(C)noc3C)n1)CCC2 219522267 QRVPVLYKQYSDMN-MSOLQXFVSA-N 358.442 2.665 0 50 FFAA CC(C)c1cc(NCc2ccc3c(c2)n(C)c(=O)n3C)n2nccc2n1 72138697 UKCKDQVYBFGVKQ-UHFFFAOYSA-N 350.426 2.655 0 50 FFAA O=C(C1CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72448485 MOLXPEMSHGHPBP-UHFFFAOYSA-N 357.372 2.942 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 263145018 AOMXHFQIOVSTEC-SNVBAGLBSA-N 361.225 2.626 0 50 FFAA CCNc1ncc(CN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 215431048 HTQAVHIMTCDPDH-MRXNPFEDSA-N 365.441 2.733 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(CCc1cn[nH]c1)C2 72152275 JAUZWRPPRVQXBT-QFIPXVFZSA-N 366.509 2.900 0 50 FFAA Cc1ccccc1CSCC(=O)NCCc1noc([C@H]2CCCO2)n1 221439768 XIZMTNPQJSKUBA-OAHLLOKOSA-N 361.467 2.822 0 50 FFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCCc4occc4C3)cc2C[C@H]1C 288301402 DFKBUJDUFJRMMH-CYBMUJFWSA-N 374.462 2.714 0 50 FFAA CCC[C@@H]1CN(C(=O)COc2ccc3ccccc3c2)C[C@H]1NC(C)=O 82138763 XFUMECMOSPCPTA-UYAOXDASSA-N 354.450 2.982 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)cc1 82121586 RNNQOBHYTACEEQ-UHFFFAOYSA-N 369.465 2.850 0 50 FFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cncc(N)c2)c1 426544414 PKVSIUNWHPWDGH-HXUWFJFHSA-N 368.481 2.514 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C[C@@H]1CCOC(C)(C)C1)CC2 95520980 ZSRGJZOHVVMWDE-MRXNPFEDSA-N 374.529 2.701 0 50 FFAA Cc1cccc2c(CN3C[C@@H](CN4CCOCC4)[C@@H](CO)C3)cccc12 92064908 LNXJTSIBYWWZTC-WOJBJXKFSA-N 354.494 2.521 0 50 FFAA Cc1ccc2nc(C(=O)N3CCCC[C@H]3CCN3CCCC3=O)c(F)n2c1 95381275 ZGFWMPZHTUUISW-HNNXBMFYSA-N 372.444 2.789 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CCCN(c2ccccn2)C1 96180410 IXZAIFZEPKGEGI-HNNXBMFYSA-N 367.478 2.961 0 50 FFAA COCCN(C(=O)Nc1cccc(OC)c1Cl)C1CCN(C)CC1 96138165 CRCSUKGHTKEKFH-UHFFFAOYSA-N 355.866 2.923 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(CCCC(=O)c3ccc(F)cc3)C2)n1 426674328 RWSJKNOIZHHPNL-INIZCTEOSA-N 373.428 2.949 0 50 FFAA O=C1CC2(CCN(c3cnccn3)CC2)CN1CCCc1ccccc1 95385320 UTIMLUXXFUQYPU-UHFFFAOYSA-N 350.466 2.928 0 50 FFAA Cc1ccc2cc(C(=O)N3CCC([C@H]4C[C@H](N)CCO4)CC3)ccc2n1 333292310 OUZHMQHYMHTXJS-UYAOXDASSA-N 353.466 2.902 0 50 FFAA Cc1cc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 95383019 WOIROTODJMVETP-GDIGMMSISA-N 371.435 2.712 0 50 FFAA Cc1nnc(SCCNC(=O)c2cnc(Nc3ccccc3)nc2)s1 95371172 HCFHAQFTHLLHHW-UHFFFAOYSA-N 372.479 2.902 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)Cc2cc(C)no2)C3)cc1 91441229 RJZITBITACPXKC-ZWKOTPCHSA-N 369.465 2.657 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(Cl)ccc1O)C2 91587044 LXTWVHJJZUYIPH-SWLSCSKDSA-N 362.857 2.909 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(-n3nc(C)cc3C)c1)C2 96166800 BJYZFADMGIYRCB-FXAWDEMLSA-N 366.465 2.572 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCn1nc(C)c(Cl)c1C)C2 91526296 AZTCPANNMPFZDB-AWEZNQCLSA-N 363.845 2.529 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@H]1CCCN(C(C)C)C1 299354989 HNGMQKKYVOAGGY-AWEZNQCLSA-N 359.499 2.759 0 50 FFAA COc1ccc2oc(CNC(=O)N(C)Cc3n[nH]c4c3CCCC4)nc2c1 534585922 MHQNFMIPDCWJGF-UHFFFAOYSA-N 369.425 2.780 0 50 FFAA CCc1noc(-c2cccc(NC(=O)NCCc3nnc(C)s3)c2)n1 299798631 TXAXVGYXKJVGJM-UHFFFAOYSA-N 358.427 2.823 0 50 FFAA CCOC(=O)c1c[nH]c2c(C)cc(I)cc2c1=O 40564533 BHLKSAHVKKYWON-UHFFFAOYSA-N 357.147 2.618 0 50 FFAA in-vitro O=C1CSC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 52508159 IAMTVNIHOIPSIE-UHFFFAOYSA-N 351.781 2.913 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)[C@@H](O)CCSC)s2)c1 299769853 JMDLYESEODMCKU-AWEZNQCLSA-N 352.481 2.549 0 50 FFAA O=C(NCc1sc2ccccc2c1Cl)NC[C@H]1CCS(=O)(=O)C1 828032790 RFWGHYJABLONKE-SNVBAGLBSA-N 372.899 2.789 0 50 FFAA O[C@@H]1CCCN(c2ccnc(NCC3(COc4ccccc4)CC3)n2)C1 584894903 LSEVOBKNZDMRLP-MRXNPFEDSA-N 354.454 2.709 0 50 FFAA COc1ccc2[nH]c(CN3CCC[C@@H](CS(C)(=O)=O)C3)c(C)c2c1 824757822 LTDQAFLHPIIBSN-CQSZACIVSA-N 350.484 2.742 0 50 FFAA O=C1C[C@H](c2ncnn2-c2ccc3c(c2)CCC3)CN1Cc1cccnc1 670472315 BNCANESOWJEMFR-SFHVURJKSA-N 359.433 2.667 0 50 FFAA C=CC(=O)NC1(CC)CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)CC1 1875383570 ZLPDOPGNEYQBEQ-RTBURBONSA-N 370.493 2.880 0 50 FFAA CCn1nc2c(c1C(=O)N1CCC(O)(C3CCC3)CC1)C[C@H](C)O[C@@H]2C 1875314357 TYXTVJFFLBSEBA-UONOGXRCSA-N 361.486 2.692 0 50 FFAA CC(C)n1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N1CCCc2c(cnn2C)C1 1875395627 HDSXSUUXDBRMBT-NYSBEXSLSA-N 367.497 2.840 0 50 FFAA Cn1ncc(C(=O)NC[C@H](N)c2ccc(F)cc2F)c1Cc1ccccc1 1875357936 CAUZAIMIMDFBLV-SFHVURJKSA-N 370.403 2.719 0 50 FFAA Cn1cc(-c2nc(-c3ccc(OC[C@@H]4C[N@@]4CC4CC4)cc3)no2)cn1 1875385580 WTWHFKGRTRVUGP-UPCLLVRISA-N 351.410 2.610 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1 1875373623 IHPMEYDEEAOYHC-CQSZACIVSA-N 367.453 2.644 0 50 FFAA COC(=O)c1cccc(-c2ccccc2CN2C(=O)[C@H](C)NC2=S)c1 1875315284 NXIRJLHCLZNXCX-LBPRGKRZSA-N 354.431 2.745 0 50 FFAA N[C@@H](CCO)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1875404951 FFOCIKQDUSROMG-QAPCUYQASA-N 371.868 2.779 0 50 FFAA Cc1cc(=N[C@@H]2CCC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)[nH]c(CC2CC2)n1 1875405490 HGMWVXQDQVKSPU-ZACQAIPSSA-N 354.498 2.799 0 50 FFAA Cn1c(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)nc2ccccc21 1565515908 GKWVBECINJUHSU-QAPCUYQASA-N 365.433 2.652 0 50 FFAA Cc1ccc(O)c(CN(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n1 275466802 LAJGLFRNXXAZOX-GJZGRUSLSA-N 364.490 2.905 0 50 FFAA O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)N1CCN(c2cccnn2)CC1 280243611 IEXQPHVLUGCNCD-SJLPKXTDSA-N 369.444 2.784 0 50 FFAA C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCC1 187813185 NCURAZWGWLKUPM-CQSZACIVSA-N 359.470 2.802 0 50 FFAA Cc1ccc(CN2CC[C@H](NC(=O)Cc3noc4ccccc34)C2=O)cc1 191621671 NAQLXJOERAGRSB-KRWDZBQOSA-N 363.417 2.596 0 50 FFAA O=C(COc1ccccc1-c1nnco1)N1CCC[C@@H](C(F)(F)F)C1 193680262 VTIFOWPDABJBOI-LLVKDONJSA-N 355.316 2.916 0 50 FFAA Cc1noc(-c2ccnc(N3CCCN(Cc4cccnc4)CC3)c2)n1 1506421046 DNOXNXUJPZCXKM-UHFFFAOYSA-N 350.426 2.547 0 50 FFAA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCOCC1 728279 CKYVOCSXTIFWCU-KAMYIIQDSA-N 353.334 2.621 0 50 FFAA O=C(c1ccncc1Cl)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529196697 DYPNNMKOXRHOFU-CRAIPNDOSA-N 357.841 2.633 0 50 FFAA O[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)C[C@H]1Cc1cnccn1 1529120983 WZBKBMJQSKATNT-RDTXWAMCSA-N 354.841 2.714 0 50 FFAA CCc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)s1 5903639 ISOLQAJXNBDUHZ-UHFFFAOYSA-N 371.451 2.651 0 50 FFAA CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N(C)C(C)C)C2 11880149 KNMPXMFQXUJMFH-QWRGUYRKSA-N 351.472 2.740 0 50 FFAA CCn1ccnc1[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)C(=O)[C@]23CCCN13 12193010 LGXVBQXFYPAKHL-KNBMTAEXSA-N 354.454 2.742 0 50 FFAA O=C(C[C@@H]1C(=O)NCCN1CC1CCCCC1)NC1(c2ccccc2)CC1 12208014 XDBPDLVKDWNUPI-LJQANCHMSA-N 369.509 2.563 0 50 FFAA C[C@@H](Cn1cncn1)NC(=O)c1csc2nc(-c3ccccc3F)cn12 12299922 NUJDHEZIXRHSAA-NSHDSACASA-N 370.413 2.612 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)Cc3ccccc3C)CC2=O)cc1 12386473 FBMKNVJAGBSMQD-IBGZPJMESA-N 366.461 2.506 0 50 FFAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccc2)O[C@H]1c1ccccc1 15769290 VKZKOTVLMSTFDH-NBMJBFSESA-N 368.385 2.647 0 50 FFAA O=C(NCC1CCS(=O)(=O)CC1)C1(c2ccc(Cl)cc2)CCC1 19146028 SVGOTJCUQURGJN-UHFFFAOYSA-N 355.887 2.703 0 50 FFAA OCCOc1ccccc1CN[C@@H]1CCCN(C2Cc3ccccc3C2)C1 19732454 ZWHCYJPFVMYREU-OAQYLSRUSA-N 366.505 2.779 0 50 FFAA Cc1cc(-c2nc(CC(N)=O)nn2-c2ccc3c(c2)CCC3)nn1C(C)C 1857678102 SLICTZUXZHUWEK-UHFFFAOYSA-N 364.453 2.537 0 50 FFAA COc1c(Cl)cc(C(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1Cl 1857720426 UDANUGMYEFTTDV-YOEUBCJZSA-N 372.248 2.614 0 50 FFAA Cn1cccc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857732715 CNTHPFYCQZXMKI-PMACEKPBSA-N 353.466 2.703 0 50 FFAA CC1(C)CN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC(C)(C)O1 408435590 OQJIINGFOPMLCW-UHFFFAOYSA-N 366.405 2.747 0 50 FFAA NC(=O)c1cccc(C(=O)N2CCC(CN3CCc4ccccc43)CC2)c1 111105306 WVNRBJLSVXPOEV-UHFFFAOYSA-N 363.461 2.700 0 50 FFAA C[C@@]1(C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCC(O)=NC1 328859544 YNHBZJTWENINQG-BLLLJJGKSA-N 371.359 2.837 0 50 FFAA CN1CC[C@H](NC(=O)NC[C@@H]2CC[C@@H](O)C2)[C@H]1c1ccc(Cl)c(F)c1 248991187 YICLIJAJJYKQCX-HQQPKKBNSA-N 369.868 2.685 0 50 FFAA Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCC(C2OCCO2)CC1 368353945 FHVYKECLNJVDQX-CQSZACIVSA-N 366.483 2.571 0 50 FFAA Cc1cc([C@H](N)CC(=O)NC[C@H](O)c2ccccc2Cl)cc(Cl)n1 830263218 DRJCVCYLWQPAJX-CABCVRRESA-N 368.264 2.937 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)C2(Nc3ccccc3)CCCC2)C[C@@H]1O 2100534485 KNSFPDNDOSRIAQ-PXNSSMCTSA-N 374.481 2.876 0 50 FFAA CO[C@H]1C[C@](N)(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 2325774675 IIANIQPPROIVMH-GDZNZVCISA-N 372.296 2.585 0 50 FFAA C[C@@H]1CCCc2c(-c3nc(C4CCOCC4)nn3[C@@H]3CCOC3)cnn21 2325849420 OZBKMHYAZTYXRH-UKRRQHHQSA-N 357.458 2.894 0 50 FFAA Cn1cc(-c2ccccc2)c(=NC(=O)c2cnc(N)c(Br)c2)[nH]1 2325879996 PFLBZMLKWUUBTL-UHFFFAOYSA-N 372.226 2.501 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@]3(CCCC[C@H]3O)C2)cc1 2325889945 FLLBERRJNLIUHC-WIYYLYMNSA-N 356.466 2.993 0 50 FFAA C=CC(=O)N1CCCc2c(C(=O)Nc3ccc4c(c3)C(=O)NC4)cccc21 2325894211 SXHBBIVYSZQRPT-UHFFFAOYSA-N 361.401 2.648 0 50 FFAA N[C@@]1(CO)CCCN(c2nnc(-c3cc(Cl)cc(Cl)c3)s2)C1 900374722 MEQZTMAKYYPVLO-AWEZNQCLSA-N 359.282 2.802 0 50 FFAA COc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(OC)c1 638743 UZKYCVXYSOYWGP-UHFFFAOYSA-N 358.781 2.950 0 50 FFAA O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899940 HPPZFGHXPYEREP-UHFFFAOYSA-N 368.474 2.629 0 50 FFAA Cc1ccc(C(N)=O)c(N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)n1 2356137053 PSYFSUYHPYAZBW-RRMPHLOHSA-N 351.450 2.613 0 50 FFAA COc1ccc(OC)c(NC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356149316 UPWLDXLTWJEDGA-FQEVSTJZSA-N 373.453 2.855 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(C)nc3ccccc23)CC[C@@H]1O 2356152411 HWCRFTJXIZBHMO-FXAWDEMLSA-N 356.422 2.621 0 50 FFAA COc1cc(-c2o[nH]c(=NCCc3ccncc3)c2C(=O)O)ccc1F 2356156127 SFUOGIADPMGNNN-UHFFFAOYSA-N 357.341 2.659 0 50 FFAA COc1ccc(-n2nnc(-c3nc(-c4cccs4)no3)c2N)cc1OC 6868295 QBYDSMWUCLVAAV-UHFFFAOYSA-N 370.394 2.645 0 50 FFAA COc1ccc(-c2nc3c([nH]2)c(C(C)C)nn3C)cc1Cn1cncn1 106372104 IBDWXXMUFDMHBY-UHFFFAOYSA-N 351.414 2.735 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2nnnc2N1 8739303 NUUSWPDCNTWKAA-INIZCTEOSA-N 350.382 2.811 0 50 FFAA Cc1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C 9875121 SRZGFHZSMWJLAL-UHFFFAOYSA-N 358.486 2.641 0 50 FFAA NC(=O)c1c(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)sc2c1CCC2 247716916 NWKCOHRILLXNBQ-OLZOCXBDSA-N 361.511 2.786 0 50 FFAA CC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc(C)c(C)s1 67446756 PIWOZMIWCTTYQP-AWEZNQCLSA-N 356.451 2.888 0 50 FFAA CN1CCN([C@H](c2cccs2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 101016746 ZGHHPRJBTVZHCE-QUCCMNQESA-N 369.490 2.762 0 50 FFAA O=C(O)c1nn(CC2CC2)c2c1CN(C(=O)c1cc3sccc3[nH]1)CC2 67562816 PLCHOWMCPFMXQK-UHFFFAOYSA-N 370.434 2.733 0 50 FFAA Cc1cc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)ccc1F 67894609 CXEPEUSFPQVHPL-QFIPXVFZSA-N 370.468 2.820 0 50 FFAA Cc1ccc(C2(CN(C)C[C@H]3Cc4ccccc4O3)CCNCC2)nc1 65410163 VVLREIYYBILSQB-LJQANCHMSA-N 351.494 2.947 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(CC)Cc3ccccc3C)no2)CC1 67946900 DZSBNCXXTVOJGJ-UHFFFAOYSA-N 370.497 2.783 0 50 FFAA Cc1ccc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)cc1 20448929 DMRAQLJKUMQEOL-SFHVURJKSA-N 366.596 2.712 0 50 FFAA CN(Cc1cn(CC(N)=O)c2ccccc12)C1CC(C)(C)NC(C)(C)C1 67804800 ZCZHSZKMIDTBNT-UHFFFAOYSA-N 356.514 2.868 0 50 FFAA Cc1c(Br)cnn1[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 2802178 QCFAJDDMHFUJOZ-SNVBAGLBSA-N 366.215 2.925 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 282325942 YTLVBFDECHXQBU-USXIJHARSA-N 365.495 2.636 0 50 FFAA NC(=O)N1CCC[C@@H]1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 71748654 YRVKKKFJOILNBS-LJQANCHMSA-N 368.481 2.986 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)C3CCOCC3)CC2)OC1=O 77299674 HSOAQZDBUZAXIB-UHFFFAOYSA-N 352.475 2.807 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3ccc(N)nc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72168205 XJSSRKSJDMYLJG-HMXCVIKNSA-N 362.477 2.675 0 50 FFAA CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 363702323 BLDRAHNMKGGUKV-RXVVDRJESA-N 356.466 2.826 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cccnc3N)[C@@H]3C4CCN(CC4)[C@H]23)c1 72162615 OADCKFHCIQWXTD-PWRODBHTSA-N 364.493 2.735 0 50 FFAA CN1C(C(=O)N2CCCc3ccccc32)=C(O)c2ccccc2S1(=O)=O 71769134 RFDMZMWBWLWFDB-UHFFFAOYSA-N 370.430 2.527 0 50 FFAA CN1CCCC[C@H]1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72476108 UYVMSFXPHGICLU-INIZCTEOSA-N 370.415 3.000 0 50 FFAA CN(C)[C@@H](CNS(=O)(=O)NCc1ccccc1)c1ccccc1Cl 71419409 VXXGTGLTRKSRAS-KRWDZBQOSA-N 367.902 2.567 0 50 FFAA Oc1n[nH]c(C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)n1 377581049 DUCWKQYVOUDVEE-UHFFFAOYSA-N 356.348 2.831 0 50 FFAA COc1ccc(F)c(-c2nc(CN3C[C@H](O)[C@@H](OC(C)C)C3)c(C)o2)c1 71712151 WGFNEGVELAUOJY-ROUUACIJSA-N 364.417 2.768 0 50 FFAA COCCN1CCN(C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1 240333464 FDKBQXHQLNYLDK-QGZVFWFLSA-N 371.485 2.597 0 50 FFAA O=C1CC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2N1CC1CCNCC1 72454779 NEMOGFOMUWIWJC-AZUAARDMSA-N 359.489 2.638 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3C)C2)cc(=O)[nH]1 72164517 MXXOAJHAUYFWCZ-GOSISDBHSA-N 363.465 2.952 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@H](N2CCC(CO)CC2)C1 72144781 PRAZZWIAMVCMFD-INIZCTEOSA-N 366.889 2.658 0 50 FFAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1CCCN1Cc1ccccc1 238175151 BOWUHGKUVUOJLF-UXHICEINSA-N 366.461 2.711 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1C 77408369 OYKPYNBXGUYJTH-HXUWFJFHSA-N 358.486 2.609 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72411696 PNCIDDOWFKMBQC-OAHLLOKOSA-N 350.422 2.521 0 50 FFAA Cc1ccc(C)c(CC(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1 72168981 VZBXDWOFZOXYGH-LJQANCHMSA-N 354.425 2.902 0 50 FFAA CCc1nc(N2CCN(c3ncccn3)CC2)c2cc(CC)sc2n1 41090123 FAKUBBZVDKJQGE-UHFFFAOYSA-N 354.483 2.933 0 50 FFAA Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)o1 287572200 NEHPDMZWLRXZQA-MAZHCROVSA-N 370.453 2.805 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)c1ccc2sc3c(c2c1)CCNC3=O 220072380 VWFZJTMFWCEGDD-GFCCVEGCSA-N 368.462 2.592 0 50 FFAA CCCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)[C@@H]1CCNC1 178900943 OLNSNMYDYOGKEN-MRXNPFEDSA-N 359.449 2.744 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 426402002 QQOWGEFNLYVUBV-UHFFFAOYSA-N 374.485 2.754 0 50 FFAA CNC(=O)CCC(C)(C)NC(=O)c1cccc(-c2cccc(CO)c2)c1 426395969 PEJDOLCBEBWTOX-UHFFFAOYSA-N 354.450 2.881 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)ccc1F 222275678 ZTTJYUXLBSSROE-HZPDHXFCSA-N 350.415 2.695 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cnc(O)cc2O)C1 92028355 IIABYEKCOKLPHX-FQEVSTJZSA-N 370.405 2.707 0 50 FFAA CC1CCN(Cc2ccccc2OC[C@@H](O)CN2CCSCC2)CC1 95496634 ZWEBHFHAEMHNNN-IBGZPJMESA-N 364.555 2.707 0 50 FFAA CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)nc1C 180879816 XTJNBQIUFKIEDI-SFHVURJKSA-N 368.481 2.926 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)c(=O)[nH]1 96139368 GLLLDJXTQQQTGS-GOSISDBHSA-N 365.477 2.777 0 50 FFAA CCCc1cc(N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)nc(C)n1 96163809 MFHOGVHJRNBNNA-YWZLYKJASA-N 358.486 2.503 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)CN1CCCCCCCC1=O 95521556 DPWCLLCZEFWRHE-UHFFFAOYSA-N 360.483 2.833 0 50 FFAA CCCc1nc(C)cc(N2CCC3(CCC(=O)N(CCOC)C3)CC2)n1 91808740 BBYWNKJEIHVXKF-UHFFFAOYSA-N 360.502 2.593 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2nc3ccccc3s2)on1 95355494 DKIXYBGKAFJTJE-CJNGLKHVSA-N 371.462 2.899 0 50 FFAA C[C@@H](C1CCN(c2cc(C(=O)O)c3ccccc3n2)CC1)N1CCOCC1 95375507 ZYCMXRCBKDMHTL-HNNXBMFYSA-N 369.465 2.870 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CC1CCN(Cc2ccccc2)CC1 244795347 REQZQCMXJPDIAH-SFTDATJTSA-N 373.541 2.513 0 50 FFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 253596660 UPTAPIKFKZGAGM-VIFANFGVSA-N 350.499 2.683 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(CCC(=O)Nc2ccsc2C(=O)O)C1 252483639 FGHMHPVVMXCNTI-LJQANCHMSA-N 374.462 2.677 0 50 FFAA O=C(NC[C@H]1CCOC1)c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1 534661886 XSQLVKLMOGFGLM-CQSZACIVSA-N 370.428 2.649 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC(N3CCC[C@H](O)C3)CC2)c1 534581898 QGVXDARNBMQBMF-FQEVSTJZSA-N 359.514 2.558 0 50 FFAA COC(=O)c1sc(NC(=O)[C@@H](CCSC)n2cccc2)nc1C 263588718 XRLHCDWGXMAPAP-LLVKDONJSA-N 353.469 2.973 0 50 FFAA CNC(=O)[C@@H]1CCN(C(=O)Nc2ccccc2Sc2c(C)n[nH]c2C)C1 299799021 UGUKKZNBBXFZSD-CYBMUJFWSA-N 373.482 2.778 0 50 FFAA CC(=O)N1CCO[C@H](CNC(=O)Nc2ccc(Cl)c(C)c2Cl)C1 299785159 QLPXEOUZHVMCLR-LLVKDONJSA-N 360.241 2.671 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NCc1ccc2nc(O)[nH]c2c1 827831137 XFHQUDWPKPDDNC-UHFFFAOYSA-N 364.449 2.764 0 50 FFAA CSc1ncccc1C(=O)N1CCC2(CC1)CN(CC(C)C)CCO2 824959196 LRACJWHSDHDQQQ-UHFFFAOYSA-N 363.527 2.767 0 50 FFAA C[C@H](NC(=O)c1ccccc1-n1cncn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670466947 LLERVDBEWMNHHB-XJKVJRSZSA-N 366.465 2.717 0 50 FFAA C=CC(=O)NC1(CNC(=O)C[C@@H]2Cc3ccccc3O2)CCCCCC1 1875385825 CGONZZUWBVEHHW-KRWDZBQOSA-N 356.466 2.892 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cnc(C(F)(F)F)s1 1875316257 DTHKECGCQJTLIJ-UHFFFAOYSA-N 367.356 2.715 0 50 FFAA CNC(=O)c1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)o1 952969180 AENUXNLXMGLVCP-SFHVURJKSA-N 373.428 2.622 0 50 FFAA CC(C)Cc1nc(CN(C)S(=O)(=O)Cc2cccc(Cl)c2)no1 952966038 BQNIQAGKMLRRGD-UHFFFAOYSA-N 357.863 2.883 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)o1 952980654 XLHSXAMTZMDQNT-NSHDSACASA-N 351.453 2.653 0 50 FFAA CC(=O)N1CC(OCc2nnc([C@H](C)Oc3cccc(Cl)c3)o2)C1 888076723 QBHCFVPBOYBVRG-JTQLQIEISA-N 351.790 2.610 0 50 FFAA O=C(NCc1cnc(O)c2ccccc12)N1CCCC[C@@]2(CCNC2)C1 1346561344 XAGJIGBSJVIKIV-FQEVSTJZSA-N 354.454 2.616 0 50 FFAA C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCO1 271898807 VWBSLCMOLCNPHN-ZFWWWQNUSA-N 352.425 2.861 0 50 FFAA CC[C@@]1(C)CCN(c2nnc(C(=O)N3CCCC3)n2CCOC(C)C)C1 1497516109 WZBILPQGEGCPSD-IBGZPJMESA-N 363.506 2.566 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCCC2)CN1Cc1ccccc1CC 96162199 RISJVZDVJOKQPP-PMACEKPBSA-N 371.525 2.634 0 50 FFAA CC(C)(C)OC(=O)N1CC(NC(=O)c2cccnc2SC(F)F)C1 170631582 OIMWKTGFXSEQFH-UHFFFAOYSA-N 359.398 2.745 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)n3ccc4ccccc4c3=O)C2)c1 279272753 WNBHHSIPAGIDRL-SJLPKXTDSA-N 364.449 2.931 0 50 FFAA CC1(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCC1 191610467 JXPGITUCQTWDRR-OAHLLOKOSA-N 351.397 2.698 0 50 FFAA CCn1cnc2c(c1=O)CCN(C(=O)C1(c3ccc(F)cc3F)CCC1)C2 192042860 RAZFEARUANDTGD-UHFFFAOYSA-N 373.403 2.548 0 50 FFAA O=C(CCc1ccc(O)cc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529127045 XZVSYUCJWWXBFM-TZIWHRDSSA-N 366.461 2.609 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@@H](C(=O)NCCN1CCCC1)C2 1772811467 ULEBRPVRPMYKKA-CQSZACIVSA-N 374.510 2.732 0 50 FFAA CC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccc(Cl)cc2)C1=O 5005924 ISNDNYKIMWBWIB-LJQANCHMSA-N 370.792 2.907 0 50 FFAA Cc1c([C@@H](C)NC(=O)Cc2ccc3c(c2)OCO3)cnn1-c1ccccn1 11667792 HJMVPUAEVUDPOT-CYBMUJFWSA-N 364.405 2.724 0 50 FFAA O=C(COc1ccccc1)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 12138304 GLFLUANDZHTHKV-GOSISDBHSA-N 354.406 2.613 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC[C@@H]2CCO)no1 12301290 MAERWFZTIWBCGF-OAHLLOKOSA-N 368.437 2.758 0 50 FFAA COCCN(Cc1ncc[nH]1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12316876 XUSFYIWAIRCKFB-SFHVURJKSA-N 368.525 2.738 0 50 FFAA Cc1cccc(C)c1OCc1cc(C(=O)NCc2cn(C)nc2C)no1 12592839 DFKNXSDZAZLMGI-UHFFFAOYSA-N 354.410 2.842 0 50 FFAA O=S(=O)(c1ccccc1Cl)N1CCO[C@H](Cc2ccccc2)C1 12713506 LXNIWCAGCALQPD-OAHLLOKOSA-N 351.855 2.972 0 50 FFAA CN(C)C(=O)CCC(=O)NCc1cccnc1Oc1ccc(F)cc1F 14980357 WBWKGCBNZQUALE-UHFFFAOYSA-N 363.364 2.637 0 50 FFAA CCCCN(C)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 14991595 OKGUYUKTLCBZIK-LBPRGKRZSA-N 363.483 2.885 0 50 FFAA COc1ccc(CN2CCN(Cc3ccsc3)C[C@@H]2CCO)c(F)c1 19641368 FJAMJUPPLOEINA-KRWDZBQOSA-N 364.486 2.965 0 50 FFAA COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1 19773443 TWVGFLFNMFBTHX-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1OC 19782326 UARKOGROBWPXTN-IBGZPJMESA-N 372.513 2.874 0 50 FFAA Nc1nc(O)c(CCC[C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)c(O)n1 19862502 TWEKHKOAMDTORE-MRVPVSSYSA-N 372.208 2.968 0 50 FFAA O=C(Cc1ccc(F)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772260 PBSXALGUNCISCY-UHFFFAOYSA-N 368.334 2.526 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCc2ccccc2Cl)CC12CCOCC2 1857706198 DKVUBLDEHTZZKF-CQSZACIVSA-N 351.830 2.612 0 50 FFAA CC(=O)N1CC[C@@H](NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C1 126821320 OZEVBQPAQKQWNG-GFCCVEGCSA-N 372.899 2.762 0 50 FFAA O=S(=O)(C[C@H]1CCOC1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 247308753 FPOQBWNGOXSPBD-UONOGXRCSA-N 370.540 2.568 0 50 FFAA C[C@]1(O)CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 133633663 PEBWONXEHWAZGW-KXBFYZLASA-N 364.873 2.566 0 50 FFAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21 1875392182 WRNDXLVTJNDQAL-BDLOOMQFSA-N 372.266 2.741 0 50 FFAA c1cc(CN2CCOCC2)cc(-c2noc([C@@H]3CCc4cn[nH]c4C3)n2)c1 266543677 HCAZLFJYSKONER-MRXNPFEDSA-N 365.437 2.564 0 50 FFAA O=C(O)c1cn([C@H]2CCCN(C(=O)c3ccc(F)c4ccccc34)C2)nn1 909855176 LDKRLRZDYSLIQB-LBPRGKRZSA-N 368.368 2.746 0 50 FFAA N[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cn3ccnc3)cc2)C1 2325849768 ZTYMKZKEXXPXCF-NRFANRHFSA-N 364.424 2.771 0 50 FFAA Cc1cccc(C(=O)NC[C@H](C)CNC(=O)Cc2cc(C3CC3)on2)c1 2325867431 VXRBRRCOJZEYBX-CQSZACIVSA-N 355.438 2.585 0 50 FFAA O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 826745 JYXYORMUHPDZOG-UHFFFAOYSA-N 351.453 2.570 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCCC2)c(C)c1 1148439 SNAIQUXTKCFHSE-UHFFFAOYSA-N 352.500 2.681 0 50 FFAA CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 2850879 JGUWONHYSNYFJL-UHFFFAOYSA-N 366.414 2.532 0 50 FFAA C[C@@H](NC(=O)CSc1nnc(-c2ccccn2)n1C)c1ccccc1 6732009 JBOZXSGBFINOOC-CYBMUJFWSA-N 353.451 2.847 0 50 FFAA Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc(-c2ccco2)[nH]n1 225610152 HTQCEDTXUQNRNB-UHFFFAOYSA-N 351.366 2.760 0 50 FFAA CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 10544217 CADDKDYHJUTGIY-KRWDZBQOSA-N 367.515 2.578 0 50 FFAA CCC(C)(C)c1ccc2c(C(=O)N3C[C@H](N)C[C@H]3C(=O)NC)csc2c1 67907999 WFDHPXTWUXAHKK-CJNGLKHVSA-N 373.522 2.877 0 50 FFAA Cn1nc([C@@H]2CCCN(Cc3cccc(O)c3)C2)n(-c2ccccc2)c1=O 67956434 NNXBCSLFBHOHMB-QGZVFWFLSA-N 364.449 2.656 0 50 FFAA Cc1cccc(-c2noc(CN(C)c3cc([C@H]4CCCNC4)ncn3)n2)c1 67842303 AEEOEBXGVCQFRG-INIZCTEOSA-N 364.453 2.938 0 50 FFAA C[C@@H]1C(=O)N(Cc2ncnn2-c2ccccc2)C(=O)N1Cc1ccccc1 348624975 LKYONHNHANZLHW-OAHLLOKOSA-N 361.405 2.620 0 50 FFAA Cc1ccc(C[C@H](CO)CNC(=O)NCc2cccc(N(C)C)c2)cc1 252494438 NVXITYIRVYSUHF-IBGZPJMESA-N 355.482 2.711 0 50 FFAA COCCC(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67850715 RQCIYBGRZCLZMM-UHFFFAOYSA-N 354.385 2.931 0 50 FFAA COc1cc2c(cc1[C@@H]1CC(=O)NCc3nc(N(C)C)sc31)CCC2 65376580 OJHNTYZXXRZEKW-AWEZNQCLSA-N 357.479 2.858 0 50 FFAA Cc1ccc([C@H](NC(=O)[C@@H]2CCO[C@@H]2C(C)C)[C@@H](C)S(C)(=O)=O)cc1 331235848 LIEOBYPXRAWTAN-VDHUWJSZSA-N 367.511 2.647 0 50 FFAA CCc1ocnc1C(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1 23581045 DVERFBBTOOUPSW-UHFFFAOYSA-N 351.410 2.973 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccccn2)cs1 30608864 GRIZVTJWAISIRD-UHFFFAOYSA-N 363.402 2.554 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2Nc2ncnc3c2cnn3C(C)(C)C)cn1 328619352 FTWYFKXSJMUKCH-LSDHHAIUSA-N 355.446 2.647 0 50 FFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 329763272 UIBAWUZCMUPZDK-UHOSZYNNSA-N 374.444 2.777 0 50 FFAA O[C@H](Cn1ccnc1-c1cnccn1)c1ccc(OC(F)(F)F)cc1 151950593 NYACSSBXQBHVAT-CQSZACIVSA-N 350.300 2.972 0 50 FFAA CCOc1ccc(-c2ccnc(NCc3cnc(C)cn3)n2)cc1C(=O)O 77424393 ABSLZJXOTWAJOL-UHFFFAOYSA-N 365.393 2.951 0 50 FFAA CCS[C@@H](C)C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 71738425 FYRMPWVWPHSXPZ-ZDUSSCGKSA-N 371.510 2.631 0 50 FFAA c1cc(N2CCCCC2)ncc1-c1noc(-c2cc([C@H]3CCNC3)n[nH]2)n1 261766760 MUVQZAVTBPYQAO-ZDUSSCGKSA-N 365.441 2.589 0 50 FFAA Cc1csc([C@@H](NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C(F)(F)F)n1 333631006 HOHAFUSEHJMIQU-IYKVGLELSA-N 359.373 2.650 0 50 FFAA O=C([C@H]1CCOC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 15068843 QTMHMDSMFDERJS-HNNXBMFYSA-N 371.399 2.886 0 50 FFAA COc1ccc(CCNC(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1 72158246 GHBGINJMBHKREL-SFHVURJKSA-N 373.497 2.814 0 50 FFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 378309181 DWZCMYXTPYLSAY-BMFZPTHFSA-N 350.463 2.777 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cnn3c2CCCC3)C1 77341535 WLZYJABLWKKDEO-KRWDZBQOSA-N 351.450 2.883 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1 378619556 FRBURBUVLXRWSC-HNNXBMFYSA-N 359.451 2.582 0 50 FFAA Cc1cc(CO)oc1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 284950673 JDDZKMWNOQNXOL-KRWDZBQOSA-N 359.422 2.779 0 50 FFAA Cn1nnc2cc(C(=O)N3CCC[C@H](CCc4ccc(F)cc4)C3)cnc21 71776384 VDYITZGVIOKWCW-OAHLLOKOSA-N 367.428 2.987 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCCC[C@H]1CCn1cccn1 82106723 CDRDSJQWZCNSSK-KRWDZBQOSA-N 350.426 2.549 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)N(C)c3ccccc3)C2)CCC1=O 82127442 PPDQUGKFERCUEP-FQEVSTJZSA-N 359.470 2.594 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)cc1 226087906 RGMOHJSNWVEDIY-HNNXBMFYSA-N 367.810 2.689 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1ccc(-c2cnccn2)cc1 426623015 PWFHAGUIRCCKIM-UHFFFAOYSA-N 373.460 2.933 0 50 FFAA CC(C)[C@@H](NC(=O)c1cccc(-c2ncccc2N)c1)c1ncnn1C 426567133 SDPMIDNLKUJXGX-MRXNPFEDSA-N 350.426 2.586 0 50 FFAA CCOc1ccccc1CN(C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)C1CC1 426396641 QGPLFCZCJJCWOD-MRXNPFEDSA-N 359.470 2.769 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2cnc(N)nc2)cc1 426582933 YHYPNFKCBHBKBD-UHFFFAOYSA-N 364.453 2.758 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3ncc(Cl)cc3F)C2)N1Cc1ccccn1 91409966 NMOITVCDNPPTPC-SWLSCSKDSA-N 360.820 2.897 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NCc3nc(C)ccc3O)CC2)cc1 236958990 MQAMJCHRZCABMT-UHFFFAOYSA-N 369.465 2.889 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)[C@H](c1ccccc1F)N(C)C)C1CC1 95355881 MBCFYSFMFOZVLY-IBGZPJMESA-N 358.461 2.970 0 50 FFAA O=C1C[C@@H](C(=O)O)C2(CCN(Cc3ccc(-c4ccccc4F)o3)CC2)N1 95384529 FILCYKHSCDEMFG-HNNXBMFYSA-N 372.396 2.641 0 50 FFAA COc1cccc(-c2noc(CCCc3nc([C@@H]4CCOC4)no3)n2)c1 96136605 KKMNHKSUQWFHTK-CYBMUJFWSA-N 356.382 2.807 0 50 FFAA CCn1nc(C)c(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)c1C 91713882 KBCOWWNPLBOQHP-DLBZAZTESA-N 355.438 2.769 0 50 FFAA CCCc1nc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 91325835 HAZKIIVQDWZDLP-LBPRGKRZSA-N 359.451 2.640 0 50 FFAA Cc1nn(C)c(C)c1CN(CCO)C(=O)Nc1cccc2c1CCCC2 95518253 FEZLCGTUPYEBRO-UHFFFAOYSA-N 356.470 2.942 0 50 FFAA CCOc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1C=CS(=O)(=O)C1 96150611 YCXVCFKTNCCMFR-SNVBAGLBSA-N 364.345 2.536 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 95385499 ALDDWCLBQRCNKH-UHFFFAOYSA-N 370.493 2.799 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)cc1C 91624914 XGKHBXDAFSURPA-QGZVFWFLSA-N 360.498 2.589 0 50 FFAA Cc1ccc2[nH]c(CN3CCC([C@@H](O)c4nccn4C)CC3)cc(=O)c2c1 91620704 OJGUQDSSSPPBSW-HXUWFJFHSA-N 366.465 2.516 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CN(CC4CCC4)C[C@@]3(C(=O)O)C2)cc1C 96138632 BNMVQKIPBGZBQZ-WIYYLYMNSA-N 356.466 2.562 0 50 FFAA Cc1ccc(CN2CCC(CNc3cc([C@H]4C[C@@H](O)C4)ncn3)CC2)o1 244874380 XAGLTELXDAMJIA-CALCHBBNSA-N 356.470 2.940 0 50 FFAA COc1ccc(C(NC(=O)[C@H]2C[C@H]2C(=O)O)c2ccc(OC)cc2)cc1 299753609 YUFIDRRBKHGYJX-DLBZAZTESA-N 355.390 2.630 0 50 FFAA CN(C)c1cc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)ncn1 67757375 VZBIQOLWWGYQJQ-HXUWFJFHSA-N 356.470 2.591 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(c2cnccn2)CC1 299783279 XYDQUZGCGKTROA-UHFFFAOYSA-N 364.371 2.823 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1 299799151 PTFTWKMFAZZWFT-UHFFFAOYSA-N 371.485 2.754 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCCc1nc2ccc(F)cc2[nH]1 827820463 RSXOXTJKAIPFOX-UHFFFAOYSA-N 357.433 2.734 0 50 FFAA Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC3(CC1)CNC(=O)O3)CC(C)(C)O2 584888184 JTOGCFGMSPKPJE-HNNXBMFYSA-N 373.453 2.881 0 50 FFAA O=C(NCCc1noc(C2CCC2)n1)N1CCN(c2ccc(F)cc2)CC1 584899301 DESANGYTTNRGND-UHFFFAOYSA-N 373.432 2.551 0 50 FFAA Cc1cc(C)nc(CNC(=O)c2ccc(-c3ncnn3C(C)C)cc2)n1 584901070 CWOIKZNEOMWBPW-UHFFFAOYSA-N 350.426 2.863 0 50 FFAA c1cc(N2C[C@@H]3CC[C@H](C2)O3)ccc1N=c1nc(C2CCOCC2)[nH]s1 1875267434 OOFHIBQOSFHZFI-CALCHBBNSA-N 372.494 2.965 0 50 FFAA O=C(C[C@H](O)C1CCCC1)Nc1cc(F)c(N2CCOCC2)cc1F 1875274372 YEKLFXAJORESIU-KRWDZBQOSA-N 354.397 2.681 0 50 FFAA COC(=O)c1ccc2ccccc2c1OC[C@@H]1C[N@]1Cc1cnn(C)c1 1875384987 KPAVOJGPWFPOAR-HJPURHCSSA-N 351.406 2.623 0 50 FFAA Cc1ccoc1CC(=O)NCC1CN(C(=O)c2ccc3cc[nH]c3c2)C1 1875388060 LOGAJTXODNBITQ-UHFFFAOYSA-N 351.406 2.500 0 50 FFAA C=CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)CCc2ccc(C(C)C)cc2)CCO1 1875386238 LMWKCKOUULDWLP-LPHOPBHVSA-N 358.482 2.661 0 50 FFAA C=CC(=O)NC1(CNC(=O)[C@@H]2CCc3ccccc3O2)CCCCCC1 1875386753 YAGGBDOJERIMPY-SFHVURJKSA-N 356.466 2.892 0 50 FFAA Cc1[nH]nc2c(-c3nc(CC(C)C)nn3CCN3CCOCC3)cccc12 1875330763 BINIKCLUABPQLQ-UHFFFAOYSA-N 368.485 2.661 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)c2nc(N)nc3c2CCCC3)c1 952964225 NGGBGRCTQRHMSG-QGZVFWFLSA-N 352.438 2.924 0 50 FFAA CCCN(Cc1cccc(OCC)c1)C(=O)Cc1c(C)nc(O)nc1O 952967384 BBNUGIHQZLPUEZ-UHFFFAOYSA-N 359.426 2.576 0 50 FFAA CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCO1 271646013 HJVMYUBMNIMZGC-QYZOEREBSA-N 358.482 2.540 0 50 FFAA CCOc1cc(NC2CCN(C(=O)C3(OC)CCCCC3)CC2)ncn1 185945805 MMPUECMPRMLWTR-UHFFFAOYSA-N 362.474 2.628 0 50 FFAA COc1ccc(C)cc1-n1ccc(C(=O)N(C[C@@H]2CCCN2)C2CC2)n1 186502138 LIDNSVZXVMXZFU-HNNXBMFYSA-N 354.454 2.546 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278849277 RKGKJBNCFMAPMG-JTQLQIEISA-N 354.332 2.857 0 50 FFAA O=C(N[C@H]1COc2ccccc2C1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 170625918 OOTVEQYBZLWMRD-ACJLOTCBSA-N 358.344 2.578 0 50 FFAA CCn1cc([C@H]2CN(Cc3nc(-c4ccc(F)c(C)c4)no3)CCO2)cn1 190803826 DAHRMOGOSYOHBZ-QGZVFWFLSA-N 371.416 2.974 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(F)c2F)CC1 192510070 FTBYIZXVRCUXLE-NSHDSACASA-N 360.426 2.635 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H]1CCOC1 1704313631 KQVDWKNYGWPWTI-CYBMUJFWSA-N 365.817 2.572 0 50 FFAA CC(C)NC(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 11662361 VJJDEHSHJLZALZ-HXUWFJFHSA-N 369.553 2.855 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 11753635 XTYQMMSWSNQPBY-OAHLLOKOSA-N 374.481 2.862 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11945676 BIUFBDUUMSAXGS-FQEVSTJZSA-N 358.413 2.687 0 50 FFAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccc(O)cc3)CC2)O1)c1ccco1 12026394 OTSUHEFQXPCICQ-SFHVURJKSA-N 370.449 2.929 0 50 FFAA CN1CCCN(C(=O)c2coc(COc3ccc(F)cc3Cl)n2)CC1 12297291 BCPLTOOTRKJHOY-UHFFFAOYSA-N 367.808 2.824 0 50 FFAA CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12303763 FSXWNFVBFWCCQJ-AWEZNQCLSA-N 366.845 2.898 0 50 FFAA C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12383845 BTZVVAVDHWKGMY-HNNXBMFYSA-N 360.479 2.747 0 50 FFAA O=C(CCn1cncn1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 12718138 PAKVWYCUFXLQPQ-NRFANRHFSA-N 373.545 2.953 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)CC[C@@H]3CCCCO3)no2)cn1 15069535 ACLCXTKOPYUSOU-HNNXBMFYSA-N 359.426 2.988 0 50 FFAA O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCCC1 19860087 OULOLQXMSZUALG-OAHLLOKOSA-N 370.902 2.504 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N[C@H]1CCCCCC[C@@H]1O 1857675078 KCDPWNWXAYDMHE-WMZOPIPTSA-N 357.454 2.771 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(OC)c(C)c2)cn1 1857690673 KXCPPEDBWYIQHB-UHFFFAOYSA-N 353.426 2.579 0 50 FFAA CC[C@@]12COC(=O)N1CCN(c1nccc(-c3ccc(C)nc3C)n1)C2 1857695197 ZGJWBPIXKVEZOM-LJQANCHMSA-N 353.426 2.576 0 50 FFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1C1CCS(=O)(=O)CC1 1857734280 HDESJUPPVVKRKD-ZDUSSCGKSA-N 362.451 2.708 0 50 FFAA CCc1cc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)n2ncnc2n1 301583556 VIMLTQGFYSKHMI-CQSZACIVSA-N 356.817 2.558 0 50 FFAA Cc1ccccc1[C@@H]1CN(c2nccc(N[C@H]3CCCOC3)n2)[C@@H](C)CO1 330052738 PNNPWFKLUQBNDA-LNLFQRSKSA-N 368.481 3.342 0 50 FFAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 237893643 XXVKQIDWXQKBPA-WOSRLPQWSA-N 367.287 2.867 0 50 FFAA Cc1c(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)nn2c1OCCC2 448983408 NMZZPEFUKJSEMG-UHFFFAOYSA-N 368.481 2.711 0 50 FFAA O=C(CN1CCOC1=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 821729485 YIBYXYUXOHGJCS-LLVKDONJSA-N 370.249 2.877 0 50 FFAA COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)ccc1C(=O)O 262850458 DCVSFYANVXODFD-LSDHHAIUSA-N 369.373 2.907 0 50 FFAA COc1cc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1O 4387107 ASJYIOQVWZECBV-GFCCVEGCSA-N 367.357 2.692 0 50 FFAA O=C(N=c1[nH]nc([C@@H]2CCCO2)s1)N1CCC=C(c2cccc(O)c2)C1 2325790147 RSTUEDWTVHSQHR-HNNXBMFYSA-N 372.450 2.838 0 50 FFAA C[C@@H]1C[C@H](c2ccccc2)CN1c1ccc(C(=O)N2CCNCC2)cn1 2325798647 MMABHZSABCTEDK-APWZRJJASA-N 350.466 2.509 0 50 FFAA Cn1c(NC(=O)c2cc(C3CCNCC3)[nH]n2)nc2ccc(Cl)cc21 2325799001 NHPZAIXNHURXGF-UHFFFAOYSA-N 358.833 2.669 0 50 FFAA CC(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1ccc(C3=CCCC3)cc1)C2 2325848283 CTWVKVKLGWOOLE-PZJWPPBQSA-N 354.450 2.621 0 50 FFAA Cn1nc2c(c1CN(Cc1ccccc1)[C@@H](CO)C1CC1)CSCC2 894466710 LDLUNRVJEJDSSV-FQEVSTJZSA-N 357.523 2.983 0 50 FFAA C=CC(=O)NCCC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 121861836 CWAAQRLSOYWFNE-SNVBAGLBSA-N 361.389 2.560 0 50 FFAA CCCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)c(O)co1 124869220 ZIXMQLCNWGPMJF-UHFFFAOYSA-N 350.802 2.850 0 50 FFAA Cc1nc(NC(=O)CSc2nnc(-c3ccncc3)n2C)sc1C 905168 PBXLRZRLGCPRLU-UHFFFAOYSA-N 360.468 2.681 0 50 FFAA COCCOC(=O)c1c(C)oc2ccc(OCC(=O)OC(C)C)cc12 1797996 MROWZNFWGZUAPE-UHFFFAOYSA-N 350.367 2.875 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2[nH]c3ccccc3c2CC)CC[C@H]1O 2356137995 DMLDCPXOTNKVEF-OXQOHEQNSA-N 358.438 2.808 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cnc(O)c(Cl)c3)C1)CC2 2356153935 AYEBUZAAUWPFDI-SFHVURJKSA-N 358.829 2.659 0 50 FFAA CCC[C@@]1(CO)CN(Cc2c(C)cc(C)cc2-n2cccn2)CC[C@@H]1O 2356168744 DJUHGFLBFIFHQR-SFTDATJTSA-N 357.498 2.835 0 50 FFAA O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 6744385 GVSFAQOFSPVDIL-MRVPVSSYSA-N 356.329 2.549 0 50 FFAA NC(=O)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc1Cl 225798497 AYMKWJLYNLBYIT-UHFFFAOYSA-N 357.719 2.783 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)/C=C/c3ccccn3)CC2)c1 20534246 KKDSIKMHTHJDGY-CMDGGOBGSA-N 366.461 2.947 0 50 FFAA Cn1cnnc1CC1CCN(Cc2nn(C)c3cccc(Cl)c23)CC1 55308387 WMSUOXHCIQALIC-UHFFFAOYSA-N 358.877 2.810 0 50 FFAA Cc1ccsc1CN(CCN(C)C)Cc1ccc(-c2nnn[nH]2)cc1 55074110 YHORMMZAUDLYEH-UHFFFAOYSA-N 356.499 2.800 0 50 FFAA COc1cccc(NC(=O)CN2CCN(Cc3cccc(F)c3)CC2)c1 20274418 BEORXLQSNCOEMQ-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA CCOC(=O)c1nn(CCOC)c2c1CN(CCCc1ccccc1)CC2 20706301 UUPLCWRNMTWWQJ-UHFFFAOYSA-N 371.481 2.697 0 50 FFAA Cc1nonc1CC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 11709246 OUNMZQZVWVGECA-LJQANCHMSA-N 370.497 2.900 0 50 FFAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCC[C@@]2(CCNC2)C1 67587626 QDWSGNSWRKVOHS-FQEVSTJZSA-N 352.438 2.830 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)N4)c(C)o2)cc1OC 67688333 WGWMJRXJJVFAEP-CVEARBPZSA-N 357.454 2.994 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328654975 XXBVGNHITUPPEV-HNNXBMFYSA-N 369.469 2.663 0 50 FFAA CCC[C@H](NC(C)=O)C(=O)NCc1cccnc1Oc1ccccc1F 67819843 ZYINEISTJNLVGW-INIZCTEOSA-N 359.401 2.934 0 50 FFAA O=C([C@H]1CCCC(O)=N1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 328820538 QSTIVULPFTYCKU-CQSZACIVSA-N 355.360 2.863 0 50 FFAA CN(CCN1CCCCCC1)c1nc(-c2ccncc2)nc2c1cnn2C 72407007 VAPIFJYXKQGHES-UHFFFAOYSA-N 365.485 2.738 0 50 FFAA O=C(NCCc1noc(C(F)(F)F)n1)c1cc(F)c(F)cc1Cl 219484618 UVBIJLHUTYOWST-UHFFFAOYSA-N 355.650 2.993 0 50 FFAA CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C1 330792494 URDHXWOPMWTQMB-OLZOCXBDSA-N 358.360 2.962 0 50 FFAA C[C@H](NC(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C 360487002 ADKBXMCRNYLGHE-KBPBESRZSA-N 369.469 2.807 0 50 FFAA COc1ccccc1N1CC[C@H](NS(=O)(=O)Cc2ccccc2F)C1 153031398 NKGJPUMLWPFUOD-HNNXBMFYSA-N 364.442 2.533 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)c3ccc(F)cc3Cl)nn2)n1 72117457 BAGXKTDQEUCAJR-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2[C@@H]1CO 332950193 XKXXJAHWKSJTHK-CTNGQTDRSA-N 365.477 2.562 0 50 FFAA O=C(NC[C@@H]1CCCNC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 333882535 WMPXBLAUZPUYGU-MLGOLLRUSA-N 355.841 2.562 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)Nc3ccccc3)ncn2)c1C 72116047 PFBFDIKPENQSNX-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1 39445646 AUBOHTZYZXHION-JOCHJYFZSA-N 359.558 2.736 0 50 FFAA O=C(CCc1ccc(-c2ccccc2)cc1)N1C[C@@H](CO)C[C@@H](CO)C1 219419206 IYCWKBYOOHQZPA-KDURUIRLSA-N 353.462 2.736 0 50 FFAA CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1 219668641 SSWIQIUOBLUKHT-VQTJNVASSA-N 350.466 2.505 0 50 FFAA CO[C@@H](C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1)c1ccccc1 77535453 TULXUWLDTDATPV-HXUWFJFHSA-N 352.434 2.554 0 50 FFAA CC(C)CC1(NC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)CC1 71748510 HECWIPDOVWOJTG-MRXNPFEDSA-N 373.497 2.671 0 50 FFAA COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(Cl)c1Cl 158676265 HXNUMJJWPSSJBJ-IUCAKERBSA-N 366.266 2.678 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccc(-c2cc[nH]n2)cc1 77506149 HFWPFNMLILAWTH-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA COc1cccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 376607498 YASADPQPRXMNRJ-GUDVDZBRSA-N 367.449 2.804 0 50 FFAA Cn1nccc1[C@H]1[C@H](NC(=O)CC2=CCCCC2)CCC(=O)N1C1CC1 285270825 NFOQUORXWVIWHI-OXQOHEQNSA-N 356.470 2.621 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc(F)cc2)C3)cn1 220256303 PZHCJBQNCCRJMB-UHFFFAOYSA-N 352.369 2.818 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@H](CN)C2)o1 178557005 DWNLDOYUXMTFCW-HNNXBMFYSA-N 350.422 2.862 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)c12 263495953 XTVIPLYFXLLBLI-RYUDHWBXSA-N 366.421 2.783 0 50 FFAA O=C(Nc1cccc(CN2CCCC2)c1)c1cnc2sccn2c1=O 46623543 VKGDJLXIOQFUMC-UHFFFAOYSA-N 354.435 2.604 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2ccc(-c3cnc(O)nc3)cc2)CC1 426566855 HCZVMTCVHQWEJT-UHFFFAOYSA-N 363.421 2.564 0 50 FFAA Cc1ccc(C(C)(C)NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1 426555683 UAMBGEFEZPYTIT-LJQANCHMSA-N 359.514 2.718 0 50 FFAA O=C(NCCc1c[nH]c2ccccc12)N1CCN(C2CCSCC2)CC1 426500018 AHKDUJZFHGIZCS-UHFFFAOYSA-N 372.538 2.933 0 50 FFAA CN(C)C(=O)CCc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1F 97527378 QBAFVEREBBSOMH-GOSISDBHSA-N 373.428 2.702 0 50 FFAA CSCCc1nc(-c2cnc(C)[nH]c2=O)n(-c2ccccc2Cl)n1 96139052 WMBSXXVUFQEYSI-UHFFFAOYSA-N 361.858 2.885 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@H]1c1cccnc1 91460523 XNGQHHZTGFTLLD-ZWKOTPCHSA-N 365.433 2.622 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)s1)C2 91411930 DVXXEZTXINJGJE-CHWSQXEVSA-N 362.886 2.928 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3cccc(-c4nnn[nH]4)c3)[nH]n2)s1 91391275 QNIBNBCLXWASPA-UHFFFAOYSA-N 365.422 2.557 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N[C@H](C)Cc3cccnc3)CC2)c1 95352058 IICVIEAXXMLTBO-LJQANCHMSA-N 366.509 2.650 0 50 FFAA O=C(c1ccc2nccn2c1)N1CCCN(C2Cc3ccccc3C2)CC1 91873215 XPZLROFQNRYIFE-UHFFFAOYSA-N 360.461 2.650 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N(C)CCc1scnc1C)CC(=O)N2 91468866 ROSXJUAGAZUROZ-CQSZACIVSA-N 359.451 2.587 0 50 FFAA CCc1nc(C)sc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(OC)c2)C1 91469033 KQHIQZUCFJNMES-LSDHHAIUSA-N 374.462 2.963 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc(=O)[nH]1 95384439 JUYLKRDQVCTFRC-QGZVFWFLSA-N 355.463 2.501 0 50 FFAA O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccco2)C1 95522369 LHERMBBXEXYOBS-MRXNPFEDSA-N 356.422 2.579 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@H]1CCc2ccccc2O1 97766540 KCJXHUFIXRNXID-QGZVFWFLSA-N 360.417 2.971 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 95497094 FPIVKGROYGFDJS-FUHWJXTLSA-N 374.444 2.826 0 50 FFAA O=C(NCc1nc(-c2ccc(F)cc2)no1)C1(N2CCCC2)CCCC1 244708320 KRQCLLCTYZIXQZ-UHFFFAOYSA-N 358.417 2.901 0 50 FFAA Cn1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)n1 244884259 YILWWDZQWWQDBV-UHFFFAOYSA-N 356.426 2.532 0 50 FFAA Cc1cccc(N2CCN(CCCOc3ccc(C(N)=O)cc3)CC2)c1C 244734809 NMILSDFWASKCNC-UHFFFAOYSA-N 367.493 2.993 0 50 FFAA CCN(CC)c1ccc([C@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)cc1 245231968 NBLIITIVEKGZFS-CGXNFDGLSA-N 359.466 2.751 0 50 FFAA CC(C)Cc1cc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc(O)n1 183486344 ASXYTVNQHPVEOB-INIZCTEOSA-N 353.422 2.842 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C=C[C@H]1[C@H]1[C@H]3C4[C@H]5C=CC(C=C[C@@H]45)[C@H]3[C@H]12 252427226 XQNVACDZHJISQC-JZHYSUTOSA-N 350.414 2.541 0 50 FFAA Cc1cccc(N2CCN(Cc3ccc(OCC(N)=O)c(Cl)c3)CC2)c1 252495638 OUWOYZLCIMZJJK-UHFFFAOYSA-N 373.884 2.835 0 50 FFAA COc1ccc2oc(CNC(=O)N3CCCC[C@H]3c3nc(C)no3)nc2c1 534645966 IYSQJIRZBPKOSE-AWEZNQCLSA-N 371.397 2.965 0 50 FFAA CN(Cc1ccccc1)C(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263619126 XATJGNXQVHSNAJ-GOSISDBHSA-N 366.396 2.961 0 50 FFAA Cc1nc2sccn2c1C(=O)NC[C@@]1(c2ccc(F)cc2)CCOC1 65370403 GCIAMIXKPOQVTC-SFHVURJKSA-N 359.426 2.931 0 50 FFAA CCCc1nnsc1C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 299765153 XIEKTFPZSUDEAR-LLVKDONJSA-N 364.858 2.679 0 50 FFAA COCCN1CCC[C@@H](CN(C)C(=O)Nc2ccnn2-c2ccccc2)C1 299783280 XZIGPFVKTDBFBW-KRWDZBQOSA-N 371.485 2.694 0 50 FFAA CN1CCC2(CCN(C(=O)CN3CCC(c4ccccc4)CC3)CC2)C1 299796593 NMDGKYMCCJCRRV-UHFFFAOYSA-N 355.526 2.810 0 50 FFAA CCN1CC[C@@H](NC(=O)N2CCN(c3cccc4ccccc34)CC2)C1 584885527 QPBHMRBRVDPZFZ-GOSISDBHSA-N 352.482 2.766 0 50 FFAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@]2(C)CCCO2)CC1(C)C 865215830 ZGQMONSXHWHNLF-SFHVURJKSA-N 350.463 2.876 0 50 FFAA COC(=O)c1cc(Br)c(NCCc2cc(C)no2)nc1C 1875271992 PPNDOTIGKIZBGK-UHFFFAOYSA-N 354.204 2.890 0 50 FFAA C=CC(=O)N(Cc1cn(C)nc1I)C1CCCCC1 1875326572 MBHLTGSKVYFBBN-UHFFFAOYSA-N 373.238 2.872 0 50 FFAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2cc3ccccc3c(O)n2)C1 1875395630 HELKUAMACBBWIZ-BCHFMIIMSA-N 373.478 2.807 0 50 FFAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cccc2c1NCCC2 1875400287 VZYVBGHSJUALFA-FSPWUOQZSA-N 360.889 2.824 0 50 FFAA CCNC(=O)c1cc(NC(=O)c2cnc(N(C)C)nc2C)ccc1Cl 952990290 UNSQXTVBQWBOMX-UHFFFAOYSA-N 361.833 2.506 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2cccc3[nH]ccc23)CC[C@H]1C(F)(F)F 886066053 RSJPTMKVPCAVFE-ABAIWWIYSA-N 353.344 2.840 0 50 FFAA O=C(O)c1ccccc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccncc1)C2 1565516520 FCDHLCIRBKCXIQ-YJBOKZPZSA-N 365.433 2.516 0 50 FFAA CCc1nn(C)c(OC)c1CNC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 276375180 XTTHZVOQQMHDDX-LBPRGKRZSA-N 362.396 2.864 0 50 FFAA Cc1ccc2nnc(CNc3nn4cc(C5CCCC5)nc4s3)n2n1 170610793 DUEUVTBSLWZLSW-UHFFFAOYSA-N 354.443 2.807 0 50 FFAA Cc1nsc(N2CCN(C(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)n1 187235994 BPUWXIGNIGYWOZ-ZDUSSCGKSA-N 369.494 2.791 0 50 FFAA CC(C)OCCS(=O)(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 188342240 BALITWAMJZJXEM-BBRMVZONSA-N 361.891 2.857 0 50 FFAA Cc1cccc(S(=O)(=O)N2CCN(c3ncnc4ccsc34)CC2)c1 193460528 TWOKNDAWAKELIS-UHFFFAOYSA-N 374.491 2.511 0 50 FFAA COc1ccc2c(NC(=O)[C@H](C(C)C)N3C[C@H](C)O[C@@H](C)C3)n[nH]c2c1 194818194 FLPKKTGRKSQLHW-DCGLDWPTSA-N 360.458 2.644 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@H](C)Oc2cccnc2)c(Cl)cc1F 1506427561 KWOFHOOUEPZDCW-NSHDSACASA-N 358.822 2.928 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3COC[C@H]3Cc3ccncc3)c(C)c2c1 1529181401 NSZLKVBTDWNZJO-BEFAXECRSA-N 365.433 2.867 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c(C)c1 1529091140 OFYLJAQRBNRTTC-WIYYLYMNSA-N 366.461 2.902 0 50 FFAA Cn1nccc1C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297518 BNMZUOSHTKJARE-QFIPXVFZSA-N 373.460 2.997 0 50 FFAA C/C=C(\C)CN1C[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@@]2(CN(C)C)C1 1772819984 ZIXKWZHDDSOEAQ-MAOSPJFKSA-N 370.541 2.600 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(CN3CCCCC3)s1)C2 1772704725 DRBVUAOTBHFUOB-BEFAXECRSA-N 364.511 2.657 0 50 FFAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)C2=CCCC2)CC3)n1 11785746 CLBBSZMOCDRGBU-SFHVURJKSA-N 353.466 2.745 0 50 FFAA Cn1ccnc1CN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 11820215 UJTQWZULYQJCOG-FQEVSTJZSA-N 374.435 2.713 0 50 FFAA CN(C[C@@H](O)c1ccccc1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 11933999 WSYVWXHKWCAVFF-GOSISDBHSA-N 370.840 2.785 0 50 FFAA O=C(CCC1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1)NC1CC1 11934224 VDKARRMLQWBUQC-UHFFFAOYSA-N 372.465 2.645 0 50 FFAA O=C(NCc1ccco1)c1nc(Cn2c(C(F)F)nc3ccccc32)no1 16577606 IYNFQRSKKIXLAW-UHFFFAOYSA-N 373.319 2.928 0 50 FFAA O=C(NCCCn1ccnc1)C1CCN(C(=O)c2ccccc2Cl)CC1 16648013 FXEVQAJBXHBXNL-UHFFFAOYSA-N 374.872 2.595 0 50 FFAA COc1cccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c1 169768703 MTCDLZWUNPINQE-UHFFFAOYSA-N 365.437 2.577 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc(OC)c(OC)c(OC)c1 1857673848 LRRGBRGEUUEDRJ-IOHHAYIISA-N 363.410 2.570 0 50 FFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3[C@H]3C[C@H]4CC[C@@H]3N4)cc2c1 1857684600 UNYZCMIKTXEHBP-BVGQSLNGSA-N 350.422 2.856 0 50 FFAA CC(C)Cn1cncc1CN1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857688044 QPUUMLXXVWJUQZ-OAQYLSRUSA-N 368.481 2.788 0 50 FFAA CCC(C)(C)C(=O)NC[C@H]1[C@H]2CN(c3nc(C)ncc3C)C[C@]23CC[C@H]1O3 1857721791 GGWRECDGTWGHFK-BIZBXSGISA-N 372.513 2.630 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)C4(C)CC4)[C@H]4CC[C@]3(C2)O4)cc(C)n1 1857737635 WFWCBTAEVRBCLH-XKGFGPFHSA-N 355.482 2.599 0 50 FFAA CC(C)(C(=O)N1CCC(Oc2ccccc2Cl)CC1)S(C)(=O)=O 330412497 ACPOWNGBCVWMAQ-UHFFFAOYSA-N 359.875 2.533 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](N)C[C@@H]2C)c(Br)c1 237602774 NPELVGPMSFFLHA-YNEHKIRRSA-N 355.276 2.863 0 50 FFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)nn2)n1 11697172 XAOUSKCZVBRGOK-UHFFFAOYSA-N 354.458 2.618 0 50 FFAA O=C1C[C@H](C(=O)Nc2ncccc2OCc2cccc(Cl)c2)CCN1 151635618 HVLQOZRRNOHZRU-CYBMUJFWSA-N 359.813 2.779 0 50 FFAA C[C@H](Nc1cc(Cl)cc2c1OCC2)C(=O)Nc1sccc1C(N)=O 164407572 QMLJJFGGMZADRX-QMMMGPOBSA-N 365.842 2.874 0 50 FFAA C[C@H]1Cc2cc(S(=O)(=O)NCc3nc(C(C)(C)C)co3)ccc2O1 907946373 NKYYYISZQZIZED-NSHDSACASA-N 350.440 2.774 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(c2cc(N4CCC[C@H](CO)C4)ncn2)C3)cc1 2325780829 ROOFBOKZVOPZBM-LRXVAGHRSA-N 364.493 2.772 0 50 FFAA COc1cccc2[nH]c(CN[C@@H]3C[C@H](Cn4cc(Cl)cn4)C[C@H]3O)cc12 2325785563 DTBZOICERALAAO-JBBXEZCESA-N 374.872 2.956 0 50 FFAA CC[C@@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(C(F)F)o2)C1)C(C)C 2325793803 IFUBUJPLSZZLGY-LBPRGKRZSA-N 372.412 2.593 0 50 FFAA Cc1cccc(Br)c1S(=O)(=O)Nc1cnn2cccnc12 2325818758 WWWVFVQBZKXJTP-UHFFFAOYSA-N 367.228 2.601 0 50 FFAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc2nc(=N)[nH]n2c1 2325854158 QDSVDAMCCVTRPH-UHFFFAOYSA-N 362.368 2.904 0 50 FFAA CC[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2ncon2)cc1 2325866852 BXMAHRNWACIXPK-CQSZACIVSA-N 358.442 2.703 0 50 FFAA O=C(CCF)N[C@@H]1CN(C(=O)c2ccc3cccnc3c2)CC12CCC2 2325871789 ZWXMRASYEFHTCS-QGZVFWFLSA-N 355.413 2.705 0 50 FFAA COc1ccc(N([C@H](C)C(=O)Nc2cccc(C)c2)S(C)(=O)=O)cc1 647827 IRWLDDKCYQKFIM-CQSZACIVSA-N 362.451 2.797 0 50 FFAA COc1cc([C@H](O)CN[C@H](C)CCn2cnc3ccccc32)ccc1O 2019983 NKKPVWPMPWLEMY-AUUYWEPGSA-N 355.438 2.852 0 50 FFAA in-man O=C(O)c1c(N2CCN(C3CCCC3)C(=O)C2)noc1-c1ccccc1 2356158536 NWAKJFUQNHGWBN-UHFFFAOYSA-N 355.394 2.631 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4184902 VABIQKPCCCDSJK-QZTJIDSGSA-N 356.447 2.916 0 50 FFAA COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 4412726 QVONUKWCRYDIRR-UHFFFAOYSA-N 367.449 2.924 0 50 FFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1 4833387 BKXHVAHZJLAYMN-UHFFFAOYSA-N 359.179 2.684 0 50 FFAA O=c1c2ccccc2nc(CNC[C@H]2CCCO2)n1-c1ccc(F)cc1 55545165 XOJQQRIRRCRXEJ-MRXNPFEDSA-N 353.397 2.793 0 50 FFAA Cc1nnc(SCC(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)s1 55575464 YNZUHCQKAIKGPJ-UHFFFAOYSA-N 363.464 2.859 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](CN2CCOCC2)C1 69745226 AZNWHXASISZWJN-INIZCTEOSA-N 370.415 2.819 0 50 FFAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCCc1nc(-c2ccco2)no1 65527751 WFFOENRHIWIJMS-GFCCVEGCSA-N 358.402 2.702 0 50 FFAA O=C1C[C@@H](c2nc(-c3ccccc3)no2)c2c(nc3sccn23)CN1 65490991 MIYIXSZWSIAGQK-LLVKDONJSA-N 351.391 2.598 0 50 FFAA O=c1cc(C2CC2)nc(-c2ccc(CN3CC[C@@H](n4ccnc4)C3)cc2)[nH]1 23153362 HKLVEJJRVUFQRH-GOSISDBHSA-N 361.449 2.958 0 50 FFAA Cc1cnn(CCC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 71589717 XBRABWRBSNOEFL-CEMLEFRQSA-N 364.493 2.670 0 50 FFAA CC(C)COC(=O)N1CCC(C(=O)NC[C@@](C)(O)C2CCCCC2)CC1 252492508 MOIDAXUUEFQPET-HXUWFJFHSA-N 368.518 2.939 0 50 FFAA C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 229703977 XHUVQLXAJPBOGD-UONOGXRCSA-N 364.515 2.631 0 50 FFAA O=C(O)c1[nH]ncc1CN1CCC(c2n[nH]cc2Cc2ccccc2)CC1 67642749 UNZXUYQYUYGLDV-UHFFFAOYSA-N 365.437 2.801 0 50 FFAA CCc1noc(C)c1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F 120837251 FKVZQCITLDNUPW-UHFFFAOYSA-N 350.325 2.606 0 50 FFAA Cc1cc(C)n(CCC(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)n1 12306712 RSIGHWWDIARBTN-HNNXBMFYSA-N 352.442 2.657 0 50 FFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cnn(C)c2C)cc1 215623099 GKZDUPRTZYWJNV-GOSISDBHSA-N 357.454 2.601 0 50 FFAA CN(C)c1ccc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cn1 154128746 ISNPBCILQFEEBQ-UHFFFAOYSA-N 374.435 2.820 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 13324359 VOGJTDJWSHQDHB-UHFFFAOYSA-N 368.437 2.608 0 50 FFAA C[C@H](c1nc(-c2ccc(O)cc2F)no1)n1nnc(-c2ccccc2)n1 445457430 RXUNCPXQPGUCNS-SNVBAGLBSA-N 352.329 2.844 0 50 FFAA Cc1ccc(OC2(C(=O)NCCc3nc(C)c(C)s3)CCNCC2)cc1 77303015 NYKLJJDTLVZCOJ-UHFFFAOYSA-N 373.522 2.928 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCCC[C@@H]1CCn1cccn1 72155972 OHHWTFVFALTFJA-MRXNPFEDSA-N 350.426 2.549 0 50 FFAA O=C(c1cnn([C@H]2CCCNC2)c1)N1CCCCC[C@@H]1c1ccncc1 333871381 UQQMLYBNIYJJEG-RBUKOAKNSA-N 353.470 2.960 0 50 FFAA Cc1c[nH]c(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)n1 77387140 DXIMZKVZJJEDNI-HXUWFJFHSA-N 356.445 2.986 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CC=CC1 71760239 BYSHPGSTJJFLGW-OAQYLSRUSA-N 367.537 2.804 0 50 FFAA Cc1ccsc1CN(Cc1ccccn1)C(=O)c1cccn(C)c1=O 216152646 ZDNVBWDCALMBQW-UHFFFAOYSA-N 353.447 2.993 0 50 FFAA COCCCN(C(=O)c1cc2cc(OC)ccc2[nH]1)C1CCN(C)CC1 72477035 YCCGBDKOFYCSED-UHFFFAOYSA-N 359.470 2.749 0 50 FFAA COc1ccccc1[C@H]1CN(c2nc(CO)cs2)[C@@H]2C3CCN(CC3)[C@H]12 72153438 SOYFQPCQRWMFBS-BHIYHBOVSA-N 371.506 2.711 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3[nH]nc(CC)c3C)C2)CCC1=O 77440043 SMQVVQUZZHBOGI-HXUWFJFHSA-N 360.502 2.925 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1ccccc1Br 46569603 IRRUAVRYZANTFS-UHFFFAOYSA-N 358.195 2.798 0 50 FFAA CCCO[C@@H](C)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82148031 XRUQKGOXNGMNEC-INIZCTEOSA-N 362.518 2.853 0 50 FFAA O=S(=O)(C[C@@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 178391118 YMWFGMUXGKQZPR-GDBMZVCRSA-N 351.468 2.779 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3ccc4nccnc4c3)CC2)nn1 48393878 HHIJLZVFSJRPBY-UHFFFAOYSA-N 364.453 2.996 0 50 FFAA CCc1noc(CCNC(=O)c2ccc(-c3cncc(OC)c3)cc2)n1 426613000 VLCCJIDRLVBSNH-UHFFFAOYSA-N 352.394 2.675 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1c(C)nc(=O)[nH]c1C 221267591 NKJOIMWGDABWAE-GOSISDBHSA-N 355.438 2.522 0 50 FFAA CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426489607 JHNRIOQEVDNWIP-LJQANCHMSA-N 367.449 2.879 0 50 FFAA CCC1=NO[C@H](CNC(=O)c2cccc(-c3ccc(C(=O)NC)cc3)c2)C1 426493119 FXXDVMMPKBYBBH-IBGZPJMESA-N 365.433 2.998 0 50 FFAA CCOC(=O)c1ccc(-c2cccc(C(=O)N[C@H]3CCCNC3=O)c2)cc1 426434431 HSBRMDHTRUPZNL-SFHVURJKSA-N 366.417 2.539 0 50 FFAA Cc1nnc(SCCNC(=O)[C@@H]2CCCN2Cc2ccccc2)s1 220734742 UXGAWUZZJMKPSN-HNNXBMFYSA-N 362.524 2.719 0 50 FFAA O=C(NCc1ccccc1)C1CCN([C@H]2CCOC3(CCOCC3)C2)CC1 82120236 VRCYMNSKGRKQMC-FQEVSTJZSA-N 372.509 2.743 0 50 FFAA CN1CCO[C@@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 96166525 VVTKJKXQGQJJIW-INIZCTEOSA-N 366.421 2.947 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1ccccc1-n1cccn1)CC2 97604045 HPGYSISDRSOFBI-GOSISDBHSA-N 355.438 2.673 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc12 95520413 DEJVDQDXLNQMGF-OALUTQOASA-N 355.482 2.997 0 50 FFAA CCCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O 96101541 SYJGSHWCKLKMHW-UHFFFAOYSA-N 367.493 2.521 0 50 FFAA CC(=O)c1cccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 91943026 SIXOBQWODCVZJU-NRFANRHFSA-N 354.450 2.754 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91829390 LJCXYGKAVKEANM-BGYRXZFFSA-N 367.445 2.614 0 50 FFAA CCCc1nnc(N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)s1 95359662 NMHYHIOICHIPGJ-SCLBCKFNSA-N 359.451 2.633 0 50 FFAA COc1cc(NC(=O)NCCCn2nc(C)nc2C)c2ncccc2c1 95510372 UXTYLHJPPXNROT-UHFFFAOYSA-N 354.414 2.664 0 50 FFAA COc1c(C)cc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)cc1C 95367960 PENWARMDMVZSEO-LJQANCHMSA-N 369.465 2.651 0 50 FFAA CCn1c(=O)n(CC)c2cc(NC(=O)N(C)Cc3nnc(C)o3)c(C)cc21 96150061 PPRABRHRQAZWNQ-UHFFFAOYSA-N 372.429 2.507 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cccn3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 95391606 XDOQHIJGSNCYCN-HMXCVIKNSA-N 365.477 2.736 0 50 FFAA COc1ccccc1NC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91526595 YZHURKBMDOOUAL-JKSUJKDBSA-N 357.454 2.950 0 50 FFAA O=C(COc1ccc(F)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 91289159 QDHKOPRPQQWZFN-PKOBYXMFSA-N 369.440 2.723 0 50 FFAA Cc1nsc(N2CCCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)n1 181125322 CWQHIDOJYWEQHD-UHFFFAOYSA-N 369.494 2.999 0 50 FFAA COc1ccc([C@@H](NC(=O)COc2ccc(C)c(C)c2)[C@H]2C[C@@H](O)C2)cn1 243956775 CDTJVVANTPOCGT-LLGFUMIMSA-N 370.449 2.714 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 252536017 HLOHOASDHFVPRW-NBQZKYEYSA-N 353.397 2.804 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H](Cc3ccccn3)[C@H]3C[C@H](O)C3)cc2o1 252552460 USSAEGXUCCDKHQ-ZVZYQTTQSA-N 351.406 2.643 0 50 FFAA O=C(NC1CCN(c2ncccn2)CC1)C1(c2ccc(F)cc2F)CCC1 183029803 RDWOIANBODHYIE-UHFFFAOYSA-N 372.419 2.962 0 50 FFAA N=c1cc[nH]c(-c2ccc(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)cc2)n1 534640185 XARAXNHHXWQBMT-SFHVURJKSA-N 366.465 2.977 0 50 FFAA Cc1ccc(CN2CCN(C(=O)NCc3ccnc(C)c3)[C@@H](C)C2=O)cc1 534576652 NQZFJECZDIMSLD-KRWDZBQOSA-N 366.465 2.641 0 50 FFAA COCCn1cncc1CNC(=O)COc1ccc(Cl)c(Cl)c1 299763384 VDPUYGPXTCFTBB-UHFFFAOYSA-N 358.225 2.532 0 50 FFAA COCCn1cncc1CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 299799477 SMZSDGFJERAYHF-UHFFFAOYSA-N 359.817 2.503 0 50 FFAA O=C(Nc1cccc2c1OCC[C@H]2O)c1cn(Cc2cccc(F)c2)nn1 185398568 QFKUPDLSGHIDQN-QGZVFWFLSA-N 368.368 2.534 0 50 FFAA COc1cccc(SCC(=O)N2CCC(O)(c3ccccn3)CC2)c1 824787820 MNLMUPVCECJIEV-UHFFFAOYSA-N 358.463 2.693 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)[C@H](C)Cn2cncn2)cc1 824668719 AYUDEPRVVQMHQO-MRXNPFEDSA-N 365.437 2.547 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc(C(C)C)nc(N)n2)C1 827587186 MURQXESIJVAJKU-MRXNPFEDSA-N 367.497 2.710 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)c1csc(-c2ncccn2)n1 670460051 OZUZTYZAFWZKPD-UHFFFAOYSA-N 369.454 2.627 0 50 FFAA CC(=O)N1CC[C@](CNc2cnc3ccccc3n2)(C2CCOCC2)C1 1875335990 OHDYASHVSZDDAG-HXUWFJFHSA-N 354.454 2.707 0 50 FFAA O=C(O)[C@H](CCO)NC(=O)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 1875313509 OLMTYCNYGUJISF-SJORKVTESA-N 361.825 2.618 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(-c2ccccc2)cn1 1875403426 WSXZXOFURHOMQA-CWFSZBLJSA-N 362.433 2.515 0 50 FFAA Cc1cccnc1CCC(=O)N1C[C@@H](C)CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1C 1875406625 ILEXNMLQGXPIEY-XOYOTBSWSA-N 357.498 2.674 0 50 FFAA Cc1c([C@H]2CN([C@@H](C)CCc3cccc(F)c3)C[C@@H]2C(=O)O)cnn1C 888079204 KQEFCTTZWJJHEO-BKTGTZMESA-N 359.445 2.989 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)CN2CCCCCC2=O)CC1 91663269 MRXSYDYHFCJTFH-UHFFFAOYSA-N 360.502 2.792 0 50 FFAA Cc1nc(C(F)(F)F)c(CN2C(=O)C[C@]3(CCSC3)C2=O)s1 408213754 DCGDITRSCRHHOA-LBPRGKRZSA-N 350.387 2.853 0 50 FFAA O=C1CCCC[C@@H](C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)N1 193967669 IHTZKMVJEJATPP-INIZCTEOSA-N 357.385 2.688 0 50 FFAA CCCCc1ncc(CN2CCCN(C(=O)c3cc(C4CC4)no3)CC2)[nH]1 1529100450 UALFVWNPDPGZDT-UHFFFAOYSA-N 371.485 2.966 0 50 FFAA O=C(C(=O)N1CCC(CO)(Cc2cccc(F)c2)CC1)c1ccccc1 11953611 RLCQIEOHQAIGMM-UHFFFAOYSA-N 355.409 2.852 0 50 FFAA CC(C)C(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 12587313 MMYAZEZXNKWHJQ-IBGZPJMESA-N 371.525 2.662 0 50 FFAA O=C(NCc1ccco1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 15076445 KTKIFQQLPNPKGS-UHFFFAOYSA-N 368.433 2.989 0 50 FFAA Fc1cccc(Cc2noc(CN3CCN(c4ccncc4)CC3)n2)c1 19145304 LSYLGZPYPPYOOX-UHFFFAOYSA-N 353.401 2.517 0 50 FFAA COc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OC 19898439 WBPFHHFGYPENDX-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA N=c1cc(-c2nccn2CC2(N3CCOCC3)CCCCCC2)cc[nH]1 1857690131 BCSCOVYBLXGSID-UHFFFAOYSA-N 355.486 2.783 0 50 FFAA CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)c1 8844249 DPGHETFMIWWNRO-UHFFFAOYSA-N 357.435 2.582 0 50 FFAA CN[C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 133785400 MJCHHRBBJGLMOG-CHWSQXEVSA-N 370.280 2.557 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 248028192 KZZZWSNFFULDDD-WMZOPIPTSA-N 354.498 2.999 0 50 FFAA O=C(c1ccnc(OC2CCC2)c1)N1CC[C@@](CO)(c2ccccc2)C1 368289870 AQTBKKILZIPMQQ-OAQYLSRUSA-N 352.434 2.789 0 50 FFAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325790586 WSWYIIUDIQPLRW-CABZTGNLSA-N 363.776 2.546 0 50 FFAA O=C(c1cccnc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 860284 LQCQTNQPWAEJAW-UHFFFAOYSA-N 364.493 2.504 0 50 FFAA COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 2703605 MASRBWPLEUDFCS-SFHVURJKSA-N 365.385 2.993 0 50 FFAA COc1cc2cc(C(=O)NCCOc3ccccc3)c(N)nc2cc1OC 2812187 JICUOSFZERIJJT-UHFFFAOYSA-N 367.405 2.643 0 50 FFAA COc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1 1178365 MQKVZUVMMMSGQA-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCc1cccs1 20102120 JTRNXNBHTZCDSG-UHFFFAOYSA-N 374.429 2.805 0 50 FFAA COc1ccccc1/C=C/CN1CCC(n2cc(CCCO)nn2)CC1 55369145 PLMDQOZIILWLIT-QPJJXVBHSA-N 356.470 2.562 0 50 FFAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 249860199 QDQZNPUOHFUUHI-XWUBHJNHSA-N 354.372 2.921 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3ccccc3C)nn2)n1 65365573 RUNCBRIVEHYUCD-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA COc1cccc(-n2cc(-c3ccnc(N4CCCOCC4)n3)cn2)c1 20774535 CQMBUHHKEKQISH-UHFFFAOYSA-N 351.410 2.565 0 50 FFAA CCc1c[nH]nc1C1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 67587207 UBZNPFCVXPFDMZ-GOSISDBHSA-N 370.501 2.733 0 50 FFAA CC(C)c1noc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)n1 68162797 KLILRRXSRYDFAG-MRXNPFEDSA-N 370.453 2.547 0 50 FFAA Cc1ccc(Sc2cc(NCc3cc(=O)[nH]c(C)n3)nc(N)n2)cc1 23429756 ACQUCBJAVVLTEH-UHFFFAOYSA-N 354.439 2.522 0 50 FFAA Cc1ccc(C(=O)NCCc2[nH]nc3c2CCCC3)cc1NC(=O)C1CC1 67896043 GCGGGGUPYJWBBQ-UHFFFAOYSA-N 366.465 2.918 0 50 FFAA Cc1nc(CCNC(=O)c2ccc(F)cc2)n(-c2ccc(F)c(F)c2)n1 65470688 RSDWRNCWNNEBRO-UHFFFAOYSA-N 360.339 2.966 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(SCCO)cc1 72474718 MLYIRSPULAWAEX-IBGZPJMESA-N 370.518 2.900 0 50 FFAA CC1(C)N=C(O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 864186 FQIJHWORSKDRDL-CYBMUJFWSA-N 351.406 2.690 0 50 FFAA COc1cccc(OC)c1CC(=O)Nc1ccc(-c2ncn(C)n2)cc1 152722581 OBFXQQDABBGHKA-UHFFFAOYSA-N 352.394 2.681 0 50 FFAA O=C(O)[C@@]1(Cc2ccc(F)cc2F)CCCN(c2ncnc3[nH]cnc23)C1 71750639 SUJJACXPMSWFLD-GOSISDBHSA-N 373.363 2.545 0 50 FFAA CC[C@H](C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F)n1nc(C)c(Cl)c1C 6555275 UKKMRRXBOJICHU-MFKMUULPSA-N 366.771 2.964 0 50 FFAA NC(=S)c1ccc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)cc1 363395468 MKXGTXYGWWKPHY-UHFFFAOYSA-N 373.522 2.576 0 50 FFAA Cc1cc2c(N3CCC[C@H]3c3nc(C(=O)NC4CC4)no3)ncnc2s1 328625085 KKBLAHFMYSHPMQ-LBPRGKRZSA-N 370.438 2.616 0 50 FFAA CCC(CC)C(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)n2)CC1 72434191 XIYOKGPTWMTTEZ-UHFFFAOYSA-N 370.501 2.672 0 50 FFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccnc(OC2CCC2)c1 369250506 LSAIJHUJDKTRKG-INIZCTEOSA-N 356.426 2.567 0 50 FFAA C[C@@H](O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H]1C 331816935 LJBDLHKDJLRALL-VXGBXAGGSA-N 367.902 2.924 0 50 FFAA Cc1nc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)cc(N2CCOCC2)n1 72423575 HWMSWOLHSNSVHR-QGZVFWFLSA-N 370.497 2.518 0 50 FFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccoc1C1(O)CCOCC1 373945497 IKUHOJJNJJLDPA-HNNXBMFYSA-N 363.454 2.889 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1nc2ccccc2n1C 284929704 PXBIIQSOWSSDMN-HNAYVOBHSA-N 352.486 2.826 0 50 FFAA CN(C)c1ccnc(NC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 376612741 NCZRNCJNLHEHHV-IKGGRYGDSA-N 367.453 2.579 0 50 FFAA CC(C)[C@@H](C)NC(=O)C1CCN(c2ncnc3c2ncn3C2CC2)CC1 241383196 MTGWAERGKKHWDY-CYBMUJFWSA-N 356.474 2.538 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC(=O)O)C1CCOCC1 237647551 VAXNDSLRWJYDSB-UHFFFAOYSA-N 372.421 2.675 0 50 FFAA COc1coc(CN2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)cc1=O 77357500 COIPNKBRPCMHEG-OAQYLSRUSA-N 374.481 2.796 0 50 FFAA Cc1c(C(=O)NCc2nnc(C3CCC3)n2C)c(O)nc2ccccc12 129453727 QCVRUMWMGJTGBG-UHFFFAOYSA-N 351.410 2.575 0 50 FFAA COc1cccc2c1C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)C3(C)C)C2 458092584 UVSZHQNJCULSOD-AWEZNQCLSA-N 350.418 2.822 0 50 FFAA COc1ccc(C)cc1-n1ccc(C(=O)N(C)c2cccnc2OC)n1 132911266 BMAAPRDVINGGMJ-UHFFFAOYSA-N 352.394 2.870 0 50 FFAA Cc1nc(N(C)C)nc(-c2cccc(C(=O)N3CCC[C@@H](N)CC3)c2)c1C 426683754 GVPAWMMAPHIVLN-GOSISDBHSA-N 367.497 2.780 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3OC)n1 426571497 MGDVGFSXCPXEKJ-BDQBCWGISA-N 371.437 2.561 0 50 FFAA CSc1ccccc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 82092424 LIWISPDMISEPBK-UHFFFAOYSA-N 373.526 2.782 0 50 FFAA C[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1cn2ncsc2n1 91644582 CQADSDCDIWYYJR-NSHDSACASA-N 365.422 2.815 0 50 FFAA O=C(NCc1ccc2nsnc2c1)N1CCC[C@H](c2ccncn2)C1 426502902 MKBJQXGISDWREA-ZDUSSCGKSA-N 354.439 2.571 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1 97179453 BLQWFHJXCMRUDC-LJQANCHMSA-N 365.477 2.676 0 50 FFAA COc1ccc([C@H]2CN(C(=O)Cc3ccc(SC)cc3)C[C@@H]2N)cc1 91624802 TVQGKGNXLXTAOW-MOPGFXCFSA-N 356.491 2.913 0 50 FFAA Nc1nccc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)n1 91845437 UXWMHRAKWPYCRQ-QPJJXVBHSA-N 363.465 2.591 0 50 FFAA C[C@H](NC(=O)c1cccc(OCCN)c1)c1cnn(-c2ccccc2F)c1 426528081 SXGPSAJGZXBESM-AWEZNQCLSA-N 368.412 2.840 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCCc1ccc3c(c1)OCO3)n2C 91665631 LTCYOLIVUNESSA-UHFFFAOYSA-N 352.390 2.888 0 50 FFAA CC(C)N1CC2(CCC1=O)CCN(C(=O)CCc1ccc(O)cc1)CC2 91305186 IMYRRJFHAMCTOA-UHFFFAOYSA-N 358.482 2.964 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 95502582 DPOFAGUHKWHFBU-KRWDZBQOSA-N 369.490 2.681 0 50 FFAA Nc1nccc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)n1 91933689 GNAITSVJTSJENX-UHFFFAOYSA-N 365.481 2.511 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 96137267 MAZZUKRIFPRDID-HNNXBMFYSA-N 368.359 2.815 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(Cc1nc3c(s1)CCCC3)CC2 91793518 JSYUNQWNANRQNN-UHFFFAOYSA-N 357.527 2.724 0 50 FFAA COc1ccc(CCNC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)cc1 95504262 MFMDNGXAYNSZHK-UHFFFAOYSA-N 368.437 2.931 0 50 FFAA CC(C)c1cc(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n(C)n1 97259270 XHRBHTREOHPCOM-UHFFFAOYSA-N 369.469 2.970 0 50 FFAA CC(=O)c1cccc(-c2ccc(NC(=O)N3CCOC[C@H](O)C3)cc2)c1 95530185 MJBABIBMMCMRNO-LJQANCHMSA-N 354.406 2.781 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@H](Cn2ccnc2)C1 95369105 SIKKNJHZARWKIA-MRXNPFEDSA-N 362.437 2.596 0 50 FFAA COCc1c(C(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)noc1C 91365017 QSPSRACGFKKMSJ-ZDUSSCGKSA-N 360.410 2.776 0 50 FFAA Cc1ccccc1-c1cccc(C(=O)NC2CCN(CC(=O)O)CC2)c1 244899986 ZTWPCGSDTMGYKX-UHFFFAOYSA-N 352.434 2.941 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 534637708 NWLKXJYWTNUCMT-LJQANCHMSA-N 370.497 2.816 0 50 FFAA Cc1ccc(-c2noc([C@H](C)NC(=O)N(C)Cc3nnc(C)o3)n2)cc1 534580800 UVCZIBJLQUTISO-NSHDSACASA-N 356.386 2.639 0 50 FFAA Cc1ccc(Cn2nc(C)c(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)c2C)cc1 102612771 RLDZRWVPMWVRFD-TVFCKZIOSA-N 365.433 2.523 0 50 FFAA Cc1nc2c(c(NC3CCCC3)n1)CCN(C(=O)[C@@H]1CCCCO1)CC2 72430850 YOOHCLXVLKMWQX-SFHVURJKSA-N 358.486 2.636 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1nccnc1C)CC2 299789666 ZSGBQQPRCRLKLM-IMFGXOCKSA-N 354.454 2.771 0 50 FFAA C[C@@H](C(=O)N1CCc2c(O)nc(O)nc2C1)c1cccc(C(F)(F)F)c1 1875307257 LTGCJFMMBCDQGB-SECBINFHSA-N 367.327 2.595 0 50 FFAA C[C@H]1Cc2cccc(S(=O)(=O)Nc3ccc(OC(F)F)cn3)c2O1 1875316745 DSOJAHVZWREJTJ-VIFPVBQESA-N 356.350 2.807 0 50 FFAA CC(C)n1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]4CCC[C@@H]43)[C@H](C)C2)cn1 1875361424 RZFOTBNDGMXHMC-MXSMSXNCSA-N 358.486 2.573 0 50 FFAA Cc1ccc([C@H](C)N[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)o1 1875398036 YJVRIPQGZVBVCJ-JKSUJKDBSA-N 371.485 2.626 0 50 FFAA COC(=O)[C@H]1CC[C@H](C(=O)NC[C@H](C(=O)O)c2ccc(Cl)cc2)CC1 1875334186 CMHSONNGOMASQM-YDHLFZDLSA-N 367.829 2.604 0 50 FFAA CN[C@@H](Cc1ccc(F)cc1F)c1cn(-c2ccc3[nH]ncc3c2)nn1 1875349830 OPDQDRWJVGPUBJ-KRWDZBQOSA-N 354.364 2.925 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1Cc1ccc(C(N)=O)cc1 1875398687 BIFYZQYVTDBVOZ-SJORKVTESA-N 369.469 2.637 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)/C=C/c2cnc(N)nc2)cc1 952977351 MPUHUXIPVCPKGZ-UFUQCMIWSA-N 365.481 2.887 0 50 FFAA CCOc1cc(C(F)(F)F)cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)n1 886091355 OKZISOVLZJENDI-YVECIDJPSA-N 369.343 2.916 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(Oc2ccccc2)cn1 886998259 ADEFVKRSBMDJCW-QZTJIDSGSA-N 354.406 2.534 0 50 FFAA COc1cc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)ccc1Cl 888097422 ISDFOHVYTFBFOX-RWQQGDIJSA-N 352.906 2.918 0 50 FFAA CCn1c([C@@H]2CCc3c[nH]nc3C2)nnc1N1CCC[C@@H](OC2CCC2)C1 1352725238 LZDPBNLUSBITDW-RHSMWYFYSA-N 370.501 2.832 0 50 FFAA CC(=O)N1CC[C@H](Nc2nc(-c3ccccc3)nc3ccccc23)[C@@H](O)C1 1565507197 JIALVYLLOOPGLL-OALUTQOASA-N 362.433 2.690 0 50 FFAA Cn1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c2ccccc21 1565516136 WEPOPPVITGSEBQ-WMZOPIPTSA-N 351.406 2.540 0 50 FFAA O=C(O)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cc1 274291150 KHNIJHRYRMZQEZ-ZDUSSCGKSA-N 371.414 2.583 0 50 FFAA Cc1c(NC(=O)Cn2c(=O)n(C)c3ccccc32)cnn1C1CCCC1 278702315 WABYTDHHELQGHP-UHFFFAOYSA-N 353.426 2.599 0 50 FFAA Cc1ccc([C@@H](CNC(=O)N2CCc3ccc(F)cc32)N2CCOCC2)o1 195130997 ACIDBCNAEDKSLY-GOSISDBHSA-N 373.428 2.873 0 50 FFAA Cn1nnc2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cnc21 755237990 AKEYRBBADDXPDT-UHFFFAOYSA-N 350.426 2.996 0 50 FFAA NS(=O)(=O)c1cc(C(=O)OC/C=C/c2ccc(Cl)cc2)cs1 787612506 PMWCHITXBADSJC-OWOJBTEDSA-N 357.840 2.919 0 50 FFAA Cc1ccn2c(NC(=O)[C@H](c3ccc(F)cc3)N3CCCCC3)nnc2n1 1529118659 NSPPEMHZJYNGQZ-INIZCTEOSA-N 368.416 2.738 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2CCOCC2)C3)s1 216676354 HTVZIUKPWPUGBF-ZBFHGGJFSA-N 362.495 2.666 0 50 FFAA CO[C@H]1CN(CC(=O)Nc2ccc(F)cc2C)C[C@H]1Cc1cc(C)no1 1704336663 IPXJKOBNLSZKLM-KDOFPFPSSA-N 361.417 2.559 0 50 FFAA Cc1cc(C)c(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(-n2cccn2)c1 1704354913 MFIIBWAZFVDSOJ-DYESRHJHSA-N 365.481 2.556 0 50 FFAA COc1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 884740 MUMJQUMXEUZWNO-TUPIDYKKSA-N 355.390 2.673 0 50 FFAA CC(C)CC(=O)N1C[C@H]2CN(CC(=O)O)C[C@@]2(CCc2ccccc2)C1 1772707731 VOCGJYFXQZAKPK-NQIIRXRSSA-N 358.482 2.510 0 50 FFAA CSCC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 14969396 IHLQHTCKQBUFHR-HXUWFJFHSA-N 360.523 2.823 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2F)cc1 16650069 ANJZHHVCYMPOGF-UHFFFAOYSA-N 350.415 2.647 0 50 FFAA Cc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c(Cl)c1 169772614 VGJWDZKAZQOMOL-OAHLLOKOSA-N 357.797 2.728 0 50 FFAA O=C(CCCOc1ccccc1)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 220552373 OLOBXJDPQGOYEL-IMFGXOCKSA-N 354.450 2.739 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)[C@H](O)c1ccccc1)CC2 1857672496 FJXSLKFMZBPRQA-OAQYLSRUSA-N 361.445 2.748 0 50 FFAA CC[C@@]1(C(=O)NCc2ccncc2)C[C@@H]2CC[C@H]1N2C(=O)c1ccco1 1857700842 MSLGPCPDWXLXFQ-XAUMDUMWSA-N 353.422 2.764 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)no1 1875250677 WIQFDBBLDKUOOR-HLLBOEOZSA-N 361.829 2.581 0 50 FFAA CS(=O)(=O)c1ccccc1N[C@@H]1CCN(C(=O)C2CCCCC2)C1 301662229 MZTQAKZVXNXTGX-OAHLLOKOSA-N 350.484 2.683 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1 331063902 WIEFSEIFSMATBR-GOEBONIOSA-N 353.484 2.610 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 237642577 KGLRZKDKZLXMLY-QGZVFWFLSA-N 351.830 2.711 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)CC2=CCCOC2)(c2ccccc2)CC1 855741534 WIGNODGVMFCGTJ-UHFFFAOYSA-N 368.477 2.538 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@@H](N)C(C)(C)SC)s1 2100541116 WPJVNXJNYJOXIU-CQSZACIVSA-N 365.524 2.904 0 50 FFAA Cn1nnc2c1[C@H](C(=O)Nc1cc(C(F)(F)F)c3cn[nH]c3c1)CCC2 2325774282 BLIFOLMHBXTHAS-SECBINFHSA-N 364.331 2.769 0 50 FFAA O=C(Nc1cccc(Cl)c1N1CCOCC1)N1CC(c2cc[nH]n2)C1 2325777638 PUZPNCNXHWRYAE-UHFFFAOYSA-N 361.833 2.531 0 50 FFAA C[C@H](Cc1ccccc1)C(=O)NCCc1ccc(N2CCNCC2)cc1 2325795795 ZKGKHAXEICNTGL-GOSISDBHSA-N 351.494 2.634 0 50 FFAA O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc([C@H]2CCCN2)[nH]n1 2325801293 AULQQORFOJJGTJ-BXUZGUMPSA-N 354.332 2.682 0 50 FFAA CN1CCO[C@H](CN(C)Cc2nc3cccc(F)c3n2-c2ccccc2)C1 2325858804 BCTMMIGUDRGUAS-KRWDZBQOSA-N 368.456 2.927 0 50 FFAA C[C@@H]1CCO[C@H]1CC(=O)N(CCNC(=O)C1CC2(CCC2)C1)CC1CC1 2325866652 UDUOVNRUUNRHPI-QAPCUYQASA-N 362.514 2.737 0 50 FFAA C[C@H](CN=c1cc(Br)nc[nH]1)N1CCc2sccc2C1 2325866889 CZGFNGNTTLUAOU-SNVBAGLBSA-N 353.289 2.581 0 50 FFAA CCCC1(C(=O)NC[C@@]2(C)CN(C(=O)c3ccc(C)c(N)c3)CCO2)CC1 2325878972 CUOQPURNWXSZIN-FQEVSTJZSA-N 373.497 2.505 0 50 FFAA COc1ccc(COC(=O)Cn2c(=O)sc3ccccc32)cc1OC 625635 KOCJTVJWYPJABG-UHFFFAOYSA-N 359.403 2.824 0 50 FFAA Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1 999653 HTHOSORJNHENAC-UHFFFAOYSA-N 366.446 2.854 0 50 FFAA N=c1cc(N2CC(c3ccncc3)C2)c(-c2ccc3c(c2)OCCO3)c[nH]1 2356151364 FSUSPBJTNAVFCL-UHFFFAOYSA-N 360.417 2.931 0 50 FFAA COc1cc(CNCc2ccncc2)ccc1OCC(=O)NC(C)(C)C 4413599 YUFMTEIBLJGAEJ-UHFFFAOYSA-N 357.454 2.674 0 50 FFAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1 6701577 JSMOKXSOYRXXHD-UHFFFAOYSA-N 367.449 2.725 0 50 FFAA CCOC(Cc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1)OCC 225405416 SKKXMECUSHZZPJ-UHFFFAOYSA-N 355.435 2.915 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CC[C@@H](Cc2cccc(CO)c2)C1 101872614 HJGCPARYOLDKTO-INIZCTEOSA-N 371.506 2.610 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CN(C)Cc3nc(C)cs3)C2=O)c1 55060633 VURZMWNQPZPPPM-FQEVSTJZSA-N 373.522 2.745 0 50 FFAA COc1cc2cc(CN3CCC[C@H]3c3nc(C)no3)c(=O)[nH]c2cc1OC 67741182 DMWMGEBOBHXIOQ-HNNXBMFYSA-N 370.409 2.574 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NN1CCCc3ccccc31)CC(=O)N2 20599454 PSPNVFCSVPCFIA-INIZCTEOSA-N 351.406 2.605 0 50 FFAA C[C@H]1C(=O)N(Cc2ncnn2-c2ccccc2)C(=O)N1Cc1ccccc1 348624974 LKYONHNHANZLHW-HNNXBMFYSA-N 361.405 2.620 0 50 FFAA CCC(CC)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 72446864 LLFLSBYTYSTFOW-UHFFFAOYSA-N 370.490 2.672 0 50 FFAA Cc1ccc([C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C(C)C)c(C)c1 65364005 OSEMNYMMMSHQBI-SFHVURJKSA-N 366.527 2.788 0 50 FFAA CNC(=O)c1ccc(Cn2ccnc2-c2sc(N(C)C)nc2Cl)o1 77504401 YPCWZIMOBDAAMR-UHFFFAOYSA-N 365.846 2.727 0 50 FFAA CN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 252467318 CGIVYEHECPJJMJ-GDBMZVCRSA-N 350.894 2.560 0 50 FFAA COCC(C)(C)C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 67919605 YYGRPOWLMSIIIY-UHFFFAOYSA-N 364.490 2.704 0 50 FFAA CC(C)NC(=O)Nc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1 252506010 VWDYRWGNXBPYMQ-UHFFFAOYSA-N 358.486 2.822 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)[C@@H](C)n3nc(C)cc3C)nc2c1 219448068 UINFOBATJOKLDC-CQSZACIVSA-N 355.442 2.647 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1 72433101 MYWXNCGDQNVTGX-UHFFFAOYSA-N 367.493 2.743 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)cc1 67604505 CBXYPSSZPWXZFB-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cccc(CNC(=O)c2cc(CN(C)Cc3ccccc3)on2)n1 12319349 MMALQRJYUOKGTE-UHFFFAOYSA-N 350.422 2.940 0 50 FFAA CC(C)N1CCO[C@H](c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)C1 253432004 VJBZMGIPPWTZTQ-KBPBESRZSA-N 368.478 2.649 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCC(c2cc(=O)nc[nH]2)CC1)c1ccccc1F 215062605 WWAWSPVTXCBTPY-OAQYLSRUSA-N 369.440 2.983 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H]1Cc2ccccc2S1 216489115 ZEJXGLWLLNIAHY-SFHVURJKSA-N 359.495 2.729 0 50 FFAA CC(C)(CN1CCC(N2CCc3ccccc3C2)CC1)N1CCOCC1 72162648 GQISARMOLRFZQJ-UHFFFAOYSA-N 357.542 2.620 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O 282957849 YFVITJNKPMMCBB-PXNSSMCTSA-N 355.482 2.838 0 50 FFAA Cc1ccc(CS(=O)(=O)NC[C@H]2CC(=O)Nc3ccccc32)cc1C 377380685 DPXUBRRXCQTBPA-MRXNPFEDSA-N 358.463 2.849 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cc(=O)n(C)c3ccccc23)s1 215194729 FDARHDMBULJZQV-UHFFFAOYSA-N 374.491 2.611 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 36385748 WWXBMDXAXIVZHY-MRXNPFEDSA-N 354.926 2.583 0 50 FFAA C[C@H]1NCCC[C@H]1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 262851754 ZSXRXBUJDYZBBH-DNVCBOLYSA-N 364.449 2.784 0 50 FFAA COC[C@H](O)CN(C)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 72411181 RBNGNJIPYAWFQH-OAHLLOKOSA-N 374.828 2.896 0 50 FFAA O=C(CCc1cc(Cl)no1)N1CCN(c2ncnc3ccccc23)CC1 72433354 GQYCGXRDEYYESD-UHFFFAOYSA-N 371.828 2.553 0 50 FFAA CN(C(=O)C1CCS(=O)(=O)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 377112337 OWRUFKGLMOYISX-DLBZAZTESA-N 365.495 2.516 0 50 FFAA Cc1ccc2c(c1)nc(CNC(=O)N[C@@H]1COc3c(C)cccc3C1)n2C 460769331 PYWMVLFWNALWNA-INIZCTEOSA-N 364.449 2.993 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NCc2n[nH]c3c2CCCCC3)no1 426599488 DPEAQBJRSXYBJS-UHFFFAOYSA-N 360.462 2.602 0 50 FFAA CCN(C)C[C@H]1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2C)C1 178044575 JVNRUIZTMISWMU-OAHLLOKOSA-N 360.458 2.757 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 426396366 FXUIHANJRFAWOF-QGZVFWFLSA-N 364.453 2.993 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223015059 KPYKRDNTEMKOTC-IAGOWNOFSA-N 360.479 2.875 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)c3onc4c3CCCC4)cc2C1 426378220 QOAFLODIZTZWRE-UHFFFAOYSA-N 371.485 2.542 0 50 FFAA Cc1nn(C)c2nc(N3CCN(C4Cc5ccccc5C4)CC3)sc12 96165977 PIDVDRQAPXROHQ-UHFFFAOYSA-N 353.495 2.628 0 50 FFAA Cc1nc2ccc(C(=O)NC[C@@H]3CC(=O)N(C4CCCC4)C3)cc2nc1C 91621315 LMHBVVXFKDWEOX-HNNXBMFYSA-N 366.465 2.768 0 50 FFAA CN(C)[C@@H]1CCN(Cc2nc(C3CC3)nn2-c2cccc3c2CCC3)C1 96147830 MJJDYYWPXQXVMI-QGZVFWFLSA-N 351.498 2.769 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)CCn1c(C)nc3ccccc31)CC2 95370771 QLQRHJIIQHJHMW-IBGZPJMESA-N 371.481 2.921 0 50 FFAA CN1CCN(C(=O)c2cccc(-c3ccc(Cn4ccnc4)cc3)c2)CC1 426471296 CHAZIQRVPLLICI-UHFFFAOYSA-N 360.461 2.986 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1coc(CN2CCOCC2)c1 95366667 DQRQNQRADCEVRZ-QGZVFWFLSA-N 359.426 2.694 0 50 FFAA Cc1cc(C)c2nccc(N3CCC[C@H](c4nccn4CC(N)=O)C3)c2c1 95517319 VBKHYBKZJJYCAR-INIZCTEOSA-N 363.465 2.917 0 50 FFAA CCOc1ccc(CCNC[C@@H](O)COc2cccc(C)c2)cc1OC 96027670 RANSWRUYQJQNQX-GOSISDBHSA-N 359.466 2.974 0 50 FFAA CC(C)=CCCN1C[C@H](C2CC2)[C@@H](NC(=O)c2c(Cl)cnn2C)C1 91574815 BGCQKYQGJOCYJM-ZBFHGGJFSA-N 350.894 2.870 0 50 FFAA Cc1cccc(C)c1-n1nnnc1CN[C@@H](C)c1ccc2c(c1)OCO2 182304362 OKOACSXFAZDAJA-AWEZNQCLSA-N 351.410 2.859 0 50 FFAA CN(C)[C@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(F)cc1 95392382 IEFRMYJKZZHVMM-GOSISDBHSA-N 365.412 2.710 0 50 FFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H](C)O)CC1 95510409 TXKKGGMXGYFWKR-QGZVFWFLSA-N 362.514 2.773 0 50 FFAA C[C@H]1CCCN(S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)[C@H]1C 245226378 UNIPWKATAROMKT-UWVGGRQHSA-N 358.847 2.594 0 50 FFAA O=C(NCCc1cccs1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263617524 OFOFVCMFYZBIRX-INIZCTEOSA-N 372.425 2.723 0 50 FFAA C[C@H](CNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1)N1CCCC1 534581164 IZIRJOPDQAZXFC-MRXNPFEDSA-N 365.477 2.596 0 50 FFAA O=C(NCCc1ccccc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263616525 JFRNUUUWWZFZQG-SFHVURJKSA-N 366.396 2.661 0 50 FFAA F[C@@H](OC(F)(F)F)C(F)(F)n1cc(I)cn1 1775956533 LGIFDWPHDHRFKP-BYPYZUCNSA-N 359.995 2.869 0 50 FFAA COc1ccc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c(OC)n1 299799237 DXBYOJMTEIOEEJ-KRWDZBQOSA-N 373.428 2.805 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299775835 KWWJWENZZPNVQH-IRXDYDNUSA-N 360.845 2.627 0 50 FFAA O=C1Cc2cc(NC(=O)NCc3csc(N4CCCC4)n3)ccc2N1 299783451 USBBLIAXYSBTRE-UHFFFAOYSA-N 357.439 2.560 0 50 FFAA CCc1nc(CCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)no1 584890449 DSGQDGQPLWQGQW-ZDUSSCGKSA-N 369.425 2.905 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@H](c1cccnc1)N1CCCC1 670444189 RVTCSPPYAWAKDC-NRFANRHFSA-N 364.493 2.788 0 50 FFAA CN(Cc1nc(C2(c3cccc(Cl)c3)CCC2)no1)S(C)(=O)=O 867176922 JYLHPLKIHVXTRO-UHFFFAOYSA-N 355.847 2.584 0 50 FFAA Clc1cnc(I)c(I)c1 66054337 KHLVOIBFCQEXOO-UHFFFAOYSA-N 365.339 2.944 0 50 FFAA in-vitro CNC(=O)C[C@H](NC(=O)N1CCC[C@@H]([C@@H]2CC2(F)F)C1)c1ccccc1 1875315959 OXLBYKLFNLFOAB-PMPSAXMXSA-N 365.424 2.941 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)C1 1875379218 PQIRSXSFOBSDGP-CABCVRRESA-N 361.511 2.754 0 50 FFAA Cc1cc(=N[C@H](C)CC2(O)CCOCC2)[nH]c(N(C)c2ccccc2)n1 1875360472 ASUUJVBPIPHFKH-MRXNPFEDSA-N 356.470 2.707 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N3CC[C@H](CO)[C@H](c4ccccc4)C3)c2C1 1875308685 RUELCFHRBINUDE-KYJSFNMBSA-N 353.466 2.773 0 50 FFAA C=CC(=O)N[C@H](C)[C@@H]1CN(C(=O)CCc2ccc(C(C)C)cc2)CCO1 1875386237 LMWKCKOUULDWLP-APWZRJJASA-N 358.482 2.661 0 50 FFAA CC1(C)C[C@@H](CNC(=O)C[C@@H]2CC[C@H](C3CC3)O2)N(c2ncccn2)C1 1875406065 WAZANUYZCZDAHD-YESZJQIVSA-N 358.486 2.545 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cc2n(c1)CCCC2 1875401573 LMCITONRFTYZDZ-DLBZAZTESA-N 369.469 2.755 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402372 DTPYTUVOZOMADF-NIKGAXFTSA-N 364.449 2.563 0 50 FFAA CCCC1(C(=O)N[C@@H]2CN(C(=O)Cc3cnco3)[C@@H]3CCCC[C@H]23)CC1 1875407673 FTFXLGYZMZOINR-BRWVUGGUSA-N 359.470 2.683 0 50 FFAA CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@@H](O)[C@]12CCSC2 1875267294 CXYDLKMNQQWHID-DNVCBOLYSA-N 374.462 2.516 0 50 FFAA Cc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2C)o1 952973944 ZBOZRWVDJBLRPT-UHFFFAOYSA-N 355.847 2.969 0 50 FFAA O=C(Nc1ccc(F)cc1F)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1 1565514755 KZISUFQQFHJLCI-IEAZIUSSSA-N 351.397 2.728 0 50 FFAA C[C@@H](c1nccs1)N1CCN(C(=O)c2cnc3ccccc3n2)CC1 185766780 AFYSRUOWPANIFY-ZDUSSCGKSA-N 353.451 2.605 0 50 FFAA CCc1noc(CC)c1CNC(=O)c1[nH]cnc1C(=O)c1ccccc1 170600716 HXFRHYBLDPXKNP-UHFFFAOYSA-N 352.394 2.684 0 50 FFAA Cc1cnc(N2CCN(C(=O)Cc3cnc4ccccc4c3)CC2)s1 170600700 GWTMBKLZJCPPTN-UHFFFAOYSA-N 352.463 2.891 0 50 FFAA O=C(Cc1ccncc1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279837076 FGZHLUSEHQGIKQ-CZUORRHYSA-N 350.340 2.977 0 50 FFAA CN(CC1(O)CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189746551 BAVMEAKVJUIYMD-QGZVFWFLSA-N 352.425 2.693 0 50 FFAA COc1cc(C2(C(=O)NC3CCN(c4ncccn4)CC3)CC2)ccc1C 194630759 HVVHFIFCCXGRSM-UHFFFAOYSA-N 366.465 2.610 0 50 FFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCC(c2cn[nH]c2)CC1 796548083 XXSXWXOGLGXIAA-HNNXBMFYSA-N 353.344 2.868 0 50 FFAA NCCN1C(=O)CC[C@@H]2CN(Cc3ccccc3-c3ccco3)CC[C@@H]21 216867977 OMQHWDVTYNAGOU-MJGOQNOKSA-N 353.466 2.718 0 50 FFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCO)Cc2[nH]cnc2C)c1 1704325267 GYKJKGDNSIKOBD-INIZCTEOSA-N 359.470 2.938 0 50 FFAA COc1cccc(F)c1CN1CCCN(C(=O)c2cc(C)nc(C)n2)CC1 1772815010 BYCRZMCRRKAIGK-UHFFFAOYSA-N 372.444 2.589 0 50 FFAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C(=O)CCN2CCCCO2)C1 11840879 QMICEHIUQSOIHD-AWEZNQCLSA-N 366.408 2.804 0 50 FFAA COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCC(C)=O)cc1 12744563 WOVAVMCFUVAWSG-UHFFFAOYSA-N 360.498 2.777 0 50 FFAA CCn1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1ccncc1 18024392 UKYCBCQNLYMUPT-OKILXGFUSA-N 359.499 2.957 0 50 FFAA COc1cnc(C)cc1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 1857675684 GYLYQDUHAWUGCD-SFHVURJKSA-N 354.454 2.751 0 50 FFAA CCC[C@]1(CO)CCN(Cc2cnc(-c3ccccc3C)nc2)C[C@@H]1O 1875243941 FGLPLAXUIBWBLQ-PZJWPPBQSA-N 355.482 2.797 0 50 FFAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(Cc3sc(C)nc3C)C[C@@H]21 248246555 MKIUKGZYBRRCGT-LIRRHRJNSA-N 374.462 2.831 0 50 FFAA CCCN(C(=O)N[C@@H](C)CS(C)(=O)=O)[C@@H](C)c1ccccc1OC 265021311 MDRPNKNSYRAIPB-KBPBESRZSA-N 356.488 2.611 0 50 FFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2nc(Cl)nn2c1 2325785210 KGEVDZFIGAUFDQ-HNNXBMFYSA-N 357.845 2.758 0 50 FFAA C[C@@H](CNC(=O)Cc1c[nH]c2c(Br)cccc12)CC(=O)O 2325792336 VOFHYEHFYHAVDY-SECBINFHSA-N 353.216 2.700 0 50 FFAA Brc1cc2c(N3CCN[C@H](c4ccccc4)C3)ncnn2c1 2325802525 MFJHLRSVUZJKLO-AWEZNQCLSA-N 358.243 2.643 0 50 FFAA CCc1ccc(OCCNc2nc(C)c(Br)c(=O)[nH]2)cc1 2840838 NRGDKQPUGAXIDE-UHFFFAOYSA-N 352.232 2.894 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(I)cc1 4610424 CNBCFMDYNFYBIT-VXGBXAGGSA-N 371.174 2.897 0 50 FFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1Br 4842884 RIXFUGJEFYSYJR-UHFFFAOYSA-N 361.195 2.813 0 50 FFAA O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680616 VSLFCFYARIKVEM-UHFFFAOYSA-N 356.513 2.985 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)no1 6680881 IEEPOXJFKOITQN-SNVBAGLBSA-N 369.468 2.717 0 50 FFAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1coc(CN2CCOCC2)c1 55099784 ULSJQKURRCIGGG-MRXNPFEDSA-N 357.454 2.948 0 50 FFAA CC/C=C/C[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 43772415 SAKGBZWJAIABSY-WXGKOVPHSA-N 352.471 2.819 0 50 FFAA in-vitro CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cccc(-c2noc(C)n2)c1 55344660 KFDIWZFOMHWWGP-GOSISDBHSA-N 366.421 2.853 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3c(C)cccc3CO)cnn2c1 67757133 DXYJDYUHFRIPCF-UHFFFAOYSA-N 367.453 2.624 0 50 FFAA Cc1cccc(-c2ncc(CN(CCN(C)C)C[C@H]3CCCO3)cn2)c1 55414426 GWRSTZBTGVVIKE-HXUWFJFHSA-N 354.498 2.995 0 50 FFAA CN(CCCO)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 67673232 NCJJGQVDIJIPOW-UHFFFAOYSA-N 358.316 2.727 0 50 FFAA C[C@@H]1CCCCN1C1CN(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 65373719 AOMKNGHCNBVKRX-MRXNPFEDSA-N 367.497 2.731 0 50 FFAA Cn1ccnc(N2CCC[C@H](N[C@H]3CCC[C@@H]3c3ccc(F)cc3)C2)c1=O 328633751 MGNGRGVNTUIXEJ-OTWHNJEPSA-N 370.472 2.814 0 50 FFAA CCc1nccn1CCC(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67895010 OEQQPTVJWZERQZ-UHFFFAOYSA-N 367.428 2.762 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cccc(CO)c2)CC1 72473833 WJKYOYRNQZCLOE-UHFFFAOYSA-N 352.478 2.958 0 50 FFAA O=C(NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)N1CC[C@](O)(C(F)(F)F)C1 151854909 FXELUNISUHJDRF-KLZNWCGWSA-N 354.372 2.671 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@H](C)CCn3cccn3)c12 72467792 BHGCKVPXNCFANQ-CYBMUJFWSA-N 362.441 2.821 0 50 FFAA C[C@H]1C(=O)NCCN1Cc1cccc(OCCCCN2CCCCC2)c1 215459301 RMBOIABVOYQXMG-SFHVURJKSA-N 359.514 2.652 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@@H](n4ccnn4)C3)cc12 333352085 BHPXGXVDVACHAE-GFCCVEGCSA-N 358.471 2.827 0 50 FFAA O=C1NCCN1[C@@H]1CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 363925818 IDLPKGYVKIMWMA-QGZVFWFLSA-N 359.445 2.555 0 50 FFAA Cc1nnsc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72134721 PURKFBKPGMOJRL-GVDBMIGSSA-N 372.469 2.688 0 50 FFAA O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCc2ccccc2CC1 367400993 XHPQHFADGIIHND-SFHVURJKSA-N 355.459 2.575 0 50 FFAA COCCc1cc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n(C)n1 378175579 KTBRTCVKDOOLIL-QGZVFWFLSA-N 360.433 2.987 0 50 FFAA COCCn1ccnc1CN1CCCN(c2nc3ccccc3s2)CC1 215419018 TXWBBOCKAVGZTM-UHFFFAOYSA-N 371.510 2.852 0 50 FFAA Cc1cc(CNC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)n(C)n1 215741301 KFLPUZQLDYOMDM-UHFFFAOYSA-N 350.422 2.592 0 50 FFAA O=C(COc1ccc(OCc2ccccc2)cc1)N1[C@H]2CCNC[C@H]1CC2 262186372 FGNYMLQLGLKBBW-RTBURBONSA-N 366.461 2.997 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 72470657 CNZJDYYSZNIPMX-UHFFFAOYSA-N 368.824 2.981 0 50 FFAA CSCCC(=O)N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1 72165723 YYZFQYXEGJPIGO-GJZGRUSLSA-N 357.483 2.741 0 50 FFAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 215014548 IOKAHHFLASNPQL-AWEZNQCLSA-N 370.474 2.842 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)Cc3c(C)noc3C)C2)CCC1=O 77407535 FCYQYCLHIAFEEU-FQEVSTJZSA-N 361.486 2.865 0 50 FFAA COc1ccc(C)c2c1N(S(=O)(=O)c1cn3c(n1)CCCC3)CCC2 378603819 ANWQEGFVFMAKQH-UHFFFAOYSA-N 361.467 2.678 0 50 FFAA Cc1cc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)C3)CC2)ccn1 220537801 XCVNFJIBTSQOAP-FQEVSTJZSA-N 364.493 2.528 0 50 FFAA CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2ncnc3sccc23)CC1 292662230 CMOBNKASZISEJF-UHFFFAOYSA-N 370.482 2.674 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)o1 223381178 KEXKXUINGJUARE-AWEZNQCLSA-N 351.406 2.919 0 50 FFAA c1cc(N2CCC(N3CCc4ccccc4C3)CC2)cc(-n2cnnn2)c1 199308497 FFCGIBQHNQLIOV-UHFFFAOYSA-N 360.465 2.689 0 50 FFAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCC1CCN(Cc3ccccc3)CC1)C2 426382585 BGMPWPHGYQBXNP-AERCQKQUSA-N 370.541 2.667 0 50 FFAA CCc1nnc(CN(C)C(=O)c2cccc(-c3c(C)cc(N)nc3C)c2)o1 426594869 NAJMPXHLENJHRW-UHFFFAOYSA-N 365.437 3.165 0 50 FFAA Cc1sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)nc1-c1ccccc1 222484913 CDQHBOGABLAQTQ-MQYQWHSLSA-N 356.403 2.711 0 50 FFAA CCN1C(=O)COc2ccc(NC(=O)NCCCc3ccccn3)cc21 426551025 DUSDFCTXICXHBS-UHFFFAOYSA-N 354.410 2.581 0 50 FFAA COc1cc(OC)c(C(=O)N(C)Cc2ccc3c(c2)CN(C)C3)cc1OC 222340002 RWXUKOXKKDZVRW-UHFFFAOYSA-N 370.449 2.930 0 50 FFAA Nc1ncc(-c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2)cn1 426387600 DZQMBBDRGQNBGR-UHFFFAOYSA-N 352.438 2.759 0 50 FFAA CC[C@@H]1CCN(C(=O)c2cn(CCc3ccccc3)cc(C(=O)O)c2=O)C1 426511632 IQZKTIXEPKQPDN-OAHLLOKOSA-N 368.433 2.661 0 50 FFAA CCc1c(C)nn(CCNC(=O)Nc2cc(-n3cnnc3)ccc2F)c1C 95529820 NZXJBXBLVUSQRP-UHFFFAOYSA-N 371.420 2.604 0 50 FFAA O=C(Nc1cccc(N2CCOC2=O)c1)N1CCC(c2ccncn2)CC1 96179757 JMZVNLZHSPKLDL-UHFFFAOYSA-N 367.409 2.845 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 95360076 GFAYKHQZDBQDHD-AWEZNQCLSA-N 362.424 2.743 0 50 FFAA COc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)ncn1 91943584 KUNZNAUFQWNTDG-KRWDZBQOSA-N 366.465 2.718 0 50 FFAA CCCN(Cc1nccn1C)C(=O)Nc1cc(C(=O)NC)ccc1Cl 96139908 PRJCSFXEYQQQSK-UHFFFAOYSA-N 363.849 2.877 0 50 FFAA COc1ccc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)o1 91444472 QFVRPOBQIOLNDQ-UHFFFAOYSA-N 366.421 2.948 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3ncoc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95369970 NMUNKOQEWOCWCW-DFQSSKMNSA-N 351.450 2.994 0 50 FFAA COc1cccc(O[C@H](C)c2nc(CC(N)=O)nn2-c2ccccc2C)c1 96151298 VBDIFRFSPRQBEQ-CQSZACIVSA-N 366.421 2.752 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1ccc2c(c1)OCCO2 96179531 VWAMUDLYDSEMLY-OAHLLOKOSA-N 358.463 2.914 0 50 FFAA COc1cccc(OC)c1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 91665781 MSKSWBSXLYVIEO-GOEBONIOSA-N 372.465 2.567 0 50 FFAA Cc1ccccc1Cn1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 239030615 CDDMGOFJLGDXKI-DFEHZGFQSA-N 351.406 2.701 0 50 FFAA O=C(O)c1ccccc1-n1nc(-c2ccncc2)nc1C[C@@H]1CCCOC1 96135931 LTTOEGOCYMYPIZ-AWEZNQCLSA-N 364.405 2.997 0 50 FFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCc1nc(-c2ccc(F)cc2)cs1 91663814 MGLGPIMQECEXKR-INIZCTEOSA-N 359.430 2.605 0 50 FFAA COCCN(Cc1ccncc1)C(=O)Nc1cccc(C(=O)N(C)C)c1C 96139998 LMGWWGFPGUQHQM-UHFFFAOYSA-N 370.453 2.772 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H](Oc2cccc(F)c2)C1 181916821 YDOCJJYMQMMKFP-GOSISDBHSA-N 352.369 2.700 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2 95528717 PQMYKWWHZUWTIB-UHFFFAOYSA-N 351.450 2.978 0 50 FFAA COCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 243915020 BLQROJPNHXYRFR-UHFFFAOYSA-N 352.478 2.983 0 50 FFAA CN1CCC(N2CCC[C@H]2C(=O)N(C)Cc2cccc3cnccc23)CC1 244708358 KSHHEALIXPZRTE-NRFANRHFSA-N 366.509 2.752 0 50 FFAA COCCn1ccc2c(OCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)cccc21 263588931 ZZWYXYFCTKHNNF-ULQDDVLXSA-N 354.450 2.995 0 50 FFAA CC(C)n1cnnc1[C@@H](C)NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 299796548 OSNNZBOMHSOLMZ-CYBMUJFWSA-N 370.457 2.563 0 50 FFAA Cc1nnnn1CCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 299762335 VDDMUIDGSUDZKC-MRXNPFEDSA-N 355.442 2.715 0 50 FFAA CN(C(=O)CCCn1nnc(-c2ccc(F)cc2)n1)C1CCSCC1 299767429 KYRHGSUTYCAKNS-UHFFFAOYSA-N 363.462 2.613 0 50 FFAA Cc1occc1C(=O)Nc1ccccc1C(=O)NC[C@@]1(C)CCN(C)C1 670439053 IDJBHHFLDAVIQY-HXUWFJFHSA-N 355.438 2.912 0 50 FFAA C[C@H]1C[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C[C@@H](C)N1Cc1ccccc1 1875296474 YWXTZBVJIAEJJE-JFRXWTBNSA-N 357.498 2.603 0 50 FFAA COC(=O)c1cc2cc(NC(=O)N3CC[C@@H]4[C@@H](O)C(C)(C)[C@@H]43)ccc2[nH]1 1875315918 MSECMUMOLXTZHH-APHBMKBZSA-N 357.410 2.578 0 50 FFAA O=C(NC1([C@H](O)c2ccc(F)cc2)CCCC1)C(F)(F)C1(O)CCC1 1875338827 NIFWCOTZCGDWQT-CQSZACIVSA-N 357.372 2.838 0 50 FFAA Cc1noc(C)c1C(=O)NCC1CCN(c2cnc3ccccc3n2)CC1 952976431 WJMVCLBTJMXTRB-UHFFFAOYSA-N 365.437 2.881 0 50 FFAA CC(C)[C@@H]1C(=O)N(C)CCN1C(=O)CSCc1ccccc1Cl 952988523 MOIXKFNOAPROBQ-MRXNPFEDSA-N 354.903 2.898 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(c3ncnc4c3CCCCC4)C2)ccn1 886056831 KUTRVJLRNSSOME-SFHVURJKSA-N 367.497 2.860 0 50 FFAA FC(F)(F)c1cnc([C@H]2CCCN(Cc3cn4cccnc4n3)C2)[nH]1 277814214 PWEQVCQQTBJPOH-NSHDSACASA-N 350.348 2.851 0 50 FFAA CN(C)CCOc1ccccc1CNC(=O)N1CCc2sccc2C1 194677036 MVVPGIPYWLGUCZ-UHFFFAOYSA-N 359.495 2.956 0 50 FFAA COc1ccc([C@@H]2CCCCCN2C(=O)Cn2ncc(C)cc2=O)cc1 195430408 HWWAGRYFVDIVSA-SFHVURJKSA-N 355.438 2.704 0 50 FFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCC(c2cn[nH]c2)CC1 796548085 XXSXWXOGLGXIAA-OAHLLOKOSA-N 353.344 2.868 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]1Cc2ccccc2C(=O)N1 1506405624 BIHQPSAEQBWRBL-SFHVURJKSA-N 372.852 2.922 0 50 FFAA Cc1ccc(Cl)c(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)c1F 1704325419 MUBHGQLMMYLJHD-DLBZAZTESA-N 357.853 2.654 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCCN(C(=O)c3ncoc3C)CC2)c1 1704313847 KWVWNDSGBJIJAE-UHFFFAOYSA-N 355.438 2.517 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(=O)cc(C)o2)CC1 1704335506 NOKYNUZXKNBROH-UHFFFAOYSA-N 369.417 2.661 0 50 FFAA Cc1nc(S(=O)(=O)N(C)Cc2ccoc2)sc1Br 330632121 QLSLVIZLUHRQMX-UHFFFAOYSA-N 351.247 2.628 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cncc(O)c3)CC1)OCC2 1704325827 SXJDGNVYIVKYKR-UHFFFAOYSA-N 354.406 2.500 0 50 FFAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C1(N2CCCCC2)CCCCC1 1616075468 VHONVHMKJHWUJQ-PMACEKPBSA-N 371.525 2.944 0 50 FFAA CN1C(=O)/C(=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 1211021 OTXFIFFBWUKPDE-PFONDFGASA-N 352.371 2.980 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1CCCN(CCn2ccnc2)CC1 1772702300 RDHCVLPHTDJHPE-UHFFFAOYSA-N 366.387 2.750 0 50 FFAA CN(C)c1cccc(C(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)c1 11790746 PBINKWXRMDRIHY-LJQANCHMSA-N 374.444 2.943 0 50 FFAA Cc1ccc(CN(C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)o1 11933428 JFKWVFXWTRLYGG-HXUWFJFHSA-N 360.429 2.713 0 50 FFAA CN1CCC[C@@H](C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)C1 12053960 APYWBJYQVZJFOO-PBHICJAKSA-N 369.440 2.649 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccsc3)CCC2=O)cc1 12331008 UMSPTTOITBBRCN-UHFFFAOYSA-N 358.463 2.769 0 50 FFAA Cn1c(O)nnc1CCn1ccnc1-c1ccc2cc(Cl)ccc2n1 1857686361 SDHQKQAILRYXRX-UHFFFAOYSA-N 354.801 2.829 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@@H]1c1ccc(C)cc1 221943098 WSJYTLZTHQEUED-MJGOQNOKSA-N 362.433 2.616 0 50 FFAA C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@]2(CCOC2)O1 225441931 XNQOHPHQHQFWKZ-ZBEGNZNMSA-N 372.234 2.537 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3nc(C)[nH]c3c1)C2 225401474 RRPVCCAXIHGXMU-SJORKVTESA-N 366.465 2.901 0 50 FFAA CN(C)C(=O)c1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)[nH]1 237076833 DLCDOXKAJUQIBH-IBGZPJMESA-N 355.438 2.729 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CCO1 238197139 FTHODCZSPUCXTO-JLLWLGSASA-N 358.221 2.799 0 50 FFAA CC1(C)CC(C(=O)N2CCOC[C@H]2c2ncnn2Cc2ccccc2)C1 367520067 UCQGHPJFASEYJN-KRWDZBQOSA-N 354.454 2.663 0 50 FFAA COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)ccc1O 1026632 JLQOHHXGCYAWPT-QGZVFWFLSA-N 369.446 2.832 0 50 FFAA O=C(O)c1cnn(C[C@H]2C[C@@H](O)[C@H](NCc3ccc4ccccc4c3)C2)c1 2325785975 WOPTTZBHAIEURP-CDHQVMDDSA-N 365.433 2.664 0 50 FFAA Cc1ccc(Nc2nc(CN3CCc4c(O)nc(O)nc4C3)cs2)cc1 2325790817 NINOAXVDHSPXAL-UHFFFAOYSA-N 369.450 2.955 0 50 FFAA Cn1cncc1CCCOC(=O)C[C@H]1C=C[C@@H](NC(=O)OC(C)(C)C)C1 2325797776 TWKUSCFAWXNDRI-LSDHHAIUSA-N 363.458 2.755 0 50 FFAA CC12CCC(CS(=O)(=O)N[C@@H]3CCCc4cnccc43)(CC1)OC2 2325803996 OAJSSHFMUDBODQ-WWDZGPRUSA-N 350.484 2.728 0 50 FFAA Cn1ncc(CN)c1CN1CCC(c2nccc(-c3ccccc3)n2)CC1 2325813213 YHLVCBDDSGJLQS-UHFFFAOYSA-N 362.481 2.715 0 50 FFAA Cc1cn(-c2ccccc2F)nc1C(=O)NC[C@@H]1Cc2ccccc2CN1 2325856487 RIYMQQNBPUVLNX-KRWDZBQOSA-N 364.424 2.764 0 50 FFAA O=C(O)[C@@]1(C(=O)NCc2nc3c(s2)CCCC3)C[C@@H]1c1ccccc1 907564281 CBNVDYKYDHXDAX-YJYMSZOUSA-N 356.447 2.897 0 50 FFAA COc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 622468 ITSHBWLXVXMGHU-NSHDSACASA-N 374.462 2.998 0 50 FFAA CC(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 797062 NOQHQKOEDOISNZ-UHFFFAOYSA-N 358.891 2.513 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 800946 AAFWBBJBFBIFPB-UHFFFAOYSA-N 354.391 2.530 0 50 FFAA COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 885125 DIPREGAPCFFUGL-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 917333 KXUMMMIRFQDRJX-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1ccc2nc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)sc2c1 1064074 DSXWBBOKVNLBRT-UHFFFAOYSA-N 354.343 2.804 0 50 FFAA COc1ccc(CCNC(=S)Nc2ccc3c(c2)OCO3)cc1OC 2858334 LNXHNSYBYSHRHZ-UHFFFAOYSA-N 360.435 2.962 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1 2886431 SSWLFQGNSQQVDR-UHFFFAOYSA-N 372.918 2.941 0 50 FFAA CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 6719451 BJOJCTRWYRHXDB-UHFFFAOYSA-N 365.433 2.945 0 50 FFAA COc1ccc(CCNC(=O)c2cn(C)c(=O)c3ccccc23)cc1OC 6948145 OSOUAXDDGINVBF-UHFFFAOYSA-N 366.417 2.528 0 50 FFAA biogenic Cc1nc(C)n(C[C@H](C)C(=O)Nc2cc3c(C)cc(=O)oc3cc2C)n1 55042585 IFEPILPNZUJYLL-LBPRGKRZSA-N 354.410 2.893 0 50 FFAA CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)CC)CC1 55703956 UYKWTILJCIAXGB-UHFFFAOYSA-N 356.513 2.799 0 50 FFAA COc1cc2c(C(=O)N3CCN(C)CC3)c(C)oc2cc1Br 55201896 GNMOIVXBOPZCTI-UHFFFAOYSA-N 367.243 2.900 0 50 FFAA C[S@@](=O)c1cccc(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1 118823160 BCCQBPUWYWYBIF-HAWMADMCSA-N 371.462 2.630 0 50 FFAA O=C(O)c1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)c(Br)c1 823339861 NODHMVPPMFTWCR-UHFFFAOYSA-N 364.199 2.678 0 50 FFAA Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccn4)CC3)cc(C)nc21 101212114 POVWPGAHRHMSRI-UHFFFAOYSA-N 373.464 2.924 0 50 FFAA CN1C(=O)/C(=C/Nc2ncc(C(F)(F)F)cc2Cl)N(C)C1=S 100260044 TUDFLRXOLZXFPJ-YVMONPNESA-N 350.753 2.696 0 50 FFAA Cc1ncnc(N2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C 106981765 DSOBRWVLYFYCAZ-FQEVSTJZSA-N 354.498 2.599 0 50 FFAA O=C1NCCN1CCNCc1csc(C23CC4CC(CC(C4)C2)C3)n1 65385933 MDWOUSONDIPOKV-UHFFFAOYSA-N 360.527 2.726 0 50 FFAA CC(C)Oc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cn1 118641256 XQOWTWIGJUIQFZ-UHFFFAOYSA-N 361.486 2.520 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67771182 STDMMEBJCQQOLL-UHFFFAOYSA-N 362.433 2.709 0 50 FFAA Cc1ccc(N2CC[C@@H](N3CCCN(CC(F)(F)F)CC3)C2=O)cc1 121768592 FVAJVKVKJHKQJH-MRXNPFEDSA-N 355.404 2.670 0 50 FFAA O=C(O)COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1 324207245 OLMCZLCGELOQKD-HNNXBMFYSA-N 367.448 2.737 0 50 FFAA C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H]2C[C@H]2c2ccccc2)C1=O 252679467 MWLSUPKCLNSTPG-XIRDDKMYSA-N 350.418 2.863 0 50 FFAA Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCOCC2)cc1 787804 JIMDDSOLNVFMJW-UHFFFAOYSA-N 374.418 2.912 0 50 FFAA O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1 4578856 AHSGHEXYEABOKT-UHFFFAOYSA-N 358.390 2.734 0 50 FFAA biogenic OC[C@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1 39445511 FAOPSLRLKNVHCU-HNNXBMFYSA-N 366.421 2.919 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 72480506 SFYNPJLNEZVJGZ-UHFFFAOYSA-N 355.467 2.934 0 50 FFAA CCc1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)ccn1 77542330 BZLBBOUFSJGQTE-UHFFFAOYSA-N 367.497 2.919 0 50 FFAA CC(=O)c1cc(CN2CCC(c3nnc(CN(C)C)n3C)CC2)cs1 77378468 HWNVHMRVNSOEOW-UHFFFAOYSA-N 361.515 2.520 0 50 FFAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)/C=C/c1cccc(Br)c1 237434206 NZMGIBBKIANIHU-VLPCURTJSA-N 359.289 2.561 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1 14964152 CWQLZJAXPMOQOR-HNNXBMFYSA-N 350.484 2.548 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cn2cccn2)cc1 238043491 ORDWIUHVFKGECK-LJQANCHMSA-N 361.401 2.583 0 50 FFAA Cc1nc(C)c(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)o1 174181991 NIQLTYWYHUFYKN-UHFFFAOYSA-N 369.377 2.762 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3sc(N(C)C)nc3Cl)C2)cc(=O)[nH]1 72149036 NUXLTCYZEMNAPH-NSHDSACASA-N 367.906 2.634 0 50 FFAA NCCCNC(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77355479 SOAVGFIRRWWPRL-UHFFFAOYSA-N 370.497 2.797 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)sc2C)cc1 262919324 UYQBUBAFIVYYGR-OAHLLOKOSA-N 361.419 2.658 0 50 FFAA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[C@@H]1C(=O)O 262454398 WYNQANYIVKKMPV-STQMWFEESA-N 352.228 2.660 0 50 FFAA Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)[C@@H]3CNCCO3)CC2)c(C)c1C 215658699 CWPMELRIYYFQAC-IBGZPJMESA-N 372.509 2.638 0 50 FFAA CO[C@@H](C)c1noc(CN(C)c2nnc(-c3ccccn3)n2CC(C)C)n1 241160502 JXTVLDNIHPLYAZ-ZDUSSCGKSA-N 371.445 2.723 0 50 FFAA O=C(CCc1cccnc1)NCc1ccc(C(=O)N2CCCCC2)cc1 139018559 UXIAWGAKTGDHAR-UHFFFAOYSA-N 351.450 2.957 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H]2CCCn3nc(C)nc32)c2ccccc12 177004297 PNLZHWNERFSPNJ-HNNXBMFYSA-N 372.450 2.562 0 50 FFAA CC[C@H](NC(=O)c1cccc(-c2cc(N(C)C)ncn2)c1)c1ccnn1C 426370822 SSEXJRAJPRBENE-INIZCTEOSA-N 364.453 2.824 0 50 FFAA CCOC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ncccn23)CC1 223113057 FOVNPGHECBZWIN-UHFFFAOYSA-N 365.437 2.670 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CC[C@H](CN)C2)cc1OC 178546416 CDPFUHVYBORYNI-LLVKDONJSA-N 371.275 2.667 0 50 FFAA CC(C)c1ccc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1 82109250 ORAKFOKRWRNZML-UHFFFAOYSA-N 355.486 2.794 0 50 FFAA Cc1ocnc1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82091132 PFFZEPRQEFBJKS-UHFFFAOYSA-N 357.458 2.648 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3O)CC2=O)c1 82162555 DJBXSFJIPRYENK-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCOc3ccccc32)c(C)c1F 181677866 SCSVNIGXEXRSKY-ZDUSSCGKSA-N 365.426 2.987 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCOc2ccccc21 238030085 MAAPOKSEWXCILR-CRAIPNDOSA-N 351.402 2.981 0 50 FFAA Cc1nc(NCC2(c3ccccc3)CCOCC2)cc([C@@H]2CCOC2)n1 426723837 GWRKYNSWOUJKSV-QGZVFWFLSA-N 353.466 3.449 0 50 FFAA O=C(CCc1nc(Cl)n[nH]1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 91966002 ODKOOHZBYBGOCA-HZPDHXFCSA-N 373.888 2.514 0 50 FFAA CCNC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 91849286 AIKQSPODCDAHOJ-GOSISDBHSA-N 355.482 2.977 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1 91808387 WJSLSRBXIABLKV-AWEZNQCLSA-N 359.451 2.526 0 50 FFAA CNC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 96130313 CZPVDJNFKKUMLF-UHFFFAOYSA-N 364.492 2.949 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2C[C@H](C)O[C@H](C)C2)C1 180569828 VBGIREBEACKRMR-GUTXKFCHSA-N 367.877 2.746 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(c4ncncc4CC(=O)O)C3)nc12 95363778 RRXAKMJIUZIQAN-CYBMUJFWSA-N 351.410 2.672 0 50 FFAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N1CCN(c2ccncc2)CC1 95356641 XOKAPMFEWBRULT-LJQANCHMSA-N 350.466 2.511 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2CC(=O)O)n(C)n1 95524910 UFINCDDGMYFHCK-KRWDZBQOSA-N 355.438 2.833 0 50 FFAA OCc1csc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95358961 MAVBJZKMLPNICL-GFCCVEGCSA-N 361.496 2.721 0 50 FFAA Cc1noc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1 95501834 CCCGHGFUVRQIMM-HNNXBMFYSA-N 360.433 2.826 0 50 FFAA Cn1c(C2CCN(C(=O)c3cn4cccnc4n3)CC2)nc2ccccc21 91656108 RATSIYXRFCINAT-UHFFFAOYSA-N 360.421 2.636 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN(C)Cc1noc(C2CCCC2)n1 244659744 HIANEPLRLKGDFR-UHFFFAOYSA-N 371.441 2.756 0 50 FFAA CCOc1ccc(N[C@H](C)c2c(C)nn(CCS(C)(=O)=O)c2C)cn1 183199516 BTKNDLAIHYWPJM-GFCCVEGCSA-N 366.487 2.511 0 50 FFAA Cc1cc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)n2ncnc2n1 298762542 XSQMBVFKXGXCOA-UHFFFAOYSA-N 358.396 2.787 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 299752975 WHAYBHGUFMSGMM-GXFFZTMASA-N 361.316 2.644 0 50 FFAA CCOC(=O)N1CCN(C(=O)COc2cccc3c2ccn3C(C)C)CC1 252485284 GQCKTCQTGHLCAT-UHFFFAOYSA-N 373.453 2.902 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@@H](c2ccsc2)O1 268311278 BOHNRZUSFSSSNT-RISCZKNCSA-N 363.464 2.775 0 50 FFAA COCC1(NC(=O)NC[C@H](O)COc2ccc(Cl)c(C)c2)CCCC1 534592073 VIVXAEACVULVAB-AWEZNQCLSA-N 370.877 2.647 0 50 FFAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)/C=C/C(C)C)CC3)n1 299770760 QXXWRAQGSLCSJC-LKGOPFMKSA-N 355.482 2.847 0 50 FFAA CCc1nc(Cc2c(C)noc2C)n(-c2cc(=O)n(C)c3ccccc23)n1 584899549 HGYONLYTPFKZSI-UHFFFAOYSA-N 363.421 2.877 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)[C@H](C)OC[C@@H]3CCCCO3)CCO2)c1 268990296 GCPNBQURXKZSOH-SNRMKQJTSA-N 363.454 2.569 0 50 FFAA Cc1[nH]c(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(C)c1C(=O)O 738153864 FMSDGOBQLSXZFY-HNNXBMFYSA-N 352.394 2.698 0 50 FFAA Cc1cc(C)c(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c(O)n1 673634960 HXCARTVIGPRKCA-UHFFFAOYSA-N 371.412 2.531 0 50 FFAA CC[C@]1(O)CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 670453174 NHXKJNBXRSHBGH-ZDUSSCGKSA-N 353.362 2.511 0 50 FFAA O=C(O)C[C@@H](CCc1ccccc1)NC(=O)C[C@H](O)Cc1ccccc1 1875277688 YPAKFBBOUROKHO-RTBURBONSA-N 355.434 2.572 0 50 FFAA O=C(Nc1ccc(-c2n[nH]c3c2COCC3)cc1)N1CC2(CCOCC2)C1 1875296641 HBEZZXKQTKOXQT-UHFFFAOYSA-N 368.437 2.794 0 50 FFAA C[C@@H]1CCc2nc(Cn3cc(C(N)=O)c(=O)c4ccccc43)sc2C1 1875281021 LJVAZUWVEBRRTE-LLVKDONJSA-N 353.447 2.730 0 50 FFAA Cc1cc2n(n1)CCN(CC(=O)NCC1(c3ccc(F)cc3)CCCC1)C2 1875332168 JDQMNRBSMARURB-UHFFFAOYSA-N 370.472 2.774 0 50 FFAA Cc1nsc(NC(=O)NCCCS(=O)(=O)C(C)(C)C)c1Cl 1875326847 OZEFDSCNPJRIHG-UHFFFAOYSA-N 353.897 2.830 0 50 FFAA COC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2CC2CC2)[nH]1 952891241 YTSBPORJRAAYRM-HNNXBMFYSA-N 356.426 2.631 0 50 FFAA Cc1cccn2c(CC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cnc12 952980300 VYVHQHBRBSPDRR-IBGZPJMESA-N 364.449 2.788 0 50 FFAA CC(C)[C@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@@H]1NC(=O)N(C)C 1565509731 GAFGSSPDEQVOGQ-MSOLQXFVSA-N 369.465 2.730 0 50 FFAA CSc1cccc(CN2CC[C@H](NC(=O)c3ccccc3)[C@@H](O)C2)c1 1565507121 LNAWJQGJFCZWAB-OALUTQOASA-N 356.491 2.774 0 50 FFAA CCc1noc(C2CCC(N[C@H]3CCO[C@H](c4cncn4C)C3)CC2)n1 275604974 QQPWQZANQSBCMO-NDTCATRNSA-N 359.474 2.902 0 50 FFAA Cn1ccnc(N2CCC[C@H](NCc3csc4ccccc34)C2)c1=O 275650670 UIGVHIHGKKEWNH-HNNXBMFYSA-N 354.479 2.754 0 50 FFAA CCOC(=O)c1ncsc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 170617598 MELBEXNLWQPEMP-SNVBAGLBSA-N 363.370 2.523 0 50 FFAA O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCC(c2ccncc2)CC1 190615517 PSIBACYTCSGIIV-SFHVURJKSA-N 351.454 2.645 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)cn1 195317253 AQGFNSLCXYAXAJ-JTQLQIEISA-N 354.815 2.720 0 50 FFAA Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)CCc1n[nH]c2c1CCCC2 1506404447 HTOBNTBMPZWZDN-CYBMUJFWSA-N 372.444 2.812 0 50 FFAA Cc1cc(C)n(C[C@H](C)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 1506427234 LERXXESUXXEBOG-LBPRGKRZSA-N 374.436 2.581 0 50 FFAA COc1cccc(CC(=O)N2CCCN(c3nc(C)nc(C)c3C)CC2)c1 1772809119 MSLCDGKPQAYHSA-UHFFFAOYSA-N 368.481 2.692 0 50 FFAA CC(=O)c1ccc(N2CCCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)nc1 1772816775 VAIWWRNAGKNHMK-QGZVFWFLSA-N 367.449 2.790 0 50 FFAA CC(C)C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)C(=O)O 5007855 ZWMRCGVPIXJDPG-NWNNTGRJSA-N 370.405 2.666 0 50 FFAA COc1cc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc(OC)c1 11957899 KJDBMFROUWNGLS-OAQYLSRUSA-N 358.482 2.928 0 50 FFAA CC[C@H]1CN(C(=O)c2ccc(NCc3cc(C)on3)nc2)CCN1C(C)C 12072625 RQAMYJNANLXHIC-SFHVURJKSA-N 371.485 2.935 0 50 FFAA CC(C)CCn1c(CN(C)Cc2ccon2)cnc1S(=O)(=O)C(C)C 12302994 NCJBKXYHAMRPCM-UHFFFAOYSA-N 368.503 2.731 0 50 FFAA COc1ccc(CN2CCN(C3Cc4ccccc4C3)CCC2=O)cc1 12328865 XYWDLPNDSYDBIJ-UHFFFAOYSA-N 350.462 2.897 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)nn1C 15076725 KHULDTRTOFCTTF-QGZVFWFLSA-N 372.488 2.894 0 50 FFAA O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 18123304 AGHMAGPUUYKTIX-SFHVURJKSA-N 369.852 2.794 0 50 FFAA CC(C)CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860075 NOHPMPHVZFPLIP-OAHLLOKOSA-N 372.918 2.654 0 50 FFAA O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C1(c2ccccc2F)CC1 222495755 PNGCWYSRFUYNFJ-IDHHARJASA-N 354.425 2.751 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857720651 DFEUJNOINKBPOW-DLOVCJGASA-N 359.253 2.593 0 50 FFAA COc1cccc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)c1 1857727514 VCYSUMKGCIMTFV-UNMCSNQZSA-N 368.477 2.768 0 50 FFAA CCn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@H]1CC[C@@H](OC)[C@H](N)C1 1857731556 JZPOAMOKJDUOSC-ARFHVFGLSA-N 374.485 2.516 0 50 FFAA O=C(N[C@H]1CCCc2occc21)[C@@H](c1cccc(F)c1)N1CCOCC1 332869572 VGVPXMZSHBWJAI-PKOBYXMFSA-N 358.413 2.986 0 50 FFAA C[C@H](c1nnnn1-c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1 158824169 FEIMDXKFVQKFAK-IIBYNOLFSA-N 361.449 2.897 0 50 FFAA CC(C)N1C[C@@H](Nc2ncccc2C(=O)N2CCc3ccccc32)CC1=O 266167567 YLUKYJIGUMOARG-INIZCTEOSA-N 364.449 2.706 0 50 FFAA CN(C[C@@H]1CC12CCN(C(=O)CN1CCc3sccc3C1)CC2)C1CC1 2325718562 SYQGOYVKOBPQKH-KRWDZBQOSA-N 373.566 2.829 0 50 FFAA O=c1c(Cl)c(N2C[C@@H]3CC[C@H](C2)N3)cnn1Cc1ccccc1Cl 2325759880 LASVOVMCNGGHFG-BETUJISGSA-N 365.264 2.539 0 50 FFAA Cc1cnc(CCC(=O)N2CCN(c3cccc4cnccc34)C[C@H]2C)[nH]1 2325779875 MIGGDRLAHCZNTB-MRXNPFEDSA-N 363.465 2.936 0 50 FFAA COc1ccc(C2(C(=O)N3CCOC[C@@](C)(CO)C3)CCCCC2)cc1 2325801135 XPFCRFBNNBKSGI-HXUWFJFHSA-N 361.482 2.755 0 50 FFAA Cc1nc(C2CCNCC2)[nH]c1C(=O)Nc1cnn(-c2ccc(F)cc2)c1 2325808250 JGOZEQQATWZPLK-UHFFFAOYSA-N 368.416 2.762 0 50 FFAA CN1CCC2(CC1)C[C@H](O)CN2C(=O)CCc1c(Cl)cccc1Cl 2325810723 ADDHFMMPHVCTRB-ZDUSSCGKSA-N 371.308 2.984 0 50 FFAA O=C(NC[C@H]1NCCc2sccc21)c1ccn(-c2ccccc2F)n1 2325856433 PNQRKFPTDPHQLU-OAHLLOKOSA-N 356.426 2.690 0 50 FFAA CC[C@@H]1C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCCN2 2325866838 BOXSJTYCHBBGSS-JLSDUUJJSA-N 355.482 2.812 0 50 FFAA C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(Cl)cc1)S(C)(=O)=O 101471574 ATDPBLHDRVMVRL-WFGGJUAMSA-N 370.902 2.799 0 50 FFAA C[C@@H](C(=O)NCC1(CO)CCCC1)N1C(=O)c2cccc3cccc1c23 55340840 BDCBALPLZSTTIS-AWEZNQCLSA-N 352.434 2.857 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3cccn3)ncn2)cc1C 67629778 AQZNXHATRNBSJV-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA O=C(NC1CC1)c1ccc([C@@H]2CCCN2C(=O)CCc2cnccn2)s1 23232128 SETXQSASHSJTOB-HNNXBMFYSA-N 370.478 2.727 0 50 FFAA CC(C)N1CCCC[C@@H]1C(=O)NCCc1nccn1Cc1ccccc1 118765798 PWXRZLAOUXVENH-LJQANCHMSA-N 354.498 2.853 0 50 FFAA COc1ccc(CC2(CO)CCN(c3ncnc4c3CCC4)CC2)cc1 67515501 JFRHSIAAYTUNLC-UHFFFAOYSA-N 353.466 2.796 0 50 FFAA O=C(Nc1cccc(Cl)c1-n1cccn1)N[C@H]1CCc2[nH]ncc2C1 122194170 ZEOHLHYDUNONAV-LBPRGKRZSA-N 356.817 2.928 0 50 FFAA CN(Cc1nccs1)c1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 67850707 PKOAIFOLVWCJDP-INIZCTEOSA-N 373.526 2.779 0 50 FFAA CCn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cn1 2804532 IFYDYPFLGAQCST-UHFFFAOYSA-N 365.846 2.602 0 50 FFAA Cc1cc(C)n(Cc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)n1 2802353 DOGIBKPREDUSQS-UHFFFAOYSA-N 358.409 2.540 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3cccc4cccnc34)C2)C1=O 12430489 YEFOMEOTBRNJIW-OAQYLSRUSA-N 353.466 2.696 0 50 FFAA COc1cc2c(cc1OC)CN1C(=S)N(c3ccccc3)C(=O)[C@H]1C2 4721946 PIUWWGQWAZMCLO-OAHLLOKOSA-N 354.431 2.762 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 282325929 YTLVBFDECHXQBU-DJIMGWMZSA-N 365.495 2.636 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)CCCn3cccn3)cn2)c1 72409809 FNMHDDGOBXLLCH-UHFFFAOYSA-N 353.426 2.516 0 50 FFAA CCn1nc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)cc1C 72411472 ILCOCSIODBUOBJ-UHFFFAOYSA-N 368.485 2.621 0 50 FFAA O=C(c1ncccc1O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72462876 GHNLVUMLRBWHFM-UHFFFAOYSA-N 366.339 2.930 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1 129545473 QATAQRFVISBJDZ-INIZCTEOSA-N 357.454 2.504 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NC[C@H]3CCS(=O)(=O)C3)n2n1 72474359 FUOGAPILAUYXLW-CQSZACIVSA-N 356.451 2.551 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c1C 72446855 FORHGYLKRAUFAU-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)Cc2ccccc2O1 455172329 XDAMVGTWBVDWKG-SNVBAGLBSA-N 352.316 3.310 0 50 FFAA CC1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[nH]2)Cc2ccccc2O1 460829923 JQLFSIBZSWZVJF-UHFFFAOYSA-N 369.347 2.706 0 50 FFAA Cc1cc2nc(CCC(=O)NCCc3nc(C4CC4)no3)[nH]c2cc1C 221354883 NUOBKGLNSSVWDO-UHFFFAOYSA-N 353.426 2.732 0 50 FFAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@H](Cn2ccnc2)C1 426487491 QICIYJAAHOYCMW-MRXNPFEDSA-N 369.469 2.837 0 50 FFAA CCC(=O)NCc1cccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c1 426662416 YHTDQOTXYFHLKP-UHFFFAOYSA-N 365.477 2.767 0 50 FFAA COc1cc(Cl)ccc1C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 223489022 NAYRHLKWMDQYIC-HNNXBMFYSA-N 352.862 2.722 0 50 FFAA O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(c2ccccc2)CC1 426381409 GYLJEILLTXBWLJ-IBGZPJMESA-N 352.482 2.756 0 50 FFAA CCC1CCN(CCNC(=O)N(C)Cc2cnc3ccccc3n2)CC1 426649769 VLRZQYMNHATMPB-UHFFFAOYSA-N 355.486 2.893 0 50 FFAA CCCCn1c(SCC2CCN(C(=O)C(C)(C)C)CC2)n[nH]c1=O 181732251 GKWBNCJPZPCNHI-UHFFFAOYSA-N 354.520 2.748 0 50 FFAA CCc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95374237 ZGCXIUAZQPDHQY-GOEBONIOSA-N 374.485 2.976 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc2c(c1)OCC(=O)N2 97475581 SUOYICXEXPELCK-UHFFFAOYSA-N 369.425 2.673 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@@H]1COc2ccccc2C1 92037935 RLCJKVFWCADNIE-OAHLLOKOSA-N 360.417 2.828 0 50 FFAA O=C([C@H]1CCOc2ccccc2C1)N1CCCN(Cc2ccncc2)CC1 96136205 RZMNOLOQLCTRHB-FQEVSTJZSA-N 365.477 2.757 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)sc1Cl 91391509 IQLJVMISFGXFAR-GFCCVEGCSA-N 369.918 2.945 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C)c(N3CCNC3=O)c2)on1 91475755 RWSCQUVHDKYYTH-HNNXBMFYSA-N 354.410 2.798 0 50 FFAA Cc1cc(C)n(-c2cccc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)c2)n1 96180566 NMPFWQSHLMDQRJ-LJQANCHMSA-N 369.465 2.635 0 50 FFAA O=C(C1CCC1)N1CCC(C(=O)N2CCC(c3ccncc3)CC2)CC1 91663106 ZMSIJZZYXNYBPD-UHFFFAOYSA-N 355.482 2.826 0 50 FFAA CC(C)Cc1cc(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)on1 91645705 CMBODEQNHWYZPJ-UHFFFAOYSA-N 366.421 2.527 0 50 FFAA COC(=O)c1ccc2c(c1)n(Cc1ncccn1)c(=O)n2C1CCCCC1 95517518 DDMBWDJHJNOLMY-UHFFFAOYSA-N 366.421 2.933 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1 237963171 RFBAPSSIFUKBQD-HOCLYGCPSA-N 356.353 2.584 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 91535520 GDCMZBGVQHUUJD-MRXNPFEDSA-N 372.444 2.776 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc3ccc(OC)cc3n1C)C2 97463456 XSBRYHLCVHHGDL-JKSUJKDBSA-N 369.465 2.660 0 50 FFAA COc1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)c1OC 91965250 YXHPTCNNVTUJET-JKSUJKDBSA-N 373.380 2.783 0 50 FFAA CCCCn1nc(CCc2ccccc2)nc1C[C@@H]1CN(C)CCN1C 96154136 IKEJRZWXMHYHQR-LJQANCHMSA-N 355.530 2.652 0 50 FFAA CCCCN(Cc1ccccc1F)C(=O)CN1C(=O)OC(C)(C)C1=O 95531088 ZRFQWIQVKVXNCR-UHFFFAOYSA-N 350.390 2.712 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)C3CCN(C(C)C)CC3)[nH]c2c1 95369932 IFMUNRFPCREMIO-UHFFFAOYSA-N 358.486 2.693 0 50 FFAA CCn1nc(Cn2cncn2)nc1[C@@H]1CCCCN1Cc1ccccc1 96153504 YELINUSJGOWFOI-KRWDZBQOSA-N 351.458 2.665 0 50 FFAA COc1cc2c(cc1OC)CN([C@@H](C(=O)O)c1ccc(N)c(F)c1)CC2 95378761 RPNCUPOKZZPGAG-GOSISDBHSA-N 360.385 2.609 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3c2COCC3)c1 244691571 JFDFUMRBIAWOFA-INIZCTEOSA-N 355.438 2.612 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@H]2C=Cc3cc(C)ccc3N12 248382017 VRDUDBDQAGEVGG-XMTFNYHQSA-N 352.434 2.568 0 50 FFAA O=C(O)CN(CCc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CS2 299753927 ZUQOSMMTNLRWOX-UHFFFAOYSA-N 370.430 2.500 0 50 FFAA COc1ccc(-n2cc([C@@H](C)NC(=O)N3CCOC(C)(C)C3)cn2)cc1 534581962 KAZGQRPKEAPQIS-CQSZACIVSA-N 358.442 2.762 0 50 FFAA CCc1cc(-c2ccc(C(=O)N[C@H](C)c3nnc(N)s3)cc2)nc(C)n1 534655097 RWERARCRHSYVEI-SNVBAGLBSA-N 368.466 2.939 0 50 FFAA CSCc1noc(CNC(=O)N2CCCC[C@H]2c2nccs2)n1 534661214 UJWJYVAQEXSVEJ-JTQLQIEISA-N 353.473 2.826 0 50 FFAA O=C(CCCc1cccs1)N1CCCN(C(=O)Cc2ccccn2)CC1 368794444 IYGTYWJPIRQFOX-UHFFFAOYSA-N 371.506 2.769 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1scc2c1OCCO2 299769859 JMKXDLGXMLJBAW-ZDUSSCGKSA-N 358.463 2.696 0 50 FFAA O=C(COC[C@@H]1CCCO1)NCc1cc(-c2ccccc2Cl)on1 299758166 OJAXIRCGIBJUSO-ZDUSSCGKSA-N 350.802 2.807 0 50 FFAA CN1CCO[C@H](CNC(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)C1 299767986 DJUVGKKQHUGRST-GOSISDBHSA-N 366.465 2.981 0 50 FFAA CN(C)CCN(C)c1ccc(Br)cc1NCc1nccn1C 864097401 RRUZNGJMGOVSOJ-UHFFFAOYSA-N 366.307 2.793 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)/C=C/c1cnc(N(C)C)nc1 824396952 WGTLWURCMFTMFF-CMDGGOBGSA-N 374.872 2.884 0 50 FFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 268935948 HKNIJECRIHRKRW-ONIAQPFYSA-N 370.449 2.822 0 50 FFAA COc1cccc([C@@H](C)NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)c1 670437477 OCONPLMIOSPPDZ-GFCCVEGCSA-N 373.375 2.562 0 50 FFAA CC(C)(C)O[C@H]1C[C@@H](CC(=O)N2CCc3c[nH]c(=N)nc3C2)C12CCC2 1875285023 ADIOQSMLJFJELJ-HOCLYGCPSA-N 358.486 2.538 0 50 FFAA Cc1conc1Cc1noc(CCN2C(=O)CCc3cc(F)ccc32)n1 1875286198 OBDJQRRXNBZEID-UHFFFAOYSA-N 356.357 2.618 0 50 FFAA O=C1N[C@@H]([C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1c1cncc(Br)c1 1875291009 LFJLANWCCAIOJT-VDUILEQBSA-N 350.216 2.705 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 1875386062 IGOVIUZQKDHHEM-QGZVFWFLSA-N 358.507 2.943 0 50 FFAA Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](N[C@@H](C)c3ccccc3)C2)c1C 1875301941 YFEZKBLRSKNVTH-FUHWJXTLSA-N 367.497 2.725 0 50 FFAA O=C(O)[C@@H](c1ccc(Cl)c(F)c1)N1CCC(O[C@H]2CCOC2)CC1 1875304382 ITFZRMNEXXAKAU-XJKSGUPXSA-N 357.809 2.875 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc4c3OCCCO4)nn(C)c21 1875403362 URSFOYRWSIMWLY-OLZOCXBDSA-N 371.437 2.534 0 50 FFAA O=C(CCOCC1CC1)N1CCC(c2nccc(N3CCCC3)n2)CC1 952892151 KTHTUDNZKHCEKN-UHFFFAOYSA-N 358.486 2.600 0 50 FFAA C[C@H](Cn1cccn1)C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952977980 JGRLMKXYXHNFSD-MRXNPFEDSA-N 369.469 2.582 0 50 FFAA CO[C@@H]1CCCN(C(=O)NCCc2nccn2Cc2ccccc2)CC1 888093203 VDKINENVXTUKDF-GOSISDBHSA-N 356.470 2.684 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1cc3c(cc1Cl)OCO3)C2 1565525398 DGIQCRWBRYYZRL-HIFRSBDPSA-N 352.862 2.611 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@@H]1CCO[C@@H](c2cncn2C)C1 275639471 SUHWUFXGBGBQSW-IDHHARJASA-N 357.454 2.980 0 50 FFAA CC(C)(C)OC(=O)N1Cc2ccc(CNC(=O)c3cnns3)cc2C1 170602553 FIZLSXFLESSZAX-UHFFFAOYSA-N 360.439 2.719 0 50 FFAA COC(=O)C[C@](C)(NC(=O)Cn1ncc2ccccc21)c1ccc(F)cc1 170608899 NNAICVMYFNTEBA-FQEVSTJZSA-N 369.396 2.770 0 50 FFAA COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)C1 772931097 SEPOANLTLXHUOE-CVEARBPZSA-N 370.453 2.777 0 50 FFAA CCn1ncc(C)c1NC(=O)c1cccc(OCC(=O)N2CCCCC2)c1 1506402436 NIMMIAYEBSWNEY-UHFFFAOYSA-N 370.453 2.855 0 50 FFAA CN(C)C(=O)c1cncc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 1506396606 CSFJBVXMAMAIFQ-ZDUSSCGKSA-N 351.410 2.704 0 50 FFAA O=C1CCN(Cc2ccc(-n3ccnc3)cc2)CCN1Cc1ccccn1 1506413170 ICTAAZIHGVIVAL-UHFFFAOYSA-N 361.449 2.502 0 50 FFAA COc1c(F)ccc(C(=O)N2CCCN(C(=O)C3CC=CC3)CC2)c1F 1704336461 JJJOHZFZGNCNFO-UHFFFAOYSA-N 364.392 2.614 0 50 FFAA CC(C)c1cc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)on1 1704309280 MQTKONBDPGKITI-AZUAARDMSA-N 358.438 2.678 0 50 FFAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)N(C)Cc1ccccc1)C2 1704299013 MTXMVXFWNFNFNU-QZTJIDSGSA-N 352.500 2.644 0 50 FFAA CSCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccoc3C)CC[C@@H]21 216915355 XKPNJVNDRXAMAX-ZBFHGGJFSA-N 350.484 2.794 0 50 FFAA COCc1cc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)ccc1OC 1772817384 NPRPEODDCDLWDJ-UHFFFAOYSA-N 363.417 2.980 0 50 FFAA COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 13616000 IMTUMMUSHUNNDU-SFHVURJKSA-N 354.406 2.856 0 50 FFAA CC(=O)N1CCC(N[C@H]2CC(=O)N(Cc3cccc4ccccc34)C2)CC1 15062825 MLXOGEJRYIJDKN-FQEVSTJZSA-N 365.477 2.541 0 50 FFAA CCN(CC)c1ccc(NS(=O)(=O)c2cnc(NC(C)=O)s2)cc1 16623946 XIXTXJNICFJXTK-UHFFFAOYSA-N 368.484 2.749 0 50 FFAA COC(=O)C[C@H](c1ccc(Cl)cc1)c1c(O)n2ccccc2nc1=O 205976324 ZKAISWBXSGUSNL-CYBMUJFWSA-N 358.781 2.749 0 50 FFAA O=C(COC[C@@H]1CCCCO1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857678361 DZLJHGRRBWWIKV-KRWDZBQOSA-N 369.465 2.590 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc(C(F)F)[nH]n1)CC2 1857700784 LUXSMUWHRQYPSG-UHFFFAOYSA-N 371.391 2.989 0 50 FFAA CC/C(C)=C/CCN1C[C@@H]2[C@H](CNC(=O)c3ccon3)[C@H]3CC[C@]2(C1)O3 1857729422 ADFBEHAGFZOSDN-OOLMHFEUSA-N 359.470 2.630 0 50 FFAA O=C(NC1CCOCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857733248 BGMXAZXPNUEGSU-GFCCVEGCSA-N 363.845 2.993 0 50 FFAA Cc1c(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c(O)nc2ccccc12 408360522 VMGWJKWYVDTBHR-MRXNPFEDSA-N 354.328 2.778 0 50 FFAA COc1cccc(Oc2c(C)oc3cc(OCC(N)=O)ccc3c2=O)c1 1135680 BLFYZYLFUYVGCR-UHFFFAOYSA-N 355.346 2.766 0 50 FFAA biogenic CCC[C@@H]1C(=O)NCCN1C(=O)c1[nH]c2ccccc2c1Br 123147888 FQHQARDFYRKJOW-GFCCVEGCSA-N 364.243 2.671 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)CCOCC1)[C@H]1CCn2ccnc2C1 333151412 FSQDNZMOWKCMOJ-AWEZNQCLSA-N 359.857 2.921 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 238019400 IWAXYEZJPDFKDD-OAHLLOKOSA-N 358.438 2.921 0 50 FFAA O=S(=O)(NC1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1 140689803 BGXDKZKPDMYSIR-UHFFFAOYSA-N 366.433 2.908 0 50 FFAA C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1cnn(C)c1 266763672 HPTKVBBSUPJXSQ-CZUORRHYSA-N 356.426 2.799 0 50 FFAA Cc1ccc2ccnc(NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)c2c1 824328567 VMSVZNQQVSFHBY-CHWSQXEVSA-N 351.328 2.796 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OC)c(Cl)c2)C1=O 2100483790 PERRXYPPLZXPMG-LJQANCHMSA-N 366.889 2.952 0 50 FFAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ncn2c1CNCC2 2325768350 JISOZNCGLOTXIA-UHFFFAOYSA-N 350.426 2.683 0 50 FFAA CC1(C)NCc2sc(NC(=O)c3cc([C@H](O)C(F)(F)F)ccn3)nc21 2325799093 UIRFCEKWROIGEX-NSHDSACASA-N 372.372 2.724 0 50 FFAA O=C(O)CCN1CCN(C(=O)c2ccc(Cc3ccccc3)cc2)CC1 2325813003 BGWOLFNAXRPJDZ-UHFFFAOYSA-N 352.434 2.510 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4CC[C@H](C3)N(C)C4=O)s2)c1 72457909 OQABZOCUKOPEEG-LSDHHAIUSA-N 357.479 2.871 0 50 FFAA COc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 813064 SORCAYOUDXTQGH-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C 995321 QVJVEYBGEGNOLY-UHFFFAOYSA-N 350.396 2.898 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cccc(Cl)c1 1172997 PDXXIHPCERMODW-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCn1c(N2C[C@@H]3[C@@H](CCC[C@@]3(O)CC)C2)nc2cc(C(=O)OC)cnc21 2356139598 UHAYSZZCXGRMMO-AGKSTNPPSA-N 372.469 2.615 0 50 FFAA CCc1ncnc(N2CCc3nc(CCc4ccccc4)nn3CC2)c1F 2356164281 NFTUVOVPPAWUQF-UHFFFAOYSA-N 366.444 2.618 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 4122522 IMRKRFLFOYTSEX-UHFFFAOYSA-N 355.438 2.708 0 50 FFAA COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1OC 4943595 IAFIAVZHCUUANX-UHFFFAOYSA-N 367.405 2.955 0 50 FFAA CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccncc1 6746332 YUJLYXIMEBVKJB-SNVBAGLBSA-N 360.468 2.936 0 50 FFAA COc1ccccc1-c1nc2c3c(C)c(C)n(CCN(C)C)c3ncn2n1 6760318 DDOUBPGYVLYRAH-UHFFFAOYSA-N 364.453 2.933 0 50 FFAA Cc1cccc(CN2CCN(CCCc3ccccc3)C[C@@H]2CCO)n1 22851620 ICBPZTDGQCWJBF-QFIPXVFZSA-N 353.510 2.891 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)N(Cc2ccsc2)CC(C)C)n1 55244733 UNNQNTASFNDGOK-UHFFFAOYSA-N 351.497 2.917 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(C)ccc2C)C1 106231779 KWDPPVUELUZPKF-HZPDHXFCSA-N 352.500 2.542 0 50 FFAA CC(=O)Oc1ccc(/C=C2/N[C@H](c3ccccc3)OC2=O)cc1OC(C)=O 25691524 UZONXTCKKGCSPR-XLCPLWEUSA-N 367.357 2.723 0 50 FFAA CC(C)N1CCN([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 23358994 NFVBLSVYVNBLEH-GOSISDBHSA-N 365.468 2.872 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)N1CCCC1 67821183 MPKQAOKARKDVFW-OAHLLOKOSA-N 355.438 2.983 0 50 FFAA C[C@@H](O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 67713950 CFJJGFHDQRLDHU-OAHLLOKOSA-N 361.445 2.855 0 50 FFAA C[C@@H](CS(C)(=O)=O)NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 172273580 JHQGRHNNCFAKRS-WCQYABFASA-N 367.496 2.576 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1cc(N)[nH]n1)CCO2 67491063 QFYZXFKJLBWICY-UHFFFAOYSA-N 364.405 2.708 0 50 FFAA COc1cc(CNCCNC[C@@H](C)O)ccc1OCc1ccc(C)cc1 20367378 NITFNIQZIIAMIC-QGZVFWFLSA-N 358.482 2.643 0 50 FFAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CNC(N)=O)cc12 71763456 PTSUSHCLZMFLMG-UHFFFAOYSA-N 354.385 2.567 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67856065 PNBDPCHNZGBNMB-LLVKDONJSA-N 363.425 2.639 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2CCCN(C3CCSCC3)C2)cc1 11934622 MRDQKSCBPQTLGE-KRWDZBQOSA-N 362.539 2.962 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)c2coc(COc3cccc4cnccc34)n2)C1 67842768 JISKFIJSEWAJTR-OAHLLOKOSA-N 366.421 2.578 0 50 FFAA CN(C)C1CCN(CCN[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 230099198 DJEQSVFKUJLLSX-MDNUFGMLSA-N 370.585 2.513 0 50 FFAA C/C(=C\c1ccccc1)CN1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 121052478 YBJSSAHDLAFNNF-QDUHJBTASA-N 357.542 2.817 0 50 FFAA CCOC(=O)Cc1cccc(NC(=O)c2c[nH]nc2-c2cnn(CC)c2)c1 427466200 LAYRAZDCBPUZMT-UHFFFAOYSA-N 367.409 2.651 0 50 FFAA O=C(c1cnc(S)n1-c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 121591216 ZJFYDXBMTIJTDA-AUUYWEPGSA-N 357.479 2.928 0 50 FFAA CCn1ncnc1CN1CCC[C@@]2(CCN(C(=O)OCC(C)(C)C)C2)C1 67514394 CZDCWFGBRMKQSR-LJQANCHMSA-N 363.506 2.769 0 50 FFAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(-n2cccc2)c1 409413624 JLRLKSZKZJUPJY-SFHVURJKSA-N 374.400 2.557 0 50 FFAA COc1cccc(-c2ncc(CN3CCC4(CC3)CNC(=O)C4)s2)c1 65530832 JHYLBSAGYLMXGP-UHFFFAOYSA-N 357.479 2.921 0 50 FFAA CCn1cc([C@@H](C)NC(=O)CCn2cc(Br)c(C)n2)c(C)n1 2805017 FREYYCSMILWNOV-SNVBAGLBSA-N 368.279 2.746 0 50 FFAA COc1ccc2[nH]nc(CN3CCCC[C@@H]3CCN3CCOCC3)c2c1 77406271 JACATUBHPMZHHP-MRXNPFEDSA-N 358.486 2.648 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 72418781 LNPDBQZLJNZLNY-FQEVSTJZSA-N 374.525 2.763 0 50 FFAA Cc1cc(C)n(CCNc2cc(-c3ccccc3)nc3ccnn23)c(=O)n1 72431763 DGIKNEZHLVVNKP-UHFFFAOYSA-N 360.421 2.682 0 50 FFAA CCCN(C)Cc1cc2n(n1)CCCN([C@@H](C)C(=O)Nc1ccccc1)C2 72162032 NINIAKPSTMUYKI-KRWDZBQOSA-N 369.513 2.958 0 50 FFAA CC(=O)NCCc1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C 38144971 KNZCRLUUZUYQKV-UHFFFAOYSA-N 351.410 2.896 0 50 FFAA Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 72418400 WKFVWVZYULBTSJ-QGZVFWFLSA-N 367.497 2.739 0 50 FFAA CCCNc1ncc(CN2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cn1 77523150 JXCQIQFFKDLGKO-NRFANRHFSA-N 371.529 2.913 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 238007611 OIHYBHPPNZZYGY-MRXNPFEDSA-N 355.438 2.908 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(C(=O)C(C)(C)c3ccccc3)C2)n1C 72476633 XWGLOADCIDYWJR-INIZCTEOSA-N 369.513 2.561 0 50 FFAA COc1ccc(-c2ccc(CN3CCC[C@H]3C(=O)N3CCOCC3)o2)cc1 215715921 ZRYIOEJSDNRPKI-IBGZPJMESA-N 370.449 2.778 0 50 FFAA Cc1cc(N2CCC[C@H](Nc3nccc4c3C(=O)OC4(C)C)C2)n(C)n1 376652492 QTKUGFVTOCFPNU-ZDUSSCGKSA-N 355.442 2.610 0 50 FFAA O=C(c1cc(Oc2ccccc2)ccn1)N1CCC[C@H]1CN1CCOCC1 174425240 WLSDYRRCRFBDPP-KRWDZBQOSA-N 367.449 2.811 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)CO2 287700007 DHLMATRLBUJQJZ-DYVFJYSZSA-N 373.371 2.552 0 50 FFAA CN(C[C@@H]1COc2ccccc2O1)C(=O)NC1CCN(C2CCCC2)CC1 176008855 SLTKNOONGUTRAG-GOSISDBHSA-N 373.497 2.875 0 50 FFAA CN(c1ccc2ccccc2n1)S(=O)(=O)c1cnn(C2CCOCC2)c1 133295432 MLRSSFYAAIICHW-UHFFFAOYSA-N 372.450 2.608 0 50 FFAA Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCOc2ccccc21 176175077 YRFKKUVDIKPCJE-SJORKVTESA-N 354.454 2.932 0 50 FFAA C[C@H]1C[C@H](NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CN1C1CC1 177075819 QTNHPPDSPPOXIX-AAEUAGOBSA-N 371.462 2.894 0 50 FFAA COc1cc(C)cc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 178761789 YUVFJCTUJJHWQQ-UHFFFAOYSA-N 374.462 2.757 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)c(C)c1 48255073 NKBACLGVQLAHRH-INIZCTEOSA-N 355.486 2.641 0 50 FFAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1cccc(OC(F)F)c1 222524276 HNQXOEPJHGMNSV-HOTGVXAUSA-N 355.381 2.850 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1 82125438 INRFGUHVIPMTSH-UHFFFAOYSA-N 374.529 2.966 0 50 FFAA CNC(=O)c1cc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)ccc1OC 426409283 HZDKXCMHUYNAKM-UHFFFAOYSA-N 373.457 2.739 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3nc4ccc(Cl)cc4[nH]3)C2)no1 426677850 DUVNEMNBYKMCMZ-NSHDSACASA-N 374.832 2.997 0 50 FFAA COc1ccc(-c2ccc(C(=O)N(C)CC3(CO)CCOCC3)cc2)cn1 426551952 IOCQRTLHDMGXMB-UHFFFAOYSA-N 370.449 2.618 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccnc(C(C)C)n3)CC2=O)cc1 426519244 LCIROLIMZVZZHU-HNNXBMFYSA-N 352.438 2.786 0 50 FFAA CC[C@H](C)[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91616752 QTBMGAULKKJHPF-PXNSSMCTSA-N 371.525 2.791 0 50 FFAA CC(C)c1noc([C@H](C)NC(=O)N2CCC(CCn3cccn3)CC2)n1 426533631 AFFORUCAANETGZ-AWEZNQCLSA-N 360.462 2.962 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@H]1c1cccnc1 91563046 WXSPQKJZUKCAGR-UONOGXRCSA-N 362.332 2.623 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)CCc1ccc(N(C)C)cc1)CC2 92061611 LQSLBQXSFVHFHG-UHFFFAOYSA-N 357.498 2.546 0 50 FFAA Cc1cnn(CC2CCN(C(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)CC2)c1 91858660 TWDXVPVPXQXLFH-QGZVFWFLSA-N 370.428 2.695 0 50 FFAA Cn1c(C(=O)N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cc2ccccc21 91725923 ZPXXOKXYUICJRW-RTBURBONSA-N 369.509 2.735 0 50 FFAA O=C(c1scc2c1OCCO2)N1CC[C@@H](Cc2cccc(CO)c2)C1 91707083 VQNBRVNFBGBYKY-AWEZNQCLSA-N 359.447 2.716 0 50 FFAA c1cc(Cn2ccnc2[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)ccn1 91452301 GIYZZLLGJRXHCY-INIZCTEOSA-N 359.437 2.982 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N(C)CCc1c(C)n[nH]c1C 95502842 BTBZHBZTAGKGEN-UHFFFAOYSA-N 359.430 2.700 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCc2nc(N(C)C)ncc21 91951278 RKRAPFRFLVKBCQ-INIZCTEOSA-N 370.501 2.765 0 50 FFAA COc1cc(C)c([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c(C)c1 95388679 FDIXFDFEKZCLEG-HXUWFJFHSA-N 369.465 2.651 0 50 FFAA O=C(NCCCN1CCc2ccccc21)c1cc(-c2ccc(O)cc2)n[nH]1 97660329 WYQMPQDCWMHQQF-UHFFFAOYSA-N 362.433 2.965 0 50 FFAA O=C(N[C@]1(C(=O)O)CCCc2ccccc21)c1nc2ccccn2c1F 95527632 AECXGPJNJQMBHT-LJQANCHMSA-N 353.353 2.520 0 50 FFAA NC(=O)Cn1ccnc1[C@@H]1CCCN(c2ccnc3cc(Cl)ccc23)C1 95509314 KXBURJRQZOWNGR-CYBMUJFWSA-N 369.856 2.954 0 50 FFAA COCc1noc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)n1 91657059 MMZHXRMTXRZJPL-SFHVURJKSA-N 370.497 2.918 0 50 FFAA CCc1nnc(CNC(=O)Nc2cccc(-c3nncn3C)c2C)s1 95516623 UXBURAQYRWNZDF-UHFFFAOYSA-N 357.443 2.526 0 50 FFAA Cc1ccc(C)n1CCCC(=O)NCCc1nc(-c2ccccn2)no1 253412912 SLHKVASGNDJWBV-UHFFFAOYSA-N 353.426 2.689 0 50 FFAA Cc1ccc(C(=O)NC2CCN(C(=O)c3c(O)cccc3F)CC2)s1 184357504 QGECJIUOWYTIQE-UHFFFAOYSA-N 362.426 2.936 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)c2)nn1 299769351 WXSIZYBXYJIAPV-INIZCTEOSA-N 363.421 2.895 0 50 FFAA O=C(c1nnc2n1CCCCC2)N1CCO[C@@H](c2ccc(Cl)cc2)C1 299792659 GIWGNOZTLKOAOM-OAHLLOKOSA-N 360.845 2.872 0 50 FFAA CC[C@@H](NC(=O)N(Cc1ccccc1)Cc1cccc(C)n1)C(=O)N(C)C 584899901 WRUQHXFLWVYCJS-LJQANCHMSA-N 368.481 2.969 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 269203434 SGOYRBJOEYECEX-GFCCVEGCSA-N 359.403 2.876 0 50 FFAA CCn1nc2c(c1C(=O)N1CCCN(CC3CCC3)CC1)C[C@H](C)O[C@@H]2C 1875314311 RCVPXNFFMNOYFQ-JKSUJKDBSA-N 374.529 2.873 0 50 FFAA C=CC(=O)NC1(CNC(=O)C(F)(F)c2cscn2)CCCCCC1 1875386683 WRSRWJFNVVIFBA-UHFFFAOYSA-N 357.426 2.746 0 50 FFAA Cn1ncc2c(C(=O)NC34CCC(C(=O)O)(CC3)CC4)cc(C3CC3)nc21 1875304933 ZXZUNQBHSCXELY-UHFFFAOYSA-N 368.437 2.753 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1 1875373534 DXCCMOWIUGSPMW-UHFFFAOYSA-N 351.406 2.916 0 50 FFAA C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875328051 WBSKEPVENOEJQM-CJNGLKHVSA-N 361.417 2.603 0 50 FFAA CCOc1ccc(CC(=O)N2CCC[C@]23CCC[S@](=O)(=NC)C3)cc1 1875395814 MTCJPSYYSDETGE-KBMIEXCESA-N 364.511 2.881 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CO3)cc1 1875373819 PMCDCHAZOAVWNW-UHFFFAOYSA-N 369.352 2.558 0 50 FFAA COC[C@H]1CCCN1S(=O)(=O)N(Cc1cccc(SC)c1)C(C)C 952980662 QPYVJWXXKCPGMO-MRXNPFEDSA-N 372.556 2.975 0 50 FFAA CN1C(=O)C[C@@H](CNc2nccc(C(F)(F)F)n2)[C@@H]1c1cccnc1 886040570 USGXELYJEXXBGA-FZMZJTMJSA-N 351.332 2.522 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)COc2cccc3ccccc23)C1 888077454 CBJUMMRTEQEBLS-NVXWUHKLSA-N 351.406 2.930 0 50 FFAA C[C@@H](O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C 169188764 LTXNDRMMTRTOJG-GDBMZVCRSA-N 364.442 2.625 0 50 FFAA O=C(O)c1ccccc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccnc1)C2 1565512222 KLTQDNRXNFHNRE-YJBOKZPZSA-N 365.433 2.516 0 50 FFAA COc1cccc2c1CCCCN2C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 274875178 BNUNAUYQOLKSQK-HNNXBMFYSA-N 363.479 2.579 0 50 FFAA CNC(=O)C1(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1 170621496 VVHRJCLXHJSLJH-UHFFFAOYSA-N 355.463 2.776 0 50 FFAA Cc1cnc(NC(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)s1 187223822 DYSLBVJDNXJTJD-SFHVURJKSA-N 360.483 2.552 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc4ccn(C)c34)CCO2)c1 190051356 POXGEXTXRLXKDF-INIZCTEOSA-N 353.426 2.616 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(C(=O)c2ccoc2)CC1 190436301 XCWXITASMLMRKE-ROUUACIJSA-N 372.469 2.611 0 50 FFAA Cc1nc(CNC(=O)c2cnn(C)c2Cc2ccccc2)ccc1[C@H](C)O 770684581 WJVRRGDSCCUBLU-HNNXBMFYSA-N 364.449 2.698 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2ccccc2N(C)C)C[C@@H]1C(=O)O 222364229 XWQBWDUOXUDQES-SJORKVTESA-N 368.433 2.702 0 50 FFAA O=C(O)c1cnc(N[C@H]2COCC[C@@H]2OCc2ccccn2)c(Cl)c1 1615752403 WACUELMPTDRURO-GJZGRUSLSA-N 363.801 2.614 0 50 FFAA CC(=O)N1CCN(C(=O)CC2c3ccccc3CCc3ccccc32)CC1 11933753 CELWFCRTUBCCPN-UHFFFAOYSA-N 362.473 2.998 0 50 FFAA CN(C[C@H]1CCCCO1)C(=O)c1cc(COc2cncc(Cl)c2)on1 12478712 GTGOUEBIPYIHSP-CYBMUJFWSA-N 365.817 2.943 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](N2CCCCC2)CC3)o1 14748468 DFFFEYBVOMBWHE-HNNXBMFYSA-N 356.470 2.595 0 50 FFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CCc2ccncc2)c1 14888951 BMOWKYZMCBJGFT-IBGZPJMESA-N 353.466 2.804 0 50 FFAA Fc1ccc(Cc2noc(-c3ccc(NC[C@@H]4COCCO4)nc3)n2)cc1 19792625 KCUFABSYHKEGDN-MRXNPFEDSA-N 370.384 2.689 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 19924052 QZQQKRRFDSMSKR-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CN1CCCCC1)CC2 1857668230 MDUVCMDDITVTPR-UHFFFAOYSA-N 352.482 2.500 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2ccccc2Cl)CC12CCOCC2 1857706197 DKVUBLDEHTZZKF-AWEZNQCLSA-N 351.830 2.612 0 50 FFAA CCCC[C@@H]1CN(Cc2cc(=O)n3cccc(O)c3n2)C[C@H](C(C)C)O1 1857716393 KKMVLIRMLVGTLF-SJLPKXTDSA-N 359.470 2.816 0 50 FFAA CCOc1ccc2nc(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)ccc2c1 1857731970 WDLSSGVJCAUVCL-UYWIDEMCSA-N 354.450 2.605 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)cc1O 212683476 RWGOJXCYOAQQTQ-APWZRJJASA-N 351.450 2.832 0 50 FFAA CCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O 225484639 IJWNUFTYMLJFEL-MSOLQXFVSA-N 368.433 2.917 0 50 FFAA C[C@H]1OCC[C@H]1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 333308459 NAEXATYWDSVVJG-BDJLRTHQSA-N 354.859 2.618 0 50 FFAA Cc1ccccc1C(=O)N1C[C@@H]2CN(C3CCCCC3)C[C@]2(C(=O)O)C1 248143097 GJDLKCXZYGDBQL-KKSFZXQISA-N 356.466 2.786 0 50 FFAA C[C@H](CC(=O)N1CCO[C@H](c2cccs2)C1)NC(=O)C1CCCC1 161525446 HNCWDDZCPIMMPB-HIFRSBDPSA-N 350.484 2.733 0 50 FFAA C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3oc2=O)C[C@H](C)O1 644472 HORCGJMRBJYTLF-UWVGGRQHSA-N 366.211 2.805 0 50 FFAA CCc1noc([C@H](C)S(=O)(=O)Cc2cc(Cl)cc3c2OCC3)n1 2325732474 JDHIHSMNVJDFHF-VIFPVBQESA-N 356.831 2.896 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1C[C@@H](CO)C[C@H]1CO 2325774453 FTIVWYXSFQGMBP-LPHOPBHVSA-N 364.445 2.510 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CCC3(CCC3)[C@@H]2O)c1Cc1ccccc1 2325782605 NIXIRVQSSFZQND-QFBILLFUSA-N 353.466 2.682 0 50 FFAA Cc1sc([C@H](C)N)nc1C(=O)Nc1cn(C)nc1O[C@H](C)C(C)C 2325786420 JWHZABUUUZIODO-VHSXEESVSA-N 351.476 2.880 0 50 FFAA Cc1ccccc1N1C[C@@H]([C@@H](C)NCCn2nnc3ccccc32)CC1=O 2325807156 FBCZQTGOTOHJLJ-SJORKVTESA-N 363.465 2.771 0 50 FFAA CO[C@@H](C(=O)Nc1cc(C(=O)O)ccc1N1CCCCC1)[C@H]1CCCO1 2325812784 GYFMGUICKPOAPL-IAGOWNOFSA-N 362.426 2.508 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@H]1NCCc2c1ccc(F)c2F 2325829446 KGPUGOPBPAQRDU-VLIAUNLRSA-N 371.431 2.937 0 50 FFAA CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O 1782223 ZWNMXXPGTHQGFN-QGZVFWFLSA-N 366.373 2.675 0 50 FFAA COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 2068437 LJCLMQHHKRBBHD-UHFFFAOYSA-N 359.353 2.979 0 50 FFAA Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCC(C)CC3)n2)cc1 2849459 HIXWAJZBAZBHLM-UHFFFAOYSA-N 368.485 2.997 0 50 FFAA Cc1cc(C(=O)N2CCC(OC(F)(F)F)CC2)ccc1N1CCOCC1 2356157012 AGZJIHJXZGMGGM-UHFFFAOYSA-N 372.387 2.973 0 50 FFAA CC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)Nc1ccc(C)cc1 2941604 YMBFWXOFQQHRGT-LJQANCHMSA-N 368.433 2.962 0 50 FFAA CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1 6730018 RDCLDNUTFWCRNO-UHFFFAOYSA-N 350.429 2.701 0 50 FFAA Cc1nc2ccc(C(=O)Nc3ccc(F)cc3NS(C)(=O)=O)cc2o1 225403048 FWDOKRGRFIITEE-UHFFFAOYSA-N 363.370 2.899 0 50 FFAA CCc1c(C(=O)NC[C@@H]2CCCCN2C2CC2)cnn1-c1ccccn1 225496010 SVZRBVGRVLHYFV-INIZCTEOSA-N 353.470 2.576 0 50 FFAA CCn1c(=O)c(C(=O)Nc2ccccc2C(=O)OC)c(O)c2ccccc21 100543097 BQROTTGPJNMYNV-UHFFFAOYSA-N 366.373 2.766 0 50 FFAA Cn1ncc2ccc(-c3noc([C@@H]4COCCN4CC(F)(F)F)n3)cc21 351217361 SVDSPFAXCLKXTF-ZDUSSCGKSA-N 367.331 2.559 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 115335885 VPZFKNSGCMVAQR-CQSZACIVSA-N 357.429 2.614 0 50 FFAA CC[C@@H](C(=O)N1CCC[C@H](C)C1)N(c1cccc(C)c1)S(C)(=O)=O 67623076 LXNQXDUFOVVOJJ-RDJZCZTQSA-N 352.500 2.798 0 50 FFAA CCCc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cnn1Cc1ccccc1 136116124 PJVVDJXNMPMXRO-INIZCTEOSA-N 355.438 2.821 0 50 FFAA C[C@]1(c2cccc(C(=O)N[C@@H]3CCCc4sccc43)c2)NC(=O)NC1=O 137403564 JEMQFFGXIVFUHR-AUUYWEPGSA-N 369.446 2.610 0 50 FFAA CNC(=O)[C@@H]1CCN(Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)C1 67690986 SYZHGMDIQBFQHF-CQSZACIVSA-N 373.453 2.544 0 50 FFAA CCCCc1cc(=O)[nH]c(-c2cccc(CN3CCNCC3(C)C)c2)n1 23430915 YGNHNRZXMMJVNR-UHFFFAOYSA-N 354.498 2.963 0 50 FFAA O=C(Cc1ccccc1O)N[C@@H](CO)c1ccccc1OC(F)(F)F 252509760 YUWMLBXPNJSYRQ-ZDUSSCGKSA-N 355.312 2.683 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 1398781 VFJZPUKXXPGRNK-UHFFFAOYSA-N 359.476 2.807 0 50 FFAA Cc1nc([C@H](O)COc2ccccc2C)n(-c2ccc3c(c2)OCO3)n1 65394889 JJTVAEPOLDPVCX-OAHLLOKOSA-N 353.378 2.725 0 50 FFAA Cc1cc(C)n(CCC(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)n1 12306710 RSIGHWWDIARBTN-OAHLLOKOSA-N 352.442 2.657 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 4987140 JEVYUEAEFJSPQI-GOEBONIOSA-N 374.828 2.943 0 50 FFAA CN(Cc1cccc2ccccc12)C(=O)[C@@H]1CC2(CCNCC2)CN1C 72410315 HHQYNXOEFFZVHW-FQEVSTJZSA-N 351.494 2.872 0 50 FFAA Cc1nn(C)c(C)c1OCC(=O)NOCc1ccc(C(F)(F)F)cc1 152133493 HFENWCOEXUXQOW-UHFFFAOYSA-N 357.332 2.683 0 50 FFAA CCc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 365667684 ASQGKYLAAUAONF-LSDHHAIUSA-N 359.430 2.584 0 50 FFAA O=C1N(CCOc2ccc(F)cc2)c2ccccc2NC12CCNCC2 77423482 BZUHHGBXBFCKHY-UHFFFAOYSA-N 355.413 2.785 0 50 FFAA Cc1noc(C2CC2)c1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F 154113538 QOSXIJAPYFPKIP-UHFFFAOYSA-N 362.336 2.921 0 50 FFAA CN(C)Cc1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 155611961 TYTULKVZVURPBA-UHFFFAOYSA-N 362.437 2.989 0 50 FFAA O=C([C@@H](O)c1ccc(F)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 72439207 WHQAZBUOYKWRIT-IBGZPJMESA-N 360.404 2.733 0 50 FFAA O=S(=O)(CCN1CCC[C@H](C[C@H]2CCOC2)C1)Cc1ccccc1 373065846 LEXDYOHGGROVDO-RTBURBONSA-N 351.512 2.740 0 50 FFAA COc1cc(F)c(CN2CCCC[C@H]2CCN2CCOCC2)cc1OC 77299679 CVHBSEXHWYJHCC-KRWDZBQOSA-N 366.477 2.920 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 215031324 GTFMYZFBCGBYBR-HNNXBMFYSA-N 372.494 2.891 0 50 FFAA CC[C@H](C(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1 175003172 DNNZDJZVQAYUQX-DLBZAZTESA-N 354.454 2.534 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 263368901 XFNMOHUPBMVESX-XMSQKQJNSA-N 365.429 2.956 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCCOC(C)C)C1 71613737 FULYNVWAVDMUFS-UHFFFAOYSA-N 369.469 2.670 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H]1COCC[C@@H]1OCc1ccccn1 222857816 LNPLFDQLMQFRBM-RTWAWAEBSA-N 366.461 2.677 0 50 FFAA c1cc2c(cc1N1CCC(NCc3cc4n(n3)CCCNC4)CC1)CCC2 82083106 PDGZBWOSKSQUNN-UHFFFAOYSA-N 365.525 2.624 0 50 FFAA COc1ccc(-n2nnc(C(=O)N3CCOc4cccc(F)c43)c2C)cc1 177762138 OJPSDUSQFQUACL-UHFFFAOYSA-N 368.368 2.763 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NCc1ccc(-n2ccnc2C)cc1 426429088 RLUGAXGYAWXLRY-UHFFFAOYSA-N 366.469 2.905 0 50 FFAA CCc1nn2c(nnc3c(=O)n(N(C)C)ccc32)c1-c1ccc(Cl)cc1 40395932 GGXMERSINZNQDM-UHFFFAOYSA-N 368.828 2.520 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)c1 222752316 IGSBRBIQSZOSBP-RTBURBONSA-N 358.413 2.858 0 50 FFAA COc1cncc(-c2ccc(C(=O)N3CCN(CCSC)CC3)cc2)c1 426470766 BFXFTSXFPXYVES-UHFFFAOYSA-N 371.506 2.878 0 50 FFAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1CCC[C@@]2(CCCO2)CC1 95515443 PVYOEZCVIUIHGS-HXUWFJFHSA-N 374.506 2.995 0 50 FFAA Cc1cc(CC(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)on1 95522814 YOVFZIGMARQRCZ-LJQANCHMSA-N 355.482 2.939 0 50 FFAA Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95353537 ZCLJUJIWQGTHCF-MRXNPFEDSA-N 354.406 2.710 0 50 FFAA O=C(c1cc(=O)nc2sccn12)N1CCC(Cc2ccc(F)cc2)CC1 92097117 NFFURNSOQXUGCD-UHFFFAOYSA-N 371.437 2.990 0 50 FFAA Cn1ccnc1-c1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1 426698250 MFMKOPAIZGFTNE-UHFFFAOYSA-N 360.461 2.875 0 50 FFAA Cc1nc2sccn2c1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91896390 WPKCYUKJIUQKCB-LJQANCHMSA-N 372.494 2.569 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3cccc([C@@H](C)O)n3)CC2)n1 96139344 VVZSQKNRUIHMCD-GFCCVEGCSA-N 367.375 2.579 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2N(C)C)C1 95357848 ZZSREIHSZXWZKK-KRWDZBQOSA-N 369.513 2.531 0 50 FFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1(N(C)C)CCOCC1 91474092 XTBYEQDBBHUVPZ-MRXNPFEDSA-N 356.466 2.834 0 50 FFAA CCCOc1c(CN2CCN([C@H]3CCNC3)CC2)cc(Cl)cc1OC 97743419 QFVCJTHBLOGKGH-KRWDZBQOSA-N 367.921 2.617 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(Cc1cccc(Cl)c1F)CCN2C 91848748 BYFCDOIMYWAQBS-IBGZPJMESA-N 367.896 2.998 0 50 FFAA CN1CCC[C@]2(CCN(Cc3sc(N4CCCC4)nc3Cl)C2)C1=O 91756463 JSOOYFBUHDCVCK-QGZVFWFLSA-N 368.934 2.841 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)CCn2cccn2)C1)c1ccccc1Cl 95529348 MRQSOXAURZCISB-HNNXBMFYSA-N 374.872 2.595 0 50 FFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCC(OCc2cccnc2)CC1 91651561 NAMYLXYYHTURAZ-UHFFFAOYSA-N 366.421 2.741 0 50 FFAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 95505988 MEDQXZCFIQJAAR-NEPJUHHUSA-N 363.405 2.827 0 50 FFAA CC(C)c1noc([C@H]2CCCN2C(=O)CSCCN2CCCC2)n1 91644678 SNKQMTDXGUEJCM-CQSZACIVSA-N 352.504 2.686 0 50 FFAA O=C(Cc1cn2ccsc2n1)NC[C@@H](c1cccnc1)N1CCCCC1 97637947 KRQURKWHSTZNCB-KRWDZBQOSA-N 369.494 2.677 0 50 FFAA Cc1cnn(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)c1 91519027 WSHMVRWETGBJHO-FQEVSTJZSA-N 355.438 2.792 0 50 FFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(N)=O 252506352 VZYVNKPEMGXFGA-UHFFFAOYSA-N 362.451 2.892 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccc(F)cc2)CNC3=O)c1 263615497 CSQQKXAFODDZNH-LJQANCHMSA-N 366.396 2.730 0 50 FFAA C[C@@H](NC(=O)CN1CCCCCCC1)c1ccc(S(C)(=O)=O)cc1 534646663 GMEFWFCYQFRCLJ-OAHLLOKOSA-N 352.500 2.533 0 50 FFAA COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c(OC)co2)c(OC)c1 281141726 FYUGVJMPTNGURB-CQSZACIVSA-N 359.378 2.643 0 50 FFAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cnc(-c2cccnc2)nc1 95353651 URVKSGWQOYZOCS-IBGZPJMESA-N 373.460 2.758 0 50 FFAA COc1ccc2[nH]c(CNC(=O)C3CCN(C4CCOCC4)CC3)cc2c1 299773857 GIOYGXFLANTWGE-UHFFFAOYSA-N 371.481 2.684 0 50 FFAA CN1CCOC[C@H](CNC(=O)Nc2ccccc2CCc2ccccn2)C1 299785892 KXLGIASSRFBDBJ-QGZVFWFLSA-N 368.481 2.567 0 50 FFAA CC[C@@H](C(=O)N(C)CCc1noc(C(C)C)n1)N1Cc2ccccc2C1=O 299768314 MBZRWGKTROQGSH-INIZCTEOSA-N 370.453 2.629 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)NCCCc2c(C)noc2C)c1 299801276 XTPHHWDXKSFCIJ-UHFFFAOYSA-N 374.441 2.939 0 50 FFAA COCc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)o1 299765828 BWRVNGLWUOEGOJ-NRFANRHFSA-N 374.481 2.590 0 50 FFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 827758163 OPVYYKFQCDMTMQ-AWEZNQCLSA-N 372.469 2.534 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(OC(F)F)cc1 825698941 KOUCPCXGRBBACM-CYBMUJFWSA-N 364.348 2.916 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)Nc1cccc(NC(=O)CN(C)C)c1 823676207 UZBVWLGBBVLJRV-AWEZNQCLSA-N 357.458 2.706 0 50 FFAA COc1ccc2[nH]c(CNS(=O)(=O)c3ccc4oc(O)nc4c3)cc2c1 670436150 ULVCTDJLCKLZSX-UHFFFAOYSA-N 373.390 2.502 0 50 FFAA O=C(NCCc1coc(-c2ccccc2)n1)c1ccccc1-n1cncn1 1875315592 AKFBZRLSYDLGQY-UHFFFAOYSA-N 359.389 2.895 0 50 FFAA Cc1nc(CN2CCC[C@@](O)(c3ccccc3)C2)c(Br)[nH]1 1875292733 RDISLLWXHFKHGK-INIZCTEOSA-N 350.260 2.964 0 50 FFAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCN2C(=O)OC[C@H]2C1 952983066 NVIGQWVGMXQPSX-MRXNPFEDSA-N 369.446 2.651 0 50 FFAA COc1ccc([C@@H](NC(=O)N2CC3(CCOC3)C2)C(F)(F)F)cc1F 886071790 JGIVOHOVIZTMPT-CYBMUJFWSA-N 362.323 2.870 0 50 FFAA COCc1cc(N2CCN(Cc3c(C)noc3C)CC2)nc(C(C)(C)C)n1 301653475 UJJCXAQSOMLUPA-UHFFFAOYSA-N 373.501 2.848 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cnc(N4CCCC4)s3)C2)N1CC1CCC1 1565527990 OIVWLKFWXXQBMU-SJORKVTESA-N 374.554 2.966 0 50 FFAA O=S(=O)(Cc1nc(-c2cccnc2OCC(F)F)no1)C1CCCC1 273806920 AXHJPLWAJQKQNM-UHFFFAOYSA-N 373.381 2.633 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(-n2cc(Br)cn2)cc1 40456670 MXLGFYKOTIFKLQ-UHFFFAOYSA-N 358.261 2.665 0 50 FFAA in-vitro C[C@@]1(c2ccco2)NC(=O)N(Cc2ccn(-c3ccc(F)cc3F)n2)C1=O 192137659 SXGZXFWHOVVABU-SFHVURJKSA-N 372.331 2.711 0 50 FFAA Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 194828906 ANERAGSMPDEVOQ-UHFFFAOYSA-N 374.462 2.789 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@H](N)C2)ccc1OCc1cccnc1 195118254 VBJQIKASDGMEEA-KRWDZBQOSA-N 355.438 2.623 0 50 FFAA O=C(O)C[C@@H]1CCCN(C(=O)c2sc(N3CCCC3)nc2Cl)C1 769528842 WNYNRKCJKYNRSL-JTQLQIEISA-N 357.863 2.724 0 50 FFAA COc1ccc(NC(C)(C)C(=O)N2CCN(CC(F)(F)F)CC2)cc1 1506425658 QNSIEMYHLRNIFV-UHFFFAOYSA-N 359.392 2.592 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@@H]1C(=O)O 213167145 RXAAXNGLSFRBLL-SJORKVTESA-N 353.374 2.634 0 50 FFAA CC(C)CNc1ccccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704340130 VJMNNCXGSQFTNF-OXQOHEQNSA-N 353.466 2.825 0 50 FFAA Cc1n[nH]c(C)c1CN1CCCN(C(=O)CCc2ccccc2F)CC1 1772811370 TYDXSHQJGMAZNN-UHFFFAOYSA-N 358.461 2.833 0 50 FFAA CCOC(=O)N1CCC(Nc2nnc(CSc3ccncc3)o2)CC1 1772704172 KOZLPAMGUNLJTA-UHFFFAOYSA-N 363.443 2.790 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(N2CCOCC2)no1 1772805671 PAHLMSFSMGEAIU-UHFFFAOYSA-N 369.343 2.802 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@]12CCN(c1cnccn1)C2 12076468 IJDDVDXZFYPHPK-LJQANCHMSA-N 358.392 2.774 0 50 FFAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)o1 12711130 SSFVONAOFJVPDO-SFHVURJKSA-N 354.450 2.728 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cnsn2)C1 15074808 STMSRLWZLVLAPY-LJQANCHMSA-N 373.478 2.875 0 50 FFAA CC(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)[nH]n1 19744756 AWNPMQVXADRBLU-OAHLLOKOSA-N 360.845 2.660 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCC[C@H](OC)C3)nc2)n1 19782071 IOICQXQBFKNPLQ-HNNXBMFYSA-N 360.483 2.646 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857677612 JQRHSFJGWMFUHT-LJQANCHMSA-N 371.824 2.625 0 50 FFAA C[C@H]1CN(C(=O)c2cccc3c2CCC3=O)CCN1c1ccc(F)cn1 1857677762 CGAFRVYSQSDORI-ZDUSSCGKSA-N 353.397 2.701 0 50 FFAA CN1CCCC[C@@H]1CC(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857681364 AZTMUWXOQJMSPY-GOSISDBHSA-N 366.509 2.889 0 50 FFAA CCCC[C@@H]1CN(C(=O)CCc2c(C)nc(O)nc2C)C[C@H](C2CC2)O1 1875247392 LHYVYZVOOSTDPW-SJLPKXTDSA-N 361.486 2.928 0 50 FFAA COc1cccc2c1[C@@H](C(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CC2 431994750 XDHCPOIHLJVJNP-KRWDZBQOSA-N 358.482 2.830 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1OC 134842205 DVQIYDCCBVQRNG-ZDUSSCGKSA-N 361.829 2.761 0 50 FFAA C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccc2c(c1)CC(=O)N2C 772022113 KSHWERCVHAYRRX-SNVBAGLBSA-N 361.348 2.693 0 50 FFAA CC[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCN1CC(F)F 153525317 BVXFXLGNPHTTKI-LBPRGKRZSA-N 370.831 2.738 0 50 FFAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc3oc(O)nc3c2)n1 376948702 XCYXLGMLULQCCR-CQSZACIVSA-N 352.394 2.954 0 50 FFAA Cn1cc(-c2nc(C(=O)N3CCO[C@@H](c4cccs4)C3)cs2)cn1 161563979 UZHMVCSMWSDTKS-CYBMUJFWSA-N 360.464 2.819 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 853114 NEYXEKWNNJKINR-LJQANCHMSA-N 368.414 2.748 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2[nH]nc3c2CCCC3)s1 23214236 NSUDAJHAJCPRSI-OAHLLOKOSA-N 372.494 2.745 0 50 FFAA C[C@H](Nc1ncnc(N)c1Br)[C@@H]1CCCN(C2CCC2)C1 2325840061 NMMHCHKWERCUCP-WDEREUQCSA-N 354.296 2.886 0 50 FFAA CC(=O)N[C@@]12CCOC[C@H]1CN(C(=O)c1ccc(C3=CCCC3)cc1)C2 2325848284 CTWVKVKLGWOOLE-TZIWHRDSSA-N 354.450 2.621 0 50 FFAA CCOC(=O)CC[C@@]1(C(=O)OC)C(=O)CCCCCCC[C@H]1C(=O)OC 640768 FMVVKMLLCZQTBI-LIRRHRJNSA-N 370.442 2.592 0 50 FFAA O=C(Nc1ccccn1)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 794590 YWBYNQIDGROGDX-HOTGVXAUSA-N 365.389 2.939 0 50 FFAA CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 956512 JUKLXJXYAATVRF-UHFFFAOYSA-N 360.439 2.799 0 50 FFAA COc1cc([C@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1608024 IZBPVUYUOQFKQB-BLVKFPJESA-N 360.362 2.761 0 50 FFAA CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cnccn1 2422172 IKGHIWMJEXOIMK-UHFFFAOYSA-N 354.439 2.794 0 50 FFAA CCc1nc(C)c(CN2CCC[C@@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)[nH]1 2356137377 LKCWVUFUWQHNFQ-FIKGOQFSSA-N 374.529 2.541 0 50 FFAA COc1ccc(CN2CCC3(CC2)OCCc2cc(C(=O)O)sc23)cn1 2356144953 TYVXZPRTWPYFTB-UHFFFAOYSA-N 374.462 2.914 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356149056 HTSSJMCEYAERML-HXUWFJFHSA-N 353.422 2.877 0 50 FFAA O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C1=NCCN1 4619725 PWZORNVPDJFHIK-UHFFFAOYSA-N 355.250 2.981 0 50 FFAA COc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 6697955 FRNNVGRXERDIRK-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 225436547 XFUCACKIMWFIBN-GXSJLCMTSA-N 369.336 2.923 0 50 FFAA COc1ccc(CN2CCN(Cc3ccsc3)C[C@H]2CCO)c(F)c1 106731589 FJAMJUPPLOEINA-QGZVFWFLSA-N 364.486 2.965 0 50 FFAA CN(C)c1nc2c(s1)[C@@H](c1ccc(Cn3cccn3)cc1)CC(=O)NC2 65508822 LWOVOAFITPLKFC-OAHLLOKOSA-N 367.478 2.606 0 50 FFAA COc1c(-c2noc(C[C@H]3CCCS(=O)(=O)C3)n2)oc2ccccc12 349710859 FMJMYJUISVZGNR-LLVKDONJSA-N 362.407 2.859 0 50 FFAA COc1cc(C)ccc1S(=O)(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1 67491377 VQKHKZXNDPCNPG-MAUKXSAKSA-N 355.500 2.811 0 50 FFAA COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCCC3)c2)cc1 67338935 UAGHRSLIOQFAFQ-UHFFFAOYSA-N 374.462 2.756 0 50 FFAA Cc1cccn2c(=O)c(CN(Cc3cnn(C)c3)C3CC3)c(Cl)nc12 67909527 PRADUYIZIJEIMC-UHFFFAOYSA-N 357.845 2.554 0 50 FFAA COc1ccnc(N(C)C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 425614278 ZIEURRVEKAIIOY-LPHOPBHVSA-N 353.422 2.663 0 50 FFAA COCc1nnc(NC(=O)CN(C)[C@H](C)c2cc3ccccc3[nH]2)s1 67603783 AYONFWOZJBIYEQ-LLVKDONJSA-N 359.455 2.797 0 50 FFAA O=C(NCc1nc(-c2cccnc2)no1)c1ccc([C@H]2CCCN2)s1 20907848 YJZZEHMJYMCDEM-GFCCVEGCSA-N 355.423 2.548 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(F)ccc3F)CC2)cc1F 427236964 BCYYPOOPWVUGCJ-UHFFFAOYSA-N 370.396 2.923 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Br)cc1Cl 131798763 BOFOGVQMXOPFOE-WCBMZHEXSA-N 367.696 2.603 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1cccc2c1OCO2 65489304 QTBGRDKBTFYKDB-LBPRGKRZSA-N 366.373 2.635 0 50 FFAA CN(C)CCNCCOCCOc1ccc(OCc2ccccc2)cc1 20418848 WRRVSFFOFVIDDP-UHFFFAOYSA-N 358.482 2.812 0 50 FFAA O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CCn2ccnc2C1 328619808 GGFOLJLDSKCMSF-PPOCWRSBSA-N 351.859 2.689 0 50 FFAA Cc1cc(N2C(=O)[C@H](C3CCOCC3)N=C2O)cnc1N1CCCC[C@@H]1C 329284332 LLKYPUVQPBZWSI-YOEHRIQHSA-N 372.469 2.825 0 50 FFAA c1ccc2c(-c3nn4c(CN5CCOCC5)nnc4s3)cccc2c1 36357581 RAULFJSALWTOPE-UHFFFAOYSA-N 351.435 2.838 0 50 FFAA Cc1c(F)cccc1NC(=O)NCCNc1cc(-n2ccnc2C)ncn1 35598144 XITFDMSLTZQSCV-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA COc1ccc(N2CCN(Cc3noc(CC(C)C)n3)[C@@H](C)C2=O)cc1 77471640 HYXYUOOEUKIGKR-AWEZNQCLSA-N 358.442 2.514 0 50 FFAA CCc1nc2c(N3CCN(Cc4cc(C)cc(C)c4)C(=O)C3)ncnc2o1 77391988 WWSKNTIJGXFRAW-UHFFFAOYSA-N 365.437 2.646 0 50 FFAA COCc1ncc(CN2CCN(c3ccccc3OC)C(C)(C)C2)cn1 72171406 RUIXYBSMKSNIQU-UHFFFAOYSA-N 356.470 2.732 0 50 FFAA O=C(c1ccc(CO)cc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71682227 BPMHMXKOCDUAHD-BHDDXSALSA-N 362.473 2.881 0 50 FFAA CCN1CCO[C@@H](CNC(=O)c2ccncc2Cl)[C@@H]1c1ccccc1 284848700 OFVKZKDNIGJMEJ-ROUUACIJSA-N 359.857 2.927 0 50 FFAA N[C@@H]1CCCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 158026068 PEOVDJTXDRHKCT-SNVBAGLBSA-N 350.772 2.506 0 50 FFAA CC(C)(C)NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 33088530 FTDBWWOYINCOKQ-UHFFFAOYSA-N 353.304 2.931 0 50 FFAA COc1ccc2c(c1NC(=O)c1ccnc(O[C@H]3CCOC3)c1)CCC2 240333287 FCTPYIVBZHNRSA-HNNXBMFYSA-N 354.406 2.999 0 50 FFAA CNS(=O)(=O)c1ccc(CN2CCO[C@@H](CC3CCCCC3)C2)cc1 71712067 IXQGBTFCIHIGTO-SFHVURJKSA-N 366.527 2.766 0 50 FFAA CCn1nnc(C)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C 456241363 XWRQYJHOYSOHDB-CYBMUJFWSA-N 352.479 2.873 0 50 FFAA COc1ccccc1[C@H]1CN(c2nccnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72122615 PBJZQZHVZBIBGN-MISYRCLQSA-N 350.466 2.860 0 50 FFAA COc1cccc(-n2cc(-c3ccnc(N[C@@H](CO)C(C)C)n3)cn2)c1 48155955 HYZOZAVEKPULKZ-SFHVURJKSA-N 353.426 2.767 0 50 FFAA Cc1nc2c(c(C)c1CC(=O)N1Cc3cccc(Cl)c3C1)c(=O)[nH]n2C 288171236 GNJWBQNKVZLFAM-UHFFFAOYSA-N 370.840 2.617 0 50 FFAA Cn1ccnc1COc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 133280271 IKJYBGVPSICLSW-OAHLLOKOSA-N 351.410 2.781 0 50 FFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3)c(Br)cc21 223248153 JWCYBURMRGMVQR-UHFFFAOYSA-N 360.211 2.892 0 50 FFAA NC(=O)C1CCN(C(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)CC1 426521526 UWOYEQRFOHRVBS-KRWDZBQOSA-N 373.428 2.848 0 50 FFAA Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CCN(C(=O)C2CCC2)CC1 426624752 JWEXCRPXMPEKAB-QGZVFWFLSA-N 373.497 2.725 0 50 FFAA CN[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 178607099 QNNMCZUDWNKGJD-NSHDSACASA-N 370.350 2.854 0 50 FFAA Cc1nc(N)ccc1-c1ccc(C(=O)N(C)CCN2CCCCC2=O)cc1 426370183 WDHBTEBZLPPTRR-UHFFFAOYSA-N 366.465 2.724 0 50 FFAA O=C(NC(c1ccccc1)c1ccccc1)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426551994 OMFWRUOFXOZWQE-YRPNKDGESA-N 366.461 2.549 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 95391052 HQJRTYBSXPFBKT-UHFFFAOYSA-N 350.426 2.513 0 50 FFAA CCN(CC)c1ccc(-c2ccc(C(=O)N3CCO[C@H](CN)C3)cc2)cc1 426596463 IKNWFDFBLDYCBR-OAQYLSRUSA-N 367.493 3.000 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 91410305 ZTRFGZNOKUAXAK-UHFFFAOYSA-N 364.511 2.833 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2c2nc(C)no2)cn1 92061745 SKJPKWUGBPANOP-MRXNPFEDSA-N 367.409 2.940 0 50 FFAA CC(C)c1nnc([C@@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)o1 96150530 URYLLXYMZPZUSC-GFCCVEGCSA-N 372.429 2.948 0 50 FFAA COc1ccc(CCC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 95528883 IDJYIOBNCNXEIN-DENIHFKCSA-N 367.445 2.625 0 50 FFAA Cc1nc2cc(CNC(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)ccc2n1C 91745932 HSLKHOOVWSUCBO-OAHLLOKOSA-N 366.396 2.763 0 50 FFAA CC1(C)CN(Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)CCO1 95497318 QIJUPZOZJJFOSR-LJQANCHMSA-N 362.514 2.523 0 50 FFAA NCc1nc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 238022567 OGWHZAJMLUWWMH-INIZCTEOSA-N 365.886 2.841 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1cc(-c3ccccn3)no1)C2 91665155 SFPUJRWZXCQNBY-CQSZACIVSA-N 365.389 2.613 0 50 FFAA Cc1cc(C)nc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)n1 91746072 SVCIKPLROQATNS-UHFFFAOYSA-N 365.481 2.898 0 50 FFAA O=C(O)[C@@H]1CN(CCC(F)(F)C(F)F)C[C@H]1c1ccc2c(c1)OCO2 92037201 UQAMKSZQDCEMNL-WDEREUQCSA-N 363.307 2.806 0 50 FFAA CNc1nc(CN2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cs1 244787817 QEDWLJLFCDMDDW-UHFFFAOYSA-N 374.510 2.722 0 50 FFAA CC[C@@H]1C[C@@H](C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CCO1 183509434 PJEKMUODZUDJSA-FUHWJXTLSA-N 362.445 2.705 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1occc1C)CC2 299384654 IBEJRIBDUONIMC-AWEZNQCLSA-N 359.378 2.820 0 50 FFAA CCCn1ccnc1CNC(=O)N1CCN(c2ccccc2OCC)CC1 534651779 BKPVBROEEUWYMB-UHFFFAOYSA-N 371.485 2.724 0 50 FFAA COc1cccc(-c2cccc(C(=O)NC[C@@]3(O)CCCNCC3)c2)c1 72171150 BXIYIZYPANZNIY-OAQYLSRUSA-N 354.450 2.597 0 50 FFAA Cc1cc(F)ccc1N1CCC(NCc2cc3n(n2)CCCNC3)CC1 82138839 IWWAMRLLZOFXIW-UHFFFAOYSA-N 357.477 2.583 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cc(F)c(F)cc1Cl 299803092 WJCCAZFTEINIMW-LBPRGKRZSA-N 358.816 2.991 0 50 FFAA CCn1ncnc1CN1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299783181 FJNLBULLPPAVPR-ZWOKBUDYSA-N 354.454 2.769 0 50 FFAA CCNC(=O)c1cccc(NC(=O)NCC[C@H]2COc3ccccc3O2)c1 299777619 NFFJRXSEOXYQLW-INIZCTEOSA-N 369.421 2.788 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(Cc1cc(CN3CCCCC3)cs1)C2 828571146 OXNDFWJUBBAHAJ-UHFFFAOYSA-N 374.510 2.724 0 50 FFAA COc1ncnc(C)c1-c1cccc(C(=O)NC2(CO)CCCCC2)c1 584900399 APCCYAXCPVADSV-UHFFFAOYSA-N 355.438 2.886 0 50 FFAA O=C(c1ccc(-c2ccncc2)nc1O)N1CCC(OC(F)(F)F)CC1 1875271094 GVTDZCGYWBTQLU-UHFFFAOYSA-N 367.327 2.990 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)c2nc(C(C)C)oc2C)c(F)c1 1875385887 DTPYBRXETNSIDH-UHFFFAOYSA-N 359.401 2.978 0 50 FFAA O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1cccc2nc(O)[nH]c12 1875337146 OKWSOVNDWCFZTA-UHFFFAOYSA-N 368.324 2.738 0 50 FFAA C=CC(=O)NCCC(=O)N1Cc2c(ccc(F)c2Br)C[C@H]1C 1875367549 MXGXDBPLXJDQEH-SNVBAGLBSA-N 369.234 2.554 0 50 FFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)N(C)[C@H](C)c1cccs1 871821095 BRNLXLUZKCFDFB-LLVKDONJSA-N 369.464 2.766 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](OCc3ccccn3)C2)s1 952982115 OUHIFRLQAXNESO-OAHLLOKOSA-N 352.481 2.821 0 50 FFAA CCN1CCO[C@@H](CNCc2cccc3ccoc23)[C@@H]1c1nccn1C 886082007 SGRXEIJMDKDCST-ZWKOTPCHSA-N 354.454 2.718 0 50 FFAA C[C@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 271227923 HUMSDJCPBDFTRA-GOEBONIOSA-N 351.516 2.827 0 50 FFAA Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)[nH]1 185837017 AGEFMANJHKSQBO-AWEZNQCLSA-N 361.467 2.662 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)Cc2cc(F)ccc2F)o1 275373033 OCFYWGGDTFUJLE-CQSZACIVSA-N 351.353 2.614 0 50 FFAA O=C(N[C@@H](c1ccccc1)C1CC1)C(=O)N1CCN(c2ccccc2)CC1 170608114 VFBZTOUBQVQCJW-FQEVSTJZSA-N 363.461 2.603 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1C[C@]12CCCc1ccccc12 170644199 AYCIHESYUKHPHY-KXBFYZLASA-N 354.479 2.812 0 50 FFAA CC(C)[C@H]1CC[C@H](C)CCN1C(=O)Cc1csc(NS(C)(=O)=O)n1 170629878 SDNVLKRQEPLOKI-GXTWGEPZSA-N 373.544 2.730 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 279257327 IKRUUYJEDHSFDZ-FZMZJTMJSA-N 372.400 2.518 0 50 FFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N(C)c1ccccc1 221998469 ADROYPANZHFIBS-XJKVJRSZSA-N 357.450 2.912 0 50 FFAA CCOc1ccc(NC(=O)N2CCN(c3nccc(C(C)C)n3)CC2)cn1 187507101 TTZNKBOXFWXUGE-UHFFFAOYSA-N 370.457 2.748 0 50 FFAA Cc1c(C(=O)N2CCN[C@H](C)C2)cnn1-c1cccc(C(F)(F)F)c1 188405908 AHNADAXBMRFLGE-LLVKDONJSA-N 352.360 2.633 0 50 FFAA CC(C)(C)NC(=O)c1cccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 194424931 OJVBWJFNORZCNO-ZWKOTPCHSA-N 367.449 2.995 0 50 FFAA Cn1nccc1CN1CCCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 1529195948 SAXLROHSFNXQCX-SFHVURJKSA-N 352.482 2.575 0 50 FFAA CCn1ncc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)c1C 1529197035 JZQSDILTWLWLAO-UZLBHIALSA-N 364.449 2.747 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)[C@@H]2Cc3ccccc3C(=O)N2)c1 1529187531 URFBTCMVYFQBGO-IBGZPJMESA-N 374.444 2.841 0 50 FFAA CCc1[nH]nc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1529111368 WBIXDLRTQOFUDP-BEFAXECRSA-N 364.449 2.504 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3ccccc3N(C)C)C[C@@H]2C(=O)O)c1 212068457 QKJVUWQKRWLIRR-MSOLQXFVSA-N 368.433 2.702 0 50 FFAA O=C(CCC1CC1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccn2)C1 215184954 CYMBUOKZXXOWMT-MJGOQNOKSA-N 355.482 2.654 0 50 FFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1 1704332531 ZTTUWRKQZNAPSU-UHFFFAOYSA-N 355.269 2.849 0 50 FFAA COC(=O)c1ccc(OC(=O)COC(=O)c2cc3ccccc3o2)cc1 5059255 NYTABXASFPAZEO-UHFFFAOYSA-N 354.314 2.982 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697627 KPVCDMABUNJJQE-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA O=C(CCC(F)(F)F)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12026216 GSYJQYJJQXNEPI-CYBMUJFWSA-N 362.779 2.942 0 50 FFAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)Cn1cccn1 12373455 PSTAVSHBSZLEPS-AWEZNQCLSA-N 356.474 2.628 0 50 FFAA Cc1ccccc1OCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 12404480 JARHGHIABFXDGE-SFHVURJKSA-N 368.433 2.921 0 50 FFAA COCCCNc1nc2nonc2nc1NCc1ccc(Cl)s1 12440892 QBTXCYZOXZVGHO-UHFFFAOYSA-N 354.823 2.788 0 50 FFAA O=C(c1cnccn1)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12595140 ZEPGQKOSQKTPAR-FQEVSTJZSA-N 372.419 2.883 0 50 FFAA CN(CCC1CCOCC1)C(=O)[C@H]1CCC(=O)N(CCc2ccccc2)C1 14970880 TUNKOQPDLOVQLU-FQEVSTJZSA-N 372.509 2.743 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)NCCN1CCOCC1)c1ccccc1 19773108 QCMBKCTWDIZPGS-NRFANRHFSA-N 352.478 2.965 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)CC2)cc2c1OCO2 19781920 MRBZKDADXZDJSA-UHFFFAOYSA-N 358.413 2.881 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cncc(F)c1)CC2 1857667491 BHGIVONEKHYUTK-UHFFFAOYSA-N 350.397 2.862 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)Cc1cccc(O)c1)CC2 1857696761 BLVQXSXBRJGXAO-UHFFFAOYSA-N 361.445 2.963 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2ccc3c(C)cc(C)nc3c2)CC[C@@H]1O 1857722492 WQJFSNHNAKBDTE-FPOVZHCZSA-N 356.466 2.837 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CC[C@H](c4ccccc4)N3)CC2)nc1 1857726318 LPYCYDNGPKVCQY-RTBURBONSA-N 365.477 2.693 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cc(C)on3)[C@H]3CC[C@]2(C1)O3 1857739439 JYVDGNGAWLAISU-IXIUHKBRSA-N 359.470 2.549 0 50 FFAA COc1ccc(Br)cc1CCC(=O)NC1(C(=O)O)CCC1 237122403 XEUUOBIVVVJIJC-UHFFFAOYSA-N 356.216 2.514 0 50 FFAA O[C@]1(Cc2nc(C3CC3)no2)CCCN(Cc2cccc3cc[nH]c23)C1 818189726 VVCSLCNCFJKUHB-FQEVSTJZSA-N 352.438 2.998 0 50 FFAA Cc1cccnc1C[C@H]1NC(=O)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O 2325776853 FKOYZLGSZGLBGU-QZTJIDSGSA-N 351.450 2.586 0 50 FFAA Cc1nc2c(cc1C(=O)N1CCCN[C@@H](c3ccccc3)C1)c(C)nn2C 2325783369 SZKSMYRASWEEPL-LJQANCHMSA-N 363.465 2.762 0 50 FFAA O=C1CN(CCCCn2nnc(-c3ccsc3)n2)c2ccccc2N1 2325852439 FYZMEIFMPCFEEM-UHFFFAOYSA-N 354.439 2.641 0 50 FFAA C[C@H]1CN(CCCc2cccc(OC(F)(F)F)c2)CCS1(=O)=O 2325868025 MHUPNFRLQISPDI-LBPRGKRZSA-N 351.390 2.637 0 50 FFAA O=C(NC[C@@H](CO)c1ccc(F)cc1)c1cnn(-c2ccc(F)cc2)c1 1451467389 PJCKBAITPJFMAD-HNNXBMFYSA-N 357.360 2.656 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1 758783 AKXWJITZFFEMEX-SECBINFHSA-N 358.419 2.953 0 50 FFAA O=C(CSc1nnc2ccccn12)Nc1nc(-c2ccccc2)ns1 1100437 DFWOSTMNIRHPIF-UHFFFAOYSA-N 368.447 2.979 0 50 FFAA Cc1cc(C)nc(NC(=O)c2ccccc2I)n1 1179681 IHCLMQWGAPEFBF-UHFFFAOYSA-N 353.163 2.950 0 50 FFAA Cc1cccc(N(CC(N)=O)[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 1318054 UISOWHYXTHBNFI-QGZVFWFLSA-N 355.419 2.513 0 50 FFAA COc1cc([C@@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1608023 IZBPVUYUOQFKQB-HXPMCKFVSA-N 360.362 2.761 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C[C@H]2CCCNC2)CC1 2356151326 DDUDRBYIDIBOQP-HNNXBMFYSA-N 358.530 2.759 0 50 FFAA O=C(N[C@]1(C(=O)O)CC[C@H](O)C1)OCC1c2ccccc2-c2ccccc21 2583467 FPTJRPYTKCYJLR-YEJXKQKISA-N 367.401 2.893 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)CCc1nc(-c2cccnc2)no1 55152993 OEYNJAUWKNHUEU-UHFFFAOYSA-N 371.485 2.789 0 50 FFAA O=C1CC[C@@]2(C(=O)O)N1c1ccccc1-c1nc(-c3cccc(F)c3)nn12 225401764 TWPVTAJDSCAFHV-LJQANCHMSA-N 364.336 2.629 0 50 FFAA Cn1c(-c2nc(-c3ncccc3-n3cccn3)no2)cc2ccccc2c1=O 350296820 DBFBAARIEHJPBP-UHFFFAOYSA-N 370.372 2.836 0 50 FFAA COc1ccc(Cc2nnc3sc(-c4ccncc4)nn23)cc1OC 9054178 XFYOTPVQTOCXBK-UHFFFAOYSA-N 353.407 2.856 0 50 FFAA CSc1nnc(CC2CCN(c3cc(NC(C)C)ncn3)CC2)n1C 55343549 MQPLUJUNMOKSDL-UHFFFAOYSA-N 361.519 2.606 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cnnn2-c2ccccc2)n1 65371996 KGGVLPJOHCKQCP-AWEZNQCLSA-N 352.398 2.751 0 50 FFAA c1cncc([C@H](CN2CCc3[nH]c4ccccc4c3C2)N2CCOCC2)c1 20271483 FROFNLYGKNBIQB-QFIPXVFZSA-N 362.477 2.995 0 50 FFAA Cc1cnc(CNS(=O)(=O)c2ccc(-c3c(C)noc3C)s2)cn1 1506418244 GNXDEVPEWHCPCV-UHFFFAOYSA-N 364.452 2.597 0 50 FFAA O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898281 ANIQJLVWUXQGLE-UHFFFAOYSA-N 358.463 2.867 0 50 FFAA Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CCOc4ccccc43)CC2)c1 139654377 XMKJWJMCAQQPEF-KRWDZBQOSA-N 366.465 2.788 0 50 FFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1cn(C)c2ccc(C)cc2c1=O 65385777 MFWMKSTXBGVVMO-OAHLLOKOSA-N 368.433 2.853 0 50 FFAA CC(C)c1ncc(Cl)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)n1 236625322 JMMROEJKQUBQTR-AWEZNQCLSA-N 359.813 2.905 0 50 FFAA c1cc2occc2c(N2CCN(Cc3ccc(-n4cncn4)cc3)CC2)n1 65425974 GRDWVSZJSORCDA-UHFFFAOYSA-N 360.421 2.731 0 50 FFAA c1ccc(-n2cc(CN3CCc4[nH]cnc4[C@H]3c3cccnc3)nn2)cc1 215594184 VZRVZGXRSUNDQN-HXUWFJFHSA-N 357.421 2.533 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1O 72133413 DKQQZLGKHJEPGZ-NVXWUHKLSA-N 368.462 2.628 0 50 FFAA CCn1c(C)nnc1CN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 253623514 XUVASEQJHLGRPF-WFASDCNBSA-N 354.376 2.933 0 50 FFAA Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)cc(Cl)c1Br 283309865 ALZFTSUMQDOYHK-QMMMGPOBSA-N 368.680 2.574 0 50 FFAA O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCCC[C@@H]1CCO 12300299 QABFFCFGWLUORF-QGZVFWFLSA-N 352.438 2.790 0 50 FFAA CN1C[C@@]2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)OC1=O 72149750 PSQCWTMXRKCMMZ-OAQYLSRUSA-N 350.418 2.949 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nn1C 215146259 YOQWTDSPKREVMN-UHFFFAOYSA-N 373.844 2.502 0 50 FFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](CC(=O)O)C1 237489308 GDRYTECYSNFNTB-BXUZGUMPSA-N 359.344 2.586 0 50 FFAA COCc1nc(N2CCC[C@H](Oc3ccc(F)cc3)C2)c2cnn(C)c2n1 72161761 VVXDMVIOGRHVJV-HNNXBMFYSA-N 371.416 2.697 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)Cc3cnc4ccccn34)C2)c1 72139123 ZUKTTXYWPDRRDA-MRXNPFEDSA-N 363.417 2.666 0 50 FFAA O=C(NC1CCCCCC1)C1CCN(c2cc(C3CC(O)C3)ncn2)CC1 219123552 HYAZVILKQNUFKD-UHFFFAOYSA-N 372.513 2.770 0 50 FFAA O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCC(c2ccncc2)CC1 219457465 BNBBTLOCBYLOHJ-KRWDZBQOSA-N 367.424 2.980 0 50 FFAA Cc1cccnc1N1CCN(Cc2ccc(Sc3nncn3C)o2)CC1 72152023 LIYITVYHIJFLQK-UHFFFAOYSA-N 370.482 2.585 0 50 FFAA Cc1cc(C)cc([C@H](NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)C(=O)O)c1 263133993 TUBKFXGMUHRRQK-LRDDRELGSA-N 368.389 2.579 0 50 FFAA COc1ccccc1CN1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 72407743 IPZZIOUULXPXSZ-GOSISDBHSA-N 369.513 2.799 0 50 FFAA O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1 43772276 AVUYLHQSIMTBCQ-SDMFVQJASA-N 374.477 2.705 0 50 FFAA in-vitro CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cn3ccsc3n2)c1C 426369120 FREVKAWGULMJDD-SNVBAGLBSA-N 359.455 2.679 0 50 FFAA Cc1cc2c(cc1NC(=O)NCCc1nc(C)c3c(n1)CCC3)OCCO2 426405086 FKTWBDXXZKTZMY-UHFFFAOYSA-N 368.437 2.718 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCS(=O)(=O)CC(C)C 91651255 GFANOIZUIPGASB-UHFFFAOYSA-N 364.511 2.823 0 50 FFAA CCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CC[C@H](N(C)C)C3)c2c1 23251275 CGWRXZVKXJYSCO-INIZCTEOSA-N 363.465 2.963 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91493652 UUMMCYYOWZDZJT-FQEVSTJZSA-N 364.489 2.628 0 50 FFAA COc1cc(F)c(C(=O)N(C)Cc2nc(-c3ccncc3)no2)c(F)c1 91651429 ZROQLAMPVGMUJT-UHFFFAOYSA-N 360.320 2.691 0 50 FFAA CN1CCC(Cc2noc(CCc3nc(-c4ccccc4)no3)n2)CC1 95361097 XNFVHGLIBJKIET-UHFFFAOYSA-N 353.426 2.789 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 91486227 JONYRGHQIAXCRL-QFIPXVFZSA-N 369.509 2.546 0 50 FFAA Cc1nc([C@@H](C)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n[nH]1 95360003 MYKKTDDKLVLZMG-SNVBAGLBSA-N 354.380 2.847 0 50 FFAA CN(C)C(=O)CCc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F 97527377 QBAFVEREBBSOMH-SFHVURJKSA-N 373.428 2.702 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)C1 95498729 VURPQABQJGEBJX-IBGZPJMESA-N 372.509 2.571 0 50 FFAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccc(Cl)cc1 239174088 PGFUMUZXVSGJEN-GVAFMPQTSA-N 350.798 2.901 0 50 FFAA COc1ccc(C(C)=O)cc1CC(=O)NCC[C@@H]1C(=O)Nc2ccccc21 298774210 HBJWHZKWERYDFG-KRWDZBQOSA-N 366.417 2.683 0 50 FFAA CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)cc1OC 299268390 KIKLSTSLORVKDF-YBJDMEARSA-N 353.802 2.836 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1csc(-c2ccoc2)n1 299742254 AWEISNOGUOSBFK-INIZCTEOSA-N 368.414 2.984 0 50 FFAA CNC[C@@H]1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCCC2)C1 299738522 BXHJEDTXRVBJED-INIZCTEOSA-N 360.498 2.974 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)NCc1ccc2[nH]c(=O)[nH]c2c1 184478160 AENDCANNOSENAM-UHFFFAOYSA-N 370.459 2.900 0 50 FFAA COc1cc2c(cc1CNC(=O)N1CCC[C@@H](c3noc(C)n3)C1)CCC2 534593107 XSFZMVGROKBOET-MRXNPFEDSA-N 370.453 2.965 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)Nc1cccc(-c2ccn[nH]2)c1 299761617 WWJXSPPUMNWYEE-HNNXBMFYSA-N 368.397 2.675 0 50 FFAA O=c1cc(CN(Cc2cocn2)Cc2cocn2)nc2ccc(Cl)cn12 299776465 BVWJBCLKBUVNMQ-UHFFFAOYSA-N 371.784 2.526 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(c1cc(C)c3cc(F)ccc3n1)C2 299777071 IKNVUDVGVSVXCZ-UHFFFAOYSA-N 367.428 2.925 0 50 FFAA CN(Cc1ccc2ncccc2c1)C(=O)N[C@H]1CCCN(C(=O)C2CC2)C1 584893083 JXHLOSQYRHRTAF-SFHVURJKSA-N 366.465 2.777 0 50 FFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1c1ncnc2c1cnn2CCO 1875256944 GLQBPOMTRSBZTB-YOEHRIQHSA-N 367.453 2.805 0 50 FFAA CCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)O)c1cn(-c2ccc(C)c(F)c2)nn1 1875354459 WPIJXASLWLYDLV-FMKPAKJESA-N 374.416 2.783 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)NCc2noc(-c3ccco3)n2)c1 952975862 MCPCETSDKCVNFF-UHFFFAOYSA-N 354.366 2.854 0 50 FFAA COc1ccc([C@H]2CN(C(=O)Cc3sc(C)nc3C)C[C@@H]2N(C)C)cc1 1565506489 JJZDOLGXHDTBPS-MSOLQXFVSA-N 373.522 2.867 0 50 FFAA O=C(CCC(=O)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2)c1ccccc1 1565526480 JGYVCFZJULOKPP-AEFFLSMTSA-N 364.449 2.567 0 50 FFAA CC(C)c1noc([C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C2CCOCC2)n1 275280473 KNAYNQCCVJGMDD-DLBZAZTESA-N 371.437 2.781 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1CC2CCC1CC2)c1ccc(Br)o1 408490695 CILPJXXJHZEKSL-NWGYLPEXSA-N 362.245 2.680 0 50 FFAA O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N1CC(CO)C1 278475248 ITFVMLVMLHPADP-UHFFFAOYSA-N 354.275 2.805 0 50 FFAA CC[C@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 170608119 DAXWICUEODRYJG-IBGZPJMESA-N 351.450 2.603 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCOC[C@H]2Cc2ccccc2)cc1 752419334 PFOFBRWDINVCGK-HXUWFJFHSA-N 364.445 2.573 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)Cc2cn3ccsc3n2)C[C@@H]1O 210004856 ZZMDLJVUUYBCIO-KBPBESRZSA-N 361.492 2.685 0 50 FFAA COc1cccc(N2CCC(N3C[C@H](C(C)C)[C@@H](NC(C)=O)C3)CC2)c1 221987589 BJVWKYXTXZFSSG-RTWAWAEBSA-N 359.514 2.757 0 50 FFAA CC(C)c1ccc(/C=C/C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 1114118 LDEQZBCHYSVXQO-KPKJPENVSA-N 358.463 2.787 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](C(=O)c2cccc(OC)c2)C1 11661204 QUNFTZBTCZIOFL-MRXNPFEDSA-N 355.438 2.955 0 50 FFAA COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c(OC)c1 11690136 KMSLPQXJDNUPCZ-UHFFFAOYSA-N 356.357 2.984 0 50 FFAA CCn1ccnc1CN1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 11818605 KZXBWTVWJZSYMX-SFHVURJKSA-N 364.453 2.692 0 50 FFAA O=C(CCc1ccco1)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12707227 IBAQRTNYMRKXCI-MRXNPFEDSA-N 360.841 2.825 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)cc1 12717749 DZJWESMJXZSBLF-UHFFFAOYSA-N 372.465 2.728 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)Nc1nncc(-c2cccc(F)c2)n1 15069045 JMYBRZDLUDKQGR-INIZCTEOSA-N 352.369 2.874 0 50 FFAA Cc1cccc(C)c1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 19770736 CHCUCRNGXDYWJU-OAQYLSRUSA-N 354.494 2.861 0 50 FFAA COc1cc(=O)n2c(c1C(=O)NCCc1ccc(Cl)cc1)CCCC2 169760455 WXIAAQOXCGHLNY-UHFFFAOYSA-N 360.841 2.819 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ncccc3Br)n[nH]c21 1857531565 UHTWXPQVICHHCM-BDAKNGLRSA-N 365.231 2.519 0 50 FFAA Cc1cnccc1N1CCCN(c2cc(C(N)=O)c3ccccc3n2)CC1 1857674963 FSHHOXPLAXRBSS-UHFFFAOYSA-N 361.449 2.754 0 50 FFAA O=C(N[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1)c1csc2ccccc12 1857676401 GYHHOZDWGQMMDM-NEPJUHHUSA-N 364.492 2.634 0 50 FFAA CC(C)=CCN1CCC2(CC1)CN(C(=O)Cc1ccccc1)C[C@@H]2C(=O)O 1857693089 HOLVJPINUFCUSE-LJQANCHMSA-N 370.493 2.821 0 50 FFAA COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@H]32)ccc1O 1628618 CAYMSCGTKZIVTN-PJIJBLCYSA-N 356.374 2.592 0 50 FFAA biogenic Cc1cc(N2CCC[C@H](NC(=O)c3n[nH]c4ccc(Cl)cc34)C2)n(C)n1 328914239 QAVPIKBNQVTYML-ZDUSSCGKSA-N 372.860 2.657 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)CCc2nc3ccccc3n2-c2ccccc2)C1 238136106 BKVYZGQQLNKNHC-HNNXBMFYSA-N 363.417 2.891 0 50 FFAA COc1ccc2c(O)c(C(=O)N3CCO[C@H](c4ccco4)C3)cnc2c1 133249577 KTEOPAKTYLYZOB-KRWDZBQOSA-N 354.362 2.756 0 50 FFAA Cc1cnc([C@]2(NC(=O)c3cccc(C(F)(F)F)c3F)CCOC2)[nH]1 818675133 YWKMNVALVFGNDX-HNNXBMFYSA-N 357.307 2.922 0 50 FFAA CCC(CC)n1ncc(C(=O)N2CC[C@H](C3CC(NC(C)=O)C3)C2)c1C 2325849363 NCQPCDWIVBKOPT-GTPINHCMSA-N 360.502 2.929 0 50 FFAA CC(=O)NCC[C@@H]1CCCN(C(=O)Cc2ccc3cnccc3c2)CC1 2325868069 NVYAHTBPBJZTLW-KRWDZBQOSA-N 353.466 2.932 0 50 FFAA O=C(CN1CCC(C(F)(F)F)CC1)Nc1cccc(N2CCC2=O)c1 2325883866 NLFIVJGLNRJISA-UHFFFAOYSA-N 355.360 2.636 0 50 FFAA CN1C(=O)CC[C@H](NCc2cc(F)cc(Cl)c2)[C@H]1c1ccnn1C 922406313 OYSMSORZSPNAEH-YOEHRIQHSA-N 350.825 2.664 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cc(Cl)cc(Cl)c1 893936 JBMAGKIETHKZQD-UHFFFAOYSA-N 374.249 2.793 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 1200702 JVUXRJYWWUMOOP-UHFFFAOYSA-N 358.825 2.947 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 4578137 RUGGXMIJJGESET-UHFFFAOYSA-N 360.907 2.936 0 50 FFAA O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4756853 WCJZKXBMLLFCKI-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CC1=C[C@@H](c2ccccc2)n2nc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)nc2N1 100902068 QYOZLEKFBWXXNT-XHSDSOJGSA-N 363.421 2.876 0 50 FFAA CCc1nc2sc(C(=O)NCC(=O)O)c(N)c2c(C(F)(F)F)c1C 8748679 GLDKYRZAGSZPIM-UHFFFAOYSA-N 361.345 2.583 0 50 FFAA Cc1noc2ccc(CN3CCC(c4cc(CC(=O)O)[nH]n4)CC3)cc12 67587250 GMKKUCUPBSYMIT-UHFFFAOYSA-N 354.410 2.866 0 50 FFAA O[C@@H]1CCCN(c2ccc(-c3nc(COc4ccccc4)no3)cn2)C1 20451459 OYDXGLYWSGQKII-OAHLLOKOSA-N 352.394 2.672 0 50 FFAA O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCOCC1 27974118 WSPACEOBQLEADH-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)N2CCCC2)c1 67339071 IFBJQCGKPDVQFC-UHFFFAOYSA-N 362.426 2.887 0 50 FFAA CCN1CCN(C(=O)CCC2CCN(C(=O)c3ccsc3)CC2)CC1 20256683 QJBWTMZYOWZOKW-UHFFFAOYSA-N 363.527 2.545 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)c3ccc(Cl)cc3)ncn2)c1C 72437741 FXAQOZSIFCLKBS-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3sc(N)nc3c2)CC1 20534120 FOANVXMNUXREMG-UHFFFAOYSA-N 368.462 2.850 0 50 FFAA CCN(C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1)C(C)C 328604656 KSDUSHKHZVLQFG-AUUYWEPGSA-N 370.457 2.730 0 50 FFAA CCn1ncc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1C 39515234 NOWQGBACBCOEBZ-OAQYLSRUSA-N 356.514 2.589 0 50 FFAA CCn1cc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cn1 2804633 KIIDJCXABJCTDN-UHFFFAOYSA-N 373.482 2.874 0 50 FFAA O=C(CN[C@H]1CCCc2ccc(O)cc21)N[C@H]1CCOc2ccccc21 253416021 MHXCJNOHSHSJDC-OALUTQOASA-N 352.434 2.999 0 50 FFAA COc1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc2c1OCCO2 120584448 SDOCZYJHHQPBDN-AYOQOUSVSA-N 351.402 2.925 0 50 FFAA Cn1c(=O)oc2c(C(=O)NC[C@H]3CCCN3Cc3ccccc3)cccc21 121491227 WMCTUMQLMRMLOY-MRXNPFEDSA-N 365.433 2.526 0 50 FFAA Cc1cccc(=O)n1CCCNC(=O)c1ccc(CCC(C)(C)O)cc1 72411371 BTUGMGZMKJJMDU-UHFFFAOYSA-N 356.466 2.680 0 50 FFAA COc1cc(CN2CCCC[C@@H]2c2ccccn2)ccc1OCC(N)=O 215364758 WXTLBXJUAZATLC-QGZVFWFLSA-N 355.438 2.682 0 50 FFAA CC(=O)N(C)C1CCN(C(=O)Nc2ccccc2-c2noc(C)n2)CC1 363378877 GKRCRJDXCQPESV-UHFFFAOYSA-N 357.414 2.520 0 50 FFAA Cc1nn(C)c(NC(=O)C(=O)N2CCC[C@@H]2/C=C/c2cccs2)c1C 364034369 XQFZZHWJXGPEKT-MYSGNRETSA-N 358.467 2.741 0 50 FFAA NC(=O)c1ccc(NC(=O)CCN2CCC[C@H](Nc3ccccc3)C2)cc1 155053092 JYMZCHZUAQWGGU-IBGZPJMESA-N 366.465 2.691 0 50 FFAA CCCOc1ccc(CCC(=O)N2CCOC[C@H]2c2nc(C)no2)cc1 155551495 BIALMWLFQSSMME-KRWDZBQOSA-N 359.426 2.700 0 50 FFAA O=C(c1conc1C1CC1)N1CCC[C@H](Cc2nnc3ccccn23)C1 368225249 HGWCJGKXAPCNOR-CYBMUJFWSA-N 351.410 2.690 0 50 FFAA C[C@@]1(CN)CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 262172888 YQBSUTULIPKUIB-UGKGYDQZSA-N 365.477 2.745 0 50 FFAA Cn1ncnc1[C@H]1COCCN1Cc1csc(-c2ccccc2F)n1 284789117 NXFTYHXFGXFUJV-OAHLLOKOSA-N 359.430 2.651 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1F 77286680 LJEPBADUDSKDLS-OAHLLOKOSA-N 368.474 2.690 0 50 FFAA CC(=O)Nc1c[nH]c(C)c1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376106588 KJBCTYLJRJEARJ-SJORKVTESA-N 355.438 2.520 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@](O)(CNCCC(C)(C)C)C2=O)c1 71736386 DSZSMLJRFGMFES-HXUWFJFHSA-N 366.477 2.714 0 50 FFAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72432753 SBRCMBQMMZYZOW-NSHDSACASA-N 358.833 2.673 0 50 FFAA CCCNc1ncc(CN2CCCC23CCN(c2ncccn2)CC3)cn1 72424667 JLPNCCMFOUNDIC-UHFFFAOYSA-N 367.501 2.724 0 50 FFAA O=C([C@@H](O)c1cccc(Cl)c1)N1CCN(Cc2cccc(F)c2)CC1 72426834 VUVYYKWBWRJPCH-SFHVURJKSA-N 362.832 2.857 0 50 FFAA CCCc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)c2cnn(C)c2n1 72476570 JXFIKISGUVSWBH-UHFFFAOYSA-N 369.444 2.943 0 50 FFAA O=C(N[C@H](c1ccccc1)C(F)F)N1CCC2(CCC2)S(=O)(=O)CC1 333940573 ODXSSYQKWFNALW-CQSZACIVSA-N 372.437 2.746 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237733570 IZDYYGJHULGZFJ-WMZOPIPTSA-N 372.465 2.589 0 50 FFAA Cc1ccccc1-n1cc(CN(C)C(=O)COC[C@@H]2CCCCO2)cn1 220293919 MDFYSFGDNCCKQI-SFHVURJKSA-N 357.454 2.725 0 50 FFAA O=C(c1nc2cccnc2s1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 289913151 ZJLDIKMVKRVNTK-IBGZPJMESA-N 371.437 2.898 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)NCc2cn3c(n2)SCC3)c(C)s1 426684512 OKRXECURCNVUMN-SECBINFHSA-N 351.501 2.965 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)CCc3ccc(O)cc3)cc2C1 82099573 VSLVHTJMFOTYMS-UHFFFAOYSA-N 370.497 2.699 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 95525857 MBUDJXXVYXADSO-LLVKDONJSA-N 364.389 2.994 0 50 FFAA CC(C)N1CCC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 91725517 ACPVDIMXQYLDPY-INIZCTEOSA-N 370.497 2.532 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N[C@H](C)c2nc3c(s2)CCCC3)n1 95352467 YOCUPFPMCLELDQ-SECBINFHSA-N 352.485 2.697 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)n1 95498281 PVZLUDBVCKJHIH-AWEZNQCLSA-N 370.457 2.582 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCOC3)C2)c1OCCn1ccnc1 95384353 TZCCABRZZWQQFM-OAQYLSRUSA-N 371.481 2.973 0 50 FFAA O=C(NCc1noc(Cc2ccccc2)n1)c1c[nH]nc1-c1ccccc1 91943222 BDURNXKNOUNLCU-UHFFFAOYSA-N 359.389 2.981 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4ccco4)C3)CCC2=O)cn1 91270610 YFLKEGKROQXDJU-HXUWFJFHSA-N 354.454 2.783 0 50 FFAA O=C(COc1ccc(-c2nc([C@H]3CCOC3)no2)cc1)N1CCCCC1 96141527 WGNRJCIWCXNMSR-HNNXBMFYSA-N 357.410 2.632 0 50 FFAA O=C(O)c1ccccc1-c1cn(CCc2nc3ccc(F)cc3[nH]2)nn1 95363135 FPSBYLXNYACHPA-UHFFFAOYSA-N 351.341 2.901 0 50 FFAA CCC1=NO[C@H](C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)C1 95512561 UCHLLAZAAYQBSC-SFHVURJKSA-N 369.465 2.583 0 50 FFAA COc1ccccc1CCNC(=O)CN1CCCC[C@@H]1c1cc(C)on1 244858422 VKXDANCUALSKCG-GOSISDBHSA-N 357.454 2.878 0 50 FFAA CCn1cnnc1[C@H](C)NC(=O)CC1CCN(Cc2ccccc2)CC1 244724463 MUQXYCOFWSLEPM-INIZCTEOSA-N 355.486 2.778 0 50 FFAA Cc1cc2cc(C(=O)N[C@@H]3CCN(Cc4cccnc4)C[C@H]3O)ccc2o1 244796085 RSLLDUZELCRHEU-RTBURBONSA-N 365.433 2.501 0 50 FFAA O=C(NCc1ccc(CN2CCCC2)cc1)N[C@H](CO)c1ccc(F)cc1 265325052 VXKFPGDBHHQAND-HXUWFJFHSA-N 371.456 2.954 0 50 FFAA COc1ccc(-n2cc([C@H](C)NC(=O)N3CCOC(C)(C)C3)cn2)cc1 534581961 KAZGQRPKEAPQIS-AWEZNQCLSA-N 358.442 2.762 0 50 FFAA O=C(NCCCN1CCC(O)CC1)[C@@]1(c2ccccc2)CC12CCCC2 299787877 SNVWCEUINWHOCM-QFIPXVFZSA-N 356.510 2.852 0 50 FFAA CCCn1nccc1C(=O)N[C@@H](C)c1cnn(-c2cccc(OC)c2)c1 584886770 XYKJIWKAMLXLKY-AWEZNQCLSA-N 353.426 2.978 0 50 FFAA CC(C)NC(=O)c1ccnc(N2CCN(Cc3ccn(C(C)C)c3)CC2)c1 67954575 YIWUANYOUKGYSY-UHFFFAOYSA-N 369.513 2.924 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@@H](C2CC2)C1 1875266045 TVRYFJGSAXDCJR-VQIMIIECSA-N 361.461 2.641 0 50 FFAA O=C(Nc1ccc(Cn2ccnc2)cn1)[C@H]1CCCN(c2nccs2)C1 1875256997 WGCXRKMKEKHBPZ-HNNXBMFYSA-N 368.466 2.638 0 50 FFAA Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(N2CCCC2)n1 1875393645 JBFABCAZWSCALE-KGLIPLIRSA-N 369.469 2.666 0 50 FFAA CO[C@H]1C[C@H](C(=O)O)CN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)C1 1875320035 DAPZPPFKXUNYSW-RYUDHWBXSA-N 372.343 2.540 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@](CC)(C(F)(F)F)C2)c1 1875366805 CCNAOOSWXZQCSY-INIZCTEOSA-N 356.344 2.995 0 50 FFAA O=C(c1ccccc1Nc1ccc(F)cc1)N1CCN([C@@H]2CCNC2)CC1 952845930 NJHIXZJIKUZSCL-GOSISDBHSA-N 368.456 2.689 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 952868722 RWSPLPIJNKONQP-LBPRGKRZSA-N 368.268 2.570 0 50 FFAA CCNC(=O)N1CCC(NC(=O)COc2ccccc2[C@H](C)CC)CC1 952872004 GOKVIBSFHNTLGO-OAHLLOKOSA-N 361.486 2.889 0 50 FFAA Cc1csc(C[C@H]2CCN(C(=O)Cc3nnc(O)c4ccccc34)C2)n1 886239732 DWMNPMGIDWEIDL-CYBMUJFWSA-N 368.462 2.734 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccccn2)C[C@@H]1O)c1cc2ccccc2s1 1565527819 WYSHIUMJBHMRGF-IRXDYDNUSA-N 367.474 2.662 0 50 FFAA CC[C@@H](NC(=O)Nc1nnc(-c2ccco2)s1)[C@H](O)C(F)(F)F 270863700 KIYSSLNUUQJXNR-SVRRBLITSA-N 350.322 2.621 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CCC1=O 186561263 FRLNCHBYQMRRLU-LLVKDONJSA-N 368.355 2.883 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCC(c3ccncc3)CC2)CC1 1506403339 XWRICNXIXYICNN-UHFFFAOYSA-N 350.466 2.961 0 50 FFAA CCN1CC[C@@]2(CO)CCCN(C(=O)CCc3c[nH]c4ccccc34)[C@@H]2C1 1772702707 VFQMUETXVPQGDT-IFMALSPDSA-N 369.509 2.796 0 50 FFAA COc1cc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc(OC)c1 5388121 RLCPOMNDIWFTQI-UHFFFAOYSA-N 371.418 2.628 0 50 FFAA NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1 16650919 YCCZSFSGZAZQBC-UHFFFAOYSA-N 371.673 2.533 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 19855989 HAGQIFZQKPZTGB-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA O=C(CCCOc1ccccc1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 219071978 OLOBXJDPQGOYEL-QRFRQXIXSA-N 354.450 2.739 0 50 FFAA O=C1CC2(CCN(Cc3ccc(-c4ccccn4)cc3)CC2)OCCN1 1857688299 BEPXZHBEUMJYQP-UHFFFAOYSA-N 351.450 2.620 0 50 FFAA Cc1cc(CC(=O)N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)cc(C)n1 1857730109 JTSVKJUSGPKZJT-RTBURBONSA-N 360.498 2.798 0 50 FFAA Cc1oc(-c2ccccc2F)nc1CN1CCC2(CC1)CNC(=O)CCO2 1857730922 CQIUMCFQRFBAGD-UHFFFAOYSA-N 373.428 2.660 0 50 FFAA COc1ccc2c(Cl)c(-c3nnc(SCC(N)=O)n3C)sc2c1 935567 VMPWVDDMEBEOAR-UHFFFAOYSA-N 368.871 2.936 0 50 FFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nn2)n1 13009041 KRPXQIIGYTZNSM-UHFFFAOYSA-N 368.485 2.508 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 248607409 VKKMZBUFVIQWNX-ZNEHSRBWSA-N 369.387 2.903 0 50 FFAA COCc1nc(C)cc(N2CCN(c3nc4cc(C)ccc4o3)CC2)n1 266711476 JNHDZDUSWIRCIO-UHFFFAOYSA-N 353.426 2.708 0 50 FFAA O=C(O)C12CCC(C(=O)N3CCC(c4ncc5n4CCCC5)CC3)(CC1)C2 911708496 UOUBLWIZMWWUTM-UHFFFAOYSA-N 371.481 2.961 0 50 FFAA Cn1ncc(C(=O)NC[C@H]2CCC3(CCC3)[C@H]2O)c1Cc1ccccc1 2325782603 NIXIRVQSSFZQND-APWZRJJASA-N 353.466 2.682 0 50 FFAA Cc1cc(C(=O)Nc2ccc3nc(CN)[nH]c3c2)nn1-c1cccc(F)c1 2325858381 LDFXWYGQBHRQNH-UHFFFAOYSA-N 364.384 2.907 0 50 FFAA C[C@@H](CCNC(=O)CC(C)(C)C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868715 HRGMQBAZTTVCRM-XYTVBORESA-N 351.535 2.697 0 50 FFAA Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H]2C(=O)NCC2(C)C)cc1 912634975 COEACFQOFRXWJI-KRWDZBQOSA-N 357.479 2.610 0 50 FFAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 1049487 NJFYFUVXDNKJBB-VIFPVBQESA-N 365.282 2.719 0 50 FFAA O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C1=NCCS1 1134594 COBWRALAEORIHR-OPQOLIRYSA-N 360.438 2.981 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 2877952 HWIDMZCJSAZKPB-CQSZACIVSA-N 372.556 2.797 0 50 FFAA CCCCOc1ccc(N2C(=O)C[C@H](NCc3ccncc3)C2=O)cc1 2965187 TZHPSZIZGIRPJN-SFHVURJKSA-N 353.422 2.682 0 50 FFAA Cn1c(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cnc1-c1ccccc1 2356159935 WNILTOHKMGCKIB-OAQYLSRUSA-N 361.449 2.930 0 50 FFAA c1cncc(-c2nnc3sc(Cc4ccc5c(c4)OCCO5)nn23)c1 4511785 DVCZGZXXXVYFEP-UHFFFAOYSA-N 351.391 2.610 0 50 FFAA CON1CCC(N(C)C(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 861943261 DBNAWAJEJZRCJA-FQEVSTJZSA-N 371.525 2.773 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1COCCO1)CCO2 67956422 FKBHDDDIAABGRX-GOSISDBHSA-N 355.434 2.977 0 50 FFAA CC(=O)c1csc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 124298866 QGWIAAKMJPNTLO-CYBMUJFWSA-N 366.487 2.752 0 50 FFAA CC(C)N(C)c1ccc(CN2CCNC(=O)[C@H]2c2ccccc2F)cn1 252498217 QWZBYQZXTHSOJU-LJQANCHMSA-N 356.445 2.738 0 50 FFAA O=S(=O)(N[C@H]1CCN(c2ccccc2)C1)c1cnc2ccccc2c1 252508512 XOLASHHTIRQCDS-INIZCTEOSA-N 353.447 2.792 0 50 FFAA CN1CCC([C@H]2CCN(c3cc(Br)cnc3C(=N)O)C2)CC1 329956915 PVSSQZDRJLJLDC-LBPRGKRZSA-N 367.291 2.896 0 50 FFAA O=C1C[C@H](COCc2ccccc2)c2ccc(N3CCNC3=O)cc2N1 65388216 CRTNCOYNQQXKOY-OAHLLOKOSA-N 351.406 2.859 0 50 FFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CC=CC[C@H]1C(=O)O 794640 XMSLPTJAWDQIRU-DLBZAZTESA-N 356.422 2.918 0 50 FFAA Cc1nn(CC(=O)c2cc(C)n(CCC(C)C)c2C)c(=O)c(CO)c1C 253425800 IGCVTVQGIDBQQW-UHFFFAOYSA-N 359.470 2.700 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)N[C@H](Cc1ccncc1)C1CC(O)C1 219939627 CCOLIDGTYLLESV-JFUPDXTOSA-N 362.832 2.915 0 50 FFAA O=C(c1sccc1Cl)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71768014 ZQDRBFRBIOLVLV-UHFFFAOYSA-N 372.837 2.745 0 50 FFAA Cc1c(CCC(=O)N2CCC[C@H]2CN2CCc3ccccc32)cnn1C 362668194 CTOJJBUPPMKORH-IBGZPJMESA-N 352.482 2.715 0 50 FFAA CCOc1ccccc1NC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 363235686 AGBICSTZNBOLOE-OAHLLOKOSA-N 355.442 2.974 0 50 FFAA Cn1cnc2c(C(=O)NC[C@@H]3CCN(c4ccc(F)c(F)c4)C3)ccnc21 367491618 VTFYDDLKQXAHQW-LBPRGKRZSA-N 371.391 2.503 0 50 FFAA Cc1cc(=O)c(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c[nH]1 72158321 VFRZSGURFGHJGW-INIZCTEOSA-N 359.857 2.731 0 50 FFAA Cc1nc(N2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)sc1C 126619131 HBXWPQPZHOVNNZ-HNNXBMFYSA-N 370.478 2.535 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cc1 72431621 IGLKSVXZTJRGFH-HXUWFJFHSA-N 367.445 2.878 0 50 FFAA COC(=O)CCCc1nnc(NC(=O)Cc2cn(C)c3ccccc23)s1 157938817 OQRSFPKCCVMMET-UHFFFAOYSA-N 372.450 2.707 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCCO[C@@H](Cn3cccn3)C2)cc1 72409920 PLXRQJKTRZTTNZ-HXUWFJFHSA-N 357.498 2.878 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H](C(=O)O)c1ccccc1 262772710 MNCMMGXQDSLJHZ-QGZVFWFLSA-N 366.421 2.919 0 50 FFAA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 263366839 WJBKBKIMDBHUQW-SHZVTRLKSA-N 359.447 2.884 0 50 FFAA O=C(CSc1ccncc1)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 221326101 APNCJRLGLLWRHE-LJQANCHMSA-N 372.494 2.636 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N1CC(c2nc3ccccc3[nH]2)C1 223073801 JAONCGAAQSTJQP-UHFFFAOYSA-N 358.401 2.504 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccsc3)n[nH]1)C2 222354873 ULXSEWUODMLHPW-QGZVFWFLSA-N 371.466 2.824 0 50 FFAA CN(Cc1ccon1)C(=O)NC[C@H]1CCCN(CCc2ccccc2)C1 426511757 SHAWATGKICMTBU-GOSISDBHSA-N 356.470 2.771 0 50 FFAA CCN(C(=O)c1ccc(-c2cnc3ccccc3n2)cc1)[C@H]1COC[C@@H]1O 426666954 HBTDNRZXSDRUCZ-PMACEKPBSA-N 363.417 2.519 0 50 FFAA Cc1ccc2cc(CN3CCCCC3)c(N3CCN(CCO)CC3)nc2c1 222997214 SZBVNGLWOVJOBA-UHFFFAOYSA-N 368.525 2.643 0 50 FFAA COc1cccc(SCC(=O)N2CCN(Cc3ccccn3)CC2)c1 44376004 IXDNPTDPAHCTMI-UHFFFAOYSA-N 357.479 2.527 0 50 FFAA CCCn1cnnc1[C@H](C)NC(=O)Nc1cnn(Cc2ccccc2F)c1 426409137 AWZNWGLCWJAIJX-ZDUSSCGKSA-N 371.420 2.955 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC(c3nccn3CC3CC3)CC2)c1C 95507672 YIFFJBNEEXKKIZ-UHFFFAOYSA-N 355.486 2.972 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95383202 KKSIXRXBZGGSKX-MRXNPFEDSA-N 368.437 2.569 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cnc(-c2ccncc2)nc1 97505797 LIWTYACAFJPKCX-UHFFFAOYSA-N 366.450 2.525 0 50 FFAA COc1ccccc1CN(CCO)C(=O)c1ccc2c(c1)NC(=O)C2(C)C 293733992 PIYCXBVEKDQBIJ-UHFFFAOYSA-N 368.433 2.560 0 50 FFAA CC(C)N1CCC[C@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O 92019303 MOHHAQLNDGJHHU-JOCHJYFZSA-N 371.525 2.746 0 50 FFAA CC(=O)c1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95526158 SEMOXIYBTJVMQW-LJQANCHMSA-N 368.481 2.667 0 50 FFAA O=C(CCCCC(=O)OC[C@@H]1CC[C@@H]2O[C@@H]2C1)OC[C@@H]1CC[C@H]2O[C@H]2C1 238808860 DJUWPHRCMMMSCV-BLONOQDTSA-N 366.454 2.768 0 50 FFAA CCc1c(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)oc2ccccc12 294868467 HHNZGKJXGDIZDF-HNNXBMFYSA-N 366.421 2.572 0 50 FFAA C[C@@](O)(CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccccc1 182246701 QYBBUCRNFYVJOY-JOCHJYFZSA-N 372.509 2.972 0 50 FFAA CCc1nc(C)c(CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)s1 252485182 GOTHCRSDYBCCFA-QGZVFWFLSA-N 373.522 2.921 0 50 FFAA CC(C)C[C@@H](NC(=O)N1CCCN(c2ccccc2)CC1)c1ncnn1C 534669298 XTBCFEPPBAIDDN-GOSISDBHSA-N 370.501 2.824 0 50 FFAA CC(C)(C)c1ccc2oc(CNS(=O)(=O)N3CCCCC3)nc2c1 534630544 WVQPTPGTQGCYMS-UHFFFAOYSA-N 351.472 2.946 0 50 FFAA O=C(Cn1cnc2ccccc21)NC1CCN(C2CCSCC2)CC1 299801835 YKXJXOHYRDWCAS-UHFFFAOYSA-N 358.511 2.513 0 50 FFAA COCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1 299757970 LTZYCRLTSITKDQ-SNVBAGLBSA-N 357.336 2.826 0 50 FFAA Cn1ccn2ncc(C(=O)N3CCC[C@H](COc4cccc(F)c4)C3)c12 299790237 BIAGTAGEOYHECD-AWEZNQCLSA-N 356.401 2.743 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCC[C@H](C)n2ccnc2)c1C 299770182 PSBGDXDDUGAEJV-ZDUSSCGKSA-N 359.430 2.549 0 50 FFAA COc1ccc(Cc2nc([C@H](C)OC)n(-c3cccnc3)n2)cc1OC 824258706 RWUZSVWOBNKGNU-ZDUSSCGKSA-N 354.410 2.978 0 50 FFAA CCn1nc(CNC(=O)N(C)Cc2n[nH]c3c2CCC3)c2ccccc21 584889388 MMKBWSJWNYQGKK-UHFFFAOYSA-N 352.442 2.610 0 50 FFAA Cc1cc(C)n(-c2ccccc2NC(=O)c2nn(C)c3c2COCC3)n1 1875289932 YVXDTYSJTJMOPJ-UHFFFAOYSA-N 351.410 2.548 0 50 FFAA CC[C@@H](NS(=O)(=O)c1cn(CC)nc1C1CC1)c1c(C)nn(C)c1C 1875289796 PENLQNZXUXYBSD-CQSZACIVSA-N 365.503 2.560 0 50 FFAA Cc1sc([C@@H](C)N)nc1C(=O)NCc1nc2c(s1)C[C@@H](C)CC2 1875287723 XLSBZGKYMRIVFP-DTWKUNHWSA-N 350.513 2.983 0 50 FFAA Cc1nc2cc(C(=O)N3CCN(c4ncnc(C)c4C)CC3)ccc2s1 952967596 IDXQXUIHWLJIKP-UHFFFAOYSA-N 367.478 2.974 0 50 FFAA Cc1ccc(NC(C)(C)C(=O)N2CCC(N3CCC(O)CC3)CC2)cc1 952973230 KUAZTIXDVQPTEK-UHFFFAOYSA-N 359.514 2.633 0 50 FFAA COc1cccc(C)c1C(=O)NCC1CCN(C2CCN(C)CC2)CC1 952979220 RUQKZFONAHOBNA-UHFFFAOYSA-N 359.514 2.540 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3ncc(C(C)C)s3)C2)ccn1 886044947 OVDYLUWIFIESNU-QGZVFWFLSA-N 374.510 2.951 0 50 FFAA Cc1ccc(C2(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)CC2)cc1 1565506090 FYDSFSPBJUGZSW-ROUUACIJSA-N 352.434 2.774 0 50 FFAA Cc1cc(-c2cccc(C(=O)N[C@H]3CNCC[C@@H]3O)c2)c2ccccc2n1 1565509499 QLOBGCAPSYGBEB-SFTDATJTSA-N 361.445 2.663 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(c3ccc(-c4nc(C)no4)cn3)CC[C@@H]21 1565526172 FYFGYUMYYBWAKD-CVEARBPZSA-N 355.442 2.667 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)Cc2c[nH]c3ccccc23)o1 275356327 MGCMDSKSVKSHHT-MRXNPFEDSA-N 354.410 2.817 0 50 FFAA O=C(CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)NCc1ccc(F)cc1 275534912 CKQXDWQEGZBNMK-GOSISDBHSA-N 356.445 2.881 0 50 FFAA O=C(CCc1ccco1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275670098 PJPFFUKRRQLWBU-QGZVFWFLSA-N 355.438 2.887 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)C1CCCCC1 408357110 UYQRHRWBHRJKBT-UHFFFAOYSA-N 352.275 2.896 0 50 FFAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nn(C)c(=O)s1 170617604 CEMWSIIKIJFGOX-GFCCVEGCSA-N 355.419 2.915 0 50 FFAA CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cs1 190187944 KJZBNEVUNFQDOX-BBRMVZONSA-N 365.476 2.659 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)n1 1506424208 HPWVZPBWZFHDFS-AWEZNQCLSA-N 361.442 2.775 0 50 FFAA CCOc1ccc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc1 630939 DUPVOTFZHNPUEB-WJDWOHSUSA-N 367.405 2.904 0 50 FFAA CCCn1nc(C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)c1C 1529091923 RZDDTWGTSDVARF-UHFFFAOYSA-N 355.446 2.536 0 50 FFAA COc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2nsnc2C)cc1 1775980340 YTWGNAQRGILHHX-MRXNPFEDSA-N 361.467 2.719 0 50 FFAA CCc1ccccc1CN1C[C@@H]2CN(c3cccc(C)n3)C[C@@]2(CO)C1 1772807525 OMFVXYXXWSSHDY-IFMALSPDSA-N 351.494 2.883 0 50 FFAA CS(=O)(=O)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 11838535 DDNVROYGKGHUIK-INIZCTEOSA-N 356.919 2.834 0 50 FFAA Cc1nc(C(=O)NC[C@@H]2Cc3cccc(-c4ncccn4)c3O2)cs1 11995800 XPAHINGSWCIULQ-ZDUSSCGKSA-N 352.419 2.642 0 50 FFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(NC(C)=O)cc2)C1 12199248 DZBLTIVFYWMKNM-HXUWFJFHSA-N 362.470 2.827 0 50 FFAA CCc1ccc(-c2cn3c(C(=O)N[C@H](C)C(=O)OC)csc3n2)cc1 12433968 IZDXUHLDDOPBLQ-LLVKDONJSA-N 357.435 2.917 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccoc4)C3)C2=O)c1 12712845 XILYZOZQHOFTRX-OAQYLSRUSA-N 368.433 2.943 0 50 FFAA O=C(NCCCN1CCCCCC1)c1ccc(CN2CCOCC2)cc1 13673824 ICWPRUAELVFKIT-UHFFFAOYSA-N 359.514 2.515 0 50 FFAA CCN(CC)C(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13679120 UPAOQXQLTILJPX-UHFFFAOYSA-N 366.527 2.529 0 50 FFAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccccc2)C1 14538865 ODLAIPYSSUUJNT-NHCUHLMSSA-N 357.542 2.993 0 50 FFAA CC1CCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1 14884489 UITHJHDOULXXBU-IBGZPJMESA-N 362.857 2.615 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1OC 19642704 HJJCFGBSDQKIJD-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)c3ccco3)C[C@]23CC[C@H]1O3 1857716865 HTOMOAUTASTACM-XOAFDBJRSA-N 372.465 2.762 0 50 FFAA O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857727964 HKBOGSXMGHAYQY-DZCCDHAISA-N 363.457 2.817 0 50 FFAA CC(C)=CCN1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875239827 BWWAUQGMWKRYEO-FQEVSTJZSA-N 371.525 2.845 0 50 FFAA Cc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c(F)c1 331999395 XWUXEMVPDPYMMA-SJLPKXTDSA-N 367.417 2.911 0 50 FFAA CNC[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 237207208 NMQPSCAWICKQEA-JTQLQIEISA-N 370.824 2.979 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccc(Cl)cc2[nH]1 238096123 MONBMINJDHQLKL-ZDUSSCGKSA-N 350.802 2.917 0 50 FFAA O=C(C[C@@H]1CCOc2ccccc21)N1CCN(Cc2cccc(O)c2)CC1 130858761 ZIOXKGCKWVPVQY-SFHVURJKSA-N 366.461 2.993 0 50 FFAA C[C@H](CCc1ccccc1)N1CCC(n2cc(C(=O)NC3CC3)nn2)CC1 15003012 FDJPJDKBXONYHC-MRXNPFEDSA-N 367.497 2.829 0 50 FFAA C[C@H]1CCCN(CCNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 249796544 XBZZSIYNJFORQU-DLBZAZTESA-N 362.493 2.683 0 50 FFAA COC1(CC(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCC1 252507940 WXUFKMJGQDWUMQ-SFHVURJKSA-N 373.497 2.751 0 50 FFAA NC1(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CCOCC1 261809701 JLCJLSZTFHUNJZ-TVRCVXMWSA-N 362.473 2.908 0 50 FFAA CCCN(CCNC(=O)CC(C)(C)C)C(=O)[C@H]1CC[C@H]2CCCCN21 2325793662 CBVRJUKTWSQHHD-IAGOWNOFSA-N 351.535 2.794 0 50 FFAA O=C(N[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccn2c1CSCC2 2325808271 LVCYSZGGHZYLMJ-CQSZACIVSA-N 350.827 2.944 0 50 FFAA CCCCC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2ncon2)cc1 2325866922 DZGIAVIDVKLFOQ-UHFFFAOYSA-N 358.442 2.847 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)ccc1C(=O)O 901481037 RJFBQZINEQHGHP-OAHLLOKOSA-N 352.390 2.794 0 50 FFAA COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 1471014 YQHGJBSNYULMRQ-UHFFFAOYSA-N 371.361 2.709 0 50 FFAA COc1cc(-c2o[nH]c(=N[C@H](C)c3ncc(C)[nH]3)c2C(=O)O)ccc1F 2356138136 FMFFOPMDZCSDOK-SECBINFHSA-N 360.345 2.814 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cnc3ccccc3c2)CC[C@@H]1O 2356163905 WQXUVPWANBJMEB-GHTZIAJQSA-N 370.449 2.949 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1 2850322 XFHYBOOIIQJTMQ-UHFFFAOYSA-N 373.478 2.674 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 100628659 BPSFGVUEBIZPAP-CLROSIBMSA-N 360.841 2.512 0 50 FFAA Cc1ccc(NC(=O)[C@@H](C)NC(=O)Cc2noc3ccccc23)c(F)c1 67690967 VUMNWJMUZUPWGY-GFCCVEGCSA-N 355.369 2.961 0 50 FFAA CNC(=O)[C@H]1CCN(Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 67675955 DSMZRSKNUOFFQF-HNNXBMFYSA-N 357.454 2.843 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NCc1nc(C)c2c(n1)CCCC2)N(C)C 65532208 JNJIOXKZALNXSG-FQEVSTJZSA-N 352.482 2.891 0 50 FFAA Cc1nc([C@H]2CCCNC2)cc(N(C)Cc2cc(-c3ccncc3)no2)n1 67473202 DLFKEOYOXAAPRU-INIZCTEOSA-N 364.453 2.938 0 50 FFAA CCc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)o1 20235711 CWOISWCLFFYIMP-SFHVURJKSA-N 358.482 2.919 0 50 FFAA O=C(O)c1cc2n(n1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 65381907 MTPMMMRVSXHJQE-UHFFFAOYSA-N 353.334 2.623 0 50 FFAA CC(C)(C)c1cc([C@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)n[nH]1 67689006 KGRVAMCTGYPEMH-ZDUSSCGKSA-N 353.426 2.711 0 50 FFAA CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 328640958 XRIYSVNTBFYWFL-ZDUSSCGKSA-N 371.865 2.700 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCC[C@H](CN3CCCCC3)C2)cc1 65406717 QGKKSXRMSNUDGY-GOSISDBHSA-N 350.528 2.788 0 50 FFAA COC(=O)c1cccc([C@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65435180 BVENQIDBAOXQNV-CQSZACIVSA-N 371.462 2.682 0 50 FFAA CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@H]1Cc2ccccc2O1 12198634 FKAWKIMGGQAIES-OAHLLOKOSA-N 365.389 2.901 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCCO[C@H](Cn4cccn4)C3)c2c1 77457546 FHIGFSCUQDSCIX-KRWDZBQOSA-N 364.449 2.979 0 50 FFAA Cn1nnc2c(C(=O)N3CCCc4cccc(OC(F)F)c43)ccnc21 282319884 ZKCWMQUXROXRCI-UHFFFAOYSA-N 359.336 2.558 0 50 FFAA COc1cccc(CC2(C(=O)N3CCc4nn[nH]c4C3)CCCCC2)c1 486533311 DBNRYQJEQMWLCG-UHFFFAOYSA-N 354.454 2.891 0 50 FFAA COCCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1OC 77342056 FJLDHIOEXNBWPT-AWEZNQCLSA-N 357.472 2.674 0 50 FFAA O=C(NCCc1ccccc1Cl)NCc1ccnc(-n2ccnc2)c1 363453735 BVKIGIIDBLMGSR-UHFFFAOYSA-N 355.829 2.963 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC[C@@](O)(CO)CC1 72167834 FAYXXKFZDGMUHY-FQEVSTJZSA-N 359.422 2.517 0 50 FFAA Cc1nc(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(C)s1 155827746 RCWOKSVYYZRMNK-UHFFFAOYSA-N 369.494 2.523 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(C(=O)c4ccco4)CC[C@H]32)o1 72453676 NKFGCYMARSOPOW-DOTOQJQBSA-N 356.422 2.877 0 50 FFAA O=C1NCCN1[C@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 369565687 BVCJIDCVOAITAN-HNNXBMFYSA-N 361.511 2.966 0 50 FFAA CCN1C(=O)[C@@H]2CN(C(=O)c3sccc3-c3ccccc3)CCN2C1=O 371156251 JXIZODOGQTXFHH-HNNXBMFYSA-N 369.446 2.524 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N1CCCC[C@@H]1CCn1cccn1 77287360 LTTTZWZTNBNRQD-GOSISDBHSA-N 362.499 2.505 0 50 FFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71404246 IWMWJRODQVLMRS-LBPRGKRZSA-N 362.376 2.844 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCCC[C@@H]1CCN1CCOCC1 77453311 QUKPGPKIVUIUAT-OAHLLOKOSA-N 354.926 2.713 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C 72437185 YMYSCNMBPJHMEC-UHFFFAOYSA-N 354.406 2.728 0 50 FFAA Cn1c(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc2cc(F)ccc21 174596631 MBNGVQSDNHEIEQ-GFCCVEGCSA-N 360.433 2.936 0 50 FFAA COc1ccc(OC)c(CC(=O)NCc2cnn(-c3cccc(F)c3)c2)c1 220533609 JUKIGZIXPMEMPI-UHFFFAOYSA-N 369.396 2.888 0 50 FFAA COCCc1noc(CNC(=O)c2cccc(Oc3ccccc3)c2)n1 222766416 TUPJPIBHYIYRNU-UHFFFAOYSA-N 353.378 2.981 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1cnc(-c2cccs2)nc1 426734514 NRJPRYUBSLSYTE-UHFFFAOYSA-N 364.434 2.610 0 50 FFAA CCC[C@@]1(CO)CCN(c2nn3c(C(F)(F)F)nnc3c(C)c2C)C1 288822768 HPPWEXQTHZTLST-OAHLLOKOSA-N 357.380 2.749 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(=O)c4ccccc4o3)[C@H]2C1 426604271 JXIAEYXRUCRUNR-YHJVDBJQSA-N 357.406 2.592 0 50 FFAA OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1 20996762 OFXXBNQORFRNFR-MRXNPFEDSA-N 366.889 2.880 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)NC[C@H]2CCN(C)C2)cc1 426581349 WOSFZJGXGDXXRW-GOSISDBHSA-N 368.481 2.754 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)c(F)c1 91708121 NFFNNIWKPMFXDB-FUHWJXTLSA-N 369.440 2.852 0 50 FFAA O=C(c1c(-n2cccc2)sc2c1CCC2)N1CCC[C@@H](OCCO)C1 179392197 PUQIPQFNFIUDSU-CQSZACIVSA-N 360.479 2.641 0 50 FFAA CCn1nncc1C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 331669272 YNYHKFXFSQAURM-AWEZNQCLSA-N 354.332 2.531 0 50 FFAA CN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(O)cc3)N2C1=S 22204790 VGOUBOHLRURATQ-WMZOPIPTSA-N 363.442 2.947 0 50 FFAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N(C)CCC[C@@H]1CCCO1 96166940 FBDIHORMJZQPBZ-OAHLLOKOSA-N 369.487 2.789 0 50 FFAA CCCn1nc(C)c(CNC(=O)Nc2cccc(-n3cncn3)c2)c1C 95519179 QPPSOSDQAFEOOP-UHFFFAOYSA-N 353.430 2.812 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cc(CC(C)C)nn2C)C[C@H]1C(=O)O 91440961 OJDDIVBOIFLCBH-ZWKOTPCHSA-N 369.465 2.867 0 50 FFAA Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCCO)C3)CC2)c1C 91574849 HCFISQLQCRGFNR-UHFFFAOYSA-N 358.482 2.531 0 50 FFAA O=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCc3ccccc32)CC1 97674175 JCEXTKBULWMHCP-UHFFFAOYSA-N 373.460 2.842 0 50 FFAA CC(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 91943126 ZEGMYBBSTXXDKP-DLBZAZTESA-N 366.465 2.657 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)CC1=O 91794314 VXRYJSOBUIDFKT-UHFFFAOYSA-N 356.470 2.708 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1c1ccccc1 91636305 UTLVKYIRCYUKFQ-JKSUJKDBSA-N 363.369 2.733 0 50 FFAA Cc1ccc(CN2CCC(c3nnc(Cn4cccn4)n3C)CC2)s1 91536715 KCKFQZHEEBTUBB-UHFFFAOYSA-N 356.499 2.809 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccc(Cn3ccnc3)o1)C2 95382097 GOAKFMLLZIQATG-CQSZACIVSA-N 367.405 2.514 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)c1ccc2sc(C)nc2c1 97515002 DNLWWDMBPOYJMH-NSHDSACASA-N 359.455 2.724 0 50 FFAA Cc1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)[nH]1 91643614 VTGPXNJDXKHGDN-KRWDZBQOSA-N 374.872 2.689 0 50 FFAA Cc1nc2ccc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)cc2nc1C 91997671 NQUFZGBIXLDBHQ-UHFFFAOYSA-N 358.405 2.962 0 50 FFAA COc1ccc(C(NC(=O)[C@H]2C[C@@H]2C(=O)O)c2ccc(OC)cc2)cc1 299753611 YUFIDRRBKHGYJX-IRXDYDNUSA-N 355.390 2.630 0 50 FFAA CC[C@@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1 534647980 CPHVVMQRUTZOJZ-SFHVURJKSA-N 359.518 2.939 0 50 FFAA CCc1nnc(-c2cccc(NC(=O)N(C)CCn3ccnc3C)c2)[nH]1 299792100 FDKRCJMIUWYURT-UHFFFAOYSA-N 353.430 2.703 0 50 FFAA Cc1cc(C)n2ncc(CN3CC[C@@H](c4ccc(F)cc4)[C@H](O)C3)c2n1 65405640 CDRUQAYMQZBQIK-RBUKOAKNSA-N 354.429 2.836 0 50 FFAA COc1ccccc1-c1ccc(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 299792179 FILRDBZXXICQDV-ROUUACIJSA-N 355.438 2.501 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)CC[C@H](C)N3CCOCC3)no2)cc1 299788950 ZCPBSRJQDOIYIC-INIZCTEOSA-N 357.454 2.767 0 50 FFAA CCCCN1CCn2nc(CNC(=O)NCc3ccc(C)cc3)cc2C1 299792310 DWUNWXJFXYTNBK-UHFFFAOYSA-N 355.486 2.807 0 50 FFAA COCC(=O)Nc1cc(NC(=O)Cc2sc(C)nc2C)ccc1OC 824313423 XZAXAQWIRVVMGD-UHFFFAOYSA-N 363.439 2.535 0 50 FFAA COC[C@@H](NC(=O)c1ccc(-c2[nH]c(C)nc2C)cc1)c1ccnn1C 584895543 AKRJVNZKQZTIFC-MRXNPFEDSA-N 353.426 2.545 0 50 FFAA Cc1csc2nc(Cl)c(CN3CCC(CN4CCOCC4)CC3)n12 670442810 ONXXLEYYSTVWDZ-UHFFFAOYSA-N 368.934 2.902 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)Cc1cscn1)c1cnc2[nH]cnc2c1 1875254829 AVZZKMPMAHQTMB-HNNXBMFYSA-N 363.446 2.998 0 50 FFAA Cc1ccc(NC2CC2)c(C(=O)N[C@H](C)c2ccc(OCC(N)=O)cc2)c1 1875269746 RWFDPYZUDUMVGF-CQSZACIVSA-N 367.449 2.924 0 50 FFAA CC[C@@H](NC(=O)CNC(=O)c1c2ccccc2nn1C)c1ccccc1 1875296948 WBWJKGHNSJYQFZ-MRXNPFEDSA-N 350.422 2.571 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)c2nn(C(C)C)cc2O3)n1C 1875394720 UILWVADXNYHXPE-MRXNPFEDSA-N 372.469 2.602 0 50 FFAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCCN(Cc4cscn4)[C@@H]3C2(C)C)n[nH]1 1875405025 LJPGUYZZSMTCGD-IMJJTQAJSA-N 359.499 2.594 0 50 FFAA CN1CCC2(CCC1=O)CCN(C(=O)C1(N3CCCC3)CCCC1)CC2 952862953 SPIJEVMLXNCMBP-UHFFFAOYSA-N 361.530 2.646 0 50 FFAA Cc1noc(CN2CCCC[C@@H](NCc3cccc4ccoc34)C2=O)n1 888078013 BASGGNNLLNRCNS-MRXNPFEDSA-N 354.410 2.795 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)cc1C 1565505790 ZPIRZTHSKZHIKL-PMACEKPBSA-N 355.434 2.762 0 50 FFAA Cc1ccc(CCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)cc1 1565514416 RDXQWNJJIPNGSJ-PMACEKPBSA-N 354.450 2.813 0 50 FFAA CC(C)n1ncc2cc(CN[C@@H]3CCO[C@@H](c4cncn4C)C3)cnc21 275525105 LJHYRQZNKSBTIK-SJLPKXTDSA-N 354.458 2.756 0 50 FFAA CCS(=O)(=O)Nc1ccc(NC(=O)c2cncc(Cl)c2O)cc1C 170607943 VMMGYPWQLIUDBB-UHFFFAOYSA-N 369.830 2.763 0 50 FFAA C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(CN2CCCC2)cc1 170621621 KSWGHYAFUVPLIP-OAHLLOKOSA-N 371.506 2.779 0 50 FFAA Cc1occc1C(=O)NC1CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 171015547 RTSFOSAJWIXIMK-LJQANCHMSA-N 369.465 2.612 0 50 FFAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CC[C@@H](CO)[C@H](O)C1 191987409 FJSWVXYRQVEFNT-SCLBCKFNSA-N 368.458 2.779 0 50 FFAA O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCc2ncccc21 770227449 HGNGVANFBYIBKC-UHFFFAOYSA-N 371.853 2.997 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N(C)Cc2ccc3nsnc3c2)c1C 1506420278 ANZXKNUVIFODDG-UHFFFAOYSA-N 371.466 2.756 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2cccc(C)c2)cc1OC 1529095236 PTFPFNHCOMDEJF-NHCUHLMSSA-N 357.450 2.947 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3nccn3C3CC3)C1)CC2 1704310334 RSPWMKBDRBPRQD-HXUWFJFHSA-N 352.486 2.554 0 50 FFAA CC(C)(C)OC(=O)COCCOCCOCCOCc1ccccc1 146812855 CPMNHAPGRNEYDX-UHFFFAOYSA-N 354.443 2.595 0 50 FFAA in-vitro CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)c(O)c(OC)c2)C1 5326076 GKIVQCMZVKUVDC-GFCCVEGCSA-N 372.259 2.938 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1OC 11843026 LWJZCNYCCSZSCX-MRXNPFEDSA-N 374.481 2.959 0 50 FFAA O=C(NCc1ccccn1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11936980 OXNDLWRFWDYJKL-MRXNPFEDSA-N 371.868 2.833 0 50 FFAA CN(Cc1cccnc1)C(=O)c1cc(COc2ccc(F)cc2F)[nH]n1 12433901 DQXQABBFGMSVAQ-UHFFFAOYSA-N 358.348 2.934 0 50 FFAA CSCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 12590910 FZHLBDLVSPJSAQ-INIZCTEOSA-N 358.467 2.555 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc2ccccc2n1 14968744 USNJXRDYAFBTGZ-KRWDZBQOSA-N 363.392 2.905 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)N1CCC(O)CC1 15071392 AOTBVBZUTLRJIU-SFHVURJKSA-N 353.418 2.921 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc(OC)cc3OC)CC2)cc1 19773911 QZGLOMRSVCNELI-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1ccc(CN2CCN(CCc3ccccc3)C[C@@H]2CCO)c(F)c1 19839996 UMLQBOZIEJLTRN-FQEVSTJZSA-N 372.484 2.946 0 50 FFAA COc1cccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1 19841521 KUFJVZDBWYVQAF-UHFFFAOYSA-N 353.466 2.842 0 50 FFAA c1cc(N2CCC(N3CC[C@@H](n4ccnc4)C3)CC2)cc(-n2cccn2)c1 200507417 VZMVQBARLYDVCZ-OAQYLSRUSA-N 362.481 2.985 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc2nc[nH]c2c1 1857685565 YACFFBNGWSSRBI-FUHIMQAGSA-N 362.433 2.507 0 50 FFAA CC1(C)[C@H]2CC=C(CN3C[C@@H]4CC[C@H](C3)[C@H]4NC(=O)c3cnc[nH]3)[C@@H]1C2 1857686179 KVFPATILSIRYIS-OREBXVKISA-N 354.498 2.842 0 50 FFAA COc1ccccc1C(=O)N1CCC[C@@]2(CN(CC=C(C)C)CC[C@H]2O)C1 1857686561 BTJHLQLTEONNIW-IFMALSPDSA-N 372.509 2.950 0 50 FFAA Cc1cc(CN2C[C@@H]3[C@H](CNC(=O)CC4CC4)[C@H]4CC[C@]3(C2)O4)oc1C 1857724928 FPICHNPURZWALI-QEUVDIPISA-N 358.482 2.792 0 50 FFAA CC(C)[C@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H](c2ccccc2)O1 1875240423 CPACLVLHFTXCFY-MSOLQXFVSA-N 354.454 2.781 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 219721916 XGNZGVKABNBTPE-MOPGFXCFSA-N 364.493 2.884 0 50 FFAA N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 4899601 BRRPJQYCERAMFI-FQEVSTJZSA-N 374.440 2.897 0 50 FFAA in-vitro CC[C@H](C)n1ncc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1C1CC1 329861498 QHVROLYOEVEARH-DZGCQCFKSA-N 368.485 3.124 0 50 FFAA CCN1CCN(c2ccc(CNc3ncnc4c(F)cccc34)cn2)CC1 240934430 JCACFDQACNBIQQ-UHFFFAOYSA-N 366.444 2.918 0 50 FFAA COC[C@@]1(C)CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)C1 452358819 FSIJAQCQAYPRFK-INIZCTEOSA-N 371.359 2.803 0 50 FFAA COc1ccc(F)c(C(=O)NC[C@H]2Cc3ccccc3N(C)C2)c1OC 373764249 AACFUGBSZFWSSD-CYBMUJFWSA-N 358.413 2.881 0 50 FFAA Cn1cc(-c2nc(C(=O)N3CCO[C@H](c4cccs4)C3)cs2)cn1 161563859 UZHMVCSMWSDTKS-ZDUSSCGKSA-N 360.464 2.819 0 50 FFAA O=C(O)[C@@H]1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1(F)F 2325758930 JVWCQHCIGKUTTE-AWEZNQCLSA-N 360.364 2.543 0 50 FFAA O=C(c1ccc(CCc2ccccc2)cc1)N1CCN[C@@H](c2cn[nH]c2)C1 2325769955 ZXBKGGUVWDXSRU-OAQYLSRUSA-N 360.461 2.982 0 50 FFAA Cc1cccc([C@H](CO)N2CCN(Cc3c[nH]c4cnccc34)CC2)c1 2325788998 ZQBOSOXFKSPHMF-NRFANRHFSA-N 350.466 2.723 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cnn3c2CCC[C@@H]3C)C1 2325792813 NWSYGLHCVVJILP-WFASDCNBSA-N 358.442 2.817 0 50 FFAA CCN1CC[C@@H](N(CCNC(=O)C[C@H]2CCCCC2(C)C)C2CC2)C1=O 2325793712 FFBPTCJQDDKMTQ-SJLPKXTDSA-N 363.546 2.794 0 50 FFAA CO[C@]1(C(F)(F)F)C[C@H](CN[C@@H]2CCN(c3ccccc3F)C2=O)C1 2325797710 NKYXOLHKUCPPNK-KFNAQCHYSA-N 360.351 2.878 0 50 FFAA O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H]1Cc1cccc(F)c1F 2325819080 QNOYCORVCAKHEJ-LSDHHAIUSA-N 359.438 2.871 0 50 FFAA C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](c3ccccc3)(C(F)(F)F)C2)C1 2325828390 GBCQCPNENQDBSW-CXAGYDPISA-N 354.372 2.587 0 50 FFAA CCc1cc(C(=O)Nc2ccc(CCc3nn[nH]n3)cc2)cc2c[nH]nc12 2325869233 DHADUGGSGZGDMD-UHFFFAOYSA-N 361.409 2.676 0 50 FFAA CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 625512 JWAXPMDOAQPNOC-UHFFFAOYSA-N 358.467 2.610 0 50 FFAA COc1cccc(NC(=S)NC(=O)c2cncc(Br)c2)c1 678569 KRFRXGNJRXPBBD-UHFFFAOYSA-N 366.240 2.980 0 50 FFAA O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 1074562 ZZZXMSLRHJTYGL-UHFFFAOYSA-N 372.490 2.834 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3C[C@@H]4CC[C@H](C3)[C@@H]4N)ncnc21 2356147632 GMNFPUQMHOEFFI-HWWDLCQESA-N 356.518 2.998 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@]12CCCN(c1ccc(C)cc1)C2=O 2356150831 BGRBCCOOKHRXJZ-NRFANRHFSA-N 372.465 2.826 0 50 FFAA O=C(c1ccccc1)n1nc2ccc3nn(C(=O)c4ccccc4)nc3c2n1 3202679 SVGKIABGVSBPPY-UHFFFAOYSA-N 368.356 2.553 0 50 FFAA CC(C)[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1 4290280 GBKDRVIAPFAMCN-PMACEKPBSA-N 366.461 2.667 0 50 FFAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2)CC1=O 4998779 CGQOGURMIRMKPG-RYUDHWBXSA-N 369.259 2.579 0 50 FFAA C[C@@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 27639759 HNLDBJMVKYEERT-FSNPWBFUSA-N 372.502 2.670 0 50 FFAA in-vitro COc1ccccc1N1CC[C@H](N2CCN(c3cccc(C)c3)CC2)C1=O 464865584 IFOPEZDATFYSGS-FQEVSTJZSA-N 365.477 2.931 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCS(=O)(=O)CC3)c(C)o2)cc1C 67896248 MUDKHSICFXXAEN-UHFFFAOYSA-N 364.467 2.506 0 50 FFAA Cc1cc(CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc(C)n1 421555147 HLDGLICNHJWOTN-HNNXBMFYSA-N 353.422 2.519 0 50 FFAA COC(=O)c1cc2n(n1)CCN(Cc1nc(-c3ccccc3)oc1C)C2 65383696 JBYSWPGWTNPLCV-UHFFFAOYSA-N 352.394 2.649 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1Cl 67338651 IMSDCXUBBURTNG-CYBMUJFWSA-N 358.891 2.815 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 67817187 KUKOYLCXMVOVHK-INIZCTEOSA-N 362.437 2.844 0 50 FFAA COCCn1nc(C)c(CNC(=O)c2ccc3nc(S)oc3c2)c1C 118780369 BMEFBKPYNNDHNO-UHFFFAOYSA-N 360.439 2.506 0 50 FFAA Cc1cc(N)n(CC(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1 20271292 DPNRUCBFLPFFPF-HNNXBMFYSA-N 356.405 2.543 0 50 FFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cccc(O)c2)C3)cc1 67561236 OJPGSPMTXMENST-UHFFFAOYSA-N 361.401 2.938 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1 67690377 RHWWVSRFSDOHEB-UHFFFAOYSA-N 359.514 2.718 0 50 FFAA COc1ccc(OCc2nc(C(=O)N3CC(N4CCCCC4)C3)co2)cc1 67754752 JAMPLPOFOGXEBA-UHFFFAOYSA-N 371.437 2.573 0 50 FFAA C[C@H](O)C[C@@H]1CCCCN1C[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 252551322 UBWWTEMPVKTDSG-ONSCTEFMSA-N 351.531 2.982 0 50 FFAA CN(C[C@H](O)COc1ccccc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 252569020 VTZVLKQNHIIZNC-WMZOPIPTSA-N 364.486 2.661 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)O 120177831 WSDKWZWWRFFBHV-NEPJUHHUSA-N 360.439 2.672 0 50 FFAA COc1ccc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1-n1cnnn1 120391620 KUWFTLILIJROCW-INIZCTEOSA-N 363.421 2.823 0 50 FFAA Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(c2ccccn2)CC1 2674804 VQZVENRPTYAKPA-QGZVFWFLSA-N 361.873 2.605 0 50 FFAA CC[C@@H](C)NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 33088435 ZOCBQDXVCMDLOF-MRVPVSSYSA-N 353.304 2.931 0 50 FFAA Cc1noc(C2CC2)c1NC(=O)NC1CCN(C2CCN(C)CC2)CC1 122564880 PJZVNXBYULGLIK-UHFFFAOYSA-N 361.490 2.541 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@H]2CCc2cccs2)CC1 77457216 PLHYBBPBQZOIKO-HNNXBMFYSA-N 372.556 2.891 0 50 FFAA CC[C@H]1COCCN1C(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O 77342928 YMHPSHRXFNTPFC-JTQLQIEISA-N 368.355 2.690 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363659303 IBZWVBFIOLSFPN-ZIAGYGMSSA-N 365.905 2.833 0 50 FFAA c1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 72147046 FJAWWNZABWQJHR-VLCRHTCISA-N 363.461 2.873 0 50 FFAA COc1ncnc(OC)c1C(=O)N1CC=C(c2c(F)cccc2F)CC1 364182460 UEOJCJMXNLILJP-UHFFFAOYSA-N 361.348 2.702 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1ccccn1 72406956 JGBXKHCSSWDUDY-IBGZPJMESA-N 362.433 2.935 0 50 FFAA COc1cc2c(cc1CN1CCC[C@H](C(=O)c3ccccn3)C1)OCCO2 216500923 CPQZGTSAKXOTMS-HNNXBMFYSA-N 368.433 2.956 0 50 FFAA Cc1cc2nc(C(=O)N(C)Cc3cccc(-n4cccn4)c3)cc(C)n2n1 77471628 MLCSATABHDOLPJ-UHFFFAOYSA-N 360.421 2.804 0 50 FFAA CN1CC2(CCNCC2)C[C@H]1C(=O)NCc1cc(Cl)ccc1Cl 72430536 IDSAJYGFKKFRGU-HNNXBMFYSA-N 356.297 2.684 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@@H]1c1nccs1 72419404 PFYDCXINIGMBRV-MRXNPFEDSA-N 359.499 2.519 0 50 FFAA CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2ncnn2-c2ccccc2)C1(C)C 332968817 JENHSKKHZQVPMS-KXBFYZLASA-N 357.458 2.612 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCO2)N1CC2(CCC2)[C@H]1C1CCOCC1 333437643 VUIOGQUCAMWBPJ-GOSISDBHSA-N 363.479 2.591 0 50 FFAA Cc1nscc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 262739141 GFKGGKRZKDEOSP-OAHLLOKOSA-N 373.434 2.783 0 50 FFAA Cn1cc(SCC(=O)N(CCO)Cc2nccs2)c2ccccc21 215240374 DLWZRCAOKZUKJJ-UHFFFAOYSA-N 361.492 2.748 0 50 FFAA Cc1cc(=O)c(C(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)cn1C 426401957 POXWNYITGKACRG-IBGZPJMESA-N 367.493 2.868 0 50 FFAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cc(F)c(F)cc1Cl 223585248 QZTLPSVOFZGHDY-FQZNDBAKSA-N 356.800 2.600 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cc(C(C)C)nn3C)[C@H](C)C2=O)cc1 82097961 YPLATYLMQLMOGP-MRXNPFEDSA-N 368.481 2.725 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cc(-c2ccccc2)on1 222983157 IAJBVZBGLXRLKB-IAGOWNOFSA-N 365.389 2.703 0 50 FFAA Cc1cc(-c2ccc(C(=O)NCCc3noc(C4CC4)n3)cc2)cnc1N 426656986 QUKZZQSMDGOMTI-UHFFFAOYSA-N 363.421 2.872 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2cnc(N)c(C)c2)cc1 426544751 JKYBRUSVBOGHLB-ZDUSSCGKSA-N 350.426 2.742 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)N(CC(=O)O)C3CCN(C)CC3)c(C)c2c1 95508062 XWQGWRGPTWVJBY-UHFFFAOYSA-N 357.454 2.714 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 91474803 MXMHTMXCAXGXCZ-UHFFFAOYSA-N 374.445 2.658 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1 95385186 KBVKFDXZHLZALI-SFHVURJKSA-N 368.477 2.915 0 50 FFAA O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccoc2)[C@@H](CCO)C1 91665482 DSAGMUKZEIIIPL-KRWDZBQOSA-N 374.506 2.929 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)CO3)C2)sc1-c1ccccc1 426734187 YBRLDTSNURUCKW-FQEVSTJZSA-N 370.474 2.797 0 50 FFAA O=C(Nc1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95512409 QAALJVXZEMMWQQ-BLLLJJGKSA-N 374.441 2.937 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)C1CCN(Cc2ccco2)CC1 95390830 MNCIJBJRFBEYAM-UHFFFAOYSA-N 372.450 2.920 0 50 FFAA CCc1noc(CN(CC)C(=O)Nc2ccnn2Cc2cccs2)n1 96165378 RZBIZTUPUKXWAP-UHFFFAOYSA-N 360.443 2.992 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(OC)c(F)c1F)C2 95509033 SAFUYWUHYWVGPE-ZDUSSCGKSA-N 363.360 2.850 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)on1 95387069 TWAVRYRLGPHJTJ-UHFFFAOYSA-N 373.501 2.966 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1ccsc1)C2 91908294 BJBXPZJODBQQKM-DLBZAZTESA-N 369.490 2.839 0 50 FFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(n2cnnc2)CC1 97636551 WZJBSGONHWKSSN-SFHVURJKSA-N 371.441 2.705 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(Cc2nc(O)c3sccc3n2)C1 253536788 OSHWLVGBYPRPMC-LBPRGKRZSA-N 354.435 2.887 0 50 FFAA N[C@H]1C[C@H](c2cc(N3CCCN(Cc4ccc(F)cc4)CC3)ncn2)C1 252532820 FGXGQYDYSLUYJM-SAABIXHNSA-N 355.461 2.533 0 50 FFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739519 PQCODHDNXMLPQY-NWDGAFQWSA-N 373.266 2.943 0 50 FFAA CCOCC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2C)CC1 299777045 HYWODOYCOCGHTC-UHFFFAOYSA-N 352.862 2.540 0 50 FFAA COc1ccccc1CN(C(=O)NCCc1nc(C2CC2)no1)C1CC1 584892770 POBWPNKZILLJBF-UHFFFAOYSA-N 356.426 2.872 0 50 FFAA CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2nc(C)c(C)s2)C1 860307649 XUQIMZYBWRNBIS-QLFBSQMISA-N 352.504 2.865 0 50 FFAA Cc1ccc(-c2cc(C(=O)NS(C)(=O)=O)c3cnn(C(C)C)c3n2)cc1 1875390738 FJNVTGSWYDMCFH-UHFFFAOYSA-N 372.450 2.677 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3[C@@H](C[C@H]3Nc3nc4ccc(F)cc4o3)C2)o1 1875332479 UGFUTGRQXWKMTN-ZKYQVNSYSA-N 356.357 2.836 0 50 FFAA c1csc([C@H](CN=c2[nH]c(C3CC3)nc3[nH]ccc23)N2CCOCC2)c1 1875328054 WEIYFQOQKFPNBU-HNNXBMFYSA-N 369.494 2.804 0 50 FFAA CC[C@H](NC(=O)Nc1nnc(-c2ccco2)s1)[C@@H](O)C(F)(F)F 270862383 KIYSSLNUUQJXNR-POYBYMJQSA-N 350.322 2.621 0 50 FFAA C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnc(O)c(Br)c2)C1 408221613 JHHQJNODMKSPLT-MGPLVRAMSA-N 371.275 2.857 0 50 FFAA Cc1c(NC(=O)Cn2cnc3sccc3c2=O)cnn1C1CCCC1 278723201 XRYABESRJLRZOG-UHFFFAOYSA-N 357.439 2.717 0 50 FFAA C[C@@H](CC(=O)Nc1cccc(N2CCCCC2=O)c1)N1CCCCC1=O 170607918 MKRHGWPXBVDSEV-HNNXBMFYSA-N 357.454 2.933 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(C3CCCC3)CC2)OCC(=O)N1C 1529195967 TWWDOKYKXXCYEU-MOPGFXCFSA-N 356.466 2.732 0 50 FFAA CCCc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)cs1 219584295 NUAKQLRNDVUNLK-KGLIPLIRSA-N 357.483 2.627 0 50 FFAA OC[C@]1(O)CCOC2(CCN(Cc3nc(-c4ccccc4)cs3)CC2)C1 1704298542 HJECPOQQQDHPDE-IBGZPJMESA-N 374.506 2.679 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)o1 1775982978 FUONPKSCCFWSBW-GOSISDBHSA-N 370.482 2.762 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccncc1 12297930 BUQBZMKLRYLHSI-SFHVURJKSA-N 361.405 2.511 0 50 FFAA Cn1cc(/C=C/C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 12713832 SELYFHRKUHPOMS-AHKGRUIUSA-N 358.873 2.868 0 50 FFAA CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C)ccc2C)Oc2ccccc21 13677129 LYQNLMYUMVUUKM-GOSISDBHSA-N 374.462 2.859 0 50 FFAA O=C1CC[C@@](CCC(=O)N2CCOc3ccccc3C2)(Cc2ccco2)N1 15005697 UMCDRBUNJHQCJM-OAQYLSRUSA-N 368.433 2.672 0 50 FFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)CC=Cc3ccc(F)cc3)C2)n1 1857532304 JYNLBBACQAOOQQ-ZMSDIMECSA-N 359.401 2.591 0 50 FFAA Cc1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)cc(O)n1 1857673992 WIXBAIZEWMKRKL-UHFFFAOYSA-N 362.433 2.737 0 50 FFAA Cc1cc(C)c(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)c(-n2cccn2)c1 1857685149 DAWJOTJLOVFMKK-GOSISDBHSA-N 369.465 2.802 0 50 FFAA C/C=C/CCCC(=O)NC[C@H]1[C@H]2CN(Cc3ccncc3)C[C@]23CC[C@H]1O3 1857737782 CNAVJJZWYHKIPS-MDEZRWAPSA-N 369.509 2.924 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)C2Cc3ccccc3C2)[C@H]1c1ccccc1 1857738685 UADJDVVFXNRNEC-VXKWHMMOSA-N 364.489 2.932 0 50 FFAA C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@@H](CNc2ccccn2)C1 246061126 AIGYWSHSLOTRDB-HOTGVXAUSA-N 356.445 2.659 0 50 FFAA O=C(Nc1ccc(OCCc2ccccc2)nc1)N1CCC[C@@H](CO)C1 151712241 OPRSFNSJJCGMDZ-QGZVFWFLSA-N 355.438 2.939 0 50 FFAA Cc1nc(C)c(C(=O)N(CC(=O)O)Cc2cccc(Br)c2)o1 262370426 ILTJVKTWFOLJTO-UHFFFAOYSA-N 367.199 2.781 0 50 FFAA O=C(O)C1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 263483643 OQYBUPSLEMWSIR-BCLQGDPASA-N 350.390 2.552 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N=c1[nH][nH]cc1-c1ccccc1)CC(=O)N2 2100480246 BFTGOEURJWZPLZ-OAHLLOKOSA-N 362.389 2.572 0 50 FFAA Cc1cc(O)c2nc(/C=C/c3cnn([C@H]4CCS(=O)(=O)C4)c3)ccc2c1 2325741785 VFQGFOYYNDUCLR-WVMJFEGXSA-N 369.446 2.975 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(N2CCNCC2)cn1 2325755599 RYILSYHDEDBHSM-UHFFFAOYSA-N 367.428 2.601 0 50 FFAA CCCC1CCC(NC(=O)NC[C@@H]2CC23CCS(=O)(=O)CC3)CC1 2325795857 ALHKCFUDTURKMK-PCKAHOCUSA-N 356.532 2.859 0 50 FFAA CCc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325811919 NIMRBEMNZAPRMO-OAHLLOKOSA-N 354.454 2.740 0 50 FFAA COc1cccc(Cl)c1[C@@H](O)CNC(=O)c1n[nH]c2c(C)cccc12 2325878371 MXTABTAYCMJAOR-ZDUSSCGKSA-N 359.813 2.997 0 50 FFAA CN1CCn2nc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)cc2C1 880814396 VPJNBJIKDKOCLR-OAHLLOKOSA-N 357.433 2.564 0 50 FFAA COc1cc(F)ccc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 115125931 AHUHNTJKBNMKAA-UHFFFAOYSA-N 358.369 2.525 0 50 FFAA Cc1cc(Br)ccc1NC(=O)CSc1nnc(N)s1 691906 HDUKGWHJQNLVKC-UHFFFAOYSA-N 359.274 2.922 0 50 FFAA Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 800956 GKIQGKNRRSDJOA-UHFFFAOYSA-N 368.418 2.838 0 50 FFAA COCCN1CCC[C@]2(CCCN2C(=O)c2cc(F)ccc2Cl)C1=O 2356166590 FCBVHPCITYYPFF-SFHVURJKSA-N 368.836 2.723 0 50 FFAA CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cc(OC)ccc1OC 8607781 MJQLJQFLCXEJNE-SFHVURJKSA-N 368.433 2.688 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N[C@@H]2CCc3ncnn3C2)c1 135487397 QLTDHBXQXMNQSG-OAHLLOKOSA-N 363.421 2.775 0 50 FFAA O[C@@H]1CCN(c2ccnc(N3CCc4[nH]c5ccc(Cl)cc5c4C3)n2)C1 108193489 QRNQUVHICBEZES-CYBMUJFWSA-N 369.856 2.745 0 50 FFAA CC(C)c1cncnc1N1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 107403832 APUMXNBEAUWSSU-OAQYLSRUSA-N 371.529 2.513 0 50 FFAA CCn1c([C@@H]2CCCN(C(=O)c3cccc4cc(C)oc34)C2)nn(C)c1=O 67783776 GTEIVDHTCQBWEU-OAHLLOKOSA-N 368.437 2.676 0 50 FFAA CC(C)[C@@H](O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67758025 HIHWBQMTQHPLED-LJQANCHMSA-N 368.412 2.911 0 50 FFAA Cc1nc2ncccn2c1C(=O)N(C[C@@H]1COc2ccccc2O1)C(C)C 65398025 PGZVNNUDUAQMGK-OAHLLOKOSA-N 366.421 2.728 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN(C)Cc1nc2ccccc2n1C 65393862 AZKYDYCESARMRT-UHFFFAOYSA-N 365.437 2.602 0 50 FFAA CN(C(=O)CSCC(=O)c1ccc(Cl)cc1)[C@H]1CN2CCC1CC2 474688596 AWJGSRCNXIIJLB-INIZCTEOSA-N 366.914 2.809 0 50 FFAA CC(C)c1nnc(CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3)n2)o1 120898010 MBMZFGQAHPZOAH-UHFFFAOYSA-N 364.402 2.633 0 50 FFAA COc1ccccc1-c1ncc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)cn1 67966203 QMZFBJLFYBDDSI-UHFFFAOYSA-N 358.361 2.865 0 50 FFAA CCc1cc(C)c(C(=O)N2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)o1 331691323 YRXUSJUVYCIFJW-GFCCVEGCSA-N 372.347 2.518 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=S)cc1 2790161 QZAHJFGCZPGQRJ-QGZVFWFLSA-N 366.442 2.922 0 50 FFAA CN(Cc1cccc2c[nH]nc12)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328637374 OPJKIVDJQQNNED-FXAWDEMLSA-N 352.486 2.811 0 50 FFAA CNC(=O)c1ccnc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c1 77490080 NVWBWDSGMIIXEI-OAQYLSRUSA-N 370.497 2.593 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(CNc2ncnc3c2CCCC3)c1 152134186 DSILANHBTJJARE-QGZVFWFLSA-N 366.465 2.876 0 50 FFAA O=C(CCn1cnc2ccccc21)N[C@H]1CC[C@H]1NC1Cc2ccccc2C1 72436254 VKKDJEIPJCSKRY-UXHICEINSA-N 374.488 2.831 0 50 FFAA O=C1COc2cc(C(=O)Nc3ccn(-c4ncccc4Cl)n3)ccc2N1 126483105 AGTHOTGIMMDOFI-UHFFFAOYSA-N 369.768 2.504 0 50 FFAA COc1ccccc1C1(CNC(=O)N2CC[C@@H](n3cncn3)C2)CCCC1 363770625 BOPPCKNWJMTAJB-MRXNPFEDSA-N 369.469 2.755 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 368856084 VKPABVVKPPWEIK-QGZVFWFLSA-N 353.426 2.663 0 50 FFAA O=C([C@H]1CCc2cn[nH]c2C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 156626458 ZUVLGZWFWRBMQT-YOEHRIQHSA-N 362.437 2.663 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 159015159 BQPDQORTTGIUFX-JSGCOSHPSA-N 374.418 2.674 0 50 FFAA Cn1nnc2c1C[C@@H](C(=O)Nc1nc3ccccc3n1-c1ccccc1)CC2 377729428 VNFSVKRPPVWGNO-AWEZNQCLSA-N 372.432 2.898 0 50 FFAA COc1cccc2c1CCN(C(=O)NC[C@H]1CCCn3cc(C)nc31)CC2 373905160 KHAUYKQTYBXSJC-QGZVFWFLSA-N 368.481 2.888 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCC(c2ncc[nH]2)CC1 72463060 XNKRCZTWZVWNHL-UHFFFAOYSA-N 356.817 2.664 0 50 FFAA O=S(=O)(c1cncc(F)c1)N1CC2(CCOCC2)[C@H]1c1ccccc1 333923208 RZYPMWCLVDJGES-QGZVFWFLSA-N 362.426 2.763 0 50 FFAA COc1cccc([C@H]2CN(Cc3cccnc3N)[C@@H]3C4CCN(CC4)[C@H]23)c1 72164221 OADCKFHCIQWXTD-NJDAHSKKSA-N 364.493 2.735 0 50 FFAA O=c1n(Cc2cccc(F)c2)nc([C@H]2CCCNC2)n1-c1ccccc1 71763801 LQWFMXCWEYOHOI-INIZCTEOSA-N 352.413 2.688 0 50 FFAA COc1ccc2cc([C@H]3CN(C(=O)CN4CCCC4)CCO3)ccc2c1 71415617 ULWGGQCBOAYYDP-HXUWFJFHSA-N 354.450 2.844 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 77287006 IAUWWVUWZLZOCZ-FQEVSTJZSA-N 358.486 2.617 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c(=O)[nH]1 71614043 QEFJMUPACIGMAY-AWEZNQCLSA-N 361.392 2.842 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc2c(s1)CCOC2 130660000 WNAFVPKZYYRPQW-CQSZACIVSA-N 374.437 2.885 0 50 FFAA CSc1nc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)cs1 223680270 ODBWYYCOGJAEKT-UHFFFAOYSA-N 362.402 2.955 0 50 FFAA COC(=O)CCCC(=O)Nc1ccc(C)c(I)c1 461695940 HFGBSNNKYQUUHA-UHFFFAOYSA-N 361.179 2.881 0 50 FFAA CS(=O)(=O)Nc1cccc2c1CCN(C(=O)Nc1ccsc1)C2 177707431 IQZIMNBCFSQTRB-UHFFFAOYSA-N 351.453 2.710 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1ccn(C2CCCC2)n1 177815789 OUYXRLPBYAKUSA-UHFFFAOYSA-N 353.470 2.788 0 50 FFAA COc1cc(C)ccc1OCCSc1nnc([C@@H]2CCCNC2)n1C 426494446 NMUKZFDYZQVQQF-CQSZACIVSA-N 362.499 2.770 0 50 FFAA Nc1ncc(-c2cccc(C(=O)N3CCCC[C@H]3CN3CCCC3)c2)cn1 426580622 BAKOTZCGUSXXIC-IBGZPJMESA-N 365.481 2.816 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CCO1 178280882 LQRWIHVELUZYMC-LJQANCHMSA-N 362.385 2.827 0 50 FFAA COc1cc(C)ccc1C(=O)N1CCN(c2ccccc2OC)C(=O)C1 82107284 FGSQOGKFZCFONF-UHFFFAOYSA-N 354.406 2.501 0 50 FFAA CCc1ncc(CN2CCC(Oc3ccccc3OC)(C(=O)O)CC2)cn1 82148010 LJYTYOZGFZEEDE-UHFFFAOYSA-N 371.437 2.546 0 50 FFAA Cc1ccc2c(CN3CCN(CCc4ccccn4)CC3)cc(=O)oc2c1 20713741 IGOKYVVTNZGPOZ-UHFFFAOYSA-N 363.461 2.857 0 50 FFAA biogenic Cc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 91906364 UMYVHUBYNULETG-DOTOQJQBSA-N 367.424 2.906 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 179965814 LBLIQCMEZHABOP-UONOGXRCSA-N 352.312 2.754 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1ccccc1C)N(C)C)CC2 91725212 XVLTVBQGCSURSW-HXUWFJFHSA-N 371.525 2.849 0 50 FFAA NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 95519448 KOXHOBXRAYATAK-AWEZNQCLSA-N 368.462 2.603 0 50 FFAA COC(=O)CCCN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91964894 BJOAFAQYPPEARJ-WEVVVXLNSA-N 370.493 2.968 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)cc1Cl)C2 95364335 LHEUNCMBDBWDSB-XJKSGUPXSA-N 370.324 2.978 0 50 FFAA O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc2ncccn2n1 97756346 JNLYVSPKGHENLI-VQTJNVASSA-N 358.401 2.934 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 97463616 BTCKBVDFDVFBFV-UHFFFAOYSA-N 354.237 2.985 0 50 FFAA Cc1nc(Cl)ccc1NC(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 96148659 YKTNHRUAJDBKAH-AWEZNQCLSA-N 373.844 2.751 0 50 FFAA O=C1CC2(CCN(c3ncccn3)CC2)CN1Cc1cc(F)cc(F)c1 91595760 UITBFLNDCYTIKZ-UHFFFAOYSA-N 358.392 2.774 0 50 FFAA CSc1nccc(N2CCC(NC[C@@H]3COc4ccccc4O3)CC2)n1 95503240 QNHIFIHMRZDJHK-OAHLLOKOSA-N 372.494 2.597 0 50 FFAA CSCCc1nc(CCC(=O)N2CCCCCC2)n(-c2ccccn2)n1 96139476 SEPIORLVOXGCET-UHFFFAOYSA-N 373.526 2.903 0 50 FFAA CN(CCC(=O)Nc1ccsc1C(=O)O)Cc1cnc2ccccn12 244716133 LIZTWCHDUDOULW-UHFFFAOYSA-N 358.423 2.555 0 50 FFAA O=S(=O)(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1c(F)cccc1F 244898799 ZBUOVPSCLAJZKS-ZQIUZPCESA-N 367.417 2.625 0 50 FFAA O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1cc(Cl)cnc1O 253535246 IWRSXMZPTZBKCR-BGFNQPPGSA-N 368.767 2.961 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2cc3ccc(F)cc3nc2O)C1 534665524 QRYFEEPUQMREPT-CYBMUJFWSA-N 372.444 2.848 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CCOc3ccccc3C2)nc2c1CCCC2 299766375 DAZRZIWSXGXVGH-KRWDZBQOSA-N 365.477 2.964 0 50 FFAA CSCc1ccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)o1 299788024 VOZRVTGCZPLKPG-UHFFFAOYSA-N 351.472 2.553 0 50 FFAA CCn1nccc1CNc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 475517151 QZIJYUXXECYGSN-UHFFFAOYSA-N 371.466 2.852 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N(C)Cc3noc(C(C)C)n3)cc2)[nH]1 299770166 PQBXETYANBMAJM-UHFFFAOYSA-N 355.402 2.950 0 50 FFAA O=C(COC[C@@H]1CCCO1)NCc1cc(-c2ccc(Cl)cc2)on1 299786054 QXEZXKGFWWHFOV-HNNXBMFYSA-N 350.802 2.807 0 50 FFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](c1cccnc1)N1CCOCC1 827654435 JDSPRNQNCMQVGI-GOSISDBHSA-N 374.872 2.813 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)NCCc2cccc(OCCC(C)C)c2)C1 584885068 NRAPYTIHIIQCRM-SFHVURJKSA-N 361.486 2.574 0 50 FFAA O=C(Nc1csc(-c2ccncc2)n1)[C@H]1CC(=O)N(C2CCCC2)C1 185441114 LRYOPUCVIBXYEZ-ZDUSSCGKSA-N 356.451 2.935 0 50 FFAA Cn1c(=O)cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c2ccccc21 670440794 KKFIPMAMDMPQLQ-LJQANCHMSA-N 372.428 2.906 0 50 FFAA CC(=O)N1CCC2(CCc3ccc(OC[C@H]4C[N@@]4CC4CC4)cc3O2)CC1 1875385039 LKBVPCVMLYEBCZ-NTKDMRAZSA-N 370.493 2.866 0 50 FFAA C=CC(=O)N[C@@H](CNS(=O)(=O)c1cc(C)sc1C)c1ccccc1 1875383044 DKNMUONUOVJEJS-HNNXBMFYSA-N 364.492 2.687 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2)C1 1875371275 VUKQVDOWAZZGTH-DLBZAZTESA-N 373.472 2.644 0 50 FFAA FC(F)COCCN1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952893732 VIBBZASMTYMDIA-ZDUSSCGKSA-N 355.307 2.735 0 50 FFAA Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c2cnn(C3CCCC3)c2n1 952987021 NDQLMEMPRWGEPA-AWEZNQCLSA-N 369.469 2.594 0 50 FFAA COc1cc(-c2[nH]c(O)nc2-c2c(O)oc3ccccc3c2=O)ccc1O 888090138 DYTRPXULNXJBJJ-UHFFFAOYSA-N 366.329 2.976 0 50 FFAA C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)c1cc(Cl)cc2c1OCC2 886695665 VVYMTBFRASQPNG-SECBINFHSA-N 369.826 2.762 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)Cc1c(F)ccc(F)c1F 1565511120 TVFNXQYMDCZFGJ-HOTGVXAUSA-N 357.372 2.903 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cc(F)c(F)cc1Cl 1565529675 QZTLPSVOFZGHDY-MQEKWNBNSA-N 356.800 2.600 0 50 FFAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 279050845 RMLZNCHFOMKYPT-YXJHDRRASA-N 371.441 2.708 0 50 FFAA CCOc1ccc(CC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 170601483 DMUHORDQQHWWHU-UHFFFAOYSA-N 365.437 2.913 0 50 FFAA Cc1ccc(CC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)cn1 190530281 LKVKQQQEDVGOBS-QGZVFWFLSA-N 358.511 2.678 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCCN2C)cc1Cl 1506419659 UWSKGEZFENWCNL-JTQLQIEISA-N 367.298 2.765 0 50 FFAA CCn1ccnc1CN1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 1704344852 PHCLTLANWXXLQC-UHFFFAOYSA-N 371.481 2.984 0 50 FFAA COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F 221820524 VFNHDIWHQGVWLL-UHFFFAOYSA-N 360.414 2.968 0 50 FFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2cccnc2)cc1 11791412 GUMVMUJWXHWPJQ-IBGZPJMESA-N 367.449 2.539 0 50 FFAA CSCCC(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 11814024 QUJXCVVZBJGFER-AWEZNQCLSA-N 363.870 2.970 0 50 FFAA CSCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12578389 IGHJVQZKJRFYHV-SFHVURJKSA-N 350.459 2.530 0 50 FFAA COC(=O)[C@@H](C)NC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 12596449 RYAHNELXFUIHIL-SECBINFHSA-N 372.299 2.564 0 50 FFAA CN(C)C(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 13571418 NWYWBTIZYZLNDW-VIFPVBQESA-N 369.705 2.941 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)no1 13745704 GVADDLCHASPHEU-LBPRGKRZSA-N 363.439 2.656 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)c2coc(COc3cccc(F)c3F)n2)n1 15069826 JIVSCNXHRLEHFP-UHFFFAOYSA-N 362.336 2.836 0 50 FFAA CC(C)CN1CCC([C@H]2CCN(S(=O)(=O)CC(F)(F)F)C2)CC1 15072483 CVQVEBSPWBQVCS-AWEZNQCLSA-N 356.454 2.568 0 50 FFAA CCCCOCCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 16648415 ODRZFHXDVSCIBK-UHFFFAOYSA-N 352.500 2.923 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@@H](NCc2cccs2)CNC3=O)cc1 169754450 WZTSUDCCBLPIRP-QGZVFWFLSA-N 354.435 2.652 0 50 FFAA CCN(CC)C(=O)NC1CCN(C(=O)COc2ccc(C)cc2C)CC1 169892368 ZAHSKQCASYDSPQ-UHFFFAOYSA-N 361.486 2.725 0 50 FFAA Cc1cc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)ncn1 1857674063 ZEOWEGHEOFRNGP-OAQYLSRUSA-N 374.448 2.827 0 50 FFAA CN1CCn2nc(-c3nc(-c4ccccc4)nn3C(C)(C)C)cc2C1=O 1857677791 DKIFNGHKHOKYLG-UHFFFAOYSA-N 350.426 2.649 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H]1CCn2nccc2C1 1857710216 MJTNIMCREXPGQZ-OAHLLOKOSA-N 367.428 2.704 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC12CCOCC2 238124656 QRYDQSBHPKSZMO-CYBMUJFWSA-N 353.365 2.585 0 50 FFAA Cn1nccc1S(=O)(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 462696567 UGPOHHOWYXIWCJ-SFHVURJKSA-N 353.447 2.757 0 50 FFAA Cc1nc([C@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)n[nH]1 366602042 BVAGSXIUZVRULB-QGZVFWFLSA-N 350.426 2.725 0 50 FFAA CCn1nc(C)c(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1C 368351606 IPPBLRSPYHZKRK-KRWDZBQOSA-N 370.501 2.744 0 50 FFAA COCc1nsc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 266880137 WWWFRYXOJYHGCJ-UHFFFAOYSA-N 363.439 2.574 0 50 FFAA C[C@@H]1Cc2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)ccc2CN1 2325814023 DUZIRYWWEWOHEG-VXGBXAGGSA-N 351.406 2.693 0 50 FFAA Cc1cccc2ccc(C(=O)NCc3cc4c(nc3O)CCN(C)C4)nc12 2325820847 PQRYUKCPFLEIID-UHFFFAOYSA-N 362.433 2.562 0 50 FFAA Cc1cc(F)ccc1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842712 GLYRNSCLDCFEFH-AWEZNQCLSA-N 358.417 2.625 0 50 FFAA O=C(O)c1ccc(O)cc1NS(=O)(=O)c1cccc2scnc12 2325852295 ZGBZHEVHQKLFEP-UHFFFAOYSA-N 350.377 2.501 0 50 FFAA CN(C[C@H]1CCCN1C(=O)C1CC1)C(=O)c1ccc2c(c1)CCCCN2 2325867184 NQPSUQRHULBVLI-GOSISDBHSA-N 355.482 2.908 0 50 FFAA CCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 628241 RULSJTIMQMXYJE-UHFFFAOYSA-N 362.451 2.701 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OCC)c1 803051 WSSHEALBTWXNOJ-ZDUSSCGKSA-N 354.790 2.635 0 50 FFAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 915141 WXHWJVYKOCEMJS-FQEVSTJZSA-N 355.390 2.531 0 50 FFAA COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1Cl 1065509 MIOFASCQRPPSDL-LLVKDONJSA-N 368.842 2.654 0 50 FFAA CCCOc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 2175392 VRWQKFRBVIJTLY-UHFFFAOYSA-N 361.486 2.839 0 50 FFAA COc1ccc2[nH]nc(CN3CCC[C@]34CCCN(C3CC3)C4=O)c2c1 2356151830 BRLUJJWRGHUGSG-HXUWFJFHSA-N 354.454 2.691 0 50 FFAA Cc1cccc(CCN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)n1 2356152234 FCKBMIUQBAIOGZ-QFIPXVFZSA-N 364.493 2.985 0 50 FFAA CCNC(=S)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1 2774929 RLZGHBUUOIGBBU-UHFFFAOYSA-N 350.316 2.933 0 50 FFAA CCOc1ccc(Cc2nnc(SCC(N)=O)n2-c2ccccc2)cc1 2861244 VYAZWTWGYVYQAD-UHFFFAOYSA-N 368.462 2.834 0 50 FFAA COc1nc(C(=O)Nc2nc([C@@H](C)Oc3ccccc3)cs2)nn1C 2356161821 LMPPASFCZVAKJH-SNVBAGLBSA-N 359.411 2.673 0 50 FFAA CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 3875028 LOGJQOUIVKBFGH-YBEGLDIGSA-N 371.462 2.637 0 50 FFAA aggregator,in-vivo Clc1ncc(I)cc1I 4237574 FVCKBKBSDFLXGY-UHFFFAOYSA-N 365.339 2.944 0 50 FFAA Cc1cnc(C)c(N2CCN(Cc3ccc4c(C)cc(=O)oc4c3)CC2)n1 67742682 DKPJJSZFVKUFSH-UHFFFAOYSA-N 364.449 2.830 0 50 FFAA CCN1CCC(CC(=O)N2CCN(c3ccccc3OC)C[C@H]2C)CC1 65494668 WARSBNNBISRBBW-QGZVFWFLSA-N 359.514 2.854 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@@H]2CCCOC2)nc1 67689194 RRTRPTSOXKEWFS-QGZVFWFLSA-N 371.485 2.813 0 50 FFAA COCc1noc([C@H](C)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 331826063 NFNVTAJIMQJHEH-UWVGGRQHSA-N 359.352 2.899 0 50 FFAA Cc1cc(-n2nc(C)cc2NC(=O)c2cc(C(C)(C)C)nn2C)nc(C)n1 150694598 DUQLHYZHESTETD-UHFFFAOYSA-N 367.457 2.871 0 50 FFAA CCc1cc(N2CCN(Cc3ncccc3C)CC2)n2nc(C)c(C)c2n1 72422939 OLVFGTZTGGUUFM-UHFFFAOYSA-N 364.497 2.934 0 50 FFAA CCCn1ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1C 215255593 WCXLUBDWDYSDCN-UHFFFAOYSA-N 367.453 2.722 0 50 FFAA COc1ccccc1N1CCN(c2ncnc3c2c(C)nn3C)CC1(C)C 72422097 ZGFUIYUGDNBLNG-UHFFFAOYSA-N 366.469 2.786 0 50 FFAA NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 238037953 CQNJKBXKMZTADO-GZBFAFLISA-N 370.419 2.560 0 50 FFAA CCCNc1ncc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@@H]2C)cn1 72149956 ARBWTRZLWQOLJB-HNNXBMFYSA-N 369.469 2.544 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(CC(C)C)nn2C)[C@@H](C)C1 72480050 UDYJVFJSSHELGG-INIZCTEOSA-N 370.497 2.978 0 50 FFAA CCc1cc(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)ncn1 72418102 JJLAITAZOWQRKM-INIZCTEOSA-N 369.517 2.537 0 50 FFAA COC[C@@H]1CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 215721420 FCHCBWWLHAJQPU-HXUWFJFHSA-N 359.558 2.909 0 50 FFAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 378390916 VXKUQYJFMPSGGD-WOJBJXKFSA-N 356.441 2.982 0 50 FFAA CC(C)N(CCc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C 72163812 YJJMSDNWTRHGCM-IBGZPJMESA-N 373.541 2.703 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCCO[C@H](CN2CCCCC2)C1 216396620 CLYFIEOJKRIANU-GOSISDBHSA-N 355.482 2.814 0 50 FFAA CC(=O)OC[C@@H](NC(=O)c1ccccc1)[C@H](OC(C)=O)c1ccccc1 71769203 SGBVBMQGCSQXIP-RTBURBONSA-N 355.390 2.653 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(Cc2ccccc2)no1 241132842 JMDDUIYJBJISPB-ZACQAIPSSA-N 355.438 2.967 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCN(c2cc(C)cc(C)c2)C(=O)C1 77407107 GBSFZOWPCJYXKZ-UHFFFAOYSA-N 356.397 2.940 0 50 FFAA Cc1ccc(CNC(=O)c2cccc(C(=O)O)c2)c(O[C@@H]2CCOC2)c1 262711970 BUDXEPUNOZLTHD-QGZVFWFLSA-N 355.390 2.791 0 50 FFAA CCCc1cc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n(C)n1 77338395 BYPGHEDEBPSGMU-CYBMUJFWSA-N 360.845 2.561 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)n(C)n1 85479486 AAQTZKXCBARIRU-GOSISDBHSA-N 351.454 2.986 0 50 FFAA CCn1cc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)c(C)n1 82097705 QCCCQYFGVXRWQB-UHFFFAOYSA-N 373.482 2.550 0 50 FFAA CCN(Cc1noc(C2CC2)n1)C(=O)NCCN1CCCc2ccccc21 426518697 FDURJTXPXGKDEO-UHFFFAOYSA-N 369.469 2.931 0 50 FFAA Cc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1=O 82109685 YFPKBOKOOSVJCY-UHFFFAOYSA-N 358.825 2.903 0 50 FFAA CNC(=O)c1ccc(-c2ccc(C(=O)N3CCC4(CCO4)CC3)cc2)o1 426376588 WUOUFGLNORVAON-UHFFFAOYSA-N 354.406 2.701 0 50 FFAA CC(C)NS(=O)(=O)c1ccc2c(c1)nc(-c1nccn1C)n2C(C)C 82137595 IPPPLABQTLDBOX-UHFFFAOYSA-N 361.471 2.704 0 50 FFAA COc1cccnc1-c1ccc(C(=O)NCCCc2cnn(C)c2)cc1 426552129 VAUDLSPQAGXWGK-UHFFFAOYSA-N 350.422 2.853 0 50 FFAA NC(=O)c1cncc(N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)n1 426693693 HQJFGLTXHBDMQF-NRFANRHFSA-N 371.529 2.838 0 50 FFAA CC(C)OCCNC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 426409190 WDDPDAHEOARYGK-UHFFFAOYSA-N 361.463 2.912 0 50 FFAA Cc1nn2c(ncc3c(=O)n(N(C)C)ccc32)c1-c1ccc(Cl)cc1 40397677 PINDBYHCEMGEHA-UHFFFAOYSA-N 353.813 2.871 0 50 FFAA Cc1csc(CN(C)C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)n1 96138029 PUMNQNGOJZSPJV-UHFFFAOYSA-N 357.443 2.614 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)N1CCCN(CCCc2ccccc2)CC1 426597270 RQLPEGBOBNXQOR-MXVIHJGJSA-N 359.514 2.640 0 50 FFAA CSc1ccccc1[C@H](C(=O)O)N1CCN(Cc2ccccn2)CC1 95360128 ONLWQBKYCJLFDQ-GOSISDBHSA-N 357.479 2.747 0 50 FFAA Cc1nc(CSc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1 91817498 CGHWJMZYALLUED-UHFFFAOYSA-N 360.464 2.515 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1ccc(-c2nncn2C)cc1 96159791 XTCUBGBRRAYPNA-UHFFFAOYSA-N 353.430 2.656 0 50 FFAA Cc1nc2cc(CNC(=O)[C@@H]3CCC(=O)N(C4CCCC4)C3)ccc2n1C 91906879 RYPARACGOHCMSC-MRXNPFEDSA-N 368.481 2.679 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)N(C)CCC[C@H]3CCCO3)c2)n1 96164391 WVYITMSWQWXXLW-INIZCTEOSA-N 358.446 2.783 0 50 FFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C(C)(C)N)cc1 91985723 KCQUOTCAZPVWPK-INIZCTEOSA-N 356.470 2.748 0 50 FFAA COc1ccccc1NC(=O)CN1CCC2(CC1)c1ccccc1C[C@H]2O 244874262 WXPBCGJFLDYQBX-HXUWFJFHSA-N 366.461 2.585 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 182172365 DSULTDUZMZYSRE-OAHLLOKOSA-N 354.498 2.953 0 50 FFAA COc1cccc([C@@H]2[C@@H](C(=O)Nc3ccncc3)CC(=O)N2C2CC2)c1 183209979 KHTATHVJZDYKJN-PKOBYXMFSA-N 351.406 2.781 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)CCc3n[nH]c(C)c3C)nc2c1 252503700 VFSUYWLIGXHMMM-UHFFFAOYSA-N 355.442 2.545 0 50 FFAA Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)NC[C@](C)(O)CCCO)cc1 534579862 FUFYNUZJUINLEV-HXUWFJFHSA-N 357.454 2.516 0 50 FFAA O=C(NCCCc1nc2ccc(F)cc2[nH]1)N1CCC[C@@H]1Cn1cccn1 534649920 RHCRACLXYZLIRO-OAHLLOKOSA-N 370.432 2.705 0 50 FFAA COCCN(C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 48306492 HCGDBZOUUXQRDP-UHFFFAOYSA-N 350.422 2.577 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N2CC[C@H](n3nc(C)cc3C)C2)c1 299801813 YFMLIZQETRAPHQ-HNNXBMFYSA-N 372.425 2.774 0 50 FFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)C2CC2)C3)cc1 299790545 BRONZJSXSGRHMN-MRXNPFEDSA-N 371.458 2.587 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)N3CC[C@H](c4nc(C)no4)C3)nc2c1 299802774 PJLUKYPSZHSCFE-LBPRGKRZSA-N 357.439 2.671 0 50 FFAA CC(C)(C)c1cc(CN2CCC[C@@H](CNC(=O)c3cscn3)C2)[nH]n1 828210176 WPCZNGQOLRUNEP-ZDUSSCGKSA-N 361.515 2.806 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3nnc(C)c4ccccc34)c2)C1 584895622 QCCXXUMQWJYUAX-GOSISDBHSA-N 374.444 2.956 0 50 FFAA Cn1cc([C@@H]2N(C(=O)c3cccc4c3ccn4C)CC23CCOCC3)cn1 1875267117 ATCKMHPSRKWVDB-IBGZPJMESA-N 364.449 2.906 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3CN3CCCC3)n[nH]c21 1875392669 NCTMTDAQXJJVHU-CABCVRRESA-N 368.481 2.958 0 50 FFAA Cc1nc[nH]c1C(=O)N1C[C@@H](N=c2[nH]c3ccccc3o2)CC(C)(C)C1 1875407910 KAWAUBGRCUGABW-ZDUSSCGKSA-N 353.426 2.634 0 50 FFAA Cc1ccccc1CC(=O)N[C@H]1CCOC[C@@H]1OCc1c(C)noc1C 1565514481 RBIARJHRHQSXLJ-OALUTQOASA-N 358.438 2.633 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)NCc1ccccc1 1565507396 LODUOXRIFBPNIU-MSOLQXFVSA-N 364.449 2.528 0 50 FFAA CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2)n1 753713040 IQGXRXPCOOUSKJ-KRWDZBQOSA-N 350.422 2.681 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 192402166 ZIQJCXQLBCMRDU-PRHODGIISA-N 357.193 2.714 0 50 FFAA COc1ccc(C(=O)N2CCCN(C/C=C/c3ccccc3)CC2)cn1 1529153124 QKWKVDWHKXCNGO-WEVVVXLNSA-N 351.450 2.952 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)C[C@H]2O)on1 1529180651 GWBQLMJKSSBANY-OXQOHEQNSA-N 367.449 2.849 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 5015898 APPKJYBPYMDUBD-SNVBAGLBSA-N 372.446 2.995 0 50 FFAA CSc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 12315010 YAELYDTVTNRCCY-ZDUSSCGKSA-N 359.451 2.679 0 50 FFAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](NC2CCCC2)CC3)o1 14753278 XLQGZVFOVMVFQL-HNNXBMFYSA-N 356.470 2.641 0 50 FFAA COc1ccc(OCc2nc(C(=O)NCc3nc(C)cs3)co2)cc1 14953392 RDIBJRXMMMXVGP-UHFFFAOYSA-N 359.407 2.957 0 50 FFAA CC1=C(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)OCCO1 15075207 JOKIXTKHJHWHQB-QGZVFWFLSA-N 351.406 2.916 0 50 FFAA CC(C)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 15075655 SNDUWRQLBKHODE-SFHVURJKSA-N 358.530 2.530 0 50 FFAA CCn1ncc(CN2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)c1C 19145110 HDGMWWYCBSJZGA-RTWAWAEBSA-N 368.525 2.722 0 50 FFAA COc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 19211562 ZOUWTNYHBCMORR-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 19535195 NRXNJZMYIOURMP-UHFFFAOYSA-N 361.873 2.840 0 50 FFAA CC1(C)CC(=O)c2cnc(N3CCN(Cc4ccccc4)CC3)nc2C1 19899747 JSCPGVSHFUFCOI-UHFFFAOYSA-N 350.466 2.954 0 50 FFAA O=C(/C=C/c1ccco1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772521 KCLPMZRYTCQXOG-ONEGZZNKSA-N 366.343 2.887 0 50 FFAA Cc1nc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)nn2)no1 169777857 JGZCFJWYVBKWTN-CQSZACIVSA-N 372.816 2.767 0 50 FFAA O=C(c1cccc(F)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 169779695 WIKDVOZJQBQPQZ-UHFFFAOYSA-N 366.396 2.720 0 50 FFAA Cc1cc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C)o1 153914535 YWYVNBMPUZRATL-UHFFFAOYSA-N 360.361 2.729 0 50 FFAA O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668766 PQVPOLWLBXLHMN-SIKLNZKXSA-N 351.446 2.676 0 50 FFAA CC(C)c1ocnc1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857671857 UKJRYXGDSUHGJG-FQEVSTJZSA-N 369.421 2.688 0 50 FFAA CCCN1CCC2(CC1)OCCc1sc(C(=O)NC[C@@H](O)CC)cc12 1857688683 WOLUKZQIAGPHHK-AWEZNQCLSA-N 366.527 2.523 0 50 FFAA O=C(NCCc1ncc[nH]1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857723732 SSSALTAFYHMPFH-LBPRGKRZSA-N 373.844 2.780 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)[C@H](C)n3cncn3)s2)c(C)c1 1875249473 VFEPMNNNEXXUQT-LBPRGKRZSA-N 358.427 2.525 0 50 FFAA O=C1NCCN(C(=O)C(F)(F)c2c(F)cccc2F)[C@@H]1c1ccccc1 756962086 VNCBMGXVTLBLBT-OAHLLOKOSA-N 366.314 2.756 0 50 FFAA CN(C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)C1 363777375 VVDKZASNXDQLEJ-HOTGVXAUSA-N 364.921 2.759 0 50 FFAA CCc1ncnc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c1F 1704336448 IYXZQSYRWGVHLA-LJQANCHMSA-N 356.449 2.519 0 50 FFAA Cc1ccc2ccnc(NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)c2c1 824328568 VMSVZNQQVSFHBY-OLZOCXBDSA-N 351.328 2.796 0 50 FFAA CO[C@@H](C(=O)NCc1nnc(C)n1C1CC1)c1ccccc1C(F)(F)F 935271334 LZNIGNMDJUQGFP-OAHLLOKOSA-N 368.359 2.944 0 50 FFAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(O)cc2)cc1 715188 KPZBMCXZCSYXTJ-GOSISDBHSA-N 368.389 2.772 0 50 FFAA O=C(Cc1c[nH]c2cc(F)ccc12)NCc1cc(C2CCNCC2)no1 2325755600 UPMXCGBKVGGXBX-UHFFFAOYSA-N 356.401 2.621 0 50 FFAA Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)N1CCc2onc(CO)c2C1 2325791269 IUJXZASARQYDJR-UHFFFAOYSA-N 372.812 2.717 0 50 FFAA O=C(N[C@H]1C[C@@H](NC(=O)c2cncs2)C1)c1cc(F)cc(C2CC2)c1 2325854724 RMJIGFUYLIVYJB-GASCZTMLSA-N 359.426 2.850 0 50 FFAA Cn1nc(C(=O)N[C@H](C(=O)O)c2ccccc2Cl)c2cc(F)ccc21 2325866003 XMTVVLOEFGFZCB-HNNXBMFYSA-N 361.760 2.922 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)NC(=O)N1 759151 JSJIRDHFNYDGJF-XHDPSFHLSA-N 350.802 2.690 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1O 828846 AXQWDBVDYYCGPI-GOSISDBHSA-N 367.405 2.976 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccs1 890411 DYLPNSGEFJSETM-AWEZNQCLSA-N 352.209 2.923 0 50 FFAA Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1C 1112325 ZYHATOAPUHOAHS-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COc1ccc(Cc2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)cc1 2356143690 SHUPIUUXTOPDJU-OAHLLOKOSA-N 362.433 2.981 0 50 FFAA Cc1nc(N2CCCC2)[nH]c(=Nc2cccc(N3CCN(C)C3=O)c2)c1C 2356144784 LWHKOKGMWMHJMJ-UHFFFAOYSA-N 366.469 2.731 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cc(F)ccc1C(F)(F)F 2356157313 FLDLMHHVLTVUBF-KRWDZBQOSA-N 374.378 2.794 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc(OC(F)F)cc2)C1=O 2356158811 AJIVKVNRGFJXMW-LJQANCHMSA-N 368.424 2.891 0 50 FFAA CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(OCC)c1 6730173 HQGJFOXRPGONJF-UHFFFAOYSA-N 372.421 2.675 0 50 FFAA Cc1cccc([C@H](NC(=O)CCC(=O)NC2CCCCCC2)C(=O)O)c1 55183261 VCYGRTJLNGFSSD-IBGZPJMESA-N 360.454 2.856 0 50 FFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CN1CCCCCC1=O 55061217 RLGIFOVBOUSNEM-UHFFFAOYSA-N 358.417 2.577 0 50 FFAA CCCCSc1ncc(CN2CCC3(CC2)CN(C)CCN3C)cn1 67697239 ZESDJKPSMWMRAN-UHFFFAOYSA-N 363.575 2.581 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@H](c2nc(C(C)C)no2)C1 65499256 MESFHJRIUKILCH-INIZCTEOSA-N 372.469 2.697 0 50 FFAA Cc1cc(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)[nH]n1 67850095 POTXDVHODHPKEE-UHFFFAOYSA-N 350.378 2.521 0 50 FFAA Cc1nc(NC[C@@H]2Cc3ccccc3CN2C)cc(C2CCNCC2)n1 67654186 MLCPDNKAEXJBPX-IBGZPJMESA-N 351.498 2.721 0 50 FFAA CCn1c([C@H]2CCCNC2)nn(Cc2cccc(Cl)c2Cl)c1=O 67714349 JYLVQXJWVKSEAF-NSHDSACASA-N 355.269 2.887 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CNC(=O)c2cc(F)cc(F)c2)n1 151004151 YBSOYKURILCIRA-KRWDZBQOSA-N 359.376 2.762 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1[C@@H](CN[C@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 252515062 GNTBGPAULDJTDJ-BBWFWOEESA-N 364.530 2.981 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)no1 12053354 KUOQVOGQMHRWLI-HXUWFJFHSA-N 371.412 2.777 0 50 FFAA CCN(C(=O)c1coc(COc2cccc(OC)c2)n1)C1CCOCC1 67867311 QAUSNBXEPAXSER-UHFFFAOYSA-N 360.410 2.903 0 50 FFAA O=C(NC[C@@]1(O)CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 215778985 ZWQWHVATYKBAAT-CYBMUJFWSA-N 370.293 2.569 0 50 FFAA CCCc1nc(C(=O)Nc2ccc(C(N)=O)cc2)nn1-c1ccccc1F 151524486 DMHHMJMHOKXCRH-UHFFFAOYSA-N 367.384 2.710 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)Cc1cccc(Cl)c1 77285482 ZWNCLLPTEAHDFK-INIZCTEOSA-N 358.891 2.551 0 50 FFAA C[C@@H](NC(=O)NCc1cccc(-c2cccnc2)c1)[C@@H](C)N1CCOCC1 363821653 NRRUQMMSXOUHOV-IAGOWNOFSA-N 368.481 2.657 0 50 FFAA Cn1nnc2cc(C(=O)N3CCc4[nH]c5c(Cl)cccc5c4C3)cnc21 77470966 CNNBURYUNWYCIO-UHFFFAOYSA-N 366.812 2.697 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCN(C(=O)c2ccc[nH]2)CC1 219000756 JLWIXHXPHUJGBF-UHFFFAOYSA-N 366.465 2.603 0 50 FFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccnn1CC(F)F 447578854 HVRVVJDBDJMHHI-UHFFFAOYSA-N 362.380 2.849 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(N3CCCC3=O)CC2)c1 72412158 VPGHLDLSNJPREY-UHFFFAOYSA-N 358.482 2.617 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)N2CCC(N(C)C)CC2)c1 378399997 JDNIVWCKSJMKFQ-FQEVSTJZSA-N 371.525 2.851 0 50 FFAA COc1ccc(CNCC2(N3CCN(C)CC3)CCCCC2)cc1OC 32587119 JXSZRXRMCNUXNH-UHFFFAOYSA-N 361.530 2.744 0 50 FFAA COc1ccc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)cc1C 72144664 RUXIYQXQXVQHCC-INIZCTEOSA-N 352.434 2.807 0 50 FFAA Cn1nnc2cc(C(=O)N3CCC[C@@H](CCc4cccc(F)c4)C3)cnc21 71751627 VCLWCTLBNHQELJ-HNNXBMFYSA-N 367.428 2.987 0 50 FFAA Nc1ncccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72418829 FUZYQWZSRJZMHP-MAUKXSAKSA-N 370.522 2.781 0 50 FFAA CC(=O)c1cn(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c2ccccc12 36354173 VQFQARALCWYIER-LJQANCHMSA-N 350.374 2.786 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1nc2ccccc2o1)c1ccc2c(c1)OCO2 219293776 OZIFQGXUNIRWHD-LJQANCHMSA-N 367.405 2.518 0 50 FFAA NC(=O)c1cccc(C[C@@H]2CCN(S(=O)(=O)/C=C/c3ccccc3)C2)c1 72136991 UFMJDSCARFIUGX-KSEUIEODSA-N 370.474 2.651 0 50 FFAA COc1ccc(Cc2nn3c(CN4CCCCC4)nnc3s2)cc1OC 40283893 AMSUSWSWXZCUIC-UHFFFAOYSA-N 373.482 2.780 0 50 FFAA O=C(NCc1ccccn1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 241897233 TWUSMFIMYDJLIZ-UHFFFAOYSA-N 374.466 2.624 0 50 FFAA O=C(c1sccc1Cl)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1 71763556 JPHZQKKLFRGAIV-UHFFFAOYSA-N 372.837 2.745 0 50 FFAA C[C@H]1CCCN(C(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 17075504 GWOIBCXFKRYXSC-AWEZNQCLSA-N 367.540 2.900 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 17073969 KYZBFBFWBZDZAH-ZWKOTPCHSA-N 358.438 2.909 0 50 FFAA CC(=O)c1ccc(N2CCC(Oc3cccc(F)c3)(C(=O)O)CC2)nc1 82120254 FPHVLRMXCXCPQX-UHFFFAOYSA-N 358.369 2.926 0 50 FFAA CCc1nc(NC(=O)N(C)Cc2cnn(-c3ccccc3C)c2)nn1C 48482789 UIMXZDMXBBIUKS-UHFFFAOYSA-N 353.430 2.536 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCCc2ccc(O)cc2)CC1 426522837 DHBCZFGVJDUNSC-UHFFFAOYSA-N 354.454 2.560 0 50 FFAA Cc1cnccc1-c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cc1 426494730 ZUMHSGVGJIPFHS-PMACEKPBSA-N 351.450 2.650 0 50 FFAA O=C(c1ncccc1O)N1CCC(c2nccn2Cc2cscn2)CC1 91645925 HXMTZVZDUYAQQY-UHFFFAOYSA-N 369.450 2.508 0 50 FFAA COC[C@H](Nc1nc(C)nc2c1Cc1ccccc1OC2)c1ccnn1C 97402542 YMXAKDLKQBSGTP-KRWDZBQOSA-N 365.437 2.801 0 50 FFAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)Cc1c[nH]cn1 95504350 BVLZNKHOBWMIQW-UHFFFAOYSA-N 358.461 2.504 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)n1 91526571 WFGABDOMAQZJIF-UHFFFAOYSA-N 370.482 2.796 0 50 FFAA CCC[C@H](C)C(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 91943112 JSNKIMQANCEQKZ-INIZCTEOSA-N 360.502 2.620 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCN(Cc3csc(C)n3)CC2)N(C)C)cc1 95360189 BFOVIDQDLDXVFO-IBGZPJMESA-N 372.538 2.707 0 50 FFAA COCCCN1CCC[C@@]2(CCN(C(=O)c3ccc4occc4c3)C2)C1=O 91526735 ACLPHCJMOLKJIC-NRFANRHFSA-N 370.449 2.924 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)Cc2c(C)nc(N)nc2C)CC1 91526276 QZGIVZCATKIRMJ-UHFFFAOYSA-N 370.501 2.621 0 50 FFAA CN(CC(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1)Cc1ccccn1 95371130 NLXKHPCAGRNXBX-GOSISDBHSA-N 367.449 2.618 0 50 FFAA Cc1c(CN2CCC[C@H](c3nccn3Cc3cccnc3)C2)cnn1C 95531266 LQUULIPGZZLYKY-SFHVURJKSA-N 350.470 2.748 0 50 FFAA CN(C)C1=NC2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)C(=O)N1 97370524 AUEWPACOTNRPGE-UHFFFAOYSA-N 362.477 2.736 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(Cc1cccc3cccnc13)CCN2C 91988342 LMNGBDHHSODTGQ-JOCHJYFZSA-N 366.509 2.753 0 50 FFAA C[C@@H]1CN(Cc2nccn2Cc2ccccc2)CC[C@@]1(O)C1CCOCC1 91440218 XRIAXLLXAXREKX-GCJKJVERSA-N 369.509 2.931 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cnc3c(c2)CCCC3)C1 95502670 KMYPENPUDLNTMH-QGZVFWFLSA-N 368.481 2.823 0 50 FFAA CCOc1ccc(NC(=O)NCCN2CCCOC2=O)cc1-n1cccc1 96153006 HTBGHNUHKOIIJJ-UHFFFAOYSA-N 372.425 2.840 0 50 FFAA NC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)n[nH]c1Cc1ccccc1 252492502 MOABVBPJOQPDHE-CYBMUJFWSA-N 357.360 2.992 0 50 FFAA Cc1ccc2[nH]c(CNC(=O)C3(N4CCOCC4)CCCCC3)nc2c1C 299796795 SCPSHFCSVRPQHE-UHFFFAOYSA-N 370.497 2.831 0 50 FFAA CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1OCc1ccccn1 299763622 PMBJHZCJKJZLBG-GOSISDBHSA-N 368.437 2.649 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C[C@H]1CC(=O)N(c2ccccc2)C1 299773475 CGIYWVHUIOZMBM-GOSISDBHSA-N 370.497 2.538 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N2CC[C@@H](n3nc(C)cc3C)C2)c1 299801816 YFMLIZQETRAPHQ-OAHLLOKOSA-N 372.425 2.774 0 50 FFAA COc1ccc(CNC(=O)c2cccc(-c3nc(C)n(C)n3)c2)cc1OC 299788026 QWXDNCYESJAPPQ-UHFFFAOYSA-N 366.421 2.738 0 50 FFAA COc1cccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c1OC 824521334 HDQQYMKNFVGFPD-UHFFFAOYSA-N 359.455 2.679 0 50 FFAA CCCN1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc(C)o2)CC1=O 822919196 OHGFKXICJOIEOH-AWEZNQCLSA-N 369.421 2.581 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)NC1CCN(Cc2ccccc2)CC1 827627279 WDMHNFLOVQGKCB-FQEVSTJZSA-N 368.477 2.516 0 50 FFAA C[C@@H](CC1CCCCC1)C(=O)N1CCCN(c2ncnc3[nH]cnc23)CC1 1875265926 XIMQKTLEZOIUGH-HNNXBMFYSA-N 370.501 2.998 0 50 FFAA C[C@]1(CNC(=O)[C@@H]2OC(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1875309110 RNLGGCBERFEURQ-DENIHFKCSA-N 364.445 2.927 0 50 FFAA C[C@H](n1nc(-c2nc[nH]n2)nc1-c1n[nH]c2c1C[C@H](C)CC2)C(F)(F)F 1875335809 HYQUAKYWPSNQNC-SFYZADRCSA-N 366.351 2.701 0 50 FFAA CCn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1C(=O)c1cc2n(c1)CCCC2 1875401575 LMCITONRFTYZDZ-IRXDYDNUSA-N 369.469 2.755 0 50 FFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1 71775570 CYIFRPABBDKSOW-GOSISDBHSA-N 367.380 2.518 0 50 FFAA O=c1oc2ccccc2n1CCN[C@H]1CCCN(Cc2cccs2)C1 952969520 NXIKPCJLSAVEGV-HNNXBMFYSA-N 357.479 2.910 0 50 FFAA Cc1ccc([C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]2N(C)C)cc1 1565527727 JREGTKKUTTXBRU-RTWAWAEBSA-N 372.534 2.928 0 50 FFAA Cc1cc(C2CCC2)nc(N[C@H]2CCN(Cc3csc(C)n3)C[C@@H]2O)n1 1565509977 SUISRJLXPGYHJQ-WMZOPIPTSA-N 373.526 2.865 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCO[C@H]2C(C)C)cc1Cl 408497099 IJLRFIBTZICNRS-ZFWWWQNUSA-N 359.875 2.905 0 50 FFAA COC(=O)C[C@]1(NC(=O)CCCCOc2cccc(C)c2)CCCOC1 170598014 DYQZUIOCWDPXSO-HXUWFJFHSA-N 363.454 2.773 0 50 FFAA COc1cc(NC(=O)N2CCN(C)[C@H](c3nccn3C)C2)c(C)cc1C 280419950 CZIDWCYPXMMPBF-INIZCTEOSA-N 357.458 2.566 0 50 FFAA CCCn1nc(C)c(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1C 1529169361 XVQCTOWQGQKUHA-QGZVFWFLSA-N 354.454 2.865 0 50 FFAA Cc1noc(C)c1CC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529101289 BSMLPMFDBRUALM-UZLBHIALSA-N 365.433 2.756 0 50 FFAA Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C 1704339881 PKINSHXGWUBQSJ-RTBURBONSA-N 374.506 2.851 0 50 FFAA COc1ccc([C@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2NC(C)=O)cc1 222538127 NCRORWAWDMZLPX-WBVHZDCISA-N 363.820 2.991 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCC[C@H](N)C2)cc1 1704329517 VYEIQNKNGZMAPJ-HNNXBMFYSA-N 370.453 2.514 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12386080 KEUPLGKZLQSSHN-HNNXBMFYSA-N 350.409 2.758 0 50 FFAA CCC(=O)N1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21 12418305 BJNXLLMJSHCBDZ-LJQANCHMSA-N 352.415 2.903 0 50 FFAA CCc1sc(C(=O)NCCCN2CCOCC2)cc1Br 13327123 MPRPZBICTSOSEH-UHFFFAOYSA-N 361.305 2.525 0 50 FFAA CCOC(=O)N1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1 14398448 UPHIDCATGQDWFU-UHFFFAOYSA-N 354.834 2.800 0 50 FFAA CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1CNCc1ccon1 14980646 TVDKAASCQNFAFE-UHFFFAOYSA-N 354.410 2.944 0 50 FFAA CSc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)N1CCCC1 16647789 LNGLWNBEMMZCPL-UHFFFAOYSA-N 370.540 2.969 0 50 FFAA COC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19859132 YSQRDHGSGIKXLH-UHFFFAOYSA-N 354.406 2.558 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1 169778165 OAJSZWXQDIVDCM-HNNXBMFYSA-N 366.425 2.847 0 50 FFAA CCn1nc(C(=O)N2CCOc3ccccc3C2)c2c1[C@H](C)O[C@H](C)C2 1857529782 UKYXGHSQEUZVOJ-KGLIPLIRSA-N 355.438 2.960 0 50 FFAA CC(=O)N1CCC(n2ccnc2-c2cc3ccccc3n(C)c2=O)CC1 1857693274 PKCCRQNGICIXAF-UHFFFAOYSA-N 350.422 2.585 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3ncnc4ccc(C)nc34)C[C@H]12 1857710844 SLRNSMILFVZXAF-QEWYBTABSA-N 352.438 2.771 0 50 FFAA CC(C)n1cnnc1CN1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857713631 ABQULFGNAGQOPI-HZPDHXFCSA-N 350.507 2.780 0 50 FFAA c1cncc([C@H](Cn2ccnc2-c2cccc3ccnn23)N2CCOCC2)c1 1857723086 WKBVURZGXCJCIN-FQEVSTJZSA-N 374.448 2.666 0 50 FFAA Cc1cccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c1C 2890042 KADMOYNRMBJCLS-AWEZNQCLSA-N 356.403 2.821 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cc(O)n1 328614283 AFLHNNWZFNCMTQ-NSHDSACASA-N 368.359 2.646 0 50 FFAA C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 333398927 IHKGXNAQZPASLP-DDTOSNHZSA-N 361.243 2.748 0 50 FFAA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 253370054 LKZWBSWLAGAUKG-RKVPGOIHSA-N 354.491 2.993 0 50 FFAA COc1ccc(NC(=O)CCc2cccc(F)c2F)cc1-n1nnnc1C 363592798 QUNAPRZKEIQLAF-UHFFFAOYSA-N 373.363 2.829 0 50 FFAA COc1ccc(F)c(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)c1OC 373764250 AACFUGBSZFWSSD-ZDUSSCGKSA-N 358.413 2.881 0 50 FFAA O=C(N[C@H]1CCOC2(CCCC2)C1)[C@H]1CSCN1C(=O)C1CCCC1 162280276 OEYOKCCCLAUTEV-JKSUJKDBSA-N 366.527 2.686 0 50 FFAA O=C(NCc1ccccc1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 35310558 SMTJSCKZFGDAGH-NRJQMVOHSA-N 361.445 2.635 0 50 FFAA O[C@H](CNC[C@H](O)c1ccccc1F)c1cc(Cl)c2c(c1)OCCO2 843082199 IZXJSRYJQVYNMW-CVEARBPZSA-N 367.804 2.607 0 50 FFAA C[S@@](=O)CCNC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 847324814 HJFVWCDJPDLPIE-XMMPIXPASA-N 358.454 2.698 0 50 FFAA CN(C[C@]1(C)CCCO1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 2325790048 JBCMSQMIXOQVID-KDOFPFPSSA-N 360.483 2.688 0 50 FFAA O=C(CCN1CSCCSC1)N1C[C@H](O)CC12CCCCCC2 2325794616 KHGGKNYAELYXBJ-OAHLLOKOSA-N 358.573 2.760 0 50 FFAA COc1csc(S(=O)(=O)Nc2cnn(CC(C)(C)C)c2)c1OC 2325797886 OHYCFUIJEYVKQD-UHFFFAOYSA-N 359.473 2.809 0 50 FFAA CC1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC[C@H](Nc3ncccn3)CC2)CC1 924367291 XMUSRPSQIAVXPS-ULQDDVLXSA-N 374.485 2.638 0 50 FFAA O=C(NCCOc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 152350937 DFRCFEZSUGTLFL-UHFFFAOYSA-N 352.434 2.734 0 50 FFAA CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NC)c2ccccc12 637885 BZLSHWMAQHZHQH-KRWDZBQOSA-N 355.463 2.777 0 50 FFAA Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1C(=O)N(C)C 671791 ANTIIBMQUNIAEW-UHFFFAOYSA-N 353.831 2.824 0 50 FFAA O=C(NC(=S)Nc1ccccc1O)c1cncc(Br)c1 678551 VKTWVJWRNBKAGP-UHFFFAOYSA-N 352.213 2.677 0 50 FFAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1Br 815885 DEQGCPNECSAXQJ-UHFFFAOYSA-N 366.211 2.592 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)COc2ccccc2OCC)n1 956498 AAQHMVJOXUCAKF-UHFFFAOYSA-N 364.423 2.665 0 50 FFAA Cc1ccc(-c2nnc(CN3CC[C@H](c4ccccc4)[C@H](O)C3)o2)n1C 2356166879 CZMBOTQSIRODEE-SJLPKXTDSA-N 352.438 2.734 0 50 FFAA O=S(=O)(Cc1nnnn1-c1cccc(C(F)(F)F)c1)c1ccccc1 6764292 UNAFNAZXECMGPW-UHFFFAOYSA-N 368.340 2.655 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3F)C[C@H]2CCO)c1 104377781 YOGIXITXBUZYGV-LJQANCHMSA-N 358.457 2.903 0 50 FFAA COCc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 112418191 NDJVLLAZXVPVKV-INIZCTEOSA-N 357.385 2.899 0 50 FFAA C/C=C(\C)C(=O)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O 20541992 ZLFSMRSHVDKIEF-HUEDMPJVSA-N 351.450 2.673 0 50 FFAA C[C@@H](O)Cc1cn(CC2CCN(c3cccc(C(F)(F)F)n3)CC2)nn1 20781579 LDRBEHSKRNJTLB-GFCCVEGCSA-N 369.391 2.532 0 50 FFAA COc1cc(OC)c(OC)cc1CN(C(=O)c1cc(N)ccn1)C(C)C 65382447 ZEYXZHQTWIFETR-UHFFFAOYSA-N 359.426 2.740 0 50 FFAA NC1(CNC(=O)c2cc(F)c(F)c(O)c2F)C2CC3CC(C2)CC1C3 424039890 DSBHCEHBRNYBIH-UHFFFAOYSA-N 354.372 2.693 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C 229575574 DIEWZHBAJMXYIF-JYJNAYRXSA-N 370.497 2.829 0 50 FFAA Cc1cc(-n2cccn2)ccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 252508258 XIJIXDISBZMOAP-MRXNPFEDSA-N 362.437 2.976 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3CCOC[C@H]3c3nnc(C(C)C)o3)c2c1 328613499 SEMLOBOHCNHYRI-AWEZNQCLSA-N 355.398 2.591 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCc2csc(C)n2)n1C 328624715 KBCREQWWMQXBOR-MRXNPFEDSA-N 360.483 2.794 0 50 FFAA O=C(O)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 3883139 XYHSYEXRCKCHNN-ZDUSSCGKSA-N 359.325 2.810 0 50 FFAA O[C@H](CN1CCOC2(CCOCC2)CC1)c1cccc(Br)c1 364247206 XBACIXPJHGZLHY-MRXNPFEDSA-N 370.287 2.754 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccnc2)C[C@@H]1CCO 77345063 XBDXTRNDJIQALC-FQEVSTJZSA-N 355.482 2.549 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCC[C@@H](c2nc3c(C)cccc3[nH]2)C1 72172906 ZNCLMYUKSHSGKI-CYBMUJFWSA-N 353.426 2.761 0 50 FFAA O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccnc(C(=O)O)c1 261798158 LOSSWBQOTWCIQU-IRXDYDNUSA-N 356.378 2.714 0 50 FFAA O=C1Nc2ccccc2[C@]12CCCN(Cc1nc(-c3ccco3)no1)C2 72148776 WAPXSHUEWGGRPJ-LJQANCHMSA-N 350.378 2.816 0 50 FFAA CN(C)[C@H](C(=O)NCCc1nc2ccccc2o1)c1ccc2c(c1)OCO2 219293802 OZIFQGXUNIRWHD-IBGZPJMESA-N 367.405 2.518 0 50 FFAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 237326329 MHMIBOTUYDMVLW-YPMHNXCESA-N 350.406 2.594 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 238019980 UNCIWMATWHYULM-JKSUJKDBSA-N 361.344 2.848 0 50 FFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(OC)c2OC)N1 35623188 CTXHTRWRNKBGGX-AEFFLSMTSA-N 366.417 2.962 0 50 FFAA biogenic,in-vitro Cc1cc2nc(C(=O)N3CCCN(CC4CC4)[C@H](C(C)C)C3)cc(C)n2n1 71708185 QEFATKSPUBYMPS-IBGZPJMESA-N 369.513 2.929 0 50 FFAA O=C(NCc1ccncc1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 77556475 VKFKBGVEUXVZLR-UHFFFAOYSA-N 364.449 2.563 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccc(F)cc3)ccc21 77486742 QWWVJEXMXCHLMT-UHFFFAOYSA-N 371.412 2.777 0 50 FFAA CCOc1ccccc1Oc1ccccc1C(=O)N1CCNC(=O)CC1 176292810 GYMFLCNDOZYGPF-UHFFFAOYSA-N 354.406 2.840 0 50 FFAA C[C@H](NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)s1 241701813 QLJHJCIRFVGJFK-HBNTYKKESA-N 354.859 2.754 0 50 FFAA CN(C)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1Cl 48296217 KDJNBXVPHJVIDV-ZDUSSCGKSA-N 372.856 2.788 0 50 FFAA CCCN1CCC[C@@H](NC(=O)N2CCCOc3c(cccc3OC)C2)C1 426485529 GFRKABKKVSMUHI-QGZVFWFLSA-N 361.486 2.864 0 50 FFAA O=S(=O)(C[C@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 178391151 YMWFGMUXGKQZPR-HOCLYGCPSA-N 351.468 2.779 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)N2CCC(Oc3ncccn3)CC2)c1C 426535929 RKLFCLYLPOVAOX-CYBMUJFWSA-N 372.473 2.624 0 50 FFAA O=S(=O)(N[C@@H]1CCCCN(Cc2ccccn2)C1)c1ccccc1F 82092387 PNCALAMYKKOEMI-MRXNPFEDSA-N 363.458 2.554 0 50 FFAA COc1ccccc1N1C[C@@H](NC(=O)C2(c3ccc(C)cc3)CC2)CC1=O 220531011 JBGIDMUBZXJHJE-KRWDZBQOSA-N 364.445 2.957 0 50 FFAA CCCN1CCCn2nc(CNC(=O)c3ccc(CSC)o3)cc2C1 82098610 MYKCWGXUSNUHHC-UHFFFAOYSA-N 362.499 2.885 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccc(Cl)c1 239009529 ATTCJZJEVDBRJI-UGDFAFBOSA-N 370.836 2.704 0 50 FFAA CCCc1nc(CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)no1 180277128 FJCCCNAMWCMKHG-HNNXBMFYSA-N 368.359 2.714 0 50 FFAA COCCCN1CC2(CCN(C(=O)CCc3ccsc3)CC2)CC1=O 95369035 CLOPYPXTSWOUSZ-UHFFFAOYSA-N 364.511 2.558 0 50 FFAA COc1ccc([C@@H]2CN(Cc3cn(C)nc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95353515 JRHSGNCLTPXELJ-BHDDXSALSA-N 366.509 2.799 0 50 FFAA CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCC[C@@H]4O)[nH]n2)cc1 95384043 OKHNHTTUFWATGY-IBGZPJMESA-N 369.465 2.785 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91871425 WOVMCACOXYDUES-UHFFFAOYSA-N 366.421 2.769 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccn2C2CC2)C1 95504665 MHKAJMFJVXNBHO-QGZVFWFLSA-N 369.513 2.991 0 50 FFAA CC(C)N1CCC(CC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)CC1 95374197 IHAFJBSVKAAUNB-NRFANRHFSA-N 367.497 2.789 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)COc1ccccc1O 91440586 IBVLJSAZRLFNHT-ZDUSSCGKSA-N 364.405 2.809 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)S(C)(=O)=O)cc1C 239274912 AXGDRPKRPVSOCZ-OVWQWFNUSA-N 364.511 2.763 0 50 FFAA COCCCN1CC2(CCN(c3nc(C)cc(C4CCC4)n3)CC2)CC1=O 95365732 DSIKNHXEUIKBBG-UHFFFAOYSA-N 372.513 2.908 0 50 FFAA COc1nn(C)c(C)c1NC(=O)N1CCOc2ccc(Cl)cc2C1 96163382 JVWFPEOAXJJJBQ-UHFFFAOYSA-N 350.806 2.817 0 50 FFAA CCn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 97766470 QJORKELHZOGWCJ-MRXNPFEDSA-N 370.428 2.874 0 50 FFAA COCCCN(C(=O)c1ccc([C@@H]2CCCNC2)cc1)C1CCN(C)CC1 95363119 VGOWVOHXSOJNBN-HXUWFJFHSA-N 373.541 2.727 0 50 FFAA Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 97638098 QPORWODQGIKKLW-QGZVFWFLSA-N 370.453 2.507 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)[C@H]1CCCN(c2ccccn2)C1 97698774 KZMYQNHPFMWIGV-HNNXBMFYSA-N 371.510 2.671 0 50 FFAA COCCc1noc([C@H]2CCCCN2Cc2cn3ccc(C)cc3n2)n1 243901178 AZDPTBUHKAFVTL-MRXNPFEDSA-N 355.442 2.942 0 50 FFAA O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCOc2ccccc21 244742039 OAXIJQHVYQDJHI-UHFFFAOYSA-N 370.424 2.535 0 50 FFAA Cc1nc2c3ccccc3nn2c(O)c1CCC(=O)Nc1nccs1 252485797 HEPWHTPSVVIBFU-UHFFFAOYSA-N 353.407 2.924 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1 534648687 KKOAJLKMYBLDNP-AWEZNQCLSA-N 362.437 2.833 0 50 FFAA C[C@H](NC(=O)N(CCN(C)C)Cc1ccsc1)C1CCN(C)CC1 534673733 VUTSMIXELODJLA-HNNXBMFYSA-N 352.548 2.552 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCCCCC4)c3CO2)cc1 263615757 FBJPZFXXYRQYQI-QGZVFWFLSA-N 356.426 2.574 0 50 FFAA CC[C@@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1cccc(C)n1 299797646 RZZRNOXTANTHDE-OAHLLOKOSA-N 366.421 2.717 0 50 FFAA CC(C)c1cc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccnc2)n(C)n1 299790570 BNLXTHCFBGJUDC-SFHVURJKSA-N 365.441 2.841 0 50 FFAA COc1cnc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)cc1O 299759674 QDZUQGUQAPYZQJ-CYBMUJFWSA-N 360.385 2.866 0 50 FFAA Cc1nc2ccc(C(=O)Nc3ccc(Oc4nn[nH]n4)cc3)cc2nc1C 828169111 XEAFHXMXAZCIIE-UHFFFAOYSA-N 361.365 2.804 0 50 FFAA O=C(c1cnc(O)c2ccccc12)N1CCN[C@@H](Cc2ccc(F)cc2)C1 1454263725 XCBOBOVHYWRLJN-INIZCTEOSA-N 365.408 2.736 0 50 FFAA COCc1ccccc1S(=O)(=O)NCc1cc(C(F)(F)F)ccn1 1875298176 QJMKEAGPKZHVGO-UHFFFAOYSA-N 360.357 2.725 0 50 FFAA Cc1cnc(N2CCN(C(=O)c3cccc(C(=O)O)c3)CC2)nc1C(C)C 1875267199 DSCKOXANGGWJSS-UHFFFAOYSA-N 368.437 2.569 0 50 FFAA O=C(Nc1cccc2c1CN(C1CC1)C2)c1ncoc1C1CCNCC1 1875277051 APBMUAUGVRBFJT-UHFFFAOYSA-N 352.438 2.872 0 50 FFAA COc1ccc([C@H](CN=c2[nH]ccc3cnccc23)N(C)C)cc1OC 1875305292 OXNUCXIIOIDKAJ-KRWDZBQOSA-N 352.438 2.784 0 50 FFAA Cc1ccc(CS(=O)(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)cc1 952965969 BMWCKQHWKDEYCF-KRWDZBQOSA-N 358.463 2.815 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2CNCc2ccccc2Cn2cccn2)cn1 886079709 WFYASKJIAYZNQZ-XLIONFOSSA-N 351.454 2.532 0 50 FFAA C[C@@H]1CN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C[C@H](c2ccccc2)O1 895876290 PMNKHHVFBBQXJO-NIKGAXFTSA-N 354.454 2.779 0 50 FFAA NCCc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)cc1 1565528781 YRRCWZXTYVDPNN-UNMCSNQZSA-N 363.505 2.924 0 50 FFAA CCCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 170609134 HYAPCXXGCXQDQW-UHFFFAOYSA-N 351.306 2.722 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@H](O)C1 171165077 GRSKNMAPHSYPTR-NSHDSACASA-N 356.304 2.744 0 50 FFAA O=C1c2c(sc3c2CCN(Cc2ccccc2)C3)NC2=NCCCN12 198968014 HRUOTNAMMONHGE-UHFFFAOYSA-N 352.463 2.934 0 50 FFAA C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC[C@H](O)c1c(F)cccc1F 769519340 ONSDVAZREIJLSY-SJCJKPOMSA-N 374.387 2.663 0 50 FFAA O=C1CC[C@@H](NCc2noc(Cc3cccs3)n2)CCN1CC1CC1 1506403367 ACZMHDNMRDLLRQ-CQSZACIVSA-N 360.483 2.603 0 50 FFAA CNc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)s1 222102828 DMPNNYADYOZESU-CVEARBPZSA-N 371.510 2.625 0 50 FFAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 5065333 BTQZZDHTYVPHDY-SNVBAGLBSA-N 357.737 2.597 0 50 FFAA COc1ccc(C[C@H]2CN(C(=O)c3cccc(N(C)C)c3)CCO2)cc1 11821152 WZTZPVRHVRFIQS-FQEVSTJZSA-N 354.450 2.845 0 50 FFAA CC(=O)c1cc(CC(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)cs1 15064833 QPWKETJYUWWNTH-HNNXBMFYSA-N 362.495 2.933 0 50 FFAA CCOC(=O)N1CCN(Cc2ccc(OC)c(Br)c2)CC1 19633826 OSRRLNIPACPCFE-UHFFFAOYSA-N 357.248 2.732 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC[C@H](n3cc(-c4noc(C)n4)nn3)C2)c1 169777787 QMTSDEFOFGKLFW-HNNXBMFYSA-N 366.425 2.731 0 50 FFAA Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)cc1C 1857527653 ZWJSWLZDNVVRMZ-ZACQAIPSSA-N 368.437 2.560 0 50 FFAA CCCOCCCNC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857706071 IWOMKINKPXUGSH-ZDUSSCGKSA-N 361.467 2.582 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857713120 YHAGBJMJQFBDEY-SJLPKXTDSA-N 363.417 2.721 0 50 FFAA CN1CCN(C(=O)c2ccnc(-c3cnc4cc(F)ccc4c3)c2)CC1 1875245124 KXNCDBOHXCDMED-UHFFFAOYSA-N 350.397 2.824 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H](N)C[C@H]1C 408519228 XCMCZOSCCXPIQC-SCVCMEIPSA-N 359.239 2.694 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CCO1 237965248 IQHAERKOUJIUBI-SECBINFHSA-N 352.239 2.690 0 50 FFAA CN[C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 133785612 MJCHHRBBJGLMOG-QWHCGFSZSA-N 370.280 2.557 0 50 FFAA O=C1O[C@H](CSc2nc3cc(Br)cnc3[nH]2)CC12CC2 762206823 PHTQKKSDKQPWAE-QMMMGPOBSA-N 354.229 2.908 0 50 FFAA Cc1nc(C2(NC(=O)c3cccc4c3O[C@H](C)C(=O)N4)CCCCC2)no1 264222486 YRXVJPYBOCNQDF-LLVKDONJSA-N 370.409 2.687 0 50 FFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCCO3)N1 34792490 PFHXTNFFMKIEPW-VQIMIIECSA-N 364.401 2.716 0 50 FFAA in-vitro CN(C)Cc1ccc(-c2noc([C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 267113725 ZJDFJESFVHQNPB-MRXNPFEDSA-N 366.421 2.907 0 50 FFAA COc1cc(-c2noc(CC3CCN(CC(F)F)CC3)n2)cc(C)n1 904068630 IYZIBSJGEDBLRF-UHFFFAOYSA-N 352.385 2.968 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(Cc2nc(Br)cnc2N)C3)cc1 2325802609 PXSKDTMGWGLGDL-CXAGYDPISA-N 359.271 2.903 0 50 FFAA CN(CCCOc1ccc(Br)cc1)C(=O)[C@H](F)C1CC(N)C1 2325809236 UAAFDDYIRWAYMT-ABIUDSBCSA-N 373.266 2.752 0 50 FFAA Cc1cc(O[C@H]2CCN(C(=O)NCc3c(C)nc4ccccn34)C2)ccn1 2325826890 PILOMTSDUQZUIX-KRWDZBQOSA-N 365.437 2.709 0 50 FFAA Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc(C(=O)O)c3)CC2=O)c1 4610543 XPAWFCLTBQNUFH-OAHLLOKOSA-N 352.390 2.993 0 50 FFAA CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccc(F)cc1 6726533 MAZYXGUYGHSDCB-UHFFFAOYSA-N 364.431 2.686 0 50 FFAA CS(=O)(=O)c1cccnc1C(=O)N1CCC(c2ccsc2)CC1 413719785 GSEDQKWLDCEDGI-UHFFFAOYSA-N 350.465 2.566 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cnn(-c2ccccn2)c1C 462512916 UHFSOWYCLBUYFJ-KRWDZBQOSA-N 368.462 2.850 0 50 FFAA CCN1CCO[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O 8570018 DSUZJTFMOJOPGY-LBPRGKRZSA-N 364.751 2.935 0 50 FFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NCc2cccnc2)C1 55054295 HNTHLZGYLJYBFR-SFHVURJKSA-N 367.497 2.636 0 50 FFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccccc2OC(F)F)s1 225796988 XXZHJFIYHQOXBF-UHFFFAOYSA-N 363.367 2.504 0 50 FFAA COc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc(OC)c1OC 112667732 DWGISLNRGVTWCH-UHFFFAOYSA-N 373.453 2.768 0 50 FFAA Cc1cc(C)n(CCC(=O)N(C)Cc2[nH]c3ccccc3c2C)c(=O)n1 55324893 REORVSZYWVQPEU-UHFFFAOYSA-N 352.438 2.699 0 50 FFAA COCc1noc([C@@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 248455780 LDAODJLSTDXKOX-GHMZBOCLSA-N 359.352 2.829 0 50 FFAA Cc1cccnc1N1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 67983426 RQFKPFRCGFPXBA-UHFFFAOYSA-N 366.509 2.544 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cccc(-n2cnnc2)c1 65489804 QKXNTENYQPMDIC-CQSZACIVSA-N 364.405 2.872 0 50 FFAA Cc1c(C(=O)NCCOC2CCCCCC2)sc2ncn(C)c(=O)c12 118357227 WXQVPEIAYZAIGL-UHFFFAOYSA-N 363.483 2.773 0 50 FFAA Cc1nnc(Cn2ccc(-c3cccc(-c4cc(N(C)C)ncn4)c3)n2)o1 20453118 SDBOMXCKKOQRER-UHFFFAOYSA-N 361.409 2.813 0 50 FFAA COCC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 65505642 JKTHVUNCJLMMBP-HNNXBMFYSA-N 368.389 2.517 0 50 FFAA CN(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c(F)c1 178685116 CDEBKOSSETYEDR-UHFFFAOYSA-N 368.412 2.995 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)O 120177680 WSDKWZWWRFFBHV-VXGBXAGGSA-N 360.439 2.672 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 230168305 MCVRAEQMDXNHGT-RTWAWAEBSA-N 365.477 2.769 0 50 FFAA O=C(NCc1ccn(C2CCCC2)n1)c1cnn(-c2ccc(F)cc2)n1 126345211 QHUQWOWXLDLVHN-UHFFFAOYSA-N 354.389 2.648 0 50 FFAA O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)NCc3ccccc3)cc21 64959313 WNNAAJQGJGDLDR-AWEZNQCLSA-N 362.385 2.811 0 50 FFAA COc1cccc(CN2CCC(c3nnc(CN4CCCC4)n3C)CC2)c1 77319865 CQZMVIVFUAPICJ-UHFFFAOYSA-N 369.513 2.799 0 50 FFAA O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCCc2cccc(O)c21 155652784 SHFLOCNVAUFWLP-UHFFFAOYSA-N 372.446 2.525 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3c3n[nH]c(C)n3)cc2)n1 214952903 VUKOWGUQEOQZSD-SFHVURJKSA-N 364.453 2.952 0 50 FFAA COC(=O)N[C@@H](C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 77375749 WODKOCDFUQPNNA-AWEZNQCLSA-N 370.453 2.836 0 50 FFAA O[C@@H](COC1CCOCC1)Cn1c(-c2cscn2)nc2ccccc21 127276569 YUMBTBBVCUMZLM-CYBMUJFWSA-N 359.451 2.716 0 50 FFAA CCOc1ccccc1CN1CCN(c2nc(C)cnc2C)C[C@@H]1CCO 72427919 TXFHJWZUAWWPMR-IBGZPJMESA-N 370.497 2.565 0 50 FFAA O=C1CC[C@@H](CC(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)CN1 333520821 NWLMYTVJPJEHRS-NZWMYCLXSA-N 374.510 2.861 0 50 FFAA O=c1ccc(-c2ccc(F)c(S(=O)(=O)NC3CCCCCC3)c2)n[nH]1 72437457 FGSBUZOVTFTVDS-UHFFFAOYSA-N 365.430 2.577 0 50 FFAA Cc1ccc2nc(COc3ccc(C(=O)NC[C@H](N)C4CC4)cc3)cn2c1 237827585 TYZQPVAEQRIUES-IBGZPJMESA-N 364.449 2.689 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCn3nccc3C)CC2)OC1=O 77523442 XXQJLOQIQBZQHB-HNNXBMFYSA-N 362.474 2.584 0 50 FFAA Cc1ccccc1-c1nc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c(C)o1 71749202 IFXUSBKQLKLIIR-PMACEKPBSA-N 355.482 2.989 0 50 FFAA Cc1cccc(-n2cc(CN(C)C(=O)CSc3ncccn3)cn2)c1 222577295 ICHNNOAINUSPQP-UHFFFAOYSA-N 353.451 2.721 0 50 FFAA Cc1ccc(CNC(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cc1 222784324 OBDUGESWWFKJNF-RTBURBONSA-N 355.438 2.564 0 50 FFAA CC(C)c1ccc(N2CC[C@H](C(=O)Nc3nnc4ccccn34)C2=O)cc1 161036850 NMFYJGRKSBDRCA-MRXNPFEDSA-N 363.421 2.844 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(F)c3)C2)n1 426387828 SSNRBYWJBOJKQI-GFCCVEGCSA-N 365.792 2.780 0 50 FFAA CCS(=O)(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 91326884 GIMJBFRXYDCVMP-HNNXBMFYSA-N 351.447 2.964 0 50 FFAA CN1CCc2ccc(NC(=O)N3CCN(c4ccccc4O)CC3)cc21 180211328 SFEDPAQKULNUEK-UHFFFAOYSA-N 352.438 2.739 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cnc3c(c1)CCCC3)CC2 91693565 UQRHLSZQAMMDRX-UHFFFAOYSA-N 355.482 2.825 0 50 FFAA O=C(O)c1ccc(-c2ccccc2)nc1N1CCC2(CC1)OCCC[C@H]2O 95380549 URASIHOXABBDAR-GOSISDBHSA-N 368.433 2.957 0 50 FFAA CCN1CCC(CC(=O)NC[C@@H](c2cccnc2)N2CCCCC2)CC1 95519010 BXWYDLBSCWTLLW-FQEVSTJZSA-N 358.530 2.847 0 50 FFAA COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91586308 DQWWWQJNGHQVAJ-FUHWJXTLSA-N 366.465 2.545 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(N)=O)C1 239159647 MOAACRFRNIIRHU-OUAUKWLOSA-N 362.451 2.577 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1nc3c(s1)CCCC3)C2 91780985 XQVDVANKMATHJA-ZDUSSCGKSA-N 358.463 2.898 0 50 FFAA COc1ccc(CCCC(=O)N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 92037386 FPRGNVDEXIUGAH-QGZVFWFLSA-N 369.465 2.816 0 50 FFAA O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCCn2nnnc21 97711735 YCNLOBJNDIXNRL-AWEZNQCLSA-N 365.890 2.644 0 50 FFAA COc1ccc(C(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c(C)c1 244853012 VDQKJMWFHJAVFR-ZRGWGRIASA-N 356.422 2.649 0 50 FFAA Cc1noc(CC2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)n1 244811392 SBXFDSLTWJQXLL-UHFFFAOYSA-N 367.453 2.908 0 50 FFAA COc1cccc([C@H]2CN(Cc3cc(-c4cnn(C)c4C)no3)CCO2)c1 184625327 YFDXANAHKROCKJ-HXUWFJFHSA-N 368.437 2.966 0 50 FFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)c1 184647789 RDKFWCUQTMELPQ-GFCCVEGCSA-N 351.428 2.528 0 50 FFAA COc1cccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1 299752526 ULZMIHVMFPFTQD-OTWHNJEPSA-N 351.402 2.837 0 50 FFAA Cc1oc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)cc1C(=O)O 299753564 YPYJUGVYSWYDFE-UHFFFAOYSA-N 359.378 2.651 0 50 FFAA CC[C@@H](CNC(=O)N(Cc1cccs1)CC(C)C)N1CCN(C)CC1 534638583 GGSKXVSLOJDIDM-KRWDZBQOSA-N 366.575 2.942 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CC1 551976985 QXCZLIINCYYBKS-INIZCTEOSA-N 372.538 2.640 0 50 FFAA CSc1ncccc1C(=O)N[C@H]1CCCN(Cc2cccc(O)c2)C1 299786881 UNFXWUOFISNTTA-HNNXBMFYSA-N 357.479 2.904 0 50 FFAA CN1CCN2CCN(C(=O)c3cccc(-c4ccc(F)cc4F)c3)C[C@@H]2C1 299778229 OOWRHARONYTAON-SFHVURJKSA-N 371.431 2.704 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)N(C)CCn3ccnc3C)c2n1 584886373 BCJSFCHWEFHZGP-UHFFFAOYSA-N 367.453 2.769 0 50 FFAA CC(C)n1ncnc1-c1ccc(C(=O)NCCNc2cccnc2)cc1 584888823 MUSCKIWQBMTGNP-UHFFFAOYSA-N 350.426 2.763 0 50 FFAA Cn1cc([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cn1 1875396669 QLWWITAPNVLIOX-HZMVEIRTSA-N 363.502 2.844 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 1875376056 XKQODOMZRKNCMX-FSNWXROXSA-N 353.869 2.850 0 50 FFAA COc1ccc(CCc2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1 952880843 MCRCPSOVXISRFE-UHFFFAOYSA-N 358.442 2.823 0 50 FFAA CC[C@]1(C(=O)N2CC[C@@](C)(NC(=O)c3scnc3C)C2)CC1(F)F 1875406525 GOVVDIMRRIPKOG-HUUCEWRRSA-N 357.426 2.608 0 50 FFAA Nc1nc2c(c(C(=O)N(Cc3ccsc3)C[C@H]3CCCO3)n1)CCCC2 952971439 SIYLVLRGWHHYCD-CQSZACIVSA-N 372.494 2.821 0 50 FFAA Cc1ccc(C(=O)[C@@H](C)Oc2ccc(CN3CCNC(=O)C3)cc2)cc1 952967586 MJLUVFSQJOHCJU-MRXNPFEDSA-N 352.434 2.577 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3cccnc3C3CC3)C2)[C@@H]1C(C)C 888094951 NERASLDYASMFMN-REHHDOPLSA-N 357.498 2.559 0 50 FFAA Cc1nonc1CN1[C@H]2CC[C@H]1CC(NC(=O)C1CCC(F)(F)CC1)C2 888103360 DZGSHGBXRHCVFM-GJZGRUSLSA-N 368.428 2.815 0 50 FFAA CC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 170633895 ZRXWDNQYKRSXBA-QGZVFWFLSA-N 360.454 2.832 0 50 FFAA CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc(O)cc1)Cc1ccccc1 170605313 RIPLKCOHNTWJKQ-GOSISDBHSA-N 354.450 2.753 0 50 FFAA Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCOCc3ccccc32)c1C 279360331 GWQMLEDNZGJRGY-UHFFFAOYSA-N 359.447 2.884 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc(-n3cccc3)c(F)c2)cn1 190046141 CRQARFBIAMNGFE-FUHWJXTLSA-N 354.385 2.610 0 50 FFAA Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc(-c3onc(C)c3C)o2)[nH]1 1506418016 NMDQMYCIPVWWJB-LLVKDONJSA-N 350.400 2.622 0 50 FFAA C[C@@](Nc1ccccc1)(C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 1506406409 JZARECRIDSCOQA-FQEVSTJZSA-N 372.490 2.707 0 50 FFAA CN(C)c1nc2c(c(N3CCC([C@H](O)c4ccccn4)CC3)n1)CCCC2 1529174413 RRXTVMCURFRERU-IBGZPJMESA-N 367.497 2.766 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cc(Br)ccc1Cl 237504259 AXEYRCYSEHSKEN-SCZZXKLOSA-N 367.696 2.603 0 50 FFAA CO[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1Cc1cc(C)no1 1704353765 RYKTZBYPTYXVLH-APWZRJJASA-N 367.405 2.968 0 50 FFAA CC1=CC2(CCN(C(=O)CN3C[C@H](c4ccccc4)CC3=O)CC2)OCC1 1704340853 NRLRDDIREWUBAU-LJQANCHMSA-N 368.477 2.730 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3ccc(CC(C)C)cc3)CC2)n[nH]1 1772708060 AEUOTQQVEMARST-UHFFFAOYSA-N 355.486 2.660 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)cc1C 1772809799 FZKKCBSRYZBDAR-MSOLQXFVSA-N 358.482 2.653 0 50 FFAA Cc1ccc(C)c(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c1 12003734 MRZJRPVZVFYOMG-CQSZACIVSA-N 372.446 2.868 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccc(C)s3)CCC2=O)cc1 12042490 UBLZEZVSDSJWNQ-UHFFFAOYSA-N 358.463 2.940 0 50 FFAA CN1CCC[C@H](CN(C)C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 12433938 GCRXVJTYEKKVNW-INIZCTEOSA-N 365.481 2.827 0 50 FFAA CN1CCN(c2ncccc2CNC(=O)CCc2cccc(Cl)c2)CC1 14961706 CVMIVSZPHZEJEN-UHFFFAOYSA-N 372.900 2.736 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CCN1CCOCC1 15066553 QMZJTPDZPARFKX-UHFFFAOYSA-N 369.465 2.829 0 50 FFAA CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2F)ccc1OC 16576891 DTQFUYUKACOEFT-UHFFFAOYSA-N 352.387 2.984 0 50 FFAA CN(C)c1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 19881067 PBJXEXFOESKBCA-NAVXVDNBSA-N 367.493 2.943 0 50 FFAA O=C(c1nnn(Cc2ccccc2)c1-c1ccncc1)N1CCSCC1 206647044 BYMXUQRCRPZBQN-UHFFFAOYSA-N 365.462 2.577 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531591 FQFCUGIKBMTTAF-MFKMUULPSA-N 364.837 2.555 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C(C)C)C3)cn1 1857533104 IFZHHBXVCPKJME-QSFXBCCZSA-N 354.454 2.852 0 50 FFAA O=C(C1CCCC1)N1CCC[C@@]2(CN(CCC(F)(F)F)CC[C@H]2O)C1 1857694891 LGLKUHAPWFDZTR-NVXWUHKLSA-N 362.436 2.804 0 50 FFAA CC[C@@]1(C(=O)NC2CCCC2)C[C@@H]2CC[C@H]1N2C(=O)c1c(C)ncnc1C 1857711754 KTQWOMWCBKRSFB-CSODHUTKSA-N 370.497 2.926 0 50 FFAA CCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)O 225484704 IJWNUFTYMLJFEL-QZTJIDSGSA-N 368.433 2.917 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2ccc(CO)cc2)[C@@H]1c1cnn(C)c1 328634646 MVPHGYPATFLDRJ-PZJWPPBQSA-N 356.514 2.817 0 50 FFAA Nc1nccc([C@H]2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)C2)n1 329110893 QQMNWYQMIWOCAG-HNNXBMFYSA-N 367.453 2.795 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccn(-c2cccc(Br)c2)n1 237426342 QIUWFQJVOJNFFO-DGCLKSJQSA-N 363.259 2.587 0 50 FFAA O=C(c1ccc(F)cc1)N1CCN(Cc2nc(C3CCCC3)no2)CC1 130478192 XKMZVVKFNXHQRQ-UHFFFAOYSA-N 358.417 2.824 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)cc1C(F)(F)F 152261115 YCCAOSDATGYSEF-TXEJJXNPSA-N 351.390 2.843 0 50 FFAA CCc1nc([C@H]2OCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)n(CC)n1 2100537239 KDKFEUAUCDIESF-MOPGFXCFSA-N 370.453 2.673 0 50 FFAA CSCCC(=O)N1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)C1 2325860915 YVLUYYJHHGQQCA-SNVBAGLBSA-N 352.410 2.674 0 50 FFAA CCCCc1oc2ccccc2c1C(=O)N1CC[C@]2(CC(=O)NC2=O)C1 2325862689 DBPZUASMINTXEF-FQEVSTJZSA-N 354.406 2.654 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCOC2=O)cc1 918386690 JQMFLSFHACFZKD-UHFFFAOYSA-N 374.418 2.607 0 50 FFAA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc(F)cc2)CC1 657578 GCJBDPBUHQOZRQ-UHFFFAOYSA-N 352.365 2.895 0 50 FFAA CCCCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21 2250667 QAYKSVFIYWOPOZ-UHFFFAOYSA-N 351.406 2.832 0 50 FFAA CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cnccn1 2422178 XQERHFTVOPLUKT-UHFFFAOYSA-N 372.429 2.933 0 50 FFAA CCOc1ccc(C(=O)NCCNC(=O)c2ccc(OCC)cc2)cc1 2745718 YIOJAWKCPDDYBO-UHFFFAOYSA-N 356.422 2.644 0 50 FFAA CC(C)(C)NC(=O)COc1ccccc1C(=O)NCCOc1ccccc1 2863251 SIGUPECNDUKQIX-UHFFFAOYSA-N 370.449 2.789 0 50 FFAA Cn1ccnc1SCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 6705489 RBIMNTDSZMWCGG-UHFFFAOYSA-N 350.469 2.763 0 50 FFAA COC(=O)c1ccc2c(c1)CCCN2C(=O)NCCc1nc(C)oc1C 225506454 MKPJEIRCGQTUPN-UHFFFAOYSA-N 357.410 2.783 0 50 FFAA Cc1c(NCc2ccccn2)cccc1C(=O)NCCSc1cn[nH]n1 55271968 ZIUNVPGYYIDBSQ-UHFFFAOYSA-N 368.466 2.642 0 50 FFAA c1cnc(N2CCOCC2)c(CNCc2c[nH]nc2C2CCCCC2)c1 20540878 LIJVHXACAOHHPS-UHFFFAOYSA-N 355.486 2.979 0 50 FFAA COc1cc2c(cc1OC)CN(c1nccc(-c3cn(C)nc3C)n1)CC2 20536655 YHYJJJLVAOMKOY-UHFFFAOYSA-N 365.437 2.765 0 50 FFAA CCc1oc(C(=O)NC[C@H](O)Cc2ccccc2)cc1CN1CCCC1 55167704 QXERZQKWJNUKCO-GOSISDBHSA-N 356.466 2.771 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)CC3=CSC4=NCCN34)C[C@H]2N(C)C)cc1 102655170 XSPWCVUTLPZBHB-ZWKOTPCHSA-N 370.522 2.501 0 50 FFAA Fc1cnc(N2CCN(Cc3cc(CN4CCCC4)cs3)CC2)nc1 65396343 GBXGWUULLPRDFG-UHFFFAOYSA-N 361.490 2.595 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@H]1c1cccc(F)c1F 119770164 GUUXKCXOTMLKEK-NWDGAFQWSA-N 364.421 2.642 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)c1 67817924 LKRDHUMFXPSECS-QGZVFWFLSA-N 366.465 2.617 0 50 FFAA O=C(CCCc1nc(-c2cccnc2)no1)Nc1cnc2n1CCCC2 67784365 MWZXCNJYGCXOAB-UHFFFAOYSA-N 352.398 2.626 0 50 FFAA O=C(NCCNc1ccc(-n2cccn2)nn1)Nc1ccccc1Cl 65361956 FTIOAUNHJIGWFE-UHFFFAOYSA-N 357.805 2.549 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N(C)Cc2nccs2)n1C 328628537 NUWSGMXOBRBCPJ-OAHLLOKOSA-N 360.483 2.827 0 50 FFAA O=C(c1cc2nc[nH]c2cc1F)N1CCCC[C@H]1c1nnc2n1CCCC2 329346013 CBIKCLVWNXRZCK-INIZCTEOSA-N 368.416 2.997 0 50 FFAA Cc1cccc(OCC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c1C 72410685 SZDORTXENULCPI-GOSISDBHSA-N 360.498 2.642 0 50 FFAA CN1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1 216266963 SJFCTOILWUYPPF-OAQYLSRUSA-N 365.477 2.652 0 50 FFAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-n2cncn2)C1 72164854 OVNYHNRPUNHFNI-CQSZACIVSA-N 362.389 2.595 0 50 FFAA O=C(NCc1nc2ccccc2o1)c1ccc(CSc2nnc[nH]2)o1 219016461 YNZQITTVKTVNNO-UHFFFAOYSA-N 355.379 2.761 0 50 FFAA O=C(CCc1ccccc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 185942351 WSYBUIPFSAOVIW-UHFFFAOYSA-N 370.400 2.838 0 50 FFAA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 367367077 GVKBOABDKXWACE-VQIMIIECSA-N 362.429 2.841 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 73306728 QTFXDWXSXKTEBK-UHFFFAOYSA-N 364.449 2.860 0 50 FFAA O=C(CCCN1CCOCC1)N1CCC[C@H](COc2ccccc2F)C1 77319896 UPEGJXFVKXXIKM-KRWDZBQOSA-N 364.461 2.556 0 50 FFAA Cc1nccnc1N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 373026174 OUAHZRKZNWKMIZ-HNNXBMFYSA-N 360.508 2.526 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 72151022 RECOWIYKSGPVRO-INIZCTEOSA-N 373.497 2.771 0 50 FFAA CCO[C@@H](CC)CNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 72168429 DZMPFBPOZOEOSH-HNNXBMFYSA-N 369.469 2.670 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@@H]1c1ccnn1C 285412999 YOVOOKFZYWLMLW-HNAYVOBHSA-N 351.454 2.714 0 50 FFAA CC(C)N1CCC[C@@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 426442124 ZSIHXDDJHNHMPV-HNNXBMFYSA-N 361.515 2.953 0 50 FFAA Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCN([C@@H]2CCNC2)CC1 290056089 VJQYBXHNGFZYQL-QGZVFWFLSA-N 358.530 2.573 0 50 FFAA COCC1(CNC(=O)Nc2cc(Cl)c3c(c2)NC(=O)CO3)CCCC1 426495644 OPMVJKYMKUIEFD-UHFFFAOYSA-N 367.833 2.999 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCc1nc2ccccc2nc1O 96149664 SHOZHBWAICSRJZ-KRWDZBQOSA-N 367.453 2.696 0 50 FFAA CCc1cc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)n[nH]1 91505788 ZMJUETGUAUEVQJ-UHFFFAOYSA-N 364.453 2.632 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1csc(SC)n1)C2 95507575 WSRXUTGCOXLNAQ-SNVBAGLBSA-N 350.465 2.855 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C(=O)O 91943755 APYOGPUTHATKDZ-DLBZAZTESA-N 361.401 2.879 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 92097339 MHIOCKARRHHLFU-UHFFFAOYSA-N 369.465 2.659 0 50 FFAA COc1ccc(Cn2cc([C@@H](C(=O)O)N(C)Cc3cccnc3)cn2)cc1 95389460 WQXQHTNDFDEQMD-IBGZPJMESA-N 366.421 2.593 0 50 FFAA Cc1cnc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)s1 180414737 BIXPQAJYUJIOQD-UHFFFAOYSA-N 371.915 2.611 0 50 FFAA Cc1ccccc1CN(C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C)C1CCCCC1 91493017 SHAILRZOHGNFPQ-GOSISDBHSA-N 371.481 2.939 0 50 FFAA O=C(NCCCN1CCOCC1)Nc1cc(F)c(C(F)(F)F)cc1F 95523272 ZASKNVAIDWTPCZ-UHFFFAOYSA-N 367.318 2.827 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)NC[C@H]1COc2ccccc2C1 92037932 RLCJKVFWCADNIE-HNNXBMFYSA-N 360.417 2.828 0 50 FFAA CCCc1nc(C)c(CNC(=O)Nc2ccc(-n3cnnn3)cc2)s1 96133797 UCOWMPXQPPHNJT-UHFFFAOYSA-N 357.443 2.701 0 50 FFAA Cc1nc[nH]c1CSCCNC(=O)[C@H](c1ccccc1F)N(C)C 92062448 DSZMHUJLABNNNU-INIZCTEOSA-N 350.463 2.510 0 50 FFAA CC(C)=CCN1CC2(CCN(C(=O)CCc3ccncc3)CC2)CC1=O 91690937 JMWHEEKLTHUEQP-UHFFFAOYSA-N 355.482 2.822 0 50 FFAA Cc1cccc(-c2ncc(CN3CCC[C@@H](CS(C)(=O)=O)C3)cn2)c1 97288791 JLFIDXZMXTZXDG-MRXNPFEDSA-N 359.495 2.709 0 50 FFAA Cc1nnc(CNC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)s1 252488434 IRTFNFVMFZXCPA-SFHVURJKSA-N 361.467 2.877 0 50 FFAA CCOc1ccccc1N1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 268471546 MKWDBFCKOGDGPB-UHFFFAOYSA-N 374.395 2.787 0 50 FFAA CC(=O)c1ccc(-c2ccc(C(=O)NCCN3CCCOC3=O)cc2)nc1 534635490 YFRMEMPLRXTLAH-UHFFFAOYSA-N 367.405 2.523 0 50 FFAA CC(=O)N1CCN(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 534666309 PRHNOVBNVBZNEW-FQEVSTJZSA-N 366.465 2.662 0 50 FFAA CN1CCN(C(=O)c2cccc(-c3ccc4cc[nH]c4c3)c2)C[C@@H]1CCO 299757769 BDPQSPLIGYHIHN-FQEVSTJZSA-N 363.461 2.974 0 50 FFAA CC(C)Cc1cc(CNC(=O)c2cccc(-c3cc(N)ncn3)c2)on1 299796540 OTMJIYBRZPDCGX-UHFFFAOYSA-N 351.410 2.842 0 50 FFAA COCCN1CCC(CNC(=O)[C@@]2(c3cccs3)CC2(C)C)CC1 299773176 CUISAEAZLUUDJX-IBGZPJMESA-N 350.528 2.890 0 50 FFAA Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC[C@@H](O)c1ccc(O)cc1 299803075 WBLBGBYYZDFDSW-GOSISDBHSA-N 371.437 2.694 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CN(CC2=CCCCC2)CCO3)n(C)n1 825285659 FCVSNYORYZAUNK-UHFFFAOYSA-N 372.513 2.536 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1COc2ccccc2O1)CC3 584884734 MJUOMFSNQJTWQP-FQEVSTJZSA-N 364.401 2.901 0 50 FFAA Cc1ncc(C(=O)Nc2cccc(N3CCN(C)C3=O)c2)c(C2CC2)n1 1875320284 NZYYSBFIOWJBFL-UHFFFAOYSA-N 351.410 2.787 0 50 FFAA COCc1nc([C@H]2CN(C(=O)/C=C(\C)c3ccco3)C[C@@H]2C2CC2)n[nH]1 952849146 YYZOZRYXUCOANK-QQAGXBGCSA-N 356.426 2.600 0 50 FFAA Cc1c(NC(=O)CN(C)Cc2ccc(F)cc2)cccc1C(=O)N(C)C 952965843 UQRJZVKZMSRJIO-UHFFFAOYSA-N 357.429 2.906 0 50 FFAA O=C(c1ccc(CSc2ccccn2)cc1)N1CCN2C(=O)OC[C@@H]2C1 952983062 NVIGQWVGMXQPSX-INIZCTEOSA-N 369.446 2.651 0 50 FFAA CCc1nc2cc(NC(=O)[C@@H]3Cc4ccccc4C(=O)N3)ccc2n1CC 952983812 XGOGMOMUVOQCKJ-KRWDZBQOSA-N 362.433 2.912 0 50 FFAA CCn1c(C)cc(C(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)c1C 1565527920 ZHZNXKLJWYPUBJ-OALUTQOASA-N 357.454 2.624 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cc2c(s1)CCCCC2 1565505788 VBIRNELPKSPCIF-VLQPXKRTSA-N 360.523 2.999 0 50 FFAA CCCNC(=O)CN1CCC(Nc2ccc(Br)c(C)n2)CC1 271720413 LISONNIPFBRXPC-UHFFFAOYSA-N 369.307 2.555 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 275717136 YUOVBTWEXNYKSJ-OALUTQOASA-N 351.454 2.675 0 50 FFAA CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC3(CCCCC3)C2)c1 408279176 YCYAOOGVQSBICP-UHFFFAOYSA-N 367.515 2.888 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)[C@H]1CCC[C@H](C(F)(F)F)C1 408492996 FRYUYLCZHNYZLX-QNWJLWSRSA-N 353.406 2.990 0 50 FFAA Cc1nc(NC(=O)C(=O)N(C)Cc2ccc(OC(F)F)cc2)sc1C 170609841 IEZANESXEGLGDF-UHFFFAOYSA-N 369.393 2.958 0 50 FFAA CC(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 170895012 NUSSHQCVUQKNRX-UHFFFAOYSA-N 360.845 2.718 0 50 FFAA CN(C)c1cccc(CCC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 187967521 IWQCIAZGKMTASL-HXUWFJFHSA-N 365.477 2.775 0 50 FFAA COc1ncnc2c1CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC2 195498896 ZREKTLBJHMJWJP-QGZVFWFLSA-N 374.510 2.808 0 50 FFAA Cc1ccc2nc(CN3CCCN(C(=O)c4oc(C)nc4C)CC3)cn2c1 1529109946 HIXBTTAZUFBELI-UHFFFAOYSA-N 367.453 2.596 0 50 FFAA Cc1cc2ccccc2n1CCNc1nccc(N2CCC[C@H](O)C2)n1 1529198967 QXSBJOLULKNRLM-KRWDZBQOSA-N 351.454 2.813 0 50 FFAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)c1ccc(N2CCCC2)cc1 1615964548 PMPHSWYCZBFBTH-ICSRJNTNSA-N 351.450 2.669 0 50 FFAA CN(CCN(C)C1CCCC1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 1616117176 LFEPQFYFFTUJJJ-MOPGFXCFSA-N 363.546 2.748 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)[nH]n1 11664608 SJUCRYVWUHUYIU-LJQANCHMSA-N 369.513 2.782 0 50 FFAA Cc1cccc(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)c1 11697482 JCZTVUPZQRGTJZ-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA O=C(N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)c1ccsc1 12373180 OGPNJTKMJOEFAC-MRXNPFEDSA-N 372.494 2.554 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccc(C)cc3)CCC2=O)cc1 15006731 KVCAEMJWJMFWQP-UHFFFAOYSA-N 352.434 2.878 0 50 FFAA CNC(=O)Cn1cc(-n2ccnc2-c2ccc3cccc(Cl)c3n2)cn1 1857690507 LJTQGOQTBGJCBI-UHFFFAOYSA-N 366.812 2.683 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c1 1857723107 SYFNSVKSOYWTAI-QEUVDIPISA-N 353.466 2.665 0 50 FFAA CN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](c1ccc(Cl)cc1)C(F)(F)F 163222493 FLTMXRNGXISUIR-CMPLNLGQSA-N 369.792 2.837 0 50 FFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 2100557509 WIBSLHHQHYZYLC-JTQLQIEISA-N 352.360 2.890 0 50 FFAA O[C@@H](CN1CCC(c2nnc3cnccn23)CC1)c1ccc(Cl)cc1 2325717018 WDZMLYGSHLXDJI-INIZCTEOSA-N 357.845 2.691 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCN[C@@H]([C@H]4CCCO4)C3)cc2)c1C 2325795340 AUDUJZFNXIWKJB-NSISKUIASA-N 368.481 2.975 0 50 FFAA Cn1ncc2cc(CC(=O)N3CC4(CCNCC4)c4ccccc43)ccc21 2325823861 GIKNZSXEUAMJKC-UHFFFAOYSA-N 360.461 2.784 0 50 FFAA COc1ccc(-c2nc([C@H]3C[C@@H]3C)n(-c3ccnc4c3cnn4C)n2)nc1 2325865950 VNDQECPTUDRAKW-AAEUAGOBSA-N 361.409 2.743 0 50 FFAA COc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 665353 GYQZSTSLIOXEFG-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 953382 PZAVSCFJBZLRKN-NSHDSACASA-N 350.362 2.608 0 50 FFAA CCOC(=O)N1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)CC1 971960 FQGDAIFIVMXXFL-UHFFFAOYSA-N 354.834 2.636 0 50 FFAA Cc1cc(C)n2nc(C(=O)N(Cc3ccsc3)C[C@@H]3CCCO3)nc2n1 55385735 ANTAPDDTMTXINC-HNNXBMFYSA-N 371.466 2.624 0 50 FFAA CCOc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)cc1 20450244 LXUFEQNODLVORB-NRFANRHFSA-N 369.509 2.858 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 101678551 QHXIPLQUZOVGSQ-NBLIUIFLSA-N 366.339 2.675 0 50 FFAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccc(Cl)c(F)c3)C2)CC1 67771238 SRDDOMYAYNTHIR-CQSZACIVSA-N 353.869 2.768 0 50 FFAA CN(Cc1cccc(C(=O)/N=c2\[nH]ccn2C)c1)C1Cc2ccccc2C1 67834061 WCKCCNALZWWTRU-UHFFFAOYSA-N 360.461 2.694 0 50 FFAA Cc1cccc(-c2ccc(C(=O)N3CCn4nc(C(=O)O)cc4C3)o2)c1 65374057 JUBMEPRVGMOUGI-UHFFFAOYSA-N 351.362 2.806 0 50 FFAA Cc1nonc1CN(C)Cc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1 65490528 QCHPAQVHGBPXKJ-UHFFFAOYSA-N 368.441 2.613 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1nc(=O)c2ccccc2[nH]1 1506422885 SOKXNKPRYZYAAR-HNNXBMFYSA-N 365.437 2.513 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 65363232 LAEKNQURMKYQGE-GOSISDBHSA-N 366.527 2.870 0 50 FFAA COCc1ncsc1C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 423612532 POLKSVAAQGKKTC-AWEZNQCLSA-N 351.859 2.730 0 50 FFAA CCc1c(C(=O)N2CCC[C@H](c3nn(C)c(=O)n3CC)C2)csc1C 67650657 ZKIBQOJMXJJTTC-ZDUSSCGKSA-N 362.499 2.554 0 50 FFAA O=C([C@@H]1CCCO1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1 11813834 QCZJMFKIACSMSL-FQEVSTJZSA-N 358.482 2.831 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)C(C)(C)NC(=O)c1cccs1 65407943 JUMZYAQFDVNQPG-UHFFFAOYSA-N 370.478 2.802 0 50 FFAA COc1ccc2oc(C)c(C(=O)N(CCC(=O)O)C3CCOCC3)c2c1 328594961 GXZIATBOWKPYCZ-UHFFFAOYSA-N 361.394 2.846 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2ncc(Cl)n2C)[C@@H]1c1cnn(C)c1 328622625 BKBCGXYOBGWVEF-KBXCAEBGSA-N 364.925 2.712 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 77522020 XHRRCOMIPGAFCI-FQEVSTJZSA-N 355.482 2.965 0 50 FFAA O=C1OC2(CCN([C@H]3CCSC3)CC2)CN1CCOc1ccccc1 72417887 ISKKADYUJZIVTK-INIZCTEOSA-N 362.495 2.858 0 50 FFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1CCCC1 72151463 DQNSSSXQUKLMMW-FQEVSTJZSA-N 365.477 2.589 0 50 FFAA Cn1c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)ccc1-c1ccccc1 216447705 NGINMJLJTYYUCG-NRFANRHFSA-N 373.456 2.875 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)c1 77516300 NNAPEFZQNIMTNY-GOSISDBHSA-N 363.421 2.863 0 50 FFAA CN(C(=O)CCC(F)(F)F)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 331263297 FJJXIXYKWOPANY-SNVBAGLBSA-N 355.765 2.969 0 50 FFAA CN(C)c1ccc(CN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cn1 215907542 JPASSGGTTUNBFP-QGZVFWFLSA-N 364.453 2.972 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4cc(=O)[nH]cn4)C3)c2c1 77470267 YHQMIEBMQJHWIW-HNNXBMFYSA-N 362.433 2.955 0 50 FFAA CN1C[C@]2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)C2)OC1=O 72171708 RBSVMNDXPRUISZ-FQEVSTJZSA-N 353.422 2.713 0 50 FFAA COc1cc(CN2CC[C@H](N3CCN(C)CC3)C2)ccc1OCC=C(C)C 216455933 ZUTIJQBMRIXONO-FQEVSTJZSA-N 373.541 2.862 0 50 FFAA CCc1nc2c(c(NC[C@@H]3CCOC3)n1)CCN(Cc1ccoc1)CC2 72407906 KCWOKPKDTBZWKU-HNNXBMFYSA-N 356.470 2.681 0 50 FFAA Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc4cccnc34)CCO2)n1 131298434 JISHDWWGKBFESD-KRWDZBQOSA-N 368.412 2.728 0 50 FFAA CN(C)C(=O)c1ccc(N[C@@H]2COCC[C@@H]2OCc2ccccc2)nc1 222333620 XWZAOTDVBLGCJZ-MSOLQXFVSA-N 355.438 2.570 0 50 FFAA CC(C)Cn1cncc1CNC(=O)Nc1cccc(Cn2cncn2)c1 426401820 MMFMKRDZPRQUAT-UHFFFAOYSA-N 353.430 2.501 0 50 FFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1ccoc1 426632840 GGCDQOIQYOQWNO-UHFFFAOYSA-N 359.385 2.973 0 50 FFAA COc1ccc(C(=O)NCc2cc3n(n2)CCCN(CC(C)C)C3)cc1C 82120191 FAHDBAUUGKIUPV-UHFFFAOYSA-N 370.497 2.992 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 95361848 IZXPGVQKUOBHPR-QGZVFWFLSA-N 365.481 2.946 0 50 FFAA Cc1cccc(CN2CCN(C(=O)Nc3cncc(F)c3)[C@H](C)C2=O)c1 96139600 KKBHEOALJXPVHG-CQSZACIVSA-N 356.401 2.794 0 50 FFAA CCNc1ncc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)cn1 96149554 QGJNYIOOBRGOCG-QGZVFWFLSA-N 350.426 2.666 0 50 FFAA Cc1ccsc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1 91792905 MYPBUNBZWCAHQE-HNNXBMFYSA-N 357.479 2.849 0 50 FFAA CCN(C(=O)Nc1ccc(/C=C/c2ccccn2)cc1)[C@H]1COC[C@@H]1O 95501606 CPDQQVXPFCSEJD-BDJRERGKSA-N 353.422 2.866 0 50 FFAA O=S1(=O)CCC(Cc2nc(-c3ccco3)nn2-c2ccccc2)CC1 96132310 KRHGASZGSARXNX-UHFFFAOYSA-N 357.435 2.895 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1F)CC2 91547550 VDVUHEPEXGUXSQ-UHFFFAOYSA-N 365.468 2.731 0 50 FFAA CN(C/C=C/c1ccccc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 91441607 GBWIQCLDYKBUCS-VMPITWQZSA-N 370.474 2.913 0 50 FFAA CCOCC(=O)N1CCC(c2ncnn2-c2ccc(F)c(Cl)c2)CC1 91872441 ZFJANISWYPGUQM-UHFFFAOYSA-N 366.824 2.802 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC(N4CCSCC4)CC3)[nH]n2)o1 91997182 IWUQLSYZAJQYGL-UHFFFAOYSA-N 360.483 2.632 0 50 FFAA CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)ccc21 239302871 FSVGDZFIYMHMPZ-PBHICJAKSA-N 362.495 2.661 0 50 FFAA CC(C)C[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C(N)=O 96162137 UCUPVYNMMIRWOL-INIZCTEOSA-N 360.458 2.837 0 50 FFAA C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245240731 SCMRAVQXCAHESR-YDHLFZDLSA-N 373.405 2.568 0 50 FFAA biogenic Cc1cn2c(=O)cc(CN(Cc3c(C)nn(C)c3C)C3CC3)nc2s1 252500835 TWGABFQOAFOPAW-UHFFFAOYSA-N 357.483 2.579 0 50 FFAA Cc1nc(O)c(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(C)c1Cl 253535612 JETPQFVEOBQACV-OZVIIMIRSA-N 361.829 2.694 0 50 FFAA CSCC[C@H](C(=O)Nc1cccc(-n2nnnc2C)c1)n1cccc1 263587373 GEJMRVMUUWZSDI-MRXNPFEDSA-N 356.455 2.705 0 50 FFAA CC[C@H](CNC(=O)N(C)Cc1[nH]c2ccccc2c1C)N1CCN(C)CC1 534656043 KRPFZBCWNQDOQU-QGZVFWFLSA-N 371.529 2.644 0 50 FFAA CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC(=O)CSC)C[C@@]1(C)CO 299759601 PDAFUVAKIVRYTC-JLSDUUJJSA-N 370.946 2.953 0 50 FFAA C[C@@H](Cc1cccnc1)NC(=O)Nc1ccccc1CCC(=O)N(C)C 299760361 JLJREYHSVNWZQG-HNNXBMFYSA-N 354.454 2.855 0 50 FFAA Cc1csc(SCC(=O)N2CCC(Cc3nc(C)no3)CC2)n1 299771667 VUCFNGXOZHXOBH-UHFFFAOYSA-N 352.485 2.716 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)[C@H]3CN(C)c4ccccc4O3)CC2)n1 299775887 LCDLJIVLGLXGLU-QGZVFWFLSA-N 370.453 2.796 0 50 FFAA Cc1ccccc1-n1nc(COc2ccccc2)nc1[C@@H]1C[C@@H](O)CN1 828901682 NFVKRNGKKRHBME-WBVHZDCISA-N 350.422 2.550 0 50 FFAA CO[C@@H]1C[C@H](C(=O)O)CN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330375 PHODHXZQLGPCLP-WDEREUQCSA-N 353.850 2.670 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2COc3c(C)cccc3C2)cc1 1875374013 XKZYSFKTXRAUSO-QGZVFWFLSA-N 350.418 2.877 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccccc3)CC(C)(C)O)n[nH]c21 1875394051 SUFZNLIRDOGOAT-KGLIPLIRSA-N 357.454 2.845 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CC23CCN(c2cccc(F)n2)CC3)n[nH]1 952894046 LOENFWPPBLDLQS-HNNXBMFYSA-N 357.433 2.856 0 50 FFAA CN(C)Cc1cc(-c2noc([C@@H]3CCc4cnn(C)c4C3)n2)ccc1F 952963465 OPNMNKIHSWJPBN-CYBMUJFWSA-N 355.417 2.943 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCN[C@H]2CCc3ccccc3C2)cc1 952986991 HWKQYKKRFZLWAV-IBGZPJMESA-N 358.507 2.811 0 50 FFAA NC[C@@H](CO)Cc1cc(-c2cc(F)cc(Cn3ccnc3)c2)ccc1F 899324498 MPSYNVQMQXWTMA-HNNXBMFYSA-N 357.404 2.986 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)s1 1565516297 XVFIHOXCFMDWCK-CABCVRRESA-N 372.494 2.719 0 50 FFAA CCOc1ccc(CN2CCN(c3nccn4nc(C)cc34)CC2)cc1 302314123 PSYLJSPRVWAWCS-UHFFFAOYSA-N 351.454 2.759 0 50 FFAA Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)N(C)CC(C)C)C3)[nH]c2c1 408172582 YIXHNDPTPITGLH-HNNXBMFYSA-N 364.515 2.883 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc21)N1CCCN(c2nccs2)CC1 171761498 NDKLULITNAJVLM-OAHLLOKOSA-N 372.494 2.931 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 188835473 SJGDVDCHPMOUFM-ZDUSSCGKSA-N 362.476 2.662 0 50 FFAA CCO[C@@H]1C[C@@](O)(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1(C)C 189429577 DKGLZHLISJFWQA-JNAXZKDPSA-N 362.470 2.860 0 50 FFAA Cc1n[nH]c(C)c1NC(=O)CN1CCc2cc(Br)ccc2C1 192254136 YKBADCAKLSQGJR-UHFFFAOYSA-N 363.259 2.786 0 50 FFAA CCOc1cc(CN(CCO)Cc2cncn2C)cc(Cl)c1OCC 1704310791 SSIPYRMGJLDSSW-UHFFFAOYSA-N 367.877 2.865 0 50 FFAA COc1ccc(C(=O)N2CCCN(C(=O)[C@@H]3CC34CCC4)CC2)c(C)c1 1704338171 MQQFGQPJJFBLDB-SFHVURJKSA-N 356.466 2.868 0 50 FFAA CC(C)CCOc1cccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)c1 1616078703 AKVGGJVEEBGFIJ-RXVVDRJESA-N 355.482 2.937 0 50 FFAA CC(=O)c1cc(CN2C[C@H]3COC[C@@H]2CN(Cc2cccnc2)C3)cs1 1772705134 WWAVPXXLVKARAE-OALUTQOASA-N 371.506 2.679 0 50 FFAA O=C(CCOc1ccccc1)N1CCCN(Cc2nccn2C2CC2)CC1 1772712227 JYAMUOSJQUUHCX-UHFFFAOYSA-N 368.481 2.721 0 50 FFAA Cc1n[nH]c(CCC(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n1 11821063 MHCBGJJUXVOCLV-UHFFFAOYSA-N 373.363 2.828 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@@H]3CC(C(C)C)=NO3)CC2)c1 12201691 UPWCUPPZODKTRK-IBGZPJMESA-N 374.481 2.640 0 50 FFAA Cc1ccnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 13543674 MDFDCSQHASJKOH-UHFFFAOYSA-N 350.407 2.940 0 50 FFAA CCCO[C@@H]1CCCN(Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 13594711 YYXULWQRXANGTM-MRXNPFEDSA-N 359.426 2.914 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CCN(C1CCOCC1)C2 14974241 QATBEVMJOWMPKL-HXUWFJFHSA-N 364.436 2.958 0 50 FFAA CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2=O)cc1 18116484 HWRJLMWRUMKBEE-LZWOXQAQSA-N 357.454 2.502 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(Br)c1 169299100 NLDSSGYILWJOCN-LPWJVIDDSA-N 354.200 2.574 0 50 FFAA Cn1c(CN2CCCN(C(=O)c3ccsc3)CC2)nc2ccccc21 154939773 IYIOPWBYDHUEGP-UHFFFAOYSA-N 354.479 2.983 0 50 FFAA Cc1cnc(CN2C[C@H](C(=O)O)C3(CCN(CC4CCCCC4)CC3)C2)[nH]1 1857705874 ZDWDTVWLWZTQFY-GOSISDBHSA-N 374.529 2.897 0 50 FFAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3ccccc3C(F)(F)F)C[C@H]2CO1 1857715714 DUNZQXWEFMXBOJ-DVOMOZLQSA-N 356.388 2.933 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)on1 1857733997 JGCFCWGLMPQVPW-YQQAZPJKSA-N 361.829 2.581 0 50 FFAA CNC[C@@H]1CCCN(C(=O)c2cccnc2Nc2ccccc2OC)C1 237249312 GYFDZXIWLNHOBJ-HNNXBMFYSA-N 354.454 2.905 0 50 FFAA C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)Oc1ccc(Cl)cc1 155627480 FQEQQCUMDKATFO-KSSFIOAISA-N 366.889 2.867 0 50 FFAA O=C(O)C1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 263487719 PYHDDZZNPAVODF-IJGSQOGDSA-N 368.380 2.691 0 50 FFAA O=C(c1ccc2cc[nH]c2n1)N1CCN(c2ncnc3ccsc23)CC1 499846419 PRQOCOAJPXWUOM-UHFFFAOYSA-N 364.434 2.530 0 50 FFAA c1cc(CN2CCCCCCC2)ccc1CN=c1ccc2nncn2[nH]1 2325750560 ZMOBEANPFURIIU-UHFFFAOYSA-N 350.470 2.924 0 50 FFAA Cc1cccc2c(C(=O)N[C@@H]3CCCc4c3cnn4CCO)nccc12 2325769882 HIFMPQATUZHVGY-QGZVFWFLSA-N 350.422 2.539 0 50 FFAA CCc1cc(=O)c2cc(NC(=O)[C@@H]3CC(C4CCOCC4)=NO3)ccc2[nH]1 2325784974 XECDLBBGIFNJOX-IBGZPJMESA-N 369.421 2.601 0 50 FFAA C[C@@]1(CNC(=O)c2cnn3ccc(N)cc23)CCN(Cc2ccccc2)C1 2325795502 IZAXGQIDRRBHDN-NRFANRHFSA-N 363.465 2.559 0 50 FFAA CCc1ccc2c(c1)CCCN2CC(=O)N[C@H](Cc1ccccc1)C(=O)O 2325863238 BDTYICLGFCCZQL-LJQANCHMSA-N 366.461 2.814 0 50 FFAA Cc1ccc(-c2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 904413 MWMVLTRCHCNDDU-UHFFFAOYSA-N 360.468 2.681 0 50 FFAA O=C(O)c1cc2c(s1)CCOC21CCN(CC2CCOCC2)CC1 2356146204 WLBLUVLRZDZKNR-UHFFFAOYSA-N 351.468 2.737 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cccc3nonc23)C[C@H]1CCO 104436200 FJPFFSQFZAYHAI-LJQANCHMSA-N 366.465 2.600 0 50 FFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cn(C)c2ccc(C)cc2c1=O 65385775 MFWMKSTXBGVVMO-HNNXBMFYSA-N 368.433 2.853 0 50 FFAA O=C(c1ccc(NCCO)nc1)N1CCC(CCc2ccccc2)CC1 67756073 RZQDIPPOFMIWSO-UHFFFAOYSA-N 353.466 2.971 0 50 FFAA CCN1CCN(CC(=O)N2CCC[C@H](CCc3ccccc3F)C2)CC1 20994450 YPVQZCLEAMMGMY-GOSISDBHSA-N 361.505 2.634 0 50 FFAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(=O)N3CCC[C@@H](O)C3)c2)C1 229785161 OUJJFEVIFUHBST-LZQZEXGQSA-N 374.481 2.704 0 50 FFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)nc(C)n1 67674723 OYVCDDAIULVCJX-UHFFFAOYSA-N 351.385 2.821 0 50 FFAA Cc1cc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c2ccccc2n1 1015908 MLAXVTIKQNRPAV-INIZCTEOSA-N 355.291 2.964 0 50 FFAA COCc1noc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 252830802 RPMWRISFZVBXIJ-OLZOCXBDSA-N 357.332 2.543 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2)c1OC 12228539 AKBGKWXIXUQOSE-NRFANRHFSA-N 358.482 2.928 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCC(Oc3cccc(F)c3)CC2)c1C 77459673 YDEDSAIBNGPZTK-UHFFFAOYSA-N 373.428 2.912 0 50 FFAA Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 126653890 QVOOPFGYBFBKJN-FUHWJXTLSA-N 355.482 2.717 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1ccc(-c3cc[nH]n3)s1)C2 72475895 XWWHPBAWYSLEPW-UHFFFAOYSA-N 371.466 2.758 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)[nH]n2)cc1 32822910 HJJQPFXJJGTBBM-UHFFFAOYSA-N 361.449 2.738 0 50 FFAA C[C@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N(C)c1ccccc1 153488088 UDDIDKBFWBCGPG-MRXNPFEDSA-N 368.485 2.587 0 50 FFAA CN1C[C@@H]2C[C@@H](c3cnn(-c4cccc(Cl)c4)c3)N3CCC[C@@]23C1=O 12481755 YOEAVCIRRFVAKJ-FNHZYXHNSA-N 356.857 2.893 0 50 FFAA CC(C)N[C@@H]1CC[C@@H]1NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 72174547 VQSKWWJWKJJUAX-ZJUUUORDSA-N 360.405 2.912 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)c1 72169394 CMGRYQAYHBPYRP-AWEZNQCLSA-N 369.417 2.961 0 50 FFAA Nc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCc4ccccc4)C3)C2)n1 77338577 RGLNTJSIWKIHFD-NRFANRHFSA-N 365.481 2.511 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cnc(N3CCCC3)nc2)CC1 72129606 GTECJODWPYLMFH-UHFFFAOYSA-N 351.498 2.703 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H](N)c3ccccc3)C2)n1 237742538 IUQLQRNNNNEDFV-ZWKOTPCHSA-N 366.465 2.657 0 50 FFAA CN1C[C@@]2(CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O 72410977 SACLWGLSIBPGLI-HXUWFJFHSA-N 367.453 2.505 0 50 FFAA Cc1ccc2nc(C)c(C(=O)NCc3noc(-c4cccs4)n3)n2c1 216224090 AFIWAWNGVXJNPS-UHFFFAOYSA-N 353.407 2.993 0 50 FFAA CN(Cc1ccoc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCCCO1)C2 72169871 YTAUPNUXCQJFPC-FQEVSTJZSA-N 358.486 2.883 0 50 FFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 454420259 CPXBOWHVTHCTFB-GFCCVEGCSA-N 353.469 2.727 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccccc2F)C1 72428215 ZAEFBTACZPARQJ-OAHLLOKOSA-N 371.460 2.570 0 50 FFAA CCc1nnc(CN2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n1C 286475013 YPGWJZZJTYSGMK-SNVBAGLBSA-N 358.368 2.593 0 50 FFAA CC(C)(C)c1cc(C(=O)NCCc2nc3ccccc3s2)[nH]c(=O)n1 222417631 GHGPHRKUYRGPIF-UHFFFAOYSA-N 356.451 2.650 0 50 FFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1nc(CC)[nH]c1C)CC2 14745005 MRNHBXNQZGCZNW-UHFFFAOYSA-N 371.485 2.622 0 50 FFAA CCn1cc(CN2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)cn1 82092720 ORLNXONRLRJLSM-UHFFFAOYSA-N 369.465 2.890 0 50 FFAA CN1CCC(N2CCN(C(=O)c3cccc(-c4ccccn4)c3)CC2)CC1 426519006 RCDCLNXQOAVHBW-UHFFFAOYSA-N 364.493 2.601 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 426397646 VPWGQQMXIWJEAI-GOSISDBHSA-N 372.490 2.908 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)c2cnc(-c3ccccn3)nc2O)c1C 91390803 IJSWQXVAOLPDCR-NSHDSACASA-N 366.425 2.568 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1=O 91973945 YQHHAGUFGHBACU-FQEVSTJZSA-N 354.454 2.960 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)C1CCN(Cc2ccco2)CC1 95367044 INFAZAUDDXZWFJ-UHFFFAOYSA-N 371.485 2.905 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)NCc1cnn2cccnc12 91997842 KUCZNBPGSRHCHX-UHFFFAOYSA-N 351.193 2.731 0 50 FFAA C[C@@H](NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1)C(=O)O 95516797 POCQTWRWZKAFOR-QGZVFWFLSA-N 366.461 2.810 0 50 FFAA O=C(NCCC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@@H](C(=O)O)C1 97547811 XOHANDUFZRYKHN-RBUKOAKNSA-N 358.482 2.906 0 50 FFAA O=C(CN1CCCCCC1=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 180334064 VLHCEGSXDFHTDN-ZDUSSCGKSA-N 367.852 2.577 0 50 FFAA CC[C@@]1(C(=O)O)CCCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 91782325 SJRVVZIJAUULQX-LJQANCHMSA-N 372.425 2.558 0 50 FFAA CCCc1cc(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)[nH]n1 97307341 VMYPXHIIGBVGBJ-UHFFFAOYSA-N 374.460 2.728 0 50 FFAA CCn1c(C)cc(C(=O)N[C@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1C 252527653 DCADBJARYGAVQQ-JTDSTZFVSA-N 357.454 2.770 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cn2cc(Cl)ccc2n1 252551050 TWAMHBARURDFQS-CJBNDPTMSA-N 356.813 2.625 0 50 FFAA CCN1C[C@@H](NC(=O)N(Cc2ccccn2)Cc2sccc2C)CC1=O 534674468 DTGHCKUYGWFRJR-INIZCTEOSA-N 372.494 2.784 0 50 FFAA Cc1cccc(N2CCN(C(=O)NCCc3nncn3C(C)C)CC2)c1C 534657124 BNKWCOAJQODMMC-UHFFFAOYSA-N 370.501 2.550 0 50 FFAA Cc1nc(-n2[nH]c(-c3ccccc3)cc2=O)[nH]c(=O)c1Cc1ccccc1 100916375 GLPVCQXKUXQMEF-UHFFFAOYSA-N 358.401 2.815 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2ccc(-n3ccnc3)cc2)CC1 299765446 HAIJRNXMEFSFTF-UHFFFAOYSA-N 357.414 2.615 0 50 FFAA O=C(C1CCOCC1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299780213 IUXDVNXBACIFBV-WFXMLNOXSA-N 357.450 2.910 0 50 FFAA CCn1ncnc1[C@H](NC(=O)CSc1nc2cc(C)ccc2[nH]1)C1CC1 299760200 OWJBWXOERZBEMX-MRXNPFEDSA-N 370.482 2.842 0 50 FFAA O=C(Nc1ccc2c(c1)COC2)N1CCCC[C@@H]1CCN1CCOCC1 299798621 RKDFHPFCZOWNOO-LJQANCHMSA-N 359.470 2.826 0 50 FFAA Cc1cccc([C@H](NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C2CC2)n1 827917486 OLLVXDMXKXCOLB-LJQANCHMSA-N 370.497 2.885 0 50 FFAA Cc1cccnc1C[C@@H](C)N(C)C(=O)NC1CCN(C(=O)CC(C)C)CC1 584895128 AUAMXKAKGNKCFR-QGZVFWFLSA-N 374.529 3.000 0 50 FFAA CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc3nc(N(C)C)[nH]c3c2)C1 1875293126 CZPPQCJZQPLJEA-MRXNPFEDSA-N 370.375 2.812 0 50 FFAA Cc1nc(C(=O)N(C)Cc2cccc(Cl)c2)nc(N2CC[C@@H](N)C2)c1C 1875398448 QNOFJQAHMMPRNJ-MRXNPFEDSA-N 373.888 2.556 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)Cc3ncccc3F)C[C@@H]2C2CC2)n[nH]1 952848852 VRGNCVNYUGWSST-KGLIPLIRSA-N 357.433 2.657 0 50 FFAA c1cc(CN2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)n(CC2CC2)n1 952890552 CLRMNGVPCHBGAD-MSOLQXFVSA-N 352.486 2.914 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)c1c[nH]cc1-c1ccc(F)cc1 1875402139 CHQVZLAYIIETCB-UPRAQXHNSA-N 368.412 2.587 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(c3nc4cc(F)ccc4o3)C2)ccn1 886062827 PSNZCUHSYAJXPE-INIZCTEOSA-N 370.384 2.656 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)n1C 275796563 UNYYNWJGWKVNCI-INIZCTEOSA-N 358.511 2.917 0 50 FFAA Cc1nc2ncnn2c(Oc2ccc(O[C@H]3CCCCNC3=O)cc2)c1C 170654429 VMYHBYLCLDYHQT-INIZCTEOSA-N 367.409 2.581 0 50 FFAA CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@@H]4C(=O)NC[C@@H]43)cc2)n1 170608479 NUPAHEGXSGPOLU-GJZGRUSLSA-N 369.425 2.602 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCO[C@@]2(CCO[C@@H]2C)C1 280577777 VWPZQDFHGHPJGC-IYOUNJFTSA-N 352.862 2.855 0 50 FFAA CCn1ccnc1[C@H]1CCCCN1C(=O)CN1Cc2ccccc2C1=O 281502007 FMYZDJXCQGQBRA-QGZVFWFLSA-N 352.438 2.613 0 50 FFAA CC[C@]1(CO)CCCN1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 189665240 DNGHCMGLTJRTBO-MRXNPFEDSA-N 370.375 2.757 0 50 FFAA CCO[C@@H]1C[C@](O)(CNC(=O)N[C@@H]2CCCc3sccc32)C1(C)C 191457352 FKKMXNBQXLVMEH-SIIHOXLZSA-N 352.500 2.991 0 50 FFAA Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4NC3=O)CC2)s1 191957040 OGUGGYURSVTEDN-QGZVFWFLSA-N 369.490 2.768 0 50 FFAA Cc1occc1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 11934553 FABXYUXRYMJXBL-MRXNPFEDSA-N 370.453 2.658 0 50 FFAA C[C@H](COc1ccccc1)N1CCC(CCC(=O)N2CCOCC2)CC1 11934654 URBGRBCEYUZCBY-GOSISDBHSA-N 360.498 2.805 0 50 FFAA O=C(NC1CC1)C1CCN(C2CCN(C(=O)CC3=CCCCC3)CC2)CC1 12570335 YVDAMZAMJJBUDV-UHFFFAOYSA-N 373.541 2.859 0 50 FFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(CC(C)C)CC2 14732498 RFDKCLQKHKPHCN-UHFFFAOYSA-N 372.513 2.789 0 50 FFAA C[C@@H]1CCCCN1C(=O)C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O 16661450 WCNJUSALWCIPNY-GDBMZVCRSA-N 352.438 2.910 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)Cc3cccnc3)nc2)C1 19792935 OIACGDJFGGYUNZ-QGZVFWFLSA-N 354.454 2.612 0 50 FFAA COc1cccc(C(=O)N2CCC3(CC2)NC(c2ccccc2)=NO3)c1 169755040 KCQBRVRIHOXSNT-UHFFFAOYSA-N 351.406 2.609 0 50 FFAA Cc1nc(O)c2c(n1)CN(c1ncnc3scc(Br)c13)C2 1857530985 OZMCINADZHCXDJ-UHFFFAOYSA-N 364.228 2.778 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cccc(Cl)c4F)[C@@H]2CC(=O)N13 1857735978 DWNOXKMTADLKET-IYOUNJFTSA-N 366.820 2.677 0 50 FFAA COc1ccc(F)cc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857736179 YTJRGIJRRMLXRZ-FUHIMQAGSA-N 370.424 2.779 0 50 FFAA O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CC[C@H](Oc2ccccn2)C1 330063535 QDTVKCOWFGBXSV-HOCLYGCPSA-N 358.825 2.966 0 50 FFAA Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2ccn[nH]2)CC1)C(C)C 125495392 HCRGCAIKEZWEHT-IBGZPJMESA-N 368.481 2.879 0 50 FFAA CCCCS(=O)(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 12319639 AGZWCAPSYPSQJG-LJQANCHMSA-N 365.543 2.745 0 50 FFAA COC(=O)Nc1cccc(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 252482453 DFVUJUIJTBEBBJ-UHFFFAOYSA-N 363.377 2.665 0 50 FFAA CCn1ccnc1CN(Cc1cnn(CC(C)C)c1)[C@@H]1CC12CCNCC2 261827187 PTIZUIFVHPZTBO-LJQANCHMSA-N 370.545 2.900 0 50 FFAA O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)O)s1)c1ccccc1 262716231 CRQZJOOHDYSPCU-AWEZNQCLSA-N 372.446 2.871 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc32)CC1 264941171 SZLVTSWRAZQOBQ-LJQANCHMSA-N 364.445 2.892 0 50 FFAA O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@@H]1Cc1cccc(F)c1F 2325819079 QNOYCORVCAKHEJ-HUUCEWRRSA-N 359.438 2.871 0 50 FFAA Cc1ccccc1-n1nc(Cn2nccn2)nc1-c1cccc2oc(O)nc12 2325824175 RWKKSFXHJKRCCO-UHFFFAOYSA-N 373.376 2.729 0 50 FFAA CCCC[C@@H](C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2csc3cncn23)C1 2325855373 VFNMMHUGQUYNLC-MCIONIFRSA-N 362.499 2.799 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOC[C@H]2c2cccc(Cl)c2)CC1 2325887878 UXRXEXZSCBPAEE-KRWDZBQOSA-N 362.857 2.665 0 50 FFAA COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 991973 KXRPFFCDSXNBKX-CQSZACIVSA-N 371.364 2.613 0 50 FFAA O=C1C[C@H](C(=O)Nc2ccccc2)N=C(Nc2nc3ccccc3s2)N1 1178894 ZJROFLNPYQHUQA-CYBMUJFWSA-N 365.418 2.591 0 50 FFAA CC(C)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 2056282 VWTDONVDCSJXOD-UHFFFAOYSA-N 364.442 2.793 0 50 FFAA CN(C)[C@H](C(=O)N1CC2(COc3ccccc3C2)C1)c1ccc(F)cc1 2356133969 QBTBOEIIYARUOS-IBGZPJMESA-N 354.425 2.892 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cc(C)nc(O)c2)CC1 2356138494 CPTHNXVOVSHGKZ-UHFFFAOYSA-N 368.433 2.808 0 50 FFAA CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 3982174 HWKROQUZSKPIKQ-MRXNPFEDSA-N 352.500 2.667 0 50 FFAA investigational O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 20457840 AUVJYSHMBXPTQE-UHFFFAOYSA-N 362.836 2.630 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C[C@H]2CCCO2)CCO3)n1 67884701 YEKUFBVFZUNBAD-QGZVFWFLSA-N 355.438 2.839 0 50 FFAA Cn1cnnc1CCC(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65505681 RCBKFYORNASFOL-HXUWFJFHSA-N 352.438 2.605 0 50 FFAA COCCOCC(=O)N1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 67649651 FDJPYEOSAUNLQP-UHFFFAOYSA-N 371.433 2.752 0 50 FFAA OC1CCN(c2ccnc(N[C@@H]3CCCN(CC4CCCCC4)C3)n2)CC1 72408847 XLPNXNJBNKYBHW-GOSISDBHSA-N 373.545 2.894 0 50 FFAA CNC(=O)COc1cccc(CC(=O)N2CCC[C@H]2c2ccsc2)c1 119388521 BLESTATZOSENHX-KRWDZBQOSA-N 358.463 2.779 0 50 FFAA CCOC(=O)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1 22608939 FOKSHTXHVYAWJN-UHFFFAOYSA-N 364.405 2.558 0 50 FFAA O=C(Cc1ccc(F)c(F)c1)N1CCC(c2nnc3ccccn23)CC1 151542488 BAWNAXRDGBTTBF-UHFFFAOYSA-N 356.376 2.956 0 50 FFAA COC(=O)[C@H]1C[C@@H](OC)CN1CCCCCn1c(C)nc2ccccc21 328594090 OQEHXHWAUBJVEX-VQIMIIECSA-N 359.470 2.777 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4nccs4)C3)CCC2=O)cn1 77453367 UOYBIAWEMBQQJR-SFHVURJKSA-N 357.483 2.651 0 50 FFAA CCc1cc(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)nc(C)n1 72428003 BUWASZGDSNZKCO-HXUWFJFHSA-N 360.502 2.593 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)[C@@H]3CC3(F)F)CC2)c1 72428346 TUFHJDPQODKLIT-NSHDSACASA-N 357.328 2.614 0 50 FFAA O=S(=O)(NCc1ccc(Br)cc1C(F)(F)F)NC1CC1 331888296 QSJPFBWMCKHTRB-UHFFFAOYSA-N 373.194 2.554 0 50 FFAA COc1ccc2cc([C@H]3CN(c4ncccc4C(N)=O)CCO3)ccc2c1 71750266 HNLGYQYVYVWEKK-LJQANCHMSA-N 363.417 2.920 0 50 FFAA CCCON1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 216190308 YIRYCPGMTQPMOF-WXTZSCEWSA-N 359.036 2.991 0 50 FFAA C[C@H]1C[C@H](CN)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 261919946 ZGQNQASEEFHDSQ-UONOGXRCSA-N 367.478 2.805 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2)cc1 378230484 GXVYEQMFENEOID-UFYCRDLUSA-N 370.493 2.732 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3cccc(Cl)c3)nn2)n1 72140713 OUELUWUCZRFJCW-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CCc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 77452172 RUXPUXXUZJCIGD-UHFFFAOYSA-N 352.482 2.820 0 50 FFAA Cc1ccc([C@](C)(O)CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)o1 174488142 HJQRDQOCYLVNNY-HXUWFJFHSA-N 359.422 2.661 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N1CCC[C@@H](c2nccn2C)C1 82097935 BUOXUBWACSCUPL-OAHLLOKOSA-N 357.454 2.992 0 50 FFAA Cc1ccc2nc([C@@H](C)NC(=O)N3CCN(CC(F)(F)F)CC3)[nH]c2c1 426442554 NQJNAWWWVFTGAU-GFCCVEGCSA-N 369.391 2.822 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(N(C)C[C@H]2COc3ccccc3O2)n1 48428391 VSSUGCHZZGRVCK-HNNXBMFYSA-N 365.437 2.770 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@@H](CN)C2)cs1 178525785 BOFQWDCLHKZINP-LFAOLKIESA-N 357.479 2.851 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc(Cl)c(F)c2)CC1)N1CCN(C)CC1 82171039 OSEFNJAHBMSDFO-CQSZACIVSA-N 367.896 2.967 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1cccnc1 82156081 GKKCFSBJSVBYRV-AWEZNQCLSA-N 357.841 2.932 0 50 FFAA COc1ccc(S(=O)(=O)NC(=O)c2cc3nc(C)ccc3o2)c(C)c1C 179113360 VLJGURYVZJSACN-UHFFFAOYSA-N 374.418 2.880 0 50 FFAA COc1cncc(-c2ccc(C(=O)NCCCn3nc(C)nc3C)cc2)c1 426389196 BZRLOYWXYUBCMR-UHFFFAOYSA-N 365.437 2.786 0 50 FFAA CNc1ncc(C(=O)N(CCOC)Cc2cccc3ccccc23)cn1 97674375 XQPMCSGUZGFNRX-UHFFFAOYSA-N 350.422 2.960 0 50 FFAA CCCCOCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C 95355857 WGHMQHIGYQYVMU-SFHVURJKSA-N 358.482 2.810 0 50 FFAA COc1cccc(NC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95505173 QYORRNIAWXZTKE-INIZCTEOSA-N 371.485 2.865 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 97797378 KOADHRYOYHJCON-QGZVFWFLSA-N 355.369 2.522 0 50 FFAA CCc1cc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)cc(=O)[nH]1 97334133 ZOKLJYXBEVFGOF-GOSISDBHSA-N 350.422 2.695 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c(C)c1 91872215 FNIUQLSEHZEBPL-UHFFFAOYSA-N 371.525 2.710 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1oc3cc(C)ccc3c1C)C2 91503743 DARATJHATTWOJW-JKSUJKDBSA-N 370.449 2.759 0 50 FFAA Cc1ccc2nc(CCNC(=O)[C@@H](c3cccc(F)c3)N(C)C)[nH]c2c1 91519366 YJQNQRGMFPXOLE-LJQANCHMSA-N 354.429 2.972 0 50 FFAA O=C1N(C2CCCCC2)CCC[C@@]12CCN(c1ncnc3[nH]cnc13)C2 92065862 CIBDHBZFVBWZKI-IBGZPJMESA-N 354.458 2.505 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2cc(=O)[nH]c3ccccc23)c1C 91410641 NLDPZCBUHXLGDB-UHFFFAOYSA-N 351.406 2.821 0 50 FFAA COc1cccc([C@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@H]2N)c1 91468291 NKJLOYNKTNXGJC-WBVHZDCISA-N 360.841 2.550 0 50 FFAA COCCN(CC(=O)Nc1ccc(C)cc1C)Cc1c(C)nn(C)c1C 244673976 HZENRMJQFJXSPY-UHFFFAOYSA-N 358.486 2.741 0 50 FFAA O=C(CN(Cc1cccc(O)c1)C1CC1)Nc1nnc([C@@H]2CCCO2)s1 244678505 IEVMXRDDQPPGTR-HNNXBMFYSA-N 374.466 2.698 0 50 FFAA Cc1cccc(-c2noc(CN(C)Cc3noc([C@H]4CCCO4)n3)n2)c1 244734438 NFJZBCBQGKRURW-CQSZACIVSA-N 355.398 2.912 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)N1CCC(N2CCCC2)CC1)N(C)C 534584938 XYCBRNOIGQHPEV-KRWDZBQOSA-N 364.559 2.929 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)NCCOc1cccc2cccnc12 534589605 VKDQENSBYFWAQU-UHFFFAOYSA-N 368.441 2.628 0 50 FFAA Cc1nccc(N2CCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)n1 185365490 AAMKIGRRJPPGGD-UHFFFAOYSA-N 372.498 2.865 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc(-c2ncccn2)c1 299794331 JIGRPFOGEYLTFT-HXUWFJFHSA-N 373.460 2.933 0 50 FFAA O=C(NC[C@@]1(O)CCNC1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1 299773238 BDQXGJSWAVMFGN-GOSISDBHSA-N 364.367 2.827 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H](C)Cc1cnccn1 299777685 OQFRXOCXRFCJTL-HNNXBMFYSA-N 367.453 2.774 0 50 FFAA Cc1cnc2c(C(=O)NCCN3CC[C@H](c4ccccc4C)C3)cnn2c1 299765087 VEJSJCCOQWEDEO-KRWDZBQOSA-N 363.465 2.565 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)[C@H]1CCCN(c2ccccn2)C1 823819788 QDKXXLZBUSDMBY-KRWDZBQOSA-N 366.465 2.615 0 50 FFAA Cc1ccc(N2C=C(S(=O)(=O)c3ccccc3)C3=NCCN3C2=O)cc1 825182778 RUCKFEOEFMPKLW-UHFFFAOYSA-N 367.430 2.964 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 1875365864 JNPLKHLBOHCZOI-GOSISDBHSA-N 370.493 2.901 0 50 FFAA CC1=C(C(=O)NS(=O)(=O)[C@@H]2CCCc3ccccc32)SCCO1 1875317300 UETSMJQMGOHBHH-CQSZACIVSA-N 353.465 2.505 0 50 FFAA C=CC(=O)NCC1(C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1875370543 SQLHEHLZXPQKCW-UHFFFAOYSA-N 352.475 2.733 0 50 FFAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 880287875 MCSACGJPEZTWAN-XFPJRNFQSA-N 365.433 2.712 0 50 FFAA CN1C(=O)C[C@@H](CNc2ncnc3cccc(F)c23)[C@@H]1c1cccnc1 886039549 QCPREMGUUSWXIU-UGSOOPFHSA-N 351.385 2.795 0 50 FFAA C[C@@H]1C[C@H](CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 273165511 OCLDOQSFUMZZJP-GHMZBOCLSA-N 366.405 2.970 0 50 FFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2nc3ccc(Cl)cc3n2C)cn1 275565388 OARRQGGWDSZCAH-MAUKXSAKSA-N 359.861 2.970 0 50 FFAA CCC[C@]1(C)C(=O)NCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 187299461 DHNXMHPFUAZERH-QGZVFWFLSA-N 350.369 2.505 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCS(=O)(=O)c2ccccc2C1 170599305 REIKQZJFXHOWAO-UHFFFAOYSA-N 367.430 2.506 0 50 FFAA C[C@H]1CN(C(=O)c2cnc3ccc(Br)cc3c2O)C[C@@H](C)O1 170600300 LDPXLWFTYYEYRR-AOOOYVTPSA-N 365.227 2.952 0 50 FFAA Cc1cc(Br)ccc1CC(=O)N1CC[S@@](=O)CC1(C)C 170610063 PBMFKJXLAWDRAD-HXUWFJFHSA-N 358.301 2.670 0 50 FFAA O=C1C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CCOc3ccccc32)CCN1 170842377 XVGVRFGXFQFIPV-MSOLQXFVSA-N 350.418 2.643 0 50 FFAA Cc1nc(CN2CCN(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)CC2)oc1C 189717275 SSMSQRSSBZWNJF-AWEZNQCLSA-N 372.473 2.809 0 50 FFAA CCO[C@H]1C[C@@](NC(=O)Cn2c(C)cc3ccccc32)(C(=O)O)C1(C)C 193042621 MNSBEHBROWVQJN-OXJNMPFZSA-N 358.438 2.724 0 50 FFAA Cc1cc(O)nc(C)c1C(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074611678 PNVXHCWMZAFUSG-WOUAJJJCSA-N 352.434 2.780 0 50 FFAA O=C(c1ccnc(NCc2ccc3nc(O)[nH]c3c2)c1)N1CCCCC1 1529125529 NSGYEZCCTZXFOZ-UHFFFAOYSA-N 351.410 2.902 0 50 FFAA Cc1cccc(CCN2CCCN(C(=O)COCc3ccccc3)CC2)n1 1529172835 PZTJRYGDVMVLFO-UHFFFAOYSA-N 367.493 2.684 0 50 FFAA COCCN(C)C(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704308759 JPKYZEDJPWRDSD-UHFFFAOYSA-N 359.426 2.669 0 50 FFAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(c3nnnn3-c3ccccc3)C[C@@H]21 1704299958 SLHPHJVRPBIGME-PBEJRMEISA-N 361.449 2.786 0 50 FFAA CCN(CCOc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704306063 VFQRBAMTFKEZIG-XOKHGSTOSA-N 355.862 2.743 0 50 FFAA O=C(O)[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)CC12CCOCC2 1800414324 NEHURIPTDUQUNF-GOSISDBHSA-N 353.418 2.722 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 1133839 IYNCVZVSBBGJKD-LFYBBSHMSA-N 371.798 2.567 0 50 FFAA O=C1CC[C@@H]2CN(Cc3cc(F)cc(Cl)c3)CC[C@@H]2N1CCCO 216759781 JFYNKZLLLNSUHN-PBHICJAKSA-N 354.853 2.674 0 50 FFAA CCn1ncc(S(=O)(=O)N2CCCCC[C@H]2c2cc(C)no2)c1C 12159388 GQUGEHNLZPMILH-AWEZNQCLSA-N 352.460 2.814 0 50 FFAA CC(C)c1ccc(O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc1 12383013 IXHKHLKKIXKGAE-INIZCTEOSA-N 354.454 2.716 0 50 FFAA Cn1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)ccc1=O 12471366 FEVUBIRROFZAGC-AWEZNQCLSA-N 361.392 2.544 0 50 FFAA CC(=O)NC[C@H]1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)O1 14887822 HKJNULNDAVHHFX-LJQANCHMSA-N 353.466 2.885 0 50 FFAA Cc1cccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)n1 19228484 AVALKPAGYRSBAA-FQEVSTJZSA-N 361.436 2.737 0 50 FFAA C[C@@H](NC(=O)c1nnn(-c2ccccc2)c1-n1cccc1)c1ccccn1 206649257 NGBHPDCTGSCRBH-OAHLLOKOSA-N 358.405 2.944 0 50 FFAA O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1ccc(F)cc1Cl 219656303 LVAMSJWPACHSOB-JGZJWPJOSA-N 364.808 2.574 0 50 FFAA COc1cccc(Cl)c1CC(=O)N=[S@]1(=O)CCC[C@@]2(CCCN2)C1 1857530434 OCYOMRVAANZQOG-XDHUDOTRSA-N 370.902 2.802 0 50 FFAA CN1CCN(C)[C@H](Cn2ccnc2-c2nc(-c3ccccc3)cs2)C1 1857706912 BJQOTERBNGMHRJ-INIZCTEOSA-N 353.495 2.919 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)Cc3noc4ccccc34)C[C@H]12 1857733196 ZEEUWHSGTMIEOP-XASIKMQRSA-N 368.433 2.830 0 50 FFAA O=C(Cc1cccc(F)c1)N1CCC(C2CCN(CCCO)CC2)CC1 1857734142 LKYBWRVKXVOJGG-UHFFFAOYSA-N 362.489 2.701 0 50 FFAA O=C1N(Cc2cc3c(cc2Cl)OCO3)c2ccccc2[C@@]12CCNC2 1875247646 ZMVCMTNORFSGMA-IBGZPJMESA-N 356.809 2.847 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC12CCOCC2 238121863 QRYDQSBHPKSZMO-ZDUSSCGKSA-N 353.365 2.585 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)COc1ccccc1 247791076 AAYSVHJQMUBWMA-MJGOQNOKSA-N 364.445 2.829 0 50 FFAA C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)c1nnnn1C1CC1 252490324 KPNXBRNVVQGXHY-GFCCVEGCSA-N 350.382 2.686 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@@H]21 253575969 VGLOFWHLPMVSBF-LCERPBOYSA-N 370.401 2.955 0 50 FFAA in-vitro Cc1nccn1CCCC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 811563961 OOTODKGAKYHXKK-HXUWFJFHSA-N 359.445 2.565 0 50 FFAA O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccc2cn[nH]c12 192230018 PICQTEVLGUOINX-GOSISDBHSA-N 364.449 2.584 0 50 FFAA Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](C)c1cccc(C(F)(F)F)c1 2325739132 OVVZAQJWPFMJCD-LLVKDONJSA-N 368.355 2.801 0 50 FFAA O=S1(=O)CCN(c2cc(NC3CC(CF)(CF)C3)ccc2F)CC1 2325756257 HMWCZZVAWVCEKN-UHFFFAOYSA-N 362.417 2.560 0 50 FFAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 2325778043 YTOWCYYRNJMCME-QWQRMKEZSA-N 369.421 2.856 0 50 FFAA C[C@@H]1CC(F)(F)CN1C(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 2325783245 HGOKUMVZEYQLCF-TZZQWBKVSA-N 352.362 2.880 0 50 FFAA Cc1nc2ncccc2cc1CCC(=O)NC[C@@H]1CN(C)CCC1(F)F 2325804899 AWIMLZUZYLOYQR-MRXNPFEDSA-N 362.424 2.574 0 50 FFAA O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1Br 1131917 IFXKMXLHZYNWLQ-UHFFFAOYSA-N 360.163 2.860 0 50 FFAA NC(=O)C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 2415384 CEJKGNAWHKMEOU-UHFFFAOYSA-N 353.422 2.615 0 50 FFAA COC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc2c1CCCC2 4858423 YNLKEFFRRYYVQB-UHFFFAOYSA-N 372.446 2.668 0 50 FFAA Cc1cc2ncn(C[C@H](O)CN3CC[C@@H](Oc4cccnc4)C3)c2cc1C 246770676 QKNIUMNCZJVGQY-IEBWSBKVSA-N 366.465 2.562 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)c1nc(COCC(F)(F)C(F)F)no1 350990438 OVWKDQXRPCDSGI-ZETCQYMHSA-N 350.316 2.989 0 50 FFAA COc1ccccc1N1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)CC1 9668950 GSWCQSSNTFDOHW-UHFFFAOYSA-N 362.433 2.772 0 50 FFAA CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)O1 25664735 ZHFVGOMEUGAIJX-DMRKSPOLSA-N 350.411 2.600 0 50 FFAA O=C(C1CCN(Cc2ccccn2)CC1)N1CCN(c2ccccc2)CC1 22241829 BMNSHRXPMKJHQZ-UHFFFAOYSA-N 364.493 2.642 0 50 FFAA Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1 20029162 NNUTXINJOJHNTF-UHFFFAOYSA-N 351.454 2.757 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 101719874 BTZIDJQRUXBZIL-XAMWDVODSA-N 361.397 2.942 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)c1ccc(-n2cnnc2)cc1)N(C)C 65396302 VYSHYYKARGMCFS-INIZCTEOSA-N 355.467 2.670 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1 24013714 OUUYEZVMYJGRSE-UHFFFAOYSA-N 374.506 2.614 0 50 FFAA Cc1cccc2c1[C@@H](NC(=O)c1cc(COc3ccccc3)[nH]n1)C(=O)N2 67696065 WMXYKUBJJYJRQM-GOSISDBHSA-N 362.389 2.720 0 50 FFAA Cc1cccnc1CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O 67673433 RZWHFJOCWCJAJC-JOCHJYFZSA-N 373.541 2.846 0 50 FFAA C[C@H](NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@@H]1CCCO1 2778256 LEUGHDDERXVQFI-XPTSAGLGSA-N 350.369 2.842 0 50 FFAA Cc1c[nH]ccc1=NC(=O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328627037 FSCNOTDXUPLFJE-MRXNPFEDSA-N 368.485 2.771 0 50 FFAA COc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)nn1 282620090 ZTZQDMGCONDANW-WFASDCNBSA-N 353.344 2.812 0 50 FFAA CC(C)c1ccc(-c2ncc(Cn3nnc4c(cnn4C)c3=O)s2)cc1 154418546 XWWLLSBWESIRNA-UHFFFAOYSA-N 366.450 2.820 0 50 FFAA O=c1n(Cc2cccc(F)c2)nc([C@@H]2CCCNC2)n1-c1ccccc1 71763800 LQWFMXCWEYOHOI-MRXNPFEDSA-N 352.413 2.688 0 50 FFAA COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)N3CCC3)c2)cc1 215450211 ICAPFVVHCDBKPI-CQSZACIVSA-N 374.462 2.581 0 50 FFAA C[C@H](C1CC1)n1nccc1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 156274407 ZXCMLNJHGOZILB-CXAGYDPISA-N 353.426 2.559 0 50 FFAA O=C(CCC1CCOCC1)NC1CCN(C(=O)c2ccccc2F)CC1 173488664 PFQQUUIGDOBPPD-UHFFFAOYSA-N 362.445 2.753 0 50 FFAA O=C(NC1CCCCC1)c1ccc(NC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1 333159265 NNTRSXBVILWEQM-DLBZAZTESA-N 370.497 2.822 0 50 FFAA Cc1nc([C@@H]2CCCN(c3ccc(C(=O)O)cn3)C2)cc(N2CCCC2)n1 72475865 QVCFGGGWIBYAOB-MRXNPFEDSA-N 367.453 2.862 0 50 FFAA Cc1ncc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)[nH]1 71750498 FVGDCEHTKYEDAC-CQSZACIVSA-N 368.220 2.599 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](C(=O)O)C2)c(C)n1[C@H](C)c1ccccc1 237767608 OPYIERXDAYTHAS-KDOFPFPSSA-N 356.422 2.640 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H](c4ncn[nH]4)C3)c2)n1 216009014 YZZJRTYKPATMIU-SFHVURJKSA-N 364.453 2.686 0 50 FFAA OC1CCN(CCCNc2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 72480795 OUVPVZYEVGWRDZ-UHFFFAOYSA-N 369.444 2.794 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(Cc1ccc([C@@H]3CCCCO3)s1)C2 215075982 GZTVIBPEWFMOQP-HNNXBMFYSA-N 361.467 2.980 0 50 FFAA O=C(O)CN(C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CC1 238091089 FWTAOKNSACNSRA-UHFFFAOYSA-N 353.300 2.580 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@@H](C)C2)cc1 77378067 ORUJDEOHACBPSU-KRWDZBQOSA-N 361.449 2.927 0 50 FFAA Cc1cc(C)c(CN2CC[C@]3(CCCN(C)C3=O)C2)c(-n2cccn2)c1 72480496 JDPNDVMMFGMSSX-OAQYLSRUSA-N 352.482 2.933 0 50 FFAA Cn1ccnc1[C@H](NC(=O)c1cn(C)c2ccccc12)C1CCOCC1 286938037 QTYNYIOFOAASTE-GOSISDBHSA-N 352.438 2.810 0 50 FFAA Cc1nnsc1CN(C)Cc1cc2ccccc2nc1N1CCOCC1 220079505 GMEBSGKCUYINLF-UHFFFAOYSA-N 369.494 2.863 0 50 FFAA Cc1cccc(-n2nnnc2SC[C@@H](O)CNc2ccc(F)cc2)c1 43191093 QCUKVWTUYMPWDL-INIZCTEOSA-N 359.430 2.675 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3ccc(Cl)cc3)C2)CN1CCCO 82100068 CLQASFBEBDNEAH-LJQANCHMSA-N 364.873 2.567 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCN(C2CCCCC2)C1 177631500 KOKPUJXIWNMNOM-MRXNPFEDSA-N 373.497 2.655 0 50 FFAA Cc1scc(C(=O)NCc2cc3n(n2)CCNC3)c1-c1ccccc1 82107674 DDFGKCRXRQFCSA-UHFFFAOYSA-N 352.463 2.953 0 50 FFAA O=C(c1cccnc1N1CCOCC1)N1CCC[C@H](Nc2ccccc2)C1 178659135 FGQYOVZKQBAAEW-SFHVURJKSA-N 366.465 2.635 0 50 FFAA CN(C)[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1F 95363103 VBAZZHUSTLIXGZ-IBGZPJMESA-N 356.441 2.939 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1F 95377922 SICSNNFCMMBXJM-SFHVURJKSA-N 359.397 2.944 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCN(CCc2ccncc2)CC1 91401459 IRJFTIONZFLZFU-UHFFFAOYSA-N 362.433 2.737 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)o1 97657171 IQKTVIDGIIMHFY-UHFFFAOYSA-N 370.375 2.972 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccncc3)C2)CN1CCc1ccccn1 91586998 RIRLOGYPBKXOCK-QFIPXVFZSA-N 364.493 2.924 0 50 FFAA Cn1ccnc1CC1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 162619632 KVYWFVWBIBNMHT-UHFFFAOYSA-N 361.829 2.897 0 50 FFAA Cc1nn2cc(CCNC(=O)c3c[nH]nc3C3CCCCC3)nc2s1 91493369 PPMFONWJFDCPNV-UHFFFAOYSA-N 358.471 2.843 0 50 FFAA COC(=O)N1CCN(c2cc(N)nc(SCc3ccccc3C)n2)CC1 95361452 MEKUFPSLLOHLBB-UHFFFAOYSA-N 373.482 2.548 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3ccc([C@@H]4CCCNC4)cc3)CC2)n1 95390126 JTIIFRMYKLFSDC-LJQANCHMSA-N 368.481 2.940 0 50 FFAA COc1ccc(C)cc1NC(=O)N(CCC(N)=O)CCc1ccccc1 96165398 IYCYSNIUKBAIJG-UHFFFAOYSA-N 355.438 2.956 0 50 FFAA CCc1nc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)no1 243932730 BYRXOYTZJCPYFB-SFHVURJKSA-N 360.433 2.957 0 50 FFAA Cc1ccccc1-c1noc(CCCC(=O)NCCn2ccnc2C)n1 244774106 POCVSPMMTUSESY-UHFFFAOYSA-N 353.426 2.689 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc(Cn2cccn2)c1 252522895 BJBVBNPOTJJRBK-WSTZPKSXSA-N 362.433 2.568 0 50 FFAA C[C@]12C(=O)O[C@@]34CCC[C@H]3[C@H]3[C@@H]([C@H]5[C@H]1[C@H]1CCC[C@@]16OC(=O)[C@]3(C)[C@@H]56)[C@@H]42 253596013 MAQOZODVFUNEDC-BJUQGWFISA-N 354.446 2.942 0 50 FFAA CCc1nnc(CNC(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)s1 534585395 OXATXXOXUWBPEZ-UHFFFAOYSA-N 368.466 2.554 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCCN(c2ccc(F)cc2)CC1 360523542 QIECSVMWFQGSGO-UHFFFAOYSA-N 352.413 2.983 0 50 FFAA CCn1ccc2cc(C(=O)N3CCN(CC4CC4)[C@@H](CCO)C3)ccc21 299782901 UJSMKVLKAAQVEP-IBGZPJMESA-N 355.482 2.580 0 50 FFAA CCCC[C@H](NS(=O)(=O)N1CCC(COC)CC1)c1cccnc1 822830922 QIJADGFSDLNTML-KRWDZBQOSA-N 355.504 2.506 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)NCCc2noc(C3CCC3)n2)C1 584902594 UPVUCTZYRWVUEL-UHFFFAOYSA-N 370.453 2.969 0 50 FFAA Cc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 584890768 SCPUSGCDNZFJAF-SFHVURJKSA-N 359.857 2.847 0 50 FFAA O=S(=O)(N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1)c1ccc(Cl)o1 1875297772 CQUYJIPXGGMVGU-XPUUQOCRSA-N 369.752 2.595 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CC3(CCSCC3)C[C@@H]2CO)cc1 1875380549 RTYGQYFLLUUIFM-MRXNPFEDSA-N 360.479 2.531 0 50 FFAA Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)NS(C)(=O)=O)c12 1875390310 LWTZIBOHZWSWGT-UHFFFAOYSA-N 365.798 2.541 0 50 FFAA Cc1c(C(=O)O)sc2[nH]cnc(=N[C@H]3C[C@@H](CO)c4ccccc43)c12 952876053 ZTNFTAHQYOQDIS-GWCFXTLKSA-N 355.419 2.753 0 50 FFAA CCN1C(=O)C[C@@H](CNC(=O)c2ccoc2C2CC2)[C@@H]1c1cccnc1 886033220 YJBFOTIJXWIJGK-YJBOKZPZSA-N 353.422 2.892 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CC[C@H](COc2ccccc2)C1 886088906 PHUGENDIIQSFBH-HNNXBMFYSA-N 355.438 2.845 0 50 FFAA O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1nccc2ccsc12 888100189 UIKMWYBPYHUUMR-MRXNPFEDSA-N 365.458 2.916 0 50 FFAA CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Br)c(O)c2)C1 170617775 BIMSLYDDEWAXIC-UHFFFAOYSA-N 371.231 2.960 0 50 FFAA COC(=O)C[C@](C)(NC(=O)c1cccc(OC)c1O)c1cccc(OC)c1 170602487 DZPUDXYAYAPMBU-FQEVSTJZSA-N 373.405 2.618 0 50 FFAA Cc1ccc(OCc2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)cn1 172173225 KCPYFWXQPMGJEU-LJQANCHMSA-N 351.450 2.889 0 50 FFAA O=C1CO[C@H](C(=O)NC2(C3CCCC3)CC2)[C@@H](c2ccccc2Cl)N1 1529119114 BSUOUWSUOCUCQT-SJORKVTESA-N 362.857 2.735 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4c(c3)CCCO4)C1)CC2 1704358690 QSUQWGHJSNOAGP-NRFANRHFSA-N 364.449 2.504 0 50 FFAA O=C(NCC1(O)CCCCC1)c1cc(COc2ccc(F)c(F)c2)on1 11841227 LJTIHABKDPPLAO-UHFFFAOYSA-N 366.364 2.957 0 50 FFAA CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 12003007 HWNHBIAHRNCFDU-CQSZACIVSA-N 359.474 2.656 0 50 FFAA CC(C)c1nc(CNC(=O)c2cn(Cc3ccccc3F)nn2)cs1 12431967 MARSAUPAQFUXAC-UHFFFAOYSA-N 359.430 2.975 0 50 FFAA O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669443 ZPGGCHDAXHEKKM-ZUZCIYMTSA-N 362.323 2.707 0 50 FFAA CC(C)c1ocnc1C(=O)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857671858 UKJRYXGDSUHGJG-HXUWFJFHSA-N 369.421 2.688 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)n1 1857673582 OUDWTMJVAHGPSJ-XPGWFJOJSA-N 359.445 2.600 0 50 FFAA CNC(=O)Cc1nc([C@@]2(c3cccs3)CC2(C)C)n(-c2ccccn2)n1 1857676344 FXUZMTXTDDAIIQ-IBGZPJMESA-N 367.478 2.728 0 50 FFAA CN1CC(=O)N(c2cccc(-n3ccnc3-c3cccc4ccnn34)c2)C1=O 1857731688 XHCOIVVPRWAKGA-UHFFFAOYSA-N 372.388 2.585 0 50 FFAA CC[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)[C@@H](O)C(F)(F)F 332730052 RDAJZHWQLKQDFL-SUZMYJTESA-N 351.752 2.709 0 50 FFAA Cc1ncsc1CN1CCc2nc(C(=O)N[C@@H]3C=CCCC3)cn2CC1 1875242986 KLDWAQUIDVZPCD-OAHLLOKOSA-N 371.510 2.545 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 119726171 IMSDBLKGECUDFF-YOEHRIQHSA-N 364.490 2.711 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N3CCC(Oc4ccccn4)CC3)c2n1 333426159 IVEYCGIJMPYRMT-UHFFFAOYSA-N 365.437 2.733 0 50 FFAA CCc1nc(-c2nc[nH]n2)sc1C(=O)N(C)CCOc1ccccc1C 2325776322 WENKLPDWCBIUSX-UHFFFAOYSA-N 371.466 2.950 0 50 FFAA COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 956674 UIWGKMFCPZHXMQ-KRWDZBQOSA-N 365.389 2.740 0 50 FFAA Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)no1 1135889 YHKMJKOOYUXHBO-UHFFFAOYSA-N 363.439 2.656 0 50 FFAA Cc1cc(C)cc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)c1 2882282 YZGHOZBTSKCZIV-MRXNPFEDSA-N 352.500 2.861 0 50 FFAA Cc1ccsc1CNc1ccccc1C(=O)NCCN1CCOCC1 55224772 XBQHOEWNDNWAHL-UHFFFAOYSA-N 359.495 2.731 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)c(=O)n2n1 102704567 FMAMJMFXFNPJQB-HXUWFJFHSA-N 350.422 2.525 0 50 FFAA CCCn1ncc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)c1C 55383221 RSODPLYZHVYVTD-UHFFFAOYSA-N 361.490 2.724 0 50 FFAA O=c1cc(C2CC2)nc(-c2ccc(CN3CC[C@H](n4ccnc4)C3)cc2)[nH]1 23153363 HKLVEJJRVUFQRH-SFHVURJKSA-N 361.449 2.958 0 50 FFAA O=C(O)[C@@H](c1ccc(O)cc1)N1CCCN(Cc2ccccc2F)CC1 108045399 QJOPVBHINZEBDG-LJQANCHMSA-N 358.413 2.865 0 50 FFAA Cc1cc(C)n(C[C@H](C)NC23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)n1 67896077 NQSICDHHBAELJH-NAMMAZKUSA-N 369.517 2.521 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(OC)c1Cl 25694798 KGERUBZZMUHTLA-UHFFFAOYSA-N 365.813 2.929 0 50 FFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)C(=O)c1ccccc1 67649950 FLQXUPFQIHNJJD-UHFFFAOYSA-N 374.444 2.655 0 50 FFAA CCCN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CCC1=O 20271993 IURPBTCEXWAKFV-CQSZACIVSA-N 352.862 2.887 0 50 FFAA O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2cnn(Cc3ccncc3)c2N1 65384893 DTFWMBHRYOHVTM-HNNXBMFYSA-N 362.389 2.572 0 50 FFAA O=C(c1ccc(-n2cncn2)nc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 119520875 NFPAZFBMMZHVNI-HNNXBMFYSA-N 351.385 2.506 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)Cc1[nH]nc2c1CCC2 67935313 SRUGFNMBKQEPHQ-UHFFFAOYSA-N 363.465 2.902 0 50 FFAA CCOC(=O)[C@H]1CCCCN1CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 230144606 ADBFCBSZVWARQJ-UYAOXDASSA-N 358.482 2.980 0 50 FFAA NC(=O)c1ccnc(N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)c1 67712819 XKBCNGPVDAKAPL-UHFFFAOYSA-N 361.449 2.878 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)c1cccc(-n2cnnc2)c1 67975008 ZSXXFXVCNFTUMH-UHFFFAOYSA-N 352.398 2.628 0 50 FFAA O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32100221 LVSAURLRHWUUTL-HNNXBMFYSA-N 356.474 2.570 0 50 FFAA CC(C)Cn1c(CN2CCN(C(=O)c3ccc[nH]3)CC2)nc2ccccc21 215350900 KYRWLCLEUNBVAE-UHFFFAOYSA-N 365.481 2.978 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3c3ccccc32)cn1 328846622 QNEICWGQWIEPSM-AWEZNQCLSA-N 359.451 2.658 0 50 FFAA Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)Nc2nccs2)CC1 124801907 GTNNULQAIDJPMP-CQSZACIVSA-N 374.466 2.595 0 50 FFAA Cc1ncsc1CCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 218788223 AWEUNQQCDGLYBT-CVEARBPZSA-N 364.442 2.876 0 50 FFAA O=C(NCCc1nc2cc(F)ccc2[nH]1)c1csc([C@@H]2CCCO2)n1 154397891 HNIRFGAOOKGRDU-AWEZNQCLSA-N 360.414 2.983 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1ccnn1C1CCCC1 487738065 ZNOGMHZKJKHGCI-UHFFFAOYSA-N 353.470 2.788 0 50 FFAA CCCc1cc(C(=O)N2CCN(c3nsc4ccccc34)CC2)n(C)n1 77354327 YGQLDZQIHRZSPK-UHFFFAOYSA-N 369.494 2.945 0 50 FFAA COc1ccc(C)nc1NC(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 127507517 SHCGKJAOJRFGAI-AWEZNQCLSA-N 354.410 2.605 0 50 FFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CC[C@@H]1CC[C@@H](C)O1 175234597 CTUJJJUMRCXQGK-YCPHGPKFSA-N 353.484 2.957 0 50 FFAA O=C1CCCN1CCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1 15062558 LIGMBPRUOMWUCJ-IBGZPJMESA-N 366.461 2.622 0 50 FFAA O=C(c1ccc(CO)cc1)N1CCCN(CCCc2ccccc2)CC1 72469568 DCPRQAKFIHCGJD-UHFFFAOYSA-N 352.478 2.960 0 50 FFAA O=S(=O)(Cc1c(F)cccc1F)NCC1(c2ccccn2)CCC1 375619054 WHKOWTLUZOHQLE-UHFFFAOYSA-N 352.406 2.901 0 50 FFAA COc1cc(C)sc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 71097440 HCQMEGGZFFYRMV-UHFFFAOYSA-N 350.484 2.930 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(C(=O)N2CCCC2)CC1 72481062 QRXPEOZNHCNJAC-UHFFFAOYSA-N 352.438 2.551 0 50 FFAA CS(=O)(=O)N1CCc2cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)ccc21 239302872 FSVGDZFIYMHMPZ-YOEHRIQHSA-N 362.495 2.661 0 50 FFAA COc1cccc([C@@H]2CCCCN2S(=O)(=O)N2CCC(OC)CC2)c1 72131935 VWEHQBPRJDNOJI-SFHVURJKSA-N 368.499 2.578 0 50 FFAA Cc1ccc(OCCN(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cc1 284426223 FGZIOPZOWCNCIM-IEBWSBKVSA-N 357.454 2.734 0 50 FFAA Cc1cc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)c2cnn(C)c2n1 175404746 DURDJCLUMQAAQM-UHFFFAOYSA-N 371.391 2.517 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)n(C)n1 82120158 IVUVNZKQDCDWLH-UHFFFAOYSA-N 362.424 2.859 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NC[C@@H]2CCN(c3ccccc3C)C2)c1C 223559333 VQCCQADUTWBJTD-SFHVURJKSA-N 368.481 2.654 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 82157508 JSCKROZYSGNPPL-NRFANRHFSA-N 366.465 2.763 0 50 FFAA Cn1ccc2ccc(CN3CCC[C@@]4(CCC(=O)N(CCCO)C4)C3)cc21 82135179 RFDSLEQYDOYPBU-JOCHJYFZSA-N 369.509 2.765 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCc4cnn(C)c4)C3)nc12 82127729 QWWIAJPGSJHSBK-INIZCTEOSA-N 351.454 2.944 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)NCCc1nc3c(s1)CCC3)cn2C 223769662 QNFUVXMKDBRYAW-UHFFFAOYSA-N 367.474 2.765 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]1c1n[nH]c(C)n1 426444844 BYNJWKKSNMAGND-MRXNPFEDSA-N 352.442 2.779 0 50 FFAA CCCC[C@H]1CN(c2ccccc2OC)C(=O)CN1C(=O)C1CCOCC1 82127955 PUGQFCRPQZHUPY-KRWDZBQOSA-N 374.481 2.856 0 50 FFAA O=C(NCCCc1ccccn1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 220525852 NIOKVMQMTPXXQQ-CQSZACIVSA-N 357.841 2.837 0 50 FFAA CC(=O)c1ccccc1-c1cccc(C(=O)NCCN2CCC(O)CC2)c1 426491537 MUXQIZUQQLQKAH-UHFFFAOYSA-N 366.461 2.743 0 50 FFAA Cc1cc(N2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)n2ncnc2n1 97717372 FIWJPMMKBYQZLM-CQSZACIVSA-N 354.458 2.650 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)CCc1cnn(C)c1 95388156 YXDOGKNQSSSBBQ-KRWDZBQOSA-N 353.470 2.984 0 50 FFAA CCCCN(Cc1ccccn1)C(=O)Cn1ccc([C@H]2CCCNC2)n1 426684521 PDNCHAWFDGDPDD-KRWDZBQOSA-N 355.486 2.574 0 50 FFAA COc1ncccc1-c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F 95521017 BZALSLYUCSJTSW-UHFFFAOYSA-N 369.391 2.795 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 95528009 XEYAHABWVKPLMS-SFHVURJKSA-N 355.486 2.534 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2c[nH]c3ccccc23)on1 95390849 MBEQJMODHPXOKE-BEFAXECRSA-N 353.422 2.771 0 50 FFAA O=C(CCC1CCN(C(=O)[C@@H]2CCOc3ccccc3C2)CC1)NC1CC1 95531225 MRDMUEBWZYHSSZ-GOSISDBHSA-N 370.493 2.925 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95517523 XOWCGPLMUFYKLC-KRWDZBQOSA-N 368.437 2.582 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(-c3ccccc3O)n1)C2 95374260 NDHJHVQCZABJGJ-IAGOWNOFSA-N 368.481 2.705 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@H](C)c3cn4ncsc4n3)[nH]n2)c1 91876966 WJBKFUBORXHVRU-SNVBAGLBSA-N 368.422 2.681 0 50 FFAA Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccon3)c2)c1 95371388 YUXPVNCENJXVMJ-UHFFFAOYSA-N 371.418 2.714 0 50 FFAA CC(C)N1CCC[C@]2(CCN(Cc3nnc(-c4ccccc4)o3)C2)C1=O 91973944 YQHHAGUFGHBACU-HXUWFJFHSA-N 354.454 2.960 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 97637919 SDWYZBUSIZVQOR-CYBMUJFWSA-N 354.376 2.706 0 50 FFAA O=C1COc2cc(C(=O)N3CCC[C@H](OCc4ccccc4)C3)ccc2N1 97819518 OIGKCWKMCIXPOJ-KRWDZBQOSA-N 366.417 2.839 0 50 FFAA CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 97117760 WRJYKDOKPAXMRY-QGZVFWFLSA-N 356.426 2.605 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(C(=O)c2ccccc2)CC1 91270049 VBNVZHRNLSPMJR-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N2CC(Oc3ccccc3C)C2)c1C 92098940 XWRQLXJFSYALHP-UHFFFAOYSA-N 355.438 2.691 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCN(Cc4noc(C)n4)CC3)oc2c1 91847041 TZSGCRPFBBXVEO-UHFFFAOYSA-N 354.410 2.699 0 50 FFAA O=C(CC(F)(F)F)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91270534 ZOCXSXJUFPUBJO-CQSZACIVSA-N 352.360 2.985 0 50 FFAA CC(C)n1ccnc1CNC(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91858985 ASEZJNBDUVOFRL-QGZVFWFLSA-N 360.502 2.899 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)c2nn(C)cc2Br)cs1 294724789 XELBQXJBXYPYDA-NSHDSACASA-N 355.261 2.925 0 50 FFAA Cc1nc(CCNC(=O)C2CCN(C(=O)C3CCC3)CC2)sc1Cl 91643843 YQRNEGUHTWUGBT-UHFFFAOYSA-N 369.918 2.802 0 50 FFAA Cc1ccc(C)c2c(=O)cc(CN[C@H]3CCCN(C(=O)C4CC4)C3)[nH]c12 91876934 NWVHGGOAMDGWHW-INIZCTEOSA-N 353.466 2.636 0 50 FFAA CN1CCC(n2nc(-c3ccncc3)nc2COC[C@@H]2CCCCO2)CC1 96160046 JJBHTFOZPILEQL-SFHVURJKSA-N 371.485 2.693 0 50 FFAA CN(C)c1ccncc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 183486960 BYXBDTMOSZTESP-UHFFFAOYSA-N 361.829 2.545 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)CCN2CCN(C)CC2)c2cccnc2)c1 299762375 USQGHLUUBJOTQR-JOCHJYFZSA-N 366.509 2.542 0 50 FFAA Cc1cc(F)ccc1CN1CCn2nc(CNc3ncccn3)cc2C1 299762036 UYMGQYIAOPINLP-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA C[C@H](C(=O)N1CCC(C(=O)N=c2cc[nH]cc2)CC1)c1ccc(F)cc1F 1875260588 QOPDYQBRVIUNCH-ZDUSSCGKSA-N 373.403 2.763 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2nnc(SC(F)(F)F)s2)CC1 1875369887 OFIDNZSPLQRRTC-UHFFFAOYSA-N 366.390 2.513 0 50 FFAA Cc1cc2cc(CNC(=O)NCc3ccc(N(C)C)cn3)ccc2n1C 1875336542 AYQLBWXEFSLNNK-UHFFFAOYSA-N 351.454 2.947 0 50 FFAA CCC(=O)c1ccc(-c2cccc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)c2)cc1 1565515056 GPUXTUSHOFRXDU-WOJBJXKFSA-N 367.445 2.619 0 50 FFAA CN(CCc1ccccn1)[C@H]1CCN(C/C=C/c2ccccc2)C[C@@H]1O 1565510902 RVZOILDTCIWIJN-JCYLEMFHSA-N 351.494 2.705 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N3Cc4ccccc4N(C)C[C@H]3C)cc12 408395821 WOJFKFKIJCJKNE-GFCCVEGCSA-N 372.450 2.560 0 50 FFAA O=C(NS(=O)(=O)[C@@H]1CCCOC1)c1cc2c(s1)CCCCCC2 408409340 WXZFNRYGMSNEEI-CYBMUJFWSA-N 357.497 2.646 0 50 FFAA O=C(Cn1cccn1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 110907511 BRMCYSPHKGDLBV-UHFFFAOYSA-N 353.451 2.808 0 50 FFAA C[C@@H](CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)Oc1ccc(F)cc1 170602307 RPQPKSOQMKTFEA-SWLSCSKDSA-N 352.406 2.719 0 50 FFAA Cc1cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)nc(N(C)C)n1 188708584 PAJMTYVELJTBLV-OAHLLOKOSA-N 353.470 2.829 0 50 FFAA COc1ccc(-c2ncc(C(=O)N[C@H](C)c3nnnn3C3CC3)s2)cc1 191692779 UWKPWKJOUMMBOX-SNVBAGLBSA-N 370.438 2.631 0 50 FFAA Cc1noc2ncnc(NCC3CCN(C(=O)c4ccccc4)CC3)c12 192460903 XFOWDQJISDGNOM-UHFFFAOYSA-N 351.410 2.891 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N3C[C@@H](O)[C@H](Cc4ccccn4)C3)cc2c1 1704279498 TZCYJUVFLPPZEH-DYESRHJHSA-N 361.445 2.922 0 50 FFAA Cc1cc(C(N)=O)c(NC[C@H](c2cccnc2)N2CCCCC2)nc1C 1704339954 RSIMACLZVLOIKK-GOSISDBHSA-N 353.470 2.831 0 50 FFAA OC[C@]1(O)CCOC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)C1 1704339569 MOJBFNBZIAQNOR-IBGZPJMESA-N 364.486 2.591 0 50 FFAA COCCCN1C(=O)CC[C@@H]2CN(c3nc4cc(C)ccc4o3)CC[C@@H]21 216790129 HPZXDQYVAIYWCD-WBVHZDCISA-N 357.454 2.990 0 50 FFAA COc1cc2c(cc1CN1CC(=O)N[C@@H](Cc3ccccc3)C1)CCC2 1772701264 LAANUORMQDBDOD-FQEVSTJZSA-N 350.462 2.727 0 50 FFAA CN1C[C@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC1=O 1772805551 OIWRFKOBTLCFAW-CQSZACIVSA-N 355.404 2.696 0 50 FFAA CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccccc2)O1 5727798 ZHFVGOMEUGAIJX-WRQOLXDDSA-N 350.411 2.600 0 50 FFAA CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11661839 WQACRQILFPDXEI-NRFANRHFSA-N 356.441 2.811 0 50 FFAA CCNC(=O)N1CCC[C@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 12576346 ZAWAMRPUYWIAIZ-GOSISDBHSA-N 354.397 2.882 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1C 13648271 ORHAKAAOTKMOJM-GASCZTMLSA-N 354.516 2.650 0 50 FFAA C[C@@H]1CC(=O)c2cn3nc(SCC(=O)c4ccccc4)nc3nc2C1 16650141 AINKXAAINGCIMA-NSHDSACASA-N 352.419 2.864 0 50 FFAA COc1ccccc1C=CCN1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1857533202 XKXUNTOGDQAUCM-SJORKVTESA-N 354.454 2.708 0 50 FFAA CN1CCN(C)[C@@H](Cn2ccnc2-c2cnc(-c3ccccc3)s2)C1 1857684741 BGZDXOKSOKZEGJ-MRXNPFEDSA-N 353.495 2.919 0 50 FFAA CCCCc1ncc(CN2CCO[C@@]3(CCN(c4nccs4)C3)C2)[nH]1 1857703987 YOROPEPRSVHBFX-SFHVURJKSA-N 361.515 2.690 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)no1 1857716250 DIVZAVFRXCPRIG-JTDSTZFVSA-N 355.438 2.742 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3cnc4ccccc4n3)C2)N1Cc1cscn1 216291435 OJUOAOQYELXTSF-HIFRSBDPSA-N 365.462 2.714 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@@H]4CC[C@H]3CN(C3CCOCC3)C4)cc2o1 220216042 PSSBHAHDMPAEOU-QAPCUYQASA-N 369.465 2.852 0 50 FFAA COc1ccc([C@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 119741011 LUIUJCPZAZWSBC-SFHVURJKSA-N 372.446 2.598 0 50 FFAA Cc1cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)nn1-c1ccccc1Cl 333542795 SJMBMSDGOZGZJH-DLTLXFJOSA-N 370.840 3.251 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Br)cc1 237935925 WZSWPTNEPDCJCV-STQMWFEESA-N 356.216 2.650 0 50 FFAA CCOc1cccc(CCNC(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 136927702 HIRLJUWOEMVREX-UHFFFAOYSA-N 361.486 2.528 0 50 FFAA CCn1cc(C2CCN(S(=O)(=O)c3cc(C)cc(F)c3)CC2)cn1 267098492 WDDMESWDNGMYMA-UHFFFAOYSA-N 351.447 2.919 0 50 FFAA CCN(C)C(=O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704338802 GORIWSZHIBTQDR-JOCHJYFZSA-N 364.493 2.902 0 50 FFAA Oc1nc(Cl)cc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 858363575 KZJVTJNRSZVIAL-UHFFFAOYSA-N 363.801 2.725 0 50 FFAA O=C(O)c1cc(C(=O)N(Cc2ccccc2)CC2CCOCC2)ccn1 238157638 XOCHRVHCBYFDOK-UHFFFAOYSA-N 354.406 2.849 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@@H]2c1ccccc1 100079211 DOKTZNJIEAKVSU-KSZLIROESA-N 367.836 2.876 0 50 FFAA Cc1nc2c(NC(=O)CCc3nc(-c4ccccc4F)no3)cccn2n1 2100477057 AQYZPZPRHPYMRX-UHFFFAOYSA-N 366.356 2.798 0 50 FFAA COCC[C@H](C)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 2100540591 MGDIWLXCGDZWGY-HNNXBMFYSA-N 368.481 2.949 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@H]2c1ccc(F)cc1 100165974 OCEJGXCUTKQDTA-BZSNNMDCSA-N 369.371 2.500 0 50 FFAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H](N=c3[nH]cnc4cnccc34)C[C@H]1C2 2325760548 XQPMNBFMRMYUHD-MELADBBJSA-N 355.442 2.647 0 50 FFAA CN(C)C1CCN(c2ccc(Nc3ccnc4ncnn34)cc2F)CC1 2325775280 RVOQLGHWWWFMNO-UHFFFAOYSA-N 355.421 2.537 0 50 FFAA CN1C(=O)COc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21 2325872894 QXBVOSWWQNFPCX-UHFFFAOYSA-N 370.789 2.635 0 50 FFAA O=C(Nc1cnn2cccnc12)c1ccnc(Br)c1Cl 2325895240 KAPYPUIPFGOOML-UHFFFAOYSA-N 352.579 2.793 0 50 FFAA O=C(NCC1(c2ccccc2)CCCC1)c1cc(CN2CCOCC2)on1 20166776 LGQISJPQNCPQAN-UHFFFAOYSA-N 369.465 2.749 0 50 FFAA COc1ccc(OC)c(NS(=O)(=O)c2cc(OC)ccc2OC)c1 1118248 GKOZTNKJEAJSQO-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1136391 GQBGRTHOHGQVMF-UHFFFAOYSA-N 361.419 2.699 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1 1220631 CIBOZBWDNWOVLB-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)O)cc3c2N)cc1 2496957 PSFBYINNGCJNCT-UHFFFAOYSA-N 357.391 2.685 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(C4CC4)no3)C1)CC2 2356142972 PBCFJFHVZMKLCP-HXUWFJFHSA-N 367.453 2.528 0 50 FFAA O=C(NCC1=CCCCC1)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356145868 LMKQGAWOWGXDJP-NRJQMVOHSA-N 365.477 2.935 0 50 FFAA O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3561884 VLEMAYAZXXBPNL-UHFFFAOYSA-N 371.871 2.833 0 50 FFAA Cc1ncccc1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168672 AJOVOEFKNCGEDP-ZJOUEHCJSA-N 357.498 2.651 0 50 FFAA COc1cc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)ccc1O 4519942 JPTMKNLEFQQBPP-CQSZACIVSA-N 369.348 2.871 0 50 FFAA CCOc1ccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4850682 CIIUCWQYLJARRR-SFHVURJKSA-N 373.474 2.915 0 50 FFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 6698121 LZZFTATUJJQOIF-UHFFFAOYSA-N 359.451 2.755 0 50 FFAA Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)n1 9295487 FPNYPYSOPVFATM-UHFFFAOYSA-N 360.468 2.775 0 50 FFAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)C1(C(N)=O)CC1 55226557 GCHNTUSMILJKTB-UHFFFAOYSA-N 352.434 2.798 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 10165661 VIPJWJRDNKDEOW-UHFFFAOYSA-N 356.397 2.836 0 50 FFAA COc1ccccc1CCC(=O)NC1CCN(Cc2ccncc2)CC1 117625444 XFXSGVYJUNMRSO-UHFFFAOYSA-N 353.466 2.804 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC(Cn4cccn4)CC3)[nH]n2)c1 62131010 ABBGCKVWIMTOHT-UHFFFAOYSA-N 365.437 2.834 0 50 FFAA O=C(NCCCc1ccccn1)c1ccc(NCC2CCOCC2)nc1 67934189 JCIQQKSAEKLXBF-UHFFFAOYSA-N 354.454 2.678 0 50 FFAA Cc1cc(C(=O)N2CCc3onc(-c4ccccc4)c3C2)c(=O)n(C)c1C 67983118 DGOVSIRCXQTWDR-UHFFFAOYSA-N 363.417 2.856 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@H]1c1cccc(F)c1F 119769929 GUUXKCXOTMLKEK-RYUDHWBXSA-N 364.421 2.642 0 50 FFAA Cc1nc(C2(NC[C@@H](O)Cc3ccccc3C(F)(F)F)CCC2)no1 120293230 QDXSMMAIPYFMKZ-ZDUSSCGKSA-N 355.360 2.969 0 50 FFAA Cc1cccn2c(CC(=O)N3CCCN(Cc4cccs4)CC3)cnc12 1506402430 OUSZKVDMMSYDHJ-UHFFFAOYSA-N 368.506 2.981 0 50 FFAA Cc1cccc(O[C@H](C(=O)N2CCC3(CC2)CN(C)CCN3C)C(C)C)c1 67712808 NPTNEANRKJQLRS-FQEVSTJZSA-N 373.541 2.637 0 50 FFAA CN(Cc1ccnn1C)C(=S)Nc1cnn(Cc2ccccc2F)c1 2802926 NCHRETURPQIPCM-UHFFFAOYSA-N 358.446 2.633 0 50 FFAA Fc1ccccc1Cn1cc(NC(=S)NCCCn2ccnc2)cn1 2802465 NHGRXJZUCRPMAS-UHFFFAOYSA-N 358.446 2.644 0 50 FFAA COCCc1noc(CNc2cc(-c3ccccc3)nc3ccnn23)n1 72122209 CPGCLRZHWUGCHD-UHFFFAOYSA-N 350.382 2.580 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1F 363129226 DBWSXMNRIPRLTH-ZIAGYGMSSA-N 360.433 2.903 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1 363307003 NLWNIXIBZLFDKV-HNNXBMFYSA-N 369.469 2.655 0 50 FFAA CCCN1CC[C@H]2N(C(=O)c3ccc4c(c3)CCCN4)CCC[C@]2(CO)C1 72132986 WSBGZMHNTYCIHN-IFMALSPDSA-N 371.525 2.744 0 50 FFAA O=C(COc1ccccc1)N(Cc1nccs1)[C@@H]1CC12CCNCC2 261719979 NLHADHGHESJCLJ-MRXNPFEDSA-N 357.479 2.693 0 50 FFAA Cc1cc2occ(CC(=O)NCCN3CCCC[C@@H]3CO)c2cc1Cl 216533084 IHFTYSLMDQJDTD-OAHLLOKOSA-N 364.873 2.900 0 50 FFAA CCCCOC(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77456939 VFKQDXBEDQXXSZ-UHFFFAOYSA-N 363.506 2.917 0 50 FFAA Cn1c(CN2CCOCC2)nnc1[C@@H]1CCCN(C2CCCCCC2)C1 72480047 JEGFHDPRXUNELL-QGZVFWFLSA-N 361.534 2.550 0 50 FFAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2cnn3cccnc23)cc1 262515401 LFHZCBHXXAUOLQ-INIZCTEOSA-N 366.421 2.973 0 50 FFAA O=C(COC[C@H]1CCCO1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72420054 JWQVXCXERYKQQB-OAHLLOKOSA-N 361.417 2.604 0 50 FFAA COc1ccc(CN(C(=O)[C@@H]2CC23CCOCC3)[C@H](CO)C(C)C)cc1 376611709 SEBSFHNQMOLZCI-RBUKOAKNSA-N 361.482 2.857 0 50 FFAA O=C(CCCn1cnnn1)NCc1ccc2[nH]c3c(c2c1)CCCCC3 72133784 XBAPNUGHJCNJNW-UHFFFAOYSA-N 352.442 2.520 0 50 FFAA CN(CCc1cnn(C)c1)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 215319820 AKESBUJFHCXDBN-LJQANCHMSA-N 358.461 2.787 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cnoc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72126699 KSPJLULKLQAYBF-XUVXKRRUSA-N 351.450 2.994 0 50 FFAA COCc1ccccc1S(=O)(=O)NCc1cccc(C(F)(F)F)n1 451685519 ZUMBLQTWZARWDV-UHFFFAOYSA-N 360.357 2.725 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CCN(Cc3sccc3C)C[C@H]2O)c(C)o1 72432990 HAPKEETYXWKMMT-DOTOQJQBSA-N 362.495 2.879 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)s1 219396895 OXJOCVDRCKPKHU-CVEARBPZSA-N 364.442 2.794 0 50 FFAA O=C1CCCN1CC1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 77389759 XWTRIPGNXBSUES-UHFFFAOYSA-N 352.381 2.843 0 50 FFAA CC[C@@H](C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1=O)c1ccccc1 175003231 DNNZDJZVQAYUQX-SJORKVTESA-N 354.454 2.534 0 50 FFAA Cc1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)ccc1N1CCOCC1 223311687 KJARDQNBBSMLNS-UHFFFAOYSA-N 356.470 2.782 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n1 288981981 CMHNGKRTXXXOKV-CQSZACIVSA-N 350.369 2.526 0 50 FFAA CNc1cc([C@H]2C[C@H](NC(=O)c3cc4cc(F)ccc4n3C)C2)ncn1 223934069 SBFCPHQHYIFQDV-VDISTLRHSA-N 353.401 2.825 0 50 FFAA Cc1ccnn1CCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 220682144 RFPCVZTYVUCNQL-IAYYMHMVSA-N 364.449 2.758 0 50 FFAA CC(C)c1csc(C(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)n1 223276815 REGGVAPRGZJLOM-MRXNPFEDSA-N 360.483 2.953 0 50 FFAA O=C(CN1CCCCCC1=O)N[C@H](c1cccc(F)c1)c1ccccn1 179376301 LTXXKUMATNKCRZ-HXUWFJFHSA-N 355.413 2.829 0 50 FFAA CCCc1noc([C@H](C)NC(=O)c2ccc(-c3nccnc3OC)cc2)n1 426689870 NPLLKZYENYPLKB-LBPRGKRZSA-N 367.409 2.979 0 50 FFAA O=C(NC1CCCCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95523211 VQDDROSBMZLJSY-XJKSGUPXSA-N 362.499 2.608 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)n1 95505944 INGRGAXTCLBPDF-HXUWFJFHSA-N 366.509 2.980 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)C2(C)CC2)CC1 91593140 ZFFYNVLNLBEMNE-UHFFFAOYSA-N 359.518 2.697 0 50 FFAA Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-c2ncn(C)n2)cc1 180298869 LXDOSRZMBSDNIF-OAHLLOKOSA-N 350.422 2.988 0 50 FFAA CCCn1cc(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@H]2C)c(C)n1 91737343 ONXIJCSZPXECCC-QGZVFWFLSA-N 368.481 2.783 0 50 FFAA Cc1nc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)c2cccnc2n1 95360608 WIMFSNPHXITCLF-FQEVSTJZSA-N 353.470 2.951 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)c(C)c1Br 230513748 PHNIWCFUZACFMK-GFCCVEGCSA-N 362.289 2.832 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNc1ncc(F)c(N3CCCC3)n1)C2 91617100 PMZOVAUMDIXSHG-CYBMUJFWSA-N 358.417 2.888 0 50 FFAA Cc1ccc2nc(C(=O)NC[C@@H]3CCCN(Cc4ccco4)C3)cn2c1 91745279 OKMUJKDFFOGVHY-INIZCTEOSA-N 352.438 2.878 0 50 FFAA CCc1nn(C)c(NC(=O)NCc2csc(-c3ncccn3)n2)c1C 96167013 RZISXZXGXJYTDQ-UHFFFAOYSA-N 357.443 2.526 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 95526378 BWQQBUQCJVQINK-HNNXBMFYSA-N 363.408 2.756 0 50 FFAA O=c1oc2ccccc2n1Cc1cn(C[C@H]2OCCc3ccccc32)nn1 91858921 LECOLACWHGBXRR-LJQANCHMSA-N 362.389 2.548 0 50 FFAA O=C(NCCSC1CCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95524748 VHYGQJCGVYXLNL-MRXNPFEDSA-N 361.511 2.612 0 50 FFAA COc1ccccc1CCC(=O)N1CCCN(C(=O)c2ccco2)CC1 75018007 PSYGKRKYMXJIKQ-UHFFFAOYSA-N 356.422 2.596 0 50 FFAA CC(C)c1nnsc1CN1CC(=O)N(c2ccc3cn[nH]c3c2)C[C@@H]1C 91808608 FAQNBZBQBPEPMP-LBPRGKRZSA-N 370.482 2.775 0 50 FFAA CN(C)CC(=O)Nc1ccc(C(=O)NC2(c3cc(F)cc(F)c3)CC2)cc1 299782394 SSSSMYLZRPTHQF-UHFFFAOYSA-N 373.403 2.884 0 50 FFAA COCCc1nc(-c2ccc3c(c2)c2ccccc2n3C)n(CCO)n1 670459533 CETMHOZNGKVUDM-UHFFFAOYSA-N 350.422 2.771 0 50 FFAA CN(C)CCn1nc(-c2ccccc2)nc1[C@@H]1CCc2cnn(C)c2C1 1875349503 ZPIFECZNIJZIMA-MRXNPFEDSA-N 350.470 2.513 0 50 FFAA Cc1nccn1-c1cc(C(=O)N[C@@]23CC=C[C@@H](C2)OC3)c2ccccc2n1 1875303210 BZNKESJNBWAUKB-BTYIYWSLSA-N 360.417 2.946 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 1875311909 OWGNSAAOKFOKDM-BHMZLHOFSA-N 358.482 2.565 0 50 FFAA COC(=O)[C@H]1COC2(CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)C1 1875299165 BFISGDAARXOCPL-QGZVFWFLSA-N 374.481 2.793 0 50 FFAA CC[C@H]1OC2(CCN(C(=O)NCc3ccccc3C(C)C)CC2)NC1=O 1875274114 JAMHVVZPOWGNCQ-QGZVFWFLSA-N 359.470 2.737 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)c1C 952967746 CMVSZPIIVPMJJF-CYBMUJFWSA-N 369.425 2.661 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1c1ncc[nH]1 1565525815 HUYGCLASCPVALY-PGPWEFTKSA-N 357.454 2.643 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1C(C)C 39557962 WECQEMYODZNYPS-HOTGVXAUSA-N 357.420 2.782 0 50 FFAA O=C(NCc1ccoc1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275454618 RNDJLMRZAFQNKM-INIZCTEOSA-N 356.426 2.638 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncncc1Br 275505200 JXQBJTFWRCNGQS-GXFFZTMASA-N 352.236 2.645 0 50 FFAA CCCN(C(=O)CN(C)[C@H]1CCSC1)[C@@H](C)C(=O)Nc1ccccc1 221984908 LPNUPHWNAHJCHP-RDJZCZTQSA-N 363.527 2.690 0 50 FFAA Cc1ccc(NC(C)(C)C(=O)N2CCC(c3ccnc(N)n3)CC2)cc1 1506395089 BYMKAVDYNVWTTB-UHFFFAOYSA-N 353.470 2.964 0 50 FFAA O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2ncccn2)CC1 657564 JPFYVQAOXHGIDS-QPJJXVBHSA-N 373.254 2.601 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2O)on1 1529152169 PSOBPTIHNLKHIT-BEFAXECRSA-N 372.856 2.858 0 50 FFAA Cn1cc(CN2CC[C@]3(CCCN(Cc4ccc(F)c(F)c4)C3=O)C2)cn1 12763150 QPPQLWUDAUSORN-HXUWFJFHSA-N 374.435 2.713 0 50 FFAA CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 13945925 MMRPHLLEUUYEHX-CQSZACIVSA-N 368.499 2.788 0 50 FFAA C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)NCc1ccccc1 16651186 FMWLVLYDALADNC-AWEZNQCLSA-N 353.451 2.518 0 50 FFAA Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(C2CCOCC2)C1 1857702240 FUVUTJZOJBYNCS-NRFANRHFSA-N 366.465 2.703 0 50 FFAA Cc1ocnc1C(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 216249085 KEELQBGMOMLQOI-QAPCUYQASA-N 351.450 2.687 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)s1 328640084 XDCZTYGFKYPRBH-OAHLLOKOSA-N 358.467 2.660 0 50 FFAA CCc1ccccc1NC(=O)c1cccc(N2C[C@H](C(=O)O)CC2=O)c1 9592133 ISVDLXNWWWHZCP-OAHLLOKOSA-N 352.390 2.939 0 50 FFAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3ccco3)CC2)N1 14885285 SLADDBAVIIBZRU-OAQYLSRUSA-N 367.449 2.703 0 50 FFAA Cc1c(C(=O)NC2(c3noc([C@@H]4CCOC4)n3)CCCCCC2)cnn1C 155928036 JIBRFBWNAGYCBC-CQSZACIVSA-N 373.457 2.595 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2c(F)ccc(C)c2Cl)C[C@@H]1O 1704326688 LKSXGAQTGQQBJM-SJCJKPOMSA-N 357.809 2.865 0 50 FFAA C[C@@H](Cc1coc2ccccc12)NC[C@@]1(N2CCOCC2)CCCOC1 2325750491 QOQIMRSZBZSGMV-UWJYYQICSA-N 358.482 2.835 0 50 FFAA Cc1cn2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cc(F)c2n1 2325786680 PUPBPODSRZQWQM-UHFFFAOYSA-N 352.413 2.836 0 50 FFAA CC(C)c1nn(Cc2ccccc2)cc1CN1CC[C@H]2C(=O)NC[C@H]2C1 2325849292 LAPSFJPKVUYRMU-PKOBYXMFSA-N 352.482 2.623 0 50 FFAA COc1cccc(CCc2nc(-c3cc4c(nc3O)CCOC4)no2)c1 897250468 HNRRPPTYPRFQMY-UHFFFAOYSA-N 353.378 2.704 0 50 FFAA COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br 887324 LHEUXZPVBVHRNU-UHFFFAOYSA-N 364.261 2.641 0 50 FFAA Cc1cc(C)cc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 1147726 IUIHXVNVOJJJKC-UHFFFAOYSA-N 368.405 2.986 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H]1CCN2Cc1nccs1 2356133781 CUVZIIORAMKTQN-KBPBESRZSA-N 372.450 2.753 0 50 FFAA CN1CCN(NC(=S)Nc2ccc(Br)cc2Cl)CC1 2854550 KZJZEQZZMZEFDD-UHFFFAOYSA-N 363.712 2.551 0 50 FFAA Cc1cccc(C(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1 4186458 PETCKTLXVOJJMM-SFHVURJKSA-N 361.438 2.964 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4868292 ZTISNBWNYMIGOM-CQSZACIVSA-N 362.426 2.865 0 50 FFAA CSc1nnc(NC(=O)CSc2nncn2-c2ccccc2)s1 9146118 REGQRFMBXVZWHL-UHFFFAOYSA-N 364.481 2.572 0 50 FFAA CCOc1cccc(CN(CCO)C(=O)c2ccccc2-n2cccn2)c1 55088581 CRESUIFDIGZMOG-UHFFFAOYSA-N 365.433 2.906 0 50 FFAA Cc1cc(C)cc(OCCN(C)C(=O)CC[C@H](C)N2CCN(C)CC2)c1 55182632 ZFLFBTDSENZEFT-IBGZPJMESA-N 361.530 2.557 0 50 FFAA Nc1ncc(CN2CC[C@]3(CCCN(C(=O)CCC4CCCC4)C3)C2)cn1 67559734 DBKWFSCTBOGENL-OAQYLSRUSA-N 371.529 2.844 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(NC(=O)C2CC2)cc1 249332077 PINCYBGQDFBBFF-NXHRZFHOSA-N 370.449 2.981 0 50 FFAA Cc1cccc2c(=O)n(CCC(=O)N3CCCC[C@H]3c3ncc[nH]3)cnc12 120144834 BHQHJRXCHLXQHJ-INIZCTEOSA-N 365.437 2.572 0 50 FFAA O=C(CCN1C(=O)CCc2ccccc21)Nc1cccc(-n2ccnn2)c1 120395116 JEIVDSNEWSHNHO-UHFFFAOYSA-N 361.405 2.575 0 50 FFAA Cc1cccc(CN(C(=O)Cn2cc(C)c(O)nc2=O)C2CCCCC2)c1 1506421496 GXLHMIMFNWHFKL-UHFFFAOYSA-N 369.465 2.927 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCCN(c2ncccn2)CC1 218960383 MRPHVRGGQDBYLN-UHFFFAOYSA-N 364.371 2.777 0 50 FFAA COc1ccc(CCN2C[C@@H](Nc3cnc4ccccc4n3)CC2=O)cc1 72135223 OSBMNNGBXDYWBD-INIZCTEOSA-N 362.433 2.894 0 50 FFAA CCCN1C(=O)N[C@H](CC(=O)N2CCC(CCc3ccccc3)CC2)C1=O 77421585 YBCYWUWBDRRCNC-GOSISDBHSA-N 371.481 2.578 0 50 FFAA C[C@@H]1CCCCN1CCN(C)c1nc(-c2ccncc2)nc2c1cnn2C 72121638 IMLYUWFQUSQXLS-OAHLLOKOSA-N 365.485 2.736 0 50 FFAA Cc1ccc(-c2cncc(C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)c2)cc1 363949946 OJQGUPKSSDOSMI-NHCUHLMSSA-N 365.477 2.728 0 50 FFAA OCc1ccccc1C1CCN(C[C@H](O)COCc2ccccc2)CC1 364779784 OSVOQEBTUQUZBQ-NRFANRHFSA-N 355.478 2.936 0 50 FFAA COc1cccc([C@H]2CN(CCCn3cccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72133567 BXFPTKGYIXTJQF-YPAWHYETSA-N 366.509 2.844 0 50 FFAA Cc1cc(NC(=O)N2CCCN(c3nccs3)CC2)cn2ccnc12 333714569 UGLQBGBLWYUCSZ-UHFFFAOYSA-N 356.455 2.843 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N[C@H](CCOC)C(=O)O)c1 262306744 OWKYIGSEEIFEBY-QGZVFWFLSA-N 357.406 2.972 0 50 FFAA N[C@H]1CCCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 158024425 HOPLKHZDMNQEAN-VIFPVBQESA-N 373.766 2.503 0 50 FFAA CC(=O)c1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(Cl)cc3)C2)n(C)c1 263054094 GLGKVHCLLFQYKK-JKSUJKDBSA-N 374.824 2.822 0 50 FFAA CCCN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71767655 FBERKQTWMHZLGS-LJQANCHMSA-N 358.530 2.626 0 50 FFAA COc1ccc(NS(=O)(=O)c2ccc(OC)cc2OC)c(OC)c1 17073163 USFYGINLRGMGBH-UHFFFAOYSA-N 353.396 2.522 0 50 FFAA O=C1C[C@@]2(CCN(C(=O)c3sc4cccc(F)c4c3Cl)C2)C(=O)N1 82086583 SIZMSHJSPXBICJ-MRXNPFEDSA-N 366.801 2.573 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCCCC3)cc1)C2 220641775 DPUDHWUKGCKNHS-INIZCTEOSA-N 368.481 2.973 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3CCN([C@H](C)C(F)(F)F)CC3)c2c1 177083836 RXXRXZSMEAHDMZ-GFCCVEGCSA-N 369.387 2.814 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2nc1C 225426020 BHWSJCLIPNRIHH-WBVHZDCISA-N 374.444 2.668 0 50 FFAA biogenic Cc1ccc(C(=O)N(C)Cc2ccc3nsnc3c2)cc1OCCN 426500334 VFXMBABAMBCIFA-UHFFFAOYSA-N 356.451 2.609 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)Cc1c(C)[nH]c3ccc(F)cc13)CC2 426370168 VGKPPAGRIGSAGQ-UHFFFAOYSA-N 368.412 2.589 0 50 FFAA COc1cccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c1O 82139192 STRZTAIHEJBWPM-AWEZNQCLSA-N 354.406 2.587 0 50 FFAA Cn1cc(CCC(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 91819119 KHZGTZLQDVSQTO-UHFFFAOYSA-N 372.513 2.527 0 50 FFAA O=C(O)CN1CCC(n2cnc(-c3ccccc3)c2[C@H]2CCOC2)CC1 91663154 XBXXLYLVELRALB-INIZCTEOSA-N 355.438 2.776 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 95379466 KPTRPAWHSLURED-LJQANCHMSA-N 369.513 2.576 0 50 FFAA C[C@H](Cn1ccnc1-c1cn(C2CCNCC2)nn1)N(C)c1ccccc1 91535751 NKNQKZOMUXRDBE-MRXNPFEDSA-N 365.485 2.591 0 50 FFAA CNC(=O)CCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95365806 GICHOXMTPHUVQU-IBGZPJMESA-N 355.526 2.857 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)cn1 95358038 AXUNURYKUWHXLG-UHFFFAOYSA-N 355.486 2.558 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]c1=O 92028442 CLTKRMOZNRMOSH-QGZVFWFLSA-N 366.421 2.824 0 50 FFAA O=C1CN(Cc2sc(N3CCCC3)nc2Cl)CCN1C1CCCC1 97698945 KWPWBOTUGDBAJF-UHFFFAOYSA-N 368.934 2.984 0 50 FFAA O=C([C@@H]1CCOc2ccccc2C1)N1CCOc2ccc(CO)cc2C1 95498384 BSFAZDHNPMXAEH-QGZVFWFLSA-N 353.418 2.541 0 50 FFAA CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 295708493 YHNIODVEJWPILA-OAHLLOKOSA-N 360.845 2.593 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccn(CC)c(=O)c2)C1 95527299 GDFKWJXKGLGNGF-KRWDZBQOSA-N 356.470 2.885 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)C3CCN(Cc4ccco4)CC3)C2)n1 95353448 JASHBNADGROQIK-GOSISDBHSA-N 356.470 2.779 0 50 FFAA CSc1ccccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C 92028215 JDPBYYNOGZCNEZ-UHFFFAOYSA-N 356.495 2.751 0 50 FFAA N[C@H]1C[C@@H](c2cc(NCCOCc3ccccc3)nc(N3CCCC3)n2)C1 244724397 MTBLZXQYULHWNA-HDICACEKSA-N 367.497 2.910 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)O)C1CCOCC1 299751668 RGIFUOMPMBSQQG-LLVKDONJSA-N 373.808 2.729 0 50 FFAA CSCC[C@H](CO)NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 252510399 ZJHOROWWXDFDEV-FHLIZLRMSA-N 363.523 2.932 0 50 FFAA CCCc1cc(CNS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)on1 670450780 AKFNZSHWSIHYPX-UHFFFAOYSA-N 371.418 2.825 0 50 FFAA CC(C)=CCN1CCC(N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)CC1 1875398680 BEWFSHIUGUMXQS-ATZDWAIDSA-N 366.937 2.696 0 50 FFAA O=C(OCc1ccc2c(c1)CCOC2)c1cc(-n2ccnn2)ccc1F 1875341307 OGEPIEQSKBYGQZ-UHFFFAOYSA-N 353.353 2.836 0 50 FFAA C=CC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875386371 OQCMYYICDXFOMA-RDJZCZTQSA-N 358.486 2.979 0 50 FFAA O=C(N[C@@]12CCCCC[C@@H]1N(C(=O)C1CC1)CC2)c1cnn(C2CC2)c1 1875405126 UOHRQCHFBBJEHC-FXAWDEMLSA-N 356.470 2.662 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3c(C(F)(F)F)n[nH]c3C)C2)o1 952888190 MGKGPBGWXTXEQU-ZJUUUORDSA-N 357.336 2.570 0 50 FFAA O=C1CC2(CCC2)[C@@H](C(=O)Nc2cccc([C@@H](O)CC(F)(F)F)c2)CN1 1875285873 DOHSTRSCJHVTAN-KGLIPLIRSA-N 370.371 2.917 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297567 WWKPKSXWISWXSD-IUODEOHRSA-N 366.469 2.792 0 50 FFAA C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1ccn2nncc2c1 1875295492 ZRSKVRBQHAZRSQ-ZDUSSCGKSA-N 365.393 2.519 0 50 FFAA Nc1nnc(SCC(=O)N2CCC3(CCc4ccccc43)CC2)s1 952969399 JGHDQPRXGLSULM-UHFFFAOYSA-N 360.508 2.719 0 50 FFAA CN1C(=O)CC[C@H](CN[C@@H]2CCc3cc(F)ccc32)[C@H]1c1cnn(C)c1 886094901 GWZGFJKRDXREOY-DJKXOVBDSA-N 356.445 2.746 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cccnc3C3CC3)C2)[C@H]1C(C)C 888094952 NERASLDYASMFMN-VGUOSERISA-N 357.498 2.559 0 50 FFAA COC1CCN(C2(CNc3nc(Cl)[nH]c4ncnc3-4)CCCC2)CC1 892413313 GSFUOTRDCHUYRD-UHFFFAOYSA-N 364.881 2.793 0 50 FFAA CN(Cc1noc(-c2ccccc2)n1)[C@H]1CCN(Cc2ccccc2)C1=O 191770858 IZSWIQIXCNRSIG-SFHVURJKSA-N 362.433 2.970 0 50 FFAA CCOc1ccccc1[C@H](CC)NC(=O)Cn1ncc2c(NC)ncnc21 194428264 LNQXWJDPTYQJFU-HNNXBMFYSA-N 368.441 2.534 0 50 FFAA O=C(c1cc[nH]c1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 212598797 GYUGTCSPKRDSLJ-MOPGFXCFSA-N 351.450 2.711 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cccc(OCc3ccccn3)c1)C2 1552186772 CZGWSMXEKLZSPF-UTKZUKDTSA-N 368.433 2.584 0 50 FFAA CC(C)C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1)C(=O)O 5092882 RZEPHDIOWHZEQV-STTHAQSSSA-N 370.405 2.666 0 50 FFAA CCN(CC)S(=O)(=O)c1csc(C(=O)NCCc2ccccc2)c1 5794728 KUCMDFUWTFVAIA-UHFFFAOYSA-N 366.508 2.751 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 11782407 ADYXZUSATSCJTG-OXJNMPFZSA-N 362.470 2.669 0 50 FFAA O=C(NCC1(O)CCCCC1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 11843128 KTFOPSLEBTUYIR-KRWDZBQOSA-N 350.503 2.617 0 50 FFAA CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11996687 GMHSJLFJDGZVIS-IBGZPJMESA-N 364.486 2.920 0 50 FFAA O=C1CCCCN1c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 12002214 ZIJDEJUFLFTVEH-UHFFFAOYSA-N 362.426 2.821 0 50 FFAA COCCNC(=O)Cc1c2c(n(Cc3ccccc3F)c1C)CCCC2=O 12092924 BAMDJKSYXGXWDV-UHFFFAOYSA-N 372.440 2.808 0 50 FFAA CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2c(Cl)cnn2C)cn1 12159802 JZJVKJNAEOYTGS-AWEZNQCLSA-N 371.894 2.596 0 50 FFAA O=C(NC1CCCC1)c1cn([C@@H]2CCCN(Cc3cccs3)C2)nn1 15070049 VYARNECLBCIGED-OAHLLOKOSA-N 359.499 2.849 0 50 FFAA O=C(Cc1cccc(Cl)c1)N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 15077729 RQTSVZVZMXGZGT-KRWDZBQOSA-N 360.816 2.939 0 50 FFAA O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1F 16622085 MOHPEFFXJKQZIW-UHFFFAOYSA-N 360.408 2.909 0 50 FFAA COc1cccc(NC(=O)c2nnn(-c3ccc(Cl)c(OC)c3)c2N)c1 16649462 MCEJMPPBXATJHU-UHFFFAOYSA-N 373.800 2.772 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 19553139 PXYNAYRCAJXUJO-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA COc1cc(C)c(CN2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C 19742674 UBQWQVJHILFCEW-KRWDZBQOSA-N 356.470 2.813 0 50 FFAA COc1ccc2c(C)c(C(=O)N3C[C@H](C(=O)O)C4(CCOCC4)C3)oc2c1 1857688098 UEIASGBKVIZLEF-OAHLLOKOSA-N 373.405 2.703 0 50 FFAA CNCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857699180 QJXOGGKRUDYKOF-FQEVSTJZSA-N 373.541 2.694 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)c(Br)c1 408154538 PPZFMZFOQXZSOG-CYBMUJFWSA-N 366.215 2.663 0 50 FFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)C1 247411674 PLUMKZCKALLUSJ-NEPJUHHUSA-N 354.809 2.629 0 50 FFAA Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3)CC2)n1 17012531 ZTPNKFFOYHUUHJ-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA CC[C@@H](COC)NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 151056515 INBYHXYFMZIZHK-OITRNQOZSA-N 362.514 2.735 0 50 FFAA Cc1sc2ncnc(SCC(=O)N3CC([C@H]4CCOC4)C3)c2c1C 366260154 SMFXYAQVVBEMEB-LBPRGKRZSA-N 363.508 2.895 0 50 FFAA COc1cccc(CN[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1OC 370277187 SIGJIZKHXHSAJB-SFHVURJKSA-N 354.450 2.637 0 50 FFAA Cn1cc([C@H]2CSCCN2C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cn1 927625739 DLSDGJOWCLNZEJ-LSDHHAIUSA-N 366.531 2.813 0 50 FFAA COC(=O)[C@H](NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 4625367 QGDYXHPDNYGFNS-MRXNPFEDSA-N 355.419 2.686 0 50 FFAA Cc1c(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)[nH]c2c(F)cccc12 2100555263 OGEJULLSBDTCMT-PBHICJAKSA-N 353.397 2.686 0 50 FFAA N[C@@H]1CN(Cc2nc(O)c3c4c(sc3n2)CCC4)Cc2ccccc21 2325777283 SGTMTEIVPDLLRX-CQSZACIVSA-N 352.463 2.901 0 50 FFAA Cc1nc2ccccc2cc1NC(=O)C(=O)N1CC[C@@](N)(c2ccccc2)C1 2325858916 GPDILDSCBYMNIK-QFIPXVFZSA-N 374.444 2.568 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccncc1 814796 XGRGWHCEZDXUJA-QGZVFWFLSA-N 362.393 2.609 0 50 FFAA CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(F)cc1 1068574 XUKYZILDCODQSM-UHFFFAOYSA-N 356.463 2.675 0 50 FFAA COc1cccc2cc(C(=O)Oc3ccc(NC(C)=O)cc3)c(=O)oc12 1110050 WVZMSHWTMAHDQJ-UHFFFAOYSA-N 353.330 2.979 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]23CCCN(Cc2ccccc2)C3=O)nn1C 2356138952 SWJGECJZIKCGGZ-NRFANRHFSA-N 366.465 2.526 0 50 FFAA Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1 4597040 FUSBOARLBOHMJH-UHFFFAOYSA-N 371.400 2.641 0 50 FFAA CC[C@H]1CN(C(=O)c2cnc(C)nc2C)CCC(=O)N1Cc1ccccc1 71754262 NTACNAAZHIDLRN-SFHVURJKSA-N 366.465 2.747 0 50 FFAA COCc1noc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 252830804 RPMWRISFZVBXIJ-STQMWFEESA-N 357.332 2.543 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12 607939 HMJIYCCIJYRONP-INIZCTEOSA-N 371.393 2.582 0 50 FFAA biogenic,fda CCC(CC)CN1CC2(CCN(C(=O)Cc3ccncc3)CC2)OC1=O 77376551 ZNQCOOKHSSXQJP-UHFFFAOYSA-N 359.470 2.874 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccnc(C)c3)CC1)OCCCO2 216104329 GMMVOSHFQLOCPB-UHFFFAOYSA-N 369.465 2.882 0 50 FFAA Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc3ccccc3c2)C1 365716364 ODUCMCNXNJVJPE-KRWDZBQOSA-N 362.433 2.918 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCc3cn4cccnc4n3)cc2)n1 72436104 YVGDJLUVWNQWLC-UHFFFAOYSA-N 360.421 2.521 0 50 FFAA C[C@H](NC(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1)C1CC1 72426653 QXTXIYYUPYEKAD-NSHDSACASA-N 370.840 2.882 0 50 FFAA Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(=O)n(C)n4)cc3)nc2c1 73692194 KDSHFQFUMZEFSU-UHFFFAOYSA-N 359.389 2.656 0 50 FFAA CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccnc(-n2ccnc2)c1 155423540 AQQPECBBAXEOID-UHFFFAOYSA-N 358.833 2.708 0 50 FFAA Cc1nnc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 71524267 ZUMBTKHTDHVUPN-KRWDZBQOSA-N 360.433 2.776 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(N3CCN(C(=O)N(C)C)CC3)n2n1 72468561 LLYVUBGVXAIJDQ-UHFFFAOYSA-N 364.453 2.508 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)c3ccc(CO)o3)C2)CCC1=O 77392020 YUILDHBRPJUXQD-FQEVSTJZSA-N 362.470 2.663 0 50 FFAA CN1CCN(CC2(C)CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1 371822715 NALKMTFMNYJKSA-UHFFFAOYSA-N 366.456 2.846 0 50 FFAA c1cc(CN2CCOCC2)cc(-c2noc(C34CCCN3CCC4)n2)c1 242324353 ZANCJLFIQUODDN-UHFFFAOYSA-N 354.454 2.654 0 50 FFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cnn(-c4ccccc4C)c3)[C@H]2C1 127220248 JNJFEHCGZSIUCI-NEWSRXKRSA-N 355.438 2.589 0 50 FFAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)n1 262965960 SEQHOUFVBRJJNU-NJAFHUGGSA-N 355.438 2.778 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCn2nnc3ccccc32)[C@H](C)C1 77540087 NVCJNFBWYLVXOY-QGZVFWFLSA-N 363.465 2.867 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1O 77428837 MRIVSHZGLFMQJP-OAQYLSRUSA-N 356.466 2.955 0 50 FFAA O=C(C[C@H]1COCCN1C(=O)CCCc1cccs1)NC1CC=CC1 72150930 IFYDBUDKJQXAAL-INIZCTEOSA-N 362.495 2.523 0 50 FFAA CC(C)[C@H]1CN(C(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 71681150 FTCWIQMQAIQQKI-LJQANCHMSA-N 363.477 2.810 0 50 FFAA C[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)c1cccc(Cl)c1 289151555 ZONBXJVIHHHBBS-NSHDSACASA-N 367.858 2.728 0 50 FFAA CN1CCO[C@H](CNC(=O)c2ccc(-c3ccc(O)c(Cl)c3)cc2)C1 426471303 DXYBAJATFNTNFZ-MRXNPFEDSA-N 360.841 2.773 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)cc2)C1 426519270 PAPCWSCAVDTYIR-SFHVURJKSA-N 368.481 2.808 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)NCCN2CCOCC2)c1 426477801 XQRNWCOMFQZYIN-UHFFFAOYSA-N 358.463 2.680 0 50 FFAA Cc1ncnc(N2CCN(C(=O)CCCOCc3ccccc3)CC2)c1C 223890938 KFPAYLQXIWAWGH-UHFFFAOYSA-N 368.481 2.739 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239090930 HLLJDZPCPHWCGD-STEAMIEHSA-N 365.433 2.628 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)NCCCOc3cccnc3)[nH]c12 426409560 WLMIZVVNPACBCB-UHFFFAOYSA-N 367.453 2.919 0 50 FFAA CCCc1cc(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)cs1 91468268 AAMTYIGGNAGDEI-LJQANCHMSA-N 364.511 2.802 0 50 FFAA C=Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)NCC)N(C3CCCCC3)C2)cc1 97604221 ZAFQQGKSEUTJBL-ICSRJNTNSA-N 369.509 2.971 0 50 FFAA COc1cccc(-c2cccc(CN3CC[C@@]4(O)CCNC[C@H]4C3)c2)c1 91644737 LBHBACZZWHIPMW-UNMCSNQZSA-N 352.478 2.909 0 50 FFAA CNc1nc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)ncc1F 91746400 DIPMVDUVVISTGA-OAHLLOKOSA-N 367.432 2.681 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccccc1C(F)(F)F 238087744 RXZJDGIQJSDPHZ-ZDUSSCGKSA-N 359.344 2.730 0 50 FFAA CCn1cc(CC(=O)N(CCC(=O)O)C2CCOCC2)c2ccccc21 236943935 FVZBGYOSJKVQJI-UHFFFAOYSA-N 358.438 2.686 0 50 FFAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccc(=O)[nH]c2)C1 95531388 GHTSBFCSBDFXHG-SFHVURJKSA-N 367.493 2.710 0 50 FFAA O=C(NCc1cccc(F)c1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91440092 DPQJCGHTLNKDMY-HXUWFJFHSA-N 359.445 2.760 0 50 FFAA COC[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ccnn1C 534592133 ZSXHUQUPJRVFGT-KRWDZBQOSA-N 358.417 2.746 0 50 FFAA CN(C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](CN)C2)c1 534652324 JSMYBMUXJITFPE-QGZVFWFLSA-N 367.493 2.715 0 50 FFAA Ic1ccc(I)c2c1OCO2 143640100 GGLIRQVHUAQPOD-UHFFFAOYSA-N 373.915 2.625 0 50 FFAA COC(=O)c1cc(C=O)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 71788941 BEVQLMNMQJSUMF-CQSZACIVSA-N 362.426 2.779 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc(-c2ncccn2)cc1 299778597 MYGVQWYCPFYGQD-UHFFFAOYSA-N 366.465 2.518 0 50 FFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccccc1N1CCOCC1 828182365 RDXYKNWGIMDFQN-KRWDZBQOSA-N 352.434 2.599 0 50 FFAA O=c1c2c(-c3ccccc3Cl)csc2ncn1CCCc1nn[nH]n1 584899204 VUNURPDDPSYWSB-UHFFFAOYSA-N 372.841 2.924 0 50 FFAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cccc2c1COCC2 1875399672 HAKVZUGTLLZUBL-MJXNMMHHSA-N 361.873 2.539 0 50 FFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(NC(=O)c3ccccc3)c2)cn1 1875385639 XXQPDJRFOWJBQB-DFBJGRDBSA-N 362.433 2.936 0 50 FFAA Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@H]3CN(C(=O)C4(C)CC4)C[C@@H]32)c1Cl 1875405979 UASBVHUBQVLTCZ-GARJFASQSA-N 355.269 2.573 0 50 FFAA O=C(Cc1cn2ccsc2n1)N(Cc1ccccn1)C[C@H]1CCCO1 952988745 OZVCRMUPTIJQDK-MRXNPFEDSA-N 356.451 2.541 0 50 FFAA CCc1cc(N2CCC[C@@H](Nc3cncc(OCC(C)C)n3)C2)ncn1 301587128 WEBYORFQJOJAGH-MRXNPFEDSA-N 356.474 2.945 0 50 FFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(OC(F)F)n(C)n1 186063794 BCKBOJKAJQFJCS-CYBMUJFWSA-N 364.396 2.763 0 50 FFAA Cc1ccccc1C1CC(N[C@H]2CCCN(c3nccn(C)c3=O)C2)C1 275475175 HYSNREVXTOSQPL-ADKAHSJRSA-N 352.482 2.593 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1nnc(C)n1C)CC2 276350303 HQXRNFBFKPRNDI-QGZVFWFLSA-N 373.526 2.588 0 50 FFAA CCC[C@@]1(C)C(=O)NCCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 187346474 MTHIDDBQZIPXOK-KRWDZBQOSA-N 368.359 2.645 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1ccnc(C2CC2)n1 170044843 TYEJOUFKIZLMJB-UHFFFAOYSA-N 361.348 2.749 0 50 FFAA CC(=O)Nc1ccc(Cl)c(NC(=O)[C@H]2COCCN2CC2CCC2)c1 188254766 OIIADTOBFFRSNQ-QGZVFWFLSA-N 365.861 2.738 0 50 FFAA O[C@@H]1CN(C2CSCCSC2)C[C@H]1Cc1ccnc2ccccc12 1529145867 OIPJMVHMUMKOFY-DNVCBOLYSA-N 360.548 2.919 0 50 FFAA CCCN(CCC1=CCCCC1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1cccnc1 1529153541 FKRQSPGTNBDGAS-UXHICEINSA-N 371.481 2.767 0 50 FFAA CC(=O)N[C@H]1CN(c2nc(-c3ccccc3)no2)C[C@@H]1c1ccc(C)o1 213019816 XZFNVAQTFVTNRQ-HOTGVXAUSA-N 352.394 2.747 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3n[nH]c4ccccc34)C1)CC2 1704297045 DQBIYYQKDNGLJV-OAQYLSRUSA-N 361.449 2.710 0 50 FFAA COc1cc(CN(CCN(C)C)Cc2[nH]cnc2C)cc(Cl)c1OC 1704324714 DIKKRWGHFWKKSO-UHFFFAOYSA-N 366.893 2.953 0 50 FFAA Cc1ccccc1NC(=O)c1cn(CCNC(=O)CC2CCCC2)nn1 12037403 HKXFIGJXSXTBAN-UHFFFAOYSA-N 355.442 2.535 0 50 FFAA CCc1cc(-c2nc(-c3c(C)ncc4c3CCN(C(C)=O)C4)no2)on1 19762160 HHTZYUCKCNOFSC-UHFFFAOYSA-N 353.382 2.562 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)c4ccc(Cl)cc4)nnc3c2)n1 169776257 MEPIERWBRUTUBB-UHFFFAOYSA-N 368.784 2.671 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)COCc3ccccc3)C1)CC2 1857670932 HZLIKJGXKGKCST-OAQYLSRUSA-N 367.449 2.514 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 237441447 FSLHKMSHTJQJMU-UGQGEIBHSA-N 365.227 2.698 0 50 FFAA CCn1nc(C)c(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)c1C 249691970 MCIFGNWSVDVYSZ-SJORKVTESA-N 371.437 2.549 0 50 FFAA C[C@H]1N(C(=O)c2ccc(CN3CCCC3=O)cc2)CCC12CCOCC2 374940587 AFTZALZYTFOWDT-MRXNPFEDSA-N 356.466 2.840 0 50 FFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1cncc(Br)c1 495161015 FKKLXMUICRXWDC-PMPSAXMXSA-N 355.276 2.596 0 50 FFAA C[C@H](Cn1nnc2ccccc21)C(=O)OCc1ccc2c(c1)CN(C)C2 2325790951 ZOABRWZWCLHUFT-CQSZACIVSA-N 350.422 2.756 0 50 FFAA CN1CCC2(CC1)C[C@@H](O)CN2C(=O)CCc1c(Cl)cccc1Cl 2325810722 ADDHFMMPHVCTRB-CYBMUJFWSA-N 371.308 2.984 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CCNC[C@H]1c1ccc(F)cc1 2325813059 HTKQNQNRSZIXJV-IBGZPJMESA-N 365.412 2.502 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Br)s1 1007304 GKBTVFLKVDREEJ-AWEZNQCLSA-N 352.209 2.923 0 50 FFAA O[C@H]1CCN(c2nccn3c(-c4ccccc4OC(F)(F)F)cnc23)C1 2356156193 VYYWMZDDTUDXEH-NSHDSACASA-N 364.327 2.866 0 50 FFAA CCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1 2862896 NEOLADYUKODPSO-UHFFFAOYSA-N 369.450 2.851 0 50 FFAA O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1ccc(F)c(Cl)c1 4953185 QUCXONGKSBPYDE-UHFFFAOYSA-N 353.806 2.782 0 50 FFAA O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 52537681 UXAGONRYZHDTEV-UHFFFAOYSA-N 356.397 2.949 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1nncn1C1CCCCC1 65370093 ZQJFETHSSIXKRQ-LJQANCHMSA-N 367.497 2.846 0 50 FFAA Cc1ccc2[nH]c(=O)cc(C(=O)NCCCn3nccc3C3CC3)c2c1 65526388 KNAKYJUOQFLRRI-UHFFFAOYSA-N 350.422 2.731 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCC(C(N)=O)CC3)c(C)o2)cc1C 67677546 NPRCMCNWFSRUJR-UHFFFAOYSA-N 357.454 2.973 0 50 FFAA O=C1C[C@H](c2cccc(Cn3cccn3)c2)c2c(nc3ccccn23)CN1 65469742 YAWQNCKYXBFGGO-QGZVFWFLSA-N 357.417 2.731 0 50 FFAA COc1ccc(C2(CNS(=O)(=O)N3CCCCC3)CCCC2)cc1 1506403564 CIMKXEZFWXTWGO-UHFFFAOYSA-N 352.500 2.827 0 50 FFAA Cn1nc(-c2ccccc2)cc1NC(=O)Cn1cc(-c2cccc(N)n2)cn1 63883788 DXOXJMVYYHDWPE-UHFFFAOYSA-N 373.420 2.567 0 50 FFAA Cc1cc(=O)[nH]c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1 67842269 ZAQNNNUOVZHJOH-UHFFFAOYSA-N 351.381 2.857 0 50 FFAA C[C@H](Oc1ncccc1C(=O)NCCC(=O)N1CCCCC1)C(F)(F)F 252485745 HCTRHEWLFONSDC-LBPRGKRZSA-N 373.375 2.544 0 50 FFAA Cc1cccc(CN2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)n1 67691348 YRFWTNOOHNRIMF-QGZVFWFLSA-N 363.465 2.654 0 50 FFAA CCOC(=O)[C@@H]1CCCCN1CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 230144599 ADBFCBSZVWARQJ-AZUAARDMSA-N 358.482 2.980 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(F)c3)ncn2)n1 65365083 ASKLKEHEFQDCCT-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 2761353 RRQXVHPMBIMBOF-UHFFFAOYSA-N 362.905 2.656 0 50 FFAA CCC(CC)N(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C)cc1 72120770 YOWGVLCFPLDPOX-LJQANCHMSA-N 359.514 2.723 0 50 FFAA CN(CC(=O)N(C)Cc1cc(-c2ccccc2)no1)Cc1ccccn1 72453673 WNPSGVWKFFMVDF-UHFFFAOYSA-N 350.422 2.827 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3ncccc3O)CC2)OC1=O 77471734 YTXAFXQSXSRKEB-UHFFFAOYSA-N 361.442 2.795 0 50 FFAA O=C(NCCCn1ccccc1=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 217933437 MTTKEHRGORXRPX-HXUWFJFHSA-N 371.456 2.721 0 50 FFAA CC(=O)Nc1cccc(-n2ccnc2-c2ccc(S(C)(=O)=O)cc2)c1 72165092 SJJKMIMXMAWQRK-UHFFFAOYSA-N 355.419 2.901 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCC(N(C)C)CC3)n2)cc1C(=O)O 77518419 PWPJLMWBBKSWCQ-UHFFFAOYSA-N 370.453 2.771 0 50 FFAA C[C@H](c1ccncc1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 215094081 QPQRWXRAFQFMAG-LJQANCHMSA-N 368.525 2.901 0 50 FFAA O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@](O)(C(F)(F)F)CC1 376485082 MUXSXJAYTSUOEO-MRXNPFEDSA-N 358.360 2.932 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCn3ccnc3C)CC2)OC1=O 77286040 FPFVBROMSBNLFX-HNNXBMFYSA-N 362.474 2.584 0 50 FFAA COc1cccc(C(=O)N2CCN(c3noc(-c4ccccc4)n3)CC2)c1 77407844 VWVBROOOWXGIQQ-UHFFFAOYSA-N 364.405 2.708 0 50 FFAA COc1cc(N2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ncn1 71751818 CUTKDFSHYLSXLE-AWEZNQCLSA-N 357.410 2.602 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CCN(c2nc3ccccc3s2)CC1 72422057 ZWBKCHOKPLSBEM-UHFFFAOYSA-N 355.467 2.691 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccc(-n3cccn3)cc1)C2 76131952 LGJBGOBPJLDRIV-KRWDZBQOSA-N 363.417 2.748 0 50 FFAA O=S(=O)(NCc1ccccc1)NCc1csc(Cc2ccccc2)n1 71751200 WRPKYBOPMFGIBI-UHFFFAOYSA-N 373.503 2.858 0 50 FFAA CCCC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 174969967 ZDMWLCJSQZMVSQ-VQTJNVASSA-N 371.525 2.758 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCC(OCc2ccccc2)CC1 77287993 NSYAAKPKMFAXAE-UHFFFAOYSA-N 358.482 2.987 0 50 FFAA CCn1ncc2c(C(=O)N(CCO)C3CC3)cc(-c3ccccc3)nc21 132379634 BPMRJASIWZTYBM-UHFFFAOYSA-N 350.422 2.715 0 50 FFAA Cn1cc(-c2nn(C)cc2C(=O)N2Cc3ccccc3OC(C)(C)C2)cn1 329573790 NNGXIYMEANGBIT-UHFFFAOYSA-N 365.437 2.634 0 50 FFAA CC(C)(CN[C@H]1CCCN(Cc2ccccc2F)C1)CN1CCOCC1 20385676 ZIIYOMYIZIDFMO-IBGZPJMESA-N 363.521 2.738 0 50 FFAA Cc1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2=O)cc1 82107896 GTKFOLWKRUEEAJ-UHFFFAOYSA-N 358.825 2.903 0 50 FFAA C[C@H](C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)n1cncn1 178046702 GFNSMSNXJIDQQE-PWSUYJOCSA-N 355.225 2.826 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCCO3)N2CCOCC2)o1 426360162 MTEFLDVQMHFJQL-GOSISDBHSA-N 370.449 2.716 0 50 FFAA Cc1ccc(-c2cn(C3CCN(C(=O)c4c[nH]nc4C)CC3)nn2)cc1 20776380 CSIWOTWCYNXNHB-UHFFFAOYSA-N 350.426 2.762 0 50 FFAA C[C@@H](O)c1cccc(-c2cccc(C(=O)NCCc3nncn3C)c2)c1 426386327 MLPLFUQBTZANDX-CQSZACIVSA-N 350.422 2.508 0 50 FFAA O=C(NC[C@@H]1CCCN(CCc2ccccc2)C1)NC1(CO)CCCC1 426705611 GDFWLGVMBCUUBJ-IBGZPJMESA-N 359.514 2.545 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cn1 91819176 NNMIWLZUWNJAFE-MRXNPFEDSA-N 364.453 2.563 0 50 FFAA CN(CC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1)Cc1ccccn1 95386753 UJIGNSVBTUZORO-SFHVURJKSA-N 367.449 2.618 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2csc(SC)n2)C1 95519013 MKXLPKSZOYQMCL-LBPRGKRZSA-N 366.512 2.728 0 50 FFAA CN(C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95378475 YCPYICUTXOCZSF-LJQANCHMSA-N 355.526 2.809 0 50 FFAA CC(=O)NC[C@@H]1CCC2(CCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)O1 96160762 HKOGKMKANFUQGM-KRWDZBQOSA-N 370.453 2.850 0 50 FFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239203377 SFWQJLUQLRSSCF-NXNVCVFFSA-N 357.406 2.961 0 50 FFAA Cc1nc2ccccc2n1Cc1nc(Cc2cccs2)nn1CCO 96164837 WJWOAARHTYZBSB-UHFFFAOYSA-N 353.451 2.629 0 50 FFAA Cc1ccc(-c2ccccc2CN2CCN(CCn3cncn3)CC2)o1 97660497 VDIVHKZABSDADV-UHFFFAOYSA-N 351.454 2.664 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 95402556 MUZJPBMEUHBVQR-CHWSQXEVSA-N 362.813 2.628 0 50 FFAA NC(=O)Cc1nc([C@H]2Cc3cc(Cl)ccc3N2)n(Cc2ccccc2)n1 95526007 KVMADEMVIXMXAD-MRXNPFEDSA-N 367.840 2.717 0 50 FFAA CCc1nnsc1C(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244691644 JGNWELXRRXIAND-HACGYAERSA-N 368.462 2.891 0 50 FFAA O=C(NC1CCC(C(=O)O)CC1)c1cnn(Cc2ccccc2Cl)c1 299745038 QVWZSOREZUERPG-UHFFFAOYSA-N 361.829 2.958 0 50 FFAA OC[C@H]1CCCN(CCNC2CCN(c3ccccc3Cl)CC2)C1 65508490 YWWMVPQRLGMOBR-INIZCTEOSA-N 351.922 2.603 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)CN(C)CCCN2C 299772112 YCOYCPJFKPWWAU-UHFFFAOYSA-N 365.905 2.591 0 50 FFAA O=C(c1cccs1)N1CCC2(CC1)CN([C@@H]1CCSC1)CCO2 828187388 PKOGBEFEYONIOX-CQSZACIVSA-N 352.525 2.561 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)c2nc3ccc(C)cn3c2F)c1 670451343 ZOTAEGNDNUDMCX-UHFFFAOYSA-N 354.385 2.849 0 50 FFAA CCOc1cccnc1S(=O)(=O)N1CCC[C@H](c2ncc(C)s2)C1 1875298870 QCESEZBKQDRSQY-ZDUSSCGKSA-N 367.496 2.814 0 50 FFAA C=CC(=O)NCC(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 1875371962 RXRRNOMYXYAYCK-UHFFFAOYSA-N 358.335 2.795 0 50 FFAA COC(=O)C1CCCC(NC(=O)Cc2cnc3c(C)cccn23)CCC1 1875308607 OANGOQIMYNWJPE-UHFFFAOYSA-N 357.454 2.813 0 50 FFAA O=C(Cc1csc(C(=O)O)c1)NC[C@H]1C[C@@]12CCOc1ccccc12 1875306255 YMFBSCPQCNZIJQ-YJYMSZOUSA-N 357.431 2.845 0 50 FFAA O=C(c1ccc(Nn2ccnc2)cc1)N1CCCN[C@@H](c2ccccc2)C1 1875324528 BWDVOUOAFXAKKO-HXUWFJFHSA-N 361.449 2.935 0 50 FFAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C)C[C@@H](C)C1N=c1[nH]c(Cl)ncc1Cl 1875407795 HYIDYLTUWAIGHN-DBIOUOCHSA-N 357.285 2.756 0 50 FFAA Cc1c(C(=O)O)sc2[nH]cnc(=N[C@H]3C[C@H](CO)c4ccccc43)c12 952876055 ZTNFTAHQYOQDIS-MFKMUULPSA-N 355.419 2.753 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@H]1C(F)(F)F 886044842 AVVZZWIYPWCOHS-ZFWWWQNUSA-N 358.360 2.514 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CCO[C@@H](c2cccc(F)c2)C1 888076387 DCFNUJQNHUFUPY-QGZVFWFLSA-N 359.401 2.657 0 50 FFAA Cc1ccc(NC(=O)CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)cc1 1565509699 YSCAGXACQFGELQ-MSOLQXFVSA-N 368.433 2.513 0 50 FFAA CN(c1ccccc1)c1ccc(C(=O)N2CCC[C@]23CCOC3=O)cn1 170601337 ZLOPFEOIUBSPDS-HXUWFJFHSA-N 351.406 2.771 0 50 FFAA O=C(NCCN1CCC(O)CC1)Nc1ccc(/C=C/c2ccccn2)cc1 96131513 ASRSJTKGFJRVIB-QPJJXVBHSA-N 366.465 2.830 0 50 FFAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(F)ccc2Br)C1(C)C 188856011 WMJYRUJRHSIRBT-BBRMVZONSA-N 374.250 2.884 0 50 FFAA O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)c2ccccc21 189260672 UGEVHGDSKMYASC-UHFFFAOYSA-N 356.325 2.882 0 50 FFAA C[C@@H](CNC(=O)C1(C)CCN(Cc2ccccc2)CC1)N1CCCCC1=O 194254327 ZIGCBJIMCCFOMX-SFHVURJKSA-N 371.525 2.806 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529153789 VHHGUGYVLJEUQU-MJGOQNOKSA-N 364.449 2.504 0 50 FFAA CN(CC(=O)N1CCCN(CC2CCCCC2)CC1)Cc1ccncc1 1772703702 IRUURLHFYKYBAL-UHFFFAOYSA-N 358.530 2.628 0 50 FFAA Cc1nn(CCC(=O)N2CCC(Cc3ccc(O)nc3)CC2)c(C)c1C 1772814649 LNANSGKPCROBBU-UHFFFAOYSA-N 356.470 2.780 0 50 FFAA CC1(C)CNC(=O)C2(CCN(C(=O)c3cc4ccccc4s3)CC2)NC1 1772812393 HRMMGGGUHLBEFV-UHFFFAOYSA-N 371.506 2.622 0 50 FFAA Cc1n[nH]cc1C(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11936331 BYSGGTKOIFFOIE-HXUWFJFHSA-N 370.428 2.512 0 50 FFAA COCCN(C)C(=O)C1CCN(c2nc(C)c3cc(C)ccc3n2)CC1 12055014 MNSUENUGLLRBCZ-UHFFFAOYSA-N 356.470 2.568 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCN(c2ccccc2F)CC1 13745779 JBHIITWPYOIYFK-UHFFFAOYSA-N 350.340 2.832 0 50 FFAA O=C(c1cccs1)N1CCC[C@H]2CN(c3cc(Cl)c(O)nn3)C[C@H]21 1857530179 ZDCWVOILIHCZMD-CMPLNLGQSA-N 364.858 2.638 0 50 FFAA CC(C)=CC[C@@]1(C(=O)NCc2noc(-c3ccco3)n2)C[C@@H]2CC[C@H]1N2 1857696714 NAERZSFNLJGLEJ-ZBQZNYHESA-N 356.426 2.813 0 50 FFAA CCC[C@]1(CO)CCN(Cc2nn(C)c3cccc(Cl)c23)C[C@@H]1O 1875242112 NVTAQSBGEBWMFY-FUHWJXTLSA-N 351.878 2.572 0 50 FFAA CC[C@H](NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(F)cc1F 328617398 CRKSNZLIHWJSSA-OYYNGEPBSA-N 362.424 2.959 0 50 FFAA Cc1c(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)nnn1-c1cnn(C)c1 333997526 OXFXXUMGYPZZPU-CQSZACIVSA-N 358.490 2.986 0 50 FFAA O=S(=O)(NC[C@@H]1CCCNC1)c1c(Cl)cccc1C(F)(F)F 237797309 PGMUFNYBNCBYBD-SECBINFHSA-N 356.797 2.637 0 50 FFAA COc1cccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 128675145 HUAIDBAZFXNXIF-OAHLLOKOSA-N 365.838 2.949 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n[nH]1 162058056 QNDKIQDQSQDPGZ-RHSMWYFYSA-N 358.461 2.817 0 50 FFAA Cc1nnc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)n1CC1CC1 910326678 RKBFHSLPDDNLDI-KXBFYZLASA-N 354.458 2.815 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 913306 PDUROYVXPFPVNV-MRXNPFEDSA-N 370.361 2.690 0 50 FFAA Cc1csc(C2(NC(=O)[C@@H]3CCCN(C(=O)NC(C)C)C3)CCC2)n1 2325731487 GQRSHISOQKTGPV-CQSZACIVSA-N 364.515 2.777 0 50 FFAA O[C@H](c1ncc[nH]1)C1CCN(c2ncnc3[nH]c4cc(F)ccc4c23)CC1 842037688 DSTAPJYECJHZJL-INIZCTEOSA-N 366.400 2.923 0 50 FFAA Cc1csc2nc(CC(=O)OCCCOc3cncc(Cl)n3)cn12 2325760312 FIFJFLWFZVVJHH-UHFFFAOYSA-N 366.830 2.702 0 50 FFAA CCCCc1ccc([C@H](NC(=O)[C@H](O)C2(O)CCOCC2)C(C)C)cc1 2325779080 FSDLLUDFTWEUPB-MOPGFXCFSA-N 363.498 2.745 0 50 FFAA Cc1cc(F)cnc1CN1CCC(c2nccc(N3CCOCC3)n2)CC1 2325788507 KSGYWCFCLLYJNH-UHFFFAOYSA-N 371.460 2.535 0 50 FFAA N[C@@H]1CN(C(=O)c2ccc(NCCn3ccnc3)cc2)Cc2ccccc21 2325857217 TUVKWKYVSJGTFG-HXUWFJFHSA-N 361.449 2.651 0 50 FFAA COc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 682265 ILNQNAAJAJZENZ-UHFFFAOYSA-N 367.405 2.754 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1OC 1160256 UFIPNZLLXQVJOX-UHFFFAOYSA-N 359.378 2.680 0 50 FFAA CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 3017601 IFHMMTRGLLMPDL-UHFFFAOYSA-N 351.362 2.706 0 50 FFAA C[C@@H](c1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1)N(C)C 2356158283 GYFASCXXRDGMDP-HNNXBMFYSA-N 365.481 2.980 0 50 FFAA Cc1ccc(SCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 6270349 XQQIZKQORBURHY-UHFFFAOYSA-N 364.492 2.889 0 50 FFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccccc3)CC2)n1 21795044 BNMHMLWVLMZQRA-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA CCCOc1cc(Cl)c(CN[C@H](C)c2n[nH]c(=O)[nH]2)cc1OCC 55054738 ZUBAEDXGIZDNJO-SNVBAGLBSA-N 354.838 2.790 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 9620327 WNTSEMFIVFVEPX-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA Cc1ccccc1C(=O)NCCC(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 248106395 LOCZLRVSYOEEJW-QRVBRYPASA-N 371.525 2.979 0 50 FFAA C[C@@H](N)C(=O)N1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 67967276 QNLMELVPTNEIPY-OAHLLOKOSA-N 360.461 2.822 0 50 FFAA O=C1NCCN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]1Cc1ccccc1 77538952 WXOSOMBBCWTXQY-GOSISDBHSA-N 361.401 2.525 0 50 FFAA CCOP(=O)(OCC)/C(=C/N1CCOCC1)NC(=O)c1ccccc1 25665667 QTROGWKYFRCFDP-JQIJEIRASA-N 368.370 2.814 0 50 FFAA Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)CC3(C)COC3)cc2c1 72429679 SZFJQFUGEUDXJJ-LJQANCHMSA-N 369.509 2.973 0 50 FFAA Cc1cc(C(=O)N2CCCc3ccccc32)ccc1N(C)S(C)(=O)=O 65364974 YMDYIZZDEHMQJS-UHFFFAOYSA-N 358.463 2.984 0 50 FFAA CN1CCN([C@@H]2CCN(C(=O)c3ccc(Oc4ccccc4)o3)C2)CC1 216285486 RFBPDUOFNZEGNW-MRXNPFEDSA-N 355.438 2.534 0 50 FFAA CCn1cc(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)cn1 12316277 VHEPOPAONRPAHX-UHFFFAOYSA-N 357.364 2.770 0 50 FFAA CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N2CCOCC2)cc1 72437082 LULKNXYGNCAACZ-IBGZPJMESA-N 359.514 2.908 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc([S@@](C)=O)cc2)n1C 328655157 YBXKVDHBZDVREH-WXTAPIANSA-N 373.522 2.849 0 50 FFAA Cc1noc(C2CC2)c1NC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 155061625 YIZHLSSATLIMFF-HNNXBMFYSA-N 354.410 2.956 0 50 FFAA CC[C@@H]1CN(c2cc(COC)ncn2)CCC(=O)N1Cc1ccccc1 71748534 WOGOQPVIHUTJKX-GOSISDBHSA-N 354.454 2.641 0 50 FFAA CS(=O)(=O)c1nnc(CN2CCC[C@@H]2/C=C/c2cccs2)s1 367001475 FSHGBDHHDUDMEZ-XUIVZRPNSA-N 355.510 2.681 0 50 FFAA Cc1ccnc2nc(C(=O)NC3CC(F)(c4cccc(Cl)c4)C3)nn12 435943057 CUVMXUHGOYOVFX-UHFFFAOYSA-N 359.792 2.843 0 50 FFAA CC1(C)Cc2cc(CN[C@@H]3CCN(C(=O)c4cccnc4)C3)ccc2O1 370511745 AXHBZBWLMYMVPK-GOSISDBHSA-N 351.450 2.799 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)cn1 331937888 PHJOYFVAOOIYEC-RUGDWHBFSA-N 374.485 2.858 0 50 FFAA Cc1c[nH]c(CN2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c(C)c1=O 77377847 ZIUUROBUCAZUOG-NRFANRHFSA-N 357.498 2.606 0 50 FFAA C[C@H]1CCCN(CCCOc2ccccc2CN2CCNC(=O)CC2)C1 215032759 MXNWTUILDMSADZ-SFHVURJKSA-N 359.514 2.509 0 50 FFAA FC(F)(F)CCc1ccnc(N2CCN(CCc3ccncc3)CC2)n1 71439485 JBUOMBLQPWLWCM-UHFFFAOYSA-N 365.403 2.731 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77379714 PUTVRKPYRGONAY-SFHVURJKSA-N 364.515 2.737 0 50 FFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cn(-c2ccccc2)nn1 72172730 JKMSZIOPYIYJHM-SFHVURJKSA-N 358.405 2.635 0 50 FFAA CN(Cc1ccco1)C(=O)CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286487457 ZEGIMLLQISSVEX-HZPDHXFCSA-N 374.441 2.700 0 50 FFAA CCc1nccn1CCNC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 222271901 XBXACFBCRHYHQP-IBGZPJMESA-N 358.461 2.928 0 50 FFAA Cc1cn[nH]c1C1CCN(C(=O)COCc2nc3ccc(F)cc3[nH]2)CC1 221358604 PMEMSGWANIAZIG-UHFFFAOYSA-N 371.416 2.656 0 50 FFAA CC(C)c1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)n(C)n1 241719773 QPLASNBNIJCNAZ-IERDGZPVSA-N 371.481 2.726 0 50 FFAA COc1cccc(C(=O)N(C)C)c1OCC(=O)N1CCC[C@@H]2CCCC[C@H]21 177558373 SHQCMIGVHCKDPI-DOTOQJQBSA-N 374.481 2.957 0 50 FFAA O=C(c1cnc2c(O)cccn2c1=O)N1CCC2(C=Cc3ccccc32)CC1 426503576 OYGHGWZNOYPHPP-UHFFFAOYSA-N 373.412 2.601 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)s1 426445581 NVKDZBRFUHEICA-NWDGAFQWSA-N 360.435 2.936 0 50 FFAA Cn1cncc1CNC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 292016370 OTPPQEHHQQQDCH-ZDUSSCGKSA-N 359.499 2.845 0 50 FFAA CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)c1nccn1C 223682112 MYAALZDRYXOSGQ-GOSISDBHSA-N 354.498 2.897 0 50 FFAA O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1snc(O)c1Cl 292396007 IVVWCYMOVCARIL-VIFPVBQESA-N 355.822 2.898 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCCN(Cc2ccccn2)CC1)N(C)C 95383458 NGCPVDZXSZRCNU-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@H](N)C2)n(-c2cc(C)c3ccccc3n2)n1 97642034 ZPEMDZOKTXADJW-HNNXBMFYSA-N 364.453 2.992 0 50 FFAA Fc1cnccc1N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91637082 BQNGSQRHVMYTIW-UHFFFAOYSA-N 367.432 2.776 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC2(CCOCC2)CC1 95506698 OOIWVVXPDNMGHN-UHFFFAOYSA-N 354.450 2.729 0 50 FFAA CCc1c(C)cc(C(=O)NC[C@H]2CCOc3ccccc3C2)c(=O)n1C 95366749 KKYVPWWZZAJBOB-HNNXBMFYSA-N 354.450 2.627 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 294460774 NXAOUXCRFHMEMA-UHFFFAOYSA-N 370.840 2.606 0 50 FFAA COc1cc(CN2CCC(F)CC2)ccc1OC[C@H](O)CN(C)C(C)C 95521993 XTXHSKMQWGWOJW-GOSISDBHSA-N 368.493 2.709 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCC(c4nc(C(C)C)no4)CC3)cc2n1 244884198 YHFIAADNCIHYHH-UHFFFAOYSA-N 368.441 2.872 0 50 FFAA CC[C@@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1nccs1 243892621 AJSIKRMQRKLOFE-OAHLLOKOSA-N 358.467 2.658 0 50 FFAA COc1ccc(OCC2CCN(C(=O)COC[C@@H]3CCCO3)CC2)cc1 252485067 GNFUSKUOCBBQKY-IBGZPJMESA-N 363.454 2.508 0 50 FFAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C[C@]12O 257350587 YPNLDFGCFUFMAG-ZEBWRTRUSA-N 362.466 2.824 0 50 FFAA O=C(NCCOc1cccc2cccnc12)N1CCC[C@@H]1Cn1cccn1 534576018 VHLZXSOXIJCRGT-QGZVFWFLSA-N 365.437 2.684 0 50 FFAA CS(=O)(=O)c1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 299781581 TZWVDDDPNHZINO-QGZVFWFLSA-N 359.447 2.666 0 50 FFAA CCCCn1nccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 299800884 SXNCTJVJSPVFSP-SFHVURJKSA-N 365.441 2.981 0 50 FFAA CNc1ncc(CN(C)C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cn1 299758125 CSEPOJRWQOFZJV-UHFFFAOYSA-N 370.457 2.568 0 50 FFAA O=C(CCn1cnc2ccccc21)N1CCC([C@@H](O)c2ccccn2)CC1 828599277 FOMORZISROFFEA-OAQYLSRUSA-N 364.449 2.794 0 50 FFAA O=C1O[C@@H]2CNC[C@@H]2N1C1CCN(CCc2ccc3ccccc3c2)CC1 863550521 YLIIJZJXIHBSKV-LEWJYISDSA-N 365.477 2.639 0 50 FFAA Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C)c3ccc(OCC(N)=O)cc3)cc12 1875260443 FUQYFQUFJCAPDT-LBPRGKRZSA-N 369.396 2.971 0 50 FFAA COc1ccc(C[C@@H](CN)CO)cc1-c1ccc(-n2cc(C)cn2)cc1 1875318039 BEIFDQDOYMWGTI-KRWDZBQOSA-N 351.450 2.966 0 50 FFAA Cc1nc([C@@H]2COC[C@@H]2NCc2ccc(-c3ccncc3)cc2F)n[nH]1 1875397817 OYSHCYXISSZFQQ-AEFFLSMTSA-N 353.401 2.586 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(OCc3cccnc3)cc2)cn1 1875381891 KGSMQUPOPHCRDC-MHECFPHRSA-N 350.422 2.657 0 50 FFAA CC[C@@H](C(=O)N(C)CCCc1c(C)n[nH]c1C)N1Cc2ccccc2C1=O 952987981 PGOOLLSZUNNGQA-IBGZPJMESA-N 368.481 2.852 0 50 FFAA C[C@@H](O)c1nc2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2[nH]1 952964245 CFOVCQYDTRIGJD-LLVKDONJSA-N 353.378 2.916 0 50 FFAA C/C=C/COc1cccc(CC(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888077701 QCNSGPBQZUNRER-GVKUHWBJSA-N 355.438 2.896 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)c1C 1565530668 GLQFXAAAFVEUSU-IRXDYDNUSA-N 374.412 2.940 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@@H]4CC[C@H](C3)C(=O)N4C)c2c1 75909942 VLWNGUVSVBLJHG-CVEARBPZSA-N 351.450 2.798 0 50 FFAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCC1(C)CN(Cc2ccccc2)C1 170601703 MRGKAQJTYZKFFI-MJGOQNOKSA-N 360.498 2.599 0 50 FFAA CCC[C@@]1(C)C(=O)NCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 187299481 DHNXMHPFUAZERH-KRWDZBQOSA-N 350.369 2.505 0 50 FFAA O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CC[C@@H]2C[C@H]2C1 408499291 LUBHYONKHCYFLD-VFPQWFPESA-N 353.406 2.990 0 50 FFAA O=C(NCC1CCN(CC(F)(F)F)CC1)N[C@H]1COc2ccccc21 188094487 RLWZGXITIKSUGD-AWEZNQCLSA-N 357.376 2.694 0 50 FFAA Cc1cc(-c2ncccc2NC(=O)NCC2CCN(CCO)CC2)cs1 189210771 JZQRQIUJNUJGLR-UHFFFAOYSA-N 374.510 2.944 0 50 FFAA CCn1cc([C@H]2CN(S(=O)(=O)c3cccc(C)c3Cl)CCO2)cn1 189221554 LCOIXHSTTPLVOL-CQSZACIVSA-N 369.874 2.627 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@]1(CO)CC(C)C 191480530 DFQQZXAHMHZQNP-SFHVURJKSA-N 360.483 2.922 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCN(Cc2cccnc2C)CC1 1529118236 HBQSSPYOQGXUOS-UHFFFAOYSA-N 357.429 2.886 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)on1 1529167391 LFDAKWGYSAEXGA-CZUORRHYSA-N 368.355 2.606 0 50 FFAA CC1(C)CC(CC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)CC(C)(C)N1 1704312280 IAUQVBPCGXJBMZ-FQEVSTJZSA-N 366.546 2.856 0 50 FFAA COc1ccc(OC)c(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)c1 940055 SXDKGCMVRCIVQC-JXMROGBWSA-N 351.406 2.952 0 50 FFAA COc1cccc(C(=O)N2CCCN(Cc3cccc(C)n3)CC2)c1F 1772703920 NYHDEZNQTZRANM-UHFFFAOYSA-N 357.429 2.886 0 50 FFAA N[C@H](Cc1ccccc1)c1nnc(NC[C@@H]2CCCN3CCCC[C@H]23)o1 1772703056 CCINURBSVLBJLM-RCCFBDPRSA-N 355.486 2.989 0 50 FFAA C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 11983103 LPHQCLKRAQNSJW-CYBMUJFWSA-N 373.888 2.577 0 50 FFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC1 12612671 KXBLBLIXXSQYQJ-QGZVFWFLSA-N 361.505 2.838 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)s1 12758392 NYTQURVWOVBTNG-CYBMUJFWSA-N 356.513 2.659 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1ccccc1)C2 14751879 OEIIFJNCNNCEFV-GOSISDBHSA-N 366.509 2.829 0 50 FFAA CN1CCCCC[C@H]1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857669956 GONJOWXXZRHLNF-IBGZPJMESA-N 352.482 2.878 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3C[C@]3(O)CCCNC3)s2)c1 1857703123 UQTPIBYVXATRGR-IBGZPJMESA-N 370.478 2.797 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2cccnc2)CC[C@@H]1O 1875241551 BLLUUIVGMMDGOO-PZJWPPBQSA-N 354.450 2.742 0 50 FFAA O=C1NC(=O)[C@](CCc2ccccc2)(C2CCN(Cc3ccco3)CC2)N1 14885287 SLADDBAVIIBZRU-NRFANRHFSA-N 367.449 2.703 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)n1 378302402 XSYYHCDIFMRYBD-HUUCEWRRSA-N 350.463 2.861 0 50 FFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cnn(C(C)C)c1 266222297 PZDYYRMCGUDYNY-IEBWSBKVSA-N 374.510 2.769 0 50 FFAA C[C@@H](NCc1ccc(C(=O)O)s1)c1ccc(OCC(=O)NC2CC2)cc1 903676666 CNCJWKAVZOZTEE-GFCCVEGCSA-N 374.462 2.955 0 50 FFAA CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[C@@H]1CC[C@H]2COCC[C@@H]2C1 2325827002 ROIYOAMMJLCVMM-BIVLZKPYSA-N 368.543 2.646 0 50 FFAA Cc1cc(Cl)cn2cc(CN=c3cc(Br)nc[nH]3)nc12 2325867130 LUMMDPDGJRGANK-UHFFFAOYSA-N 352.623 2.883 0 50 FFAA Cn1cncc1[C@@H](O)C(=O)N1CCC[C@@H]1c1ccc(Br)s1 2325868755 JMVYLWIEYABAOV-NOZJJQNGSA-N 370.272 2.641 0 50 FFAA CCN(C(=O)c1cnco1)[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325870660 JNTCJBFJZQXZTJ-MRXNPFEDSA-N 364.405 2.600 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)C1 2325888333 IPMJBQDGKXTKQT-WBVHZDCISA-N 360.429 2.922 0 50 FFAA CNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 1113370 HEVCFTQUILJGEW-UHFFFAOYSA-N 374.506 2.857 0 50 FFAA COc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O 2862798 DQNCBGXEKSPGIH-UHFFFAOYSA-N 370.405 2.509 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(C)nc3onc(C)c23)C1=O 2356166364 UZVIWJTWLDICIX-FQEVSTJZSA-N 370.453 2.847 0 50 FFAA COc1cc2[nH]c(=S)n(NC(=O)c3cccs3)c(=O)c2cc1OC 9357700 UZYRSEJWSLQAIW-UHFFFAOYSA-N 363.420 2.522 0 50 FFAA CCOc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)cc1 104478535 SRJCNUNGOCEWPU-HXUWFJFHSA-N 370.493 2.860 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)Cn2c(=O)oc3ccccc32)s1 55340702 SWBJIXYXCCOFSA-UHFFFAOYSA-N 373.478 2.555 0 50 FFAA COC[C@H](C)N(Cc1ccc(OC)c(OC)c1)c1ncnc2oc(C)nc12 63857627 VSYPBBGDGVVRDX-LBPRGKRZSA-N 372.425 2.985 0 50 FFAA COc1ccc(OCc2nc(C(=O)N3CCC[C@H](C(C)(C)O)C3)co2)cc1 67755869 QZUTZYGLTFWKPG-AWEZNQCLSA-N 374.437 2.885 0 50 FFAA CCOc1ccc([C@@H]2CC(=O)NCc3nc4ccc(C)cn4c32)cc1CO 65386931 ZUCKYJXVZQFYDF-INIZCTEOSA-N 365.433 2.686 0 50 FFAA Cn1cnc2cc(-c3nc([C@]4(c5ccc(F)cc5)CCOC4)no3)cnc21 67854957 WLYMMTGPKQOQPM-LJQANCHMSA-N 365.368 2.864 0 50 FFAA Cc1nnsc1CNc1ccc(C(=O)NCCCc2ccccn2)cn1 67967152 YXIWJYZRTJKHDX-UHFFFAOYSA-N 368.466 2.611 0 50 FFAA CCN1CCN([C@@H]2CCN(C(=O)Nc3ccc(C4CC4)c(F)c3)C2)CC1 252484881 GJWPGXAWXMOCIC-QGZVFWFLSA-N 360.477 2.947 0 50 FFAA CC(C)Oc1cccc2c1c(NC(=O)c1nnc3n1CCCC3)nn2C 77285297 BAGKBJYMSIDRCE-UHFFFAOYSA-N 354.414 2.541 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)nc(C)n1 328655802 YSGIWEALOXVKBJ-GOSISDBHSA-N 353.470 2.615 0 50 FFAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)CCc1ccc(-c2cccs2)o1 72424862 WUYVVYCYXFZFNT-KRWDZBQOSA-N 371.418 2.874 0 50 FFAA CSCC[C@@H](NC(=O)CCc1ccnn1C)c1nc2ccccc2[nH]1 185551694 FSZVJWQXUAABRI-MRXNPFEDSA-N 357.483 2.840 0 50 FFAA COC(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2C)nc1 153790118 SVUHPHDZVBYVLN-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA Cc1ncc(NC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cn1 333636828 RTSQGINZJBRIFX-ZDUSSCGKSA-N 358.364 2.998 0 50 FFAA C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1 237538998 WGVZSJSKMQQKSZ-BXUZGUMPSA-N 359.344 2.901 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3cc(COC)[nH]n3)c12 219511800 SLCGAGQQBQTYRG-UHFFFAOYSA-N 368.437 2.592 0 50 FFAA Cc1ccc([C@@H]2CCCN2C(=O)c2nnn(C3CCNCC3)c2C)s1 237983192 LQTPXSMJSODBQJ-HNNXBMFYSA-N 359.499 2.858 0 50 FFAA CN1C[C@]2(CCCN(Cc3cnc(NCc4ccccc4)nc3)C2)OC1=O 72410978 SACLWGLSIBPGLI-FQEVSTJZSA-N 367.453 2.505 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CCO1 238050837 BUMKERHYGCCKQT-AWEZNQCLSA-N 371.355 2.829 0 50 FFAA COc1cc(OC)cc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 39389211 MOGPXAFUJMVMOU-UHFFFAOYSA-N 359.455 2.856 0 50 FFAA CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2C)c1 174414687 URYSLALIRNZDJD-UHFFFAOYSA-N 350.415 2.993 0 50 FFAA O=C1NCc2c(N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)cccc21 287104931 DXHBKLAPQZEAGQ-GOSISDBHSA-N 371.387 2.811 0 50 FFAA CCCSCC(=O)N1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 82083785 XIQAAVVOHRSRQG-UHFFFAOYSA-N 365.547 2.524 0 50 FFAA COc1ccc([C@H](NC(=O)c2csc(C(C)=O)c2)C2CC(O)C2)cn1 223015722 JOWUXOZPZQPBTB-AJUCZRQESA-N 360.435 2.596 0 50 FFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)NCc1cnn(CC)c1 426423796 VVQPZTUSJVHAIX-UHFFFAOYSA-N 354.458 2.862 0 50 FFAA COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)nn(C)c3C)c2c1 82136808 YPKPOWVMEHLTGH-UHFFFAOYSA-N 354.454 2.818 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)NCCc2nc(-c3ccccn3)no2)on1 426372457 ZVYZRSJAGJSCGU-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCO4)cc2)C1 426405511 MAQMSZVQKAPZHI-LJQANCHMSA-N 364.445 2.887 0 50 FFAA CCn1nc(C)c(CNC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1C 426615186 QPRUOBOIVQVVQL-GOSISDBHSA-N 371.485 2.806 0 50 FFAA Cc1ccc(CCNC(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)o1 426541528 QKLMGQIEYPOTMK-CQSZACIVSA-N 366.845 2.831 0 50 FFAA CCc1ccc([C@@H](C)NC(=O)N2CCC(c3nnc(CO)n3C)CC2)cc1 426477984 JCNUJYFVGFDNDF-CQSZACIVSA-N 371.485 2.520 0 50 FFAA Cc1cc(C)nc(CNC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)n1 426490252 SQRTWTIIVUADCP-UHFFFAOYSA-N 352.442 2.928 0 50 FFAA C[C@@H](NC(=O)NC1CCN(C)CC1)C(O)(c1ccccc1)c1ccccc1 426470819 MPAOQEQRFAOIAY-QGZVFWFLSA-N 367.493 2.704 0 50 FFAA O=C1CCC2(CCN(c3ncccn3)CC2)CN1CCc1ccccc1 92028102 JDPODEYWRUUVLA-UHFFFAOYSA-N 350.466 2.928 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 236866111 YCKHWAZAWYDYAM-BZNIZROVSA-N 359.426 2.674 0 50 FFAA Cc1ccn2cc(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4=O)nc2c1 95376048 QLMXOHLHYXMLEX-PKOBYXMFSA-N 352.482 2.866 0 50 FFAA O=C(CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2)NC1CC1 95374489 SCXQGGCNSWDEJC-IBGZPJMESA-N 367.537 2.999 0 50 FFAA Cn1nnc(-c2ccc(NC(=O)N(CC3CCC3)C[C@H]3CCCO3)cc2)n1 96133818 SSWLXCHJUGYBAE-QGZVFWFLSA-N 370.457 2.690 0 50 FFAA Cc1cnc(C)c(N2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)n1 95387820 JGPHBOSBEQPCMT-UHFFFAOYSA-N 369.469 2.717 0 50 FFAA COCCNC(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 95526268 DPBXMUBKPKYOSQ-OAHLLOKOSA-N 365.449 2.921 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CC2 97570854 BKWXJUNIPNENON-SFHVURJKSA-N 355.438 2.877 0 50 FFAA O=C(NC1(c2cc(F)ccc2F)CC1)c1coc(CN2CCOCC2)c1 97742826 OLCWGFJQAOLNIE-UHFFFAOYSA-N 362.376 2.809 0 50 FFAA Cc1ccc([C@H](CNC(=O)Nc2ccc3cn[nH]c3c2)N2CCOCC2)o1 244633331 GBCNTGLNEWTYHH-KRWDZBQOSA-N 369.425 2.659 0 50 FFAA Cc1cccc(CNC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 182419670 MRHXTUIXYACIMR-INIZCTEOSA-N 354.458 2.755 0 50 FFAA C[C@H](c1ccncc1)N1CCC(N[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 183372164 LDKDSPKCZXFYEE-LZQZEXGQSA-N 365.543 2.552 0 50 FFAA CC(C)N1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@H]2O 252448756 HTTGYFDOLYVTKZ-MZADTFQBSA-N 355.482 2.721 0 50 FFAA biogenic Cc1c(CNC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)oc2ccccc12 252499289 RYGYDKSATPUKAN-GOSISDBHSA-N 370.449 2.775 0 50 FFAA O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)[C@H]1C[C@H]1C(=O)O 268921640 SUXJCUQIGAYGPQ-UONOGXRCSA-N 371.355 2.591 0 50 FFAA CCCNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1 63857652 NLMQWSXKXSJZPD-ZWOKBUDYSA-N 361.486 2.559 0 50 FFAA CC(C)c1cc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)on1 299762108 KYYCJETUDGSRTE-UHFFFAOYSA-N 350.440 2.620 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)CCc3c(C)nn(C)c3C)cc2)no1 299785349 YBPCMHIQKHORKY-UHFFFAOYSA-N 353.426 2.644 0 50 FFAA CC[C@H](C)Cc1nc(C2(O)CCN(C)CC2)n(Cc2ccc(F)cc2)n1 822619998 ISRMBFYXEXAKBJ-HNNXBMFYSA-N 360.477 2.967 0 50 FFAA Cc1cccc(N2CCC(NC(=O)CCn3c(C)cccc3=O)CC2)c1 670447718 GEIGTMPWUFVKPE-UHFFFAOYSA-N 353.466 2.640 0 50 FFAA CC(C)(C)C(=O)Nc1ncc(F)c(C(=O)O)c1I 66054372 QGVJWXDJUNTHLP-UHFFFAOYSA-N 366.130 2.508 0 50 FFAA in-vitro Cn1cc(C[N@]2C[C@@H]2COc2ccc(C(=O)Nc3ccccc3)cc2)cn1 1875384841 JFOYAJZJIXDODO-KBMIEXCESA-N 362.433 2.936 0 50 FFAA Cc1[nH]c2ccccc2c1[C@@H](O)CNC(=O)c1ccc(NC2CC2)nc1 1875296702 KBRHEOFRZORKNQ-KRWDZBQOSA-N 350.422 2.909 0 50 FFAA O=C([C@@H]1CCOC2(CCC2)C1)N1CCC(N=c2cc[nH]cc2Cl)CC1 1875297016 ZMFBYMGGOIFHMV-CQSZACIVSA-N 363.889 2.909 0 50 FFAA CCc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)cn(C)c1=O 1875269812 KKIGCABBYAHSMV-SNVBAGLBSA-N 353.344 2.853 0 50 FFAA O=S(=O)(Nc1nnc2n1CCCC2)c1ccc2c(c1)Cc1ccccc1-2 1875258217 ZKWGCVIAURPQCX-UHFFFAOYSA-N 366.446 2.986 0 50 FFAA COc1ccc(NC(=O)[C@@H](c2ccc(C)cc2)N(C)C)cc1C(=O)N(C)C 952962547 CHSCELGGMCAKGT-LJQANCHMSA-N 369.465 2.947 0 50 FFAA CC(=O)c1cncc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 888241032 ORUMKPPYJFUBHW-STQMWFEESA-N 354.410 2.545 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CC[C@@H]1O 1529099533 AOXVVKHNSVGIJY-PMACEKPBSA-N 355.434 2.576 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1OCc1ccccn1)c1ccc2scnc2c1 1565528542 GONDHAPMBSQVBH-IRXDYDNUSA-N 369.446 2.795 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)Nc2ccccc2N2CCCC2=O)[C@]12CCCO2 273684827 KUYFXRMIQFCRNQ-SQGPQFPESA-N 373.453 2.662 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)[nH]1 275570165 OJIDANVOBSJCOD-GOSISDBHSA-N 355.486 2.666 0 50 FFAA Cn1cccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1=O 276461810 WQXJSMNLZLIUFZ-GFCCVEGCSA-N 366.248 2.701 0 50 FFAA COCCOCCOCCCNC(=O)c1csc(-c2ccccc2)n1 170597472 BGWZHRVDYYQSSE-UHFFFAOYSA-N 364.467 2.610 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 279257333 IKRUUYJEDHSFDZ-RISCZKNCSA-N 372.400 2.518 0 50 FFAA CCN1CCN(c2ccccc2NC(=O)N2CCC[C@@H](COC)C2)CC1 172125867 BYFHILQQLKRLKJ-QGZVFWFLSA-N 360.502 2.719 0 50 FFAA CS(=O)(=O)c1ccc([C@@H](O)CN2CCc3cc(Cl)ccc3C2)cc1 192240988 USGGCEUGNJBJHU-SFHVURJKSA-N 365.882 2.835 0 50 FFAA O=c1[nH]c(CN2CCC[C@H](c3ccn[nH]3)C2)nc2sc3c(c12)CCC3 193579123 PQWQTVBMLDFIAY-NSHDSACASA-N 355.467 2.576 0 50 FFAA O=C(NCCc1c(F)cccc1F)[C@H]1CCCN1C(=O)c1ccccc1 193735661 XRZPDOZCZNVPEA-GOSISDBHSA-N 358.388 2.928 0 50 FFAA CCc1c(C(=O)NC[C@@H]2CCCC2=O)nnn1-c1ccc(OC(C)C)cc1 194126070 WFWWPZGZWJXMFW-AWEZNQCLSA-N 370.453 2.716 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)NCCc1nc2ccccc2s1 1506400358 DCODWONIUVJQDX-HNNXBMFYSA-N 356.447 2.703 0 50 FFAA Cc1c(NC(=O)COc2ccc(F)cc2F)c(N2CCCC2)nn1C 1506400896 XPHNWNVWTCVKRD-UHFFFAOYSA-N 350.369 2.624 0 50 FFAA CCN(CC)C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 1506415160 WJVFKSLOEIZJKK-ZDUSSCGKSA-N 360.907 2.844 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1c(N3CCCC3)nn(C)c1C)CO2 1529101616 ITMANENBFZRRNR-OAHLLOKOSA-N 370.453 2.527 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCC3(C=C(C)CCO3)CC1)C2 1704302253 FWOPPEHOYVHSCP-KRWDZBQOSA-N 357.450 2.974 0 50 FFAA CCCCc1ncc(CN2C[C@H]3CN(Cc4cccs4)C[C@@]3(CO)C2)[nH]1 1772702778 DXSAIAZVYAESSA-OXJNMPFZSA-N 374.554 2.740 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)c1cn(CCCc2ccccc2)nn1 11872996 QFDRQRXNNZVYRM-SFHVURJKSA-N 356.470 2.942 0 50 FFAA O=C(C(=O)N1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21)c1ccccc1 12036139 VFEOMWQDZSNUMW-SJORKVTESA-N 366.417 2.616 0 50 FFAA Cc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)c1 12075684 JHZQYKSTAKNEOI-UHFFFAOYSA-N 369.509 2.590 0 50 FFAA Cc1cccc(OCC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c1 12404210 PDLQPTQZTZEEKI-LJQANCHMSA-N 368.433 2.921 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(c4cnccn4)C3)C2=O)c1 12471653 ZVRNHTHUFXPBID-HXUWFJFHSA-N 370.428 2.643 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC[C@H](CNC(=O)c2ccco2)C1 12762347 QONMVWPVFVJTRE-CQSZACIVSA-N 361.467 2.646 0 50 FFAA COc1cccc(CN2CCC[C@](O)(CN(C)C3CCCCC3)C2=O)c1 12836456 XHJJQGSUBABWDW-NRFANRHFSA-N 360.498 2.813 0 50 FFAA Cc1ccoc1C(=O)N1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 15074739 ROMLYRYLFFFHEW-HXUWFJFHSA-N 353.422 2.638 0 50 FFAA Cc1cc(=O)c(C(=O)N2CCC([C@H]3CCN(CC(C)(C)C)C3)CC2)c[nH]1 19111886 JTVPZNBTBQCOJF-KRWDZBQOSA-N 359.514 2.904 0 50 FFAA C[C@@H](NC(=O)c1cc(-n2cnnn2)n[nH]1)c1ccc(-c2ccccc2)cc1 1857673989 WEDOMCXBOCLJBW-CYBMUJFWSA-N 359.393 2.543 0 50 FFAA O=C(NCCc1cnc[nH]1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857700006 IMOZMBYDOBRRDV-GFCCVEGCSA-N 373.844 2.780 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)n(C)n1 110982311 CDVIINVGVPJQJP-OAHLLOKOSA-N 364.852 2.915 0 50 FFAA CCO[C@H](CCNC(=O)c1cc(N2CCOCC2)ccn1)C1CCCC1 131449845 KEGMFMGXZYAUGB-LJQANCHMSA-N 361.486 2.633 0 50 FFAA Cc1nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)sc1C 470956329 CFDBURZKQHFCIH-UHFFFAOYSA-N 362.474 2.655 0 50 FFAA CCNC(=O)CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704345448 YMASDCBPCXBALL-NRFANRHFSA-N 350.466 2.560 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 801353 JKYGWAOMHTWBPQ-SFHVURJKSA-N 374.462 2.795 0 50 FFAA c1ccc2c(-c3cn(Cc4cc(C5CCNCC5)no4)nn3)cncc2c1 2325787273 PAEMCMCKNSTPPQ-UHFFFAOYSA-N 360.421 2.997 0 50 FFAA COc1cc([C@H]2CCCN2C(=O)c2cnc3n2CCOC3)cc(F)c1F 2325810724 ADKBSZQBWSNAJI-CYBMUJFWSA-N 363.364 2.677 0 50 FFAA CN1CC(COC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)C1 2325859950 QUOYWJFKWJFOIE-UHFFFAOYSA-N 355.463 2.944 0 50 FFAA O=C(Cc1nc(C(F)(F)F)cs1)N[C@H]1CCc2ccccc2NC1=O 1469664763 JVDXVLCHEOACCX-NSHDSACASA-N 369.368 2.774 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C 802947 YTTMYEXACRJSFM-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Br)c1 1216089 FCVNLVAIEWLBOL-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2c1cc(C(F)(F)F)nc(N2CCCC2)n1 2356133769 CICYIYPKQPGFNX-ITGUQSILSA-N 356.392 2.978 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)C1(CC2)CCN(C[C@@H]2CCCNC2)CC1 2356151327 DDUDRBYIDIBOQP-OAHLLOKOSA-N 358.530 2.759 0 50 FFAA Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2CCn1cc(Cl)cn1 2356154359 RYMVOSONUJQXKQ-GJZGRUSLSA-N 351.907 2.650 0 50 FFAA CCNC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 6729116 NURWXLPMWUOZJP-UHFFFAOYSA-N 358.394 2.714 0 50 FFAA COc1ccccc1[C@@H](C)N1CCN([C@@H]2COc3ccccc3[C@@H]2O)CC1 225718172 YIZZSMDIJWTOMK-PERKRYKHSA-N 368.477 2.868 0 50 FFAA O=C(NCc1ccc(CN2CCCCC2)cc1)N1CC[C@]2(CCNC2)C1 416890710 MAQWNHQJOWNJNV-NRFANRHFSA-N 356.514 2.568 0 50 FFAA CC(C)(CNC(=O)NC[C@@H]1CNCCO1)c1ccc(Cl)c(Cl)c1 417382194 JEYSMYXGFAGCIM-LBPRGKRZSA-N 360.285 2.559 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)s1 20110032 GYKLSYBJSHXQIL-HNNXBMFYSA-N 355.456 2.828 0 50 FFAA C[C@@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 27639751 HNLDBJMVKYEERT-VYIWNADRSA-N 372.502 2.670 0 50 FFAA in-vitro CCCNc1ccc(C(=O)N2CCC(n3cc([C@H](C)O)nn3)CC2)cc1 23231894 AAYKJSNAWIYTSK-AWEZNQCLSA-N 357.458 2.631 0 50 FFAA COCc1ccc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)o1 22853424 WDCVFPORFRCSKX-GOSISDBHSA-N 350.503 2.875 0 50 FFAA Clc1ccccc1/C=C/c1nn2c(CN3CCOCC3)nnc2s1 67620681 HWCFTNPANWSNNM-AATRIKPKSA-N 361.858 2.842 0 50 FFAA O=C(c1cnn2cc[nH]c12)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65431965 LLNQGUSPAGAFGE-PKOBYXMFSA-N 360.417 2.806 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 67674933 AETNTIDZQPBCQN-MRXNPFEDSA-N 350.426 2.573 0 50 FFAA O=C(c1ccc[nH]1)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 67697260 FTKWROXGADFRSD-JKSUJKDBSA-N 359.813 2.556 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1)c1cccs1 23340353 ZYTIXROYPLTAIW-BFUOFWGJSA-N 357.479 2.905 0 50 FFAA CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 252458401 FKTSDRWPQUKSPJ-WBVHZDCISA-N 364.921 2.950 0 50 FFAA CN(C)C(=O)c1cnc(NC2CCN(c3nccs3)CC2)c(Cl)c1 282013631 YBEBHUCHUITGHH-UHFFFAOYSA-N 365.890 2.974 0 50 FFAA CC[C@@H]1CC[C@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328634900 ULNNVUGJRKGFRG-JHJVBQTASA-N 359.392 2.880 0 50 FFAA O=C1CN(c2ccc3ccccc3n2)CCN1Cc1ccc2c(c1)OCO2 32550929 UKAFPRNNIAHVID-UHFFFAOYSA-N 361.401 2.812 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1 1423906 ASKYRBDNIZEPQP-UHFFFAOYSA-N 365.499 2.638 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCCn2ccnc2C)[C@H](C)C1 72479889 DHXJOAJSKODPKR-MRXNPFEDSA-N 356.470 2.718 0 50 FFAA CCOC[C@@H]1CCCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C1 331185368 IYOXGFKWWCGXFP-KLAILNCOSA-N 352.519 2.983 0 50 FFAA NC(=O)c1csc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 363213416 UMIXCXRABPUJNS-LLVKDONJSA-N 363.870 2.757 0 50 FFAA COc1ccc([C@@H]2CN(c3cc(OC)ncn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72137324 GMAQAOGMIAJVSI-IOMROCGXSA-N 366.465 2.560 0 50 FFAA CCn1cnc2c(c1=O)CCN(C(=O)c1nc(-c3ccccc3)cs1)C2 283894578 XESACNBMDCJKSO-UHFFFAOYSA-N 366.446 2.585 0 50 FFAA O=C(Nc1ncc(C2CCOCC2)s1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 333444416 XCQYIAHMIPOXIL-IHRRRGAJSA-N 351.472 2.662 0 50 FFAA COCc1nc2ncc3c(=O)n(-c4ccc(C)c(Cl)c4)ccc3n2n1 71375541 IMELYVXLDOOMIS-UHFFFAOYSA-N 355.785 2.537 0 50 FFAA COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1O 12702182 WWBPHLDXFFXJET-HNNXBMFYSA-N 360.841 2.945 0 50 FFAA CC(=O)N1CCN(c2ncccc2CNCc2ccc(Cl)cc2)CC1 12715240 WWIJZHNBOLPXKW-UHFFFAOYSA-N 358.873 2.693 0 50 FFAA O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CC(F)(F)CN1 262967516 LKNNUVRVDRSTCQ-CQSZACIVSA-N 351.328 2.626 0 50 FFAA Cn1ccc2c(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cccc21 71384737 YKPPMNNZEVFUJE-HFTRVMKXSA-N 372.494 2.843 0 50 FFAA biogenic NCc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 237955552 CHEXWCWSNXPBEJ-UHFFFAOYSA-N 365.264 2.810 0 50 FFAA Cc1cc(C[C@@H](C)Nc2nc(C3CCCC3)nc3c2CCNCC3)[nH]n1 72418094 CCQFHJCGPYRDCH-CYBMUJFWSA-N 354.502 2.897 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3ccon3)n2)cc1C(=O)O 72475493 AKJVHLVGKIYPMX-UHFFFAOYSA-N 354.366 2.865 0 50 FFAA CC(C)(C)c1cc(CNc2nccc(-c3cc(C(=O)O)ccn3)n2)[nH]n1 77522861 FKUMNDLXJHUKRV-UHFFFAOYSA-N 352.398 2.870 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(CCOc3ccccc3)CC2)C1 71479587 MZGXUJGUBXPAJO-SFHVURJKSA-N 371.525 2.520 0 50 FFAA CCOc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2cccn2C)cc1 175383795 GINVKZNIFZPZDI-IBGZPJMESA-N 369.465 2.907 0 50 FFAA C[C@H]1c2cccn2CCN1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 176685245 YYOPDJSJGMAQSC-WFASDCNBSA-N 374.391 2.658 0 50 FFAA CCCN1CCCn2nc(CNC(=O)NCc3ccc(F)cc3)cc2C1 82145740 SSRRIMABWDEZHI-UHFFFAOYSA-N 359.449 2.637 0 50 FFAA CSCCN1CCC(NC(=O)c2cccc(-c3cccc(N)n3)c2)CC1 426370440 IMGKASQZSNGNQG-UHFFFAOYSA-N 370.522 2.888 0 50 FFAA COc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)cc(OC)c1OC 426634179 LIXIOFRFCBYESQ-INIZCTEOSA-N 357.406 2.898 0 50 FFAA COc1ccc(C(C)(C)NC(=O)N2CC(N3CCCCC3)C2)cc1OC 426470760 AEAXBAHJKAJJIE-UHFFFAOYSA-N 361.486 2.819 0 50 FFAA C[C@@H](NC(=O)N1CCN(C2CCN(C)CC2)CC1)c1ccccc1Cl 426488590 ZDSJMTLCUWYGOD-OAHLLOKOSA-N 364.921 2.822 0 50 FFAA COCCn1cnnc1CN(C)Cc1c[nH]nc1-c1cc(C)ccc1C 97681706 WOJFQHUICOKQND-UHFFFAOYSA-N 354.458 2.563 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@H]3Cn3cccn3)cc2)o1 426640340 DCDDKQTXSQRFKO-INIZCTEOSA-N 352.398 2.938 0 50 FFAA CCn1nccc1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 91574950 CJFNRRFCLDFTKB-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA COC(=O)c1sccc1-c1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1 426405090 FRGURVDJYUFXGM-ZDUSSCGKSA-N 358.463 2.883 0 50 FFAA CCc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)no1 91304284 BCHNFOPYFWCEIS-QGZVFWFLSA-N 368.481 2.860 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CCCN(c3ccccn3)C1)C2 96133373 YPQBKQUUOMYPJD-INIZCTEOSA-N 365.481 2.829 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1csc2c1CCCC2 426443032 QMCYYMDVMHFJLW-AWEZNQCLSA-N 358.511 2.607 0 50 FFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2coc(CN3CCOCC3)c2)c1 97575061 VVEFOCXKLMYJJF-CQSZACIVSA-N 374.437 2.620 0 50 FFAA O=C(Nc1ccc(OCc2cccs2)cc1)N1CCOC[C@@H](CO)C1 95500975 DEKMOYBGGIDACD-CQSZACIVSA-N 362.451 2.800 0 50 FFAA CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)CCO 95523024 HHIQCSBKYOJBRA-INIZCTEOSA-N 372.431 2.801 0 50 FFAA COc1ccc(C[C@@H](C)C(=O)NCc2nnc(C3CCC3)n2C)cc1F 184254140 GNWMIPMSNLTCQH-GFCCVEGCSA-N 360.433 2.725 0 50 FFAA CSc1nn2c(=O)cc(CN3CCC[C@H]3c3nccs3)nc2s1 252497068 PYEUXCHLBXCXCR-JTQLQIEISA-N 365.509 2.667 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)N3CCC4(CCO4)CC3)CC2)cc1 534641282 ZICRYPNKOTWBGA-UHFFFAOYSA-N 371.481 2.564 0 50 FFAA Cc1nc(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)nn1C 534644811 VSULASYHCDXHOG-LJQANCHMSA-N 364.449 2.986 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cnn4ccn(C)c34)C2)cc1 299768816 KOUNDCMWBRBJFK-HNNXBMFYSA-N 368.437 2.613 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccccc1N1CCOCC1 185428166 CONATPWIEBURAC-LJQANCHMSA-N 368.481 2.851 0 50 FFAA Nc1nc(CCCNC(=O)CN2CCC(c3ccccc3)CC2)cs1 670461643 HSWYSBQHBVAMCO-UHFFFAOYSA-N 358.511 2.654 0 50 FFAA COc1ccc(S(=O)(=O)NCc2cccc(CO)c2)c2c1CCCC2 670456859 PXSNOEUYPDDQSQ-UHFFFAOYSA-N 361.463 2.545 0 50 FFAA CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 165563310 ITJPNBDIPYNEQY-LLVKDONJSA-N 350.390 2.747 0 50 FFAA NC[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(=O)O)Cc1ccccc1 1875298676 JHXFKHUXNLLCJN-IEBWSBKVSA-N 372.440 2.535 0 50 FFAA Cc1c(C)n(C2CCCCC2)c2ncn(CC(=O)N3CCCC3)c(=O)c12 1875259882 FQNAIMWCEAHKIQ-UHFFFAOYSA-N 356.470 2.942 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N[C@H](Cc1ccccc1)C(=O)O 952988622 JWULTXOVHZADCJ-QGZVFWFLSA-N 351.406 2.547 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CC[C@@H](COc2ccccc2)C1 886088907 PHUGENDIIQSFBH-OAHLLOKOSA-N 355.438 2.845 0 50 FFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2nccn2CC(F)(F)F)C3)n1 888097411 IOUFFCCFRQWXDL-WFASDCNBSA-N 355.364 2.691 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(OC)c2F)C12CCOCC2 888095053 MCETVVJHLWJBNJ-ZIAGYGMSSA-N 355.381 2.677 0 50 FFAA CSc1ccc(CC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)cc1 1565506121 WMIVJKLEVHPMJA-OALUTQOASA-N 372.490 2.837 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@H](N(C)Cc3ccccn3)CC2)c(C)n1 275541081 CVODCLMEITUMPB-GOSISDBHSA-N 353.470 2.615 0 50 FFAA Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc(N(C)C)no2)cc1Cl 170619485 ZJWXXUSHUXJPRG-CQSZACIVSA-N 363.849 2.873 0 50 FFAA Cn1cc(CNC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cn1 170609534 XZWOLVFCDHCWAS-UHFFFAOYSA-N 353.348 2.620 0 50 FFAA C[C@@H]1CN(C(=O)Nc2cn(C)nc2-c2ccccc2)CC2(CCOCC2)O1 279524074 KMOMGMICXLOPTM-OAHLLOKOSA-N 370.453 2.889 0 50 FFAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CC[C@H](CO)[C@@H](O)C1 191987415 FJSWVXYRQVEFNT-ACJLOTCBSA-N 368.458 2.779 0 50 FFAA Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1CCCCC(=O)N1 194027867 FZNKPRAYVRRAIW-IBGZPJMESA-N 351.450 2.978 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772804621 BQTZILJKDWNIFJ-CQSZACIVSA-N 367.478 2.668 0 50 FFAA CC(C)C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1)C(=O)O 5007853 ZWMRCGVPIXJDPG-MOKGIYGOSA-N 370.405 2.666 0 50 FFAA COc1cccc(CN2CCC[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)c1 12076241 SCHVTZTXEKRWKE-GOSISDBHSA-N 356.470 2.867 0 50 FFAA CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccnn2C)C1 14975300 LYPPZGBFNGQZRT-OAQYLSRUSA-N 369.465 2.838 0 50 FFAA CNC(=O)c1ccc(C)c(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1 1857691668 VPQJOVREGOTWDB-UHFFFAOYSA-N 360.421 2.867 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)on1 1857721259 GZRCAWOBHTUHPI-OALUTQOASA-N 355.438 2.661 0 50 FFAA O=C1N(Cc2cc3c(cc2Cl)OCO3)c2ccccc2[C@]12CCNC2 1875247649 ZMVCMTNORFSGMA-LJQANCHMSA-N 356.809 2.847 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@@H]1c1cccnc1 220241269 XNGQHHZTGFTLLD-MSOLQXFVSA-N 365.433 2.622 0 50 FFAA CC(C)(C)c1nc(C(=O)N2CCn3c(nnc3-c3cccnc3)C2)cs1 330293241 DPNKIIZDXKNZHT-UHFFFAOYSA-N 368.466 2.750 0 50 FFAA N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 8076151 BRRPJQYCERAMFI-HXUWFJFHSA-N 374.440 2.897 0 50 FFAA in-vitro NC(=O)c1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cn1 163708646 MWJQIQSKAQOGSQ-UHFFFAOYSA-N 361.405 2.983 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1N(C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)CC1(C)C 2325781624 OXPGCCFCBUZPAJ-WBVHZDCISA-N 372.465 2.830 0 50 FFAA O=S(=O)(N[C@@H]1C[C@H]2c3ccccc3CC[C@@H]12)c1c[nH]nc1C(F)(F)F 2325794555 HMFYZIZLFPBMCL-FRRDWIJNSA-N 371.384 2.825 0 50 FFAA Cc1nn2cccnc2c1NC(=O)c1cnc2ccc(Br)cn12 2325876282 PEQDKQTXZJYARE-UHFFFAOYSA-N 371.198 2.700 0 50 FFAA COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(C)(=O)=O)cc1 821280 DVAQISAWDMXACC-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2F)nc1C 1170260 FLEXWLOYXRDOGU-UHFFFAOYSA-N 353.400 2.504 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1127731 WBBJKNYVIKGLII-MRXNPFEDSA-N 366.527 2.927 0 50 FFAA COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)s2)n1 2420762 QKQBVTMBKWMRDJ-UHFFFAOYSA-N 361.456 2.658 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 2875281 JUCBCWJYKBCPSX-INIZCTEOSA-N 372.490 2.734 0 50 FFAA Cc1ccccc1-n1nc2c(c1NC(=O)C1CCCC1)CS(=O)(=O)C2 3008445 JBLSNMHPAYNGNH-UHFFFAOYSA-N 359.451 2.738 0 50 FFAA COc1ccccc1CC(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 2356159612 JHXOIXWPPMRHJH-NRFANRHFSA-N 351.450 2.843 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc(-c4cccnc4)nc3C)C[C@H]21 2356163960 YNEBXUWAPOPBEL-CDXJDZJCSA-N 366.465 2.860 0 50 FFAA CCc1noc(CN(CC)C(=O)C[C@H]2C(=O)Nc3cc(C)cc(C)c32)n1 102382719 MWSUMRDDPIIENB-CYBMUJFWSA-N 356.426 2.723 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 246717421 LDAOVOYEGCOGJD-YESZJQIVSA-N 351.402 2.681 0 50 FFAA CC(C)c1cc(N2CCC[C@@H](c3nnc4n3CCC4)C2)nc(N(C)C)n1 462829082 WORCBZJSDVSWNL-CQSZACIVSA-N 355.490 2.588 0 50 FFAA c1ccc(CCN2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1 23282849 OVSVMEIBIRCCJL-UHFFFAOYSA-N 350.510 2.911 0 50 FFAA Cc1cccc(N2CCN(CC(=O)NCCc3ccccc3)CC2)c1C 55060355 HMSOZSXACMTSRJ-UHFFFAOYSA-N 351.494 2.784 0 50 FFAA O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(Br)cc3)cc21 29507362 ALSZDCNQAKCPIE-UHFFFAOYSA-N 361.195 2.909 0 50 FFAA CC[C@H](C(=O)N1CCCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 67338715 UFISBKLHMRLGPY-CQSZACIVSA-N 358.891 2.815 0 50 FFAA O=C(NCc1c[nH]nc1-c1ccccc1)c1cnc(-c2cccnc2)nc1 67803279 GTHJBZPTQKHONE-UHFFFAOYSA-N 356.389 2.859 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)[C@@H]3C)c(C)o2)c(OC)c1C 67934816 LGSSTHXLVSNJFI-ZDUSSCGKSA-N 373.453 2.638 0 50 FFAA Cc1cc(C(=O)Nc2ccc(F)cc2F)ccc1N(C)S(C)(=O)=O 65361985 HKELBOOTOKZUCT-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA CNc1cc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)ccn1 65457379 KQKNEXNFOIOFGB-UHFFFAOYSA-N 357.801 2.799 0 50 FFAA Cc1cnc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)cn1 72143178 XICRYWHXKDMFNW-UHFFFAOYSA-N 359.437 2.859 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@H]2CCCCN2C)no1 67955156 PKVKHFUSXHWQAE-GOSISDBHSA-N 370.497 2.863 0 50 FFAA CCOc1ccc(-c2c[nH]c(-c3cnc(N4CCOCC4)nc3)n2)cc1 65383169 QQLIMRBOTRRCPY-UHFFFAOYSA-N 351.410 2.769 0 50 FFAA O=C(c1cccc2ncccc12)N1CCc2ncnc(NC3CC3)c2CC1 72473577 WPEDXEHDCUPFLO-UHFFFAOYSA-N 359.433 2.840 0 50 FFAA Cc1cc(CN(C)c2ccc(C(=O)NCCCc3ccccn3)cn2)n[nH]1 67981845 NKXSFZVWZQCGPS-UHFFFAOYSA-N 364.453 2.507 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N[C@H]1CCCN(c3ncccn3)C1)C2 252677976 BYOYLOKCMRZMAH-MFCZKXCZSA-N 357.502 2.959 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)c2cc(CN(C)Cc3ccccc3)on2)[nH]n1 67678837 ITZNFAIVXATENB-AWEZNQCLSA-N 367.453 2.699 0 50 FFAA CC(C)Oc1ncccc1NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 121065240 TVJFVLMWSNJLOY-GFCCVEGCSA-N 360.380 2.875 0 50 FFAA Cc1cc(C)cc(CN2CCN(Cc3ccc4nonc4c3)CC2=O)c1 72145509 BAUISDIOXSRPNC-UHFFFAOYSA-N 350.422 2.684 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)c(C)n1 39489652 KJHJAYWULBKDKI-JOCHJYFZSA-N 370.541 2.979 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)Cc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 328635427 USIZJOOZUYRPFY-GHTZIAJQSA-N 369.513 2.598 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(Cc3nc4c(s3)CCC4)CC2)no1 328655591 YNDRDHFWEUHNAU-CQSZACIVSA-N 361.515 2.810 0 50 FFAA O=C(NC[C@H](O)c1cc2ccccc2s1)N[C@H]1CCc2[nH]ncc2C1 154477716 HNIZNZOKHSURLD-ZFWWWQNUSA-N 356.451 2.515 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72436174 RVLIMGRLZPVMQS-UHFFFAOYSA-N 366.339 2.518 0 50 FFAA Cc1nnnn1CCCN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72127159 SCDRJLOUJSRDCR-SLFFLAALSA-N 355.486 2.524 0 50 FFAA COc1c[nH]c(CN2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1=O 77524909 QGPPTBGHXCSANO-OAHLLOKOSA-N 352.394 2.771 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@](O)(CN(C)C)CC2)cc1Cl 72141682 SXTZQTBEXBRVIY-QGZVFWFLSA-N 355.866 2.659 0 50 FFAA CC(C)Oc1ccc(C(=O)N2CCCn3nc(CCC(=O)O)cc3C2)cc1 72435917 AQSXHJNYUACOBT-UHFFFAOYSA-N 371.437 2.734 0 50 FFAA COCc1ncsc1C(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 375178980 FDEACYJKQUTSPC-CQSZACIVSA-N 371.462 2.855 0 50 FFAA CCc1ccc([C@H]2COCCN2C(=O)NCc2cnc3n2CCCC3)o1 375119345 OGTKIVLPSUEVCS-MRXNPFEDSA-N 358.442 2.658 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1)c1ncc(F)cc1F 219405697 DNUVKGMVZRMLDA-QEORTHHSSA-N 360.360 2.537 0 50 FFAA O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)N1[C@H]2CC[C@H]1COC2 333801028 DGEQEYQCALPNJN-IUCAKERBSA-N 368.821 3.393 0 50 FFAA Cn1c(-c2nccn2-c2ccc(Oc3nnn[nH]3)cc2)nc2ccccc21 72167907 PFRPROLFXHAPEO-UHFFFAOYSA-N 358.365 2.731 0 50 FFAA COc1ncccc1CN1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1 72407555 YDFXIRVYNKTTBP-UHFFFAOYSA-N 372.469 2.660 0 50 FFAA Cc1ncccc1OC1(C(=O)O)CCN(C(=O)c2cccc(F)c2)CC1 72430179 VAHGOPBIDAFYBI-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA COc1ccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCCNC3)cc1F 72438605 HBKWWPFSKXIYAI-CYBMUJFWSA-N 355.417 2.997 0 50 FFAA O=C(c1ccc[nH]1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 72154158 GNJQOKJWRBBOQN-INIZCTEOSA-N 356.445 2.581 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3cc(C)c(Cl)c(C)c3)C(=O)[C@H]2C1 286219534 XHHDYWJPBOWNOS-WCQYABFASA-N 350.802 2.677 0 50 FFAA O=C(NCc1csc(N2CCOCC2)n1)c1ccc(Cl)cc1F 223298176 DVLJCQZKCDRPJR-UHFFFAOYSA-N 355.822 2.702 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 238021487 UNCIWMATWHYULM-HOTGVXAUSA-N 361.344 2.848 0 50 FFAA Cc1cc2oc(=O)cc(COC(=O)[C@H](O)c3cnn(C)c3)c2cc1C(C)C 241409080 NEKWOZSTQIUGAR-LJQANCHMSA-N 370.405 2.735 0 50 FFAA Cc1cc(C)n(C[C@@H](C)N2CCC3(CC2)Nc2ccccc2NC3=O)n1 82097538 TZBKTERZEBOGHA-MRXNPFEDSA-N 353.470 2.787 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)NCc1nncn1C1CCCCC1 426685456 UYQOLRRSJKSJJM-QGZVFWFLSA-N 372.473 2.707 0 50 FFAA C[C@@]1(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)CCCCO1 82138995 RJZKDTXMBDRXBW-NRFANRHFSA-N 374.529 2.997 0 50 FFAA CCNC(=O)CCN1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 426604300 MGQDARTWRZAIMC-OAQYLSRUSA-N 363.546 2.798 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccnc4ccccc34)C2)CN1CCCO 82086637 JCRCGWVIPNPVJD-QFIPXVFZSA-N 367.493 2.822 0 50 FFAA O=C(NC[C@H](O)c1cccc(O)c1)NCC1(N2CCCCC2)CCCC1 426370456 IZINTKREZCXSEP-SFHVURJKSA-N 361.486 2.524 0 50 FFAA O=C(c1cccc(-c2ccco2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 221220583 IOSLWOCIEKMZCT-SFHVURJKSA-N 368.433 2.658 0 50 FFAA CNC(=O)c1cc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)ccc1Cl 426598871 MFZIPNDVMZJTOX-INIZCTEOSA-N 372.852 2.964 0 50 FFAA Fc1cccnc1O[C@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 292795881 QUDIOSIPPBWNLE-ZDUSSCGKSA-N 354.389 2.743 0 50 FFAA CSCCN1CCC(NC(=O)Nc2cccc(NC(C)=O)c2)CC1 97568912 FKGOTDHUMMRPAH-UHFFFAOYSA-N 350.488 2.594 0 50 FFAA CCN(C(=O)CCc1ccc(-c2cccs2)o1)[C@H]1CCS(=O)(=O)C1 91738049 NIFPOEUJWCNZLU-ZDUSSCGKSA-N 367.492 2.976 0 50 FFAA COc1ccc(CCN2CCO[C@@H](COc3ccc(O)cc3)C2)cc1OC 96028197 CBHMEVDHBZYSLK-LJQANCHMSA-N 373.449 2.732 0 50 FFAA Cc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nn1Cc1ccccc1Cl 239164931 NEQWYAKNXDUCNI-MUIFIZLQSA-N 371.824 2.560 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 91689905 UQQYKTAEYLHSLK-HZPDHXFCSA-N 352.475 2.629 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC(Cc2nc(C)no2)CC1 91435036 IRFFRYVOCHBDIC-UHFFFAOYSA-N 359.474 2.888 0 50 FFAA CCN(CC1CCOCC1)C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 96160802 JJBZWMBSFZJVJF-UHFFFAOYSA-N 371.437 2.725 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1coc2c1C(=O)CCC2 296275150 YTDJGUNKIHIYRY-KGLIPLIRSA-N 351.406 2.993 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc(Cl)c1 239009528 ATTCJZJEVDBRJI-SJUNHDGSSA-N 370.836 2.704 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CCCn3ccnc3C)C[C@H]2N(C)C)cc1 95378965 ULDXVMHWUFNZSC-VQTJNVASSA-N 370.497 2.537 0 50 FFAA C[C@H](Nc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1)C1CCCC1 96149722 XQOHAKYSIUJRJQ-ZDUSSCGKSA-N 362.474 2.666 0 50 FFAA OC[C@H]1CN(Cc2ccsc2)CCC12CCN(Cc1ncc[nH]1)CC2 97347520 NSNOKIUANUENQI-QGZVFWFLSA-N 360.527 2.568 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc2c(c1)CC(=O)N2 95505007 CZPZPSAEVNYSHB-UHFFFAOYSA-N 353.426 2.837 0 50 FFAA COc1cccc(CN2CCN(Cc3noc(C4CCCC4)n3)CC2=O)c1 244795432 RGHXFQZVQWMSOF-UHFFFAOYSA-N 370.453 2.580 0 50 FFAA COc1ccc([C@@H](NC(=O)COc2cccc(C)c2C)[C@H]2C[C@@H](O)C2)cn1 252527608 CZMRZFKZYDGSHK-LLGFUMIMSA-N 370.449 2.714 0 50 FFAA COc1ccccc1CN[C@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 263615958 GGCBXRRVOVHTJX-HXUWFJFHSA-N 362.433 2.899 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)O 185317169 NKEILEYWIPSLQD-MPGHIAIKSA-N 362.470 2.525 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3cnn4ccccc34)CC2)nn1 48284590 BUVFNODWWQGDRI-UHFFFAOYSA-N 352.442 2.701 0 50 FFAA COCCn1cncc1CNC(=O)c1ccc(CN2CCCCCC2)cc1 299789139 XGAMMLAGZQAWIF-UHFFFAOYSA-N 370.497 2.836 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(N4CCCC4=O)cc3)[C@H]2C1 299789850 AFEBOOPFPOBUTK-IRFCIJBXSA-N 358.482 2.972 0 50 FFAA CN1CCCN(C)C2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)C1 299780158 BPLSYZGWESBETP-UHFFFAOYSA-N 367.440 2.530 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)oc12 299792783 GGAMLZVFHWJJHW-BBRMVZONSA-N 366.845 2.932 0 50 FFAA CN1CCN(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)CC1=O 670473714 IFSZPNODQWUAJW-INIZCTEOSA-N 357.454 2.697 0 50 FFAA Cc1cccc(C)c1N[C@@H](C)C(=O)NCc1nc(-c2ccncc2)n[nH]1 670449756 GFNNRKMXPQVMRN-AWEZNQCLSA-N 350.426 2.600 0 50 FFAA O=C(O)c1cnn(CC(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 864108030 JDLIKSHOONQOIL-CQSZACIVSA-N 367.327 2.964 0 50 FFAA COC(=O)[C@@H](CC1CCC1)NC(=O)c1ccc(-n2nc(C)cc2C)cc1 1875262318 JAVJXCOYYFFESB-GOSISDBHSA-N 355.438 2.951 0 50 FFAA Cn1c(CCO)nnc1S[C@@H]1CCc2c(Br)cccc21 1875261371 JQTONSFYZUSRRI-GFCCVEGCSA-N 354.273 2.892 0 50 FFAA CO[C@@H]1C[C@@H](C(=O)O)CN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330372 PHODHXZQLGPCLP-GHMZBOCLSA-N 353.850 2.670 0 50 FFAA C[C@@H](NC(=O)c1cncnc1N[C@@H]1CCSC(C)(C)C1)c1cn(C)cn1 1875360705 GUPLQITZTBVNDR-CHWSQXEVSA-N 374.514 2.787 0 50 FFAA CC(=O)N1CC[C@@](CNc2cnc3ccccc3n2)(C2CCOCC2)C1 1875335989 OHDYASHVSZDDAG-FQEVSTJZSA-N 354.454 2.707 0 50 FFAA O=C1Cc2cc(CNC(=O)c3c(C(F)F)nc4ccccn34)ccc2N1 1875319564 ICJCUPPNZPMCIR-UHFFFAOYSA-N 356.332 2.697 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(c3nc(C(C)(C)C)ns3)C2)ccn1 886028018 PMALQCQSSDRGKY-HNNXBMFYSA-N 361.515 2.950 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnn(Cc2ccccc2)c1 275359301 AWMVAGCHRLCXHF-OALUTQOASA-N 351.454 2.768 0 50 FFAA CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCCCC(C)(C)C2)cc1 408440902 AWDKPHMMNIKEBN-AWEZNQCLSA-N 367.515 2.877 0 50 FFAA Cc1c(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)nnn1-c1ccccc1Cl 170067870 OBVFIEOKUPNTDT-SNVBAGLBSA-N 362.817 2.554 0 50 FFAA Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1506418961 VRWVYDKAWUFSFH-GFCCVEGCSA-N 364.405 2.727 0 50 FFAA O=C(N1C[C@H](Cc2ccncc2)[C@@H](O)C1)C1(N2CCCCC2)CCCCC1 1615733329 DJWMSFJMNLJAQN-PMACEKPBSA-N 371.525 2.632 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C(O)(c1ccccc1)c1ccccc1 5073709 AHZZQVYVDLVSKS-UHFFFAOYSA-N 361.397 2.968 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11840962 UTVBQJYFKJMOJQ-CQSZACIVSA-N 354.372 2.970 0 50 FFAA O=C1N(CC2CCC2)CCC[C@]1(O)CN1CC=C(c2ccccc2)CC1 12073969 DVLHCSIKLCGBDS-QFIPXVFZSA-N 354.494 2.929 0 50 FFAA COC[C@H](C)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 12298472 CXORXLCVHDADQY-AWEZNQCLSA-N 360.433 2.946 0 50 FFAA O=C(CN1CCCCC1)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12762703 ICZXGJNNVPSXFE-IBGZPJMESA-N 365.477 2.543 0 50 FFAA COc1ccc(C[C@]2(CCC(=O)NCCc3ccco3)CCC(=O)N2)cc1 15067304 HYJJYETYCNCTDD-NRFANRHFSA-N 370.449 2.619 0 50 FFAA CCCCc1nc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c(Cl)[nH]1 1857734513 UQDLCHADQJSTIS-XWESNNAXSA-N 366.937 2.947 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857734635 XRODDMCAEKEJSG-BUIAKZPTSA-N 364.873 2.530 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cnc2sccn2c1=O 1875250846 LWFQSVWNEVYAKH-UHFFFAOYSA-N 352.375 2.972 0 50 FFAA Cc1noc(C)c1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328619934 GMKHCPXRZBCBMI-LLVKDONJSA-N 356.348 2.841 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)CC1 126152818 KXGXZBGADIMKTM-HNAYVOBHSA-N 367.497 2.792 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCCOc1cccc(Br)c1 237487128 CVOAPDMPJADYCU-JSGCOSHPSA-N 355.276 2.946 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N(C)CC(C)(C)O)C1 132698019 KTOJILAKSUHCGC-CQSZACIVSA-N 353.894 2.887 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 262716776 SGOYRBJOEYECEX-LBPRGKRZSA-N 359.403 2.876 0 50 FFAA C[C@@H]1CC(=O)Nc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2N1 905396942 WJPHHPDEBFSMEA-GFCCVEGCSA-N 363.421 2.678 0 50 FFAA O=C(CCc1cnc[nH]1)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O 909260887 DAHSBPYDHNSENG-QGZVFWFLSA-N 351.406 2.555 0 50 FFAA CC1(C)[C@@H](NC(=O)c2cccc(-c3cnco3)c2)C[C@@H]1N1CCOCC1 828172140 SSNRZTOJMUAPFH-ROUUACIJSA-N 355.438 2.571 0 50 FFAA CCS(=O)(=O)N1CCN([C@@H](COc2ccccc2)c2ccccc2)CC1 2100543537 UKPWYTBQTMVYRW-FQEVSTJZSA-N 374.506 2.774 0 50 FFAA CCOCC(=O)N1C[C@@H](CNC(=O)C(C2CCC2)C2CCC2)C[C@@H]1C 2325793884 KOCYJUMVXBTIHY-LSDHHAIUSA-N 350.503 2.593 0 50 FFAA CCn1nnc2cc(Cn3nc(-c4cccc(OC)c4)ccc3=O)ccc21 2325854614 MNVGWMNPMXIBSK-UHFFFAOYSA-N 361.405 2.732 0 50 FFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OCC)c1 724943 QQTUYMUPKJGINQ-INIZCTEOSA-N 358.398 2.537 0 50 FFAA CCOc1ccc2nc(O)c(CN3CCC[C@]34CCCN(C)C4=O)cc2c1 2356139468 YLOFXPAAEYPLQY-NRFANRHFSA-N 369.465 2.926 0 50 FFAA CN(C)C(=O)CCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356147464 XQHLQDUUAQHJCV-UHFFFAOYSA-N 351.790 2.974 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cc(O)nc(C)n3)C2=O)cc1 2356148028 CZLRBDYVTNNSHQ-OAQYLSRUSA-N 366.465 2.961 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)CCCn3cccn3)CC1)OCC2 2356155000 SPUIFYQHFSLTTD-UHFFFAOYSA-N 369.465 2.763 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cc1F 2356157818 SGSVZGIKVMXPOG-FUHWJXTLSA-N 352.409 2.543 0 50 FFAA O=C(c1ccco1)N1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 4741403 FLTHGDUAHACOLC-UHFFFAOYSA-N 351.378 2.713 0 50 FFAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)CN2CCCCC2=O)C1 23368468 VNNHCBKUVLXOCC-HNNXBMFYSA-N 374.506 2.842 0 50 FFAA O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccc(F)c2)CC1 20996253 VAYZLACJTANMOB-UHFFFAOYSA-N 364.424 2.969 0 50 FFAA O=C(c1cscn1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1 20295396 YOHPGACRNMBEFC-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA Cc1nn(CC(=O)O)c(C)c1NC(=O)c1cc(-n2cccn2)ccc1Cl 55325025 BCNGHCUPXKJOBB-UHFFFAOYSA-N 373.800 2.676 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)NCC1CCN(CCO)CC1 111869546 YPBPDQUQIMBVJH-UHFFFAOYSA-N 373.419 2.551 0 50 FFAA O=C(COc1ccc(-c2nccn2C2CCCC2)cc1)N1CCOCC1 67678134 LRHHAHOLALNFDY-UHFFFAOYSA-N 355.438 2.903 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@@H]3CCCCCN3C)CC2)c1 67908204 FNQHCQVULRJVDY-FQEVSTJZSA-N 374.525 2.713 0 50 FFAA CC(C)(N)C(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67757805 UKGKNOVOVNXHBU-UHFFFAOYSA-N 361.829 2.566 0 50 FFAA C[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)c1nc(Cc2ccccc2)no1 137804945 CQJJNKFCWBBENB-RKTXRCNFSA-N 370.453 2.978 0 50 FFAA COC(=O)c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 20407089 AKKDETWHIWGKDV-UHFFFAOYSA-N 354.475 2.967 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)C3CCCCC3)nc(C)n2)n1 65362666 HZRBWVDKSGCEPB-UHFFFAOYSA-N 356.474 2.696 0 50 FFAA Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1N(C)S(C)(=O)=O 65364824 LBYOKBLJFFIMPX-UHFFFAOYSA-N 366.870 2.974 0 50 FFAA Cc1c([C@H]2c3nc[nH]c3CCN2Cc2cccn2-c2cccnc2)cnn1C 67588074 CFMCJHCJPCFTIB-NRFANRHFSA-N 373.464 2.785 0 50 FFAA Cc1ccc([C@H]2CCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)C2)c(C)c1 332281845 JPVQZMVLNUWXNY-AVRDEDQJSA-N 368.477 2.541 0 50 FFAA CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]1CC(c2ccncc2)=NO1 252492685 MSEGFVBSLQHWQF-SFHVURJKSA-N 373.840 2.986 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)CCc1nc(-c2ccccc2F)no1 65396446 CMVBJMVIZZRBOL-UHFFFAOYSA-N 372.404 2.639 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cccn2C2CC2)cs1 328636281 NZJMTFXSAICMOU-BBRMVZONSA-N 362.474 2.930 0 50 FFAA O=S(=O)(C[C@@H]1CCCO1)Nc1ccc2nc(N3CCCC3)sc2c1 172365073 LFKXHIHDOKFZLT-ZDUSSCGKSA-N 367.496 2.817 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12433858 OCHHBEBPGGKEAQ-QFIPXVFZSA-N 370.541 2.946 0 50 FFAA C[C@H](NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@H]1CCCO1 2778254 LEUGHDDERXVQFI-LKFCYVNXSA-N 350.369 2.842 0 50 FFAA CCOC(=O)c1cc(C(=O)Nc2nc3ccc(OCC)cc3s2)nn1C 2748026 VISXKIAFLOUXTG-UHFFFAOYSA-N 374.422 2.858 0 50 FFAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2cc(Br)cn2C)on1 151534745 RWROEQAOFMKFAP-SNVBAGLBSA-N 355.236 2.543 0 50 FFAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N(C)C2Cc3ccccc3C2)[nH]1 72162469 GAYRUANAQAJMDM-OALUTQOASA-N 366.509 2.552 0 50 FFAA O=C(CCN1C(=O)CCc2ccccc21)NCc1ccc(-n2ccnc2)cc1 152765185 PWEUTSGDIJFZMB-UHFFFAOYSA-N 374.444 2.858 0 50 FFAA O=C([C@H]1CCCN1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 72419496 PRKXPNCIWAUDKW-OAQYLSRUSA-N 364.489 2.913 0 50 FFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)NCCC(C)(C)C)CO2 71762589 WZMSMFVTHPZFSB-HNNXBMFYSA-N 361.486 2.528 0 50 FFAA CCCCc1nc(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)c[nH]1 72130732 BKTSDYOKLJFGLH-UHFFFAOYSA-N 356.470 2.719 0 50 FFAA C[C@H]1C[C@@H](CN)CN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 261919944 ZGQNQASEEFHDSQ-KBPBESRZSA-N 367.478 2.805 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(F)c1 77322248 HAPJIFAWYQLBAU-HNNXBMFYSA-N 368.474 2.690 0 50 FFAA Cc1n[nH]cc1C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1 375394767 VMYALKDAUGUIMK-INIZCTEOSA-N 354.454 2.819 0 50 FFAA Cc1c(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)sc2nc[nH]c(=O)c12 77471837 XLEQOHJGHJRXQK-JTQLQIEISA-N 373.438 2.777 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2cnc3c(c2)CCCC3)N2CCOCC2)o1 216315755 CLTOGPNFMZHLHJ-LJQANCHMSA-N 369.465 2.665 0 50 FFAA O=C1NCCN1c1cccc(-n2ccnc2-c2ccc3c(c2)OCCO3)c1 71759161 HCTONDNWHLNDBL-UHFFFAOYSA-N 362.389 2.840 0 50 FFAA O=c1n(Cc2ccc(F)cc2F)nc([C@H]2CCCNC2)n1-c1ccccc1 71662574 PUUUVGFDQITTOV-AWEZNQCLSA-N 370.403 2.828 0 50 FFAA Cc1ccc(F)c(CN2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1Cl 77436454 GRFFPVUPHALAJE-IBGZPJMESA-N 368.880 2.984 0 50 FFAA C[C@H](C(=O)O)N(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC1 263557129 PALMDJAMOPWOHU-MRVPVSSYSA-N 356.209 2.648 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)c1 82121148 VFDWFWMSVHOWTL-GOSISDBHSA-N 354.450 2.864 0 50 FFAA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)nn1 48179646 UDPXNCKCPPZMDR-MRXNPFEDSA-N 368.481 2.964 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1CCc1nccn1C 82092665 KISFFQCTOMMPAD-QGZVFWFLSA-N 357.502 2.717 0 50 FFAA Nc1[nH]nc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1-c1ccccc1 223371311 KQYYFZIAYVPUPD-UHFFFAOYSA-N 364.384 2.647 0 50 FFAA COc1ccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2=O)cc1 82107584 LPAYVARJPJOZCU-UHFFFAOYSA-N 368.408 2.741 0 50 FFAA C[C@H](NC(=O)c1ccc(-c2ccc(CCO)cc2)cc1)c1nncn1C 426425230 LHKTVONUVSOGGD-AWEZNQCLSA-N 350.422 2.508 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccc3sccc3c2)C[C@@H](C)S1(=O)=O 291780663 GCMPNTMQYDCWCJ-VXGBXAGGSA-N 352.481 2.618 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(CN3CCCC3)o1)C2 95502140 LSUUOFAFKHQNBS-HNNXBMFYSA-N 370.449 2.865 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)CN(C)Cc2ccccn2)C1 92028162 SFHXEDHLTLYBFH-HXUWFJFHSA-N 359.470 2.563 0 50 FFAA CN(C)[C@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 95355638 YUARAUGWJXREHS-IBGZPJMESA-N 356.441 2.939 0 50 FFAA Cc1nccn1[C@@H](C)CC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91655830 SSSYBMGYHUWXGV-HNNXBMFYSA-N 358.486 2.536 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91933939 JWPLZPJQWYTVNQ-KRWDZBQOSA-N 364.453 2.563 0 50 FFAA COCC[C@@]1(CO)CCCN(C2CCN(c3ccc(F)cc3)CC2)C1 91452351 KJQPCTWKWHRRRQ-FQEVSTJZSA-N 350.478 2.906 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1 95527347 QLVPJCGTUQWSGY-AWEZNQCLSA-N 351.410 2.828 0 50 FFAA CCn1ccnc1C1CCN(C(=O)COCc2nc3ccccc3[nH]2)CC1 91650869 MRQMVJYZSVQJPF-UHFFFAOYSA-N 367.453 2.702 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(N3CCNC3=O)c2)c1 91707302 NLTQDXWKPRRAGV-MRXNPFEDSA-N 366.465 2.931 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2OCC2CC2)C[C@H]1C(F)(F)F 299740548 BNYYNPWKTMTIKH-CHWSQXEVSA-N 357.328 2.811 0 50 FFAA O=C(NCc1ccccc1F)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263617114 MDAONSNODCKQKZ-KRWDZBQOSA-N 370.359 2.758 0 50 FFAA O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCc2ccccc2C1 263616893 LBMYEDNUJLYJCP-LJQANCHMSA-N 360.417 2.748 0 50 FFAA Cc1cc(NC(=O)N[C@H]2CCCN(c3cnccn3)C2)n(CCC(C)C)n1 299787113 VHVCTJRDTWKUQP-INIZCTEOSA-N 371.489 2.818 0 50 FFAA COc1ccc2nc(CNC(=O)c3nc4cc(C)ccn4c3F)[nH]c2c1 670466096 TXAVQEHNJOBBQP-UHFFFAOYSA-N 353.357 2.597 0 50 FFAA C=CC(=O)NCC(C)(C)C1CCN(C(=O)c2ccnc(CC(C)C)n2)CC1 1875386535 SNMXJKDPDDMLQR-UHFFFAOYSA-N 372.513 2.856 0 50 FFAA O=C(N[C@H]1C[C@H](NC(=O)C2CCC3(CC2)CC3(F)F)C1)c1ccco1 1875406673 JUHIXOZHEULPFV-LMTOQXECSA-N 352.381 2.872 0 50 FFAA CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(OC(F)F)n(C)n1 185732923 VQNIUCAHVIBBPM-UHFFFAOYSA-N 363.368 2.603 0 50 FFAA O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1N1CCCC1=O 1325239167 CVRIGWCWARUGOA-AWEZNQCLSA-N 358.344 2.955 0 50 FFAA COCC1=CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 170598997 UKNBADCYHZUAOJ-AEFFLSMTSA-N 362.857 2.665 0 50 FFAA Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc(N(C)C)no2)cc1Cl 170619486 ZJWXXUSHUXJPRG-AWEZNQCLSA-N 363.849 2.873 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)NCC2(Cc3ccccc3)CC2)CC1 192505731 AGSXUUCULJNWQH-UHFFFAOYSA-N 364.511 2.618 0 50 FFAA CCCNC(=O)[C@H]1CN(Cc2ccc3cn[nH]c3c2)c2ccccc2O1 194731081 NNMPZAVYAUGVJC-LJQANCHMSA-N 350.422 2.857 0 50 FFAA COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)C1 772931108 SEPOANLTLXHUOE-JKSUJKDBSA-N 370.453 2.777 0 50 FFAA COc1cccc([C@@H](C)N(C)S(=O)(=O)c2cc(C(=O)O)ccc2F)c1 1506428005 WTKROKRZISEPHR-LLVKDONJSA-N 367.398 2.914 0 50 FFAA c1ccc(CO[C@H]2CCCN(Cc3nnc(-c4cccnc4)o3)C2)nc1 1529196914 JLFXWTPDZKUDMX-KRWDZBQOSA-N 351.410 2.708 0 50 FFAA CCc1cc(N[C@@H](CCn2cncn2)c2ccccc2)nc(N(C)C)n1 1529109540 DIACKLODSBBRJT-KRWDZBQOSA-N 351.458 2.940 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c1 1529186056 UZHYKEUZOIZWCY-YLJYHZDGSA-N 365.481 2.556 0 50 FFAA COc1cccc(CNC(=O)c2cn(Cc3ccccc3Cl)nn2)c1 11873687 DBOHKNNRJMIBGL-UHFFFAOYSA-N 356.813 2.918 0 50 FFAA CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 12532275 ZNKHQWGJWCXYRV-UHFFFAOYSA-N 372.494 2.948 0 50 FFAA aggregator CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 12587576 JDPVHJUEHLBUOY-HXUWFJFHSA-N 359.514 2.569 0 50 FFAA CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 13328169 KEWKRHMOXCBPNW-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA COc1ccc(C(=O)NCC(C)C)cc1S(=O)(=O)N1CCCCCC1 13581504 VFMBBVKODKNAFX-UHFFFAOYSA-N 368.499 2.646 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1ccccc1F)C2 14538817 BISQBZCHFSKHAK-INIZCTEOSA-N 370.472 2.925 0 50 FFAA COC(=O)c1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 14993174 IOCDFDYSVYMQKP-UHFFFAOYSA-N 362.433 2.790 0 50 FFAA O=S(=O)(C[C@@H]1CSc2ncnc3ncn1c23)c1ccc(Cl)cc1 19829260 PLPKICVDDFHSAM-JTQLQIEISA-N 366.855 2.600 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C5CC5)no4)nn3)C2)cc1 169778229 GWMHGWXKBPFEKN-HNNXBMFYSA-N 364.409 2.601 0 50 FFAA CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2OCc2ccccc2)O1 206397433 ZHFVGOMEUGAIJX-JSRQGNBESA-N 350.411 2.600 0 50 FFAA COC(=O)C[C@@H](c1ccccc1Cl)c1c(O)n2ccccc2nc1=O 205975795 ZEFDTADPADDORD-LBPRGKRZSA-N 358.781 2.749 0 50 FFAA O=C(O)c1cc(I)ccc1I 4014501 NSKPFWAAYDFCFS-UHFFFAOYSA-N 373.915 2.594 0 50 FFAA in-vitro CC[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)[C@H](O)C(F)(F)F 332730050 RDAJZHWQLKQDFL-GAFUQQFSSA-N 351.752 2.709 0 50 FFAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 248151779 XUTIVMMGKDHJEW-CVEARBPZSA-N 363.527 2.881 0 50 FFAA COc1cc(CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)ccc1O 471147986 JJTRWCWVAJNTPN-UHFFFAOYSA-N 372.421 2.633 0 50 FFAA c1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3c(c2)OCCO3)nc1 253589833 ACSYPUSTYDBYOV-QUCCMNQESA-N 365.477 2.949 0 50 FFAA C[C@@H](CN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)C1CC1)C(=O)O 909457088 JCHGSXGGOFGQCM-ZETCQYMHSA-N 357.382 2.898 0 50 FFAA CCOCc1nc(C)c(C(=O)N(C)C2CN(C(=O)OC(C)(C)C)C2)s1 832215419 SNFVKGLDBGTOMP-UHFFFAOYSA-N 369.487 2.679 0 50 FFAA O=c1[nH]c(=O)n(Cc2ccccc2)c2nccc(-c3ccc4c(c3)OCO4)c12 9420435 OQRZXLWRNFNIGA-UHFFFAOYSA-N 373.368 2.529 0 50 FFAA CCc1ccc(-c2nc(C(=O)N=c3ccn([C@H]4CCNC4)[nH]3)cs2)cc1 2325721709 ARSVOOQIODHREY-HNNXBMFYSA-N 367.478 2.778 0 50 FFAA O=C(CC12CC(C1)C2)NCC[C@@H](NC(=O)CC12CC(C1)C2)C(F)(F)F 2325776122 OYYPEVLZTVDVKR-GGMNOCSLSA-N 358.404 2.920 0 50 FFAA O=C(O)[C@H]1[C@H]2C[C@@H](C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)OC[C@H]21 2325799130 WPWAYOVIWUXOLR-QNQMUUSYSA-N 355.434 2.659 0 50 FFAA Cc1ncsc1CC(=O)OC1CC(OC(=O)Cc2scnc2C)C1 2325805162 UUCGDFRICXCBJF-UHFFFAOYSA-N 366.464 2.619 0 50 FFAA C[C@@H](Cc1ccccc1Cl)C(=O)N1C[C@@H](O)CC12CCN(C)CC2 2325810903 MTCXNSPDQJGJMF-HOCLYGCPSA-N 350.890 2.576 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC(n3cc(C)cn3)CC2)cc1 2325890051 XAWCDWRKBBCRHY-UHFFFAOYSA-N 352.438 2.818 0 50 FFAA CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2O)cc1 640474 CBWPJFQAZQPHDM-UHFFFAOYSA-N 363.439 2.760 0 50 FFAA O=C(NCc1ccccn1)[C@H]1CC(c2cccc(Br)c2)=NO1 814966 UHRFORUBJSJQCC-OAHLLOKOSA-N 360.211 2.654 0 50 FFAA CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2cccc(Cl)c2)C1=O 1216352 CVIJAXUUHVXWDD-IBGZPJMESA-N 370.792 2.907 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)Nc2ccc(F)cc2)CC[C@H]1O 2356165214 YKVKFLCMCFUEOW-CRAIPNDOSA-N 352.406 2.931 0 50 FFAA COCCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 67885552 ZVDHDLGMOCMWCF-UHFFFAOYSA-N 370.453 2.609 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)cc1OC 116996838 HXXGNLCRKCLZIE-HNNXBMFYSA-N 373.457 2.856 0 50 FFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@](C)(OC)c2ccccc2F)C1 248683290 XSVPVFJDUWDWHT-YBQZWOJLSA-N 355.475 2.883 0 50 FFAA Cc1cnc(N2CCC(Oc3cccnc3)CC2)nc1-c1cnn(C)c1 63871374 XEARQYPCUHZKSS-UHFFFAOYSA-N 350.426 2.628 0 50 FFAA COCC1(CNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCC1 409696547 HWGUYNAITXEZRZ-UHFFFAOYSA-N 363.477 2.860 0 50 FFAA CN1CCN(C[C@H]2CC[C@@H](Cc3ccc(OC(F)(F)F)cc3)O2)CC1 72408297 LGFPTNCGTGEFQA-DLBZAZTESA-N 358.404 2.923 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1-n1ccnc1C 65381800 BWKUQMLHGVRGIB-UHFFFAOYSA-N 351.454 2.780 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NN1CCCc3ccccc31)CC(=O)N2 20599453 PSPNVFCSVPCFIA-MRXNPFEDSA-N 351.406 2.605 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 20026444 BDEDGFPJOLBCCM-UHFFFAOYSA-N 352.434 2.990 0 50 FFAA c1cc(-c2cnco2)cc(-n2ccnc2-c2cnc(N3CCOCC3)nc2)c1 72473759 HSMFDKRJZSTMIA-UHFFFAOYSA-N 374.404 2.821 0 50 FFAA Cc1cnccc1N1CCCN(CCC(=O)NCc2cccs2)CC1 65526144 LPRAVNUHVOIEFG-UHFFFAOYSA-N 358.511 2.670 0 50 FFAA COc1cccc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1 23008783 UOIAQRPTNBQLBU-RMKNXTFCSA-N 365.477 2.965 0 50 FFAA Cn1ncc2c(NCc3cnn4ccccc34)nc(-c3ccncc3)nc21 72408989 DVEXCQKDBAJHRG-UHFFFAOYSA-N 356.393 2.685 0 50 FFAA CS(=O)(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(-c2cc[nH]n2)o1 67855997 RDNZNHVMWQQHEG-LBPRGKRZSA-N 372.406 2.515 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@@H]1CC1(C)C)C(=O)N(C1CCCC1)C2 71575867 QVXQIQVLENCGLS-HNNXBMFYSA-N 357.454 2.651 0 50 FFAA Cc1ccc(C2(O)CCN(c3cc(C)nc4c(C)c(C)nn34)CC2)nc1 72475187 FTUSKPPKHGUMSL-UHFFFAOYSA-N 351.454 2.846 0 50 FFAA Cc1nc(C)n(C2CN(C(=O)N3CCC(Cc4ccccc4)CC3)C2)n1 329826436 IMHYVRGYZHCCOM-UHFFFAOYSA-N 353.470 2.826 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 77302741 UFZAVQUXVWJTDP-UHFFFAOYSA-N 368.412 2.599 0 50 FFAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc(C)n1 77408341 NDBFMQLUPVLSBN-OAQYLSRUSA-N 367.497 2.873 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1nc(C(=O)O)cs1 124131141 SWNFUJBDFSQGNC-GFCCVEGCSA-N 360.435 2.976 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CN(C(=O)Nc3c(C)cccc3C)CCO2)cn1 72410250 WDPXLFAIJHYZEF-KRWDZBQOSA-N 368.437 2.878 0 50 FFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1cccc([C@@H]2CCOC2)c1 262849206 HPSQVMQTYBLKLU-SJLPKXTDSA-N 357.381 2.928 0 50 FFAA Cc1ccc(C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1C 72172894 JVXYYIOKBVKYLK-UHFFFAOYSA-N 360.417 2.647 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)cc1 219593904 OWXADTVBKYJDEW-RTBURBONSA-N 361.482 2.704 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1 378564577 IQQFHJWQHILNFD-HNNXBMFYSA-N 354.414 2.864 0 50 FFAA O=C(NCc1cccc(COC2CCOCC2)c1)c1cnn2c1CCCC2 126795461 MQTDCTYJHSOOAZ-UHFFFAOYSA-N 369.465 2.845 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCN1CC(C)(C)O 333392614 CVVMMOXTHDUQOR-QGPMSJSTSA-N 363.477 2.558 0 50 FFAA CCN1C[C@]2(CCCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CCC1=O 77488895 MPGGCOPWTDHGQA-IBGZPJMESA-N 364.511 2.549 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)C2(c3ccccc3)CC2)cn1 223282229 QCCLCUPORPNCCU-MOPGFXCFSA-N 352.434 2.774 0 50 FFAA CCN(C(=O)CCn1nnc2ccccc2c1=O)c1ccc2[nH]ccc2c1 241897413 TYNVHDNRFSJZKD-UHFFFAOYSA-N 361.405 2.716 0 50 FFAA CCOCC(C)(C)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 288379568 KNOXGFPNFRHATI-UHFFFAOYSA-N 352.456 2.991 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)NCc1ccc(-n2cncn2)cc1 223044652 AVLSHWYSWVAEEQ-UHFFFAOYSA-N 364.434 2.659 0 50 FFAA CNC(=O)c1ccc(-c2cccc(C(=O)NCC3(C)CCOCC3)c2)o1 426372072 NQVABMAECARBGT-UHFFFAOYSA-N 356.422 2.853 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N2CC(c3cccnc3)C2)c1 426388623 YXYJQSQNBBNBRD-UHFFFAOYSA-N 354.410 2.606 0 50 FFAA COc1ccc(F)cc1-c1ccc(C(=O)NCCN2CCCC2=O)cc1 426707355 FPQVPFDFHQGFFJ-UHFFFAOYSA-N 356.397 2.854 0 50 FFAA Cc1nccn1C[C@@H](C)CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 178803944 IULFNZKAEYDGBM-KKSFZXQISA-N 368.481 2.711 0 50 FFAA CC(=O)N[C@@H]1CN(c2nc(-c3ccccc3)no2)C[C@H]1c1ccc(C)o1 91625636 XZFNVAQTFVTNRQ-HZPDHXFCSA-N 352.394 2.747 0 50 FFAA C[C@@H](NC(=O)c1cccc(-c2ccc(C(N)=O)o2)c1)c1nc(C2CC2)no1 426424229 ITDHLSUYIGQAMF-SNVBAGLBSA-N 366.377 2.797 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cccc(N)n3)cc2)CC1 426427886 FEUADVUYGHOJNG-UHFFFAOYSA-N 368.437 2.682 0 50 FFAA COc1ccc(CN2CCC[C@H]2c2n[nH]c(C)n2)cc1Cn1cccn1 97679847 VSOCKQPHWTUUDR-KRWDZBQOSA-N 352.442 2.704 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1CC[C@@]2(O)CCNC[C@H]2C1 95368125 XAKFSVQFQVXQRC-UWJYYQICSA-N 352.434 2.665 0 50 FFAA COc1ccnc(-c2ccc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)cc2)n1 426486115 JWOVJUFJRXDOEN-HNNXBMFYSA-N 366.465 2.851 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N1CCC[C@@H](OCc2ccccc2)C1 95520034 HPNKMBPZMSRHFQ-LJQANCHMSA-N 370.493 2.987 0 50 FFAA CCCn1cc(NC(=O)N[C@H](C)c2cnn(-c3ccc(OC)cc3)c2)nn1 95509678 BDQFXDGASZMTDI-CYBMUJFWSA-N 369.429 2.765 0 50 FFAA Cc1ccn2cc(C(=O)NC[C@@H](c3cccnc3)N3CCCCC3)nc2c1 97698692 NAZHNGIKWZMCHW-IBGZPJMESA-N 363.465 2.995 0 50 FFAA CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)c1ccnnc1 95507163 CZCWNFLRUKCBMY-UHFFFAOYSA-N 356.445 2.642 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)CCc1cn3ccccc3n1)C2 95519711 BEABWARIOUALBP-HNNXBMFYSA-N 365.433 2.643 0 50 FFAA Fc1ccc(-c2n[nH]cc2CN2CCCO[C@H](CN3CCCC3)C2)cc1 97729993 WUILBSGRMDAWPN-LJQANCHMSA-N 358.461 2.903 0 50 FFAA Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)nc(N)n1 95376353 TUEUDEOCHIHXET-QGZVFWFLSA-N 365.481 2.600 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2[nH]cnc2[C@H]1c1ccccn1 97823445 ZICPCAFTCGSBPG-HXUWFJFHSA-N 370.416 2.983 0 50 FFAA O=C(NCCc1nnc(-c2ccccc2)o1)N1CCCC[C@@H]1c1cn[nH]c1 183358855 WCMWYHYBMULAEF-MRXNPFEDSA-N 366.425 2.939 0 50 FFAA CC(=O)N(C)C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 299451349 RNFBRDXPUIKGCQ-UHFFFAOYSA-N 357.498 2.755 0 50 FFAA Cc1nc(NC(=O)c2c(C)oc3c2C(=O)CCC3)sc1C(=O)N(C)C 1940195484 GKGSUQGPJFXCBK-UHFFFAOYSA-N 361.423 2.826 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 824828113 XUZOTGSRNXKRAZ-INIZCTEOSA-N 363.502 2.978 0 50 FFAA COc1ncc(CN2CCC[C@@H](CNC(=O)CC3CCCCC3)C2)cn1 824852011 NEJWBQVWVFECKN-KRWDZBQOSA-N 360.502 2.784 0 50 FFAA CCOc1cc(C(=O)N(C)C2Cc3ccccc3C2)ccc1OCC(=O)O 268884061 FMVNXAYXWSCMGJ-UHFFFAOYSA-N 369.417 2.788 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(-c3noc(C4CC4)n3)cc2)cn1 1875383884 BXMJZSFBGKJDEB-UPCLLVRISA-N 351.410 2.611 0 50 FFAA COc1ccccc1CN(CCCO)C(=O)c1cc2c([nH]1)CCCC2=O 1875300556 ICSTYIZZIUIPSP-UHFFFAOYSA-N 356.422 2.567 0 50 FFAA Cc1cc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C)C2)nc(N(C)C(C)C)n1 1875330539 SIDGDDBSMSYSJN-YPMHNXCESA-N 373.423 2.523 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2c(C)nn(CCOC)c2C)cc1 1875373548 FMNJMBOAERRHPU-UHFFFAOYSA-N 356.426 2.547 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccccc1-c1ncc[nH]1 1875314712 NOKUJTRYTASXOB-OLZOCXBDSA-N 365.437 2.762 0 50 FFAA O=C(c1ccsn1)N1CCC2(CCC(NC(=O)C34CC(C3)C4)CC2)C1 1875405002 JOXKPXJCKZZHRB-UHFFFAOYSA-N 359.495 2.834 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)/C=C/c2nc3ccccc3s2)on1 952976488 GCOJKZHTWKUTMF-BLRPHBDSSA-N 369.446 2.980 0 50 FFAA Cc1cccc(C)c1CC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1 886039593 XGBGOEGLBVOFTH-UWJYYQICSA-N 351.450 2.577 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)on1 1565526158 LLXBRIBNGVQUJO-QAPCUYQASA-N 351.450 2.687 0 50 FFAA CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)Cc1c(F)cccc1F 165299422 YKHIPKZREJTPQD-MRXNPFEDSA-N 355.410 2.538 0 50 FFAA Cn1ccnc(N2CCC[C@@H](NC3CC(c4ccc(Cl)cc4)C3)C2)c1=O 275359259 AVODIVQVYCOWHH-IIIMJFFVSA-N 372.900 2.938 0 50 FFAA Cn1cncc1[C@H]1C[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)CCO1 275563519 NZZNMFMWLOLCSA-XJKSGUPXSA-N 363.845 2.855 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)n[nH]1 189717776 RLHINPAAMKCMQB-UHFFFAOYSA-N 355.829 2.882 0 50 FFAA O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)NC[C@@H]1CC[C@H](O)C1 190054613 MNBRFFVZJXLARV-FHLIZLRMSA-N 365.905 2.937 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 1704307937 AKBJNYAKMFQNJP-QGZVFWFLSA-N 356.466 2.950 0 50 FFAA CO[C@H]1CN(c2nc(N3CCCC3)nc(C)c2C)C[C@H]1Cc1cc(C)no1 1704342703 CFOSPDATOUWQKW-AEFFLSMTSA-N 371.485 2.684 0 50 FFAA CCCCc1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1704337797 DXFWZSRRTXDWHC-UYAOXDASSA-N 374.506 2.960 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccnc2)CC1 12305637 MAIYGYKMLQNKSG-HXUWFJFHSA-N 358.530 2.674 0 50 FFAA CCCCNC(=O)c1cn([C@@H](C)CC)cc(C(=O)NCc2ccco2)c1=O 12326632 LXZXXQNOERTPKR-AWEZNQCLSA-N 373.453 2.872 0 50 FFAA CN(C(=O)CSc1ncccn1)[C@@H]1CCCN(Cc2ccccc2F)C1 12596641 RQRPMZOBHLFZLU-MRXNPFEDSA-N 374.485 2.831 0 50 FFAA O[C@H]1CCCN(c2ccc(-c3nc(Cc4ccc(F)cc4)no3)cn2)C1 14950195 QRONTCKASQDEBB-INIZCTEOSA-N 354.385 2.823 0 50 FFAA COCCN1CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CCC1=O 14999494 FODRGWSSZBHJKV-FQEVSTJZSA-N 358.482 2.668 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]1(O)CN1CCC(Cc2ccccc2F)CC1 15067546 SCJTUAZJCMOCBD-JOCHJYFZSA-N 374.500 2.844 0 50 FFAA CN1CCN(Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 19830647 DWGMMNVTTUHPRY-UHFFFAOYSA-N 363.465 2.573 0 50 FFAA CN1CCN([C@H](c2ccccc2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 19850130 QPHQJYMBSDNNLS-IRLDBZIGSA-N 363.461 2.700 0 50 FFAA O=C(O)COc1ccccc1-c1nccn1[C@H](CO)c1ccc(F)cc1 1857739330 IMOALQFWQHANFZ-MRXNPFEDSA-N 356.353 2.734 0 50 FFAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3cccc(Cl)c3F)C[C@H]2CO1 1857741114 DAOIWOSAKYJQSQ-IHRRRGAJSA-N 365.836 2.739 0 50 FFAA O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl 329561457 JGPGJRCDDAIHJG-DZGCQCFKSA-N 369.820 2.845 0 50 FFAA O=C(N[C@H]1COc2cc(F)c(Br)cc21)C1(O)CCCCC1 332335581 REGJRATXTSENSC-LBPRGKRZSA-N 358.207 2.833 0 50 FFAA CCNC(=O)N1CCN(C(=O)c2cccc(Br)c2Cl)CC1 136109607 MNCVSWZEOFWUJS-UHFFFAOYSA-N 374.666 2.590 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](CC(C)C)C(=O)O 262424437 DBVDQDGGHLUWHK-FUHWJXTLSA-N 358.438 2.814 0 50 FFAA Cc1ccc(C2=NO[C@@H](CNC(=O)N3CC[C@H](N4CCCC4)C3)C2)cc1C 802379169 IAASLZMPESGOEU-RBUKOAKNSA-N 370.497 2.676 0 50 FFAA O=C(CSc1nnnn1-c1ccc(F)cc1F)Nc1ccccc1F 877386 HXRCFBSOOUDDRM-UHFFFAOYSA-N 365.340 2.810 0 50 FFAA COc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)n(C)c1nc3ccccc3n21 4708472 JTHAGGCZVPGEPM-CYBMUJFWSA-N 374.400 2.669 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3nc(-c4ccco4)no3)C[C@H]2C1 2100473464 MIACQBVFSFVNBW-GEEKYZPCSA-N 372.469 2.839 0 50 FFAA O=C(CCn1ccccc1=O)Nc1n[nH]c2c(C(F)(F)F)cccc12 2100483676 JBHDGPSNMBHDMY-UHFFFAOYSA-N 350.300 2.772 0 50 FFAA CC[C@H](C)n1cnc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)O)c1 2325739322 PFBDJRFXTHKVGS-LBPRGKRZSA-N 351.428 2.970 0 50 FFAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(C[C@@H]2CCCOC2)s1 2325781464 ROSKLRNXPITWJX-JSGCOSHPSA-N 360.483 2.904 0 50 FFAA COc1ccc(-n2nc(C(C)C)nc2[C@H](O)C2CCOCC2)cc1OC 2325849327 LZMXVCQBMFOEKB-QGZVFWFLSA-N 361.442 2.868 0 50 FFAA O=C(CSc1nnc2scc(-c3ccccc3)n12)NC[C@@H]1CCCO1 937471 HKLDILFLBKPVKK-ZDUSSCGKSA-N 374.491 2.845 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)CN(C)Cc2cccnc2)CC1 2356137398 MFQLTCWQHUZZKF-UHFFFAOYSA-N 353.466 2.678 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1Cl 4778321 KHVDFVTURMWCPZ-LLVKDONJSA-N 368.842 2.654 0 50 FFAA CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc2c1CCCC2 6492033 WDHBSKJRWFPWNX-UHFFFAOYSA-N 366.468 2.653 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cs1 6681545 LCFQTKCOXZELQT-UHFFFAOYSA-N 364.370 2.927 0 50 FFAA CCc1ccc(CNC(=O)CCc2nc(-c3ccccc3OC)no2)nc1 55387207 NIOZISPJNNKOCN-UHFFFAOYSA-N 366.421 2.952 0 50 FFAA CN(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1 28896862 DWLVLJKJVGNXCB-UHFFFAOYSA-N 366.465 2.704 0 50 FFAA CCN1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 20102435 SDDYEZCJBVQSMW-UHFFFAOYSA-N 357.317 2.846 0 50 FFAA CCc1nccn1CCC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 222416226 QCERSTWTLPOKCU-LJQANCHMSA-N 354.498 2.816 0 50 FFAA O=C(c1cc2ccccc2o1)N1C[C@H]2[C@@H](C1)OC(=O)N2Cc1ccccn1 67840209 QQDQYMJQIDANOW-MAUKXSAKSA-N 363.373 2.673 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)CCC1=O 143368581 NTXNVZIFOWTIBP-FQEVSTJZSA-N 361.438 2.989 0 50 FFAA Cc1ccc(C(=O)NCC2(Cn3ccnc3)CC2)cc1NC(=O)C1CC1 65383949 AKVJYKOHWSHCKK-UHFFFAOYSA-N 352.438 2.750 0 50 FFAA Cc1ccc(-c2nnc(CN[C@@H](C)CN3CCc4ccccc4C3)o2)n1C 65467025 SQBUZEYAONWVCI-HNNXBMFYSA-N 365.481 2.920 0 50 FFAA NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCc2occc21 119600523 BQDGBFHTPDUKJT-SJORKVTESA-N 366.421 2.534 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1NC(C)=O 230069336 IMPZRPWKSOVQII-RHSMWYFYSA-N 366.483 2.997 0 50 FFAA O=S1(=O)CC[C@@]2(C[C@@H](NC3CC(c4cc(F)cc(F)c4)C3)CCO2)C1 377550189 OFCBYBFPUPSJTC-DILQNVEWSA-N 371.449 2.537 0 50 FFAA CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccccc2)c2ccccc12 12411178 KADXMZDVLNWDDF-UHFFFAOYSA-N 363.417 2.780 0 50 FFAA biogenic,in-vitro COc1ccc(-c2nc(CN(C)Cc3cnc(N)nc3)c(C)o2)cc1OC 71777064 UMXCWRXBNVKIHE-UHFFFAOYSA-N 369.425 2.671 0 50 FFAA C[C@H]1CCN(S(=O)(=O)C[C@H](C)COC2CCCC2)C[C@@H]1n1ccnc1 328742140 JHEMULOJGGUMOJ-RYRKJORJSA-N 369.531 2.691 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219306301 ANQAFFQXAGDOLZ-QZTJIDSGSA-N 361.388 2.998 0 50 FFAA COc1cccc(OC)c1CC(=O)NCc1ccccc1-n1ccnc1 153501490 DSUKVCVDLDTRSJ-UHFFFAOYSA-N 351.406 2.748 0 50 FFAA Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)o1 71748404 AOFSQAIUEMWUKF-SFHVURJKSA-N 359.514 2.887 0 50 FFAA Cn1cc(Br)cc(NC(=O)c2noc3c2CCCCC3)c1=O 155788750 GHPIOGPDJMWNLQ-UHFFFAOYSA-N 366.215 2.657 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)Nc2ccccc2)CC1 77553834 PWGQSMCNKYKBHO-UHFFFAOYSA-N 368.485 2.822 0 50 FFAA CCN1CCN(Cc2cc3cc(C)ccc3nc2N2CCC[C@@H](O)C2)CC1 72463554 UDGBVTNXRFAAPY-HXUWFJFHSA-N 368.525 2.642 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)sc2C1 331746675 DAONYQJTKKGCEU-BDAKNGLRSA-N 361.389 2.617 0 50 FFAA O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)N1CCC(Cc2ccccc2)CC1 378411181 UKHRKBYTVFNBCH-FPOVZHCZSA-N 358.482 2.989 0 50 FFAA CCc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2nc(C)c(C)c2n1 72421502 CJCSFOXYSQHGMH-UHFFFAOYSA-N 355.486 2.747 0 50 FFAA COc1ccc(C)nc1NC(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 127507779 SHCGKJAOJRFGAI-CQSZACIVSA-N 354.410 2.605 0 50 FFAA O=C(c1ccnn1C(F)F)N1CCN(c2nc3ccccc3s2)CC1 72474003 MXKZYMRHDOPIIC-UHFFFAOYSA-N 363.393 2.850 0 50 FFAA O=C(CCN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1)NC1CCCCC1 219905253 YRLLXMCQXLASFN-MSOLQXFVSA-N 362.445 2.765 0 50 FFAA CC(C)n1cc([C@@H]2CN(Cc3ccc4c(c3)ncn4C)C[C@H]2CO)cn1 284651959 PLTVCUPVNXDJQN-ROUUACIJSA-N 353.470 2.559 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H](C)C2)cc1 77378065 ORUJDEOHACBPSU-QGZVFWFLSA-N 361.449 2.927 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cnn4ccccc34)C2)c1 77485721 OZJJWGNIEHPMLY-AWEZNQCLSA-N 351.406 2.981 0 50 FFAA CNc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cn1 285158237 PIHTYAILWKXSJW-UHFFFAOYSA-N 350.466 2.786 0 50 FFAA CCCc1cc(C(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)no1 82136738 VNKUJVLTNOFTMI-GFCCVEGCSA-N 352.818 2.759 0 50 FFAA Cc1nc(C)c(S(=O)(=O)N2C[C@H](n3ccnc3)Cc3ccccc32)s1 176502088 XFNRPINEIRLRBT-OAHLLOKOSA-N 374.491 2.949 0 50 FFAA CN(C)CCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397244 UPQNPJWUIBHYQJ-UHFFFAOYSA-N 367.840 2.926 0 50 FFAA CC(C)Oc1ncccc1NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 176881652 XLHMZNBSIDKWHU-LBPRGKRZSA-N 360.380 2.969 0 50 FFAA Cc1nnc(CCNC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)s1 426549056 FONFAYIPNWACFF-UHFFFAOYSA-N 368.462 2.753 0 50 FFAA O=C(COc1ncnc2ccccc12)NC[C@@H]1CCN(c2ccccc2)C1 222535618 DFMASLZLRVRXJK-INIZCTEOSA-N 362.433 2.651 0 50 FFAA Cc1nc(O)c(C(=O)NCCc2nc(C)c3c(n2)CCC3)c(C)c1Cl 426490334 PRSSHENAEGQKEA-UHFFFAOYSA-N 360.845 2.617 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82161123 BULYGCWOPDXNCE-FQEVSTJZSA-N 360.502 2.620 0 50 FFAA Cc1n[nH]c(C)c1CCN1CCC(C(=O)N2CCc3ccccc3C2)CC1 426472971 QLKCUKRFFFRVGU-UHFFFAOYSA-N 366.509 2.866 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(CC2CC2)[C@H](CCO)C1 230472393 ONQYTUYOBLMXRZ-QGZVFWFLSA-N 370.415 2.553 0 50 FFAA CCCNC(=O)C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 91270396 AWLWGWOVYNHQQF-QGZVFWFLSA-N 368.481 2.837 0 50 FFAA COc1cccc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)c1OC 95359207 AMEGDXSGWMIWSD-SFHVURJKSA-N 355.438 2.552 0 50 FFAA CCc1nc(C)sc1CNC(=O)c1cnc(-c2cccnc2)nc1O 96140394 LDSSMHIPAJFEBX-UHFFFAOYSA-N 355.423 2.502 0 50 FFAA O=C(CCC(=O)N1CCCN(Cc2cccnc2)CC1)Nc1ccccc1 426369115 DNVCICGUQJSBGD-UHFFFAOYSA-N 366.465 2.535 0 50 FFAA CN(C)[C@@H](C(=O)N1CCCN(Cc2cccnc2)CC1)c1cccc(F)c1 95384257 ICGIODYKQOGESP-HXUWFJFHSA-N 370.472 2.558 0 50 FFAA CC(C)[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@H]1N(C)C 91691185 UGZAOGGWWCXCAR-JKSUJKDBSA-N 354.878 2.821 0 50 FFAA CCc1ccccc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)O)C2)CC1 91410192 MWQISMPDAYJDRH-INIZCTEOSA-N 358.482 2.927 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CN(c4ccccc4)CCO3)[nH]n2)o1 91270246 XUAVFQAXQGAYMO-INIZCTEOSA-N 366.421 2.613 0 50 FFAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)cc1 426635189 ALGKAFNYMDTKOP-OAHLLOKOSA-N 373.474 2.914 0 50 FFAA COc1cc(F)ccc1[C@H](C(=O)O)N1CCC(O)(c2ccccc2)CC1 95391894 KMMJVHYPLCJFBB-GOSISDBHSA-N 359.397 2.944 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)no1 91713427 KTEQMTHHRFYUKB-HNNXBMFYSA-N 351.410 2.643 0 50 FFAA CC[C@@]1(C)CC(=O)c2cc(NC(=O)NCCCn3ccnn3)ccc2O1 96180425 NRRNUGXVCNICGD-SFHVURJKSA-N 357.414 2.624 0 50 FFAA CCOc1cc(F)cc([C@H](C(=O)O)N2CCN(c3ncccc3C)CC2)c1 95531538 MANPGWREHVFVKO-GOSISDBHSA-N 373.428 2.876 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)c1ccc([C@H]3CCCO3)s1)C2 91931255 PPJVQDQKLLZZQQ-OAHLLOKOSA-N 361.467 2.507 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC(Oc3ncccn3)CC2)c(C)c1 252503757 VGQTZUDQSLRFJL-UHFFFAOYSA-N 354.454 2.965 0 50 FFAA COCCn1ccc(NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)n1 183803211 LOBUZYWUORFQPG-CQSZACIVSA-N 363.487 2.502 0 50 FFAA Cc1ccc(CS(=O)(=O)N(C)[C@H]2CCCc3c2cnn3C)cc1F 184211095 PIAZPXXIALNUHL-KRWDZBQOSA-N 351.447 2.707 0 50 FFAA COc1cc2c(cc1CNC(=O)N1CCC[C@H](c3noc(C)n3)C1)CCC2 534593102 XSFZMVGROKBOET-INIZCTEOSA-N 370.453 2.965 0 50 FFAA COc1cccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1 263619016 WMROGFRRLKOBPF-LJQANCHMSA-N 366.396 2.730 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCc1nn(CC)c2ccccc12 534647215 DUEGIYZJXOAVIZ-GOSISDBHSA-N 371.485 2.599 0 50 FFAA CCOc1c(CNC(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)cccc1OC 534669044 SVJXXHISFWCNRI-OAHLLOKOSA-N 373.457 2.610 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)[C@H]3CCc4ncnn4C3)cn2)c1 1940196014 CNBIDCWFAWDUPG-ZDUSSCGKSA-N 365.393 2.675 0 50 FFAA CC(C)(O)c1cncc(-c2cccc(C(=O)NCCCn3ccnc3)c2)c1 299756894 JUJDHRFOGOCRBU-UHFFFAOYSA-N 364.449 2.993 0 50 FFAA CCc1sc2ncn(CCCc3nn[nH]n3)c(=O)c2c1-c1ccccc1 584904210 XHWFTGWXHPPCPW-UHFFFAOYSA-N 366.450 2.833 0 50 FFAA CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](CC)c2cc(F)ccc2F)C1 268513168 CUJRCZDEIKNIKX-WFASDCNBSA-N 354.401 2.519 0 50 FFAA Cc1cc(N2CCC(N(C)C(=O)COC(F)F)CC2)nc(C(C)C)n1 1875255467 KIARGQBQVVRIMF-UHFFFAOYSA-N 356.417 2.575 0 50 FFAA Cc1cccc(N2CCC(NC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)n1 1875394600 OUOZLDUDOQOXDH-KGLIPLIRSA-N 369.469 2.534 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ncoc2C(F)(F)F)C3)o1 952851910 ZSJQWBOVDFIARG-XPTSAGLGSA-N 356.304 2.579 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CCC1 1875406898 ORIWMYCNZQCEIE-VBNZEHGJSA-N 358.486 2.522 0 50 FFAA Cc1ccccc1CNC(=O)[C@H](C)N1CC[C@H](CNc2ccccn2)C1 171643107 QRULFPQDBZALTN-ZWKOTPCHSA-N 352.482 2.829 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)NC3CCN(c4nccs4)CC3)c2n1 281303424 OVSWDQJNJBGTAC-UHFFFAOYSA-N 370.482 2.510 0 50 FFAA O=C(NS(=O)(=O)N1CCc2ccccc21)c1ccc(OC2CCC2)cc1 744095159 DDEPLKUWTPGIOG-UHFFFAOYSA-N 372.446 2.655 0 50 FFAA O=C(OCCCn1c(O)nc2ccccc21)c1nnc(O)c2ccccc12 747448979 DEGWXTPZQORHEL-UHFFFAOYSA-N 364.361 2.638 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 1506404255 GQCZVIFSBTVETI-SFHVURJKSA-N 350.503 2.833 0 50 FFAA COc1cc2nc(N[C@@H](C)c3nncn3C(C)C)nc(N)c2cc1OC 1529178592 OPZRPUFZZFENKS-JTQLQIEISA-N 357.418 2.575 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2n[nH]c3c2CCC3)CC1 1704328044 WUEJEYCIOOGRAK-UHFFFAOYSA-N 367.449 2.611 0 50 FFAA C[C@@]1(O)CCOC2(CCN(Cc3ccccc3-c3ccco3)CC2)[C@H]1O 1704303797 IZLVBLTWQMAKIN-VQTJNVASSA-N 357.450 2.813 0 50 FFAA CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1Cl 1704356500 YIIFQMFSZXRVIK-NVXWUHKLSA-N 360.841 2.809 0 50 FFAA COc1cccc(N2CCC(N[C@H]3COC[C@H]3Cc3ccncc3)CC2)c1 1704342888 GAYBZFRITGBOOU-GCJKJVERSA-N 367.493 2.906 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C(F)(F)F)c(F)c3)C[C@H]2O)n[nH]1 1704301004 FTOPWEGOBVQNQR-MLGOLLRUSA-N 357.351 2.911 0 50 FFAA Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 5092224 FQTYNZAOJRUCGE-GDNBJRDFSA-N 374.443 2.901 0 50 FFAA Cc1nc(C2CCN(C(=O)c3ccccc3C)CC2)n(-c2ccnn2C)n1 1772805427 NVQWBTYSPXSYRQ-UHFFFAOYSA-N 364.453 2.637 0 50 FFAA O=C(c1cccc(N2CCOCC2)c1)N1CCO[C@@H](Cc2ccccc2)C1 12307448 QEMZSXSCGAMZPV-NRFANRHFSA-N 366.461 2.607 0 50 FFAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCC[C@H](O)C1 12595852 RULFDPMBUDGKOR-NSHDSACASA-N 354.765 2.643 0 50 FFAA CCc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)o1 12715044 XNMZWATUBDVBFE-INIZCTEOSA-N 359.514 2.797 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1 16607228 UHXFJYYVMCSKJM-UHFFFAOYSA-N 352.500 2.619 0 50 FFAA CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 18093823 KVHLICAWTLDEGX-MRXNPFEDSA-N 364.467 2.840 0 50 FFAA CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 18325326 UYELBBIQVCDVAQ-UHFFFAOYSA-N 370.478 2.777 0 50 FFAA O=C1NCCC[C@]12CN(Cc1ccc(-c3ccccc3)cc1)CC[C@H]2O 1857683581 XJUOWKRWPQLOQL-IFMALSPDSA-N 350.462 2.817 0 50 FFAA Cc1ccccc1-n1cc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)cn1 1857738069 QGQVKAAAFNPVSN-YVNJGZBMSA-N 366.509 2.722 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2c(C)noc2C)c(C)o1 222013108 LGFFDGSXFYKNGW-CVEARBPZSA-N 371.437 2.764 0 50 FFAA Cc1nn(C)c(C)c1[C@H](NC(=O)c1cccc2c1OCCO2)C(F)(F)F 331787713 ONIMRDKFQWWYKX-HNNXBMFYSA-N 369.343 2.842 0 50 FFAA NCCCOC1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 237847234 RYAUXCIHAJXGNH-UHFFFAOYSA-N 355.438 2.844 0 50 FFAA CCc1cc(C)c(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)o1 135371302 KKYBWQKXPSVWFN-UHFFFAOYSA-N 358.413 2.817 0 50 FFAA O=C1CCc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2N1 151050196 ZVMITFIWOSWXLX-UHFFFAOYSA-N 355.360 2.784 0 50 FFAA CN1CCC[C@H](CN(C)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 265272071 GWBJKPQLSIKJCL-ROUUACIJSA-N 372.513 2.731 0 50 FFAA O=C1C[C@H](C(=O)N2CCC[C@H](Nc3ccccc3)C2)CN1CC(F)(F)F 164123214 LOOXOCVGSZSOJF-ZFWWWQNUSA-N 369.387 2.500 0 50 FFAA Cc1ccc(CN2C[C@H]3COC[C@@H]2CN(C(=O)Cc2cccs2)C3)o1 1704354429 DYQSSBNKOZERAM-CVEARBPZSA-N 360.479 2.551 0 50 FFAA NC(=O)N1CC[C@H](CNc2nc(-c3ccccn3)nc3sccc23)C1 858543188 GHSWLUCWEFYOEE-LLVKDONJSA-N 354.439 2.566 0 50 FFAA CCN(CC)C(=O)c1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 4487949 GNKUGXOKMHKGJH-UHFFFAOYSA-N 367.409 2.945 0 50 FFAA O=C(O)[C@H]1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1(F)F 2325758931 JVWCQHCIGKUTTE-CQSZACIVSA-N 360.364 2.543 0 50 FFAA CN1C[C@@]23CCC[C@@]2(C1)CN(c1ccc2nnc(-c4ccccc4)n2n1)C3 2325775667 ZEAOXGCHMDRDMY-NHCUHLMSSA-N 360.465 2.713 0 50 FFAA Cc1c(-c2nc([C@@H]3CCC(=O)N(c4ccccc4)C3)no2)cnc2ccnn12 2325787177 HGYCSOJNCWVCHI-CQSZACIVSA-N 374.404 2.998 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N1CCC[C@H]([C@@]23CC[C@H]2CCN3)C1 2325787774 WHRUSOGXHYLVLV-NPPFBWRTSA-N 368.525 2.753 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)c3cccs3)C2)n[nH]1 2325843096 UEQAZLDXDOCOPB-QWHCGFSZSA-N 360.483 2.729 0 50 FFAA CCc1ccc2c(c1)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)O)CCC2 2325863781 WLBBZOIWDGZAON-LJQANCHMSA-N 366.461 2.814 0 50 FFAA O=S(=O)(CCc1nc2ccccc2[nH]1)CCc1nc2ccccc2[nH]1 638464 SBEZFTXVFVWTHJ-UHFFFAOYSA-N 354.435 2.639 0 50 FFAA CCn1c(C)c(C(C)=O)c(N2CCN(C(=O)c3ccco3)CC2)nc1=S 1406967 JDXFWGFXMYJIAT-UHFFFAOYSA-N 374.466 2.699 0 50 FFAA O=C(Nc1nccc2nncn12)c1ccccc1OC(F)(F)C(F)F 2356163647 MFJIPJFNZRJHKN-UHFFFAOYSA-N 355.251 2.613 0 50 FFAA O=c1oc2ccccc2n1CCN(Cc1ccccn1)C[C@H]1CCCO1 55369318 LWEVDISFSDGMSC-QGZVFWFLSA-N 353.422 2.671 0 50 FFAA COc1ccc(-n2[nH]c3cc(=O)n(Cc4ccccc4)c(C)c3c2=O)cc1 9482396 ANKFMCUMWMEHBE-UHFFFAOYSA-N 361.401 2.846 0 50 FFAA Cc1cccc2c1[C@H](NC(=O)c1cc(COc3ccccc3)[nH]n1)C(=O)N2 102215367 WMXYKUBJJYJRQM-SFHVURJKSA-N 362.389 2.720 0 50 FFAA Cc1c(C(=O)N(CCC(N)=O)Cc2ccccc2)cnn1CCC(C)C 136938330 LTLYDPWLNFSEJY-UHFFFAOYSA-N 356.470 2.755 0 50 FFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)nc3sccn23)on1 320750858 AWLBUCSZSZCWME-VIFPVBQESA-N 372.859 2.871 0 50 FFAA CS(=O)(=O)c1ccc(-n2nc(C3CC3)nc2CCN2CCCCC2)cc1 65509239 UNRAWFWJYGIKAL-UHFFFAOYSA-N 374.510 2.577 0 50 FFAA CN1CCC([C@@H]2CCN(c3cc(Br)cnc3C(=N)O)C2)CC1 329956911 PVSSQZDRJLJLDC-GFCCVEGCSA-N 367.291 2.896 0 50 FFAA CN(C)c1ncnc2c1CCN(C(=O)c1cc3c(Cl)cccc3[nH]1)C2 72153076 QQBAEPMSNSZYGT-UHFFFAOYSA-N 355.829 2.876 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)cc(C)c1OCc1cccnc1 237691352 WXPJZCPIGAOYNQ-QGZVFWFLSA-N 354.406 2.967 0 50 FFAA OC[C@@H]1CCCCN1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 71750429 BKOJKIZBGOQLEI-ZDUSSCGKSA-N 363.845 2.779 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NCCc1nccc(-c2ccccc2)n1 218946542 NDCCZPONCFJDOF-UHFFFAOYSA-N 361.401 2.774 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCCN(c3ccccc3C)CC2)cc1 77458859 YWQFYBTVBAUPPG-FQEVSTJZSA-N 354.450 2.776 0 50 FFAA CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)CC2(O)CCCC2)CC1 371062480 JROMHMLRXWODGQ-SFHVURJKSA-N 350.503 2.711 0 50 FFAA CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088761 ONXUDMKLSJDCLG-UHFFFAOYSA-N 362.385 2.987 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 131007446 GFUPAFMFFKZMEX-SJLPKXTDSA-N 364.449 2.583 0 50 FFAA O=C(Nc1ccccc1)C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 72147400 AGXCBIGMZWIDEU-KRWDZBQOSA-N 355.413 2.545 0 50 FFAA CN(C)CCN(Cc1nn(C)c2cccc(Cl)c12)C[C@@H]1CCCO1 215611051 MALZCVSSFWTJBL-AWEZNQCLSA-N 350.894 2.769 0 50 FFAA CCc1nc(N2CCC(OCc3cccnc3)CC2)c2cnn(C)c2n1 72165269 QIVFIFGZJZNYSG-UHFFFAOYSA-N 352.442 2.506 0 50 FFAA CCCc1cc(N2CCN(Cc3ncccc3C)CC2)n2nccc2n1 72133803 WSIVWCBXZJKSNB-UHFFFAOYSA-N 350.470 2.707 0 50 FFAA O=C1CCCN1CC[C@@H]1CCCCN1S(=O)(=O)c1c(F)cccc1F 77489132 FIQZUCCDQZGPRV-ZDUSSCGKSA-N 372.437 2.521 0 50 FFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1C(=O)O 178276348 XAROIBRYTIVSRP-ZDUSSCGKSA-N 364.398 2.859 0 50 FFAA Cc1nc(NC2CCN(Cc3cccnc3)CC2)cc([C@@H]2CCOC2)n1 426358130 ANZNFWOELSHAEA-QGZVFWFLSA-N 353.470 2.760 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 222748365 BVGOIZNQKCEBCJ-CQSZACIVSA-N 352.438 2.783 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 426510545 AFTKXIRROORYLU-HXUWFJFHSA-N 368.433 2.659 0 50 FFAA Cc1cc(C(=O)NCc2noc([C@H]3CCCO3)n2)c2ccc(F)cc2n1 82083557 GXPZCPSWFVAWEP-OAHLLOKOSA-N 356.357 2.847 0 50 FFAA Cn1ccnc1C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 91288641 JMPKYJKKEDQNKT-UHFFFAOYSA-N 360.889 2.612 0 50 FFAA O=C(CCc1nc(-c2ccncc2)no1)N1CC[C@@H](Oc2ccccc2)C1 426371091 ONNZHNARMXDPQI-QGZVFWFLSA-N 364.405 2.744 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)on1 95392262 WFMCEUBDJDIBKT-QXAKKESOSA-N 373.403 2.964 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@@H](c1cccc(OC)c1)CNC2=O 95527855 MXABDCHECDXTDH-CQSZACIVSA-N 365.437 2.762 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1c(C)nn(C(C)C)c1C)CC2 426640545 SOSOEGYPSJOTBH-YSIASYRMSA-N 365.518 2.602 0 50 FFAA CCn1cc(CN2CCC3(CC2)CCN(Cc2ccoc2)C[C@H]3CO)cn1 97713537 VVGVLEUYLQRFPK-FQEVSTJZSA-N 372.513 2.593 0 50 FFAA CCC[C@@H]1CN(CCC(=O)NCc2cccc(Cl)c2)C[C@H]1C(=O)O 91626158 SFLCSPRUINBUPD-GDBMZVCRSA-N 352.862 2.779 0 50 FFAA Cc1nn(CC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c(C)c1Cl 426409225 FKGUNIVROZSRLD-INIZCTEOSA-N 357.845 2.908 0 50 FFAA CCSc1ncc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cn1 91754699 ROHMRDJXAQFPOT-IBGZPJMESA-N 360.527 2.813 0 50 FFAA O[C@@H]1CN(Cc2ccccc2)CCN(Cc2c[nH]c(CC3CCCC3)n2)C1 95521292 BPZWFYKBJMHAJH-OAQYLSRUSA-N 368.525 2.821 0 50 FFAA Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1N1CCNC1=O 91807723 OTGYVXUZPZZMMQ-UHFFFAOYSA-N 370.497 2.615 0 50 FFAA CC(C)(CCC(=O)O)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 236836637 YOTBQWDHDGPBAH-OAHLLOKOSA-N 350.434 2.797 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CCC(Cn3cc(C)cn3)CC1)C2 91830418 XXWACIUNZRAZQV-SFHVURJKSA-N 369.465 2.690 0 50 FFAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1ccc(Cn2cccn2)o1 97694966 GATWZRVLOJNBPT-SFHVURJKSA-N 364.449 2.744 0 50 FFAA COCCN1CC[C@H](C(=O)N(Cc2ccccc2)Cc2scnc2C)C1 97819523 HCBGOIOWHPIHGM-SFHVURJKSA-N 373.522 2.949 0 50 FFAA CC(C)Oc1cccc(CC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c1 299745824 SRJXOQROVQDHON-ZIAGYGMSSA-N 359.344 2.738 0 50 FFAA COc1ccc(-c2nc(Cn3ccn4nc(C)cc4c3=O)c(C)o2)cc1 263617757 PMCAIVROJULBJQ-UHFFFAOYSA-N 350.378 2.825 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1)c1cnn(C)c1 534632402 GGVIIMWVXBXQCC-QGZVFWFLSA-N 364.453 2.824 0 50 FFAA CN1CCc2[nH]nc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)c2C1 299789104 VYRJNFVQKNKGPM-CYBMUJFWSA-N 365.437 2.559 0 50 FFAA Cc1nnnn1-c1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 299765052 ZSNPIUTWILHXSK-UHFFFAOYSA-N 368.445 2.655 0 50 FFAA CCc1nnc(-c2ccc(OC)c(NC(=O)NCc3snnc3C)c2)o1 299769798 QGULWPXNIJHICV-UHFFFAOYSA-N 374.426 2.789 0 50 FFAA COc1ccc2c(c1)c(C(=O)NCCCNc1ccc(C)cn1)c(C)n2C 648807808 UNXKUCLXOUWILW-UHFFFAOYSA-N 366.465 3.431 0 50 FFAA O=C(NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2)c1cccc(Cl)c1 299772489 ZHRWQJBDNLTAIO-UHFFFAOYSA-N 372.856 2.609 0 50 FFAA C[C@H](NC(=O)c1ccc2nc(CO)[nH]c2c1)c1ccccc1-n1cccn1 828809027 XNIHMEBYBGMSJD-ZDUSSCGKSA-N 361.405 2.732 0 50 FFAA CCOCc1ccccc1CNC(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C 1875301540 MHUZSKFUDXHMRN-UONOGXRCSA-N 357.454 2.909 0 50 FFAA CC(C)c1ccccc1OC[C@H](O)CNC(=O)NCC[C@@H]1CCO[C@@H]1C 1875309681 IJMXPAZVCOZJJC-BRWVUGGUSA-N 364.486 2.664 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)c2ccc3nccnc3c2)c(F)c1 1875385927 FRFXMSRWROBIDI-UHFFFAOYSA-N 364.380 2.501 0 50 FFAA Cc1cc2[nH]c(C(=O)N3CC[C@@H](C4CC4)[C@H]3c3nnc(O)n3C)cc2o1 1875401832 UAUGVVPJULABAU-NHYWBVRUSA-N 355.398 2.517 0 50 FFAA CC(C)c1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)nc(N)n1 952977476 IKGIDRHUVVAGBV-AWEZNQCLSA-N 371.460 2.573 0 50 FFAA O=C(NCC[C@H]1CCCS1(=O)=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 881899725 DICDBMVZILWRCG-OLZOCXBDSA-N 367.364 2.800 0 50 FFAA CC(=O)N1C[C@H](Nc2nccc(C(F)(F)F)n2)CC[C@H]1C(F)(F)F 886056933 WUXDQMOAPANQAL-SCZZXKLOSA-N 356.270 2.849 0 50 FFAA O=C(COCc1ccccc1)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565525277 DSALAKHEYNIJAD-OALUTQOASA-N 359.397 2.695 0 50 FFAA COc1cc2nc(N(C)C[C@H](O)c3ccc(F)cc3)nc(N)c2cc1OC 170625656 JHCGMAJEZYHSRM-HNNXBMFYSA-N 372.400 2.538 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccn2)CC1 192466133 VVTOORONNKRQFR-UHFFFAOYSA-N 356.426 2.601 0 50 FFAA Cc1cc(C)n(C2CN(S(=O)(=O)Cc3ccc(Cl)cc3F)C2)n1 1506407380 VJNDKSUHMFJQCB-UHFFFAOYSA-N 357.838 2.679 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)COc1ccc(Cl)cc1C)C2 213448595 VCTKGVCVOKJNNM-ZBFHGGJFSA-N 364.873 2.887 0 50 FFAA CCOC(=O)[C@H]1NN=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 5205458 IZHJEBWJDHBXHA-WMZOPIPTSA-N 352.390 2.553 0 50 FFAA COc1cccc(N2C(=O)CN(Cc3ccc(OC)cc3OC)C[C@@H]2C)c1 12149070 XRMOUIKFOBWSPS-HNNXBMFYSA-N 370.449 2.950 0 50 FFAA O=C(NCc1cccnc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 13680611 RWWPLWKNGNKSQM-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccoc3)CC2)C1=O 14755848 QBVKKZBHFXEGFR-UHFFFAOYSA-N 353.422 2.708 0 50 FFAA O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 19789800 CUXULQVPZZCWTB-GFCCVEGCSA-N 362.794 2.857 0 50 FFAA O=C1N/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1Cc1ccc(F)cc1 4465712 RVUVTYFUIMMDLH-OQLLNIDSSA-N 354.337 2.690 0 50 FFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1c3c(nc4onc(C)c14)CCC3)CCC2 1857677329 WOJJTOXOBDXLQC-AWEZNQCLSA-N 365.437 2.869 0 50 FFAA CCOCCn1nc(C)nc1C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857677727 BFWNDFOLWWMILJ-OAHLLOKOSA-N 370.457 2.618 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N(C)Cc2cc(-c3ccncc3)no2)CC[C@H]1N 1857725770 MALOQRLSHDINSG-KVSKMBFKSA-N 372.469 2.618 0 50 FFAA O=C(c1cccc(Cl)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 219968854 DSRCILSOYKZOFP-QAPCUYQASA-N 369.852 2.998 0 50 FFAA CC(C)C[C@@H]1C(O)=NCCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 330361387 YFUOKJYREMTIDR-MRXNPFEDSA-N 366.483 2.777 0 50 FFAA COc1ccccc1C(=O)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435566766 OUXVWTDMLQMLHI-MRXNPFEDSA-N 357.479 2.936 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3C[C@H](C(=O)O)[C@@H](c4ncc[nH]4)C3)oc2c1 248327978 BBJGSRCZJBXXEI-KBPBESRZSA-N 353.378 2.713 0 50 FFAA Cc1cc(C)cc(-c2cc(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)n[nH]2)c1 367047204 GIRCPMJWJPVKAP-CRAIPNDOSA-N 365.437 3.143 0 50 FFAA CCn1cnnc1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 264481924 XYEFZNQFPJCRHX-IBGZPJMESA-N 367.497 2.669 0 50 FFAA Cc1ncc(CN(C)S(=O)(=O)c2cc(C(=O)O)cc(C)c2C)s1 391008629 JGEQSDUXNBLLFM-UHFFFAOYSA-N 354.453 2.587 0 50 FFAA CCCN(CCC)Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1 1704311800 CVOQESQLDREREV-CTNGQTDRSA-N 373.541 2.711 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)c2c(C(F)(F)F)cnn2C)ccc1F 857463127 VTTDUUMPPYPEEC-UHFFFAOYSA-N 356.279 2.955 0 50 FFAA CCOC(=O)c1c(NC(=O)c2ccc(-n3cnnn3)cc2)sc(C)c1C 1089477 VQDLQFICYLSKHY-UHFFFAOYSA-N 371.422 2.770 0 50 FFAA C=CC(=O)N(CC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 900587767 KLTDMPAMLJPORX-UHFFFAOYSA-N 355.442 2.538 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(F)ccc2F)C1=O 2356149237 PZSUMQVIBVYYDV-QGZVFWFLSA-N 372.437 2.521 0 50 FFAA C[C@H]1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[C@H](C)C2)C1 2753918 MTWNAIPUXJTKCG-RYUDHWBXSA-N 352.372 2.774 0 50 FFAA CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccccc1 2866856 PRXDZPMJQRBINO-UHFFFAOYSA-N 358.463 2.825 0 50 FFAA O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 4731672 FLWOBAJACXYPRU-INIZCTEOSA-N 367.424 2.527 0 50 FFAA COc1ccc(-c2noc(CNC(=O)c3cc(OC)cc(OC)c3)n2)cc1 4866400 LJTLNTPRUAYWAH-UHFFFAOYSA-N 369.377 2.692 0 50 FFAA Cn1cc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cn1 12589197 YMDULJNYXRNZKN-UHFFFAOYSA-N 374.492 2.688 0 50 FFAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1cccc(-n2nnnc2C)c1 55053641 DJIBRQMXUKBDSZ-AWEZNQCLSA-N 350.426 2.807 0 50 FFAA COc1cccc(CN2CCC[C@@H](NCc3cnc(SC)nc3)C2)c1 20601098 RZNZZQRLDTWHDM-QGZVFWFLSA-N 358.511 2.961 0 50 FFAA CCc1c(C)[nH]c2c(-c3ccc(OC)c(OC)c3)c(COC)nn2c1=O 9261131 JTRZJGRPBGCHMZ-UHFFFAOYSA-N 357.410 2.724 0 50 FFAA CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@H]1CCc2ccccc2C1 114281997 BOCVMDSNDMPKED-FQEVSTJZSA-N 373.456 2.926 0 50 FFAA CCCN1CCC[C@@H]1c1ccc(C(=O)NCCSc2c[nH]nn2)s1 23250452 CQYVESSGWXEZJD-GFCCVEGCSA-N 365.528 2.935 0 50 FFAA CCOC(=O)c1cn(CCc2c[nH]cn2)cc(Oc2ccccc2)c1=O 55108635 SDMKISBYHZHVNF-UHFFFAOYSA-N 353.378 2.783 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1CC1CCCCC1 20452682 UOTMUUYUDTVODY-HXUWFJFHSA-N 374.525 2.907 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1c(C)c2cccc(C)c2n1C)C(=O)O 67690750 FVLQAIKEMUYCDQ-HNNXBMFYSA-N 354.410 2.691 0 50 FFAA Cc1ccc2oc(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2c1 23127127 MNYUOUQSBGWISX-WBVHZDCISA-N 362.429 2.882 0 50 FFAA biogenic CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 67817185 KUKOYLCXMVOVHK-MRXNPFEDSA-N 362.437 2.844 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccnc2)CC1 24611578 WETYNSWDMYUUKW-UHFFFAOYSA-N 373.478 2.571 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)NC[C@@H]4CCOC4)co3)ccc2s1 67934730 WBTOMAWYALNERC-LBPRGKRZSA-N 373.434 2.938 0 50 FFAA Cc1nn2cc(CCNC(=O)c3ccc([C@@H]4CCCN4)s3)nc2s1 20166760 ZCYUVFMOAAKRTF-LBPRGKRZSA-N 361.496 2.558 0 50 FFAA CN1C(=O)C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 20427263 CATVORFVDKUJLA-HNAYVOBHSA-N 352.390 2.616 0 50 FFAA COc1nc2c(cc1C(=O)N1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 67754907 RSXCMLMGJAPKKH-GOSISDBHSA-N 356.397 2.932 0 50 FFAA Cc1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c2ccccc2n1 172414828 PSTPGPAIEBAOQA-QGZVFWFLSA-N 353.466 2.614 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 328591266 VKNSGDRTTQJUJK-PLWAMTLXSA-N 372.509 2.606 0 50 FFAA Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 32094006 OELLYYZJMUSATH-GFCCVEGCSA-N 355.785 2.804 0 50 FFAA COCc1nc(N[C@@H](C)c2cc(OC)ccc2OC)c2cnn(C)c2n1 72128227 GWPHNBCDGPTTBI-NSHDSACASA-N 357.414 2.700 0 50 FFAA COc1cc2c(cc1CNC(=O)CCNC(=O)c1cccs1)O[C@H](C)C2 153284099 LFTFUQZMRGEEQT-GFCCVEGCSA-N 374.462 2.516 0 50 FFAA O=C(c1ccccc1Cl)N1CCN(c2ccnc(N3CCCC3)n2)CC1 77137450 XJLSEBCOOZPTMF-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1C 38528230 DMGVUPAKNKQYIT-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC([C@@H](O)Cc2ccccc2)CC1 72422306 XAZLALOTEBWLIA-NRFANRHFSA-N 360.542 2.660 0 50 FFAA CCc1cc(N2CCC(O)(c3cccnc3)CC2)n2nc(C)c(C)c2n1 72408327 YVJZQUPQJHOOIU-UHFFFAOYSA-N 351.454 2.792 0 50 FFAA C[S@@](=O)C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1 173139234 XLJTWNZOWIJQJB-IZHWHUGBSA-N 353.390 2.580 0 50 FFAA Cc1nn(CC(=O)N[C@@H](C)C2=CCCCC2)c(=O)n1CCc1ccccc1 77437797 MXUHYQRJEGSDGM-INIZCTEOSA-N 368.481 2.601 0 50 FFAA c1cc2c[nH]nc2cc1CN[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 377623183 NEDJSFLWXMPSNR-MRXNPFEDSA-N 352.442 2.578 0 50 FFAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cc(C)no2)C3)cc1 215710345 RZTREVCNHWFICZ-UHFFFAOYSA-N 350.378 2.528 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)N1CCC(Oc2cccc(C)c2)CC1 77438957 QHFBEYVBLVJHED-SFHVURJKSA-N 364.511 2.623 0 50 FFAA CCC(CC)NC(=O)[C@H](C)N1CCCN(Cc2nccn2C(C)C)CC1 370786985 FLRJPBDOFMWDJE-KRWDZBQOSA-N 363.550 2.665 0 50 FFAA O=C(NCCCc1ccccn1)c1ccc2sc3c(c2c1)CCNC3=O 219240557 VEGHICWFCRBABS-UHFFFAOYSA-N 365.458 2.945 0 50 FFAA CCCC[C@H]1CN(CCNC(=O)c2ccc(=O)[nH]c2)Cc2ccccc2O1 14882636 BATUEXPPTUGGEO-SFHVURJKSA-N 369.465 2.558 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCc2cccc3ccccc23)C1 72446809 UCQVNAGMGYIDHM-GOSISDBHSA-N 374.506 2.560 0 50 FFAA Cc1nc2c(c(NC[C@@H]3CCOC3)n1)CCN(Cc1cccs1)CC2 72467918 RKDLDGJRWPYMKR-HNNXBMFYSA-N 358.511 2.896 0 50 FFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccnn2C)cc1 215288828 ITSPYXORWZTOTL-LJQANCHMSA-N 357.454 2.569 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 72422059 BOSYTYSSWRAKMJ-UHFFFAOYSA-N 366.461 2.879 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cnn3c2CCCC3)C1 77341532 WLZYJABLWKKDEO-QGZVFWFLSA-N 351.450 2.883 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1O 77428829 MRIVSHZGLFMQJP-NRFANRHFSA-N 356.466 2.955 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(C)CC12CCCCC2 176247779 YARPNALUYSTDLV-UHFFFAOYSA-N 371.510 2.999 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1C 17072787 DKVVUFFWJXGZJD-UHFFFAOYSA-N 350.509 2.871 0 50 FFAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1c(F)cccc1Cl)C2 220042862 RLNIUGYVUSTWEL-GOSISDBHSA-N 366.868 2.677 0 50 FFAA O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cnc2ccccc2n1 177128689 NKYAXNLFTKJHGP-KRWDZBQOSA-N 374.444 2.593 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 426612929 SIIGZFFCANQOKH-IBGZPJMESA-N 371.437 2.543 0 50 FFAA O=C(NC[C@]1(O)CCOC1)c1oc2ccccc2c1COc1ccccc1 178935886 KHSKCMYUFJQNDM-OAQYLSRUSA-N 367.401 2.893 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cn4c(C)cccc4n3)CC2=O)cc1 82108533 ZBXZIVXLIJZEMH-INIZCTEOSA-N 362.433 2.829 0 50 FFAA COCCc1ncc(-c2c(-c3ccccc3)ncn2CCC(=O)O)cn1 91468346 SPRPZTSZQHTFFH-UHFFFAOYSA-N 352.394 2.671 0 50 FFAA C[C@@H](C(=O)N1CCCCC1)N1CCn2nc(Cc3ccccc3)cc2C1 97785157 PZQSIRDXSWFLTL-KRWDZBQOSA-N 352.482 2.691 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)N[C@@H]2COC3(CCCCC3)C2)c1 96132294 XWMWNZNXDXFBOY-KRWDZBQOSA-N 374.485 2.800 0 50 FFAA Cc1nc2cc(C(=O)N3C[C@H]4CC[C@@H]3CN(C(=O)N(C)C)C4)ccc2s1 91289408 IPZMQKFGQBJJCC-DZGCQCFKSA-N 372.494 2.823 0 50 FFAA O=C(Nc1ccc2c(c1)COC2)NC1CCN(Cc2ccccn2)CC1 92162341 ZMXGINMBBLMNKE-UHFFFAOYSA-N 352.438 2.898 0 50 FFAA O=C(N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1)C1CCC1 91444621 WTEYRLKKGOQLLQ-OLZOCXBDSA-N 354.376 2.627 0 50 FFAA CCc1nc(C)sc1CNC(=O)[C@H]1CCCN(C2CCOCC2)C1 95356083 CXQGUXKFFKHEBQ-AWEZNQCLSA-N 351.516 2.521 0 50 FFAA CSCC[C@@H](O)c1nc(CC2CCN(C)CC2)nn1CC(F)(F)F 96132642 CEYJLNNTWVIYRC-GFCCVEGCSA-N 366.453 2.511 0 50 FFAA C[C@@]12CCN(C(=O)Cc3ccnc(O)c3Br)C[C@@H]1C2(F)F 294823507 VSDSVQHIEFWXEG-TVQRCGJNSA-N 361.186 2.596 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N[C@@H](C)c1ccccc1-n1cccn1 95357624 VAXZKGSTAOKIFF-ZDUSSCGKSA-N 350.426 2.528 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91859917 CYQPCRVWDORUGW-LJQANCHMSA-N 367.405 2.684 0 50 FFAA CCOC(=O)CSc1nc2ccccc2nc1SCC(=O)OCC 334163330 PBMRGWKVJHARPM-UHFFFAOYSA-N 366.464 2.940 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC(Oc2ccccc2Cl)C1 92019552 RTBIRZKUIUCCBJ-CYBMUJFWSA-N 362.857 2.721 0 50 FFAA Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ncoc3C)C2)o1 95518312 SJGWWSBKFMKPAB-OAHLLOKOSA-N 359.426 2.833 0 50 FFAA COc1ccc2c(C)c(C(=O)NCCc3noc([C@H]4CCCO4)n3)oc2c1 91305521 PMUWQEOIRUQVNY-CQSZACIVSA-N 371.393 2.957 0 50 FFAA CC(C)(C)c1ccc2oc(CNC(=O)CCC3=NNC(=O)CC3)nc2c1 243901029 AYPQMHMZNQEXRB-UHFFFAOYSA-N 356.426 2.788 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)NC1CCN(c2ccccc2F)CC1 244828493 TWZJBUZPTOUHEO-NRFANRHFSA-N 367.468 2.967 0 50 FFAA CCc1cc(=O)c2cc(NS(=O)(=O)c3cn(C(C)C)cn3)ccc2[nH]1 182497370 POCVFLDJKDJFDS-UHFFFAOYSA-N 360.439 2.669 0 50 FFAA C[C@]12C(=O)O[C@@]34CCC[C@H]3[C@H]3[C@@H]([C@H]5[C@H]1[C@H]1CCC[C@@]16OC(=O)[C@]3(C)[C@@H]56)[C@H]42 253596014 MAQOZODVFUNEDC-NWQNASRSSA-N 354.446 2.942 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c(Cl)cc1F 535142991 OYIAOZONCLFXCK-NSHDSACASA-N 361.822 2.510 0 50 FFAA Cc1nn(Cc2ccccc2)c2[nH]c(-c3ccccc3OCC(N)=O)nc12 32534892 FESXLZHULMLBGB-UHFFFAOYSA-N 361.405 2.647 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NCCN2CCC(CO)CC2)c1 299758775 PIXUKOUZZHAWOW-UHFFFAOYSA-N 368.477 2.796 0 50 FFAA CCOc1ccc(CCCNC(=O)N2CC[C@@H](N)C[C@H]2C)cc1OCC 823358217 IGXQOBVHLWXLLS-NVXWUHKLSA-N 363.502 2.938 0 50 FFAA COc1c(N)ccnc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 584891314 PNXACBGNXNHAHH-AWEZNQCLSA-N 355.438 2.886 0 50 FFAA COC(=O)[C@@H](OC(=O)c1nnn2ccccc12)c1cccc2ccccc12 1875328442 RVOXAMJNYJQXOP-SFHVURJKSA-N 361.357 2.954 0 50 FFAA CN(C)c1cc(C(=O)N[C@H]2[C@H]3CC[C@@H]2C[C@H](CO)C3)c2ccccc2n1 1875358461 WYWCDSKTYUJLNJ-DFLPHWIXSA-N 353.466 2.828 0 50 FFAA Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3cccnc3C)C2)c1F 1875303022 ROXHUTQYUWOUPW-QGZVFWFLSA-N 369.440 2.801 0 50 FFAA Cc1nn(C2CCC2)cc1C(=O)NCc1nc(Cc2ccccc2)no1 1875288806 DUHPAPZEIHEPQW-UHFFFAOYSA-N 351.410 2.820 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 952869382 IDGZUTRYIGPNCP-UHFFFAOYSA-N 364.409 2.818 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(C(F)F)ncn2)CC1 891898416 HIQATYXCXQMSAF-UHFFFAOYSA-N 371.391 2.787 0 50 FFAA Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)c1 272614327 SFLQYWFTVXDLBU-NWDGAFQWSA-N 361.305 2.505 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2c[nH]nc2-c2cccc(C)c2)C[C@@H]1C(C)C 1565510109 YFGBXSXSUDCAFK-MSOLQXFVSA-N 354.454 2.618 0 50 FFAA COc1ccc(Cl)cc1NCC(=O)N1CC(=O)N(C)[C@H]1c1ccccc1 170606167 TTYMPRUKADXEBC-LJQANCHMSA-N 373.840 2.760 0 50 FFAA CC(C)c1noc(-c2ccc(NC(=O)N3CCC[C@@H]4C(=O)NC[C@H]43)cc2)n1 170608482 NUPAHEGXSGPOLU-LSDHHAIUSA-N 369.425 2.602 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 188791328 KRMIBNNUCUUMQO-ZDUSSCGKSA-N 365.524 2.540 0 50 FFAA CN1CCN(c2ccc(NC(=O)[C@H]3CCCc4c(O)cccc43)cn2)CC1 190053640 OIJDNLVMHVVXIV-SFHVURJKSA-N 366.465 2.598 0 50 FFAA O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1ccn(CC(F)F)n1 194595036 LXYDDBYVYXUNND-UHFFFAOYSA-N 372.379 2.529 0 50 FFAA Fc1cccc(-c2nnc(CN3CCCN(Cc4cccnc4)CC3)o2)c1 1529095243 QASNLBQNGYKUBS-UHFFFAOYSA-N 367.428 2.979 0 50 FFAA COc1ccnc(C(=O)N(C(C)C)C(C)C)c1I 136347987 CHZGROTWINOVSD-UHFFFAOYSA-N 362.211 2.954 0 50 FFAA Cn1nccc1C(=O)N1CCCN(Cc2csc3ccccc23)CC1 1772811043 NHLNYYLFDHVWBZ-UHFFFAOYSA-N 354.479 2.983 0 50 FFAA Cc1cnc(CNC(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)cn1 1772810337 KKQZFTBQEUPTLS-CQSZACIVSA-N 365.462 2.725 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCCN(CCCCCF)CC2)c1 1772813609 JOBIXONVESBNAW-UHFFFAOYSA-N 352.450 2.992 0 50 FFAA Cc1cc(C)n2nc(C)c(-c3nc(CC(C)C)nn3-c3ccnn3C)c2n1 1772807914 WBDQLKCYBRBDQE-UHFFFAOYSA-N 364.457 2.834 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC(C2(O)CC2)CC1 1772818666 JFHWSQAGUNIBQU-UHFFFAOYSA-N 359.401 2.572 0 50 FFAA O=C([C@H]1CC12CC2)N1CCCN(Cc2cnc(-c3ccccc3)nc2)CC1 1775980550 ZFMYGXMHTJHDHM-LJQANCHMSA-N 362.477 2.978 0 50 FFAA CCc1ccc(N2C(=O)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 5069376 MIMLSMAFVOWVRR-ZWKOTPCHSA-N 356.447 2.861 0 50 FFAA CSCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11878477 FZUAJXAFQORVOD-CYBMUJFWSA-N 374.428 2.923 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCO[C@H](Cc2cccc(F)c2)C1 12307171 YQINBUAJTNCKPS-MRXNPFEDSA-N 353.397 2.715 0 50 FFAA CCOc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 12921510 QJOJEXHEKLCYRF-UHFFFAOYSA-N 354.450 2.848 0 50 FFAA COc1ccc(Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1F 169775261 PZUJWEAPPDWXTH-UHFFFAOYSA-N 368.408 2.950 0 50 FFAA COc1ccccc1C=CC=c1sc2nc(-c3ccco3)nn2c1=O 1857528535 ZMLSOAYZZWVHFQ-UHFFFAOYSA-N 351.387 2.632 0 50 FFAA O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857689886 NUHIVMMIADZGSZ-HXUWFJFHSA-N 372.371 2.854 0 50 FFAA COC(=O)c1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 780848 OARJOABNPKVZGL-KRWDZBQOSA-N 367.405 2.851 0 50 FFAA O=C([C@@H]1CCC[C@@H]2CCCC[C@H]21)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329098430 LXCBMZMAICFORX-BSDSXHPESA-N 367.497 3.349 0 50 FFAA O=C([C@@H]1CCCc2c(O)cccc21)N1CCN(c2ccccc2)C(=O)C1 330008974 HBOVDAIINVDZMF-GOSISDBHSA-N 350.418 2.688 0 50 FFAA CCn1ccnc1CN(C(=O)Cc1ccccc1F)[C@H]1CC12CCNCC2 261835629 LEFBTAOHNJXGGL-SFHVURJKSA-N 370.472 2.756 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 264546346 RCOKAAYLCPQQPT-MRXNPFEDSA-N 365.905 2.591 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)Cc3cccc4ccccc34)C[C@@H]12 1704344374 MRQGMPOMRIMUEM-IFMALSPDSA-N 352.478 2.688 0 50 FFAA CC1=CC2(CCN(c3c(C(=O)O)cnc4c3c(C)nn4C)CC2)OCC1 1704326139 YHZHNLIPZGANJG-UHFFFAOYSA-N 356.426 2.681 0 50 FFAA CC(C)c1ccc(NC(=O)CN2CCCS(=O)(=O)C[C@H]2C2CC2)cc1 933923733 TZRYBROMRUWYMQ-SFHVURJKSA-N 364.511 2.648 0 50 FFAA CCOc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1 709892 YALAXCICQTUZDA-QGZVFWFLSA-N 352.434 2.797 0 50 FFAA c1cncc(CCC2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 2325767398 GTKXGJHMIIIESW-UHFFFAOYSA-N 353.470 2.557 0 50 FFAA COCc1nn[nH]c1C(=O)Nc1cccc([C@@H](C)Sc2nccn2C)c1 2325802909 DVZZRXVTKWWDLI-LLVKDONJSA-N 372.454 2.790 0 50 FFAA Cc1cc(-c2nn[nH]n2)ccc1CN1C[C@H](N2CCCC2)C[C@@H]1C(C)C 2325826192 SSGCKPCJUYCKEX-RTBURBONSA-N 354.502 2.870 0 50 FFAA Fc1cccc(N2CCC[C@@H](Oc3nccc(N4CCOCC4)n3)C2)c1 2325900077 JZUQPSCOLDTLCW-QGZVFWFLSA-N 358.417 2.500 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)cc2)cc1 845611 KGBKJXHEOWWTSA-KRWDZBQOSA-N 353.378 2.667 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 1146238 WNBAGPKBOAAJGC-CQSZACIVSA-N 362.451 2.797 0 50 FFAA C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1147635 JBIPNUADGZHEOW-NSHDSACASA-N 371.776 2.751 0 50 FFAA COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2)cc(C(=O)OC)c1 1192472 FPJPWNLWLUSQKZ-GFCCVEGCSA-N 357.362 2.666 0 50 FFAA COC(=O)c1cc(NC(=O)c2cccc(N(C)C)c2)cc(C(=O)OC)c1 1206752 ASIQCNQGOCGZND-UHFFFAOYSA-N 356.378 2.578 0 50 FFAA Cc1cccn2ncc(CN3CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C3)c12 2356144763 LCOGZNCDXMILCV-YLJYHZDGSA-N 359.470 2.717 0 50 FFAA Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1Cl 3359251 AXZBVTMAYANMOX-HNNXBMFYSA-N 351.834 2.504 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(Cc2cccc(-n3cccn3)c2)C1 2356159216 QZLXEJJAHCCIRO-OAQYLSRUSA-N 360.465 2.555 0 50 FFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 4113670 KRKODTDPSKONGC-FUHWJXTLSA-N 374.437 2.826 0 50 FFAA biogenic O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1 6224277 WSVOUQBALAFRLS-UHFFFAOYSA-N 351.237 2.675 0 50 FFAA CCc1nnc(SCC(=O)Nc2nnc(C)s2)n1-c1ccccc1 6701846 VVSCAPKHNHSZIM-UHFFFAOYSA-N 360.468 2.720 0 50 FFAA Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCCCC1 7604441 WBDFFLZNEQPNRT-UHFFFAOYSA-N 362.451 2.693 0 50 FFAA CCOCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1 9340892 AMCFYNNIIXLPDM-UHFFFAOYSA-N 374.466 2.566 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)CCSc1ccc2c(c1)OCCO2 55344476 ZPSKZKOZGHAGBZ-AWEZNQCLSA-N 351.468 2.968 0 50 FFAA COc1cccc(C(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1OC 101266376 QKOBNPCDVPWMNC-ULQDDVLXSA-N 356.466 2.674 0 50 FFAA CCN(CC)C(=O)C(=O)Nc1cc(C(=O)N(CC)CC)ccc1Cl 55183364 UHQKROPDJUNBAM-UHFFFAOYSA-N 353.850 2.629 0 50 FFAA O=c1cc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)[nH]c2ncnn12 102815471 FTJCVQCCLYFIMM-CYBMUJFWSA-N 373.407 2.541 0 50 FFAA Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)c1nn(C)c2c1CCCC2 65371832 TYFZYSUJPLTRPN-LBPRGKRZSA-N 358.417 2.503 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(COc3ccccc3)[nH]n2)n1 67743530 HWXLECAACOQMKR-CQSZACIVSA-N 353.426 2.621 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2CCNC2)CCO3)s1 67785014 SIPCFTOMVIOSRT-CYBMUJFWSA-N 358.463 2.760 0 50 FFAA Fc1ccc(N2CCC(NCc3noc([C@@H]4CCCO4)n3)CC2)cc1F 1506397777 CTLYCCMRHMRCCY-INIZCTEOSA-N 364.396 2.958 0 50 FFAA O=C(c1ccccc1-n1cnnc1)N1CCOc2ccc(Cl)cc2C1 1506403560 CGVVTBPMPQUYPY-UHFFFAOYSA-N 354.797 2.956 0 50 FFAA S=C(NC[C@H]1CCCO1)N1CCN(Cc2ccccc2Cl)CC1 20363945 PFIKZTWOPCEMSN-OAHLLOKOSA-N 353.919 2.511 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 20166675 TVTIIWDAMPBCLS-QUCCMNQESA-N 360.417 2.673 0 50 FFAA Cc1cccn2c(CC(=O)NCc3cn[nH]c3-c3cccs3)cnc12 67490240 KZHKPRNIUIEEPW-UHFFFAOYSA-N 351.435 2.953 0 50 FFAA C[C@@H](NC(=O)CCn1c(S)nnc1-c1cccs1)C1CCOCC1 119626285 HWKBNEZXHICYLI-LLVKDONJSA-N 366.512 2.617 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(Cc2ccon2)C1 12307145 LQAUBIMSZFRXBD-HNNXBMFYSA-N 351.410 2.915 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)[C@@H](C)c2ccon2)n[nH]1 12306921 VOYLWZYKXPQYIZ-LBPRGKRZSA-N 364.409 2.937 0 50 FFAA O=C1CC2(CCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)CN1 65395423 HKBKQAOBUUDUJY-UHFFFAOYSA-N 359.323 2.979 0 50 FFAA CC(C)c1nnsc1CNC(=O)c1cc(COc2ccccc2)[nH]n1 67833741 TXNFMXMITVLXTB-UHFFFAOYSA-N 357.439 2.894 0 50 FFAA O=C(O)c1cc(Br)cc(S(=O)(=O)N2CCCCCC2)c1 33586192 FLSUSNUMQIUBRH-UHFFFAOYSA-N 362.245 2.712 0 50 FFAA O=C(c1ccccc1Cn1cncn1)N1CCO[C@H](c2ccccc2F)C1 173018315 NTTHQPMKXBMNJF-IBGZPJMESA-N 366.396 2.679 0 50 FFAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)CC[C@H]1CCCOC1 328638602 PGENWUIWMXHJPL-HZPDHXFCSA-N 351.516 2.596 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccccc3C)C[C@@H]2C)cc1O 77323682 OPQXFXNVVNERMP-AWEZNQCLSA-N 354.406 2.587 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1cncn1C)CC2 215655646 LCKKKONDUGUPLR-NRFANRHFSA-N 364.449 2.980 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H](O)c1ccc(F)cc1 72429909 KYGUEDJFAFBADT-SFHVURJKSA-N 357.360 2.843 0 50 FFAA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)O)cc1 330951244 ICAIORUMEFIHPC-RHSMWYFYSA-N 368.499 2.604 0 50 FFAA Cc1ccc(-c2nc(CC(=O)N3CCC(c4nc[nH]n4)CC3)cs2)o1 363362779 NCPLZDYHGACLAQ-UHFFFAOYSA-N 357.439 2.778 0 50 FFAA Cc1cc(=O)nc(SCC(=O)N2CCC[C@H](c3ccccc3)CC2)[nH]1 215757317 DRRSWSFLBONBGZ-INIZCTEOSA-N 357.479 2.967 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)c3cnn(C(C)C)c3)CC2=O)c1 77357433 KQRIPLIJJZWATF-UHFFFAOYSA-N 354.454 2.565 0 50 FFAA Cn1nc(CN2CC[C@](O)(CN3CCCCC3)C2)c2c(Cl)cccc21 77470757 XEIMVOQWOVIQBQ-IBGZPJMESA-N 362.905 2.649 0 50 FFAA Cc1ncnc(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)c1C 72408944 DYHDIIYJQPGMEE-KRWDZBQOSA-N 369.517 2.592 0 50 FFAA O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 71375610 KQKYGRDZQXVQHU-AZUAARDMSA-N 364.445 2.549 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71750350 PJEMVQPECHCVGI-INIZCTEOSA-N 369.812 2.734 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCC[C@H]1COc2ccccc2O1 215927798 QJQKMXKYRHZYKU-KRWDZBQOSA-N 363.417 2.896 0 50 FFAA Cc1nc(Cn2nnc(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)no1 284091950 LYQGTTZFKPCPLX-SECBINFHSA-N 372.454 2.765 0 50 FFAA Cc1c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)nnn1C1CCNCC1 237731111 FBSMLURACYNNJE-UHFFFAOYSA-N 371.460 2.703 0 50 FFAA O=C(O)[C@H]1CCCN1Cc1nc(-c2cc(Br)cs2)no1 238102398 XSAFYGBTUSIGGN-MRVPVSSYSA-N 358.217 2.610 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccon3)CC2)CN1Cc1ccc(Cl)cc1 77457743 SKNCXRBGNFJHIC-UHFFFAOYSA-N 373.840 2.983 0 50 FFAA CCC[C@H]1CCc2sc(C(=O)N3CCC(O)(C(=O)O)CC3)cc2C1 71764664 MEPLAKFLCFOJAK-LBPRGKRZSA-N 351.468 2.705 0 50 FFAA COc1ccc(C2(C(=O)NCc3cnn4cccnc34)CCCC2)cc1 215121494 DUWPNOXTBDDIKK-UHFFFAOYSA-N 350.422 2.866 0 50 FFAA O=C1N[C@H](CC(=O)N2CCCN(Cc3cccs3)CC2)c2ccccc21 77286649 WUPWHOUKXICCLL-GOSISDBHSA-N 369.490 2.657 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)ncc1Br 284509492 HWLJSHXVWONZLQ-BJJXKVORSA-N 355.276 2.909 0 50 FFAA COc1cc(C(=O)N2CCN(C(=O)c3ccncc3Cl)CC2)ccc1C 174234143 WWCUXJHHSHLGRP-UHFFFAOYSA-N 373.840 2.650 0 50 FFAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3nc(Cl)n[nH]3)[nH]c2c1 77518034 CUTPWTVPIVMRMD-CYBMUJFWSA-N 358.833 2.939 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1C 77375432 OMTPSLKRHCEDQU-HNNXBMFYSA-N 358.891 2.718 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1COC[C@@H]1N1CCCCC1 223192977 LFSVVGPZSLKEKF-HOTGVXAUSA-N 356.388 2.617 0 50 FFAA CC(C)c1nc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)cs1 223724471 NJKUCBZHWNUTPW-GDBMZVCRSA-N 361.467 2.766 0 50 FFAA Cc1cc(C)n(CCCC(=O)N(C)C[C@H]2Cc3ccccc3CN2C)n1 82156084 JYXRTSWXDJLHKM-HXUWFJFHSA-N 354.498 2.795 0 50 FFAA O=C(c1cc2ncc(CCO)cn2n1)N1CCCC[C@H]1c1ccc(F)cc1 426443404 PLCIJVFOCQQRQW-SFHVURJKSA-N 368.412 2.771 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3noc(-c4ccccc4)n3)C2)no1 426575082 VWNOPKDGYDTHOH-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)c3ccc(O)cn3)C2)CCC1=O 95504916 YVGHBDYYZJIRAC-FQEVSTJZSA-N 359.470 2.678 0 50 FFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c3ccc(C)cc23)C1 91563120 JNWZTNYTKZJCEI-FQEVSTJZSA-N 356.422 2.944 0 50 FFAA COCCN1CCN(C(=O)N[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 426528057 RVBWSPILRGJCRK-INIZCTEOSA-N 371.481 2.883 0 50 FFAA Cc1cc(=O)n(CC(=O)N2CCCC[C@@H]2CCc2ccccc2)nc1C 95365886 QHOGKJYLUQHGNI-LJQANCHMSA-N 353.466 2.874 0 50 FFAA Cc1cnc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cn1 91997258 BYGBFQMTKLXNTL-INIZCTEOSA-N 352.438 2.578 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)no1 97784755 CPRZBVBKNVZGJS-INIZCTEOSA-N 367.413 2.851 0 50 FFAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)Cn2ccnc2)C1 95504613 UTBCKQVCRCBOFJ-MRXNPFEDSA-N 372.444 2.988 0 50 FFAA Cc1ccc(C(=O)O)c(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)n1 91974027 WSDSKTLINSUKDF-DLBZAZTESA-N 365.433 2.716 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C)n(C)c4=O)CC3)nc12 95384139 QUZRBHGXBNHNRZ-UHFFFAOYSA-N 364.449 2.898 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)NCC3(CN4CCN(C)CC4)CC3)[nH]c12 91434407 ZWIJHUIGPVQBJR-UHFFFAOYSA-N 368.525 2.851 0 50 FFAA O=C(Cc1noc2ccccc12)N[C@@H]1CCCN(Cc2cccnc2)C1 243885604 AATPWSXHEJVCBD-MRXNPFEDSA-N 350.422 2.546 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 181725608 DKJJDYUHZIXODF-WFASDCNBSA-N 371.403 2.947 0 50 FFAA Cc1nc(CCNC(=O)c2c(C)oc3c2C(=O)CCC3)nc2c1CCC2 244716175 LJWKPGCFEIDSGP-UHFFFAOYSA-N 353.422 2.667 0 50 FFAA O=C(NCCc1noc(C2CCCC2)n1)c1ccc(N2CCCC2=O)cc1 244735013 NRLNMKCQEMBGFB-UHFFFAOYSA-N 368.437 2.827 0 50 FFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@H]1CCC[C@H]1[C@H]3[C@]42C(=O)OC 247815809 GCDQAWCNVSODCP-NTSUCWBGSA-N 356.462 2.903 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O 299750603 OASVCKBLNVIKIT-OEYIWLLWSA-N 374.462 2.734 0 50 FFAA Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1O 252572412 ZGBCWPJHBZSJOI-FUHIMQAGSA-N 353.418 2.878 0 50 FFAA C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(C)c2ccccc12 184782584 XQMMOHFETDOYIV-OAHLLOKOSA-N 365.433 2.859 0 50 FFAA Cc1cc(C)c2c(=NC(=O)CN3CCOc4ccccc4C3)[nH]sc2n1 1940195461 FMKKXGHFPNZICS-UHFFFAOYSA-N 368.462 2.563 0 50 FFAA CS[C@H](C)CCN1CCn2nc(CNC(=O)C3CCCC3)cc2C1 299757815 JTZULYFHSHHJDK-CQSZACIVSA-N 350.532 2.647 0 50 FFAA COc1cccc(CCNC(=O)c2cc(CC(C)C)nc(C)n2)c1OC 299789161 XOWFKVNZUAVHQM-UHFFFAOYSA-N 357.454 2.973 0 50 FFAA CN(C)c1ccc(CC(=O)NC[C@H](O)C23CC4CC(CC(C4)C2)C3)cc1 299777721 FBDREZCOXLANEZ-BUMILGAPSA-N 356.510 2.989 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(N4CCOC4=O)c3)C2)no1 299769935 PNYSJIDFHUHERP-ZDUSSCGKSA-N 371.397 2.746 0 50 FFAA CN(C)C(=O)c1ccc(NCC2(N3CCOCC3)CCCCCC2)nc1 823636820 XHHWMTCZNFZCMC-UHFFFAOYSA-N 360.502 2.621 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCN(Cc2cccs2)C1 827849483 LVNPJFKUJFNFKM-OAHLLOKOSA-N 358.463 2.800 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)[C@H]2COc3ccccc32)cc1OC 268941096 LQAZKYSMDPYLAM-GJZGRUSLSA-N 371.389 2.512 0 50 FFAA CN[C@@H](CC(C)(C)C)C(=O)NS(=O)(=O)C1CCC(C(F)(F)F)CC1 1875283246 KWAJTLWBYMJTPL-MCIGGMRASA-N 372.453 2.578 0 50 FFAA CNC(=O)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1 1875280964 IWMLYXXRDFIYEQ-UHFFFAOYSA-N 362.433 2.828 0 50 FFAA C=CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2CCc3cc(OC)ccc32)CC1 1875385822 CGICRFCSZBGSNN-IFXJQAMLSA-N 356.466 2.654 0 50 FFAA CCN1C[C@@H](c2nc(-c3cccc(F)c3)nn2C[C@@H]2CCCO2)CCC1=O 1875348837 DMUNZVFXDBXDKX-RDJZCZTQSA-N 372.444 2.989 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402321 FWARWEZLGANPJW-CWFSZBLJSA-N 366.465 2.643 0 50 FFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)nc(C)n1 1565511299 MPFBQTZLLOWFHZ-PBHICJAKSA-N 371.510 2.821 0 50 FFAA Cn1ncc2cc(S(=O)(=O)N3CCC[C@H]3Cc3ccc(F)cc3)cnc21 1320431617 UFVWEJKYQXMCTM-INIZCTEOSA-N 374.441 2.503 0 50 FFAA CCOc1cccc(N2CCN(c3ncnc4c(F)cccc34)CC2)n1 302877009 FSVSHMREFUNNCK-UHFFFAOYSA-N 353.401 2.889 0 50 FFAA CC(C)(C)n1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)nn1 191627121 DHJQTHSSBGVIHW-UHFFFAOYSA-N 363.849 2.775 0 50 FFAA Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1CCCCC(=O)N1 194027878 FZNKPRAYVRRAIW-LJQANCHMSA-N 351.450 2.978 0 50 FFAA Cc1csc2c(=O)n(CC(=O)Nc3ccnn3C3CCCC3)cnc12 195416295 NLVRCYBFQNMZRV-UHFFFAOYSA-N 357.439 2.717 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCC2(C)CC2)cc1OC 1529189979 CFYHCNNGLQVJNH-IEBWSBKVSA-N 363.454 2.545 0 50 FFAA O=C(c1ccc(Cl)cn1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704299635 PTRHGXYKFLAEPM-AUUYWEPGSA-N 367.836 2.959 0 50 FFAA CCc1noc(C)c1C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 1704338254 PHHFFWGYIVAPJG-FQEVSTJZSA-N 369.469 2.522 0 50 FFAA O=C(c1ccncc1Cl)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615739051 DYPNNMKOXRHOFU-YJBOKZPZSA-N 357.841 2.633 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CN(Cc4cccs4)C[C@]3(CO)C2)[nH]1 1772702782 DXSAIAZVYAESSA-UZLBHIALSA-N 374.554 2.740 0 50 FFAA COc1cccc(O[C@@H](C)C(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772804099 GGKIOTBMHBGZFC-AWEZNQCLSA-N 356.422 2.969 0 50 FFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Br)n1 11903405 NSQFATFUUVRFIV-UHFFFAOYSA-N 368.256 2.826 0 50 FFAA CN(C(=O)CCc1cnccn1)[C@H]1CCCN(CCc2ccccc2)C1 12050098 FRDDBZQNKWEMNT-FQEVSTJZSA-N 352.482 2.575 0 50 FFAA O=C(c1ccc[n+]([O-])c1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12073498 RBWJGBDYEVXGPY-OAQYLSRUSA-N 357.498 2.828 0 50 FFAA CSc1ncc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cn1 12199417 FBKAHQSJMJLTJB-INIZCTEOSA-N 360.458 2.905 0 50 FFAA O=C(COc1ccccc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13719984 BJLQHCHKLYLPSG-UHFFFAOYSA-N 363.417 2.531 0 50 FFAA COc1ccc(-c2noc(Cn3cc(Br)cn3)n2)cc1OC 16490162 XISWNARDDXJYOQ-UHFFFAOYSA-N 365.187 2.761 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 16579840 IXBOLHBYSKIIOB-UHFFFAOYSA-N 352.406 2.617 0 50 FFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3OC)CC2)c1 19570438 RPCJFQZNKGRZKO-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCC[C@H]1c1ccccn1 19884111 IGOBWIQGNYYKMH-KRWDZBQOSA-N 354.385 2.977 0 50 FFAA COc1cc(O)ccc1-c1nccn1-c1c(N2CCCC2)nn(C)c1C 1857685640 NKNCFIOTJIGCHQ-UHFFFAOYSA-N 353.426 2.896 0 50 FFAA CCN1CC[C@H](COc2ccc3c(c2)CCOC32CCN(C(C)=O)CC2)C1 1857697568 DQGWBXSBNKSMAJ-SFHVURJKSA-N 372.509 2.818 0 50 FFAA OCC[C@H]1CN2C[C@H](n3ccnc3-c3cc(F)ccc3Cl)C[C@H]2CO1 1857722437 VPTGOVAXMUQWFG-ILXRZTDVSA-N 365.836 2.739 0 50 FFAA Cc1nc(N2CCC[C@](O)(CN3CCC(Cc4ccccc4)CC3)C2)no1 1857739373 PGIUUEDGSNQXMK-NRFANRHFSA-N 370.497 2.664 0 50 FFAA C[C@@H]1C[C@@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 237565963 WDCHMVZECUHZPO-ZBFHGGJFSA-N 358.511 2.727 0 50 FFAA CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 241439995 NOFMNUSXFJINSE-ZANVPECISA-N 351.472 2.788 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)n(C)n1 242324322 ZACNDISXBUFHTO-MRXNPFEDSA-N 356.474 2.804 0 50 FFAA CCN(C[C@H](C)OC)C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F 462867561 JUCJYHDURBYLRQ-JTQLQIEISA-N 359.348 2.801 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(c1cc(C)nc(-c3ccccc3O)n1)C2 253478796 NDHJHVQCZABJGJ-IRXDYDNUSA-N 368.481 2.705 0 50 FFAA O=C(N1CC[C@@H](n2cncn2)C1)C1(c2ccc(Br)cc2)CC1 364491583 CYIKNHJKCVVTBX-CQSZACIVSA-N 361.243 2.546 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1C[C@H](C)N[C@@H](C)C1 154261933 FZHWTWRPDKVBTB-RYUDHWBXSA-N 355.276 2.599 0 50 FFAA C[C@@H](C(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccc(Cl)c(Cl)c1 266968001 VWGQTPZLHCOWFJ-NXEZZACHSA-N 350.267 2.742 0 50 FFAA O=C(C[C@@H]1OCCc2ccsc21)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2 2325751208 UFSBBFOWPFWAMX-DOTOQJQBSA-N 373.430 2.629 0 50 FFAA O=C(CCCc1ccc2c(c1)CC(=O)N2)NC[C@]1(F)CC[C@@H](CO)CC1 2325804031 QFOQWIJQEAGDQJ-GSXCWMCISA-N 362.445 2.511 0 50 FFAA Cc1cccc(C(=O)N[C@@H]2CCCN(c3nc4cccnc4s3)C2)n1 2325839119 JHQNLNGYAQPFMJ-CYBMUJFWSA-N 353.451 2.794 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3nc(C)cs3)C2)C1 2325888356 LCZSGDDAIDBXDO-JKSUJKDBSA-N 361.511 2.657 0 50 FFAA COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@H](O)C(C)(C)O)c1 907324698 TVUSDSOUUNOFAX-ZCNNSNEGSA-N 369.461 2.884 0 50 FFAA COc1ccc(OC)c([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 754301 IQTPIYGSTAUKJL-QFBILLFUSA-N 352.390 2.873 0 50 FFAA biogenic COc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1Cl 882516 HECUSXDKRWMPLT-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OC1CCCCC1 990582 LSVARLHTGAOUTG-UHFFFAOYSA-N 366.211 2.921 0 50 FFAA Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)cc1 1120926 PEMPDYDPGBWKIA-UHFFFAOYSA-N 353.827 2.670 0 50 FFAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C)c(OC)cc1C 1127425 NGIPVUBNTRAGLV-KRWDZBQOSA-N 361.511 2.973 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1Cl 1133791 JXSYBRSQULFZAW-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)C(=O)NC[C@H]1OCCc2ccccc21 2810513 SSCDKSJSYJVGGE-OXQOHEQNSA-N 366.461 2.554 0 50 FFAA Cc1ccc(CN(CC(N)=O)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 2849588 IISZBFZZVWDACL-UHFFFAOYSA-N 360.479 2.596 0 50 FFAA COC(=O)c1cc(NC(=S)Nc2ncccc2C)cc(C(=O)OC)c1 2886333 RDZUTURHYKOUDY-UHFFFAOYSA-N 359.407 2.772 0 50 FFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 4783211 WXAFAADAKBTLSM-WBVHZDCISA-N 366.483 2.757 0 50 FFAA CCOc1ccccc1NC(=O)c1nnn(-c2ccc(OC)cc2)c1N 4985006 JTOLYUVUISYVDJ-UHFFFAOYSA-N 353.382 2.509 0 50 FFAA CSc1nc(NC(=O)c2cccc(CN3C[C@H]4CC[C@H]3C4)c2)n(C)n1 101729782 OKQZNEMVOSAXIV-ZFWWWQNUSA-N 357.483 2.774 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)cc1 20998844 PYVSUPBFQUAICM-FQEVSTJZSA-N 371.481 2.615 0 50 FFAA CN1CCN(C)C2(CCN(C(=O)[C@@]3(c4cccs4)CC3(C)C)CC2)C1 67739779 SXXXRTPWRANJFA-FQEVSTJZSA-N 361.555 2.654 0 50 FFAA Cc1nc(CC(=O)NCc2noc(-c3c(F)cccc3F)n2)cs1 65528681 YSKKUFDEBVXLPT-UHFFFAOYSA-N 350.350 2.639 0 50 FFAA Cc1nonc1CC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 11709259 OUNMZQZVWVGECA-IBGZPJMESA-N 370.497 2.900 0 50 FFAA CCc1[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)c(C)c1C(=O)OC 229631699 NQTZUTZYTFATHV-MGPQQGTHSA-N 363.502 2.768 0 50 FFAA CC[C@@H](C(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 67726189 DNDMPZOIHOFGDC-KRWDZBQOSA-N 360.421 2.885 0 50 FFAA O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2s1 1424460 VUOWQYTWOGCKIZ-UHFFFAOYSA-N 357.416 2.939 0 50 FFAA CC(C)c1nnc(CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)o1 151794036 AZGPWTFISXJKAL-QGZVFWFLSA-N 360.801 2.740 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3ccncc3C(F)(F)F)CCO2)o1 282351680 YEQZJNYAUBTZQF-GFCCVEGCSA-N 370.331 2.821 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N(C)Cc2cccc3ncccc23)cc1 77337545 AWQVNUMWFQPYEO-UHFFFAOYSA-N 372.432 2.850 0 50 FFAA Cc1nc2c(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)cccc2[nH]1 71712265 XXPVUKUZXZULAN-SFHVURJKSA-N 368.481 2.980 0 50 FFAA COc1cc(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1OCC(F)(F)F 153680832 JGOMSCQKYJMLPO-CHWSQXEVSA-N 374.403 2.778 0 50 FFAA COC[C@@H](Cc1ccccc1)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 437579181 KXKYYZHFEGGIIY-QFBILLFUSA-N 353.466 2.915 0 50 FFAA CC(C)O[C@H]1C[C@H](NC(=O)c2cc(F)ccc2NS(C)(=O)=O)C1(C)C 332484810 VXDHSAITLQXOKN-GJZGRUSLSA-N 372.462 2.519 0 50 FFAA O=C1CCCCN1CC(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 11664873 GMAKOUMMYPUHJA-UHFFFAOYSA-N 372.856 2.627 0 50 FFAA COc1ccc(NC(=O)CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1Cl 363170135 CRGDYPGXBDDFQL-ZDUSSCGKSA-N 362.861 2.585 0 50 FFAA COc1ccc(NC(=O)CN2CCC(c3nccc(C)n3)CC2)cc1OC 363798988 POYNQPQYGNRHGL-UHFFFAOYSA-N 370.453 2.620 0 50 FFAA CCc1ncc(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)cn1 77485569 GKXIGXXDQOEHFO-IBGZPJMESA-N 353.466 2.885 0 50 FFAA COc1cc2c(cc1CNC(=O)c1cccc(-n3cccn3)c1)OCCO2 77322169 CPLSTXKJTVLICD-UHFFFAOYSA-N 365.389 2.582 0 50 FFAA O=C1NCCc2ccc(CNC(=O)[C@H]3C[C@]34CCCc3ccccc34)cc21 332855069 FZJPXVHJPFDUPV-OFNKIYASSA-N 360.457 2.883 0 50 FFAA CCOCCOc1ccccc1C(=O)N1CCC[C@@H](c2ccncn2)C1 219670498 PTRBWWILVFOISO-MRXNPFEDSA-N 355.438 2.912 0 50 FFAA CN(C)CCN1C[C@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O 72476832 IKUCGHIGXTVQLM-SFHVURJKSA-N 368.884 2.645 0 50 FFAA COCc1cccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 371614841 DQYSYLDYKCXVEZ-MRXNPFEDSA-N 356.426 2.534 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCN(Cc2cccnc2)CC1 72469574 XRXBQVJYLBVABS-UHFFFAOYSA-N 361.449 2.820 0 50 FFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@@H](C)N2CCCC2=O)s1 215230615 OAFFIQYUOGQTLJ-OAHLLOKOSA-N 357.479 2.991 0 50 FFAA CC(=O)N1C[C@@H](CCc2nc(-c3ccc(=O)n(C)c3)no2)c2ccccc21 377476667 USWFKEYSJQJTGD-CQSZACIVSA-N 364.405 2.518 0 50 FFAA Cc1nnc2n1C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)CC2 378539783 SMNPKTDVCOMKSB-HNNXBMFYSA-N 354.458 2.713 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2ccc3scnc3c2)cn1 219939909 ZKHGIYPQMZSBRO-WBVHZDCISA-N 369.446 2.966 0 50 FFAA COc1ccc2[nH]c(C(=O)Nc3ccc(NC(=O)CN(C)C)cc3)cc2c1 188177654 ANICDSQXJAFUGW-UHFFFAOYSA-N 366.421 2.929 0 50 FFAA Cc1cccc(CN2CCC(NC(=O)c3cn(C(C)(C)C)nn3)CC2)c1 239667342 BPQAUMBIUFMAKN-UHFFFAOYSA-N 355.486 2.736 0 50 FFAA CCc1[nH]c2c(CNC(=O)c3cc(C(=O)OC)nn3C)cc(C)cc2c1C 71756896 YDYJEBHGZCZHRC-UHFFFAOYSA-N 368.437 2.797 0 50 FFAA CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)cn1 175461890 LHYSMSGMRSJVRH-IBGZPJMESA-N 360.502 2.804 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C)nc2cc(Cl)ccc12 222942292 RVXNKCNGLLJOAJ-NZPGVSJUSA-N 360.841 2.976 0 50 FFAA CN(C[C@H]1CCOC1)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 176243668 WNDSMZXIJNYRCJ-ZIAGYGMSSA-N 369.412 2.545 0 50 FFAA CCOc1cccnc1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 176354956 YOAHBSSWDNMRSS-CYBMUJFWSA-N 359.813 2.669 0 50 FFAA Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N(C)C)n(C)c2c(C)cccc12 82099204 KNHDFGXBHNQDME-GJZGRUSLSA-N 374.460 2.619 0 50 FFAA COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2=O)cc1 82115802 RQDWITCQMGJANE-RBUKOAKNSA-N 350.418 2.674 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2cnc(N)c(C)c2)cc1 426544750 JKYBRUSVBOGHLB-CYBMUJFWSA-N 350.426 2.742 0 50 FFAA Cc1cc(-c2ccc(C(=O)N(C)CC3(CO)CCOCC3)cc2)ccn1 426549911 KIRORPOVBOFSNR-UHFFFAOYSA-N 354.450 2.918 0 50 FFAA Cc1nc(C(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)c(C)s1 221345249 DJJJCXQUJWLCHN-GOSISDBHSA-N 368.462 2.694 0 50 FFAA O=C(Cn1cnc2ccccc2c1=O)NCCc1csc2c1CCCC2 91943307 PODWHLGZKGPYMF-UHFFFAOYSA-N 367.474 2.696 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)CC1 95503334 GXYDJUVGWNFETG-QGZVFWFLSA-N 354.397 2.717 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 95501874 KVFLGJMHRMNOHC-INIZCTEOSA-N 358.404 2.975 0 50 FFAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)cc1 95366784 SFDYXNVHQRJPRA-HXUWFJFHSA-N 369.465 2.812 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cncc(-c3ccccc3)c2)C1 293486212 XWGNZALXTKLEER-HNNXBMFYSA-N 358.463 2.645 0 50 FFAA Cc1cccc2nc(C(=O)NCCSCc3ccc(CN(C)C)o3)cn12 97553193 XDMLGVDBJPONEG-UHFFFAOYSA-N 372.494 2.961 0 50 FFAA O=C(O)CCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 92064828 FQOVNDPXKXJIIH-GOSISDBHSA-N 356.466 2.722 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@H](c1cccc(C)c1)N(C)C)OCCO2 95357880 HVGKWMWZQUNKKS-FQEVSTJZSA-N 370.449 2.694 0 50 FFAA COc1cc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)ncn1 95353990 ZMKSLJBSVGQARM-CYBMUJFWSA-N 356.455 2.571 0 50 FFAA CCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cn1 91585923 XLPJSTKBMPVBQL-QGZVFWFLSA-N 364.453 2.563 0 50 FFAA Cc1nc(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n(CCO)n1 96154071 BAFTYSGPRROHTH-UHFFFAOYSA-N 370.497 2.896 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@H]1NC(=O)N(C)C 91655945 OGWXINJEGGQFHB-ZWKOTPCHSA-N 369.465 2.913 0 50 FFAA CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)c2ccccc2n3C)C1 243885690 ABOBGGIYAQDCEM-INIZCTEOSA-N 363.461 2.859 0 50 FFAA CCn1ncc2ccc(NC(=O)c3ccnc(O[C@H]4CCOC4)c3)cc21 183385021 HCSGAYANONPDGD-INIZCTEOSA-N 352.394 2.871 0 50 FFAA Cc1oc(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1C(=O)O 299742294 AZAIQAAGXGROSX-SFHVURJKSA-N 370.405 2.656 0 50 FFAA CN1CCC[C@H]1CCNC(=O)c1cccc(-c2nc(C(C)(C)C)n[nH]2)c1 534655008 BFYZATMUABYILD-INIZCTEOSA-N 355.486 2.983 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)[C@@H](CCSC)n2cccc2)c1 263587679 JWSGOMUDBRHCCO-OAHLLOKOSA-N 361.467 2.789 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)N(Cc1cocn1)Cc1cocn1 584902524 PPTSZVQHDWRHAG-UHFFFAOYSA-N 373.438 2.562 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)N(C)Cc1cnc(-c2ccccc2)s1 584887227 IEHMREABKMIYRQ-HOTGVXAUSA-N 361.467 2.755 0 50 FFAA COc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1csc(C)n1 670448912 WTXGGXXUQMINLZ-UHFFFAOYSA-N 365.436 2.594 0 50 FFAA NCc1cccc(-c2ccc(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2)c1 1875349173 PKKAGFNKVNBRNG-HXUWFJFHSA-N 359.429 2.769 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 1875379392 SQEJZRDVZCHJTI-UHOSZYNNSA-N 374.456 2.929 0 50 FFAA CC(C)C[N@@]1C[C@H]1COc1ccc(CCO)cc1-n1nc2ccccc2n1 1875385339 RAHRHNPBQIMEBD-XDHUDOTRSA-N 366.465 2.674 0 50 FFAA CCn1nnc(C)c1CN[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C)C2)C12CCC2 1875408213 QSKAHXDPBPRHEO-PLYYQAHHSA-N 359.518 2.560 0 50 FFAA COCCN1CCC(CNC(=O)c2ncsc2Nc2ccccc2)CC1 1875267733 PNAIQRVZCVGFMM-UHFFFAOYSA-N 374.510 2.975 0 50 FFAA Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 1875266680 GQFVESWMWVHKPX-CTVGPFBMSA-N 365.861 2.978 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)cc1Cl 872672226 ISHSYIMWOZDONC-VIFPVBQESA-N 368.282 2.784 0 50 FFAA O=C(O)CCNC(=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 1506418791 VBBMGNXVXKHXMG-FQEVSTJZSA-N 359.470 2.549 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Nc1ccccc1F 1565511697 AFPRAJIWBHQYGG-ZBFHGGJFSA-N 368.412 2.989 0 50 FFAA O=C1NCCN(C(=O)Cc2ccco2)[C@H]1c1ccccc1C(F)(F)F 272736783 KBKNUXWNQMPLEL-HNNXBMFYSA-N 352.312 2.541 0 50 FFAA O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N1CCC(C2CC2)CC1 1477331275 SPVFKNZTXIOELY-FQEVSTJZSA-N 357.498 2.892 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2cc(F)ccc2F)o1 275373028 OCFYWGGDTFUJLE-AWEZNQCLSA-N 351.353 2.614 0 50 FFAA CCc1ccc([C@@H](CNc2cc(-n3cccn3)nc(N)n2)N(C)C)cc1 170663852 ZHQXUGIDNORBEK-MRXNPFEDSA-N 351.458 2.522 0 50 FFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 279257324 IKRUUYJEDHSFDZ-BXUZGUMPSA-N 372.400 2.518 0 50 FFAA CC(C)CN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 171120805 IBAKOQDBKHJAJN-UHFFFAOYSA-N 369.263 2.866 0 50 FFAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCN(Cc3ccncc3)CC2)cn1 189807958 BZOLTMNOVABREN-HNNXBMFYSA-N 354.458 2.599 0 50 FFAA C[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(=O)O 191385884 XEBONTVRYXQPOO-UKRRQHHQSA-N 370.405 2.530 0 50 FFAA CN([C@H]1CCNC1)S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 193270666 KQTJXKWFTNZAKL-AWEZNQCLSA-N 358.891 2.501 0 50 FFAA O=C1CCN(Cc2ncc[nH]2)CCN1Cc1ccc(C(F)(F)F)c(F)c1 1506424256 ZRSZBKAPBJCMAY-UHFFFAOYSA-N 370.350 2.802 0 50 FFAA C[C@@]1(O)CCOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)[C@H]1O 1704302426 KMSNHCWMWTZJIK-JKSUJKDBSA-N 359.388 2.572 0 50 FFAA O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCC2)[nH]c1=O 14987135 ZBVGIXVRGCDQLJ-UHFFFAOYSA-N 369.509 2.773 0 50 FFAA Cc1c(CC(=O)N2CC[C@H](O)C2)c2c(n1CC(C)C)CC(C)(C)CC2=O 15073278 XCYFZQVODBQIBO-HNNXBMFYSA-N 360.498 2.743 0 50 FFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3Cc3nonc3C)cc2c1 1857694048 YCQSXAMBKROZEZ-UHFFFAOYSA-N 351.366 2.530 0 50 FFAA COc1ncccc1CN1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857703626 PPUNUNNAHHBASM-NRFANRHFSA-N 366.465 2.943 0 50 FFAA CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)CC1 1857711340 UUYSYYXPESSCJR-LEWJYISDSA-N 372.509 2.745 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCC[C@H](c2nncn2C2CC2)C1 122844802 JXUTUKWBHDBYJP-HNNXBMFYSA-N 369.469 2.830 0 50 FFAA O=C(N[C@@H]1CCc2c(O)cccc21)[C@H]1CCN(c2ccc(F)cc2)C1=O 264930367 NPAJAOIBKQYLKD-IAGOWNOFSA-N 354.381 2.688 0 50 FFAA C=CC(=O)N(C)CC(=O)NCC1(C(=O)Nc2ccc(C)c(C)c2)CCCC1 859904617 JRFZTVFQDBSDRD-UHFFFAOYSA-N 371.481 2.563 0 50 FFAA COc1cccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1OC 1427989 WWIGTMXHUSQRCI-AWEZNQCLSA-N 365.385 2.997 0 50 FFAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 4189539 HJWWOFVIQOFRPJ-ZDUSSCGKSA-N 354.790 2.635 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 2100545246 LDTUUNACQSJXFG-HNNXBMFYSA-N 374.404 2.799 0 50 FFAA COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 801355 JKYGWAOMHTWBPQ-GOSISDBHSA-N 374.462 2.795 0 50 FFAA CC(C)(C)c1nnc2ccc(N3CCC[C@@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790759 IIQJFFNYRIERPE-HNNXBMFYSA-N 365.485 2.688 0 50 FFAA CCC[C@H](CC)C(=O)N1CCC(C)(NC(=O)CCc2ccn(C)n2)CC1 2325792982 APLDDWMNRKAQJS-INIZCTEOSA-N 362.518 2.676 0 50 FFAA COC(=O)c1ccc2[nH]ccc(=NCCN3CCc4sccc4C3)c2c1 2325860028 VGHJTLJQYJUOPE-UHFFFAOYSA-N 367.474 2.975 0 50 FFAA O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1 1232829 MLVXVILMXBZRMZ-NSHDSACASA-N 353.633 2.804 0 50 FFAA CCCCOCCCNS(=O)(=O)c1ccc(Br)cc1 2739351 FLSCPFXUXCLIRW-UHFFFAOYSA-N 350.278 2.934 0 50 FFAA S=C(NC[C@@H]1CCCO1)Nc1ccc(I)cc1 2767293 YQNMPQJGCIZWJU-NSHDSACASA-N 362.236 2.757 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)C1(c3ccc(OC)cc3)CCCC1)C2 2356151381 GJEIVTWRDZNXHR-PXNSSMCTSA-N 359.466 2.628 0 50 FFAA COc1ccc(-c2noc(CNC(=O)Cc3ccccc3)n2)cc1OC 4943589 UZKJUFQZQPPFBD-UHFFFAOYSA-N 353.378 2.613 0 50 FFAA O=C(c1ccc(-c2ccsc2)nc1)N1CCCN(c2ncccn2)CC1 67769693 FTFKTUKCFPLWDJ-UHFFFAOYSA-N 365.462 2.953 0 50 FFAA CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)O 4817643 ICPRRRIOSWIIEG-OAHLLOKOSA-N 356.378 2.541 0 50 FFAA biogenic COCc1cc(N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)n2ncnc2n1 253427265 ONBZWNAHBCAKBM-SJORKVTESA-N 367.453 2.953 0 50 FFAA CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2c[nH]cn2)[C@H]1c1ccccc1 36358454 QLGHLIGTIUWFMF-VQTJNVASSA-N 374.444 2.679 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)C2)CCC1=O 77298089 VHVRRLXOYBYMQR-KRWDZBQOSA-N 350.850 2.991 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@H](O)c2ccccc2F)n1C 328632564 LKVQZGOAEWXMBI-HKUYNNGSSA-N 359.445 2.784 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 363294596 BJZQIJOMUPPKRB-SFHVURJKSA-N 355.413 2.841 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)[C@@H]2CC23CCC3)CC1 72462917 QWMNZSQETLWPDK-AWEZNQCLSA-N 359.422 2.710 0 50 FFAA O=S(=O)(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1 72151356 HPPFZADFLFHLLV-INIZCTEOSA-N 365.886 2.678 0 50 FFAA CC(C)(C)OCc1cc(CNC(=O)NCCc2ccc3c(c2)CCO3)no1 239636972 BHWFGMWISZAMFY-UHFFFAOYSA-N 373.453 2.967 0 50 FFAA CC(C)(C)n1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cn1 236776338 CUMVKSOGMCYLQA-UHFFFAOYSA-N 355.438 2.897 0 50 FFAA O=C(Nc1cccnc1N1CCCC1)N1CC[C@@H](Oc2cccnc2)C1 127885923 HDXHUQCHDRVUJR-MRXNPFEDSA-N 353.426 2.762 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccccc1-c1nc[nH]n1 77343905 WVWILSSGZMGYDX-UHFFFAOYSA-N 358.405 2.930 0 50 FFAA O=C(CSCC(=O)N1CCCCC1)Nc1cc(Cl)c(O)cc1F 240934489 JCLJQQYHDPGIEW-UHFFFAOYSA-N 360.838 2.869 0 50 FFAA Cn1ncc2c(NCCCNc3cccnc3)nc(-c3ccncc3)nc21 72167713 QYQWXHGYBABHFD-UHFFFAOYSA-N 360.425 2.734 0 50 FFAA O=C(NCCc1csc(-c2cccnc2)n1)c1cnn2c1CCCC2 72126633 BIIMVZQNNSMJTH-UHFFFAOYSA-N 353.451 2.710 0 50 FFAA COc1ccc(-c2noc(Cn3ncc4cccnc43)n2)c(OC)c1OC 71771186 LGBCODGEOJIKND-UHFFFAOYSA-N 367.365 2.555 0 50 FFAA CCCCc1nc(CN2CC[C@](O)(CN3CCCCC3)C2)c(Cl)[nH]1 77420120 FMIWRZBJZPALSS-SFHVURJKSA-N 354.926 2.828 0 50 FFAA O=C(NC[C@H](CO)Cc1ccco1)c1csc(Cc2ccccc2)n1 82157341 KJLAEOVCJYNGKD-OAHLLOKOSA-N 356.447 2.908 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1ccc([C@@H]3CCCCO3)s1)C2 82106679 RRIYYPCGLSWCKM-SFHVURJKSA-N 374.510 2.838 0 50 FFAA O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCC12CC3CC(CC(C3)C1)C2 18163445 PSUSGVBBKJCCDF-NSHYTLASSA-N 372.509 2.884 0 50 FFAA C[C@H]1CN(CCCNC(=O)Cc2csc(-c3ccccc3)n2)C[C@@H](C)O1 47432613 AOYLTTPLDJGTSU-IYBDPMFKSA-N 373.522 2.968 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N[C@@H]3COC4(CCCCC4)C3)c2c1 426386517 ZSLGQQJMVRCQIC-HNNXBMFYSA-N 358.438 2.901 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nc(C)no4)C3)[nH]n2)cc1 178104079 BJXJRCFIFSNVFO-AWEZNQCLSA-N 367.409 2.797 0 50 FFAA C[C@@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc3c(c2)OC(F)(F)O3)c1 426361242 JMDJERWSCZYQIR-LLVKDONJSA-N 374.343 2.636 0 50 FFAA CCS(=O)(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)s1 426646962 DGHLLZFYUISMDU-CQSZACIVSA-N 365.476 2.727 0 50 FFAA COCc1nc2cc(-c3cccc(C(=O)NCCNC(C)=O)c3)ccc2o1 426580918 DORGJVJUXOUHCO-UHFFFAOYSA-N 367.405 2.507 0 50 FFAA COC(=O)c1sccc1-c1ccc(C(=O)NCCN2CCCC2=O)cc1 426465092 FLSRYJTVYOIBEL-UHFFFAOYSA-N 372.446 2.554 0 50 FFAA COCCCCN1CCN(C(=O)NCc2c(F)ccc(C)c2F)CC1 426634043 TWKYXZGEBWAMJQ-UHFFFAOYSA-N 355.429 2.527 0 50 FFAA CCc1nc2ccc(NC(=O)N[C@H]3CCCN(c4cnccn4)C3)cc2[nH]1 426596456 IBOLKBDSBDKQDL-AWEZNQCLSA-N 365.441 2.706 0 50 FFAA O=C(CN1CCN(C2CCCCC2)CC1)Nc1cccc2nsnc12 22752050 KZMDCJLXVKLHGX-UHFFFAOYSA-N 359.499 2.580 0 50 FFAA CN(CCSc1ccccc1)C(=O)c1ccc2c(c1)ncn2CCO 97527959 HOZWEGHJKRNDLU-UHFFFAOYSA-N 355.463 2.893 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)Cc1noc2c1CCCC2 95512857 JMQFNFOAUWDMRE-UHFFFAOYSA-N 365.433 2.835 0 50 FFAA CCOCC1(c2nc3c([nH]2)C[C@@H](c2ccccc2OC)CNC3=O)CCC1 95371369 JDLGLSSEDRLYRZ-CQSZACIVSA-N 369.465 2.946 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1csc(SC)n1)C2 95507574 WSRXUTGCOXLNAQ-JTQLQIEISA-N 350.465 2.855 0 50 FFAA COc1cc(N2CCC(c3nccn3Cc3ccccn3)CC2)ncn1 95529866 UIMSTWZLAXTGKQ-UHFFFAOYSA-N 350.426 2.509 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)on1 91829175 STQOEWLMYVPKPC-WBMJQRKESA-N 372.450 2.731 0 50 FFAA Cc1cccc(S(=O)(=O)N2CCN(c3nc(C)c(C)s3)CC2)c1F 181393527 PTVHNUUOGZHTMI-UHFFFAOYSA-N 369.487 2.718 0 50 FFAA Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(C)nc4c3c(=O)[nH]n4C)C2)c1 181951552 FGHHKCOBVKTOFH-HNNXBMFYSA-N 364.449 2.817 0 50 FFAA COc1cncc([C@H](NC(=O)c2nc(C(C)C)cs2)[C@H]2C[C@H](O)C2)c1 252539143 NUBPSDHWYZYENC-AXAPSJFSSA-N 361.467 2.912 0 50 FFAA O=C(CC1(O)CCCC1)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O 184875623 FTKVZSGOECTAJX-CYBMUJFWSA-N 370.371 2.622 0 50 FFAA Cc1c(-c2cccc(C(=O)N3CCC(c4nncn4C)CC3)c2)cnn1C 534574425 GWVDIZVJOTXHPJ-UHFFFAOYSA-N 364.453 2.544 0 50 FFAA COCCn1ccc2c(OCC(=O)Nc3n[nH]c(C(C)C)n3)cccc21 263586994 ATMWUMOGOJZLDF-UHFFFAOYSA-N 357.414 2.547 0 50 FFAA CC[C@@H](NC(=O)c1cccc(-c2cncc(N(C)C)n2)c1)c1ccnn1C 534673900 CUOFVZSJYJCGHX-MRXNPFEDSA-N 364.453 2.824 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)N(C)CCN2CCCCCC2)n1 534666260 HCEWOCYFNQIRCX-OAHLLOKOSA-N 351.495 2.847 0 50 FFAA COc1ccc(Cc2nc([C@]3(C)CCN(C)C3)n(-c3ccncc3)n2)cc1 824674419 CTPOHMNQFDBYHT-OAQYLSRUSA-N 363.465 2.855 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)NCCc1nc(C2CC2)no1 584900329 NDMFJKZLADGQBB-UHFFFAOYSA-N 366.425 2.517 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)NC[C@H]2CCN(C(C)(C)C)C2)no1 584891432 GYOZYLQNSZDTJS-CQSZACIVSA-N 351.495 2.530 0 50 FFAA O=C(NCc1n[nH]c2c1CCCCC2)c1csc(-c2ncccn2)n1 670454425 DZKAVWAQNNUPFI-UHFFFAOYSA-N 354.439 2.522 0 50 FFAA Cc1nn([C@@H]2CCOC2)cc1C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1875271761 DHMASDWMMNCSMB-AEFFLSMTSA-N 368.437 2.746 0 50 FFAA C=CC(=O)N[C@H](C)C1CCN(C(=O)[C@H]2CCc3cc(OC)ccc32)CC1 1875385823 CGICRFCSZBGSNN-KUHUBIRLSA-N 356.466 2.654 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H]1CCCC2(CC2)C1 1875327158 SJEKFVYLHGFJAR-KBPBESRZSA-N 368.474 2.579 0 50 FFAA O=C(O)[C@H](c1ccc(Cl)c(F)c1)N1CCC(O[C@@H]2CCOC2)CC1 1875304380 ITFZRMNEXXAKAU-CJNGLKHVSA-N 357.809 2.875 0 50 FFAA C[C@@H](C[C@H](O)c1ccccc1)NC(=O)NC1CCC(N2CCCC2=O)CC1 1875326694 HZLIWIMTSVSBQE-RXQRSOPUSA-N 373.497 2.731 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N(CCN2CCCCCC2)C(C)C)CC1 952845794 WYVMAODQXJLGAX-UHFFFAOYSA-N 365.562 2.994 0 50 FFAA O=S(=O)([C@H]1C[C@H]1c1cccc(F)c1)N1CC(F)(c2cccnc2)C1 1875404724 RNKJGBWHPFSHDL-HOTGVXAUSA-N 350.390 2.587 0 50 FFAA CCc1nccn1CCC(=O)Nc1cc(-c2ccc(O)nn2)ccc1C 952986970 CNEDAGAZYYDPDT-UHFFFAOYSA-N 351.410 2.945 0 50 FFAA Cc1ccc([C@H](O)CN2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886068663 HGCIZYJWLZENND-NHCUHLMSSA-N 355.482 2.638 0 50 FFAA COCC(=O)N1CCCc2ccc(NC(=O)c3cc(Cl)ccn3)cc21 888037728 YWYYDODTQVWVIF-UHFFFAOYSA-N 359.813 2.913 0 50 FFAA COc1ccc(F)c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)c1 1565528271 XGHQGNSXVIHRMS-YJBOKZPZSA-N 369.440 2.966 0 50 FFAA CSc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)cc1 1565507164 IUWOCAJDHRAKNN-ROUUACIJSA-N 358.463 2.908 0 50 FFAA CC(C)[C@H]1OCCC[C@H]1Nc1cc(NCc2ccc(C(N)=O)cc2)ncn1 275715061 OGXAWDHQFBUKDJ-VQIMIIECSA-N 369.469 2.803 0 50 FFAA C[C@H]1CN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 191868489 RHLPMWIZMJIEKA-ZDUSSCGKSA-N 357.903 2.802 0 50 FFAA OCCn1nccc1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 191978906 VRQYOKJCCCAPST-UHFFFAOYSA-N 367.852 2.926 0 50 FFAA CC(C)(C)N1CCC(NC(=O)NCc2ccc(Cn3cccn3)cc2)CC1 193837971 XGFRICSTNURDGT-UHFFFAOYSA-N 369.513 2.994 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cccc(-n2cnnc2)n1 1506399760 QODCBQSFTJUJOR-UHFFFAOYSA-N 350.357 2.555 0 50 FFAA CC(C)CN1CCN(c2noc(-c3ccccc3)c2C(=O)O)C[C@@H]1CCO 1704311290 CUGLYIOFJNNZOU-INIZCTEOSA-N 373.453 2.569 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1C[C@H](Cc2cnccn2)[C@@H](O)C1 1615953978 WXSDDENRVGPQDM-ZBEGNZNMSA-N 368.264 2.827 0 50 FFAA CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 12383109 UAAWNDWIGSIWAY-INIZCTEOSA-N 354.454 2.716 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 12596422 KKWWEJHNXCSEIV-KRWDZBQOSA-N 360.433 2.680 0 50 FFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2sccc2C)n2nnnc2N1 13125253 ROOLJGKSYOTAGD-CQSZACIVSA-N 352.423 2.971 0 50 FFAA CCc1cc(C(=O)N2CCC(=O)N(Cc3ccccc3Cl)CC2)n(C)n1 14989117 ZNRLJASQUWQZDN-UHFFFAOYSA-N 374.872 2.511 0 50 FFAA CC[C@H](C)c1c(O)nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c1=O 16662325 MFKZMGCCXBXAMI-JTQLQIEISA-N 363.439 2.728 0 50 FFAA O=C(/C=C/c1ccccc1)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19227764 OYSIKABTKLFMDM-PSKZRQQASA-N 363.672 2.845 0 50 FFAA O=C(O)c1cccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c1 19791743 PZAJMRBLHUIYFJ-CQSZACIVSA-N 371.370 2.507 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc(C)c1C 19884280 NPZNXLUTJFESDA-QWRGUYRKSA-N 354.472 2.589 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857677611 JQRHSFJGWMFUHT-IBGZPJMESA-N 371.824 2.625 0 50 FFAA COc1ccccc1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857718871 XKWSJYGJWLJGIV-XHYAQGIWSA-N 370.493 2.847 0 50 FFAA O=C1C[C@H]2N(Cc3nc(-c4ccccc4)cs3)CC[C@]23OCCCN13 1857736049 NOCQYDMKNKQTNO-APWZRJJASA-N 355.463 2.733 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1coc(-c2ccccc2)n1 119329960 HGGCLFOAZQEKCA-HNNXBMFYSA-N 355.438 2.572 0 50 FFAA CNC[C@H]1CCCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)C1 237087351 FKCYWTFVVUNKRK-CQSZACIVSA-N 361.877 2.609 0 50 FFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCc1cccc(CN3CCCC3)c1)CC2 245675896 FVLARDSVUDGBBZ-PMACEKPBSA-N 356.514 2.661 0 50 FFAA COc1cccc([C@H]2CN(Cc3c(C)noc3C)C[C@@H]2C(=O)O)c1OC 251981910 GEPHERLXCFGKLR-CVEARBPZSA-N 360.410 2.609 0 50 FFAA COc1ccccc1C(=O)NCC(=O)N[C@H]1CC(C)(C)c2ccccc21 158214324 RCDAGIOPNLQAPQ-KRWDZBQOSA-N 352.434 2.964 0 50 FFAA CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1 163204877 ZJNZBPYVCXKKAI-UHFFFAOYSA-N 371.422 2.621 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnc(C)cn2)CC[C@H]1NC1CCCC1 2100547590 LNGPTHVJWWITPK-PWIZWCRZSA-N 374.529 2.897 0 50 FFAA CN1C(=O)N(Cc2ccc(C3CC(=O)C3)cc2)S(=O)(=O)c2ccccc21 2325777519 IRHPTVNSLOCVJY-UHFFFAOYSA-N 370.430 2.894 0 50 FFAA C[C@H]1CN(c2nc(C(F)F)ccc2Br)C[C@@H](C)N1CCO 2325780542 SEEQSWDVYYGJKW-AOOOYVTPSA-N 364.234 2.673 0 50 FFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCC(C)(C)OC(F)F)CC1=O 2325819691 NBACJJMRLPZSNK-OCCSQVGLSA-N 354.397 2.730 0 50 FFAA Cc1nccn1C[C@H](C)CNC(=O)c1cn2cccc(C(F)(F)F)c2n1 2325857902 UCEBZDYZRBZFDR-LLVKDONJSA-N 365.359 2.924 0 50 FFAA CC1(C)CN(c2cncc(-c3ccc(Cn4cccn4)c(F)c3)n2)CCN1 2325858835 CFTULWLVVLCBNF-UHFFFAOYSA-N 366.444 2.716 0 50 FFAA CCC(=O)NC[C@]1(C)CN(c2cc(Cl)nc(C(C)(C)C)n2)CCO1 2325868444 ZKJRCMAEGHDSIW-QGZVFWFLSA-N 354.882 2.549 0 50 FFAA CO[C@@H]1CCNC[C@H]1C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 2325874730 YWROYFZSANEBGR-QHAWAJNXSA-N 350.462 2.785 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 2325889997 OTMNGCAJTMSOFI-CQSZACIVSA-N 367.453 2.767 0 50 FFAA C[C@H](NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1nc(Cc2ccccc2)no1 246306191 CQJJNKFCWBBENB-LLLHUVSDSA-N 370.453 2.978 0 50 FFAA COc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)cc1Cl 715538 VHVNBAVWDFTXSY-UHFFFAOYSA-N 374.780 2.592 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2=O 850539 XCJHOBUZMKOFQQ-UHFFFAOYSA-N 364.467 2.868 0 50 FFAA O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1164993 GPRNZYRLILVTOV-UHFFFAOYSA-N 362.451 2.774 0 50 FFAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1nn(C)c(=O)c2ccccc12 55393457 FBADSMUIYONKHS-GFCCVEGCSA-N 351.410 2.662 0 50 FFAA COc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)c(C)c1 170624801 FTHXCWVCTLHQMN-UHFFFAOYSA-N 350.374 2.833 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 249745051 MMNXZEZOPOXASA-KURKYZTESA-N 371.525 2.977 0 50 FFAA c1ccc(-c2ccc(-c3n[nH]c4c3CN(CCc3nnn[nH]3)CC4)cc2)cc1 67675515 RKVAGEKYCYFQTC-UHFFFAOYSA-N 371.448 2.858 0 50 FFAA CCN(CC)Cc1nnc2sc(Cc3ccc(OC)c(OC)c3)nn12 61722177 CRSTVAFFXUXDGM-UHFFFAOYSA-N 361.471 2.636 0 50 FFAA CCCCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67790680 CQDYONCBKKAQGF-HNNXBMFYSA-N 357.458 2.640 0 50 FFAA Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)N1CCC2(CC1)OCCO2 2774971 ROTMPRFCRZGADO-SNVBAGLBSA-N 363.792 2.709 0 50 FFAA CC1=NN(C(=O)COc2ccc(Cl)cc2C)[C@](O)(C(F)(F)F)C1 4725113 XAYCNEOBPPJVNR-CYBMUJFWSA-N 350.724 2.886 0 50 FFAA CCN1CCN(C(=S)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 6654884 WHGQADQGMMJZAN-UHFFFAOYSA-N 367.540 2.748 0 50 FFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3C)CC2)n1 33318259 WPMMTMSHFFVWEC-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)n1 363346280 TWKUZPFNXLCEMG-CQSZACIVSA-N 361.877 2.936 0 50 FFAA Cc1nc(CC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cs1 328632498 RZSJICKVWMWEOA-MRXNPFEDSA-N 372.494 2.669 0 50 FFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCO[C@H](c2ccc(F)cc2)C1 363335865 XBKQFAKZOVYYRW-MSOLQXFVSA-N 374.416 2.807 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)/C=C/c3ccc(C)cc3)CCO2)cn1 328618378 DSGXTBJLAWMBIF-MZEUMTGBSA-N 361.467 2.585 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)c1 366771771 ZFTQCQMJHUHPBJ-KBPBESRZSA-N 355.438 2.548 0 50 FFAA O=C(c1ccc(O)cn1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 71712057 LELUEKWUXJZQQP-HNNXBMFYSA-N 366.339 2.890 0 50 FFAA COCCN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2C1=O 32071156 VBFRRENHDRGAMY-UHFFFAOYSA-N 363.373 2.663 0 50 FFAA CCCCC(=O)N1CCN(c2ccc(Nc3ccc(C)cn3)nn2)CC1 72434158 VETFNNMGSDWLSI-UHFFFAOYSA-N 354.458 2.762 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)sc2nc[nH]c(=O)c12 77471836 XLEQOHJGHJRXQK-SNVBAGLBSA-N 373.438 2.777 0 50 FFAA CC(C)[C@@H](O)C1CCN(c2ccnc(C(=O)NCc3ccco3)c2)CC1 71746022 QXHAKPPWQQAOBT-LJQANCHMSA-N 357.454 2.838 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1)c1ccc(C)cc1 332901660 VQZNCJJVQKGCBZ-QWFCFKBJSA-N 358.482 2.978 0 50 FFAA CCCCOCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72428953 RRMAQJWIWFJRLP-NRFANRHFSA-N 373.497 2.630 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCc1n[nH]c3c1CCC3)O2 215945619 HNNOYMMQDOXHAC-NRFANRHFSA-N 369.465 2.929 0 50 FFAA CCc1ccc(CC(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 72161360 MRPBKDJJIVNKMX-FQEVSTJZSA-N 368.452 2.890 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cnc(CC)nc3)CC2)OC1=O 77428235 HQDFZUODOVBDBV-CQSZACIVSA-N 360.458 2.655 0 50 FFAA CCCCc1nc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)c[nH]1 72138857 VBDHZYIVAMKGPY-OAHLLOKOSA-N 356.470 2.998 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1ccc[nH]1 174331566 QEQMIXXFCNHATQ-HNNXBMFYSA-N 361.829 2.598 0 50 FFAA COc1ccc(Cl)c2c1N(S(=O)(=O)c1cn(C)nc1C)CCC2 287082122 YBTWJRXPSFNCEJ-UHFFFAOYSA-N 355.847 2.532 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)N1CCC[C@H](c2ccn[nH]2)C1 221385240 KWXMWTFRHDKSJX-ZDUSSCGKSA-N 355.398 2.782 0 50 FFAA O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cn(C2CCOCC2)nn1 291782628 GFAMHQWNMHVAAE-HOCLYGCPSA-N 367.453 2.871 0 50 FFAA Cc1nn(-c2ccc(NC(=O)c3c(C(=O)O)cnn3C)cc2)c(C)c1Cl 20615245 ZHEUXUCMYHPAEO-UHFFFAOYSA-N 373.800 2.827 0 50 FFAA O=C(Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1)NC1CC1 426667099 PYIAOINUTXVXRK-UHFFFAOYSA-N 367.453 2.642 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1ccc(-c3cncn3C)cc1)CC2 426387205 CZMXFKAZLKSEIY-UHFFFAOYSA-N 366.465 2.562 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N1CCOc2ccc(Cl)cc2C1 220318115 ONDBSQOJUXNXIZ-AWEZNQCLSA-N 352.818 2.682 0 50 FFAA Cc1cc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c2cccc(C)c2n1 82120711 IGWSJZDNHOEBFW-UHFFFAOYSA-N 374.444 2.972 0 50 FFAA COc1cccc(-c2ncc(-c3cn([C@H](C)c4nncn4C)nn3)s2)c1 91755238 KNOTXVXMVXNNAE-LLVKDONJSA-N 367.438 2.815 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1cccc(-c2nccc(OC)n2)c1 426382893 JBYLWXMHHZGANH-UHFFFAOYSA-N 365.437 2.938 0 50 FFAA O=C(c1ccc2ncsc2c1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95498955 MXDNGRXRCIMSHY-FOIQADDNSA-N 366.442 2.907 0 50 FFAA Cc1n[nH]c(CN2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c1Cl 91986554 CMKROLJZWWJLSD-SFHVURJKSA-N 350.894 2.986 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(c3nc4c(cc3C(N)=O)CCC4)C2)c1 95528746 BPNVFAJGRUDZAC-AWEZNQCLSA-N 367.449 2.680 0 50 FFAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCC[C@@H](OCc2ccccn2)C1 426661899 BBYMUMVSBFSVKU-QGZVFWFLSA-N 355.442 2.573 0 50 FFAA COc1ccc(-c2cccc(C(=O)NCCCn3nc(C)nc3C)c2)cn1 426533691 CYKFQKOEFMDYME-UHFFFAOYSA-N 365.437 2.786 0 50 FFAA COc1ccc([C@@H]2CN(c3nc4ccccc4o3)C[C@H]2NC(C)=O)cc1 91829393 CCUOQMSNLBGVEP-FUHWJXTLSA-N 351.406 2.945 0 50 FFAA COc1ccc(-c2cn(C3CCN(Cc4nc(C)c[nH]4)CC3)nn2)cc1 23192463 BCGFFZIRYXRZDO-UHFFFAOYSA-N 352.442 2.822 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95354533 BBTCUBQKYDMHPQ-KRWDZBQOSA-N 368.481 2.667 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 91793971 ZVHGUOJRSRRDGD-FQEVSTJZSA-N 370.416 2.983 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CC(Oc3ccccc3OC)C1)C2 91269686 ZPOYVXBKDMWKKM-HNNXBMFYSA-N 369.417 2.545 0 50 FFAA Cc1nc(-c2nc([C@@H]3CCS(=O)(=O)C3)n(Cc3ccccc3)n2)cs1 96167009 KFUDZTQAAPNMKN-CQSZACIVSA-N 374.491 2.660 0 50 FFAA CN(CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1cc2cc(F)ccc2[nH]1 243901550 BCHYKDIUOXGKHZ-UHFFFAOYSA-N 368.412 2.867 0 50 FFAA Cc1ccc2[nH]c(SCC(=O)NCCc3noc(C4CC4)n3)nc2c1 244817022 SSXULDFUNPFNCU-UHFFFAOYSA-N 357.439 2.583 0 50 FFAA CN1CCc2ccc(NC(=O)[C@H]3CN(Cc4ccccc4)CCO3)cc21 183032871 VMTWXDSZCOBUSU-HXUWFJFHSA-N 351.450 2.518 0 50 FFAA Cc1nc2ccc(C(=O)N3CCC[C@H]3Cn3cc(C4CC4)nn3)cc2o1 299744357 OJEMATZFNVBIIE-HNNXBMFYSA-N 351.410 2.910 0 50 FFAA Cc1ccc2cc(CO)c(-c3ccc(C(=O)N4CC[C@H](N)C4)cc3)nc2c1 534582538 LMKWJODCKBBTGD-IBGZPJMESA-N 361.445 2.876 0 50 FFAA Cc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 363781200 ILSOAWUKDNTKNA-MRXNPFEDSA-N 350.846 2.502 0 50 FFAA CCc1c(C)nn(CCNc2cc([C@@H]3CCOC3)nc(COC)n2)c1C 299771543 QKXNYPXIYNMXEW-OAHLLOKOSA-N 359.474 2.615 0 50 FFAA Cc1nc([C@@H]2CC(=O)N(C3CCCC3)C2)n(-c2ccc3c(c2)OCO3)n1 828247941 KBVYNYMVFNKFCR-CYBMUJFWSA-N 354.410 2.563 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)NCc1cn2c(n1)SCC2 827857612 DQCHWVJRACZZOQ-UHFFFAOYSA-N 356.476 2.971 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)N1CCOC2(CCCC2)C1 584887987 HRIKLMCSKWCIKE-GOSISDBHSA-N 371.481 2.646 0 50 FFAA CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 268869801 UZHAHXPDIYATEQ-KRWDZBQOSA-N 368.485 2.751 0 50 FFAA NC[C@H]1CN(C(=O)c2nc3ccccc3cc2Cl)CC12CCOCC2 1875312056 GVGBZXYNQYURST-AWEZNQCLSA-N 359.857 2.716 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)c2nnc(-c3ccccc3)s2)C1 1875371250 VAEDZOCOQOVDRK-AWEZNQCLSA-N 356.451 2.593 0 50 FFAA CN(C(=O)c1nc2ccccc2s1)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 1875310712 ZNUFTOISSCLNQS-ZFWWWQNUSA-N 373.478 2.538 0 50 FFAA C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc(C(F)(F)F)c2)[C@H]2C(=O)NC[C@H]12 1875319835 UWOXCFRUXZXAGU-DDHOLCJHSA-N 367.371 2.574 0 50 FFAA CCn1cccc1C(=O)N[C@H]1COC2(C1)CN(CC1CCC(C)CC1)C2 1875406617 IJHJGKHQHVZOMB-DAWZGUTISA-N 359.514 2.907 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3cccc4c3OCO4)C2)ccn1 886044877 LJJDRMQRDUBMGF-SFHVURJKSA-N 355.438 2.525 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)c(O)n2)cc1 1565505802 VTXLRBBCWDWABE-HOCLYGCPSA-N 367.449 2.629 0 50 FFAA Cc1ccc(SCC(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 170601771 CLEYSZZREZADQS-UHFFFAOYSA-N 360.483 2.942 0 50 FFAA Cc1ccc(N2N=C(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)NCC2=O)cc1 222084860 HSPSVWYLEVIPIP-IUSZMWJPSA-N 368.481 2.576 0 50 FFAA COc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C(C)(C)C)ccc2=O)cc1 171166172 WGKVRBVSIWDGJW-KRWDZBQOSA-N 369.465 2.913 0 50 FFAA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1CCCc2c(O)cccc21 190171809 AYBVFTLDEHOZFM-MSOLQXFVSA-N 368.433 2.713 0 50 FFAA C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cnc2cc(F)c(F)cc21 193035225 UIUBMFKRXLCUKD-ZWNOBZJWSA-N 350.369 2.719 0 50 FFAA OC[C@@]1(Cc2ccccc2)CN(CCCOc2ccc(F)cc2)CC[C@@H]1O 1529174888 XXLMBSUBGPJAJJ-FCHUYYIVSA-N 373.468 2.883 0 50 FFAA Cc1cccc(S(=O)(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)c1 1704308742 JEZUZUUHMHFBIJ-LJQANCHMSA-N 357.479 2.762 0 50 FFAA O=C(c1csc(-c2ccccc2)n1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616073295 OIPWUBHPTNDUCZ-WMZOPIPTSA-N 369.490 2.745 0 50 FFAA Cc1ccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)n1C(F)F 1772712368 LFOYFZYRGGTHHR-UHFFFAOYSA-N 351.353 2.773 0 50 FFAA C=CCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1sccc1C)CC2 12149405 GKNBUWAAIAWZAJ-OAHLLOKOSA-N 362.495 2.599 0 50 FFAA CC(C)N1C(=O)N(C)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O 14533321 HRKYGWVSTQJROA-UHFFFAOYSA-N 372.494 2.933 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 14747044 YPSQZNGWBVGWMA-OAHLLOKOSA-N 356.470 2.769 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1 19790087 YIXNDGXSKXLYSV-UHFFFAOYSA-N 350.871 2.847 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc2ncnn12 19852822 UQAJPWLILYQKJY-UHFFFAOYSA-N 363.830 2.826 0 50 FFAA COc1ccccc1/C=C1/SC(=O)N(CN2C[C@@H](C)O[C@H](C)C2)C1=O 19867388 QVGULGUGGQZVHC-CWJRHKRGSA-N 362.451 2.798 0 50 FFAA Cc1ccsc1C(=O)N1CC[C@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778191 DUWJRDBYRANMEL-LBPRGKRZSA-N 370.438 2.663 0 50 FFAA CN1CCN(C(C)(C)Cn2ccnc2-c2ccnn2-c2ccccc2)CC1 1857687813 GLUVXWODEFONAN-UHFFFAOYSA-N 364.497 2.762 0 50 FFAA CCOC(=O)c1coc(=NCc2nc(-c3ccc(OC)c(O)c3)oc2C)[nH]1 1857701998 VLZMPBJTUBSKAM-UHFFFAOYSA-N 373.365 2.563 0 50 FFAA CCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3ccc(Cl)s3)[C@H]3CC[C@]2(C1)O3 1857712148 LQFVJFSQIXWXGS-SHFDMQKMSA-N 368.886 2.547 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H]1Cc1cc(F)ccc1F 416262514 WREQPDHQLRURKB-KRWDZBQOSA-N 369.375 2.788 0 50 FFAA COc1cccc(OC)c1[C@@H]1CC(c2ccccc2)=NN1S(C)(=O)=O 328599868 UGJHKVPFAUQBNS-HNNXBMFYSA-N 360.435 2.815 0 50 FFAA Cc1cc([C@@H]2CN(c3nccc(N[C@H]4CCCOC4)n3)CCO2)ccc1F 333141644 KKGYSXGELZFHRF-WMZOPIPTSA-N 372.444 3.093 0 50 FFAA O=C1CCCCN1Cc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1 848942041 UKMLNOIOZSHGCV-UHFFFAOYSA-N 369.509 2.947 0 50 FFAA CO[C@](C)(C(=O)O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 852952173 UOOBJKWBDFXTHJ-FQEVSTJZSA-N 362.470 2.559 0 50 FFAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1cc2c(ccc3ccccc32)o1 2325797137 ORDBPMGGBLOSFV-RKNNYCBESA-N 351.402 2.694 0 50 FFAA O=C(Cc1ccc2cnccc2c1)N[C@H]1C[C@@H](NC(=O)CC2CCC2)C1 2325867717 DNDOAHZPHJGZBX-KDURUIRLSA-N 351.450 2.731 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)CC1 2325882727 XJCQOCOYSYSQPS-UHFFFAOYSA-N 357.435 2.879 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(F)cc(OC)c3)C2)CC1 2325888067 ZDDYSYXJYMANLV-INIZCTEOSA-N 374.456 2.965 0 50 FFAA O=C1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)[C@H]2CCCC[C@H]2N1 894375039 IZSXGTZCIALAOI-TVRNETQVSA-N 358.404 2.872 0 50 FFAA Cn1ccc(-c2cc(C(=O)N3CCN[C@@H](c4ccc(Cl)cc4)C3)n[nH]2)c1 1454260864 AXCIMKSFSOFWHX-GOSISDBHSA-N 369.856 2.855 0 50 FFAA CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 1193919 JXAXCHPHDPOXOO-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1c(Cl)cccc1Cl 2356135671 OIIMGVUPKJRSBT-KRWDZBQOSA-N 357.281 2.943 0 50 FFAA Cc1nc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)cn1C 2356139324 PJCKHJUAXRCESI-NRFANRHFSA-N 352.482 2.886 0 50 FFAA O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680473 OYUPZVUVQJSYDC-UHFFFAOYSA-N 364.492 2.853 0 50 FFAA CCn1nc(C)c(CN(CCOC)Cc2cccn2-c2ncccn2)c1C 55211461 WFPSNKIUAUDDII-UHFFFAOYSA-N 368.485 2.749 0 50 FFAA Cc1ccccc1CN1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 20540003 XYNPLYZNTKZAGW-LJQANCHMSA-N 355.526 2.950 0 50 FFAA Cc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCOCC3)c2)cc1 57291718 QORYHVLQHSNGPP-UHFFFAOYSA-N 353.422 2.518 0 50 FFAA Cc1nc(NCCNC(=O)Cc2ccc(Cl)cc2)cc(N2CCCC2)n1 67613077 MJGJPIJLOWHEGL-UHFFFAOYSA-N 373.888 2.809 0 50 FFAA Cc1cccc2c(=O)cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)oc12 28404048 MJCJAELJAPMHIO-UHFFFAOYSA-N 364.357 2.709 0 50 FFAA NC(=O)c1cccnc1N1CCC(CO)(CCCc2ccccc2)CC1 67739760 GQZMAANTUYGEKK-UHFFFAOYSA-N 353.466 2.782 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)NCc3sc(C)nc3C)cnn2c1 67834476 JDHZHSQFKHXGRP-UHFFFAOYSA-N 372.498 2.574 0 50 FFAA CC(C)N(Cc1cccc(C(=O)Nc2cnccn2)c1)Cc1nccn1C 65496895 CKCOIPWPPCPNLI-UHFFFAOYSA-N 364.453 2.873 0 50 FFAA Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3nonc3C)no2)c1 67852270 UWOPQQRUBPRIFV-UHFFFAOYSA-N 356.382 2.834 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc3c[nH]nc3c2)n1C 328629482 IHCPKAPFXXMBEA-SFHVURJKSA-N 351.454 2.988 0 50 FFAA CC1=NN(C(=O)COc2ccc(Cl)cc2C)[C@@](O)(C(F)(F)F)C1 4725116 XAYCNEOBPPJVNR-ZDUSSCGKSA-N 350.724 2.886 0 50 FFAA CC(C)(C)NC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 77355042 ZZRSBZZHEMBVBS-HXUWFJFHSA-N 358.486 2.794 0 50 FFAA c1cnn(CCC2CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)c1 215534523 KFKUNHPFZRJFON-IBGZPJMESA-N 370.501 2.566 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1 329569771 UJAHPWVXJSXENB-HNNXBMFYSA-N 360.801 2.655 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 8457098 JTROVGVGDNXTMK-UHFFFAOYSA-N 372.490 2.963 0 50 FFAA O=C(NCc1nc(C(=O)O)cs1)C1=Cc2cc(Cl)ccc2OC1 173656148 MOVDYUKRPCVOAL-UHFFFAOYSA-N 350.783 2.587 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cc1 126431000 AGEGEORGUFFEPS-QZTJIDSGSA-N 371.481 2.999 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NCCc1csc(-c2ccncc2)n1 219855510 ITCFUVFHSURRAY-UHFFFAOYSA-N 367.430 2.835 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)CC1 39500101 XRTCKJAOZAPAGH-HXUWFJFHSA-N 363.521 2.567 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccsc1)C[C@@H]1CCCO1 215933096 MRZWRWPARCCSIA-KRWDZBQOSA-N 369.450 2.545 0 50 FFAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 72139176 HAEDIJVMEZMLDE-MRXNPFEDSA-N 369.465 2.853 0 50 FFAA FC(F)(F)c1ccc2oc(CN3CCN(c4cccnn4)CC3)nc2c1 126168794 NBWLXMFPJWUQIQ-UHFFFAOYSA-N 363.343 2.959 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)cc2)n1 237745578 WOTCTAMLQZLILK-KRWDZBQOSA-N 363.373 2.697 0 50 FFAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCC(Cc2cccnc2)CC1 378428488 ZJOBMLUXDDASBV-UHFFFAOYSA-N 361.449 2.821 0 50 FFAA Cc1nn(C)c2ncnc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c12 72478338 IHZCWUPQWPRSHD-UHFFFAOYSA-N 357.845 2.813 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCC(=O)N2 72432861 SHVWMWBDSNMTDK-UHFFFAOYSA-N 363.373 2.945 0 50 FFAA Cc1nnc(SCC(=O)N2CCC(OCc3cccnc3)CC2)s1 222710061 KQYSPRFPRNHMPV-UHFFFAOYSA-N 364.496 2.541 0 50 FFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN4C(=O)NC[C@@H]4C3)c2c1 176128159 UFBKNBLXMCYPME-OAHLLOKOSA-N 364.449 2.579 0 50 FFAA O=C(NC1CC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 17076636 ZAQVOIXDPXEAFA-RYUDHWBXSA-N 374.462 2.735 0 50 FFAA C[C@@H](C(=O)NCc1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 220395046 YZGINRCZBZSCGJ-KRWDZBQOSA-N 360.461 2.935 0 50 FFAA COc1ccc(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 223845554 YFQROUPHHGPXIQ-IRZJEQJZSA-N 367.445 2.801 0 50 FFAA O=C(CCc1ccc(O)cc1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220681402 VPGHTDMUGIWBAT-RKOYOZNISA-N 367.445 2.888 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(c1ncc(Cl)cc1F)C2 91966367 LTTXVQBXURDFCS-GOSISDBHSA-N 367.852 2.872 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c(C)o1 91664466 LJRIUXQWTDVINU-DOTOQJQBSA-N 353.422 2.668 0 50 FFAA CC[C@@H](NC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2)c1nc(C)no1 96151553 QJWLPTNBMRYQQK-SNVBAGLBSA-N 365.777 2.635 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)N1CCC(Cc2noc(C3CC3)n2)CC1 96138069 QBBHHKCQCUQVCC-UHFFFAOYSA-N 358.446 2.784 0 50 FFAA Cc1ncc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)c(C)n1 97674418 QXLLSHFNEGHDPF-UHFFFAOYSA-N 374.448 2.513 0 50 FFAA OCCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[C@@H]1N1CCOCC1 91410835 FZGDNCSBEDSSDN-RKCGTWKQSA-N 362.489 2.634 0 50 FFAA Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(Br)cc21 95802931 OFLUHKQXFAZABX-UHFFFAOYSA-N 373.206 2.866 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C)s1)C2 91966568 BWWQOTMAAKSQLL-LSDHHAIUSA-N 368.524 2.634 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2ccc3ccn(C)c3c2)N2CCOCC2)o1 95360102 VICNKRIYTLSNEP-IBGZPJMESA-N 367.449 2.883 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCN(c2ccc(F)c(Cl)c2)CC1 97785169 OODXSKHTVNXLDK-UHFFFAOYSA-N 367.852 2.530 0 50 FFAA CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2 91616979 XGHILXLYSBUXMI-UHFFFAOYSA-N 359.499 2.512 0 50 FFAA O=C(O)CCNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 238171633 WDXCFZYEOLDXIS-INIZCTEOSA-N 374.824 2.792 0 50 FFAA COc1cccc2c1nc(NC(=O)[C@@H]1CCCN1c1nccs1)n2C 184464664 RFUHQHDBZGAZMT-LBPRGKRZSA-N 357.439 2.646 0 50 FFAA COC(=O)c1cn(Cc2cccc(-c3nccs3)c2)cc2c(=O)[nH]nc1-2 263588359 SFUJQAVVCKLROA-UHFFFAOYSA-N 366.402 2.635 0 50 FFAA CCc1nnc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)s1 289951736 UXKBXDFEAIODGL-AWEZNQCLSA-N 362.455 2.980 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1cccc(-c2ccc(OC)nn2)c1 299770533 VGAOOQVNMRIWAC-UHFFFAOYSA-N 365.437 2.938 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 299776100 KJRXMQTWPBAGEN-MRXNPFEDSA-N 367.457 2.915 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc(O)c(Cl)c3)cc2C1 299773537 FKSACIWKSATIGB-UHFFFAOYSA-N 362.861 2.788 0 50 FFAA CNC(=O)Cc1nc(-c2ccc(F)c(F)c2)cc(-c2c(C)nn(C)c2C)n1 823825685 KRZLMDJBCJBLLX-UHFFFAOYSA-N 371.391 2.728 0 50 FFAA Cc1nnnn1CCC(=O)Nc1cc(Cl)ccc1N1CCC[C@@H](C)C1 822416787 RMDAIXFEVJAZKO-GFCCVEGCSA-N 362.865 2.900 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)N(C)Cc1nc2cc(C)c(C)cc2[nH]1 584884345 YYVSBELLGSNQDZ-CYBMUJFWSA-N 355.446 2.694 0 50 FFAA CN(C)C/C=C/C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 1875376826 JQNKPZUUCKEMMB-HVHJFMEUSA-N 353.507 2.646 0 50 FFAA C=CC(=O)N[C@H](CCN(C)C(=O)c1cc2nccnc2cc1F)C(C)C 1875386738 XTWMABQTZJHZDZ-OAHLLOKOSA-N 358.417 2.558 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc2ncccc2c1Cl 1875403009 OSXWPNYBETZMCQ-JCURWCKSSA-N 370.840 2.654 0 50 FFAA O=C(N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1)[C@]12CCC[C@@H]1C2(F)F 1875296130 GNNGCKVPNCUICB-YJBOKZPZSA-N 373.407 2.556 0 50 FFAA CC(C)n1ncc2cc(CN[C@H]3CCO[C@@H](c4cncn4C)C3)cnc21 275525099 LJHYRQZNKSBTIK-FUHWJXTLSA-N 354.458 2.756 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1cc(C(C)(C)C)n[nH]1 1073383672 FMOOVAHBBOOFGH-WBVHZDCISA-N 356.518 2.835 0 50 FFAA O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCS[C@H]2CCCC[C@@H]21 170656846 PMTQRYJXNAMOOZ-KBPBESRZSA-N 361.492 2.712 0 50 FFAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccccc1-n1ccnn1 189632559 SRVVRDZFYOOXDA-HNNXBMFYSA-N 365.412 2.757 0 50 FFAA CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 225389466 NSPGMTOIQNDSOV-SDDRHHMPSA-N 366.512 2.930 0 50 FFAA C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1nnnn1C1CC1 191661965 QGSFABYTHAUQIU-VIFPVBQESA-N 358.402 2.762 0 50 FFAA C[C@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(F)c2)no1 798179579 FZSPUNOVHGIHAL-IBGZPJMESA-N 353.353 2.739 0 50 FFAA CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)s1 1010674 HADUJACARYTABI-UHFFFAOYSA-N 358.423 2.747 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)CCN12 1529106336 MWYGQBRRDSAGSG-ZWKOTPCHSA-N 362.445 2.500 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@@H]2CC[C@H]1CN(C)C2 213036282 HLCUKQRMEXCTRC-QAPCUYQASA-N 356.445 2.794 0 50 FFAA Cc1cc2cccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)c2o1 1704298717 MFIRFDAINJQNBY-UZLBHIALSA-N 356.422 2.752 0 50 FFAA COc1ccc([C@@]2(C(=O)N(CCN(C)C)Cc3cnc[nH]3)CC2(C)C)cc1 1704307160 UXTCWFUGLMCDCT-OAQYLSRUSA-N 370.497 2.676 0 50 FFAA Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 1118584 ISQPZWRMHFKTHH-UHFFFAOYSA-N 372.490 2.759 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)o1 1772709942 KVKRLJTWEJRNJD-LJQANCHMSA-N 372.425 2.946 0 50 FFAA Cc1ccc(CCC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c(C)c1 1772708218 GGYTVRKBUCZCJA-FQEVSTJZSA-N 350.462 2.806 0 50 FFAA COC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 11690461 KYMVNWVCMSVJOT-UHFFFAOYSA-N 350.378 2.923 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)O)CC2 11766992 BWCUEKZNVWQRTD-UHFFFAOYSA-N 356.378 2.992 0 50 FFAA biogenic CN(Cc1nccs1)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 12022695 TWYRNJZCFAACKL-KRWDZBQOSA-N 371.506 2.973 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2)c1 12316334 VNFDGUFVMQYKNI-NRFANRHFSA-N 368.481 2.855 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12438551 DWPWLONMLOBOPI-OAHLLOKOSA-N 365.424 2.770 0 50 FFAA O=C(CCC1CCN(Cc2nc3ccccc3[nH]2)CC1)NC[C@@H]1CCCO1 12445007 WYISJUKYUJYXGV-KRWDZBQOSA-N 370.497 2.850 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2=O)c1 12445966 XTFQBVFCDGUHAU-OAQYLSRUSA-N 366.465 2.681 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)cc1 12466854 RHEAUOLKESHCOM-IBGZPJMESA-N 357.498 2.525 0 50 FFAA O=C1CC[C@@H](C(=O)N2CCCCO2)CN1Cc1cccc(C(F)(F)F)c1 12712617 UDLHKHHBEWCZNO-CQSZACIVSA-N 370.371 2.998 0 50 FFAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2ccnn2C)C1 14975303 LYPPZGBFNGQZRT-NRFANRHFSA-N 369.465 2.838 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3[nH]c(C)cc3C)CCC2=O)c1 14990052 MLFPGADTYSEMOO-UHFFFAOYSA-N 355.438 2.515 0 50 FFAA CCCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC 6700856 YADITURSRUEXSV-UHFFFAOYSA-N 359.245 2.844 0 50 FFAA CCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 4950792 RROPRWULNAVZTL-UHFFFAOYSA-N 364.442 2.543 0 50 FFAA CCCC(=O)N[C@H](Oc1cccc(C(N)=O)c1)C(Cl)(Cl)Cl 2701992 LLUCJYDDOTYOJO-GFCCVEGCSA-N 353.633 2.777 0 50 FFAA O=C(c1ncc(F)cc1F)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857666366 WAEJMNLNUDXWOP-VPWXQRGCSA-N 358.388 2.958 0 50 FFAA O=C(c1ccc(-c2ccccc2F)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669801 SVBFTENKINGBLG-LAUBAEHRSA-N 355.409 2.964 0 50 FFAA O[C@@H](CN1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1)C1CCNCC1 1857673575 VUSUFYUNKBCBAC-QFIPXVFZSA-N 368.525 2.540 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1ccnc3ccccc13)C[C@@H]2O 1857717409 OIGNJGJFSULVND-CWKRKGSWSA-N 360.457 2.804 0 50 FFAA O=C(C[C@H]1CCS(=O)(=O)C1)NCCOc1ccccc1-c1ccccc1 109203684 DRTODOCNXQRFTI-MRXNPFEDSA-N 373.474 2.673 0 50 FFAA NC(=O)CN1CCc2ccc(NC(=O)c3cc(F)cc(Cl)c3)cc2C1 433962576 PHOCHFCLRHSMCN-UHFFFAOYSA-N 361.804 2.575 0 50 FFAA CN(Cc1nnc(-c2ccco2)o1)[C@@H]1CCN(c2ccccc2F)C1=O 264869581 ROLRMQDWCWGANF-CQSZACIVSA-N 356.357 2.706 0 50 FFAA Cn1cc(NC(=O)CCc2ccc3c(n2)NCCC3)c(-c2ccccn2)n1 2325787536 GHKYCTCSMDZVPY-UHFFFAOYSA-N 362.437 2.807 0 50 FFAA Cc1csc(C2(NS(=O)(=O)C[C@@H]3CC[C@@H](C)CO3)CCCC2)n1 2325803477 JKTUVCCQSFVCEP-OCCSQVGLSA-N 358.529 2.955 0 50 FFAA CC1(C)CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC(C)(C)N1 2325827787 QKSQHRJUDCWBIR-CQSZACIVSA-N 368.319 2.828 0 50 FFAA COc1ccc2c(n1)N[C@@H](C(=O)Nc1ccc(-n3cnc(C)c3C)cc1)C2 2325840931 YFFJVRYGIYWHST-QGZVFWFLSA-N 363.421 2.868 0 50 FFAA Cc1[nH]nc2cc(C(=O)N3C[C@H]4CC[C@H]3CN4C(=O)c3ccoc3)ccc12 2325879790 IDPHQQBRZZVTDP-JKSUJKDBSA-N 364.405 2.594 0 50 FFAA NCC[C@@H]1CN(Cc2ccc(OCC(F)(F)F)nn2)c2ccccc21 923556611 XJTFRTPTZWOELD-GFCCVEGCSA-N 352.360 2.870 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cnc3c(c2)CCCC3)C1=O 2356149817 WDPZKRQENDPNQD-OAQYLSRUSA-N 355.482 2.968 0 50 FFAA CS(=O)(=O)Cc1nc2ccc(Oc3ccc(Cl)cc3)cc2c(=O)[nH]1 225423182 CZFHJJSXMOCEIC-UHFFFAOYSA-N 364.810 2.913 0 50 FFAA CN(C)C[C@H]1[C@@H]2CN(c3cc(-c4ccccc4F)nc4ccnn34)C[C@H]12 102278503 UDSDEHQTDIPTML-PHZGNYQRSA-N 351.429 2.779 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 10302261 PSAGIOKVBSOEDH-JTQLQIEISA-N 365.282 2.994 0 50 FFAA COc1ccccc1[C@@H](C)N1CCN([C@H]2COc3ccccc3[C@@H]2O)CC1 225718210 YIZZSMDIJWTOMK-WVBUVRCRSA-N 368.477 2.868 0 50 FFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 101519807 XOCJJQKBMZIPPL-RYUDHWBXSA-N 366.339 2.985 0 50 FFAA Cc1ccc(OC[C@H](O)CN2CCC[C@H]2c2nnc3ccccn23)c(C)c1 247813343 ARPOMOXHRXZTCB-MSOLQXFVSA-N 366.465 2.923 0 50 FFAA OCC1CCN([C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)CC1 20538682 BZXHDMJLSROGFE-OAQYLSRUSA-N 354.498 2.541 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(C)s2)cc1NC(C)=O 10230974 RWQNJJPSLUQACW-UHFFFAOYSA-N 352.441 2.544 0 50 FFAA O=C(NC[C@H](O)c1ccccc1)c1cc(COc2ccccc2F)[nH]n1 67947160 QASVRKDNQUCIAT-KRWDZBQOSA-N 355.369 2.591 0 50 FFAA O[C@H]1CN(Cc2ccc(C3CCCCC3)s2)C[C@@H]1N1CCOCC1 20168748 RYXWZZDYJFSLIH-ROUUACIJSA-N 350.528 2.673 0 50 FFAA Cc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(C)c1 67604887 LNKCVQMODBUUPT-UHFFFAOYSA-N 353.470 2.844 0 50 FFAA COC(=O)N1CCC([C@@H](C)NC(=O)c2oc(CC(C)C)nc2C)CC1 252496553 PLGDAMILXWVGMH-GFCCVEGCSA-N 351.447 2.778 0 50 FFAA Cc1ccc(-c2cc(O)c3c(c2)CN(CCN2CCOCC2)CCO3)s1 67843561 JCZCZYWNNFFUCQ-UHFFFAOYSA-N 374.506 2.956 0 50 FFAA Cn1cnc(-c2ccc(NC(=O)N3CCCC[C@H]3c3ccnn3C)cc2)n1 282067628 WNQPXFSBIJEFEY-KRWDZBQOSA-N 365.441 2.975 0 50 FFAA CC1CCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC(C)CC2)CC1 2745443 PTGCFDSZPPWJOJ-UHFFFAOYSA-N 352.372 2.774 0 50 FFAA CNC(=O)c1cccnc1N[C@@H]1CCCN(CCCc2ccccc2)C1 72434458 RZPOFAJGXGYPOT-GOSISDBHSA-N 352.482 2.950 0 50 FFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(Cc2ccc(OC)nc2)CC1 328652325 WIOMPIHWYZUJTO-QGZVFWFLSA-N 359.474 2.658 0 50 FFAA O=C1CCCCN1CCCC(=O)N1CCC(OCc2ccccc2)CC1 77389243 NZJOEECELYISSP-UHFFFAOYSA-N 358.482 2.987 0 50 FFAA Cc1nnc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)nc1C 330043886 HOCAUQYMTNPVEW-AWEZNQCLSA-N 367.222 2.968 0 50 FFAA CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCc1nnc2n1CCC2 219764869 ZPKHKWNEPAVIOM-CYBMUJFWSA-N 357.439 2.553 0 50 FFAA CC1=NN(c2ccc(C(=O)NCc3ccc(-n4ccnc4)nc3)cc2)CC1 363216441 QRCCFEWJRKDKED-UHFFFAOYSA-N 360.421 2.783 0 50 FFAA CCc1n[nH]c([C@H]2CN(C(=O)Nc3ccccc3N3CCCC3)CCO2)n1 154433478 KNPVLUZZYJVCIE-MRXNPFEDSA-N 370.457 2.573 0 50 FFAA Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(CC(C)C)CC(C)C 72163606 WVRPAIGDQLQGNW-HXUWFJFHSA-N 373.541 2.826 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1Cc1cnc(NCc2ccccc2)nc1 77340322 KHVDELRWKJPCRG-FQEVSTJZSA-N 367.497 2.969 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 174303956 NHAFRQLJTBFHCC-LJQANCHMSA-N 369.513 2.843 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2cccc(OCc3cccs3)c2)CCO1 262436951 LZQWHZBOHDTZCB-OAHLLOKOSA-N 361.419 2.643 0 50 FFAA CC1CCN(C(=O)c2ccccc2NC(=O)c2ccnc(C(=O)O)c2)CC1 262647797 RIFLXNXXFIKWPY-UHFFFAOYSA-N 367.405 2.904 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 72143563 VKUQUJPHGJGPIR-UHFFFAOYSA-N 371.400 2.512 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NC[C@H]3CCCN(C(C)C)C3)CC2)c1 78524194 GOWJRLXLXJZVGO-OAQYLSRUSA-N 372.557 2.943 0 50 FFAA Cc1ccc([C@H](CNC(=O)OCC(F)(F)F)N2CCOCC2)s1 175357816 BYEFFFWJOHXDCZ-NSHDSACASA-N 352.378 2.718 0 50 FFAA C[C@@H](C(=O)NCc1ccc(C(=O)N(C)C)cc1)n1cnc2ccccc21 46674248 PPVMNNYCTJAIIJ-AWEZNQCLSA-N 350.422 2.616 0 50 FFAA Cc1ccc(C(=O)NCCNC(=O)c2nc(-c3ccc(C)cc3)no2)cc1 20394209 PHEQANHIGNLQBU-UHFFFAOYSA-N 364.405 2.513 0 50 FFAA CC1(C)C[C@H](CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CCO1 82099483 PEMYZXBNIYDAJZ-MRXNPFEDSA-N 374.529 2.710 0 50 FFAA CSc1ccccc1C(=O)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82161405 QMTQVTMRIUCNFA-UHFFFAOYSA-N 366.446 2.774 0 50 FFAA COc1nc(C)c(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)s1 82139148 VRNPCDMJAWNSTF-UHFFFAOYSA-N 365.842 2.603 0 50 FFAA CCCc1nnc(S)n1CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 160556904 BRLAUPUBVBBBSX-CYBMUJFWSA-N 352.504 2.517 0 50 FFAA O=C(Cn1ccc2ccccc21)N[C@@H]1COCC[C@@H]1OCc1cscn1 222563942 NGCRZBWNUCNJBS-AEFFLSMTSA-N 371.462 2.588 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1 426415285 GRWYTDQFAIMQSV-UHFFFAOYSA-N 366.509 2.919 0 50 FFAA CN1C(=O)CC[C@H]1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 329299992 VIHURXOKYITNFK-INIZCTEOSA-N 370.478 2.532 0 50 FFAA CN(C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3ccc(O)cc3F)cc2)C1 426647853 BAJVKZUJQZKUPX-OAQYLSRUSA-N 372.440 2.727 0 50 FFAA CCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1NC(C)=O 82109385 AZMOXAFDVVTYKC-VQIMIIECSA-N 356.470 2.822 0 50 FFAA CC(C)n1cnnc1CCNC(=O)N(C)CCn1ccc2ccccc21 426421354 XCEKRRVTDLGIGZ-UHFFFAOYSA-N 354.458 2.698 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC3(CCO3)CC2)c1 96150806 BVETYOYHNPRUGE-UHFFFAOYSA-N 367.833 2.712 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)s1 95353253 VTCVNTUHBIYQQK-IFXJQAMLSA-N 372.446 2.538 0 50 FFAA Cc1noc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 91724804 UAPQEUJYWJDRLA-HNNXBMFYSA-N 356.426 2.513 0 50 FFAA CCc1c(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)[nH]c2ccccc12 91896727 LDKPGPRSAUDAFF-HZPDHXFCSA-N 355.482 2.507 0 50 FFAA Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)ccc2F)cc1N(C)C 162108941 PDEHYNSPMHAMGW-UHFFFAOYSA-N 366.414 2.723 0 50 FFAA CN1C(=O)C2(CCN(C(=O)CC[C@H]3CCCCN3C)CC2)c2ccccc21 95368238 LYQSNVUEHGSSNS-QGZVFWFLSA-N 369.509 2.788 0 50 FFAA COc1ccc(Cn2cc(-c3ccc(CS(C)(=O)=O)cn3)cn2)cc1 97436906 NHXZCAAXEWCKFL-UHFFFAOYSA-N 357.435 2.547 0 50 FFAA CC1(C)CN(Cc2ccccc2Cl)CC[C@]1(O)CN1CCOCC1 91526676 STSIFPNIAWRMBB-IBGZPJMESA-N 352.906 2.635 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)NCC1CCN(Cc2ccccc2)CC1 96137422 ZYIWPSYZASBMIW-UHFFFAOYSA-N 354.498 2.988 0 50 FFAA O=C(NCc1cccc(N2CCCC2)c1)c1coc(CN2CCOCC2)c1 95362389 QUHHWLKHCFVCBO-UHFFFAOYSA-N 369.465 2.642 0 50 FFAA CCSCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1 91726063 QXIOGXPHJSXOEC-NSHDSACASA-N 356.875 2.571 0 50 FFAA COc1ccccc1COc1cccc([C@@H](C(=O)O)N2CCOCC2)c1 95362585 LNQRFWIGMZLANE-IBGZPJMESA-N 357.406 2.732 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccc(N(C)C)cc1)CC2 91871773 WRNMGFDZGZXDAM-UHFFFAOYSA-N 371.525 2.936 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)[C@H]1COc2ccccc2C1 91943663 YUEXWHZHZNUYAB-MRXNPFEDSA-N 360.523 2.714 0 50 FFAA O=C(CCc1nc2cc(F)ccc2[nH]1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244794785 QTKZAWXITNWLCR-HKMRUAMVSA-N 368.412 2.658 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c3c2COCC3)cc1 244719146 LXXCCYITNLSCRE-SFHVURJKSA-N 354.454 2.521 0 50 FFAA COCCN1C[C@@H](CNC(=O)c2cccc(-c3ccc(F)cc3)c2)CC1=O 252482040 CXBFZYNBWFDSLN-OAHLLOKOSA-N 370.424 2.717 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1scc2c1OCCO2 299769857 JMKXDLGXMLJBAW-CYBMUJFWSA-N 358.463 2.696 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCN(C(=O)c3cccs3)CC2)N(C)C)cc1 823646318 ZRQKFCNKCMEVOP-GOSISDBHSA-N 371.506 2.644 0 50 FFAA CCN(C(=O)c1ccnc2c(C(F)(F)F)cccc12)[C@H](C)C(=O)NC 1875312999 VQSBEGAXIUFGGT-SNVBAGLBSA-N 353.344 2.850 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2Cc2cccc(F)c2F)CC1 1875367787 NBOVSMKRDBGNFC-INIZCTEOSA-N 362.420 2.923 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ccoc1 1875402606 IPIGLZJVUIKJJT-ZTFGCOKTSA-N 351.406 2.713 0 50 FFAA COC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2CC2CC2)[nH]1 952891248 YTSBPORJRAAYRM-OAHLLOKOSA-N 356.426 2.631 0 50 FFAA CCc1nc(N)cc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)n1 952887526 RBPYBZFRNKMBIY-CYBMUJFWSA-N 358.515 2.569 0 50 FFAA Cc1ccc([C@@H](C)c2noc(CN3CCCC4(CC4)S3(=O)=O)n2)o1 1875290959 JXFSCBQMUVTSSV-GFCCVEGCSA-N 351.428 2.581 0 50 FFAA COC(=O)[C@@H]1COC2(CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)C1 1875299164 BFISGDAARXOCPL-KRWDZBQOSA-N 374.481 2.793 0 50 FFAA COc1cccc(CCC(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)c1 952972563 SXKAUVBWPFQYDE-CYBMUJFWSA-N 367.405 2.711 0 50 FFAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H](c1cccc(F)c1)N(C)C 952987661 PCQFRXRPEBWRPQ-LJQANCHMSA-N 372.444 2.567 0 50 FFAA Nc1nc2c(c(C(=O)N(Cc3ccsc3)C[C@@H]3CCCO3)n1)CCCC2 952971430 SIYLVLRGWHHYCD-AWEZNQCLSA-N 372.494 2.821 0 50 FFAA CCCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ccccc2SCC)[C@@H]3C1=O 952869074 VZRUVXLPGXLZAD-REGYPHIPSA-N 372.490 2.929 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3c[nH]nc3C(C)(C)C)C2)ccn1 886056866 AFEIYLPLDVXTKN-SFHVURJKSA-N 357.502 2.817 0 50 FFAA CC(=O)N1CC(OCc2nnc([C@@H](C)Oc3cccc(Cl)c3)o2)C1 888076724 QBHCFVPBOYBVRG-SNVBAGLBSA-N 351.790 2.610 0 50 FFAA COc1ccc(Cl)cc1[C@H](O)CNC(=O)c1c(C2CCC2)cnn1C 888100713 KIEFFJTXRUHEOA-OAHLLOKOSA-N 363.845 2.813 0 50 FFAA Cc1nc(C)n(C[C@@H]2CN(Cc3csc(C(F)(F)F)c3)CCO2)n1 888100625 VONYRIFSUVPJRO-ZDUSSCGKSA-N 360.405 2.876 0 50 FFAA Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCN(c2cnn(C)c2)C1=O 190993750 YMCYNGTXKKABJD-OAHLLOKOSA-N 352.360 2.642 0 50 FFAA COCc1cccc(NC(=O)NC2CCN(C3CCN(C)CC3)CC2)c1 195343567 RMGBGDAUHLJGJT-UHFFFAOYSA-N 360.502 2.513 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(F)c(Cl)c1)C2 213302863 MXJUXOYCTBTFAC-KGLIPLIRSA-N 352.837 2.881 0 50 FFAA CC(C)n1nccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704354167 UXAUHDHRVQFJJA-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)on1 1704345460 YVDQRZCEJPCVIH-OWCLPIDISA-N 357.454 2.685 0 50 FFAA CC(C)Oc1cccc(CCNc2ccc(C(=O)N3CCOCC3)cn2)c1 1704311671 PFTNPEACCLRZRQ-UHFFFAOYSA-N 369.465 2.996 0 50 FFAA O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCC1 827462 KOZNWORJMABMQT-UHFFFAOYSA-N 362.426 2.643 0 50 FFAA OC1([C@@H]2CCCN2Cc2ccccc2OCCCCN2CCOCC2)CC1 1772819872 WKDGPMANOCKVDW-NRFANRHFSA-N 374.525 2.667 0 50 FFAA CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(c2ccnc(O)c2)CC1 1775978362 MXPZKWJORXDDPC-IBGZPJMESA-N 353.466 2.666 0 50 FFAA CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC 5820134 SFZZRGHNPILUOD-CYBMUJFWSA-N 368.363 2.711 0 50 FFAA in-vitro CC(C)(CO)CNC(=O)c1cc(COc2ccc(F)cc2Cl)on1 11817170 JXFMUWYLAWSFDY-UHFFFAOYSA-N 356.781 2.794 0 50 FFAA CN1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 12381174 PTSRPNMSSNJGCB-UHFFFAOYSA-N 355.276 2.817 0 50 FFAA CC(=O)NCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 12386535 UWINFEYXTZIRPI-HXUWFJFHSA-N 366.461 2.572 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSC)C1 15063880 SKVXBHLBFRHKRK-MRXNPFEDSA-N 350.528 2.771 0 50 FFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)no1 19079836 MCRQOYBJRIPKPD-LBPRGKRZSA-N 350.425 2.514 0 50 FFAA COc1ccc(-c2cnnc(N3CCN(c4cccc(C)n4)CC3)n2)cc1 19146904 LZMVAYNXCPVGJU-UHFFFAOYSA-N 362.437 2.577 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](N(C)CCc2ccccc2)C1 19228775 YDQGAVINSNCOOF-IBGZPJMESA-N 370.497 2.725 0 50 FFAA Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccncc5)n4)c3CO2)cc1 169769434 RVRZDNYCNVKSJC-MRXNPFEDSA-N 360.377 2.970 0 50 FFAA Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1C 169772762 ZXMRPLXISMEKKQ-LLVKDONJSA-N 355.423 2.628 0 50 FFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCC(C)C)c(OC)c1 913293 FLNIRCHGBZBYER-KRWDZBQOSA-N 362.426 2.921 0 50 FFAA Cc1nc(-c2cccc(C(=O)N[C@@H]3CCCc4c3c(C)nn4C)c2)no1 1857681076 XBYQGHCBIVNKFN-OAHLLOKOSA-N 351.410 2.894 0 50 FFAA CC(=O)c1ccc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)nc1 1857684146 AQNDNRULQFUUEN-FQEVSTJZSA-N 351.406 2.538 0 50 FFAA Cn1cc(Cl)c(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)n1 1857695844 AVBRVPHEFHCSFP-ZBQZNYHESA-N 373.840 2.764 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@H]1CCc3c[nH]nc3C1)OCCO2 1857698905 ANMAJZMGHXEUIU-ZDUSSCGKSA-N 352.394 2.783 0 50 FFAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3c(F)cccc3Cl)C[C@H]2CO1 1857733499 MJQIRIMQDXAFOG-IHRRRGAJSA-N 365.836 2.739 0 50 FFAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857736709 RSKGCTDXZSZWRD-ODULNIPZSA-N 366.461 2.659 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@](O)(C(F)(F)F)C2)ncn1 328639480 PODQKWHSNFONGD-UHOFOFEASA-N 374.407 2.596 0 50 FFAA CCn1cc(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2ccccc21 131667517 TXGYOGWSUANVCM-FQEVSTJZSA-N 361.445 2.643 0 50 FFAA Fc1ccc2c(c1)CCN2Cc1nnnn1-c1ccc(OC(F)F)cc1 801593561 FONKNDBTFXPHHT-UHFFFAOYSA-N 361.327 2.966 0 50 FFAA C[C@H](Cc1cncc2ccccc12)C(=O)N[C@@H](C(=O)O)C1(O)CCCCC1 2325803162 UPDSWHGQSBHEJO-KDOFPFPSSA-N 370.449 2.678 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)CCCc2ccc(F)cc2)CC[C@@H]1O 2356140912 RLLSRZQMTUTEOI-QFBILLFUSA-N 351.418 2.613 0 50 FFAA COc1cccc(OC[C@H](O)Cn2nc(C)c(Br)c2C)c1 4313943 BGCDBVQLRVCQBJ-GFCCVEGCSA-N 355.232 2.711 0 50 FFAA CN(C)[C@H](CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1Cl 416842091 IQRPNPVMGOGLAM-ZWKOTPCHSA-N 360.889 2.942 0 50 FFAA COc1ccc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 20249266 HPHWGMQUDPEDLQ-VMPITWQZSA-N 365.477 2.965 0 50 FFAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H]2C=C[C@H]1C2 100628660 BPSFGVUEBIZPAP-PYTWLRIVSA-N 360.841 2.512 0 50 FFAA CCCN(Cc1ccccc1OC)C(=O)c1cccc(OCC(N)=O)c1 55242393 ILJFAIWGJYJKLJ-UHFFFAOYSA-N 356.422 2.612 0 50 FFAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 27973286 RPVXQKAYGXGZRR-INIZCTEOSA-N 368.433 2.873 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCCc3nnc(N)s3)c2c1 65407204 DHXRSTOCAFABLA-UHFFFAOYSA-N 357.483 2.818 0 50 FFAA Cc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)C[C@@H]1CCO 20449142 AOENMNDFDSCWFZ-QFIPXVFZSA-N 359.558 2.736 0 50 FFAA O=C1C[C@H](c2ccc(Sc3ncn[nH]3)o2)c2cc3c(cc2N1)OCO3 65387797 RKFVSTWWOFOLLQ-VIFPVBQESA-N 356.363 2.752 0 50 FFAA CCCCOc1ccccc1C(=O)N1CCC2(CC1)CN(C)CCN2C 67847237 GIZLMFRLMVKVCK-UHFFFAOYSA-N 359.514 2.718 0 50 FFAA Cc1c(C(=O)N2CCCC[C@@H]2CCn2ccnc2)cnn1-c1ccccn1 65403797 XAMZWBBBXMTPAW-QGZVFWFLSA-N 364.453 2.857 0 50 FFAA CCc1cc(C(=O)N(Cc2ccc(OC)c(OC)c2)[C@H](C)COC)on1 63856663 YJLDHGRIHSDTHN-CYBMUJFWSA-N 362.426 2.932 0 50 FFAA CCN1CCC[C@@H](CN(C)[C@@H]2Cc3ccccc3[C@H]2O)[C@@H]1c1cnn(C)c1 328641281 QOHSZGPSLPBETR-ZHNGQKSSSA-N 368.525 2.783 0 50 FFAA NC(=O)c1cccnc1N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 72150099 OHCBXCBWDBZYLE-NRFANRHFSA-N 368.456 2.812 0 50 FFAA Cc1ccccc1C1(CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)CC1 153994886 PIBSAWGAKCKFCF-KRWDZBQOSA-N 355.413 2.692 0 50 FFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccccc1N1CCOCC1 367902936 YFTOPCWWMIJSIT-FOIQADDNSA-N 367.449 2.845 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc4nonc4c3)C2)c1 77342606 OTRCENAHTPLFAE-CYBMUJFWSA-N 353.378 2.870 0 50 FFAA COc1ccc(OC)c(-c2nc(CN(C)Cc3cnc(N)nc3)c(C)o2)c1 71758973 JFELMHFAVVIDKO-UHFFFAOYSA-N 369.425 2.671 0 50 FFAA Cc1cccnc1CN1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71551826 XCTLTXVSZPWCCO-IBGZPJMESA-N 370.541 2.689 0 50 FFAA CN1CCC(C)(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 378560636 NLVGTICGPTUJNW-GOSISDBHSA-N 357.498 2.529 0 50 FFAA COCCc1noc([C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 72159307 NPXFBRIZMIHVRN-ZDUSSCGKSA-N 357.414 2.621 0 50 FFAA C[C@@H](CCn1cccn1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 158695278 DYUIBMDCHQGKIB-INIZCTEOSA-N 357.454 2.728 0 50 FFAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)CSCC(=O)O 17075064 IMVKMSSHCGGAMU-UHFFFAOYSA-N 365.432 2.958 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72406913 SLCYVIKRJMPJSZ-KRWDZBQOSA-N 356.470 2.538 0 50 FFAA CC[C@H]1CN(C(=O)c2ncccc2OC)CCC(=O)N1Cc1ccccc1 71419105 QTISFLIBSDLRGI-KRWDZBQOSA-N 367.449 2.744 0 50 FFAA CC(C)CN1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)[C@H](C)C1=O 72433868 SOWGIQTVGHOUFZ-MRXNPFEDSA-N 360.498 2.719 0 50 FFAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cn1cc(Cl)cn1 287937111 HKPCCZKYVNVMKQ-UHFFFAOYSA-N 361.877 2.697 0 50 FFAA CCCOC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 82108241 MHSYTNXBQVOSIM-IBGZPJMESA-N 360.458 2.536 0 50 FFAA CCc1n[nH]c(SCC(=O)N2CCCN(c3ccccc3C)CC2)n1 223180092 PQYODYCQXIYAKL-UHFFFAOYSA-N 359.499 2.507 0 50 FFAA Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)c2cccc(C)c2n1 82139018 GTDGPYIWTKUHQW-LJQANCHMSA-N 359.429 2.904 0 50 FFAA CN(C(=O)c1csc(-c2cccs2)n1)C1CCS(=O)(=O)CC1 82147969 ZLZLGNCRXSWPHL-UHFFFAOYSA-N 356.494 2.521 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(Cc2ccco2)C1 95354567 AWMABKLCOSODBK-INIZCTEOSA-N 366.421 2.858 0 50 FFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 95360481 DEMQJULPFSYFAA-KRWDZBQOSA-N 367.449 2.851 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2=O)c1 95367639 AUNCVHORRKPAAG-QGZVFWFLSA-N 368.481 2.747 0 50 FFAA CC[C@@H](O)Cn1nc(Cc2ccccc2OC)nc1-c1ccc(C)n1C 96180287 WUACRZJZZQRQKZ-MRXNPFEDSA-N 354.454 2.962 0 50 FFAA CN(C)C(=O)CCc1cccc(NC(=O)NCCC23CCCN2CCC3)c1 95497604 QETOYWPTKAHTJU-UHFFFAOYSA-N 372.513 2.847 0 50 FFAA CCCN1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 95504687 KLFHIHHVKRVJQV-UHFFFAOYSA-N 367.921 2.885 0 50 FFAA Cc1ccc2c(C)cc(N3CCC4(CC3)NC(=O)C[C@H]4C(=O)O)nc2c1C 95381099 MLTDZQOOWOZGDE-INIZCTEOSA-N 367.449 2.720 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)CSc2ccncc2)C[C@H]1C(=O)O 91536938 IHDHBOMDCPZTEC-JKSUJKDBSA-N 372.446 2.509 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCN(c3cccc(O)c3)CC2)N(C)C)c1 95365576 QXTPQCRVOIIXTB-HXUWFJFHSA-N 353.466 2.652 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2c2nc(C)no2)cn1 92061744 SKJPKWUGBPANOP-INIZCTEOSA-N 367.409 2.940 0 50 FFAA Cn1nnc(-c2ccc(NC(=O)N(CC3CCC3)C[C@@H]3CCCO3)cc2)n1 96133817 SSWLXCHJUGYBAE-KRWDZBQOSA-N 370.457 2.690 0 50 FFAA CCCc1cnc(C)nc1N1CCC(c2nnc(CN(C)C)n2CC)CC1 96130656 MIEOLKINXRPPIQ-UHFFFAOYSA-N 371.533 2.795 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccc3nc(C)[nH]c3c1)C2 95381444 JOUKSCLPPXBRRN-HNNXBMFYSA-N 351.406 2.747 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc23)no1)C(=O)O 252552895 VEWGJRXPIOULQD-APPDUMDISA-N 370.409 2.766 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N[C@H](c3nccn3C)C(C)C)c2c1 252495650 OVAHZSCFACGIJB-KRWDZBQOSA-N 356.426 2.540 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 299749482 KMOPJIKNQUWDKJ-WMLDXEAASA-N 372.446 2.624 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1 102259705 HAKQLDKCMJHDHN-ZNIXKSQXSA-N 363.435 2.949 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)NCc2ccc3c(c2)nc(C)n3C)c1 824583618 GLMLMIMIPZVGJP-UHFFFAOYSA-N 353.378 2.519 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2nc3c(s2)C[C@H](C)CC3)C1 1875379363 RGRUYMCXVWRNKZ-RDBSUJKOSA-N 361.511 2.870 0 50 FFAA COCCn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCC12CCC(CC1)C2 1875393597 QACTWAGCWBHLNN-JXXRKRQZSA-N 357.498 2.894 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2)C1 1875371276 VUKQVDOWAZZGTH-IAGOWNOFSA-N 373.472 2.644 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@H](C(F)(F)F)[C@H]2C)cc1 1875302811 IASRROGWOIABIH-ABAIWWIYSA-N 356.344 2.627 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@@H](N)c3cscn3)s2)cs1 1875345852 KHPUDHDOKYFRCO-ZDUSSCGKSA-N 350.494 2.953 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](NCc2cccc3nsnc23)C12CCC2 1875404924 CGNTXEINGVZSSF-SHPPOPEUSA-N 356.495 2.864 0 50 FFAA Cc1cn(C)cc1C(=O)NC[C@H]1CC2(CCC2)CN1C(=O)C1CC(C)C1 1875408381 UYEAWRIPWXHHEP-BDVYOWHSSA-N 357.498 2.881 0 50 FFAA C[C@H](NC(=O)[C@H]1NCCc2nn(C)cc21)c1ccc(C(F)(F)F)cc1 1875287421 KAPKDJGUVSOJSX-BONVTDFDSA-N 352.360 2.503 0 50 FFAA CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ncc2c(O)nccn12 1875290175 CSPNJZPSADATOY-UHFFFAOYSA-N 361.446 2.518 0 50 FFAA Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c2cnn(C3CCCC3)c2n1 888103912 KMOCLKZLPRYYQG-UHFFFAOYSA-N 350.426 2.776 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952874033 SUDVQSTZEIVCNQ-SFHVURJKSA-N 352.438 2.784 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCC(=O)Nc2ccccc2)cn1 952989326 QBEGEMDPYSTKGS-UHFFFAOYSA-N 364.405 2.640 0 50 FFAA Cc1ncsc1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565526955 KPYKRDNTEMKOTC-IRXDYDNUSA-N 360.479 2.875 0 50 FFAA Cc1c[nH]c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)c(C)c1=O 1565529777 XIOYMQICRZKRJN-HKUYNNGSSA-N 365.477 2.728 0 50 FFAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccccc1S(=O)(=O)Cc1ccccc1 1074628237 NBWCZDCKRNKGSM-CGTJXYLNSA-N 371.458 2.568 0 50 FFAA Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2CCCc3c(O)cccc32)c1 190293298 DTEHIQUPAVVGNU-GOSISDBHSA-N 352.434 2.933 0 50 FFAA COCc1nc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)no1 225398739 PUDJOIDCJPJJKT-GXFFZTMASA-N 357.332 2.543 0 50 FFAA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc2c1CCC2 194331608 GRDZHUQMYDPVCQ-UHFFFAOYSA-N 350.418 2.900 0 50 FFAA O=C(c1cccs1)N1C[C@@H]2OC(=O)N(CCc3ccc(F)cc3)[C@@H]2C1 211508191 RFFFHEDLRROGEZ-CABCVRRESA-N 360.410 2.775 0 50 FFAA CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1 835364 QTCQFVCPRYOSOW-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N(CC1CCC1)C[C@H]1CCCO1 11874187 UKRUCCVIUMFEBJ-GOSISDBHSA-N 372.444 2.887 0 50 FFAA COc1ccccc1NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl 13571488 WLUZFBCJUFIJHU-SNVBAGLBSA-N 370.689 2.814 0 50 FFAA CCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1 16115135 ZHALKCIVUAXSSA-VBKFSLOCSA-N 364.430 2.550 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CC1 16604318 SSDVPGBXLPLLEV-UHFFFAOYSA-N 356.447 2.782 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccnc3)CC2)c1 16607429 UAHICKPPBCIFGX-UHFFFAOYSA-N 373.478 2.738 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CCn2cnc3ccccc32)c1C 1857668304 HIJBFNPUCJUNKQ-UHFFFAOYSA-N 368.437 2.930 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2cncc(Cl)c2)[C@H]1c1ccccc1 1857689293 MQSOXQKINRVXEM-ROUUACIJSA-N 359.857 2.879 0 50 FFAA C[C@H]1CN2C[C@H](N=c3[nH]c(-c4ccccc4)nc4ccccc34)C[C@H]2CO1 1857696264 UGRIPDCAUCYOLA-JQHSSLGASA-N 360.461 2.992 0 50 FFAA CCOc1cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)ccc1OCCn1ccnc1 1857702788 CPTDQUVAWYTONE-BWTSREIZSA-N 371.481 2.564 0 50 FFAA C[C@H](O)c1nc(CCCCc2nc3ccccc3s2)n(CCCO)n1 1857726806 CZRUIZWGWIRTIL-ZDUSSCGKSA-N 360.483 2.889 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3)c1ccc(Cl)cc1 1857733998 JHALGDAEPKCIAL-JRBPQWBISA-N 360.885 2.959 0 50 FFAA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@H](Nc2ccc3nccn3n2)C1 329103111 NOZJGFNPBLNQLN-MLHJIOFPSA-N 367.497 3.349 0 50 FFAA Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccn[nH]3)CC2)C(C)C)c1 125725335 YSQXYLSYMMSDLN-LJQANCHMSA-N 368.481 2.879 0 50 FFAA CNC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 237303950 ZXGMYVDDVKWJBH-NWDGAFQWSA-N 373.266 2.814 0 50 FFAA CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1C1CC1 252498793 RLHCVQGJCNGFDH-UHFFFAOYSA-N 360.439 2.677 0 50 FFAA Cn1ccc(N2CC[C@@H](N=c3cc[nH]c4ccc(Br)cc34)C2)n1 2325733096 YYTFGKHTHMLDOF-CYBMUJFWSA-N 372.270 2.844 0 50 FFAA Cc1[nH]c(-c2ccccc2)cc1C(=O)N1C[C@@H](C(=O)O)Cc2c1cnn2C 2325803197 WXXWYJPUSYEPIZ-AWEZNQCLSA-N 364.405 2.627 0 50 FFAA CC(C)C[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)C(F)(F)F 2325820570 BWPRHCHSLGHKSS-AWEZNQCLSA-N 365.417 2.942 0 50 FFAA CN1CCN(c2cccc(C(=O)Nc3cc(Cl)cc4cn[nH]c34)n2)CC1 2325857887 SPWGSIHKIYBAKT-UHFFFAOYSA-N 370.844 2.615 0 50 FFAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)C1 2356141992 YYGRHEUYCWHSAV-IBGZPJMESA-N 358.413 2.910 0 50 FFAA Cc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1 2811834 RRLQWCBZANOBDY-UHFFFAOYSA-N 350.484 2.842 0 50 FFAA COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)c(OC)c1 4386319 GAYYJDAIMVZESH-UHFFFAOYSA-N 372.421 2.851 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 100618940 SVVYZWDLOZVVPB-LJQANCHMSA-N 365.433 2.576 0 50 FFAA CC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 248448618 XNEGNULDXBCCKK-VXGBXAGGSA-N 353.410 2.915 0 50 FFAA CSc1ncc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cn1 22851282 KNYLDDGDGRPFDN-IBGZPJMESA-N 372.538 2.576 0 50 FFAA Cc1nn(C)c2c1[C@@H](c1cccc(OCCCn3ccnc3)c1)CC(=O)N2 65403488 PZPDUWZAINOYPG-QGZVFWFLSA-N 365.437 2.868 0 50 FFAA C[C@]1(C(=O)Nc2cccc(NC(N)=O)c2)CCCN1C(=O)c1ccccc1 116720467 OWPYHXOUPRLSPY-HXUWFJFHSA-N 366.421 2.811 0 50 FFAA O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CC12CCNCC2 136851094 WKECOZNGAWMZPO-GFCCVEGCSA-N 357.435 2.867 0 50 FFAA CCn1nc(C)c(NC(=O)CN(Cc2c(C)nn(C)c2C)C(C)C)c1C 65535239 LKMVKJBSJYSZGX-UHFFFAOYSA-N 360.506 2.719 0 50 FFAA CCn1nc(C)c(NC(=O)CN[C@@H](C)c2ccccc2-n2cccn2)c1C 65488865 VMKBXGRVLCDCFZ-AWEZNQCLSA-N 366.469 2.995 0 50 FFAA Cn1c(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc2ccccc21 20722871 IKNLZBRJWVFUOJ-UHFFFAOYSA-N 365.408 2.916 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)Cc1cn2ccsc2n1 77378068 KDWWGWPFICOOPL-UHFFFAOYSA-N 369.425 2.922 0 50 FFAA Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1nn(C)c2c1CCCC2 65371831 TYFZYSUJPLTRPN-GFCCVEGCSA-N 358.417 2.503 0 50 FFAA CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C/C=C/c1ccccc1)C1CC1 72162978 PJVVIEGUWGLDNL-AQDCRGGLSA-N 369.509 2.537 0 50 FFAA O=C(O)C[C@H](NC(=O)c1cccc(NC(=O)C2CCCC2)c1)C(F)(F)F 65422622 BCBHZKXFUZZGDA-ZDUSSCGKSA-N 372.343 2.951 0 50 FFAA CN(C(=O)C(C)(C)Oc1ccc(F)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 330907302 NWFBBDGPKHSXDV-JKSUJKDBSA-N 371.474 2.797 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](CCCC(=O)OCc1ccccc1)C(=O)O 60114174 QAMQBROWEMDMOK-AWEZNQCLSA-N 351.399 2.878 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2nc(C)nc3c2CCNC3)n1 67966837 IAEUQVNTUONFRF-SNVBAGLBSA-N 368.407 2.703 0 50 FFAA C[C@@H](CNC(=O)N1CCC(Nc2cccnn2)CC1)N(C)c1ccccc1 153488005 UDDIDKBFWBCGPG-INIZCTEOSA-N 368.485 2.587 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 437579175 KXKYYZHFEGGIIY-APWZRJJASA-N 353.466 2.915 0 50 FFAA Cc1cc(=NC(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc[nH]1 328618744 DZZITGNWADDSAB-GFCCVEGCSA-N 367.375 2.754 0 50 FFAA Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCCC[C@@H]1C(=O)O 128587544 UQURAOITPIFQQC-MRXNPFEDSA-N 361.829 2.973 0 50 FFAA Cc1nn(C)c2ncnc(N3CCC([C@H](O)CCc4ccccc4)CC3)c12 72475309 YTHFXFXCHVKPPI-GOSISDBHSA-N 365.481 2.882 0 50 FFAA Cc1c(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c2cc(O)ccc2n1C 72463863 UZGJDQLXQVDZGK-UHFFFAOYSA-N 369.465 2.667 0 50 FFAA COCCNc1nc2cc(C(=O)N(C)Cc3c(C)noc3C)ccc2n1C 223851945 ZINGSHTXHMTCCK-UHFFFAOYSA-N 371.441 2.509 0 50 FFAA COCCc1noc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 223188109 SCAQJXOKZIZQQN-AWEZNQCLSA-N 368.437 2.689 0 50 FFAA Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 82121796 PMIBLPDJFJCYQS-INIZCTEOSA-N 351.454 2.939 0 50 FFAA C[C@@H](C(=O)NC(=O)NC1CCCCC1)n1ccc(C(F)(F)F)cc1=O 289603953 KHYBZVBSKJKJSJ-JTQLQIEISA-N 359.348 2.587 0 50 FFAA CN(C)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)C[C@@H]1O 426621618 KCJBNNVENOZNLE-ROUUACIJSA-N 362.832 2.893 0 50 FFAA COc1ccc(N2C[C@@H](C)N(C(=O)CCOc3ccccc3)CC2=O)cc1 82108552 OFTXDNBEVFLRQD-MRXNPFEDSA-N 368.433 2.728 0 50 FFAA CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c1 426397658 WVJHJGIARWZIMI-SFHVURJKSA-N 354.381 2.785 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)N[C@@H]3COC4(CCCCC4)C3)c2)n1 426545133 QOYGYTODKKRLFR-INIZCTEOSA-N 370.457 2.973 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)NCCc2nnc3n2CCC3)CC1 499314886 JVKDGGZKCHCOAS-OAQYLSRUSA-N 367.497 2.920 0 50 FFAA CN1CCC(C(=O)N2CC[C@@](O)(c3ccccc3)C2)(c2ccccc2)CC1 220682961 APWWDONAVOFAFI-QHCPKHFHSA-N 364.489 2.770 0 50 FFAA COc1cccc(N2CCN(C(=O)NCc3ccccn3)CC2(C)C)c1 426373550 AEKNMKSSEIBZJJ-UHFFFAOYSA-N 354.454 2.901 0 50 FFAA CC1=C(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)SC2=NCCN21 222880980 IRNXOBXCLQRECA-INIZCTEOSA-N 357.479 2.844 0 50 FFAA CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(O)c2)CC1 91872287 WVYRDRONOPYKFQ-UHFFFAOYSA-N 366.469 2.628 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(=O)nc3sccn23)C2CC2)cc1 97393939 KSWVKVQEYCGJEJ-MRXNPFEDSA-N 355.419 2.646 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)c1C 91691568 XBPJOMATHHTGAC-ZWKOTPCHSA-N 371.437 2.551 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)Nc2ccc(CN3CCOCC3)cc2)C1 96149122 RSONGKHWAGYZFO-LJQANCHMSA-N 361.486 2.942 0 50 FFAA COC(=O)c1ccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)nc1 426486046 HMRHPRNZNYCKNI-KRWDZBQOSA-N 365.433 2.511 0 50 FFAA O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCC[C@H](O)CC1 294982218 UFOJMJOJBFVJQB-SJORKVTESA-N 352.434 2.566 0 50 FFAA C[C@H](OCc1ccc(F)cc1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 295050447 OPOQVQKZMFMIJU-KSSFIOAISA-N 370.424 2.932 0 50 FFAA CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)n1 92066555 RJPXPSLEOXKPDS-QFBILLFUSA-N 364.493 2.607 0 50 FFAA Cc1cc(C(=O)N2CC(C)(C)N(C(=O)c3ccnc(C)c3)C[C@@H]2C)ccn1 297648652 DFTFZWJWTJPORV-INIZCTEOSA-N 366.465 2.859 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cnc(-c2ccncc2)nc1 95375177 WVBZSKRMHNBJQW-HNNXBMFYSA-N 360.417 2.910 0 50 FFAA O=C(c1ccc2cccnc2c1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95502131 JOPVMHPITLLWRK-XMSQKQJNSA-N 360.413 2.846 0 50 FFAA CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C(=O)O)C1 237019498 KXXCGFYKZOAGDK-STQMWFEESA-N 354.244 2.951 0 50 FFAA Cc1cc(N2CCC(NCCc3ccncc3)CC2)nc(N2CCCC2)n1 95353973 UPMOSIARFJCPLO-UHFFFAOYSA-N 366.513 2.581 0 50 FFAA CN(C)C(=O)N1CCCn2nc(CNc3nc4ccccc4o3)cc2C1 95371360 PYNHJPVPZJTILM-UHFFFAOYSA-N 354.414 2.524 0 50 FFAA CCOCC1(c2nc3c([nH]2)C[C@H](c2ccccc2OC)CNC3=O)CCC1 95371370 JDLGLSSEDRLYRZ-AWEZNQCLSA-N 369.465 2.946 0 50 FFAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cccc(-n2cnnc2)c1 91693775 NQSCQASBDBRJRD-OAHLLOKOSA-N 365.412 2.663 0 50 FFAA Cc1cc([C@@H]2CCCCN2CC(=O)Nc2nc(C)c(C(=O)O)s2)no1 240128285 IPIUIFGAQSJSQS-LBPRGKRZSA-N 364.427 2.612 0 50 FFAA Cc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1 263616374 IISSFKJSLZMVBR-SFHVURJKSA-N 366.396 2.927 0 50 FFAA CC(C)(C)C(=O)Nc1ncccc1-c1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 55242597 ZVXHGNVTIJQKOJ-UHFFFAOYSA-N 350.382 2.779 0 50 FFAA O=C1CCCCCN1CC(=O)N1CCc2onc(-c3ccccc3)c2C1 67726286 LGKZWXZQBFMGTQ-UHFFFAOYSA-N 353.422 2.629 0 50 FFAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H]1COC2(CCCCC2)C1 299760121 HHJVSRCBSWJFJD-AWEZNQCLSA-N 356.430 2.584 0 50 FFAA O=C(CCN1CCCCCC1=O)NCCOc1cccc2cccnc12 299800279 UZUYMXUDFAXKDM-UHFFFAOYSA-N 355.438 2.523 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC[C@H](c4nc(C)no4)C3)c2)n1 299777403 NSLHIDNGMFARJJ-SFHVURJKSA-N 365.437 2.869 0 50 FFAA CCn1c(C)cc2cc(NC(=O)NCCCN3CCC[C@H](O)C3)ccc21 299795617 KRHZBTVZHKOKBK-SFHVURJKSA-N 358.486 2.938 0 50 FFAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)CN1CC[C@@H](N(C)C)C1 820949439 NCYXULLLICBBPY-MRXNPFEDSA-N 360.502 2.554 0 50 FFAA C[C@H]1CN([C@@H](C)c2nc(-c3ccc(Cl)cc3)nn2CCO)C[C@@H](C)O1 828776940 MWJVJIUMXFOOFP-MJBXVCDLSA-N 364.877 2.761 0 50 FFAA CCCC(=O)c1cn(CC(=O)N[C@H](C)c2nncn2C)c2ccccc12 822755391 NRTOGGREILTFEA-CYBMUJFWSA-N 353.426 2.630 0 50 FFAA CC[C@@H](Cc1ccco1)N1CCOC2(CCN(C(=O)c3ccon3)CC2)C1 822628706 GBSFBYUDCZVIQA-INIZCTEOSA-N 373.453 2.596 0 50 FFAA COCCc1nc([C@@H]2CCCCCN2C)n(-c2ccc3c(c2)OCO3)n1 670448154 XSINBNGIKGWKNH-HNNXBMFYSA-N 358.442 2.732 0 50 FFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)NCc1noc(C(C)C)n1 670450265 VHYCHNCXNNTIHL-UHFFFAOYSA-N 362.411 2.635 0 50 FFAA Cc1cccc(CO[C@@H](C)C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 869642845 YBDVFNWZTGLXJN-INIZCTEOSA-N 366.417 2.960 0 50 FFAA O=C(c1ccccc1-c1nc2ccccc2s1)N1CC[C@H](CO)[C@H](O)C1 1875261185 UIRBXAKZPJCCHQ-CXAGYDPISA-N 368.458 2.779 0 50 FFAA O=C(O)[C@]1(c2ccc(F)cc2)CCN(CC[S@](=O)c2ccccc2)C1 1875304027 XAFQXOPDXSXGQT-CLOONOSVSA-N 361.438 2.662 0 50 FFAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H](Cc1ccsc1)NC=O 1875321445 IRNPMMBBCOHKQO-ATZDWAIDSA-N 356.491 2.885 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3cc(C)ccc3F)C2)CC1 1875370979 KFFHXIJCPLZUMA-QGZVFWFLSA-N 373.472 2.644 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2F)CC1 1875367788 NBOVSMKRDBGNFC-MRXNPFEDSA-N 362.420 2.923 0 50 FFAA CC1(C)[C@@H](NC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)[C@@H]1c1ccccc1 1875301984 ZXRRXJQWJSATQQ-JQFCIGGWSA-N 368.437 2.579 0 50 FFAA O=C(NCc1ccncc1OCC(F)F)N1CCC(c2ccon2)CC1 888101396 RMCYHQOREBRHAL-UHFFFAOYSA-N 366.368 2.803 0 50 FFAA CC(C)(C)c1cc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)[nH]n1 1565528838 SYSKVHKHDFHUJT-YWZLYKJASA-N 355.438 2.770 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@@H](N(C)CC(=O)O)CC1 186660462 ZZVRWLOUOABRPN-MRXNPFEDSA-N 373.428 2.693 0 50 FFAA O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CC[C@H]2C[C@@H]2C1 408499287 LUBHYONKHCYFLD-DBSGOBSLSA-N 353.406 2.990 0 50 FFAA COc1ccc(C(=O)C[C@@H](C)C(=O)N2CCN(c3nccs3)CC2)cc1 170594469 TWJCVBGESNUGLJ-CQSZACIVSA-N 373.478 2.709 0 50 FFAA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H]1CCCc2c(O)cccc21 190171778 AYBVFTLDEHOZFM-QZTJIDSGSA-N 368.433 2.713 0 50 FFAA COc1ccccc1Nc1ccccc1C(=O)NC[C@@]1(CCO)CCOC1 192967282 WMHJQFKDDYYTFG-OAQYLSRUSA-N 370.449 2.958 0 50 FFAA CN(C)c1cnc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cn1 779668066 VMIPZDJZZUWPHL-KRWDZBQOSA-N 366.421 2.512 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CC(Oc3ccccc3F)C2)CC1 1506408632 OBBWYKUNRCYMQU-UHFFFAOYSA-N 355.413 2.589 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cn3ncc4ccccc43)C1)CC2 1704339814 OIDUXHIMNAFJNP-NRFANRHFSA-N 361.449 2.641 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cccc(OC(F)F)c1 1704333665 CHZOFRKFMAESGJ-UHFFFAOYSA-N 352.385 2.524 0 50 FFAA Cc1ccsc1[C@@H](CNc1cncc(C(=O)N2CCCC2)n1)N(C)C 1704280549 YJYJCCMJCWFPNR-OAHLLOKOSA-N 359.499 2.797 0 50 FFAA CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704357059 BLRZGGCASWBCLM-VNHYZAJKSA-N 354.372 2.621 0 50 FFAA C[C@@H](C(=O)Nc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1076403 RJKURLAYFMHTQW-NSHDSACASA-N 353.831 2.528 0 50 FFAA COc1ccc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)c(Cl)c1OC 1616075928 XFWRCTNDTSVHAS-HOTGVXAUSA-N 366.889 2.652 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)N1CCC(O)CC1)C2 1772805160 IURCJMPUCSUGFN-LBPRGKRZSA-N 361.467 2.503 0 50 FFAA CCOCCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12111831 QGFLQPIECLIXKL-MRXNPFEDSA-N 366.889 2.664 0 50 FFAA CSc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)N1CCCC1 16624385 XTRVXPCWLQVYQV-UHFFFAOYSA-N 368.524 2.865 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19608984 OVWQXBYWRSKBFY-UHFFFAOYSA-N 368.433 2.520 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3ccc([C@H]4CCCN4)s3)CC2)c1 19745983 SWGYAMINXUBZNR-OAHLLOKOSA-N 356.495 2.838 0 50 FFAA CC(C)CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3 19962249 DCQNMIFXTJMHMG-LBPRGKRZSA-N 367.405 2.637 0 50 FFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6726758 CMRMAQFDMFBWPC-SJORKVTESA-N 362.857 2.651 0 50 FFAA COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3s2)n1 986606 OGWNEFVNNBKELE-UHFFFAOYSA-N 362.436 2.834 0 50 FFAA CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1778097 AZUXWRIPZPKZCX-LFYBBSHMSA-N 360.435 2.775 0 50 FFAA COc1ccc(C=C(C)CNC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)cc1 1857529128 HBANEHQOVUICLX-LAUBAEHRSA-N 368.481 2.641 0 50 FFAA CC[C@@]1(C(=O)N2CCOCC2)C[C@@H]2CC[C@H]1N2C(=O)c1cc(C)oc1C 1857710804 QSDFYBJCTCPGLF-XAUMDUMWSA-N 360.454 2.529 0 50 FFAA CCn1cnc2c(N3CCN(C(=O)CCC4CCCCC4)CC3)ncnc21 329436566 JJOPYVIKDXANHY-UHFFFAOYSA-N 370.501 2.855 0 50 FFAA O=C(O)[C@H]1CCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 238091635 BBSNPOILQGCBTO-APWZRJJASA-N 370.474 2.771 0 50 FFAA O=C(O)CCN(C(=O)c1cc(Br)ccc1F)C1CCOCC1 238073306 WAGHUHINDKNYRF-UHFFFAOYSA-N 374.206 2.684 0 50 FFAA CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(Cl)s3)CCO2)o1 370499368 LUXSZTIYIHCHLF-JTQLQIEISA-N 356.835 2.630 0 50 FFAA CCn1nc(C)c(CC(=O)N2CCC3(CC2)C[C@H]3c2nnc(C)o2)c1C 370743709 XJNXFNWDRGBQRI-INIZCTEOSA-N 357.458 2.550 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C(=O)O)cc1Cl 263079405 PPPJFSGZVIBTLN-OAHLLOKOSA-N 365.817 2.761 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)c1ccnc(NC3CCC3)c1)[C@H]2C 907621229 RLCZFGQSTCZOSU-ZDUSSCGKSA-N 354.458 2.978 0 50 FFAA O=C(c1ccc(C2CC2)nc1O)N1CCC(c2nnc3n2CCCC3)CC1 935461525 CDAZTIJLDNFFCJ-UHFFFAOYSA-N 367.453 2.612 0 50 FFAA C[C@H](c1ccccc1)[C@@H]1NC(=O)[C@H](Cc2ccc(C(F)F)cc2)NC1=O 2325787676 PJDKRKYMYFHRIS-DQYPLSBCSA-N 358.388 2.954 0 50 FFAA Cc1cnc([C@@H]2CCCN(C(=O)NC[C@@H]3CNC(=O)C(C)(C)C3)C2)s1 2325800518 PCVQBVBXFBCEKA-UONOGXRCSA-N 364.515 2.503 0 50 FFAA O=C(NCc1oc2ccc(F)cc2c1-c1ccccc1)N[C@@H]1CCNC1=O 2325829922 WHZOMRUGNMKTCO-OAHLLOKOSA-N 367.380 2.927 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc3c(nc2OC)CCC3)C1=O 2356134421 MCKMDOGBRNAXJY-OAQYLSRUSA-N 371.481 2.586 0 50 FFAA CCOCCC(=O)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356166324 SXLIKSYMKSIOBI-NRFANRHFSA-N 358.482 2.639 0 50 FFAA COc1ccc(-c2cc(=O)oc3cc(OCC(N)=O)c(Cl)cc23)cc1 4827575 VMVSIDQUHDFEOC-UHFFFAOYSA-N 359.765 2.986 0 50 FFAA biogenic Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccco2)c2cccnc2)cc1 7997125 JMVPELHZYPTMBK-SFHVURJKSA-N 370.430 2.928 0 50 FFAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 248069112 FTRQXIFUSHIUAY-HCXYKTFWSA-N 371.529 2.557 0 50 FFAA O=C1NC(=O)[C@@H]2[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 105022994 VTOLQEMXZUTSMA-DDWSOYLRSA-N 369.846 2.721 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CNCc3cccnc3)C2=O)cc1 67822098 VSAKMMOUOVZJCG-QFIPXVFZSA-N 367.493 2.848 0 50 FFAA O=C1CCC2(CCN1)CCN(Cc1ccccc1Cn1cccn1)CC2 67674953 JSQDISQOAXXGDT-UHFFFAOYSA-N 352.482 2.814 0 50 FFAA CC[C@H](C)C(=O)N1CCc2c(cnc(C)c2-c2noc(-c3cc[nH]n3)n2)C1 20534883 UHUIAOSFVWHXBW-NSHDSACASA-N 366.425 2.761 0 50 FFAA Cc1cc(C)nc(NC(=O)c2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1 65406419 GTXCIAHOFWWYNZ-GOSISDBHSA-N 366.465 2.648 0 50 FFAA Cc1c(Cc2nc([C@@H](NC(=O)c3ccccc3)C3CC3)no2)cnn1C 350550060 SJBAFJVPCWKLSK-KRWDZBQOSA-N 351.410 2.583 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)N(C)Cc2[nH]nc3c2CCC3)n1 67850836 IMWLXFXMRXIEML-UHFFFAOYSA-N 365.437 2.848 0 50 FFAA CCOc1c(Cl)cc(C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1OC 282678085 KCDDOTZOJWDYSK-AWEZNQCLSA-N 366.845 2.678 0 50 FFAA O=C(NCCc1c[nH]c2cc(Cl)ccc12)N[C@H]1CCc2[nH]ncc2C1 154169485 UQYNROVXHDWCCD-AWEZNQCLSA-N 357.845 2.944 0 50 FFAA Cc1cc(C)n(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2cnn3C)n1 72165189 CKYOWMYXQXVOCX-ZDUSSCGKSA-N 362.441 2.739 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)COC(C)C)[C@@H]2C3CCN(CC3)[C@H]12 72128987 JUTDEUIVRAEJCT-IOMROCGXSA-N 358.482 2.509 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)cc1 72133955 GFFNQBQSWFGFRP-SFHVURJKSA-N 350.528 2.931 0 50 FFAA Cc1ccc(N2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)nn1 72435324 XHDJCJCGYROYEP-UHFFFAOYSA-N 353.422 2.776 0 50 FFAA CCn1ccc2c(CN3CCN(c4cc(C)nc(N)n4)CC3)cccc21 216523583 XXZOVXSNBBEMTP-UHFFFAOYSA-N 350.470 2.664 0 50 FFAA COc1cc([C@@H](C)NCCC2(O)CCC2)ccc1S(=O)(=O)C(F)F 284506979 YDRSEWZLRBDVBO-LLVKDONJSA-N 363.426 2.647 0 50 FFAA COCCN1C[C@@]2(CCCN(c3cccc(C(F)(F)F)n3)C2)CCC1=O 77377608 CIDRPQDBHGRQIF-KRWDZBQOSA-N 371.403 2.956 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237335001 MACDDXVAEUBKRQ-FZMZJTMJSA-N 359.344 2.901 0 50 FFAA O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CCOc2cc(O)ccc2C1 376654171 OGOWSUBKIHVJJE-IRXDYDNUSA-N 356.426 2.677 0 50 FFAA CC(C)O[C@H]1CN(c2cc(-c3ccccc3F)nc3ccnn23)C[C@@H]1O 72432839 LRYBGYJWYBRUTO-IRXDYDNUSA-N 356.401 2.510 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)NC1CCN(C[C@@H]2CCCO2)CC1 220070839 NWKQKDKHKWMCPA-INIZCTEOSA-N 354.853 2.781 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(Cc2c(C)nn(C)c2C)CC1 82114411 HPYFRPQWHVHOIC-UHFFFAOYSA-N 373.453 2.544 0 50 FFAA O=C(c1snnc1-c1ccccc1)N1CCN(c2ccccn2)CC1 40266971 RWKBFKILHHDBCY-UHFFFAOYSA-N 351.435 2.563 0 50 FFAA CC1CCN(C[C@@H]2CCCN([C@H](C)C(=O)Nc3nccs3)C2)CC1 246220532 ZCLBWUPARFMOSQ-CVEARBPZSA-N 350.532 2.914 0 50 FFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@@]23C=C[C@H]1O3 226888161 VDJAQCCFKHDKBN-OLMMMNRUSA-N 361.825 2.970 0 50 FFAA CCOc1ccc(CC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cc1 221216199 OCEHOMDELFTRQJ-FQEVSTJZSA-N 360.498 2.731 0 50 FFAA CCCN1CCCn2nc(CNC(=O)c3ccc(OCC)cc3)cc2C1 82167341 OKUUMLHDANLYAK-UHFFFAOYSA-N 356.470 2.828 0 50 FFAA C[C@]1(C(=O)N2CC[C@H](n3cccn3)C2)CCCN(C(=O)c2ccccc2)C1 291229434 NZBVIMJGYRMOKK-RXVVDRJESA-N 366.465 2.599 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c(F)c1 222247801 SDEFWMKDCGVMOQ-HZPDHXFCSA-N 350.415 2.695 0 50 FFAA COCCn1c(C)cc2cc(NC(=O)NCCN3CCCOC3=O)ccc21 426548633 WRRPZONXBSLXOW-UHFFFAOYSA-N 374.441 2.560 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 179965832 LBLIQCMEZHABOP-KGLIPLIRSA-N 352.312 2.754 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)c2ccnc(C3CCCC3)n2)c(C)s1 162106497 OJBJROOMCLUEIK-UHFFFAOYSA-N 365.480 2.931 0 50 FFAA Cn1c(Cn2ccnc2)nnc1C1CCN(Cc2ccc(F)cc2F)CC1 92061613 OSUZOLOEYCWMGN-UHFFFAOYSA-N 372.423 2.718 0 50 FFAA O=C1NCCC[C@]12CCN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 91575545 XZHBMEXCGQVQTA-LJQANCHMSA-N 356.857 2.899 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CC(Oc3ccccc3OC)C1)CO2 92045778 ZZZHGQFXCYEGBZ-OAHLLOKOSA-N 369.417 2.545 0 50 FFAA O=C(C1CCC1)N1CCC(c2nc(-c3cn4ccccc4n3)no2)CC1 96138367 CRHZJZMGUFTHOS-UHFFFAOYSA-N 351.410 2.890 0 50 FFAA COc1ccc(-c2cc(C(=O)NCCNc3ccncc3C)n[nH]2)cc1 91770760 PTNLDYVRZNKRFJ-UHFFFAOYSA-N 351.410 2.631 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)Nc1cc(C(=O)NC)ccc1Cl 96142167 UJLRUYXCIWBSQN-UHFFFAOYSA-N 363.849 2.970 0 50 FFAA Cc1cc(C)c2nccc(N3CCC[C@@H](c4nccn4CC(N)=O)C3)c2c1 95517320 VBKHYBKZJJYCAR-MRXNPFEDSA-N 363.465 2.917 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCN(c2cnccn2)CC1)c1ccc(F)cc1 91326973 AHFPBPFUUTVJKA-HXUWFJFHSA-N 354.429 2.632 0 50 FFAA CCNc1ncc(C(=O)NCCCc2nc3ccc(C)c(C)c3[nH]2)cn1 91587049 HVWYZIUFAXAJSU-UHFFFAOYSA-N 352.442 2.764 0 50 FFAA Cc1cc(N2CCCN(C(=O)C3CCC3)CC2)nc(-c2ccccc2O)n1 92028125 DLOAJKALNBAPMV-UHFFFAOYSA-N 366.465 2.996 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91255180 AUDRDWNCMVTEFB-HNNXBMFYSA-N 365.433 2.879 0 50 FFAA Cc1c([C@H](C)NC(=O)CCN2CCCCC2=O)cnn1-c1cccc(F)c1 91985863 ZARZIWUZZAJWDG-AWEZNQCLSA-N 372.444 2.900 0 50 FFAA CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 91550843 XSTMHQBHDGKDJV-GOEBONIOSA-N 361.511 2.519 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc(=O)[nH]c2)C1 91914522 FYEFWNUTBMKNSU-HXUWFJFHSA-N 354.406 2.589 0 50 FFAA COc1cncc([C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]2C[C@H](O)C2)c1 244763893 OXDYNDOXCQWPTB-ZXYWRSMDSA-N 351.406 2.814 0 50 FFAA CN(CC(=O)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)Cc1ccccc1 244787761 QDEGVHYVVRJUHK-SLYNCCJLSA-N 356.441 2.886 0 50 FFAA CC[C@H](C(=O)NCCN1CCCOC1=O)n1cc(C(C)=O)c2ccccc21 252500061 SMQCSBAYMUXDRT-QGZVFWFLSA-N 371.437 2.754 0 50 FFAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)NCc1nnc(N)s1 252478154 AEMZVRTUDOHEIB-LLVKDONJSA-N 358.471 2.546 0 50 FFAA CCC[C@H](NC(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1)C(=O)NC 299796087 MSOJQAVFIQEQCL-AWEZNQCLSA-N 368.865 2.514 0 50 FFAA Cc1ccccc1-n1cc(CNC(=O)[C@H]2CC(=O)OC23CCCC3)cn1 299793354 IQCNJNTXMDBBGN-MRXNPFEDSA-N 353.422 2.673 0 50 FFAA CCc1cccc(C)c1NC(=O)CCN1CCC[C@@]2(C1)CN(C)C(=O)O2 299783357 ZSLIDBGFHUTFNY-FQEVSTJZSA-N 359.470 2.803 0 50 FFAA O=C(CCCOCc1ccccc1)N[C@H]1CCCN(C(=O)c2ccco2)C1 828013108 RJCOHVFLZQXOJZ-SFHVURJKSA-N 370.449 2.997 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)CCCc1ccc(F)cc1 824596296 PKHIGZSEDAENFG-UHFFFAOYSA-N 355.373 2.771 0 50 FFAA Nc1nnc(CCNC(=O)N2CCCCC[C@H]2c2cccc(F)c2)s1 584892126 KXEPHCCOMAXYDJ-AWEZNQCLSA-N 363.462 3.129 0 50 FFAA CC[C@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1CCn1ccc(C)n1 670457159 IJTFXSOOQCTVJF-SFHVURJKSA-N 365.481 2.877 0 50 FFAA CC(C)(CNc1ncc(Br)c2ccncc12)[C@]1(O)CCOC1 1875319328 XOEPFQYVPQWNGV-INIZCTEOSA-N 366.259 2.982 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccccc3C)n2)cc1 1875328489 VBGRUKAPOYAVOZ-UHFFFAOYSA-N 369.446 2.916 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCN(C)C)Cc3ccc(F)cc3)n[nH]c21 1875394472 JUFFTUXYNHAANS-KGLIPLIRSA-N 374.460 2.775 0 50 FFAA O[C@@]1(c2cc[nH]n2)CCN(c2ccnc3cc(OC(F)(F)F)ccc23)C1 1875288033 LGBXIAVWIOSNSO-INIZCTEOSA-N 364.327 2.954 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)CCc3ccc4c(c3)OCO4)cc2[nH]1 952964249 CFOVCQYDTRIGJD-NSHDSACASA-N 353.378 2.916 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)Nc1cc3nc(C)cc(C)n3n1)C2 1180397884 QLBNIEQAOXTGJD-AWEZNQCLSA-N 352.394 2.545 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2cnc3cnccn23)CC1 275751096 QFYJYSZBLMABKG-SFHVURJKSA-N 350.470 2.611 0 50 FFAA O=C(OCCOc1cncc(Br)c1)c1ccnc(C2CC2)n1 170666049 VFZJYYHLCQUDEF-UHFFFAOYSA-N 364.199 2.747 0 50 FFAA Cc1cc(CN2CCN(Cc3ccc(-c4cnn(C)c4)cc3)CC2)no1 1326819440 PAHXSJODWBOTRY-UHFFFAOYSA-N 351.454 2.701 0 50 FFAA Cc1cccc([C@@H](CNc2ncnc3onc(C)c23)N2CCOCC2)c1 193388066 JRGITTKNEWLGFM-MRXNPFEDSA-N 353.426 2.720 0 50 FFAA Cc1ccc(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H](C(=O)O)C2)s1 216531214 TWQPDMNGDCIDIU-OLZOCXBDSA-N 359.403 2.726 0 50 FFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1cc(Br)ccc1Cl 237633895 AXEYRCYSEHSKEN-WCBMZHEXSA-N 367.696 2.603 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(c2cc(OC)nc(OC)n2)CC1 1704307141 ULHSNJXGEYLCSE-UHFFFAOYSA-N 371.437 2.571 0 50 FFAA CC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 777979 JVZQMBYIWRTZIZ-SECBINFHSA-N 358.653 2.945 0 50 FFAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccco1)CC2 14743494 MOGVPKBYLYWVGO-UHFFFAOYSA-N 367.449 2.751 0 50 FFAA C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccc(OC)cc34)C(=O)C[C@@H]1[C@@H]2CO 206392140 MFJKLERWGHCFMH-MQNPCLEJSA-N 354.450 2.790 0 50 FFAA biogenic COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)c1 2480340 BTRDKBOAHPBECE-OAHLLOKOSA-N 364.467 2.838 0 50 FFAA COc1ccc(C(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1 4856491 TZCKXYOLMODNFX-UHFFFAOYSA-N 367.430 2.798 0 50 FFAA O=C1CCOC2(CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CN1 1857709536 CYDZPOQNOZKTMY-UHFFFAOYSA-N 360.351 2.716 0 50 FFAA Cc1cc(CC(=O)N2CCc3nn(C)c(-c4ccccc4)c3CC2)on1 1857734225 FRONCQRPZCDQHC-UHFFFAOYSA-N 350.422 2.553 0 50 FFAA Cc1cc2[nH]c(CN3C[C@H](C4CC4)O[C@H](c4ccccc4)C3)cc(=O)n2n1 1875250817 JNSRKLGIRKHDHY-RBUKOAKNSA-N 364.449 2.683 0 50 FFAA CN(Cc1ncnn1CC(F)F)C(=O)N[C@@H]1CCCOc2ccccc21 225623071 ZPXGFKAKMAEEAP-CYBMUJFWSA-N 365.384 2.599 0 50 FFAA COC1(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)CCOCC1 370276950 QBCJEZSMHLATQJ-AWEZNQCLSA-N 353.846 2.905 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1[C@H]2CC[C@H]1c1ccccc12 265699198 CSEDXNDLWJSKPL-BZSNNMDCSA-N 362.495 2.999 0 50 FFAA Cc1cc(CNC(=O)N[C@]23C[C@H]2COC32CCC2)cc(N2CCCC2)n1 922528604 QAZWFDHAHVFOET-OXJNMPFZSA-N 356.470 2.501 0 50 FFAA O=C(N[C@@H]1c2ccccc2CC1(F)F)[C@@H]1CC(=O)N(c2nccs2)C1 2325796538 XCXLSAKQMAJXRX-BXUZGUMPSA-N 363.389 2.545 0 50 FFAA CO[C@@H]1CCNC[C@@H]1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 2325874729 YWROYFZSANEBGR-PWRODBHTSA-N 350.462 2.785 0 50 FFAA CCc1cc(Br)ccc1-n1cc(C(=O)OC)c(C(=O)OC)n1 630078 ALRMUVHTDQDDBC-UHFFFAOYSA-N 367.199 2.770 0 50 FFAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1COc2ccccc2O1 797013 RDOZZKMGMCJBJF-FQEVSTJZSA-N 352.434 2.607 0 50 FFAA O=C(COc1ccccc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 1211783 GDHRMDVCGYHIQK-QGZVFWFLSA-N 364.323 2.953 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c2ccccc21 2356134577 SMLDMJWYHMBKLG-OAQYLSRUSA-N 351.450 2.938 0 50 FFAA O=C(O)[C@H]1CC(=O)N(c2ccc(Br)cc2Br)C1 4237862 ZWBOTACRPPHVCJ-LURJTMIESA-N 363.005 2.649 0 50 FFAA CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 4844511 PCFWSHJPBJSMIK-SFHVURJKSA-N 354.406 2.947 0 50 FFAA CSc1ccc2c(C)cc(NCCN3CCC[C@H](C(N)=O)C3)nc2c1 55042259 MIPXQBHFHNGNAP-AWEZNQCLSA-N 358.511 2.874 0 50 FFAA CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H](C(N)=O)C1 225851788 HJCOXYSRDLCKTD-JTQLQIEISA-N 358.364 2.501 0 50 FFAA CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 9699719 RPMLQZSYHYHLEY-UHFFFAOYSA-N 351.366 2.661 0 50 FFAA CC[C@H](C)CNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 20541042 OAHRHDRHSBPWCO-INIZCTEOSA-N 368.485 2.682 0 50 FFAA CC(C)CCN1CCN(Cc2nc(-c3ccccc3)no2)C[C@H]1CCO 104404076 YQMSLXBIOQQPDZ-GOSISDBHSA-N 358.486 2.651 0 50 FFAA Cc1ccc([C@@H](C)NC(=O)CN2CCN(Cc3ncccc3C)CC2)cc1 65376077 BDGKJLCFQSCGCT-LJQANCHMSA-N 366.509 2.693 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2NC1=O 28290050 PAOHFQTUWZROOT-SNVBAGLBSA-N 350.330 2.765 0 50 FFAA Cc1nc[nH]c1CN1CCC(O)(c2ccc(Br)cc2)CC1 23281376 HRWXIVNFFKHTOJ-UHFFFAOYSA-N 350.260 2.964 0 50 FFAA COc1cccc2c1OC[C@H](Nc1cc(C3CCNCC3)nc(C)n1)C2 67981994 OACPQSBGAHCLBQ-MRXNPFEDSA-N 354.454 2.676 0 50 FFAA Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2nc(C)sc2C)cc1 479881790 GWTDAQLNXZYXLU-IBGZPJMESA-N 373.522 2.801 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccc(C)c(F)c2)cc(-n2cccn2)n1 35597342 CYBPGTGDLCPJTH-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCn1ccnc(N2CCC(NC/C=C/c3ccc(F)cc3)CC2)c1=O 328627460 GFQGNTIRIIJVHA-ONEGZZNKSA-N 356.445 2.674 0 50 FFAA Cc1cccc(OCC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c1 219322694 MCHAYWGKCFALRH-UXHICEINSA-N 355.434 2.864 0 50 FFAA O=C(NCc1ccco1)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088970 CIQQZTVSSVEWLK-UHFFFAOYSA-N 373.206 2.843 0 50 FFAA COc1ccc(/C=C2\SC(=N)N(c3nonc3-n3cccc3)C2=O)cc1 4686973 HCZMFPJKGBXLMS-FWPNEJFGSA-N 367.390 2.925 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)N(C)Cc1ccc(OC)cc1 72407023 PWQMSHYGEGHMSF-FQEVSTJZSA-N 373.541 2.850 0 50 FFAA CCCC[C@H]1CN(CCC(=O)NCc2cnn(C)c2)Cc2ccccc2O1 12183147 WXHUJPPGDQVYHQ-IBGZPJMESA-N 370.497 2.880 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cc1 71416359 KTMVHCAPONIGOI-LJQANCHMSA-N 371.481 2.754 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ncccc3O)C2)CCC1=O 77505743 YGIVNWDYZVDYNQ-HXUWFJFHSA-N 359.470 2.678 0 50 FFAA CS[C@H](C)C(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72475251 ZGENGNKFALFIIU-GFCCVEGCSA-N 355.431 2.710 0 50 FFAA COc1cccc(-c2cccc(C(=O)NC[C@]3(O)CCCNCC3)c2)c1 72171149 BXIYIZYPANZNIY-NRFANRHFSA-N 354.450 2.597 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)NCCCSC1CCCCC1 72433255 ZXRWDROCGJJPPD-UHFFFAOYSA-N 364.559 2.881 0 50 FFAA Cc1[nH]cnc1CN1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77406344 VYKOXFBJIMODAV-UHFFFAOYSA-N 369.517 2.620 0 50 FFAA CCCc1ccc([C@H](C)NC(=O)CN2CCC3(CC2)CN(C)C(=O)O3)cc1 77485685 LNWPALZIPPFWMF-INIZCTEOSA-N 373.497 2.733 0 50 FFAA CC(C)Nc1ncc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)cn1 72137155 XZQKTBBSERKKCJ-IBGZPJMESA-N 367.497 2.734 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2c3c(nn2C)CCCC3)[C@H](C)C1 72412451 VCONGJOTNIPZMP-OAHLLOKOSA-N 368.481 2.658 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2ccc(Cn3ccnc3)o2)CC1 77287908 AQTVVKIHKRHMBS-UHFFFAOYSA-N 364.449 2.791 0 50 FFAA CC[C@H]1CCCN1C(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1 72477991 DFJSNUYCNLBAJJ-AWEZNQCLSA-N 368.437 2.924 0 50 FFAA Cc1nn(-c2ccccc2)cc1CN1CCC(O)(CN2CCCC2)CC1 215334754 IPZPYGNURXGPEJ-UHFFFAOYSA-N 354.498 2.603 0 50 FFAA CN1CCC2(CCN(C(=O)NCc3cc(C4CC4)ccc3F)CC2)C1=O 455179251 LQJDFTRAISFLQO-UHFFFAOYSA-N 359.445 2.857 0 50 FFAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(N2CCCC2=O)cc1 242273563 YDVWDIQSVDYEJQ-HODQNMRISA-N 368.433 2.514 0 50 FFAA Cc1nn2c(ncc3c(=O)n(CCC(=O)O)ccc32)c1-c1ccc(F)cc1 40396972 OCZPWSYIHMIIKK-UHFFFAOYSA-N 366.352 2.633 0 50 FFAA O=C(Nc1cnn(Cc2cccc(F)c2)c1)N1CCC[C@H]1Cn1cccn1 426548782 MLOPRBRLMXMNMG-SFHVURJKSA-N 368.416 2.964 0 50 FFAA O=C(COc1ccc(-c2ccccc2)cc1)NCCCN1CCOCC1 20530412 PXMVMENOTLUFIB-UHFFFAOYSA-N 354.450 2.571 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)NCCc3noc(C4CCCC4)n3)c2n1 426545092 OLRPHJMXWOFYEC-UHFFFAOYSA-N 368.441 2.668 0 50 FFAA CCn1ccnc1CN(C)C(=O)NCCN1CCC[C@H](c2ccccc2)C1 426404379 SSCKMTBCIMUDNJ-IBGZPJMESA-N 369.513 2.924 0 50 FFAA O=C([C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cccc(O)c2)CC1 95379666 SAHDFUHNRLLBKC-QGZVFWFLSA-N 369.465 2.546 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(C(=O)Cc1cccnc1)CC2 426374442 WTPXUJQWFNCQQV-BBTUJRGHSA-N 367.449 2.637 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)NCc1csc2c1CCCC2 97394098 HUOWQXIRSXNPBL-UHFFFAOYSA-N 353.447 2.653 0 50 FFAA O=C(C1CCN(C2CCCCC2)CC1)N1CCN(Cc2cccnc2)CC1 95353355 RNOIWZFMPNJQFB-UHFFFAOYSA-N 370.541 2.771 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 97773072 YXTLZBLGQZQXOD-KRWDZBQOSA-N 354.454 2.797 0 50 FFAA CCc1ccnc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c1 181720565 QUABWRRBJDIJKG-UHFFFAOYSA-N 355.413 2.771 0 50 FFAA Cc1cc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c2c(C)noc2n1 91434323 ZGOHJEYUKWPESX-UHFFFAOYSA-N 364.365 2.557 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N(C)C2CCOCC2)c1 91860755 XADJLEPTSJWKIF-UHFFFAOYSA-N 361.438 2.903 0 50 FFAA COc1ccc2cc(C(=O)N3CCC(N4CCSCC4)CC3)n(C)c2c1 97568906 PNNRAXQCDKFZOZ-UHFFFAOYSA-N 373.522 2.840 0 50 FFAA CCCCn1nc(Cc2cccs2)nc1C[C@H]1C=CS(=O)(=O)C1 96151660 PHODBXACRRPQSV-CYBMUJFWSA-N 351.497 2.831 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCC(Nc3ccccn3)CC1)C2 91327093 GVKIIZVBMJYTJH-MRXNPFEDSA-N 367.449 2.744 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95366412 WJCGWDCGUJRSGC-LJQANCHMSA-N 360.498 2.923 0 50 FFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)s1 95515138 VOJHYXKVHZHWAN-AUUYWEPGSA-N 357.431 2.561 0 50 FFAA CSc1cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)ccn1 299035173 AICRWWBJPCKNSX-UHFFFAOYSA-N 363.464 2.596 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 253399599 DCYPWEXSDWXVGJ-ZFDALGJYSA-N 366.509 2.934 0 50 FFAA CC(C)(CO)CNC(=O)c1ccc(-c2cccc(-n3cnnc3)c2)cc1 534655142 OSALDXSWPQETKR-UHFFFAOYSA-N 350.422 2.683 0 50 FFAA CC(C)c1ccc(-c2ccc(C(=O)N[C@@H]3CCC(=O)N(C)C3)cc2)nn1 534638496 BVHQBYGOQIIOSY-MRXNPFEDSA-N 352.438 2.618 0 50 FFAA COC[C@@H](NC(=O)N(C)Cc1csc(C(C)C)n1)c1ccnn1C 534588170 GPNAKWNGVFGGTA-CYBMUJFWSA-N 351.476 2.529 0 50 FFAA O=C([C@@H]1CC(=O)N(c2nccs2)C1)N1CC=C(c2ccccc2)CC1 80844735 QBLCAPFQDGSDEO-MRXNPFEDSA-N 353.447 2.812 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)c1 824774961 YGYJBEDYNWFATE-MRXNPFEDSA-N 352.390 2.967 0 50 FFAA O=C(NCc1noc(-c2ccccc2F)n1)N1CC[C@H]1[C@@H]1CCCOC1 1875278392 VMKIKIKIAWUZLS-DOMZBBRYSA-N 360.389 2.586 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@H]3CCCC[C@H]3n3cccn3)CC2)CC1 1875385863 DDUAHIIDTNJJHT-ZWKOTPCHSA-N 370.497 2.688 0 50 FFAA CSc1cccc(NC(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)c1 1875318214 KEIKTWIUAMYBMF-UHFFFAOYSA-N 373.409 2.927 0 50 FFAA N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 71788264 UEWJMZFPUBXDNV-SFHVURJKSA-N 356.422 2.764 0 50 FFAA in-vitro COc1cccc(N2C[C@H](NC(=O)c3c(C)cccc3OC)CC2=O)c1 952976305 QXLDZMMQNGJDNW-CQSZACIVSA-N 354.406 2.548 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2F)N(C)C)cc1C 952982512 XRWHCZGJXCUFHS-IBGZPJMESA-N 373.428 2.960 0 50 FFAA CCC[C@]1(C(=O)O)CN(C(=O)Cc2cccc3ccccc23)CC[C@H]1O 1529101360 FXCLKQWZMLUPET-NQIIRXRSSA-N 355.434 2.847 0 50 FFAA Cc1nc(S)sc1CC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 170652589 OFTRULHMHHIGMT-UHFFFAOYSA-N 360.464 2.536 0 50 FFAA Cn1ccnc1SCc1ccc(C(=O)NCc2cccc(CO)c2)o1 170926158 IPBVLEJWBMZJIN-UHFFFAOYSA-N 357.435 2.728 0 50 FFAA Clc1ccc(N2CC[C@H](Nc3cc(N4CCOCC4)ncn3)C2)cc1 302862943 WLFBRQNCLWAWLP-HNNXBMFYSA-N 359.861 2.657 0 50 FFAA COc1ccc(CC(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1F 194811929 YMLRUYGXHUCMEJ-UHFFFAOYSA-N 362.376 2.991 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N(Cc3ccccn3)Cc3ccco3)cc2)n1 1506415637 ACODSWZTOGCZLN-UHFFFAOYSA-N 374.404 2.708 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1529185144 KYXLUFKSNQXYQC-IEBWSBKVSA-N 354.450 2.921 0 50 FFAA c1ccc([C@H]2COC[C@H]3CN(Cc4ccc5c(c4)CCO5)CCN23)cc1 1529101959 SEOHBLIWVYUNKZ-NHCUHLMSSA-N 350.462 2.879 0 50 FFAA O[C@@H]1CN(Cc2cccc(F)c2C(F)(F)F)C[C@H]1Cc1cnccn1 1704306516 VORIHZZGUUPHST-IUODEOHRSA-N 355.335 2.670 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(OC)cc1 1134625 MMYOARCQRCIOHR-UHFFFAOYSA-N 359.378 2.680 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 11814475 SHNZHBWFYFDSMD-CQSZACIVSA-N 359.451 2.634 0 50 FFAA COc1ncccc1C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 12431798 PGJZRVNRWHLEOU-SFHVURJKSA-N 365.477 2.794 0 50 FFAA CC(=O)N1CCC(C(=O)NCc2cccnc2N(C)C2CCCCC2)CC1 12470619 ODWWUAFVZRWNEQ-UHFFFAOYSA-N 372.513 2.725 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3c(F)cccc3Cl)C2)C1=O 12579330 SBZTUSCEQLVGES-SFHVURJKSA-N 354.853 2.940 0 50 FFAA O=C1N(Cc2ccccc2F)CCC[C@]12CCN(Cc1ccc(CO)o1)C2 12704787 MDKBROHLWTXVBM-OAQYLSRUSA-N 372.440 2.926 0 50 FFAA O=C(c1cc(S(=O)(=O)N2CCCC2)cs1)N1CCc2ccccc21 16649178 UCGDXTMDPCGXMY-UHFFFAOYSA-N 362.476 2.736 0 50 FFAA C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 2961013 HQEKYIRMSQDKNM-CYBMUJFWSA-N 366.870 2.983 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2C)cc1 6701961 JWDRYGZFUWNANA-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA Cc1c(C)c2cc(-c3ccc4c(O)nc(O)nc4n3)c(O)c(C)c2oc1=O 1857526444 HITAHHLWOHTOSC-UHFFFAOYSA-N 365.345 2.840 0 50 FFAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1ccc(C(=O)N2CCOCC2)cc1 1857682481 QPWWRXYQFOEKNU-IPELMVKDSA-N 356.466 2.715 0 50 FFAA CCCn1cc(-n2ccnc2-c2cnc(NC[C@@H]3CCCO3)nc2)cn1 1857684723 ANVQEYRYWLSDIX-INIZCTEOSA-N 353.430 2.527 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1ccncc1 1857715674 CMCUEJGDJZMERT-FGTMMUONSA-N 357.841 2.679 0 50 FFAA O=C(c1ccn2nccc2c1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 1875240112 IMHNABPOZDCUBH-INIZCTEOSA-N 360.377 2.757 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCN2Cc3ccccc3C2)C[C@@H]1c1ccccc1 216233047 KBNWDJCOMFGLQT-UXHICEINSA-N 364.445 2.719 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@@H]1C(=O)O 216526245 MPEXXEZNPUDLDK-CVEARBPZSA-N 367.405 2.979 0 50 FFAA COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CCCCC1=O)N(C)CC3)OCO2 229998129 LHRYYLLPCVOSQY-KBPBESRZSA-N 359.422 2.671 0 50 FFAA biogenic O=C(C1CCN(c2cnccn2)CC1)N1CCC[C@@H](Nc2ccccc2)C1 126256954 DUAZBQOUPFHFAZ-LJQANCHMSA-N 365.481 2.796 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]([C@@H](C)N)C3)n2)cc1F 262562427 AFNDFCJZJMIAQC-UKRRQHHQSA-N 360.433 2.703 0 50 FFAA COc1cc([C@H](C)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)ccc1F 903114785 HAJAVNDHTDTAQV-PZTNVXNFSA-N 350.478 2.965 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)Cc1cccc(O)c1 918335401 WDZMDYFZEBROLY-HXUWFJFHSA-N 352.434 2.887 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccnn1-c1ccccc1 858008732 WLUIYCOMBBCKIY-QFBILLFUSA-N 351.454 2.863 0 50 FFAA Cc1nc2c(C(=O)N[C@@H](Cn3ccnc3)c3ccccc3)ccnc2n1C 2100480611 JXWKLLIJVVGBDE-KRWDZBQOSA-N 360.421 2.645 0 50 FFAA Cc1ncc2c(n1)CC[C@@H](C(=O)OCc1nc(-c3ccccc3C)no1)C2 2325780746 MSSXOTNWGXLNJT-CQSZACIVSA-N 364.405 2.992 0 50 FFAA CC(C)C(=O)N(C)C[C@H]1CCCN(C(=O)C23CC(C)(C2)OC3(C)C)C1 2325866123 ARDKIMIDVRDNEJ-APMMTJHUSA-N 350.503 2.687 0 50 FFAA CCC[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325866972 GTXMAUYNAAMIFW-DUQJVZAFSA-N 351.535 2.697 0 50 FFAA CC(C)CC(=O)N(C)[C@@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868187 RSJGYKTWNISBEM-OOKSDGMUSA-N 351.535 2.649 0 50 FFAA CN1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 20064307 ITBJZJBYADUQJQ-UHFFFAOYSA-N 371.868 2.757 0 50 FFAA CN1C[C@H](CN(C)c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1=O 2356146851 XQFXQELOKLFRFW-SNVBAGLBSA-N 363.801 2.608 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(c3nc(N(C)C)ns3)C2)c2cccc(=O)n21 2356158499 MRLAKASTRYJGEC-MJBXVCDLSA-N 359.499 2.731 0 50 FFAA COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1Cl 4852867 YLZSHXZOUXAYQC-UHFFFAOYSA-N 355.799 2.629 0 50 FFAA COc1ccc(CN2CCC(N(C)CC(=O)O)CC2)cc1OCC(C)C 414650927 FVGDJRVXCDQTLE-UHFFFAOYSA-N 364.486 2.711 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(O)=Nc2nc3ccccc3n21 8914609 DXLHXLLLWYJEKA-CYBMUJFWSA-N 350.334 2.937 0 50 FFAA O=C1C[C@@H](N2CCSC2=S)C(=O)N1c1cccc(Cl)c1Cl 100740808 XPKCVKRWYAGBFU-SECBINFHSA-N 361.275 2.959 0 50 FFAA Cc1cncc(CNC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c1 134491305 VRKNQBSQTYQYRV-UHFFFAOYSA-N 366.421 2.615 0 50 FFAA CCC(=O)Nc1ccc(OCC(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1 55283360 YJHMWHVRJYWXRD-SFHVURJKSA-N 360.454 2.832 0 50 FFAA Cc1cc(NC(=O)C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)no1 67643368 NULDJTDGIGZZKF-UHFFFAOYSA-N 356.382 2.677 0 50 FFAA COc1ccc(OC)c([C@@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c1 65529121 SFWQAWNRIWWKOG-AWEZNQCLSA-N 373.478 2.912 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@]1(c2ccc(F)cc2)CCOC1 65372226 ZGLKCYCZBDQFEE-HXUWFJFHSA-N 359.445 2.583 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2CCCC[C@H]21 229732338 GDJQCFPNUVCIKM-JLSDUUJJSA-N 364.511 2.978 0 50 FFAA Cc1nc(S)sc1CC(=O)Nc1nc(Br)ccc1O 121577576 XHGSHTGUZOHWQZ-UHFFFAOYSA-N 360.258 2.785 0 50 FFAA Cc1cc(C)n(CC[C@@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)n1 65399228 DTRKUQWNXQGEAT-CQSZACIVSA-N 350.426 2.812 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccncc3)C2=O)cc1 67541822 ABJYNPPNFAUHLR-QFIPXVFZSA-N 367.493 2.848 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1cnn(C)c1)CC2 1506417624 RZENBQYCNBUFAL-NRFANRHFSA-N 364.449 2.980 0 50 FFAA Cc1ccc(C)c(C(=O)CCC(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)c1 328991607 FPWOUVWIPQREOA-KUHUBIRLSA-N 371.437 2.946 0 50 FFAA Nc1nn(-c2ccccc2)nc1C(=O)OCc1cccc(Br)c1 1080520 YJZHADQHCRDOIT-UHFFFAOYSA-N 373.210 2.969 0 50 FFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2nn3cccnc3c2Cl)c1 2793852 FLFDUBNCGLROGT-SNVBAGLBSA-N 360.801 2.891 0 50 FFAA O=C(O)c1cccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c1 5010228 PZAJMRBLHUIYFJ-AWEZNQCLSA-N 371.370 2.507 0 50 FFAA O=C(N[C@@H](CO)c1ccccc1)c1ccc(I)cc1 6241999 UXOFQMISTCGMPW-AWEZNQCLSA-N 367.186 2.755 0 50 FFAA CC(C)c1ccc(-n2cc(CN3CCN(C(=O)N(C)C)CC3)cn2)cc1 215847417 IMPDBAQWYAALCU-UHFFFAOYSA-N 355.486 2.795 0 50 FFAA CC1CCN(Cc2cccc(CNC(=O)[C@H](C)C[S@](C)=O)c2)CC1 253420735 LGTNPDGFZIEEKA-GYCJOSAFSA-N 350.528 2.549 0 50 FFAA Cc1nc(NC[C@@H](NCc2ccccc2)C(F)(F)F)c2cnn(C)c2n1 253420607 YYAWEAJFFLIKDU-CQSZACIVSA-N 364.375 2.804 0 50 FFAA COc1ccc(Br)cc1CC(=O)N1CCC[C@@H]([C@H](C)N)C1 237113942 NHSIMNZVWMJRDP-NWDGAFQWSA-N 355.276 2.586 0 50 FFAA C[C@@H]1NCCC[C@H]1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 262851758 ZSXRXBUJDYZBBH-HNAYVOBHSA-N 364.449 2.784 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)[C@H]3CCCN3CC)CC2)OC1=O 77358744 GAOYSWJVSBAKTB-QGZVFWFLSA-N 365.518 2.720 0 50 FFAA CC[C@H](CO)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72133834 NZWUEEZVTGYYSS-OAQYLSRUSA-N 366.505 2.586 0 50 FFAA OC1(Cn2ccnc2)CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1 72476459 UBWATQSUNWKZRE-UHFFFAOYSA-N 374.448 2.624 0 50 FFAA Cn1ccnc1[C@H](NC(=O)COCC(F)(F)C(F)F)c1ccccc1 218792728 XLKMRAFHZDELAN-CYBMUJFWSA-N 359.323 2.543 0 50 FFAA CN1C(=O)[C@@](CC(=O)NCC(F)F)(Cc2ccccc2)c2ccccc21 71735902 CQJUGYSHCGFRJG-HXUWFJFHSA-N 358.388 2.915 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CCC([C@@H]2CCOC2)CC1 373252135 LAUIGJREEUZRSJ-CQSZACIVSA-N 361.408 2.918 0 50 FFAA COc1cccc([C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)c1OC 215541097 NZFPDHDWKYCVQS-MRXNPFEDSA-N 365.437 2.873 0 50 FFAA Cc1cc(-n2cccn2)ccc1-c1nccn1C[C@@H](C)N1CCN(C)CC1 77556216 NXCCRBKQEFAXQP-GOSISDBHSA-N 364.497 2.680 0 50 FFAA CCn1c(N[C@H]2CC(=O)N(c3ccccc3OC)C2=O)nc2ccccc21 18028755 PWXPCNUZDTZBTH-AWEZNQCLSA-N 364.405 2.809 0 50 FFAA O=C(NC[C@H](O)CN1CCCCC1)c1cnc(-c2ccccc2F)s1 160348421 CGLAJOKAPVAZPU-ZDUSSCGKSA-N 363.458 2.526 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3scc4c3OCCO4)CC2=O)cc1 82087724 RGZYSZVIOJDONV-CYBMUJFWSA-N 372.446 2.705 0 50 FFAA CN(Cc1cccc(Cl)c1)C(=O)CC[C@@]1(CCC(=O)O)CCC(=O)N1 222290725 ZLLZAARWFHOCSQ-GOSISDBHSA-N 366.845 2.592 0 50 FFAA COc1ccccc1OC1CN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C1 426536211 BAIBMOIVBAPHBL-UHFFFAOYSA-N 369.421 2.973 0 50 FFAA C[C@H](NC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)C(=O)O 426489455 ZQLQKYLQBUTQAZ-JTQLQIEISA-N 360.332 2.731 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)n[nH]2)s1 221452953 OJTVRUIZRVHTJP-GFCCVEGCSA-N 371.466 2.743 0 50 FFAA CN(C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C)C1CCOCC1 426392785 JZMUSYQJOCRMEY-UHFFFAOYSA-N 370.375 2.913 0 50 FFAA CCCCSc1nc(N)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 95356243 FCUUFGQXIIEVNT-UHFFFAOYSA-N 371.510 2.913 0 50 FFAA CCN1CC2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)CC1=O 95527732 IPBJLWRANXPYNV-UHFFFAOYSA-N 352.438 2.551 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@H](c1ccccc1F)N(C)C 95371211 CRWQUYRXQJHTJS-KRWDZBQOSA-N 369.400 2.532 0 50 FFAA Cc1nc(=O)c2c(C)c(C(=O)N(C)[C@@H](C)c3c(C)n[nH]c3C)sc2[nH]1 426690198 ALGJMGJQIRAYEB-JTQLQIEISA-N 359.455 2.775 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91270302 LIPUWPCNEGTNRJ-OAQYLSRUSA-N 355.482 2.798 0 50 FFAA O[C@H](CN1CCN(Cc2nc3ccccc3[nH]2)CC1)c1ccccc1F 180987943 ACHRNWRUTTYSAF-LJQANCHMSA-N 354.429 2.553 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(c2cnc3ccccc3n2)C1 95529886 UOZWFQCDGOCBTH-INIZCTEOSA-N 350.470 2.772 0 50 FFAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N(C)CCC[C@H]1CCCO1 96166941 FBDIHORMJZQPBZ-HNNXBMFYSA-N 369.487 2.789 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCn1nnc2ccccc21 91326627 AMTWSLNWSUNQPG-QGZVFWFLSA-N 363.465 2.806 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(c2ncccc2F)CC1 91586541 GDAKCKRIRLBJHT-UHFFFAOYSA-N 369.448 2.769 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cn3c(C)cccc3n2)C1 91305075 DOKYNTIEDGFSMK-INIZCTEOSA-N 367.453 2.505 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1n[nH]c2ccc(Br)cc12 182580786 KUPSKOAVLXPJNU-CQSZACIVSA-N 360.211 2.789 0 50 FFAA Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N[C@@H](C)Cc1ncccc1C 96140945 LGGSKTKZVNXDTI-AWEZNQCLSA-N 365.441 2.642 0 50 FFAA CC[C@H](NC(=O)Nc1ccc(Cc2n[nH]c(C)n2)cc1)c1nc(C)no1 96131869 RPZQVGKJQFCLEC-AWEZNQCLSA-N 355.402 2.668 0 50 FFAA O=C(Nc1ccc(F)c(F)c1)[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 244209041 VTCGRMBWMWPUQH-VXGBXAGGSA-N 360.316 2.907 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCCc3nc4ccccc4o3)C2)n1 534676055 GKBLOMMRPKFEIF-HNNXBMFYSA-N 353.426 2.840 0 50 FFAA CN(Cc1n[nH]c2c1CCC2)C(=O)NCc1nc(C2CCCCC2)no1 534662725 DYGIOUWGWIKLHJ-UHFFFAOYSA-N 358.446 2.671 0 50 FFAA COc1cccc2c1NC(=O)C[C@@H]2C(=O)Nc1nc(C)c2cc(C)oc2n1 1940195637 UBADOLMMXOBMOU-ZDUSSCGKSA-N 366.377 2.913 0 50 FFAA Cc1n[nH]c(C)c1-c1cccc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1 299797092 UCGUHYBEJXSMQH-UHFFFAOYSA-N 368.437 2.750 0 50 FFAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1cccc(-c2nccs2)c1 299800184 VUPSLALGZCRVMT-INIZCTEOSA-N 365.462 2.999 0 50 FFAA Cc1cc(C)n2c(C(=O)N[C@@H](C)c3nc4c(s3)CCCC4)nnc2n1 299763716 ZSJHUDIWXYMQGP-NSHDSACASA-N 356.455 2.567 0 50 FFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)NCCc2ccnn2C)cc1 299768404 NEPWEJNATZLRDM-UHFFFAOYSA-N 368.441 2.502 0 50 FFAA CCn1nc(C)c(-c2cccc(C(=O)NCCCn3ccnn3)c2)c1C 299780569 TWVOHIYQPVUOJG-UHFFFAOYSA-N 352.442 2.598 0 50 FFAA COc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1C 299775792 JUNSTAAEQYAGSS-UHFFFAOYSA-N 364.453 2.618 0 50 FFAA Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCNCC3)c1 299790426 BGACYTYSIWJWHV-KRWDZBQOSA-N 355.486 2.558 0 50 FFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c2ccccc12 299783251 ZIALEWFRCYGJLH-ONTRVFCTSA-N 355.434 2.993 0 50 FFAA CC(C)(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)cs1)c1cccnc1 826848975 DGTYMTHBTDNNKM-ZDUSSCGKSA-N 367.496 2.698 0 50 FFAA C[C@H]1CN(C(=O)c2cc3ccc(Cl)c(F)c3[nH]2)C[C@@]2(CCOC2)O1 1875274296 FOQMRCGASAZCKH-DYZYQPBXSA-N 352.793 2.980 0 50 FFAA Cn1c(=NCCCN=c2ccc(C(F)(F)F)c[nH]2)[nH]c2c(F)cccc21 1875331260 AZAUGNFWKFFGIC-UHFFFAOYSA-N 367.350 2.884 0 50 FFAA CO[C@@H](C(=O)NC[C@H](N)c1ccc(F)cc1F)c1cc(F)cc(F)c1 1875344705 JILYGAFHJZQYHM-JKSUJKDBSA-N 356.319 2.747 0 50 FFAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(N)c(Cl)c2)c(F)c1 1875325077 QHRCQWBNVKDPQH-VIFPVBQESA-N 370.833 2.908 0 50 FFAA COCc1csc(C(=O)N[C@@]2(C)CCN(Cc3cncc(C)c3)C2)c1 1875406506 GCOFYXDBMTVQTI-IBGZPJMESA-N 359.495 2.992 0 50 FFAA O=C(Nc1ccccc1OCCc1ccccn1)N1CC[C@@H]2CNC[C@@H]21 1076020323 WXRLIHLYXKPCIZ-QAPCUYQASA-N 352.438 2.529 0 50 FFAA CC(C)(C)CCS(=O)(=O)NC(=O)c1ncccc1OCC(F)(F)F 170656586 AUSYJXDNQJXQAI-UHFFFAOYSA-N 368.377 2.519 0 50 FFAA CCO[C@H]1C[C@@](NC(=O)Cc2c[nH]c3c(C)cccc23)(C(=O)O)C1(C)C 193050740 YRSHCWJFLMKTIB-MGPUTAFESA-N 358.438 2.793 0 50 FFAA C[C@](O)(CNC(=O)c1coc(C2CCOCC2)n1)c1ccccc1Cl 790075754 NBBZSDVTMUBGJB-SFHVURJKSA-N 364.829 2.860 0 50 FFAA CCc1c(C)noc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2OC)C1 1506422247 NECTWANIFLRYPV-CQSZACIVSA-N 357.410 2.541 0 50 FFAA CN(C)c1ccc(C(=O)N2CCCN(Cc3ccc(Cl)o3)CC2)cn1 1529159577 SJFOYXIRNWVQRZ-UHFFFAOYSA-N 362.861 2.742 0 50 FFAA O[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccccn1 1529167332 GTJJZLXOQMJVAB-DENIHFKCSA-N 351.494 2.581 0 50 FFAA CC(=O)N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1c1ccc(C)cc1 222476730 GXVHBGALWOOIPN-CABCVRRESA-N 364.371 2.912 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3n[nH]c4ccccc34)C1)CC2 1704297044 DQBIYYQKDNGLJV-NRFANRHFSA-N 361.449 2.710 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2ccnc(O)c2)CC1 1772812555 NCSFCPNDHOOKBU-AWEZNQCLSA-N 356.422 2.969 0 50 FFAA COc1ccc2c(C)cc(N3CC[C@@H](O)[C@@](CC4CC4)(C(=O)O)C3)nc2c1 1772711013 VOWTUJRPGIQQIP-NQIIRXRSSA-N 370.449 2.994 0 50 FFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1c1nc2c(c(C(F)(F)F)n1)CCCC2 1772704918 JBYIKRQNXFBAOG-GHMZBOCLSA-N 354.376 2.574 0 50 FFAA C[C@H](NC(=O)C1CC1)c1nnc(SCCOc2ccc(F)cc2)n1C 11908956 KQPAQGWXNCAECP-NSHDSACASA-N 364.446 2.713 0 50 FFAA O=C(NCc1cccnc1N1CCc2ccccc2C1)[C@@H]1CCCCO1 11950395 NAERLZBPWOWVGG-IBGZPJMESA-N 351.450 2.830 0 50 FFAA COCc1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)s1 12091964 SDMOCIATKOVXJJ-LJQANCHMSA-N 362.495 2.759 0 50 FFAA CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(=O)N1CCCCC1 15922114 CGGQDSPUUJQXIP-SFHVURJKSA-N 354.454 2.732 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(F)c(F)c1)CCCC3 169778396 WMDCTMFUNAYKCZ-UHFFFAOYSA-N 372.375 2.760 0 50 FFAA CCOCCOC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 1777861 BDKQRGMZUMUBMC-UHFFFAOYSA-N 371.389 2.675 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)NCc2cccnc2)c2c(C)cc(=O)oc2c1 5244696 NYMLEOHBFDGXAC-AWEZNQCLSA-N 352.390 2.889 0 50 FFAA O=C(CCCc1ccccc1Cl)N[C@H]1C[C@H](Cn2cccn2)C[C@@H]1O 1857531234 SQEYHOFJWHKXNJ-WBAXXEDZSA-N 361.873 2.815 0 50 FFAA Cc1nc(C(=O)N(CC2CC2)C2CCCCC2)nc(N2CC[C@@H](N)C2)c1C 1857532591 WVURCZSVFOUYJI-QGZVFWFLSA-N 371.529 2.816 0 50 FFAA O=C(c1ccc(OC(F)F)cc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1875247229 GNFSUDJASIDYMO-IRXDYDNUSA-N 363.360 2.863 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1c1ccccc1 213082849 UTLVKYIRCYUKFQ-CVEARBPZSA-N 363.369 2.733 0 50 FFAA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 329103109 NOZJGFNPBLNQLN-BSDSXHPESA-N 367.497 3.349 0 50 FFAA CC(C)[C@@H](C(=O)N1CCOC2(CCCC2)C1)n1nnc(-c2ccccc2)n1 151357483 SXSXBJHUKZELRE-KRWDZBQOSA-N 369.469 2.709 0 50 FFAA CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](N(C)C)CC2)c1Br 365305848 CDIHXVKEDOGTTK-LLVKDONJSA-N 357.296 2.852 0 50 FFAA COc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cn1 789314232 QELPVQXFAMXTPH-LBPRGKRZSA-N 367.236 2.801 0 50 FFAA O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2ncon2)cc1 157042255 MLQLQHVNYLGKAJ-KRWDZBQOSA-N 368.437 2.648 0 50 FFAA Cn1cnc(-c2ccc(NC(=O)c3ccc4n3CCNC43CCC3)cc2)n1 2325801123 WYCBXQWCCKRIAX-UHFFFAOYSA-N 362.437 2.518 0 50 FFAA COC(=O)[C@H](NC(=O)c1cc2ccc(OC)cc2n1C)[C@@H]1C[C@H]2CC[C@H]1C2 2325826966 QVHFWBBSILJYMA-QOFYIIDASA-N 370.449 2.895 0 50 FFAA CN1CCN(c2ncc(Br)cc2C(F)(F)F)C[C@@H]1CF 2325867892 INRWOAZLSDOQAG-VIFPVBQESA-N 356.161 2.953 0 50 FFAA CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 1162524 BOAVWNOODJQXIG-HNNXBMFYSA-N 366.236 2.948 0 50 FFAA CN(C)CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356139242 OMKRXCMRHCKJOD-NRFANRHFSA-N 350.466 2.512 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(C)n(C(F)F)n3)C1)CC2 2356147496 YPPCTUSXFFPTLH-SFHVURJKSA-N 361.396 2.805 0 50 FFAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCC1 6697273 GTKWUQRGPXYILS-UHFFFAOYSA-N 356.875 2.751 0 50 FFAA CCN1CCO[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O 8570017 DSUZJTFMOJOPGY-GFCCVEGCSA-N 364.751 2.935 0 50 FFAA Cc1nnc(SCCCNC(=O)c2[nH]nc3c2C[C@H](C)CC3)s1 55280928 QYZHGDQCKNYRPN-SECBINFHSA-N 351.501 2.607 0 50 FFAA COc1cccc([C@H]2CNC(=O)c3nc(-c4nccn4C(C)C)[nH]c3C2)c1 65494042 CIOPHMHSZHMMEJ-CQSZACIVSA-N 365.437 2.932 0 50 FFAA Cc1c(C)n(-c2ccccn2)c2ncnc(NCCCN3CCOCC3)c12 20546841 IQVMNFOBSHTDGM-UHFFFAOYSA-N 366.469 2.567 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2cn(C)c(=O)c3ccccc23)nc1C 61720552 STBWEOKFQRVKCR-UHFFFAOYSA-N 371.418 2.732 0 50 FFAA CCn1nccc1NC(=O)Cn1cc(-c2ccc(-n3cccn3)cc2)cn1 23506891 BVNCOIPEYSDSET-UHFFFAOYSA-N 361.409 2.591 0 50 FFAA Cc1cc(-n2c(SCC(=O)O)nnc2-c2ccccc2Cl)n(C)n1 65385871 MAHSRWGIYDXCHH-UHFFFAOYSA-N 363.830 2.806 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)C1 330133874 RMDRAQKXJXVWCO-CGTJXYLNSA-N 371.543 2.930 0 50 FFAA CCC[C@@]1(C2CCN(C(=O)Nc3c(C)cccc3C)CC2)NC(=O)NC1=O 67605641 XFVUEMBTWHNJQE-FQEVSTJZSA-N 372.469 2.926 0 50 FFAA COc1ccc2cnn(CC(=O)NC3CCCCCCC3)c(=O)c2c1OC 61718629 HGQHIRYKVDTEMI-UHFFFAOYSA-N 373.453 2.643 0 50 FFAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC(CCc3ccccc3)=NO2)CC1 11911394 VQYSOPUWMFVRAF-SFHVURJKSA-N 373.453 2.501 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)C2)c1 229723307 YRWPYURHGGFYDM-MAUKXSAKSA-N 351.450 2.863 0 50 FFAA Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C 170625552 SYSVIVQMJMUZSM-AWEZNQCLSA-N 372.450 2.599 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NC[C@H](CO)C(C)C)c1 330675576 JKOHVXRDZKATNR-RTBURBONSA-N 360.498 2.679 0 50 FFAA C[C@@H]1Oc2ccccc2N(CC(=O)N(C)c2nc3ccccc3o2)C1=O 121290390 TVRANMPCUYWODE-LBPRGKRZSA-N 351.362 2.605 0 50 FFAA Cc1cc(-n2nc(C3CC3)nc2-c2cnc3sccn3c2=O)ccn1 65526750 PUHRVBBGDLURID-UHFFFAOYSA-N 350.407 2.585 0 50 FFAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccccc1OCc1ccc(F)cc1 282156796 PXTDYJOSHNFJTC-GUYCJALGSA-N 356.397 2.802 0 50 FFAA Cc1cc(N2CCC[C@H](Nc3ncnc4cc(F)c(F)cc34)C2=O)n(C)n1 172810357 PRUFVKJVMKTZSJ-AWEZNQCLSA-N 372.379 2.557 0 50 FFAA NC(=O)c1csc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 363213417 UMIXCXRABPUJNS-NSHDSACASA-N 363.870 2.757 0 50 FFAA CC(C)Nc1ncc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cn1 72137154 XZQKTBBSERKKCJ-LJQANCHMSA-N 367.497 2.734 0 50 FFAA Cn1ncc2c(N3CCO[C@@H](C(F)(F)F)C3)nc(C3CCCC3)nc21 72162450 YVLMITZWJRYQCG-GFCCVEGCSA-N 355.364 2.788 0 50 FFAA Cc1ccc(N2CCC(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)CC2)nc1 173446417 IDQCCHSWVLUDMK-OAHLLOKOSA-N 369.513 2.704 0 50 FFAA CC[C@@H]1CN(C(=O)c2cn(C3CCNCC3)nn2)CC[C@H]1c1ccccc1 236973294 WWHUBHRWHKVSTE-VQIMIIECSA-N 367.497 2.859 0 50 FFAA O=C(CC1(O)CCC1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 448749330 FPCZQJKCASHEPA-GOSISDBHSA-N 365.433 2.974 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)s1 263075264 AVNJBPFVZOTMFA-STQMWFEESA-N 359.403 2.637 0 50 FFAA COc1ccc(CNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1O 457837144 YKCDCLPFDARSAQ-MRXNPFEDSA-N 360.385 2.823 0 50 FFAA COc1nc(C)c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)s1 77438594 AGKQGNFNKWEUES-UHFFFAOYSA-N 371.506 2.775 0 50 FFAA CC[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCC(=O)N1Cc1ccccc1 71750979 HXNCZQRCJRZFAP-KRWDZBQOSA-N 366.465 2.940 0 50 FFAA Cc1nn2c(ncc3c(=O)n(CCc4cnc[nH]4)ccc32)c1-c1ccccc1 40396301 KNCCNGSKONRUPP-UHFFFAOYSA-N 370.416 2.985 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCSCc1ccccc1)C2 222728973 SBZXWDQDLFXWNN-HNNXBMFYSA-N 359.495 2.992 0 50 FFAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(O)nc(N)n2)cc1 426612212 CFDWXVWVAFAKOM-INIZCTEOSA-N 370.453 2.853 0 50 FFAA CCN1C[C@@H](NC(=O)c2ccc(-c3cc(OC)cc(OC)c3)cc2)CC1=O 426512326 UIEJGNGSSSZBGW-KRWDZBQOSA-N 368.433 2.721 0 50 FFAA Cc1nc(N2CCN(c3nsc4ccccc34)CC2)c2cnn(C)c2n1 95386537 FKFFBNZDQHUYNF-UHFFFAOYSA-N 365.466 2.608 0 50 FFAA CN(CCCc1nccn1C)C(=O)Nc1cccc2c1OC(F)(F)O2 96139369 PQWRYFCBBRIONF-UHFFFAOYSA-N 352.341 2.838 0 50 FFAA O=C(CSc1ncccn1)N1CCC(c2nccn2CC2CCC2)CC1 91943637 MNYRBHXSADJFCR-UHFFFAOYSA-N 371.510 2.972 0 50 FFAA COc1ccnc(-c2cccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)c2)n1 426604675 XLEUQAWCSYQCDS-GFCCVEGCSA-N 351.410 2.545 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nn(C)c3ccc(C)cc13)C2 91326668 YCUPANFNWRGNJW-HNNXBMFYSA-N 365.433 2.758 0 50 FFAA CCNc1ncc(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)cn1 91663420 SNNGCILVFGJSPR-UHFFFAOYSA-N 363.421 2.852 0 50 FFAA Cc1sc2nc(CNC(=O)c3cc(C(C)C)n4ncnc4n3)cn2c1C 91657353 KSTKBVZFVHVSHS-UHFFFAOYSA-N 369.454 2.504 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccc3nccnc13)C2 91254830 ZIFMGDDITOSZHP-JKSUJKDBSA-N 364.449 2.659 0 50 FFAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NS(=O)(=O)N(C)C)cc1 91755005 SYHQILFDMHWWAN-INIZCTEOSA-N 362.499 2.590 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)NCCSCc2cccc(Cl)c2)C1 95376306 OYIFIRRDPQXRRQ-HNNXBMFYSA-N 354.903 2.948 0 50 FFAA O=C(NC[C@H]1CCc2ccccc2O1)C1CCN(C(=O)C2CCC2)CC1 91808921 OQFHBTKVTHFQAI-GOSISDBHSA-N 356.466 2.535 0 50 FFAA CSCc1nc(CCNC(=O)c2cccc(-n3cnnc3)c2)cs1 91475013 KUHPBCHAVMATKH-UHFFFAOYSA-N 359.480 2.559 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1noc(C3CCCC3)n1)C2 95356376 QPGHKHHBIUBCJZ-HNNXBMFYSA-N 371.437 2.646 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC(N2CCSCC2)CC1 97696394 KSOMYNPADSZROL-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA NC(=O)C1CCN(C(=O)c2cccc(-c3ccc4c(c3)CCO4)c2)CC1 244828527 TXUFUCKUUHVBIB-UHFFFAOYSA-N 350.418 2.626 0 50 FFAA COc1nc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)n[nH]1 182998227 BNWCKDXTJUSFGC-UHFFFAOYSA-N 363.374 2.549 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccsc1 298178240 XWJYYDQPULAGSC-LBPRGKRZSA-N 355.437 2.559 0 50 FFAA O=S(=O)(c1cccc(F)c1F)N1CC[C@@H](Oc2cccc(F)c2)C1 183245572 BITXQLDSBJDCDU-CYBMUJFWSA-N 357.353 2.946 0 50 FFAA COC(=O)[C@@H](C)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 252550325 SIRMMZSFTXADKP-GFCCVEGCSA-N 351.358 2.751 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn(Cc2ccccc2)c1 299327656 BNIDNLXXOAFNAI-NJAFHUGGSA-N 353.422 2.789 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 299747993 FSLHKMSHTJQJMU-XPLICSAQSA-N 365.227 2.698 0 50 FFAA Cc1nn(C(F)F)cc1-c1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1 534664037 UPRLPRTUXADGCI-LLVKDONJSA-N 360.368 2.664 0 50 FFAA O=C(O)c1csc(S(=O)(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 185085370 GWFDJXYIFSNEGJ-AWEZNQCLSA-N 366.464 2.712 0 50 FFAA CCc1nccn1CCC(=O)NC[C@@H]1CCCN(Cc2ccc(C)o2)C1 823557454 QSUNJADNVSIYGM-KRWDZBQOSA-N 358.486 2.765 0 50 FFAA O=C([C@@H]1CCCC[C@@H]1c1nc(-c2ccccc2)nn1CCO)N1CCCC1 828778538 VOEKSOHWAZTKST-ZWKOTPCHSA-N 368.481 2.834 0 50 FFAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCC(=O)Nc1nncs1 828005519 HFGSFHFFFQSTMQ-CYBMUJFWSA-N 374.466 2.984 0 50 FFAA CC[C@@H](NC(=O)NCCNC(=O)c1cccnc1)c1ccc(C)cc1C 584902916 GWCLZOKIJLRSEI-GOSISDBHSA-N 354.454 2.879 0 50 FFAA Cc1cccc(CC2(NC(=O)N3CCN(C4CCCC4)C(=O)C3)CC2)c1 584888640 LQQAQLYXMRVMCU-UHFFFAOYSA-N 355.482 2.867 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)NCc1ccc(C)c2ncccc12 584901384 TUFGUEZOBNLARH-UHFFFAOYSA-N 367.453 2.635 0 50 FFAA CCn1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2F)n1 1875339699 URZSJAIAXMCAOM-UHFFFAOYSA-N 366.187 2.745 0 50 FFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cnn(-c2cccc(Cl)c2)c1 1875399739 ILWKNSIYLRJZTD-GDIGMMSISA-N 371.872 2.652 0 50 FFAA C=CC(=O)NC[C@@H]1CN(C(=O)CCOc2cc(C)ccc2C)CC[C@H]1C 1875386143 JXSJJNAQBLURLL-SJLPKXTDSA-N 358.482 2.859 0 50 FFAA C[C@H](C[C@@H](O)c1ccccc1)NC(=O)NC1CCC(N2CCCC2=O)CC1 1875326693 HZLIWIMTSVSBQE-JYPHPWERSA-N 373.497 2.731 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)CCc3c(C)nn(C)c3C)[C@H]2C)o1 952852753 QURXVHOVRCMZHA-HOCLYGCPSA-N 359.474 2.710 0 50 FFAA CO[C@H]1C[C@@H](CNc2nc3cccc(F)c3o2)N(c2cc(C)ncn2)C1 952850537 NKKDSYDEDIANLC-STQMWFEESA-N 357.389 2.771 0 50 FFAA CC(C)c1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccnc3[nH]cnc23)o1 1875404576 NFPXPSWRQPUDCX-VOJFVSQTSA-N 352.398 2.616 0 50 FFAA CCc1noc(C)c1C(=O)N1CCC[C@]2(C3=CCOCC3)COCC[C@@H]12 1076052960 GGGLCLCWPLGVCP-YLJYHZDGSA-N 360.454 2.903 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)CCc2ccc(F)cc2F)C1 888076829 KTBFMUNGKDKYSD-JQHSSLGASA-N 352.425 2.655 0 50 FFAA C[C@@H](c1cnccn1)N1CCN(CCOc2ccc3c(c2)CCC3)CC1 170596958 QPZQEJXHNGVJEC-KRWDZBQOSA-N 352.482 2.723 0 50 FFAA CC[C@](C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O 97758817 SGXRGVNSKNQWSC-FQEVSTJZSA-N 368.412 2.608 0 50 FFAA in-vitro CCc1n[nH]c(-c2ccccc2NC(=O)Cc2n[nH]c3c2CCCC3)n1 189037090 PEJFRQLEKBHRJW-UHFFFAOYSA-N 350.426 2.817 0 50 FFAA C[C@@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1 190509723 XKBCIPIYDCWANR-DYVFJYSZSA-N 352.438 2.602 0 50 FFAA CCN1C(=O)N[C@H](c2ccccc2Br)C(C(=O)OC)=C1C 1074934 CNYVMTDZXGHDMX-CYBMUJFWSA-N 353.216 2.982 0 50 FFAA O=C1N(c2ccccc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 1124465 QMQLALPFQLXRBP-JKSUJKDBSA-N 362.838 2.952 0 50 FFAA O=C(O)c1c(N2CCC[C@H](CN3CCOCC3)C2)noc1-c1ccccc1 1772702694 VBBVJCUDHMJENV-OAHLLOKOSA-N 371.437 2.588 0 50 FFAA COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 11813477 DEVRHMIDZZYBLC-UHFFFAOYSA-N 371.485 2.510 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 12588172 JVAYQNCZDYKLBG-INIZCTEOSA-N 364.873 2.513 0 50 FFAA O[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@H]1N1CCOCC1 12763101 KASJITHESFTNBX-HUUCEWRRSA-N 366.914 2.822 0 50 FFAA O=C(CSc1ccccn1)N[C@H]1CCCN(CCc2ccccc2)C1 15072049 NWFIZSIOYOWZEF-SFHVURJKSA-N 355.507 2.997 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 6715352 NPRFPORHLJRTSB-GNNGFNCTSA-N 360.429 2.611 0 50 FFAA CCNC(=O)c1cccc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)c1 1857691752 BXVTVEQEFKYYDX-UHFFFAOYSA-N 360.421 2.949 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(C4CCCC4)C[C@]34CC[C@H]2O4)cnc1C 1857719362 KUBFEDOYJTZIFK-GPQLQYNLSA-N 369.509 2.850 0 50 FFAA O=C(NC1CCOCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857733249 BGMXAZXPNUEGSU-LBPRGKRZSA-N 363.845 2.993 0 50 FFAA COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc(C)c1C 1808651 OIDDOXKDCRQUHP-CYBMUJFWSA-N 373.434 2.913 0 50 FFAA O=C(CN1CCCS1(=O)=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 117191872 ZPQXCIONBMRXQQ-INIZCTEOSA-N 370.902 2.819 0 50 FFAA Cc1nc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)nn1-c1ccc(Cl)cc1 237388855 KNBNZSLNAVHYBF-SNVBAGLBSA-N 362.817 2.554 0 50 FFAA Cn1cnc2cc(C(=O)N3CCN(C(=O)CC4CCCCC4)CC3)ccc21 129636491 GBSMHGFOUADJKT-UHFFFAOYSA-N 368.481 2.828 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(Cl)cc1O 248033901 MPCZYRTUIFPMBK-HIFRSBDPSA-N 374.872 2.814 0 50 FFAA CCOc1ccccc1C(=O)N1CCN(C[C@H](O)CC2CCCC2)CC1 252480916 CGIRPPABYDAYKD-GOSISDBHSA-N 360.498 2.784 0 50 FFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)CN(C)C)O2 20600966 RWDWPICNQOUDBA-QGZVFWFLSA-N 352.434 2.538 0 50 FFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 373752154 MXYKOFZRFBPAES-KRWDZBQOSA-N 370.497 2.827 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 1704328205 LGIVCJMLVLOUAQ-QRWLVFNGSA-N 354.425 2.895 0 50 FFAA Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)c1c(CN)cnn1C 2325760832 PPFKDQZBQIHADV-SNVBAGLBSA-N 373.457 2.941 0 50 FFAA O=S(=O)(c1ccc(N[C@@H]2CCNCCC2(F)F)cc1)C(F)(F)F 2325766157 JPYDNLXBBDYKME-LLVKDONJSA-N 358.332 2.779 0 50 FFAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C[C@H]2CCCOC2)s1 2325781466 ROSKLRNXPITWJX-TZMCWYRMSA-N 360.483 2.904 0 50 FFAA O=C(O)c1csc(CCNC(=O)c2csc(Cc3ccccc3)n2)n1 2325805434 IHPWCVFWOPVMRR-UHFFFAOYSA-N 373.459 2.861 0 50 FFAA CCCCC(=O)NCC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)CC2 2325867354 SYTHQGONHTXWBS-AWEZNQCLSA-N 359.470 2.728 0 50 FFAA CC[C@H](CNC(=O)CC1CC2(CC2)C1)NC(=O)Cc1cc(C2CC2)on1 2325867531 ZDMKYGZFIIGNCN-OAHLLOKOSA-N 359.470 2.686 0 50 FFAA Cc1ccc(C)n1CC(=O)NC[C@@H](NC(=O)c1cc(F)c[nH]1)C(C)(C)C 2325870975 XHRWDAURSUZVRS-MRXNPFEDSA-N 362.449 2.533 0 50 FFAA Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 1833557 DNUFZRMOQOOXQF-RUDMXATFSA-N 361.375 2.592 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)c3ccc(=O)n(C)c3)cn2)c1 2356158084 CGJQERUCZDGUNE-UHFFFAOYSA-N 351.362 2.834 0 50 FFAA Cc1nc[nH]c1CN1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356166822 AZCDYNAAKMBSRF-OAQYLSRUSA-N 352.482 2.918 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C[C@H]21 2356170128 WGUKZUNGZRYURD-FVJLSDCUSA-N 371.481 2.538 0 50 FFAA O=C(CC[C@@H]1CCCO1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 115157246 AJKFXYNXZIPOTR-PMACEKPBSA-N 360.498 2.507 0 50 FFAA C[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(OC(F)F)cc1 248497642 LRCGVERLMOUCHE-SIMVJXQJSA-N 370.421 2.919 0 50 FFAA Cn1nccc1C(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20410630 WEECFDAMMRWXOR-UHFFFAOYSA-N 353.253 2.685 0 50 FFAA COC(=O)[C@](NC(C)=O)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F 3622280 HECBNSNERYSGAL-NSHDSACASA-N 374.237 2.565 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@]1(C)CCCNC1 67935004 APSBIJKKDIZFPF-HXUWFJFHSA-N 355.438 2.888 0 50 FFAA COc1ccc2[nH]nc(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)c2c1 468355101 CDADLVPZLCSKOB-UHFFFAOYSA-N 369.331 3.288 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2nc3ccccc3o2)C1 72419500 VEZMNTSXCDPCCB-OAHLLOKOSA-N 366.469 2.936 0 50 FFAA CCc1c(C(=O)N2CCC3(CC2)CN(C)CCN3C)[nH]c2ccccc12 67723543 ZDVNJQHHTQECAP-UHFFFAOYSA-N 354.498 2.582 0 50 FFAA CC(C)=CCN1C(=O)N[C@](Cc2ccccc2F)(C2CCNCC2)C1=O 67786210 BCHZUIKGUDCRCP-HXUWFJFHSA-N 359.445 2.625 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1C 65429098 AXNOPJVWCNTXFE-MRXNPFEDSA-N 373.453 2.539 0 50 FFAA O=C(NCC1(O)CCCCC1)c1cc(COc2c(F)cccc2F)on1 67843331 ACGBXISRVOSTNR-UHFFFAOYSA-N 366.364 2.957 0 50 FFAA CN(C)c1ccc(CN2CCC(c3nnc4n3CCCCC4)CC2)cn1 215806625 MROLMVMDXQZGIH-UHFFFAOYSA-N 354.502 2.845 0 50 FFAA Cc1nc(N2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)CC2)sc1C 126398420 SOAONMVWKDYYLG-OAHLLOKOSA-N 370.478 2.535 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F 152463050 RSASEMGPYKGVDJ-MNOVXSKESA-N 362.421 2.929 0 50 FFAA Cc1nc(N)sc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72438660 KSKLZBMKTXQNAG-UHFFFAOYSA-N 360.527 2.760 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1cc(OC)ccc1-n1cccn1 77565989 VLVYWCLCONTLOJ-LJQANCHMSA-N 356.470 2.714 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCn3cncc3C1)O2 72121648 MTSCBBRPHNHBNG-FQEVSTJZSA-N 355.438 2.640 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3cc(F)ccc3OC)C2)CCC1=O 77455918 DSIVXZQKYICINA-HXUWFJFHSA-N 364.461 2.685 0 50 FFAA Cc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccc(C)o3)C2)c[nH]1 72473648 AQWDAQXNWQFVEI-QFBILLFUSA-N 356.470 2.675 0 50 FFAA O=C(NCCCN1CCCc2ccccc21)c1cn(-c2ccccc2)nn1 72129043 KXHNNJPPSJIKOU-UHFFFAOYSA-N 361.449 2.840 0 50 FFAA O=C(CCCn1cncn1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 77342699 ZTKMYIZKSOYTHY-INIZCTEOSA-N 356.405 2.828 0 50 FFAA CNc1ccnc(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 71762898 ISQHWLXVCZMYOG-QGZVFWFLSA-N 371.460 2.921 0 50 FFAA O=C(Cc1ccccc1F)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 219266902 HUOGQFJFBOJQPI-HXUWFJFHSA-N 357.429 2.831 0 50 FFAA C[C@@H]1CCCN1C(=O)c1cn2cc(-c3ccccc3Cl)n(C)c(=O)c2n1 72475680 ZALKPKZREPVPNB-GFCCVEGCSA-N 370.840 2.978 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)CSc2ccccc2)CC1 219488725 OYQDOUKOAMLKLR-SFHVURJKSA-N 361.555 2.797 0 50 FFAA CCNC(=O)C[C@H]1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1 284747225 LGZKOQSLZHENCJ-MRXNPFEDSA-N 364.515 2.539 0 50 FFAA COc1cc(NC(=O)N2CC[S@@](=O)C(C)(C)CC2)cc(OC)c1C 459590229 JMPXEBFPXMZFLJ-XMMPIXPASA-N 354.472 2.777 0 50 FFAA CCc1cnc(CN(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 175467619 PHGZQLQWSOYXCF-LLVKDONJSA-N 352.481 2.850 0 50 FFAA Cn1cc([C@H]2CCCN2Cc2ccccc2OCC(=O)N2CCCC2)cn1 131940776 PXZGDXPNHTXKCC-LJQANCHMSA-N 368.481 2.758 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 82100136 KEYAZRZIDUUYQK-GFCCVEGCSA-N 351.809 2.998 0 50 FFAA Cn1ncc2cc(-c3ccc(C(=O)NCC(=O)N4CCCC4)cc3)ccc21 426496992 OKXPKKOZPUGRGS-UHFFFAOYSA-N 362.433 2.593 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1nnc(C2CCCCC2)s1 43727917 IVHRJUISIHJMBK-UHFFFAOYSA-N 369.450 2.934 0 50 FFAA Cn1cncc1-c1cccc(C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 426433666 OJZOWMKWJSMXOC-YJBOKZPZSA-N 374.444 2.508 0 50 FFAA c1coc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 91616491 WFWVSQSQCNJCOK-UHFFFAOYSA-N 352.442 2.830 0 50 FFAA COc1ccc(CN2CC(n3nc(C)cc3C)C2)cc1Cn1cccn1 97522723 AENLYHJYFWHDDD-UHFFFAOYSA-N 351.454 2.810 0 50 FFAA COc1cccc(CCNC(=O)CN2C[C@H](C)Oc3ccc(C)cc32)c1 239672526 BTQBOAUXSMLAKS-INIZCTEOSA-N 354.450 2.950 0 50 FFAA COc1ccccc1C1CCN(c2nc(N)nc(C)c2CCC(=O)O)CC1 95365802 TYPBVIQJFZJWOJ-UHFFFAOYSA-N 370.453 2.777 0 50 FFAA Cc1cc(Br)ccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 239173559 OERNYIBFGASXJL-VMOOEMLUSA-N 350.212 2.894 0 50 FFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CCC(=O)N(C)C2)CC1 91586300 XWWLFPVBHMSPFR-UHFFFAOYSA-N 370.902 2.672 0 50 FFAA Cc1cc2nc(C(=O)N3CCCC[C@@H]3CCn3cccn3)cc(C)n2n1 91320702 HMCGMUHTWPMOPF-MRXNPFEDSA-N 352.442 2.628 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]2NC(C)=O)cc1 95525311 LPJCEKSCIPKMPH-VQTJNVASSA-N 367.449 2.509 0 50 FFAA Cc1nccn1CCC(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91594412 SZYOJMAHYDIMEU-NRFANRHFSA-N 372.513 2.755 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 91676934 FPOHHJXVODRFIO-FQEVSTJZSA-N 358.438 2.589 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1c(C)cccc1C)CCN2C 91793951 YBGMKJNVPKYUOR-NRFANRHFSA-N 372.513 2.854 0 50 FFAA COc1ccc([C@H](NC(=O)c2csc(C)n2)[C@H]2C[C@@H](O)C2)cc1F 244633450 GDGCDQHETFKRLS-OZVIIMIRSA-N 350.415 2.841 0 50 FFAA COc1cc(NC(=O)CCN2CCC[C@H](c3nccn3C)C2)cc(OC)c1 252483768 FHZZZWYPOKANSO-HNNXBMFYSA-N 372.469 2.646 0 50 FFAA Cc1cccn2c(CC(=O)NCC[C@@H]3COc4ccccc4O3)cnc12 65369751 ACAHENKCUOCJKB-MRXNPFEDSA-N 351.406 2.532 0 50 FFAA COc1ccc(CCN2C(=O)CC[C@@H]2CCNCc2ccccn2)cc1 299784772 KSFPIUAONKGDPN-LJQANCHMSA-N 353.466 2.804 0 50 FFAA COc1ccc(-c2cc(CNC(=O)N3CCC[C@@]4(CCNC4)C3)on2)cc1 659594985 HDIQBKOBPABIBF-FQEVSTJZSA-N 370.453 2.635 0 50 FFAA Cc1[nH]c2ccccc2c(=O)c1CC[C@@H](C)NCCN=c1cc[nH]cc1C 821175204 KXCBQOWRYOXAMK-MRXNPFEDSA-N 364.493 2.985 0 50 FFAA O=C(c1c[nH]nc1[C@@H]1CCCO1)N1CCN(c2ccc(F)cc2F)CC1 870131072 GSGJKLAXYVSSBA-INIZCTEOSA-N 362.380 2.502 0 50 FFAA C[C@H](NC(=O)N1CCC[C@@H](c2cc(O)cc(F)c2)C1)[C@@H](C)n1cncn1 1875294887 XZLZOCGAYWJQAM-BFHYXJOUSA-N 361.421 2.662 0 50 FFAA O=C(NC[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1cc(Cl)c[nH]1 1875296492 ZLNMXWFHOGXXJF-SECBINFHSA-N 355.225 2.542 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(Cc4cccnc4)CC3)n[nH]c21 1875293196 GJWWFXDDCIWTRQ-KGLIPLIRSA-N 354.454 2.922 0 50 FFAA COCC1(CN=c2cc(C)nc(N(C)c3ccccc3)[nH]2)CCOCC1 1875361009 NIWRJYFGLIKGRO-UHFFFAOYSA-N 356.470 2.830 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 1875373834 QDXGRFOVYQENFK-INIZCTEOSA-N 354.381 2.708 0 50 FFAA Cc1nc(Cl)[nH]c(=N[C@@H]2C[C@@H]3CN(C(=O)C4(C)CC4)C[C@@H]32)c1Cl 1875405982 UASBVHUBQVLTCZ-OUAUKWLOSA-N 355.269 2.573 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H](C)CN(C(=O)C3(C4CC4)CC3)C[C@H]2C)[nH]1 1875405078 PACARMLHORSWFU-CHWSQXEVSA-N 358.486 2.526 0 50 FFAA CC(C)c1ccc(C(=O)OC[C@@]2(c3ccccc3)CNC(=O)C2)c(O)n1 1348598846 XYTVZAOWVUCHNB-FQEVSTJZSA-N 354.406 2.525 0 50 FFAA CN1CC[C@@H](O)[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 1565507250 NLJZXKUGBFALSU-OTWHNJEPSA-N 358.869 2.858 0 50 FFAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)c3ccc(C)s3)C[C@@H]21 1565531418 CDWOTZHLJOYODO-DJJJIMSYSA-N 373.430 2.768 0 50 FFAA Cn1c(CN2CCC[C@@H](Cn3ccnn3)C2)nnc1-c1ccc(Cl)cc1 186408831 HBYZHPQIIVTTJY-CQSZACIVSA-N 371.876 2.639 0 50 FFAA COc1cc(NC(=O)N2CCC[C@H]2CN2CCCC2)ccc1NC(C)=O 171521184 KHVLHNLKYKKDPB-INIZCTEOSA-N 360.458 2.746 0 50 FFAA O=C(NCCOc1ccc(F)c(F)c1)N1CCC([C@@H]2CCCO2)CC1 187506611 WCTQVMRTCFTSHE-KRWDZBQOSA-N 354.397 2.944 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2(c3ccccc3)CC2)OCC(=O)N1C 1529118519 LYCHMSRDYBTLAS-UXHICEINSA-N 364.445 2.699 0 50 FFAA O=C(O)[C@H](c1cc2ccccc2s1)N1CCC(N2CCOCC2)CC1 1529118263 HSAUQQJEIABQHY-SFHVURJKSA-N 360.479 2.824 0 50 FFAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3ccccc3C)CC[C@@H]21 213149884 QBYKLKCSRSNACZ-UXHICEINSA-N 372.509 2.804 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(CCCn3cccn3)CC1)OCC2 1704341357 ZRWONWVJIPXORA-UHFFFAOYSA-N 371.481 2.854 0 50 FFAA COc1ccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 782988 NRUOKEKWAQVCBR-UHFFFAOYSA-N 374.481 2.715 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)N1C[C@@H]2COCC[C@]2(CO)C1 1772707274 ZULOYHFVMWAQDY-AUUYWEPGSA-N 361.463 2.798 0 50 FFAA O=C(Cc1ccccc1Cl)N1CCCN(Cc2ccc(CO)o2)CC1 1772805093 YJGHNALKRFGSSO-UHFFFAOYSA-N 362.857 2.702 0 50 FFAA COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)cc2)cc1 845612 CKDQDBKBPOSDFI-QGZVFWFLSA-N 369.446 2.832 0 50 FFAA CCOC(=O)c1ccc(CNC(=O)c2cc(Cc3ccccc3)no2)o1 11789151 NNLIFMCMSUSFPT-UHFFFAOYSA-N 354.362 2.965 0 50 FFAA COc1cccc2c(C)cc(=O)n(CC(=O)N3CCc4ccccc4C3)c12 12000241 RYXXCYFMMSNTLS-UHFFFAOYSA-N 362.429 2.903 0 50 FFAA O=C(NCCn1cccn1)c1coc(COc2ccc(F)cc2Cl)n1 12198786 YQIODQXOXYUJSP-UHFFFAOYSA-N 364.764 2.673 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@H](Cc2ccccc2)C1 12301642 RSCZWLGWEYWVFR-GOSISDBHSA-N 353.418 2.818 0 50 FFAA Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)n1C 12316754 AOBHDJBPRBEZAA-LJQANCHMSA-N 364.453 2.517 0 50 FFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(CC(C)(C)C)C2)cc1 12479396 ZQGFCUBWDUFDSI-OAHLLOKOSA-N 354.516 2.732 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCN3CCCO3)C2)cc1 12704282 QEQICQUZFMQMII-OAQYLSRUSA-N 373.541 2.993 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)no1 13745702 GVADDLCHASPHEU-GFCCVEGCSA-N 363.439 2.656 0 50 FFAA COc1cccc(OCc2nc(C(=O)NCc3cccc(C)n3)co2)c1 15068669 AAVUIQBOJLRCIZ-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA CSc1ncc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)cn1 19758768 KGLTZPVJKIZBCP-SFHVURJKSA-N 364.559 2.647 0 50 FFAA COc1cc(C(=O)Nc2ccccc2N2CCOCC2)cc(OC)c1OC 3560450 BIHTXHHUBMNKOJ-UHFFFAOYSA-N 372.421 2.801 0 50 FFAA Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4186460 QNCJBVMQILHYLX-QGZVFWFLSA-N 361.438 2.964 0 50 FFAA CCn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1cc2occc2[nH]1 1857532744 OPIQIFJJEDHIAB-XHDPSFHLSA-N 355.398 2.691 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1cc(C)c(C)cc1OC 1857677310 VTTLKBCANNGLMK-QGTPRVQTSA-N 353.484 2.626 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2nc3ccccc3[nH]c2=O)C[C@H](C2CC2)O1 1875241514 XDCJNGTUBOFMIM-RHSMWYFYSA-N 355.438 2.733 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cc1 220208518 RNBLCEMMVMQNSW-MOPGFXCFSA-N 364.445 2.958 0 50 FFAA C[C@H]1OCC[C@]1(O)CNC(=O)c1cnc(-c2ccccc2Cl)s1 225723472 VSTXUADOHDDXDO-HWPZZCPQSA-N 352.843 2.733 0 50 FFAA CC(=O)Nc1ccc(CNCCNc2nccc(C(F)(F)F)n2)cc1 119568990 ISNIMLVWZBUAJD-UHFFFAOYSA-N 353.348 2.656 0 50 FFAA CC(C)(C(=O)N1CCN(C(=O)c2ccc(Cl)cn2)CC1)c1ccccc1 332518906 JFURHBBFYULRPM-UHFFFAOYSA-N 371.868 2.997 0 50 FFAA OC[C@H]1CCCN(c2cc(N3CCCc4ccccc4CC3)ncn2)C1 333740860 VTYMSFJWPJDLOI-KRWDZBQOSA-N 352.482 2.681 0 50 FFAA CN1CCN(CCCNC(=O)C2[C@@H]3CCCC[C@@H]23)[C@@H](c2ccccc2)C1 242284638 YIJRWLCCJBJQOF-VAMGGRTRSA-N 355.526 2.918 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 706426 HPDOYDSJYJHZDQ-DZGCQCFKSA-N 350.802 2.690 0 50 FFAA CCn1c(CCN)nnc1Sc1nc2ccc(Br)cc2o1 2325767232 GWVXTKHXHWWFSC-UHFFFAOYSA-N 368.260 2.854 0 50 FFAA Brc1cccn2cc(CN3CCNC[C@@H]3c3ccccn3)nc12 2325783499 BHEHMYDAIXDMJA-MRXNPFEDSA-N 372.270 2.638 0 50 FFAA O=S(=O)(N[C@@H]1C[C@H]2c3ccccc3CC[C@H]12)c1c[nH]nc1C(F)(F)F 2325794557 HMFYZIZLFPBMCL-RWMBFGLXSA-N 371.384 2.825 0 50 FFAA COC(=O)c1nc(N2CCN(c3cc(C)ccn3)CC2)c2sccc2n1 2325802235 SHJATVUURAIGST-UHFFFAOYSA-N 369.450 2.508 0 50 FFAA OC[C@@H](Nc1nc(C(F)(F)F)ns1)[C@@H](O)c1ccc(Cl)cc1 882648519 CLIQEFOFIAAQKX-BDAKNGLRSA-N 353.753 2.717 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(F)c(F)c3)C1)CC2 2356145155 DGPZFUCNFUVGSN-FQEVSTJZSA-N 372.419 2.941 0 50 FFAA Cn1ncc2ncc(C(=O)N3CCC4(CC3)OCCc3ccsc34)cc21 2356157107 ACYZPTOCDRSLBE-UHFFFAOYSA-N 368.462 2.734 0 50 FFAA Cc1cc(Cl)cc2c(N3CCC4(CC3)OCC[C@H](O)[C@@H]4O)ccnc12 2356157367 HQUQAPLQUSQHQT-WMZOPIPTSA-N 362.857 2.678 0 50 FFAA O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCCC1 6703410 JJUMBBUTBLIODN-UHFFFAOYSA-N 372.490 2.863 0 50 FFAA Cc1cc([C@@H](C(=O)O)N2CCN(Cc3ncccc3C)CC2)ccc1F 55060800 FUEBTXLPJMMVHP-IBGZPJMESA-N 357.429 2.781 0 50 FFAA Cc1cccc(C[C@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1 100730986 XXDXEQIMGGQNKH-KRWDZBQOSA-N 351.402 2.884 0 50 FFAA CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cn2nc(C)cc2C)cc1 55099074 DNPUYHAOWKBUTJ-HNNXBMFYSA-N 356.470 2.986 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc(=O)[nH]1 23191725 DPTQAHFSSOALHR-AWEZNQCLSA-N 355.467 2.705 0 50 FFAA COc1cccc2c1OCC(CN1CCCN(C(=O)c3ccco3)CC1)=C2 65494820 AFDJJNGTCSYXIA-UHFFFAOYSA-N 368.433 2.912 0 50 FFAA COc1ccc(OC)c(CN2CCc3nc[nH]c3[C@H]2c2ccccn2)c1 67855908 WGTOEDKPSWJOAQ-HXUWFJFHSA-N 350.422 2.970 0 50 FFAA CC(C)c1cccc(-n2cc(O)c(C(=O)NC[C@@H]3CCCC[C@H]3O)n2)c1 469699471 GDTUGMMJISURGX-DOTOQJQBSA-N 357.454 2.982 0 50 FFAA Cc1nc2n(CC(=O)Nc3cccc(C)c3C)c(C(C)C)cc(=O)n2n1 252498385 RAUMWNKAZWNQGZ-UHFFFAOYSA-N 353.426 2.578 0 50 FFAA CCOC(=O)c1cnn(-c2ccccn2)c1CN(C)[C@H](C)c1ccon1 23366794 BCPGLDIBUFTEPK-CYBMUJFWSA-N 355.398 2.625 0 50 FFAA O=C([C@H]1Cc2ccccc2O1)N1CCN(c2nsc3ccccc23)CC1 33548446 YXBDHTACIQDRGS-QGZVFWFLSA-N 365.458 2.949 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCN(C(C)C)[C@H](CCO)C1 39485944 IQUWILPSKDPGRH-HXUWFJFHSA-N 374.504 2.905 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc3c(C)cccn23)cn1 328645202 SCMBSOACJHLMAJ-AEFFLSMTSA-N 352.442 2.809 0 50 FFAA O=C(c1ccccc1)N1CCC(C(=O)N2CCOC[C@@H]2c2ccco2)CC1 363254612 JITFPVBCWHSTGU-GOSISDBHSA-N 368.433 2.732 0 50 FFAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 363702322 BLDRAHNMKGGUKV-NQIIRXRSSA-N 356.466 2.826 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCN(C)CC3)n2n1 72477030 ATQLKDLLVZCYCY-UHFFFAOYSA-N 364.497 2.754 0 50 FFAA CC(C)(C)c1ccc([C@@H](CNC(=O)c2csnn2)N2CCOCC2)cc1 32497966 SOXBKGXHSCAHFF-QGZVFWFLSA-N 374.510 2.639 0 50 FFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)c1cccc(Br)c1 331214745 NHMZSKHPJSFJOQ-ZNMIVQPWSA-N 356.260 2.660 0 50 FFAA COc1ccc(NC(=O)C(F)(F)c2ccccn2)c(Br)n1 156505995 AGFZJDGLBIVICJ-UHFFFAOYSA-N 358.142 2.978 0 50 FFAA COc1ccc(F)cc1C(=O)NCCc1csc(-c2ncccn2)n1 219687661 NMTNOIVUCWDRKG-UHFFFAOYSA-N 358.398 2.720 0 50 FFAA CC1(C)CCc2sc(NC(=O)N3CCC(N4CCCC4=O)CC3)nc21 333593732 VMBFQMBCVPLXLX-UHFFFAOYSA-N 362.499 2.986 0 50 FFAA CCc1nc(C)sc1C(=O)N1CCc2c(nc(C)nc2N2CCCC2)C1 72166194 HQXYECQMLITOQL-UHFFFAOYSA-N 371.510 2.911 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3cncnc3C)CC2)OC1=O 77439775 XZYJAXCQNSNTLK-UHFFFAOYSA-N 360.458 2.792 0 50 FFAA CCn1nc(C)cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72149749 SLFQFJJSZTUDLD-HMXCVIKNSA-N 364.493 2.914 0 50 FFAA COc1cc(CN2C[C@H]3CC=CC[C@H]3C2)cc(OC)c1O[C@@H](C)C(=O)O 71753661 UNXQXSNWICUBRC-CWRNSKLLSA-N 361.438 2.954 0 50 FFAA O=C(CCCn1ccnc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 77457929 URWZFWSFGSYILN-UHFFFAOYSA-N 356.514 2.776 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 17075899 QJYMVHPWVBCBQO-VKYMVXLJSA-N 370.449 2.998 0 50 FFAA O=C(c1ccc(-c2nccs2)cc1)N1CCC(N2CCOCC2)CC1 426538606 QCTNREKERCVVTM-UHFFFAOYSA-N 357.479 2.747 0 50 FFAA Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)c1 223869224 RCQBZGNNOKWFAX-FQEVSTJZSA-N 369.509 2.871 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@H](O)c2ccccc2F)CC1(C)C 220441771 SIVXJYREERMDOC-LJQANCHMSA-N 372.440 2.995 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 222437830 NGFKCPSHSBXVEX-WOJBJXKFSA-N 373.424 2.603 0 50 FFAA CCCc1nnsc1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91713771 IYOCLHDCOSRCCF-UHFFFAOYSA-N 371.466 2.530 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNc1cc(C(=O)N3CCCC3)ccn1)C2 92037537 WAXYYVNMZMNURU-OAHLLOKOSA-N 367.449 2.989 0 50 FFAA Cc1ocnc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95504060 TWGPPAWFDGAGDM-ZDUSSCGKSA-N 357.439 2.704 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnc(-c4cccnc4)nc3C)C2)n1 95356561 FSIOUKKSZVIHTL-KRWDZBQOSA-N 362.437 2.748 0 50 FFAA COc1ccc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2NC(C)=O)cc1 91665451 GEFAGPNRVDFMSU-FXAWDEMLSA-N 362.433 2.747 0 50 FFAA O=C(COc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1)N1CCCCC1 96141526 WGNRJCIWCXNMSR-OAHLLOKOSA-N 357.410 2.632 0 50 FFAA CCCCSc1nc(N)cc(N2CCCN(C(=O)C3CCC3)CC2)n1 95372073 BVFFWMHMTKOTIL-UHFFFAOYSA-N 363.531 2.790 0 50 FFAA O=C(NC1CC1)c1ccnc(N2CCC(c3nccn3CC3CC3)CC2)c1 95521354 IQQDPEMWQNCBNI-UHFFFAOYSA-N 365.481 2.964 0 50 FFAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCNC(C)=O)CC2)C1 92082071 WHMBFCBJVXKFEH-HXUWFJFHSA-N 371.525 2.631 0 50 FFAA CC(C)(C)C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(F)(F)F 181794332 JAZJTRQCYSLYSD-LBPRGKRZSA-N 359.396 2.675 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOC(C)C 182361172 PUCUKZCBCSRGGI-IBGZPJMESA-N 359.470 2.537 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc1N1CCNC1=O 299766642 KJOAQLKKEKIUGC-GOSISDBHSA-N 365.433 2.818 0 50 FFAA Cn1ncc2cc(NC(=O)N3CCCC[C@@H]3CCN3CCCC3=O)ccc21 299781276 UHHOEMLTWBEHQU-QGZVFWFLSA-N 369.469 2.972 0 50 FFAA CCn1cc(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)cn1 299778265 PCYFYVGACIGINC-HXUWFJFHSA-N 370.497 2.753 0 50 FFAA Cc1nc(N)nc(-c2ccc(C(=O)NCC3(O)CCCCC3)cc2)c1Cl 584900801 MVGNCWQEOTZRSI-UHFFFAOYSA-N 374.872 3.113 0 50 FFAA Cc1cncc([C@H]2CCCN2S(=O)(=O)c2c3c(nn2C)CCCC3)c1 867889026 YVUFUBWZMOSGPS-QGZVFWFLSA-N 360.483 2.528 0 50 FFAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2CCN(c3cc(O)ncn3)CC2)C1 1875306928 QANPSHVJGBZFKO-MGPUTAFESA-N 358.486 2.826 0 50 FFAA Cc1[nH]nc2c1C[C@H](NC(=O)c1cc(Cl)c(Br)[nH]1)CC2 1875307806 LIPYTGSABCCHQN-SSDOTTSWSA-N 357.639 2.749 0 50 FFAA Cc1ccc2ncc(NC(=O)[C@H]3CN(C(=O)C(C)(C)C)CCO3)cc2c1 1875302226 FHYGBAUIKQRPRH-QGZVFWFLSA-N 355.438 2.755 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc3n[nH]c(C)c3c2)cc1 1875267770 ZANBGWNDTJFPPO-ZDUSSCGKSA-N 371.462 2.772 0 50 FFAA O=C(NCCCN1CCOCC1)Nc1ccc(Oc2ccccc2)nc1 1875253066 JSHBFLPKBVPFSK-UHFFFAOYSA-N 356.426 2.718 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)CCN1CCCCCC1=O)N(C)C 952963094 HPTWBWOAOJCDDM-OAHLLOKOSA-N 351.516 2.568 0 50 FFAA CN1CC[C@@H]2CN(C(=O)c3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 898161037 NCHFLDUSIIRHFV-OLZOCXBDSA-N 362.271 2.954 0 50 FFAA COc1ccc([C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H]2N(C)C)cc1 1565510333 JNCJDDUIFHHKBM-UXHICEINSA-N 371.481 2.789 0 50 FFAA Cc1ncsc1C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 275264975 IPIRVOWCLJGLNT-GFCCVEGCSA-N 350.444 2.856 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@@H](n3cncn3)C2)ncn1 275486786 AHNFAEUYJZLGHE-GJYPPUQNSA-N 371.489 2.525 0 50 FFAA CCc1noc(C2CCC(N[C@H]3CCO[C@@H](c4cncn4C)C3)CC2)n1 275604983 QQPWQZANQSBCMO-UMPYDWHISA-N 359.474 2.902 0 50 FFAA C[C@@H](CC(=O)Nc1ccccc1)N1CCCN(C(=O)c2ccoc2)CC1 170591807 YKNCWUJLDAIUTE-INIZCTEOSA-N 355.438 2.845 0 50 FFAA Cc1cccc(-n2c(C)c(C)c3c(NC(=O)[C@H]4COCCO4)ncnc32)c1 191960146 IFXAKINUHDWZCQ-MRXNPFEDSA-N 366.421 2.700 0 50 FFAA COc1ccccc1-n1ncc(C(=O)N2CCOc3ncc(C)cc32)c1C 194829380 POEXRSNGXQSEKT-UHFFFAOYSA-N 364.405 2.932 0 50 FFAA CCc1c(C)noc1NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 1506426266 FEXUXEHNWRNBEO-UHFFFAOYSA-N 369.425 2.521 0 50 FFAA COc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1 1176030 WKYHXCGDGWTSQA-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 5051416 QDMRYMPYKXJHMO-GOSISDBHSA-N 356.853 2.842 0 50 FFAA COCCNC(=O)c1ccc(OC2CCN(CC3CC3)CC2)c(Cl)c1 11718155 SJHYBEFKXPVLQG-UHFFFAOYSA-N 366.889 2.969 0 50 FFAA O=C(CSc1ccccn1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 11938440 OVAWJAJHZUQNGI-SFHVURJKSA-N 367.518 2.922 0 50 FFAA COCCNC(=O)CCC1CCN(C(=O)Nc2cccc(F)c2)CC1 12439742 GSBBUWLAWINOFE-UHFFFAOYSA-N 351.422 2.612 0 50 FFAA COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O 6018556 PJQLSMYMOKWUJG-UHFFFAOYSA-N 374.345 2.906 0 50 FFAA endogenous,in-man O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1cccs1)N1CCOCC1 15017225 ZCBLFLABFHEDIL-PKOBYXMFSA-N 356.447 2.847 0 50 FFAA CO[C@@H]1CCCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)C1 15073103 IGBVLHMIHOABGX-QGZVFWFLSA-N 372.469 2.664 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccccn2)CC1 6742325 NKLPBUORDHVGNC-UHFFFAOYSA-N 360.845 2.504 0 50 FFAA CCN(CC)[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1ccco1 157934395 YAKGWIVYKPJHFY-KRWDZBQOSA-N 359.474 2.975 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCCc1nc(-c2cccnc2)no1 1857678379 WWRUTBZTDRAHRB-YRNRMSPPSA-N 370.453 2.606 0 50 FFAA O=C(c1ccc(C(F)(F)F)nc1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1 1857719993 ZEWVMWQYZOKDPP-HOCLYGCPSA-N 366.339 2.675 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@H](N)C[C@@H]1C 237509016 XCMCZOSCCXPIQC-NHCYSSNCSA-N 359.239 2.694 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1 14964365 KDDXVBPCSPWOKU-AWEZNQCLSA-N 373.453 2.727 0 50 FFAA CCCc1cc(NCCN2CCOCC2)n2nc3nc(C)cc(C)c3c2n1 20548814 HWIJORQZCHANEL-UHFFFAOYSA-N 368.485 2.591 0 50 FFAA O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCCC2(CCCCC2)CC1 377065308 GFERABMSDMTKEU-INIZCTEOSA-N 356.532 2.957 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 265898615 UDCFMTCCYULGRM-GOSISDBHSA-N 372.446 2.917 0 50 FFAA O=C(C[C@H](NCc1ccco1)C(=O)O)Nc1cccc(C(F)(F)F)c1 4304359 QBVFPPZJKYXGGZ-ZDUSSCGKSA-N 356.300 2.870 0 50 FFAA CCSC1(C(=O)N[C@H]2Cc3ccc(Br)cc3NC2=O)CC1 2325781527 BMKQCIAAGVYKPA-LBPRGKRZSA-N 369.284 2.714 0 50 FFAA CN(C)Cc1csc(CNC(=O)c2nc3cc(F)ccc3s2)n1 2325791599 WOSNFCPPESIDBM-UHFFFAOYSA-N 350.444 2.884 0 50 FFAA CC(=O)N[C@]12CCOC[C@@H]1CN(C(=O)c1ccc(C3=CCCC3)cc1)C2 2325848282 CTWVKVKLGWOOLE-FPOVZHCZSA-N 354.450 2.621 0 50 FFAA CCCC[C@@H](C)C(=O)NC[C@@H]1CCC[C@H](CNC(=O)c2cncn2C)C1 2325855336 SWEJHSRXEDZTRB-ZACQAIPSSA-N 362.518 2.899 0 50 FFAA COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C)cc2)S(C)(=O)=O)cc1 662150 URAXJQATBWAQKC-AWEZNQCLSA-N 362.451 2.797 0 50 FFAA c1ccc(Cc2nc3n(n2)CCN(Cc2cccc4c2OCO4)CC3)cc1 2356152168 CVLPXDDDHZKXEL-UHFFFAOYSA-N 362.433 2.656 0 50 FFAA CC(C)=CCN1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCc2ccccc2C1 2356164976 NZTTWRYFHVZXEZ-SFTDATJTSA-N 353.510 2.686 0 50 FFAA COc1cc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc(OC)c1OC 101748940 QRZACNFXIUSQBK-YQQAZPJKSA-N 374.481 2.659 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642797 KJYIVXDPWBUJBQ-KIUOMDKCSA-N 368.470 2.978 0 50 FFAA in-vitro CC[C@@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2C(N)=O)C1 101706351 YVRHSUGNLSZWEK-SHTIJGAHSA-N 372.490 2.897 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)Cc3csc(C)n3)nc2)C1 20272786 NVTCSDJXCYLAPS-OAHLLOKOSA-N 374.510 2.982 0 50 FFAA CCNc1cc(NCCNC(=O)Nc2ccc(F)cc2F)nc(C)n1 65364520 XOCJNAQBDLDLHH-UHFFFAOYSA-N 350.373 2.729 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n[nH]1 177897398 KVERSLPXQQWRJA-NADMHLTPSA-N 367.497 2.690 0 50 FFAA CC(C)(C)OC(=O)CNCC1CCN(C(=O)OCc2ccccc2)CC1 309866150 MLYVHPCWDBDKRX-UHFFFAOYSA-N 362.470 2.967 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)N1CCCC1 67821181 MPKQAOKARKDVFW-HNNXBMFYSA-N 355.438 2.983 0 50 FFAA O=C(CN1CCC[C@H]1Cn1cc(C2CC2)nn1)N1CCC[C@@H]2CCCC[C@@H]21 328927522 FXMHGOQCLXXPQN-BJLQDIEVSA-N 371.529 2.801 0 50 FFAA COc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1O 72157219 LANOLISOIGLTCF-HNNXBMFYSA-N 358.413 2.934 0 50 FFAA CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)CC2(C(=O)OC)CCC2)s1 253429961 VWNVJQJQALCPEZ-GFCCVEGCSA-N 374.528 2.680 0 50 FFAA Cc1cc(N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)n2nccc2n1 72447871 IXEHMTLTSMDCGG-HNNXBMFYSA-N 361.409 2.867 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 71315448 RQNMSAGKWRTKNJ-AWEZNQCLSA-N 366.396 2.924 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 372832128 SDQCBIFNAKAMDO-GJZGRUSLSA-N 362.499 2.632 0 50 FFAA CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1 72439604 BIALOEQWAILCND-UHFFFAOYSA-N 367.478 2.853 0 50 FFAA C[C@H](NC(=O)N1CCOCC(F)(F)C1)c1cnn(Cc2ccccc2)c1 460958383 OMNVZCRDORFIMQ-AWEZNQCLSA-N 364.396 2.670 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1cc(Cl)ccc1OCC(=O)O 77471946 BLTQUPJCMKOEGN-OAHLLOKOSA-N 368.861 2.636 0 50 FFAA CCc1nc(N)sc1C(=O)N1CC[C@@H](c2cc(OC)ccc2OC)C1 77285601 MICSZVNERHHCRY-LLVKDONJSA-N 361.467 2.935 0 50 FFAA CCc1cnc(CCNC(=O)N2CCN(c3nc(C)cs3)CC2)s1 174151322 XMOAFBCXOPKMDF-UHFFFAOYSA-N 365.528 2.545 0 50 FFAA CCN(C[C@@H]1CCCO1)C(=O)c1cnn2c(C(F)(F)F)cc(C)nc12 71775841 IESJCLXPAXSKAM-NSHDSACASA-N 356.348 2.698 0 50 FFAA O=C(c1ccccc1[C@H]1CCNC1)N1CCN(c2ccc(F)cc2)CC1 72131801 IEMQVQSDFFHCAZ-INIZCTEOSA-N 353.441 2.865 0 50 FFAA C[C@H](NC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cnn(C)c1 287340853 FISWYTUAPUTUGH-KLIQENQMSA-N 354.454 2.695 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCc2ccccc2-n2ccnc2C)c1C 223370624 WYQCMPNLKZKPPI-UHFFFAOYSA-N 365.437 2.513 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCNC2)CC1 289145132 FYIYLQMWZNGEQI-OAQYLSRUSA-N 363.505 2.715 0 50 FFAA O=C(c1[nH]nc2c1CCC2)N1CCC(n2cc(-c3ccsc3)nn2)CC1 20209792 RDOWUVRILARTHV-UHFFFAOYSA-N 368.466 2.696 0 50 FFAA Cc1ccc2nc(SCC(=O)N(C)Cc3nncn3C(C)C)[nH]c2c1 82135059 HHVRZSUMFNYMNT-UHFFFAOYSA-N 358.471 2.794 0 50 FFAA CN(CCCn1cccn1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 426668510 XPXJCHCJJADPOI-LJQANCHMSA-N 373.476 2.891 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1ccc2c(c1)CCO2 223184223 UTCQMNMAWOMERM-MJGOQNOKSA-N 357.381 2.727 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)C2 96133372 YPQBKQUUOMYPJD-MRXNPFEDSA-N 365.481 2.829 0 50 FFAA Cc1csc2c(N3CCC(NCCCc4cnn(C)c4)CC3)ncnc12 95521144 ZKXGLURMSYMIBA-UHFFFAOYSA-N 370.526 2.924 0 50 FFAA Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(c2nc3ccccc3o2)C1 95389407 DUUDYLDPTKUTNH-AWEZNQCLSA-N 363.425 2.585 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)o1 91950713 JCKQHHYSXUWWNM-UHFFFAOYSA-N 371.485 2.660 0 50 FFAA NC(=O)CCN(CCc1ccccc1)C(=O)c1ccc2cccc(F)c2n1 91906601 RJERWTMXXSCLKE-UHFFFAOYSA-N 365.408 2.934 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 95507857 BCZOLYPJSJBEFT-GOSISDBHSA-N 374.529 2.894 0 50 FFAA O=C(c1cnc(COc2ccccc2)[nH]c1=O)N1CCC[C@@H]1c1ccco1 92080938 RWAJUKJDSPFHDP-MRXNPFEDSA-N 365.389 2.919 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)Cn2c(=O)c(C)nc3ccccc32)no1 95496531 AVJGJVNDIZVKMS-SFHVURJKSA-N 366.421 2.755 0 50 FFAA Nc1nc(N2CCC(c3nccn3Cc3ccccc3)CC2)c2nc[nH]c2n1 95517365 LZMKMIWARINGSA-UHFFFAOYSA-N 374.452 2.564 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 91551836 JXOGHYXBZHVPOY-QFIPXVFZSA-N 372.509 2.842 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCc3c(F)cccc3Cl)o2)CC1 97334263 IAXHJFFOIGJXSY-UHFFFAOYSA-N 365.836 2.750 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)N(C)Cc1nccn1Cc1ccccc1 96141223 ZAHYNVKFVBWGOC-UHFFFAOYSA-N 352.442 2.946 0 50 FFAA C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)[C@@H]1CCCOC1 295772392 BUWLEZVGPXAGNO-ZWNOBZJWSA-N 365.373 2.626 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)CCc2cscn2)CC1 299256635 DHHQGEQYEQYMMX-UHFFFAOYSA-N 357.479 2.805 0 50 FFAA CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)NCc1nnc(N)s1 252478155 AEMZVRTUDOHEIB-NSHDSACASA-N 358.471 2.546 0 50 FFAA Cc1ccc(N2CCCC2=O)c(C(=O)NCc2cc(C(=O)O)c(C)o2)c1 299742284 AYUIPZZOFCEOQD-UHFFFAOYSA-N 356.378 2.651 0 50 FFAA Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCNCC3)c1 299790448 BGACYTYSIWJWHV-QGZVFWFLSA-N 355.486 2.558 0 50 FFAA CNC(=O)c1ccc(CNC(=O)CN2CCC(c3ccccc3)CC2)cc1 299766287 MXXLORLYJQMYHL-UHFFFAOYSA-N 365.477 2.542 0 50 FFAA CCn1c(CCNC(=O)[C@@H]2CC(=O)OC23CCCCC3)nc2ccccc21 299756134 CWCJBHBWIVADNJ-HNNXBMFYSA-N 369.465 2.981 0 50 FFAA COc1cc(NCCNC(=O)c2cnn3c(Cl)cccc23)cc(OC)c1 1875328627 CMNWGDWCSUIFKI-UHFFFAOYSA-N 374.828 2.847 0 50 FFAA CC1(C)CN(CC(=O)NCC(F)F)[C@H]1c1nccn1-c1ccc(F)cc1 952892488 NUKMAMIBHUXTBL-INIZCTEOSA-N 366.387 2.776 0 50 FFAA O[C@]1(c2cc[nH]n2)CCN(c2ccnc3cc(OC(F)(F)F)ccc23)C1 1875288034 LGBXIAVWIOSNSO-MRXNPFEDSA-N 364.327 2.954 0 50 FFAA CCc1ccccc1NC(=O)CCNC(=O)c1cc(C(C)C)nc(N)n1 952990221 LRLCOBRRIHWMGA-UHFFFAOYSA-N 355.442 2.503 0 50 FFAA O=C(O)C[C@@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@@H]1c1cnn[nH]1 1076026458 ZMATYNIEIBUIFO-HIFRSBDPSA-N 359.430 2.531 0 50 FFAA CCn1ncc(C(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)c1C 952970455 SYRZTSZORYFJAO-UHFFFAOYSA-N 369.469 2.888 0 50 FFAA O=C(NCC1CCN(C(=O)c2ncc[nH]2)CC1)c1cc2ccccc2s1 952967167 JTNIHFSFSIPUAG-UHFFFAOYSA-N 368.462 2.907 0 50 FFAA OCc1ccc(O[C@H]2CCOC[C@@H]2Nc2ncnc3ccccc23)cc1 1565526661 NPXFWVIOCMHAHX-OALUTQOASA-N 351.406 2.771 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccnc1SCCc1ccccc1 1565531109 NCDBKQOGHOQSKH-ROUUACIJSA-N 372.490 2.950 0 50 FFAA O=C(Nc1ccc2c(c1)C[C@H](O)C2)c1ccc(OC[C@H]2CCCO2)cc1 170618096 CHZVIFJYCAMOQO-UYAOXDASSA-N 353.418 2.956 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 187045276 RYWKTFVLMQCUFI-NVXWUHKLSA-N 361.392 2.673 0 50 FFAA C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2nc3c(s2)COCC3)C1 408402202 HBVULYYEIRYYRV-DIFFPNOSSA-N 353.488 2.915 0 50 FFAA Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 671215 SAOIUZZZCRDJIE-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)NC2=S)cc1 685076 ORNKEEYCFFZAEN-ZSOIEALJSA-N 354.387 2.686 0 50 FFAA O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCOCC1 902000 BREKNSXXOHVXCW-UHFFFAOYSA-N 373.356 2.706 0 50 FFAA C[C@H](O)c1nc2cc(-n3ccnc3-c3[nH]nc4ncccc34)ccc2n1C 1775980333 YSRGYLXTEWXJMB-NSHDSACASA-N 359.393 2.751 0 50 FFAA O=C(c1cnoc1-c1ccccc1)N1CCCN([C@@H]2CCSC2)CC1 1775977171 HSPBGAHCWNJQEH-MRXNPFEDSA-N 357.479 2.995 0 50 FFAA Cc1cnc(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cn1 11774468 PWBIKIWGIDQRJJ-LJQANCHMSA-N 361.392 2.521 0 50 FFAA O=C(c1cc(COc2cccc3cnccc23)on1)N1CCC[C@@H](CO)C1 11934214 BFSJCMAKAVYGPW-CQSZACIVSA-N 367.405 2.646 0 50 FFAA COc1ccc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)c(OC)c1 12306262 WHAKDZZVNZNLAA-OAHLLOKOSA-N 372.469 2.583 0 50 FFAA CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2F)C1 12307236 SMWUIZIGKURRQJ-ZDUSSCGKSA-N 361.417 3.000 0 50 FFAA O=CN1CCCN(C(=O)c2csc3nc(-c4ccccc4F)cn23)CC1 12444587 WXYFZXPNAMPTHJ-UHFFFAOYSA-N 372.425 2.506 0 50 FFAA CS(=O)(=O)N1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1 13323721 DQHHGADDJZOQLG-UHFFFAOYSA-N 371.915 2.541 0 50 FFAA COCCNCC[C@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 14887867 OODITUBKAHTHFI-CQSZACIVSA-N 360.376 2.702 0 50 FFAA COc1ccccc1CC(=O)N1CCC(=O)N(Cc2ccccc2C)CC1 14986455 AVFRRBDAIKYATO-UHFFFAOYSA-N 366.461 2.807 0 50 FFAA CCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 16651689 DPCVWUMTUCDCBH-UHFFFAOYSA-N 370.540 2.969 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 19782059 CWHZYQOZDJWKMX-QFIPXVFZSA-N 352.478 2.958 0 50 FFAA Cc1ccccc1N1C(=O)C[C@@H](SCC(=O)Nc2ccccc2)C1=O 2861756 WIFLHXVONDJYEN-MRXNPFEDSA-N 354.431 2.999 0 50 FFAA COc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)c(OC)c1 4513040 XZVLILLEIHZTQC-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)C2CCC2)CC12CCN(CC1CCCCC1)CC2 1857691732 BKERZFSRJCKRRZ-SFHVURJKSA-N 362.514 2.992 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@]23CC[C@H]1O3 1857721732 CXKXRLUSDVYGLS-BVIKNXMNSA-N 368.399 2.887 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(C(=O)c3cccc(N(C)C)c3)C1)CC2 1857730040 XBRGJEUTZMYWKB-OAQYLSRUSA-N 366.465 2.677 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCc2c(nc(C(C)C)n2C)C1)c1ccccc1 112666999 MSQJYSIYAQLPAS-QGZVFWFLSA-N 368.481 2.696 0 50 FFAA Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)CCC3CCCCC3)C2)n1 333267767 BZBMMCKNDCCFAS-GOSISDBHSA-N 368.547 2.907 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)CCCOc1ccccc1Br 237586969 SQOOXIGBOQWCMO-QWHCGFSZSA-N 355.276 2.946 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H](C(=O)O)C1 237637154 BHYUUTHVFAXUDA-UWVGGRQHSA-N 374.206 2.679 0 50 FFAA Cc1ccccc1C1(CNC(=O)c2ccc(C(=O)O)nc2)CCOCC1 237694981 PLHQAAMTTKCFPL-UHFFFAOYSA-N 354.406 2.566 0 50 FFAA O=C(O)[C@H]1CCCN(Cc2nc(-c3cccc(Br)c3)no2)C1 238081857 MLJULXOFODVNDM-NSHDSACASA-N 366.215 2.796 0 50 FFAA O=C(O)CCNC(=O)c1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 262514598 PORPSHXMPZULPH-KRWDZBQOSA-N 352.390 2.560 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)Nc3cnn(C4CCC4)c3)ccc2N1 901982090 SNLQGEJOBOBIRN-UHFFFAOYSA-N 360.439 2.684 0 50 FFAA OC[C@]1(NCc2cccc3nc(O)oc23)CCCN(Cc2ccccc2)C1 921749455 KDFOZPHRQUDFHY-NRFANRHFSA-N 367.449 2.650 0 50 FFAA Cc1ncc(CNC(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)o1 854911013 KGSPWKZPNPNNFQ-XLIONFOSSA-N 369.421 2.648 0 50 FFAA C[C@@H](C(=O)O)C(=O)NCc1cc(Br)ccc1Br 263542704 DVWYLICYVLBSFG-ZCFIWIBFSA-N 365.021 2.549 0 50 FFAA CN(C(=O)CCc1nc2cccc(F)c2[nH]1)[C@@H]1CCN(c2ccncc2)C1 2325783824 FKRZURVPFZHZSG-OAHLLOKOSA-N 367.428 2.767 0 50 FFAA Cc1ccccc1N1C[C@H]([C@@H](C)NCCn2nnc3ccccc32)CC1=O 2325807154 FBCZQTGOTOHJLJ-IAGOWNOFSA-N 363.465 2.771 0 50 FFAA N[C@@]1(c2ccccc2)CCN(C(=O)c2cnc(Oc3ccccc3)cn2)C1 2325857716 MPQSPIIGSTWIBW-NRFANRHFSA-N 360.417 2.969 0 50 FFAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC)cc3)N2C1=O 2502895 AHVRYPIGDKCUJM-HIFRSBDPSA-N 360.435 2.907 0 50 FFAA CC1=C(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)OCCO1 2356135684 OOHATFAHQMOSOL-UHFFFAOYSA-N 368.433 2.837 0 50 FFAA CCCCOc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 2838190 GYBXCCZSUXQFHY-UHFFFAOYSA-N 370.405 2.849 0 50 FFAA O=C(c1cccc2nccnc12)N1CCc2nc(-c3ccccc3)nn2CC1 2356140057 RTMNMSMVBCTYSR-UHFFFAOYSA-N 370.416 2.587 0 50 FFAA CCc1ccc(O[C@H](C)c2n[nH]c(=NC(=O)c3ccn(C)n3)s2)cc1 2356149734 UEPJEKGVNYTWEC-LLVKDONJSA-N 357.439 2.648 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3897567 RLSJDLXNDXUIDC-QBNKABOXSA-N 363.479 2.943 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccnc3ccc(C)cc23)CC[C@H]1O 2356159299 UTBUOKSXBIEPRW-YLJYHZDGSA-N 356.422 2.621 0 50 FFAA Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nnc3ccccn23)C1 246973292 GVQNYYVFIZNUCL-QZTJIDSGSA-N 366.465 2.657 0 50 FFAA OCC[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)CCN1C1CCCC1 20599550 ZQCHTRZYSDXCQJ-HXUWFJFHSA-N 372.488 2.823 0 50 FFAA COc1cc(C)c(-c2nc(CN3CC[C@@H](NC(C)=O)C3)c(C)o2)cc1C 67847148 NEXFJFYQHOVXSB-MRXNPFEDSA-N 357.454 2.986 0 50 FFAA O=C(NCc1ccccn1)C1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506420109 URTJNCZMUPLNPX-NRFANRHFSA-N 364.493 2.689 0 50 FFAA Cc1cc(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c2ccccc2n1 119408339 LNSBMTVEVWUKIB-UHFFFAOYSA-N 368.400 2.882 0 50 FFAA CONS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1 230075063 OMDOBLVIDDFANO-RRQGHBQHSA-N 366.483 2.567 0 50 FFAA COC[C@H]1CCCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 20912013 ZTGIHFYABKZEGP-GOSISDBHSA-N 369.465 2.874 0 50 FFAA COc1ccc2cc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cnc2c1 170625142 HKEDDXBPPPGJHL-HNNXBMFYSA-N 363.421 2.889 0 50 FFAA CO[C@H](C)c1noc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328654952 XWMUGFHJNCRRJY-RDBSUJKOSA-N 368.478 2.883 0 50 FFAA COc1ccc(OCn2ccc(C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 2798237 RIVBLQZBIZUYNX-UHFFFAOYSA-N 367.361 2.909 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 77472336 HAEVQKALNBSOFH-JOCHJYFZSA-N 367.489 2.954 0 50 FFAA C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(F)ccc1F 433499421 CMVAJMZOJUGTQF-BDJLRTHQSA-N 353.390 2.978 0 50 FFAA CC[C@H]1CN(Cc2ccc(OCc3noc(C)n3)cc2)C[C@]2(CCOC2)O1 329982764 AOWVGIRTHSGSKC-PXNSSMCTSA-N 373.453 2.727 0 50 FFAA Cc1ccc(-c2nnc(S)n2CCC(=O)NC[C@@]2(C)CCCO2)cc1 153024147 FHQDJJUKCSHSNX-GOSISDBHSA-N 360.483 2.618 0 50 FFAA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 154347738 ITCOIHGZBQTVQS-CQSZACIVSA-N 358.463 2.965 0 50 FFAA Cc1sc(=O)n(CC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1C 173704001 QISKOEAYSZSGKP-GOSISDBHSA-N 373.522 2.650 0 50 FFAA O=C([C@H]1CC=CCC1)N1CCc2cccc(S(=O)(=O)N3CCCC3)c2C1 77406576 AAFYSLNZINLVIT-KRWDZBQOSA-N 374.506 2.712 0 50 FFAA Cc1ccccc1OCCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 284413391 DDSCEXMESVZASR-VQIMIIECSA-N 357.454 2.734 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CCO1 378558187 GJGDEQTWSDWKLK-VNQPRFMTSA-N 355.442 2.886 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(c3ccnc(C(=O)NCc4ccco4)c3)C2)n1 71767627 IEXSPOPLJZFXOK-QGZVFWFLSA-N 365.437 2.869 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(F)cc2)C1 241157251 JWEFSLMCXQBUKJ-AEFFLSMTSA-N 362.445 2.764 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc3c2CCCC3)cc1 43316224 AZRLYVNGQBBRTO-UHFFFAOYSA-N 373.478 2.577 0 50 FFAA COCc1ccc(C(=O)N2CCC(CCN3CCCC3=O)CC2)s1 85479499 GZDKQZVACNVVRP-UHFFFAOYSA-N 350.484 2.759 0 50 FFAA Cc1ccc(CN(CCCO)C(=O)NCc2noc(C(C)C)n2)s1 426643037 SOCLEPSHYHPIRI-UHFFFAOYSA-N 352.460 2.657 0 50 FFAA CN(C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1)C1CCOCC1 223019536 NKBILEGSRNKHRQ-UHFFFAOYSA-N 373.474 2.912 0 50 FFAA CC[C@H](C(=O)N(C)CCc1ncon1)n1cc(C(C)=O)c2ccccc21 426551777 IARCQPZOPJZTHV-MRXNPFEDSA-N 354.410 2.879 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)c1ccc(-c2cccc(F)c2)nc1 82107919 NDOAQYFBMKYTHL-UHFFFAOYSA-N 365.412 2.508 0 50 FFAA Nc1nccc(C2CCN(C(=O)CCCOCc3ccccc3)CC2)n1 221155811 BTOZMLMGDIOBBH-UHFFFAOYSA-N 354.454 2.762 0 50 FFAA Cc1csc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)n1 95498859 BXHJNNCKQBRDQE-INIZCTEOSA-N 357.479 2.501 0 50 FFAA CC1(C)CN(S(=O)(=O)c2cc(C(N)=O)cs2)C[C@@H]1c1ccccc1 426388182 QTOADEAIWHBKAY-CQSZACIVSA-N 364.492 2.661 0 50 FFAA Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1N1CCNC1=O 91255950 FGFNAIXJDXAOIG-UHFFFAOYSA-N 364.449 2.939 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)NCCc1noc([C@H]2CCCO2)n1 97797273 GDBIRZXDOBSXSB-CQSZACIVSA-N 374.445 2.905 0 50 FFAA CCCCOc1cc(F)ccc1[C@@H](C(=O)O)N1CCCN(C(C)=O)CC1 95366686 GHAUNGCAEOPBIK-SFHVURJKSA-N 366.433 2.685 0 50 FFAA c1cc(CN2CCOCC2)cc(-c2ccc(N3CCSCC3)nn2)c1 97601019 QJEPDXKAAAZOCK-UHFFFAOYSA-N 356.495 2.529 0 50 FFAA CN(C)c1nc(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)ns1 181298860 HPANVVSIHXFFEJ-CQSZACIVSA-N 369.498 2.769 0 50 FFAA Fc1ccc(-n2cc(CN3CCCO[C@@H](CN4CCCC4)C3)cn2)cc1 97717059 LEPNJXQJQAVVMD-FQEVSTJZSA-N 358.461 2.698 0 50 FFAA C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 182038685 OLYJGBJZERHTIX-CYBMUJFWSA-N 357.435 2.645 0 50 FFAA CC1(C)CC(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)CC(C)(C)C1 244748627 OLLQUADNHFJRMC-SJLPKXTDSA-N 359.514 2.852 0 50 FFAA COc1cc2c3c(c1)C(CSc1ncccn1)=CC(C)(C)N3C(=O)C2=O 253495765 QMFFUWGUWQJYSB-UHFFFAOYSA-N 367.430 2.982 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)C(C)C)CN1Cc1cccc(C(F)(F)F)c1 39354928 VHGDCUMTLWBVHM-CABCVRRESA-N 372.387 2.594 0 50 FFAA Cc1ccc(NC(=O)CCNC(=O)CSc2nnc(C)s2)c(C)c1 827847782 OJAHOSKCZVIQKD-UHFFFAOYSA-N 364.496 2.700 0 50 FFAA Cn1cccc1-c1cc(C(=O)N(CCO)Cc2ccccc2Cl)n[nH]1 828754250 FJTZWPOCGYMVSQ-UHFFFAOYSA-N 358.829 2.703 0 50 FFAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 827647775 XNSNOZZQZIZEOX-FQEVSTJZSA-N 370.472 2.706 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)NCCc2noc(-c3ccccc3)n2)n1 584886922 DKBLNNTVSSKWGR-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA Cc1c(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cnc2ccnn12 828202344 FRPUTRAMGDQXHU-AWEZNQCLSA-N 352.394 2.848 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N[C@H](C)c1nc(C(C)C)no1 824852905 WVWKSRINRSYOIT-GFCCVEGCSA-N 369.425 2.955 0 50 FFAA O=S1(=O)CCCN1c1ccc(CNc2ncnc3ccccc23)cc1 185474503 VLITYHFJAQIPBP-UHFFFAOYSA-N 354.435 2.782 0 50 FFAA C[C@H]1CN([C@H](C)CO)CCN1Cc1cccc(Br)c1Cl 1875379553 VZRLOTMCTRYUHA-NWDGAFQWSA-N 361.711 2.989 0 50 FFAA Cc1nc2cccc(C(=O)NC3CCN(C4CCN(C)CC4)CC3)c2s1 1875310510 SOOMPBFIDCFWNO-UHFFFAOYSA-N 372.538 2.893 0 50 FFAA COCC(=O)N1CCC[C@@H]2CN(c3cc(C)nc(C4CCC4)n3)CC[C@@H]21 1875330442 XVMVVHNFULXURT-SJORKVTESA-N 358.486 2.516 0 50 FFAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)[C@]1(C2CC2)CCCO1 1875330690 YATPVXRRRCHKHH-SVFBPWRDSA-N 357.450 2.869 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)CC1 1875367050 SQOYGGTYQVBEER-UHFFFAOYSA-N 373.522 2.762 0 50 FFAA Cc1nc(C)c(F)c(N2CCN(CCOc3ccc4c(c3)CCC4)CC2)n1 1875257869 ZKTKCXJVEVRUBL-UHFFFAOYSA-N 370.472 2.922 0 50 FFAA O=C(N=c1cc([C@H]2CCCOC2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875261605 HDBOFQZIBRTBMY-HNNXBMFYSA-N 366.425 2.614 0 50 FFAA COc1cccc(SCC(=O)N2CCC[C@]3(CC2)CN(C)C(=O)O3)c1 952966035 FWNNZDHLBHBROV-SFHVURJKSA-N 364.467 2.621 0 50 FFAA CSc1ccc(CN(C(=O)Cc2c(C)nc(O)nc2O)C2CC2)cc1 952980618 RJMVADBMRMLCIQ-UHFFFAOYSA-N 359.451 2.652 0 50 FFAA Cc1ccc(CCC(=O)N2CCC(CNC(=O)[C@H]3CCCO3)CC2)c(C)c1 952973488 CTMYERSODKXDSZ-HXUWFJFHSA-N 372.509 2.770 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N[C@H]1CCCN(Cc2ccccc2)C1 188316213 PQQLANVMKLRHSZ-KRWDZBQOSA-N 352.482 2.612 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nn1 191547923 OFBSONLKBGVNPB-QGZVFWFLSA-N 370.501 2.555 0 50 FFAA Cc1c(Cl)c(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)nn1C 1506405647 BLMACFJXEAMBFT-UHFFFAOYSA-N 374.832 2.816 0 50 FFAA CN1C[C@@]2(CCCN(Cc3cc(O)c4cccc(F)c4n3)C2)CCC1=O 1506428238 YLFLKXCKSMTHLE-HXUWFJFHSA-N 357.429 2.914 0 50 FFAA O=C(c1cncc(NCCCn2ncc3ccccc32)n1)N1CCCC1 1529195279 HXLLMACZKWOKKG-UHFFFAOYSA-N 350.426 2.565 0 50 FFAA Cc1cc(=O)n(CCN2CCC[C@H](c3nc4ccccc4s3)C2)c(O)n1 1529095657 RXISLMXUIQTNID-AWEZNQCLSA-N 370.478 2.747 0 50 FFAA CNC(=O)Cn1cc(NC(=O)C(C)(C)Oc2cc(C)ccc2C(C)C)cn1 1529106175 MAYYMPRZDGNKKV-UHFFFAOYSA-N 372.469 2.857 0 50 FFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 219912589 KCDACYUXCCDPEV-OLZOCXBDSA-N 373.840 2.996 0 50 FFAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 1078122 KQFKXWHBIGRMHF-OAQYLSRUSA-N 369.417 2.921 0 50 FFAA Cc1ccc2cc(CN3C[C@H]4C[C@H](O)C[C@H]4C3)c(N3CCOCC3)nc2c1 1800414875 WYDNQOSZEOXNFV-RUYXUALKSA-N 367.493 2.583 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cncc(F)c3)CC1)OCC2 1704297514 AJROPRJTABYXRL-UHFFFAOYSA-N 356.397 2.934 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3c(-c4ccccc4)noc3C)CCN21 1616070921 KHRNFIKLQMIXFW-MSOLQXFVSA-N 369.465 2.975 0 50 FFAA O=C(c1cc(N2CCOCC2)no1)N(Cc1ccccc1)CC1CCC1 1772810490 IROWQKNFNHDECP-UHFFFAOYSA-N 355.438 2.954 0 50 FFAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1 11662865 FRMVXUPVFXRYNR-KRWDZBQOSA-N 356.470 2.821 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)c(C)o1 12301179 MMFORWZXNGLXCJ-NRFANRHFSA-N 367.449 2.946 0 50 FFAA Cc1nc(CC(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cs1 12439916 LOCSLVZWCRHJDZ-CYBMUJFWSA-N 363.870 2.565 0 50 FFAA COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)c1OC 15063778 VBRFNPLXWFUVMX-QGZVFWFLSA-N 369.465 2.741 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)c2)n[nH]1 154386996 CYILZBNZYLNYHL-CQSZACIVSA-N 353.426 2.510 0 50 FFAA O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 4731966 KNYRRTOANHYWAZ-INIZCTEOSA-N 367.424 2.527 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCC[C@@H]1c1cccnc1 1857739146 KNNSACQUNHKEFC-OAHLLOKOSA-N 358.467 2.660 0 50 FFAA O=C(c1ccc2ncsc2c1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 216534616 JDLKNIBRHKICEQ-HIFRSBDPSA-N 365.462 2.827 0 50 FFAA Cn1c(C(=O)N(CC(=O)O)C2CCOCC2)c(Cl)c2ccccc21 237708897 FXFPRWZJIHUZGB-UHFFFAOYSA-N 350.802 2.538 0 50 FFAA O=S(=O)(NC[C@H]1CCCNC1)c1c(Cl)cccc1C(F)(F)F 237797366 PGMUFNYBNCBYBD-VIFPVBQESA-N 356.797 2.637 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1ccc(F)cc1F 247955089 VAGOQOPUAFOEGB-DYVFJYSZSA-N 362.420 2.757 0 50 FFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)CN(C)C)O2 20600965 RWDWPICNQOUDBA-KRWDZBQOSA-N 352.434 2.538 0 50 FFAA CC(C)[C@H]1OCC[C@@H]1CN[C@H](C(N)=O)c1cccc(Br)c1 162230911 PENYEAZVXKGVTQ-VHDGCEQUSA-N 355.276 2.626 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3ccc(Cl)nc3)CC2)oc1C 264688405 GKTFRVIAXWEIOY-UHFFFAOYSA-N 362.861 2.982 0 50 FFAA Cc1nc(CCC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cs1 811564174 SRFTVLWISMGVOA-LJQANCHMSA-N 362.470 2.977 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccccc1F 1424486 JDRMENRFNQSXNY-UHFFFAOYSA-N 363.341 2.647 0 50 FFAA CCCCc1ccc([C@@H](NC(=O)[C@H](O)C2(O)CCOCC2)C(C)C)cc1 2325779081 FSDLLUDFTWEUPB-OALUTQOASA-N 363.498 2.745 0 50 FFAA CC(C)(C)[C@@H](CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)C(F)F 2325798889 HXLGNLYJWXLHLO-JTQLQIEISA-N 374.409 2.668 0 50 FFAA CN1CC[C@@]2(CO)CN(C(=O)C(C)(C)CCCc3ccccc3)C[C@H]2C1 2325803721 XVEZOZQNOZLMIQ-KNQAVFIVSA-N 358.526 2.808 0 50 FFAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(O)nc2cc(OC)ccc12 2325864524 RCQYROFARMYJAM-UHFFFAOYSA-N 355.350 2.624 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](NCc3ccc4c(c3)OCO4)C2=O)cc1Cl 855200 BGPNXUWRKYVFOK-HNNXBMFYSA-N 372.808 2.799 0 50 FFAA CN1C(=O)N(CC(=O)c2ccccc2)C(=O)[C@](C)(C2=CCCCC2)C1=O 1000519 FDTZAVFBSHFAFF-HXUWFJFHSA-N 354.406 2.797 0 50 FFAA CCc1c(O)nc(SCC(=O)N(CC)CC)n(C2CCCCC2)c1=O 1230398 BUXQYFROFHLDOZ-UHFFFAOYSA-N 367.515 2.977 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NC[C@@H](CCC(=O)O)C(F)(F)F)c(C)c1 1802376 NXVBIDWCYZNJET-GFCCVEGCSA-N 367.389 2.933 0 50 FFAA COc1cccc([C@@H]2CCCCN2C(=O)c2c[nH]c3cc(C)nn3c2=O)c1 102074055 MHDFIRGLTZYECN-KRWDZBQOSA-N 366.421 2.707 0 50 FFAA CN(CCCn1cccn1)C(=O)c1ccc(CSc2ncccn2)o1 55090731 MAQPWFDICURSRB-UHFFFAOYSA-N 357.439 2.721 0 50 FFAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)c1cc[nH]n1 55404468 QHKFZEGWDKRCNS-GOSISDBHSA-N 373.420 2.555 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1ccc2c(C)cccc21 170625444 ZSGSFVDVRJVVPI-SFHVURJKSA-N 350.418 2.850 0 50 FFAA CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(F)cc1 248304310 LYXJPHMHUVQAJK-ROUUACIJSA-N 362.445 2.907 0 50 FFAA Cc1c([C@@H]2c3nc[nH]c3CCN2Cc2cccn2-c2cccnc2)cnn1C 67588072 CFMCJHCJPCFTIB-OAQYLSRUSA-N 373.464 2.785 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 4124140 GFNDHAGOPMTEQE-CYBMUJFWSA-N 354.687 2.769 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(C/C=C/c3ccccc3)C2)CC1 23372817 VREVTKKPVCJFRY-CLOLKSBNSA-N 357.498 2.938 0 50 FFAA Cc1cc(C)n(C[C@@H](C)Nc2nc(-c3cccnc3)nc3c2cnn3C)n1 72166993 GYWJWGZDPSIQFM-CYBMUJFWSA-N 362.441 2.739 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3ccc(C(C)=O)cc3)C2)CCC1=O 77525683 MZWUCBNNSWFMGT-OAQYLSRUSA-N 358.482 2.740 0 50 FFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)noc1C 252444195 OTAYCLPIJIJXDE-NVXWUHKLSA-N 361.467 2.596 0 50 FFAA COCCc1ncc(CN2CCCC23CCN(c2ccccn2)CC3)cn1 72473184 NYJPFQXUHXGFJD-UHFFFAOYSA-N 367.497 2.696 0 50 FFAA O=C([C@H]1CCCNCC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67725138 SNIRTFKNNHSHDQ-HNNXBMFYSA-N 367.449 2.565 0 50 FFAA C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2ncc3n2CCCC3)C1 281914895 CKPNZWBPPCGBPJ-KBPBESRZSA-N 359.499 2.883 0 50 FFAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(N)=O)C1 4173447 MOAACRFRNIIRHU-MXWKQRLJSA-N 362.451 2.577 0 50 FFAA O=C(N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 189031931 MUFSPHWLRHMHLI-CZUORRHYSA-N 360.360 2.569 0 50 FFAA CC(C)CN1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)[C@@H](C)C1=O 72433869 SOWGIQTVGHOUFZ-INIZCTEOSA-N 360.498 2.719 0 50 FFAA CC(C)(C)c1cnc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)o1 328636080 NVXGJAYWGHZRFQ-LBPRGKRZSA-N 359.430 2.584 0 50 FFAA CC[C@H](C(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1)c1ccccc1 71775739 WACRKFTXILPLFO-INIZCTEOSA-N 374.444 2.910 0 50 FFAA COc1cccc([C@@H](O)C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1 367053415 PZRVSZLXRJANBD-LJQANCHMSA-N 355.438 2.535 0 50 FFAA CCc1nc(-c2ccc(C(=O)N3CCCC4(CCN(C)CC4)C3)cc2)n[nH]1 374100744 GFUPYXKWTOZAMN-UHFFFAOYSA-N 367.497 2.982 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1c[nH]nc1-c1nccs1)CO2 446607642 YWGYCDKZBSCYMW-LLVKDONJSA-N 356.407 2.732 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cn3ccsc3n2)CCC(=O)N1CC1CC1 71763580 AHODMVOKBLMMTQ-HNNXBMFYSA-N 360.483 2.505 0 50 FFAA COc1cccc(OC[C@@H](O)CNC(=O)c2ccc3nc(C)sc3c2)c1 215343278 LRGLATPETJGQCS-AWEZNQCLSA-N 372.446 2.783 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C2)c1OC 219148490 HZYLTTANXBEMMO-OAHLLOKOSA-N 369.417 2.991 0 50 FFAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)C1=Cc2cc(Cl)ccc2OC1 77489822 HHGMYICIOVXLGZ-MRXNPFEDSA-N 363.841 2.960 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1coc(-c2ccccc2)n1 238031987 BUOHDJLWJZATGM-GOSISDBHSA-N 362.385 2.922 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccccc1F 48513703 AQOMKRWZOGCYFD-UHFFFAOYSA-N 358.369 2.559 0 50 FFAA O=C(NCC[C@@H]1CCCNC1)c1csc(-c2ccc3c(c2)OCO3)n1 238149749 KFXCYYPIVWTZSC-LBPRGKRZSA-N 359.451 2.658 0 50 FFAA COc1c(C)ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccn2)c1C 175120172 WVOAYCBDXRAUSX-KRWDZBQOSA-N 353.422 2.950 0 50 FFAA O=C(NCCN1CCCc2ccccc21)N1CCC[C@H]1Cn1cccn1 426510313 OXFBPACOESVJSQ-SFHVURJKSA-N 353.470 2.510 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)C1CCN(C(=O)C2CCCC2)CC1 221184737 IGCHJLBSVFYUFI-HNNXBMFYSA-N 360.502 2.975 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2c(C)noc2C)n1 426599809 WADQNLMSDFBMDU-UHFFFAOYSA-N 371.363 2.793 0 50 FFAA Cn1cc(-c2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2)cn1 426701478 SRTNAIMRWZZRBP-UHFFFAOYSA-N 350.422 2.507 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCC(c3ccncn3)CC2)c1C 220019828 WZKPZQOSFQPOBG-ZDUSSCGKSA-N 369.469 2.850 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCn1cc(Cl)cn1 222231956 OAZRJVHQHTWISP-UHFFFAOYSA-N 357.845 2.698 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCC[C@@H](OCc2ccccn2)C1 82107010 WLDUGEPGPLWPDK-CQSZACIVSA-N 360.435 2.736 0 50 FFAA O=C(COCc1ccccc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91713310 AADOFQXDDDQWSY-UHFFFAOYSA-N 370.493 2.844 0 50 FFAA CC[C@H](C(=O)NC1CCCC1)n1ccc2ccc(C(=O)OC)cc2c1=O 95390688 QCVJUAGZWSSYHU-QGZVFWFLSA-N 356.422 2.798 0 50 FFAA CCN1CC[C@H](CNC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)C1 426408873 BAEXOQQNZFGAFP-MRXNPFEDSA-N 361.486 2.590 0 50 FFAA Cc1ccc2cc(CO)c(N3CCC([C@H](C)N4CCOCC4)CC3)nc2c1 95353892 QNPYPFWBIYPKLJ-KRWDZBQOSA-N 369.509 2.973 0 50 FFAA CCc1noc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91964651 YWBDWKMWWWASOF-FQEVSTJZSA-N 371.437 2.775 0 50 FFAA O=C(NC[C@H](O)c1ccccc1Cl)C1(c2ccccc2)CCNCC1 238004047 JSPCDKIBQBTTCD-SFHVURJKSA-N 358.869 2.811 0 50 FFAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc2c(O)cccn2c1=O 97776067 PJTBZRWJFTVTSW-MRXNPFEDSA-N 366.421 2.799 0 50 FFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 23541259 FVTIZLLNGDBIAV-LBPRGKRZSA-N 369.421 2.758 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1)c1ccco1 95525175 QSRTVJDSAFLZJR-AWEZNQCLSA-N 367.405 2.632 0 50 FFAA O=C(CCc1ncnn1C1CCCCC1)NC[C@@H]1COc2ccccc2O1 91288894 OTCORZATQMATDJ-MRXNPFEDSA-N 370.453 2.672 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)on1 95392063 QHRRCDWKPSUECB-CYBMUJFWSA-N 357.439 2.704 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1)C2 91518625 BBWJJONRAOWSQR-DOTOQJQBSA-N 368.437 2.946 0 50 FFAA C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239174365 PXIGYTHFAQBCSW-HXYUGIAJSA-N 370.836 2.720 0 50 FFAA O=C1COc2cc(NC(=O)NCCc3nc4c(s3)CCCC4)ccc2N1 97785074 OFWGERKNBQBZMB-UHFFFAOYSA-N 372.450 2.717 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCCc1ccc(OC)cc1)C2 91965362 GMRGEUIJITYHCI-ZWKOTPCHSA-N 358.482 2.877 0 50 FFAA CC(C)(C)NC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95383534 XLUFLLOQUNSFAN-ATZDWAIDSA-N 371.481 2.785 0 50 FFAA O=C(c1ccccn1)N1CCC(NC[C@@H]2COc3ccccc3C2)CC1 95520005 OPTMJMAMOSAUHO-MRXNPFEDSA-N 351.450 2.527 0 50 FFAA COc1ccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2OC)cc1 181878830 NUBGXXFZMRVGFW-QGZVFWFLSA-N 366.421 2.963 0 50 FFAA Cn1ncc2c(O)nc(CN3CCc4[nH]c5ccc(Cl)cc5c4C3)nc21 253536862 QFLUCSRUCRLKID-UHFFFAOYSA-N 368.828 2.762 0 50 FFAA CC(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 298675036 DUGPZJCEKNMPPP-KBPBESRZSA-N 368.437 2.906 0 50 FFAA COc1ccc(C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1-c1ccccc1 299753080 WSXAADKVFXLYMJ-INIZCTEOSA-N 355.390 2.678 0 50 FFAA COc1ccc([C@H]2Cn3nnc(C(=O)NCC4CCCCC4)c3CO2)cc1 263618690 UZSQGGIIVMZIDW-GOSISDBHSA-N 370.453 2.868 0 50 FFAA CCn1cc(-c2ccc(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2)cn1 534644172 HOZRWFOGKBXCTG-PMACEKPBSA-N 368.481 2.553 0 50 FFAA C[C@@H]1Cc2cc(C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2O1 299758928 FNUNVWHVYCCOMZ-MRXNPFEDSA-N 358.482 2.775 0 50 FFAA Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)CCc1n[nH]c2c1CCCC2 1506404449 HTOBNTBMPZWZDN-ZDUSSCGKSA-N 372.444 2.812 0 50 FFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)CN1Cc1cccc(F)c1 55074345 IEVJFHVFBYLNGT-ROUUACIJSA-N 374.387 2.511 0 50 FFAA CC(=O)Nc1ccc(C)c(NC(=O)NC2(CN3CCOCC3)CCCC2)c1 299755815 FFZNXKRZUDFWGZ-UHFFFAOYSA-N 374.485 2.720 0 50 FFAA COc1ccc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cc1OCCCN 299758909 FHHJQTKNGOLTJB-UHFFFAOYSA-N 368.437 2.538 0 50 FFAA CN1CCc2[nH]nc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)c2C1 299789107 VYRJNFVQKNKGPM-ZDUSSCGKSA-N 365.437 2.559 0 50 FFAA CC(=O)N1CCC2(CC1)CN(C(=O)c1cc3ccccc3s1)CCO2 820569385 JTDMFXNPRFLLTJ-UHFFFAOYSA-N 358.463 2.755 0 50 FFAA Cc1cc(-c2cccc(C(=O)N(C)Cc3nncn3C(C)C)c2)c(O)nn1 584894127 IMFPCIZNWXWJQK-UHFFFAOYSA-N 366.425 2.602 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2SCCc3sccc32)c1 268901588 FXBBGOVTJDZLEV-MRXNPFEDSA-N 363.460 2.858 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC[C@@H]3c3nncn3CC(C)C)cnc12 1875271954 IYYAYRPSHHPODH-QGZVFWFLSA-N 366.469 2.796 0 50 FFAA CN(CC1CC1)c1cc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)ccn1 1875272535 XMQQLDGNJRZZCM-UHFFFAOYSA-N 372.375 2.805 0 50 FFAA CCCc1nccn1[C@H]1CCCN(C(=O)c2cc(O)nc(C3CC3)n2)C1 1875300879 UUMSQWSWZKAXLW-AWEZNQCLSA-N 355.442 2.686 0 50 FFAA COC(=O)/C=C/CCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 1875311544 DUMWXQFXRBKOFS-QHHAFSJGSA-N 359.422 2.505 0 50 FFAA COc1ccc2cc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)ccc2c1 1875403074 PKVZSCDBGVPWHQ-VHKYSDTDSA-N 365.433 2.614 0 50 FFAA CC(C)CNC(=O)c1cccc(NC(=O)CCC(=O)NC2CCCC2)c1 952987252 MRRNBOCGJGBAPX-UHFFFAOYSA-N 359.470 2.850 0 50 FFAA COc1cc(NC(=O)c2ccc([C@@H]3CCCO3)s2)cc(-n2cnnn2)c1 952968988 QZQDNSWSASPIAW-AWEZNQCLSA-N 371.422 2.836 0 50 FFAA C[C@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)C1CCC(F)(F)CC1 886074618 HRLCXODTWPTWQV-JQFCIGGWSA-N 356.461 2.595 0 50 FFAA O=C(Cc1ccccc1F)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565512536 IXGJWTSTAJLODN-MJGOQNOKSA-N 353.441 2.886 0 50 FFAA Cc1cc(=N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)c2ccccc2[nH]1 1565514092 NWVBPZJUDZZVCS-FPOVZHCZSA-N 361.445 2.653 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cccc2c1NCCC2 1565506397 LIOVKDAICDFDJR-IRXDYDNUSA-N 373.478 2.605 0 50 FFAA Cc1ccc(-c2nc(CC(=O)N3CCOC[C@@H]3c3nnc(C)o3)cs2)o1 275258063 CVAYVCZGZFFEHB-CYBMUJFWSA-N 374.422 2.546 0 50 FFAA COc1ccc(NC(=O)N[C@@H]2CCCn3nc(C)nc32)c(C(F)(F)F)n1 170600023 PTDVHOAZXCBIQX-SNVBAGLBSA-N 370.335 2.666 0 50 FFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCO[C@]2(CCOC2)C1 189942335 OHROTMZARSGPOR-QGZVFWFLSA-N 362.817 2.549 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)Nc3ncn(C4CCCCC4)n3)CCO2)cn1 190269535 FOMROCWKTJOSLF-INIZCTEOSA-N 373.461 2.605 0 50 FFAA C[C@H]1CCN(C(=O)NCCCc2ccc(Br)cc2F)[C@@H]1CO 190563109 WLKVATDDZAXVAT-XHDPSFHLSA-N 373.266 2.933 0 50 FFAA C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2ccnn2C)CC1 195502907 LERDIMGHEDOKMF-HNNXBMFYSA-N 358.461 2.786 0 50 FFAA CC[C@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1cn2cccnc2n1 1506408105 UZKIQWNFQHLDKD-AWEZNQCLSA-N 352.442 2.531 0 50 FFAA CCOCCC(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 1704344686 VREWRGWWMGOYPI-UHFFFAOYSA-N 363.454 2.521 0 50 FFAA CCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1OCC 1704354190 VVWJAQZJKTVEIY-MSOLQXFVSA-N 370.449 2.555 0 50 FFAA Cc1c(Cl)cccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 816831 ONNMBSWODCKFJO-UHFFFAOYSA-N 358.891 2.863 0 50 FFAA CCOc1ccccc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 1197963 SRBHYFYMLVDXPU-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(C)[nH]n2)C1 11663916 SUXQCYIVOVYBTI-HXUWFJFHSA-N 373.428 2.885 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)C2CCCCC2)c1=O 15009272 CFMISIOGWDWILA-UHFFFAOYSA-N 361.486 2.659 0 50 FFAA O=C(c1cc[nH]n1)N1CC[C@@H](C2CCN(CCc3ccccc3)CC2)C1 19758486 WWLVUEHVDNQDGR-LJQANCHMSA-N 352.482 2.827 0 50 FFAA COc1ccccc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 5007522 BEVFTGQVINVJRD-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1 6702725 MFAVPQKMOIUOCD-UHFFFAOYSA-N 371.868 2.909 0 50 FFAA CNC(=O)Cc1nc([C@@]2(c3cccs3)CC2(C)C)n(CC(F)(F)F)n1 1857676841 UEBRBJURPQSJPA-HNNXBMFYSA-N 372.416 2.906 0 50 FFAA COc1ncccc1CN1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857703627 PPUNUNNAHHBASM-OAQYLSRUSA-N 366.465 2.943 0 50 FFAA Cc1ccc(-c2nc(CN3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)no2)cc1 1857707571 DFGNWRRNPSQKDV-XKGFGPFHSA-N 368.481 2.586 0 50 FFAA Cc1cc(=O)n(CCN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)c(O)n1 1875242898 HMAYQUNSMGPEOH-ZWKOTPCHSA-N 371.481 2.746 0 50 FFAA Cc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1S(C)(=O)=O 122314968 XOIVNKMEAGICJY-UHFFFAOYSA-N 373.409 2.976 0 50 FFAA COc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)O)cc1Br 237186181 MCZSBZCXCLRPDB-CYBMUJFWSA-N 370.243 2.856 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC[C@H]([C@H](C)N)C1 247126177 NBWWRZWJCOEFLI-AVGNSLFASA-N 355.276 2.802 0 50 FFAA C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc2c(cc1F)NC(=O)CC2 135503942 XODVCOYVYDLBTF-ZDUSSCGKSA-N 367.424 2.891 0 50 FFAA CCOCc1nc([C@H](C)NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)no1 823024169 YDRQHPAXAMOWKE-ZANVPECISA-N 373.331 2.536 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N=c1[nH][nH]cc1-c1ccccc1)CC(=O)N2 2100480245 BFTGOEURJWZPLZ-HNNXBMFYSA-N 362.389 2.572 0 50 FFAA CN1CC[C@@H](CN(C)C(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)C1 2325720879 SYYJOBTWSOKTTD-MRXNPFEDSA-N 363.465 2.891 0 50 FFAA CNC(=O)c1ccc(CCNC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1 2325761333 YWBZSDDAFKMOBK-SFHVURJKSA-N 354.475 2.730 0 50 FFAA O=C(C[C@@H]1OCCc2ccsc21)N[C@H](Cc1cccc(F)c1)C(=O)O 2325762981 HURZJFRUHDWFIJ-CABCVRRESA-N 363.410 2.703 0 50 FFAA CO[C@]1(CN)C[C@H](C(=O)N(C)C2CCN(c3ccc(Cl)cc3)CC2)C1 2325778825 RNHFIDIJABCODV-DHFPXDALSA-N 365.905 2.521 0 50 FFAA C[C@@]1(C(F)(F)F)CCN(C(=O)CCc2n[nH]c3c2CCCC3)CCO1 2325782789 GIDHCDDBOHGPNU-INIZCTEOSA-N 359.392 2.791 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1c[nH]cc1-c1ccc(F)cc1 2325785839 PVUGVJFLQGIXBQ-MJXNMMHHSA-N 368.412 2.587 0 50 FFAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1cccc(C(N)=O)c1)C2 2325790881 SCWCEPZQHKBVGA-MUJYYYPQSA-N 374.437 2.873 0 50 FFAA CC(C)[C@H]1CC[C@H](C(=O)N(C)CCN(C)C(=O)C[C@@](C)(O)C2CC2)CC1 2325793136 GUUFYHKKILWSKR-CBGDNZLLSA-N 366.546 2.917 0 50 FFAA COc1cccc(CNC(=O)CN2C[C@H]3C[C@]3(c3ccc(C)cc3)C2)c1 2325868431 ZFJMWESNQLDTPA-DENIHFKCSA-N 350.462 2.893 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1Cl 623041 LXSLRZDZDQKJGL-CQSZACIVSA-N 352.843 2.955 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 644584 URBXEHJADGNCDY-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA Cc1cccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1 895843 PEGQBEVAWHAZFU-LJQANCHMSA-N 374.506 2.647 0 50 FFAA CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)c4ccccc4)c(=O)c23)CO1 1123107 SKCQWGXAKUTISV-IBGZPJMESA-N 369.446 2.977 0 50 FFAA CCOc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3c2nnc(C)s2)cc1 2356147620 FQBVJAIBMGYGNA-IRXDYDNUSA-N 372.494 2.668 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@]2(CCc3c[nH]c(=N)nc32)C1 2356158378 ZPYVFUZLDRQNSO-IBGZPJMESA-N 372.856 2.671 0 50 FFAA O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 6322266 HDLCQZIXNRJFFK-HNNXBMFYSA-N 356.875 2.506 0 50 FFAA COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(N)=O)c(F)c3)C2)cc1 111754374 SIHMISYJAHDIJO-ZDUSSCGKSA-N 357.385 2.955 0 50 FFAA COc1cc(OC)c(OC)cc1CN(C(=O)C1CCOCC1)C(C)C 55252351 KKLRWINIGHEEGZ-UHFFFAOYSA-N 351.443 2.876 0 50 FFAA O=C([C@H]1CCOC1)N1CCc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2C1 23478738 BUWKOPHZXGDBRL-IIFATDLDSA-N 355.482 2.799 0 50 FFAA CN(C)C1(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 416293554 VINUQPRFMBQFKS-UHFFFAOYSA-N 363.259 2.663 0 50 FFAA CCn1cc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c2ccccc21 172378270 YFPBNBBTPXHYHD-MRXNPFEDSA-N 355.482 2.892 0 50 FFAA CCCCc1ccc(-n2cc(CNCc3nc(C)cc(=O)[nH]3)cn2)cc1 63856655 XMWBYQJGWLSZPX-UHFFFAOYSA-N 351.454 2.896 0 50 FFAA CCCN(Cc1ccccc1C)C(=O)c1cc(CN2CCC(O)CC2)on1 67641317 HGRVUEIYHDLEKH-UHFFFAOYSA-N 371.481 2.992 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)CCc1nc(-c3cccc(C)c3)no1)C2 67741532 HAWGFTUMCZYEHU-UHFFFAOYSA-N 363.421 2.872 0 50 FFAA CC(C)N1CC[C@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 252458619 XJVBXELKZPOMDE-IAGOWNOFSA-N 362.493 2.682 0 50 FFAA Cc1cnc(C(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)c(O)c1 332261354 DYOVAEBBDAOBNL-UHFFFAOYSA-N 359.451 2.500 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 252513184 XXJDIIPFFBQJCX-LFYPYMNQSA-N 357.406 2.706 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)CC1 328651101 VVMNHOQEKLJNFT-QGZVFWFLSA-N 368.474 2.635 0 50 FFAA C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@]2(CCO[C@@H]2C)O1 253430142 ICGPCSLCZPDJDQ-HSMVNMDESA-N 354.244 2.858 0 50 FFAA Fc1ccccc1-c1cc(NCCSc2cnn[nH]2)n2nccc2n1 72476329 KGEYUCVLJQETNF-UHFFFAOYSA-N 355.402 2.858 0 50 FFAA C[C@@H]1C(=O)NCCN1Cc1cccc(OCCCCN2CCCCC2)c1 215459259 RMBOIABVOYQXMG-GOSISDBHSA-N 359.514 2.652 0 50 FFAA O=C(CSCC1CC1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 72157678 IVPLZCAOYRNMLV-INIZCTEOSA-N 366.914 2.743 0 50 FFAA N[C@@H]1CN(C(=O)c2cnc(-c3ccncc3)s2)C[C@H]1c1ccccc1 369112902 NTUQRCQSLHOONH-JKSUJKDBSA-N 350.447 2.772 0 50 FFAA Cn1cc(CCC(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 77298111 ZNRTZNAPOJJPLF-UHFFFAOYSA-N 354.498 2.520 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn2cc(Cl)cnc2n1 72448396 ATROAEDDBJFLBR-UHFFFAOYSA-N 366.812 2.841 0 50 FFAA Cc1cc(O)ncc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 372684055 GOMMEQXWUDJCOZ-BFUOFWGJSA-N 356.426 2.796 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1 14978245 ORIFSDHHFWOJJU-QFIPXVFZSA-N 355.526 2.904 0 50 FFAA CC(C)n1cc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 77525497 QSEGPJXQUIQSNO-FQEVSTJZSA-N 352.482 2.779 0 50 FFAA CCCC(=O)N1CCC[C@H]1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 174970014 ZDMWLCJSQZMVSQ-UXHICEINSA-N 371.525 2.758 0 50 FFAA CN(C[C@@H]1CC(=O)N(C)C1)C(=O)Cc1ccccc1OCc1ccccc1 221301744 KZIFOQDIRHUGPC-GOSISDBHSA-N 366.461 2.745 0 50 FFAA C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NC1CCN(Cc2ccncc2)CC1 176055206 IJKKPTWYHMLZIN-JTSKRJEESA-N 367.493 2.717 0 50 FFAA CC(C)n1c(S)nnc1CNC(=O)CCc1ccc(O)c(Cl)c1 160309318 QSZFEZDEWJEJJJ-UHFFFAOYSA-N 354.863 2.756 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCN(Cc2ccccc2)C1 193811938 ADFHBIRZQSTQPU-SFHVURJKSA-N 352.434 2.596 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)NC1CCCC1 20435974 LGDYNWYSYAJXHZ-UHFFFAOYSA-N 353.869 2.656 0 50 FFAA COc1ccc(N2CCN(Cc3ccc(OC)c(C)c3OC)CC2=O)cc1 82147486 TWBQEDBYENEVNS-UHFFFAOYSA-N 370.449 2.870 0 50 FFAA CCn1nnc(-c2cccc(NC(=O)NCCCc3c(C)noc3C)c2)n1 426640537 RQJSHILJHOIRKF-UHFFFAOYSA-N 369.429 2.719 0 50 FFAA COc1ccc(NC(=O)NCCc2nc(C(C)C)cs2)cc1C(N)=O 426392798 LJWJWRIBHQQAFD-UHFFFAOYSA-N 362.455 2.738 0 50 FFAA Cc1nccn1C[C@H](C)CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1 178803933 IULFNZKAEYDGBM-IIBYNOLFSA-N 368.481 2.711 0 50 FFAA O=S(=O)(c1cccs1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 82145719 SNPUURUXAUUYJC-LBPRGKRZSA-N 362.436 2.719 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NC2CCCCCCC2)CN1Cc1ccncc1 19954265 CTOPCQUHRFYVMQ-UXHICEINSA-N 358.530 2.863 0 50 FFAA Cc1ncc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(-c2ccccc2)n1 426567173 YMXSSTCVOXGBSA-UHFFFAOYSA-N 362.315 2.519 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N(C)[C@H](C)c3ccon3)CC2)c1 95354067 LOOHRXKFFCURJP-QGZVFWFLSA-N 356.470 2.715 0 50 FFAA CCN(CC)C(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91894620 HGXVLTNXSXDGNR-UHFFFAOYSA-N 372.513 2.791 0 50 FFAA COCCCN(Cc1ccccc1OC)C(=O)Nc1cccn2cnnc12 96151812 NKTALHVXOFLDBS-UHFFFAOYSA-N 369.425 2.809 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N(CCc1ccccc1)Cc1ccccn1 91858208 FVUZQEKUAQTHBQ-UHFFFAOYSA-N 374.444 2.927 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1cccc(-c2cncc(OC)c2)c1 426550667 RMCNPHIUEDTQPS-CYBMUJFWSA-N 351.410 2.860 0 50 FFAA Cc1nn(CCCNC(=O)c2cnc(-c3cccnc3)nc2)c(C)c1Cl 95355657 NNUQAHCUSINGOP-UHFFFAOYSA-N 370.844 2.825 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(c1ncc(Cl)cc1F)C2 91966369 LTTXVQBXURDFCS-SFHVURJKSA-N 367.852 2.872 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 179965844 LBLIQCMEZHABOP-ZIAGYGMSSA-N 352.312 2.754 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cc(C(C)=O)cn3C)C[C@H]2C(=O)O)c1 91351170 HLZPZSHVYXYACW-RBUKOAKNSA-N 356.422 2.537 0 50 FFAA CCN(CC)CCC[C@H](C)NC(=O)N1CCN(c2ccncc2C)CC1 426613036 ZKDAMCLUAZWAMJ-SFHVURJKSA-N 361.534 2.732 0 50 FFAA CCCc1cc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)on1 426547746 ZVTCWBFDHQAQIZ-UHFFFAOYSA-N 369.425 2.800 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1 95530468 MHALADKLCXQHSA-KRWDZBQOSA-N 369.490 2.681 0 50 FFAA O=C(NCc1ccccc1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 96132411 SFLNUVJADRAEGV-UHFFFAOYSA-N 354.406 2.894 0 50 FFAA Cc1ccc2oc(CN3CCC4(CC3)[C@H](C(=O)O)CC(=O)N4C)c(C)c2c1 95374064 AQOLPJMTLCPUEF-INIZCTEOSA-N 370.449 2.947 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(C(=O)O)CC1 237767810 SMASOCSXODSMIV-UHFFFAOYSA-N 365.792 2.910 0 50 FFAA O=C(O)COc1ccc(-c2ccccn2)cc1CN1CCC[C@@H](O)CC1 97756313 BWIDFXWCBOMSJF-QGZVFWFLSA-N 356.422 2.559 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc(C)n1 95519521 FYMKBGXAZJQJRB-GOSISDBHSA-N 351.450 2.598 0 50 FFAA O=C1C[C@H](C(=O)NCc2csc(N3CCCC3)n2)c2cc(F)ccc2N1 92046698 ORSOVTCXQXFVGQ-AWEZNQCLSA-N 374.441 2.625 0 50 FFAA CCCCn1nc(C)cc1NC(=O)N1CCC(Oc2ncccn2)CC1 95504148 BMDWNPRNPDXKKA-UHFFFAOYSA-N 358.446 2.857 0 50 FFAA Cc1n[nH]c(Cc2ccc(NC(=O)NCC3(Cn4cccn4)CC3)cc2)n1 96150718 NCMRRYWIMTVCQU-UHFFFAOYSA-N 365.441 2.502 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1nc3c(C)cccn3c1F)CC2 91846282 SAXLDXPPHJVADQ-UHFFFAOYSA-N 372.444 2.647 0 50 FFAA CCc1ccccc1OC1CN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)C1 244626779 FSSAAZIMEXZFFZ-IYBDPMFKSA-N 367.497 2.643 0 50 FFAA CCc1nnc(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C)CC2)s1 244899591 ZMKKYYVMNBMEAW-OAHLLOKOSA-N 373.526 2.948 0 50 FFAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299327517 AYEUTBUGBGOVDZ-LZFDNUDYSA-N 351.834 2.639 0 50 FFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1OCCc2ccccc21 299743743 LZMGZBQTOBXXPZ-OALUTQOASA-N 364.401 2.594 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCC[C@H]3C(N)=O)c2)cc1C(C)=O 534647262 LHJSULVAXVCDCI-SFHVURJKSA-N 366.417 2.655 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)N1C[C@@H](CO)[C@H](CO)C1 299785081 QCMVPICOEVDJSU-GJZGRUSLSA-N 372.421 2.552 0 50 FFAA CCc1noc(-c2cccc(NC(=O)NCCc3noc(C4CC4)n3)c2)n1 299771330 WGYYBCTUAKHSRP-UHFFFAOYSA-N 368.397 2.924 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12 299799149 PSRKOXMCCKVAKI-LJQANCHMSA-N 366.461 2.721 0 50 FFAA CCc1nc(CCNC(=O)N2CCC[C@H](COc3ccccc3C)C2)no1 584901448 BNBBATNWFQLQDD-INIZCTEOSA-N 372.469 2.984 0 50 FFAA Cn1nc2c(c1C(=O)N[C@@H]1CCCN(Cc3cccs3)C1)CCCC2 828209860 BVZZTDDXYZMRDO-CQSZACIVSA-N 358.511 2.755 0 50 FFAA O=S1(=O)CCC(CN(CCCO)[C@@H]2CCCc3ccccc32)CC1 270522704 UCWFOPSZLUNPBS-LJQANCHMSA-N 351.512 2.573 0 50 FFAA CCc1nc(CN2CCC[C@H](Nc3ncnc(-c4ccccc4)n3)C2)no1 1875270204 OJOWVXRAIRFECU-HNNXBMFYSA-N 365.441 2.561 0 50 FFAA Cn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3cc4occc4s3)CC1)O2 1875289171 WCEHVUJKASXASY-LLVKDONJSA-N 373.434 2.719 0 50 FFAA O=C(O)[C@@H]1CC12CC(C(=O)N1CCC[C@@H](c3nc4ccccc4[nH]3)C1)C2 1875278090 YIRPFLUVOYPAFB-UNAQBBMFSA-N 353.422 2.770 0 50 FFAA C[C@@H]1O[C@H](C)Cc2nc(NC(=O)N[C@@H]3C[C@@H]4C[C@H](CO)C[C@@H]43)sc21 1875277620 UYFHULSIZPKJPO-VVVXUTRGSA-N 351.472 2.694 0 50 FFAA COc1cc2c(cc1C)CN(C(=O)c1c3c(nn1C)[C@H](C)O[C@H](C)C3)CC2 1875314843 VYCBNNNFHAFCDC-KGLIPLIRSA-N 369.465 2.958 0 50 FFAA CNC(=O)[C@@H]1CC[C@](C)(C(=O)N2CC(Oc3ccc(F)cc3)C2)C1(C)C 1076014031 OVUQCZTZCUADLZ-OXJNMPFZSA-N 362.445 2.604 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)Nc1cc(-n2cnnc2)ccc1OC 952975112 DFRFTZLFXREENC-UHFFFAOYSA-N 354.414 2.868 0 50 FFAA CCNC(=O)c1cc(NC(=O)c2csc(CN(C)C)n2)ccc1Cl 952980587 XSKQMMNJIWOQKA-UHFFFAOYSA-N 366.874 2.860 0 50 FFAA CC(C)(COCC(F)F)C(=O)NCCOc1ccc(C(F)(F)F)cn1 170605130 WPSQGHMPVOQOCG-UHFFFAOYSA-N 370.318 2.903 0 50 FFAA COc1ccccc1N1CC[C@H](Nc2nc(O)c3ccccc3n2)C1=O 301585238 AVROAJNWGCUZJM-AWEZNQCLSA-N 350.378 2.561 0 50 FFAA O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1COc2ccccc2C1 194356342 ZRYLKLFULZZDSH-CQSZACIVSA-N 374.824 2.914 0 50 FFAA Cc1ccc2c(c1)c(CNC1CCN(C(=O)c3cccnc3)CC1)nn2C 1506420205 YFBRCAQMMCNASK-UHFFFAOYSA-N 363.465 2.671 0 50 FFAA COc1cccc(F)c1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529182623 WNIZPVIDDDEPBQ-SJLPKXTDSA-N 370.424 2.732 0 50 FFAA COc1cc(Cl)c(CN(CCN(C)C)Cc2[nH]cnc2C)cc1OC 1704337141 WORMRGFWQGEHAU-UHFFFAOYSA-N 366.893 2.953 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(Cl)c3Cl)C[C@H]2O)n[nH]1 1704280045 LOJGDCPRPUBEDF-QMTHXVAHSA-N 354.237 2.701 0 50 FFAA COc1cc(-c2onc(N3CC[C@@H](CN(C)C)C3)c2C(=O)O)ccc1F 1704324990 BFVQJWVQCCSTQD-NSHDSACASA-N 363.389 2.575 0 50 FFAA Cc1ccc2occ(CN3CC[C@H](N4CCCCCC4)[C@@H](O)C3)c(=O)c2c1 1614983274 JDBWVARFVWGASY-PMACEKPBSA-N 370.493 2.913 0 50 FFAA CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 5071564 ODJSXSSYISCKLF-UHFFFAOYSA-N 352.481 2.918 0 50 FFAA O=C(NCc1ccccn1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 11936979 OXNDLWRFWDYJKL-INIZCTEOSA-N 371.868 2.833 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 12138278 HQCRXRQGCOZIME-IBGZPJMESA-N 368.433 2.921 0 50 FFAA CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCC(=O)OC 13880865 LZNHYTJGTWURJU-NTEUORMPSA-N 365.407 2.693 0 50 FFAA Cc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c(C)c1 15769291 YEHWXFBNHXSLEQ-MRXNPFEDSA-N 360.479 2.947 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c2ccccc2c1=O 18009014 NWJHRCZEFAQBHY-UHFFFAOYSA-N 352.346 2.663 0 50 FFAA COc1ccc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)c(F)c1 19791268 NEFQWQPUKIZLEX-KRWDZBQOSA-N 368.518 2.599 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3ccccc3CC(=O)N(C)C)c2n1 1857667783 QOPIFUBHLDLIRA-UHFFFAOYSA-N 374.448 2.830 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C2 1857675307 SAAFTMLUMPEGBF-MRXNPFEDSA-N 356.344 2.691 0 50 FFAA CCn1nc(C)c(-n2ccnc2-c2cnc(N3CCOCC3)s2)c1C 1857692871 YFCPTEILOLHDPQ-UHFFFAOYSA-N 358.471 2.666 0 50 FFAA O=C(c1cccc2c(Cl)cccc12)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857733535 NNXITJMXRRSJMW-APWZRJJASA-N 356.809 2.667 0 50 FFAA Cn1cc(-c2csc(CNc3ccc(CN4CCOCC4)cc3)n2)cn1 252571732 YLWWWABUOFQHSY-UHFFFAOYSA-N 369.494 2.988 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)o1 162865280 SOAQTDIRBQMSJF-BEFAXECRSA-N 374.462 2.729 0 50 FFAA COc1ccccc1C[C@](C)(CO)NC(=O)Nc1c[nH]c2nccc-2c1C 2325781723 ANFFVWOHYFEGJC-HXUWFJFHSA-N 368.437 2.947 0 50 FFAA N[C@@]1(c2ccccc2)CCN(C(=O)N=c2cc(-c3cccc(F)c3)o[nH]2)C1 2325859923 PXKUJZKZRGIIMU-FQEVSTJZSA-N 366.396 2.994 0 50 FFAA CC(C)C(=O)NC[C@H](C)CN=c1[nH]c2cccc(Br)c2o1 2325867881 IIHYIUFKBIRAMJ-JTQLQIEISA-N 354.248 2.832 0 50 FFAA CC(C)CCn1c(SCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 637466 OPVWONMPDCWLHQ-UHFFFAOYSA-N 372.494 2.772 0 50 FFAA CCOC(=O)CC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 780164 WFIZDPFKEHUGBH-UHFFFAOYSA-N 369.439 2.668 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O 797743 BEHNYWOOBNQPQJ-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 1134475 BYXMBETWBLINCP-UHFFFAOYSA-N 368.842 2.574 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 1151507 MFSDUWFVFGLXGX-ZDUSSCGKSA-N 360.435 2.644 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1 1299729 RIKLLPBLRCPXRV-SFHVURJKSA-N 359.451 2.956 0 50 FFAA biogenic,in-vitro O[C@H]1CCN(c2nccn3c(-c4cccc(OC(F)(F)F)c4)cnc23)C1 2356143150 WKFDPTLZDAJHRW-LBPRGKRZSA-N 364.327 2.866 0 50 FFAA O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 2874529 FVGXLTJRNWAZBJ-ZDUSSCGKSA-N 370.430 2.704 0 50 FFAA Cc1ccccc1S(=O)(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356166988 QNMNNFKPERKGGD-SFHVURJKSA-N 350.484 2.549 0 50 FFAA COCCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 4569295 SSAHQENHZIJGCQ-UHFFFAOYSA-N 366.461 2.968 0 50 FFAA O=C1NCCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)[C@@H]1c1ccccc1 246778481 ZEWJCQANHMKNTN-IYWMVGAKSA-N 361.445 2.598 0 50 FFAA COc1ccc(NC(=O)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 7687635 UPINRLCNMPYQOD-UHFFFAOYSA-N 354.472 2.854 0 50 FFAA COc1ccccc1-c1nnn(CC(=O)Nc2cccc(Cl)c2C)n1 10337700 HBNFVCYORFVFQE-UHFFFAOYSA-N 357.801 2.949 0 50 FFAA Cc1cc(Cl)ccc1NC(=S)N1CCN(C(=O)[C@@H]2CCCO2)CC1 8682321 BCKARAUVYLKYTN-HNNXBMFYSA-N 367.902 2.668 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)Cn1cc(-c2ccccc2N)cn1 23478606 XRHAOJXGTZBZRL-UHFFFAOYSA-N 373.420 2.567 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccc(F)c(F)c1 247856297 UISPYQBTFQMXNW-XZJROXQQSA-N 352.381 2.709 0 50 FFAA CN1CCC[C@H](NC(=O)Nc2nnc(CCC(=O)c3ccccc3)s2)C1 20202540 JFYQXNBIBKEQBX-AWEZNQCLSA-N 373.482 2.569 0 50 FFAA C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@H]1CCCN(C2CCC2)C1 248402592 NKCIYWACFJWKMX-WAARBJQMSA-N 361.530 2.896 0 50 FFAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(-c2ccccc2C)cc1 65435526 LTJKZOKYGLCZNT-PKOBYXMFSA-N 353.418 2.801 0 50 FFAA CC(=O)N[C@H]1C[C@@H](c2cccc(OCC(N)=O)c2)O[C@@H](C2CCCCC2)C1 65458874 RZBJOYLSDIICBS-RLLQIKCJSA-N 374.481 2.856 0 50 FFAA O=S(=O)(Nc1cnc2ccccc2c1)c1cnn(C2CCOCC2)c1 137176418 COKVCPPVXJNLGA-UHFFFAOYSA-N 358.423 2.584 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCOC(C)(C)C3)C2=O)cc1 67851897 CBNRGRLDKAXYRA-JOCHJYFZSA-N 374.525 2.774 0 50 FFAA O=C(c1ccc(N[C@@H]2CCSC2)nc1)N1CCC(Cn2cccn2)CC1 20209253 BMLOTZYQMVKJEY-QGZVFWFLSA-N 371.510 2.748 0 50 FFAA CCc1cc(C)c(C(=O)N2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)o1 331691325 YRXUSJUVYCIFJW-LBPRGKRZSA-N 372.347 2.518 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)Cc2cn3ccsc3n2)C[C@H]1O 65396710 ZZMDLJVUUYBCIO-ZIAGYGMSSA-N 361.492 2.685 0 50 FFAA CCOC(=O)/C(=C/c1ccc(C(=O)NC)cc1)c1ccc(OCC)cn1 328597056 CYXXIWVJDREOGL-SFQUDFHCSA-N 354.406 2.944 0 50 FFAA Cn1c(Cl)cnc1CN(Cc1nccs1)[C@H]1CC12CCNCC2 328607985 XWWUOFDFDIZAMD-LBPRGKRZSA-N 351.907 2.674 0 50 FFAA Cn1cc(OCC(=O)Nc2cc(Cl)cc(Br)c2O)cn1 253397619 ZQLYFEQQKSSJTN-UHFFFAOYSA-N 360.595 2.559 0 50 FFAA CCc1ccc(C(=O)CCC(=O)NC(C)(C)CCS(C)(=O)=O)cc1 173297744 AAECZQDEPZDRRN-UHFFFAOYSA-N 353.484 2.541 0 50 FFAA Cc1cc(C)c(C(=O)N2CCO[C@@H](CCCc3ccccc3)C2)c(=O)[nH]1 71388742 KSKPOQYGCJLMRF-SFHVURJKSA-N 354.450 2.856 0 50 FFAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414251 JOESMOONTSNGKT-DNVCBOLYSA-N 368.481 2.601 0 50 FFAA Cc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)C[C@H]2NC(=O)C2CC2)cc1 77487116 HJIJORONAJGJEU-LEWJYISDSA-N 366.509 2.840 0 50 FFAA O=C(CN1CCC[C@H]1Cn1cc(C2CC2)nn1)N1CCC[C@@H]2CCCC[C@H]21 328927523 FXMHGOQCLXXPQN-CMKODMSKSA-N 371.529 2.801 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)c1 366771774 ZFTQCQMJHUHPBJ-UONOGXRCSA-N 355.438 2.548 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H](Cc1c[nH]cn1)n1cccc1)C2 71315072 OXOIWQDQECHQFW-SFHVURJKSA-N 364.453 2.526 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1 215842598 MBWMACVSUOSYKL-UHFFFAOYSA-N 350.422 2.638 0 50 FFAA COc1cc(C)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 30768755 FRQMIWCUEHLCSB-UHFFFAOYSA-N 360.479 2.510 0 50 FFAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(=O)O)cc1 217680676 VOTYVCPRWVFKQU-AWEZNQCLSA-N 371.345 2.642 0 50 FFAA biogenic Cc1ccc(CN2CCN(C(=O)c3cncc(Cl)c3)CC2=O)cc1C 77377141 MFCMQMQYKWYJHX-UHFFFAOYSA-N 357.841 2.836 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(C(C)C)n2ncnc2n1 216173071 PGQBSYBZUDJNBA-CQSZACIVSA-N 354.414 2.830 0 50 FFAA Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(F)c4)cc3C)CCO2)o1 376034541 KXFZLNLLEZDOQT-INIZCTEOSA-N 355.373 2.860 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@H]1COc2ccccc2O1 215911126 GPVQASMSNIVMJP-MRXNPFEDSA-N 355.419 2.937 0 50 FFAA Cc1ccc(C(=O)NCCC(=O)NC2CCN(c3ccccc3)CC2)cc1 218835160 RDYVOALINNBJQM-UHFFFAOYSA-N 365.477 2.900 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(COc3cncc(Cl)c3)on2)on1 71314987 OOFKORWMKXOUGK-UHFFFAOYSA-N 362.773 2.871 0 50 FFAA Fc1cccc(-c2[nH]ncc2CN2CCCN(c3ncccn3)CC2)c1 215303539 WMZXOWXXWINIFR-UHFFFAOYSA-N 352.417 2.718 0 50 FFAA O=C(C[C@@H]1CCCN1S(=O)(=O)C[C@H]1CCCOC1)c1ccc(F)cc1 239882273 DAWHCBHNFRGAED-YOEHRIQHSA-N 369.458 2.619 0 50 FFAA CC[C@](C)(NS(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C)cs1 175028350 OHCIAKUYLOXENH-HNNXBMFYSA-N 356.517 2.908 0 50 FFAA Cn1ccnc1CC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 77357824 YEKODGDARBBPAM-OAHLLOKOSA-N 351.447 2.735 0 50 FFAA Cn1c(S)nnc1CNC(=O)c1cc2ccccc2cc1OC(F)F 132254658 ZLHWFBPRQAKDCD-UHFFFAOYSA-N 364.377 2.788 0 50 FFAA Cc1cc2n(n1)CCCN(c1nc(-c3ccccn3)nc3c1c(C)nn3C)C2 72477698 GUKCXZPBJRZGQG-UHFFFAOYSA-N 374.452 2.649 0 50 FFAA CN(C)[C@@H](CNc1nc(C2CC2)nc2c1CCNCC2)c1cccs1 72428071 NHGYVLVHYHKKCN-INIZCTEOSA-N 357.527 2.819 0 50 FFAA CCc1nc(C)sc1C(=O)N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 72128426 UBHQYNUIWSVKHH-CQSZACIVSA-N 357.479 2.818 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CCC[C@@](O)(CN(C)C)CC1 72134739 ZGGHFTFTXBKKGX-IBGZPJMESA-N 368.543 2.704 0 50 FFAA O=C(COc1ccc2ccc(=O)oc2c1)N1CC[C@@H](CN2CCCCC2)C1 174533744 WYYLBQNZRYRNRU-INIZCTEOSA-N 370.449 2.506 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)c3ccc([C@@H]4CCCN4)s3)CC2)n1 19535341 MOLRINJDPQFASP-HNNXBMFYSA-N 371.510 2.542 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)coc2c1 426503057 QTUWOSQFMDGAQZ-OAHLLOKOSA-N 363.479 2.875 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)n1 426584626 FRRZYAYMAKVLBS-MRXNPFEDSA-N 369.494 2.774 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)N[C@H](C)c3nc(-c4ccccc4)no3)C2)n1 426423831 XJNNEPUOCAHMOT-CQSZACIVSA-N 366.425 2.877 0 50 FFAA CSCC[C@@H](NC(=O)NC1(CO)CCCC1)c1nc2ccccc2[nH]1 426641459 VFJKBFAEWPYWKE-OAHLLOKOSA-N 362.499 2.961 0 50 FFAA O=S(=O)(c1ccc(-c2cccc(-n3cnnc3)c2)cc1)N1CCCC1 96165940 VOIXROXGVFGTFL-UHFFFAOYSA-N 354.435 2.719 0 50 FFAA CC(C)(C)c1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(-c2ccccc2)n1 97655358 HCHGSVTYGMQEGA-KBPBESRZSA-N 359.449 2.991 0 50 FFAA COc1cc(F)c(CN2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1OC 95358310 IHKJEVHNRLVLQG-IIBYNOLFSA-N 373.424 2.813 0 50 FFAA C[C@@H](c1ccc(C(=O)N(CCO)Cc2nccs2)o1)N1CCCCC1 97634992 NRNPOIOGNHGAQK-AWEZNQCLSA-N 363.483 2.918 0 50 FFAA O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N[C@H]1CCS(=O)(=O)C1 426620027 LDALXVZPSRKVEA-HNNXBMFYSA-N 366.870 2.571 0 50 FFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 97301244 NJWFQHWQGRLZRE-INIZCTEOSA-N 355.438 2.531 0 50 FFAA CN(C)[C@H](C(=O)NCc1csc(N2CCCC2)n1)c1ccc(F)cc1 95378882 DBNMBEIRUBRROE-INIZCTEOSA-N 362.474 2.802 0 50 FFAA COc1ccncc1CNCc1ccccc1N(C)C1CCN(C)CC1 292721109 PHZLDRHRRBQRIW-UHFFFAOYSA-N 354.498 2.910 0 50 FFAA Cn1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)c2ccccc21 97217486 QJBDCYMYIWZIRQ-LJQANCHMSA-N 366.392 2.891 0 50 FFAA Cc1cccc(C)c1OCCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 92028497 WMTRVDWHJRGTCU-QGZVFWFLSA-N 358.482 2.932 0 50 FFAA CCc1c(C)nn(CCNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)c1C 91831164 JKGQSSSATJVCCP-UHFFFAOYSA-N 353.426 2.588 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NC[C@H](CO)Cc2ccsc2)c1 91664514 DSBAOVSFJWNFJV-CQSZACIVSA-N 371.462 2.728 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccc(C)c1C 239274940 AYZQVILEIMQFPH-LXJANLPBSA-N 364.445 2.667 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@@]2(C)CC[C@@H](C(=O)N(C)C)C2(C)C)n1 91390891 OCWZQZDPFOFWHP-OXJNMPFZSA-N 362.518 2.537 0 50 FFAA COc1ccc(NC(=O)CC[C@H]2CCCN(CCn3cnnc3)C2)c(C)c1 95500060 JVFNMCODUARCJU-QGZVFWFLSA-N 371.485 2.726 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2cscn2)C1)c1ccc2c(c1)OCO2 95522212 SYGLQRTVHHLYBD-CYBMUJFWSA-N 359.451 2.514 0 50 FFAA O=C([C@@H]1CCCN1C(=O)c1ccccc1O)N1CCc2c(F)cccc21 184298518 ICUFSCHCIUGUPM-KRWDZBQOSA-N 354.381 2.725 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)CCO1 299749891 LZCWVFCMQUHCSN-KRWDZBQOSA-N 359.353 2.934 0 50 FFAA O=C(NCc1cccc(F)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263618640 UUGARPMXURPPQD-QGZVFWFLSA-N 370.359 2.758 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)c2cnn(Cc3ccccc3)c2)n1 65373520 RGEXKBKWFJIJQH-QGZVFWFLSA-N 351.410 2.990 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 299763372 ZZDNUKFICLWTGU-INIZCTEOSA-N 369.469 2.985 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)cs2)c1 299772282 VAZSRRPOEMSGDM-HNNXBMFYSA-N 357.479 2.992 0 50 FFAA CO[C@H]1COC[C@@H]1NC(=O)Cn1c2ccccc2c2cc(Cl)ccc21 824506474 FVYGMGCVCWJPRX-YJBOKZPZSA-N 358.825 2.978 0 50 FFAA Cc1c(NC(=O)[C@H](c2cccnc2)N2CCOCC2)cc2nc[nH]c2c1C 827654451 MVKPEIJVTHTDCR-IBGZPJMESA-N 365.437 2.587 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1C(=O)N(C)C 824699800 BHDWYEOSNVWNHN-HNNXBMFYSA-N 374.437 2.602 0 50 FFAA COc1cc(CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)cc(OC)c1 584901740 MXRJVIQBGFVUBZ-UHFFFAOYSA-N 366.421 2.738 0 50 FFAA C=CC(=O)NCCC1CCN(C(=O)[C@@H]2COc3cc(C)c(C)cc32)CC1 1875386135 JSJPVBOFWJWQHB-GOSISDBHSA-N 356.466 2.710 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3csc(=NC4CC4)[nH]3)cn2)c1C 1875356139 HCEFYOQTCCBWOK-UHFFFAOYSA-N 354.439 2.589 0 50 FFAA C=CC(=O)N[C@@H]1C[C@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875385740 AJCIWUICJBBYOP-BDAKNGLRSA-N 359.373 2.505 0 50 FFAA O=S(=O)(c1cccc(F)c1)N1CC[C@H](Oc2cc(F)cc(F)c2)C1 1875331981 HWTYHMIFAKISHE-AWEZNQCLSA-N 357.353 2.946 0 50 FFAA CNC(=O)C[C@@H](NC(=O)c1ccc(-c2nc(C)no2)cc1)c1ccccc1 1875262878 ZDIFSPFYGUPFPF-QGZVFWFLSA-N 364.405 2.652 0 50 FFAA CN1C(=O)c2cc(Br)ccc2N[C@H]1c1ccn(CCF)n1 1875272254 YRDIMJOXVFQYKH-CYBMUJFWSA-N 353.195 2.811 0 50 FFAA O=C(N[C@@H]1CC[C@H]2CNCC[C@H]2C1)c1ccn(-c2ccc(F)cc2F)n1 1875292399 HHCUUYYFPLXHDQ-KCQAQPDRSA-N 360.408 2.659 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(C)(N4CCCCC4)CC3)n[nH]c21 1875295307 FRZAJEFOYKDTSJ-CABCVRRESA-N 360.502 2.913 0 50 FFAA COc1ccc(C(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)cc1Cl 952985735 DGWCAOBPQMUAPV-HNNXBMFYSA-N 354.878 2.513 0 50 FFAA Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c(C)n1Cc1ccccc1 896580356 HJXQMWRQGFIOQO-LAUBAEHRSA-N 368.525 2.517 0 50 FFAA COc1ccc([C@H]2CN(Cc3cncn3CC(C)C)C[C@@H]2NC(C)=O)cc1 1565507658 PRHKDUJVTSFDJB-RTWAWAEBSA-N 370.497 2.652 0 50 FFAA O=C(O)[C@H]1CN(Cc2cncn2Cc2ccccc2)C[C@@H]1c1ccccn1 1565525522 GQDNMSJXTNXSGT-OALUTQOASA-N 362.433 2.627 0 50 FFAA Cc1ccc(C(N)=O)c(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 1565526852 OTDWPICXDUUNMO-QUCCMNQESA-N 361.445 2.997 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c(O)n1 278441133 PJJZLKHKQSQUAA-SNVBAGLBSA-N 354.332 2.857 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1SCCc2sccc21 170644420 HHCYJQWQTNIUHF-LBPRGKRZSA-N 366.537 2.653 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)COc2ccccc2)C1 190534856 RVGOKUFFRRMDRR-INIZCTEOSA-N 359.495 2.811 0 50 FFAA C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1nnnn1C1CC1 191661980 QGSFABYTHAUQIU-SECBINFHSA-N 358.402 2.762 0 50 FFAA COc1cccc(F)c1C(=O)Nc1ccccc1N1C(=O)N[C@@H](C)C1=O 1506405848 DCFBWBFZMVLROW-JTQLQIEISA-N 357.341 2.531 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1CN(C)c2ccccc2O1 1506402080 LVJKCCRHGKTYOG-LJQANCHMSA-N 364.405 2.592 0 50 FFAA O=C(O)[C@H](c1cccc(-c2ccccc2)c1)N1CCOC2(CCNCC2)C1 1529100709 XELJQDBTHXZMJN-FQEVSTJZSA-N 366.461 2.934 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)CCc2ccc(Cl)cc2)C[C@H]1O 1704342943 GQDOMPCXEFRNRD-QAPCUYQASA-N 353.846 2.737 0 50 FFAA COc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1OCc1ccccc1 225967400 FNEKGOGRVKREEK-MRXNPFEDSA-N 355.390 2.963 0 50 FFAA O=c1/c(=C\c2ccc(O)c(Br)c2)sc2nc3ccccc3n12 5062137 PMMHHDJSPYEJFK-RIYZIHGNSA-N 373.231 2.925 0 50 FFAA CN(Cc1ccc(Oc2ccccc2)cc1)C[C@]1(O)CCCN(C)C1=O 12385495 PQHZFJGBJCLWGY-OAQYLSRUSA-N 354.450 2.894 0 50 FFAA COc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCC(C)CC1 14397121 HQHQNWJGWZYMBW-UHFFFAOYSA-N 368.499 2.502 0 50 FFAA CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 16603090 GUOOJMLYAWUPEL-GFCCVEGCSA-N 355.276 2.817 0 50 FFAA CCN1CCC(N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 19867454 VVYQVRDLKQKOFZ-JOCHJYFZSA-N 374.548 2.896 0 50 FFAA O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCc2[nH]nc(C3CC3)c2CC1 1857679686 QJDZAZXJZYHTDS-MRXNPFEDSA-N 365.481 2.526 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C)s3)C2)nn1 14999543 VFJGHRPIBMYVNO-OAHLLOKOSA-N 361.515 2.967 0 50 FFAA CCCn1ncc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)c1C1CC1 153838618 TYEFBVWDEBQVTM-QGZVFWFLSA-N 371.485 2.525 0 50 FFAA Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc2n[nH]cc12 499267480 UTBQAHIMECISIO-UHFFFAOYSA-N 353.407 2.858 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(CO)CC1 121799653 SEXYZMIOMQRCEB-IRXDYDNUSA-N 359.514 2.557 0 50 FFAA Cc1cc(CN(C)S(=O)(=O)c2cc(Br)ccc2C)on1 330397294 GSXYPTFYWYZVJJ-UHFFFAOYSA-N 359.245 2.875 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)n[nH]2)o1 2100545565 WVDOBHBPIYXNAP-CRAIPNDOSA-N 351.406 2.969 0 50 FFAA O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1ccon1 14886261 NHFLEYYROGQQHS-SFHVURJKSA-N 361.829 2.616 0 50 FFAA Cn1cc(-c2ccccc2)nc1NC(=O)c1cc(CC2CCNCC2)on1 2325792164 HURKAQLCFYMNCN-UHFFFAOYSA-N 365.437 2.870 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H]1c1ccc(Br)s1 860773529 OAXLLXCSQUSYJC-SNVBAGLBSA-N 357.273 2.819 0 50 FFAA N[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 876552637 XTLIMXVPMBMBML-XJKSGUPXSA-N 366.339 2.661 0 50 FFAA COC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 636202 OEOSLVFJJWOSEA-UHFFFAOYSA-N 362.345 2.671 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1ccc(I)o1 2708093 LVTQMVNZAPTUAV-UHFFFAOYSA-N 371.130 2.923 0 50 FFAA O=C(NCc1cccc(F)c1)c1cc2c(s1)CCOC21CCNCC1 2356145818 JQTWDABUPYMNLX-UHFFFAOYSA-N 360.454 2.969 0 50 FFAA COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1Cl 2866852 QXUSDJYQUUOCEZ-UHFFFAOYSA-N 352.818 2.997 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cn4ccsc4n3)C1)CC2 2356153552 LTSBUJGJQLFCCB-IBGZPJMESA-N 367.478 2.543 0 50 FFAA CC(C)N1CC[C@H](N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)C1 2356163090 XFGIQAONBUZTFL-HNNXBMFYSA-N 364.511 2.793 0 50 FFAA Cc1ncsc1CN1CCC[C@@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356170253 DELJJLASDISBMD-BXWFABGCSA-N 363.527 2.712 0 50 FFAA CC(=O)O[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 4535997 UNEWPABCEADDIA-IBGZPJMESA-N 356.397 2.779 0 50 FFAA O=C(O)CCC(=O)N1N=C(c2ccc[nH]2)C[C@H]1c1cnc2ccccc2n1 225504446 LRLORWYUUNUHQA-KRWDZBQOSA-N 363.377 2.500 0 50 FFAA CCOc1nc2ccc(C(=O)Nc3ccc4c(c3)CCN4C(N)=O)cc2[nH]1 469889314 LMOPZNBNKVWIQL-UHFFFAOYSA-N 365.393 2.655 0 50 FFAA COc1cccc(CN2CCN(CCc3ccccc3)C[C@H]2CCO)c1 104639738 JTSDTENKAGUQJI-OAQYLSRUSA-N 354.494 2.807 0 50 FFAA CC(C)CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO 104373820 TUOBRUJZIDNDKD-HXUWFJFHSA-N 356.514 2.991 0 50 FFAA COc1cccc2c1OCCCN(C(=O)c1ccccc1NCC(=O)O)C2 55243228 CIGXXNNXIGQALH-UHFFFAOYSA-N 370.405 2.617 0 50 FFAA Cc1cccc(-c2noc(CN(C)C(=O)c3cnn4cc(C)cnc34)n2)c1 65490803 YURNYWXAJUCQIP-UHFFFAOYSA-N 362.393 2.668 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1OC 20149381 HDLFHIURXANDAH-QGZVFWFLSA-N 358.486 2.566 0 50 FFAA COCCN1C[C@@H](c2nc(-c3cnn(-c4ccccc4C)c3)c[nH]2)CC1=O 20909783 JUNYGOWOQZBBEK-HNNXBMFYSA-N 365.437 2.533 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 1506421707 LSZPFTNXGXIXLL-MRXNPFEDSA-N 373.478 2.884 0 50 FFAA COc1ccc(OCc2nc(C(=O)N(C)Cc3ccccn3)co2)cc1 11668061 ZHVSROTXFSOHQJ-UHFFFAOYSA-N 353.378 2.929 0 50 FFAA Cn1cc(-c2c[nH]cc2C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)cn1 427456031 NLFZRSIAZOSVPD-INIZCTEOSA-N 367.428 2.953 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC([C@@H](O)c2cccs2)CC1 1506417518 MMFFDZQHBGONEU-LJQANCHMSA-N 359.447 2.992 0 50 FFAA COc1ccc(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328626224 DWUCGGVAZBEAMN-ZDUSSCGKSA-N 354.376 3.000 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2nc(C)ccc2O)[C@@H]1c1cnn(C)c1 328630757 JSSIODNXVGWOSO-OXJNMPFZSA-N 357.502 2.734 0 50 FFAA CC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccnc3)CC2)c1C 252485031 GMSNFDFYTOTJFV-OAHLLOKOSA-N 355.486 2.952 0 50 FFAA COc1ccc2oc(CNC[C@@H]3CCc4c(C(=N)O)cnn4C3)cc2c1 328630555 JNBPXWFXHSOWHX-LBPRGKRZSA-N 354.410 2.873 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)c1ccnn1C 12387316 BOEWAMJSVAKAEO-CQSZACIVSA-N 356.474 2.780 0 50 FFAA Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1 72428077 RYAVEIICFALMMK-ZDUSSCGKSA-N 368.462 2.692 0 50 FFAA CS(=O)(=O)Cc1noc(CNc2ccccc2N2CCCCCC2)n1 172866784 NLQJCGVZKLXOHQ-UHFFFAOYSA-N 364.471 2.607 0 50 FFAA C[C@]1(C(=O)N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)CC=CCC1 333042488 FGVYKGWSFJHVSZ-UWJYYQICSA-N 372.513 2.694 0 50 FFAA CCc1nc(C)sc1C(=O)N1CCc2nnc(-c3ccccc3)n2CC1 215095439 MLHFSTGUSNJXCU-UHFFFAOYSA-N 367.478 2.971 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 378024779 IDWFPOICMDCNAO-IINYFYTJSA-N 364.339 2.547 0 50 FFAA CC[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1N1CCOCC1 378177299 DJCIBYMVDUSKLZ-CZUORRHYSA-N 367.877 2.923 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)n1 218977612 MEHIDZOMRXQSLQ-LBPRGKRZSA-N 367.375 2.617 0 50 FFAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(-c2nnc(S)o2)cc1 241784845 RXECKTRMRLWFIE-MGPQQGTHSA-N 357.435 2.713 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)Nc1ccc(-c2nncs2)cc1 242389645 ZZEZMGITWXNLTK-UHFFFAOYSA-N 373.467 2.742 0 50 FFAA CCNc1nc(N2CCN(c3nc(C)cc(C)n3)CC2)nc2ccccc12 41147582 OISIMTSODVPVLL-UHFFFAOYSA-N 363.469 2.795 0 50 FFAA CC(C)[C@@H](NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2)C(=O)O 263209484 NIDVQTNNCMCQHF-MRXNPFEDSA-N 359.401 2.729 0 50 FFAA Cc1nc(O)c2c(n1)CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 426677898 FUTQXJNNXKLNQW-UHFFFAOYSA-N 358.829 2.900 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(-c2cccc(N)n2)cc1)c1ncnn1C 426614971 AMSTZFVLABFMKY-QGZVFWFLSA-N 364.453 2.977 0 50 FFAA Cc1nccc(C2CCN(C(=O)CCc3nc(-c4ccco4)no3)CC2)n1 426667662 VHOYHZOIRFVTDC-UHFFFAOYSA-N 367.409 2.767 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1 426641413 BQAVBDWHJNIATO-UHFFFAOYSA-N 372.490 2.535 0 50 FFAA COc1ccc(-c2[nH]ncc2CN2CCCn3nc([C@H](C)O)cc3C2)cc1 221234823 AKNNYQSPRVXYRG-AWEZNQCLSA-N 367.453 2.741 0 50 FFAA O=C(NCc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCN1C1CCNCC1 426428395 TXTANMIPTSYOPC-IBGZPJMESA-N 371.456 2.918 0 50 FFAA COc1cc(CN2CCN3CCC[C@H]3[C@H]2C)cc(Br)c1O 22035462 ARODFCGKXNCSMI-RISCZKNCSA-N 355.276 2.832 0 50 FFAA Cc1ccccc1COC1CN(C(=O)c2cnc(-c3cccnc3)nc2)C1 95354954 SWGPTNJGUMCXDP-UHFFFAOYSA-N 360.417 2.888 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 95354093 HQMDOLLKTQDRLE-OAHLLOKOSA-N 374.510 2.729 0 50 FFAA O=C(c1cn(Cc2ccccn2)nn1)N1C[C@@H]2CCCCN2c2ccccc21 294456389 WCJKQOPRPRQEOW-KRWDZBQOSA-N 374.448 2.741 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 426739959 WLTYPQJCJQEHIJ-OAHLLOKOSA-N 367.457 2.684 0 50 FFAA COCc1ccc(C(=O)NC2CCN(C3CCSCC3)CC2)s1 97696276 ZRCKPXQABACVJQ-UHFFFAOYSA-N 354.541 2.984 0 50 FFAA CSc1nccc(N2CCC(NC[C@@H](C)Oc3cccnc3)CC2)n1 95510106 FXLRTHHGEKHQIY-CQSZACIVSA-N 359.499 2.619 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N(C)CCc1noc(C)n1 95385895 YYESBUUKGNDKKR-HNNXBMFYSA-N 355.442 2.942 0 50 FFAA CCOc1cc(Cl)c(CN2CCN([C@@H]3CCNC3)CC2)cc1OCC 97551381 VBNVFKGGVKCTFJ-MRXNPFEDSA-N 367.921 2.617 0 50 FFAA Cn1nc2cccc(NC(=O)NC[C@H]3CCCN(Cc4ccco4)C3)c2n1 97551431 BKECSLNDIZELFG-CQSZACIVSA-N 368.441 2.595 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)NC3(C(=O)O)CCCC3)CC2=O)cc1 95529148 JOQRFHZTEGGVOD-OAHLLOKOSA-N 358.438 2.677 0 50 FFAA Cc1ccccc1[C@H](C(=O)NCc1csc(-c2ncccn2)n1)N(C)C 95497329 ZJBKFXISBQMMST-MRXNPFEDSA-N 367.478 2.828 0 50 FFAA CCc1nccn1CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN2C 95500314 OYSDPIGPHRPQNU-LJQANCHMSA-N 366.509 2.926 0 50 FFAA Cc1cc(Br)ccc1NC(=O)Cn1cnc(Br)n1 253426032 LQQHWPSOHWEBAZ-UHFFFAOYSA-N 374.036 2.750 0 50 FFAA CC(C)C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ncnn1C 534653759 GGVLDIMQBXUORE-QGZVFWFLSA-N 362.522 2.562 0 50 FFAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cnn(CC(=O)NC)c2)cc1 534575294 USTFSFPAAMFHSD-LJQANCHMSA-N 366.465 2.867 0 50 FFAA O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1CCCN(C2CCOCC2)C1 299795992 LMXXIGMVTOAIFE-GOSISDBHSA-N 358.482 2.519 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)N[C@H](CC(C)C)c3ncnn3C)c2)[nH]1 299791590 DTPPHIZXIHLQHL-OAHLLOKOSA-N 368.445 2.818 0 50 FFAA CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCNCC2 299756906 DJQGPPRARXNWOM-MOPGFXCFSA-N 351.450 2.593 0 50 FFAA O=C1CCCN1CCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299779842 OFEVOEHHWMRNTL-KSZLIROESA-N 366.465 2.928 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)NCC[C@H](C)N1CCN(C)CC1 299787115 OYIXIQFWVMUZCY-AWEZNQCLSA-N 368.909 2.805 0 50 FFAA CCCc1ncncc1C(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 299790316 BCHZBUWRVJIFLC-UHFFFAOYSA-N 371.466 2.729 0 50 FFAA Cc1csc(CCNC(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 584893073 SYABAQZMULQHDU-UHFFFAOYSA-N 371.466 2.667 0 50 FFAA CC(C)(C)c1ccnc(SCCOc2ccc(S(N)(=O)=O)cc2)n1 920063713 QAQVXELZUGGTDP-UHFFFAOYSA-N 367.496 2.593 0 50 FFAA COc1ccc(-n2cc(C(=O)NC[C@@H](C)c3ccccc3OC)nn2)cc1 1875271514 JHARFBDJOZWYIF-CQSZACIVSA-N 366.421 2.818 0 50 FFAA CN(Cc1ccco1)C(=O)NCC(=O)NCc1ccccc1C(F)(F)F 1875289659 HRMBOHMERNHAMX-UHFFFAOYSA-N 369.343 2.756 0 50 FFAA Cc1nnc(CCCC(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)n1C 1875299770 VIPUTVASWHSROC-CQSZACIVSA-N 360.433 2.697 0 50 FFAA C[C@@H]1C[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)CCN1C(=O)c1ccncc1F 1875406633 ITLKJTBTADPMHU-RDNQGFKOSA-N 359.445 2.910 0 50 FFAA O=C(N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@@H]21)c1ccc(C2CC2)o1 1875407220 VKZZXUIDLJXOFD-FXUDXRNXSA-N 354.450 2.924 0 50 FFAA CC[C@]1(C)C[C@H]1C(=O)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCC12CCC2 1875405062 OMVPTEHVEXZISW-YZVOILCLSA-N 358.486 2.595 0 50 FFAA COCCn1nnc2c1C[C@@H](c1nc(-c3occc3C(C)C)no1)CC2 952891985 BHCDQXRPEVFKAG-LBPRGKRZSA-N 357.414 2.963 0 50 FFAA CN1CCn2nc(NC(=O)NCc3ccccc3C(F)(F)F)cc2C1 880812863 LZRUIZFYQNEVBD-UHFFFAOYSA-N 353.348 2.669 0 50 FFAA Cc1ccccc1OCCc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096379 DADLSNDICDYROB-YJBOKZPZSA-N 354.410 2.974 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(CCc3c(F)cccc3Cl)C2)n1 886091694 LXGBLSPIELCRCP-QGZVFWFLSA-N 353.825 2.783 0 50 FFAA C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCN[C@@H]([C@@H]3CCCO3)C2)n1 1343303717 XKINKXNGKJABIL-OWYHZJEWSA-N 368.481 2.978 0 50 FFAA Cn1ccnc(N2CCC[C@@H](NCc3cc4ccccc4s3)C2)c1=O 275700332 XMNNSQNOXLJQEK-OAHLLOKOSA-N 354.479 2.754 0 50 FFAA Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C 170086154 VHPLUDPYDFBBBY-VXGBXAGGSA-N 365.524 2.707 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)C12CCCC2 170636826 KWHDXUCAQZVUQG-OKZBNKHCSA-N 357.450 2.964 0 50 FFAA COc1ccccc1N1CCC(NC(=O)c2ccnn2CC(F)F)CC1 279252735 POALTIUZCBDBHK-UHFFFAOYSA-N 364.396 2.556 0 50 FFAA Cc1ccccc1C[C@H](C)NC(=O)N1CCS(=O)(=O)c2ccccc2C1 187583036 RUJLPLSTSGOFIG-INIZCTEOSA-N 372.490 2.925 0 50 FFAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cccc(O)c2)CC1 193814879 FLCMDBZWYPUHCL-APWZRJJASA-N 361.486 2.819 0 50 FFAA O=C(c1ccc(Cl)o1)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 780006360 JSJXTOGGVLGSJB-CQSZACIVSA-N 362.817 2.537 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CN(Cc2ccc3c(c2)CCO3)CC[C@@H]1O 1704280218 VMJGEAIGYWHTPT-UNMCSNQZSA-N 367.445 2.502 0 50 FFAA c1ccc(CN2CCC(N[C@@H]3COC[C@H]3Cc3ccncc3)CC2)cc1 1704331313 LVAYQEHJLDIAAW-IFMALSPDSA-N 351.494 2.893 0 50 FFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(NC(C)=O)c1)C2 1704329045 SFLFQGIVHVHOEU-MSOLQXFVSA-N 366.483 2.615 0 50 FFAA Cc1c(CN2CC[C@H]3[C@H](CCC(=O)N3CCCN)C2)oc2ccccc12 215299538 ARTPSMILLVBCOH-AEFFLSMTSA-N 355.482 2.903 0 50 FFAA Cc1ocnc1C(=O)N1CCCN(C(=O)c2cc3ccccc3o2)CC1 1772700944 KDKJEHZNWWASEZ-UHFFFAOYSA-N 353.378 2.718 0 50 FFAA CCCCn1c(CN2CCCC[C@@H]2CCCO)cnc1S(=O)(=O)CC 11664819 GHHCGYYHJRLYLR-MRXNPFEDSA-N 371.547 2.604 0 50 FFAA COCc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)s1 12027520 WGPWBDKJGNEWLO-CYBMUJFWSA-N 350.484 2.948 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3c(F)cccc3Cl)C2)C1=O 12579335 SBZTUSCEQLVGES-GOSISDBHSA-N 354.853 2.940 0 50 FFAA COc1ccc([C@@H](CC(=O)N2CCN(C(C)=O)CC2)c2ccccc2)cc1 12706301 BGGKHMWEYMPWBB-NRFANRHFSA-N 366.461 2.908 0 50 FFAA CC1CCN(Cc2nnnn2CCCC(=O)NC2CCCCCC2)CC1 12718975 HFBQVJFXNDHMKF-UHFFFAOYSA-N 362.522 2.524 0 50 FFAA OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1cccs1 19228539 UHSZIIXRDXLNPQ-KRWDZBQOSA-N 374.506 2.588 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 205360688 UKMWTNLJBQVZRN-UHFFFAOYSA-N 351.399 2.928 0 50 FFAA CC[C@]12COC(=O)N1CCN(Cc1nc(-c3ccccc3Cl)no1)C2 1857690957 WLFKVSDQAUVTDT-KRWDZBQOSA-N 362.817 2.807 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@]23CC[C@H]1O3 1857710424 WTOLDQVOIDHNBB-GVUVQVDQSA-N 373.541 2.706 0 50 FFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc(C)n1 1857730610 XLMLAAMJIMHYFW-HSALFYBXSA-N 351.450 2.643 0 50 FFAA CC(C)[C@@H]1CN2C[C@H](NC3CCN(Cc4ccccc4)CC3)C[C@H]2CO1 1857737660 XXDJKLMEAQELCK-FSSWDIPSSA-N 357.542 2.738 0 50 FFAA COC1CCC(CC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)CC1 328615764 ZCSJHULMWYYTLH-YMAMQOFZSA-N 351.447 2.688 0 50 FFAA O=C(N[C@H]1CCO[C@@H]1c1cncc(Br)c1)[C@H]1C[C@@H]1C1CC1 332783401 LARWKVBCLREFII-CBBWQLFWSA-N 351.244 2.836 0 50 FFAA Cc1ccc(C)c(OCCCCC(=O)N2CCc3c(O)ncnc3C2)c1 241965669 UUWVAEXDDUCLOP-UHFFFAOYSA-N 355.438 2.933 0 50 FFAA O=C(N[C@H](C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1 820547 FXQHZKQXHQFHHE-KRWDZBQOSA-N 365.414 2.717 0 50 FFAA O=C(O)[C@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 912149 YZNOCZYSARSFSL-CYBMUJFWSA-N 354.431 2.837 0 50 FFAA biogenic COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(C)c(CC(C)C)[nH]1 4626000 AXVIBKRYHKJMDZ-AWEZNQCLSA-N 355.504 2.713 0 50 FFAA O=C(c1cccc2ncnn12)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 2100545247 LDTUUNACQSJXFG-OAHLLOKOSA-N 374.404 2.799 0 50 FFAA CN1C[C@]23CCC[C@]2(C1)CN(c1ccc2nnc(-c4ccccc4)n2n1)C3 2325775669 ZEAOXGCHMDRDMY-SFTDATJTSA-N 360.465 2.713 0 50 FFAA CS(=O)(=O)CC1(c2noc(-c3ccc4c(c3)CCC[C@H]4N)n2)CCC1 2325777216 MREBNQKRQSFNAZ-OAHLLOKOSA-N 361.467 2.539 0 50 FFAA N[C@@H]1CC2(CCN(c3cc(=O)n4ccccc4n3)CC2)Oc2ccccc21 2325791139 XZYFWEZZNQFGIQ-MRXNPFEDSA-N 362.433 2.516 0 50 FFAA CN1Cc2ccccc2[C@@H]1CNC(=O)c1cnn(-c2cccc(F)c2)c1 2325856777 BPXPQANXMZNHLW-IBGZPJMESA-N 350.397 2.928 0 50 FFAA FC(F)(F)Oc1ccc(-c2nc(Cn3nccn3)nn2CC2CC2)cc1 2325878298 KJMGKZHACQHKFE-UHFFFAOYSA-N 364.331 2.894 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1COc2ccccc2O1 797604 JKDKXNBFRMMDQB-LJQANCHMSA-N 353.418 2.691 0 50 FFAA biogenic O=C(NC(=S)Nc1cccc(Cl)c1N1CCOCC1)c1ccco1 1065396 NPPNWUDMOUQJCV-UHFFFAOYSA-N 365.842 2.896 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2nc(C3CC3)nn2CC1 2356136773 JHVVVZOFBAJBHA-CQSZACIVSA-N 354.454 2.621 0 50 FFAA COc1cc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc(OC)c1 2356143915 CIUGTFHZCMBSNA-UYAOXDASSA-N 365.470 2.778 0 50 FFAA O=C(CSc1ncccn1)Nc1ccc(I)cc1 2881311 HLGPZNWBOIGDCO-UHFFFAOYSA-N 371.203 2.812 0 50 FFAA CC(=O)Oc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 4857074 JLLOJGYTLRCYRE-UHFFFAOYSA-N 358.419 2.903 0 50 FFAA CN(C)C(=O)COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 6701123 XGANTIALAYUVOD-UHFFFAOYSA-N 356.466 2.852 0 50 FFAA CCOc1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1 54277982 ZHDVBQLVDWGHIL-IBGZPJMESA-N 368.433 2.842 0 50 FFAA Cc1ccn2ncc(C(=O)NC3CCN([C@@H](C)c4ccccc4)CC3)c2n1 116067581 UKDLWXSHFNJBII-INIZCTEOSA-N 363.465 2.993 0 50 FFAA Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](OCc2cccnc2)C1 67773846 QRNCRGCFPVCSMZ-QGZVFWFLSA-N 353.422 2.536 0 50 FFAA O=C(CN1C(=O)c2cccc3cccc1c23)NCCCN1CCCCC1 10278508 DCHVNQAOUSMMFW-UHFFFAOYSA-N 351.450 2.792 0 50 FFAA OC[C@@H]1N[C@H](c2cc3c(cc2Cl)OCO3)[C@@H]2CN(c3ccccc3)C[C@@H]21 65506543 DNJLSPKEYNINMH-NVALYEJGSA-N 372.852 2.827 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C(C)C)n3ncnc3n2)C1 67713806 ROZSWVGTTHSFSM-AWEZNQCLSA-N 367.457 2.553 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)cc1F 67621889 KGXNRZYLBZYGMW-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1CN1CCOCC1 24379562 HNTXMUFCILCAJK-INIZCTEOSA-N 372.440 2.742 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71754008 USMZAUXAQOJZKA-AWEZNQCLSA-N 353.205 2.895 0 50 FFAA O=C1C[C@@H](c2cnc(-c3ccccn3)nc2)c2cnn(Cc3ccco3)c2N1 65490073 WXAZHWFWXFDNPV-HNNXBMFYSA-N 372.388 2.851 0 50 FFAA CN(C(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C1CCNCC1 125512262 ITNAGXRYKIFPCU-UHFFFAOYSA-N 352.360 2.715 0 50 FFAA Cc1nnc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 71524271 ZUMBTKHTDHVUPN-QGZVFWFLSA-N 360.433 2.776 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)NCCn2c(=O)[nH]c3ccccc32)n1 120410067 HNZYBHCUGFSUIR-GOSISDBHSA-N 365.437 2.580 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 67818127 IHGBFCLUJWMZNY-KRWDZBQOSA-N 368.481 2.715 0 50 FFAA O=C(NCC1CCOCC1)c1coc(COc2cccc3cnccc23)n1 67725732 YTXRJIWGEVLPBL-UHFFFAOYSA-N 367.405 2.958 0 50 FFAA O=C(COc1ccc(I)cc1)n1cc(Cl)cn1 997740 WEHMQHSBXGYZEZ-UHFFFAOYSA-N 362.554 2.860 0 50 FFAA O=C(CCCC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1)c1ccccc1 215784707 GKBPEWYAEFNNDQ-UHFFFAOYSA-N 363.421 2.738 0 50 FFAA COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](Cc1ccccc1)C(C)C 155339835 ZMPDQHMJZPRVBU-DLBZAZTESA-N 356.470 2.891 0 50 FFAA O=C(c1ccc(Cn2cccn2)o1)N1CCN(Cc2cccc(F)c2)CC1 72474509 DMLDZSWIPSUXIY-UHFFFAOYSA-N 368.412 2.622 0 50 FFAA CN(Cc1cnn2ccccc12)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328629207 HYSRVEWDOKTNHD-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)CO[C@@H]2CCCC[C@H]2C)o1 328609381 DBBDJIMCZQIWAV-QLFBSQMISA-N 351.447 2.688 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)CCCC2)cc1 72158056 LPPKNWMBHPXMOV-IBGZPJMESA-N 358.438 2.560 0 50 FFAA O[C@@H](CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)CC(F)(F)F 328604890 LRYYMKMJUSZDNG-XJKCOSOUSA-N 359.392 2.689 0 50 FFAA O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC(=O)N(C2CC2)C1 12314497 JIMPSNFMCJBUHS-GFCCVEGCSA-N 356.344 2.602 0 50 FFAA COC(=O)c1cc(CN2CCCC[C@@H]2CCN2CCCC2=O)ccc1O 77516366 FBOYCWPNNGIJOP-MRXNPFEDSA-N 360.454 2.546 0 50 FFAA COC(=O)c1cc(CN2CCN(Cc3ccc(C)cc3)C(=O)C2)cs1 72169954 UZTPAKCRMOQSGW-UHFFFAOYSA-N 358.463 2.688 0 50 FFAA CC(C)c1cc(NC[C@H](c2ccncc2)N2CCOCC2)n2nccc2n1 72432821 WEKXAQKJMJWTLY-GOSISDBHSA-N 366.469 2.733 0 50 FFAA CCOc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)O)CC2)o1 72408729 SEIKRSLVXOUTLT-UHFFFAOYSA-N 359.378 2.817 0 50 FFAA C[C@H]1CN([C@H](CNCc2ncc[nH]2)c2c(F)cccc2Cl)CCO1 261883302 USGDNMYGDVSGLD-SWLSCSKDSA-N 352.841 2.754 0 50 FFAA CN1CCCC[C@@H]1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72476107 UYVMSFXPHGICLU-MRXNPFEDSA-N 370.415 3.000 0 50 FFAA Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(N)=O)CC(C)C)cc12 159815227 JSODRQDVIUECPD-UHFFFAOYSA-N 370.478 2.979 0 50 FFAA CC(C)C(=O)N1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 176280405 LAWIINSRMNHJAQ-UHFFFAOYSA-N 367.449 2.576 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(F)cc2)C1 241157252 JWEFSLMCXQBUKJ-WMZOPIPTSA-N 362.445 2.764 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cnc(N3CCOCC3)nc2)C1 82120513 LTGGRTJXPRUWQW-KRWDZBQOSA-N 366.465 2.641 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 17073976 GKGMJZXJBUDAIZ-PCHAPFSGSA-N 358.438 2.599 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(CCc2ccccc2)CC1 17075435 QGTMLDCKJGUTFW-UHFFFAOYSA-N 367.449 2.850 0 50 FFAA NCc1nnc(SC[C@@H]2CCOC2)n1-c1cccc(C(F)(F)F)c1 426388616 YQZUDBULOAXGOT-SNVBAGLBSA-N 358.389 2.873 0 50 FFAA CN1CCN(c2ccc(C(=O)N[C@H]3COC4(CCCCC4)C3)cc2)CC1 222445399 AQHGSGZYARSJLG-GOSISDBHSA-N 357.498 2.660 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC(Oc2ccccc2Cl)CC1 82092176 DCMRDBZINDFPIQ-UHFFFAOYSA-N 360.841 2.962 0 50 FFAA CCC[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2Cl)C[C@H]1N(C)C 82126724 VSQRZGAVLWJMBR-CXAGYDPISA-N 361.877 2.723 0 50 FFAA Cc1occc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O 20110104 QNXQJTCTRGNNES-MOPGFXCFSA-N 354.450 2.739 0 50 FFAA CNc1cc(C)nc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 95365761 SPRMJKNVYFRHPL-INIZCTEOSA-N 363.469 2.851 0 50 FFAA CC[C@H](CNC(=O)c1cccc(-c2ccc(OC)c(C(N)=O)c2)c1)N(C)C 426662110 LYMBEEVYJMOYTG-QGZVFWFLSA-N 369.465 2.531 0 50 FFAA Cc1ccccc1OCC(=O)N1CCC(c2nccn2CCN(C)C)CC1 91562791 NYQUJPOLKVCLMN-UHFFFAOYSA-N 370.497 2.538 0 50 FFAA COc1nccnc1-c1ccc(C(=O)NC[C@H](C)n2nc(C)cc2C)cc1 426724032 SWYADAZPRIYLKE-HNNXBMFYSA-N 365.437 2.957 0 50 FFAA NCCO[C@H]1C[C@@H](O)C12CCN(Cc1c(Cl)cccc1Cl)CC2 91616391 GVJKSEDXUHRCPA-CVEARBPZSA-N 359.297 2.684 0 50 FFAA CN(C)c1ccc(CN2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cn1 91550878 UAFYWPBWVSWGGB-OAQYLSRUSA-N 356.514 2.762 0 50 FFAA Cc1nn(CCO)cc1-c1c(-c2ccccc2)ncn1[C@H](C)CC(=O)O 91616668 CRFPSXQVVZTDRZ-CYBMUJFWSA-N 354.410 2.750 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)Nc3ccc(-n4cccn4)cc3)C2)no1 96164619 LYZRGEBEHZLMCJ-AWEZNQCLSA-N 352.398 2.975 0 50 FFAA CSCc1noc(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)n1 95356328 ZTEDDMBFFWACBQ-UONOGXRCSA-N 352.504 2.594 0 50 FFAA COCCN1CCC[C@]2(CCN(c3nnc(-c4ccccc4)s3)C2)C1=O 91691731 SGSUSCQWTRJCDJ-LJQANCHMSA-N 372.494 2.670 0 50 FFAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1cn2ccsc2n1 91563153 BLLMTSUXZGBHFY-CYBMUJFWSA-N 364.434 2.784 0 50 FFAA Cc1ccc([C@H](C(=O)NC2CCN(C(=O)C3CCCC3)CC2)N(C)C)cc1 95380964 WZTWUHWOABZVBT-HXUWFJFHSA-N 371.525 2.895 0 50 FFAA Cc1ccc(OCC(=O)N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cc1C 91650053 JBIYEFCNVLIJRI-WOJBJXKFSA-N 374.525 2.625 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]2N(C)C)cc1 95499977 HQCFEFPLVGAVGB-LEWJYISDSA-N 367.493 2.931 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@H](OCc3cccnc3)C1)CCC2 91820248 YDOKEQRRYQJLCI-KRWDZBQOSA-N 367.449 2.795 0 50 FFAA CCn1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)cc1=O 91943074 FTZXMIKRQIMVHE-UHFFFAOYSA-N 368.481 2.885 0 50 FFAA CCN1C[C@@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)CCC1=O 92003757 JWAYWMLYEKAXHX-INIZCTEOSA-N 368.481 2.538 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N(C)CCN(C)C3CCCC3)c(=O)[nH]2)cc1 91876915 IFVUPULWFNYBPG-UHFFFAOYSA-N 368.481 2.692 0 50 FFAA Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 95380476 DAWKGCLQRXFOJX-MRXNPFEDSA-N 363.527 2.738 0 50 FFAA Cc1c(NC(=O)CN(C)Cc2csc(-c3cccs3)n2)cnn1C 244678790 IKEICFCJNYXBBZ-UHFFFAOYSA-N 361.496 2.984 0 50 FFAA c1ccc(COC2CCN(Cc3nc(-c4cccnc4)no3)CC2)nc1 244795509 RHPVAQGIFRVQOV-UHFFFAOYSA-N 351.410 2.708 0 50 FFAA CNc1cc(-n2nc(C)cc2NC(=O)[C@@H]2CCCC(F)(F)C2)ncn1 298781278 VXTNUAJNKGRXHT-LLVKDONJSA-N 350.373 2.776 0 50 FFAA COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1C 253413861 VWJCMRDCYIWUTQ-UHFFFAOYSA-N 363.439 2.574 0 50 FFAA CC(C)Cc1noc(CNC(=O)N(C)Cc2nnc(-c3ccccc3)o2)n1 534593090 TYTUUVUILLXZCF-UHFFFAOYSA-N 370.413 2.660 0 50 FFAA CCc1nnc(CNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1 289951740 UXKBXDFEAIODGL-CQSZACIVSA-N 362.455 2.980 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)[C@H](O)CCSC)s2)c1 299769855 JMDLYESEODMCKU-CQSZACIVSA-N 352.481 2.549 0 50 FFAA Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N[C@H](C)c1c(C)n[nH]c1C 299782031 MPIOEKWDIASZSF-SNVBAGLBSA-N 365.459 2.589 0 50 FFAA CC(=O)Nc1ccc(C)c(NC(=O)N2CCN(C3CCCC3)C(=O)C2)c1 299778866 IFIATHMDCYEMCT-UHFFFAOYSA-N 358.442 2.572 0 50 FFAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cncnc1O 299785384 YMCRIIIMKLLWKT-LJQANCHMSA-N 350.422 2.988 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)CN2C[C@@H]3CC[C@H]2C3)s1 299786692 OPKSRKFQXSBERU-KGLIPLIRSA-N 357.479 2.919 0 50 FFAA CCc1[nH]c2c(CNS(=O)(=O)c3cnn(C)c3C)cc(C)cc2c1C 71759636 PHBWIUJRYSEDAN-UHFFFAOYSA-N 360.483 2.868 0 50 FFAA Brc1cn(C2CC2)c2ncnc(NCC3(n4ccnn4)CC3)c12 1875404484 KMJURYFXDSFXEC-UHFFFAOYSA-N 374.246 2.721 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)CSc3nccc(C)n3)C2)c1OC 952978126 XHMNMQDIHLIIBS-CQSZACIVSA-N 373.478 2.910 0 50 FFAA C[C@]1(CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCOC2(CCC2)C1 894653356 RVFDQEKLYGAHNT-GGPKGHCWSA-N 359.466 2.999 0 50 FFAA Cc1cc(NCC2(O)CCS(=O)(=O)CC2)c2ccc(C)c(Cl)c2n1 1349993098 VFZDSKYTFOZEJN-UHFFFAOYSA-N 368.886 2.857 0 50 FFAA OC[C@@H]1CCN(Cc2csc(C34CC5CC(CC(C5)C3)C4)n2)C[C@@H]1O 1565526341 NHGJGTPEWGZSBK-GLHTWIJOSA-N 362.539 2.786 0 50 FFAA CC(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC=C(C)C)C3)c(O)nc1C 1565514001 QYQWZSOXAVZDJU-IRXDYDNUSA-N 371.481 2.801 0 50 FFAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1ccc(Cl)c(Cl)c1 275379185 YNYPEYKTFDSIGJ-JTQLQIEISA-N 360.266 2.731 0 50 FFAA CC(=O)N1CC(CNC(=O)c2ccccc2SCc2c(C)noc2C)C1 170604121 OBZIDRCQDGUSMV-UHFFFAOYSA-N 373.478 2.792 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cccc(C(N)=O)c2)C1 190460519 GGWHGNVAOPHIPU-MRXNPFEDSA-N 358.511 2.504 0 50 FFAA Cc1noc2ncnc(NCC3CCN(C[C@H](O)c4ccccc4)CC3)c12 192451355 FFWLPIAYBZRHAT-KRWDZBQOSA-N 367.453 2.784 0 50 FFAA Cc1csc2c(=O)n(CC(=O)N3CCC[C@@H](C(F)(F)F)C3)cnc12 195412572 LOELNYHIJOMGBW-SNVBAGLBSA-N 359.373 2.567 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 1506427219 KRWGDRYPISVKTH-MRXNPFEDSA-N 373.840 2.644 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 1506425714 CSCGQYHTCSBTNM-SFHVURJKSA-N 356.470 2.572 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@H]2O)on1 1529101681 LLYFBIGKHHNGDT-DNVCBOLYSA-N 353.422 2.757 0 50 FFAA O=C(CCC1CCCC1)N1CC[C@H]2[C@H](CCC(=O)N2CCCCO)C1 217018067 YXLBZHRLUOOMSI-MSOLQXFVSA-N 350.503 2.569 0 50 FFAA Cc1noc(C)c1CC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616068411 BSMLPMFDBRUALM-JXFKEZNVSA-N 365.433 2.756 0 50 FFAA COc1ccc(CN2CCC[C@](CO)(CN(C)C)C2)c2c(OC)cccc12 1772712066 GRXRFNVITJPBIW-QFIPXVFZSA-N 372.509 2.993 0 50 FFAA Cc1ccc(NC(=O)N2CCCN(C(=O)[C@H]3CCOC3)CC2)cc1Cl 1775980699 HRCPMRNXOCNRRE-AWEZNQCLSA-N 365.861 2.751 0 50 FFAA NC(=O)CCC(=O)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 11816084 GSGCLLJDHCJCTJ-LJQANCHMSA-N 366.461 2.702 0 50 FFAA CN1C(=O)C[C@@](CC(=O)N(C)C2CCCCC2)(c2cccc(F)c2)C1=O 12040918 UEWNRVHQJPJFQV-FQEVSTJZSA-N 360.429 2.633 0 50 FFAA O=C(CCn1cncn1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12297899 UPOOFJLQJMRLKF-FQEVSTJZSA-N 359.518 2.563 0 50 FFAA O=C(NC1CCCC1)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12305568 XYURVSKGDAZLSO-IBGZPJMESA-N 370.541 2.817 0 50 FFAA COc1cccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3C)c1 14538705 GNNSQEJERLBGPZ-UHFFFAOYSA-N 359.470 2.580 0 50 FFAA COCCSc1nnc(CCNC(=O)c2cccc3ccccc23)n1C 14971480 CPNVCOHALHCNLC-UHFFFAOYSA-N 370.478 2.679 0 50 FFAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1CCc1cccnc1 14985537 BJGZKHMZXCOCLY-LJQANCHMSA-N 371.456 2.813 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)Cn2ccc(-c3cccn3C)n2)o1 19794501 NSNQVPKVVFTCMB-UHFFFAOYSA-N 364.409 2.674 0 50 FFAA COc1ccc(Cc2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)on2)cc1 19836550 NIQBFXGLFNNCMZ-LBPRGKRZSA-N 354.410 2.807 0 50 FFAA Cc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccccn5)n4)c3CO2)cc1 169769372 BJBRKQXDQRTRGX-MRXNPFEDSA-N 360.377 2.970 0 50 FFAA CS(=O)(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2CC1 1857688871 SVJCBVKIYQMOOQ-SFHVURJKSA-N 366.527 2.518 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C3CCN(CCc4ccccc4)CC3)CCN12 1875242840 DYOAKDVMLCFBAK-XZOQPEGZSA-N 371.569 2.879 0 50 FFAA Cc1sc2[nH]c(CCc3nc(-c4ccccn4)no3)nc(=O)c2c1C 109498579 CBPZGBIJHWZXOF-UHFFFAOYSA-N 353.407 2.832 0 50 FFAA C[C@]1(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1(F)F 421753216 YOFHBQQZWCKKFL-GOSISDBHSA-N 350.409 2.772 0 50 FFAA COc1cccc([C@H](CO)NC(=O)c2ccn(-c3ccccc3Cl)n2)c1 771186747 NAANCRZKXNKAAY-KRWDZBQOSA-N 371.824 2.998 0 50 FFAA O=C(Cc1ccncc1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 20867505 WHNMVDUSRLJOQK-OAQYLSRUSA-N 364.493 2.780 0 50 FFAA O=C1CC[C@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)N1 157555712 NFYAMZYZEGGLDR-OAHLLOKOSA-N 371.264 2.780 0 50 FFAA Cc1cc(C)c(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c(O)n1 265825322 PDXRGZLGNHFZCJ-UHFFFAOYSA-N 357.429 2.891 0 50 FFAA O=C(c1ccc(CO)c(F)c1)N1CC[C@@H](c2ccc3cccnc3n2)C1 912350306 HPAMFHIUJDRBMB-OAHLLOKOSA-N 351.381 2.891 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 917629173 XYSRLTNBBPDYGB-LLVKDONJSA-N 351.362 2.783 0 50 FFAA O=C(NOCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 856345633 LYXWIOUSYHNFRK-AWEZNQCLSA-N 368.380 2.741 0 50 FFAA CC(C)N(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325725854 CFHGJTJVCDGMGH-UHFFFAOYSA-N 365.433 2.582 0 50 FFAA CN(C)C(=O)c1ccc(N2CCC[C@H]2COc2ccc(Cl)cc2)nn1 840242356 SQVSYMPUJXGHNU-AWEZNQCLSA-N 360.845 2.880 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)C1 2325888589 IMASMGOYAALJIN-ZWNOBZJWSA-N 369.248 2.968 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC=C(c2cccc(Br)c2)CC1 860828549 IAVLXLUGFCQJGZ-UHFFFAOYSA-N 363.255 2.709 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1ccc(CO)cc1 1446276233 QETXFKWDMUTAKR-ZDUSSCGKSA-N 362.788 2.507 0 50 FFAA COc1cc(F)c(S(=O)(=O)NC2CC3(COC(C)(C)C3)C2)c(F)c1 908001544 QIGIEZOHIFQDME-UHFFFAOYSA-N 361.410 2.599 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 2739289 JOYNFTZYFAUFHS-CVEARBPZSA-N 360.454 2.625 0 50 FFAA COc1ccc(N2C(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4247990 POOWTJLPWKAPNC-ZWKOTPCHSA-N 372.446 2.616 0 50 FFAA CCOc1c(Cl)cc(Cl)cc1CNCCSc1nnnn1C 4998066 IRQNLENRGANOQU-UHFFFAOYSA-N 362.286 2.798 0 50 FFAA Cc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)n1 6055969 HWWKSUMXFVUGNF-UHFFFAOYSA-N 371.448 2.846 0 50 FFAA CCc1ccc2oc(=O)cc(CN3Cc4ccccc4C[C@H]3C(N)=O)c2c1 65387421 RSDIAZZQONMLSI-IBGZPJMESA-N 362.429 2.768 0 50 FFAA Cc1cccn2c3c(nc12)CNC(=O)C[C@H]3c1nc(-c2ccccc2)no1 65380637 GWTDGRIHHAKQLZ-CQSZACIVSA-N 359.389 2.845 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 67878456 VSLLIJJXWBEGKX-MRXNPFEDSA-N 366.469 2.960 0 50 FFAA O=C(CCc1cc(F)ccc1F)N[C@H]1CCN(C(=O)C2CCCC2)C1 136487939 JMIFHQQEJQJZQO-INIZCTEOSA-N 350.409 2.805 0 50 FFAA c1ccc(COc2cccc(CN3CCN(c4cnccn4)CC3)c2)nc1 179410815 ADHMXXZGHDEBOJ-UHFFFAOYSA-N 361.449 2.773 0 50 FFAA Cc1[nH]nc(-c2ccsc2)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 409413451 MGEBJOWOQWWZFL-MRXNPFEDSA-N 369.446 2.801 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc(N3CCN(C)CC3)cc2)c1 65419540 CZBNOMXDGQONKO-SFHVURJKSA-N 366.509 2.845 0 50 FFAA COc1ncccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72167377 DBPAWXBIYUJULW-VAMGGRTRSA-N 363.461 2.793 0 50 FFAA Cc1nc(CN2CCC3(CC2)CN(C[C@H](C)c2ccccc2)C(=O)O3)no1 77408241 WYWHZGBDSRUAOY-HNNXBMFYSA-N 370.453 2.969 0 50 FFAA O=C(NCC1CCC(C(F)(F)F)CC1)N1CCC[C@@H](n2ccnn2)C1 425677379 FBEKEPHJAHGSSV-JXQTWKCFSA-N 359.396 2.993 0 50 FFAA Cc1nn(C[C@](C)(O)c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12 125475012 JALOXDQFIQZXBX-INIZCTEOSA-N 367.327 2.928 0 50 FFAA CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1noc(C2CCCC2)n1 215491421 OALIMMKENVMGSV-MRXNPFEDSA-N 372.473 2.740 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCOc1ccccc1C 72431609 IAFQVWDLIPATBP-LJQANCHMSA-N 373.541 2.686 0 50 FFAA COc1ccc(OC2CCN(C(=O)Cc3ccc(CO)cc3)CC2)cc1 72418645 ZTUKEQHSHPWMST-UHFFFAOYSA-N 355.434 2.800 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CCC1=O 77470060 HGAYGPSNBASMDK-HXUWFJFHSA-N 358.486 2.932 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)Cc3ccc(O)c(Cl)c3)C2)CCC1=O 72418973 IKJHUMGBCIBHEY-IBGZPJMESA-N 364.873 2.839 0 50 FFAA COc1ccccc1OC1CN(c2nc(C(C)C)nc3c2cnn3C)C1 72159188 CMRRWYKHMRTZKU-UHFFFAOYSA-N 353.426 2.763 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1 368833776 LBKUXCJEIJFMOF-ZDUSSCGKSA-N 356.382 2.706 0 50 FFAA CCn1cc(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)ccc1=O 369087460 IFDXEMJSWGWLKY-CQSZACIVSA-N 362.380 2.547 0 50 FFAA Cc1c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)O)oc2ccc(F)cc12 332210601 GHSVIASTMJPJAL-LKFCYVNXSA-N 355.387 2.754 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NCCCS(C)(=O)=O)C1 156969926 DFDAITOPBDQZRZ-GASCZTMLSA-N 352.500 2.651 0 50 FFAA CC(C)(C)c1ccc([C@H](CNC(=O)c2csnn2)N2CCOCC2)cc1 32497967 SOXBKGXHSCAHFF-KRWDZBQOSA-N 374.510 2.639 0 50 FFAA CN(C)c1ncnc2c1CCN(C(=O)c1ccc3cccc(Cl)c3n1)C2 71721271 LTEHKMPGFDKUHY-UHFFFAOYSA-N 367.840 2.943 0 50 FFAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1ccc(Cl)s1 72169019 AOGWYZBFFIAONJ-CVEARBPZSA-N 362.882 2.868 0 50 FFAA Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 332775954 NRIKQMMLSFDUDH-WDSOQIARSA-N 357.498 2.935 0 50 FFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1coc(C2CCCCC2)n1 332721538 GEFPMMWMTIRTBH-CVWICYPGSA-N 368.477 2.961 0 50 FFAA COc1cccc([C@H](O)C(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)c1 378303704 HEGLFJLWEZLOQV-HKUYNNGSSA-N 357.454 2.623 0 50 FFAA Cc1ccc(-n2nc(Br)cc2C(=O)N2CCC[C@H](N)C2)cc1 158051109 KYVMGWRKJFHSJJ-LBPRGKRZSA-N 363.259 2.507 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3c(C)nn(C)c3C)C2)CCC1=O 77519950 DHLJCBMJACINNX-HXUWFJFHSA-N 360.502 2.682 0 50 FFAA O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cccc2c1OCO2 176974962 DYXCEPIOHQFTFC-UHFFFAOYSA-N 358.360 2.810 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCN(C2CCOCC2)CC1 177040902 GPUUGEYJYMWKNJ-UHFFFAOYSA-N 373.280 2.939 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCN1Cc2ccccc2C1=O 220453732 ANYATOCLBCCQGD-UHFFFAOYSA-N 374.444 2.877 0 50 FFAA CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 138668264 OMKVUZTWFUHSOQ-XRRVDJEJSA-N 351.424 2.919 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)C1 223333571 UYPZQPKLBGEADI-MRXNPFEDSA-N 363.454 2.867 0 50 FFAA CCCc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)c2cnoc2C)cc1 82091159 ILMYPXJBNGGTIX-IRXDYDNUSA-N 373.428 2.918 0 50 FFAA O=C(Cn1cnc2ccccc21)N1CCN(c2cccc(Cl)c2)C(=O)C1 82087015 DGQRJYJUHYRIKF-UHFFFAOYSA-N 368.824 2.565 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N1CCCN(Cc2ccncc2)CC1 82134935 DAEPIOYDUMKMGY-UHFFFAOYSA-N 353.470 2.652 0 50 FFAA COc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)ccc1O 220429888 LIGDVZUOKGILTG-ALLBUHFWSA-N 369.417 2.578 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccnc(C(C)C)n3)CC2=O)cc1 426519245 LCIROLIMZVZZHU-OAHLLOKOSA-N 352.438 2.786 0 50 FFAA Cc1cc(C)c(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)cc1C 82127068 DTFACJVNYCRQEU-UHFFFAOYSA-N 369.513 2.985 0 50 FFAA O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1onc2c1CCCC2 426423130 VEPYVONUDCOQFE-LLVKDONJSA-N 359.813 2.742 0 50 FFAA Cc1cccnc1CCNC(=O)N1CCC(OCc2ccccn2)CC1 426632863 JPKSCKYXBGEQOR-UHFFFAOYSA-N 354.454 2.718 0 50 FFAA COc1cccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c1 91270147 YYWYRNNOQJEREB-RBUKOAKNSA-N 370.493 2.877 0 50 FFAA CN(Cc1cccnc1)[C@H](C(=O)O)c1ccc(NC(=O)N2CCCC2)cc1 95358690 ISRZKCMKKCHUSF-SFHVURJKSA-N 368.437 2.967 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCc4cc(C(N)=O)n(C)c4C3)oc2c1 91364925 XHRGFNNLDSJOOM-UHFFFAOYSA-N 351.406 2.686 0 50 FFAA O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCC[C@H]1Cn1ccnc1 180692490 CLKABFJIZBCVTE-LBPRGKRZSA-N 374.807 2.561 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1)N1CCN(C)CC1 95392286 VMKNYCBDVZAUPL-KRWDZBQOSA-N 360.546 2.731 0 50 FFAA O=C(COc1ccc(F)cc1)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91574298 BGFLLHYNIUYUIV-NRFANRHFSA-N 374.456 2.988 0 50 FFAA Cc1cccnc1[C@H](NC1CCN(c2ncnc3[nH]cnc23)CC1)C1CC1 96139856 ZIJGNHLDOWJVCD-QGZVFWFLSA-N 363.469 2.766 0 50 FFAA CC[C@@]1(CO)CCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C1 91325659 BXDYLAYPRXGIFR-GOSISDBHSA-N 353.846 2.665 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1(C)C 91434126 NLZZGDZBNCSLOP-INIZCTEOSA-N 356.470 2.889 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3ccc(-n4ccnc4)cc3)C2)N1CC1CC1 91951779 BSXJUFLFPIYUOD-AZUAARDMSA-N 350.466 2.705 0 50 FFAA Cc1cc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 95367123 YMNIMCYKONUNFR-BHIYHBOVSA-N 373.403 2.964 0 50 FFAA Cc1cc(N2CCC3(CC2)[C@@H](OCCN(C)C)C[C@H]3O)c2ccccc2n1 91426796 KNTDCWAXNZOUDV-RTWAWAEBSA-N 369.509 2.841 0 50 FFAA O=C(Cc1cscn1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 96162689 AONFVLYCBATHBL-UHFFFAOYSA-N 369.490 2.509 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 95380424 IXQSCFWTFJICDY-QGZVFWFLSA-N 367.449 2.912 0 50 FFAA COc1ccccc1CN(Cc1ccncc1)C(=O)c1cn(C)nc1C 97636647 UUHQLYDAYPDMDR-UHFFFAOYSA-N 350.422 2.975 0 50 FFAA COC(=O)c1cc(NC(=O)N2CCC3(CC2)COC(=O)O3)ccc1Cl 95498943 SCMQWEAAJYGQMN-UHFFFAOYSA-N 368.773 2.660 0 50 FFAA CN(C)[C@H](CNC(=O)CCc1csc(N)n1)c1ccccc1Cl 96180606 GMTIWDVALZZLFM-CQSZACIVSA-N 352.891 2.730 0 50 FFAA O=S(=O)(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1c(F)cccc1F 244898798 ZBUOVPSCLAJZKS-CKEIUWERSA-N 367.417 2.625 0 50 FFAA O=C(NCCCNc1cccnc1)[C@@H]1CCCCN1C(=O)c1ccccc1 244708066 KMYGIJBHSGFETF-IBGZPJMESA-N 366.465 2.695 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2cc(C3CCCCC3)no2)C1 252488521 IUDUXFWWAQEMKN-OAHLLOKOSA-N 359.474 2.723 0 50 FFAA O=S(=O)(NCCc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 263640134 YSWSDFMEYZHNBD-UHFFFAOYSA-N 356.675 2.736 0 50 FFAA CC(C)[C@@H](NC(=O)N(C)Cc1ccc(-n2cccn2)cc1)c1ncnn1C 534665984 ZITQJNOWJFYXAH-QGZVFWFLSA-N 367.457 2.540 0 50 FFAA Cc1nnc(CCNC(=O)c2cccc(-c3cccc([C@@H](C)O)n3)c2)s1 534649838 VVONYSOBQMCGIE-GFCCVEGCSA-N 368.462 2.934 0 50 FFAA CCc1nc(C)c(CNC(=O)N(Cc2cocn2)Cc2cocn2)s1 534589584 NPSMAXAOMMFCFG-UHFFFAOYSA-N 361.427 2.902 0 50 FFAA COC(=O)c1cc(Br)cc(I)c1OC 40564723 QTHJSPLRNXOZPV-UHFFFAOYSA-N 370.968 2.849 0 50 FFAA in-vitro Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@H](n2cccn2)C1 291343618 WRWMUCMNNVVORG-FZMZJTMJSA-N 369.391 2.836 0 50 FFAA Nc1nc(CCC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cs1 299763577 XVXLYNLVXXDGJK-INIZCTEOSA-N 362.474 2.750 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3nnc4n3CCCCC4)CC2)cc1 299802980 ZOADOHMGQDKMDA-UHFFFAOYSA-N 354.454 2.997 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)NCCc1cn2ccccc2n1 299800782 IUPBVZLBVIGNJH-UHFFFAOYSA-N 362.477 2.873 0 50 FFAA CCc1cc(CN(C)C(=O)NCCc2csc(-c3ncccn3)n2)on1 584898927 NLKWJKISIBDSTH-UHFFFAOYSA-N 372.454 2.535 0 50 FFAA Cc1cc(Oc2ccccc2)nc(=NCCn2cc([C@H]3CCOC3)cn2)[nH]1 1875288181 QMNQCHPOAIPPOU-INIZCTEOSA-N 365.437 2.812 0 50 FFAA COC(=O)[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H](C)Oc1cccc2ccccc12 1875297732 BRRQSRBKDRZLDH-VKJFTORMSA-N 371.433 2.692 0 50 FFAA CCCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(-n3c(C)cnc3O)cc2)C1 1875267263 PGLPBYQCJIMYRO-NVXWUHKLSA-N 371.485 2.731 0 50 FFAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cncc(S(C)(=O)=O)n2)cc1 1875369679 AWXIKXZLMFQZTP-KSSFIOAISA-N 373.478 2.802 0 50 FFAA O=C(OCCc1cccc(Br)c1)c1cc2n(n1)C[C@H](F)C2 1875322848 KJLMOQWAYZMCSB-GFCCVEGCSA-N 353.191 2.939 0 50 FFAA Cc1cc(C)nc(C2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)n1 1875393857 NKPJFRURTVMUEY-KGLIPLIRSA-N 369.469 2.859 0 50 FFAA C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c12)[C@H]1CCCCN1 1875333820 MUVUODPWAAKIQI-BXKDBHETSA-N 351.248 2.586 0 50 FFAA COCC(=O)Nc1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1OC 952964811 OREMOAKGBCRPIL-UHFFFAOYSA-N 368.311 2.950 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(CCc3ccc4c(c3)CCO4)C2)ccn1 886096532 LGTNUJZNJSOLDA-NRFANRHFSA-N 367.493 2.774 0 50 FFAA C[C@H]1CCC[C@]2(C1)NC(=O)N(Cc1cnn(Cc3ccccc3)c1)C2=O 170592499 MVWNRDPWCMMQMX-MGPUTAFESA-N 352.438 2.932 0 50 FFAA O=C(Nc1ccc(COCc2ccccc2)cc1)NN1CCCNC1=O 170609742 ALOJEPYKAFLANS-UHFFFAOYSA-N 354.410 2.855 0 50 FFAA CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 170618675 UQRIEUPJTDHRQR-ZDUSSCGKSA-N 358.417 2.762 0 50 FFAA Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)Cc3ccc(O)cc3)C2)no1 171353439 RHLIWAGQNOYHEN-BBRMVZONSA-N 358.442 2.679 0 50 FFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCC[C@H](N2CCCC2)C1 796258253 ATCZELQUCRLRAS-HOTGVXAUSA-N 356.388 2.826 0 50 FFAA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3O)C2)n1 1506421573 QPZWYFHUCMLOLT-CYBMUJFWSA-N 371.441 2.661 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1Cl 1506400881 PMAZBJHLVBBGOQ-VIFPVBQESA-N 354.255 2.802 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2nn(C)c(=O)c3ccccc23)C[C@H](C2CC2)O1 1529099358 WBRMXAOXQMBFCP-CRAIPNDOSA-N 369.465 2.743 0 50 FFAA CC(C)n1cc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cn1 1529146508 QBMHDPFGBZPXGV-UZLBHIALSA-N 364.449 2.688 0 50 FFAA CNc1ccnc(N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)n1 1704354414 BRRJAXGVPQRNJS-UHFFFAOYSA-N 370.453 2.604 0 50 FFAA Cc1cccc(S(=O)(=O)NC2(CC(=N)O)CCC2)c1Br 332503131 ZVNIPFXOHMRCEA-UHFFFAOYSA-N 361.261 2.884 0 50 FFAA Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)c1 5028134 SLRXALMNCVOLIJ-OAHLLOKOSA-N 352.390 2.993 0 50 FFAA Cc1n[nH]cc1C(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 11663347 VFSQPNZLVPJXLS-HXUWFJFHSA-N 370.428 2.512 0 50 FFAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2)c1=O 11868060 LSYFGOFPTAOPQI-UHFFFAOYSA-N 367.449 2.643 0 50 FFAA COc1ccc(CNCCCSC)cc1OC[C@H](O)CN(C)C(C)C 11873216 GEIFCVHMWQQGAI-QGZVFWFLSA-N 370.559 2.618 0 50 FFAA Cn1nc2c(c1C(=O)NC[C@H]1CC(Cc3cccc(F)c3)=NO1)CCCC2 12047534 ALTOSXYLKZJJMA-MRXNPFEDSA-N 370.428 2.555 0 50 FFAA Cc1nn(C)cc1CNc1nc(C)c(-c2ccn([C@@H]3CCOC3)n2)s1 12130536 KBCDLCYCSNHKGS-CQSZACIVSA-N 358.471 2.930 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1C(=O)c1ccoc1 12198747 NWUBJHZJEUPOBN-QGZVFWFLSA-N 350.378 2.709 0 50 FFAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)cc1C 12593948 BAHILGOKMXAKLV-KRWDZBQOSA-N 369.465 2.938 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCCOc1ccccc1)C[C@@H]2O 1857717185 NFNBIZNBSCBGHM-CIAFKFPVSA-N 353.462 2.524 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1OC 216477449 GLAIBAGETWAFJE-ZBFHGGJFSA-N 373.453 2.569 0 50 FFAA Cc1cc(S(=O)(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc(C)c1F 408213118 CZLASOFNJROTHH-CYBMUJFWSA-N 357.838 2.928 0 50 FFAA CSc1c[nH]nc1NS(=O)(=O)c1cccc(Br)c1F 225400151 ZGHMANFORAIADH-UHFFFAOYSA-N 366.237 2.834 0 50 FFAA CC(C)N1CCN(S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)CC1 225833854 UXYCINOTVLXDSW-UHFFFAOYSA-N 364.433 2.604 0 50 FFAA CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCC(c3ncc[nH]3)CC2)n1 328640896 QHVUBXYAVYSECJ-FUHWJXTLSA-N 370.501 3.199 0 50 FFAA CC(C)CNC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241923295 UEUFCKLVWDETJQ-XJNFMUPTSA-N 356.422 2.534 0 50 FFAA CCO[C@H](C)c1nccn1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 155425512 KENZYAVFNRRRKB-XXWNAHEMSA-N 374.485 2.775 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n[nH]1 162058398 QNDKIQDQSQDPGZ-YOEHRIQHSA-N 358.461 2.817 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccnn23)CCN1 2325766593 YBAWUZQFQNFTAH-GOSISDBHSA-N 361.449 2.702 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)Cn3cc([C@H]4CCOC4)cn3)cc2)c1C 2325773527 QJJYKHDCOKBTFD-INIZCTEOSA-N 365.437 2.828 0 50 FFAA COc1ccc2c(C(=O)N[C@@H]3CCCc4cc(CN)ccc43)cnn2c1 2325774923 HBRWAFOPNVVKBH-GOSISDBHSA-N 350.422 2.609 0 50 FFAA CN(Cc1cn2cccc(F)c2n1)Cc1cc(Br)nn1C 2325789072 JANKUVDJTYDNDX-UHFFFAOYSA-N 352.211 2.601 0 50 FFAA CCOc1cc(NCC2(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)nc(C)n1 2325793510 XPDVZNHNHUCUMA-ZIAGYGMSSA-N 356.426 2.641 0 50 FFAA O=S(=O)(Cc1conc1C(F)(F)F)Cc1conc1C(F)(F)F 2325799076 SOEITKOYGXWWBA-UHFFFAOYSA-N 364.223 2.815 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(F)c3c2OCC3)C1 2325811598 BTKJJDBGUZVSAD-WBMJQRKESA-N 359.401 2.703 0 50 FFAA O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccnn1C1CCNCC1 2325822151 GLSYITFARSRGGG-UHFFFAOYSA-N 360.368 2.874 0 50 FFAA COc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 622469 ITSHBWLXVXMGHU-LLVKDONJSA-N 374.462 2.998 0 50 FFAA CN(C)CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356139247 OMKRXCMRHCKJOD-OAQYLSRUSA-N 350.466 2.512 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cn4ccsc4n3)C1)CC2 2356153553 LTSBUJGJQLFCCB-LJQANCHMSA-N 367.478 2.543 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@]12CCCNC2=O 2356165415 HOUMLWZSDGFKNL-IBGZPJMESA-N 355.463 2.624 0 50 FFAA O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc2c(c1)OCCO2 3432694 FPGLRBMDYUWOFM-UHFFFAOYSA-N 370.390 2.634 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccco2)c1 4070716 MAXTXHBHBAVBQN-UHFFFAOYSA-N 352.412 2.571 0 50 FFAA O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 4487352 AFFYXZAMGFJLEF-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA CSc1nsc(SCC(=O)Nc2ccc(OC(C)=O)cc2)n1 4820478 NPOVJCRFKSUHPM-UHFFFAOYSA-N 355.466 2.916 0 50 FFAA CCCC[C@H](C)S(=O)(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 225834126 FHADPFJWRRFAFN-PKOBYXMFSA-N 368.543 2.866 0 50 FFAA COc1ccc(-n2c(S)nc3nc4c(cc3c2=O)COC(C)(C)C4)cc1 100596533 ZXWVVQFXONZXCQ-UHFFFAOYSA-N 369.446 2.929 0 50 FFAA Cc1nnc(SCC(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)o1 23399648 IARXINJUEJKUQZ-UHFFFAOYSA-N 373.413 2.584 0 50 FFAA CCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(CC)cn3)cc2C1=O 55196344 HAVVVAYHHCHMSE-UHFFFAOYSA-N 365.433 2.922 0 50 FFAA COc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 100729684 MLJFGEAJQYNJQU-CHWSQXEVSA-N 362.813 2.542 0 50 FFAA CCc1nc(CN(C)Cc2cccc(C(=O)Nc3ccccn3)c2)no1 67673149 LPDWKBQQIYOXPW-UHFFFAOYSA-N 351.410 2.911 0 50 FFAA CN(CC(=O)Nc1nccs1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 249728100 RJWIXJAQODHXFU-OCCSQVGLSA-N 372.277 2.979 0 50 FFAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1 63871240 JAORIDWGQBTIAA-ZDUSSCGKSA-N 359.455 2.536 0 50 FFAA CCc1nccn1CC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67817487 RJYPIAGNWDINBD-VQTJNVASSA-N 363.461 2.976 0 50 FFAA Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCCC2)n1 67612842 QYVLQZDOFTXWNB-UHFFFAOYSA-N 359.861 2.881 0 50 FFAA O=C(CCc1nnc(-c2ccsc2)o1)NCCc1cn2ccccc2n1 20452878 ZGWFHUDEESAUOH-UHFFFAOYSA-N 367.434 2.737 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccc(F)cc1 67725658 QUQMFACHZLAZFZ-QFIPXVFZSA-N 370.468 2.902 0 50 FFAA O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)NC(=O)NC1CCCCC1 252550360 SLRKJCSCQFDPJA-KZNAEPCWSA-N 365.518 2.551 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(NCC2CC2)nc1 67642208 NRRKHUVTOVUPOH-INIZCTEOSA-N 353.422 2.863 0 50 FFAA COc1ccc2sc(C(=O)N3CC[C@@H](N4CCOCC4)C3)c(C)c2c1 172742456 FVNVWTZOUHZPLM-CQSZACIVSA-N 360.479 2.765 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(N2CCCC2)n1 65364175 DPOZPVZWHLSAON-UHFFFAOYSA-N 358.421 2.758 0 50 FFAA Cc1cc(-c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)nn1C 2808739 IWMYZNCADGIQNX-UHFFFAOYSA-N 351.439 2.510 0 50 FFAA COc1ccc2oc(C(=O)NCCn3c(S)nnc3C3CC3)c(C)c2c1 152409758 YYKOVAWLFPUZHU-UHFFFAOYSA-N 372.450 2.937 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1=Cc2ccccc2OC=C1 72151191 FGBZREVLSQECLI-HXUWFJFHSA-N 374.440 2.936 0 50 FFAA CCn1c(N)nc2cc(C(=O)N3CCc4cc(SC)ccc4C3)cnc21 77505123 RVFIPGQDAKEZQR-UHFFFAOYSA-N 367.478 2.954 0 50 FFAA O=C([C@@H]1CN(Cc2ccc(-c3ccccc3Cl)o2)CCN1)N1CCCC1 72146616 FIKMDEIFTSNQLS-SFHVURJKSA-N 373.884 2.996 0 50 FFAA Cc1nn(CC(=O)N[C@H](C)C2=CCCCC2)c(=O)n1CCc1ccccc1 77437799 MXUHYQRJEGSDGM-MRXNPFEDSA-N 368.481 2.601 0 50 FFAA O=C(Cc1cncn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 431655497 NLBCUTDNJKBXNP-UHFFFAOYSA-N 374.488 2.818 0 50 FFAA CCN1CCN(C2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)C1=O 378308502 DJJUFFDRQSNUJG-SFHVURJKSA-N 371.481 2.553 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)C(=O)[C@@H]3C)c(C)o2)c(C)c1C 71760430 HKERTVDQTNXIFV-AWEZNQCLSA-N 357.454 2.938 0 50 FFAA O=C(O)c1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(F)c1 262411132 PIMVQCNVZOMPFL-UHFFFAOYSA-N 356.397 2.702 0 50 FFAA CCOc1ccc(CC(=O)N2CCCN(Cc3cccnc3)CC2)cc1 77342989 DOUFGWGOOPYVKA-UHFFFAOYSA-N 353.466 2.757 0 50 FFAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1cccc(F)c1 72115835 QRTQCOLBXJWXMD-UHFFFAOYSA-N 364.808 2.665 0 50 FFAA NC1(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)CCCCC1 237887862 YAQGCQGMFGLLRY-INIZCTEOSA-N 355.482 2.791 0 50 FFAA CCCc1nc(N[C@@H](C(=O)N(C)C)c2ccccc2)c2cnn(C)c2n1 72151183 LBWHXVNCKKFHFJ-MRXNPFEDSA-N 352.442 2.557 0 50 FFAA O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1ccc(C(=O)O)cc1 238107352 NMPZDKNIZJCKIN-UHFFFAOYSA-N 352.390 2.519 0 50 FFAA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)c(Cl)cc1OC(C)C 223038188 GZOXUTBFLYKZHN-CZUORRHYSA-N 357.834 2.670 0 50 FFAA CC(C)=CCN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO 20600418 PIMSZGSWHFURAU-IBGZPJMESA-N 372.488 2.846 0 50 FFAA Cc1nc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)co1 426490512 PREIXWHVQMSHEW-OAHLLOKOSA-N 363.487 2.513 0 50 FFAA Cn1cc([C@@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C2CC(O)C2)cn1 223392379 YLTDMLCVYYXYOT-SEFLRBGSSA-N 359.857 2.734 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4ncon4)C3)c12 426641358 KPTNKRVORZAGEP-LBPRGKRZSA-N 353.382 2.811 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3c[nH]cn3)C2)CN1CCc1ccccc1 82098083 NZCWBWOPHODGAA-OAQYLSRUSA-N 352.482 2.857 0 50 FFAA O=C(NCc1cccnc1)[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 179465598 OIXNLMMGUYQGDC-IBGZPJMESA-N 370.412 2.765 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239426035 VQDUNHPSQQLHTQ-OIXHTRDQSA-N 370.836 2.640 0 50 FFAA COC(=O)c1cc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc(C(=O)OC)c1 95523768 HSRRSSJBFLLIEU-BETUJISGSA-N 358.394 2.690 0 50 FFAA NC(=O)CCN(CCc1ccccc1)C(=O)c1cnc2c(c1)CCCC2 97674295 FNGSCPQUSPLZOJ-UHFFFAOYSA-N 351.450 2.521 0 50 FFAA Cc1cccc2[nH]c(CNC(=O)C3CCN(C(=O)C4CCCC4)CC3)nc12 95392155 TVYMIELFDOZXPX-UHFFFAOYSA-N 368.481 2.916 0 50 FFAA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCOc3c(F)cccc32)c1 179920076 GEWXLWOCNDHDLW-QGZVFWFLSA-N 372.396 2.594 0 50 FFAA CCCCOCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 95355856 WGHMQHIGYQYVMU-GOSISDBHSA-N 358.482 2.810 0 50 FFAA Cc1sc(CCN2CCCC2=O)nc1-c1ccc2c(c1)CC(=O)N2C 162433313 YUGCCBHOKDRHOJ-UHFFFAOYSA-N 355.463 2.802 0 50 FFAA C[C@@H](CC(=O)Nc1ccc(OCc2nccn2C)cc1)C1CCNCC1 237373681 XYEMUJFPRTUTTJ-HNNXBMFYSA-N 356.470 2.963 0 50 FFAA CCn1ccnc1CN1CCC2(CC1)c1nc[nH]c1CCN2CC=C(C)C 97698907 FMOJLRCPHRLJOE-UHFFFAOYSA-N 368.529 2.942 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95517363 KOIPKZOGJGGCBL-AWEZNQCLSA-N 355.467 2.746 0 50 FFAA COc1nc2c(cc1C(=O)N[C@H](c1nc(C3CC3)no1)C(C)C)CCC2 91858735 PEFWGFLEGLLCOU-HNNXBMFYSA-N 356.426 2.966 0 50 FFAA CC1(C)CN(CC(F)(F)F)CCN1C(=O)Cc1c[nH]c2ncccc12 180952796 VDURGXHEBXTLKV-UHFFFAOYSA-N 354.376 2.591 0 50 FFAA O=C(c1cncc(NC[C@@H]2COc3ccccc3C2)n1)N1CCCCC1 91690587 BWTFPFBMPBDMQY-OAHLLOKOSA-N 352.438 2.766 0 50 FFAA O=C(c1ccncc1F)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95507670 OWTUXDRCJVSXQQ-HNNXBMFYSA-N 365.412 2.880 0 50 FFAA O=C1CC2(CCN([C@@H]3CCCNC3)CC2)CN1C/C=C/c1ccccc1 95376010 JHRGEZLNGVEXRH-MUPIXQSSSA-N 353.510 2.766 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)NCc1coc(-c2ccccc2)n1 244673874 HXEJFDLUSSILRI-UHFFFAOYSA-N 370.430 2.822 0 50 FFAA C[C@H](NC(=O)[C@H]1CC[C@H](N)C1)c1cc2c(cc1Br)OCCO2 299739440 OJVDCXZWIZJCLM-DCAQKATOSA-N 369.259 2.525 0 50 FFAA COCCC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 534580309 CICNVLABAUTTHL-HNNXBMFYSA-N 361.442 2.855 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 299785424 ZGNIMRBEEDQMFZ-QGZVFWFLSA-N 372.425 2.900 0 50 FFAA CCc1noc(CN(CC)C(=O)c2ccc(-c3cc(C)nnc3O)cc2)n1 584896007 RPMCKMJZVSMJGS-UHFFFAOYSA-N 367.409 2.765 0 50 FFAA CCOc1cc(C(=O)N2CCc3ccccc3C2)ccc1OCC(=O)O 268875374 BEKXMDLNPXMYQM-UHFFFAOYSA-N 355.390 2.747 0 50 FFAA Cc1cc(C)cc([C@@H](N)C(=O)N[C@@H](CC(N)=O)c2ccc(Cl)cc2)c1 1875287433 KJDFVHTYZFQBSP-FUHWJXTLSA-N 359.857 2.690 0 50 FFAA Cc1cnncc1NC(=O)N1C[C@H](C)C(NC(=O)OC(C)(C)C)[C@@H](C)C1 1875295962 CSBHHAWFWSWGTN-STQMWFEESA-N 363.462 2.798 0 50 FFAA O=C(O)COc1ccc(CNC[C@@H](CO)Cc2ccc(Cl)cc2)cc1 1875270643 ZSTWADMGWVRWAW-INIZCTEOSA-N 363.841 2.744 0 50 FFAA CC1(C)OCC[C@H]1n1nc(-c2nccs2)nc1[C@H]1CCc2c[nH]nc21 1875348779 CHSGIWFPWOYAQN-NWDGAFQWSA-N 356.455 2.943 0 50 FFAA C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CCC2 1875310348 MYYLSWFTWFVRKC-LIRRHRJNSA-N 352.434 2.856 0 50 FFAA Cc1cc(N2CCN(C(=O)C3CC=CC3)CC2)nc(-c2ccccc2O)n1 952984388 KYMWZNSDDVGOBJ-UHFFFAOYSA-N 364.449 2.772 0 50 FFAA CCn1c(NCc2n[nH]c3c2CCCCC3)nc2cc(C(=O)O)cnc21 1506416375 FPRHSKAXGVHQPG-UHFFFAOYSA-N 354.414 2.754 0 50 FFAA CCN1CCO[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 886062788 DCMQNSHVAQLNRU-IRXDYDNUSA-N 359.405 2.574 0 50 FFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 272292564 ZOGGUYPHIKJXDB-KURKYZTESA-N 372.371 2.958 0 50 FFAA Cn1ccnc1CN(Cc1cnn(C(C)(C)C)c1)[C@@H]1CC12CCNCC2 275584481 GZNFGNMTIPXOTI-QGZVFWFLSA-N 356.518 2.516 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1oc2c(c1C)C(=O)CCC2 276835214 YJIHUDPRFKNSLT-ORAYPTAESA-N 371.437 2.831 0 50 FFAA O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 170678169 OFZWPWRJAKSZJR-UBHSHLNASA-N 357.376 2.516 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC[C@H]1CCCN1C 1506411616 RQMJXOROEJVXBB-CYBMUJFWSA-N 360.907 2.810 0 50 FFAA CO[C@H](C)c1nnc(NC(=O)CCCc2nc(-c3cccnc3)no2)s1 1506398752 XATFYPNJDNVBRN-SNVBAGLBSA-N 374.426 2.652 0 50 FFAA O=C(c1cccnc1)N1CCC(NCCCn2ncc3ccccc32)CC1 1506406223 FKFLWIPYNQYHBG-UHFFFAOYSA-N 363.465 2.716 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]2O)n[nH]1 1529147184 VRECJDMDMPXELD-BEFAXECRSA-N 371.872 2.593 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H](N)C2CCCCC2)CC1 1704302252 FUAZAKKJFMJPRG-FQEVSTJZSA-N 372.509 2.993 0 50 FFAA CC[C@@H](C)Oc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC 1149233 MSLTUFNTPJJNDR-JMUHATKESA-N 369.215 2.815 0 50 FFAA O=C(O)[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)CC12CCOCC2 1800414349 OFRKQPLANHKBMJ-CQSZACIVSA-N 359.344 2.898 0 50 FFAA Cc1cc(=O)n([C@@H](C)C(=O)N2CCCC2)c2c1c(C)nn2-c1ccccc1 12001094 QQPRMDMECJMASV-INIZCTEOSA-N 364.449 2.987 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1C 12003747 CFBSABQYXBQHPJ-AWEZNQCLSA-N 372.446 2.868 0 50 FFAA CCOC(=O)c1ccc(CN2C(=O)CC[C@@H]2CCNCc2cccnc2)o1 12167112 DMQUJFPXHPRZJH-MRXNPFEDSA-N 371.437 2.522 0 50 FFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCCCCC2)CC1 12432242 HULSNOBPOZSKQC-UHFFFAOYSA-N 374.481 2.719 0 50 FFAA O=C(c1cccnc1)N(Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCCO1 13813951 RDBUXVRDUJERHU-SFHVURJKSA-N 363.417 2.745 0 50 FFAA CN(Cc1ccco1)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 14750478 VTWNLCVRRVOTLC-OAHLLOKOSA-N 356.470 2.629 0 50 FFAA COC[C@H]1CCCCN1c1ccc(C(=O)NCCCc2ccccn2)cn1 15075571 DGMMEVPBCPBCMX-LJQANCHMSA-N 368.481 2.845 0 50 FFAA CC(C)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 15075653 SNDUWRQLBKHODE-GOSISDBHSA-N 358.530 2.530 0 50 FFAA CCc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1S(N)(=O)=O 16648938 PSCQKKIZIYORJR-UHFFFAOYSA-N 360.483 2.734 0 50 FFAA COc1ccc(-c2cc3n(n2)[C@H](NCc2cccs2)CNC3=O)cc1 169754451 WZTSUDCCBLPIRP-KRWDZBQOSA-N 354.435 2.652 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1C 169779842 ATQJJITVEGMXTF-UHFFFAOYSA-N 364.449 2.970 0 50 FFAA Cc1cc(C(=O)N2CCOC3(CCS(=N)(=O)CC3)C2)c2ccccc2n1 1857527952 KOTAFVXLSKCOPT-UHFFFAOYSA-N 373.478 2.595 0 50 FFAA CN(CCn1cnc2ccccc21)Cc1cnc(NC[C@@H]2CCCO2)nc1 1857676081 OGMBXSMRPOEJDY-KRWDZBQOSA-N 366.469 2.549 0 50 FFAA CCOCCNC(=O)C[C@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857700678 FLZVDHOOCTVKCU-CQSZACIVSA-N 361.442 2.596 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857708465 VOYDDSFEFUGWOZ-QCBUCWTNSA-N 355.390 2.684 0 50 FFAA COc1cccc2c1OC[C@@H](Cn1ccnc1-c1cccn(C)c1=O)C2 1857733746 WXJSBUCANPQBBL-CQSZACIVSA-N 351.406 2.509 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 237955598 LYBIBKRTIZCOSQ-NSHDSACASA-N 356.216 2.541 0 50 FFAA Cc1nc(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)sc1C 152178082 ZVMHQOXIYHHUKP-UHFFFAOYSA-N 365.524 2.663 0 50 FFAA Cc1c(C(=O)O)sc2nc(CN(C)C)nc(N3CCC(F)CC3)c12 906148527 JQZXIJOMDRCGQQ-UHFFFAOYSA-N 352.435 2.698 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@H](NCCc3ccccc3)C2=O)cc1 1814359 KYGCCJRAHIGYSX-IBGZPJMESA-N 352.434 2.940 0 50 FFAA N[C@H](CCNC(=O)N[C@H]1CCO[C@H](c2cccnc2)C1)Cc1ccccc1 2325761974 SQHOTIWMIWCKFX-AABGKKOBSA-N 368.481 2.561 0 50 FFAA C[C@H](CC1CCNCC1)NC(=O)CCCN1C(=O)CCc2ccccc21 2325774916 GGKHDHXCVXRFIM-MRXNPFEDSA-N 357.498 2.640 0 50 FFAA Cc1cc(Br)cn2c(CN[C@H](CO)Cc3ccoc3)cnc12 2325794913 WLWLABIMZCWKAC-AWEZNQCLSA-N 364.243 2.691 0 50 FFAA Cc1ncn(CCN=c2ccnc(-c3cncc(Br)c3)[nH]2)c1C 2325807273 NCQQTSLKFJHQCI-UHFFFAOYSA-N 373.258 2.648 0 50 FFAA NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1175554 VRATUXVOPUNSAV-UHFFFAOYSA-N 373.261 2.670 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)[C@H](O)c3ccccc3)C2)c2cccc(=O)n21 2356145042 YFHWHTSSCZDGFT-TWFHAPMSSA-N 366.461 2.869 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)NC[C@@H](O)c1cccc(O)n1 2356159095 LOGQWIUREZCILW-CQSZACIVSA-N 358.419 2.891 0 50 FFAA COc1ccc2c(=O)n(CC(=O)N3C[C@H]4CCC[C@@H](C4)C3)ccc2c1OC 102374300 BXQGYFSZNXOOEF-GJZGRUSLSA-N 370.449 2.667 0 50 FFAA CCN(C(=O)CCn1c(C)cc(C)nc1=O)[C@H](C)Cc1ccc(OC)cc1 55405080 MSVJCGWOHCBEFE-QGZVFWFLSA-N 371.481 2.739 0 50 FFAA CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 10448827 HJYKZJIXSOTZRC-UHFFFAOYSA-N 351.424 2.581 0 50 FFAA Cc1ocnc1C(=O)N1CCC(Cn2cc(-c3ccsc3)nn2)CC1 23310893 BVJAUTKTWWQZNK-UHFFFAOYSA-N 357.439 2.855 0 50 FFAA Cn1cc(CN2CCN(Cc3cccnc3)CC2)c(-c2ccccc2F)n1 20538358 QTIHSWASKCPAPC-UHFFFAOYSA-N 365.456 2.939 0 50 FFAA OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1Cc1cccs1 67446954 ZEEIDUASHOEYHT-HNNXBMFYSA-N 374.535 2.822 0 50 FFAA CN(C)Cc1nnc(SCC(=O)O)n1-c1ccccc1C(F)(F)F 67981629 NXVRBBMQJPXIKO-UHFFFAOYSA-N 360.361 2.524 0 50 FFAA Cc1nc(C(C)C)cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 65417659 QJGIAPVURYQWBV-UHFFFAOYSA-N 354.454 2.959 0 50 FFAA NC(=O)c1ccnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1 67954984 NCXUTGUOSOKWQW-OAQYLSRUSA-N 353.466 2.782 0 50 FFAA CC(C)CCNc1nc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cs1 409412981 UXQXLDLTGCHBDZ-KBXCAEBGSA-N 351.516 3.368 0 50 FFAA biogenic Cc1ccccc1-c1cc(O)c2c(c1)CN(CC(=O)NC1CC1)CCO2 67982659 QQRWPIFLJQELPI-UHFFFAOYSA-N 352.434 2.841 0 50 FFAA COc1cccc2c1CC[C@H]2NC(=O)c1cnn(C2CCOCC2)c1C 120019944 MUVAJXLAIIGIHB-GOSISDBHSA-N 355.438 2.969 0 50 FFAA CCN1CCC(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC1 65396592 DCUALAOSGQJJAU-UHFFFAOYSA-N 356.470 2.598 0 50 FFAA CC(=O)N1CCc2cc(C(=O)NC[C@@H](O)c3cc(C)cc(C)c3)ccc21 282625703 AMNIUSCVOOCVKZ-HXUWFJFHSA-N 352.434 2.676 0 50 FFAA Cc1nnc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)s1 2790233 JLIZYXOKSZLZCP-LURJTMIESA-N 358.265 2.697 0 50 FFAA Cn1c(S)nnc1-c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 3041803 GLPBRURHADWSPB-UHFFFAOYSA-N 366.368 3.000 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1ccc(CN(C)C)cc1 72156126 PZCCZHCKKPNKPD-HXUWFJFHSA-N 369.513 2.956 0 50 FFAA O=C(CCN1CCCCCC1=O)NCC1(c2ccccc2)CCOCC1 215743122 JVEKSDBTSRVEPS-UHFFFAOYSA-N 358.482 2.644 0 50 FFAA CC(C)(C)c1cnc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)o1 328636079 NVXGJAYWGHZRFQ-GFCCVEGCSA-N 359.430 2.584 0 50 FFAA O=c1c2ccc(C(F)(F)F)cc2ncn1CCCN1CCCC[C@@H]1CO 32593120 IYWFXZFKEMVVCI-CQSZACIVSA-N 369.387 2.652 0 50 FFAA O=C1CN(C[C@@H]2CCCN3CCCC[C@H]23)CCN1CCc1ccccc1 72148639 CWGCBXAELJALHY-LEWJYISDSA-N 355.526 2.638 0 50 FFAA COCCN1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC 77408045 JWJPOJFGRRODRD-HKUYNNGSSA-N 352.434 2.798 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3cc(C)nn3CC)CC2)OC1=O 77457101 XYHKUTRMCUUCDX-OAHLLOKOSA-N 362.474 2.827 0 50 FFAA Cn1cc(Br)cc(NC(=O)NC[C@]2(C)CCCS2)c1=O 155066310 IIJQPTMPIPJVJZ-ZDUSSCGKSA-N 360.277 2.555 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccccc3)nn2)C[C@H]1C(=O)O 71257083 ADNVHPPFKNQHHE-ZFWWWQNUSA-N 358.398 2.580 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CC(=O)OC12CCCC2 77485844 VPSYIGXQTYBAKL-KRWDZBQOSA-N 353.422 2.707 0 50 FFAA CCn1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 72119453 DUNYQICYTJOPFJ-MISYRCLQSA-N 350.466 2.605 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 72169727 NYENWCLIRCDHAF-IBGZPJMESA-N 370.472 2.889 0 50 FFAA CC(C)C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(=O)O 236786114 BUOWFWZXEOBRIX-SJORKVTESA-N 350.434 2.796 0 50 FFAA CC(C)(CN1CCC([C@H](O)CCc2ccccc2)CC1)N1CCOCC1 215909669 KDHKZPGAHBRSRZ-OAQYLSRUSA-N 360.542 2.803 0 50 FFAA O=C(NCc1ccccn1)C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 215926453 WTIDRUXZCJODEO-HXUWFJFHSA-N 363.461 2.666 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 237533902 IZZRKIWXQGZWGI-JVQPOWMJSA-N 359.289 2.561 0 50 FFAA C[C@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@@H](C)O1 237623065 KPEGKQMEQPOXLY-CALCHBBNSA-N 367.493 2.685 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC[C@H]1c1ccc(F)cc1 77340778 PXALZMFDXAZAAQ-KRWDZBQOSA-N 367.380 2.723 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)c1 77353456 YVVXUWZNFVCCLP-CQSZACIVSA-N 368.433 2.511 0 50 FFAA CCO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCNCC2 72142088 KHDCKBUXRFAJGR-MOPGFXCFSA-N 351.450 2.593 0 50 FFAA CN1CCN(c2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)CC1 219164815 CNNPCJMXVMZGNX-UHFFFAOYSA-N 350.466 2.638 0 50 FFAA CC(=O)c1ccc(NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)nc1 131326471 KFTDRBXFXUKLJY-QGZVFWFLSA-N 366.483 2.995 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(C)c2C(N)=O)[C@@H](C(=O)O)C1 17072718 CXJGDABQUUDLPG-NEPJUHHUSA-N 350.440 2.850 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cc2n(n1)CCCNC2 82091500 XYWJMRAJEZTTHQ-UHFFFAOYSA-N 360.461 2.902 0 50 FFAA Cc1cc(F)cc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1 82096512 ALUDJQYMSQEIEE-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA O=C(NCc1cc2n(n1)CCCNC2)C1(c2ccc(Cl)cc2)CCC1 82160388 RLASDGVGHRBQPG-UHFFFAOYSA-N 358.873 2.768 0 50 FFAA OCCCNc1nc(NCc2ccc3c(c2)OCO3)nc2ccccc12 41150457 SROPNCHKZDCBGM-UHFFFAOYSA-N 352.394 2.765 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3cccc(F)c3F)C2)CCC1=O 82099902 OTXJRRZNXICKQC-LJQANCHMSA-N 352.425 2.816 0 50 FFAA CSCCN1CCC(NC(=O)c2ccc(-c3ccc(N)nc3)cc2)CC1 426505961 XGKHGYHJCUOJOB-UHFFFAOYSA-N 370.522 2.888 0 50 FFAA Cn1cc(-c2ccc(C(=O)N3CCN(C4CCSCC4)CC3)cc2)cn1 426414760 SVWQSFKTGQRBQL-UHFFFAOYSA-N 370.522 2.741 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)c1cnc(C2CC2)[nH]c1=O 97679887 RXNYBMSCIQZXKJ-UHFFFAOYSA-N 361.829 2.590 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)N[C@H](Cn3ccnc3)c3ccccc3)C2)n1 426487476 PUJKIUSXROJHKE-LJQANCHMSA-N 364.453 2.704 0 50 FFAA O=C(NCCN1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 426487888 GNPIGQVSOVYWIS-UHFFFAOYSA-N 365.905 2.819 0 50 FFAA COCCc1nc(-c2ccc3c(c2)OCC(=O)N3)n(Cc2ccccc2)n1 96150322 WSSUZACZXZOQTI-UHFFFAOYSA-N 364.405 2.513 0 50 FFAA CCCCc1nc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c[nH]1 23153386 ZGRUDWLMTOMWQT-SFHVURJKSA-N 360.502 2.723 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)CCc3n[nH]c4c3CCCC4)CC2)n1 96162389 RATBSWGWZWTDFA-UHFFFAOYSA-N 355.486 2.631 0 50 FFAA CNC(=O)[C@H]1CC[C@@](C)(C(=O)N2CC(Oc3ccccc3C)C2)C1(C)C 91412171 YWXHZPSKXIAHDE-IERDGZPVSA-N 358.482 2.773 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)o1 91664761 AUTCWEUSELBMLD-INIZCTEOSA-N 366.421 2.948 0 50 FFAA CC[C@@H]1CN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)CCO1 97655517 NCNUHLXTMHEUKW-GOSISDBHSA-N 356.422 2.823 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1cccc(C)c1C 239274941 AYZQVILEIMQFPH-WDYSCTGBSA-N 364.445 2.667 0 50 FFAA Cc1ncc(C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c(=O)[nH]1 92028443 BJCXSQHOYFAGPU-NRFANRHFSA-N 369.465 2.725 0 50 FFAA Cc1c([C@H](C)NC(=O)Cn2cc3ccccc3n2)cnn1-c1ccccn1 91636941 LJVPMIOGRDVJSO-AWEZNQCLSA-N 360.421 2.803 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)NCC3(CO)CCC3)c2C1 182298548 CHSNZKWOLAYDSX-UHFFFAOYSA-N 353.466 2.505 0 50 FFAA COc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(OC)c(C(=O)O)c2)c1 299752559 UOQSGCROFATVFO-JKSUJKDBSA-N 355.390 2.822 0 50 FFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 252427831 HWTUKDWYHZKAKP-LDDIKCJXSA-N 371.746 2.912 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)NCCN2CCC(CO)CC2)C1 534638501 PVEXBMLFHMSFRA-IBGZPJMESA-N 359.514 2.588 0 50 FFAA C[C@@H](CNC(=O)N(CCc1ccccc1)C1CCN(C)CC1)n1ccnc1 534587897 RHSJCGKMMGAHQE-SFHVURJKSA-N 369.513 2.793 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2)ccc1F 299769714 TZFHXAXKLAYIST-OAQYLSRUSA-N 356.441 2.940 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299759081 NHXBVVUNIOLANE-UHFFFAOYSA-N 356.447 2.822 0 50 FFAA Cc1cc(CN2CC3(C2)CN(C(=O)c2cccc(F)c2)CCO3)cs1 952893995 LFJJPLXUTFFNOK-UHFFFAOYSA-N 360.454 2.923 0 50 FFAA C[C@H](NC(=O)CCC(=O)N1CCC(c2cc(O)no2)CC1)c1ccccc1 1875296369 SLPBSECYFQHPSR-AWEZNQCLSA-N 371.437 2.744 0 50 FFAA O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@](O)(C2CC2)C1 1875268026 SVXPHKCIKMRFBW-LJQANCHMSA-N 362.857 2.844 0 50 FFAA CC(C)c1cc(N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875267565 LOQXUQYQVKSPPN-YPMHNXCESA-N 373.423 2.559 0 50 FFAA COC(=O)/C=C/CCNC(=O)[C@@H]1CC[C@H]1n1cc(-c2ccccc2)cn1 1875313999 CCOFBGRZSDQETI-JRFZXPOESA-N 353.422 2.737 0 50 FFAA Cn1nccc1C(=O)N(CCO)CCCOc1ccc(Cl)cc1Cl 952962381 AZYUJYDOFZTWEK-UHFFFAOYSA-N 372.252 2.631 0 50 FFAA Cc1nc2cc(O)nn2c(C)c1CC(=O)N[C@H]1CC=CC[C@@H]1C(F)(F)F 888093013 XKZGCTNKNGWLCS-STQMWFEESA-N 368.359 2.608 0 50 FFAA Cc1ccc([C@H]2CN(Cc3cccc(OCCO)c3)C[C@@H]2N(C)C)cc1 1565509685 SSQCARSRKORDTG-YADHBBJMSA-N 354.494 2.896 0 50 FFAA O=C(C1CCC1)N1CC[C@@]2(O)CCN(Cc3ccc(F)cc3F)C[C@H]2C1 1565510273 VJPCFOHDGVGJEG-JXFKEZNVSA-N 364.436 2.550 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(OC)c2c(c1)OCCO2 275580163 OZNAZTWSQIRICI-HNAYVOBHSA-N 373.453 2.550 0 50 FFAA CCc1noc(C2CCC(N[C@@H]3CCO[C@H](c4cncn4C)C3)CC2)n1 275604969 QQPWQZANQSBCMO-BOXZVXIZSA-N 359.474 2.902 0 50 FFAA COc1ccc2nc(NC(=O)[C@H]3COCCN3CC3CCC3)sc2c1 186991430 QNJIVDUTZZTCQY-OAHLLOKOSA-N 361.467 2.744 0 50 FFAA FC(F)(F)Cn1nnnc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 190953444 BTWYSFMIOUHYMA-LLVKDONJSA-N 366.347 2.756 0 50 FFAA CCc1cccc2c(CC(=O)N3C[C@H](OC)C[C@@H]3c3nnc(C)o3)c[nH]c12 779854081 GJDWFWMZNUYOKQ-NVXWUHKLSA-N 368.437 2.953 0 50 FFAA CCc1nn(C)c(NC(=O)[C@@H](CC)N2Cc3ccccc3C2=O)c1CC 1506406573 FSKQPQUNKHYFPE-QGZVFWFLSA-N 354.454 2.918 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC([C@H](O)c2cccs2)CC1 1529094659 JEIDBYVXOBYRDE-FQEVSTJZSA-N 374.506 2.819 0 50 FFAA Cc1ncc(CN(CCO)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)[nH]1 1704311379 HBXWKRSWBQDQLC-UHFFFAOYSA-N 354.454 2.688 0 50 FFAA CCc1nnc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)o1 222294861 YDIVACJEXDZXSP-ZBFHGGJFSA-N 374.510 2.749 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(CCS(=O)(=O)c3ccccc3)C1)CC2 1704341344 SJVZYBGYTNEQGU-HXUWFJFHSA-N 371.506 2.539 0 50 FFAA CC(=O)c1ccc(N2CCCN(C(=O)Cc3ccccc3C)CC2)nc1 1772817808 XUMYBXYIVXFLPW-UHFFFAOYSA-N 351.450 2.874 0 50 FFAA CCOC(=O)C1=NN[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 5101533 KZBULHORPYLMSU-IRXDYDNUSA-N 352.390 2.553 0 50 FFAA CCc1csc(CNC(=O)c2ccc(NC[C@H]3CCCCN3C)nc2)n1 11879309 YJGCLYJHKBJWTA-MRXNPFEDSA-N 373.526 2.927 0 50 FFAA c1ccc(-c2nc3c(c(N4CCN(C5CCOCC5)CC4)n2)CCC3)cc1 12590250 QDTKANUVUQDOAY-UHFFFAOYSA-N 364.493 2.933 0 50 FFAA COc1ccccc1-n1nnc(C(=O)Nc2cccc([C@@H](C)O)c2)c1C 16651355 WXUVPNAXUHCVKQ-CYBMUJFWSA-N 352.394 2.890 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCCn1cccn1)CC2 1857711752 KTJLXMWREUJEPM-UHFFFAOYSA-N 363.465 2.691 0 50 FFAA COCc1c(C(=O)Nc2ccn(CC(=O)O)n2)sc2cccc(F)c12 122797056 RMBBBOFNZIUELG-UHFFFAOYSA-N 363.370 2.720 0 50 FFAA C[C@H]1OCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 331709949 BRGQRPNBUDJIFK-BXKDBHETSA-N 366.215 2.540 0 50 FFAA Cc1ccc(C)c(Oc2ccc(CNC(=O)C[C@H]3CCC(=O)N3)cn2)c1 822144397 DLAMDJZYACIXIK-MRXNPFEDSA-N 353.422 2.776 0 50 FFAA Cc1ccnc2c1CCN2C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 2325751679 GHILHGHWSSLLFX-UHFFFAOYSA-N 358.467 2.963 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(O)n3)c2)C1 2325888788 ZWXKFDTZZZPGDN-HNNXBMFYSA-N 366.421 2.521 0 50 FFAA COc1cccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1OC 805070 YMOKJTDZIVKLGT-ZDUSSCGKSA-N 366.464 2.876 0 50 FFAA COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 1072361 DVEXQJOLPQHNEJ-CYBMUJFWSA-N 356.353 2.604 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2ccc3c(c2)OCCO3)CC[C@H]1O 2356138341 JSXQBMIHVAMGIP-UYAOXDASSA-N 363.454 2.532 0 50 FFAA C[C@]1(O)CC2(CCN(c3ccnc4cc(Cl)ccc34)CC2)OC[C@@H]1O 2356158865 CFUTZZMZNCEHOP-ROUUACIJSA-N 362.857 2.759 0 50 FFAA COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 2982266 GSEHXDVCCMVKJV-UHFFFAOYSA-N 371.462 2.659 0 50 FFAA O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4858637 WVYOMKWPPCQJDQ-CQSZACIVSA-N 362.426 2.865 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1 6741074 KVZDBJRDXYZGOE-TUNPWDSISA-N 370.493 2.776 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1C[C@H](O)[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 225743113 CKLQSLABJJEFMB-WDMOLILDSA-N 371.836 2.938 0 50 FFAA Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)c2cccc(C)c2n1 55244506 CMEVLLVSJUPRFD-SFHVURJKSA-N 364.401 2.983 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc2ncccc12 247828677 KIBFUNHOPADHJD-ZMYBRWDISA-N 367.449 2.979 0 50 FFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)CC(=O)Nc1ccc(C)cc1 65372144 HYJFBHTYDMTNFY-SFHVURJKSA-N 355.438 2.518 0 50 FFAA COC(=O)c1cc2n(n1)CCCN(C(=O)C[C@@H]1CCc3ccccc31)C2 65397608 RHXBZOJTMICSLJ-HNNXBMFYSA-N 353.422 2.522 0 50 FFAA Cc1nc2ncccn2c1C(=O)N(C[C@H]1COc2ccccc2O1)C(C)C 65398026 PGZVNNUDUAQMGK-HNNXBMFYSA-N 366.421 2.728 0 50 FFAA Cc1cc(C(=O)NCc2cccnc2-n2ccnc2)cc2sc(N)nc12 67758986 CNOWMGAOZAWSQO-UHFFFAOYSA-N 364.434 2.698 0 50 FFAA Cc1cnccc1CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 425738831 IDZDKBXNECDCEZ-VQTJNVASSA-N 350.466 2.806 0 50 FFAA CN(C)CC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67820820 RGMCRFIDSSZGMZ-UHFFFAOYSA-N 360.841 2.995 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cnc2c(c1)nnn2C 72468437 FBZVJDWJXFHIKJ-UHFFFAOYSA-N 364.434 2.759 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cn1 331937884 PHJOYFVAOOIYEC-RNJTYBCJSA-N 374.485 2.858 0 50 FFAA C[C@H]1CCCN1S(=O)(=O)N(Cc1ccccc1)CC1(O)CCCC1 329983837 PXTNUGFPSDESRE-INIZCTEOSA-N 352.500 2.523 0 50 FFAA CCCN(CCc1ccccn1)C(=O)c1cc(Cn2cc(C)cn2)on1 124729042 XJAVGTGGXFDYMI-UHFFFAOYSA-N 353.426 2.718 0 50 FFAA Cc1cnn(C)c1S(=O)(=O)N1CCCc2c1cccc2C(F)(F)F 332001620 PIXYNDJFRJEPDS-UHFFFAOYSA-N 359.373 2.889 0 50 FFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1-n1cncn1 72425904 NPTXKDQWCDVNRT-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(CC3)CN(C)C(=O)O4)[nH]n2)s1 72164729 YUBGCIIGOCQELI-GOSISDBHSA-N 374.466 2.894 0 50 FFAA CN(C[C@H]1CCCCO1)c1ncnc2c1CCN(Cc1ccoc1)CC2 72433725 KFJNJSXPDYUYDI-QGZVFWFLSA-N 356.470 2.676 0 50 FFAA CCOc1ccc(CCNC(=O)[C@H]2CCn3ccnc3C2)cc1OCC 155777928 WDIZDHZUKAWUSG-INIZCTEOSA-N 357.454 2.602 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N(C)C1CCNCC1 237096280 KJZHUHQDQQFCOL-CMDGGOBGSA-N 356.445 2.852 0 50 FFAA COc1cccc(C[C@@H]2CN(Cc3noc(-c4ccco4)n3)CCO2)c1 71736410 CVLPOTNWMJUTOA-MRXNPFEDSA-N 355.394 2.782 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 237024294 YFHASXORNJPLPH-KRWDZBQOSA-N 366.417 2.934 0 50 FFAA CC1CCN(C(=O)NC[C@H](NC(=O)N2CCC(C)CC2)C2CC2)CC1 333445813 KUDACHPPFYVDOC-KRWDZBQOSA-N 350.507 2.648 0 50 FFAA O=C(Cn1cccnc1=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 378394176 JINUQAGOOPHYHQ-UHFFFAOYSA-N 365.355 2.668 0 50 FFAA COc1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)sc(C)c1Br 237277382 YZSFIPOQLJBLIY-CYBMUJFWSA-N 362.245 2.764 0 50 FFAA c1cc(N2CCCCC2)ncc1-c1noc(-c2cc([C@@H]3CCNC3)n[nH]2)n1 261766757 MUVQZAVTBPYQAO-CYBMUJFWSA-N 365.441 2.589 0 50 FFAA O=C(Nc1ccc2c(c1F)CCNC2)c1ccc(CN2CCCC2=O)cc1 261707578 KFGLJLDVYITEBE-UHFFFAOYSA-N 367.424 2.846 0 50 FFAA Cc1cccnc1[C@H](C)NC(=O)c1cc(-c2c(C)nn(C)c2C)nn1C 71738704 FOXSJDMQKLBNAL-ZDUSSCGKSA-N 352.442 2.632 0 50 FFAA O=C1CCN(S(=O)(=O)Cc2cccc(F)c2)c2ccc(F)cc2N1 173902213 YGGWXAYUASQWLG-UHFFFAOYSA-N 352.362 2.643 0 50 FFAA COc1ccccc1CN(C)c1nccc(-c2cc(C(=O)O)ccn2)n1 71762743 QWBWTBZAOSCZHC-UHFFFAOYSA-N 350.378 2.882 0 50 FFAA CN1CC2(CCNCC2)C[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 72454685 PNIYJOKZTPBDQI-SFHVURJKSA-N 361.917 2.905 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1CC[C@H](N2CCN(C)CC2)C1 215777121 BMWOHRCPEFVJKG-HNNXBMFYSA-N 358.313 2.824 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)[C@@H]3NCCc4[nH]cnc43)CCCC2)c1 72480944 GMSIUTUPXBTBCK-LJQANCHMSA-N 352.482 2.842 0 50 FFAA Cn1ncc2c(N3CCO[C@H](C(F)(F)F)C3)nc(C3CCCC3)nc21 72162449 YVLMITZWJRYQCG-LBPRGKRZSA-N 355.364 2.788 0 50 FFAA C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 286946509 FIPIUIHHCDZXOE-PWSUYJOCSA-N 367.291 2.748 0 50 FFAA C[C@@H](Cc1cnccn1)N(C)C(=O)C1(c2ccccc2)CCN(C)CC1 220613551 UVTGEZMJYMPNHU-KRWDZBQOSA-N 352.482 2.530 0 50 FFAA O=C1Nc2ncc(Br)cc2C1(Br)Br 40442636 PBCSUZHEJACRDJ-UHFFFAOYSA-N 370.826 2.739 0 50 FFAA Cc1csc(SCC(=O)N2CCCN(Cc3ccccn3)CC2)n1 220306680 KGQYTSIYMTXWMO-UHFFFAOYSA-N 362.524 2.673 0 50 FFAA CCc1nnc(CN(C)C(=O)c2cccc(-c3ccc(OC)nc3)c2)o1 426444571 LVBFRYZWYCWORH-UHFFFAOYSA-N 352.394 2.975 0 50 FFAA Cc1nccc(C2CCN(C(=O)NC[C@@H]3CCCN(C(C)C)C3)CC2)n1 426510318 YQUYZXGZZSPRDB-KRWDZBQOSA-N 359.518 2.794 0 50 FFAA Cc1cc(OC[C@H](O)CNC(=O)c2cc(C(C)C)nn2C)ccc1Cl 82108192 XZUSREVZZNYPLU-CYBMUJFWSA-N 365.861 2.675 0 50 FFAA O=C1COc2cc(C(=O)N3CCC([C@H](O)c4cccs4)CC3)ccc2N1 97413330 GSYJJCPSKCDACO-SFHVURJKSA-N 372.446 2.665 0 50 FFAA CN(C)Cc1csc(CN2CCC3(CC2)c2[nH]cnc2CCN3C)c1 91493417 DTBDSINJEWPYFX-UHFFFAOYSA-N 359.543 2.512 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)C1CC1 91725510 AJNJRXOJIHOBLD-HNNXBMFYSA-N 356.455 2.939 0 50 FFAA Cc1cc(C)n(Cc2ccc(NC(=O)N3C[C@@H]4CC[C@H]3CNC4)cc2)n1 97468583 MUECFGPRSJTFJZ-MJGOQNOKSA-N 353.470 2.764 0 50 FFAA Nc1nc2c(c(NCc3ccc(C(=O)N4CCCC4)cc3)n1)CCCC2 95367599 NKUPOQUMJNCXPV-UHFFFAOYSA-N 351.454 2.786 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc2nonc2c1 91663036 FIMFYNXQDBVMFC-CABCVRRESA-N 358.442 2.562 0 50 FFAA O=C([C@H]1CNCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91755621 JSYSSDJUXMSCPO-HXUWFJFHSA-N 350.462 2.584 0 50 FFAA CC[C@H](NC(=O)C1CCN(C(=O)c2ccncc2)CC1)c1cccnc1 244673656 HTHZHQOIRVEASC-SFHVURJKSA-N 352.438 2.596 0 50 FFAA O=C(CSc1ccc(Cl)cc1)NCc1nc(-c2ccncc2)n[nH]1 244601943 DUTSPOHFGBWFCY-UHFFFAOYSA-N 359.842 2.929 0 50 FFAA CC1(C)CC(NC(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)CC(C)(C)N1 534587747 CUEMLIQDDUZHLX-UHFFFAOYSA-N 353.470 2.595 0 50 FFAA NC(=O)C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 34194587 QIRPOVMESMPVKL-HXUWFJFHSA-N 374.440 2.897 0 50 FFAA biogenic Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)cc1N1CCNC1=O 299780193 KEYQOOAXUPVDPX-OAHLLOKOSA-N 365.433 2.506 0 50 FFAA Cc1noc(C)c1CN1CC[C@@H](Nc2nc3ccccc3s2)[C@H](O)C1 299802429 LVPZHCJXUOZWEK-GDBMZVCRSA-N 358.467 2.948 0 50 FFAA COc1ccc([C@H](O)C2CCN(c3nc4cnccc4n3C)CC2)cc1 865820737 CSAJFNPEVWNLOV-IBGZPJMESA-N 352.438 2.927 0 50 FFAA CCCn1nccc1S(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 670465570 MBUKDPLQUQWXRX-CQSZACIVSA-N 359.455 2.518 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N[C@H](c3ccccc3)[C@@H](N)C(C)C)c2n1 1875349283 SKACGCPCFIYXMY-ZWKOTPCHSA-N 351.454 2.801 0 50 FFAA CNC(=O)C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC2(F)F)C1)c1ccccc1 1875315957 OXLBYKLFNLFOAB-JYJNAYRXSA-N 365.424 2.941 0 50 FFAA C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)c2ccccc2CN)C1=O 1875315048 GEPOZELDBGQCBG-IFXJQAMLSA-N 369.440 2.766 0 50 FFAA Cc1cc(N2CCC(COCCO)CC2)nc(N(C)c2ccccc2)n1 1875307142 USWIMJQQICGHPP-UHFFFAOYSA-N 356.470 2.778 0 50 FFAA COc1cccc([C@H](C)C(=O)N[C@]2(C)CCN(C(=O)[C@H]3CC34CC4)C2)c1 1875407366 XVLMPSYARPJZFF-JNAXZKDPSA-N 356.466 2.706 0 50 FFAA N[C@@H](CCO)C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 1875404952 FFOCIKQDUSROMG-YJBOKZPZSA-N 371.868 2.779 0 50 FFAA COc1ccc2[nH]nc(C(=O)N3CCC(CO)(c4ccccc4)CC3)c2c1 1875283715 BUOQAFGFZRRLKS-UHFFFAOYSA-N 365.433 2.738 0 50 FFAA Nc1nc2c(c(C(=O)N3CCC[C@@H](C(=O)c4cccs4)C3)n1)CCCC2 952982824 RXGHSRLILPLGKE-GFCCVEGCSA-N 370.478 2.734 0 50 FFAA c1ccc(Cc2nnc3n2C[C@@H](N[C@H]2CCOC4(CCC4)C2)CC3)cc1 888102505 BUAYOYJIOMJYJN-ROUUACIJSA-N 352.482 2.875 0 50 FFAA COC[C@@H]1[C@H](NC(=O)c2ccc(-c3cccc(OC)c3)o2)[C@H]2CCO[C@@H]12 1074651238 YTPUQRUPAXPXBC-OHDICMOHSA-N 357.406 2.735 0 50 FFAA Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@]2(C)CCCC[C@H]2O)c1 170651962 IMOIPIBBUSACHP-BEFAXECRSA-N 374.510 2.600 0 50 FFAA O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCC[C@H]1CCO 170601408 CMADEFGWJNJSLR-MAUKXSAKSA-N 356.422 2.920 0 50 FFAA Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C)C2)no1 171429682 JLWJKJXNLZCOAD-ZDUSSCGKSA-N 369.874 2.983 0 50 FFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)N1CCN(CC(F)(F)F)CC1 172156408 INPJEDLSPISBNK-OAHLLOKOSA-N 370.419 2.545 0 50 FFAA CC(C)n1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cn1 187871801 LKUBARUJPBXSNP-UHFFFAOYSA-N 354.410 2.619 0 50 FFAA CN1CCC([C@H]2OCC[C@@H]2C(=O)NCc2ccc(Cl)cc2F)CC1 408473926 SMFSONXLNZMXEC-DOTOQJQBSA-N 354.853 2.842 0 50 FFAA CCCOc1c(CN2CCS(=O)(=O)C[C@H](C)C2)cccc1OCC 192068313 SXWOIHUBOIJAMO-OAHLLOKOSA-N 355.500 2.741 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCC4(CCC(=O)N4C)CC1)(C3)C2 1506397819 IMCCSOUNFFYAMB-CJXUKZFBSA-N 374.525 2.711 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(N(C)C)cc1)C2 220304269 NISJRPRXYICUGE-QUCCMNQESA-N 369.509 2.711 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 1529133215 GJOGQUCASUXISV-IAGOWNOFSA-N 370.474 2.849 0 50 FFAA Cc1cc(CC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cc(C)n1 1800414173 MJHIUZJRKVBGBQ-UHFFFAOYSA-N 364.449 2.666 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC1)OCC2 1704299613 OPIVTLRHKCFUNQ-CALCHBBNSA-N 359.466 2.637 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cn(C)nc3C)CC1)OCC2 1704297094 HFKRBWOTGOIWBE-UHFFFAOYSA-N 371.481 2.810 0 50 FFAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(F)cc1 11697781 NSKHQKBSUQKPFE-UHFFFAOYSA-N 352.373 2.596 0 50 FFAA COCC1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 11838777 CJGMFYHIQMEXNB-UHFFFAOYSA-N 360.443 2.549 0 50 FFAA COc1cc(OC)cc(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1 11933746 ZYHUXTZNRIRKBJ-HNNXBMFYSA-N 360.454 2.757 0 50 FFAA C=CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1sccc1C)CC2 12149404 GKNBUWAAIAWZAJ-HNNXBMFYSA-N 362.495 2.599 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)cc1 12432234 VOQOGTNDZUQJCP-GOSISDBHSA-N 352.434 2.659 0 50 FFAA Cc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12474179 BBXPODKEBFFHKN-GFCCVEGCSA-N 367.327 2.533 0 50 FFAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCc2sccc2C1 12759317 WZROULZGVZGDQM-UHFFFAOYSA-N 360.389 2.865 0 50 FFAA O[C@H](c1ccccc1)c1cn(C2CCN(C3CCSCC3)CC2)nn1 19745717 UAZBXJVOUBEWJT-LJQANCHMSA-N 358.511 2.892 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@]3(c3nnc(C4CC4)o3)C2)o1 1857531931 IIPMHDJYDGTNED-ORAYPTAESA-N 356.426 3.000 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)O1 1857672025 FDYJFAYQYUSISC-CABCVRRESA-N 373.453 2.764 0 50 FFAA CCc1ncc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cn1 1857676815 MFYBQVRBPJNHHH-UEXGIBASSA-N 351.450 2.637 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cncc(F)c1)CC2 1857700906 BJQKXAXDUHVAJZ-UHFFFAOYSA-N 350.397 2.862 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)CCc1nc3ccc(F)cc3[nH]1)CCC2 1857705074 RLMRHHWWDOMUFK-CQSZACIVSA-N 355.417 2.870 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3cccnc3)C[C@]23CC[C@H]1O3)C1CCCCC1 1857738773 YANGFBLFJOJFQM-GPQLQYNLSA-N 369.509 2.758 0 50 FFAA CCN1CC[C@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@H](C)C1 128653398 CNZNMZHJPXWGMB-AEFFLSMTSA-N 355.486 2.744 0 50 FFAA C[C@H](O)C[C@H]1COCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 152433032 BYADIMSDVXTALB-WDMOLILDSA-N 362.253 2.759 0 50 FFAA NC(=O)Nc1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 369206372 MZSJFONLJWZBOJ-INIZCTEOSA-N 358.829 2.617 0 50 FFAA Cc1nc(-c2ccc(NC(=O)c3cccc(C(N)=O)c3)cc2Cl)n[nH]1 378449888 OIQOQIJAKKVUOR-UHFFFAOYSA-N 355.785 2.785 0 50 FFAA C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@@H](c3cccs3)C2)NC1=O 162185053 RNBUURDFAUTLNQ-SMDDNHRTSA-N 358.419 2.681 0 50 FFAA CS(=O)(=O)CCc1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 904508040 FRHWTZOFDNJORO-UHFFFAOYSA-N 363.370 2.650 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 1133267 SWVJFMHQEFINAB-UHFFFAOYSA-N 373.459 2.613 0 50 FFAA NC(=O)c1ccc(C(=O)OCc2cc(Br)cnc2F)s1 2325824521 FJIZDEQGPNVOCL-UHFFFAOYSA-N 359.176 2.501 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2cc(C3CC3)on2)C1 2325867757 FMAQYZJCOLFKTF-OCVGTWLNSA-N 359.470 2.542 0 50 FFAA CCC(=O)Oc1ccc(C(=O)Nc2ccc(OCC(=O)OC)cc2)cc1 1109423 ZEXZGKDMIZTUIN-UHFFFAOYSA-N 357.362 2.806 0 50 FFAA O=c1cc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)[nH]c2ncnn12 102440005 YSZYCHAEDZCXTA-CQSZACIVSA-N 373.407 2.541 0 50 FFAA Cn1cc(-c2ccnc(N3CCC([C@H](O)Cc4ccccc4)CC3)n2)cn1 23232475 KREKTZTWBQKFCW-HXUWFJFHSA-N 363.465 2.697 0 50 FFAA CNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)C1 65405200 SGBSEJLDYSIHNK-KRWDZBQOSA-N 369.440 2.954 0 50 FFAA CCc1ccc(N(CCCC(=O)N2CCCCC2)S(C)(=O)=O)cc1 67613643 VHUMNAAXGUNBRJ-UHFFFAOYSA-N 352.500 2.808 0 50 FFAA Cc1ccc(-c2nc(CNC(=O)Cn3cccn3)[nH]c2-c2ccccn2)cc1 67967876 BFJLVDIYPHZRKS-UHFFFAOYSA-N 372.432 2.960 0 50 FFAA CC1=C(C(=O)NCc2cnc3c(c2)CCC3)[C@H](c2cccs2)NC(=O)N1 67724514 FJPNBUMRJZINBQ-KRWDZBQOSA-N 368.462 2.576 0 50 FFAA CN1CCc2ccc(NS(=O)(=O)c3cc(F)ccc3Cl)cc2C1=O 122845325 PQHNBTVSDAXFCL-UHFFFAOYSA-N 368.817 2.908 0 50 FFAA O=C(c1c(O)cccc1O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 436859437 LADZZNRUALZDNN-CQSZACIVSA-N 364.405 2.903 0 50 FFAA O=C(NC[C@H]1COc2ccccc2O1)c1cc(COc2ccccc2)[nH]n1 67540405 HUPXPJDOQRJLQZ-INIZCTEOSA-N 365.389 2.559 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67689349 WYKFUNQCSWCIIO-OAHLLOKOSA-N 372.444 2.694 0 50 FFAA COc1ccc(-c2noc(CCCC(=O)N3CC[C@@]4(CCOC4)C3)n2)cc1 153025308 IRHQWNOYAFOERE-HXUWFJFHSA-N 371.437 2.707 0 50 FFAA Cc1cnccc1NCCNc1nc(-c2ccncc2)nc2c1c(C)nn2C 72434837 MVILTOJWIUNOLR-UHFFFAOYSA-N 374.452 2.961 0 50 FFAA COc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72152029 HSKCGVYMNVZDJE-QGZVFWFLSA-N 370.424 2.716 0 50 FFAA Cc1cc(N2CCN(Cc3csc(C)n3)CC2)n2nc(C)c(C)c2n1 72410923 ROBOFSSMGSMSCI-UHFFFAOYSA-N 356.499 2.742 0 50 FFAA CCc1cc(CN2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)on1 71762673 VEXPVQYYUXZAEE-KRWDZBQOSA-N 374.529 2.536 0 50 FFAA Cc1ncsc1CCCNC(=O)c1ccc(N2CCN(C)CC2)cc1 219676940 MKQKTCGPOGXOHN-UHFFFAOYSA-N 358.511 2.566 0 50 FFAA O=C(N[C@@H]1CCc2nc[nH]c2C1)c1c[nH]nc1-c1cccc(OC(F)F)c1 371307117 AYZRBEYKQZVHIK-LLVKDONJSA-N 373.363 2.689 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 72146072 VZZYRIZFHDWVKM-KRWDZBQOSA-N 356.463 2.708 0 50 FFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCC[C@H]3CO)c2c1 77339134 ZNLNQEHKZHXHBG-KRWDZBQOSA-N 355.482 2.737 0 50 FFAA CCc1cc(O)nc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 262150392 RFWPKRAFEPMCNY-MRXNPFEDSA-N 358.511 2.950 0 50 FFAA CN(CCc1ccccn1)Cc1c(C(=O)N2CCCC2)nc2ccccn12 71763041 DBQPYKFZGVFEOQ-UHFFFAOYSA-N 363.465 2.640 0 50 FFAA c1cnc(N2CCN(Cc3cc(CN4CCCCC4)cs3)CC2)cn1 215120398 RVDCBWIMSKYCBE-UHFFFAOYSA-N 357.527 2.846 0 50 FFAA CCCc1nc(C)c(C(=O)N2CCC(N3C(=O)CCCC3=O)CC2)s1 375329902 BPMUAYJVJRAETI-UHFFFAOYSA-N 363.483 2.548 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CC(n2ccnn2)C1 376040764 BWDIMFLNOPNGBD-UHFFFAOYSA-N 365.359 2.594 0 50 FFAA COc1cccc(C2(c3noc([C@@H]4CC45CCS(=O)(=O)CC5)n3)CC2)c1 377551119 VBWRZTMVVVAKQX-HNNXBMFYSA-N 374.462 2.840 0 50 FFAA COC(=O)c1sccc1NC(=O)N1CCN(CCc2ccccc2)CC1 13736879 SYAYWQHMOKIZGY-UHFFFAOYSA-N 373.478 2.927 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3ccnc(N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72125304 MLGORCWBCQXIIL-CEWLAPEOSA-N 362.477 2.675 0 50 FFAA CC(C)CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71752427 QZCALQDOWPSKRL-HXUWFJFHSA-N 372.557 2.920 0 50 FFAA COc1ccc(C2(C(=O)N3CCCN(Cc4ccncc4)CC3)CC2)cc1 77379754 KNRXBSCTNXEMTQ-UHFFFAOYSA-N 365.477 2.856 0 50 FFAA O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ncccc2F)CC1 72477146 IJNOBDJRUCCSDU-UHFFFAOYSA-N 356.357 2.758 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@@H]3Cn3cccn3)cc2)o1 426640341 DCDDKQTXSQRFKO-MRXNPFEDSA-N 352.398 2.938 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)c1 426488376 UBALJHOQKBJGSI-MRXNPFEDSA-N 355.438 2.533 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 426387161 WKIBTHWKRQUTSX-SNVBAGLBSA-N 353.831 2.702 0 50 FFAA Cc1cc(=O)n(C)cc1NC(=O)N1CCC(c2noc(C(C)C)n2)CC1 292888657 YOZSXUCQKNTRSI-UHFFFAOYSA-N 359.430 2.612 0 50 FFAA CN1CCN(c2ccc(NC(=O)N[C@@H](c3nccn3C)C3CC3)cc2)C1=O 95499365 FVJIADMIOWLPKA-MRXNPFEDSA-N 368.441 2.565 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)Cc1noc3ccccc13)C2 95500907 HUDHUCGNFIGXNM-CYBMUJFWSA-N 352.390 2.746 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 92081987 LSZQXNAZFBQRTR-QGZVFWFLSA-N 364.492 2.589 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 95365719 OJDZVHGIVXMZHW-ZDUSSCGKSA-N 372.450 2.714 0 50 FFAA CCCNC(=O)c1cc(NC(=O)N2CCN3CCC[C@H]3C2)ccc1Cl 426689267 OLIIUHFNKTZCFO-AWEZNQCLSA-N 364.877 2.792 0 50 FFAA Cc1cc(-c2nn(C)c(Cl)c2CN(C)CCCc2nccn2C)no1 97785243 HOHCGWUEQNSNEU-UHFFFAOYSA-N 362.865 2.835 0 50 FFAA O=C1CCC2(CCN(C(=O)[C@H]3CCCCO3)CC2)CN1Cc1ccccc1 91426628 WGPPOCUJQIMSFX-LJQANCHMSA-N 370.493 2.987 0 50 FFAA CC[C@H](NC(=O)CCN1CCN(c2cccc(C)c2)CC1)c1ccnn1C 95382194 ONRUULFBODWRLN-IBGZPJMESA-N 369.513 2.508 0 50 FFAA COc1cc(Cl)cc(CN2CCC(c3nncn3C)CC2)c1OC 97679989 RVYXJJSABQYUPK-UHFFFAOYSA-N 350.850 2.865 0 50 FFAA CCn1nc(-c2csc(C)n2)nc1C[C@@H](N)c1ccc(OC)c(OC)c1 96163688 MPCRYCAYPCCIRM-CYBMUJFWSA-N 373.482 2.990 0 50 FFAA Cc1ocnc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 91846009 LNCDDBZTXKMDHS-UHFFFAOYSA-N 357.439 2.704 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 91769312 BLWBLETXCHQFEG-QGZVFWFLSA-N 370.493 2.642 0 50 FFAA COc1ccc(F)c(CN2CCN(c3ccc(C(=O)O)cc3)CC2)c1F 97505639 STLZQFDWXNOSTG-UHFFFAOYSA-N 362.376 2.994 0 50 FFAA O=C(c1ccccc1-n1cccn1)N1CCN(C2CCSCC2)CC1 97594703 SGMYSPYMNNKRLI-UHFFFAOYSA-N 356.495 2.526 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc3c(s1)CCCC3)C2 95499132 NEMPGZIWGWSALK-ZDUSSCGKSA-N 358.463 2.898 0 50 FFAA Cn1ccnc1C1CCN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 91808074 LKAPJQPBJOUSTC-UHFFFAOYSA-N 355.417 2.774 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)ncn3C)C1 96152294 CYODKKQHDXPAPG-CQSZACIVSA-N 357.458 2.686 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[C@H](COc2ccccc2F)C1 92027957 WCMQGSBHOGNKST-ZDUSSCGKSA-N 371.412 2.718 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)s1)CC2 91526750 XINDZBFJWXHJOP-UHFFFAOYSA-N 374.510 2.627 0 50 FFAA CSCc1noc(CNC(=O)c2ccc(CN3CCCCC3)cc2)n1 95366846 WXOWRCPQHZBPHF-UHFFFAOYSA-N 360.483 2.849 0 50 FFAA CSCC1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95522579 IJZDBIYDKGZULM-UHFFFAOYSA-N 357.479 2.833 0 50 FFAA COc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)on1 184890235 YTFCISIKZJKREC-VXGBXAGGSA-N 356.300 2.650 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257198604 DCYPWEXSDWXVGJ-VXIWKAIFSA-N 366.509 2.934 0 50 FFAA biogenic CCc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc(O)n1 253535298 QJPQKQGWYGVINL-CFLQYTFWSA-N 368.433 2.527 0 50 FFAA Cc1ccc(-n2nc(C)c(CC(=O)N3CC[C@H](CN)C3)c2C)cc1Cl 299739158 LGMYQFMRBNXIGF-OAHLLOKOSA-N 360.889 2.801 0 50 FFAA COc1cn(CC(=O)Nc2ccc(-n3nc(C)cc3C)cc2)c(C)cc1=O 253412618 RNTIRIJDFKBYPD-UHFFFAOYSA-N 366.421 2.607 0 50 FFAA CC(C)(C)OC(=O)NCCOCCOCCC(=O)OCc1ccccc1 606235275 VFUSFIHBAGVVSH-UHFFFAOYSA-N 367.442 2.678 0 50 FFAA C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(C)c2ccccc12 184782566 XQMMOHFETDOYIV-HNNXBMFYSA-N 365.433 2.859 0 50 FFAA C[C@@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C1CCN(C)CC1 534672417 DFSFRZXGPSLXLC-MBNRZODZSA-N 370.541 2.757 0 50 FFAA O=C1C[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C2(CCCCC2)O1 534659732 HDSOTHREVBXAAS-ZDUSSCGKSA-N 362.495 2.947 0 50 FFAA CCOc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299791730 FJCUECCVAQAWOJ-UHFFFAOYSA-N 364.453 2.700 0 50 FFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1ccsc1)C2 299785516 TVOWWNUFPIZRMO-JTQLQIEISA-N 363.464 2.615 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H](C)c2nncn2C2CCCC2)s1 299788859 TZGKMAGWHLDUMA-VIFPVBQESA-N 352.489 2.523 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 299786399 XCRQLAAHEGGEQV-HNNXBMFYSA-N 373.428 2.863 0 50 FFAA CN1CCOC[C@@H](CNC(=O)Nc2ccccc2CCc2ccccn2)C1 299785885 KXLGIASSRFBDBJ-KRWDZBQOSA-N 368.481 2.567 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)Cc2c(F)cc(F)cc2F)cc1 823676125 GRXVHNCDTLGWTB-UHFFFAOYSA-N 365.355 2.785 0 50 FFAA O=C1C[C@@H](C(=O)NC2CCN(c3ccccc3F)CC2)C2(CCCC2)O1 828244586 VXMVWNSRISYPEL-HNNXBMFYSA-N 360.429 2.787 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 823676130 HPIQOYOIRRZGDJ-UHFFFAOYSA-N 355.413 2.996 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(C(C)C)cs1 584901440 IUULVJMXVVOIPS-OAHLLOKOSA-N 366.531 2.851 0 50 FFAA O=C(c1ccccc1Nc1ccccc1)N1CC23COCC2(COC3)C1 1875278630 QHOCYQVWPGZJSJ-UHFFFAOYSA-N 350.418 2.919 0 50 FFAA C=CC(=O)N[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1C(F)(F)F 1875370750 BWGJOSPTPHCWOM-VXGBXAGGSA-N 358.385 2.931 0 50 FFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)c1cnn2cc(C)cnc12 952965440 UJDUYNBHCWTISI-UHFFFAOYSA-N 353.382 2.647 0 50 FFAA Cc1ccccc1CC(=O)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886095304 RCURNKFQQVUIMK-FQEVSTJZSA-N 353.466 2.674 0 50 FFAA CCc1ocnc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1c(C)noc1C)C2 1565508207 JXSSDOCNPNEFRK-CABCVRRESA-N 358.442 2.578 0 50 FFAA O=C(c1ccoc1)N1CCC(N[C@H]2CCCO[C@@H]2c2ccncc2)CC1 275481840 ILHVFWLRURPFIU-RBUKOAKNSA-N 355.438 2.789 0 50 FFAA Cc1cc(OCC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)ccc1Cl 170618677 QTXMPMYIPMRDKO-ZDUSSCGKSA-N 360.845 2.806 0 50 FFAA CCc1nc2cc(NC(=O)C(=O)N(C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)ccc2o1 170603801 FFSPMGZCRPJKBH-JLZZUVOBSA-N 371.437 2.601 0 50 FFAA Cc1nnc(CCNC(=O)CCCOc2cccc3ccccc23)n1C 170610615 FXKXICKXZGACIS-UHFFFAOYSA-N 352.438 2.795 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@H]1CO 171892771 OONJTHJIOTXOMI-NSHDSACASA-N 356.304 2.744 0 50 FFAA OCc1cccc(CNCc2cc(Br)c3c(c2)OCO3)c1 222120842 URRGEMACKNDVGT-UHFFFAOYSA-N 350.212 2.960 0 50 FFAA Cc1ncnc(C)c1C(=O)N1CCCN(C/C=C/c2ccccc2)CC1 1529099972 KFOWMSBTEPEBLY-UXBLZVDNSA-N 350.466 2.955 0 50 FFAA CC(C)c1ccc(CCCC(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704280492 HTVOXCZCJWHEJL-TZIWHRDSSA-N 367.493 2.985 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2nc(CCOC)oc2c1 11873922 DNCJDVQIOKSZEM-OAHLLOKOSA-N 374.437 2.965 0 50 FFAA Cc1ccc(CN2CCC[C@@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)s1 11996415 GYWUPEGTZWDERF-MRXNPFEDSA-N 373.526 2.796 0 50 FFAA COc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)c(OC)cc1C 16578205 IOKJVQSUTDYGMA-UHFFFAOYSA-N 374.462 2.658 0 50 FFAA O=C(Nc1ccccc1)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19338521 RSKVOTCZZFNCLP-NSHDSACASA-N 352.649 2.837 0 50 FFAA Cc1noc(-c2cccn3c(CNC(=O)c4cccc(Cl)c4)nnc23)n1 169775984 LOISILYIKTYPJA-UHFFFAOYSA-N 368.784 2.671 0 50 FFAA CCCOc1cc(Cl)c(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1OC 1857669450 AYMGQUHEHQEDIS-HNAYVOBHSA-N 369.889 2.968 0 50 FFAA c1ccc(Cn2ccnc2-c2cnn3cccnc23)c(Cn2cccn2)c1 1857689680 VGGYXQWWAZNTHN-UHFFFAOYSA-N 355.405 2.886 0 50 FFAA O=C(CCc1cc(Cl)no1)N[C@H]1[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 1857707454 SYTSGPQKMJSTIX-CCWDJLKJSA-N 374.872 2.682 0 50 FFAA Cc1ccc2sc(C(=O)N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cc2c1 1857726290 KPPLMEJHPRAXPV-GDBMZVCRSA-N 355.463 2.917 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCOC1)c1cccc(Br)c1 238142875 LITPEXUALWNLBW-DGCLKSJQSA-N 356.216 2.508 0 50 FFAA CCOC(=O)CN(CC(C)C)C(=O)[C@@H](C)n1ccc2ccccc2c1=O 241139428 JQVMPBSLABGHBY-OAHLLOKOSA-N 358.438 2.610 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1[nH]nc2c1CCCC2 131974496 HKUDDMOQJZPTKN-HNNXBMFYSA-N 372.856 2.867 0 50 FFAA CCn1nc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1C1CC1 908319468 SYNNGBHWFOPTOE-QGZVFWFLSA-N 354.454 2.599 0 50 FFAA Cc1ncc(CNC(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)o1 854911012 KGSPWKZPNPNNFQ-PXNSSMCTSA-N 369.421 2.648 0 50 FFAA CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 2345896 FZEIKQZETAMBKM-UHFFFAOYSA-N 366.468 2.808 0 50 FFAA CCC[C@@]1(C(=O)O)CN(c2cc(C)nc3cc4c(cc23)OCO4)CC[C@H]1O 2100557326 ZNTOGRIXBZTGHI-UYAOXDASSA-N 372.421 2.714 0 50 FFAA CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 36006940 RAHYDEYNMNOBFR-QZWWFDLISA-N 367.239 2.667 0 50 FFAA CC1(C)C[C@@H](CC(N)=O)N(c2ncnc3scc(Br)c23)C1 2325790892 SXGMLQLCHGIRGX-MRVPVSSYSA-N 369.288 2.934 0 50 FFAA O=C(CNC(=O)N1CCc2ccccc2C1)N[C@H]1CCCc2ccccc21 109927590 PDAHVKAEAPDHJM-FQEVSTJZSA-N 363.461 2.948 0 50 FFAA COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 670771 YBRCBUWFVILUJG-UHFFFAOYSA-N 374.462 2.661 0 50 FFAA COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC 803528 APEUHPWMTXWDRJ-UHFFFAOYSA-N 355.438 2.708 0 50 FFAA CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccncc1 905171 WYPDNTLWPZIWDX-UHFFFAOYSA-N 360.468 2.856 0 50 FFAA CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1 1114508 VRJCVHYBQHNLJQ-UHFFFAOYSA-N 360.479 2.909 0 50 FFAA CCOc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 1138004 WMUFDXJVDTULEO-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA NC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCC2 1853074 PMMJOVNIRBRHDV-UHFFFAOYSA-N 351.478 2.524 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(Cc2ccnn2-c2ccccc2)C1 2356144473 ZHYMTBOWJXIEIL-OAQYLSRUSA-N 360.465 2.555 0 50 FFAA COC(=O)[C@@H]1CC12CCN(c1nccc(-c3ccc(C)nc3C)n1)CC2 2356165463 ALMZXVLMUIQQED-INIZCTEOSA-N 352.438 2.935 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)OC2=C[C@@H]1NC(=O)c1ccccc1 101135795 NBBNPGKKUWNAJF-AGKXRFJRSA-N 367.401 2.786 0 50 FFAA O=C(c1nc2ccccc2[nH]c1=O)N(Cc1ccsc1)C[C@@H]1CCCO1 55575815 RCXLUYPBHACSPK-AWEZNQCLSA-N 369.446 2.806 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(CCc2cn[nH]c2)CCO3)n1 67872579 MFZUBIYIASOPQM-UHFFFAOYSA-N 365.437 2.626 0 50 FFAA COCCN1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2nccn2C)C1 65459004 JVSQLXDDIKTZLE-KRWDZBQOSA-N 365.481 2.919 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67675093 XGPCKAUQVWEDHV-UHFFFAOYSA-N 364.405 2.531 0 50 FFAA O=C1CCCCCN1Cc1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 67803359 DQFZSZKQGBISNA-IBGZPJMESA-N 359.401 2.818 0 50 FFAA CCc1ncc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)s1 328633932 SWNSQBNTAKOZBU-AWEZNQCLSA-N 372.494 2.994 0 50 FFAA CC[C@H](C(=O)N1CCC(C)CC1)N(c1ccccc1F)S(C)(=O)=O 67601924 PHJNCYZLJWAWAK-OAHLLOKOSA-N 356.463 2.629 0 50 FFAA CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 172890686 KQYFZWBQHBPKSH-AWEZNQCLSA-N 372.494 2.830 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 2805049 OAHUAGZSHCGLMP-UHFFFAOYSA-N 365.846 2.726 0 50 FFAA COc1cccc(/C=C2\SC(=N)N(c3nonc3-n3cccc3)C2=O)c1 4775732 UXKPAFIVFNGDMU-FWPNEJFGSA-N 367.390 2.925 0 50 FFAA O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(NCC2CC2)nc1 282624806 FKFDXZBSDNNUHK-INIZCTEOSA-N 350.422 2.759 0 50 FFAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCCCO)cnc21 77358979 UHEJQZYASYZOKK-UHFFFAOYSA-N 358.829 2.791 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(Cn2ccc3ccccc32)o1 72435011 RJTPKVXATVLPTO-HNNXBMFYSA-N 368.389 2.598 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 6827465 QDKCOFIKRHXDFU-UHFFFAOYSA-N 372.372 2.730 0 50 FFAA CC1(C)CN(C(=O)NC2CCN(c3nccs3)CC2)[C@H]1[C@H]1CCCO1 332914840 UWQPHBVQXKELIO-CABCVRRESA-N 364.515 2.711 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2ccncc2)C1 72475694 FNRIMCIJGYIJQR-GOSISDBHSA-N 354.502 2.576 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 330861506 SCONYSMOLRUHLR-CQSZACIVSA-N 361.389 2.927 0 50 FFAA CCc1nnc([C@H]2CN(C(=O)NCc3oc4ccccc4c3C)CCO2)o1 364037302 SPBOFFOCSVMCAJ-MRXNPFEDSA-N 370.409 2.970 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)CC[C@H](C)N1CCN(C)CC1 219010821 ZTIXOFODBNMLOM-INIZCTEOSA-N 356.514 2.551 0 50 FFAA CC1(C)[C@H]2CC=C(COC(=O)Cc3csc(N4CCNC4=O)n3)[C@@H]1C2 128392393 SBSPAOUVTAKNKO-JSGCOSHPSA-N 361.467 2.751 0 50 FFAA CCCc1nc(NCc2csc(-c3ncccn3)n2)c2cnn(C)c2n1 72174637 NNDLXHDMYGGSPT-UHFFFAOYSA-N 366.454 2.841 0 50 FFAA O=C(c1nc2sccn2c1CN1CCOCC1)N1CCCCCCC1 71762577 SOHNFALDMPQKSI-UHFFFAOYSA-N 362.499 2.634 0 50 FFAA C[C@H]1CN(CCCCNCc2c(Cl)nc3ccccn23)C[C@H](C)O1 237608116 NAYRYFUOPYNRMS-GJZGRUSLSA-N 350.894 2.967 0 50 FFAA Cn1c(C(=O)N2CCC[C@H](c3cc(=O)nc[nH]3)C2)cc2c(Cl)cccc21 216322607 HIHRLBDBUPXXLM-LBPRGKRZSA-N 370.840 2.935 0 50 FFAA Cc1cc(NCc2csc(N3CCOCC3)n2)n2nc(C)c(C)c2n1 72409530 SERYXUTXDMLYMV-UHFFFAOYSA-N 358.471 2.560 0 50 FFAA C[C@@H]1CC(=O)NCCN1C(=O)CCOc1ccccc1-c1ccccc1 371000869 QYODMXPNICRLRD-MRXNPFEDSA-N 352.434 2.860 0 50 FFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc3sc4c(c3c2)CCNC4=O)CC1 72169885 UGHMFNFMEHLURI-CQSZACIVSA-N 371.506 2.744 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cc3ccccc3cn2)CC1)N1CCOCC1 72407943 DJCZTSLKSWJYQL-INIZCTEOSA-N 353.466 2.808 0 50 FFAA Cc1ccc(F)c(Cn2nc([C@@H]3CCCNC3)n(-c3ccccc3)c2=O)c1 71756773 DEKWOLAPOCLUKC-MRXNPFEDSA-N 366.440 2.997 0 50 FFAA C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 262770431 AIJFAHPKIQOYGL-DOPJRALCSA-N 357.381 2.920 0 50 FFAA O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@]2(CCCOC2)C1 286400732 PEFCJCXRPYDCJJ-HXUWFJFHSA-N 360.454 2.815 0 50 FFAA c1nc(CSc2nnc(C3CCNCC3)n2C[C@H]2CCCO2)cs1 426727465 LCMJOWQWINOKKH-CQSZACIVSA-N 365.528 2.673 0 50 FFAA CCCc1cn(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)nn1 48241160 YGMLWDQQUDWHRS-UHFFFAOYSA-N 369.469 2.600 0 50 FFAA Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](OCc3cccnc3)C2)n1 223473495 PHVTVOSWAMFBKO-LJQANCHMSA-N 356.470 2.883 0 50 FFAA O=C(NC[C@H](O)c1cccs1)NC1CCN(Cc2ccccc2)CC1 426497063 BQPQQEXOPWZOGU-KRWDZBQOSA-N 359.495 2.745 0 50 FFAA COc1cccc(CC(=O)N2CC(=O)N(c3ccccc3C)C[C@H]2C)c1 82098565 QKHMBLZDFOZZRY-MRXNPFEDSA-N 352.434 2.810 0 50 FFAA CN1CCC(CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 426582816 LZGQGGLNIKXFIJ-KRWDZBQOSA-N 351.878 2.765 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)c2coc(CN3CCOCC3)c2)c1 97463577 OFHPBGXHGGARKM-IBGZPJMESA-N 356.422 2.708 0 50 FFAA CCN1CC2(CCN(Cc3nnc(C)o3)CC2)C[C@H](c2ccccc2)C1=O 91858445 YEALGZVPOMYCON-GOSISDBHSA-N 368.481 2.996 0 50 FFAA COc1cccc(CCNC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)c1 426471749 ZKKXLXFQQBRZHV-KRWDZBQOSA-N 367.449 2.937 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@@H]2COc3c(cccc3OC)C2)C1 95362308 KFSLCDOCXPCRJX-HNNXBMFYSA-N 369.417 2.545 0 50 FFAA Cc1cc(C(=O)NC[C@@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)[nH]c1C 95362987 JLEMRCOMIJTVCG-CYBMUJFWSA-N 362.813 2.633 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)cc2)C[C@@H]1CO 91849310 NTPQJCUTVHHZCR-QZTJIDSGSA-N 356.441 2.735 0 50 FFAA OCCn1nc(C2CCOCC2)nc1[C@H]1CCCCN1Cc1ccccc1 96150995 YZBNVGLIRLAAIK-LJQANCHMSA-N 370.497 2.892 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1Cl 239128677 KPNMDLILISIXJP-UQBFBZJBSA-N 370.836 2.704 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c1O 95371044 QQLFBQVCCAZMRF-KRWDZBQOSA-N 370.497 2.869 0 50 FFAA CN(C)c1cncc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95374187 DXFAUIWTIWUKGC-AWEZNQCLSA-N 369.498 2.628 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)CCCN3CCCCC3=O)C2)c1 95386707 CYFYBCHGUHYCRK-QGZVFWFLSA-N 372.465 2.569 0 50 FFAA CCc1noc(C)c1C(=O)N(CC)CCS(=O)(=O)c1ccc(C)cc1 97243930 HEDBGYSCKSQGHS-UHFFFAOYSA-N 364.467 2.790 0 50 FFAA O=C(c1ncoc1C1CC1)N(CCCn1ccnc1)Cc1cccnc1 97819487 ACMYNTPTJKBYLA-UHFFFAOYSA-N 351.410 2.876 0 50 FFAA CC1(C)SC[C@@H](C(=O)N(CCc2ccccc2)Cc2ccco2)NC1=O 97635025 HUHYJAVYQARMKK-KRWDZBQOSA-N 372.490 2.861 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC(c2nc(N)n[nH]2)CC1 614989400 KRNBXKORPMCYOB-ZDUSSCGKSA-N 357.458 2.685 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)no1 299794917 LSIFSWAPEXLNJO-INIZCTEOSA-N 369.421 2.927 0 50 FFAA Cc1cccc2oc(CNC(=O)[C@H]3CCCN(C4CCOCC4)C3)nc12 299783837 VGESCZKBFZBTKB-HNNXBMFYSA-N 357.454 2.643 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cccc2nc(C)ccc12 299772296 XQFOFBNEJXFBJQ-UHFFFAOYSA-N 353.426 2.957 0 50 FFAA CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN[C@H](C)COC 299797410 NXHZZNGXWTWSER-GFCCVEGCSA-N 374.466 2.783 0 50 FFAA NC1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)CC1 826956735 PYXZFOVOOXIFHW-SFHVURJKSA-N 364.921 3.000 0 50 FFAA COc1ccc(S(=O)(=O)N[C@H](C)c2nncn2C(C)C)cc1Cl 670447851 AFKIBXJADULWNP-SNVBAGLBSA-N 358.851 2.561 0 50 FFAA CCC1(C(=O)N2C[C@@]3(C)CN(C(=O)c4n[nH]cc4C)C[C@@]3(C)C2)CCC1 1875408466 XJFPBGGAGZYMKX-KDURUIRLSA-N 358.486 2.609 0 50 FFAA CC[C@](C)(OC)C(=O)N1Cc2cnn(-c3ccccn3)c2CC(C)(C)C1 952891410 DMCBXWSGTGJFPI-FQEVSTJZSA-N 356.470 2.993 0 50 FFAA CCN1CCO[C@@H](CN[C@H]2CCc3ccc(F)cc32)[C@@H]1c1nccn1C 886027234 PBADJLXYQPUITE-GBESFXJTSA-N 358.461 2.598 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)c(=O)n1C 952968274 PEAZRYRWNPDMMB-KRWDZBQOSA-N 356.422 2.894 0 50 FFAA CCCc1nc(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)cs1 1506418178 QAKRBJCTCXSRCN-JTQLQIEISA-N 358.423 2.793 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCC([C@H](O)c2cccs2)CC1 1506408486 SNNOALACGYXNDN-SFHVURJKSA-N 368.462 2.915 0 50 FFAA CN1C[C@]2(CCCN(Cc3cc(O)c4cccc(F)c4n3)C2)CCC1=O 1506428232 YLFLKXCKSMTHLE-FQEVSTJZSA-N 357.429 2.914 0 50 FFAA Cc1cc2c(cc1C(=O)N(C)[C@@H]1C[C@@H]3C[C@H](N(C)C)C[C@@H]3C1)OCCO2 1529103603 DRJFXZWYQBQLSN-WNKDZCFJSA-N 358.482 2.957 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)NC3CCCCC3)C1)CC2 1704300007 XBVUGSBLZCVFSP-HXUWFJFHSA-N 357.502 2.865 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)cnc1C 1704280355 ZUJDYWZZZVIXNU-WIYYLYMNSA-N 361.445 2.922 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CN(C2Cc3ccccc3C2)CC[C@@H]1O 1704349300 FETBNQZDHJENFJ-UNMCSNQZSA-N 351.446 2.534 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cnc4ccccc4n3)C1)CC2 1704300882 YXPMIEHQAZSLEK-NRFANRHFSA-N 359.433 2.848 0 50 FFAA COc1ccc(CCCC(=O)N(CCN(C)C)Cc2cnc(C)[nH]2)cc1 1704324687 DBQLAUBAJHOMDF-UHFFFAOYSA-N 358.486 2.640 0 50 FFAA O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859140 VTKDNOOWBIARLM-JMSVASOKSA-N 370.352 2.852 0 50 FFAA COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 13944090 SUZGOVCBPRZMHO-CYBMUJFWSA-N 370.405 2.704 0 50 FFAA COC(=O)c1ccc(N2C(=O)C[C@@H](NCc3ccc(Cl)cc3)C2=O)cc1 18115884 CHJOFOYPJGYFMN-MRXNPFEDSA-N 372.808 2.548 0 50 FFAA CCOC(=O)CC1(CC(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1 204598380 OVJBHWPNDUHIHN-UHFFFAOYSA-N 357.447 2.910 0 50 FFAA COc1ccc(OC2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)cc1 205360704 ZRKVQTSGYOPCFX-UHFFFAOYSA-N 351.399 2.928 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc(-n3cccn3)ccc1Cl)C2 1857676127 JZTOBHRCOZEFLE-GOSISDBHSA-N 374.828 2.583 0 50 FFAA CCN(CC)Cc1cc(-c2nccn2C[C@]2(O)CCCNC2)ccc1OC 1857696737 ANMGXDKMJKNURW-NRFANRHFSA-N 372.513 2.515 0 50 FFAA COc1ccccc1-c1ncc(-c2nccn2CCCc2nn[nH]n2)s1 1857702779 PJNGCSCPKOTNKL-UHFFFAOYSA-N 367.438 2.828 0 50 FFAA C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N4CCOCC4)c23)C1 781900 GMLHCMSWOCTXHR-LLVKDONJSA-N 363.508 2.767 0 50 FFAA C[C@H](NC(=O)c1cc(Br)ccc1O)c1nnc2n1CCCC2 150972910 OKWHLZGCWMBMOV-VIFPVBQESA-N 365.231 2.574 0 50 FFAA COCc1cc(=O)[nH]c(-c2ccc(CN(C)[C@H]3CCOC(C)(C)C3)cc2)n1 23215090 BZEFBNHTNJATDT-SFHVURJKSA-N 371.481 2.973 0 50 FFAA Cc1sc2nc(CN3CCC(Cc4nccn4C)CC3)[nH]c(=O)c2c1C 163387595 JRGNXWJMXJSUIF-UHFFFAOYSA-N 371.510 2.790 0 50 FFAA CCOC(=O)N1CCC(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)CC1 1704308407 QKGMUBRHIBOGLA-HXUWFJFHSA-N 358.486 2.686 0 50 FFAA Cc1ncn(CCNS(=O)(=O)c2ccc3ccnc(Cl)c3c2)c1C 2325807355 UASHHGZISPOGEH-UHFFFAOYSA-N 364.858 2.680 0 50 FFAA Cc1nn[nH]c1CCCNC(=O)c1cc2cc(Br)ccc2o1 2325810149 AUZRXAVMONPEQQ-UHFFFAOYSA-N 363.215 2.984 0 50 FFAA CCn1cc(-c2ccccc2)nc1NC(=O)c1cn2cc(CN)ccc2n1 2325856101 AWXTWPPCOLSQON-UHFFFAOYSA-N 360.421 2.929 0 50 FFAA Cn1c(=NCC2(N)CCN(Cc3ccccc3)CC2)[nH]c2cccc(F)c21 2325856496 RPAYGWOSKOBJJT-UHFFFAOYSA-N 367.472 2.540 0 50 FFAA O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1cccc2c1OCCNC2 2325859104 ODFLURZFPORCQA-KRWDZBQOSA-N 366.396 2.550 0 50 FFAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)N(CCC(F)(F)F)CC1CC1 892775182 XNKQULCACCHGDV-AWEZNQCLSA-N 363.424 2.519 0 50 FFAA S=C(Nc1ccc2snnc2c1)N1CCN(c2ccccn2)CC1 780633 IKJQZYXGLXKVOT-UHFFFAOYSA-N 356.480 2.605 0 50 FFAA aggregator COc1ccc2[nH]nc(CN3CCc4nc(-c5ccccc5)nn4CC3)c2c1 2356144836 NZGMFJVEJXFNAO-UHFFFAOYSA-N 374.448 2.888 0 50 FFAA O=C1CCCN1CCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 2371091 XXNRCHRSQGAOGQ-UHFFFAOYSA-N 370.844 2.893 0 50 FFAA CCOC(=O)c1sc(NC(=S)NC2CC2)c(C(=O)OCC)c1C 2852610 RVAHJLKCXBPMOG-UHFFFAOYSA-N 356.469 2.859 0 50 FFAA CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 2877444 DYFYRWLURWRBED-UHFFFAOYSA-N 350.484 2.704 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)N1CCCN(CCCc2ccccc2)CC1 109400817 RYQPDJOSIVCTET-UHFFFAOYSA-N 369.513 2.877 0 50 FFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@H]1c1ccccn1 55522646 GROFQTQQIBPLJV-IBGZPJMESA-N 362.433 2.935 0 50 FFAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1CCCc1ccccc1 22919571 QRGRGPDJCBUADK-OAQYLSRUSA-N 354.494 2.894 0 50 FFAA CCN1CCC(CC(=O)N(CCOC)Cc2c(C)nn(CC)c2C)CC1 55384800 UCWPNAVJUOILHU-UHFFFAOYSA-N 364.534 2.617 0 50 FFAA CS(=O)(=O)Cc1ccc(NC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1F 247671142 ZLDSWYFCSFIQCH-SZHJEYTRSA-N 352.431 2.536 0 50 FFAA O=C(O)c1ccc2c(c1)n(Cc1ncccn1)c(=O)n2CCc1ccccc1 55369462 OZIAXYDGKSJDOL-UHFFFAOYSA-N 374.400 2.582 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)CSc3ccccc3C)C2)cc(=O)[nH]1 23542773 PEHHZTMFDXMWGZ-OAHLLOKOSA-N 357.479 2.885 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 120477770 FVDHJEOTNAPIFA-CYBMUJFWSA-N 354.332 2.576 0 50 FFAA O=C1C[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)CN1c1ccc(Cl)cc1 230137561 ZKRMKARGNUSZPW-XKQJLSEDSA-N 362.857 2.863 0 50 FFAA CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3nc(C)nc3C)C2)cc1 11844209 LISLVWBEPUPJPL-INIZCTEOSA-N 372.494 2.738 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(-c3cccnc3)nc2)CC1 67895235 ILXOSHMDLFYMMX-UHFFFAOYSA-N 364.449 2.618 0 50 FFAA Cc1cc(C)cc(OCC(=O)N2CCN([C@@H](C)c3nnc(C)s3)CC2)c1 329646464 BCCDXOGVSWPHAE-HNNXBMFYSA-N 374.510 2.748 0 50 FFAA Cc1csc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2O)n1 253431630 WNEAQEQBCUKGAC-UHFFFAOYSA-N 352.359 2.654 0 50 FFAA O=C(O)[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc(Oc2ccccc2)o1 72470793 GRLCOTNXKRFEBJ-MRXNPFEDSA-N 353.334 2.619 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccc(C(F)(F)F)cc1F)C2 72133227 CUFVZOFQCYGTIK-ZBFHGGJFSA-N 360.351 2.873 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1 77355089 NEUFMUWNOMKDQB-UHFFFAOYSA-N 373.460 2.805 0 50 FFAA C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ncon1 155395530 VYFBXCSFXJFNPK-HJWJTTGWSA-N 368.437 2.720 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72165833 CHKLZIIPDJZWHR-FQEVSTJZSA-N 351.406 2.724 0 50 FFAA CCN(CCO)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72172682 MZLUOQKTEXFDCB-UHFFFAOYSA-N 366.505 2.539 0 50 FFAA Cc1ccc(N2CCC(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)CC2)nc1 173446400 IDQCCHSWVLUDMK-HNNXBMFYSA-N 369.513 2.704 0 50 FFAA O=C(c1conc1C1CC1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 368225250 HGWCJGKXAPCNOR-ZDUSSCGKSA-N 351.410 2.690 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1COC2(CCNCC2)C1 216417666 VOLXPMOQSPAKRQ-HXUWFJFHSA-N 350.462 2.923 0 50 FFAA CN1C[C@@]2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)C2)OC1=O 72171707 RBSVMNDXPRUISZ-HXUWFJFHSA-N 353.422 2.713 0 50 FFAA Cc1ncc2c(c1CNC(=O)CCc1nc3ccccc3s1)CCNC2 72478768 SVOOAAPCOXAIGA-UHFFFAOYSA-N 366.490 2.894 0 50 FFAA CCn1c(CC2CCN(Cc3ccc4ccccc4n3)CC2)n[nH]c1=O 71749418 JLMWTJZYMWCYTI-UHFFFAOYSA-N 351.454 2.594 0 50 FFAA O=C(c1ncc(F)cc1F)N1CCC(c2nnc3n2CCCCC3)CC1 219264149 STPNCXOAPZSYQP-UHFFFAOYSA-N 361.396 2.698 0 50 FFAA CC(C)c1nc(CN2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)co1 71754040 QJQMNJOCZQHARS-MRXNPFEDSA-N 374.529 2.753 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 285580728 KMLSMVQGTQUFME-HUUCEWRRSA-N 352.312 2.754 0 50 FFAA COc1cccc(-n2cc([C@H](C)NC(=O)c3cc(=O)cc(C)o3)cn2)c1 221452632 KSZKXNPKJCLTDK-ZDUSSCGKSA-N 353.378 2.634 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 17072790 LBBCMWZFDCAXLK-UHFFFAOYSA-N 350.509 2.817 0 50 FFAA O=C(O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 226087292 CGQKYPMRVCKAJM-UHFFFAOYSA-N 352.239 2.620 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccn(C(F)F)n3)n2)cc1 223171437 DLNRVQJXRBZBNL-SECBINFHSA-N 363.324 2.828 0 50 FFAA COCCN1C[C@@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O 85532866 XZHQVKDWASQVIT-QGZVFWFLSA-N 355.841 2.730 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1 426566827 DVYXBDFWBFLNGH-CQSZACIVSA-N 362.437 2.833 0 50 FFAA CN1CCN(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)CC1 221376523 RWPJQZXEABYOTG-SFHVURJKSA-N 355.526 2.665 0 50 FFAA CCCNC(=O)c1cccnc1-c1ccc(C(=O)NC2CCOCC2)cc1 426398049 LOXULJJQCINBIJ-UHFFFAOYSA-N 367.449 2.797 0 50 FFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(N2CCCCC2)ccc1Cl 220046478 KMPSLUKHGANYNF-IAGOWNOFSA-N 352.862 2.864 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)c1C 82091349 KXHKGHXAIZXLRF-GFCCVEGCSA-N 374.872 2.876 0 50 FFAA CC(C)CN1CCCC[C@@H]1CCNC(=O)N1CCN(c2cccnc2)CC1 426551395 XDZHVJYOADPYLR-LJQANCHMSA-N 373.545 2.814 0 50 FFAA COCCN1CCN(C(=O)c2ccc(-c3ccc(N(C)C)cc3)cc2)CC1 426470600 KNKSJDWSHJSXGE-UHFFFAOYSA-N 367.493 2.824 0 50 FFAA O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(c2nc3ccccc3o2)CC1 426623217 MCMAAECWONDLGH-PMPSAXMXSA-N 352.438 2.872 0 50 FFAA Fc1ccc(-c2n[nH]cc2CN2CCCO[C@@H](CN3CCCC3)C2)cc1 97729994 WUILBSGRMDAWPN-IBGZPJMESA-N 358.461 2.903 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@H](CN2CCCCC2)C1 91289511 WMYRVCAGSSWLMA-CYBMUJFWSA-N 358.408 2.777 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)c1 239309198 HHBKTMOFNIDVNJ-BVBVUKCESA-N 364.445 2.685 0 50 FFAA O=C(Nc1ccccc1)N1CCC(N2C[C@]3(CCOC3)CCC2=O)CC1 91745323 VPZRGWFVRCGSLA-HXUWFJFHSA-N 357.454 2.712 0 50 FFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1[C@H](C)N1CCN(C)CC1 96138297 CSZMLJROQIYMNI-KRWDZBQOSA-N 371.529 2.986 0 50 FFAA CCN1CC2(CCC1=O)CCN(CC(=O)N[C@H](C)c1ccc(C)cc1)CC2 91664886 GQSIXWRQWNWKFD-GOSISDBHSA-N 371.525 2.897 0 50 FFAA CCc1nc(C)c(C(=O)N2CCc3[nH]cnc3[C@@H]2c2cccnc2)s1 97744683 YVTVFJTUKHKNSH-INIZCTEOSA-N 353.451 2.920 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]c1=O 92028441 CLTKRMOZNRMOSH-KRWDZBQOSA-N 366.421 2.824 0 50 FFAA Cc1cccn2c(CNC(=O)[C@@]3(C)CC[C@@H](C(=O)N(C)C)C3(C)C)cnc12 91725938 XVOZMGDAHHCDOB-HRAATJIYSA-N 370.497 2.790 0 50 FFAA CCc1ccc(NC(=O)N[C@H]2CN(C)S(=O)(=O)c3ccsc32)cc1 97076288 IBMPEFWCLNHQLA-ZDUSSCGKSA-N 365.480 2.807 0 50 FFAA CCN1CCC(CCNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95530564 KCLWWQUNNXMHEZ-UHFFFAOYSA-N 368.481 2.787 0 50 FFAA Cc1c[nH]c(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c(C)c1=O 95360185 JZAILTCKBQPIFN-GOSISDBHSA-N 365.477 2.630 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2ccncc2)CC1 91754961 DCIVUPCFSMXRBD-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA CCCn1cc(C(=O)N2CCN(Cc3cccc(C)c3)C(=O)[C@@H]2C)c(C)n1 91737340 ONXIJCSZPXECCC-KRWDZBQOSA-N 368.481 2.783 0 50 FFAA CCCOc1ccccc1CN1CCN(C)[C@]2(CCC(=O)N(CC)CC2)C1 91593364 TZHKHOKBMVDZAO-QFIPXVFZSA-N 373.541 2.994 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 92077166 BIGXBPMRBUZHBQ-ACJLOTCBSA-N 355.910 2.635 0 50 FFAA CC(C)N1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@@H]2O 252448757 HTTGYFDOLYVTKZ-WKCHPHFGSA-N 355.482 2.721 0 50 FFAA biogenic COc1ccc([C@H](NC(=O)c2ccc(C(C)C)nc2O)[C@H]2C[C@@H](O)C2)cn1 253534786 CVJVPPXMBFHZIO-IYOUNJFTSA-N 371.437 2.556 0 50 FFAA O=C(NCC1CCN(C(=O)CSc2ccccc2)CC1)c1ccccn1 532933399 KOIJBLQLHWYHGW-UHFFFAOYSA-N 369.490 2.842 0 50 FFAA Cc1oc(-c2ccccc2F)nc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299762747 AJMIKCQLDKNFTR-ROUUACIJSA-N 369.400 2.726 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1cn4c(n1)SCC4)(C3)C2 822692543 PUAYRZJCCPUXKR-VUKOWNLVSA-N 361.511 2.717 0 50 FFAA COCCc1noc([C@@H](C)NC(=O)c2cc(C)nc3cc(F)ccc23)n1 824462462 SPSXXAJYCXLABW-LLVKDONJSA-N 358.373 2.745 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)NCCC(=O)NC1CCCCC1 584897753 SENQOEZBAADRNK-UHFFFAOYSA-N 371.485 2.554 0 50 FFAA O=C(c1cccc(CNc2nc3ccccc3nc2F)c1)N1CCOCC1 865467818 QQMNVQQVLQOCJS-UHFFFAOYSA-N 366.396 2.853 0 50 FFAA NC(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)Cc1ccc(C3CCC3)cc1)C2 1875394243 AJMPMHZYCHAGMC-LZLYRXPVSA-N 365.433 2.598 0 50 FFAA Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)cc(Cl)nc1Cl 1875369419 MXHWMTVYKKGJRE-KOLCDFICSA-N 356.253 2.637 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(C(=O)C24CC(CN)(C2)OC42CCC2)C3)cc1 1875405601 KMFMYRYKSOKQLS-MAKTXDPSSA-N 352.478 2.526 0 50 FFAA Cc1ccc(CCC(=O)NC[C@@H]2CCCN(C(=O)c3ccno3)C2)cc1 952982570 ZCTBBSPWYGPXBZ-KRWDZBQOSA-N 355.438 2.584 0 50 FFAA CC(C)[C@H]1C(=O)N(C)CCN1C(=O)CSCc1ccccc1Cl 952988512 MOIXKFNOAPROBQ-INIZCTEOSA-N 354.903 2.898 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCC(O)(CN3CCCC3)CC2)cc1 952965151 BTAVOLGCGGFPBN-QGZVFWFLSA-N 362.539 2.925 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(O)nc(C(C)C)c2)C1 888103128 IUJYTFSYSHUCOY-ZBFHGGJFSA-N 358.442 2.853 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1cnc3cnccn13)CC2 275635904 JYDPHAROYXKKSM-MRXNPFEDSA-N 368.510 2.672 0 50 FFAA C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Cl)cn1 276270156 ONWDGZJBPBTJEJ-HIFRSBDPSA-N 357.841 2.961 0 50 FFAA Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CC(C)(C)C3(C)C)cc12 170650561 JTEWGHDWWWWTKM-LLVKDONJSA-N 362.499 2.709 0 50 FFAA CCn1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 280083928 QKMUXMTWNWUULH-DOMZBBRYSA-N 353.344 2.870 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 190465511 LXWRNYMNYGYQCH-MRXNPFEDSA-N 358.511 2.504 0 50 FFAA CCOc1ccccc1[C@@H](CC)NC(=O)Cn1ncc2c(NC)ncnc21 194428276 LNQXWJDPTYQJFU-OAHLLOKOSA-N 368.441 2.534 0 50 FFAA CN(CC(=O)N(C)Cc1ccc2nsnc2c1)Cc1ccc(F)cc1 1506414645 HLXFAGXAVSPIPB-UHFFFAOYSA-N 358.442 2.921 0 50 FFAA COc1cccc(SCC(=O)N2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)c1 212780149 UEZKSEYETZBARK-SJORKVTESA-N 372.446 2.509 0 50 FFAA CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1OC 1149235 MSLTUFNTPJJNDR-KIFNTFBYSA-N 369.215 2.815 0 50 FFAA CCN(Cc1ccccc1)C1CCN(Cc2cnc(C(=O)O)cn2)CC1 1772710420 VFORPMSJWCWPNQ-UHFFFAOYSA-N 354.454 2.661 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN([C@@H](C)COc2ccccc2)CC1 1775978720 CCODTJBDIBOMJK-INIZCTEOSA-N 371.481 2.836 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](NCc2cccc(O)c2)C1 11838263 GWOMCMZZDKKMFK-GOSISDBHSA-N 368.481 2.822 0 50 FFAA Cc1ncoc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11879375 FGTRVQMEXSLMDC-GFCCVEGCSA-N 367.327 2.533 0 50 FFAA CN(CCC1CCOCC1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 11935550 ZRLIZGRBWOVLGI-UHFFFAOYSA-N 367.453 2.696 0 50 FFAA CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1OC 12651058 YMXIFFOPMQLPSM-UHFFFAOYSA-N 362.451 2.863 0 50 FFAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](NCCC(C)C)CC2 14745474 FJBLVEKLLMUMHL-SFHVURJKSA-N 368.525 2.978 0 50 FFAA O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1C1=NCCS1 18127626 COBWRALAEORIHR-OWCVQMPJSA-N 360.438 2.981 0 50 FFAA O=c1cc(CN2CCc3[nH]nc(C4CC4)c3CC2)[nH]c2ccc(F)cc12 1857668442 KAVDWFJTOKPMIL-UHFFFAOYSA-N 352.413 2.869 0 50 FFAA O=C(Nc1c[nH]nc1[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1)C1CCCC1 331492550 GPAVNDNGTFVOOW-JSGCOSHPSA-N 374.407 2.641 0 50 FFAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 237479288 SVYQSNJWQFIFPF-VHSXEESVSA-N 354.369 2.592 0 50 FFAA O=C(c1ccncc1)N1C[C@H]2CC[C@@H](C1)N(Cc1nc3ccccc3[nH]1)C2 247887226 XKEYJOXMBHXJQV-RDJZCZTQSA-N 361.449 2.695 0 50 FFAA C[C@@H]1C[C@H]1c1nnc2ccc(=NCCCc3ccnc(C(C)(C)C)n3)[nH]n12 2325750607 JSFRIKKZXZTQPT-UKRRQHHQSA-N 365.485 2.802 0 50 FFAA Cc1cccc2c1[C@H](NCc1cnc(N3CCN(C)CC3)nc1)CCC2 2325788404 CWHJZYFJBUDKAW-LJQANCHMSA-N 351.498 2.704 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc2c(n1C)CCNC2 2325808190 CRRLHBJACHMOKP-UHFFFAOYSA-N 364.449 2.607 0 50 FFAA OCCCc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1 1458311757 ULTULVIPHCUDGV-UHFFFAOYSA-N 360.421 2.938 0 50 FFAA Nc1nccc(C2=NO[C@@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)n1 20404911 OJPVPDBQTZRESW-MRVPVSSYSA-N 372.738 2.731 0 50 FFAA COC(=O)c1cc(I)c(OC)cc1Br 40571583 ROYMHJBWWVVBGE-UHFFFAOYSA-N 370.968 2.849 0 50 FFAA COc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1 824275 RKHHUZSTZAFLLI-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COc1cc(OC)c(C(=O)N2CCC(OC(F)(F)F)CC2)cc1OC 2356142838 KCKKLROJYJSROD-UHFFFAOYSA-N 363.332 2.853 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)NCc1ccccc1 2356166451 YDIYZTRTUJFZJU-QXAKKESOSA-N 373.497 2.728 0 50 FFAA CC(C)(C)OC(=O)C(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 4009291 LLVNCNWXGASCCO-HNNXBMFYSA-N 364.364 2.748 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 4113657 SPNGIBWWEISQTN-OAHLLOKOSA-N 352.818 2.936 0 50 FFAA Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)c1 9197650 JKHWJOWDBBUEMF-CQSZACIVSA-N 352.390 2.758 0 50 FFAA CCOC(=O)c1c(NC(=O)c2cccc(-n3cnnn3)c2)sc(C)c1C 9763984 BOBKAHCDCJIRJR-UHFFFAOYSA-N 371.422 2.770 0 50 FFAA CC(C)N1CCC(N2CCN(CCCc3ccccc3)C[C@H]2CCO)CC1 104319993 OFYYMUOTCCXAHG-HSZRJFAPSA-N 373.585 2.861 0 50 FFAA O=C1C[C@@H](c2ccccc2Cn2cccn2)c2c(nc3ccccn23)CN1 65375023 QRRJUCRGPWLQPI-KRWDZBQOSA-N 357.417 2.731 0 50 FFAA CCn1nccc1C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67772311 FORIRAFURYTKIE-UHFFFAOYSA-N 364.405 2.705 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@H](C(=O)N2CCCC2)C1 67774551 MAHJGWKVLBNGPI-HNNXBMFYSA-N 352.438 2.551 0 50 FFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 220291886 HRZNNFISIIEWAQ-OAHLLOKOSA-N 355.438 2.883 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC(c4nnc5ccccn45)CC3)cnc12 65404085 JOEPPXJAJQKVTG-UHFFFAOYSA-N 374.448 2.634 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCO[C@@H](CCN)C3)c(C)o2)cc1C 67843173 HTLSBRNBMPDMCN-INIZCTEOSA-N 359.470 2.825 0 50 FFAA NC(=O)CCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67654808 LMJOOYNARDSDNN-UHFFFAOYSA-N 369.446 2.739 0 50 FFAA Cc1ccc(C2(O)CCN(Cc3cnn4c(C)cc(C)nc34)CC2)nc1 67713137 OBKLIQKDVAQPSU-UHFFFAOYSA-N 351.454 2.533 0 50 FFAA Cc1nc(NC(=O)c2ccc([C@H]3CCCN3)s2)sc1C(=O)N(C)C 23369034 TZLVFADIEHFGNR-SNVBAGLBSA-N 364.496 2.892 0 50 FFAA Cc1nc(C2CCNCC2)cc(N2CCCC[C@@H]2CCN2CCCC2=O)n1 67880803 BWOICHOUWCLQJX-GOSISDBHSA-N 371.529 2.623 0 50 FFAA C[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cc1 1388599 OAFXXDAKANEVIM-MRXNPFEDSA-N 359.875 2.777 0 50 FFAA Cc1ccc(CNC(=O)CN2c3ccccc3[C@H](C(N)=O)C[C@H]2C)cc1F 230116601 PDISJEJSQMKPPW-RHSMWYFYSA-N 369.440 2.618 0 50 FFAA O=C(CN[C@@H]1CCCc2ccc(O)cc21)N[C@H]1CCOc2ccccc21 253416020 MHXCJNOHSHSJDC-MOPGFXCFSA-N 352.434 2.999 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@H]2N(C)C)cc1 77299636 OYQKVJCNJIWUJU-PZJWPPBQSA-N 362.477 2.901 0 50 FFAA COc1cc2c(cc1CN1CCC([C@@H](O)c3nccn3C)CC1)CCC2 215949329 IZCVJLDRHCEJHU-HXUWFJFHSA-N 355.482 2.863 0 50 FFAA N[C@H](C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2)c1ccccc1 328636156 NWTIMEWIRAQCBS-MSOLQXFVSA-N 355.507 2.919 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)Cc1cccc(O)c1 77504729 JBCYRCOCQZVNQM-CYBMUJFWSA-N 358.825 2.852 0 50 FFAA Cn1cc(CNC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(F)(F)F)n1 156306784 OKAJKSUZMRZRGK-UHFFFAOYSA-N 367.306 2.694 0 50 FFAA Cc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)c[nH]1 72407448 VENZQSTVHOYGBK-AZUAARDMSA-N 352.482 2.774 0 50 FFAA Cc1c(C(=O)N2CCc3c(ncnc3N(C)C)C2)n(C)c2c(C)cccc12 72158832 JYGUEJSZVDBQFA-UHFFFAOYSA-N 363.465 2.850 0 50 FFAA CC(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 72165517 OZCCDQCCAUNVOB-FQEVSTJZSA-N 367.493 2.693 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(C(=O)O)o1 236829964 VRDSQEYBNQQJHJ-MRXNPFEDSA-N 354.362 2.558 0 50 FFAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)CCn2nnc3ccccc32)C1 77440663 KLRLGZSCNWKZHX-KRWDZBQOSA-N 362.433 2.943 0 50 FFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccccn2)no1 215144447 JOBQDMZXBZZXIZ-UHFFFAOYSA-N 357.435 2.772 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC[C@H]2CN)cs1 237738159 SSDXIOACUYWYLQ-IJDCCNJMSA-N 357.479 2.993 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)nn1 48148075 AUWDSGAMTKKHAN-UHFFFAOYSA-N 354.454 2.988 0 50 FFAA O=C(NC[C@H]1CCCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1 130148203 UFFVPTOVWYYYAZ-AWEZNQCLSA-N 367.478 2.725 0 50 FFAA COc1cccc(CC(=O)N(C)C[C@H]2Cc3ccccc3CN2C)c1OC 82135362 UWRGGBKHNIHNAC-LJQANCHMSA-N 368.477 2.761 0 50 FFAA CC1(C)C(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)C1(C)C 223893733 KUNPEBOVJZLAKF-HUUCEWRRSA-N 361.438 2.720 0 50 FFAA COc1cccc(N2CCN(C(=O)CCc3ccc(F)c(F)c3)CC2=O)c1 82096398 JTAQKXRXXVMCGM-UHFFFAOYSA-N 374.387 2.781 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)N(C)Cc3cnccn3)c12 426530620 WDBIJICYDZKSCB-UHFFFAOYSA-N 350.422 2.855 0 50 FFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1Cc1ccc(OCCO)cc1 82121648 TUXDEQUQMPBDKO-HNNXBMFYSA-N 374.868 2.948 0 50 FFAA COc1cccc(CNC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1 426408903 HCOKBLAOXLKWDR-LJQANCHMSA-N 355.438 2.981 0 50 FFAA CC(C)c1nc(C2CCN(C(=O)c3cccc4[nH]c(=O)oc34)CC2)no1 292807478 LFLUEINNIQOGER-UHFFFAOYSA-N 356.382 2.647 0 50 FFAA O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC2(CC1)[C@@H](O)C[C@H]2O 92022591 XKOFQHCVPKVIRJ-BGYRXZFFSA-N 364.445 2.997 0 50 FFAA CC(C)(C)c1ccc(OC[C@H](O)CN2CC3(CCNCC3)CCC2=O)cc1 91551072 URLQOSJUXKOVGV-GOSISDBHSA-N 374.525 2.716 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)[nH]1 91858762 JOPZDCLDEFKWOU-CQSZACIVSA-N 365.437 2.641 0 50 FFAA O=C(c1ccc(Cl)c(F)c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91410963 OYWYQOPCIIJMAV-HUUCEWRRSA-N 354.853 2.646 0 50 FFAA CCOc1ccccc1OCCCNCCS(=O)(=O)c1ccccc1 96027428 XQEULHUVMQRGCF-UHFFFAOYSA-N 363.479 2.918 0 50 FFAA Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)COC3)N2CCOCC2)o1 92164555 XUCCCGNRXHAFSG-GOSISDBHSA-N 371.437 2.813 0 50 FFAA Cc1c(CC(=O)NCCCN)c2c(n1Cc1ccc(F)cc1)CCCC2=O 95497870 KDHWQCVJRQZGAE-UHFFFAOYSA-N 371.456 2.510 0 50 FFAA CN1CCC[C@H]1CCNC(=O)N(Cc1cccnc1)Cc1cccnc1 426494332 GYWBBGXGVORWIO-IBGZPJMESA-N 353.470 2.673 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccccc1-c1ncc[nH]1 97505349 YIFLPCMJTWOLRK-UHFFFAOYSA-N 367.453 2.716 0 50 FFAA CCN(C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 91746654 FEBSLHDLVSJFHL-IBGZPJMESA-N 371.525 2.583 0 50 FFAA CC[C@@H]1CN(Cc2c(OC)cc(OC)cc2C(=O)O)CCN1C(C)C 97823654 ZMXLSLALPXNVAB-CQSZACIVSA-N 350.459 2.707 0 50 FFAA Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(Cc4ccco4)C3)cn2c1 95385421 GWNPDHBVVYKKFG-MRXNPFEDSA-N 352.438 2.764 0 50 FFAA COc1ccc(Cc2nc([C@H]3COc4ccccc4C3)n(CCO)n2)cc1 96166479 JPOOLVHHJWWKHO-QGZVFWFLSA-N 365.433 2.589 0 50 FFAA CNC(=O)c1ccc(CNC(=O)Nc2ccccc2CN2CCCCC2)o1 95512551 JWLBIIHCIXUUSD-UHFFFAOYSA-N 370.453 2.947 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC3(CCC(=O)N(C)C3)CC2)c1 91364768 IEKZAUCPMPWYCR-GOSISDBHSA-N 371.525 2.815 0 50 FFAA O=C1COc2cc(NC(=O)N3CCC(O)(c4ccccc4)CC3)ccc2N1 97360122 MMDDEGYXUOCZRR-UHFFFAOYSA-N 367.405 2.533 0 50 FFAA COc1c[nH]c(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)cc1=O 97468343 KQMCOWPDKHMBBG-GFCCVEGCSA-N 352.394 2.607 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(C)c(C)c1 239173932 OXYVJYPQGBZNLG-RPZLJYRGSA-N 364.445 2.667 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@](C)(c2ccccc2)C1 91625701 OTOIVZNWPLNJFF-NRFANRHFSA-N 353.466 2.900 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1cccc(-n3cccn3)c1)C2 91468419 RUKSOXDWAMXHPU-KRWDZBQOSA-N 363.417 2.748 0 50 FFAA O=C(NCc1cccc(OC(F)F)c1)c1cnc(-c2cccnc2)nc1O 91624610 HTOMGMIRNQACAM-UHFFFAOYSA-N 372.331 2.776 0 50 FFAA COc1ccc(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(OC)c1 91663449 DKEVKEFRFQIYHD-KRWDZBQOSA-N 374.481 2.640 0 50 FFAA OCCC[C@@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1N1CCOCC1 92004287 OVSOVOPPLKHWBK-KNQAVFIVSA-N 371.525 2.506 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NC[C@@H](C)c3nc(C)cs3)c2c1 244633090 FWJQTZBLLISINP-GFCCVEGCSA-N 359.451 2.978 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)C1(c2ccc(Cl)cc2)CC1 244633262 FZXILGXZNHBSFU-CQSZACIVSA-N 361.829 2.965 0 50 FFAA CCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1 244874618 XELZANRJVSTCFO-LLVKDONJSA-N 354.418 2.664 0 50 FFAA C[C@H]1CN([C@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 261949366 GWIWVPZTIYKNHT-SUMWQHHRSA-N 366.868 2.764 0 50 FFAA COCCn1c(=O)c(CNCCc2ccccn2)cc2cc(C)ccc21 299793998 IQRQIRWJQWYJJV-UHFFFAOYSA-N 351.450 2.684 0 50 FFAA CN(C)C1(CNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)CCOCC1 299788699 WUXUXPOLYQVUQU-QGZVFWFLSA-N 355.482 2.815 0 50 FFAA COc1ccccc1CN1CCC2(CC1)CN(C(=O)c1cc[nH]c1)CCO2 824820294 YZPXHTUNJWUJCK-UHFFFAOYSA-N 369.465 2.531 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 269195896 PTVQGFBAGLHLDZ-SECBINFHSA-N 354.193 2.726 0 50 FFAA O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCC(c2ccccn2)CC1 1875253012 HHNAFVKOQTWFAD-UHFFFAOYSA-N 352.398 2.549 0 50 FFAA C[C@@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)N1 1875278684 VPTZDIZZXFDEMI-CXAGYDPISA-N 366.421 2.728 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)c2coc(-c3ccc(F)cc3)n2)cc1 1875328571 ZGHRTGAUVYYHIM-UHFFFAOYSA-N 360.366 2.908 0 50 FFAA CSc1ccc2cc(C(=O)NC34CC(CO)(C3)OC43CCC3)[nH]c2c1 1875322060 HCIFVILIPRHUOG-UHFFFAOYSA-N 358.463 2.836 0 50 FFAA COc1cccc(CCC(=O)NC[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1 952970744 VHLSJIJNIHMZIC-KRWDZBQOSA-N 369.465 2.625 0 50 FFAA CCN1C[C@@H](c2nc(-c3ccc(F)cc3)nn2CC(F)(F)F)CC1=O 952864098 XYHCAYUDDFZOKZ-NSHDSACASA-N 356.323 2.982 0 50 FFAA COc1nc(-c2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)c2)ncc1F 1565529891 UWMLBNVSVYEOBW-CVEARBPZSA-N 370.428 2.600 0 50 FFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C 185823052 LJJJGGMVXBBTEP-INIZCTEOSA-N 356.426 2.558 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 279257337 IKRUUYJEDHSFDZ-SMDDNHRTSA-N 372.400 2.518 0 50 FFAA CN(CC(=O)N1CCC([C@H](O)c2cccs2)CC1)Cc1ccncc1 1506417301 PKSDTASDIQIZQY-IBGZPJMESA-N 359.495 2.547 0 50 FFAA COc1ccc(CCCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1615737798 YSXHESXFCLYRLZ-QUCCMNQESA-N 354.450 2.787 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(CC(=O)N3CCc4ccccc43)C1)CC2 1704339253 HCRMBRQFMPFALR-JOCHJYFZSA-N 362.477 2.654 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N[C@H](CO)C(C)C)cc1 1704307623 COIJUGPNJHYAIK-MRXNPFEDSA-N 373.453 2.697 0 50 FFAA Cc1cc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)c(C)c(CN2CCCC[C@@H]2C)c1 1772804815 VHENZQBYNJZGMW-BULFRSBZSA-N 372.553 2.710 0 50 FFAA COc1ccccc1CC(=O)N1CCCN(C(=O)CCC(F)(F)F)CC1 1772708594 CJPROQGJSCUVFQ-UHFFFAOYSA-N 372.387 2.641 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c(OC)c1 5388018 MELYEOMPYZSVPV-UHFFFAOYSA-N 371.418 2.628 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 11662799 PPLNMMRWGVEDBU-KRWDZBQOSA-N 360.502 2.730 0 50 FFAA COc1cccc(CN2C[C@@H](C(=O)NCc3ccc(C)o3)CCC2=O)c1 12073331 UZDRZUUTESZDQS-INIZCTEOSA-N 356.422 2.652 0 50 FFAA COCCCNC(=O)c1sc2ncnc(NCc3ccccn3)c2c1C 12243387 RLRHAWUDFJUVLP-UHFFFAOYSA-N 371.466 2.773 0 50 FFAA O=C(C1CC1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14755001 CLANSQBFHRZKIQ-FQEVSTJZSA-N 370.493 2.985 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 19719812 IVKTWJSGFAFABB-AWEZNQCLSA-N 373.482 2.546 0 50 FFAA O=C(c1c[nH]nc1C1CC1)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1857532375 ZQZLBPASGPAXJL-ORAYPTAESA-N 353.426 2.741 0 50 FFAA CCC(C)(C)C(=O)NC[C@H]1[C@H]2CN(C(=O)c3occc3C)C[C@]23CC[C@H]1O3 1857711814 FYCMPQPFEZAEAR-YJPQMCDFSA-N 374.481 2.760 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc(Cl)c(O)c1 1857719877 WLUNYARUWRBYLB-JTDSTZFVSA-N 372.852 2.990 0 50 FFAA Cc1nccnc1N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1857735718 HTIRNUCAVKPXDG-UHFFFAOYSA-N 374.448 2.827 0 50 FFAA C[C@H](Oc1ccccc1Cl)C(=O)N(CCC(=O)O)C1CCOCC1 328595352 SBGZNUGIWAUACL-LBPRGKRZSA-N 355.818 2.590 0 50 FFAA Cc1nccn1CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 333722110 IIXMTCCTOXXNGK-RDJZCZTQSA-N 350.825 2.546 0 50 FFAA O=C1NCCN(c2ncc(Br)cn2)[C@H]1CC1CCCCC1 333853459 OCGWVMJNCSYISZ-ZDUSSCGKSA-N 353.264 2.514 0 50 FFAA CN(Cc1cnn2ccccc12)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 497050616 UEMUXPRZIFMYOC-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA NCCCC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704312837 CGRKDXQIAGUSAJ-OAQYLSRUSA-N 350.466 2.689 0 50 FFAA C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCC[C@H]1c1nn[nH]n1 900393916 RVJIYPFCHOWRNT-ZBFHGGJFSA-N 350.426 2.782 0 50 FFAA Cc1cncc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)c3ncccc3C)C2)c1 2325786964 NZKHFLSCOMPRJA-IAGOWNOFSA-N 366.465 2.764 0 50 FFAA Cc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nnn1[C@H]1CCNC1 854136041 HGEXHHGHJPUGPD-LBPRGKRZSA-N 364.331 2.857 0 50 FFAA CC(=O)N(C)[C@@H]1CN(C(=O)Cc2ccc(C)nc2)CCc2ccccc21 2325849713 YNVIWJOZPMYGEQ-HXUWFJFHSA-N 351.450 2.537 0 50 FFAA CCCCc1oc2ccccc2c1C(=O)N1CC[C@@]2(CC(=O)NC2=O)C1 2325862690 DBPZUASMINTXEF-HXUWFJFHSA-N 354.406 2.654 0 50 FFAA C[C@@H]1CNC[C@H]1NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 926023530 BXRCUXZPLHXJDG-IAQYHMDHSA-N 373.844 2.717 0 50 FFAA Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 790062 QGWIDJRRDFUNHW-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccc(Cl)cc2)CC1 2213202 QPJDFXFWEMCEQY-UHFFFAOYSA-N 364.877 2.678 0 50 FFAA O=C(NCC1=CCCCC1)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 2356142267 LMKQGAWOWGXDJP-CDMIOBSGSA-N 365.477 2.935 0 50 FFAA O=C(NC[C@@H]1CCCO1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2815905 BIIVRBIHLVLFGW-YSKWHIJTSA-N 356.447 2.814 0 50 FFAA CC[C@H](CO)NC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccccc1 2830341 KBQXRLDUKQPMJB-ZJYZBMPFSA-N 352.434 2.653 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cn1 2356169615 DZNMWENRXFYUOK-OAQYLSRUSA-N 364.449 2.582 0 50 FFAA NC(=O)COc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1 55098868 SXYSOVIEUMJARQ-SFHVURJKSA-N 352.434 2.788 0 50 FFAA O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(F)c1 8215676 SLBGARYKNXLZCE-SFHVURJKSA-N 351.381 2.771 0 50 FFAA Cc1ccc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(C)c1 101689490 KGASUQSTBLWEAS-LAQRGFTBSA-N 367.449 2.622 0 50 FFAA CCCN(CCC)Cc1ccc(C(=O)NCc2nnc3n2CCC3)cc1 55568906 HRUXAYSVKIGTAA-UHFFFAOYSA-N 355.486 2.776 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c2c(C)nn(C)c2n1 116706536 WPYFTPKHQNZGGR-HNNXBMFYSA-N 354.410 2.700 0 50 FFAA CSc1cccc(NC(=O)Cn2nc(N3CCC(C)CC3)ccc2=O)c1 61718417 WFENPEISSCZIBD-UHFFFAOYSA-N 372.494 2.840 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 861876559 JRQIPPGEWHBRHM-UHFFFAOYSA-N 361.389 2.512 0 50 FFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCCN1CCCC1=O 65454668 VYNUNZVIVCEXTD-UHFFFAOYSA-N 364.453 2.841 0 50 FFAA NC(=O)CCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67947500 ANBTWOALMPLWDA-UHFFFAOYSA-N 374.824 2.699 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)Cc1cnc2c(C)cccn12)C(C)C 65528334 DYMWHFBZOMUBIL-UHFFFAOYSA-N 353.470 2.973 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 252494247 NPNFLBJRBCLPHU-GFCCVEGCSA-N 369.400 2.738 0 50 FFAA CC(=O)N(C)[C@H]1CCN(Cc2cccc(C(=O)Nc3cncc(C)c3)c2)C1 67740026 MJFMKUASSSYDCC-FQEVSTJZSA-N 366.465 2.695 0 50 FFAA CC[C@@H](C(=O)N1CCC(C)CC1)N(c1ccccc1F)S(C)(=O)=O 67601923 PHJNCYZLJWAWAK-HNNXBMFYSA-N 356.463 2.629 0 50 FFAA O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2556457 QEPWHIXHJNNGLU-KRWDZBQOSA-N 369.373 2.843 0 50 FFAA biogenic COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccc(OC)cc2)=NO1 5028958 MYAAKWVUKUQOOM-QGZVFWFLSA-N 354.362 2.614 0 50 FFAA COCc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 363236576 ULIAMNOMNIWJFX-INIZCTEOSA-N 355.442 2.722 0 50 FFAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 363635978 RVEZFIRAFLXSIX-FSPWUOQZSA-N 368.437 2.909 0 50 FFAA O=S(=O)(CCc1ccccc1)N1CCNC[C@H]1c1cccc(Cl)c1 261685378 KFIDMLUNFUQKIO-SFHVURJKSA-N 364.898 2.859 0 50 FFAA O=C(CCCCc1ccccc1)N1CCN([C@@H]2CN3CCC2CC3)CC1 77521775 VQUSAINPJKCOTQ-OAQYLSRUSA-N 355.526 2.638 0 50 FFAA NC(=O)c1cncc(N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)n1 71707970 HMIABQSWQKAADS-KRWDZBQOSA-N 360.417 2.828 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCO3)[C@@H](C)C1 72429565 OHDRNGXZJOTFOI-HNNXBMFYSA-N 352.434 2.981 0 50 FFAA Cc1noc([C@@]2(O)CCN(C(=O)c3cc(F)ccc3-c3ccoc3)C2)n1 365315624 OUYPUEGPSGPHSQ-GOSISDBHSA-N 357.341 2.511 0 50 FFAA COCc1nc(N[C@H]2CCCN(Cc3ccccc3)C2)c2cnn(C)c2n1 72144769 WMBZUDPPUSYVKV-INIZCTEOSA-N 366.469 2.586 0 50 FFAA Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 333057881 MOJNOSQDFZFQRY-KSZLIROESA-N 360.502 2.748 0 50 FFAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 246060356 GJOUCPODOIJHBS-SLEUVZQESA-N 353.260 2.569 0 50 FFAA C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(F)c(F)c2)C1=O 128790337 KQYCPNONLHLOKT-LJQANCHMSA-N 374.343 2.703 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2nccn21 334093576 PRTCUIGELCSEFZ-KOXOONSLSA-N 362.455 2.523 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)N1CCC[C@@H](c2ncc[nH]2)C1 77470156 JPXXFEKFPMCGDV-OAHLLOKOSA-N 366.425 2.584 0 50 FFAA COc1cc(Cl)cc(CN2CCN(C(=O)c3ccc[nH]3)CC2)c1OC 215432553 FVFYAQOJESZZGM-UHFFFAOYSA-N 363.845 2.643 0 50 FFAA OC1(Cn2ccnc2)CCN(Cc2ccccc2OC(F)(F)F)CC1 216182512 NXFWKFBJXGPKTB-UHFFFAOYSA-N 355.360 2.809 0 50 FFAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)nc2ccc(F)cc12 82120536 UTAOCYGHFAOLPK-OAQYLSRUSA-N 371.456 2.884 0 50 FFAA O=S(=O)(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 41154179 KZHQJYHTQNIVNG-UHFFFAOYSA-N 355.828 2.930 0 50 FFAA O=C(CC[C@H]1CCCOC1)Nc1cc(-n2nnnc2C2CC2)ccc1F 177882623 ZRZRPXZDHKJZNE-GFCCVEGCSA-N 359.405 2.824 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)sc1C 426537782 WDAWIUYRDHHTRS-JTQLQIEISA-N 360.439 2.825 0 50 FFAA CCC1=NO[C@H](CNC(=O)c2ccc(-c3ccc(C(=O)NC)o3)cc2)C1 426399114 YLUHIMOXWZIFIK-HNNXBMFYSA-N 355.394 2.591 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3ccc4c(c3)CCCO4)cc2C1 426487881 GNEBFJJNXQJBLM-UHFFFAOYSA-N 368.481 2.754 0 50 FFAA Cc1ncsc1CCNC(=O)N1CCC[C@H](OCc2cccnc2)C1 426661938 CDZFOYMFFOKXJV-INIZCTEOSA-N 360.483 2.780 0 50 FFAA Cc1c([C@@H](C)NC(=O)COc2ccccc2O)cnn1-c1ccccn1 91603106 LVJQFAUIDFFNBU-CYBMUJFWSA-N 352.394 2.538 0 50 FFAA C[C@@H]1CC(=O)CC[C@@H]1c1nc([C@H]2COCCN2C(=O)OC(C)(C)C)no1 239539282 AWCKIPHEFJFLCF-KWCYVHTRSA-N 365.430 2.851 0 50 FFAA O=C(c1ccc(CO)o1)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96148555 APULURLEBUDCNA-UHFFFAOYSA-N 359.332 2.639 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cn(C)nc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95378029 SKQVUKDWLIZJCN-PWRODBHTSA-N 364.493 2.739 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)C[C@H](c2ccccc2)C1=O 91434337 IOANIRKCXNCGAT-QGZVFWFLSA-N 366.465 2.668 0 50 FFAA CSCCN1CCC(NC(=O)c2cccc([C@H]3CCCNC3)c2)CC1 95369947 PZFYMDBAKYJORG-SFHVURJKSA-N 361.555 2.711 0 50 FFAA CC(C)Nc1ncc(C(=O)NCCN2CCC(c3ccccc3)CC2)cn1 96152408 JCUHRWXNXYEFTK-UHFFFAOYSA-N 367.497 2.906 0 50 FFAA CCSc1ncc(CN2CCN(C3Cc4ccccc4C3)CC2)cn1 97602525 HKIQRIDWRAJEOH-UHFFFAOYSA-N 354.523 2.874 0 50 FFAA CSc1ccccc1[C@H](C(=O)O)N1CCN(Cc2cccnc2)CC1 95363130 APHOMWXKLCJVIZ-GOSISDBHSA-N 357.479 2.747 0 50 FFAA Cc1ccccc1[C@@H](C(=O)N1CCCN(Cc2cccnc2)CC1)N(C)C 95389102 LWGIYKIJIPNIHO-NRFANRHFSA-N 366.509 2.727 0 50 FFAA CC1(C)C[C@]1(C(=O)N1CCC(O)(Cn2ccnc2)CC1)c1ccc(F)cc1 91604198 XNLWLYILAPKPIP-OAQYLSRUSA-N 371.456 2.744 0 50 FFAA Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1Cl 239254620 YNKZVSRQWTVSBC-HBRAGZAPSA-N 370.836 2.640 0 50 FFAA Cc1cccc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)c1O 95352534 SVGMIMPZPUDVIL-UHFFFAOYSA-N 370.497 2.869 0 50 FFAA Cc1c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)oc2ccccc12 95518481 RIYZCUJMZUJCTG-OAHLLOKOSA-N 363.417 2.801 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 299742456 JGMSNNHVUQHNLC-XBFCOCLRSA-N 352.228 2.876 0 50 FFAA CCOC(=O)C(=CNc1c[nH]c(C)c1C(=O)c1ccccc1)C(=O)OCC 100918452 KSQFBLPRDXRWTE-UHFFFAOYSA-N 370.405 2.976 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)CCn3cccn3)CC2)cc1 821772433 MDVORAVEHAKPJO-QGZVFWFLSA-N 368.481 2.639 0 50 FFAA CCOc1cc(C(=O)N[C@@H]2CCC[C@H](SC)C2)ccc1OCC(=O)O 268950097 PQILPCDQLDGXMG-KGLIPLIRSA-N 367.467 2.953 0 50 FFAA CCNC(=O)Nc1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1 1875264083 JWJDXTGVNFGLAF-UHFFFAOYSA-N 355.366 2.907 0 50 FFAA CC(C)c1cccc(CC(=O)N2CCOC3(CCS(=N)(=O)CC3)C2)c1 1875289024 PTSYNBUTFZKLLP-UHFFFAOYSA-N 364.511 2.791 0 50 FFAA Cc1nc2sccn2c1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 876816006 UWLHCJNBIRRDGF-MRXNPFEDSA-N 369.494 2.884 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1C(=O)N1CCC(F)(F)C1 1875397989 WIMQBFVLCKDDAP-CHWSQXEVSA-N 369.416 2.799 0 50 FFAA C[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1nc2c(s1)CCCC2 952865925 ZFLRIBRXJROXMH-NSHDSACASA-N 357.435 2.807 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2nc(Cc3cccs3)no2)c1C 952980563 RCRSHWUAUHMLAG-UHFFFAOYSA-N 358.423 2.799 0 50 FFAA N[C@H](C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCO1 888093057 DPVHOALSHRZGLJ-SJORKVTESA-N 361.829 2.759 0 50 FFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(CN2CCCCCC2)c1 1565526998 OHZWSZZCGBFBQZ-PMACEKPBSA-N 360.498 2.986 0 50 FFAA C/C=C1\CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 40972399 SJKRPUOXUNOPOP-YDAOCWKESA-N 354.450 2.518 0 50 FFAA CN(C)c1ccc(N2CCC(N3C(=O)[C@@H]4CCCCN4C3=O)CC2)cc1 170592660 JGYVGDQSHYBNCX-SFHVURJKSA-N 356.470 2.538 0 50 FFAA O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cn(Cc2ccccn2)nn1 279330724 AUXVLDKFTUSEQY-RDJZCZTQSA-N 365.412 2.927 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc3c(c1)CCO3)[C@H]2C 188813864 CFCAJIHVPRNHHY-DYLGSBMWSA-N 352.438 2.953 0 50 FFAA COc1ccc(NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1O 194367638 WWWHYZPOJOXIKP-QGZVFWFLSA-N 354.406 2.875 0 50 FFAA O=C(c1cnc2c(c1)CCCC2)N1CCCN(C(=O)c2ccco2)CC1 1506420628 NOBGWMALTPWXOZ-UHFFFAOYSA-N 353.422 2.542 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)CN1CCOc2ccccc2C1 1506412569 ZPMOIXDJZYMGBY-UHFFFAOYSA-N 368.462 2.544 0 50 FFAA CC(C)CCN1C(=O)CC[C@@H]2CN(C(=O)CCc3cccn3C)CC[C@@H]21 212017092 RHLVDJPBSGRYAN-MJGOQNOKSA-N 359.514 2.843 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N(CCN(C)C)Cc1[nH]cnc1C 1704328349 MLDOTJKSVRDLDW-UHFFFAOYSA-N 364.877 2.649 0 50 FFAA COc1ccccc1-c1ncc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)s1 1772811917 BOTPWQARDTXBEF-CJNGLKHVSA-N 357.479 2.729 0 50 FFAA CCCOc1c(CN2CCOC[C@@H](C(=O)O)C2)cc(Cl)cc1OC 1772809850 GEFMVSPCPNYVTK-ZDUSSCGKSA-N 357.834 2.670 0 50 FFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc2ncccc2c1 5421106 LQDCDPSBDPBXMX-BQFCYCMXSA-N 370.478 2.899 0 50 FFAA NC(=O)C1(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)CC1 11662773 KHOAZPKNPUFCMD-UHFFFAOYSA-N 361.401 2.645 0 50 FFAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)CCN2CCCC2=O)C1 12301066 GFIBYYBTGKEAKR-HNNXBMFYSA-N 372.513 2.916 0 50 FFAA CCN(Cc1ccncc1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 12315449 QAGKAXSSLRGQOC-UHFFFAOYSA-N 357.364 2.662 0 50 FFAA Cc1cccnc1CN(C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12318465 SUSWXLWWZXMFOM-NRFANRHFSA-N 371.456 2.515 0 50 FFAA COC(=O)CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 12386071 GUUNEZVSSWPKQH-CQSZACIVSA-N 363.364 2.597 0 50 FFAA Cc1ccc(OCCN(C)C(=O)[C@H]2CCCN(C3CCN(C)CC3)C2)cc1 12704879 MTEAYZBDTYUAEZ-IBGZPJMESA-N 373.541 2.638 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)CC3=CCCCC3)CC2=O)cc1 14963280 IVVQWRZPGQLKTL-SFHVURJKSA-N 356.466 2.845 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C2CCOCC2)cc1 15072745 UFQGQIPAKHUEFT-IBGZPJMESA-N 354.454 2.763 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(Cc4ccccc4)CC3)n[nH]c21 1857529121 XWZSRISOTRCTAP-CVEARBPZSA-N 368.481 2.780 0 50 FFAA COc1ccc(-c2nccn2C2CCN(c3ncccn3)CC2)cc1O 1857678193 DEPUKJVFGSNVFR-UHFFFAOYSA-N 351.410 2.896 0 50 FFAA Cc1nc(-c2nccn2Cc2noc(-c3c(F)cccc3F)n2)cn1C 1857735339 DJVKNZJUYQRKKL-UHFFFAOYSA-N 356.336 2.969 0 50 FFAA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(O)cc1 5238144 JNGBISSWVJKLJJ-UHFFFAOYSA-N 353.403 2.873 0 50 FFAA CN1C(=O)C[C@@H](CNCc2ccccc2OCC2CC2)[C@@H]1c1cnn(C)c1 328625286 KPKRREWCAXEGCT-LAUBAEHRSA-N 368.481 2.518 0 50 FFAA O=S(=O)(CCOCC1CCCC1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 333092582 BFBCEGSDOCCCEL-MSOLQXFVSA-N 371.543 2.804 0 50 FFAA Cn1c(O)ncc(C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)c1=O 333782369 VONHAJUTDVYCPM-INIZCTEOSA-N 353.422 2.634 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 238002560 XKSDOHVVBHPKBG-GFCCVEGCSA-N 370.243 2.931 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCCC[C@@H]2C)c1 12040582 QWVZDLHHNUGCNJ-HNNXBMFYSA-N 361.486 2.657 0 50 FFAA CCc1oc(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1C 132429299 LSEOGPAQDDDCGS-UHFFFAOYSA-N 366.421 2.625 0 50 FFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 156409164 TYYAQXAKTNZVLD-GHMZBOCLSA-N 359.239 2.553 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cncnc3C(C)C)CC2)oc1C 264811699 YAJSIUQZLKUTHX-UHFFFAOYSA-N 371.485 2.847 0 50 FFAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](CO)Cc1cnn(C)c1 390832630 IRENTXCMNBEFGN-WMZOPIPTSA-N 372.513 2.766 0 50 FFAA COc1cc(F)c(CN2CCC3(CC2)C[C@](C)(O)CCO3)cc1OC 1704308480 RWTNUCCRKLJCGJ-GOSISDBHSA-N 353.434 2.739 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2 1704307430 YXNZQYSLAUBHAB-SFHVURJKSA-N 361.442 2.593 0 50 FFAA CO[C@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O)c1ccc(O)cc1 908842960 SYUAOQMOSCDVCT-KSSFIOAISA-N 357.406 2.829 0 50 FFAA C[C@H](NC(=O)C1CCC1)C(=O)NCc1ccnc(Oc2ccccc2F)c1 2325702169 OPXKHEUYJVXZIA-ZDUSSCGKSA-N 371.412 2.934 0 50 FFAA CC(C)(C(N)=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760073 BNJSTQLEAQXLPF-UHFFFAOYSA-N 364.449 2.752 0 50 FFAA O=C1COc2c(cccc2NS(=O)(=O)c2sccc2C2CC2)N1 2325772262 JJPIDXNPQIEGST-UHFFFAOYSA-N 350.421 2.757 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CC12CCC2 2325773051 MIFDYVGKUAFJBP-ZDUSSCGKSA-N 364.243 2.784 0 50 FFAA Cc1ccc(CN[C@H]2CCN(C(=O)Cc3c[nH]c4cnccc34)C2)cc1F 2325806556 UATKEMKATUJUDS-KRWDZBQOSA-N 366.440 2.944 0 50 FFAA CC1(C)C[C@]1(CO)CNC(=O)C(=O)Nc1ccc(C2CCCCC2)cn1 2325810089 JWWNKDZYTZOSEX-HXUWFJFHSA-N 359.470 2.593 0 50 FFAA CCC(=O)N(C)CC[C@H](NC(=O)c1cccc2c1CCC(=O)N2)C(C)C 2325867894 IOHMQTPDKJAGKB-INIZCTEOSA-N 359.470 2.584 0 50 FFAA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 812900 YEWSJBRQJQZMHF-GOSISDBHSA-N 352.390 2.806 0 50 FFAA COc1ccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 829422 KFGTZDFVOVOTTI-UHFFFAOYSA-N 367.405 2.511 0 50 FFAA COc1ccccc1COn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21 1127174 ZXQOAWDZTGKWOI-UHFFFAOYSA-N 364.357 2.532 0 50 FFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356135559 JZDWKGDSURPBDO-NSHDSACASA-N 366.400 2.788 0 50 FFAA COC(=O)c1coc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)n1 2356157879 VWPONXDCFBLLQD-YYFZDKIDSA-N 356.422 2.581 0 50 FFAA O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1nc[nH]n1 4818876 ZJVXLEKVKNUNSH-UHFFFAOYSA-N 350.201 2.943 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 8477108 GBXJLAFSTKHTBX-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc(NC(=O)C2CCC2)cc1)C1CC1 55342868 KIFMNSVVMGTLPO-UHFFFAOYSA-N 352.438 2.964 0 50 FFAA O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCc1ccccc1 9483184 XWKDSCXPJRZFKB-UHFFFAOYSA-N 368.400 2.744 0 50 FFAA CCNC(=O)[C@@H](C)N1C(=O)C2(CCN([C@H](C)CC)CC2)Nc2ccccc21 55165872 LCQRYHYEIFYBSZ-HZPDHXFCSA-N 372.513 2.603 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)Nc1nc3ccccc3s1)C(=O)CO2 10820794 JGCFRJZECVUQNS-UHFFFAOYSA-N 353.403 2.969 0 50 FFAA CC1=C(C(=O)N(Cc2ccccc2)Cc2nccs2)[C@@H](C)NC(=O)N1 67818969 QYHMPAHQBXLYPR-GFCCVEGCSA-N 356.451 2.647 0 50 FFAA CCn1ncnc1CN1CCc2[nH]cnc2[C@@H]1c1c[nH]nc1-c1ccccc1 67723613 FMCPACTWNGQVOG-FQEVSTJZSA-N 374.452 2.559 0 50 FFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)CC1 20778592 IUGSLUQOHSXIEP-SFHVURJKSA-N 370.497 2.906 0 50 FFAA OCC[C@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1C1CCCCC1 22919344 JVAYHJZRKAVTNC-IBGZPJMESA-N 370.497 2.938 0 50 FFAA CC1(C)CN(C(=O)[C@@]2(O)CCOC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 331566335 JWVLWWBEVGGLRA-WMLDXEAASA-N 373.371 2.535 0 50 FFAA COc1ccc(CCNC(=O)CS[C@@H]2OC(=O)c3ccccc32)cc1 170625394 XZXHFBGKPXQDKT-IBGZPJMESA-N 357.431 2.956 0 50 FFAA Cn1ncc(Cl)c1C(=O)N1CCN(Cc2ccccc2Cl)CC1 20427450 YCXXSXDEZHEOPZ-UHFFFAOYSA-N 353.253 2.685 0 50 FFAA CCCCOCC(=O)N1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 72420418 IUCJPMLMLZVUMT-KRWDZBQOSA-N 360.502 2.908 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC2(CCNCC2)CC1 71730529 JHERQNKAQAQQGH-UHFFFAOYSA-N 351.454 2.826 0 50 FFAA Cc1ccc2nc(CN3CCc4nc[nH]c4C34CCN(C)CC4)[nH]c2c1C 65385458 RVQGCOVZZWHJOW-UHFFFAOYSA-N 364.497 2.882 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1-c1nc(C2CC2)nn1-c1ccccc1 65382255 BGGROGHFIMNYIT-UHFFFAOYSA-N 354.435 2.768 0 50 FFAA CC[C@@H](C)Oc1ccc(CN2CCC3(CC2)NCCNC3=O)cc1Cl 67946740 BGFBRYYSBURCFD-CQSZACIVSA-N 365.905 2.571 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4nc[nH]c4c3)cnn2c1 67846805 DWYQZQIGKOVHEZ-UHFFFAOYSA-N 363.425 2.700 0 50 FFAA CCOC(=O)c1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)n(C)n1 12410705 TUVUALHCFPVETR-UHFFFAOYSA-N 373.800 2.688 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)c2ccc(N3CCOCC3)c(C)c2)n1 219267151 AKRBLCWGLRBEQV-UHFFFAOYSA-N 370.497 2.807 0 50 FFAA O=C(CN1CCCC1)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72410340 SYZLJLPGVWYPRJ-JOCHJYFZSA-N 369.509 2.514 0 50 FFAA CC[C@H](SC)C(=O)N1CCC[C@@H](N(CC)Cc2noc(C)n2)CC1 328633142 LTKDMAZGUMRUIG-CABCVRRESA-N 354.520 2.723 0 50 FFAA CCc1ncnc(N(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)c1F 328617683 CZSHBHCSAFBEON-KBXCAEBGSA-N 360.481 2.821 0 50 FFAA O=C1[C@@H](N2CCC[C@H]2c2nc3c([nH]2)CCCC3)CCN1CC(F)(F)F 328656284 ZFUIMXOWFYGVLJ-KBPBESRZSA-N 356.392 2.589 0 50 FFAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(Br)ccc2o1 122892544 KMMZXABKOMIYSV-GFCCVEGCSA-N 365.227 2.936 0 50 FFAA COc1ccc(Cn2cc(-c3nc(-c4ccc5nc[nH]c5c4)no3)nn2)cc1 72131924 AFJWFJBVAURBNN-UHFFFAOYSA-N 373.376 2.928 0 50 FFAA CN(C)CCOC1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72407340 BBNYYMBTDFWWTI-UHFFFAOYSA-N 362.514 2.573 0 50 FFAA O=C(COC[C@@H]1CCCO1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72420053 JWQVXCXERYKQQB-HNNXBMFYSA-N 361.417 2.604 0 50 FFAA COCCCN1CCN(C(=O)c2cc(C)nc3cc(Cl)ccc23)CC1 215336757 LFQMMZCZGHKENN-UHFFFAOYSA-N 361.873 2.991 0 50 FFAA Cc1ccc2c(C(=O)N[C@@H]3CCCC[C@H]3NS(C)(=O)=O)csc2c1 332286831 IQUCBPCRQPFMPS-HUUCEWRRSA-N 366.508 2.800 0 50 FFAA Cc1nn(-c2ccc(C(=O)N(C)CC(F)F)cc2)c(C)c1CCC(=O)O 262045205 AWZDYSSAYKNALT-UHFFFAOYSA-N 365.380 2.843 0 50 FFAA CC[C@H]1CN(c2ncnc3c2CCC3)CCC(=O)N1Cc1ccccc1 71757108 PNKCQUJYSRKELH-KRWDZBQOSA-N 350.466 2.983 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]([C@H](C)CC)C(F)(F)F)CC2 373157601 COUXRNXAQAJMCQ-XJFOESAGSA-N 366.424 2.925 0 50 FFAA O=C(C[C@H]1COCCN1)Nc1ccc(SCCc2ccccn2)cc1 72134387 WDLMYZWPGNEYTJ-KRWDZBQOSA-N 357.479 2.733 0 50 FFAA CC[C@@](C)(NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)O 262506292 ZYQGNZCRMXBVBX-HXUWFJFHSA-N 354.406 2.946 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 17075900 QJYMVHPWVBCBQO-PCHAPFSGSA-N 370.449 2.998 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCCCCN3C)CC2)OC1=O 77407762 YXGPNZLKSSKEQM-QGZVFWFLSA-N 365.518 2.720 0 50 FFAA CC(C)CO[C@H]1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 177142465 IYSFRXWNQVZJAE-AWEZNQCLSA-N 366.845 2.912 0 50 FFAA CCCNC(=O)c1ccc(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc1 289170048 VAKFXWBAEXQRSS-NRFANRHFSA-N 371.456 2.792 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 289120257 HCHATWNOBLEAIY-IUODEOHRSA-N 369.473 2.823 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cc(-c3ccccc3)on1)C2 220021403 LIOQHWLYLLJULX-QGZVFWFLSA-N 352.394 2.638 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(C(=O)NCc3nccs3)CC2)cc1 177416403 CHTDWBUQSLZGDI-UHFFFAOYSA-N 372.494 2.690 0 50 FFAA O=C(NCc1cccnc1)N(CCOc1ccccc1)C[C@H]1CCCO1 426683914 PFJFGUJKBPQESU-LJQANCHMSA-N 355.438 2.851 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)NCc2ccc3c(c2)CC(C)(C)O3)c1C 221447906 XAYDHFWRICNXEM-UHFFFAOYSA-N 355.438 2.732 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)c1csc(-c2cccs2)n1 82100065 MVUOSVILKQVYSD-UHFFFAOYSA-N 362.480 2.894 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)NC[C@@H]1CCCN(c2ccccn2)C1 223765083 SQZOQEXBOMNGBK-INIZCTEOSA-N 363.465 2.923 0 50 FFAA Nc1ncc(-c2cccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)c2)cn1 426580624 BAKOTZCGUSXXIC-LJQANCHMSA-N 365.481 2.816 0 50 FFAA COCC[C@H]1CCCCN1C(=O)c1ccc(-c2c(C)nc(O)nc2O)cc1 426581286 PQGQOQAJJLWCTE-MRXNPFEDSA-N 371.437 2.894 0 50 FFAA COCc1cc(CNC(=O)N2CCC3(CCc4ccccc43)CC2)[nH]n1 426589112 SDCLDKCWHWYBDF-UHFFFAOYSA-N 354.454 2.746 0 50 FFAA COc1ccc(CN2CCN(C)[C@@]3(CCNC(=O)CC3)C2)c2ccccc12 91655917 XURYVKMCBUTHTB-QFIPXVFZSA-N 367.493 2.635 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2)cs1 95354915 LJVASJQVSXBZBJ-AWEZNQCLSA-N 361.515 2.677 0 50 FFAA Cc1nn(CCO)cc1CN1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 91951290 DLQLJAMRQLSLKC-NRFANRHFSA-N 371.481 2.757 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(CCO)Cc2ccccc2)cn1 91664591 PKBAZUMARDZACL-UHFFFAOYSA-N 351.406 2.516 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)Nc2cc(-c3nnn(C)n3)ccc2C)no1 97784754 CPRZBVBKNVZGJS-MRXNPFEDSA-N 367.413 2.851 0 50 FFAA CCNc1ncc(C(=O)N[C@@H](c2ccncc2)c2ccc(OC)cc2)cn1 92020502 MMZSVEZXOVKUGY-GOSISDBHSA-N 363.421 2.831 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)Cc1ccc3[nH]c(C)nc3c1)C2 95524991 KXCUNCGJESRWMT-OAHLLOKOSA-N 365.433 2.790 0 50 FFAA COc1cc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)ccc1F 91536994 OBSSPKUHPFBLDN-SJLPKXTDSA-N 369.440 2.966 0 50 FFAA Cc1cnn(CC(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)c1 95381090 FWUWFSVCTKGWAR-HXUWFJFHSA-N 366.509 2.920 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1c(OC)cccc1OC)CC2 91644481 JVKGKSMEWZDJMR-UHFFFAOYSA-N 360.454 2.569 0 50 FFAA O=C(NCCSCc1ccccc1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 97436769 IFGLYBFBOHEZRC-MRXNPFEDSA-N 370.474 2.795 0 50 FFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(N2CCCC2)cc1 244874675 XFLOOHDOYMBLIJ-YVWKXTFCSA-N 351.450 2.924 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3F)CC2)no1 244723520 MDBVWGASDSANDM-NSHDSACASA-N 365.380 2.905 0 50 FFAA COc1ccccc1OC1CCN(CC(=O)NCc2cccs2)CC1 244828610 TZIGGRLLEKPRMB-UHFFFAOYSA-N 360.479 2.916 0 50 FFAA Cc1ccc(CS(=O)(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1F 184211074 PIAZPXXIALNUHL-QGZVFWFLSA-N 351.447 2.707 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 252536018 HLOHOASDHFVPRW-PTSWNOGYSA-N 353.397 2.804 0 50 FFAA C[C@H](c1cnccn1)S(=O)(=O)Cc1nn(-c2ccccc2)c2c1CCC2 185197480 HLAWBVUZILIWKT-CQSZACIVSA-N 368.462 2.827 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 534662689 DKLPCASMNKQPNN-KRWDZBQOSA-N 367.497 2.704 0 50 FFAA Cc1nccn1CC1(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 534633511 QVSFAPBWYNWRRG-SFHVURJKSA-N 354.454 2.835 0 50 FFAA C[C@@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1ccc(-n2cncn2)cc1 299797850 QOOIELUEJFPDGG-CQSZACIVSA-N 364.453 2.679 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCC(Oc2ccncc2)CC1 299768239 JFXHGFZDPCWGPB-UHFFFAOYSA-N 355.438 2.954 0 50 FFAA O=C(O)C12CCC(NS(=O)(=O)c3ccc(OC4CC4)cc3)(CC1)CC2 1875311035 KRLJMZOOUVQJPO-UHFFFAOYSA-N 365.451 2.684 0 50 FFAA NC[C@@H](NC(=O)[C@@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875372688 KVJQCGRRZVKCMO-UXHICEINSA-N 367.449 2.527 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc3sc(C)nc3cc2OC)CC1 1875371141 QMFQECVJYORVID-UHFFFAOYSA-N 359.451 2.976 0 50 FFAA CC1=C(C(=O)NS(=O)(=O)[C@H]2CCCc3ccccc32)SCCO1 1875317298 UETSMJQMGOHBHH-AWEZNQCLSA-N 353.465 2.505 0 50 FFAA CC(C)C[N@]1C[C@H]1COc1ccc(-c2noc(-c3cnn(C)c3)n2)cc1 1875385312 QTEBOMCOFYFURV-UPCLLVRISA-N 353.426 2.856 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)CC1 1875363419 DIELIVRWJUVCIU-UHFFFAOYSA-N 368.433 2.939 0 50 FFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)NCc1cccnc1 1875389320 JWDDFEKWLMLFAT-VQTJNVASSA-N 359.429 2.771 0 50 FFAA Cc1ncc(CN2CC(NC(=O)N(C)[C@@H]3Cc4ccccc4[C@@H]3C)C2)o1 1875323197 BBMUEUHTODFJIS-ORAYPTAESA-N 354.454 2.537 0 50 FFAA CC(C)(C)c1nc(C(=O)N2CC3(CN(C(=O)C[C@H]4CC4(C)C)C3)C2)co1 1875407416 ZJQHAZZKNQPGSU-ZDUSSCGKSA-N 359.470 2.693 0 50 FFAA O=C(N[C@H](C[C@@H]1CCCCN1)C(F)(F)F)c1conc1[C@H]1CCCO1 1875404843 XZFWYGJHENXIPS-CYZMBNFOSA-N 361.364 2.719 0 50 FFAA C[C@]1(NC(=O)[C@@H]2C[C@@H]3CCC[C@H]32)CCN(c2nc(Cl)ncc2F)C1 1875405562 JSLJDORFWJZKRU-AEMSQSNESA-N 352.841 2.790 0 50 FFAA Cc1nc(-c2ccc(NC(=O)CN3CCOc4ccccc4C3)cc2)n[nH]1 952991452 SATLURVMJQILLB-UHFFFAOYSA-N 363.421 2.613 0 50 FFAA CCNc1nc(C)c(C(=O)N2CCCN(c3ccnc(C)c3)CC2)s1 952981473 YSROHULCJRQSCB-UHFFFAOYSA-N 359.499 2.939 0 50 FFAA COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[C@]2(c2nc(C)no2)C1 888098714 TZBAEXNCSYTALV-LIRRHRJNSA-N 359.401 2.649 0 50 FFAA CCN1C(=O)C[C@@H](CNCc2cccc(COC)c2)[C@@H]1c1cccnc1 886035002 LYZMSUOMNKLEEJ-FPOVZHCZSA-N 353.466 2.927 0 50 FFAA O=C(O)c1ccccc1CN1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565510640 GIYXGSSBECEJGV-MJGOQNOKSA-N 351.450 2.876 0 50 FFAA CC1CCC(N2C[C@H](C(=O)O[C@@H](c3ncccn3)C3CC3)CC2=O)CC1 170609297 YTMOMYSPEAWXJO-ZUTYODEGSA-N 357.454 2.898 0 50 FFAA C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[C@H](CNc2ccccn2)C1 171644308 VBYUEWHEBQZZGO-DOTOQJQBSA-N 356.445 2.659 0 50 FFAA C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1nnnn1C 189791013 GJVOEDNNGGENBR-GFCCVEGCSA-N 369.391 2.628 0 50 FFAA Cc1ccc(CCC(=O)NCC(=O)N2CC(C)(C)OC3(CCCC3)C2)cc1 189952039 DFGNADVRMPKXAQ-UHFFFAOYSA-N 372.509 2.994 0 50 FFAA CCc1nc(C2CCN(C(=O)c3cccnc3OCC(C)C)CC2)n[nH]1 191495305 MXXOSJGZCPCPEL-UHFFFAOYSA-N 357.458 2.817 0 50 FFAA CCN1CCc2nc3ccccc3c(C(=O)NCC3CCOCC3)c2C1 194665396 CXCOMXXMKFYHAS-UHFFFAOYSA-N 353.466 2.769 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](N)C2)cnn1-c1cccc(C(F)(F)F)c1 195116512 SMSJRWFCLQXQMQ-ZDUSSCGKSA-N 352.360 2.763 0 50 FFAA Cn1nc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1OC(F)F 767090248 BRVOIWXSJQQJBJ-UHFFFAOYSA-N 369.328 2.931 0 50 FFAA COc1ccc([C@@H]2[C@@H](C(=O)NC(C)(C)C(C)C)OCC(=O)N2C2CC2)cc1 1529199124 UWJCWVPUBCBJKR-MOPGFXCFSA-N 374.481 2.677 0 50 FFAA Cc1nccn1CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529172384 GDBPGNOGLMKONN-XLIONFOSSA-N 364.449 2.504 0 50 FFAA CC1=C(CN2C[C@H]3CN(c4nncs4)C[C@]3(CO)C2)C(C)(C)CCC1 1772809557 ADBKETCUXAESST-KXBFYZLASA-N 362.543 2.795 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ccc(F)cc3)CC2)C1 11700969 BIEGCSGTTHFZMR-QGZVFWFLSA-N 359.489 2.781 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCc1cccnc1 11821842 JWEOHXLRHOTFNK-UHFFFAOYSA-N 372.557 2.669 0 50 FFAA CCN(CC)C(=O)c1c(CC2CCCC2)n(CCN(C)C)c(C)cc1=O 12278750 NHORNYOKLUJHIS-UHFFFAOYSA-N 361.530 2.933 0 50 FFAA COc1ccccc1CCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12715006 HFODZJJDKMHABB-QGZVFWFLSA-N 358.482 2.925 0 50 FFAA O=C(NC1CCCC1)c1cn([C@H]2CCCN(Cc3ccsc3)C2)nn1 15007127 BKRDUJKSSFWTSN-INIZCTEOSA-N 359.499 2.849 0 50 FFAA CC[C@H](C)c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@H]2CCOC2)C3)no1 19221499 LTGFIEWYZYFSPH-JSGCOSHPSA-N 370.453 2.875 0 50 FFAA C[C@H]1C[C@@H](C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)O[C@@H]1C(=O)O 1857532869 IZGLHBPFUFUVPA-BIMQEMHKSA-N 357.381 2.910 0 50 FFAA Cc1c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)nc2ccccn12 1857670782 CDKJIGRSBQSYHS-HXUWFJFHSA-N 374.488 2.958 0 50 FFAA Cc1ccc2ncccc2c1-c1nccn1CCN1CCC[C@@H](C(N)=O)C1 1857685037 AOZBCLNDUTWHGH-MRXNPFEDSA-N 363.465 2.604 0 50 FFAA O=C(c1ccccn1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857700778 LNJAQWGVCCOZKF-IEBWSBKVSA-N 352.434 2.969 0 50 FFAA COCCn1c(C)cc2cc(NC(=O)[C@H]3CC[C@H]4OCCN[C@@H]4C3)ccc21 1857728888 QCCZAASTFZDGFA-QKYXUNIQSA-N 371.481 2.692 0 50 FFAA Cc1nnc(CN2CCC(C3CCN(C(=O)c4ccccn4)CC3)CC2)o1 1875245566 GBNFRQFRFPNBQK-UHFFFAOYSA-N 369.469 2.537 0 50 FFAA Cc1cn(C)nc1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 331723955 LYYJNMUDULWFFS-DZGCQCFKSA-N 354.237 2.766 0 50 FFAA O=C(O)c1ccc(F)c(NC(=O)c2nc(N3CCCC3)ncc2Cl)c1 238163487 QKJMQQDZQDDYMJ-UHFFFAOYSA-N 364.764 2.820 0 50 FFAA COc1cccc([C@H]2CN(Cc3cnc(NC(C)C)nc3)C[C@@H]2C(=O)O)c1 248018693 UCQFHCAHMSAKAT-MSOLQXFVSA-N 370.453 2.606 0 50 FFAA COc1ccc(Nc2ccccc2C(=O)N2CCNC(=O)C[C@@H]2C)cc1 371049986 SUMOKMZLFUCTEP-AWEZNQCLSA-N 353.422 2.789 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N2CCc3n[nH]cc3C2)C[C@H]1NC1CCCC1 2100483642 DHPVHCBBUNZPEE-CWFSZBLJSA-N 374.529 2.791 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C(=O)O)cc1 2325775147 AVCQCVSWTIAUPL-DLBZAZTESA-N 354.406 2.647 0 50 FFAA Cc1cc(Br)c(F)cc1[C@H](C)NC[C@@H]1CCC(=O)NC1=O 2325802220 QUUUCCXNCAMGBB-UWVGGRQHSA-N 357.223 2.600 0 50 FFAA CC(=O)N1CCCN(C(=O)c2c(C)nn3c2CCCC3)c2ccccc21 2325805463 KJEQMMSSRVERPR-UHFFFAOYSA-N 352.438 2.931 0 50 FFAA O=S(=O)(c1ccc(-n2cccc2)cc1)N1CCC(c2nncs2)CC1 2325809868 VYDMEDLYYJVQPP-UHFFFAOYSA-N 374.491 2.897 0 50 FFAA CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1)C(C)(F)F 2325842697 FXXVTMCRYRGCIR-NEPJUHHUSA-N 356.417 2.545 0 50 FFAA CC1(C)CNC[C@H](CNC(=O)c2c[nH]c3ncc(Br)cc23)C1 2325854708 QXOCRPDPNRUCIF-SNVBAGLBSA-N 365.275 2.691 0 50 FFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc1 862530 OZPUQXCULVZENE-SFHVURJKSA-N 367.405 2.970 0 50 FFAA O=C1NCCC[C@]12CCCN2Cc1cccc(OCc2ccccn2)c1 2356152169 RSTYPZAUJFBTQD-NRFANRHFSA-N 351.450 2.905 0 50 FFAA Cc1nc(CN2CCC[C@]23CCCN([C@H]2CC[C@H](O)CC2)C3=O)cs1 2356167499 ZRLXETJAKYBVLF-ZHALLVOQSA-N 363.527 2.712 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1Cl)NC1CCCCC1 4539576 HNFZGDYMKLWMAZ-UHFFFAOYSA-N 351.863 2.857 0 50 FFAA COc1ccc(CCNC(=O)C(=O)Nc2cccc(C)c2C)cc1OC 4724950 VUFGUDSDFUTUJA-UHFFFAOYSA-N 356.422 2.618 0 50 FFAA Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10325230 KGVHSCJSGPSKEF-UHFFFAOYSA-N 367.515 2.575 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCCN(Cc2cccs2)CC1 50575838 LPGWTWCUXRHVRQ-UHFFFAOYSA-N 354.479 2.901 0 50 FFAA COc1cccc(CN2CCN(c3nc4ccccc4o3)C[C@H]2CCO)c1 107005708 KOJYEJKSWQLVJO-QGZVFWFLSA-N 367.449 2.910 0 50 FFAA CN1CC[C@@H](O)[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 20201822 NLJZXKUGBFALSU-QRVBRYPASA-N 358.869 2.858 0 50 FFAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cc(COc2ccccc2)[nH]n1 67975339 WZQMIMWOBJQWCZ-ZDUSSCGKSA-N 354.414 2.652 0 50 FFAA Cc1c(C(=O)N(C)Cc2cc(Cl)cn2C)cnn1C1CCOCC1 119819340 MKERCZUSMOWPLY-UHFFFAOYSA-N 350.850 2.807 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NC[C@]1(O)CCCC(C)(C)C1 332364012 SXJZGWMGAZPAEP-SFHVURJKSA-N 360.483 2.970 0 50 FFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 427703656 AIJFAHPKIQOYGL-JEBQAFNWSA-N 357.381 2.920 0 50 FFAA CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)O)cs2)cc1 236869246 LIIVBWVPBKELKX-OAHLLOKOSA-N 360.435 2.827 0 50 FFAA COCc1ccc(NC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 252481647 CPYZTAKILQYYNL-UHFFFAOYSA-N 369.465 2.987 0 50 FFAA Cc1noc([C@H](Nc2cnc3cc(F)c(F)cc3n2)C2CCOCC2)n1 328609012 BXMKAMLTMKFEFK-MRXNPFEDSA-N 361.352 3.179 0 50 FFAA C[C@]1(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CCCO1 123115779 ZNILYACICHWHSP-HXUWFJFHSA-N 350.422 2.779 0 50 FFAA Cc1nc(C)c(CN2CC[C@H](C3CCN(c4ncccn4)CC3)C2)nc1C 12073437 KEXUHQLMGVXRFM-IBGZPJMESA-N 366.513 2.930 0 50 FFAA CCCc1ncncc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 215165458 KDNDHCFUBAKZET-UHFFFAOYSA-N 365.437 2.549 0 50 FFAA CCn1cccc(CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1=O 434275152 GOSGQYCYKGNLQD-VQIMIIECSA-N 369.465 2.835 0 50 FFAA CN(CC(=O)N1CCC[C@H](C(=O)c2ccccc2)C1)Cc1ccccn1 77438084 IXRDMEMRPBLBLK-SFHVURJKSA-N 351.450 2.635 0 50 FFAA O=C(c1cccc([C@@H]2CCNC2)c1)N1CCN(Cc2cccc(F)c2)CC1 72475923 NTQVJHYMELVTGS-HXUWFJFHSA-N 367.468 2.861 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(CO)cc2)CCC(=O)N1Cc1ccccc1 71747840 NCKJHUNIBIYJBO-HXUWFJFHSA-N 366.461 2.832 0 50 FFAA CCNC(=O)c1ccc(CNC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1 363689830 ORUQSJBLYNDVLH-GOSISDBHSA-N 366.465 2.606 0 50 FFAA Cc1csc([C@@H]2CN(C(=O)N[C@H](C)c3cncc(F)c3)CCO2)n1 332104605 FUMOMNJVXLCJJD-RISCZKNCSA-N 350.419 2.830 0 50 FFAA COCCN1CCC(c2c(C#N)c(N)nc3c2SCCSC3)CC1 71745986 SDWVVIQLFUBIKS-UHFFFAOYSA-N 364.540 2.700 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)N2CCC(N(C)C)CC2)c1 378399999 JDNIVWCKSJMKFQ-HXUWFJFHSA-N 371.525 2.851 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cccc2cccnc12 238104986 LLNTUQXXGFKTJB-KBOKABMXSA-N 354.406 2.730 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1c[nH]nc1-c1ccccc1)CO2 219330129 JCEGJNRHNUUGDO-MRXNPFEDSA-N 363.417 2.953 0 50 FFAA Cc1ccccc1CN1CCOC[C@H]1CC(=O)NC1Cc2ccccc2C1 72477236 ZGBSEIZNHXLABZ-JOCHJYFZSA-N 364.489 2.870 0 50 FFAA C[C@H]1CCc2n[nH]c(C(=O)N(C)Cc3cc(-c4cccnc4)no3)c2C1 77428558 CMWSGGGYAWURLG-LBPRGKRZSA-N 351.410 2.857 0 50 FFAA CCCOCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 72164586 LCOCJOGWHJKYBK-GOSISDBHSA-N 364.461 2.838 0 50 FFAA C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CNS(C)(=O)=O)CC1 285564023 VQTMBORKZSAJJR-LBPRGKRZSA-N 362.442 2.610 0 50 FFAA O=C(NCCc1csc(-c2cccnc2)n1)c1c[nH]c(=O)c(Cl)c1 223085640 KJTDCGNJNLKOOE-UHFFFAOYSA-N 360.826 2.519 0 50 FFAA CN(CC(=O)N1CCC(OCc2cccnc2)CC1)Cc1ccccc1F 222688268 BQQXKQMOZQCKTL-UHFFFAOYSA-N 371.456 2.860 0 50 FFAA CSc1cccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 426691145 GITGTXPEJNGEHW-MRXNPFEDSA-N 351.516 2.661 0 50 FFAA CN(C)Cc1ccc(CSCCN[C@@H]2CCOC3(CCOCC3)C2)o1 82134323 KVTSVTLSSBSQBX-MRXNPFEDSA-N 368.543 2.892 0 50 FFAA CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)c3nnc4n3CCCCC4)C2)C1 19642550 DUJYJJKCQQWQIP-OAQYLSRUSA-N 373.545 2.979 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CCN)C3)cc2)c(C)c1 426727553 WCWGFWXLYILQOG-IBGZPJMESA-N 354.450 2.860 0 50 FFAA O=C1[C@H]2CC[C@H](CN(Cc3cnn(-c4ccccc4F)c3)C2)N1CC1CC1 95372820 BMAROFZTSNTHIQ-ZWKOTPCHSA-N 368.456 2.844 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccc(F)c1)CC2 91487148 MXCTXBVSFUNCSI-UHFFFAOYSA-N 368.456 2.835 0 50 FFAA CSCCc1nc([C@@H](C)n2ccnc2)n(-c2ccc3c(c2)OCO3)n1 95516450 TXWSTGGNGFZTOA-GFCCVEGCSA-N 357.439 2.707 0 50 FFAA C[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1nncn1C1CCCC1 95385916 UGFOKDXCXSYSEO-CYBMUJFWSA-N 363.425 2.736 0 50 FFAA O=C(CCC1CCN(C(=O)c2ccnnc2)CC1)NCc1ccc(F)cc1 95517218 JZPICMSHJNQVST-UHFFFAOYSA-N 370.428 2.565 0 50 FFAA CSc1nccc(N2CCC(NCCc3nc4ccccc4[nH]3)CC2)n1 95387797 WPRDQKUJAOXRBK-UHFFFAOYSA-N 368.510 2.876 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91487044 YAVOJGAQXWGFNK-SFHVURJKSA-N 361.449 2.670 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCN(Cc2ccoc2)[C@@H](CCO)C1 97772754 HUMKKJYULRKPDO-INIZCTEOSA-N 371.462 2.598 0 50 FFAA O=C([C@H](O)c1ccccc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91621187 XFNNAXVXFMCWFD-HXUWFJFHSA-N 370.493 2.894 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(S(=O)(=O)c1cc3ccccc3s1)C2 91473921 JMSXRJYEHUKHMW-DZGCQCFKSA-N 364.492 2.533 0 50 FFAA O=C(NCCc1ccccc1)C1CCN(CCn2cc(Cl)cn2)CC1 244584411 CYVUUUAFSVDRAE-UHFFFAOYSA-N 360.889 2.607 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc(O)ccc1F 244691729 JICZJNOJFOIPLW-OHNRDTAOSA-N 357.381 2.708 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCC[C@H]1N)c1cc2c(cc1Br)OCCO2 299739845 RYBCAXXGVJLTJT-OPQQBVKSSA-N 369.259 2.525 0 50 FFAA NC(=O)c1ccc(C(=O)NCc2ccc(CN3CCCCCC3)cc2)o1 269489477 NXOHJESMQNHDHM-UHFFFAOYSA-N 355.438 2.685 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cc3c(nc2O)CCC3)C1 299764804 LVLYDRDJTGZRMC-QGZVFWFLSA-N 365.477 2.804 0 50 FFAA CC(C)c1nc(CCNC(=O)Nc2ccnn2Cc2cccs2)no1 299780781 BEQJQZVONMSNBA-UHFFFAOYSA-N 360.443 2.864 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)c2cccc(-c3nccs3)c2)CC1 299796077 NJTZAWXIRGLWAR-UHFFFAOYSA-N 367.478 2.502 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3[nH]cnc3-c3ccccc3)[C@H]2C1 299770549 VHMQCJGXKREEAZ-TWOQFEAHSA-N 355.438 2.875 0 50 FFAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1ccn(C(F)F)n1 299782562 NGEQGWQYCRLUGO-HNNXBMFYSA-N 352.360 2.984 0 50 FFAA CCCN1CC[C@@H](NC(=O)N2CCN(c3nsc4ccccc34)CC2)C1 670437071 JLCDFIJDQJPMFK-OAHLLOKOSA-N 373.526 2.612 0 50 FFAA O=C(Nc1ccc2nncn2c1)c1cc(F)cnc1NC1CC(F)(F)C1 1875323524 KSZYWWFJXFWASE-UHFFFAOYSA-N 362.315 2.725 0 50 FFAA Cc1nn(C)c(N)c1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C 952845223 LJVILTKRYRLDHS-QGZVFWFLSA-N 369.513 2.514 0 50 FFAA Cn1ccc(-c2nc(Cc3n[nH]c4c3CCCC4)n(C3CCCC3)n2)n1 1875348825 DFYLUXABCVZYPC-UHFFFAOYSA-N 351.458 2.986 0 50 FFAA N[C@H]1CCC12CCN(C(=O)C1(Cc3ccc(F)cc3)CCOCC1)CC2 1875315828 JHQIOWJDKFBBKM-SFHVURJKSA-N 360.473 2.895 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3noc4c3CCCC4)C2)ccn1 886050420 NKIHLXSMDPIJCL-QGZVFWFLSA-N 356.470 2.663 0 50 FFAA CCc1noc(C2CCC(N[C@H]3CCCO[C@@H]3c3cnn(C)c3)CC2)n1 275460643 HCTLAIYVKDABQL-JMRUKAPWSA-N 359.474 2.902 0 50 FFAA O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@H](c2cccc(F)c2)C1 170779884 RWVLDHAPLOPYBT-HOCLYGCPSA-N 374.378 3.000 0 50 FFAA O=C(NCc1cc(Cl)cc2c1OCC2)N[C@H]1c2ccccc2C[C@H]1O 186836637 MPVMZFJKMBOQHM-SJORKVTESA-N 358.825 2.732 0 50 FFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529172111 IVZZJERSNOSQLV-UYAOXDASSA-N 365.477 2.787 0 50 FFAA CCC1(CC)CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)C1 1529100281 PUIFFNXQGYGWTE-MOPGFXCFSA-N 358.482 2.932 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1704353811 SMGRLPFWSWKCBU-UXHICEINSA-N 368.477 2.773 0 50 FFAA CNc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cs1 216502766 ONEWQWNJCVYLIY-CVEARBPZSA-N 356.495 2.921 0 50 FFAA O=C(NCCN1CCCC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772816871 VWDQPHHJTOOTPB-HNNXBMFYSA-N 356.495 2.522 0 50 FFAA COCCN1CC[C@H](CNCc2c[nH]nc2-c2cc3ccccc3o2)C1 11936536 XHVCFEJSKVVIEX-OAHLLOKOSA-N 354.454 2.881 0 50 FFAA CN(CCOc1ccccc1)C(=O)c1cn(Cc2ccccc2F)nn1 12437745 BBMJHGAMSOIMEJ-UHFFFAOYSA-N 354.385 2.617 0 50 FFAA CC(C)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 12580355 SNULGPFYHROLSH-UHFFFAOYSA-N 356.426 2.909 0 50 FFAA CC(C)c1nc(CNC(=O)[C@@H]2CCCN(C3CCN(C)CC3)C2)cs1 15077030 KQKKSUNCSDNCQX-OAHLLOKOSA-N 364.559 2.689 0 50 FFAA O=C(NCc1cccc(C(F)(F)F)c1)c1ncoc1[C@H]1[C@H]2CN[C@H]1C2 1857531951 MNPAECQRNFBMAW-WXHSDQCUSA-N 351.328 2.699 0 50 FFAA Cn1cc(-n2nc(-c3ccc(F)cc3)nc2-c2cnc3cccnn23)cn1 1857670438 NNVHZQWJBADCKL-UHFFFAOYSA-N 360.356 2.517 0 50 FFAA CC(C)(C)CC(=O)NC[C@H]1[C@H]2CN(CCc3cccnc3)C[C@]23CC[C@H]1O3 1857719788 ULZCULGZLGXYQQ-JZJXAQOMSA-N 371.525 2.656 0 50 FFAA O=C(OCc1ccccc1)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 709959024 CKZVREPHESUEJT-WBVHZDCISA-N 371.462 2.903 0 50 FFAA CCn1ncc(CN2C[C@@H]3OC(=O)N(CCc4ccc(F)cc4)[C@@H]3C2)c1C 247844524 RPQXMDBKKAYAAL-MOPGFXCFSA-N 372.444 2.598 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(C(F)(F)F)n[nH]1)C2 248300237 ZYEUJJJHSVSFEM-STQMWFEESA-N 356.392 2.931 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)cc1 366698162 IEGYWKMKQXQGJZ-UONOGXRCSA-N 362.426 2.539 0 50 FFAA CS(=O)(=O)NC[C@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 267180233 FHFXHYVYNSRKRX-GFCCVEGCSA-N 353.875 2.654 0 50 FFAA O=C(c1nnc(-c2cscn2)o1)N1CC2(CCC2)[C@H]1C1CCOCC1 902694872 RBDRWLKSMQHHIV-CYBMUJFWSA-N 360.439 2.614 0 50 FFAA CCn1cc(NC(=O)N(CCc2ccc(F)cc2)C(C)C)c(C(N)=O)n1 2325781726 AUHKZYZEEXKEDQ-UHFFFAOYSA-N 361.421 2.626 0 50 FFAA O=C(O)c1cnn(C[C@@H]2C[C@@H](O)[C@H](NCc3ccc4ccccc4c3)C2)c1 2325785976 WOPTTZBHAIEURP-CWFSZBLJSA-N 365.433 2.664 0 50 FFAA C[C@@H](O)c1n[nH]c([C@@H](C)NC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)n1 2325803927 KHWWMGFDSQCFHZ-PHDIDXHHSA-N 364.274 2.646 0 50 FFAA O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)C1C[C@@H]2C[C@H]2C1 2325806813 ICKLTZHIMGZWTL-COPLHBTASA-N 357.376 2.912 0 50 FFAA Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCCc4cccnc43)C2)no1 2325839171 KYGWDDCACFORSU-ZWKOTPCHSA-N 354.454 2.531 0 50 FFAA CCC(=O)N(C)CC[C@@H](NC(=O)c1cccc2c1CCC(=O)N2)C(C)C 2325867895 IOHMQTPDKJAGKB-MRXNPFEDSA-N 359.470 2.584 0 50 FFAA CO[C@@H]1CCNC[C@@H]1C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 2325874728 YWROYFZSANEBGR-PCCBWWKXSA-N 350.462 2.785 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)c2ccc(O)c(C)c2)cc1 2325878574 UZRBLSOHLXFFTD-APWZRJJASA-N 364.445 2.996 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([C@@H]2CCCN2)s1 20783009 BCYQDOPPALCWEJ-KRWDZBQOSA-N 370.522 2.962 0 50 FFAA CC(=O)c1cccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 1072989 AETDNYPMBYWGNN-UHFFFAOYSA-N 374.462 2.911 0 50 FFAA COc1ccc2c(c1)C=C(CN(C)[C@H]1C[C@H]3CC(=O)N(C)C[C@H]3C1)CO2 2356163655 MLNITTOKEVJLOG-JQHSSLGASA-N 356.466 2.660 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356170900 FQIBEHDBYAZDLY-QFIPXVFZSA-N 363.461 2.808 0 50 FFAA CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCSC 4113622 DYHICWTYHBDNGX-HNNXBMFYSA-N 350.440 2.619 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 6706828 XRSGULSXTVYSDI-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CCCOC[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCC)C3=O)C1 55404741 CAQCYCZIPHJTFL-CQSZACIVSA-N 358.438 2.581 0 50 FFAA Cc1cc(N2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)c2ccccc2n1 107015600 QAKZXYRYTDHNSV-IBGZPJMESA-N 368.525 2.510 0 50 FFAA COc1ccc2c(C)nc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2c1 67883437 VSZJYSKVGIQKEC-CABCVRRESA-N 362.433 2.732 0 50 FFAA O=C(c1cc2ncccn2n1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65433223 DQONGAIFMKMICU-AZUAARDMSA-N 372.428 2.873 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 21795029 HUVLZBKLRHBYGZ-UHFFFAOYSA-N 368.485 2.822 0 50 FFAA CCn1nc(C)c(NC(=O)CNCc2ccccc2-n2ccnc2C)c1C 65463970 FVCIJHGULNDGJR-UHFFFAOYSA-N 366.469 2.742 0 50 FFAA Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1 67613836 RAWRBLYWOJICPS-UHFFFAOYSA-N 354.458 2.514 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC(N4CCC[C@@H](CO)C4)CC3)cc2c1 67834245 NELISVLBOKOYEO-QGZVFWFLSA-N 369.509 2.505 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc(=O)[nH]1 65403553 MDMUGXJLYSLBJT-HNNXBMFYSA-N 365.437 2.816 0 50 FFAA COc1cccc(CCNC(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)c1 11971604 RKUVCFSIVKCJMA-LJQANCHMSA-N 356.397 2.881 0 50 FFAA CS(=O)(=O)Cc1nc(CCc2ccccc2)nn1-c1ccc(F)cc1 65526758 ACQSQUNIDGCPHU-UHFFFAOYSA-N 359.426 2.736 0 50 FFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NCC3CCOCC3)nc2)C1 67866802 COSTWBNAIFNUKL-SFHVURJKSA-N 374.529 2.628 0 50 FFAA CC1(C)C[C@@H](C(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)CCO1 65398069 JIQCMRWSGLHGDC-HNNXBMFYSA-N 369.469 2.709 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)CCc1cn2ccccc2n1 65380251 NJZFWGSLJIEANY-UHFFFAOYSA-N 361.405 2.976 0 50 FFAA COc1cc(Br)c(CNC(=O)N2CCCCO2)cc1OC 283626362 HQRXMGZYMUOXME-UHFFFAOYSA-N 359.220 2.703 0 50 FFAA O=C(c1cc(F)ccc1-c1ccoc1)N1CCC[C@@H](N2CCNC2=O)C1 365545239 HRTZHLFBJYBUKL-OAHLLOKOSA-N 357.385 2.716 0 50 FFAA C[C@H](Oc1ccccc1CN1CCC(N2CCSCC2)CC1)C(=O)O 215930398 TWQANNIOTHVWBZ-HNNXBMFYSA-N 364.511 2.552 0 50 FFAA O=C(NCc1cccc(CO)c1)NC[C@H]1CCCN(Cc2ccccc2)C1 363480866 OTQDYCIJXHCHNI-OAQYLSRUSA-N 367.493 2.890 0 50 FFAA CCOc1ccccc1CN1CCN(c2noc(C(C)C)n2)C[C@@H]1CCO 72480177 ZTXULZWOZAGMCT-KRWDZBQOSA-N 374.485 2.665 0 50 FFAA CCOc1ccncc1S(=O)(=O)Nc1ccc(-n2cccn2)c(F)c1 328595681 AKCGAMHIHLFBKQ-UHFFFAOYSA-N 362.386 2.606 0 50 FFAA CCOc1ccccc1CN1CCC[C@@H](N(C)Cc2nccc(N)n2)CC1 328644535 RTVNLHBJUVNHBT-GOSISDBHSA-N 369.513 2.944 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cn(C(C)C)cn2)n1C 366094672 VGCGLENEHDVDAT-INIZCTEOSA-N 357.458 2.530 0 50 FFAA COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 30864271 JFSJKONJMVQDQC-IBGZPJMESA-N 370.449 2.677 0 50 FFAA Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cc4c(nc3O)CCCC4)C2)n1 376494269 DLVXTSCOHUYJSL-MRXNPFEDSA-N 354.454 2.957 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1(C(=O)O)CCCCC1 236823679 OSZKOPCOVUYBAE-KRWDZBQOSA-N 356.422 2.854 0 50 FFAA Cc1cc(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)[nH]n1 72428964 DMXRXVAPUHYDII-NSHDSACASA-N 362.441 2.808 0 50 FFAA Cc1cccc2nc(N3CCC(N4CCCS4(=O)=O)CC3)sc12 334115536 GUWDDJOJZWYASF-UHFFFAOYSA-N 351.497 2.609 0 50 FFAA O=C(Cc1noc2ccccc12)N1CCC2(CC1)C(=O)Nc1ccccc12 72154535 PCRKWIAZGFHSHE-UHFFFAOYSA-N 361.401 2.883 0 50 FFAA COCc1ncc(CN2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)cn1 77358275 CGBIVUIOLYXDPR-OAQYLSRUSA-N 372.513 2.770 0 50 FFAA CCc1[nH]c2ccc(CNC(=O)c3ccc(-n4cnnc4)nc3)cc2c1C 71746098 XZSQRNAIRUXKJU-UHFFFAOYSA-N 360.421 2.944 0 50 FFAA C[C@@H](C1CCN(Cc2cnc(-c3ccco3)nc2)CC1)N1CCN(C)CC1 77504006 UJENIPJXURQOIC-KRWDZBQOSA-N 369.513 2.585 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3ncccc3Cl)CC2)c(C)s1 48278416 WXTBYLCCMRHJLK-UHFFFAOYSA-N 371.915 2.924 0 50 FFAA CCn1c(CCNC(=O)CCN2CCCCCC2=O)nc2ccccc21 220424541 XQOLNAVKFUMACL-UHFFFAOYSA-N 356.470 2.508 0 50 FFAA O=C1CN(Cc2cnc(NCc3ccccc3)nc2)CCN1c1ccccc1 82106386 SUGVEVJMZJWWMG-UHFFFAOYSA-N 373.460 2.938 0 50 FFAA C[C@H](C(=O)N1CCC[C@H](c2nncn2C)C1)[C@@H]1OCCc2sccc21 292408865 YVTOLPDVJFJJII-XEZPLFJOSA-N 360.483 2.533 0 50 FFAA COc1cccc(N2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2=O)c1 82161673 HHXFKNHYQHALRB-UHFFFAOYSA-N 352.394 2.527 0 50 FFAA COc1ccccc1OC1CCN(C(=O)C2(Cn3cccn3)CC2)CC1 82139209 FMVYULPYNDVVSR-UHFFFAOYSA-N 355.438 2.742 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)c1cccc(OC(F)F)c1)CC2 223868245 JEHWYMNLZMNUEK-UHFFFAOYSA-N 352.381 2.811 0 50 FFAA CN(C)C(=O)c1ccnc(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c1 290987044 FIHGVQVGHLSXDO-CQSZACIVSA-N 372.856 2.902 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)cs1 291386732 ZUAONXOAZWRUDC-IBGZPJMESA-N 373.478 2.559 0 50 FFAA CCCCN(Cc1cccnc1)C(=O)Cn1nccc1[C@@H]1CCCNC1 426497023 ULSPJNASTUWDRQ-GOSISDBHSA-N 355.486 2.574 0 50 FFAA O=C(Nc1cnc(-c2ccccc2)nc1)N[C@@H]1CCN(c2ccccn2)C1 179155724 FFDSABYZJXRIGH-MRXNPFEDSA-N 360.421 2.939 0 50 FFAA CN(Cc1cnn2ccccc12)C[C@H](c1cccs1)N1CCOCC1 179528028 ZZQSFDZIOGPVME-GOSISDBHSA-N 356.495 2.901 0 50 FFAA Cc1cc(C)nc(-c2ccc(C(=O)N3Cc4nc(C)nc(O)c4C3)cc2)n1 426677687 PERXEPFQBBHGBU-UHFFFAOYSA-N 361.405 2.720 0 50 FFAA CN1C[C@@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)Oc2ccccc21 97529054 URMBVTRHQZTHDB-IBGZPJMESA-N 370.424 2.533 0 50 FFAA CNC(=O)C1(NC(=O)NCCc2ccc(OC(C)C)cc2)CCCCC1 426619964 DJDKIBDIVANNTM-UHFFFAOYSA-N 361.486 2.764 0 50 FFAA COc1cc(F)c(C(=O)N2CCC(CCN3CCCC3=O)CC2)c(F)c1 91690674 FINSQNGYGLIGOL-UHFFFAOYSA-N 366.408 2.838 0 50 FFAA CSc1cccc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)c1 96167090 JYRDBUVSWLPENZ-JXFKEZNVSA-N 374.506 2.554 0 50 FFAA CC(C)c1cc(CN(C)C(=O)c2cnc(-c3cccnc3)nc2O)no1 96131387 VWSAFNMKDJECKX-UHFFFAOYSA-N 353.382 2.628 0 50 FFAA CC(C)[C@H]1COC(=O)N1CC(=O)N(C)Cc1cc(-c2ccccc2)on1 95496605 WOGJUXAZUODNIU-MRXNPFEDSA-N 357.410 2.777 0 50 FFAA COc1ncccc1C(=O)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91964788 JULZKYUEIUXJSS-NRFANRHFSA-N 371.481 2.878 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCCCCN2C)C3)cc1 96153901 VVRJABBYRFPCHX-IBGZPJMESA-N 368.481 2.844 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)Nc2cc(-n3cnnn3)ccc2C)c1C 96153841 JWNASNXRZNJOHE-LBPRGKRZSA-N 368.445 2.687 0 50 FFAA CC[C@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1CCc1cnn(C)c1 96132842 XXEQAVCDCVTHOX-SFHVURJKSA-N 365.481 2.648 0 50 FFAA COc1cc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)ccc1O 96135913 FGDXMCKSTGZLTA-UHFFFAOYSA-N 363.417 2.844 0 50 FFAA Cc1nc([C@@H](C)N(C)Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)c(C)s1 91536404 MZEOJWHBIKPMIV-SNVBAGLBSA-N 370.478 2.893 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2[nH]c(C)c(C(=O)O)c2C)C1 91486720 ZSMWLNBPLMKKCN-IBGZPJMESA-N 362.426 2.993 0 50 FFAA O=C1CCc2cc(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)c(F)cc2N1 181171464 ZQVWLFLQPVYHPO-INIZCTEOSA-N 368.408 2.794 0 50 FFAA O=C1c2ccccc2[C@@H]2N1CCCN2C(=O)c1ccccc1-n1cccn1 97772977 NFYAUKALYCFHHF-LJQANCHMSA-N 358.401 2.873 0 50 FFAA CCOCc1nc(C[C@@H]2NC(=O)c3ccccc32)n(-c2ccccc2F)n1 91819138 UBPMPVPAHBPXQS-INIZCTEOSA-N 366.396 2.970 0 50 FFAA OC[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1CN1CCCCCC1 92062459 JXXBXDXXOOFPIV-NHCUHLMSSA-N 368.525 2.789 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(Cc1ccc3ccn(C)c3c1)CCN2C 92081354 OAZJYVNRNUJWJT-JOCHJYFZSA-N 368.525 2.697 0 50 FFAA COCc1cc(CNC2CCN(c3ncnc4sc(C)cc34)CC2)n[nH]1 95521477 CPWZOXMCXWMKJF-UHFFFAOYSA-N 372.498 2.628 0 50 FFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@H]2c2nccs2)CC1 243932072 BSDILYAQPBHCTH-INIZCTEOSA-N 370.478 2.754 0 50 FFAA Cc1c(CNC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cnn1C 299794673 MJBPZSUYJVGXKJ-SFHVURJKSA-N 358.442 2.998 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-n4cccn4)c3)[C@H]2C1 299781930 UHNTVRZHCUQKOP-WSTZPKSXSA-N 355.438 2.671 0 50 FFAA COc1cc2c(cc1CNC(=O)N(C)C1Cc3ccccc3C1)OCCO2 584902063 JQZOXBJTGQEARA-UHFFFAOYSA-N 368.433 2.775 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CCCCC[C@H]2O)(c2ccccc2)CC1 1875367505 IVIQOHDQDJOOJJ-RTBURBONSA-N 370.493 2.543 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC[C@H](OCc2ccccn2)C1 952982566 AYAVWFKDWNUJAW-LXXRFIIISA-N 358.463 2.856 0 50 FFAA CNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(OC)cc3C2)c(C)c1 952872024 HDYMYENDCUVZEW-HNNXBMFYSA-N 354.406 2.553 0 50 FFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H]1COc3c1ccc(C)c3C)CC2 274958800 QZONSOLNBUZJTF-KZNAEPCWSA-N 374.481 2.698 0 50 FFAA Cc1c(C(=O)NCC[S@](=O)c2ccccc2)c(O)nc2ccccc12 170653273 CMBJYNLMJXKNBD-VWLOTQADSA-N 354.431 2.786 0 50 FFAA Cc1cccnc1[C@H]1CCC[C@H](NCC2CCN(S(C)(=O)=O)CC2)C1 281388107 XUSMCJKJEFUAJM-ROUUACIJSA-N 365.543 2.677 0 50 FFAA CN(Cc1ncc(-c2ccccc2)[nH]1)C(=O)c1nn(C)c(=O)c2ccccc12 763811708 OLUXFWOKRUYJFE-UHFFFAOYSA-N 373.416 2.596 0 50 FFAA Cc1cc([C@@H](C(=O)O)N2CCCN(C(=O)c3ccco3)CC2)ccc1F 1506410521 LWYVEXCRVWHSRM-KRWDZBQOSA-N 360.385 2.701 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)NCc2cc(COc3ccccc3)cs2)C1 1506419531 RSZJKXYUHBWKRZ-OAHLLOKOSA-N 373.478 2.734 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cnc(C)nc3)CC1)OCC2 1704297002 BZCQVOOZNIOZLT-UHFFFAOYSA-N 369.465 2.866 0 50 FFAA O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCSCC1 11820484 UBUYBOLNUWKUEO-UHFFFAOYSA-N 355.419 2.991 0 50 FFAA Cn1c(CCNC(=O)C2CCCCC2)nnc1SCc1ccccn1 11909154 XIDWTFTYKDMQHK-UHFFFAOYSA-N 359.499 2.741 0 50 FFAA CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1ccnn1C 12745339 OXEYIVBJOZYWRN-UHFFFAOYSA-N 358.461 2.586 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(F)c3)ccc21 15243655 ZEIGVWMQMAHAGD-UHFFFAOYSA-N 352.362 2.675 0 50 FFAA CC[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16626711 JRVYYJVTFKEXAQ-LBPRGKRZSA-N 356.513 2.721 0 50 FFAA CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19791214 SCWXEUHBUMTRCO-UHFFFAOYSA-N 353.422 2.730 0 50 FFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1CCOc1ccccc1 169752398 WFRVZTOWYSQBRP-UHFFFAOYSA-N 361.401 2.734 0 50 FFAA Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccncc5)no4)c3CO2)cc1 169773160 KOWOVLXXMHIXNZ-OAHLLOKOSA-N 364.340 2.801 0 50 FFAA CN1CCN(CCn2ccnc2-c2cnc(-c3ccccc3)s2)CC1 1857706598 NBGURCNRYNJMJR-UHFFFAOYSA-N 353.495 2.921 0 50 FFAA CCCO[C@@H]1CC[C@H](c2nc(C)nn2-c2ccc3c(c2)OCCO3)C[C@H]1N 1857718546 KCGAWNKOVOUGJM-USXIJHARSA-N 372.469 2.737 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCC[C@@]4(CCCNC4=O)[C@@H]3C)c2)no1 1875250161 CCACCEVRFVVEPS-RBZFPXEDSA-N 368.437 2.566 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C2CC2)C(=O)C1 328589348 UIZJSCRIGWLBOI-HXUWFJFHSA-N 367.424 2.812 0 50 FFAA COc1cc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)ccc1C(=O)O 237318690 MWUPXYFCUSXVRC-GOSISDBHSA-N 368.433 2.674 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1n[nH]c2c1CCCC2 238137109 BKJLDXITWCOQIJ-UHFFFAOYSA-N 363.364 2.684 0 50 FFAA CCn1nnnc1-c1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 131982264 PYSZQXRTNUCAPN-NNQSOWQGSA-N 353.426 2.694 0 50 FFAA O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1csnn1 151693576 JJVMQFFUOZAIEH-GFCCVEGCSA-N 363.443 2.752 0 50 FFAA Cc1ccc(N2CC[C@H](N(C)Cc3cn(C)nc3C(F)(F)F)C2=O)cc1 155330845 LAWNZEVPSYXMRS-HNNXBMFYSA-N 366.387 2.985 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1cccc2ncnn12 2100537019 GDSOVAPTAZXOHA-UHFFFAOYSA-N 350.357 2.531 0 50 FFAA CNC(=O)c1cccc(CCC(=O)N2CCCC[C@@H]2C2CCOCC2)c1 2325810583 SIWYNYMRIMSTNG-LJQANCHMSA-N 358.482 2.787 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1)c1[nH]nc2ncccc12 2325865633 KAVQQJXFHZMPTN-NSHDSACASA-N 364.283 2.532 0 50 FFAA O=C(O)C[C@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC2(CCC2)O1 2332239544 HVBAXYAKMOCXCC-LBPRGKRZSA-N 370.384 2.853 0 50 FFAA O=c1sc2ccccc2n1CC(O)Cn1c(=O)sc2ccccc21 625612 DQANEWSIBJLPLV-UHFFFAOYSA-N 358.444 2.501 0 50 FFAA CC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 777980 JVZQMBYIWRTZIZ-VIFPVBQESA-N 358.653 2.945 0 50 FFAA CSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccccc21 822103 BWNXQVYDYHIFEH-GOSISDBHSA-N 363.402 2.870 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@H](C(=O)O)C1 894857 HQKSZMPYLDTIRF-RTBURBONSA-N 356.466 2.778 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 921327 OZJVDQBVKATXSJ-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA O=C(NN1C(=O)c2ccccc2[C@]1(O)Cc1ccccc1)c1ccccc1 1121249 DJDYJYAZSVOHCG-JOCHJYFZSA-N 358.397 2.875 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 2884766 MRCIJXYEKKJCSR-UHFFFAOYSA-N 374.462 2.797 0 50 FFAA O=C(NCCCO)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2ccccc12 4005956 PNQIJUCURRTMMW-ROUUACIJSA-N 352.434 2.859 0 50 FFAA CCC[C@@H](NC(C)=O)C(=O)NCc1cccnc1Oc1ccccc1F 67819844 ZYINEISTJNLVGW-MRXNPFEDSA-N 359.401 2.934 0 50 FFAA O=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1CC1CCC1 67725107 RDMRKDHSULHBJP-NRFANRHFSA-N 355.482 2.710 0 50 FFAA C[C@@H](NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1)c1ccccc1 65362042 BNZQAEVLJBQKMH-SECBINFHSA-N 361.448 2.660 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)CCN2Cc3ccccc3C2)s1 23251779 LZBRVSFWZFWQOL-INIZCTEOSA-N 369.490 2.916 0 50 FFAA CCCc1cc(CNC(=O)c2ccc(N(C)Cc3ccccn3)nc2)on1 67834150 VMGUNPZZPXOARZ-UHFFFAOYSA-N 365.437 2.984 0 50 FFAA Cc1cccc([C@H]2CCCCN2C(=O)CCN2CCCS2(=O)=O)c1C 173513908 LLVSCTPUGYBOQA-GOSISDBHSA-N 364.511 2.783 0 50 FFAA O=C([C@H]1CCCO1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1 11813836 QCZJMFKIACSMSL-HXUWFJFHSA-N 358.482 2.831 0 50 FFAA CN(Cc1ccon1)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 11878861 IREYXZPZDURQOD-AWEZNQCLSA-N 361.829 2.725 0 50 FFAA Cc1nn(CCC(=O)N2CC[C@@H](C)C2)c(C)c1CCC(=O)N1CC[C@H](C)C1 328667948 DJUYRRBNYOMMQJ-JKSUJKDBSA-N 374.529 2.559 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cnc(C(C)C)s2)CC(=O)N1C 328626481 LTASBODBIABLMF-RHSMWYFYSA-N 361.515 2.678 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ncnc4[nH]ccc34)CC1)CCC2 67847681 RHQSFSAPNJKBIQ-UHFFFAOYSA-N 363.465 2.777 0 50 FFAA N=C(O)c1cnn2c1CC[C@H](CNCc1sccc1Br)C2 328642450 RBBIBTMQYDGWDT-SECBINFHSA-N 369.288 2.943 0 50 FFAA CO[C@@H]1[C@H]2C[C@@H]3CN(c4ccc5nnc(-c6ccccc6F)n5n4)[C@H]1[C@H]3C2 253418311 OEDPIDONVMRUAO-DUKJDFQYSA-N 365.412 2.790 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2=O)c1 12073888 SKHSAPCUPQJCAP-JOCHJYFZSA-N 370.493 2.763 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)c2cccs2)CC1 328624819 CPRFYNHKDKAVJU-AWEZNQCLSA-N 356.513 2.557 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](Cn3ccnc3)C2)c1C 77378109 BTSWWRUMKNFNIX-OAHLLOKOSA-N 358.442 2.557 0 50 FFAA C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C[C@H]1CCCCC(O)=N1 328835739 SKPTWQHJZKSKJO-YRISNDGFSA-N 374.481 2.844 0 50 FFAA O=C(CCn1cccn1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 123389873 WWEOEAWRBUWRDV-HUUCEWRRSA-N 353.344 2.627 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 329497816 GOPOFGJEPZIEMZ-FQEVSTJZSA-N 373.456 2.721 0 50 FFAA C[C@@H](C1CCN(Cc2ccc(O)cc2Cl)CC1)N1CCN(C)CC1 77355659 XHCXFSVJFNJSSZ-HNNXBMFYSA-N 351.922 2.894 0 50 FFAA Cc1csc([C@H]2CN(C(=O)N[C@@H](C)c3cncc(F)c3)CCO2)n1 332104606 FUMOMNJVXLCJJD-SMDDNHRTSA-N 350.419 2.830 0 50 FFAA COc1ccccc1N1CCN(CC(C)(C)CN2CCOCC2)[C@H](C)C1 72131853 ZHYIVQQJXSVLSU-GOSISDBHSA-N 361.530 2.564 0 50 FFAA O[C@H]1Cc2ccccc2[C@H]1NCc1nc2ccccn2c1Br 370421141 NAGVTMKWYGSUBW-GOEBONIOSA-N 358.239 2.845 0 50 FFAA COc1ccc(CN2CCN(c3cc(C)cc(C)c3)C(=O)C2)cc1C(=O)O 72148579 LTXRGFWASRXOAY-UHFFFAOYSA-N 368.433 2.859 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CCO1 262040941 CTHCGOVONXWRLL-HNNXBMFYSA-N 353.802 2.587 0 50 FFAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C 371931944 PWXWYQWGNXUHSN-KBXCAEBGSA-N 369.509 2.834 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cscn3)C2)CN1Cc1ccccn1 72438959 IXSUYPREUZSUTB-LJQANCHMSA-N 356.495 2.943 0 50 FFAA Nc1ccc(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cn1 72462721 GOSLZAMBSYIEOJ-UHFFFAOYSA-N 365.355 2.806 0 50 FFAA c1ccc(Oc2cccc(CN3CCN(CCn4cncn4)CC3)c2)cc1 77407197 IUONZIIWVRJTJQ-UHFFFAOYSA-N 363.465 2.888 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H](c2ccsc2)O1 130792197 BOHNRZUSFSSSNT-SMDDNHRTSA-N 363.464 2.775 0 50 FFAA O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 241644628 PSHHCGPUWSHXHA-UHFFFAOYSA-N 374.466 2.624 0 50 FFAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2nc(C(C)C)cs2)cn1 222424508 PLVLFRKGUFBKOL-ZBFHGGJFSA-N 361.467 2.936 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1Br 41095659 XOVWXQALQRRFOZ-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)[C@H]1CC[C@H](O)CC1 222814359 XTUKGHXGWUTXHC-ABNFPLBRSA-N 354.450 2.714 0 50 FFAA C[C@H](C(=O)N1CCC[C@@H](c2nncn2C)C1)[C@@H]1OCCc2sccc21 292408871 YVTOLPDVJFJJII-ZENOOKHLSA-N 360.483 2.533 0 50 FFAA COc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c1 82107214 CZCGGXCWDDVZGI-INIZCTEOSA-N 368.433 2.646 0 50 FFAA COc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1C 82170902 GDPHLGDBQDWVDM-OAQYLSRUSA-N 360.498 2.591 0 50 FFAA Cc1ccc(-n2c(C)nnc2SCC2=CC(=O)N3C=CS[C@H]3N2)cc1 20394274 UXOOOYVRFKKCJO-INIZCTEOSA-N 371.491 2.794 0 50 FFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 178972581 JLWNZEPNCUGFAQ-CHWSQXEVSA-N 355.276 2.593 0 50 FFAA Cc1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c(OCCCN)c1 426648203 WBBVPWUWALPSDI-GOSISDBHSA-N 359.514 2.813 0 50 FFAA COc1ccc2c(C)c(C(=O)N3C[C@H](CO)[C@H](CN4CCCC4)C3)oc2c1 91625716 FBPMSAJYBQBAHJ-HZPDHXFCSA-N 372.465 2.526 0 50 FFAA CCn1cc(NC(=O)N2CCCN(c3nc4ccccc4s3)CC2)nn1 95528726 MKRRNEFKLZWNRI-UHFFFAOYSA-N 371.470 2.652 0 50 FFAA CCc1nccn1CCCNC(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 426489887 IGRRQFLNZYRKJK-HNNXBMFYSA-N 374.489 2.931 0 50 FFAA COC[C@H](C)NC(=O)C1CCN(C(=O)Nc2cc(C)cc(F)c2)CC1 97785182 OAANVSDQXWLXFQ-ZDUSSCGKSA-N 351.422 2.529 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)NCCCn2ccnn2)c1C 96150076 IIXLUEVSPVKUTH-UHFFFAOYSA-N 353.430 2.546 0 50 FFAA CC(C)Cn1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cn1 180665220 ONIQCTWKBBKQRS-UHFFFAOYSA-N 374.872 2.791 0 50 FFAA COCC[C@]1(O)CCN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1C 91595942 SFIVFXGOVGNXMO-CXAGYDPISA-N 359.388 2.884 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2 92078044 GOFOQSBNZRRJDZ-RBUKOAKNSA-N 370.493 2.668 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 91619931 WKUBAWZABWNMEL-AWEZNQCLSA-N 359.447 2.869 0 50 FFAA CC[C@H](C)S(=O)(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91586353 IBMAZMGIOVHJIG-HNNXBMFYSA-N 356.532 2.762 0 50 FFAA CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 183679694 FZBGGDWPLFMYOW-MRXNPFEDSA-N 355.442 2.602 0 50 FFAA O=C(O)c1cnn(CC(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1 864108029 JDLIKSHOONQOIL-AWEZNQCLSA-N 367.327 2.964 0 50 FFAA Cc1ccn(CCC(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 252539660 OHCUYWUBMRYTFM-CDXJDZJCSA-N 364.449 2.758 0 50 FFAA CCCc1nnc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)s1 252509424 YNQZHVHKWWLCBT-CQSZACIVSA-N 364.446 2.642 0 50 FFAA COc1nccnc1-c1cccc(C(=O)NCC[C@@H](C)n2ccnc2)c1 299761609 LTRAOWMBJVFEMA-CQSZACIVSA-N 351.410 2.730 0 50 FFAA CCOc1ccc([C@H](CC)NC(=O)N2CCC3(CC2)CNC(=O)C3)cc1 584890749 OKGYIGXENJEYNN-KRWDZBQOSA-N 359.470 2.848 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cc2c(nc1O)CCC2 670471199 GXHAOFQFULQBND-AWEZNQCLSA-N 357.479 2.732 0 50 FFAA C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N=c2cc(-c3ccc(F)cc3)n(C)[nH]2)C1 1875297804 DMPYLZFTCUUJEB-IAQYHMDHSA-N 353.401 2.676 0 50 FFAA Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCNC2=O 1875362459 GHNMJUCFXAIIAJ-UHFFFAOYSA-N 350.827 2.735 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C1 1875371247 UYQQPRHESUYPAR-NVXWUHKLSA-N 362.857 2.665 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)CCc2c(C)noc2C)n1 952974609 WFUUGXLXLDACOL-OAHLLOKOSA-N 362.430 2.550 0 50 FFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cnc(-c3ccccc3)nc2)C1 886034129 SIIMUDFWOIQYQV-UONOGXRCSA-N 350.344 2.638 0 50 FFAA O=C(CCc1ccsc1)N[C@H]1COCC[C@@H]1Oc1ccc(CO)cc1 1565513278 VYUJYBQCQIEYHL-ROUUACIJSA-N 361.463 2.526 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2cnc(C)cn2)cc1 1565505827 JBLRAOOMDDSUSC-MSOLQXFVSA-N 366.465 2.530 0 50 FFAA COc1ccc(F)c(F)c1CN1C[C@@H]2CC[C@H]1CN(C(=O)N(C)C)C2 1073330539 LCISRKODAKLJGA-STQMWFEESA-N 353.413 2.551 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)N1CCOC2(CCOCC2)C1 280853644 ZWAJNFKPVHQVQB-XJKSGUPXSA-N 368.836 2.926 0 50 FFAA NC(=O)c1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 172195632 MCUJPHQHVWRUIZ-SFHVURJKSA-N 352.438 2.572 0 50 FFAA CCC1=C(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CCCO1 190091915 SFWXLEZHLSBHJN-SFHVURJKSA-N 358.438 2.895 0 50 FFAA CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cn(C(C)(C)C)nn1 191547936 OFBSONLKBGVNPB-KRWDZBQOSA-N 370.501 2.555 0 50 FFAA O=S(=O)(N[C@H]1CCCNC1)c1cc(Cl)ccc1OCC1CCC1 193234209 PVAKNEVUJRWYCZ-AWEZNQCLSA-N 358.891 2.549 0 50 FFAA Cc1ccc(-n2cc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cn2)cc1C 1704342450 CNJTVTBOJMMVKB-FGZHOGPDSA-N 368.525 2.768 0 50 FFAA CC1=CC2(CCN(Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)OCC1 1704316547 UKCJOKGBNGUBPJ-GOSISDBHSA-N 358.486 2.769 0 50 FFAA O=C(N1C[C@@H]2COCC[C@]2(C(=O)O)C1)C1(c2ccccc2)CCCCC1 1772711371 HXCQABPTHJCDFF-UTKZUKDTSA-N 357.450 2.838 0 50 FFAA O=C(NCCN1CCCC1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772816873 VWDQPHHJTOOTPB-OAHLLOKOSA-N 356.495 2.522 0 50 FFAA CC(C)c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 5862660 YXAXTKUGRVZXRX-LJQANCHMSA-N 355.482 2.767 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)no1 15067975 HGIIAQIXHQFEJL-BETUJISGSA-N 354.410 2.630 0 50 FFAA Cc1cccc(CCNC(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)c1 15943217 PSSQRACDLJTCKK-UHFFFAOYSA-N 360.417 2.545 0 50 FFAA CNS(=O)(=O)c1cc(-c2ccc(N3CCCCCC3)nn2)ccc1C 16651139 AZBKAZMLFZAHBW-UHFFFAOYSA-N 360.483 2.741 0 50 FFAA O=C(COc1ccc2ccccc2c1)N1CCN(Cc2cccnc2)CC1 19789905 YHAMLIMGVYODKL-UHFFFAOYSA-N 361.445 2.958 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccccc3Cl)nn2)n1 19924244 MYCJGTGDOXIQTD-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 169689694 MJOZUOSADICMIL-CWLKWCNXSA-N 353.422 2.925 0 50 FFAA Cc1c(Cl)cccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3 169762628 WSJMXECDDPUSOF-UHFFFAOYSA-N 370.840 2.975 0 50 FFAA CO[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccc1Cl 153799289 MGIUKCBKJWEFII-KRWDZBQOSA-N 367.854 2.941 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCc1cccnc1OC 1857727329 QAVHSGPHIFWYFG-UHFFFAOYSA-N 369.450 2.539 0 50 FFAA CC(=O)N[C@H]1CN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1c1ccc(C)o1 222461394 USDNHOFTTWUMPK-PMACEKPBSA-N 364.449 2.878 0 50 FFAA O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1CCCC(F)(F)C1 427334096 GGZLHQSTFSQXHV-LBPRGKRZSA-N 355.776 2.688 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@@]12CCOC2 329757889 ZQNRQPDDAJNKKO-SLYNCCJLSA-N 358.482 2.632 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CCN1C(=O)CCc2ccccc21 237022352 BCWJYQRQLCVOPS-UHFFFAOYSA-N 366.417 2.713 0 50 FFAA CC(C)N1CCC(NC(=O)CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 239722403 CCRPLLYLWWNIJH-OAHLLOKOSA-N 363.468 2.886 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 247971909 FUJRKPHFQJPPJN-XUVXKRRUSA-N 369.486 2.968 0 50 FFAA CC(C)CN1CCO[C@@H](CNC(=O)Nc2cnc(-c3ccccc3)nc2)C1 145851817 AXNULZSDDNLVFW-SFHVURJKSA-N 369.469 2.622 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 265898617 UDCFMTCCYULGRM-SFHVURJKSA-N 372.446 2.917 0 50 FFAA C[C@@](O)(c1cccc(C(F)(F)F)c1)c1nc([C@H]2C=CC=NC2=O)no1 903385809 MWQHHKNDYCHFKK-IAQYHMDHSA-N 351.284 2.595 0 50 FFAA O=C(COc1ccc(-n2cnnn2)cc1)Nc1cccc(Cl)c1Cl 877392 YSVAWVCHLPIRHC-UHFFFAOYSA-N 364.192 2.987 0 50 FFAA CC(=O)c1cc(Cl)c(Cl)cc1OC[C@@H](O)COc1cnsn1 2325752048 YORLVUFJOCKVCA-MRVPVSSYSA-N 363.222 2.866 0 50 FFAA CN(C(=O)c1cc(-c2ccccc2O)[nH]n1)[C@H]1CCN(c2ccncc2)C1 2325783994 RQJQDHAYKXUTSW-HNNXBMFYSA-N 363.421 2.528 0 50 FFAA O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)N1CCOCC1 755362 RANIPSAHHDOUMO-UHFFFAOYSA-N 364.430 2.623 0 50 FFAA COc1cccc(C(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1 871942 PPOPPNOXEONRJV-INIZCTEOSA-N 365.311 2.591 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)NC(=O)c1ccccc1 1110393 GEAYMDIXEYQBJT-UHFFFAOYSA-N 374.418 2.617 0 50 FFAA CCN1C(=O)[C@](O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21 1128228 DHAQWDVYOUEWBS-FQEVSTJZSA-N 355.390 2.531 0 50 FFAA C[C@H]1C[C@H](C)CN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 2861123 WFHMGQBIAFHKDQ-GJZGRUSLSA-N 366.527 2.767 0 50 FFAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ccco2)CCCN1 2356162927 UJCQUCMQDLKFRM-GOSISDBHSA-N 369.465 2.743 0 50 FFAA O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc(F)cc1 4009055 GMZMQCDOBFGAIG-UHFFFAOYSA-N 372.348 2.986 0 50 FFAA O=C(C1CCN(Cc2cccnc2)CC1)N1CCN(c2ccccc2)CC1 4707010 AEWJMCIHDLLWAQ-UHFFFAOYSA-N 364.493 2.642 0 50 FFAA COc1cccc(-c2noc(CCCN3C(=O)c4ccccc4C3=O)n2)c1 4839453 VCKUNYJJIKQEJZ-UHFFFAOYSA-N 363.373 2.974 0 50 FFAA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4cccnc4)c(=O)n1c23 100630053 AIYVCKRQIPKGLQ-LLVKDONJSA-N 367.380 2.678 0 50 FFAA CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 116434556 MZLMKVYEFKKRHS-ULQDDVLXSA-N 374.529 2.814 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1O 65383246 HBAFEQOWJHECLC-IAGOWNOFSA-N 368.462 2.628 0 50 FFAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CCC([C@@H](O)c2cccs2)CC1 1506404913 GLAWVSQQYCPKGD-MRXNPFEDSA-N 369.446 2.570 0 50 FFAA FC(F)(F)CN1CC[C@H](c2nc(Cc3ccc4c[nH]nc4c3)no2)C1 350280630 ZLXWPFZFJXUGRQ-LBPRGKRZSA-N 351.332 2.888 0 50 FFAA O=C1[C@@H](N2CCC(c3ccccc3CO)CC2)CCN1CC(F)(F)F 364812279 RNZYBLADOUEKGB-INIZCTEOSA-N 356.388 2.522 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc2cccc(Cl)c2n1C)C(=O)O 67446935 AITLLACKSUKRLS-AWEZNQCLSA-N 360.801 2.727 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67473467 IUTGQITVUUDGOS-INIZCTEOSA-N 354.454 2.555 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)nc1 67641183 KRRDBOXIWSWYDS-UHFFFAOYSA-N 362.433 2.904 0 50 FFAA Cc1cnn(Cc2cc(C(=O)Nc3ccc(N4CCCCC4)cn3)no2)c1 122100093 RPRCGADDDXHCMS-UHFFFAOYSA-N 366.425 2.865 0 50 FFAA Cc1c([C@H]2[C@H](CNCc3cnc4ccsc4c3)CC(=O)N2C)cnn1C 328618756 FASDDYSYSSYJTI-IFXJQAMLSA-N 369.494 2.647 0 50 FFAA O=C(OCc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 36434204 XHKMBFDLCAZWCR-MSOLQXFVSA-N 355.390 2.502 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(C(=O)c3ccncc3)CC2)c1 72476493 CPJZKKRDKZEXIY-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA CCn1cnc(S(=O)(=O)N(C)[C@@]2(c3ccccc3)CCCCC2=O)c1 329774403 IOHSLAAMULREBU-GOSISDBHSA-N 361.467 2.562 0 50 FFAA COc1ccc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)c(Cl)c1OC 77300743 UXAAMVWHBZMXEB-LSDHHAIUSA-N 354.878 2.950 0 50 FFAA CCOc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1OCc1ccncc1 153922428 ZKXWIIOTIYYDMO-HZPDHXFCSA-N 369.465 2.882 0 50 FFAA O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccn(-c2ccccc2)n1 125603094 MLCBKUVHBCLGLE-UHFFFAOYSA-N 374.444 2.925 0 50 FFAA NS(=O)(=O)Cc1cccc(C(=O)N2CCCCCc3ccccc32)c1 333325862 LXMYLFHFPIIOGC-UHFFFAOYSA-N 358.463 2.848 0 50 FFAA CCNc1ncc(C(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)cn1 77297872 SWOZFXVKFVWISO-ZDUSSCGKSA-N 356.426 2.555 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)c1 33270280 SNDLUAXCQCBSQL-AWEZNQCLSA-N 352.412 2.526 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NCC(C)(C)CO)Cc2ccccc2C1 72164486 SHWGEKHEXQAIQA-UHFFFAOYSA-N 366.505 2.791 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 77353819 HABJXWPTTJELJG-INIZCTEOSA-N 370.434 2.799 0 50 FFAA COCCOc1ccc(CNC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 43990289 OHGRTXZLJYJVJB-UHFFFAOYSA-N 371.437 2.735 0 50 FFAA C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(C)(C)C)cc1 45419176 LHUZZGYZEQZOAT-GOEBONIOSA-N 366.527 2.833 0 50 FFAA C[C@H](c1ccc(-c2nc(N3CCOCC3)n(C)n2)cc1)N1CCCCC1 426674351 WUTNAOOLUPCEIY-MRXNPFEDSA-N 355.486 2.866 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CC[C@]2(CCN(C)C2)C1 291641103 JTIJHRIQPVOGJX-NRFANRHFSA-N 367.497 2.726 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N(Cc1ccccn1)C1CC1 178470334 LAWRVGVOAKFZNT-UHFFFAOYSA-N 367.453 2.818 0 50 FFAA COc1nccnc1-c1cccc(-c2ccn(C[C@@H](O)C(F)(F)F)n2)c1 20256381 UWELTLHTIQVUEL-CQSZACIVSA-N 364.327 2.939 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(CCOCc1ccccc1)C2 91620391 ALIJKPNDRPDIGM-QFIPXVFZSA-N 372.509 2.697 0 50 FFAA CCCn1nc(C)c(NC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1C 97766406 IYNICLWXCRLBCL-QGZVFWFLSA-N 374.489 2.621 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)[C@H]1CC(=O)N(C2CCCC2)C1 91987253 CXWOUOGPWBZODL-AWEZNQCLSA-N 360.458 2.525 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)N(CCOC)Cc2ccccc2F)c1 97334199 UVFKBVJBSFYOIP-UHFFFAOYSA-N 373.428 2.795 0 50 FFAA O=C(NCc1nnc2ccccn12)Nc1ccccc1OC[C@@H]1CCCO1 96138772 RHNUYXUWDFPQQW-AWEZNQCLSA-N 367.409 2.609 0 50 FFAA Cc1nccn1CC1(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)CC1 97569039 UIEMUXYUAYTCHQ-UHFFFAOYSA-N 355.417 2.736 0 50 FFAA c1cc(-c2nc(C3CCOCC3)nn2Cc2ccc3c(c2)OCO3)no1 96151484 XIZUCTANSBHUAO-UHFFFAOYSA-N 354.366 2.604 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(Oc3cccnc3)CC2)cc1F 95517921 NHJZQMSQQNDHDS-SFHVURJKSA-N 360.385 2.898 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCC(=O)N2CCCC2)C1 91460965 QEBOIVQCTFHTTN-NRFANRHFSA-N 372.465 2.599 0 50 FFAA O=C(NCc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccco2)C1 95371286 XMNGIUAPDRCMQG-GOSISDBHSA-N 364.449 2.994 0 50 FFAA Cc1nc(NCCc2csc(-c3cnccn3)n2)c2c(C)noc2n1 95372979 RGMXRCQCIHAKHV-UHFFFAOYSA-N 353.411 2.803 0 50 FFAA O=C([C@H](c1cccnc1)N1CCOCC1)N(Cc1ccsc1)C1CC1 95386122 HCBRZAKWCYZWHQ-SFHVURJKSA-N 357.479 2.708 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)CC1 95500232 XSVSJCSRFOHCFN-FQEVSTJZSA-N 358.530 2.845 0 50 FFAA Cc1ccc(C)c2c(O)cc(CN3CCC(O)(CN4CCCC4)CC3)nc12 92062529 VICFWNVKJLGUNK-UHFFFAOYSA-N 369.509 2.980 0 50 FFAA CN(C)c1ccc(CC(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cc1 244633269 GADTWVZZAPDJKI-HMXCVIKNSA-N 352.478 2.794 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)NCCc1nc2ccccc2[nH]1 263587205 DIRPWAHLAITYFI-UHFFFAOYSA-N 352.438 2.619 0 50 FFAA CC[C@H](NC(=O)N(CCOC)Cc1c(C)nn(C)c1C)c1cccnc1 534637139 KOISPFJKFKJXSO-SFHVURJKSA-N 359.474 2.741 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 534637707 NWLKXJYWTNUCMT-IBGZPJMESA-N 370.497 2.816 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1onc2ncccc12 1940197583 AJLZRROYERHFIQ-RDTXWAMCSA-N 374.400 2.759 0 50 FFAA O=C(CCCC(=O)c1ccccc1)NC[C@H]1CC(=O)N(C2CCCC2)C1 299762249 NBWZCNSQMHATMJ-MRXNPFEDSA-N 356.466 2.947 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cc(C)nc(N)n3)CC2)cc1 299771484 YUWZMMZGLGCTGK-OAHLLOKOSA-N 371.510 2.505 0 50 FFAA CCN(Cc1ccncc1)C(=O)N[C@H]1CCCN(C(=O)c2cccs2)C1 584900128 WLRGUGRDBMWRNC-INIZCTEOSA-N 372.494 2.979 0 50 FFAA COc1cc(S(=O)(=O)N[C@H](C)c2nncn2C(C)C)c(C)cc1C 670453692 PQRUPCWHTAUXJS-CYBMUJFWSA-N 352.460 2.524 0 50 FFAA Cc1csc(NC(=O)Cn2c(-c3ccccc3Cl)noc2=O)n1 1875391549 AHWAGFIYEHJYSK-UHFFFAOYSA-N 350.787 2.560 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc3[C@@H]2C(F)F)C1 1875382291 XGNTWBROELCKPU-CXAGYDPISA-N 364.392 2.638 0 50 FFAA CC[C@@H](CNC(=O)C1(C(C)C)CC1)NC(=O)c1ccccc1N(C)C(C)=O 1875329338 RFBALBZCKSTUFD-INIZCTEOSA-N 373.497 2.730 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)CN(C)Cc3ccc(F)cc3)cc2N(C)C1=O 952977074 AOQUEWGAGMFRJR-ZDUSSCGKSA-N 371.412 2.640 0 50 FFAA CC(C)c1cc(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)nc(N)n1 952860354 MYQXHYRBOISRSC-UHFFFAOYSA-N 350.426 2.845 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2CNCc2c(F)cccc2-n2cccn2)cn1 886094195 SMELIZVPVZPMRE-KUHUBIRLSA-N 355.417 2.612 0 50 FFAA Cc1ccccc1[C@H](C(=O)Nc1cccc(-n2nnnc2C)c1)N(C)C 952981750 NUFKFJXDDYEJPW-GOSISDBHSA-N 350.426 2.521 0 50 FFAA Cc1nccc(N2CCN(C(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)n1 185924917 IURSBHIZUSEBOB-HNNXBMFYSA-N 363.465 2.729 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225408076 PFLZORCMAXJIOA-XHDPSFHLSA-N 353.344 2.695 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)N3CC[C@H](Oc4cccnc4)C3)c2O1 192641844 MOIMJTYARLESLL-INIZCTEOSA-N 374.462 2.637 0 50 FFAA COc1ccccc1N1CCC(NC(=O)c2cccc3c2OCO3)CC1 194900719 JLNZYPKJRBHRSO-UHFFFAOYSA-N 354.406 2.823 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2cc(-c3cccs3)nn2C)CC1 1529174492 WMIVKCLQUUGYRX-UHFFFAOYSA-N 370.482 2.864 0 50 FFAA CC(C)Oc1ccc2ccccc2c1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704313711 JCBLINZSZIIZPL-OYRHEFFESA-N 369.417 2.988 0 50 FFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cccc(C(=O)O)c3)C1)CC2 1704303362 HXRXCMMENUNCNE-FQEVSTJZSA-N 351.406 2.603 0 50 FFAA CC(C)Cc1nc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)no1 1704299726 RIVJHTXLRWECQX-VQIMIIECSA-N 366.465 2.852 0 50 FFAA O=C(CC1c2ccccc2CCc2ccccc21)NC[C@H]1COCCO1 12456341 IWHKBXXQFLCDBX-SFHVURJKSA-N 351.446 2.839 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)NC[C@@H]2CCCCN2C)no1 15065311 SYDWBGXOPVBTIS-KRWDZBQOSA-N 356.470 2.521 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 19533494 ICGPJYQGMGIENK-LJQANCHMSA-N 368.433 2.558 0 50 FFAA Fc1ccc([C@]2(CN3CCC(N4CCSCC4)CC3)CCOC2)cc1 19774360 COADADDVIIRYTA-FQEVSTJZSA-N 364.530 2.997 0 50 FFAA CCOC(=O)c1cccc(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)c1 169752868 QHHDHNZWPKNPJG-UHFFFAOYSA-N 370.405 2.622 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cn1 169754257 GTECJIUUQLCTEJ-CYBMUJFWSA-N 369.450 2.551 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)NCc1ccccc1)CCCCC3 169778288 ZBQWLMWKKQZPNQ-UHFFFAOYSA-N 364.449 2.549 0 50 FFAA CCOC(=O)c1coc(N2CCc3[nH]nc(-c4ccccc4)c3CC2)n1 1857670857 GKIVDTSMESHXKW-UHFFFAOYSA-N 352.394 2.847 0 50 FFAA CCOc1ccc(C(=O)N2CCN3C(=O)OC[C@]3(CC)C2)cc1Cl 1857679322 UICTXJCPZVRXQX-KRWDZBQOSA-N 352.818 2.796 0 50 FFAA CCCN1CCC2(CC1)OCCc1sc(C(=O)NC[C@H](O)CC)cc12 1857688684 WOLUKZQIAGPHHK-CQSZACIVSA-N 366.527 2.523 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)Cc3cccnc3)[C@H]3CC[C@]2(C1)O3 1857740062 GDKBAJBOTHWWCO-GPQLQYNLSA-N 369.509 2.576 0 50 FFAA Cc1cc(C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cc(O)n1 328614282 AFLHNNWZFNCMTQ-LLVKDONJSA-N 368.359 2.646 0 50 FFAA CNC[C@H]1CCCN(C(=O)CCc2cc(Br)ccc2OC)C1 237290119 LBUZSUZNABNKMX-CYBMUJFWSA-N 369.303 2.848 0 50 FFAA CCSc1ncc(CN2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)cn1 253489519 FMSIEHKNFGYBFK-SJORKVTESA-N 373.478 2.897 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 779850411 PRKISTIVNCXSMC-CZUORRHYSA-N 359.430 2.751 0 50 FFAA NC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 782533872 PCUCCOXKCSRBIA-UHFFFAOYSA-N 351.815 2.582 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704297515 BKOLKEAPLFJKNW-FGZHOGPDSA-N 368.525 2.768 0 50 FFAA CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 1063322 VGJPDJCPKWNYDR-LJQANCHMSA-N 358.463 2.937 0 50 FFAA CCNc1nc(NCC)nc(Oc2ccc(OCc3ccccc3)nn2)n1 1421253 FEAQYCLFFWGKRM-UHFFFAOYSA-N 367.413 2.897 0 50 FFAA C=Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](NC(=O)c4cn[nH]c4)C[C@H]3C2)cc1 2325854879 ZXSZXSNGDWSKTJ-AMBYYYRHSA-N 364.449 2.770 0 50 FFAA CN1CCN(Cc2nc3cc(Br)cnc3[nH]2)c2cnccc21 2325860076 WUSODQLDFXVVCT-UHFFFAOYSA-N 359.231 2.572 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)NC[C@H](O)c3ccc(Cl)cc3)c2n1 121713081 DTZDVOFABDZPHT-HNNXBMFYSA-N 358.829 2.771 0 50 FFAA Cc1ccc(S(=O)(=O)N2CC(=O)N(CCCc3ccccc3)C2=O)cc1 624827 KXSVJDYBXCZEKO-UHFFFAOYSA-N 372.446 2.581 0 50 FFAA O=C(O)CCC(=O)Nc1ccc(NC(=O)CC(=O)c2ccccc2)cc1 640477 DUXRKPCOBNFQQF-UHFFFAOYSA-N 354.362 2.701 0 50 FFAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 1065491 PJBPGJYVRBOYKK-SNVBAGLBSA-N 356.806 2.785 0 50 FFAA CCCCS(=O)(=O)N[C@@H]1CCC[C@@H](CN(C)CCc2ccccn2)C1 2356146479 IBKCIQVJISLPDB-IEBWSBKVSA-N 367.559 2.834 0 50 FFAA CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 3872132 NNJPGOLRFBJNIW-HNNXBMFYSA-N 371.433 2.955 0 50 FFAA biogenic,in-man CCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 4833841 DDRMEEVMANTQLG-JLHYYAGUSA-N 363.211 2.949 0 50 FFAA CC(C)COc1ccccc1CN(C)C(=O)C[C@H]1CCS(=O)(=O)C1 55369488 GOIHSPVIPHJUSM-OAHLLOKOSA-N 353.484 2.505 0 50 FFAA CC(C)N(CCSc1ccccc1)C(=O)C[C@H]1CCS(=O)(=O)C1 55100264 CNXQIQMAUHKSJI-OAHLLOKOSA-N 355.525 2.841 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cc(COc3ccccc3)[nH]n2)n1 67850792 GZYSMISXAHWULX-HNNXBMFYSA-N 353.426 2.793 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 421734067 BMDVWFZHLCWYPI-UHFFFAOYSA-N 362.861 2.743 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 25897454 QSOQZGNQOMMNNL-INIZCTEOSA-N 358.463 2.964 0 50 FFAA C[C@H](c1nnnn1C)N1CCC(c2ccccc2Br)CC1 470006061 LVBGJUQVKLTLBW-LLVKDONJSA-N 350.264 2.913 0 50 FFAA Cc1ccc(CN(C)S(=O)(=O)c2nc(C)c(Br)s2)o1 125509789 QEYMLCJRBXRFCV-UHFFFAOYSA-N 365.274 2.936 0 50 FFAA Cc1ccc(-c2ccnc(N3CCc4nnc(C(C)C)n4CC3)n2)c(C)n1 71707748 UWJOCMJIDHSPKH-UHFFFAOYSA-N 363.469 2.933 0 50 FFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(CO)n2)C1 77453180 NRYNAGNIYUHYPX-KRWDZBQOSA-N 352.434 2.628 0 50 FFAA C[C@H]1CCCCN1C1CN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 67954269 LPTILFVNRTZZBR-INIZCTEOSA-N 363.509 2.852 0 50 FFAA CCC1(CO)CCN(C(=O)c2cc(CN(C)Cc3ccccc3)on2)CC1 67821785 YGFQROKEUOSUCX-UHFFFAOYSA-N 371.481 2.931 0 50 FFAA O=c1n(CCCc2cccnc2)nc(C2CCNCC2)n1-c1ccccc1 67649822 ZAQGHBZYOVYTSP-UHFFFAOYSA-N 363.465 2.529 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)Cc2cccs2)n(C)n1 215606792 KNMJBRJUVCEBQX-NSHDSACASA-N 357.483 2.860 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccoc1 12454293 ZJOWNONUFBLABS-CYBMUJFWSA-N 352.312 2.829 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)C2=C(C)OCCC2)[C@@H]1c1cnn(C)c1 328630837 QGVPEIRWCFQQMF-QFBILLFUSA-N 360.502 2.736 0 50 FFAA Cc1cc(N2C(=O)[C@@H](C3CCOCC3)N=C2O)cnc1N1CCCC[C@@H]1C 329284328 LLKYPUVQPBZWSI-WMLDXEAASA-N 372.469 2.825 0 50 FFAA Cc1nc([C@H]2CN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CCO2)no1 329569772 UJAHPWVXJSXENB-OAHLLOKOSA-N 360.801 2.655 0 50 FFAA COc1ccc2cc([C@H]3CN(c4cc(OC)nc(N)n4)CCO3)ccc2c1 71615181 ATXNKCUHBJXBCD-QGZVFWFLSA-N 366.421 2.807 0 50 FFAA CCN1C[C@]2(CCCN(C(=O)c3snnc3C(C)C)C2)CCC1=O 72474696 VHPBLJGKNVZZJT-KRWDZBQOSA-N 350.488 2.526 0 50 FFAA CN1CCC[C@H]2CN(C(=O)CCc3nc(-c4cccs4)no3)CC[C@@H]21 155700048 MWHICYKRFAHLEI-KBPBESRZSA-N 360.483 2.673 0 50 FFAA Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cnc(-c3ccsc3)s2)n1 330285778 ABPLVJKZCKJOGZ-WDEREUQCSA-N 362.436 2.511 0 50 FFAA Cn1c(CN(Cc2ccccc2)[C@@H](CO)C2CC2)nc2ccccc2c1=O 156027744 HZKNYEVCHNRXRY-FQEVSTJZSA-N 363.461 2.707 0 50 FFAA C[C@@H](OCC(=O)N1CCC2(CC1)OCc1ccccc12)c1nccn1C 367803688 IHTKOUHQTOGWSX-OAHLLOKOSA-N 355.438 2.546 0 50 FFAA CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)c(=O)n(C)c2)CC1=O 156141967 BLNIEVQFORNYMR-ZDUSSCGKSA-N 373.840 2.593 0 50 FFAA CC[C@@H]1CN(C)c2ccccc2CN1CCN1C(=O)NC2(CCCC2)C1=O 127357079 LJTJPLRGMUFOBP-QGZVFWFLSA-N 370.497 2.582 0 50 FFAA CCc1ccc(CN2C[C@@H](C(=O)N3CCC4(CCCO4)CC3)CC2=O)cc1 71768092 TTYVPGFXCUGIKZ-IBGZPJMESA-N 370.493 2.769 0 50 FFAA CC(C)c1noc([C@H]2CCCN2CCCOc2ccc(C(N)=O)cc2)n1 77420421 KVAACFQNYHHZNZ-MRXNPFEDSA-N 358.442 2.898 0 50 FFAA COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 34173499 WLPJOHSPBBUIQG-LBPRGKRZSA-N 360.451 2.748 0 50 FFAA Cc1sc(CCNC(=O)c2ccc(=O)n(C)c2)nc1-c1ccccc1 175760802 SCIBZOUXDBNXHH-UHFFFAOYSA-N 353.447 2.790 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C)c2cc(F)ccc21 286895279 YTKCQTTTYFZXNR-RHSMWYFYSA-N 358.417 2.603 0 50 FFAA CCc1noc([C@@H]2CCCN2C(=O)C(C)(C)NC(=O)c2cccs2)n1 221176263 KAMWRKYFTMYBFW-NSHDSACASA-N 362.455 2.566 0 50 FFAA O=C(c1cccc(F)c1)N1CCC(n2cc(-c3cccnc3)nn2)CC1 48101474 GQGXIFFRXSWPPU-UHFFFAOYSA-N 351.385 2.957 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)[C@H]2CCc3ccccc32)n1 426699918 KMBHAHCKSNILOG-SFHVURJKSA-N 352.482 3.386 0 50 FFAA O=C(c1nccs1)c1cccnc1N[C@@H]1COCC[C@@H]1OCC1CC1 222948540 QWEWBLBQDMZLIH-CABCVRRESA-N 359.451 2.765 0 50 FFAA Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc3n(n2)CCO3)cc1 291419807 GFYGHWSRLSWFFY-UHFFFAOYSA-N 353.344 2.831 0 50 FFAA O=C(c1cncc(C[C@H]2CC(=O)N(c3ccccc3)C2)n1)N1CCCCC1 222339342 STLSKEKZYUMJJC-INIZCTEOSA-N 364.449 2.698 0 50 FFAA O=C(c1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cc1)N1CCCCCC1 426493899 CBUIBJJNCLWBGH-GOSISDBHSA-N 366.465 2.731 0 50 FFAA NC(=O)c1cncc(N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)n1 426693694 HQJFGLTXHBDMQF-OAQYLSRUSA-N 371.529 2.838 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 95498099 NNZJGSQWXRWRAF-AWEZNQCLSA-N 370.428 2.866 0 50 FFAA Cc1c(NC(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cccc1N(C)C 180148669 JUFBPPGCPDYMPJ-OAHLLOKOSA-N 360.502 2.778 0 50 FFAA C[C@H](CCNC(=O)c1cccc(-c2ccc(O)cc2)c1)N1CCN(C)CC1 97492412 TWVUUHPOZIPESU-QGZVFWFLSA-N 367.493 2.815 0 50 FFAA CNC(=O)c1cc(NC(=O)N(C)CC[C@@H](O)c2ccccc2)ccc1OC 95512345 BLIQBSKBGIENDB-QGZVFWFLSA-N 371.437 2.642 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(C3CC3)[nH]n2)CC1 97805753 KXICJMWNZMTOGF-UHFFFAOYSA-N 367.497 2.851 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cnc(-c2ccncc2)nc1 95378458 FSCPMWAGNYWTFC-FQEVSTJZSA-N 373.460 2.933 0 50 FFAA COc1cccc([C@H](O)CNC(=O)c2cnc(Nc3ccccc3)nc2)c1 96150540 RIRVSFYENGNMJP-GOSISDBHSA-N 364.405 2.692 0 50 FFAA Cc1nc(NCCN2CCC[C@H](c3ccccc3)C2)c2cnn(C)c2n1 95358322 DDBCYVXZMZHCLY-KRWDZBQOSA-N 350.470 2.963 0 50 FFAA COc1cc2c(cc1CNC(=O)c1coc(CN3CCOCC3)c1)CCC2 95379600 UCHHZKIUYJAPAZ-UHFFFAOYSA-N 370.449 2.539 0 50 FFAA COc1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3cccc(OC)c3)C2)c1 92045878 MJBFHOIOCLNBOA-ZWKOTPCHSA-N 355.390 2.644 0 50 FFAA CN1CCN(C(=O)Nc2ccccc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 91650249 XRBPCRRGQLJELJ-NRFANRHFSA-N 370.497 2.627 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCCC(N)=O)CC2)C1 91693754 HYZIYHZZLHAMCR-IBGZPJMESA-N 371.525 2.760 0 50 FFAA CCOc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC)cc1 91620564 DOEBKMPEQYNRMI-UHFFFAOYSA-N 368.481 2.818 0 50 FFAA Cc1nc([C@@H](C)N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)c(C)s1 244900097 ZVZJXACHAXQGQQ-LLVKDONJSA-N 360.483 2.880 0 50 FFAA CC(=O)c1cn(CC(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)c2ccccc12 244719182 LYKGLLRIUWZOGC-WKILWMFISA-N 365.437 2.736 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)Nc1ccccc1Oc1cccnc1 299765070 ULXXYIIASWMCJM-INIZCTEOSA-N 370.453 2.842 0 50 FFAA CN(Cc1ccc2ncccc2c1)C(=O)N[C@@H]1CCCN(C(=O)C2CC2)C1 584893082 JXHLOSQYRHRTAF-GOSISDBHSA-N 366.465 2.777 0 50 FFAA Cn1ncc(NC(=O)[C@H]2CCOC3(CCCCC3)C2)c1-c1cnccn1 1875299336 HYPZUFLKAPLKBV-AWEZNQCLSA-N 355.442 2.945 0 50 FFAA O=C(N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1)[C@]12CCC[C@H]1C2(F)F 1875296129 GNNGCKVPNCUICB-QAPCUYQASA-N 373.407 2.556 0 50 FFAA CCN=c1cc(-c2cn([C@H]3CCCN(c4ccccc4)C3=O)nn2)cc[nH]1 1875318590 UTAGIDFNWDLJRZ-SFHVURJKSA-N 362.437 2.562 0 50 FFAA C=CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc3nc(C)sc3c2)C12CCC2 1875386058 IAZZRCVNPTWTKA-JKSUJKDBSA-N 355.463 2.948 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(OCc3cccnc3)cc2)cn1 1875381890 KGSMQUPOPHCRDC-KOSHJBKYSA-N 350.422 2.657 0 50 FFAA COC/C(C)=C/C(=O)N1CCOC[C@@H]1c1c(C)nn(-c2ccccc2)c1C 952886989 HNEPDHHAEIXOFU-LBKOFNPBSA-N 369.465 2.982 0 50 FFAA Cc1cc(S(=O)(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)sc1C 275329059 QDHFIHSZIPHLSM-LBPRGKRZSA-N 371.484 2.634 0 50 FFAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1C[C@H](O)CN1 277619479 QUIZVTDJLVCMFC-QCZZGDTMSA-N 365.886 2.672 0 50 FFAA Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1cc[nH]n1 170638021 FBGLFCBGFDBIOP-UHFFFAOYSA-N 374.242 2.905 0 50 FFAA C[C@@]1(C(=O)NCCn2c(S)nnc2C2CC2)CCc2ccccc2C1 170644355 PSYAIWOWCUALGB-LJQANCHMSA-N 356.495 2.756 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1C[C@@]12CCCc1ccccc12 170644363 IGCHSJZFWLLKHE-OXQOHEQNSA-N 368.506 2.855 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N1CC[C@@H](COCc2ccccc2)C1 188398478 KRRWAQJZCGDYLH-QGZVFWFLSA-N 353.466 2.896 0 50 FFAA Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)c2cnn(C)c2n1 190667920 HQCRGYFSAHIXJF-ZDUSSCGKSA-N 366.421 2.640 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 192402161 ZIQJCXQLBCMRDU-PELKAZGASA-N 357.193 2.714 0 50 FFAA C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCN(c2cccc(O)c2)CC1 193814894 FLCMDBZWYPUHCL-LPHOPBHVSA-N 361.486 2.819 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)nc(N)n1 1506421525 HVCWFVBCCJWDAZ-INIZCTEOSA-N 367.497 2.856 0 50 FFAA Cc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)n1 216874683 XQYXCSVTNHXDNI-WBVHZDCISA-N 356.495 2.907 0 50 FFAA Cc1noc(C)c1CC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1616068413 BSMLPMFDBRUALM-OXQOHEQNSA-N 365.433 2.756 0 50 FFAA CC(C)Cn1cncc1CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 1616106104 SQWDNIWXXOKKCQ-SJORKVTESA-N 371.437 2.568 0 50 FFAA COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)c1 5400123 YFSKRGAOZKPNCZ-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA CC(=O)c1ccccc1NC(=O)Cn1cnc2cc(Cl)ccc2c1=O 5613595 CRSVKLATIKTGHV-UHFFFAOYSA-N 355.781 2.891 0 50 FFAA O=C(NCc1cc(C2CC2)[nH]n1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12203560 JDUJQMXTVRJIJU-OAHLLOKOSA-N 358.486 2.865 0 50 FFAA Cc1cccc(-n2cc(CN(C)C[C@H](O)CO)c(-c3cccc(F)c3)n2)c1 12591452 GUAHLOZDPFOOEP-FQEVSTJZSA-N 369.440 2.772 0 50 FFAA C[C@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)C[C@@H](C)O1 13139211 PVTOMWGWUQTZET-KHQFGBGNSA-N 355.070 2.518 0 50 FFAA COc1ccc(C(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cc1 15062058 DIGWUADNARYNSW-OAQYLSRUSA-N 356.466 2.950 0 50 FFAA c1ccc2sc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc2c1 19324178 PXZBOROYRGKLFJ-UHFFFAOYSA-N 367.434 2.813 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(-n2cccn2)c1 19661751 MJNZNWCBPCPMRH-UHFFFAOYSA-N 359.389 2.611 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)N1CCC[C@@H]1c1ccccn1 19884109 IGOBWIQGNYYKMH-QGZVFWFLSA-N 354.385 2.977 0 50 FFAA Cc1ccc(-c2cc3n(n2)[C@H](NCCc2cccs2)CNC3=O)cc1 169754488 ZVMKRPSXVUJRRV-SFHVURJKSA-N 352.463 2.994 0 50 FFAA CCN=S1(=O)CCC2(CC1)CN(C(=O)C1CC(C(C)(C)C)C1)CCO2 1857528042 ZDSFZJOTNSCCHR-UHFFFAOYSA-N 370.559 2.938 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCCn1ccnc1CC 1857668894 DFWRJWYAMQAFRI-UHFFFAOYSA-N 370.482 2.742 0 50 FFAA OC[C@H]1CCCCN1CCn1ccnc1-c1ccnn1-c1ccccc1 1857702952 JUJJNHNPIGSSQX-GOSISDBHSA-N 351.454 2.583 0 50 FFAA O=C1C[C@H]2N(Cc3cccc4ccnn34)CC[C@]23O[C@@H](c2ccccc2)CN13 1857708915 UABPEPYNHVLAPU-SJBKTWHCSA-N 374.444 2.609 0 50 FFAA COc1cc(Cl)cc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857712499 PSGHOSXBGGLYNW-DODZYUBVSA-N 364.873 2.530 0 50 FFAA O=C1CCOC2(CCN(c3ncccn3)CC2)CN1CC1CCCCC1 1857737381 KCESGSLONRVAFG-UHFFFAOYSA-N 358.486 2.645 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857740765 YOAIIFLUCHCHSL-JZJXAQOMSA-N 372.509 2.720 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1Cl 408394037 MFUVMDXRAJXICW-ZKYQVNSYSA-N 361.891 2.827 0 50 FFAA C[C@@H]1OCC[C@]1(O)CNC(=O)c1cnc(-c2ccccc2Cl)s1 225723447 VSTXUADOHDDXDO-QFYYESIMSA-N 352.843 2.733 0 50 FFAA Cc1ncsc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328619763 GEMWMYRVKUNDGT-CQSZACIVSA-N 358.467 2.740 0 50 FFAA CC(=O)N1CCN(Cc2nc(N3CCCCCC3)c3ccccc3n2)CC1 12122227 OGEJMVSEMLGBLM-UHFFFAOYSA-N 367.497 2.674 0 50 FFAA O=C(O)CCCNC(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 263067212 OGXYQUKELPYJMR-UHFFFAOYSA-N 351.472 2.776 0 50 FFAA Cc1c(CC(=O)N2CCC[C@H](N3CCCC3)CC2)nnn1-c1ccccc1 265691005 YBBCYNIQNOZZQG-SFHVURJKSA-N 367.497 2.595 0 50 FFAA COC(=O)c1cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)nn1C 824179593 CQZZBGPRCSQSMS-MRXNPFEDSA-N 354.410 2.966 0 50 FFAA CN1CCc2c(NC(=O)NCc3nc4c(s3)CCCC4)cccc2C1=O 931949249 HSSBGDWYRQNPBK-UHFFFAOYSA-N 370.478 2.972 0 50 FFAA COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)NCc1ccccc1 1857799229 RVPKEGYOGFQFKY-UHFFFAOYSA-N 372.402 2.607 0 50 FFAA N[C@H](C(=O)NC[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 876552634 XTLIMXVPMBMBML-BBRMVZONSA-N 366.339 2.661 0 50 FFAA CC(=O)Oc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1 636006 AZFUKPSFXJUWLO-UHFFFAOYSA-N 363.325 2.827 0 50 FFAA O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCCCC2)c1 753317 RGJPQOSOUONEOK-UHFFFAOYSA-N 362.245 2.712 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCc2ccc(OC)cc2)c1 995266 ILWVAUSJUDLCND-UHFFFAOYSA-N 371.389 2.840 0 50 FFAA O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 2858374 RATXYXQLLPEQRO-UHFFFAOYSA-N 357.313 2.676 0 50 FFAA COc1cccc(OC[C@@H](O)Cn2nc(C)c(Br)c2C)c1 4313942 BGCDBVQLRVCQBJ-LBPRGKRZSA-N 355.232 2.711 0 50 FFAA COc1ccc(C(=O)N(c2cccc(OC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 6730358 IFNRMFIJWAPMCF-MRXNPFEDSA-N 373.430 2.661 0 50 FFAA CCOc1ccc(Br)cc1S(=O)(=O)NCc1cccnc1 7059622 VTXJFJNNMFHMFU-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA Cc1nc(NCc2ccoc2)sc1-c1ccn(CCN2CCOCC2)n1 20450819 HBRWRHRCEGTJNN-UHFFFAOYSA-N 373.482 2.852 0 50 FFAA CCN1C[C@@H](CN(C)Cc2cnc3c(-c4ccccc4)cnn3c2)CC1=O 67954796 GTBDDLUKJVXDLC-MRXNPFEDSA-N 363.465 2.697 0 50 FFAA CC(C)(C)c1csc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)n1 61719317 SROILZFOBGKXLE-UHFFFAOYSA-N 360.483 2.905 0 50 FFAA CC[C@H]1CN(C(=O)c2coc(COc3cccc4cnccc34)n2)CCN1 67881828 KXMHDEHFORKZHM-HNNXBMFYSA-N 366.421 2.626 0 50 FFAA CC(C)c1cc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n[nH]1 20536099 ZPNUCKOGEHGVNG-SFHVURJKSA-N 360.477 2.741 0 50 FFAA CC(C)c1ocnc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 65425388 OHCBBMVWUBIVQB-UONOGXRCSA-N 358.394 2.517 0 50 FFAA CC(C)(C)c1ncc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)s1 136816192 OUBLTMXLUBSIIW-ZDUSSCGKSA-N 351.516 2.671 0 50 FFAA O=C(NS(=O)(=O)Cc1ccc(Cl)nc1)[C@@H]1CSc2ccccc21 118600222 XWGPNPNWXBIXKT-GFCCVEGCSA-N 368.867 2.571 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccc2nnnn2c1 67605011 HPCZNXHAXFNDGY-UHFFFAOYSA-N 374.404 2.858 0 50 FFAA COc1cc(C(=O)N2CCN(C[C@H](O)CC3CCCC3)CC2)ccc1C 252493976 NHVZSSBDAFUQAH-LJQANCHMSA-N 360.498 2.703 0 50 FFAA C[C@@H](Oc1ncccc1C(=O)NCCC(=O)N1CCCCC1)C(F)(F)F 252485744 HCTRHEWLFONSDC-GFCCVEGCSA-N 373.375 2.544 0 50 FFAA CCc1nnc(SCc2csc(N(C(C)=O)c3ccccc3)n2)n1N 121665295 UIKSEGJRBUFLMB-UHFFFAOYSA-N 374.495 2.988 0 50 FFAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCC2)nc1 67920521 UCDKYYDFIJHBBX-INIZCTEOSA-N 353.422 2.594 0 50 FFAA CC[C@@H]1CC[C@H](C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328635103 ULNNVUGJRKGFRG-YNEHKIRRSA-N 359.392 2.880 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179202 JQBIIYXKEFVGST-BDJRERGKSA-N 356.466 2.735 0 50 FFAA Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1 4165656 BQHBXHPCZZZMKX-UHFFFAOYSA-N 359.389 2.529 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 363294595 BJZQIJOMUPPKRB-GOSISDBHSA-N 355.413 2.841 0 50 FFAA CC(=O)N[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1c1ccc(C)cc1 77506038 KBTWJXVFNIXOLK-VQTJNVASSA-N 369.465 2.663 0 50 FFAA CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)N(C)C(C)C)CC1 363951150 XVXFPFJNYBSORV-UHFFFAOYSA-N 350.438 2.756 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(Cc2ccc(OCC(N)=O)c(Cl)c2)C1 215083465 RFKHWKGARLUVPU-HXUWFJFHSA-N 374.868 2.606 0 50 FFAA COc1ccccc1-c1cc(C(=O)NCCN2CCc3ccccc32)[nH]n1 216436925 KIZOVODGZRJQHW-UHFFFAOYSA-N 362.433 2.878 0 50 FFAA Cc1nc(CN2CCC[C@H](NCc3c[nH]nc3-c3ccccc3)C2)no1 369270273 LICATAYOGVZAMF-KRWDZBQOSA-N 352.442 2.522 0 50 FFAA O=C(CC1CCCCC1)N1CCN(C(=O)c2cncnc2C2CC2)CC1 333179124 LIQWDMWFVZVUDZ-UHFFFAOYSA-N 356.470 2.609 0 50 FFAA Nc1nccnc1C(=O)N(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 133132425 JUKVCSGWYKSELS-QFIPXVFZSA-N 374.444 2.535 0 50 FFAA CCOC(=O)C1CCC(O)(CN2CC[C@@H](n3cc4ccccc4n3)C2)CC1 370706643 MRQULBPNOBXCQD-NCYVPVAZSA-N 371.481 2.768 0 50 FFAA O=C(c1ccc2nnnn2c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71749809 XXIWGRIBKGZFKT-HNNXBMFYSA-N 353.401 2.748 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCC(c3cc(=O)nc(C)[nH]3)CC1)CO2 216168475 MXRLWZINKKSKEV-UHFFFAOYSA-N 367.449 2.742 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)[nH]1 71762057 JZLUMFRXXJZLKY-MRXNPFEDSA-N 357.429 2.631 0 50 FFAA c1ccc(CO[C@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)nc1 72154325 WKIAQDXQYPJWJG-IBGZPJMESA-N 353.470 2.653 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77285666 NGEFLHWAORGCDZ-MRXNPFEDSA-N 360.377 2.985 0 50 FFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cc2F)C1 42199181 BSOLDPUTXCMYFD-SNVBAGLBSA-N 372.238 2.920 0 50 FFAA Cc1nc(CN(C)C(=O)c2cccc(-c3cc(NC(C)C)ncn3)c2)no1 426506575 HPNGWMMNSPDDCB-UHFFFAOYSA-N 366.425 2.928 0 50 FFAA CC(C)Nc1ncc(CN2CCC3(CC2)Nc2ccccc2NC3=O)cn1 82117011 HMWXFQRZONNGQU-UHFFFAOYSA-N 366.469 2.696 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(NCc2cc(-c3ccc(F)cc3)no2)n1 95381285 RETIPJGVVHDMMR-UHFFFAOYSA-N 362.386 2.595 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)on1 91663612 NYBFXPMJCZGOGA-INIZCTEOSA-N 365.437 2.897 0 50 FFAA COc1ccccc1-c1ncc(CN2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cn1 426401927 PMULIXRRALJEDA-NBHGPNQESA-N 369.465 2.657 0 50 FFAA CN(C)[C@H](C(=O)NCCc1noc(-c2ccccc2)n1)c1ccc(F)cc1 95370247 JMBPWRBGXCSDII-SFHVURJKSA-N 368.412 2.837 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(C(=O)c2cnco2)C1 95501447 YAGGGUQSFWZJCY-CQSZACIVSA-N 365.393 2.556 0 50 FFAA Nc1nc(CNC(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 95504682 LKZDPIWAYLUDHK-OAHLLOKOSA-N 355.829 2.879 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@]12CCN(Cc1cc(C3CC3)on1)C2 91486736 NZOOUIPVPBCSNL-HXUWFJFHSA-N 359.470 2.546 0 50 FFAA CCc1n[nH]c(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1Br 294244835 BDTIPROKAOZIFB-UKRRQHHQSA-N 354.248 2.518 0 50 FFAA CCCn1c(C)c(CC(=O)NCc2noc(C)n2)c2c1CC(C)(C)CC2=O 95530354 QKEBNJUJEDUQLR-UHFFFAOYSA-N 372.469 2.912 0 50 FFAA O=C(CN1CCC(N2CCSCC2)CC1)Nc1ccc(Cl)cc1F 244858427 VKXZQYGNAXRKNO-UHFFFAOYSA-N 371.909 2.931 0 50 FFAA CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 299405858 ONEGKEIGAYMAGB-GOSISDBHSA-N 365.433 2.566 0 50 FFAA COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 263969613 LSIJFLVCXPCSFC-UHFFFAOYSA-N 370.858 2.581 0 50 FFAA c1ccc(-c2nc3c(c(N4CCN(Cc5ccon5)CC4)n2)CCC3)cc1 55271401 VEJDEEBHHUIIKB-UHFFFAOYSA-N 361.449 2.943 0 50 FFAA CCCCc1ccc(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cc1 299802821 QNZGNFSBJIYCIK-IIZPIQPGSA-N 373.493 2.658 0 50 FFAA COc1ccc(C(=O)N[C@@H]2COC3(CCCCC3)C2)cc1OCCCN 299799986 XKCFKJXGVIIVCU-INIZCTEOSA-N 362.470 2.644 0 50 FFAA COc1cc(F)c(C(=O)Nc2ccc(OC)c(C(=O)N(C)C)c2)c(F)c1 824557967 IBRUMEFYISREGC-UHFFFAOYSA-N 364.348 2.936 0 50 FFAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)NC1CCNCC1 828015619 WKRZGLPCBRYYTM-GOSISDBHSA-N 364.921 2.918 0 50 FFAA O=C(COc1ccc(F)cc1F)NCc1nncn1C1CCCCC1 827841808 DUHWYJIBPVRTBC-UHFFFAOYSA-N 350.369 2.757 0 50 FFAA O=C1COc2ccc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)cc2N1 584884349 AHBZOMPWBPNMRE-MRXNPFEDSA-N 352.390 2.593 0 50 FFAA O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(C(F)F)o1 871401717 ZBWZPYDBHSEICG-UMSPYCQHSA-N 355.362 2.952 0 50 FFAA Cc1nnc([C@H]2CN(C(=O)[C@H]3C[C@@](F)(c4cccc(F)c4)C3)CCO2)o1 1875310250 KIJJHDCTRSRDEY-CDHAZOANSA-N 363.364 2.692 0 50 FFAA O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 888099931 FESYJSREHNPIPR-IYOUNJFTSA-N 359.445 2.914 0 50 FFAA CCOc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c1 1565526171 FWTPQHSJWWDKIE-IRXDYDNUSA-N 362.451 2.646 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3nnc(C4CC4)o3)C2)N1Cc1ccccc1 1565526901 GCQGZRPRNMAMOK-SJORKVTESA-N 352.438 2.570 0 50 FFAA COC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1c(C)cccc1C 170598306 QYXVSTVOBYOSJV-HNNXBMFYSA-N 369.389 2.774 0 50 FFAA CCOc1cc(CNC(=O)N2CCC[C@H](c3nc(C)no3)C2)ccc1OC 172037206 QVPDONXDEIEHOG-HNNXBMFYSA-N 374.441 2.875 0 50 FFAA Cn1cncc1CCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 188959848 YGTRERABQYQDMZ-UHFFFAOYSA-N 355.438 2.710 0 50 FFAA O=C(O)c1cccc(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 191650012 HZIIIDKLKPTHKX-HNNXBMFYSA-N 358.781 2.574 0 50 FFAA C[C@H](C(=O)NCc1nnc(C2CC2)o1)N1CCC(Cc2ccccc2)CC1 193998626 SVDCFFUFVDYCHK-OAHLLOKOSA-N 368.481 2.906 0 50 FFAA O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1nc2cccnc2s1 193927810 SDYDCLRXTYZENY-INIZCTEOSA-N 366.490 2.986 0 50 FFAA O=C(c1cnc(-c2ccc3c(c2)CCO3)s1)N1CCO[C@H](C(F)F)C1 194135983 GRMXIWNUCFHWRS-ZDUSSCGKSA-N 366.389 2.851 0 50 FFAA COc1cccc(SCC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)c1 222136774 BKVPREYITLVVOG-CVEARBPZSA-N 374.506 2.647 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4cccc(Cl)c4n3C)C[C@H]2O)on1 1704336411 HLMALHAPIYGMDH-CXAGYDPISA-N 373.840 2.804 0 50 FFAA O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCOCC1 5027319 IKDFXMQOMDDMHL-UHFFFAOYSA-N 365.838 2.645 0 50 FFAA CC(C)N1CCC2(CC1)C[C@@H]2C(=O)NCCc1nc2ccccc2n1C 12150519 SIDVYSZBPOYICU-MRXNPFEDSA-N 354.498 2.743 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC[C@@H](C)C2)c1=O 12280035 JJYKZVFDVILKOR-OAHLLOKOSA-N 361.486 2.687 0 50 FFAA O=C(NC1CCCC1)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12305566 XYURVSKGDAZLSO-LJQANCHMSA-N 370.541 2.817 0 50 FFAA CCCn1ncc(C(=O)N2CCO[C@H](Cc3cccc(OC)c3)C2)c1C 15067257 GMNFECFTXPMHJX-GOSISDBHSA-N 357.454 2.694 0 50 FFAA CCN(CCO)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857667950 MGUNPZCWNDDEKT-ZDUSSCGKSA-N 365.861 2.929 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)c2cc(C)ncc2OC)cc1 1857673483 UIBFAISAKPWWQU-UHFFFAOYSA-N 352.394 2.727 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 212597632 UEXFZOIVYCCGNG-QAPCUYQASA-N 365.433 2.547 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 213420601 HLPWTVOMNOWOBE-CVEARBPZSA-N 374.448 2.608 0 50 FFAA Cn1cc(N2CCC[C@@H](N3CCC(COc4ccccc4)CC3)C2=O)cn1 119875350 LQFXQSLNDKGUGG-HXUWFJFHSA-N 368.481 2.707 0 50 FFAA O=C(c1coc(C2CCOCC2)n1)N1CCO[C@@H](c2ccccc2F)C1 329934056 JOJAZYVPGPYELN-QGZVFWFLSA-N 360.385 2.921 0 50 FFAA O=C1COc2cc(N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)ccc2N1 151805932 IDKGCQLUTIMCTP-OAHLLOKOSA-N 357.797 2.888 0 50 FFAA O=C(NCC1CCS(=O)(=O)CC1)N1CCC[C@H]1CCc1ccccc1 153374466 UBAIBGLWTCSTQF-SFHVURJKSA-N 364.511 2.618 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CC12CCNCC2 262124762 MTFZWJGUEZSFRA-LJQANCHMSA-N 364.493 2.693 0 50 FFAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12CN(C(=O)OC(C)(C)C)C2 381772180 SRUDCLUSLCNCPB-QGZVFWFLSA-N 374.481 2.919 0 50 FFAA CS(=O)(=O)Cc1noc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)n1 163664738 VBLXZPWTDLPNRO-CRAIPNDOSA-N 361.467 2.516 0 50 FFAA CN1CCC[C@]2(CO)CCN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 1704325953 PPMJCOWWJTUZRT-IAGOWNOFSA-N 358.404 2.864 0 50 FFAA FC(F)(F)c1ccc(-n2cc(CN[C@@H]3CCc4nn[nH]c4C3)cn2)cc1 2325777600 NSIRUHYYEYBUAU-CYBMUJFWSA-N 362.359 2.656 0 50 FFAA CC1(C)[C@H](N)C[C@@H]1CC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 2325799797 YIRYSZPJBOBQHK-IUODEOHRSA-N 352.425 2.538 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)C1CC(OC(F)(F)F)C1 2325848965 XSYFDEZLFHMXAR-UHFFFAOYSA-N 357.307 2.943 0 50 FFAA Cc1cc(-n2ccnc2)ccc1C(=O)N1CCN[C@@H](Cc2ccccc2)C1 2325857597 IBNJAYJWYGEPHI-IBGZPJMESA-N 360.461 2.837 0 50 FFAA O=C1Cc2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2N1 2325866279 GNCQPNXTZHGPSC-UHFFFAOYSA-N 367.224 2.745 0 50 FFAA CCCCC(=O)NCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)CC2 2325867355 SYTHQGONHTXWBS-CQSZACIVSA-N 359.470 2.728 0 50 FFAA CC(=O)Nc1nc(C)c(S(=O)(=O)N(C)c2ccc(Cl)cc2)s1 2332239458 YIXJAOPJUWNYMG-UHFFFAOYSA-N 359.860 2.888 0 50 FFAA COc1ccc(C(=O)N(C)c2ccccc2)cc1S(=O)(=O)N1CCCC1 1136498 ANCPHDZCYVNPAQ-UHFFFAOYSA-N 374.462 2.756 0 50 FFAA CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 3005179 LXPGXAODTAMDIW-UHFFFAOYSA-N 370.902 2.967 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1=O 2356170946 WGCQBPASMLVMNN-IBGZPJMESA-N 372.856 2.957 0 50 FFAA COc1cc(N)c([C@@H](O)c2nccc3cc(OC)c(OC)cc23)cc1OC 4414691 QKBFGCBOUJORPE-HXUWFJFHSA-N 370.405 2.933 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1OC 4894537 UYOJBKFIFVXBNI-CVEARBPZSA-N 361.438 2.810 0 50 FFAA O=C(Nc1nccs1)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101887927 RIMRKDGYTXWJAT-UOVKNHIHSA-N 365.414 2.707 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@](O)(c2ccccc2)CC1 225674837 CPDMNFCDWZYPLT-JOCHJYFZSA-N 368.477 2.685 0 50 FFAA O=C(Nc1ccccc1O[C@H]1CCOC1)N1CC(O)(c2ccc(F)cc2)C1 225853011 VAHPPKJHOFUPAW-INIZCTEOSA-N 372.396 2.729 0 50 FFAA COc1cccc(-c2noc3c2CN(C(=O)c2cnc(C)cn2)CC3)c1 20777562 YIQPJXPQRXVJSB-UHFFFAOYSA-N 350.378 2.647 0 50 FFAA O=C(CN1CCOCC1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 65365005 ZNTTYNWBCIUDOM-UHFFFAOYSA-N 373.840 2.863 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)sc1-c1ccccc1 67676515 XHKDVJIZJUJPNA-HOTGVXAUSA-N 371.506 2.790 0 50 FFAA CCCN(C)Cc1cn(C2CCN(C(=O)c3[nH]c(C)cc3C)CC2)nn1 23214595 GSWBOTTWPOJYAD-UHFFFAOYSA-N 358.490 2.542 0 50 FFAA CC(C)N(C)c1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2F)cn1 252498216 QWZBYQZXTHSOJU-IBGZPJMESA-N 356.445 2.738 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 252515442 KAYXOUPZBXPYEA-WMHQRMGPSA-N 354.431 2.949 0 50 FFAA Cn1c(Cl)cnc1CN(Cc1nccs1)[C@@H]1CC12CCNCC2 328607984 XWWUOFDFDIZAMD-GFCCVEGCSA-N 351.907 2.674 0 50 FFAA CCCN1CCC(CC(=O)N2CCC(c3nnc4ccccn34)CC2)CC1 65409986 MXWDBCSCPBGNHS-UHFFFAOYSA-N 369.513 2.947 0 50 FFAA Cc1ccnc(N2CCN(C(=O)[C@@H]3CCc4cc(C)ccc4O3)CC2)c1 476366862 RALRAPSOOILANP-IBGZPJMESA-N 351.450 2.741 0 50 FFAA O=C(NC[C@]1(O)CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 215778929 ZWQWHVATYKBAAT-ZDUSSCGKSA-N 370.293 2.569 0 50 FFAA CCN(CCN1CCCC1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 72169554 AKMYYEVPQJQWDZ-UHFFFAOYSA-N 361.877 2.538 0 50 FFAA OCc1ccc(-c2nccn2CCc2csc(-c3ncccn3)n2)o1 77386089 VJTUNZOPKPTRCL-UHFFFAOYSA-N 353.407 2.792 0 50 FFAA O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CC(Oc2ccccc2F)C1 218826741 GZBRAEJOQBUIIY-SJORKVTESA-N 374.456 2.844 0 50 FFAA CC(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72164242 PKFNQSNZLKYEQO-FQEVSTJZSA-N 367.493 2.693 0 50 FFAA COc1ccccc1OC1CCN(C(=O)Cc2ccc(CO)cc2)CC1 72425342 YYMNIBDYWJXZEN-UHFFFAOYSA-N 355.434 2.800 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)c2c(C(C)C)noc2n1 371638435 RDWMJBLHNSYIAT-CYBMUJFWSA-N 371.397 2.560 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)CCn2nc(C)c(C(C)=O)c2C)C1 77505273 OUCPIQFYGJENNY-KRWDZBQOSA-N 371.485 2.784 0 50 FFAA CC(C)OCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 72168461 ANCRKFPSVURBDL-SFHVURJKSA-N 364.461 2.836 0 50 FFAA CCc1cc(NCCn2ncc3ccccc3c2=O)n2nc(C)c(C)c2n1 72479731 AFQVLQCOSZVVJX-UHFFFAOYSA-N 362.437 2.731 0 50 FFAA O=C(NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)N1CC[C@@](O)(C(F)(F)F)C1 240444281 FXELUNISUHJDRF-IVSAIRAKSA-N 354.372 2.671 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)NCCc1noc(C2CCCC2)n1 216388727 UDRNDVJYBMPTPB-UHFFFAOYSA-N 357.410 2.747 0 50 FFAA CC(C)n1nccc1C(=O)N1CCOC[C@H]1c1nnc(-c2cccs2)o1 285826405 AIKCXINNIHQZJM-ZDUSSCGKSA-N 373.438 2.789 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2 220692963 RGTBPWMMVVBUJH-LBPRGKRZSA-N 359.861 2.882 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)C1 82087061 AGTYPNFOHSEANF-IBGZPJMESA-N 358.413 2.727 0 50 FFAA CSc1ccc(CC(=O)N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 82127694 MMALIXBRTIEWFM-OAHLLOKOSA-N 357.479 2.749 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1ccccc1C(F)(F)F 426442933 MGNCCYSWTKPZMG-CQSZACIVSA-N 366.387 2.685 0 50 FFAA CC(=O)NCc1ccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1 264969845 GKCOXQBVIRETNJ-GOSISDBHSA-N 366.465 2.971 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)C[C@H]1CN(c2ccccc2)C(=O)O1 178884482 XAPFWEWDRMNAQG-AWEZNQCLSA-N 368.359 2.896 0 50 FFAA COc1ccccc1N1CCN(Cc2ccc(OC)c(C)c2OC)CC1=O 426668390 OTOOQDNIHVACDK-UHFFFAOYSA-N 370.449 2.870 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(CCCC(=O)c3ccc(F)cc3)C2)n1 426674329 RWSJKNOIZHHPNL-MRXNPFEDSA-N 373.428 2.949 0 50 FFAA c1ccc2oc(N3CCC(NCc4noc([C@@H]5CCCO5)n4)CC3)nc2c1 95383947 KQEPTTAZRHGDAG-INIZCTEOSA-N 369.425 2.821 0 50 FFAA CCN1CC2(CCN(Cc3noc(C)n3)CC2)C[C@@H](c2ccccc2)C1=O 96152909 PXPMZQMASOYSHR-SFHVURJKSA-N 368.481 2.996 0 50 FFAA O=C(CC(F)(F)F)N1CCC(c2nccn2Cc2ccncc2)CC1 95520841 ZHNMGTQMYQBVMW-UHFFFAOYSA-N 352.360 2.985 0 50 FFAA O=C(NCc1cc(F)c(F)c(F)c1)c1cnc(-c2cccnc2)nc1O 91952241 BUYRQGMEQGEWAI-UHFFFAOYSA-N 360.295 2.592 0 50 FFAA CCCn1cnnc1CNC(=O)[C@H](CC)n1c(CC)nc2ccccc21 95384538 PCYIWYDGRRGIMW-HNNXBMFYSA-N 354.458 2.868 0 50 FFAA CCCn1ncc(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 92036890 OQCWUAVSCROXTD-AWEZNQCLSA-N 360.845 2.790 0 50 FFAA CCn1nc(C2CCOCC2)nc1[C@@H](c1ccc2c(c1)OCO2)N(C)C 96138115 ZKSAFKMOUWHGRU-QGZVFWFLSA-N 358.442 2.572 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 237642146 SJZNYEMZIWKESW-QGZVFWFLSA-N 351.830 2.711 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 91635419 YDACFOTVOBLMTR-KRWDZBQOSA-N 353.466 2.891 0 50 FFAA COc1cc(CN2CCN(C3CCOCC3)CC2)cc(Cl)c1OC 97551305 OWPSHFSPUKBPTK-UHFFFAOYSA-N 354.878 2.654 0 50 FFAA CC(C)CN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C1=O 238950205 XBUSUPPPKXYREC-KZNAEPCWSA-N 351.406 2.584 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)COc1ccccc1Cl)CC2 95364733 WHSNUMOBXRLYEM-MRXNPFEDSA-N 353.846 2.905 0 50 FFAA COc1cc(NC(=O)CCN2CCC(c3cc[nH]n3)CC2)cc(OC)c1 244795502 RHLAMIYHPXIXPY-UHFFFAOYSA-N 358.442 2.635 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)[C@@H]1CCCCN1C(=O)c1cccs1 182709364 SRRIRBXHJWARIG-CVEARBPZSA-N 358.463 2.593 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)NCc3csc4c3CCCC4)nn2)CC1 244659772 HILYGMQSGAPVKF-OKILXGFUSA-N 359.499 2.591 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1C(N)=O 252491893 LYLHLYSBMADXPI-UHFFFAOYSA-N 368.842 2.947 0 50 FFAA O=C(CCc1ccccc1Cl)N[C@H]1C[C@@H](c2cc(NCCO)ncn2)C1 252537389 LAKSSSLQNXWXSF-GASCZTMLSA-N 374.872 2.529 0 50 FFAA CCCCN1CCn2nc(CNC(=O)N[C@H](C)c3ccc(C)nc3)cc2C1 534673619 ITDOAUBHTHHBLW-MRXNPFEDSA-N 370.501 2.763 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)NCc2cccc(-c3nn[nH]n3)c2)c(C)s1 534655106 DCHNOVMAJWNWKR-JTQLQIEISA-N 371.470 2.843 0 50 FFAA Cc1nc2c(C)cc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cn2n1 534576059 CWNCLHXNNNAIEE-SFHVURJKSA-N 350.422 2.922 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)C2(N3CCOCC3)CCCCC2)n1 299802921 YGESHRZZISRCKT-AWEZNQCLSA-N 351.516 2.706 0 50 FFAA COc1ccc(C2(C(=O)NCc3nnc(C)s3)CCCC2)cc1OC 299765270 DNWPWXIYWGAFME-UHFFFAOYSA-N 361.467 2.992 0 50 FFAA Cc1cc(-c2cccc(C(=O)N3CCN(C)C(=O)[C@@H]3C)c2)nc(C)c1C 299797333 NJFCVCQMRULTCB-INIZCTEOSA-N 351.450 2.977 0 50 FFAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCc2snnc2C(C)C)n1 299757856 KOAVYBDSYCCRIA-NSHDSACASA-N 351.501 2.865 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)o1 299766544 OXKUJPNRTAOQPZ-CQSZACIVSA-N 357.439 2.721 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cc(C)nn1-c1ccccc1 299788290 YDHUPJJOPNNXCX-UHFFFAOYSA-N 368.441 2.595 0 50 FFAA c1ccc(-c2nc(CCc3cccnc3)n(C[C@@H]3COCCO3)n2)cc1 820430475 FYDQMDCLKBGBHK-GOSISDBHSA-N 350.422 2.541 0 50 FFAA CCCn1ncnc1-c1cccc(C(=O)N(C)Cc2nnc(CC)o2)c1 584894693 WTEDREGNIZSGLV-UHFFFAOYSA-N 354.414 2.573 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cccc(-c2cccc(N3CCNCC3)c2)c1 584887129 FEIABEALGHQNGO-NRFANRHFSA-N 365.477 2.672 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)[C@@H]2Cc3ccc(C)cc3S2)CC1 1875386061 IGOVIUZQKDHHEM-KRWDZBQOSA-N 358.507 2.943 0 50 FFAA C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875328050 WBSKEPVENOEJQM-BBRMVZONSA-N 361.417 2.603 0 50 FFAA C[C@H]1CN(C(=O)c2cc(C3(C)CC3)on2)C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2C)C1 1875407293 WUJXUKNFSRWLLG-GBJTYRQASA-N 359.470 2.691 0 50 FFAA CCCN1C[C@H](c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)CC1=O 1875266199 CQQCGWFYCDJPOU-WDEREUQCSA-N 350.806 2.984 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2c(F)cccc2Cl)C1 886085256 BOVVRXBHIZAZCV-JLZZUVOBSA-N 354.853 2.780 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Cn2nnc(-c3c(F)cccc3F)n2)C1 886031717 OWOGTDPGFRYJJX-ZDUSSCGKSA-N 369.375 2.781 0 50 FFAA O=C(c1ccc(O)c(Cl)c1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565507008 RQRYKMMEHJYPKN-CJNGLKHVSA-N 364.873 2.761 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1ccncc1F 275537860 RQEUTULSYPOGMR-STQMWFEESA-N 366.437 2.670 0 50 FFAA O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cccc2ncccc12 729200325 QDOAAJCUKYTXJZ-UHFFFAOYSA-N 360.822 2.936 0 50 FFAA O=C(Cn1nnc(COc2ccccc2)n1)N[C@H](c1ccccc1)C1CC1 170621460 CTVLHCQOWVDBQK-HXUWFJFHSA-N 363.421 2.520 0 50 FFAA O=C(C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)N1CCC(c2nnc(S)n2C2CC2)CC1 225420575 CXRRLNCSOLIANY-JURCDPSOSA-N 358.511 2.900 0 50 FFAA Cc1n[nH]c(=O)c(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1C 193342336 JSWCACCZGRZOCI-UHFFFAOYSA-N 368.368 2.643 0 50 FFAA NS(=O)(=O)Cc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 195496816 RZRWIQXRLCDBNW-QGZVFWFLSA-N 350.484 2.660 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506417208 OOJAULXFBXJCMP-LJQANCHMSA-N 368.824 2.881 0 50 FFAA O=C(Nc1nc2c(s1)CCCCCC2)c1cn(C[C@@H]2CCCNC2)nn1 1529180205 CSPCVSYNDHRNBT-CYBMUJFWSA-N 374.514 2.646 0 50 FFAA COc1ccc(CN(CCO)Cc2ncc[nH]2)cc1OCc1ccccc1 1772700217 CVAYDSWMMACQLU-UHFFFAOYSA-N 367.449 2.992 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC(Cc4ccc(O)nc4)CC3)cnc12 1772816309 NFNDMFLVNVFNCQ-UHFFFAOYSA-N 364.449 2.767 0 50 FFAA Cc1ccsc1C(=O)N1CCC(=O)N(CCOc2ccccc2)CC1 11787358 BCBHXJHODVUMKC-UHFFFAOYSA-N 358.463 2.810 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@H](C)c2cnc(-c3ccncc3)nc2C)n1 12438799 GXBJBRHPTGZNCS-CQSZACIVSA-N 350.426 2.538 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)s1 12758389 NYTQURVWOVBTNG-ZDUSSCGKSA-N 356.513 2.659 0 50 FFAA CC(=O)c1ccc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc1 14978608 WOUYOYKJWUDTHR-UHFFFAOYSA-N 372.421 2.955 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@H](C(=O)c3ccccn3)C2)n1 19851610 KNTDDRXEXVGPMN-HNNXBMFYSA-N 362.437 2.680 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(CC(=O)N(C)C)c3)c2n1 1857679957 BYMZISSDPVMSMO-UHFFFAOYSA-N 374.448 2.830 0 50 FFAA C[C@H]1CN(Cc2nc(O)c3sccc3n2)CCN1c1ccc(F)cn1 1857681902 PULKCQOFQMASNP-NSHDSACASA-N 359.430 2.642 0 50 FFAA O=C(CCC(F)(F)F)N1CCC[C@]2(C1)CN(C1CCCC1)CC[C@H]2O 1857692819 VZJRYUYZQGGNMG-NVXWUHKLSA-N 362.436 2.947 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)NCc4c(C)noc4C)CC3)nc2n1 1857724046 JPXMBDSONNZBAR-UHFFFAOYSA-N 369.425 2.669 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2ccccc2OCc2ccccc2)C[C@@H]1O 222122733 XKNHYDJRVCIZCR-FPOVZHCZSA-N 355.434 2.614 0 50 FFAA O=C(COC[C@H]1CCOC1)Nc1c(-c2ccccc2)nc2ccccn12 117577726 WUGGJQRZTQECTG-HNNXBMFYSA-N 351.406 2.993 0 50 FFAA CNC[C@H]1CCCN1C(=O)CCc1cc(Br)ccc1OC 237222162 PFLGGFYLFWBZEV-CQSZACIVSA-N 355.276 2.601 0 50 FFAA CN(C)c1c(Cl)cccc1NC(=O)c1cc(N2CCOCC2)ccn1 129571966 IMECAYUMGGVWLI-UHFFFAOYSA-N 360.845 2.890 0 50 FFAA Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cc(C)on2)O3)n1 14969516 ZJEVTXYJRPTLMV-INIZCTEOSA-N 364.405 2.790 0 50 FFAA O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1cncc(OCc4cccc(Cl)c4)n1)C[C@@H]3C2 249388814 BNPKUWSLYAQKNP-RSADAIHESA-N 357.841 2.915 0 50 FFAA O=C(O)C[C@H](O)c1ccccc1-c1ccc2c(c1)CC[C@]1(COC(=O)N1)C2 901000527 QSELHZNHIGSVQE-GHTZIAJQSA-N 367.401 2.829 0 50 FFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ncccc3c2)cc1 1422693 SVDMFZIJLQNSBY-UHFFFAOYSA-N 355.419 2.737 0 50 FFAA COC(=O)c1ccccc1NC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 2876040 JRMDOMXFMJMHJS-QGZVFWFLSA-N 367.405 2.851 0 50 FFAA CN(C)CCn1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)nn1 2325806122 WJXAQPLEYGOUPR-UHFFFAOYSA-N 353.213 2.864 0 50 FFAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N(C)[C@@H](C)c1cccc(O)c1 2325807359 UIFOXINGMOQOPF-AWEZNQCLSA-N 365.437 2.951 0 50 FFAA NCc1nnc(CCc2nc(-c3cscc3Br)no2)s1 2325808958 DNHDSKOZDJEDOP-UHFFFAOYSA-N 372.273 2.656 0 50 FFAA COc1nn(C)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 2325811686 SWORDQRCNIQOAH-UHFFFAOYSA-N 350.227 2.845 0 50 FFAA CC1(C)CNCC[C@@H]1NCc1cnn(-c2cccc(Br)c2)n1 2325868580 BOXLBYYNVUOPGT-HNNXBMFYSA-N 364.291 2.508 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc3sc(=N)[nH]c3c2)C1=O 2356136950 NHVKGHPVGLRQOP-LJQANCHMSA-N 372.494 2.716 0 50 FFAA CC(C)CC(=O)N1CCCCNC(=O)C[C@H](c2ccccc2)NCCC1 2356161232 LNMMKVMHUGWMSD-LJQANCHMSA-N 359.514 2.882 0 50 FFAA O=C(CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCO2 4279692 WVRRBBXQMDAEQQ-UHFFFAOYSA-N 355.375 2.878 0 50 FFAA CCOc1nc(Cl)ccc1C(=O)N1CCN(C(=O)CCC(C)C)CC1 225647425 CSZWXCMFRPKJEW-UHFFFAOYSA-N 367.877 2.854 0 50 FFAA Cc1ccc(C(=O)Nc2cc(NC(=O)CS(C)(=O)=O)ccc2C)cc1 55575928 SPYMSMVULOFRKY-UHFFFAOYSA-N 360.435 2.539 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 22960424 ZKEZGXAJIFLJCT-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA O=C(CN1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Br)cc1 135539613 YWWHZSKKCNIJRC-KBPBESRZSA-N 371.300 2.594 0 50 FFAA CCc1nc(C)c(CN2CCN(c3ncnc4c(C)csc34)CC2)[nH]1 65451868 QEFSJHLQMFKOKN-UHFFFAOYSA-N 356.499 2.916 0 50 FFAA COc1ccc(-c2noc(CN3CCC(NC(C)C)CC3)n2)c(OC)c1 118991238 WZLFAWBNVKKNJW-UHFFFAOYSA-N 360.458 2.716 0 50 FFAA CCn1c([C@H]2CCCN(C(=O)NC(C)(C)CC(C)(C)C)C2)nn(C)c1=O 67674940 MRHVFFKWICXPDH-AWEZNQCLSA-N 365.522 2.706 0 50 FFAA Cc1cc(C)n(-c2ccc(N3CCC(NCc4cnn(C)c4)CC3)cc2)n1 23543919 KVRYTLKRIUTBEU-UHFFFAOYSA-N 364.497 2.981 0 50 FFAA CCCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)Cc2ccccc2C)C1 330689802 FGEGUOHRWYGULU-IAGOWNOFSA-N 366.527 2.842 0 50 FFAA COc1ccccc1N1CCN(C(=O)NC[C@H]2C[C@H](C)O[C@H](C)C2)CC1 282136230 GQADFCQDCLYEKD-BJWYYQGGSA-N 361.486 2.730 0 50 FFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1CCSc1cn[nH]n1 67472887 PVWJXLHBTWPORJ-UHFFFAOYSA-N 366.454 2.739 0 50 FFAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccc(F)cc2)CC1 4904312 DPPNWQVSMFCYNP-LJQANCHMSA-N 371.387 2.807 0 50 FFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@@H]1c1cccc2c1OCCO2 328770284 AACSTWJBODNCHM-SUMWQHHRSA-N 353.422 2.650 0 50 FFAA CN(C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)C1CCOCC1 328836889 XOIWWIKSGPWRQJ-UHFFFAOYSA-N 369.469 2.882 0 50 FFAA Cc1ccc(-c2cc(CN3CCn4nc(CCC(=O)O)cc4C3)on2)cc1 72158633 RMLJGFLMTQLMQB-UHFFFAOYSA-N 366.421 2.880 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCn1cnc2ccccc21 124407216 BHTMAXUTNNXOCB-HNNXBMFYSA-N 352.442 2.793 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)CCn2cnc3ccccc3c2=O)no1 218956094 CRUSDQIGEIYHCV-SFHVURJKSA-N 366.421 2.837 0 50 FFAA Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN3CCCOCC3)cc2c1 72453492 RSTFQZMCUIIUHL-LJQANCHMSA-N 355.482 2.727 0 50 FFAA COCc1ncc(CN2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)cn1 77358271 CGBIVUIOLYXDPR-NRFANRHFSA-N 372.513 2.770 0 50 FFAA C[C@@H]1N(C(=O)c2cccc(CN3CCCC3=O)c2)CCC12CCOCC2 374946773 CQOSPCKFYXJBOV-INIZCTEOSA-N 356.466 2.840 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3ccc(N)nc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72163065 XJSSRKSJDMYLJG-CEWLAPEOSA-N 362.477 2.675 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@H]3CCN(CCOC)C3)cc(C)cc2c1C 71749139 RZBOVZDSJKXASG-INIZCTEOSA-N 357.498 2.932 0 50 FFAA Cn1nc(NC(=O)c2ncoc2C2CC2)c2c(N3CCOCC3)cccc21 72425635 GESNEPNLVTZMOY-UHFFFAOYSA-N 367.409 2.528 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccnc(NC)c2)CCC(=O)N1Cc1ccccc1 71776040 FLJKRTAWZODFEN-GOSISDBHSA-N 366.465 2.777 0 50 FFAA Cc1nn(CC(=O)N(CCCn2ccnc2)Cc2cccnc2)c(C)c1C 215939064 RDBCKIKHIOTAQP-UHFFFAOYSA-N 366.469 2.519 0 50 FFAA CC(=O)NCCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71315729 ZFOHMZNUGYGGIO-OAHLLOKOSA-N 359.253 2.810 0 50 FFAA CCc1ocnc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@@H](CC)C1 71763584 YTZZWFWBQHSDMU-INIZCTEOSA-N 355.438 2.890 0 50 FFAA COC(=O)c1ccc(NC(=O)NCc2noc(-c3cccs3)n2)cc1 239782403 COGGZCNUYGUYML-UHFFFAOYSA-N 358.379 2.906 0 50 FFAA Nc1nc(NCCC2CCN(C3CCCC3)CC2)cc(C2CC(N)C2)n1 220091494 PUCJAYQPMZERLM-UHFFFAOYSA-N 358.534 2.720 0 50 FFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3nccc(-c4ccco4)n3)C2)cc1 20617371 ZLSHHKMMQAMMOS-QGZVFWFLSA-N 364.361 2.877 0 50 FFAA COc1ccccc1-n1c(S)nc(=O)c2c(C(=O)O)cc(C3CC3)nc21 20615423 QVRAAFCZIWCBNH-UHFFFAOYSA-N 369.402 2.654 0 50 FFAA CCc1noc([C@@H](C)NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 426697336 LZKWRMPYFFWLGN-OJXHRBAXSA-N 369.469 2.734 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cncn1C1CCCCC1)C2 426723911 PEVCWJSWMMECDJ-UHFFFAOYSA-N 370.501 2.627 0 50 FFAA C[C@@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 239403145 RNLRZMGOBDJQHZ-RISCZKNCSA-N 351.244 2.955 0 50 FFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(-c3ccccn3)nc2O)c1C 91390802 IJSWQXVAOLPDCR-LLVKDONJSA-N 366.425 2.568 0 50 FFAA Cc1cccc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)O)C2)c1F 96139017 XTDIMSCXZOYEFE-UWJYYQICSA-N 374.456 2.669 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)Nc2ccc(-c3nncn3C)cc2)n1 96153030 HTKXYELUFPXHBS-AWEZNQCLSA-N 353.430 2.678 0 50 FFAA Cc1cc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)ccc1F 95354436 OVNSQTFPSRNJAP-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2cc(Cl)c[nH]2)CC1 294620164 KPMFQEHUCWCFDJ-UHFFFAOYSA-N 366.874 2.778 0 50 FFAA O=C(CCc1[nH]nc2c1CCCC2)N1CCc2[nH]nc(C3CCC3)c2C1 23619390 AUOZHNRSACXTFK-UHFFFAOYSA-N 353.470 2.797 0 50 FFAA O=C1C[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1ccncc1 96149901 HHEOSHLIIPLTQN-CQSZACIVSA-N 360.377 2.524 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n(C)n1 91469043 OMJZMSSRGSAOQC-FQEVSTJZSA-N 355.438 2.942 0 50 FFAA O=C(CC(F)(F)F)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91270535 ZOCXSXJUFPUBJO-AWEZNQCLSA-N 352.360 2.985 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(Cl)cc1O)C2 91304425 WHCXNDNGMXEGSE-SWLSCSKDSA-N 362.857 2.909 0 50 FFAA Cc1cc(C)n(CCN(C)Cc2c(-c3cc(C)on3)nn(C)c2Cl)n1 97294843 HTHPPCUEEZVGGI-UHFFFAOYSA-N 362.865 2.982 0 50 FFAA COc1c[nH]c(C(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)cc1=O 97636459 KLRVKBQMTOOGLI-HFTQHKIXSA-N 368.433 2.718 0 50 FFAA O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)N1CCOC[C@@H](CO)C1 95519304 VSHHINXHHHMNTD-CQSZACIVSA-N 366.421 2.703 0 50 FFAA Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)o1 91439840 KMWYAXBYIQUUMF-DLBZAZTESA-N 372.494 2.593 0 50 FFAA O=C(NCCc1noc(-c2ccccc2)n1)c1cnc(-c2cccnc2)nc1 95357953 YJUQCNIQSJNYTC-UHFFFAOYSA-N 372.388 2.561 0 50 FFAA CCCOc1ccccc1CN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 92019274 XMPNKPWSGURSOS-NRFANRHFSA-N 359.514 2.604 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(N2CCCC2)cc1 244874674 XFLOOHDOYMBLIJ-QRFRQXIXSA-N 351.450 2.924 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]2C[C@@H](O)C2)cn1 244619994 FJWJXCZHACJANH-UEXGIBASSA-N 354.450 2.878 0 50 FFAA CCCNc1ncc(CN2CCc3nnc(-c4ccccc4)n3CC2)cn1 252505403 VRCQFWLJYUFKGY-UHFFFAOYSA-N 363.469 2.615 0 50 FFAA C[C@@H]1Sc2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)cc2NC1=O 299745777 SHLCCVGUYOEJAC-GVARAGBVSA-N 374.462 2.977 0 50 FFAA CC[C@@H](C(=O)NCCN1CCCOC1=O)n1cc(C(C)=O)c2ccccc21 252500060 SMQCSBAYMUXDRT-KRWDZBQOSA-N 371.437 2.754 0 50 FFAA COc1ccccc1OC1CN(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)C1 534591498 BXCGPVNMHULEJG-AWEZNQCLSA-N 368.433 2.991 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3ccc4c(c3)CC(C)(C)O4)cnc21 77343941 KXPWVEUSOVGVRT-UHFFFAOYSA-N 365.437 2.677 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCCc1cnn(C)c1 299760298 FKFKZFLATVOREW-UHFFFAOYSA-N 370.413 2.541 0 50 FFAA CC(C)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299777586 NCZKLUQFIFADAK-LJQANCHMSA-N 364.461 2.552 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]([C@@H](C)N)C1 269292312 UTVZPLMKYVQXJK-GRYCIOLGSA-N 373.266 2.941 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cn2ncc3ccccc32)C1 670444406 PSXMVFFBEDTHGU-LJQANCHMSA-N 362.477 2.950 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4cc(F)c(F)cc4C3)nn(C)c21 1875403999 PGWCEIHATMXJGV-MNOVXSKESA-N 361.392 2.919 0 50 FFAA O=C(NC[C@H](O)c1ccc(F)cc1)c1ccc(Nc2ncccn2)cc1 1875263097 IFKQJNYVQCUZLG-KRWDZBQOSA-N 352.369 2.823 0 50 FFAA C=CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875370808 DXMQAWJYTWRONU-ZWNOBZJWSA-N 357.237 2.525 0 50 FFAA C=CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H]2CCc3cc(OC)ccc32)CC1 1875385821 CGICRFCSZBGSNN-AUUYWEPGSA-N 356.466 2.654 0 50 FFAA CCCc1ccccc1C(=O)NC[C@@H]1C[C@H](OC)CN1c1cc(C)ncn1 1875392165 RIGLTFNJYMFGKW-ROUUACIJSA-N 368.481 2.761 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2CCc3nc(-c4cc(F)ccc4F)cn3C2)nn1 885745016 XDOGXTZVVGUTFB-CYBMUJFWSA-N 369.375 2.672 0 50 FFAA COc1ccccc1[C@@H](C)N1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C 886096711 OYIYKLLGLWUWAL-IAISJRAMSA-N 357.410 2.554 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)NCc1ccco1 275521759 ONBQENXCLMETLP-KBPBESRZSA-N 366.462 2.799 0 50 FFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C2CC2)[nH]c(=O)c1 186376899 ILIQIYPKDFSQHQ-KRWDZBQOSA-N 351.450 2.993 0 50 FFAA Cc1sc2nc(CN(C)[C@](C)(CO)c3ccccc3)[nH]c(=O)c2c1C 170087230 KVSCQUHUUCATBI-LJQANCHMSA-N 357.479 2.941 0 50 FFAA COc1ccc(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)nn1 170609087 LOOOUMVAKYMHCE-UHFFFAOYSA-N 365.358 2.898 0 50 FFAA Cc1ccc(C(=O)N2CCN[C@H](C)C2)cc1NC(=O)c1ccccc1F 188389060 KRPFPLQHSWMAQQ-CQSZACIVSA-N 355.413 2.820 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(CC(F)(F)F)CC1 190436491 KNQZUMZAJCVCFL-GJZGRUSLSA-N 360.424 2.739 0 50 FFAA Cc1ccn2c(=O)c(C(=O)N3CCC(OCCC(C)C)CC3)cnc2c1 193888498 BUIGOPFJZSWXOZ-UHFFFAOYSA-N 357.454 2.670 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)CN(C)Cc1ccc(F)cc1)C1CC1 1506414202 DGXVUTSSELPWKP-UHFFFAOYSA-N 358.461 2.799 0 50 FFAA O[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H]1Cc1ccccn1 1529118995 RATVORHKUHLSMH-NFBKMPQASA-N 365.521 2.624 0 50 FFAA CC1(NC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CCCCC1 1529191356 XFXPUENTQOKLPT-CVEARBPZSA-N 350.846 2.735 0 50 FFAA Cc1ccsc1[C@H](CNc1cncc(C(=O)N2CCCC2)n1)N(C)C 1704280548 YJYJCCMJCWFPNR-HNNXBMFYSA-N 359.499 2.797 0 50 FFAA CCCc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n[nH]1 1704340825 VEXSOYSPSMBLMY-FOIQADDNSA-N 364.449 2.898 0 50 FFAA CC[C@@H](OC)c1nc(Cc2ccc(OC)c(OC)c2)nn1-c1cnn(C)c1 1772806139 ZIDFKTMUBALMQL-OAHLLOKOSA-N 371.441 2.706 0 50 FFAA COc1ccc(NC2=N[C@H](C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1 5797459 KLIJHYHCDUBBIN-KRWDZBQOSA-N 366.421 2.607 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1CC1CCCCC1 12223725 LZEZWMVCLHTUQO-SFHVURJKSA-N 354.458 2.646 0 50 FFAA CC[C@@H](C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12304244 DKKUZKSVXCEDAF-GOSISDBHSA-N 372.557 2.920 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CN1CCCCCC1 15067596 MESUDDDTXQRCRZ-IBGZPJMESA-N 352.425 2.694 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 19795052 ZZCUMIMCWPHVQD-NRFANRHFSA-N 368.477 2.542 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(F)c2)N3)cc1 169764111 KYEOXPPSVHYKDK-UHFFFAOYSA-N 368.412 2.801 0 50 FFAA Cc1noc(C)c1CN1CC[C@@]23O[C@@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857729915 WHWIAZQARAZNSP-GGPKGHCWSA-N 353.422 2.566 0 50 FFAA Cn1nc(C2CCCCC2)cc1NC(=O)Cc1ccc(-n2cnnn2)cc1 151120593 DIHBSIJLTCTPHY-UHFFFAOYSA-N 365.441 2.625 0 50 FFAA CSCC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3ccco3)n2)C1 19758033 VKUFKYFGTJFAQM-UHFFFAOYSA-N 370.434 2.948 0 50 FFAA Cc1noc(C)c1COc1ccc(C(=O)N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)cc1 2325763000 JFNBVAASPBKCEY-JZXOWHBKSA-N 370.405 2.663 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(c2cc(N4CCC[C@H](CO)C4)ncn2)C3)cc1 2325780828 ROOFBOKZVOPZBM-LQBOVUBWSA-N 364.493 2.772 0 50 FFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1ccc2nc(Cl)nn2c1 2325785211 KGEVDZFIGAUFDQ-OAHLLOKOSA-N 357.845 2.758 0 50 FFAA CNC(=O)Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 2325790057 JXEXNNDFRTXJLG-KRWDZBQOSA-N 354.425 2.819 0 50 FFAA O=C(NC[C@@H]1NCCc2sccc21)c1ccc2nc(O)n(C3CC3)c2c1 2325810384 IFQQETQTTAENSG-HNNXBMFYSA-N 368.462 2.755 0 50 FFAA O=C(NCCc1nc(-c2ccccn2)cs1)c1cccc2c1CNC2 2325856975 KPZUKRZRHSJYMT-UHFFFAOYSA-N 350.447 2.781 0 50 FFAA O=C(c1ccncc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 779849 XBYRGJCDQYXUBJ-UHFFFAOYSA-N 364.493 2.504 0 50 FFAA COc1ccc(CC(=O)N[C@H](C)[C@H]2COc3ccccc3O2)cc1OC 849560 GNSAWCHPDKOPJO-BFUOFWGJSA-N 357.406 2.591 0 50 FFAA COc1cccc(OCCNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 2284557 HXPXIJJPFCXMKH-UHFFFAOYSA-N 361.394 2.530 0 50 FFAA biogenic Cc1nc(-c2ccc3nnc([C@H](O)C(C)C)n3c2)n(CC(F)(F)F)n1 2356154328 QXZFLUYAZWTLAZ-GFCCVEGCSA-N 354.336 2.548 0 50 FFAA O=C(NC(=S)NCc1cccnc1)c1ccccc1Br 2980765 PXNJIVZMBGUCEH-UHFFFAOYSA-N 350.241 2.649 0 50 FFAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCc1cccc(C(=O)O)c1 225550081 RWFDUPQZIQBUEA-UHFFFAOYSA-N 370.796 2.857 0 50 FFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 10544216 CADDKDYHJUTGIY-QGZVFWFLSA-N 367.515 2.578 0 50 FFAA CNCc1ccc(NC(=O)N2CCCN(Cc3csc(C)n3)CC2)cc1 415976111 VKDBWNWJCIKPMU-UHFFFAOYSA-N 373.526 2.911 0 50 FFAA O=C(C[C@@H]1OCCc2ccccc21)Nc1cccc(-c2noc(=O)[nH]2)c1 115056760 VDRLZWUMJHOOIS-INIZCTEOSA-N 351.362 2.673 0 50 FFAA CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OCc1ccccc1 59337127 WHGLYHPTKLTQMK-PMACEKPBSA-N 368.477 2.831 0 50 FFAA CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2OC(c3ccccc3)=N[C@H]12 25691437 NGVNTPCATZLIDL-BXGJLEAFSA-N 367.401 2.686 0 50 FFAA O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67819213 DAXOEWOGTSQURS-FUHWJXTLSA-N 364.401 2.887 0 50 FFAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnc(N)nc1C 65532059 QDASYQFYYAOHFI-UHFFFAOYSA-N 356.426 2.927 0 50 FFAA Cc1cc(C)c(CN2CCC[C@@H](N3CCOCC3)C2)c(-n2cccn2)c1 23358358 QLWPIKPVHCIZOR-LJQANCHMSA-N 354.498 2.786 0 50 FFAA Cc1ccc(-c2nc(NC[C@@H]3COCCO3)ncc2-c2cncnc2)cc1 65396623 SJHNWPHNTVMFCN-QGZVFWFLSA-N 363.421 2.736 0 50 FFAA Cc1ccccc1NC(=O)CNC(=O)c1cc(COc2ccccc2)[nH]n1 67725566 RFEZSFZSKZKLAI-UHFFFAOYSA-N 364.405 2.666 0 50 FFAA O=C1OCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCc3ccccc32)cc1 121423299 AVJFZYNOPAEWHS-HNNXBMFYSA-N 372.446 2.652 0 50 FFAA Cn1cnc(-c2ccc(OC[C@H](O)COc3ccc(Cl)cc3)cc2)n1 252572586 ZLOQAVGBAVGBTQ-HNNXBMFYSA-N 359.813 2.954 0 50 FFAA C[C@H](C(=O)N1CCCC1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67774548 NPOFAOREMJPKCV-GFCCVEGCSA-N 360.408 2.724 0 50 FFAA COCc1ccsc1C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 328610784 JCFHJOVYMVYHSC-LBPRGKRZSA-N 351.428 2.615 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2c(C)noc2C)[C@@H]1c1cnn(C)c1 328619297 FRHFIYZPMNKRTJ-MAUKXSAKSA-N 359.474 2.570 0 50 FFAA CCn1ncc(C(=O)Nc2cnn(Cn3nc(C)c(Cl)c3C)c2)c1C 2786176 IKFQJKWYFLXLMO-UHFFFAOYSA-N 361.837 2.633 0 50 FFAA Cc1cccn2c(CN3CCC(C)(C)CC3)c(C(=O)N3CCOCC3)nc12 71405599 CBPVEXGFMITCLT-UHFFFAOYSA-N 370.497 2.737 0 50 FFAA O=S(=O)(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccnc1 72151355 HPPFZADFLFHLLV-MRXNPFEDSA-N 365.886 2.678 0 50 FFAA Cn1cc(-c2nc(C(=O)N3CCC([C@H]4N=C(O)C4(C)C)CC3)cs2)cn1 329450583 LVVKEGAUTVDEHQ-CQSZACIVSA-N 373.482 2.761 0 50 FFAA CCO[C@H](C)c1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cs1 236925503 KOMLTUODQSJEAM-MLGOLLRUSA-N 374.462 2.821 0 50 FFAA CCOc1ccc(CN2CCN(C(=O)CC[C@H]3CCCCN3C)CC2)cc1 477692937 NPSBOEWZOMGHJV-HXUWFJFHSA-N 373.541 2.994 0 50 FFAA C[C@@H](NC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C 360487005 ADKBXMCRNYLGHE-ZIAGYGMSSA-N 369.469 2.807 0 50 FFAA CCn1ncc(S(=O)(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c1C 72147742 IMYUWQXAOMRGTK-INIZCTEOSA-N 368.547 2.677 0 50 FFAA CCCn1c(NC(=O)[C@@H]2CCCN2C(=O)NC(C)C)nc2ccccc21 153220906 ZZLDUHJVLLLSSG-INIZCTEOSA-N 357.458 2.967 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 72480281 QIUZMAIROKLBHS-INIZCTEOSA-N 368.485 2.822 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCc3sc(C(N)=O)cc3C2)c1 72478244 OSZSSWCJKWZBJQ-UHFFFAOYSA-N 372.490 2.749 0 50 FFAA COc1ccc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cc1OC 363732576 VSZFYZMYYGJOHO-QGZVFWFLSA-N 373.384 2.548 0 50 FFAA CC(C)c1nnc2n1CCN(Cc1ccc3c(c1)CCC(=O)N3C)[C@@H]2C 363973804 KGAWJHYMTKMYQK-CQSZACIVSA-N 353.470 2.887 0 50 FFAA O=C(c1ccc[nH]1)N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1 215602400 VYODCLULYMMCEY-UHFFFAOYSA-N 353.401 2.502 0 50 FFAA C[C@H](CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@H]1CCCNC1 237584074 HJUGHLXISQWFQH-CVEARBPZSA-N 370.497 2.519 0 50 FFAA O=C(NC1CCCC1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72432125 RDNNMQCLGFZTCD-UHFFFAOYSA-N 350.390 2.776 0 50 FFAA COc1cccc(C[C@@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)c1 71755252 RASILXKIEAEEAF-HXUWFJFHSA-N 364.445 2.980 0 50 FFAA COc1cccc2[nH]cc(CC(=O)Nc3cnn(C[C@H]4CCCO4)c3)c12 378509443 WNEQOCIEVMQFAU-OAHLLOKOSA-N 354.410 2.733 0 50 FFAA CC[C@H]1c2cccn2CCN1C(=O)c1cnc2sc(C)c(C)n2c1=O 77485603 SJOBCUFEJSYJDN-AWEZNQCLSA-N 356.451 2.781 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(Cl)cc3)ccc12 71376167 LEUMZZOJHLGMAH-UHFFFAOYSA-N 368.780 2.782 0 50 FFAA Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1C 72436187 JAOPIDPJZIZOOX-MRXNPFEDSA-N 370.501 2.905 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccc3n2n1 72117870 FVORGIPCQNHTPU-UHFFFAOYSA-N 352.423 2.669 0 50 FFAA CCN(CC)Cc1cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c(C)o1 82135067 LJOHHKCBHPIGAQ-UHFFFAOYSA-N 369.465 2.919 0 50 FFAA CC(C)(C)c1cn(C2CCN(C(=O)Cn3cc4ccccc4n3)CC2)nn1 48229083 XCWIQWDOOZRIMO-UHFFFAOYSA-N 366.469 2.789 0 50 FFAA COc1cc(F)c(CSc2nnc([C@H]3CCCNC3)n2C)cc1OC 426685262 HHECZOHQTJHSSA-NSHDSACASA-N 366.462 2.731 0 50 FFAA COc1cc(CC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C(C)=O)cc1OC 426368145 AGXLRJVMBCPOAV-AWEZNQCLSA-N 371.437 2.578 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)n(C)n1 82087638 XAAOHBMMPWYXSA-SFHVURJKSA-N 356.470 2.835 0 50 FFAA Cc1nnc(SCCNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)s1 426563142 KYDIVROINIHHDN-UHFFFAOYSA-N 374.495 2.624 0 50 FFAA O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 195376273 FUQXPFOIRWTINH-CQSZACIVSA-N 356.401 2.599 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@H]2C)c(O)c1 82137369 XPXPSKFUZUYSBD-GFCCVEGCSA-N 374.824 2.932 0 50 FFAA O=C(NCc1csc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 222582291 GOLVRSKDSSYLJI-UHFFFAOYSA-N 371.384 2.929 0 50 FFAA CNC(=O)c1cc(NC(=O)N2CCO[C@H](c3ccccc3)C2)ccc1OC 426501910 RXXWILMHYVLXHE-SFHVURJKSA-N 369.421 2.660 0 50 FFAA COCCN1CC[C@@H](CNC(=O)c2ccc(-c3ccc(F)cn3)cc2)C1 426563207 HLEYNQRWLJRGSA-HNNXBMFYSA-N 357.429 2.586 0 50 FFAA O=C([C@@H]1COc2ccccc2C1)N1CCC(Cc2noc(C3CC3)n2)CC1 91476820 DIHOLWJUAABBGC-KRWDZBQOSA-N 367.449 2.979 0 50 FFAA c1cnn(Cc2nnc(C3CCN(Cc4ccoc4)CC3)n2C2CC2)c1 96147955 IJDPZPPHEOWZPG-UHFFFAOYSA-N 352.442 2.830 0 50 FFAA COc1ccc(N2C[C@H](C)N(C(=O)NCc3cccc(F)c3)CC2=O)cc1 91817681 ZISVSDXTYMNOQA-AWEZNQCLSA-N 371.412 2.781 0 50 FFAA CCc1nnc(CNC(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)s1 97475597 PEZOCCHPKQVATL-LLVKDONJSA-N 359.455 2.938 0 50 FFAA Cc1c(F)cccc1CN1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 91915139 GXIHKMXVAQZUQZ-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)[C@@H](C)n2ccnc2C(C)C)CC1 91677484 UGMBCWACOQAUKR-MRXNPFEDSA-N 373.501 2.817 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 95519212 UZCYNTHIPKUHJK-UHFFFAOYSA-N 368.437 2.526 0 50 FFAA CN1CC[C@]2(CCC1=O)CN(Cc1ccc(F)c(Cl)c1F)CCN2C 95371415 UBRBSWNOLQNDCE-GOSISDBHSA-N 371.859 2.747 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CC[C@@H]1CN(S(C)(=O)=O)C2 91381318 XCCISUIFGSUGIT-GXTWGEPZSA-N 371.890 2.536 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C(=O)O 91819982 BRARJDUYFONTOL-JKSUJKDBSA-N 361.829 2.562 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 95362055 ADEZZOYKKZKUTE-IBGZPJMESA-N 358.413 2.906 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239159580 MJOZUOSADICMIL-UOVPBQLFSA-N 353.422 2.925 0 50 FFAA O=C(COc1ccc(F)cc1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244748811 OOUMQVSEPDAVHB-LDBYXDLTSA-N 371.408 2.768 0 50 FFAA O=C(Cn1c(O)nc(=O)c2ccccc21)N1CCC[C@@H]1c1ccsc1 298526944 UYTWVVPZSGEZBX-CQSZACIVSA-N 355.419 2.527 0 50 FFAA Cc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)o1 243932334 BVDVWOUBEIHHJD-SHTZXODSSA-N 369.421 2.637 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244748660 OLYSJOWRYGFPGQ-AKCHCHLHSA-N 356.397 2.812 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 184419553 RPZNOFQGHSSVIU-CYBMUJFWSA-N 356.817 2.783 0 50 FFAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CO)CC1 253406203 ITLCVOOZAVDUID-FRYIKTPZSA-N 374.525 2.673 0 50 FFAA COc1ccc([C@@H](O)C(=O)NC2CCN(c3cccc(C)c3)CC2)cc1 299771310 YADBJUAFOLHOHL-HXUWFJFHSA-N 354.450 2.822 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCN(CC3CCCC3)CC2)c1C 299769700 SZSFLDYPAUMMLR-OAHLLOKOSA-N 374.529 2.988 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H](CCN(C)C)c2ccccc2)nc(O)n1 299790533 BKZSEZAQMXBCOS-KRWDZBQOSA-N 356.470 2.804 0 50 FFAA O=C(CCC1=NNC(=O)CC1)NCC[C@H]1CCCCN1Cc1ccccc1 827816294 XWBQIPGGLCJUPN-LJQANCHMSA-N 370.497 2.594 0 50 FFAA Cc1cccc([C@@H](NC(=O)NCC2(O)CCN(C)CC2)c2ccccc2)c1 584891104 AXESBKDBCJSZMN-FQEVSTJZSA-N 367.493 2.840 0 50 FFAA Cc1csc(CNC(=O)C2CCN(C(=O)c3ccccc3C)CC2)n1 670443390 HPSGXNGZMHFXFB-UHFFFAOYSA-N 357.479 2.929 0 50 FFAA Cc1nc(=N[C@@H]2[C@@H](C)CN(C(=O)C3(C(C)(F)F)CC3)C[C@H]2C)s[nH]1 1875406527 GPQNSVRTEMJVQI-IAZYJMLFSA-N 358.458 2.599 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC(c3cccc(OC)c3)CC2)CC1 1875365703 QDXVTIMXDNXEDO-UHFFFAOYSA-N 356.466 2.826 0 50 FFAA O=C(OCC(Br)=C1CCOCC1)c1nc[nH]c2nccc1-2 1875312715 RCDMMGQNNZQOQH-UHFFFAOYSA-N 352.188 2.526 0 50 FFAA O=C(Cc1ccc2c(c1)CCC2)N1[C@@H](Cc2ccccc2)CCS1(=O)=O 1875362353 BHCDQDIXQOHTRG-HXUWFJFHSA-N 369.486 2.891 0 50 FFAA Cc1c(C(=O)N=[S@@]2(=O)CCC[C@@]3(CCCN3)C2)cnn1CCC(C)C 1875393157 HZLFUXPNGICOKY-AVRWGWEMSA-N 366.531 2.762 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CC(C)(C4CC4)C3)nn2C)cc1OC 1875308601 NUEFPHPVTZTPNC-UHFFFAOYSA-N 355.438 2.976 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 195264292 BYYSWDBKMNJVLD-ZDUSSCGKSA-N 353.923 2.792 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccnc(N(C)C)c2)n1C 780067739 LWOITGZCEXIAND-QGZVFWFLSA-N 355.486 2.573 0 50 FFAA CC[C@@]1(C(N)=O)CCCN(C(=O)C2(Nc3ccc(OC)cc3)CCCC2)C1 1506428780 QGFNBFOPHOUQJU-HXUWFJFHSA-N 373.497 2.924 0 50 FFAA CCn1cnnc1CCNS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1506418219 VVSDOFPNPAUIKZ-UHFFFAOYSA-N 364.515 2.733 0 50 FFAA CCO[C@@H](C)CNC(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704304499 FYVTXNISLMFSHS-NSHDSACASA-N 365.405 2.710 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(Cc3ccc(F)c(F)c3)CC2)CCC1=O 1775983909 VIROQURJCWOPPF-QGZVFWFLSA-N 365.468 2.729 0 50 FFAA CNC(=O)Cc1nc(C2(c3ccc(Cl)cc3)CCC2)n([C@H]2CCOC2)n1 1772807574 PIEZDWFLQHOSRS-HNNXBMFYSA-N 374.872 2.651 0 50 FFAA O=C(c1ccc(Cl)o1)N1CCCN(Cc2cn3ccccc3n2)CC1 1772709367 GRNUTIICVPOPPY-UHFFFAOYSA-N 358.829 2.929 0 50 FFAA CS(=O)(=O)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 11838533 DDNVROYGKGHUIK-MRXNPFEDSA-N 356.919 2.834 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 12496092 XNRNNGPBEPRNAR-VTCRGFIFSA-N 370.486 2.769 0 50 FFAA endogenous,in-man COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1 16363506 HMWIJZUZIMLJNB-UHFFFAOYSA-N 366.406 2.817 0 50 FFAA Cc1sc2ncnc(N[C@H]3CC[C@H](C(=O)NC4CC4)C[C@@H]3O)c2c1C 1857681470 KQONJGJCJPIJKC-UBHSHLNASA-N 360.483 2.528 0 50 FFAA CCCN1C[C@@H](C(=O)O)C2(CCN(Cc3cccc(F)c3F)CC2)C1 1857685056 BESCDGWWRDLPCB-HNNXBMFYSA-N 352.425 2.973 0 50 FFAA O=C(c1nnc2n1CCCC2)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1875251593 YOEYGCIVYIRFPV-DLBZAZTESA-N 352.438 2.607 0 50 FFAA C[C@H]1C[C@@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 237529323 WDCHMVZECUHZPO-HOCLYGCPSA-N 358.511 2.727 0 50 FFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@H]1CCCCNC1=O 133968903 LOKSNSVNQLPLFP-LBPRGKRZSA-N 372.899 2.810 0 50 FFAA Cc1cc2ncc(C(=O)N3C[C@@H](C)OC[C@@H]3c3ccccc3)c(C)n2n1 266369968 UOPFYJONROBRPI-RDTXWAMCSA-N 350.422 2.948 0 50 FFAA Cn1ccc2c1CN(C(=O)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2 2325740724 DMUHVFMBNNPYKL-AWEZNQCLSA-N 357.841 2.616 0 50 FFAA Cc1cc(C(=O)N2CCC([C@H](CN)c3ccccc3)CC2)cc2nn[nH]c12 2325778979 YNDFANRUOJKLJP-GOSISDBHSA-N 363.465 2.861 0 50 FFAA Cc1ccc([C@@]23C[C@@H]2CN(C(=O)N(C)Cc2cnc(N(C)C)nc2)C3)cc1 2325808794 YWKKGHSZOJUGJD-NQIIRXRSSA-N 365.481 2.676 0 50 FFAA Fc1ccc(O[C@H](c2ccccc2)c2nc(N3CCNCC3)no2)cc1F 2325857219 TVBWJTZSYKBRMT-QGZVFWFLSA-N 372.375 2.926 0 50 FFAA CNC(=O)c1ccc(NCCNC(=O)c2ccccc2)c(C(F)(F)F)c1 2325898689 USICJGXNSIZFFZ-UHFFFAOYSA-N 365.355 2.907 0 50 FFAA O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nccs1 2206913 GNGWQVDOLRTWEC-UHFFFAOYSA-N 350.875 2.947 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cnc(-c4ccccc4)n3C)C2)n[nH]1 2356148074 GDKMRBZWUKMYNW-OAHLLOKOSA-N 350.426 2.533 0 50 FFAA Cc1noc(C)c1Cc1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1)C2 2356161494 XTAYPOYITKRNGU-ZDUSSCGKSA-N 351.410 2.577 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)Cc2ccc(F)cc2F)CC[C@@H]1O 2356164706 DBCDKKAGGFWZBP-QFBILLFUSA-N 369.408 2.608 0 50 FFAA CC[C@@H](NC(=O)N1CCS(=O)(=O)C(CC)(CC)C1)c1nccs1 464265887 MHORXNXTNXUPER-GFCCVEGCSA-N 359.517 2.593 0 50 FFAA CCOC(=O)c1cn(Cc2csc(N)n2)cc(Oc2ccccc2)c1=O 55253521 BJZOHTKWYODPQS-UHFFFAOYSA-N 371.418 2.904 0 50 FFAA COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1OC 10315022 MBZHMODFNXATHH-UHFFFAOYSA-N 364.423 2.636 0 50 FFAA Nc1cc(C(=O)N2CCc3onc(-c4cccc5ccccc45)c3C2)n[nH]1 67654707 DQPVPIQWJGWIEK-UHFFFAOYSA-N 359.389 2.999 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N(C)Cc2cc(C)no2)no1 67473132 ZPIPTNIBDVGOQW-UHFFFAOYSA-N 357.366 2.831 0 50 FFAA CCN(C(=O)c1cc(CN2CCC(O)CC2)on1)[C@H](C)c1ccccc1 67805258 SRLHKMXSLGKALA-OAHLLOKOSA-N 357.454 2.855 0 50 FFAA COCCN(CCOc1ccccc1)c1nc(CCN)nc2ccccc12 65403357 JHDXZUOSXVCLOL-UHFFFAOYSA-N 366.465 2.663 0 50 FFAA COc1cccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)c1OCC(=O)O 20000896 SGYUILRQHUTSIZ-AATRIKPKSA-N 370.283 2.843 0 50 FFAA C=CC(=O)NCCC(=O)N1CCC(c2cccc(Br)c2)CC1 282005634 NYRROZOABYIMDH-UHFFFAOYSA-N 365.271 2.847 0 50 FFAA Cc1nc(CCC(=O)N2CCc3onc(-c4ccc(Cl)cc4)c3C2)n[nH]1 67788623 KDOCIBXUCAYKLH-UHFFFAOYSA-N 371.828 2.939 0 50 FFAA O=C(NCCNc1cc(-n2cccn2)ncn1)c1ccc2ccccc2c1 65363942 FYRQLUPVAXARNP-UHFFFAOYSA-N 358.405 2.657 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)[C@@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 328624755 KEBWYKIKAVRZLH-XKGZKEIXSA-N 369.513 2.850 0 50 FFAA CCc1nocc1CN(C)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 331430905 QHKAQYHVTBXXIM-ZIAGYGMSSA-N 358.442 2.518 0 50 FFAA C[C@]1(CO)CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)C1 215485093 PELXDEVYWOZLNW-NRFANRHFSA-N 360.498 2.672 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)o1 39479067 YHEUGWCIMGSSSG-GOSISDBHSA-N 362.445 2.634 0 50 FFAA COc1cc2c(cc1CN1CCCN(c3ccnc(C)c3)CC1)OCCO2 72138955 VLWPEURQDSQVKJ-UHFFFAOYSA-N 369.465 2.882 0 50 FFAA NC(=O)COc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 173291245 VQFCHAIXZWQYSS-GOSISDBHSA-N 371.412 2.737 0 50 FFAA Cc1nnsc1CN1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72477722 JYDPRRAQBCACGN-LJQANCHMSA-N 371.510 2.646 0 50 FFAA CCc1cc(N2CCN(Cc3csc(C)n3)CC2)n2nc(C)c(C)c2n1 72463133 YHGGTPMOLCMULM-UHFFFAOYSA-N 370.526 2.996 0 50 FFAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(c2cc(NCCO)ncn2)C1 71779946 ZTLLXQRBRAAFCM-CQSZACIVSA-N 360.845 2.634 0 50 FFAA CCOc1ccc(-c2ccnc(N(C)Cc3cc(C)[nH]n3)n2)cc1C(=O)O 77438126 ROUIJYTWYJBEBC-UHFFFAOYSA-N 367.409 2.908 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccc(CN4CCCCCC4)cc3)CC2)N1 219619617 QYWKVOWGCOMQLL-UHFFFAOYSA-N 369.509 2.947 0 50 FFAA CCc1cc(NC2CCN(C[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1 72420284 HJZNBPCFVXGVGB-SFHVURJKSA-N 357.502 2.964 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cc(C)nc(C)n3)CC2)OC1=O 77535050 AIYYKWMYPJXHDR-AWEZNQCLSA-N 360.458 2.709 0 50 FFAA CN(C(=O)c1n[nH]c2ccccc12)C1CCN(CCc2ccccn2)CC1 129352924 WVRAEFHNRKABRS-UHFFFAOYSA-N 363.465 2.737 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)N1CCC(c2ccncc2)CC1 77377019 VBFUTEZUNSKRQV-UHFFFAOYSA-N 358.463 2.652 0 50 FFAA COc1cccc(CN2CC3(CCN(c4ccc(C)nn4)CC3)CC2=O)c1 77354031 KOUJFUPSRGQYKL-UHFFFAOYSA-N 366.465 2.813 0 50 FFAA CCc1ccc2occ(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)c2c1 285956233 GLSAIEWOEWKOJF-MRXNPFEDSA-N 366.421 2.572 0 50 FFAA Cn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)cccc21 223225275 HOCWFCGZDXJYOT-SJLPKXTDSA-N 351.406 2.540 0 50 FFAA O=C(O)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 263403960 IZVYDWGLAAVAEU-QRVBRYPASA-N 350.418 2.631 0 50 FFAA CC(=O)N1CCCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 193309248 UWRWWXYRHPFSLA-UHFFFAOYSA-N 355.891 2.696 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)C1 426401589 AZTZOVBQRXDVBT-AWEZNQCLSA-N 367.449 2.744 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccnc2ccccc12 220408918 FNTCGNJLOMQSNC-QZTJIDSGSA-N 369.446 2.795 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2nc3ccc(Cl)cn3c2F)C1 82167099 VAISHHZTOXKCRI-LLVKDONJSA-N 361.808 2.880 0 50 FFAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 223101845 VOMYZMWIZPAIGK-UHFFFAOYSA-N 365.355 2.940 0 50 FFAA O=C(NCCN1CCCc2ccccc21)N1CCC[C@H](Cn2ccnc2)C1 426550381 HKGYIEMOTDXEOK-GOSISDBHSA-N 367.497 2.758 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1 95518921 CCWAUSYOJYGRAJ-RBUKOAKNSA-N 354.498 2.700 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCN3CCC(CO)CC3)c2c1 95517958 VBPPCQVSQJJIST-UHFFFAOYSA-N 355.482 2.594 0 50 FFAA O[C@@H]1COC2(CCN(Cc3sc(N4CCCC4)nc3Cl)CC2)C1 97698912 PIQBMDUTDGTNMP-LBPRGKRZSA-N 357.907 2.513 0 50 FFAA Cc1ccc(C)c(-n2nc(Cn3cncn3)nc2[C@@H](C)CN2CCCC2)c1 96136216 PKLNMDQSBNQBKU-KRWDZBQOSA-N 365.485 2.723 0 50 FFAA O=C(N[C@@]1(C(=O)O)CCCc2ccccc21)c1cccc(-n2cccn2)c1 95392075 IVIGTYJNDHULKI-NRFANRHFSA-N 361.401 2.919 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)o1 91563540 RWSZMTMPCDXAQH-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccncc1F)CC2 95369069 KLSYKLYCDWGATM-QGZVFWFLSA-N 367.424 2.841 0 50 FFAA CN(C)C1(CNC(=O)CO[C@H](c2ccccc2)C(F)(F)F)CCOCC1 244794742 QSQIHVYILQXCCG-MRXNPFEDSA-N 374.403 2.534 0 50 FFAA CNC(=O)c1cccc(CNC(=O)C2(N3CCCCC3)CCCCC2)c1 244659499 HDSUHBQGSQBSSC-UHFFFAOYSA-N 357.498 2.851 0 50 FFAA CN(C)CCN(C)c1ccc(Br)cc1NCc1cncn1C 864097144 LEAGMPIOTDVIRR-UHFFFAOYSA-N 366.307 2.793 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2cccc3ccnn23)cc1 534656122 TZHCLAXHDIWTNF-AWEZNQCLSA-N 350.422 2.598 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)N[C@@H](c1nccn1C)C1CC1 534644202 QXKJYXXSKPQZJC-QGZVFWFLSA-N 366.425 2.763 0 50 FFAA C[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2n[nH]c(N(C)C)n2)c1 299760514 VGCHRBHQDSZSLL-CYBMUJFWSA-N 350.426 2.766 0 50 FFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NCCCc1cnn(C)c1 299759375 RIMBAHOICIRSNB-UHFFFAOYSA-N 354.410 2.898 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@@H](Cc1cnc[nH]1)n1cccc1 670447607 DQSNANGRXBRKRL-HXUWFJFHSA-N 363.465 2.564 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccnc(C(F)(F)F)c3)n[nH]c21 1875294059 LROJTAQDDFNYBQ-BDAKNGLRSA-N 354.332 2.776 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@@H]3CCCC[C@@H]3n3cccn3)CC2)CC1 1875385860 DDUAHIIDTNJJHT-MSOLQXFVSA-N 370.497 2.688 0 50 FFAA COc1cccc(CC(=O)N[C@@H]2CCN(C(=O)c3ccsc3C)C2)c1 1875342051 VKOBVDFWJDRLIL-OAHLLOKOSA-N 358.463 2.639 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)c1ccc(CN2CCCC2)o1 952965676 BFJFHCVBAQOMIL-UHFFFAOYSA-N 372.450 2.841 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C2)ccn1 886094750 DCRSFZJLQAGEEX-KRWDZBQOSA-N 354.454 2.642 0 50 FFAA COCCN1C(=O)C[C@@H](CNC[C@@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 275275336 JQPIBBNYJXGPIV-SHJAMOMRSA-N 374.529 2.538 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)C1CCS(=O)(=O)CC1 186940686 BEKXRODWTWEQCQ-CQSZACIVSA-N 361.511 2.792 0 50 FFAA COc1ccc([C@@H](CO)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 225494043 RGSGCULMMZWKKN-QGZVFWFLSA-N 352.475 2.917 0 50 FFAA Cc1noc(-c2ccc(S(=O)(=O)NCc3cc(C4CC4)on3)o2)c1C 1506412935 PXBGPVLVELIDLB-UHFFFAOYSA-N 363.395 2.895 0 50 FFAA O=C(CN1Cc2ccccc2C1)N1CCC(Cc2ccc(O)nc2)CC1 1772809124 MTPHOMIHAKITAF-UHFFFAOYSA-N 351.450 2.584 0 50 FFAA Cc1cc2ncn(Cc3cc(C(=O)N(C)C4CCOCC4)n[nH]3)c2cc1C 11663196 RZBLEFVTHGSREE-UHFFFAOYSA-N 367.453 2.676 0 50 FFAA Cc1c(CC(=O)NC[C@@H](C)O)c2c(n1Cc1ccc(F)cc1)CCCC2=O 11815294 OAFBPOVFDAMLQL-CYBMUJFWSA-N 372.440 2.542 0 50 FFAA O=C(CCN1CCCO1)NCc1cccnc1Oc1ccc(F)cc1F 11934639 CCZHFIXWMRWRMJ-UHFFFAOYSA-N 363.364 2.796 0 50 FFAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCCN(C(N)=O)C1 11937102 OUZWWVRWUMNLFH-MRXNPFEDSA-N 368.437 2.589 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)c3ccc(C)s3)CC2=O)cc1 12206982 JIAZBFIYCDAYTJ-OAHLLOKOSA-N 358.463 2.639 0 50 FFAA COc1ccc(CC2=NO[C@H](C(=O)NCCc3ccccc3F)C2)cc1 12213766 JEFGGBFUCMJCJQ-IBGZPJMESA-N 356.397 2.881 0 50 FFAA CSc1nc2ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc3n2n1 12323051 AOCAJMNQEPOXBR-UHFFFAOYSA-N 357.826 2.863 0 50 FFAA Cn1cc(/C=C/C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)cn1 12431787 HRUADKROEKQYBF-XVJNWHFHSA-N 367.478 2.828 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 12588165 JVAYQNCZDYKLBG-MRXNPFEDSA-N 364.873 2.513 0 50 FFAA CCCc1n[nH]c2c1CN(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)CC2 19640591 LFMNRFONHQPHCQ-UHFFFAOYSA-N 358.442 2.682 0 50 FFAA COc1ccc(Br)cc1CN1CCC(N2CCOCC2)CC1 19868033 KWPQHJMDAHOJMU-UHFFFAOYSA-N 369.303 2.754 0 50 FFAA Cc1nc(CC(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c(C)s1 161718484 OAKGAWZGWCJPMN-UHFFFAOYSA-N 361.467 2.625 0 50 FFAA C[C@H](NC(=O)c1cc(-n2cnnn2)n[nH]1)c1ccc(-c2ccccc2)cc1 1857673990 WEDOMCXBOCLJBW-ZDUSSCGKSA-N 359.393 2.543 0 50 FFAA Cc1cccc(-c2nc(CN3CCC4(CC3)CC(=O)NCCO4)c(C)o2)c1 1857685540 WYFGGODCYVNBNX-UHFFFAOYSA-N 369.465 2.830 0 50 FFAA O=C(NC1CCNCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696771 CAYCXTBZXZYUSQ-LBPRGKRZSA-N 362.861 2.566 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H]1CCC[C@H](N)C1)CC2 1857697833 OCDFCVFVZMENKL-SJORKVTESA-N 352.482 2.532 0 50 FFAA Cn1nc(-c2nc(-c3ccccn3)nn2CCc2cnc[nH]2)cc1C1CC1 1857711460 AXNKBHJHUQTSSS-UHFFFAOYSA-N 360.425 2.584 0 50 FFAA OCC[C@H]1CN2C[C@H](n3ccnc3-c3cc(F)cc(Cl)c3)C[C@H]2CO1 1857734262 GVNSDRXSVSMRNY-IKGGRYGDSA-N 365.836 2.739 0 50 FFAA CCc1nc(C(=O)N2CCCC[C@H]2C(=O)O)nn1-c1ccccc1Cl 136503595 FZTJDHHSXJFJIJ-ZDUSSCGKSA-N 362.817 2.562 0 50 FFAA COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)NCC[C@@H](N)Cc1ccccc1 2325866512 NVFRPIHTHGUDFD-AGHHOFFYSA-N 367.493 2.985 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2n[nH]c(C)c2Br)cc1 2325889979 LORLEPIOUCSQBD-UHFFFAOYSA-N 363.215 2.882 0 50 FFAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1COc2ccccc2O1 797012 RDOZZKMGMCJBJF-HXUWFJFHSA-N 352.434 2.607 0 50 FFAA COc1ccc(C)cc1NC(=O)c1c(I)cnn1C 894846 IPUKYQDJOPQNFW-UHFFFAOYSA-N 371.178 2.594 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 1108770 BQSKLHBQCWLVDD-AWEZNQCLSA-N 362.451 2.618 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC 3077571 FFCREVYRHWHYCJ-LRDDRELGSA-N 358.394 2.849 0 50 FFAA Cc1n(C)c2ccccc2[n+]1CCOCC[n+]1c(C)n(C)c2ccccc21 3129839 LOXJFLUOQUDXIU-UHFFFAOYSA-N 364.493 2.579 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@]12CCCN(C)C2=O 2356162624 GXXGVTXUPUDGGT-OAQYLSRUSA-N 368.481 2.602 0 50 FFAA COc1ccc(CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1OC 4074101 AEVLGUUMRHDJHT-KRWDZBQOSA-N 366.417 2.635 0 50 FFAA biogenic COc1cc(NC(=O)CS(=O)(=O)c2ccccc2)c(OC)cc1Cl 4814380 PASRIRMXEWXZKY-UHFFFAOYSA-N 369.826 2.770 0 50 FFAA COc1cccc([C@H](O)CN2CCC(c3nnc4ccccn34)CC2)c1 115532658 JDLIQPACYWJWDW-GOSISDBHSA-N 352.438 2.651 0 50 FFAA Cc1ccc(N[C@](C)(C(=O)NCCCc2nnn[nH]2)c2ccccc2)cc1 55211541 SPWSZQIHGQAESV-FQEVSTJZSA-N 364.453 2.584 0 50 FFAA CCCCn1nnnc1NC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 23543700 ZUIZHTHOZNGRMQ-OAHLLOKOSA-N 356.430 2.600 0 50 FFAA Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(N2CCCC2)n1 64799690 LZLIVRIAJKIOLI-UHFFFAOYSA-N 357.502 2.614 0 50 FFAA CCn1c(C2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)n[nH]c1=O 65385509 DQTDSEATPKMLND-UHFFFAOYSA-N 372.513 2.904 0 50 FFAA COc1ccc(OC)c(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)c1 20419513 KNDNOMIMQSHFCQ-IBGZPJMESA-N 362.514 2.905 0 50 FFAA COc1cccc(CCCNC(=O)N2CCN(Cc3cccnc3)CC2)c1 67083560 ZRCVMMFDIGBYJQ-UHFFFAOYSA-N 368.481 2.550 0 50 FFAA O=C(O)c1ccc(-c2noc(CN3CCC[C@@H](Cn4ccnc4)C3)n2)cc1 67674782 HCGANWRZGCZHHR-CQSZACIVSA-N 367.409 2.544 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCN4CCCC[C@H]4C3)no2)c1 67723755 WDDCYUQDRKQOEH-HNNXBMFYSA-N 371.437 2.573 0 50 FFAA O=c1[nH]c(-c2ccccc2CN2CC(n3cccn3)C2)nc2c1CCCC2 23232153 OLYYGDKRUGLYEO-UHFFFAOYSA-N 361.449 2.569 0 50 FFAA CCc1n[nH]c(=O)c(CNC(=O)c2ccc3nc(C)ccc3c2)c1CC 120420987 JSAKJYFZIILDMT-UHFFFAOYSA-N 350.422 2.681 0 50 FFAA Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 122315737 NRIKQMMLSFDUDH-QXAKKESOSA-N 357.498 2.935 0 50 FFAA CN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 12595156 YXSVINOCPDMRKY-INIZCTEOSA-N 358.413 2.858 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 676267 CFROQGOZIDAUFI-ZDUSSCGKSA-N 371.389 2.974 0 50 FFAA biogenic CCOc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 151620631 ARDMYXAIZAVGHA-KBPBESRZSA-N 356.426 2.741 0 50 FFAA O[C@]1(CN(Cc2cccc(F)c2)Cc2ccc3c(c2)OCO3)CCCNC1 72475746 NLEPOWCFQWSIEB-OAQYLSRUSA-N 372.440 2.671 0 50 FFAA CCN(C(=O)CN1CC[C@@H](Oc2cccnc2N(C)C)C1)c1ccccc1 253430848 SKBYGINSYUYYAE-GOSISDBHSA-N 368.481 2.654 0 50 FFAA CCc1nnnn1-c1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 173071911 BOVXROFOPPQAGO-PBWFPOADSA-N 353.426 2.559 0 50 FFAA Cc1nc(O)cc(C2CCN(Cc3cc4c(cc3C)OCCO4)CC2)n1 72148420 VPVAMOCHSFIBBU-UHFFFAOYSA-N 355.438 2.950 0 50 FFAA O=C(CCc1nc(Cl)n[nH]1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72432749 SBRCMBQMMZYZOW-LLVKDONJSA-N 358.833 2.673 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@H]2CCO)c(F)c1 39557860 MIQCXBWTEKZGBX-LJQANCHMSA-N 373.472 2.607 0 50 FFAA CC(C)[C@@]1(C)N=C(O)N(Cc2ccc(S(=O)(=O)C(C)C)cc2)C1=O 330795814 XFVFOFHXMWGODQ-QGZVFWFLSA-N 352.456 2.540 0 50 FFAA COc1cc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)ncn1 72146776 UVYNMLAFWSBYDM-LBPRGKRZSA-N 366.343 2.717 0 50 FFAA C[C@@H]1CN(C(=O)/C=C/c2ccc(OCc3cccnc3)cc2)C[C@@H](C)N1 153653654 IOXYRDCSMUNNBM-JSMQFAGNSA-N 351.450 2.883 0 50 FFAA Cc1noc(-c2ccccc2C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)n1 363420453 XTLDLKTUBZTWEW-AWEZNQCLSA-N 353.382 2.673 0 50 FFAA CC[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1N1CCOCC1 378177297 DJCIBYMVDUSKLZ-BBRMVZONSA-N 367.877 2.923 0 50 FFAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(C)s1 77288128 PQVUDRPMMAXRTQ-HNNXBMFYSA-N 370.540 2.921 0 50 FFAA CN(C)C1CCN(CCNC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 378558049 KUKFOEXRJBPTAD-ZJVMWOEPSA-N 370.541 2.900 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@@H]1CCCN(c2cc(C)nc(C)n2)C1 375968845 NUGSGZSAZHVJOQ-QGZVFWFLSA-N 372.444 2.569 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)C2CCOCC2)[C@@H]2C3CCN(CC3)[C@H]12 72145184 WRRGMZFQGZBJFZ-CEWLAPEOSA-N 370.493 2.510 0 50 FFAA Cc1ccc(Cc2noc([C@@H]3CC(=O)N(Cc4ccccn4)C3)n2)s1 377643607 DGNMYSPPKDIUGQ-CYBMUJFWSA-N 354.435 2.941 0 50 FFAA O=C(N[C@@H](CC(F)F)C(=O)O)c1cncc(-c2ccc3c(c2)CCO3)c1 263082308 SBPTZCMLMJWTOL-AWEZNQCLSA-N 362.332 2.522 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 72429946 YQPSXSNUAFMJDX-UHFFFAOYSA-N 369.440 2.836 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)NCCCc3csc(N)n3)n2)c1 218982577 DODJYBKCAMWEES-UHFFFAOYSA-N 371.466 2.765 0 50 FFAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3nc(S)oc3c1)CC2 175191537 PNBQRYVVBYUBDN-HUUCEWRRSA-N 362.451 2.509 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc(Cl)s3)CC[C@H]2N1CCCCO 72426306 CQVTVMSQISQXCG-DZGCQCFKSA-N 356.919 2.987 0 50 FFAA COc1cccc(-n2cc([C@@H](C)NC(=O)c3cc(=O)cc(C)o3)cn2)c1 221452680 KSZKXNPKJCLTDK-CYBMUJFWSA-N 353.378 2.634 0 50 FFAA NC(=O)C[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C1CCOCC1 176899270 MGLVXVZXSFBOTB-LJQANCHMSA-N 374.481 2.799 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)NCc2sc3ccccc3c2Cl)C1 426406382 ZUHFPDBBAOSQDN-SNVBAGLBSA-N 351.859 2.962 0 50 FFAA O=C(c1onc2c1CCCC2)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 426740468 KSKFZTFCVJXGFF-OAQYLSRUSA-N 371.481 2.808 0 50 FFAA COc1ccccc1C1=NO[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 6738330 ICOVGHRYDBUONA-FQEVSTJZSA-N 365.433 2.537 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2ccc(N3CCN(C)C3=O)cc2)n1 95498280 PVZLUDBVCKJHIH-CQSZACIVSA-N 370.457 2.582 0 50 FFAA CN1CC[C@@H](NC(=O)N2CCC(F)(F)CC2)[C@@H](Cc2ccccc2)C1 426615639 ZFDWIQCOSRYCDN-DLBZAZTESA-N 351.441 2.990 0 50 FFAA CSCCc1nc([C@H]2CCCCN2Cc2ccccc2)n(CCO)n1 96139495 MKLFDQFWGHBJNL-QGZVFWFLSA-N 360.527 2.903 0 50 FFAA Cc1ccc(F)cc1CN1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 95363170 SDEAXKUGSPORPO-INIZCTEOSA-N 368.460 2.887 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc(-c2cn[nH]c2)c1 97172911 JDJNCVIWTXLUHJ-KRWDZBQOSA-N 364.405 2.704 0 50 FFAA Cc1cccc(-c2ncc(C(=O)NCc3sc(C)nc3C)c(=O)[nH]2)c1 91586328 VAIVKULVAUESPZ-UHFFFAOYSA-N 354.435 2.749 0 50 FFAA COCCCCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95355079 HVGJUPOHRPFBAZ-SFHVURJKSA-N 358.482 2.858 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 92081978 LSZQXNAZFBQRTR-KRWDZBQOSA-N 364.492 2.589 0 50 FFAA CCc1cnc(N)nc1N1CCC(C(=O)N(CC)Cc2ccccc2)CC1 95353079 OGVVRACMTJZNIF-UHFFFAOYSA-N 367.497 2.886 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cn1 181209250 DKGVQCHLOVAZID-UHFFFAOYSA-N 354.378 2.900 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)no1 244678688 IIKBMRXKXOVAAL-SFHVURJKSA-N 368.481 2.617 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)N(CC(=O)O)C2CCOCC2)ccc1Cl 299748744 IAUXOABDXFXKJR-LBPRGKRZSA-N 355.818 2.508 0 50 FFAA Cn1c(C(=O)N2CC[C@@H](CN)C2)ccc1-c1ccccc1Br 299739980 UJTFETQYDFSPAB-LBPRGKRZSA-N 362.271 2.875 0 50 FFAA N=C(NO)c1cc(Cl)cn(-c2ncc(C(F)(F)F)cc2Cl)c1=O 261494915 SLSNSMOXUDATSX-UHFFFAOYSA-N 367.114 2.862 0 50 FFAA CCN1CCC[C@H](NC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)C1 534637823 OFJJAEALTRMKCJ-KRWDZBQOSA-N 351.454 2.653 0 50 FFAA COc1cccc(C(=O)NCc2cccc3[nH]ccc23)c1OCCCN 299783397 YYDISKRGYINVAZ-UHFFFAOYSA-N 353.422 2.834 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Nc3c(-c4ccccc4)cnn3C)C2)n1 299757961 LSNUNDUNRZZMAK-OAHLLOKOSA-N 365.441 2.925 0 50 FFAA COc1ccc2c(c1)[C@@H](NC(=O)CSc1nnc(C)o1)CC(C)(C)O2 299782554 FTRXROMLYNIJSJ-ZDUSSCGKSA-N 363.439 2.897 0 50 FFAA COCC(=O)Nc1cc(C(=O)O)cc2ncn(CCc3ccccc3)c12 299758298 OAURRSBMVUDANU-UHFFFAOYSA-N 353.378 2.562 0 50 FFAA CCc1ccccc1NC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299782291 SMYFBCSNPAUFCK-UHFFFAOYSA-N 369.469 2.765 0 50 FFAA COc1ccc2[nH]c(CNC(=O)c3cnc(-c4ccccn4)nc3)cc2c1 670452582 NQLLVWLHXWDXFR-UHFFFAOYSA-N 359.389 2.959 0 50 FFAA Cc1c(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)n[nH]c1-c1ccccc1 584903619 LGJPQWHBOGMDKD-HNNXBMFYSA-N 366.465 2.906 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cc(F)cc(Br)c2F)[C@@H](C)C1 1875380918 DZTPPQLNLWJSDM-VIFPVBQESA-N 373.197 2.586 0 50 FFAA Clc1ccccc1CCN=c1ccc2nnc(-c3ccncc3)n2[nH]1 1875361204 UBSSDGYUBJMNMP-UHFFFAOYSA-N 350.813 2.916 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N3CC=C(C(F)(F)F)CC3)cc2=O)cc1 270526942 UVNOKJOCRMSQEL-UHFFFAOYSA-N 351.328 2.809 0 50 FFAA CSCc1cc(NC(=O)C(=O)N[C@@H](CO)c2ccco2)ccc1Cl 952876004 UFFCAKXCHUXIBQ-ZDUSSCGKSA-N 368.842 2.584 0 50 FFAA COc1ccnc(N2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)c1 270445921 CBWKBPGKNICBLW-GOSISDBHSA-N 367.449 2.557 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cncc(C(F)(F)F)c3)n[nH]c21 1875295301 FKBHEJFZJVVSAT-BDAKNGLRSA-N 354.332 2.776 0 50 FFAA NC[C@@H]1CCCC12CCN(C(=O)CCCN1Cc3ccccc3C1=O)CC2 1875287274 BXBHTPCKHPUSCL-SFHVURJKSA-N 369.509 2.790 0 50 FFAA C[C@@H](O)CN(C)S(=O)(=O)c1sc2ccccc2c1Br 1875289819 RHVCFRCNCUIXQZ-MRVPVSSYSA-N 364.286 2.665 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCOC(C)(C)C2)C1 1875259798 PLHWRASXXAMLSH-CABCVRRESA-N 362.474 2.669 0 50 FFAA Cc1noc(C)c1CCNC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1 1875288957 NFDIRZIBXGLDJR-UHFFFAOYSA-N 367.453 2.920 0 50 FFAA C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-c2ccccc2CN)cc1 1875287771 YVZXVCURNYPUSJ-OAHLLOKOSA-N 351.450 2.553 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NC(C)(C)c2cn(C(C)C)nn2)cc1 1875374039 YGCRZHYPAKNVRD-UHFFFAOYSA-N 355.442 2.673 0 50 FFAA C=CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875375174 TVLUYXXRSQKVQJ-AWEZNQCLSA-N 356.875 2.576 0 50 FFAA COCC(=O)Nc1cc(NC(=O)c2ccc(F)c(OC)c2)ccc1OC 952971339 IRPKBVSBDPCUCO-UHFFFAOYSA-N 362.357 2.680 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888094755 BMRYYNCZVYESRP-AXHNFQJDSA-N 356.422 2.551 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1CCCO[C@@H]1c1ccccc1 170644408 OZIPHKCTUHBDOF-JKSUJKDBSA-N 372.494 2.728 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3O)CCO2)cn1 191786638 LNZPTWOYDUDROB-AWEZNQCLSA-N 353.781 2.615 0 50 FFAA COc1ccccc1-c1nc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)no1 192343218 OOBLSUCYKYLTRH-CQSZACIVSA-N 371.359 2.848 0 50 FFAA C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2ccnn2C)CC1 195502908 LERDIMGHEDOKMF-OAHLLOKOSA-N 358.461 2.786 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1nc(O)nc2ccccc12 1506427365 XTKPMVMRDWDIQS-OAHLLOKOSA-N 362.433 2.934 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(Cl)cn3C)C1)CC2 1704344169 OVAQDAHOBMAHOH-IBGZPJMESA-N 373.888 2.655 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(-c4ccccc4)no3)CCN21 1615736905 QQXZGMIXCJCTHJ-SJORKVTESA-N 355.438 2.667 0 50 FFAA O=C(c1ccccc1OC(F)F)N1CCCN([C@@H]2CCSC2)CC1 1772815387 KHQWEBAXCOIDTO-CYBMUJFWSA-N 356.438 2.941 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)Oc2ccc3oc(=O)sc3c2)cc1 5061096 MUMMKMPQPQCKCV-UHFFFAOYSA-N 365.388 2.640 0 50 FFAA COc1ccc(CC2=NO[C@@H](CNC(=O)COc3ccc(C)cc3)C2)cc1 12052356 PKPVMCJHKARGTI-HXUWFJFHSA-N 368.433 2.886 0 50 FFAA COCCN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CCC1=O 15008829 STSMPLTUPJYSJH-UHFFFAOYSA-N 350.462 2.939 0 50 FFAA COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3C(=O)OC)c(C)o2)cc1 15062876 JZKBVTJFOPZZOC-QGZVFWFLSA-N 372.421 2.964 0 50 FFAA CCCCCc1nc(-c2ccn3nccc3c2)n([C@H]2CCS(=O)(=O)C2)n1 1857676263 NAMJYKNXMLEBHD-INIZCTEOSA-N 373.482 2.685 0 50 FFAA CC[C@@]12COC(=O)N1CCN(c1ccnc(-c3ccc4c(c3)OCO4)c1)C2 1857701797 PGTKEOUFFVMUGU-HXUWFJFHSA-N 367.405 2.898 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(c3cc(C(F)(F)F)cc(C)n3)C[C@]23CC[C@H]1O3 1857709435 XMMOUHSLDRJGOK-KLZNWCGWSA-N 369.387 2.529 0 50 FFAA CC1(NC(=O)[C@H]2CC(=O)N(c3nnc(Cc4ccccc4)s3)C2)CCC1 1857735856 UXNQGCJMAFHTDD-AWEZNQCLSA-N 370.478 2.541 0 50 FFAA COc1ccc([C@@H](CO)N(C)S(=O)(=O)c2cccc3cnccc23)cc1 119741164 LUIUJCPZAZWSBC-GOSISDBHSA-N 372.446 2.598 0 50 FFAA CCCN(C(=O)c1c(Cl)c2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 331749595 FFUQQDKTNBQGQL-GFCCVEGCSA-N 368.886 2.871 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2O[C@@H](c3ccccc3)O[C@H]21 253575970 VGLOFWHLPMVSBF-RTKJTKBQSA-N 370.401 2.955 0 50 FFAA in-vitro COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 4380815 CIMCNPZWSJVKTC-UHFFFAOYSA-N 359.363 2.847 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N=c1[nH][nH]c2c(C(F)(F)F)cccc12 2100542941 KJXZBBBGOXUTLO-LLVKDONJSA-N 370.331 2.563 0 50 FFAA CC1(C)C[C@](C)(C(=O)NCc2cccc(COC3CCOCC3)c2)CN1 2325809269 WTMAOHPKJFJJOU-NRFANRHFSA-N 360.498 2.777 0 50 FFAA O=C(Nc1ccccc1C(=O)OCCN1CCCC1=O)c1ccc(F)cc1 1138828 QFZREZJDSVZJNQ-UHFFFAOYSA-N 370.380 2.857 0 50 FFAA O=C(COc1cc(N2CCOCC2)c2ccccc2c1Cl)NC1CC1 4841075 PAVLMQVYKGFMIK-UHFFFAOYSA-N 360.841 2.987 0 50 FFAA COC(=O)C1=NN[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 4872803 REVJLUNGAAKXGM-HZPDHXFCSA-N 372.808 2.816 0 50 FFAA Cc1c(C)c(C)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c(C)c1C 6699387 PRZPHNGQKWZCGR-UHFFFAOYSA-N 353.484 2.756 0 50 FFAA COC[C@@H](NC(=O)CCSCc1ccc(F)cc1)c1ccnn1C 55073214 FQUFUALHNDCGRU-OAHLLOKOSA-N 351.447 2.686 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 55060337 SLQJPHSIAOGIHP-UHFFFAOYSA-N 361.829 2.638 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2CCCCN2C)no1 67908662 YRMCRGFJAJFLSZ-OAHLLOKOSA-N 373.453 2.819 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C2CCN(C)CC2)CCO3)n1 67919895 YBFOZOSTOXPKBV-UHFFFAOYSA-N 368.481 2.755 0 50 FFAA CCn1ccnc1-c1c(-c2ccccc2)ncn1CCN1CCOC1=O 65409078 KTPAMIKRFVANSI-UHFFFAOYSA-N 351.410 2.886 0 50 FFAA CCCn1c(C)c(CC(=O)NCc2nccn2C)c2c1CC(C)(C)CC2=O 39485769 HVQALKQYBALMKY-UHFFFAOYSA-N 370.497 2.954 0 50 FFAA CCn1ncc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC)c3n2)c1C 2781193 OZHDOTQHYZNQNQ-UHFFFAOYSA-N 353.304 2.727 0 50 FFAA Cn1ncc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Br)c1=O 329730352 HVGACOXSFNCOGE-OCCSQVGLSA-N 364.243 2.875 0 50 FFAA CN(C)c1ncc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cn1 154543763 VGBAWKMYHDBMFE-CQSZACIVSA-N 374.420 2.917 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@H](C)Nc2cnn(C[C@@H]3CCCO3)c2)c1 363998495 IGEIMNLDIFYNDK-UGSOOPFHSA-N 356.426 2.704 0 50 FFAA CCc1nc(CN2C[C@@H](c3cccc(OC)c3)[C@@H]3[C@H]2C2CCN3CC2)no1 72133758 UQDRUOJFZJDFCG-IOMROCGXSA-N 368.481 2.703 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCc2nc(N)sc2C1 72479973 SLONMPLICKJGNH-UHFFFAOYSA-N 367.478 2.655 0 50 FFAA O=C1NCCN1c1ccc(CC(=O)N2CCC[C@H]2c2ccccn2)cc1 72417911 BPWAHUHROMQEDI-SFHVURJKSA-N 350.422 2.517 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C(=O)O)c1cccs1 448994280 OLXRVAMWTZYJSH-MAUKXSAKSA-N 372.446 2.526 0 50 FFAA CCCc1nc(N[C@H](C)c2nc(-c3ccccn3)no2)c2cnn(C)c2n1 72122292 JDTGYCADXASLRP-LLVKDONJSA-N 364.413 2.934 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[nH]n1 72418251 PQDOZUPIPDCARE-CYBMUJFWSA-N 351.454 2.811 0 50 FFAA O=C(NCc1nnc2n1CCCCC2)c1csc(Cc2ccccc2)n1 73899517 GXJOBXRIJXDGMC-UHFFFAOYSA-N 367.478 2.982 0 50 FFAA CN(C)Cc1cc2n(n1)CCCN(Cc1cnc(-c3cccs3)nc1)C2 72129018 HPCNEFJGMBSYIW-UHFFFAOYSA-N 368.510 2.869 0 50 FFAA Cc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)n1 77353860 UQPZOGVGCLGHOF-UHFFFAOYSA-N 364.405 2.836 0 50 FFAA COc1cc(F)c(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)c(F)c1 221366498 DVKWTRLFMAHWTG-SECBINFHSA-N 360.320 2.909 0 50 FFAA C[C@](CNC(=O)c1cccc([C@@H]2CCOC2)c1)(C(=O)O)c1ccccc1 263303819 DTZVROCBANKHOD-DYESRHJHSA-N 353.418 2.963 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCO[C@@H](CN2CCCCC2)C1 220453596 AMHOZZCSGYMVEW-INIZCTEOSA-N 350.434 2.551 0 50 FFAA COc1ccccc1N1C[C@@H](NC(=O)c2ccccc2SC)CC1=O 222992985 MWVTVHROVLFUTC-ZDUSSCGKSA-N 356.447 2.952 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc2ccc(OC)cc2n1C 82157421 OQUGPRAHPILHAQ-MRXNPFEDSA-N 357.454 2.660 0 50 FFAA CC(C)n1cncc1CSc1nnc(CCN)n1-c1ccccc1F 426719801 FDFBUGFQUPBJTL-UHFFFAOYSA-N 360.462 2.977 0 50 FFAA CC(C)c1nnc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)o1 426571345 BQROWBFYFIIQAV-INIZCTEOSA-N 354.454 2.831 0 50 FFAA CC[C@H](C)NC(=O)N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 91933787 RNANSAXWSVAAOW-KRWDZBQOSA-N 372.513 2.837 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N(C)Cc1n[nH]c2c1CCC2 96148149 BKZQTVUWBFTZMU-UHFFFAOYSA-N 365.441 2.705 0 50 FFAA COc1ccc(OC)c(CNC(=O)N2CCC(Oc3ccncc3)CC2)c1 426428805 BSGSRONGXDGRBY-UHFFFAOYSA-N 371.437 2.852 0 50 FFAA CC(C)c1ccc([C@@H](CCO)NC(=O)Cn2[nH]c3ccccc3c2=O)cc1 97694714 GPJJXULDNAGIJU-GOSISDBHSA-N 367.449 2.693 0 50 FFAA CNC(=O)CCc1ccccc1NC(=O)N[C@H](c1nccn1C)C(C)C 97522089 UJSUNPZSACIIAP-KRWDZBQOSA-N 357.458 2.618 0 50 FFAA CCCN1CCC(CC(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)CC1 95527563 OWNHBJFHZPMGLX-KRWDZBQOSA-N 354.397 2.719 0 50 FFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cnc(C2CC2)[nH]c1=O 97745074 YLQJFHRCAUFQDW-LBPRGKRZSA-N 363.421 2.871 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N1CCC(OCc2ccccc2)CC1 95531287 HPVVBPHOUHQDEP-UHFFFAOYSA-N 370.493 2.987 0 50 FFAA CCCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C1CCNCC1 236847910 ZXEULGBUIMKFKE-ROUUACIJSA-N 373.541 2.900 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 95389510 IRLSNHZPGZQIJV-KRWDZBQOSA-N 369.465 2.759 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCO[C@@H](CN2CCCCC2)C1 91256015 JODAKXMCFCZYNI-IBGZPJMESA-N 368.481 2.794 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)[C@@H](C)n1c(=O)oc3ccccc31)nn2C 252480668 CCABTVTWTYAUGE-CYBMUJFWSA-N 364.405 2.667 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)N[C@@H]1CCc2ccccc2C1 299515803 CRCOTYPDLITWRE-GOSISDBHSA-N 367.449 2.741 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)c3cc(C)on3)C[C@@H]1N(Cc1ccc(C)o1)CC2 534590216 JBDIDZDMNVQMRA-MOXGXCLJSA-N 373.453 2.826 0 50 FFAA O=C(NCC[C@@H]1CCOC1)c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1 534629408 ZULMOLCJYOWNFG-CQSZACIVSA-N 365.433 2.879 0 50 FFAA O=C(c1ccsc1)N1CCCN(Cc2ccc3c(c2)OCCO3)CC1 63994824 QUYMQJUQTPUWAX-UHFFFAOYSA-N 358.463 2.867 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccnc2ccccc12 299766988 GJAZOMFJGYXVOI-UHFFFAOYSA-N 352.438 2.645 0 50 FFAA Cc1[nH]nc(CCC(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)c1C 299801281 YODDOIRUSLWSOP-UHFFFAOYSA-N 373.482 2.645 0 50 FFAA O=C1CCCN1Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299780335 JLBZTIQTKJCMRS-BBWFWOEESA-N 352.438 2.885 0 50 FFAA Cc1ccccc1[C@]1(CC(=O)NCCc2nncn2C)CCOC(C)(C)C1 299769823 QWUJLMWBUOXQON-NRFANRHFSA-N 370.497 2.699 0 50 FFAA CCn1cc(C(=O)NCc2cncn2CC(C)C)c(=O)c2ccc(C)nc21 823583992 FOPXUZXUIRVSNA-UHFFFAOYSA-N 367.453 2.507 0 50 FFAA O=C(c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1)N1CCCC1 67877212 BLAWZLZTSNQFQW-MOPGFXCFSA-N 370.474 2.757 0 50 FFAA COc1ccnc(Nc2ccc(C(=O)N3CCC4(CC3)CC(O)C4)cc2)n1 1875318611 JCJYIKXJRXNYST-UHFFFAOYSA-N 368.437 2.606 0 50 FFAA CCc1ncoc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)CCc2cccs2)C1 1875315100 IOYNGUQEZKXFNW-OLZOCXBDSA-N 361.467 2.651 0 50 FFAA COc1ccc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c(F)c1 952962660 GREPWZLTBODPKO-BAUKFBFWSA-N 357.433 2.659 0 50 FFAA Cc1ccsc1CN(Cc1ccccn1)C(=O)[C@H](C)Cn1cncn1 952987313 WDUUGFNHBKCSIG-OAHLLOKOSA-N 355.467 2.908 0 50 FFAA Nc1nc2c(c(C(=O)N3CCC[C@H](C(=O)c4cccs4)C3)n1)CCCC2 952982827 RXGHSRLILPLGKE-LBPRGKRZSA-N 370.478 2.734 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)NCC(=O)Nc1ccc(F)cc1C 952963295 JPOSKRHTIPEEKH-UHFFFAOYSA-N 360.433 2.918 0 50 FFAA Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)c(Cl)c1 886039583 WOIJFUUUZOBUMO-KSSFIOAISA-N 357.841 2.993 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3ccc(C)c(O)c3)C[C@@H]2N(C)C)cc1 1565512587 ZJDYLTXZHQQOIV-MOPGFXCFSA-N 354.450 2.879 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(CCOCc3ccccc3)C2)N1Cc1cscn1 1565508614 ZMNWNSIISIJBHT-MJGOQNOKSA-N 371.506 2.783 0 50 FFAA C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 185702327 MSVWYEVBEWQJDV-NSHDSACASA-N 359.430 2.678 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cccnc1C(F)(F)F 188356773 XCTIQHSGMTUVHB-UHFFFAOYSA-N 364.371 2.890 0 50 FFAA C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 408023104 PJIGCOSHYWWPDD-ABAIWWIYSA-N 369.433 2.625 0 50 FFAA C[C@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1 190509772 XKBCIPIYDCWANR-SUMWQHHRSA-N 352.438 2.602 0 50 FFAA CN(C)C(=O)c1cncc(N(C)CC2(N3CCCCC3)CCCCC2)n1 1529125623 RVKHCBSYFCFJCM-UHFFFAOYSA-N 359.518 2.803 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704339376 JPFFUDKYPDOVKW-HZPDHXFCSA-N 359.875 2.664 0 50 FFAA O=C1NCCN1[C@@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 139051626 HABPQTHEKHABFS-OAHLLOKOSA-N 360.845 2.985 0 50 FFAA CC(C)n1cc(C(=O)N2CCCN(c3ncnc4ccccc34)CC2)cn1 1772819908 XGAXEYOAUHKJEF-UHFFFAOYSA-N 364.453 2.760 0 50 FFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]21 14994415 YNHUUBCVVJNECN-WDYCEAGBSA-N 356.466 2.703 0 50 FFAA O=C(N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl)c1cccs1 19316247 IIFFDZWFGUEOLB-KCJUWKMLSA-N 357.690 2.943 0 50 FFAA O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)NCc1ccccc1 169755531 ZYXJJHXTDZZSTL-UHFFFAOYSA-N 362.433 2.977 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1C 1857532678 CRKYGZZMDTYOMQ-YPMHNXCESA-N 358.442 2.725 0 50 FFAA Cc1c(C(=O)N(C)Cc2nc(O)c3sccc3n2)nc2ccccn12 1857727251 NWIZYYCIYYTHMK-UHFFFAOYSA-N 353.407 2.625 0 50 FFAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 114107148 SFADUUXRVVYLPR-UHFFFAOYSA-N 370.434 2.908 0 50 FFAA CCCn1ncc(C(=O)N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)c1C 248126731 LZIPDICVPPIKRP-QUCCMNQESA-N 354.498 2.894 0 50 FFAA c1csc(-c2noc([C@H]3COCCN3Cc3nc(C4CC4)no3)n2)c1 376001953 XSCYHLNDCZTCKE-LLVKDONJSA-N 359.411 2.632 0 50 FFAA CNC[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 159018880 XTYGLCMYRGWTNV-OAHLLOKOSA-N 350.890 2.846 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)N1CCO[C@H](c2cccs2)C1 161765363 QLPZNVGQHZCVHR-ZDUSSCGKSA-N 359.407 2.924 0 50 FFAA O=C(CNC1CC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704325140 JGNWSIGIVILZJF-QFIPXVFZSA-N 362.477 2.702 0 50 FFAA Cc1nnnn1-c1ccc(-c2nc([C@H]3CC3(Cl)Cl)no2)c(F)c1 826563659 ANDJRSSPWJYXNJ-SECBINFHSA-N 355.160 2.821 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 712600 CSUMDGMGMXNRDI-CQSZACIVSA-N 370.380 2.994 0 50 FFAA Cn1c(=O)cc(C(=O)N2CCO[C@](C)(C(F)(F)F)CC2)c2ccccc21 2325783050 WALXMPSWZFEKRP-KRWDZBQOSA-N 368.355 2.722 0 50 FFAA O=C(Nc1ccnn1CC1CCNCC1)c1cccc(-c2cc[nH]n2)c1 2325786573 YRJQOGQGVUKMKS-UHFFFAOYSA-N 350.426 2.525 0 50 FFAA O=C(c1cnn(-c2ccc(F)cc2)c1)N1CCO[C@H](C2CC(F)(F)C2)C1 2325791392 UZAZTBGZWOCJMR-INIZCTEOSA-N 365.355 2.898 0 50 FFAA C[C@H]1CN(C(=O)c2cc(-c3ccccn3)ns2)CCN1c1ccncc1 2325796361 LAINUCTWUCSOIC-AWEZNQCLSA-N 365.462 2.951 0 50 FFAA CO[C@H]1CN(C(=O)c2cnc(C3CCN(C)CC3)[nH]2)CCc2ccccc21 2325797023 SYZSDEAZDCROMV-IBGZPJMESA-N 368.481 2.605 0 50 FFAA CC(C)(C)c1ccc(Br)cc1C(=O)N1CC2(CCC(=O)N2)C1 2325806381 NVDBENBUUJMQJP-UHFFFAOYSA-N 365.271 2.851 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC34CC(C)(C)C4)C2)n[nH]1 2325842787 IMIBZUBKJYDDOY-KGLIPLIRSA-N 358.486 2.690 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCO[C@H]3c3ncc[nH]3)c2)o1 2325854261 VJYULIXZEJUUJG-HUUCEWRRSA-N 353.382 2.875 0 50 FFAA O=C(NCc1cccc(Cn2ccnc2)c1)[C@@H]1Cc2cc(F)ccc2O1 131329335 SUGZYXCFTHRNQX-IBGZPJMESA-N 351.381 2.690 0 50 FFAA COC(=O)c1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F 1009114 GIOMEWFTAGQTEM-UHFFFAOYSA-N 359.222 2.658 0 50 FFAA CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccc(C)cc1 1116961 PPRZRTZLVFPMSO-UHFFFAOYSA-N 374.462 2.847 0 50 FFAA CCOc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 1831688 NQYKNSXHUQCWOM-UHFFFAOYSA-N 351.406 2.864 0 50 FFAA biogenic CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)cs2)cc1 6680283 KWJJKALURQRGDQ-UHFFFAOYSA-N 354.453 2.649 0 50 FFAA CCOC(=O)[C@]1(COC)CCCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 225624263 KOEWGFQQEYTDRU-HXUWFJFHSA-N 365.445 2.922 0 50 FFAA Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C)(C)C2)c(C)c1 112682547 NFBSBWKHGPVLTL-UHFFFAOYSA-N 352.500 2.620 0 50 FFAA CC[C@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2C(N)=O)C1 101706364 YVRHSUGNLSZWEK-UQXKVLDMSA-N 372.490 2.897 0 50 FFAA CC(C)CC[C@]1(C2CCN(c3ncncc3C(C)C)CC2)NC(=O)NC1=O 67817154 FSLWXXZDYVXHOI-HXUWFJFHSA-N 373.501 2.831 0 50 FFAA Cc1ccccc1C[C@]1(CO)CCCN(c2nnnn2-c2ccccc2)C1 67921976 BIOGMRJPQANOGS-OAQYLSRUSA-N 363.465 2.792 0 50 FFAA CCN(CC)CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC 170623943 UVNUWRWQTGSGQP-UHFFFAOYSA-N 355.287 2.622 0 50 FFAA O=C(c1ccoc1)N1CCCN(C2CCN(Cc3ccco3)CC2)CC1 1506400120 UADHBFWEUAEJKI-UHFFFAOYSA-N 357.454 2.685 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNC/C=C/c2ccc(F)cc2)CC(=O)N1C 328617928 DFIJAHFTUOKMBF-DFUKUNQBSA-N 370.472 2.998 0 50 FFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3nncn3c2)CC1 172798676 AYVAEOSMAJUWIW-CQSZACIVSA-N 369.856 2.902 0 50 FFAA CCN(C(=O)c1cccc(N)c1)c1c(C)n(C)n(-c2ccccc2)c1=O 1180428 KAGVBQLLHQIJRM-UHFFFAOYSA-N 350.422 2.733 0 50 FFAA CCc1ccc2oc(=O)cc(CN3CCN(C(=O)c4ccco4)CC3)c2c1 12413482 LFHNVTKRYWORIP-UHFFFAOYSA-N 366.417 2.906 0 50 FFAA biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1 2561780 MSXGUKFGZHIMJE-UHFFFAOYSA-N 357.435 2.647 0 50 FFAA CSc1ncc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cn1 12055173 RVOHGBDAIOBTCY-AWEZNQCLSA-N 374.485 2.980 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN1CCCCCC1 12074550 FCNRKKZFJCODSL-HNNXBMFYSA-N 353.470 2.900 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCCN1CCc2ccccc21 36076218 FZDIJIFWGOJNDL-UHFFFAOYSA-N 360.479 2.653 0 50 FFAA O=C1NCCN(S(=O)(=O)c2cccc3ccccc23)[C@H]1c1ccccc1 437206373 KRRPSQIOXPZFGN-IBGZPJMESA-N 366.442 2.702 0 50 FFAA CC[C@@H]1CN(C(=O)Cc2ccccc2O)CCC(=O)N1Cc1ccccc1 71551829 HOKIWWIQUXLOEM-LJQANCHMSA-N 366.461 2.974 0 50 FFAA CC[C@@H](Sc1nc(N)n[nH]1)C(=O)N(Cc1ccccc1)CC(F)F 253404814 SLMDQJOQIGOGRG-LLVKDONJSA-N 355.414 2.552 0 50 FFAA COCCOCCOc1ccc(Cn2c(CO)nc3ccccc32)cc1 253416840 AMTVTSQFQQXNRV-UHFFFAOYSA-N 356.422 2.619 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 77516087 NTHYEKAZCVOZPP-CYBMUJFWSA-N 363.364 2.757 0 50 FFAA O=C(c1ccc2nonc2c1)N1CCCN(C2Cc3ccccc3C2)CC1 77457564 FQMVBXGZYQSQQJ-UHFFFAOYSA-N 362.433 2.538 0 50 FFAA Cc1cc(C(=O)N2CCNC[C@H]2c2cccc(F)c2)c2c(C)noc2n1 261716485 DXYLNCMHCIWMFR-INIZCTEOSA-N 354.385 2.765 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cc3ccccc3n(C)c2=O)n1 215880421 VSYCKDXJQYEISM-GFCCVEGCSA-N 354.410 2.611 0 50 FFAA O=C(O)C[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccccc1 238030022 ILDSFWFXYUKNNK-AWEZNQCLSA-N 374.828 2.676 0 50 FFAA C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 239667362 BPSXFOBKVNVVQB-TYNCELHUSA-N 361.471 2.543 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 288103603 XAUGQOHHDVLKTP-JOCLIGHLSA-N 352.434 2.880 0 50 FFAA CS(=O)(=O)[C@H]1CCC[C@H](NCCc2nc(-c3ccccn3)cs2)C1 242338957 ZDUJXNMRJBMSJF-KBPBESRZSA-N 365.524 2.693 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(C)c(Cl)c(C)c3)C(=O)[C@H]2C1 286219526 XHHDYWJPBOWNOS-DGCLKSJQSA-N 350.802 2.677 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ccncc1Cl 220753238 QGGRGVNUSFECCS-WTNGLUPJSA-N 358.825 2.912 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)COc2cc(C)ccc2C)n1 289095108 LQHOOJFSEPXIIF-HNNXBMFYSA-N 358.442 2.701 0 50 FFAA CC(C)(C)CN1CCC[C@@]2(CCN(CCC(=O)Nc3cccnc3)C2)C1=O 426380138 RCTNJISSQNMQES-NRFANRHFSA-N 372.513 2.771 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(-c2ccc(C(N)=O)cn2)cc1 426707451 QCUGFWKSBRKXMU-GOSISDBHSA-N 367.449 2.879 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)C1 426531020 SZIFUWBZUXZJGA-QGZVFWFLSA-N 374.444 2.895 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)CSc3ccccn3)CC2=O)cc1 82160626 VHBOAXCAHXGQGL-OAHLLOKOSA-N 355.463 2.746 0 50 FFAA COCCN1CC[C@@H](CNC(=O)N(Cc2ccncc2)C2CCCCC2)C1 426544387 NFPLTQWHYOXMAP-IBGZPJMESA-N 374.529 2.894 0 50 FFAA COc1ccc(C2(CNC(=O)c3[nH]nc4c3CN(C)CC4)CCCC2)cc1 97655556 WOLSVOKJAXROMF-UHFFFAOYSA-N 368.481 2.648 0 50 FFAA Cc1ccc2[nH]c(=O)cc(C(=O)N(CCO)Cc3ccccc3C)c2c1 97785385 BAGQNWBESGTOHW-UHFFFAOYSA-N 350.418 2.780 0 50 FFAA Cc1ncc2c(c1-c1noc(CCc3cn4ccccc4n3)n1)CCNC2 97463734 YJEREVQOWFCUER-UHFFFAOYSA-N 360.421 2.519 0 50 FFAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCc1csc(N)n1)CC2 97532766 KCTHGWURIMYHRR-LLVKDONJSA-N 361.467 2.821 0 50 FFAA COc1cc(OC)nc(-c2ccc(C(=O)NCC3(O)CCCCC3)cc2)n1 426684484 NBFLZOMYGXFAMS-UHFFFAOYSA-N 371.437 2.586 0 50 FFAA CCn1nccc1C(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 91908448 INNPYCLQPFILBN-UHFFFAOYSA-N 364.453 2.563 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)CN1CC2(CCCC2)CC1=O 95510540 NJNXBJURIGYOMS-UHFFFAOYSA-N 364.511 2.824 0 50 FFAA CN(C(=O)CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2)c1ccccc1 91535447 LMAUVRBBWAYCSB-QFBILLFUSA-N 370.522 2.702 0 50 FFAA Cc1ccc2nc(C(=O)NC3CCN(C(=O)C4CCCC4)CC3)cn2c1 91620118 NTTZBDRADPOHIS-UHFFFAOYSA-N 354.454 2.554 0 50 FFAA O=C(CN1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1)N1CCCCCC1 91636745 UADRXGUCBQGDTE-NRFANRHFSA-N 361.530 2.504 0 50 FFAA CCCNc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cn1 91574328 DGRGDZUZTPQZKB-AZUAARDMSA-N 366.513 2.790 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(C/C=C/c1ccc(OC)cc1)CCN2C 95384326 YAJYKXSAPKEVBN-IOUFHMPJSA-N 371.525 2.727 0 50 FFAA COc1cc(OC)c(CN2CCc3[nH]nc(C4CC4)c3C2)c(C(=O)O)c1 97600936 CIMBSBMMKDADSQ-UHFFFAOYSA-N 357.410 2.561 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCOc3ccc(CO)cc3C2)N(C)C)cc1 91351102 KDUOXFUXGULBBX-HXUWFJFHSA-N 354.450 2.511 0 50 FFAA CCc1cc(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)cc(=O)[nH]1 97117740 WEAQZLSYMRFQSR-UHFFFAOYSA-N 363.417 2.881 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C(=O)O 91745941 DPWHHKIHNUNRAM-DLBZAZTESA-N 372.421 2.559 0 50 FFAA C[C@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1F)CC2 91707700 NIGLWNYUEGGPCN-ZDUSSCGKSA-N 370.415 2.689 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2cccs2)n(C)n1 95363229 BECDFAUBWPYBLY-CQSZACIVSA-N 360.483 2.622 0 50 FFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)[C@H]1CC[C@@H](O)CC1)CC2 248010408 DOWFQUQUYFFMOL-OTWHNJEPSA-N 370.493 2.545 0 50 FFAA O=C(CCN1CCC([C@@H](O)c2cccs2)CC1)Nc1nccs1 244633243 FZLYDSORMYILSE-OAHLLOKOSA-N 351.497 2.979 0 50 FFAA C[C@H](C1CCN(C(=O)CC2Cc3ccccc3C2)CC1)N1CCOCC1 244795028 QYGBCHKPOJLZFB-QGZVFWFLSA-N 356.510 2.751 0 50 FFAA Cc1cc(N2CCCN(CC(F)(F)F)CC2)nc(-c2cccnc2)n1 299286831 YQOORWPCAHWYGM-UHFFFAOYSA-N 351.376 2.921 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCCC[C@H]2c2ncon2)CN1Cc1ccccc1 184177539 CQZQVHTUALKAIW-SJORKVTESA-N 368.437 2.562 0 50 FFAA CO[C@@]12[C@H]3[C@H]4[C@H]5[C@H]6[C@@H]7[C@H]4[C@@H]4[C@@H]3[C@@H]3[C@@H]8[C@@H]9[C@H]([C@H]([C@H]6[C@H]9[C@]7(Br)[C@@H]48)[C@@H]51)[C@H]32 257358365 TULRIWOOIXMAQT-CPSDDBLDSA-N 369.302 2.747 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccc3c(C)c(C)[nH]c23)C1 252535852 HAPIYHCYOKYILT-HDJSIYSDSA-N 367.453 2.564 0 50 FFAA CCc1cc(-c2ccc(C(=O)N[C@@H](C)c3ncnn3C)cc2)nc(C)n1 534649808 APVJOTOGULXUKX-LBPRGKRZSA-N 350.426 2.634 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)N3CCS(=O)(=O)CC3)CCCC2)c1 534668908 FBHJJAXORFJKLY-UHFFFAOYSA-N 364.511 2.555 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 1940193705 MLDDNIIFLJOVEN-UHFFFAOYSA-N 360.845 2.921 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)c2c3c(nn2C)CCCC3)CC1 299788166 VTWMKKUGPSNMDY-UHFFFAOYSA-N 352.482 2.960 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)c1 824583684 VHKIKFYYFNEIMG-HNNXBMFYSA-N 374.462 2.849 0 50 FFAA O=C1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)C2(CCCCC2)O1 670434044 VQYSXDADWKBFMN-MRXNPFEDSA-N 353.422 2.755 0 50 FFAA Cc1nc2ccc(S(=O)(=O)NCCCc3csc(N)n3)cc2s1 670471862 UTBLYIQYGAFKDJ-UHFFFAOYSA-N 368.509 2.555 0 50 FFAA O=C(O)[C@@H](c1ccc(Cl)c(F)c1)N1CCC(O[C@@H]2CCOC2)CC1 1875304381 ITFZRMNEXXAKAU-CZUORRHYSA-N 357.809 2.875 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1 1875386574 UKSFMDGIJZBVBO-KRWDZBQOSA-N 367.380 2.669 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CC(C)(C)Oc3ccccc32)C1 1875379400 TVKGIUZCBAQZAN-HZPDHXFCSA-N 356.466 2.872 0 50 FFAA O=C(O)CC[C@@H]1CN(Cc2ccc(Cl)cc2)CC[C@@H]1N1CCOCC1 1076040814 ANYLOIRMHMQUFF-AEFFLSMTSA-N 366.889 2.728 0 50 FFAA OC[C@@H]1CCCN(CCNCc2cnn(-c3ccc4ccccc4c3)c2)C1 952970127 BQEYUCXRHYXJRT-GOSISDBHSA-N 364.493 2.819 0 50 FFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCC1=CCCCCC1)C2=O 170596742 PHYRNXPCLVNCIB-QRWLVFNGSA-N 361.486 2.884 0 50 FFAA CNCC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 170676913 LIOJYZPMJBDUPU-UHFFFAOYSA-N 368.359 2.827 0 50 FFAA CC[C@]1(C)CN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CCO1 187935994 OKWOIFOTUZZBCR-HXUWFJFHSA-N 362.470 2.946 0 50 FFAA CCN1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1=O 191542064 HTVBXVQKSMPHTO-QGZVFWFLSA-N 366.889 2.952 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)cn2)c1 1529145877 OYWRZJVSZWTCSB-NHCUHLMSSA-N 364.493 2.747 0 50 FFAA COc1ccc(Cl)cc1CN(C)c1nccc(N2CCC[C@@H](O)C2)n1 1529101832 NQIPYSFFSGOPNR-OAHLLOKOSA-N 362.861 2.736 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3C[C@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cc2n1 1704299781 KDYUKQASQKMIES-UZLBHIALSA-N 364.449 2.559 0 50 FFAA c1cn(-c2ccc3c(c2)COC3)c(-c2cnc(NC[C@@H]3CCCO3)nc2)n1 1772809633 ZDYMAZHMFQRNLS-SFHVURJKSA-N 363.421 2.950 0 50 FFAA CCCCOc1ccccc1C(=O)N1C[C@@H](C(=O)O)C2(CCOCC2)C1 1775979556 KDXOXHHIAPQJKE-INIZCTEOSA-N 361.438 2.819 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O 11874112 RREBYIYLRWELFD-INIZCTEOSA-N 356.875 2.503 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCOC 11878385 LUYBGXYPSLDHME-IBGZPJMESA-N 362.514 2.835 0 50 FFAA CCCC[C@H]1CN(CCC(=O)NCC(C)(C)CO)Cc2ccccc2O1 12191720 LVHOOQNOJCRSMG-SFHVURJKSA-N 362.514 2.965 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N1CCC(Oc2cccnc2)CC1 12318411 YAQDDYWUMIXSCF-UHFFFAOYSA-N 355.442 2.862 0 50 FFAA O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(F)c2)CC1 12574148 AYNYIVDMBIKSNF-CQSZACIVSA-N 360.429 2.597 0 50 FFAA COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 13985942 MYQAUKPBNJWPIE-UHFFFAOYSA-N 366.421 2.828 0 50 FFAA in-vitro CCOC(=O)N1CCN(Cc2cc(Br)ccc2OC)CC1 19634520 VOVNDISXJONPKD-UHFFFAOYSA-N 357.248 2.732 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)CCC4CCCC4)nnc3c2)n1 169776137 HXJYNSQYEVTJPN-UHFFFAOYSA-N 354.414 2.674 0 50 FFAA CC(=O)NCCCN1C[C@H]2CCC[C@]2(c2nc(-c3ccccc3)no2)C1 1857532952 WIRIGPNUBJQJCY-XLIONFOSSA-N 354.454 2.616 0 50 FFAA C[C@@H](C(=O)NC1CCCC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857699209 RRXFQDOVTUFLQL-HNNXBMFYSA-N 352.482 2.925 0 50 FFAA Cn1nc(C2CCCCC2)cc1NC(=O)C[C@@H]1CCCS(=O)(=O)C1 328939287 RYZBZOAKRODNIH-ZDUSSCGKSA-N 353.488 2.621 0 50 FFAA C[C@H]1C[C@H](CO)CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 331968955 RLYPZUGIDVROPM-QWRGUYRKSA-N 369.252 2.665 0 50 FFAA CNC[C@@H]1CCCN1C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 237081591 DLVBPQOJFXHDCQ-FQEVSTJZSA-N 368.525 3.000 0 50 FFAA Cc1cc(NC(=O)c2ccc(N3CCCC3)nn2)n(Cc2ccccc2)n1 263771036 LWQOWHZFOJPODD-UHFFFAOYSA-N 362.437 2.882 0 50 FFAA COc1ccc(OC)c(CCNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1 263932129 CMCIEXHMWBPAND-HNNXBMFYSA-N 358.442 2.559 0 50 FFAA Cc1cccc(N2CCC(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)CC2)c1 1704325765 NCBGSPVHFKNJHA-FGZHOGPDSA-N 357.542 2.742 0 50 FFAA CN(C)C(=O)CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704302092 BNAUAGXQBXBBAV-NRFANRHFSA-N 350.466 2.512 0 50 FFAA COC(=O)c1nc(N2CCN(c3cnccc3C)CC2)c2sccc2n1 2325802432 GYNWXKXMRQXKSU-UHFFFAOYSA-N 369.450 2.508 0 50 FFAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2o1 1101559 KQQPOEKUMAYMSN-UHFFFAOYSA-N 352.375 2.729 0 50 FFAA O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1109140 UEQGXIRZCSKPFC-UHFFFAOYSA-N 353.359 2.785 0 50 FFAA Cc1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1C 1133735 WHMBZAGPTXTPDL-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCOc1ccc(NC(=S)NC(=O)C[C@@H]2CC(C)(C)OC2=O)cc1 1134880 RPPDQUPRXXQYOO-LLVKDONJSA-N 350.440 2.630 0 50 FFAA Cc1ccc(C)c(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)c1 1173198 LFXYFCMHZFSYST-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OC)cc1 1221356 UAONXTVGZKXTPJ-XHDPSFHLSA-N 360.435 2.907 0 50 FFAA Cc1cc(C)c(OCCCON2C(=O)CCC2=O)c(Br)c1 2868260 NZBXHALXPBQXKU-UHFFFAOYSA-N 356.216 2.915 0 50 FFAA C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 4097885 AALLCALQGXXWNA-QJNFORGASA-N 358.390 2.533 0 50 FFAA biogenic,in-vitro COC(=O)c1c(NC(=O)CSc2nccc(C)n2)sc(C)c1C 6741830 ZMLYUELABGITMR-UHFFFAOYSA-N 351.453 2.981 0 50 FFAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cnc2sccn2c1=O 54033924 QEVFSEODXZGTNR-CQSZACIVSA-N 371.418 2.566 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)NCCCc2ccccc2Cl)cc1 107311624 IHVXJGZIWAHOLG-UHFFFAOYSA-N 366.870 2.611 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1nnc(C(C)(C)C)s1 63844707 WQJFXUKSIVOTNH-NSHDSACASA-N 353.492 2.700 0 50 FFAA CCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1Cl 20177146 JVFKMGVGMWQTDV-UHFFFAOYSA-N 368.886 2.718 0 50 FFAA CN1CCC2(CCCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)CC1 67688503 RVXVICKEBVPLAD-UHFFFAOYSA-N 353.466 2.866 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)NCc3cccnc3-n3cncn3)c2c1 76379865 KGTNTOVXRHTUCO-UHFFFAOYSA-N 358.405 2.757 0 50 FFAA O=c1cc([C@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)nc[nH]1 67790497 FAKCLADJIQZWNG-AWEZNQCLSA-N 353.401 2.679 0 50 FFAA O=C(O)C1(Oc2ccc3c(c2)CCC3)CCN(c2ncc(F)cn2)CC1 72407208 PYPMOTQARZUKLK-UHFFFAOYSA-N 357.385 2.607 0 50 FFAA COc1ccc(-c2cnnc(N3CCC[C@H](CCCO)C3)n2)c(OC)c1 12210192 DSSWDMXUKSDFEH-CQSZACIVSA-N 358.442 2.545 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 676268 CFROQGOZIDAUFI-CYBMUJFWSA-N 371.389 2.974 0 50 FFAA biogenic O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CCCC[C@H]1c1nccs1 216442328 SHDYAFKDECODJG-HNNXBMFYSA-N 354.435 2.990 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 6850069 LRBBQZYYOODMPI-VIFPVBQESA-N 351.255 2.604 0 50 FFAA O=C(CN1CCN(Cc2c[nH]nc2C2CCCCC2)CC1)N1CCCCC1 72456815 ZBKVYARIHZTUPI-UHFFFAOYSA-N 373.545 2.588 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)c3c(F)cccc3Cl)ncn2)n1 72441315 OUZGBEIEYKBLGZ-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA CCO[C@H]1CN(C(=O)c2cccnc2SCCc2ccccc2)C[C@@H]1O 219905765 FEHCSYIPRQCNOV-ROUUACIJSA-N 372.490 2.638 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)/C=C/c1cncc(O)c1 368300431 YIVKQNGDQIYRLX-YBJDMEARSA-N 353.426 2.653 0 50 FFAA Cc1nc(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)nc2c1CCC2 219838611 CTQFWRZHGWXRCH-FQEVSTJZSA-N 364.493 2.597 0 50 FFAA CCCn1ncc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1C 39371933 KCIDLKYJMMFOGW-JOCHJYFZSA-N 370.541 2.979 0 50 FFAA O=C(CN1CCc2ccccc2C1)N[C@@H](Cn1ccnc1)c1ccccc1 219906392 IUXMPPACMNBYLO-NRFANRHFSA-N 360.461 2.799 0 50 FFAA Cc1cc(C)nc(CCNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)n1 15072779 CHCGFXMNFSUAJS-SFHVURJKSA-N 372.513 2.571 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2C1 77524133 YPKAVLDHMZTUDR-AWEZNQCLSA-N 358.463 2.631 0 50 FFAA O=C(NCC(F)(F)c1ccccc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 332867044 TWIWDLGHOICXSY-GJZGRUSLSA-N 372.437 2.530 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(N3CCOCC3)nc1)O2 375672984 ORWYYMOIEVHOMG-GOSISDBHSA-N 353.422 2.559 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCOC[C@H]2c2ccc(F)cc2)c(O)n1 457538924 XWQOIOUWSQQFQQ-KRWDZBQOSA-N 359.401 2.826 0 50 FFAA Cc1nc2c(c(N3CCC[C@H](COc4cccc(F)c4)C3)n1)CCNCC2 72448302 CRUNGZHFCHKLIL-INIZCTEOSA-N 370.472 2.908 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CCO1 238200684 WWKXOUDHVNMJCA-LLVKDONJSA-N 372.402 2.872 0 50 FFAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Br)ccc1F 241231075 KRSUJGAESYVTID-FZZIBODNSA-N 369.234 2.847 0 50 FFAA Cc1noc([C@H]2CN(C(=O)NCc3oc4ccccc4c3C)CCN2C)n1 286943802 QZXDVKMLYZLPMW-OAHLLOKOSA-N 369.425 2.631 0 50 FFAA Cc1cc(C)n(CCCNC(=O)Nc2cccc(N3CCOC3=O)c2)n1 193060459 JZMPYDFXMDXQTE-UHFFFAOYSA-N 357.414 2.668 0 50 FFAA O=C(NC[C@@H](O)COCc1ccccc1)c1cc(-c2ccccc2)on1 82121302 SPCGJBMAERNOCZ-QGZVFWFLSA-N 352.390 2.649 0 50 FFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C12CCC2 160541687 OROIFRRWOUFPOM-CABCVRRESA-N 373.478 2.632 0 50 FFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(CC(C)C)CC2 19220978 RGKRDAHMFXYPHG-UHFFFAOYSA-N 370.497 2.704 0 50 FFAA O=C(COc1ccc(F)c(Cl)c1)N[C@@H]1CCOC[C@H]1OCC1CCC1 222773205 MYEOQCFTJICYCW-IAGOWNOFSA-N 371.836 2.948 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1c[nH]c(=O)c2ccccc12 220450614 SOWIHKMREJISPA-AITUJVMLSA-N 352.434 2.852 0 50 FFAA O=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1CCN1CCOCC1 82121914 GPLBXLBDGJJOSP-LJQANCHMSA-N 353.466 2.952 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 223768659 GGPKGDWVZDRBSD-NHCUHLMSSA-N 366.461 2.677 0 50 FFAA Cc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1c(C)noc1C 220493300 RBIARJHRHQSXLJ-RTBURBONSA-N 358.438 2.633 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 426618098 JCSTVPHMWIFTKG-CYBMUJFWSA-N 358.471 2.955 0 50 FFAA Cc1cc(C)nc(CCNC(=O)N(C)CCCOc2ccccc2F)n1 426477536 IHUYEFJUEGQKJH-UHFFFAOYSA-N 360.433 2.886 0 50 FFAA CCN1CC2(CCN(c3ccnc(N)n3)CC2)C[C@@H](c2ccccc2)C1=O 91769629 OJMDHVIGYCBVCT-KRWDZBQOSA-N 365.481 2.681 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CCOC[C@H]1CO 97785125 ZAWUQYGMTQSIAR-LJQANCHMSA-N 370.449 2.923 0 50 FFAA CN(CCc1nc2ccccc2[nH]1)C(=O)c1cc(F)ccc1OCCCN 426513809 ZFRVXKQSXYRIET-UHFFFAOYSA-N 370.428 2.744 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 95521768 CMACOLNJKMMEMC-HNNXBMFYSA-N 365.412 2.880 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCc2ccc(C(=O)O)s2)cn1 95528728 LBXNZUAOBLMTRE-UHFFFAOYSA-N 357.391 2.571 0 50 FFAA COc1ccc2cc(C(=O)[C@H]3CCCN(CCNC(C)=O)C3)ccc2c1 91390662 ABSIREVAALADHI-IBGZPJMESA-N 354.450 2.879 0 50 FFAA Cc1cccc([C@@H](NC(=O)C2CCN(C3CCN(C)CC3)CC2)C2CC2)n1 97076202 ICTFPMHUJRWTQW-NRFANRHFSA-N 370.541 2.764 0 50 FFAA O=C1C[C@@H](C(=O)NCCCN2CCCc3ccccc32)C2(CCCC2)O1 97243847 VIAJTILSTBLJEB-KRWDZBQOSA-N 356.466 2.821 0 50 FFAA COc1cccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C 95506356 WWIXWZHSZVFOIO-KRWDZBQOSA-N 370.497 2.782 0 50 FFAA COc1cccc([C@H]2CCN(Cc3cccc(OCC(N)=O)c3)C2)c1OC 97698759 LYRSJRNXFJPEQI-INIZCTEOSA-N 370.449 2.557 0 50 FFAA c1cncc(Cn2ccnc2[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1 91829107 XEZQKGGIQNFXKL-INIZCTEOSA-N 359.437 2.982 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1cccc(-c3cn[nH]c3)c1)CC2 97694947 VAFYTGAPLQAEGO-GOSISDBHSA-N 355.438 2.877 0 50 FFAA CCOc1ccc(-c2ccc(CN3CCN([C@@H]4CCNC4)CC3)o2)cc1 97099031 MAXSWCMGMWPQGY-GOSISDBHSA-N 355.482 2.825 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2n[nH]c3c2CCCC3)n1 96138278 SZERICWWFQXAHI-JTQLQIEISA-N 369.391 2.878 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(Cc1ccccc1F)C2)NC1CC1 91680623 ONSTXKPXNNSSHX-UHFFFAOYSA-N 356.445 2.639 0 50 FFAA Cn1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)c2ccccc21 97217484 QJBDCYMYIWZIRQ-IBGZPJMESA-N 366.392 2.891 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCc3cnc(C)cc3C)CC2)c1 244724195 MPNWRRNXNHRDCC-UHFFFAOYSA-N 366.509 2.835 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cc2)n1 299742668 IERWBAYNEFRYMF-XHSDSOJGSA-N 355.394 2.903 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2[C@@H]([Si](C)(C)C)[C@H]1[C@]13O[C@]21[C@H]1CC[C@H]3C1 257356019 FGCDLBXCKFNMHJ-JSWOISMFSA-N 362.498 2.535 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1 534673042 BLRYWOUEPPKNLX-CQSZACIVSA-N 364.453 2.817 0 50 FFAA CC(C)C[C@H](C(=O)N1CCn2c(nnc2C(F)(F)F)C1)n1cccc1 263588015 NZOSFISJYCEBRP-GFCCVEGCSA-N 355.364 2.728 0 50 FFAA Nc1nc(CCCNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)cs1 299778466 PAPKQNLYIFKAKW-KSZLIROESA-N 370.522 3.000 0 50 FFAA O=C(Nc1cc(F)c(F)c(F)c1)NC1CCN(c2cnccn2)CC1 299774442 HGCAAQXMRJJEAS-UHFFFAOYSA-N 351.332 2.684 0 50 FFAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC(N2CCOCC2)CC1 299787861 YFYFNUAWKIGXJE-UHFFFAOYSA-N 366.461 2.996 0 50 FFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1C1=NN(C)C(=O)CC1 822888773 JJTJBNOWLCJAHE-UHFFFAOYSA-N 355.442 2.634 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 268943887 NOZSCKXCFJBBJB-CVEARBPZSA-N 353.374 2.576 0 50 FFAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@H]1CCNc2ccccc21 1875292932 WZUCQTXYGLNQPT-MJGOQNOKSA-N 364.449 2.816 0 50 FFAA COc1ccccc1C1(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875394258 AUNZFEPMXNOFBN-QWHCGFSZSA-N 355.438 2.902 0 50 FFAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H](N)C2(C(F)(F)F)CCC2)n1 1875334974 NHXBRGGEYHVQRM-SECBINFHSA-N 354.336 2.549 0 50 FFAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)Cn2cccnc2=O)C1 952872113 KBPAPNMVDILWGR-ZDUSSCGKSA-N 360.845 2.772 0 50 FFAA CC(C)c1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)nc(N)n1 952977481 IKGIDRHUVVAGBV-CQSZACIVSA-N 371.460 2.573 0 50 FFAA O=C(c1nnc(O)c2ccccc12)N1CCC(OCc2ccccn2)CC1 952968864 QIIXQRDQSZKZPD-UHFFFAOYSA-N 364.405 2.552 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)c2ncsc2-c2ccccc2)CC1 277492382 AARDEYVMLOHKDY-UHFFFAOYSA-N 364.492 2.849 0 50 FFAA COc1ccc(CNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(F)(F)F)c1 169975534 XSUWKOVBACYWNS-MISXLKTNSA-N 369.339 2.853 0 50 FFAA COC(=O)[C@H](NCc1nc(-c2ccco2)oc1C)c1ccc(OC)c(O)c1 170598092 CWZNVXWHKHFBGH-QGZVFWFLSA-N 372.377 2.961 0 50 FFAA CC1(C)CN(CCNC(=O)N[C@H]2CCc3c(Cl)cccc32)CCO1 171179141 LZWXRVJJYFHNRK-INIZCTEOSA-N 351.878 2.737 0 50 FFAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 186839065 AGQHWAMCOPHBKQ-MRXNPFEDSA-N 361.445 2.992 0 50 FFAA CCc1ccc([C@H]2CN(C(=O)NCC3([S@](C)=O)CCC3)CCO2)cc1 281634844 VKRIEVISQOBELV-NSYGIPOTSA-N 364.511 2.633 0 50 FFAA COC(=O)N1CCC([C@@H](C)NC(=O)c2ccccc2-c2nnc(C)o2)CC1 189212554 HWRSANSZELSTPJ-GFCCVEGCSA-N 372.425 2.642 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)N3CCc4ccccc43)CC2)c1 192494225 IQDURRCQSPLWAO-UHFFFAOYSA-N 365.433 2.636 0 50 FFAA Cc1ccc(C)c([C@H](C(=O)O)N2CCCN(C(=O)c3ccoc3)CC2)c1 1506419187 WEDGVDNCPDZPNW-GOSISDBHSA-N 356.422 2.870 0 50 FFAA Cc1cc([C@@H](C(=O)O)N2CCCN(C(=O)c3ccoc3)CC2)ccc1F 1506400490 VOTJOAIRYBJGLA-KRWDZBQOSA-N 360.385 2.701 0 50 FFAA O=C(c1cccnc1N1CCC([C@H](O)c2ccccn2)CC1)N1CCCC1 1529161621 NCRUFLPEUJGNIO-IBGZPJMESA-N 366.465 2.663 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3C[C@@H](O)[C@H](Cc4ccccn4)C3)c2)n1 1529106823 SDWGXPFQVRANSR-DENIHFKCSA-N 362.477 2.920 0 50 FFAA Cn1c(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc2ccccc21 11938409 JEDPSBYFSXVNPZ-KRWDZBQOSA-N 365.408 2.848 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 11946498 CLTKWEBNRRFYME-ZDUSSCGKSA-N 352.381 2.588 0 50 FFAA CCCN(CC1CC1)C(=O)c1cn(C2CCCCC2)cc(C(=O)NC)c1=O 11976279 DADQSSWIUGWRDC-UHFFFAOYSA-N 373.497 2.975 0 50 FFAA Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nccs2)c(C)c1 12274371 RFKXIODOVZKDOX-LLVKDONJSA-N 360.468 2.855 0 50 FFAA O=C(CCc1cnccn1)N1CCC[C@@](CO)(CCc2ccccc2)C1 12386932 MPPGWANEXDVLEE-OAQYLSRUSA-N 353.466 2.643 0 50 FFAA O=C(NCc1ccccn1)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 12432605 SKNGRPHVXUWHCJ-OAHLLOKOSA-N 357.841 2.790 0 50 FFAA C[C@@H](C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1)N1CCCC1=O 12445801 LKNOBENEISRRLW-LBPRGKRZSA-N 372.856 2.626 0 50 FFAA O=C(CCC(F)(F)F)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 12718254 VOVRXWLVPFBTCS-CQSZACIVSA-N 356.392 2.884 0 50 FFAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 12747072 RLFKSBHXPSJFQS-INIZCTEOSA-N 372.465 2.728 0 50 FFAA Cc1ccccc1C1=N/C(=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)O1 2823165 LBTBMRJKXHUWSC-LFIBNONCSA-N 357.387 2.678 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCCc1cn[nH]c1)CC2 1857671595 KGCVLNAAHOMRAJ-UHFFFAOYSA-N 363.465 2.760 0 50 FFAA C[C@H](c1ccc(-c2nccn2-c2cnn(CCCC(N)=O)c2)cc1)N(C)C 1857682469 KXXWXLRXBQGNPX-OAHLLOKOSA-N 366.469 2.624 0 50 FFAA CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCc1ccccc1 112267347 SMQMZFTYDDMHDU-LJQANCHMSA-N 370.518 2.826 0 50 FFAA Cc1noc([C@H]2CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)n1 333691054 MOBXCCKIZYTPHF-INIZCTEOSA-N 355.442 2.639 0 50 FFAA COCCC1(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CCC1 132446893 OGXDQFDGFCZCHY-QGZVFWFLSA-N 360.454 2.627 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3cccn3C)n[nH]1)C2 248152309 UMPLPFVAVJVOLP-IRXDYDNUSA-N 367.497 2.918 0 50 FFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CC(=O)O)C1CCOCC1 486002992 HOAAYQCVOXMLCG-GFCCVEGCSA-N 355.818 2.508 0 50 FFAA C=CC(=O)N(CC)CC(=O)N(C)[C@@H](CO)c1cccc(Cl)c1Cl 912461198 GTXHZVIURKLLQT-ZDUSSCGKSA-N 359.253 2.520 0 50 FFAA OC[C@@]1(NCc2cccc3nc(O)oc23)CCCN(Cc2ccccc2)C1 921749456 KDFOZPHRQUDFHY-OAQYLSRUSA-N 367.449 2.650 0 50 FFAA CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 858212 IIRQJCNBRBXAQR-UHFFFAOYSA-N 366.266 2.957 0 50 FFAA C[C@H]1CCCN(S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)[C@@H]1C 6667986 UNIPWKATAROMKT-VHSXEESVSA-N 358.847 2.594 0 50 FFAA CSc1nc(=NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)[nH]s1 2100547907 RPXIGCAQBVRWCA-VIFPVBQESA-N 370.459 2.823 0 50 FFAA COc1cccc(-c2cccc(C(=O)N3CCC(N4CC(O)C4)CC3)c2)c1 2100554716 ASOZLWHJNJXXNZ-UHFFFAOYSA-N 366.461 2.643 0 50 FFAA COc1ccc(CC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@H]32)c(Cl)c1 2325739319 LISAIQMKOCGMQC-WQVCFCJDSA-N 350.846 2.536 0 50 FFAA FC(F)c1nc2n(c1-c1nc(-n3nnc4ccccc43)no1)CCCC2 2325762014 YLGKGPRFIWRUSJ-UHFFFAOYSA-N 357.324 2.941 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@]34CCCC[C@@H]3C4)[C@@H]2C)cn1 2325828796 RGOTZUCAIHRJFF-WVSUBDOOSA-N 358.486 2.593 0 50 FFAA Cc1ncc(Br)cc1C(=O)N[C@@H](CN)c1ccccc1F 2325868983 UBVBGDHJLAMEMQ-AWEZNQCLSA-N 352.207 2.721 0 50 FFAA CN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21 684644 DUBHPFLCOUDGHO-OAHLLOKOSA-N 366.236 2.948 0 50 FFAA CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)sc2c1CCCC2 1061039 XRBCQOCRBSCCBF-UHFFFAOYSA-N 355.485 2.772 0 50 FFAA CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3)CC2)n1 1125769 YYZQKFGNSIHDOH-UHFFFAOYSA-N 363.259 2.628 0 50 FFAA Cc1ccc(C)c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1 1146803 BZOOEWGUPMWMFL-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA COCCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2058134 VDSOIWBAYNGJMO-UHFFFAOYSA-N 364.327 2.791 0 50 FFAA c1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1 2467138 KAJJCNXEHBEAHW-UHFFFAOYSA-N 356.451 2.797 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467681 PQSZLRGCCQTTIW-GFCCVEGCSA-N 368.455 2.927 0 50 FFAA O=C(c1ncc[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356140405 HTTOOYIMLNPGNX-AOIWGVFYSA-N 374.444 2.615 0 50 FFAA COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c1 2865771 UQYMSJBNHIOZNG-UHFFFAOYSA-N 370.434 2.869 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@H]21 2356165970 RTNBVQMTALQFTF-CDXJDZJCSA-N 358.482 2.536 0 50 FFAA Cc1ccccc1-c1nc2ccccc2c(=O)n1[C@H]1CCS(=O)(=O)C1 4197217 WTFMQUUHGVWSEX-AWEZNQCLSA-N 354.431 2.732 0 50 FFAA Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cccc2c(Br)cccc12 4484346 KXOKOPGKZYOXGG-UHFFFAOYSA-N 374.194 2.540 0 50 FFAA CN(Cc1nc(COc2ccccc2)no1)C[C@@H]1COc2ccccc2O1 55132022 VFIJFBXNLPTPNX-MRXNPFEDSA-N 367.405 2.920 0 50 FFAA CSc1nc2[nH]c(C)c(Cc3ccc(Br)cc3)c(=O)n2n1 100133380 YJSXCIJMCKREHG-UHFFFAOYSA-N 365.256 2.801 0 50 FFAA COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc(OC)c1O 55031665 JXMOZUXKENQREJ-UHFFFAOYSA-N 370.449 2.934 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 54254113 QEZYPAXUJUZVRW-UHFFFAOYSA-N 361.829 2.638 0 50 FFAA Cc1ccc2c(CN3CCN(C(=O)c4ccco4)CC3)cc(=O)oc2c1 20446848 YRRVNKPJXFYDFT-UHFFFAOYSA-N 352.390 2.652 0 50 FFAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12 101231229 FGKWKVAHFUBICB-ZVZYQTTQSA-N 372.490 2.911 0 50 FFAA COC1=C[C@H](O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O 101013322 QDNCNBBKBODBDR-MHIIWPAESA-N 354.786 2.602 0 50 FFAA COc1cc(CN2CCN(C3CCCCC3)C[C@H]2CCO)cc(OC)c1 104464498 YJPFNELNPVBIRR-LJQANCHMSA-N 362.514 2.905 0 50 FFAA Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c1 24611759 VIARAYZJPXDHKA-UHFFFAOYSA-N 364.511 2.596 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H](C(=O)O)C3)o2)cc1 136160681 FHEQCQCDRXTIHW-CQSZACIVSA-N 358.394 2.606 0 50 FFAA CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 20419503 DJQUTQXEFRSBMV-IBGZPJMESA-N 372.440 2.590 0 50 FFAA O=C(Nc1cccc(-c2cnco2)c1)C(=O)N1CCC[C@H]1C1CCOCC1 442411904 XWNYNBFYVUUFIG-KRWDZBQOSA-N 369.421 2.698 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(F)c(F)c2)n1 151001529 YSGPORWAGLHMHI-KRWDZBQOSA-N 359.376 2.762 0 50 FFAA CCSc1nnc(NC(=O)c2nn(C)c(C)c2Br)s1 2777983 HVUBACLXWSPJFB-UHFFFAOYSA-N 362.278 2.707 0 50 FFAA Cn1nccc1CNC(=S)Nc1cnn(Cc2cccc(Cl)c2)c1 2802506 ZCWAXBURCSPBKP-UHFFFAOYSA-N 360.874 2.805 0 50 FFAA CC[C@H](C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F)n1nc(C)c(Cl)c1C 6555265 UKKMRRXBOJICHU-ZWNOBZJWSA-N 366.771 2.964 0 50 FFAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cnn(C)c2C)n2ncnc2N1 6925127 LMWJOLWDDKZHMA-KRWDZBQOSA-N 363.425 2.556 0 50 FFAA COc1ccc(CN2CCNC(=O)[C@@H]2Cc2ccccc2)c(Cl)c1OC 216201474 ZIPFRYARFHUXRU-INIZCTEOSA-N 374.868 2.900 0 50 FFAA O=C1CN(Cc2ccc(OCCn3ccnc3)cc2)CCN1C1CCCC1 215890160 CDOPDSZIKKLFRG-UHFFFAOYSA-N 368.481 2.549 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)N1CCO[C@@H](c2cccs2)C1 154964570 VNCRFXRTBRKWDG-GOSISDBHSA-N 371.506 2.889 0 50 FFAA O=C(NCC1CC1)c1cn2cc(-c3cccs3)n(CC3CC3)c(=O)c2n1 72428778 ULPDHHVXZHSAJT-UHFFFAOYSA-N 368.462 2.774 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 363151456 GPMLELSMHNPHBQ-MSOLQXFVSA-N 356.426 2.743 0 50 FFAA CC(=O)c1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)nc1C 486484453 HMZIWKIBINCFKF-UHFFFAOYSA-N 361.423 2.525 0 50 FFAA CCc1nnsc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@@H](CC)C1 71775540 KWKSJDCBAJZBNS-HNNXBMFYSA-N 372.494 2.754 0 50 FFAA CC(C)c1ccc(C(=O)N(C)Cc2ccc3nsnc3c2)c(=O)n1C 215865355 OHMQNNCEBAAGFV-UHFFFAOYSA-N 356.451 2.786 0 50 FFAA Cc1cc(N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)n2nc(C)cc2n1 72429401 KKBUCZAEKOHNIV-UHFFFAOYSA-N 360.421 2.740 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 237943305 ZSOCDBHJKXLUSC-LBPRGKRZSA-N 362.817 2.780 0 50 FFAA CCC[C@@H]1CCc2sc(C(=O)N3CCC(O)(C(=O)O)CC3)cc2C1 71764663 MEPLAKFLCFOJAK-GFCCVEGCSA-N 351.468 2.705 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)nc1)N1CCCC[C@H]1CCn1cccn1 71761180 OWXWGOYTCNVZNY-INIZCTEOSA-N 350.426 2.753 0 50 FFAA CCc1nc(C2(NC(=O)c3ccc(Br)cn3)CCCC2)no1 175145045 UUOLNCHQMVHYNS-UHFFFAOYSA-N 365.231 2.989 0 50 FFAA CC(C)c1ccc(C(=O)N2CCN(c3ccccc3Cl)C(=O)C2)c(=O)[nH]1 82121188 ZPYBABNDDZNTQF-UHFFFAOYSA-N 373.840 2.641 0 50 FFAA Cc1nc([C@H]2C[C@H](NC3CCN(c4ccccc4F)CC3)C2)cc(=O)[nH]1 220688832 AVTCHFVOYGEERQ-FZNQNYSPSA-N 356.445 2.722 0 50 FFAA Cc1cc(=O)cc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)o1 223381224 KEXKXUINGJUARE-CQSZACIVSA-N 351.406 2.919 0 50 FFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)cc1 82121372 STZLDPLMCAOGIV-GOSISDBHSA-N 354.450 2.864 0 50 FFAA CC(=O)Nc1cccc(C(=O)N2CCC(OCc3ccccn3)CC2)c1 220180859 ZQFYVGNUKLGNJU-UHFFFAOYSA-N 353.422 2.861 0 50 FFAA Cc1cccc(-n2cnc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)c2)n1 20536120 JMGGFWQRDIFZIF-UHFFFAOYSA-N 373.420 2.642 0 50 FFAA Cc1ccccc1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 82161269 GZZPSYODJMBGQR-UHFFFAOYSA-N 366.465 2.654 0 50 FFAA COCc1nc(NCCn2c(C)cc3ccccc32)cc([C@@H]2CCOC2)n1 426658328 KCYRYAPKSUIILL-QGZVFWFLSA-N 366.465 3.502 0 50 FFAA O=C([C@H](Oc1ccccc1)c1ccccc1)N1CCN(c2cccnn2)CC1 195377394 VTBSOSKMMQOQQI-OAQYLSRUSA-N 374.444 2.946 0 50 FFAA CCn1ccc2c(CN3CCC4(CC3)[C@@H](C(=O)O)CC(=O)N4C)cccc21 95367962 ZDZDBYBXSNCUFV-QGZVFWFLSA-N 369.465 2.559 0 50 FFAA O=C1N(CCO)CCC[C@]12CCN(Cc1ccccc1C(F)(F)F)C2 91808478 ZJJADHZKVNRUNR-QGZVFWFLSA-N 356.388 2.512 0 50 FFAA COc1ccc(CCN2CCC[C@H](CN(C)C(=O)c3ccnnc3)C2)cc1 95501242 TYRVROXOJOMGOJ-GOSISDBHSA-N 368.481 2.512 0 50 FFAA CCOc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)N2CCCCC2)CC1 95357662 CIDUPYXEHONYQI-IBGZPJMESA-N 374.481 2.936 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)NCc1nncn1C1CCCCC1 426685454 UYQOLRRSJKSJJM-KRWDZBQOSA-N 372.473 2.707 0 50 FFAA CCC[C@@H](NC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1)c1nccn1C 426580666 GGGSBUZGAWVMLQ-OAHLLOKOSA-N 373.457 2.793 0 50 FFAA CC(C)(N)c1cn(C2CCN(Cc3ccnc4ccccc34)CC2)nn1 23128504 XWYMHMQEDSIBSC-UHFFFAOYSA-N 350.470 2.857 0 50 FFAA COc1cc(F)ccc1[C@H](C(=O)O)N1CCC(Oc2cccnc2)CC1 95378974 ISKNJSVDZMMDMA-GOSISDBHSA-N 360.385 2.898 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc2ccccc12 239164880 NBPDULKKVXOPCZ-OPLYSGQSSA-N 372.424 2.831 0 50 FFAA COc1ccccc1-n1nc(C2CC2)nc1CC[C@@H](C)N1CCN(C)CC1 96139129 LUIOWGUYHQSKBK-MRXNPFEDSA-N 369.513 2.722 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCc2cn3cc(C)ccc3n2)cn1 91952366 ICZKKNHGTZBDJB-UHFFFAOYSA-N 361.405 2.767 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 299743406 KXGLSSBYBOTJJT-INIZCTEOSA-N 367.327 2.828 0 50 FFAA COCC1(NC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)CCCC1 534649312 MSWPKPDZGXRSCN-UHFFFAOYSA-N 359.470 2.680 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(-c4cncc(O)n4)cc3)C2)n1 534589092 GGELQXPJYDKFHZ-QGZVFWFLSA-N 363.421 2.750 0 50 FFAA O=C(NCCN1CCC(CO)CC1)N(Cc1ccsc1)C1CCCC1 534659601 CIYFKAHEIUTZFR-UHFFFAOYSA-N 365.543 2.907 0 50 FFAA Cc1ccccc1[C@@H](CNC(=O)N1CCC(c2ncon2)CC1)N(C)C 534659745 QEHUSQJOLTYLMZ-QGZVFWFLSA-N 357.458 2.570 0 50 FFAA COc1ccc(CC2=NO[C@H](CNC(=O)[C@@H](OC)c3ccccc3)C2)cc1 299786202 PQAYUDSMVLMDNE-PMACEKPBSA-N 368.433 2.887 0 50 FFAA Cn1nc(CNC(=O)CSCCN2CCCC2)c2c(Cl)cccc21 299791106 CMKLQYZBVXNMIN-UHFFFAOYSA-N 366.918 2.672 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)N(CC2CCC2)C[C@H]2CCCO2)c1 299777469 QJPDHWIFEMDRTA-GOSISDBHSA-N 359.470 2.788 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCc1cc(CC(C)C)no1 670471667 DOJHMQXQMCAHRV-UHFFFAOYSA-N 352.456 2.977 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc(-c2cc[nH]n2)cc1 670461078 UBWOFSZGMYDJMF-INIZCTEOSA-N 364.405 2.704 0 50 FFAA CC1(C)C[C@@H](CNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)N(c2ncccn2)C1 1875406064 WAZANUYZCZDAHD-ULQDDVLXSA-N 358.486 2.545 0 50 FFAA Cc1c(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)oc2ccccc12 952888137 DAXUHCBQXZHEJT-LSDHHAIUSA-N 352.394 2.531 0 50 FFAA C=CC(=O)N1CC([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 1875389074 ASCDCHKCTRYFKR-LLVKDONJSA-N 359.813 2.758 0 50 FFAA C[C@@H]1CN(C(=O)c2ncsc2Nc2ccccc2)C[C@H](CC(=O)O)O1 1875312072 HBPDLEKEPDGMKR-YPMHNXCESA-N 361.423 2.591 0 50 FFAA Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cn1 171462959 KPFGEHIUIJGUOB-VQTJNVASSA-N 367.497 2.931 0 50 FFAA CCCc1ccc(S(=O)(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)cc1 189225010 MVMAOTXUYUQJRY-GOSISDBHSA-N 363.483 2.618 0 50 FFAA Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)nc(-c2ccncc2)n1 109213542 YQCMGDHPTNAWGN-UHFFFAOYSA-N 351.454 2.686 0 50 FFAA C[C@H](c1nnnn1C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 192125933 BKAPPHCGRPHMMV-GFCCVEGCSA-N 366.391 2.910 0 50 FFAA COc1ccc2c(c1)CC[C@H](NC(=S)Nc1ccc(C(N)=O)cc1)C2 783755710 LOYPLTFLKPMRPC-INIZCTEOSA-N 355.463 2.638 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)S(=O)(=O)c1ccccc1C(=O)O 1506422271 RALPHFVLHZKYEF-HNNXBMFYSA-N 374.462 2.532 0 50 FFAA COc1cccc([C@H]2CCN(CC(=O)NCc3ccccc3)C2)c1OC 1529107082 WEDOXAPNVHXYMQ-KRWDZBQOSA-N 354.450 2.810 0 50 FFAA CC[C@@H](Nc1nc(C)c(C)cc1C(N)=O)c1ccc(S(C)(=O)=O)cc1 1704343628 LTVTWUPYFPNUDK-MRXNPFEDSA-N 361.467 2.764 0 50 FFAA COCCNc1noc(-c2ccc(Cl)cc2)c1C(=O)N(C)C[C@@H](C)O 1704311135 ZLKWDYYOXPRFQK-LLVKDONJSA-N 367.833 2.506 0 50 FFAA CC1=CC2(CCN(C(=O)c3ccccc3N3CCOCC3)CC2)OCC1 1704298967 LBAMFXDZWFDILF-UHFFFAOYSA-N 356.466 2.865 0 50 FFAA O[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)C[C@@H]1Cc1ccccn1 1616077419 GMTCPNVVMFHYII-JXFKEZNVSA-N 368.868 2.956 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@H](Cc4ccccn4)[C@@H](O)C3)cc2c1 1616082547 JRQTYPUAXHUWGU-PXNSSMCTSA-N 363.461 2.988 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)N1CCC(c2ccnc(O)c2)CC1 1772812556 NCSFCPNDHOOKBU-CQSZACIVSA-N 356.422 2.969 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)CSc1ncccn1 12476399 FBQZQMXAOQNOGZ-GFCCVEGCSA-N 366.450 2.607 0 50 FFAA CC(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)c1 15075079 VPVCJSYXMLCSRX-SFHVURJKSA-N 357.454 2.556 0 50 FFAA COc1ccc(OC)c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1 19228280 QGJADOMSLJGAKR-KRWDZBQOSA-N 350.503 2.619 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 19606776 AJKDLLRQOHIAOA-QPJJXVBHSA-N 360.454 2.845 0 50 FFAA CC(C)(C)C(C)(C)CNC(=O)N1CCOC2(CCS(=N)(=O)CC2)C1 1857527961 MBCLTXWEDNUTQE-UHFFFAOYSA-N 359.536 2.680 0 50 FFAA Cc1cc(Br)cc2cc(C(=O)N[C@H]3CCNC(=O)CC3)[nH]c12 1857531362 NJOIDRJFUYUGJA-GFCCVEGCSA-N 364.243 2.637 0 50 FFAA C[C@H](NC(=O)[C@H]1C[C@]12CCOc1ccc(F)cc12)c1nnc2n1CCCC2 1857532295 QYSMCIIFMRZBDP-VHPWJVAPSA-N 370.428 2.671 0 50 FFAA C[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1c1ccc(F)cn1 1857700947 DKAUFAKPERTCFU-CQSZACIVSA-N 367.428 2.767 0 50 FFAA O=C1NCCC[C@]12CN(Cc1ccc(-c3ccccc3)cc1)CC[C@@H]2O 1857703716 XJUOWKRWPQLOQL-RBBKRZOGSA-N 350.462 2.817 0 50 FFAA CCc1nnc(N2C[C@H](C(=O)NCc3cc4ccccc4o3)CC2=O)s1 1857734386 QYVKWYITBXAHDA-GFCCVEGCSA-N 370.434 2.516 0 50 FFAA COCCN(C(=O)c1cc(S(C)(=O)=O)ccc1C)[C@@H]1CC[C@@H](C)C1 331147186 ZSBQPCBIEREXEB-UKRRQHHQSA-N 353.484 2.676 0 50 FFAA COc1ccc(CNCC2(O)CCOCC2)cc1OCc1ccccc1 237335009 DPWKAKMHFMXTIZ-UHFFFAOYSA-N 357.450 2.905 0 50 FFAA CCOC(=O)C1CCN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)CC1 10434674 IAYGHVQQSYPFRF-ILCGBQQYSA-N 365.514 2.608 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Br)c(F)c1 238105941 DWNMXPSJWGPGNW-LLVKDONJSA-N 374.206 2.684 0 50 FFAA CCC[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)C1 137047377 VTWVFVPVESOIGC-OAHLLOKOSA-N 354.454 2.722 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 363385661 CBNFKYONAWUPPH-QWHCGFSZSA-N 367.852 2.803 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc2c1C 1704326316 URLLUPNQNJIVEF-TZIWHRDSSA-N 355.482 2.704 0 50 FFAA O=Cc1ccc(Br)cc1OS(=O)(=O)C[C@@H]1CCCCO1 851820428 AAFYZUHTNVQLNJ-LBPRGKRZSA-N 363.229 2.539 0 50 FFAA CCNc1nc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cs1 280628364 QUGUAEFVNRZFJD-IYBDPMFKSA-N 356.495 2.779 0 50 FFAA COCC(=O)Nc1ccc(Nc2ccc(CC(=O)N(C)C)cc2)cc1OC 2100540789 PPQFJQCRSOCDHP-UHFFFAOYSA-N 371.437 2.654 0 50 FFAA Cc1nc(C[C@@H]2CCNC2)sc1C(=O)Nc1cn(C)nc1-c1ccco1 2325780277 UZOJDIFSTGIVDB-LBPRGKRZSA-N 371.466 2.849 0 50 FFAA Cc1cnc2c(NC(=O)Nc3ccc(OCCN(C)C)cc3)cnn2c1 2325810634 VHNHAJHQAKRJOW-UHFFFAOYSA-N 354.414 2.622 0 50 FFAA Cc1ccc(F)cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842647 DLCWHNSFEGSYKY-CQSZACIVSA-N 358.417 2.625 0 50 FFAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1 758751 AIHBXYIYQKPUFF-ZYHUDNBSSA-N 363.266 2.864 0 50 FFAA O=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1 917782 OEIZFOSJHYBFGN-UHFFFAOYSA-N 352.390 2.751 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 996627 DVVUVEQXLOVRGH-UHFFFAOYSA-N 368.414 2.917 0 50 FFAA Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 1172585 UIIIAYIDBAKDKD-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA O=C(CSc1nnnn1-c1ccc(F)c(Cl)c1)N1CCCCC1 2501585 NWRYXDDZFXGBIA-UHFFFAOYSA-N 355.826 2.559 0 50 FFAA COc1cc(CNC2CCCCC2)cc(Br)c1OCC(N)=O 2886281 BEXZSYVOYFBWBC-UHFFFAOYSA-N 371.275 2.744 0 50 FFAA CCC[C@@H](NC(C)=O)C(=O)NC(=O)NC(c1ccccc1)c1ccccc1 4996966 FKIYLLPFIUONKO-GOSISDBHSA-N 367.449 2.907 0 50 FFAA CN1CCN(C(=O)c2nc(SCc3ccccc3)ncc2Cl)CC1 54137083 PUUOWVODGPBBMB-UHFFFAOYSA-N 362.886 2.810 0 50 FFAA CCn1c(SC)nnc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 1391752 PMHRKRSEQBRZPU-VIFPVBQESA-N 360.892 2.713 0 50 FFAA Cc1cccc(CCNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 67724779 PYVJQSGFSSPCDC-JOCHJYFZSA-N 373.541 2.846 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCO[C@H](CCO)C3)c(C)o2)cc1C 67787301 JUGRXZGQZMZRBI-MRXNPFEDSA-N 360.454 2.859 0 50 FFAA CC1(C)COCCN1CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 172604411 WIGKQOPJCYUAFW-STQMWFEESA-N 354.853 2.810 0 50 FFAA CC(C)CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO 20600873 TUOBRUJZIDNDKD-FQEVSTJZSA-N 356.514 2.991 0 50 FFAA Cc1cc(C)c(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1 11813444 BPPZHLLQBYXNEQ-LJQANCHMSA-N 367.493 2.819 0 50 FFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2csc(C)n2)CCC1=O 11843338 KRTXOBWRDBNHSY-HNNXBMFYSA-N 373.478 2.515 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)c1cn[nH]c1-c1cccs1)CC2 67740013 ZQRRBCSSKIIACA-UHFFFAOYSA-N 358.467 2.661 0 50 FFAA CC[C@@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)CC1)c1noc(C)n1 120749987 LWGKFRUGAAKSHP-QGZVFWFLSA-N 357.458 2.978 0 50 FFAA Cc1cc2c(c(-c3nc(N(C)C)n(Cc4ccccc4)n3)c1)O[C@H](CN)C2 67966750 JXUHASMNYBUQDI-KRWDZBQOSA-N 363.465 2.630 0 50 FFAA CC1(C)OC(=O)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@]1(C)O 1421334 YHARNCZQWUODJF-HNNXBMFYSA-N 360.332 2.973 0 50 FFAA NC(=O)c1c(NC(=O)CCn2cc(Cl)cn2)sc2c1CCCC2 2780865 VPNWMUMRGCZPMK-UHFFFAOYSA-N 352.847 2.605 0 50 FFAA O=C(c1cc[n+]([O-])cc1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 12385325 IRUFQLNVPIAJCA-NRFANRHFSA-N 357.498 2.828 0 50 FFAA Cc1ncsc1CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O 253426861 BGTIVWSTXYVREJ-UHFFFAOYSA-N 366.386 2.997 0 50 FFAA Cc1ccc(NCCCNC(=O)C2(c3ccccc3)CCN(C)CC2)nc1 219906166 ZPDSEOXLVUMCCN-UHFFFAOYSA-N 366.509 2.972 0 50 FFAA CC(C)Cn1cc(CN[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cn1 486924404 HMNAOOKXPSCCTK-QUCCMNQESA-N 353.470 2.528 0 50 FFAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(-c3noc(C4CC4)n3)cc1)C2 216156772 MUTJTMDPBRRTLL-SUMWQHHRSA-N 352.438 2.780 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1nn2cc(C)cnc2c1Cl 215191044 DSHIBYNCJGGSSH-AWEZNQCLSA-N 374.828 2.592 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 174508202 MJMZLVNCCIHQNF-MRXNPFEDSA-N 374.460 2.788 0 50 FFAA C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)Cc2ccccc2O1 333154542 GDCCJHJKMFNUHJ-IDHHARJASA-N 370.453 2.633 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4ncc(F)cn4)CC[C@H]32)o1 72468835 SDDWLJZSVWOKLQ-WMLDXEAASA-N 358.417 2.577 0 50 FFAA Cc1ccn(CC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 72478581 CNOKJQLTMUIVDG-UHFFFAOYSA-N 367.371 2.721 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)NCc1csc2c1CCCC2 72433114 YJFAXOKHGHOBBT-UHFFFAOYSA-N 358.511 2.566 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@](O)(CO)CC1 219809114 XOUKHGDFIVOEMN-QFIPXVFZSA-N 353.462 2.945 0 50 FFAA CN(C)CCOc1ccccc1-c1noc([C@H]2CCc3cnn(C)c3C2)n1 288969601 HQXVTZPNVPXNCB-AWEZNQCLSA-N 367.453 2.683 0 50 FFAA CSc1ncccc1C(=O)NCCc1csc(-c2ncccn2)n1 220440932 PMTFIDQOZYZLBV-UHFFFAOYSA-N 357.464 2.690 0 50 FFAA CCCCc1cn(C[C@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)nn1 48255116 MQADFRHRLRJJDG-HNNXBMFYSA-N 370.501 2.775 0 50 FFAA COc1cccc(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1 223608197 UOPNDLWYLIRKOO-IRZJEQJZSA-N 367.445 2.801 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cscn1)CC2 426523393 GDUDGJPZQBEGFN-QIIPPGSGSA-N 359.451 2.769 0 50 FFAA O=C(COc1cccnc1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220324162 SJIRPHWQCAZBPJ-AEJJIKPWSA-N 363.417 2.637 0 50 FFAA CCCc1ncncc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 220114456 LKVLHHIYVUTIRB-MOPGFXCFSA-N 355.438 2.533 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3[nH]nc4c3C[C@H](C)CC4)n1)CCNC2 19782227 OGKMKALZKBFXAP-SNVBAGLBSA-N 350.426 2.601 0 50 FFAA O=C(CCc1ccsc1)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 220155216 VYUJYBQCQIEYHL-QZTJIDSGSA-N 361.463 2.526 0 50 FFAA O=C(NCc1cc2n(n1)CCNC2)c1cc(N2CCCCC2)ccc1Cl 82098377 VELNACCLWCXNBD-UHFFFAOYSA-N 373.888 2.560 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)Nc2ccccc2Sc2c(C)n[nH]c2C)C1 96151759 IPYXPNNOINRBPI-AWEZNQCLSA-N 373.482 2.920 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3cncc(C(N)=O)c3)cc2)C1 426412387 KYRQEUHKPHRTNL-LJQANCHMSA-N 367.449 2.879 0 50 FFAA Cc1cc(-c2cccc(C(=O)NCCN3CCC[C@@H](CO)C3)c2)cc(C)n1 426383728 DBQNBCXFEHRNEV-GOSISDBHSA-N 367.493 2.800 0 50 FFAA CCNc1ncc(C(=O)N[C@H](C)c2cnn(-c3ccc(OC)cc3)c2)cn1 91364697 BKBBCIASZYBBJT-CYBMUJFWSA-N 366.425 2.594 0 50 FFAA COc1ccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c(C)c1 91997911 GCQZFORMYWAFIM-UHFFFAOYSA-N 370.497 2.782 0 50 FFAA Cc1csc2c(N3CCC(N[C@H](C)Cc4cnccn4)CC3)ncnc12 95515262 MSBUFGZWAWNXRV-CQSZACIVSA-N 368.510 2.979 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)NCCc2ccccc2)CC1 91526239 RQSLISMVOKJXBB-UHFFFAOYSA-N 369.513 2.576 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNc1cc(C(=O)N3CCCC3)ccn1)C2 92037534 WAXYYVNMZMNURU-HNNXBMFYSA-N 367.449 2.989 0 50 FFAA O=C(NCCCn1nnc2ccccc21)[C@H]1CCOc2ccccc2C1 95505463 QPZAAACFRAPOJX-INIZCTEOSA-N 350.422 2.579 0 50 FFAA COCc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)o1 96133581 UBPAPAWVXXHECT-UHFFFAOYSA-N 363.458 2.663 0 50 FFAA Cc1c(F)cccc1CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 95377337 IGADJMOJEYEDKS-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc(OCC(F)F)ccn1 182244836 BOZLMSJFOVIDBC-CYBMUJFWSA-N 361.348 2.581 0 50 FFAA Cc1ccc(CN(C)CC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 244852589 UVGCPSDSHBTTDE-UHFFFAOYSA-N 366.509 2.603 0 50 FFAA CC(C)n1ccnc1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 244678497 IEOVEMZWIANHLW-UHFFFAOYSA-N 357.483 2.913 0 50 FFAA Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N1CC[C@@H](C(=O)O)C1 299741574 GMPCGFCIVYTUEA-CQSZACIVSA-N 361.829 2.748 0 50 FFAA CC(C)[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](CN)C1 299739669 RFGFPVNTRPKHEJ-WFASDCNBSA-N 355.276 2.660 0 50 FFAA C[C@H](c1ccccc1)n1nccc1NC(=O)NCCN1CCCCC1=O 299764417 SMZGVRYRTWZSFI-OAHLLOKOSA-N 355.442 2.626 0 50 FFAA COc1ccc([C@]2(C(=O)NCCCn3nc(C)nc3C)CC2(C)C)cc1 299799181 PWEAMUGUJSYRTF-FQEVSTJZSA-N 356.470 2.778 0 50 FFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)NCc1ccccn1 1875358817 KVJHYIGMTSHBCN-VQTJNVASSA-N 359.429 2.771 0 50 FFAA C=CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1875374874 ICVFLINSJUYCKX-UHFFFAOYSA-N 374.418 2.773 0 50 FFAA Cc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1O 1875300601 JZRKSIDZJICLKQ-KRWDZBQOSA-N 354.454 2.606 0 50 FFAA NC[C@@H]1CN(C(=O)c2nc3ccccc3cc2Cl)CC12CCOCC2 1875312057 GVGBZXYNQYURST-CQSZACIVSA-N 359.857 2.716 0 50 FFAA CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](c1ccccc1)C(C)(F)F 1875295664 NKDXHVRIHQAECO-DZGCQCFKSA-N 374.453 2.502 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CCc2n[nH]c3c2CCCC3)n1 952972031 UPNPKLLEKFEUAQ-UHFFFAOYSA-N 367.375 2.655 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)ccc2O1 885594813 SQGMDANWXRWWLH-CQSZACIVSA-N 366.417 2.735 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2cc(Br)no2)C1 886078441 RETOFOLCYGODLV-YUTCNCBUSA-N 358.280 2.511 0 50 FFAA COCCOC(=O)Nc1cccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1 170635800 SBFXYGLACNWYPP-KRWDZBQOSA-N 374.368 2.963 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)N(C)CCc2scnc2C)CC1=O 1506415964 RQCZNOHXFIHXEN-AWEZNQCLSA-N 373.478 2.514 0 50 FFAA CN(C)CCc1nnc(NC(=O)c2ccc([C@H]3CCCO3)s2)s1 1506402322 WUGPLNZLANNFPH-SNVBAGLBSA-N 352.485 2.808 0 50 FFAA Cc1c(NC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)cnn1C 1529152590 VCZHNZGZBNWSAA-UHFFFAOYSA-N 369.446 2.955 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1 1775980416 XHIUMXSCSPNSSM-XMSQKQJNSA-N 365.429 2.759 0 50 FFAA COCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)o1 11820652 LXKMTWHMAJSCHC-OAHLLOKOSA-N 372.421 2.914 0 50 FFAA COC[C@@H](C)Nc1ncnc2sc(C(=O)N3CCSCC3)c(C)c12 12099989 ATYGZBDEQSVNKL-SNVBAGLBSA-N 366.512 2.636 0 50 FFAA COCCCNC(=O)c1ccc([C@@H]2CCCN2Cc2c[nH]c(C)n2)s1 19146295 UARWBCDIJJIQNY-HNNXBMFYSA-N 362.499 2.883 0 50 FFAA Cc1noc(-c2ccc(N3CCCC[C@H]3CCN3CCCC3=O)nc2)n1 19148038 XUQWGIRXJCIGEP-INIZCTEOSA-N 355.442 2.811 0 50 FFAA c1ccc(Cc2noc(-c3ccc(NC[C@@H]4COCCO4)nc3)n2)cc1 19745257 YIONYVGOYVYLGQ-MRXNPFEDSA-N 352.394 2.550 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3cc4ccc(OC)cc4nc3O)CCN12 1875242834 DSJOHPWAPMTDEC-ZWKOTPCHSA-N 371.481 2.634 0 50 FFAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCOc3ccccc32)C(=O)O)c1 237692369 IHHLYDFQIAYDJX-SJLPKXTDSA-N 353.418 2.921 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1cccs1 247873644 MUNWZTMUJWWEKA-CVEARBPZSA-N 369.490 2.839 0 50 FFAA Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 248170769 VXFAICIWCFDEHY-AEFFLSMTSA-N 369.490 2.644 0 50 FFAA COc1cccc(CN[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1OC 370277186 SIGJIZKHXHSAJB-GOSISDBHSA-N 354.450 2.637 0 50 FFAA CCn1cc(C(F)(F)C(=O)N[C@@H](C(=O)OC)c2ccc(C)c(C)c2)cn1 2325739023 OGTPNCCXUFOWCO-OAHLLOKOSA-N 365.380 2.642 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)[C@H](C)c3cccs3)C2)n[nH]1 2325843095 UEQAZLDXDOCOPB-OLZOCXBDSA-N 360.483 2.729 0 50 FFAA CC(=O)Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1 866153 IDGIGCFDTSQPMZ-UHFFFAOYSA-N 361.448 2.666 0 50 FFAA Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)c(C)c1 948362 JJBSUHPIAOZONO-UHFFFAOYSA-N 353.374 2.522 0 50 FFAA Cc1cc(Br)cc2c1NC(=O)[C@]2(O)CC(=O)c1ccco1 1124599 KGXSTZZCBMWXET-HNNXBMFYSA-N 350.168 2.763 0 50 FFAA COc1ccccc1N1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 1230568 IBYJAEVAXQKZNT-UHFFFAOYSA-N 356.422 2.755 0 50 FFAA O=C(CN1CCc2ccccc2C1)Nc1ccc(N2CCOCC2)cc1 3227350 APCMYLJFTMUFBD-UHFFFAOYSA-N 351.450 2.520 0 50 FFAA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCC[C@@]12CCCNC2=O 2356162486 DGJMWHLGYBERAB-MRXNPFEDSA-N 374.334 2.808 0 50 FFAA COc1cc(S(=O)(=O)Nc2cccc(C)n2)ccc1Br 4809385 JPCNTXNHDSWDRC-UHFFFAOYSA-N 357.229 2.962 0 50 FFAA O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680507 XEXRRMRZGNPTDL-UHFFFAOYSA-N 370.521 2.914 0 50 FFAA CCOc1ccccc1NC(=O)CC(=O)N(C)Cc1cc(C2CC2)[nH]n1 55183242 FWWSGMUDHVWBTG-UHFFFAOYSA-N 356.426 2.673 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@@H](O)CCCC(=O)O 27647260 ZZMKOZNTEJVKRY-OLOFOIPHSA-N 350.455 2.905 0 50 FFAA in-vitro CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCc4ccccc43)C2=O)cc1 100117922 VASGOFNAGZNLGG-SFHVURJKSA-N 364.401 2.558 0 50 FFAA COc1cc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)cc2c1OCO2 67818803 LLKRLROAJQUILO-LJQANCHMSA-N 364.405 2.690 0 50 FFAA Cc1nc([C@@H]2CCCNC2)cc(N2CCC(O)(c3ccc(F)cc3)CC2)n1 67472629 PVKRCEVOKXWDLZ-MRXNPFEDSA-N 370.472 2.879 0 50 FFAA COC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 67820969 FKNMDRHXONRYOF-QGZVFWFLSA-N 372.425 2.613 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCCN(Cc2ccncc2)CC1 20539605 LZFRPZMLHXKCRH-KRWDZBQOSA-N 370.522 2.916 0 50 FFAA O=C(CC[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1)N1CCCC1 12225963 WNZKHOBRWNTBQT-SFHVURJKSA-N 360.498 2.672 0 50 FFAA Cn1ncc2c(NCCc3cn4ccccc4n3)nc(-c3ccncc3)nc21 72477525 ISYXGCCSEHXAMA-UHFFFAOYSA-N 370.420 2.728 0 50 FFAA CCN(C(=O)CN1CC[C@H](Oc2cccnc2N(C)C)C1)c1ccccc1 253430851 SKBYGINSYUYYAE-SFHVURJKSA-N 368.481 2.654 0 50 FFAA Cc1ccccc1OCCNC(=O)c1ccc(CN2CCOCC2)cc1 72437002 CRTNTUYZESQSMU-UHFFFAOYSA-N 354.450 2.636 0 50 FFAA Cc1noc([C@@H](NC2CCN(c3nccs3)CC2)C2CCOCC2)n1 328616205 BLVNPPCDACJPQC-HNNXBMFYSA-N 363.487 2.561 0 50 FFAA CN(CCC12CC3CC(CC(C3)C1)C2)C(=O)C1CCS(=O)(=O)CC1 71759015 ISUVEKYXEVBDOK-UHFFFAOYSA-N 353.528 2.876 0 50 FFAA Cc1ccc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C(=O)O)cc2)cc1 217986094 XPABKKFUSNKOCV-RTBURBONSA-N 369.417 2.588 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(F)cn2)C1 458556877 KJKLEWQTOVRYEZ-INIZCTEOSA-N 356.445 2.884 0 50 FFAA CC(C)c1cccc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72418757 DZNMIUPTHLBNIQ-NRFANRHFSA-N 358.530 2.976 0 50 FFAA COc1ccc(N2C(=S)N[C@H]3N2C(=S)N[C@@]3(C)c2ccccc2)cc1 13571647 VYVXBEFYZHTMSX-YJBOKZPZSA-N 370.503 2.736 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)c1 72125679 KTPDHULMYJOTDA-CYBMUJFWSA-N 369.437 2.732 0 50 FFAA CCc1cc(N2CCN(Cc3cc(C)ccc3-n3cccn3)CC2)ncn1 216288081 MQBWZOFEXWVICT-UHFFFAOYSA-N 362.481 2.855 0 50 FFAA COc1cc(CN2CCCC[C@H]2c2ccccn2)ccc1OCC(N)=O 215364803 WXTLBXJUAZATLC-KRWDZBQOSA-N 355.438 2.682 0 50 FFAA NC(=O)Cc1occc1C(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 376062792 VPAWLZUKBDQVJL-GFCCVEGCSA-N 362.813 2.644 0 50 FFAA COc1cccc(-c2cc(CNC(=O)Cn3cc(Cl)c(C)n3)no2)c1 218962263 JVUGJTVARIHTBW-UHFFFAOYSA-N 360.801 2.825 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 72172606 AUOJAYJPMKBBPZ-HXUWFJFHSA-N 360.473 2.818 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 239667905 BRWYXSSJCKUAOV-XYJFISCASA-N 364.511 2.653 0 50 FFAA O=C(O[C@H]1C[C@@H](N2CCOCC2)C1)c1cc(Br)ccc1F 241588219 PAXDSEKRPBPAQV-TXEJJXNPSA-N 358.207 2.608 0 50 FFAA COc1cccc(N2C[C@@H](n3ccnc3-c3ccc(CO)o3)CC2=O)c1 77536683 MPHAMJNRGBUAJW-AWEZNQCLSA-N 353.378 2.622 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1conc1-c1ccccc1 426544581 YQGCGPJSYATMKM-QGZVFWFLSA-N 355.438 2.715 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)cc(=O)[nH]1 82161786 DGNJZBNLBGWBSP-ZDUSSCGKSA-N 361.829 2.517 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2-n2cncn2)C1 82155938 SNGMSKVIHVZRKY-GOSISDBHSA-N 374.444 2.931 0 50 FFAA O=C(Nc1cccc(N2CCCC2=O)c1)N1CCC(Cn2ccnc2)CC1 96139106 QHRBTLSRPARIQN-UHFFFAOYSA-N 367.453 2.954 0 50 FFAA Cc1n[nH]c(SCCNC(=O)Nc2ccnn2C[C@H]2CC=CCC2)n1 96133307 FGSIBPMARKLEDQ-ZDUSSCGKSA-N 361.475 2.580 0 50 FFAA O=C1CCC2(CCN(C(=O)c3cscn3)CC2)CN1Cc1ccccn1 91625777 VMXBFFDDTFSHOY-UHFFFAOYSA-N 370.478 2.583 0 50 FFAA Cn1ccc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)ccc21 426551072 HXAIMZXYEYVZDT-UHFFFAOYSA-N 363.461 2.907 0 50 FFAA Nc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1-c1ccccc1 91645554 WFNZOITYYSJGGU-NVXWUHKLSA-N 365.481 2.605 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 95388885 HSYKOQKSIKDEKH-KRWDZBQOSA-N 358.461 2.533 0 50 FFAA OCCn1nc(C2(c3ccccc3)CC2)nc1-c1cc(-c2ccccn2)n[nH]1 96131099 GUKPZFLOASKFFZ-UHFFFAOYSA-N 372.432 2.802 0 50 FFAA COc1cccc(-c2noc([C@H](C)NC(=O)N3CCCC[C@H]3CCO)n2)c1 180675263 DZHZTOVGABZCMK-ZFWWWQNUSA-N 374.441 2.753 0 50 FFAA O=C1CCC2(CCNCC2)CN1CCN1CCC[C@H](c2ccccc2)C1 91254781 QZTWZEDKXSTVAK-FQEVSTJZSA-N 355.526 2.858 0 50 FFAA C[C@@H]1CN(Cc2cnc(N3CCCC3)s2)CC[C@@]1(O)C1CCOCC1 92045728 CKPMSDKNESIDOW-BEFAXECRSA-N 365.543 2.743 0 50 FFAA COCCc1nc(-c2nc3ccccc3n(C)c2=O)n(C2CCCCC2)n1 96151254 JZEFDIDYHQZINQ-UHFFFAOYSA-N 367.453 2.886 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cc1 95504115 UGTZIBUBOCTXGM-IBGZPJMESA-N 363.417 2.704 0 50 FFAA CN1C(=O)CN(Cc2cc3c(cc2Cl)OCO3)C(=O)c2ccccc21 95500136 PNZXPGYPPRCWIQ-UHFFFAOYSA-N 358.781 2.688 0 50 FFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccc(Cl)cc1 239174089 PGFUMUZXVSGJEN-YXAMBPQSSA-N 350.798 2.901 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1ccc3c(c1)oc(=O)n3C)C2 95527904 NRQZTPUJNXJNIG-UHFFFAOYSA-N 367.409 2.668 0 50 FFAA CNc1ncc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 91746830 XZSUNAGMGIFVBP-FQEVSTJZSA-N 368.437 2.732 0 50 FFAA COc1cccc(C2(NC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c1 268245783 SJCKEOMZHGIJSG-INIZCTEOSA-N 371.481 2.728 0 50 FFAA O=C(O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@H]1CCOC1 299751676 RGNRQOFYGHKXQZ-LLVKDONJSA-N 360.237 2.876 0 50 FFAA O=C(NC[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cnc(C2CC2)nc1O 534652361 CUNQHDNZAFZVTJ-LBPRGKRZSA-N 372.856 2.969 0 50 FFAA COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)c1 263616318 IBFQJHRUNWAVBH-FQEVSTJZSA-N 362.433 2.899 0 50 FFAA CC(C)C[C@H](C(=O)NCCn1cnc2ccccc2c1=O)n1cccc1 263588834 ZBEOBHACUOFZOO-GOSISDBHSA-N 352.438 2.602 0 50 FFAA O=C(NCCC(=O)N1CC[C@H](Oc2ccccc2)C1)c1ccccc1F 299788240 RGYLYVJXOYSLFK-INIZCTEOSA-N 356.397 2.626 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(Cc2ccc4ncccc4c2)C3)nc1 299762989 OCTAVEYCLIZHSF-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2cccc(C3=CCCS3(=O)=O)c2)[nH]n1 299781385 FHUNOZSWTQRMNJ-UHFFFAOYSA-N 373.478 2.797 0 50 FFAA O=C(NCCc1nccs1)Nc1cc(N2CCOCC2)ccc1Cl 299793987 INZSHMXPZJBKHK-UHFFFAOYSA-N 366.874 2.997 0 50 FFAA Cc1ccc(C(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1 299801990 ZMRPMCXICUDCLG-QGZVFWFLSA-N 358.482 2.780 0 50 FFAA Fc1ccc(/C=C/CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299755921 GDHSVPMJRNKLHP-OWOJBTEDSA-N 364.428 2.953 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCCN2C)cc1Cl 824313214 VDQASCZPCLGRNW-CYBMUJFWSA-N 353.850 2.738 0 50 FFAA O=C(N[C@H]1CCNC1=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2F)cc1 584897100 AZTCPOHLVOWUQM-SFHVURJKSA-N 366.392 2.704 0 50 FFAA Cc1ccc([C@@H](NC(=O)N2CCN(CCCO)CC2)c2cccs2)cc1 584892252 RGRUNZYIFZSCKC-LJQANCHMSA-N 373.522 2.856 0 50 FFAA Cc1cc(C)n([C@H](C)CNC(=O)N2CCCN(c3ccncc3C)CC2)n1 584894051 SMHBRSZLVCBKFM-GOSISDBHSA-N 370.501 2.686 0 50 FFAA Cc1cnn([C@@H]2CCCNC2)c1C(=O)NC1CCC(N2CCCCC2)CC1 876773855 HGIJPBCRBBMUCD-CTWPCTMYSA-N 373.545 2.643 0 50 FFAA Cc1ccc(Cl)cc1S(=O)(=O)NC(=O)CCc1scnc1C 1875312778 UPPNNCNMTIIPRV-UHFFFAOYSA-N 358.872 2.851 0 50 FFAA Cc1cnccc1CC(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848845 VNLRRNDYNTVWJT-SJORKVTESA-N 353.470 2.826 0 50 FFAA CC[C@@](C)(OC)C(=O)N1Cc2cnn(-c3ccccn3)c2CC(C)(C)C1 952891411 DMCBXWSGTGJFPI-HXUWFJFHSA-N 356.470 2.993 0 50 FFAA Cc1c(NC(=O)c2c(C(F)F)nc3n2CCCC3)cccc1-n1cnnn1 875036817 MNXQQFJGACBPSP-UHFFFAOYSA-N 373.367 2.693 0 50 FFAA O=C(O)c1cc(O)cc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1 952986969 HPSZQBQLGBHVFS-INIZCTEOSA-N 372.396 2.624 0 50 FFAA Cc1nccn1CC[C@H](NC(=O)/C=C/c1cnc(N)nc1)c1ccccc1 952980169 YJHDSPYNBQRIFX-DVBCCOPCSA-N 362.437 2.525 0 50 FFAA c1ccc(-c2noc(NC[C@@H](c3ccccn3)N3CCOCC3)n2)cc1 952984655 LNHBJZPGUQZTMK-KRWDZBQOSA-N 351.410 2.617 0 50 FFAA O=S(=O)(c1cccc(Br)n1)N1CCc2ccc(F)cc21 888096440 VFIJURJYULECKS-UHFFFAOYSA-N 357.204 2.735 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3CCC4(CCN(C)CC4)CC3)n2)cc1 1352034875 KMNFVTIBYKIVLE-UHFFFAOYSA-N 368.481 2.829 0 50 FFAA C[C@@H]1CN(c2ccc(NC(=O)CC(C)(C)C(=O)O)cc2F)C[C@@H](C)O1 170627452 CHVUDGZQFRLNAV-VXGBXAGGSA-N 352.406 2.879 0 50 FFAA CCOc1cc(CNc2nnc(-c3cnn(C)c3)o2)c2c(c1)C[C@@H](C)O2 170607127 VVPBSHMWXNKQMK-LLVKDONJSA-N 355.398 2.804 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 190762189 FNXIFVXDWJDJIZ-QGZVFWFLSA-N 367.449 2.991 0 50 FFAA Cc1nc(C(=O)NCC2CCN(Cc3scnc3C)CC2)cs1 1506416609 KHSPULPARPTAJC-UHFFFAOYSA-N 350.513 2.858 0 50 FFAA CN(C)c1nc2c(c(N3CCCN(Cc4ccccn4)CC3)n1)CCCC2 1529099101 QGZIMMQRYMAJMJ-UHFFFAOYSA-N 366.513 2.529 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N2CCOCC2)cc1 787662 VGQSDAPSMIOESJ-XMHGGMMESA-N 368.408 2.764 0 50 FFAA Cc1nc(N(C)C)nc(NCCN2N=C(c3ccccc3)CCC2=O)c1C 1704357281 OKEJNKJGFRAMBE-UHFFFAOYSA-N 366.469 2.598 0 50 FFAA CC(C)Oc1cccc(OCCN2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1 1704315734 UUVCNFJMGSWHPH-WIYYLYMNSA-N 356.466 2.783 0 50 FFAA Cc1cc(C)c(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c(-n2cccn2)c1 1704341979 ALCHOQUZLVPDRZ-FGTMMUONSA-N 352.482 2.836 0 50 FFAA Cc1ccnc(N2C[C@@H]3CN(C(=O)C4CCCCCC4)C[C@]3(CO)C2)c1 1772813781 SYVIZUMSVLJUTH-NQIIRXRSSA-N 357.498 2.618 0 50 FFAA c1ccc2c(c1)SCc1nnc(-c3csc(N4CCOCC4)n3)n1-2 1772814048 GSNIALGLSPNDFM-UHFFFAOYSA-N 357.464 2.833 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCCCC2)c1=O 11998851 DSDMEAROXZJRSG-UHFFFAOYSA-N 361.486 2.831 0 50 FFAA O=C1NCCN1CCNCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12305384 DRDPZNKKSOLVBD-UHFFFAOYSA-N 361.449 2.859 0 50 FFAA O=C(/C=C/c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13802169 IINZXZGRAXLCIG-VQHVLOKHSA-N 350.418 2.773 0 50 FFAA Fc1cccc(Cl)c1CN1CCc2nnc([C@@H]3CCCO3)n2CC1 14951016 FAXFNMZSLHZXSC-HNNXBMFYSA-N 350.825 2.980 0 50 FFAA CC(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)cs1 15070618 NDDGVYYRLKXEKR-QGZVFWFLSA-N 370.474 2.914 0 50 FFAA Cc1nc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)sc1C 1857721800 GZZBKVGMIZXQOB-WFXMFSGNSA-N 373.478 2.767 0 50 FFAA Cc1cncc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)c1 1857735873 JGAKQXOSWBYQPL-CEXWTWQISA-N 371.868 2.988 0 50 FFAA CCS(=O)(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCC2=CCCCC2)C1 215233018 RKIGLQJFWBHYCT-SJORKVTESA-N 354.516 2.540 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 264756268 KLMQWDPCSWNUBQ-YZGWKJHDSA-N 369.509 2.810 0 50 FFAA C[C@@](O)(C(=O)NCc1ccc(CO)cc1)c1cccc(C(F)(F)F)c1 843963597 HZNQQSMAHZEZLP-KRWDZBQOSA-N 353.340 2.722 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(O)ccc3F)C1)CC2 1704312682 IITRHGFRXAGMNS-HXUWFJFHSA-N 370.428 2.508 0 50 FFAA Cn1cnnc1SCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 817482213 KDLINDGKMLZALJ-LLVKDONJSA-N 356.373 2.990 0 50 FFAA Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc2c(=O)n(C)cnc2c1 2100542849 IZTLYANTFBTATI-UHFFFAOYSA-N 359.389 2.586 0 50 FFAA Cc1cc(CN2CCN(c3ccccc3)C[C@H]2C)c(C)n1-n1cnnc1 106730525 KNEWKKOMGZPHIG-QGZVFWFLSA-N 350.470 2.719 0 50 FFAA OC[C@@H]1CNCCN(Cc2cc3cc(Br)ccc3s2)C1 2325787100 AOYCHJMCIDXBSO-LLVKDONJSA-N 355.301 2.678 0 50 FFAA CC1(C)O[C@@]2(CCCN(C(=O)C(C)(C)c3cscc3Cl)C2)NC1=O 2325799064 RDALDONXFKKUSL-QGZVFWFLSA-N 370.902 2.923 0 50 FFAA Cc1noc2ncc(CN3CC(O)(c4cccc(Br)c4)C3)cc12 895380512 YZPCYPHMVRMTOQ-UHFFFAOYSA-N 374.238 2.997 0 50 FFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1 797290 MEJSKXMNTRRSCG-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA COC(=O)Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(C)=O)cc2oc1=O 1111371 RVLQXEHKPXQZGV-JTQLQIEISA-N 352.770 2.827 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)NCCCCc2ccccc2)cc1 2853601 BCEHAYKKGDBLGJ-UHFFFAOYSA-N 363.508 2.643 0 50 FFAA Cc1ncsc1CN1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356170254 DELJJLASDISBMD-GPMSIDNRSA-N 363.527 2.712 0 50 FFAA COc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1OC 4502235 IMAHHHQBNNKWEI-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA C[C@@H](Cn1cc(Br)cn1)NCC[C@@H]1C(=O)Nc2ccccc21 133982173 CMHAWNIPIBWTDA-FZMZJTMJSA-N 363.259 2.750 0 50 FFAA Cc1cc(Br)c(S(=O)(=O)NCc2ccncc2)cc1C 6704574 DZDWBXBWXPKYLD-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 6767109 RIGPANJVGMAAGQ-UHFFFAOYSA-N 360.435 2.660 0 50 FFAA COC(=O)[C@@H](c1ccsc1)N1CCCN(C(=O)c2cccs2)CC1 225718315 RNGVSTYPQXKADP-OAHLLOKOSA-N 364.492 2.872 0 50 FFAA O=C1CN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@@H]2CCCC[C@H]2N1 247658746 XNMWVGJLBZQJEU-JRBPQWBISA-N 371.481 2.607 0 50 FFAA O=C(N1CCC(n2cc(C3(O)CCCC3)nn2)CC1)C1(C(F)(F)F)CC1 55283591 HQQYRHWURSMDKH-UHFFFAOYSA-N 372.391 2.546 0 50 FFAA Cc1cccn2c3c(nc12)CNC(=O)C[C@@H]3c1nc(-c2ccccc2)no1 65380638 GWTDGRIHHAKQLZ-AWEZNQCLSA-N 359.389 2.845 0 50 FFAA Cc1cccc(-n2ccnc2CN2CCC[C@H](N(C)CCN(C)C)C2)c1 20600642 RPRXPELAMFJFJQ-FQEVSTJZSA-N 355.530 2.639 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(CC)CC3CCCCC3)no2)CC1 67850774 QTMZWGZNUBZAMU-UHFFFAOYSA-N 362.518 2.855 0 50 FFAA CN1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 20706905 AKORGERHWVFBEP-UHFFFAOYSA-N 369.513 2.840 0 50 FFAA CCn1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)c(=O)c2ccc(C)nc21 20601647 QQPJZMIJFODWCZ-UHFFFAOYSA-N 367.453 2.509 0 50 FFAA CCn1cc(NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cn1 123252678 GSUXAYNDCYACTF-JTQLQIEISA-N 353.348 2.764 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3c3c(C)n[nH]c3C)n[nH]2)cc1 329065427 WDIAIWFQXQGGIR-GOSISDBHSA-N 365.437 2.939 0 50 FFAA COc1ccccc1C(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 65363393 CWQUJLFNWWLKJY-UHFFFAOYSA-N 369.469 2.626 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 2780310 VWXBLOIKULAUNS-UHFFFAOYSA-N 363.771 2.564 0 50 FFAA CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@@H]3CCCO)cc21 253424732 KHUSJWFOCHVUEH-MRXNPFEDSA-N 360.458 2.547 0 50 FFAA CCc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)nc1 77453326 IVQUWJCDSHFJSL-NRFANRHFSA-N 359.514 2.885 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@H]([C@H](C)N)C2)nn1-c1ccccc1F 236926009 BXEXHWKUVDFYAF-KBPBESRZSA-N 359.449 2.558 0 50 FFAA Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)CCN)cc2Cl)n1 237492015 HRDQPNJSXMKDNM-LBPRGKRZSA-N 363.849 2.640 0 50 FFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](Cc1ccccc1)C(C)C 155339939 ZMPDQHMJZPRVBU-SJORKVTESA-N 356.470 2.891 0 50 FFAA O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1n[nH]c(=O)c2ccccc12 123131399 GJCZQQDVUOKNCR-QZTJIDSGSA-N 363.417 2.791 0 50 FFAA Cc1nc(C2CCN(C(=O)CCC3(C)CC3)CC2)cc(N2CCOCC2)n1 72435589 UNFYNPCTUAOLIO-UHFFFAOYSA-N 372.513 2.908 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@H](Cn3ccnc3)C2)cc1 72166554 LIYCLZWJMDKWLK-KRWDZBQOSA-N 351.454 2.990 0 50 FFAA O=C(C[C@H]1CCCC(=O)N1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 377390575 QDRJQRUOGOORSM-MRXNPFEDSA-N 352.438 2.884 0 50 FFAA CCc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 72115855 ABTVEFNCRWIDDJ-UHFFFAOYSA-N 365.481 2.602 0 50 FFAA CCc1ccccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@H]1C(=O)O 72432049 FILCTTDHFPWAOY-IBGZPJMESA-N 370.493 2.927 0 50 FFAA Cc1ccc(-n2nnc(C(=O)N3CCO[C@H](c4ccco4)C3)c2C)cc1 176730748 VFVJIBAJMYJLAM-KRWDZBQOSA-N 352.394 2.691 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCC[C@@H]1c1nc(C(C)C)no1 222405624 RWSAWNIEODTMTM-OAHLLOKOSA-N 373.457 2.992 0 50 FFAA COc1cccc(OCC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1 82145690 PSVOGKRPBUCGGQ-UHFFFAOYSA-N 374.824 2.603 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NC2CCN(Cc3cccnc3)CC2)C1 426548743 IKVPBOWHSXVTMU-IBGZPJMESA-N 360.502 2.647 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)c2cnc(CN3CCCC3)s2)n1 97657152 MTVORUXJGSPHCM-LBPRGKRZSA-N 363.487 2.811 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)ccn1 95369011 SGNRPTIBMVLRNM-IBGZPJMESA-N 363.461 2.923 0 50 FFAA Cc1nc2ccccc2n(CC(=O)N2CC[C@@H]2c2ccc(F)cc2)c1=O 95504063 IQJONHDXQFXXCD-QGZVFWFLSA-N 351.381 2.818 0 50 FFAA CNc1nc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)ncc1F 95382618 KYJHKNXKTIMUMC-AWEZNQCLSA-N 367.432 2.681 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NC(C)(C)Cc3ccc(F)cc3)o2)CC1 97743671 JTNMRCVOUTYDER-UHFFFAOYSA-N 373.472 2.917 0 50 FFAA CSCCc1n[nH]c2c1CN(S(=O)(=O)c1cc(C)cc(C)c1)CC2 23338872 YVIIGBJECFACTK-UHFFFAOYSA-N 365.524 2.679 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCCO[C@H](CN2CCCC2)C1 91906580 TVPRZSJNLXBKGK-OAHLLOKOSA-N 351.516 2.902 0 50 FFAA O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cnc(C2CC2)nc1 97773118 IDLXCRWNYSZPDK-CQSZACIVSA-N 351.328 2.836 0 50 FFAA O=S(=O)(NCc1ccc(C(F)F)cc1)c1cccc2c1OCCO2 183853813 IGVHPTWFSYMGTD-UHFFFAOYSA-N 355.362 2.874 0 50 FFAA CSc1ncc(C(=O)N2CCCN(Cc3ccccc3F)CC2)cn1 257372196 WKEGALIHGTZXSW-UHFFFAOYSA-N 360.458 2.686 0 50 FFAA CCn1nc(C)c(-c2ccc(C(=O)NCc3nnc4n3CCC4)cc2)c1C 534588845 VISLHWGXUGDARO-UHFFFAOYSA-N 364.453 2.655 0 50 FFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cnn3ccn(C)c23)C1 299787693 ZPGMHYRLXMRNEO-MRXNPFEDSA-N 352.438 2.912 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCC([C@@H](O)c2ccccn2)CC1 299772174 ZNMYTLRTENFEEM-GOSISDBHSA-N 355.394 2.788 0 50 FFAA CC(C)(C)C(=O)Nc1ncc(F)c(C=O)c1I 66054371 XCASGYXCQHXWKR-UHFFFAOYSA-N 350.131 2.622 0 50 FFAA in-vitro O=C(c1ccc2c(c1)CCS2(=O)=O)N(Cc1cc(C2CC2)on1)C1CC1 1875404799 VKJNRZXGYCCYBX-UHFFFAOYSA-N 372.446 2.687 0 50 FFAA COc1ccc(S(=O)(=O)N2CCc3cc(C(F)(F)F)cnc32)cc1 1875344634 NSFIDDHQMLOGNR-UHFFFAOYSA-N 358.341 2.860 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CC1 1875369398 LSBGJHPIHMGMAG-CYBMUJFWSA-N 369.248 2.968 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC[C@]2(C3=CCOCC3)COCC[C@@H]12 1076030657 CBSLOQYQRDTSAT-UYAOXDASSA-N 359.470 2.720 0 50 FFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)c2cnc3ccnn3c2C)c1 952868359 LUIPFSZWBBQCDW-UHFFFAOYSA-N 367.409 2.893 0 50 FFAA CC(C)NC(=O)c1ccc(-c2nc(-c3cnc(C4CC4)nc3N)no2)cc1 277858998 DXCWZHMONDMNPZ-UHFFFAOYSA-N 364.409 2.791 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)[C@H]2C1 277903816 BTECPCSFOMTNTD-QPUJVOFHSA-N 374.290 2.565 0 50 FFAA COc1ccccc1-c1nc(C2CCN(CCn3cccn3)CC2)no1 192337409 KWJLQAWAIURPRW-UHFFFAOYSA-N 353.426 2.821 0 50 FFAA CCn1c(N[C@@H]2COc3c(cccc3OC)C2)nc2cc(C(=O)O)cnc21 1506403116 RIJHKLGRYRUIRB-ZDUSSCGKSA-N 368.393 2.574 0 50 FFAA c1cncc(CN2CCCN(c3cc(N4CCCCC4)ncn3)CC2)c1 1506405708 WRFCWAZHPSLIHG-UHFFFAOYSA-N 352.486 2.574 0 50 FFAA Cc1noc(-c2ccc(S(=O)(=O)N3Cc4ccccc4[C@@H](O)C3)o2)c1C 1506411833 LICZJVOHLITDMB-HNNXBMFYSA-N 374.418 2.789 0 50 FFAA Cc1sc2nc(CCNc3ncc(F)c(N(C)C)n3)nc(O)c2c1C 1529095164 MXYFBKZTPBSDDC-UHFFFAOYSA-N 362.434 2.663 0 50 FFAA CSCCC(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1 12583606 MBIPCGHHROFGNM-UHFFFAOYSA-N 352.504 2.784 0 50 FFAA Cc1cccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)c1 15077147 ZPQQCUSDCWFRNY-LJQANCHMSA-N 362.437 2.574 0 50 FFAA O=C(OCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)cs1 16649012 LHRONCOHDWSDIZ-UHFFFAOYSA-N 351.449 2.890 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(CCCc3ccccc3)C2)CC1 19607969 GDPGWLNMOAPUED-HXUWFJFHSA-N 359.514 2.858 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@@H](Oc3ccccn3)C2)n1 19884561 KVLUMVMFJIRJBY-OAHLLOKOSA-N 350.426 2.628 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 219996689 KNROQGRKFOOYKO-GMBSWORKSA-N 360.404 2.791 0 50 FFAA C[C@H]1CN(Cc2cnc(-c3ccco3)nc2)CCN1c1ccc(F)cn1 1857681432 DYEVVCSAEJSZSQ-AWEZNQCLSA-N 353.401 2.981 0 50 FFAA O=C(c1cn2c(n1)CCNCC2)N1CCCCC[C@H]1c1cccc(F)c1 1857718056 LYCOWQZHMXXPNJ-SFHVURJKSA-N 356.445 2.925 0 50 FFAA CN(C)c1nccc([C@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)n1 328628196 NMWNGABLEIDPOW-QGZVFWFLSA-N 352.394 2.503 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)c1C 435955113 PMVCNKCZWXCKMJ-UHFFFAOYSA-N 363.820 2.808 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc(-n2nc(C)cc2C)c1 247903254 BJYZFADMGIYRCB-XLIONFOSSA-N 366.465 2.572 0 50 FFAA O=C(c1ccc(N2CCCC2)nn1)N1CCN[C@H](c2cccc(Cl)c2)C1 374914823 QESQUFMBNWDGHD-KRWDZBQOSA-N 371.872 2.517 0 50 FFAA CCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)O 262108671 KBAOKZVIVIACIS-SECBINFHSA-N 359.753 2.890 0 50 FFAA COc1ccc(OC)c([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1 4387086 IQZJRFIENSLZTC-AWEZNQCLSA-N 351.358 2.986 0 50 FFAA CCS(=O)(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2100543538 UKPWYTBQTMVYRW-HXUWFJFHSA-N 374.506 2.774 0 50 FFAA O=S(=O)(N[C@@H]1C[C@@H]2c3ccccc3CC[C@H]21)c1c[nH]nc1C(F)(F)F 2325794556 HMFYZIZLFPBMCL-JHJVBQTASA-N 371.384 2.825 0 50 FFAA COc1cccc(CN2CC[C@H](NC(=O)c3nccc4[nH]ccc34)C2)c1C 2325812154 ZUCPLCNQMQDHME-INIZCTEOSA-N 364.449 2.884 0 50 FFAA COc1cccc(CN2CC[C@@H](NC(=O)c3nccc4[nH]ccc34)C2)c1C 2325812155 ZUCPLCNQMQDHME-MRXNPFEDSA-N 364.449 2.884 0 50 FFAA Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1N 2325826734 KTBJNIPSSLKAIG-ZDUSSCGKSA-N 371.403 2.888 0 50 FFAA C[C@H](O)c1n[nH]c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)CCC3(C)C)n1 2325851898 LYEUMYXGZVOTME-QWRGUYRKSA-N 356.426 2.603 0 50 FFAA O=C(Nc1ccc(F)cc1)c1ccc(CNC(=O)C2CCNCC2)cc1 237852176 ASDSBTTXGAZRNZ-UHFFFAOYSA-N 355.413 2.694 0 50 FFAA COc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)c2cccnc12 2356145938 YCNUPQWPRYODCY-CYBMUJFWSA-N 361.405 2.524 0 50 FFAA COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1OC 2469396 SWECCHALRRGUER-LBPRGKRZSA-N 371.389 2.958 0 50 FFAA Cc1ccc(C)c(CC(=O)N2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1 2356155976 QAAZECOHZHMXRB-GHTZIAJQSA-N 361.482 2.946 0 50 FFAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1=O 2356170947 WGCQBPASMLVMNN-LJQANCHMSA-N 372.856 2.957 0 50 FFAA CN(C(=O)c1ccc(I)cc1)[C@H]1CCCC[C@H]1O 10543151 NXEWJYOJPNYPON-QWHCGFSZSA-N 359.207 2.667 0 50 FFAA CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 101228699 WJZRGMQEFVAEME-HZPDHXFCSA-N 369.417 2.914 0 50 FFAA CCOCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 67935089 SXIUXBJYEVVCDY-UHFFFAOYSA-N 357.332 2.774 0 50 FFAA O=C(C1CCCCC1)N1CC(c2nc(-c3ccc4nn[nH]c4c3)no2)C1 351464257 PQARQFQUQNZQDB-UHFFFAOYSA-N 352.398 2.514 0 50 FFAA COc1cc(Cl)c(CN2CCN(CC(C)C)[C@H](CCO)C2)cc1OC 104322988 IGIUCFBAEXQMFN-MRXNPFEDSA-N 370.921 2.882 0 50 FFAA CCOc1ccc(S(=O)(=O)c2cn(C)c3cc(F)ccc3c2=O)cc1 67340644 DEUSSODQEXXSHE-UHFFFAOYSA-N 361.394 2.909 0 50 FFAA O=C(N[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 189031862 MUFSPHWLRHMHLI-BBRMVZONSA-N 360.360 2.569 0 50 FFAA Cc1cc(C)cc(NC(=O)NCCNc2cc(-n3cccn3)ncn2)c1 65363517 SMMLCVXFRZREEC-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA Cc1cccc(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c1 11878249 GOXVCKCGHTVJLA-UHFFFAOYSA-N 366.465 2.946 0 50 FFAA C[C@H]1Oc2ccccc2N(CC(=O)N(C)c2nc3ccccc3o2)C1=O 121290232 TVRANMPCUYWODE-GFCCVEGCSA-N 351.362 2.605 0 50 FFAA C[C@H]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)CC12CCCCC2 480196338 DIYRUIROSSZARM-INIZCTEOSA-N 357.502 2.552 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)Nc2ccc(Cl)cc2)ncn1 67604823 LRNITBBQKHBANE-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA O=C(N[C@H]1CCOC1)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 12300213 ROCJVLPSUNVWSY-NSHDSACASA-N 355.316 2.526 0 50 FFAA CN1CCN(Cc2cccc(OCCCCN3CCCCC3)c2)CCC1=O 215459504 AFMMJYVWEUIGAK-UHFFFAOYSA-N 373.541 2.996 0 50 FFAA O=C(CC1(N2CCOCC2)CCCC1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 366058577 JGQSEEDNJTZGEA-MJGOQNOKSA-N 362.514 2.582 0 50 FFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)CCc2ccco2)CC1 328628895 HSUGJLIMLKFXQK-INIZCTEOSA-N 360.458 2.807 0 50 FFAA CC(C)Cn1ncnc1CN(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328646671 SUALYJULODFFJG-CYBMUJFWSA-N 370.423 2.844 0 50 FFAA COc1cnc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cc1O 72154481 MEIOTQSGXWXQLI-KRWDZBQOSA-N 369.465 2.575 0 50 FFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71404247 IWMWJRODQVLMRS-GFCCVEGCSA-N 362.376 2.844 0 50 FFAA COc1ccc(-c2nc(CN3CCC(C(N)=O)CC3)c(C)o2)c(OC)c1C 71439413 FHTBBVDUGODJPP-UHFFFAOYSA-N 373.453 2.673 0 50 FFAA O=C(O)c1ccn(-c2cccc(CNC(=O)c3c(F)cccc3F)c2)n1 369540745 KLOLOBTUTLVMLM-UHFFFAOYSA-N 357.316 2.779 0 50 FFAA O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3cccnc3)c12 36357908 SGJDYGOHTDYTRE-UHFFFAOYSA-N 355.401 2.943 0 50 FFAA COc1ccc(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)c(C)c1C 71589742 GZHKOENRHDIRKH-UHFFFAOYSA-N 360.454 2.595 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1cc[nH]c1C1CC1 376001005 VTZYERRMYWYUNK-HNAYVOBHSA-N 355.486 2.781 0 50 FFAA O=C(c1cccc2nccnc12)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72165086 SOSNVCMMOWLPMF-LJQANCHMSA-N 372.472 2.945 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C(=O)O)c1cccs1 448994283 OLXRVAMWTZYJSH-YJBOKZPZSA-N 372.446 2.526 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCn2cnnc2)CCCN1Cc1ccc(F)cc1 71661819 VRKMOLVHQDKSSI-LJQANCHMSA-N 373.476 2.566 0 50 FFAA Cc1nccn1CC[C@@H](NC(=O)c1cc(CO)ccn1)c1ccccc1 215014705 GTPUTDPWBHTKDW-GOSISDBHSA-N 350.422 2.640 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 238019082 UNCIWMATWHYULM-HZPDHXFCSA-N 361.344 2.848 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C1CCOCC1 238070383 PEMYCTQANMGCPC-GJZGRUSLSA-N 353.365 2.551 0 50 FFAA Cc1nc([C@@H]2CCCN(c3noc(C(C)C)n3)C2)cc(N2CCOCC2)n1 72419768 DSMHFWBUYOWFLE-OAHLLOKOSA-N 372.473 2.512 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2ccc(C)c(OC)c2)n1 289159600 QYQCGKGBKJFJOF-HNNXBMFYSA-N 358.442 2.564 0 50 FFAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N1CCC(=O)NC[C@@H]1C 426389973 WACWOJGCYABNSO-AWEZNQCLSA-N 360.458 2.722 0 50 FFAA Cc1cccn2c(CC(=O)N(C)C[C@H]3Cc4ccccc4CN3C)cnc12 82120879 QPVFOPRFLOUYAZ-HXUWFJFHSA-N 362.477 2.700 0 50 FFAA COc1cccc(N2CCN(Cc3ccc(NC(C)=O)cc3)CC2=O)c1 82166287 UVNYKDFZBXWADY-UHFFFAOYSA-N 353.422 2.502 0 50 FFAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2ncccc2C(N)=O)c1 426612585 HPBVPPZBFVZGSZ-QGZVFWFLSA-N 367.449 2.879 0 50 FFAA CNC[C@H]1CCN(C(=O)CCc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 179008773 AUQVYZLAOUIHTL-HXUWFJFHSA-N 368.525 2.857 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)Nc2ccnn2CC(C)C)CC1 95529596 GKPBFGNCWPSNBA-UHFFFAOYSA-N 356.474 2.592 0 50 FFAA Cn1nccc1CCNC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 96137840 XEIVYILIXBIQBC-SFHVURJKSA-N 358.442 2.732 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 97551397 JCWJJGLETUKVST-CQSZACIVSA-N 351.410 2.611 0 50 FFAA COc1ncc(C(=O)N[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cn1 91616766 PAWHOVZGSFSUTR-NSHDSACASA-N 355.373 2.609 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)no1 91846480 YVCVPDHOCWBNFR-MRXNPFEDSA-N 365.437 2.897 0 50 FFAA O=C(O)c1ccc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)nc1 91877192 MQVCMDZZVUSEFR-QGZVFWFLSA-N 363.421 2.804 0 50 FFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)CCN2CCCCCC2=O)C1 91895994 YPMXLSUEYOCGBS-FQEVSTJZSA-N 350.503 2.737 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccc1F)C2 91645576 YQVHUKURZIXQSB-MAUKXSAKSA-N 367.424 2.526 0 50 FFAA Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 294918753 CLUUZQMGPSYLDU-RDJZCZTQSA-N 357.841 2.570 0 50 FFAA COc1ccccc1N1C[C@H](c2ncnn2-c2ccccc2OC)CC1=O 91807802 QQOOZTOOSZRSOJ-CQSZACIVSA-N 364.405 2.805 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)CCN2CCCCCC2=O)C1 91895989 YPMXLSUEYOCGBS-HXUWFJFHSA-N 350.503 2.737 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)OCc1ccccc1)C2 92046608 JFHMLHAKZDYADZ-PKOBYXMFSA-N 365.433 2.955 0 50 FFAA COc1ccc(CCN2CCC(CN(C)Cc3ncccn3)CC2)cc1 95511213 GBANXXVSROQGGJ-UHFFFAOYSA-N 354.498 2.872 0 50 FFAA O=C(CCN1CCOc2ccc(CO)cc2C1)Nc1ccc2c(c1)CCC2 244691926 JLLSMBAFFMJQBQ-UHFFFAOYSA-N 366.461 2.891 0 50 FFAA CCOc1cccc(CN(C)c2cc([C@H]3C[C@H](N)C3)nc(COC)n2)c1 244811500 SEAWUVXVIAWNMV-WKILWMFISA-N 356.470 2.863 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1ccc(C)n1C)CC2 299395756 LKBYBNZWOSULEE-INIZCTEOSA-N 372.421 2.565 0 50 FFAA O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263616921 LFBRPWJLCNUTJN-KRWDZBQOSA-N 370.359 2.758 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)c1coc(CN2CCOCC2)c1 299787891 YOAFZERSAHQZCN-UHFFFAOYSA-N 369.465 2.511 0 50 FFAA COCc1nc(NCc2c(C)cc(C)nc2OC)cc([C@H]2CCOC2)n1 299801021 VAQPMXMLSDMNMR-AWEZNQCLSA-N 358.442 2.759 0 50 FFAA Fc1cc(C(F)(F)F)ccc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299802611 SVNGWNRVKQHVIL-GJZGRUSLSA-N 356.323 2.782 0 50 FFAA CCn1c(=O)n(CC)c2cc(NC(=O)NCc3cnn(C)c3C)c(C)cc21 299762616 OKQWGRUNHAQYPC-UHFFFAOYSA-N 370.457 2.515 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)NCc2cc(-c3ccco3)on2)no1 584900153 DJTMTPKQHJLMNP-UHFFFAOYSA-N 359.386 2.825 0 50 FFAA CC[C@H](C(=O)NCc1ccccc1-n1ccnc1)N1Cc2ccccc2C1=O 822628994 SCTULONUAWJYBS-LJQANCHMSA-N 374.444 2.923 0 50 FFAA O=C(N1CCCC1)N1CCC(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)CC1 826585142 SWUDSBLKCMUFDS-GOSISDBHSA-N 374.460 2.962 0 50 FFAA O=C(NCCc1noc(-c2ccccc2)n1)N1CCC(c2cc[nH]n2)CC1 584887347 FTAGKRFUGCJMRU-UHFFFAOYSA-N 366.425 2.591 0 50 FFAA CCC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 269760898 CCYXLKAFSUJGAE-UHFFFAOYSA-N 366.252 2.514 0 50 FFAA Oc1nnc(Cl)cc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 872423453 RFOVLWIWQORYGZ-UHFFFAOYSA-N 363.801 2.725 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cnccc3C(F)(F)F)n[nH]c21 1875295830 RZDNMWTXCHCWDD-BDAKNGLRSA-N 354.332 2.776 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cnc(CCC)s1 1875383355 QLZKQBLFFGUQNC-RDTXWAMCSA-N 355.463 2.794 0 50 FFAA OCc1ccc(O[C@H]2CCOC[C@@H]2Nc2ncnc3ccsc23)cc1 1565527859 PJSJBVDYVNGKLJ-HOTGVXAUSA-N 357.435 2.832 0 50 FFAA 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O=C1CCCN1c1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 12002062 LLFJKPZLXLZJJP-UHFFFAOYSA-N 358.463 2.725 0 50 FFAA Cc1ccccc1N1CCN(c2ncccc2CNC[C@@H]2CCOC2)CC1 12304876 ZGUJGEQCUGAQOV-IBGZPJMESA-N 366.509 2.843 0 50 FFAA CCc1nnc(SCC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)o1 12594089 HDHGGEATKRWAQH-MRXNPFEDSA-N 374.510 2.847 0 50 FFAA Cn1c(CN2CCOCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 13691290 XGCXNEPWOLBMBQ-UHFFFAOYSA-N 356.470 2.924 0 50 FFAA CC(C)NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC[C@@H](C)C2)c1=O 14989747 XOHSHEAZJXJXJF-OAHLLOKOSA-N 373.497 2.974 0 50 FFAA CCc1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1S(=O)(=O)NC 16648802 KEJMQMHHONQEND-UHFFFAOYSA-N 374.510 2.850 0 50 FFAA CSCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O 19221630 GGSAOLJCSBTAOS-UXHICEINSA-N 372.534 2.587 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@H]2CCN(C)C2=O)n1 1857675190 NIKQIBYAPATGSS-KRWDZBQOSA-N 353.401 2.895 0 50 FFAA COCCOc1ccc2c(c1)CCOC21CCN(C(=O)C2CCC2)CC1 1857694174 DBABGEXJDUSRAF-UHFFFAOYSA-N 359.466 2.902 0 50 FFAA 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2.771 0 50 FFAA Cc1cc(S(=O)(=O)Nc2cn(Cc3ccccc3)nn2)c(F)cc1F 170609121 FJPPMWRNTVUPOJ-UHFFFAOYSA-N 364.377 2.714 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@@H]3COc4ccccc4C3)CC2)cs1 170789291 UUBPGKGKDFBXRW-KRWDZBQOSA-N 371.506 2.783 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(C3CCCCC3)C2)C12CCOCC2 186465291 GLZUDJWDILUNBO-BHIYHBOVSA-N 364.530 2.731 0 50 FFAA Cc1ccn(C)c1C(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 189110002 GJUDXSAUXRLJDA-IYBDPMFKSA-N 369.465 2.513 0 50 FFAA Cc1cnc2c(S(=O)(=O)N[C@H](C)CN3CCC[C@@H](C)C3)cccc2c1 221923947 DOANCMYCYVZVON-GDBMZVCRSA-N 361.511 2.942 0 50 FFAA CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)nn1 191289822 ZTOXABXDLNJHJR-OAHLLOKOSA-N 360.437 2.568 0 50 FFAA O=S(=O)(c1cc(F)ccc1NCCN1CC=CCC1)C(F)(F)F 225461883 SZGPBEZLYIOSSU-UHFFFAOYSA-N 352.353 2.793 0 50 FFAA COc1ccc(F)cc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704304533 GNDSOFQAYKASMC-PZJWPPBQSA-N 373.424 2.715 0 50 FFAA C[C@H]1CN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@@H](C)O1 12578185 VPSCZJOIYUSASX-PHIMTYICSA-N 352.337 2.781 0 50 FFAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)CC1 14951487 ZXMCDJGHBYHCOL-LJQANCHMSA-N 361.530 2.526 0 50 FFAA O=C(CSc1ccccc1)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 14961245 UEKYIHVDHHYFEX-MRXNPFEDSA-N 358.438 2.835 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1cnccn1 15063989 YBODLDLAYOFTNM-AWEZNQCLSA-N 354.458 2.837 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1OC 15072684 FPEJVYJQJJQJQO-KRWDZBQOSA-N 368.433 2.763 0 50 FFAA COC(=O)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 16667436 GGXOQPBQLOJXJH-BOPFTXTBSA-N 350.374 2.551 0 50 FFAA O=C(NCc1cccnc1N1CCN(c2ccccn2)CC1)C1CCCC1 19110941 OZJDJWYLFBHJGX-UHFFFAOYSA-N 365.481 2.610 0 50 FFAA NS(=O)(=O)c1ccc(CCNCc2c(Cl)cccc2Cl)cc1 19871808 SHIIYHXCBVNWDD-UHFFFAOYSA-N 359.278 2.973 0 50 FFAA Cc1nc(N2CCC(NC(=O)c3ccoc3)CC2)cc(C(F)(F)F)n1 169772262 FCNFTEPLEIGCJA-UHFFFAOYSA-N 354.332 2.796 0 50 FFAA COc1ccccc1-c1ncc(CN2C[C@@H]3CCOC[C@]3(CO)C2)s1 1857669344 NMBQNDNDGHJPLK-IFXJQAMLSA-N 360.479 2.650 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)CCn3nc(C)c(C)c3C)C[C@H]12 1857673545 TZNZKULWJKEMEA-RMXWXBJUSA-N 373.497 2.658 0 50 FFAA CSc1ccc2cc(-c3nccn3CCN3CCOCC3)c(O)nc2c1 1857699326 MYDKSXGVNDYCBD-UHFFFAOYSA-N 370.478 2.858 0 50 FFAA Cc1nn(C)cc1-n1ccnc1-c1cc2ccccc2nc1N1CCOCC1 1857699864 BFSYVCDYPOMVDU-UHFFFAOYSA-N 374.448 2.966 0 50 FFAA CN(CCn1cnc2ccccc21)C(=O)c1cnc(-c2ccncc2)nc1 1857700325 SXPLWVWGVDNZRN-UHFFFAOYSA-N 358.405 2.661 0 50 FFAA CCCCNC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857718586 LQVHDILQNZKUNY-IXDOHACOSA-N 351.878 2.954 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(c3ncnc4ccsc34)C[C@]23CC[C@H]1O3 1857736413 NSPBQDFVWGQNSL-FAYLSGKYSA-N 372.494 2.591 0 50 FFAA COc1ccc2cc([C@H](C)C(=O)N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ccc2c1 1857738244 YOHCOVFNJWMGQV-ITKAJJHTSA-N 368.477 2.930 0 50 FFAA CCc1[nH]nc(C(=O)N[C@@H](CCO)C2CCCCC2)c1Br 331346658 RLWGUQUDSBKSDB-LBPRGKRZSA-N 358.280 2.796 0 50 FFAA CN[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 133516873 KWWKIWHDPGTOSF-JQWIXIFHSA-N 359.239 2.566 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)CCc3cccc(Cl)c3)C[C@@H]12 1704297173 JDRRRYVAJOLNHY-IEBWSBKVSA-N 350.890 2.578 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)Nc3ccc(F)cc3F)C1)CC2 1704303331 GVLSLYOALXFMKH-SFHVURJKSA-N 359.380 2.849 0 50 FFAA Cc1noc(C2CCC(NC(=O)c3n[nH]c(C)c3C(F)(F)F)CC2)n1 2325762870 IRVYAQIRHFBPHT-UHFFFAOYSA-N 357.336 2.885 0 50 FFAA COc1ccc(C(=O)NCCc2nc3ccccc3s2)c2c1CNCC2 2325765877 UJJDMKPKOOZHDM-UHFFFAOYSA-N 367.474 2.923 0 50 FFAA CC(=O)NC[C@H](OC(=O)c1cccc2c1NC(=O)CC2)c1ccccc1 2325783987 RKECJEFXVFVXNX-KRWDZBQOSA-N 352.390 2.606 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N3CCc4cc(CN(C)C)ccc4C3)c2n1 2325803093 POXBIFXRPGJPFC-UHFFFAOYSA-N 363.465 2.606 0 50 FFAA O=C1CCCCCN1CC(=O)N1C[C@H]2CC[C@H]1CN(Cc1ccccc1)C2 2325811586 RGMPJQCHCFBMPE-PMACEKPBSA-N 369.509 2.512 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@@](N)(c3ccccc3)C2)cc1 2325858176 BTABUEIYDANBNS-NRFANRHFSA-N 362.433 2.785 0 50 FFAA O=C(CN1C[C@H](c2ccccc2)CC1=O)NC1C2CC3CC(C2)CC1C3 756546 XVQNUJFDZHBWQU-RBUQQAGCSA-N 352.478 2.943 0 50 FFAA Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)no1 1062494 QXPDNIXMAUZJMG-UHFFFAOYSA-N 363.439 2.800 0 50 FFAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 1115575 JYGSEHQRQPLWMG-SNVBAGLBSA-N 363.211 2.954 0 50 FFAA O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccccc2)cs1 1155062 GMZARLUAUQCOQI-UHFFFAOYSA-N 367.430 2.944 0 50 FFAA COc1cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c(OC)cc1Cl 2857966 JAMWKLISWVDRJC-UHFFFAOYSA-N 371.798 2.856 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)NC[C@@H](O)c1cccc(O)n1 2356155637 KRIMEOSPTAIAQB-QGZVFWFLSA-N 368.389 2.731 0 50 FFAA CC(C)(C)OC(=O)N(CC(=O)O[C@H]1C(=O)OCC1(C)C)c1ccccc1 225690259 DZXYLJCAQIQCAS-HNNXBMFYSA-N 363.410 2.923 0 50 FFAA CCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 6690913 XWELKBVSXPYNGL-UHFFFAOYSA-N 368.499 2.910 0 50 FFAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101678775 IWJKHKSYGDAMQI-CWRNSKLLSA-N 369.852 2.892 0 50 FFAA O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 249738401 WZCCSOZXRLZDKR-ZBFHGGJFSA-N 374.378 3.000 0 50 FFAA CCC(=O)C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 77341294 CKNXEUZDIRPPED-IBGZPJMESA-N 364.445 2.761 0 50 FFAA COc1ccc([C@H]2CC(=O)NCc3nc(N4CCCC4)sc32)c(O)c1 65385077 HVZRZBMURIBGGN-CYBMUJFWSA-N 359.451 2.609 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc3ccccc3n2)C[C@@H](C)O1 229687600 SLHVUEMHMODGQL-SOLBZPMBSA-N 353.466 2.949 0 50 FFAA NC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)s1 331876392 UMEQLYDBPMVHEG-QMMMGPOBSA-N 372.372 2.609 0 50 FFAA CCCOC(=O)N1CCC2(CC1)CN(CC[C@@H](C)SC)CCN2C 67934499 DDXAIFZFNGOFMP-MRXNPFEDSA-N 357.564 2.757 0 50 FFAA O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NC(=O)NC1CCCCC1 252550361 SLRKJCSCQFDPJA-RCCFBDPRSA-N 365.518 2.551 0 50 FFAA CN(c1ncccc1C(=O)N1CCC2(CC1)CNC(=O)C2)C1CCCCC1 65433957 FLTSIKIYBHSXIK-UHFFFAOYSA-N 370.497 2.593 0 50 FFAA Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1-c1ccc(Cl)cc1F 172794402 FTJWLDJQKAQTSN-UHFFFAOYSA-N 365.840 2.534 0 50 FFAA CCN1CCC[C@@H](CN(C)Cc2ncnn2CC(C)C)[C@@H]1c1cnn(C)c1 328636861 OHIVSEXMRFNVOS-FXAWDEMLSA-N 373.549 2.573 0 50 FFAA CCOC(=O)[C@@H]1C(=O)N(C(=O)c2ccc(OC)cc2)C[C@@H]1c1ccccc1 1230459 VOXWPPFAFMCDST-MSOLQXFVSA-N 367.401 2.641 0 50 FFAA COc1ccc(CNC(=O)CCN2CCN(c3cccc(C)c3)CC2)cc1 72794024 SVXYVTMUJGRQSF-UHFFFAOYSA-N 367.493 2.832 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCN(Cc3cnc(N4CCCC4)nc3)C2)cc1 72412290 JFGKESCSAQSYQS-KRWDZBQOSA-N 366.465 2.840 0 50 FFAA COCCn1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cn1 283649699 WULXDOMIJUAOPJ-XJKSGUPXSA-N 366.824 2.677 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 72138725 FLBDALBPCPIKPL-OAHLLOKOSA-N 363.845 2.656 0 50 FFAA O=C(CCc1cccc2c1OCO2)N1CC[C@@](O)(c2ccc(F)cc2)C1 364219049 QWHXWCSDIVVHPR-FQEVSTJZSA-N 357.381 2.607 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCOc2c(F)cccc21 155128554 PYEJTKNHZXJBOP-QGZVFWFLSA-N 356.397 2.894 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCCN(CCCc2ccccc2)CC1 77304102 URDZHBXJWZTZLP-UHFFFAOYSA-N 363.465 2.510 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 236626374 YNWOZNCOWPQLRG-IBGZPJMESA-N 369.465 2.737 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2CC[C@H]2NC2CCOCC2)cc1Cl 72133744 KBJBLJYIIYXHJX-CVEARBPZSA-N 352.862 2.768 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)c1cccc([C@@H]2CCOC2)c1 262929354 FVMCAAZOOGDUKH-MJGOQNOKSA-N 367.401 2.681 0 50 FFAA CCCn1c(S)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 17075325 UEZPHJYTLUOZFO-CYBMUJFWSA-N 366.512 2.545 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(c4ncccc4C(N)=O)C3)C2)c1 72143316 YMBYFUPRUVWWLP-JOCHJYFZSA-N 364.493 2.981 0 50 FFAA CN1C[C@]2(CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)CC2)OC1=O 72150600 DXSKEBBQSVBTBF-QGZVFWFLSA-N 360.439 2.585 0 50 FFAA Cc1ncc2c(c1CNC(=O)Cc1c(C)[nH]c3c(F)cccc13)CCNC2 72419643 NTDJXSWBQXNPNA-UHFFFAOYSA-N 366.440 2.823 0 50 FFAA CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCCN(C(C)=O)C1 175269564 HHPSHJVHKUSQLZ-NHCUHLMSSA-N 371.525 2.616 0 50 FFAA COc1ccc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)o1 82083356 WYJNWHXCWDXROP-UHFFFAOYSA-N 372.469 2.953 0 50 FFAA O=C(CCC(=O)N1CCCCCC1)NCc1ccccc1-n1cccn1 222419607 YTSRVHPAHDYQHN-UHFFFAOYSA-N 354.454 2.671 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCC(=O)N3CCCC3)cc2)c(F)c1 426386980 AJUZDWOOQBGLMS-UHFFFAOYSA-N 356.397 2.854 0 50 FFAA CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 222742812 GNLNMEJKWWBJBM-NRFANRHFSA-N 368.481 2.631 0 50 FFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)[C@H]1CC(=O)OC12CCCCC2 426580652 FKAMBERGGGXZSQ-CQSZACIVSA-N 369.421 2.560 0 50 FFAA CCC1=NO[C@@H](CNC(=O)c2ccc(-c3ccc(C(=O)NC)o3)cc2)C1 426399115 YLUHIMOXWZIFIK-OAHLLOKOSA-N 355.394 2.591 0 50 FFAA OCCn1nc(Cc2cccs2)nc1[C@@H](c1cccnc1)N1CCCC1 96166475 RZLGKKAVZNPGOD-GOSISDBHSA-N 369.494 2.503 0 50 FFAA O=C(NCCCn1ccc2ccccc21)c1coc(CN2CCOCC2)c1 97819621 VQBCSYNIPIGQLQ-UHFFFAOYSA-N 367.449 2.887 0 50 FFAA O=C(NCCN1CCCc2ccccc21)N1CCC[C@@H](Cn2ccnc2)C1 426550382 HKGYIEMOTDXEOK-SFHVURJKSA-N 367.497 2.758 0 50 FFAA COCc1noc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN3C)n1 95501780 SXIZHPNJRYPDAT-QGZVFWFLSA-N 356.470 2.670 0 50 FFAA O=C1N[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)Cc2ccccc21 97698942 VZELDDWKTTUXSM-MRXNPFEDSA-N 362.351 2.719 0 50 FFAA Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)cc1 180834208 QARLGQQMMYPDRS-UHFFFAOYSA-N 372.856 2.711 0 50 FFAA C[C@H](c1ccc(-c2nc3c(cc2C(N)=O)CCC3)cc1)N1CCOCC1 97696401 KWQAZCDNFMIXOE-CQSZACIVSA-N 351.450 2.729 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cc(C(C)C)no1)CC2 95505442 UPUVHYYLSOMRRJ-UHFFFAOYSA-N 371.485 2.807 0 50 FFAA Cn1nc(C(C)(C)C)cc1NC(=O)NCCCc1nnc2ccccn12 96161833 RHAMDHDRSDLTEY-UHFFFAOYSA-N 355.446 2.515 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1 91441353 YMQMQUQSCJAHTJ-CYBMUJFWSA-N 363.845 2.908 0 50 FFAA O=C(Cn1ccc2ccccc21)NCc1nncn1CCc1ccccc1 244778648 PUHBRBBFRSDUEJ-UHFFFAOYSA-N 359.433 2.792 0 50 FFAA CCc1ccc(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)s1 252479862 BOEJDEVVNJYQBR-UHFFFAOYSA-N 368.499 2.956 0 50 FFAA NC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)n[nH]c1Cc1ccccc1 252492503 MOABVBPJOQPDHE-ZDUSSCGKSA-N 357.360 2.992 0 50 FFAA Cc1c(NC(=O)CN(C/C=C/c2ccccc2)C[C@@H]2CCCO2)cnn1C 252509262 YIQVCPBKXKTMAG-IUYMFKLXSA-N 368.481 2.861 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCC[C@@H](c2nc3c(C)cccc3[nH]2)C1 252483762 FHZADLKYIVALOE-OAHLLOKOSA-N 366.469 2.731 0 50 FFAA CN(CCCCN1CCOCC1)C(=O)c1cccc(-c2ccc(O)cn2)c1 534587289 VMHXSSHFKAIIBZ-UHFFFAOYSA-N 369.465 2.639 0 50 FFAA CN(Cc1nc2c(s1)CCCC2)C(=O)CCn1nnc2ccccc21 299772128 ZQAGUXIXZACLMA-UHFFFAOYSA-N 355.467 2.815 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1cccc2ncccc12 299761974 STDYJZXPTXLTAH-CYBMUJFWSA-N 354.414 2.746 0 50 FFAA COCc1c(C(=O)N(C)CC(C)C)cnn1-c1nccc(-c2ccco2)n1 299772065 YRDLLFAWVYHBJU-UHFFFAOYSA-N 369.425 2.797 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)CCN3CCCCCC3=O)nc2c1C 299760239 OZVMNXKABYZTIW-UHFFFAOYSA-N 356.470 2.631 0 50 FFAA CC(=O)N1CCC2(CC1)CN(Cc1cnc(C3CCCCC3)nc1)CCO2 820569315 BLFRCYUFCDCCMT-UHFFFAOYSA-N 372.513 2.738 0 50 FFAA COCCC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)C1 584894657 YGKXRDGQWNSBAA-QGZVFWFLSA-N 361.486 2.737 0 50 FFAA CCCN1C[C@H](NC(=O)c2cccc(-c3ccccc3C(=O)O)c2)CC1=O 584901973 VCAQRDJZDMMRBF-MRXNPFEDSA-N 366.417 2.793 0 50 FFAA NCc1cccc(CCC(=O)N[C@H](Cc2ccccn2)c2ccccn2)c1 1875340711 ODUMQDKWVAHDLI-OAQYLSRUSA-N 360.461 2.968 0 50 FFAA CC1(N2CCC2)CCC(Nc2ncc(S(C)(=O)=O)cc2Cl)CC1 1875392311 QDYDBHQANBEWBD-UHFFFAOYSA-N 357.907 2.957 0 50 FFAA Cc1nc2c(C(=O)NC[C@H]3CCN3C(=O)C(C)(C)C3CC3)cccc2o1 1875346188 WFMCSGHCDHWQOQ-CQSZACIVSA-N 355.438 2.903 0 50 FFAA Cc1cc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2C)nc(C)n1 952845298 VUDLZADNATXNLP-LJQANCHMSA-N 366.465 2.713 0 50 FFAA Cc1nc(N2CCN(c3cccnc3)C(=O)C2)c2c(C)c(C)sc2n1 1875261105 AFYWXDVTXYRSHX-UHFFFAOYSA-N 353.451 2.865 0 50 FFAA COc1ccc([C@H](O)CNC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 1875259859 UVBJFCBGXJWMMG-MRXNPFEDSA-N 373.409 2.517 0 50 FFAA CCc1nc2cc(NC(=O)CC[C@H](C)N3CCN(C)CC3)ccc2n1CC 952966197 VUTOJQCIBNLNNF-INIZCTEOSA-N 371.529 2.973 0 50 FFAA Cc1ccc([C@@H](O)CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886068665 HGCIZYJWLZENND-SFTDATJTSA-N 355.482 2.638 0 50 FFAA c1cncc(-c2nc3c(c(N4CCC[C@@H](n5ccnn5)CC4)n2)CCC3)c1 895106438 WRFUNKNIWQXXFJ-MRXNPFEDSA-N 361.453 2.850 0 50 FFAA Cc1conc1CNC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1347291361 DNIMSVHXVFVOSF-UZLBHIALSA-N 369.421 2.648 0 50 FFAA CNC(=O)[C@@H]1CCCCN1Cc1ccc(OCc2ccccc2F)nc1 186923140 KFAIRWUTSQOSCA-SFHVURJKSA-N 357.429 2.900 0 50 FFAA CCCN(CC)c1ccc(C(=O)OC2CCN(c3cccnn3)CC2)cn1 170617211 PRTUSLGOVAPMLD-UHFFFAOYSA-N 369.469 2.934 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1NC(=O)N(c2ccncc2)C1=O 170613805 HOWVCAYGTKBKSG-KRWDZBQOSA-N 365.368 2.821 0 50 FFAA CN(C(=O)Nc1cnns1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 194328473 PUAGGURRWYZLOO-PWSUYJOCSA-N 359.238 2.967 0 50 FFAA CCOc1ccccc1-c1nnc(NC(=O)[C@@H]2CC(=O)OC23CCCC3)o1 1506396571 KAJWJXQLCXRCSN-ZDUSSCGKSA-N 371.393 2.950 0 50 FFAA O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1Cc1ccncc1 1529153544 FOJOTEJFSVTDFI-IRLDBZIGSA-N 351.494 2.581 0 50 FFAA CCCC[C@H]1CN(c2cc(C(=O)N3CCOCC3)ccn2)C[C@@H](C2CC2)O1 1613881951 NCSUOZNQMRMBHG-OALUTQOASA-N 373.497 2.728 0 50 FFAA CN1C[C@@H](CN2CCCN(c3nc4ccccc4s3)CC2)CCC1=O 1772811187 RFKUTLYGCZPCFA-HNNXBMFYSA-N 358.511 2.677 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 11753634 XTYQMMSWSNQPBY-HNNXBMFYSA-N 374.481 2.862 0 50 FFAA O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCOCC2)c1 12138345 YOSSXEWLYMLECO-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA CCc1nnc(NC(=O)CN2CCN(c3ccc(C)cc3)[C@@H](C)C2)s1 13320268 FEFLERLYXDGFHB-AWEZNQCLSA-N 359.499 2.558 0 50 FFAA CCCOc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O 13618388 SBDCRYKVBOPIPT-VBKFSLOCSA-N 364.430 2.550 0 50 FFAA Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccnc1)S(C)(=O)=O 13678189 ALRPHHQXNYNZPA-GFCCVEGCSA-N 367.858 2.837 0 50 FFAA Cc1cc(O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc(C)c1Cl 13745036 BDSUCHYWANLMHK-OAHLLOKOSA-N 374.872 2.863 0 50 FFAA Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NC(C)(C)C 18116180 UFWWSZUSANDODE-UHFFFAOYSA-N 371.462 2.975 0 50 FFAA O=C1c2ccccc2C(=O)N1CSc1nnc2c(n1)[nH]c1ccccc12 18286280 HAQSUSMQMQGVAI-UHFFFAOYSA-N 361.386 2.852 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)Cc3nc(C)c[nH]3)nc2)n1 19852994 SBNDYQLAHPIXCE-UHFFFAOYSA-N 370.482 2.698 0 50 FFAA Cc1ccccc1CN1CCC2(CC1)CN(Cc1ncc[nH]1)C[C@H]2C(=O)O 1857685057 NYUKOLMEJZXLEQ-SFHVURJKSA-N 368.481 2.517 0 50 FFAA Cc1cnn([C@@H](C)C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)c1 1857700330 TVICPVZXRVJXNB-INIZCTEOSA-N 363.465 2.780 0 50 FFAA CCCC(=O)N1C[C@@H]2[C@H](CNC(=O)c3c(C)cccc3F)[C@H]3CC[C@]2(C1)O3 1857735203 MPMBRCXJHSEZHR-GYQJYAJYSA-N 374.456 2.670 0 50 FFAA Cc1c(C(N)=O)sc2ncn(CCCCOc3ccccc3)c(=O)c12 5010546 SHJHKQCFVWXOHF-UHFFFAOYSA-N 357.435 2.725 0 50 FFAA CN(CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1)c1ccccc1 247971154 HRFGIHJJGSONAZ-MSOLQXFVSA-N 356.397 2.589 0 50 FFAA COC1(CNC(=O)c2ccnc(OCc3ccccc3)c2)CCOCC1 154890355 SHTBCPNQFZJKMK-UHFFFAOYSA-N 356.422 2.586 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 156277685 MNHVMPKJTVEHIP-GOSISDBHSA-N 361.401 2.917 0 50 FFAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1csc(Cc2ccccc2)n1 263160053 IGYMDATVIWUFKE-UKRRQHHQSA-N 358.463 2.988 0 50 FFAA C[C@@]1(C(=O)O)CCN([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263572496 LACVMNHJMVXEIX-XJKSGUPXSA-N 357.237 2.895 0 50 FFAA Cn1c(=O)n(C)c2cc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)ccc21 1164755 WBBSMYZOQLWRAE-NTEUORMPSA-N 367.792 2.875 0 50 FFAA C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)CCCC(=O)Nc1ccccc1 2325739219 XAYBNBVRYMTNIF-MRXNPFEDSA-N 370.449 2.824 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1occc1-c1ccc(F)cc1 2325785493 BGTIHANSGKLDEP-FSPWUOQZSA-N 369.396 2.852 0 50 FFAA Cc1cncc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)c3ncccc3C)C2)c1 2325786966 NZKHFLSCOMPRJA-SJORKVTESA-N 366.465 2.764 0 50 FFAA OC[C@H]1CNCCN(Cc2cc3c(Br)cccc3s2)C1 2325787352 VFAMEDTVLINXMR-NSHDSACASA-N 355.301 2.678 0 50 FFAA C[C@@H](OC(=O)c1cc2c(cc1Cl)OCO2)c1nnnn1-c1ccccc1 2325820626 PMADDZSNPAOZJE-SNVBAGLBSA-N 372.768 2.962 0 50 FFAA CNC(=O)Nc1ccc(Cl)c(C(=O)NOCCOc2ccccc2)c1 2325866567 PVZPZBNXWRHWMG-UHFFFAOYSA-N 363.801 2.832 0 50 FFAA NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1 794320 WHFRUEXGTOWUTH-LLVKDONJSA-N 362.788 2.896 0 50 FFAA CC(C)[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)O 2983312 UODHKQUGRPVOKE-FDWYHIAWSA-N 366.417 2.683 0 50 FFAA biogenic O=C(c1ccc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)nc1)N1CCCCC1 2356158682 VDNJRXCLWKSAFT-OAQYLSRUSA-N 365.481 2.915 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 3908370 PRAOIXUBXVGLGP-UHFFFAOYSA-N 353.378 2.906 0 50 FFAA O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1ccc(Br)cc1 247419856 YWWHZSKKCNIJRC-KGLIPLIRSA-N 371.300 2.594 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@@H](C)O)c(C(C)C)cc1Br 54363453 GDTHJJISIFCUJT-SNVBAGLBSA-N 350.278 2.540 0 50 FFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc(OC)c(OC)c1 247911270 KIPWZZHLFXWYPZ-OAGGEKHMSA-N 361.438 2.579 0 50 FFAA CC(C)(C)c1[nH]nc2c1CN(C(=O)[C@H](N)Cc1c[nH]c3ccccc13)CC2 23340043 JJTRBIYGTGGXAK-MRXNPFEDSA-N 365.481 2.643 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cnn(C(C)C)c2)C[C@H]1CCO 104530541 SERTYKJSMHXXFJ-OAQYLSRUSA-N 356.514 2.841 0 50 FFAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 65365570 LWUIWHZHSWGHLZ-OAHLLOKOSA-N 366.527 2.531 0 50 FFAA Cn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2ccccc21 100602526 QLDNBIVVQAXUGG-UHFFFAOYSA-N 352.434 2.943 0 50 FFAA Cc1c(C(=O)O)sc2ncnc(N(C)CCc3noc(C(C)C)n3)c12 67726321 UAXVGZSTGLPLQB-UHFFFAOYSA-N 361.427 2.883 0 50 FFAA C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 117747210 XCWJFHHMYVFRPD-PBHICJAKSA-N 354.406 2.984 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Cl 10544062 DDVDIJUTCFZIKD-ZIAGYGMSSA-N 374.934 2.995 0 50 FFAA O=C1CCN(C2Cc3ccccc3C2)CCN1CCOc1ccccc1 20601137 SPKYEVSULFOZSC-UHFFFAOYSA-N 350.462 2.767 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCCOc3c(cccc3OC)C2)c1C 65393849 NKYOYVZFJVVHKB-UHFFFAOYSA-N 372.469 2.752 0 50 FFAA O=C(O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 12336760 QZLGYHOJUHNZKB-DNVCBOLYSA-N 353.374 2.980 0 50 FFAA O=C(CC1(n2cccc2)CCOCC1)Nc1n[nH]c(-c2ccccc2)n1 409413068 BDNTZKFFMPXRJH-UHFFFAOYSA-N 351.410 2.808 0 50 FFAA Cc1cc(CC(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)n[nH]1 331675057 VGUIAEPSNJIYTI-LLVKDONJSA-N 357.336 2.502 0 50 FFAA O=C(NCc1ccncn1)c1coc(COc2ccc(F)cc2Cl)n1 11759423 JNSCMCSUDKRFPK-UHFFFAOYSA-N 362.748 2.766 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)CC[C@H]1CCOC1)CC2 328628452 HGWFXFKZBLZCFB-HOTGVXAUSA-N 363.527 2.773 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)cn1 329011288 DPQCGRAVDJMZMJ-GOSISDBHSA-N 365.437 2.734 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCN(c2cnccn2)CC1 173372714 KXCASIUJEZPZNU-UHFFFAOYSA-N 357.483 2.862 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 72409545 GOCYTSDXWCMJJI-ZDUSSCGKSA-N 362.476 2.717 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)O)C1 71756818 RBTHZCASVCXSNS-OAQYLSRUSA-N 369.465 2.895 0 50 FFAA COc1cc([C@H](C)NCc2cccnc2N2CCN(C)CC2)ccc1F 153264377 FCTPIOPEVGKAJN-HNNXBMFYSA-N 358.461 2.832 0 50 FFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccn(C)c2=O)cc1 77436891 ORIKLHMMJHKNMS-LJQANCHMSA-N 353.466 2.814 0 50 FFAA OC1(Cc2cccc(F)c2)CC(N[C@@H](c2cccnc2)c2ncc[nH]2)C1 366428283 IQZFDHCIMNAVDA-FDYSRKEFSA-N 352.413 2.759 0 50 FFAA CCCCNC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 77504285 NWDAZSPBYPFBAM-HXUWFJFHSA-N 358.486 2.796 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)s1 77321710 IEMAEXVYAJKNTC-AWEZNQCLSA-N 356.513 2.612 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CC[C@H]2CCCC[C@H]2C1 245263528 AMZVZILIFOEPQD-OWCLPIDISA-N 370.449 2.807 0 50 FFAA O=C(CCCc1cn[nH]c1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71523829 UMNVCVPSARWRMA-KSEOMHKRSA-N 364.493 2.821 0 50 FFAA Cn1ncc2c(N3CCN[C@H](c4ccccc4)C3)nc(-c3ccncc3)nc21 72476900 IUABAPJJQSMFBC-SFHVURJKSA-N 371.448 2.576 0 50 FFAA c1ccc(CN2CCC[C@H](n3ccnc3-c3cc4n(n3)CCNC4)C2)cc1 72419877 STDXSNZVNFIBHA-SFHVURJKSA-N 362.481 2.687 0 50 FFAA O=C(O)C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccc(F)cc1 238149225 VYDRSUBYBXGVTK-LSDHHAIUSA-N 374.343 2.723 0 50 FFAA CN(CCc1ccccc1)Cc1cc2n(n1)CCCN(C[C@@H]1CCOC1)C2 72166314 LTXRBEKFEVCBRE-FQEVSTJZSA-N 368.525 2.800 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[C@]4(C(=O)O)C3)cc2)n1 374119269 JKCLIQDQRAAGOO-UZLBHIALSA-N 353.422 2.816 0 50 FFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1C[C@@]12CCc1ccccc12 175126179 OHOVBYLHLODICV-WAOWUJCRSA-N 367.470 2.925 0 50 FFAA O=S(=O)(c1ccc(F)c(F)c1)N1CCN(CCc2ccccc2)CC1 35904244 YPMHTKABKTURDW-UHFFFAOYSA-N 366.433 2.514 0 50 FFAA COC(=O)c1cccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)c1 184108489 ADJKEAOMBRAYNR-UHFFFAOYSA-N 354.406 2.989 0 50 FFAA Cc1cc(C)cc(N2CCN(c3ccnc(C(=O)NC(C)C)c3)CC2=O)c1 72161190 RVESHDIWFKIMDK-UHFFFAOYSA-N 366.465 2.690 0 50 FFAA Cc1cc(C)n(-c2cccc(CN3CCCN(c4ncccn4)CC3)c2)n1 215013095 SMVDKNXLWVATMY-UHFFFAOYSA-N 362.481 2.991 0 50 FFAA Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 72119507 IVRKMXJXTUCTTI-MRXNPFEDSA-N 363.483 2.610 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)CN(C)Cc2ccncc2)CC1 77426141 NLWOCSHZPWWHHP-UHFFFAOYSA-N 353.466 2.892 0 50 FFAA CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCc3cnccc32)cc1Cl 176738228 QXPJHCMPHGZQNE-UHFFFAOYSA-N 369.805 2.584 0 50 FFAA O=C(c1ccccc1F)N1CCc2ncnc(N3CCCCC3)c2CC1 72469628 IZPMMQKRMYFRPM-UHFFFAOYSA-N 354.429 2.847 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@@H]3CCN(CCOC)C3)cc(C)cc2c1C 71749138 RZBOVZDSJKXASG-MRXNPFEDSA-N 357.498 2.932 0 50 FFAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1cn(C)nc1C(F)(F)F 288877751 OKWKGCMZWBSCTN-ZANVPECISA-N 354.332 2.760 0 50 FFAA COc1ccc(Br)c2c1C(=O)[C@@H]1C(=O)C[C@H](CC(=O)O)C[C@@H]21 226860224 PZLSSMOJWFTVMP-KXEKKFMESA-N 367.195 2.808 0 50 FFAA CCCOc1cccc(C(=O)Nn2c(S)nc3ccccc3c2=O)c1 17073467 PVKCJNKNXCWYCH-UHFFFAOYSA-N 355.419 2.858 0 50 FFAA CC(C)c1nnc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)s1 44893661 NIWRMCUJFCDODW-UHFFFAOYSA-N 355.423 2.524 0 50 FFAA OCC1CCN([C@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)CC1 19340485 XPDRIDKVJPAPEN-IBGZPJMESA-N 372.488 2.680 0 50 FFAA CCCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)[C@H]1CCNC1 178894788 SNQFDUDRFVDHAM-INIZCTEOSA-N 355.486 2.913 0 50 FFAA CCn1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cn1 91819171 NNMIWLZUWNJAFE-INIZCTEOSA-N 364.453 2.563 0 50 FFAA O=C(CCc1ccc(F)cc1F)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95506977 DVSNSURYFZXRGS-DYESRHJHSA-N 373.399 2.895 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 426503040 CPFIBSGNQQJVJP-KRWDZBQOSA-N 367.457 2.638 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)cn1 95367182 MIDZIIUAKRACKB-MRXNPFEDSA-N 368.485 2.925 0 50 FFAA O=C(CCN1CCCC1=O)NC[C@H](O)c1cccc(Oc2ccccc2)c1 97694598 BPIHFBMJHKGNMD-IBGZPJMESA-N 368.433 2.641 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1C 97213054 SDLFJQNGKXPJDQ-RMKNXTFCSA-N 352.482 2.817 0 50 FFAA Cc1ccsc1CNc1cccc(C(=O)NCc2cc(=O)[nH]cn2)c1 23506553 GOTTUYVSKMRWIU-UHFFFAOYSA-N 354.435 2.682 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)Cc1csc(C(C)=O)c1)C2 95502736 MRNJQCAECLEQFY-CQSZACIVSA-N 359.447 2.869 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CCc4onc(C(=O)N(C)C)c4C3)c(C)c2c1 91586619 APGYIGYHOCAEPP-UHFFFAOYSA-N 366.421 2.673 0 50 FFAA C[C@@H](C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1 91665444 BGGSDJOFVYIFMQ-HNNXBMFYSA-N 373.526 2.578 0 50 FFAA O=C1NC2(CCN(C(=O)COc3ccccc3)CC2)C[C@H]1c1ccccc1 95375104 YMCXTTGKDSNINQ-IBGZPJMESA-N 364.445 2.730 0 50 FFAA CCCn1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c(C)n1 240936879 SFGZPQOJTBVUMQ-QKLQHJQFSA-N 369.465 2.778 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)[C@H]1CC[C@@H](O)CC1 244882543 XTUKGHXGWUTXHC-HYILBPMCSA-N 354.450 2.714 0 50 FFAA O=C(Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1)[C@@H]1COCCO1 864096409 CXZWWQQXTUBZMI-KRWDZBQOSA-N 355.369 2.647 0 50 FFAA CCn1nc(-c2ccc(C(=O)NCCc3ccc(C)o3)cc2)nc1N(C)C 534574509 QYROIHJWINJGGF-UHFFFAOYSA-N 367.453 2.905 0 50 FFAA CCc1c(OCC(=O)Nc2cc(Cl)ccc2OC)c(=O)ccn1C 263586999 AWSXTIGXZSZJKX-UHFFFAOYSA-N 350.802 2.627 0 50 FFAA Cc1ccc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cc1OCCCN 299788389 OXHOVGWCBNOVBH-JOCHJYFZSA-N 368.477 2.765 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNC(=O)c3sccc3Cl)cc2C1 299800000 XNNLUBQXYOBFSY-UHFFFAOYSA-N 366.874 2.526 0 50 FFAA Cc1nccn1CCC(=O)N1CCN(c2nsc3ccccc23)CC1 299785660 REGFCBHLMALWPZ-UHFFFAOYSA-N 355.467 2.540 0 50 FFAA CC(C)(C)c1cc(C(=O)NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)nc(O)n1 299783648 WTDINYBKYHRRJZ-KLXDDXCJSA-N 373.497 2.787 0 50 FFAA Cc1cccc(N2CCC(NS(=O)(=O)CCOc3ccccc3)CC2)c1 825218743 QDGHLJREVHKOHL-UHFFFAOYSA-N 374.506 2.962 0 50 FFAA CCc1nc(C)sc1CNC(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 584897356 CCJLNLGJVLYMJN-KRWDZBQOSA-N 366.487 2.530 0 50 FFAA CNC(=O)[C@H]1C[C@H](C)CN(C(=O)NCCc2ccccc2C(F)(F)F)C1 1875288742 APIKXVFJJVBTAL-JSGCOSHPSA-N 371.403 2.662 0 50 FFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCc3cc(O)ccc3C2)CC1=O 1875317888 LZWVUFNKQDFZHI-BEFAXECRSA-N 364.445 2.887 0 50 FFAA Cc1nc(C2CC2)oc1C(=O)NC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 886082027 VWUVBVXMOMXXSF-PBHICJAKSA-N 358.442 2.718 0 50 FFAA Cc1cccc(C)c1N1CCN(Cc2nnc([C@H]3CCCOC3)o2)CC1 886082315 WUIIHWHJJDUIGT-KRWDZBQOSA-N 356.470 2.903 0 50 FFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)c3ccc(F)cc3)C[C@@H]21 1565506505 HIIMAHKMEFTZCT-JXFKEZNVSA-N 371.364 2.537 0 50 FFAA O=C(c1nc(C2CC2)n(-c2ccccc2)n1)N1C[C@@H](CO)c2ccccc21 1324602886 VZBSMXWPJRBNAQ-HNNXBMFYSA-N 360.417 2.881 0 50 FFAA O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC[C@@]12CCOC2=O 186524844 IEYJWXJRAHSPMN-SFHVURJKSA-N 359.813 2.507 0 50 FFAA O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCC[C@]12CCOC2=O 186524865 IEYJWXJRAHSPMN-GOSISDBHSA-N 359.813 2.507 0 50 FFAA COc1ccc(C[C@@H](C)CN2CCN(C(=O)c3cccnc3)CC2)cc1F 170595434 BVWKZHYTNKUZGR-MRXNPFEDSA-N 371.456 2.866 0 50 FFAA CCc1cc2c(CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc(=O)oc2cc1O 408512868 BDUTXTKXNRRFAI-CXAGYDPISA-N 371.355 2.949 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)COC3CCCCC3)CC2)oc1C 111155318 ZMFFCYJQHRFMFE-UHFFFAOYSA-N 363.502 2.969 0 50 FFAA CO[C@@](C)(C(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F 192247653 NUJMFOSMCLPLTQ-BFUOFWGJSA-N 360.433 2.533 0 50 FFAA O=S(=O)(Nc1nnc(CC2CCCCC2)o1)c1ccc2c(c1)CCO2 194897941 TZFXRGSUHLMRMK-UHFFFAOYSA-N 363.439 2.928 0 50 FFAA O=C(Nc1cnn(C(F)F)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 791850105 IMCQLTKVZZWASU-GASCZTMLSA-N 361.396 2.874 0 50 FFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 1506397118 QAWWIIJZOMYMLO-OAHLLOKOSA-N 370.453 2.887 0 50 FFAA O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12073723 UFVUQMBKBAUOPU-NRFANRHFSA-N 369.440 2.587 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(C[C@H]4CCOC4)CC3)on2)c1 12094317 HEVYTLQDKMVKDQ-MRXNPFEDSA-N 372.465 2.756 0 50 FFAA Cc1ccccc1OC1CCN(C[C@@]2(O)CCCN(CC3CC3)C2=O)CC1 12702458 AEVHIWAZXMEOBM-QFIPXVFZSA-N 372.509 2.602 0 50 FFAA CC[C@@H]1CN(CC(=O)NCCc2ccco2)Cc2cc(OC)ccc2O1 15003669 JCKUFASSSXKSSP-MRXNPFEDSA-N 358.438 2.620 0 50 FFAA Fc1ccc(CN2CCN(c3ncccn3)CC2)cc1Br 19537384 ZYAWVUSDVIQOCZ-UHFFFAOYSA-N 351.223 2.700 0 50 FFAA Cc1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4ccccc34)C2)sc1C 169772763 ZXMRPLXISMEKKQ-NSHDSACASA-N 355.423 2.628 0 50 FFAA CC(C)n1c(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)nc2ccccc21 1857692396 CIIZGAJSQHGIHY-HNNXBMFYSA-N 357.454 2.930 0 50 FFAA Cc1cccc(-c2cccc(C(=O)N3CC[C@@]45OCCN4C(=O)C[C@@H]35)c2)c1 1857715290 KORRHDOPTLZOQK-KNQAVFIVSA-N 362.429 2.835 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857730923 CQIXAFMDQBJDPQ-NQIIRXRSSA-N 364.401 2.652 0 50 FFAA CN(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)cc1 1857731069 JMSKIHCDCPBLPB-HLAWJBBLSA-N 365.477 2.697 0 50 FFAA O=C1CCOC2(CCN(Cc3ccccc3)CC2)CN1CC[C@@H]1CCOC1 1857734557 VJFGKYKHZQRHIS-HXUWFJFHSA-N 372.509 2.697 0 50 FFAA COc1cccc([C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2C(=O)O)c1 216912483 AOPSLFBKFGHEFP-SJORKVTESA-N 355.390 2.724 0 50 FFAA C[C@@H](CN1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(C(F)(F)F)cc1 225720938 GTSOXTNXXJCCLV-ZDUSSCGKSA-N 366.387 2.891 0 50 FFAA Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 230148670 VIHCBHNJHNNFMR-BXWFABGCSA-N 353.422 2.562 0 50 FFAA O=C([C@H]1CCCc2c(O)cccc21)N1CCN(c2ccccc2)C(=O)C1 330008975 HBOVDAIINVDZMF-SFHVURJKSA-N 350.418 2.688 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1csc(CN(C)C)n1)C2 248084324 DIBVZHUQBBQTAI-HOTGVXAUSA-N 362.543 2.707 0 50 FFAA O=C(O[C@@H]1CN(C(=O)OCc2ccccc2)CCC1=O)c1ccccc1 261507497 JDZYNCFMZCGNOC-GOSISDBHSA-N 353.374 2.824 0 50 FFAA in-vitro COC(=O)CCCn1nc(NC(=O)c2ccc(Br)o2)cc1C 4770721 NVTPBDWFJIYDOS-UHFFFAOYSA-N 370.203 2.753 0 50 FFAA Cc1ncc(CN2CCC[C@@H](CNC(=O)c3n[nH]c4ccccc34)C2)s1 12300626 TWXBTLCTYZNTCN-AWEZNQCLSA-N 369.494 2.970 0 50 FFAA Cc1nccn1Cc1ccc(NC(=O)[C@@]2(c3cnn(C)c3)CCCO2)cc1 2325765069 WVMNCUCIWXNSFM-FQEVSTJZSA-N 365.437 2.618 0 50 FFAA CCn1cc(CCN2C(=O)CCN(Cc3ccc(C(C)(C)C)o3)C2=O)nn1 2325779572 PCAHMSPQQNMKKD-UHFFFAOYSA-N 373.457 2.586 0 50 FFAA CN1CCc2cc(C(=O)NCc3cc4ccccc4nc3O)sc2C1 2325797987 DKDJVYAIPOPYHM-UHFFFAOYSA-N 353.447 2.920 0 50 FFAA O=S(=O)(Nc1cccc(-c2cncnc2)c1)c1cnn(C2CCC2)c1 2325821692 QWHGIXYCDJLJQB-UHFFFAOYSA-N 355.423 2.866 0 50 FFAA CC(C)(C)c1nnc2sc(SCC(=O)c3ccccc3)nn2c1=O 622849 BBQBGDFXAHCMMI-UHFFFAOYSA-N 360.464 2.819 0 50 FFAA aggregator CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)ccc1Cl 789102 YUEUHCHORAKIAH-UHFFFAOYSA-N 365.282 2.772 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1 942080 JFKBCMLLRYCZIC-UHFFFAOYSA-N 360.420 2.591 0 50 FFAA c1ccc2c3c([nH]c2c1)C1(CCN(CC[C@@H]2COCCO2)CC1)OCC3 2356137953 BWJLMADZHTVLHT-MRXNPFEDSA-N 356.466 2.837 0 50 FFAA CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 2870735 WTTITQHYVSIVJE-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1Cl 6146429 YKIROZISWFBFQC-UHFFFAOYSA-N 354.815 2.972 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)Nc1cc2c(C)cc(=O)oc2cc1C 55382797 GSCKRZFKIGTTRT-AWEZNQCLSA-N 362.451 2.606 0 50 FFAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(OC)ccc2OC)oc1C 55575400 WFUCQERCWDUZNP-INIZCTEOSA-N 360.410 2.805 0 50 FFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)[C@](C)(OC)c2ccccc2F)C1 248683289 XSVPVFJDUWDWHT-JQOKGDAASA-N 355.475 2.883 0 50 FFAA CC1CCN(C(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)CC1 100622482 IHQYFRQPZRCMCA-PBWTXFEYSA-N 364.445 2.870 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCN(C)[C@@H](CC)C3)nc2)n1 20540474 LPNSRIYGIUQGSB-INIZCTEOSA-N 373.526 2.561 0 50 FFAA O=C1CCC[C@H]1CC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67541819 LTCMCPYGJNJRCD-AWEZNQCLSA-N 366.417 2.935 0 50 FFAA O=C(O)c1ccc([C@H]2CCN(C(=O)c3cccc(-n4cnnc4)c3)C2)cc1 72162628 PSTUYBZIRBFLQB-KRWDZBQOSA-N 362.389 2.595 0 50 FFAA COCCC1(C(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 252507398 WKCGLNLYAWAVJX-UHFFFAOYSA-N 366.483 2.663 0 50 FFAA C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CC[C@@H](c2ccccc2)C1 229723386 HDCANSWPWGXMTL-DOTOQJQBSA-N 372.490 2.907 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(=O)n(C)c1C 67850417 GNEROQQTHYDVAS-KRWDZBQOSA-N 360.841 2.869 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)c1ccc(CN2CCCCC2)cc1 65527209 VIKODCLHVGDLNO-UHFFFAOYSA-N 356.495 2.905 0 50 FFAA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCC2CCOCC2)n1 218232144 UGGQHLLGXMVUPC-LJQANCHMSA-N 368.481 2.659 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(c3nccs3)CC2)cn1 328656934 ZVFUQXLYEAUFQM-DLBZAZTESA-N 361.515 2.838 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](CN2CCC(Nc3cccnn3)CC2)C1 283580629 PBWQKNHXUQORBL-KRWDZBQOSA-N 365.481 2.515 0 50 FFAA Cc1ccn2c(CN3CCC(O)CC3)c(C(=O)N3CCCCCC3)nc2c1 71715190 HAFFHSAHLDMEQN-UHFFFAOYSA-N 370.497 2.616 0 50 FFAA CCc1nc(C)c(C(=O)N2CCc3[nH]c(-c4ccc(OC)nc4)nc3C2)o1 219314072 QLTQGWCHOOYJPO-UHFFFAOYSA-N 367.409 2.538 0 50 FFAA O=C1CN(Cc2ccc(F)cc2)C(=O)N1C[C@@H]1OCCc2ccccc21 370112733 PSRHCAPSBQCEPT-SFHVURJKSA-N 354.381 2.904 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3csc4c3CCCC4)cnc21 77437982 SRNLSDAIHONWMU-UHFFFAOYSA-N 355.467 2.904 0 50 FFAA Cc1ccc(-n2nccc2NS(=O)(=O)c2cc(C)c(F)c(C)c2)nn1 129693063 XITLKJQRMMVIRJ-UHFFFAOYSA-N 361.402 2.527 0 50 FFAA CCCCCCNC(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71712243 WWARXBXWNGCXBL-INIZCTEOSA-N 361.486 2.672 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1cccc(F)c1 72436384 RCYRWBDRBPSBKI-KRWDZBQOSA-N 360.429 2.503 0 50 FFAA CCCNc1ncc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@H]2C)cn1 72149957 ARBWTRZLWQOLJB-OAHLLOKOSA-N 369.469 2.544 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCc4nc(N)sc4C3)cc2)n1 77438796 QWPCBDXWXFMOBR-UHFFFAOYSA-N 353.451 2.726 0 50 FFAA COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1O 77469859 QUTDXSFLAKJZQS-NRFANRHFSA-N 372.465 2.656 0 50 FFAA CC[C@@H](C)Sc1ncc(CN2CCCN(c3ncccn3)CC2)cn1 216377453 UPZKMBPFPRSWGO-OAHLLOKOSA-N 358.515 2.870 0 50 FFAA OC1(CNCc2cc3ccccc3nc2N2CCCCC2)CCOCC1 238157087 FSANIHGJZIFGCF-UHFFFAOYSA-N 355.482 2.856 0 50 FFAA CCOC(=O)[C@]12CCCN[C@@H]1CCN(C(=O)c1cccc(Cl)c1F)C2 72170386 CNVYXHWNYVIVCF-KDOFPFPSSA-N 368.836 2.627 0 50 FFAA COc1cc2c(cc1C(=O)N1CCC([C@@H](C)N3CCOCC3)CC1)CCC2 72435800 BDCXKLWWLHUFBU-MRXNPFEDSA-N 372.509 2.757 0 50 FFAA COc1ccnc(CN2CCCn3nc([C@@H](O)C4CCC4)cc3C2)c1OC 222990777 QJHOXWXERQUDOM-IBGZPJMESA-N 372.469 2.535 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 263368900 XFNMOHUPBMVESX-PGRDOPGGSA-N 365.429 2.956 0 50 FFAA CCN1CCC(CCNC(=O)N2CC[C@](O)(c3ccccc3C)C2)CC1 426689989 WOEIDKMTIOJDRG-OAQYLSRUSA-N 359.514 2.720 0 50 FFAA CN1CCC(N2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(F)cc3)C2)CC1 19300690 VURAMTIMJSOVRP-XLIONFOSSA-N 359.489 2.733 0 50 FFAA Cn1c(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc2c(Cl)cccc21 426599546 KETSLQAUBZBSKK-LBPRGKRZSA-N 368.886 2.729 0 50 FFAA Cn1nnc2c1C[C@@H](c1nc(-c3ccc(N4CCCCC4)nc3)no1)CC2 290902172 FIGPPSKAIYDFDO-ZDUSSCGKSA-N 365.441 2.523 0 50 FFAA CSc1ncc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1 220621065 MMMDHBLODJBEPD-UHFFFAOYSA-N 356.495 2.592 0 50 FFAA CN1C[C@]2(CCN(C(=O)c3ccc(-c4cc(F)ccc4O)cc3)C2)OC1=O 426546036 ANUFAHJDQHXMAX-FQEVSTJZSA-N 370.380 2.865 0 50 FFAA CCNC(=O)c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)s1 426700094 UQLQEGHNVATCQJ-UHFFFAOYSA-N 371.506 2.990 0 50 FFAA CC[C@@H](NC(=O)N(C)CC1(CO)CCOCC1)c1nc2ccc(C)cc2[nH]1 426667489 NMXVRJUWIMUOTH-OAHLLOKOSA-N 374.485 2.753 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCc3nccs3)CC2=O)cc1 92064873 WZQMZBDKLDBGEP-HNNXBMFYSA-N 357.479 2.978 0 50 FFAA CCc1c(C)nn(CCNC(=O)Nc2ccccc2N2CCOC2=O)c1C 95511796 DLYQCTONWAHSJX-UHFFFAOYSA-N 371.441 2.841 0 50 FFAA Cc1ccc2nc(COCC(=O)N[C@@H](C)c3nc(CC(C)C)no3)[nH]c2c1 97547576 WAPBKUMUSQVTBI-ZDUSSCGKSA-N 371.441 2.847 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc(Cl)c1 239309511 HQEBYMHZTNXSOO-OZINRZGZSA-N 370.836 2.722 0 50 FFAA O=C1NCCN(C(=O)c2cnoc2-c2ccccc2)[C@@H]1Cc1ccccc1 97546467 WZLCWZHZHNWULA-GOSISDBHSA-N 361.401 2.525 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)nn2C)C1 95504896 PLZSNSPFGPAEJY-CYBMUJFWSA-N 355.467 2.902 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N(C)Cc2nc(C)c[nH]2)c1 91663822 RAGOVYVUTYQXJF-UHFFFAOYSA-N 371.437 2.956 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccnnc2)C1 95496993 DSBQLUOUPZONAH-QGZVFWFLSA-N 368.481 2.512 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@H](c2cccc(F)c2)N(C)C)C1 95354814 HAFRLWKEYPZXDE-IBGZPJMESA-N 358.413 2.727 0 50 FFAA Cc1nn(C)c(C)c1CN1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C 91616613 LCWCOIOYTDYXPC-UHFFFAOYSA-N 370.545 2.765 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 92003729 MYFOHYRLJGVFAO-PKOBYXMFSA-N 365.481 2.760 0 50 FFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 245284471 SBLXJJYYIKNXNF-SHTZXODSSA-N 363.421 2.632 0 50 FFAA Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1 244794677 QRIUJXQTABJSLD-IYARVYRRSA-N 362.433 2.650 0 50 FFAA COCCc1noc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 244707778 KHJYDEBLNWUGSY-OAHLLOKOSA-N 369.425 2.688 0 50 FFAA CNc1nc(C)cc(-c2cccc(C(=O)N[C@@H](C)CCn3cccn3)c2)n1 534676853 NGTGLVLYGRLJKN-AWEZNQCLSA-N 364.453 2.899 0 50 FFAA C[C@@H](c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1)N1CCOCC1 534667003 PYBWGUPTXKDKLD-AWEZNQCLSA-N 361.467 2.513 0 50 FFAA O=C(CSc1ccc(Cl)cc1)NCc1noc([C@H]2CCCO2)n1 299767115 FDDRSFJYCYDUDI-GFCCVEGCSA-N 353.831 2.983 0 50 FFAA CN(Cc1cscn1)C(=O)N[C@H]1CCCN(Cc2cccc(O)c2)C1 584903875 FILMXAPGJGILAU-HNNXBMFYSA-N 360.483 2.655 0 50 FFAA Cc1ccsc1CN(CCO)C(=O)c1ccccc1N1CCOCC1 952968952 ONIXNFHLCOIZIX-UHFFFAOYSA-N 360.479 2.528 0 50 FFAA COc1nc(C)cc(C)c1-c1noc([C@H]2OCC[C@H]2Cn2ccnc2)n1 886050377 AEYLNGHRJSMOGH-ZFWWWQNUSA-N 355.398 2.731 0 50 FFAA Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2[nH]c3ccccc3c2Cl)n[nH]1 888093512 AVZFFWVNDFWHLP-BONVTDFDSA-N 359.817 2.755 0 50 FFAA CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@H](O)Cc3cc4c(cc3[C@@H]12)OCO4 38191708 IQUGPRHKZNCHGC-HMXCVIKNSA-N 367.401 2.505 0 50 FFAA biogenic CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)CSCc2ccccc2Cl)C1 1565513038 KJIZQJBRZQDUNW-GJZGRUSLSA-N 370.946 2.592 0 50 FFAA CCN(CC)CCOc1ccc(CN2C(=O)[C@@H]3CCCCN3C2=O)cc1 170592469 IJGMPILKJFJYKA-SFHVURJKSA-N 359.470 2.724 0 50 FFAA Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)no1 225406402 CUTFDQPXCLWISW-DOMZBBRYSA-N 354.328 2.879 0 50 FFAA COCc1c(C(=O)N2C[C@@H](C)Oc3ncccc32)cnn1-c1ccccc1 189068947 DSIMYELOGRTJMB-CQSZACIVSA-N 364.405 2.841 0 50 FFAA CN1CCC(C)(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1529168832 NFXHPKGEBMMODR-YLJYHZDGSA-N 367.493 2.640 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2CNC(=O)C[C@@H]2C1 1800414388 QLZZNELERJSBEQ-MOPGFXCFSA-N 366.461 2.842 0 50 FFAA O=C(c1ccccc1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704302405 JLEVJHXMMDYCKY-TZIWHRDSSA-N 365.477 2.534 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N2CCC(O)CC2)cc1 1704303793 IYPWXMJFSGWFEA-UHFFFAOYSA-N 371.437 2.547 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3nccn3C)CC1)OCC2 1704297551 BKJWCXAFSSKXHE-UHFFFAOYSA-N 357.454 2.501 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc1 1772707138 KJVNSHNOFHTQTD-RDJZCZTQSA-N 364.511 2.803 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(Br)cc1 5453109 IMQJIJDJUIAZLB-UHFFFAOYSA-N 358.195 2.798 0 50 FFAA CN(C)S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12209755 BLZWVTVBGXNCQH-INIZCTEOSA-N 372.490 2.640 0 50 FFAA CCN(CC)S(=O)(=O)c1csc(C(=O)N2CCc3ccccc32)c1 16650984 IKLMPPZPMDZFSQ-UHFFFAOYSA-N 364.492 2.982 0 50 FFAA CCn1c(S)nnc1CCN1CCN(c2ccc(Cl)cc2)CC1 16667633 KVXSXGDJKNEHDY-UHFFFAOYSA-N 351.907 2.605 0 50 FFAA COC(=O)C[C@H](c1ccccc1)c1c(O)n2cc(Cl)ccc2nc1=O 205977001 PCFSMZNUDMTXJS-CYBMUJFWSA-N 358.781 2.749 0 50 FFAA CN(C)CCOc1ccccc1C(=O)NC[C@](C)(CO)Cc1ccccc1 252484295 FTWAIDPZNUODAU-JOCHJYFZSA-N 370.493 2.598 0 50 FFAA O=C1CC[C@@H](NC(=O)[C@H](O)c2ccccc2Cl)[C@H](c2ccccc2)N1 840541447 CCYMDZVVQUPJNY-BPQIPLTHSA-N 358.825 2.510 0 50 FFAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2OC)cc1 3624787 ZFULXTAMGYPNRP-MRXNPFEDSA-N 373.405 2.805 0 50 FFAA O=C(/C=C/c1ccccc1)NCCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 2325704749 JFJKPTMOIRLUGN-JGKTWQDOSA-N 368.477 2.670 0 50 FFAA CN(C)[C@H]1CC[C@@H](C(=O)NCCc2csc(N3CCCC3)n2)CC1 2325784880 QFXQFXQKTMXSKR-FZNQNYSPSA-N 350.532 2.522 0 50 FFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@](C)(CNC(C)=O)CC1(C)C 2325849633 VTXYEVPJFUXJAT-FVJLSDCUSA-N 358.482 2.952 0 50 FFAA NC(=O)c1ccsc1NC(=O)C[C@@]1(C(=O)O)CCCc2ccccc21 2325851936 NIBZUPKWPIJIAD-SFHVURJKSA-N 358.419 2.535 0 50 FFAA CN1CCN(C(=O)Cc2ccc3nsnc3c2)C[C@H]1Cc1ccccc1 2325858469 OLRHITRFEDOBGG-QGZVFWFLSA-N 366.490 2.619 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)C1 2325888728 UXBSRKONUNYYFH-CQSZACIVSA-N 373.478 2.508 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1 2325889995 OLHBQAHIKAUQRO-UHFFFAOYSA-N 364.405 2.529 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1 2325890044 VJRDCVVPQPPWRZ-INIZCTEOSA-N 354.410 2.976 0 50 FFAA CCCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC 2356145863 LHXRSOAWIZQLLM-XHSDSOJGSA-N 352.500 2.739 0 50 FFAA Cc1cccc(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)c1C 2356151540 MYQPFSLIAABKMB-MOPGFXCFSA-N 372.852 2.829 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1C 2877718 KXEWXPPYEAFEDY-INIZCTEOSA-N 352.500 2.861 0 50 FFAA COc1ccccc1-n1nc(-c2c[nH]nc2C)nc1[C@H]1CC[C@H](N)CC1 2356163180 RECRECIBADESAB-HDJSIYSDSA-N 352.442 2.959 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356164534 WSSZUGWOMCIFOJ-HKUYNNGSSA-N 363.816 2.503 0 50 FFAA COc1ccc(CN(C(=O)Nc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4840488 BBUUGUXWYJTBNL-QGZVFWFLSA-N 374.462 2.916 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6729989 SHCYSOLRDLCRCJ-HNNXBMFYSA-N 351.834 2.504 0 50 FFAA CCCC(=O)N1CCC[C@H](C(=O)OCc2cccc(Br)n2)C1 225858239 ARGZMXAILBRNRE-LBPRGKRZSA-N 369.259 2.926 0 50 FFAA CCn1nc(C)c(CN(CCOC)Cc2c(C)nn(C)c2Cl)c1C 55196106 NKOFFRQCUGTUIC-UHFFFAOYSA-N 353.898 2.864 0 50 FFAA CC(C)n1ncc2c(C(=O)N(C)Cc3ccnn3C)cc(C3CC3)nc21 471571688 RLJOFEHOCSYPGJ-UHFFFAOYSA-N 352.442 2.895 0 50 FFAA Cc1cc(C)c2nc(C)cc(C(=O)N3C[C@H]4CCC[C@H](C3)C(=O)N4)c2c1 102199427 QKCJJBUWOBFKBS-HZPDHXFCSA-N 351.450 2.901 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2CCn2c(=O)oc3ccccc32)s1 23398428 XJKYYIRLWTYQCT-CYBMUJFWSA-N 357.435 2.592 0 50 FFAA OC1CCN(c2ccnc(NCC3(c4ccccc4)CCOCC3)n2)CC1 65502109 OCLZUHRIHADYRZ-UHFFFAOYSA-N 368.481 2.598 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN(C4CCOCC4)CC3)cn2)c1 63856861 GBIKGSRIFJHKFO-UHFFFAOYSA-N 352.482 2.749 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NC(C)(C)CO)Cc2ccccc2C1 39509708 JQUKTAVQLPRKPK-UHFFFAOYSA-N 352.478 2.543 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OC1=O 77321297 FBUWQXLWPLNGBM-LBPRGKRZSA-N 367.396 2.975 0 50 FFAA CC(C)N1CCC(C(=O)N[C@@H](C)c2ncc(Br)cn2)CC1 330723672 IPSNJHSWVQMEKT-NSHDSACASA-N 355.280 2.537 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1ccsc1 71278946 BWQVVYNROWXUBS-FQEVSTJZSA-N 358.507 2.824 0 50 FFAA CC(C)C[C@@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(=O)O 236795327 BUOWFWZXEOBRIX-IAGOWNOFSA-N 350.434 2.796 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3ncccc3O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72152518 USJQUUNEIGBRDY-DUXKGJEZSA-N 363.461 2.798 0 50 FFAA c1cncc(-c2nc3c(c(NCc4ccccc4-n4ccnc4)n2)CNC3)c1 72161110 YVWHLKDYJLVQBW-UHFFFAOYSA-N 369.432 2.940 0 50 FFAA O=C(N[C@H]1CCc2nc[nH]c2C1)c1c[nH]nc1-c1cccc(OC(F)F)c1 371307118 AYZRBEYKQZVHIK-NSHDSACASA-N 373.363 2.689 0 50 FFAA O=C(CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1)N1CCC1 372200289 OILUDFGERRRCDK-MRXNPFEDSA-N 360.502 2.994 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@@H](C(=O)O)C2)cs1 237738245 RTKZJQAFJPXUFJ-LQYUOIDQSA-N 372.446 2.977 0 50 FFAA Cc1nc(COc2cccc(C(=O)N3CCC[C@H](C(=O)O)C3)c2)cs1 133061591 RWTURHFTXOECDT-AWEZNQCLSA-N 360.435 2.967 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc2[nH]cnc12 157918990 RVWOTJJLWHVUNU-CQSZACIVSA-N 354.797 2.752 0 50 FFAA CCn1c(C2CCN(Cc3ccc(C)c4ncccc34)CC2)n[nH]c1=O 71278908 WZGZLZDQDOGZTA-UHFFFAOYSA-N 351.454 2.828 0 50 FFAA CCOc1ccc(CC(=O)N(C)[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 377765379 WZUMQVPBHYOJSG-SFHVURJKSA-N 368.481 2.854 0 50 FFAA COc1ccc(CNC(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1O 457837143 YKCDCLPFDARSAQ-INIZCTEOSA-N 360.385 2.823 0 50 FFAA CCc1ncc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)cn1 82120561 SPJGPVMHJAEVSV-LBPRGKRZSA-N 358.829 2.570 0 50 FFAA CN1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82121422 GZSAJUPZMRCOGR-FQEVSTJZSA-N 373.545 2.522 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCn2nc(CO)cc2C1 221405278 NIXOMAQYVRNISL-UHFFFAOYSA-N 363.417 2.610 0 50 FFAA Cc1nc(C(=O)N2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)cs1 221184535 KHOLNMGUBLGROK-GOSISDBHSA-N 368.462 2.580 0 50 FFAA CCc1cc(-c2ccc(C(=O)N3CCCN(C)CC3)cc2)nc(N(C)C)n1 426490701 YPOSUYVRVWBIDA-UHFFFAOYSA-N 367.497 2.550 0 50 FFAA O=C(NC[C@@H](O)c1cccc(O)c1)NCC1(N2CCCCC2)CCCC1 426370454 IZINTKREZCXSEP-GOSISDBHSA-N 361.486 2.524 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cccc2c1C 220590997 AOYGFSVEOKGSHX-DDUZABMNSA-N 352.438 2.760 0 50 FFAA O=C(CN1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1)NC1CC1 426379660 JJJKDTVHHXJGBP-FQEVSTJZSA-N 363.452 2.531 0 50 FFAA COc1ccc(C[C@@H](C)CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 161687758 MFCGPLFJGQHEKM-CQSZACIVSA-N 368.433 2.977 0 50 FFAA Cc1csc(CCCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)n1 95354667 DYGUYIYAAPWNLG-UHFFFAOYSA-N 363.527 2.929 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1 92046141 JXOAEJBEPVIOSN-SFHVURJKSA-N 367.445 2.852 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 97522676 JDFIGPQSZXWSTL-DLBZAZTESA-N 352.438 2.550 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(CCOc1ccc(F)cc1)C2 91586196 SFNYXJARMUUSOQ-VQIMIIECSA-N 369.440 2.836 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)c1cc2cc(C)ccc2n1C 97436817 BVSFMVYFKUMQDO-AWEZNQCLSA-N 355.442 2.606 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(COC)s2)C1 95509188 VHRVMKZEJAEGGA-AWEZNQCLSA-N 363.483 2.757 0 50 FFAA O=C(O)c1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 91651118 RCQQNOPZQOHWQG-QGZVFWFLSA-N 363.421 2.804 0 50 FFAA C[C@@H]1CN(c2nnnn2Cc2ccc(-c3ccccc3)cc2)CC[C@]1(C)O 92028819 XCTQZPMEJJOPBA-IERDGZPVSA-N 363.465 2.986 0 50 FFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239173742 OOIMGFZNCXYCRF-PSJNWGMYSA-N 364.445 2.631 0 50 FFAA Cc1c(NC(=O)NCCCc2ncc[nH]2)cccc1C(=O)N1CCCC1 95531473 ICAGNHYOXXPIPS-UHFFFAOYSA-N 355.442 2.708 0 50 FFAA C[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 295052021 OPOQVQKZMFMIJU-RDTXWAMCSA-N 370.424 2.932 0 50 FFAA CC[C@@H](NC(=O)Nc1ccc(Cc2n[nH]c(C)n2)cc1)c1nc(C)no1 96131870 RPZQVGKJQFCLEC-CQSZACIVSA-N 355.402 2.668 0 50 FFAA Cc1nc(CN2CCN(C(=O)Nc3ccc4cn[nH]c4c3)CC2)cs1 95519079 ZREGNOYAIRTCJF-UHFFFAOYSA-N 356.455 2.678 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccn2)[nH]n1 97742596 NKDLLZKCKAGKPV-UHFFFAOYSA-N 371.510 2.562 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91452340 XMKYTFPLMZMURM-SFHVURJKSA-N 370.453 2.558 0 50 FFAA COc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1nc(C)cs1 97529036 NSAMLPBMPNXFLT-UHFFFAOYSA-N 374.466 2.717 0 50 FFAA CCN1CC2(CCN(CC(=O)NC(C)C)CC2)C[C@H](c2ccccc2)C1=O 95387316 FWFFKPCODOUILQ-LJQANCHMSA-N 371.525 2.629 0 50 FFAA CCc1n[nH]c(-c2cccc(NC(=O)NCCc3nnc(C)s3)c2)n1 95503252 BJDCCSYVDJBCRW-UHFFFAOYSA-N 357.443 2.558 0 50 FFAA CCCc1nc(C)c(CNC(=O)CCc2nc3ccccc3[nH]c2=O)s1 92027986 SZRTWZPWGIBVKL-UHFFFAOYSA-N 370.478 2.890 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)C[C@H]1[C@@]13O[C@@]21[C@H]1CC[C@H]3C1 257356065 FLSJOHCNSGTBJL-HGKKJCDUSA-N 362.498 2.679 0 50 FFAA COc1ccc(CN2CCN(Cc3nccs3)C[C@H]2CCO)cc1C 257372183 ISBLIXPMLWLTIZ-QGZVFWFLSA-N 361.511 2.529 0 50 FFAA Cc1ccccc1-c1noc([C@H](C)NC(=O)N(C)Cc2cnn(C)c2C)n1 534591663 MTLIKLPUIRYEQA-ZDUSSCGKSA-N 368.441 2.990 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)c1C 48441266 JDTLLANRRBJKAN-INIZCTEOSA-N 355.486 2.641 0 50 FFAA Cc1cc(N2CCCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 299797899 TXQFKLDTKMKMMT-IBGZPJMESA-N 364.493 2.955 0 50 FFAA COCCn1cncc1CNC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12 299796038 NJDJATYNXJZLDR-UHFFFAOYSA-N 354.454 2.795 0 50 FFAA CN1CCC2(CC1)CN(C(=O)c1cccc(OC(F)(F)F)c1)CCO2 649131364 IVVMMFWHIDKZRA-UHFFFAOYSA-N 358.360 2.522 0 50 FFAA CN1CCN(C)[C@H](CNC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 584895919 JLUVKXJVLSRHCY-OAQYLSRUSA-N 366.509 2.741 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)NCCN1CCCC[C@H]1CO 670455882 WRDWXUWFSKTIOP-SFHVURJKSA-N 353.466 2.634 0 50 FFAA Cc1cc(CS(=O)(=O)N2CCN(c3c(C)cccc3Cl)CC2)no1 952845913 KOMUUGLSYSVSGZ-UHFFFAOYSA-N 369.874 2.597 0 50 FFAA O=C(NCc1cc2ccc(F)cc2nc1O)NC[C@@]12CCC[C@@H](CO1)C2 1875278182 GRAPSKSJKZRDBQ-BLVKFPJESA-N 359.401 2.838 0 50 FFAA C[C@H]1CN(C(=O)c2ncsc2Nc2ccccc2)C[C@@H](CC(=O)O)O1 1875312070 HBPDLEKEPDGMKR-WCQYABFASA-N 361.423 2.591 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 1875367134 MTJZUFJEYITYFX-UHFFFAOYSA-N 352.438 2.852 0 50 FFAA COc1ccccc1[C@H](CNC(=O)[C@@H](C)[C@@H]1CCNC1)N1CCCCC1 1875336116 SLGCEPDCBJCAEB-SCTDSRPQSA-N 359.514 2.584 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cc(F)c(C)cc2F)C1 888076818 ITMVTFROSQZOOE-QGTPRVQTSA-N 352.425 2.574 0 50 FFAA C[C@H]1CN(Cc2csc(NC(=O)N3CCC=C(F)C3)n2)C[C@H](C)O1 274116761 ZPIWACDNAXJFCZ-RYUDHWBXSA-N 354.451 2.843 0 50 FFAA C[C@H](CC(=O)Nc1cccc(N2CCCCC2=O)c1)N1CCCCC1=O 170607919 MKRHGWPXBVDSEV-OAHLLOKOSA-N 357.454 2.933 0 50 FFAA CC(C)(C)c1nc(CC(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)cs1 170620491 BRGLVAMUSLGLCP-UHFFFAOYSA-N 358.423 2.965 0 50 FFAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](C)n3cnc4ccccc43)C2)no1 171485776 KGEAXOLFCLGBEW-HIFRSBDPSA-N 353.426 2.770 0 50 FFAA CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ncccn1 281113827 HJSORUUJEUKYGN-CQSZACIVSA-N 358.829 2.645 0 50 FFAA O=C1NCCCN1C1CCN(c2cncc(OC3CCCCC3)n2)CC1 302302932 QKKMKIPLPCOFAO-UHFFFAOYSA-N 359.474 2.572 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc3c(c1)CCO3)[C@@H]2C 188813844 CFCAJIHVPRNHHY-HZRUHFOJSA-N 352.438 2.953 0 50 FFAA Cc1nc(-c2cccs2)sc1C(=O)N1CCN(C[C@H](C)O)C[C@H]1C 225393069 VHPLUDPYDFBBBY-NEPJUHHUSA-N 365.524 2.707 0 50 FFAA C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 225474549 QKURYOUFOVUIJQ-NXEZZACHSA-N 357.332 2.892 0 50 FFAA Cc1cccc(C[C@H](CO)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 191222775 HWCVXNAGIIYPBX-OAHLLOKOSA-N 353.397 2.858 0 50 FFAA CO[C@](C)(C(=O)N[C@H]1CCc2nnc(C(C)C)n2C1)c1ccccc1F 192247673 NUJMFOSMCLPLTQ-DJJJIMSYSA-N 360.433 2.533 0 50 FFAA C[C@@H](CNC(=O)c1cc2sc(N(C)C)nc2s1)N1CCCCC1=O 194267390 YJJCFMIZTMXMFX-JTQLQIEISA-N 366.512 2.555 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)c1ccc(OC[C@H]2CCCO2)cc1 194219641 XZFJZYJQOCWVJG-HXUWFJFHSA-N 358.482 2.849 0 50 FFAA CC[C@H](c1ccccn1)N(C)S(=O)(=O)c1cc(C(=O)O)ccc1OC 1506399331 LZDIFACUNFLLJA-CQSZACIVSA-N 364.423 2.560 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NC[C@H]2CCCO2)cc1 677118 UTMYTSQWDNKZIG-YPOUMIDOSA-N 354.406 2.654 0 50 FFAA aggregator Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CC1CCCC1)C2 212859728 KKHOKIJCBHITLD-SJORKVTESA-N 359.470 2.821 0 50 FFAA COc1cc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccc1C 1615964940 SDUUHSPOSBQLBX-MOPGFXCFSA-N 354.450 2.705 0 50 FFAA Nc1ncc(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)s1 1704343870 KJZJXUYRBDIDRE-UHFFFAOYSA-N 368.462 2.911 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)s1 1704335677 DBERLMQWKNBQHF-LJQANCHMSA-N 371.510 2.736 0 50 FFAA Cc1cc(C[C@@H]2CN(c3cc(C)nc4cc5c(cc34)OCO5)C[C@@H]2O)on1 1704304457 GBFFTOPRZDEMKR-ACJLOTCBSA-N 367.405 2.608 0 50 FFAA CCCOc1ccccc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 1772704527 CCKHLINZBYHCRK-UHFFFAOYSA-N 358.442 2.515 0 50 FFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2OC)n1 5155020 JEHSKXVVJMUFEP-UHFFFAOYSA-N 353.831 2.725 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3cccc(C)c3)CC2=O)cc1 12587920 PTPQQIBYWPZGBD-SFHVURJKSA-N 352.434 2.577 0 50 FFAA Cc1cc2c(cc1CN[C@@H]1CC(=O)N(Cc3cccc(F)c3)C1)OCO2 12710580 XUSWMGNGIXFEHP-QGZVFWFLSA-N 356.397 2.754 0 50 FFAA CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC 13678815 KHKFASUDGCRCCI-UHFFFAOYSA-N 362.451 2.863 0 50 FFAA CC(C)N1C(=O)N(C)C2(CCN(Cc3c[nH]c4ccccc34)CC2)C1=O 14752220 RWEYEGIJRILITO-UHFFFAOYSA-N 354.454 2.805 0 50 FFAA CCCn1ncc(CN2CCC[C@@](CCOC)(C(=O)OCC)C2)c1C 14972730 XXFKXNODSANWNQ-IBGZPJMESA-N 351.491 2.783 0 50 FFAA O=C(CC(F)(F)F)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 15066144 HOQXSCZLCPATRN-UHFFFAOYSA-N 353.300 2.643 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)C2 1857677652 LHBACEQFEJDWDN-IBGZPJMESA-N 372.400 2.581 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)c1 1857687944 MJROAMMFMJJJBW-SFHVURJKSA-N 369.465 2.802 0 50 FFAA Cc1nnc(CN2CCO[C@]3(CCN(CC4CCCCC4)C3)C2)s1 1857695852 BEDWVWUGAKSIRM-SFHVURJKSA-N 350.532 2.704 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCOC2(CCNCC2)C1 1857709057 BKBDEHSBROALRT-LJQANCHMSA-N 358.461 2.744 0 50 FFAA CCC(CC)C(=O)N1CCO[C@@H](CN2CCCCC2)[C@@H]1c1cnn(C)c1 1857723925 COTALDFPEDYAFL-OALUTQOASA-N 362.518 2.611 0 50 FFAA Cc1nc(NC(=O)CCn2c(C)nc3ccccc32)sc1C(=O)N(C)C 1875248856 SWMZOFVAQHAIQM-UHFFFAOYSA-N 371.466 2.840 0 50 FFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(Br)cc1 237953816 OFVZEKGKGQKNJG-YPMHNXCESA-N 356.216 2.508 0 50 FFAA CCc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)nc1 253606164 JNQSQOHLTNPJNA-QAPCUYQASA-N 356.495 2.724 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(c2ncncc2Br)C1 375159369 LXHIUEOVIRPSAT-LLVKDONJSA-N 353.220 2.639 0 50 FFAA O=C(CNC1CC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704325139 JGNWSIGIVILZJF-JOCHJYFZSA-N 362.477 2.702 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)cn1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 911670839 KRLYDJOJBFZAJS-WBVHZDCISA-N 358.369 2.911 0 50 FFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 4189549 ZIACBWRDQIKEGG-NNTXTVRGSA-N 366.801 2.801 0 50 FFAA COc1cccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1OC 4387081 LTGCCFWIWVBXGE-CYBMUJFWSA-N 351.358 2.986 0 50 FFAA CC(=O)NC[C@@H](OC(=O)c1cccc2c1NC(=O)CC2)c1ccccc1 2325783988 RKECJEFXVFVXNX-QGZVFWFLSA-N 352.390 2.606 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(C(=O)N(C)Cc2cnc(N(C)C)nc2)C3)cc1 2325808796 YWKKGHSZOJUGJD-WIYYLYMNSA-N 365.481 2.676 0 50 FFAA O=C(c1cccc(Cl)c1Cl)N1CC[C@H](c2cc(O)nc(O)n2)C1 898237189 HEGDWOLIIFVWKD-QMMMGPOBSA-N 354.193 2.824 0 50 FFAA Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(=O)n(-c2ccccc2)n1C 117559045 CDGYLPJMSJXNTN-DJJJIMSYSA-N 363.417 2.988 0 50 FFAA COc1ccc(C(=O)[C@@H](C)Sc2nnc(N3CCOCC3)s2)cc1 145280529 AQOAOBWMZQIAQC-LLVKDONJSA-N 365.480 2.747 0 50 FFAA COc1ccc(-c2ccc3c(n2)sc2c(=O)[nH]c(=O)[nH]c23)cc1OC 809484 QHHNMVPWOFBZQR-UHFFFAOYSA-N 355.375 2.510 0 50 FFAA CC(=O)c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 938622 OTUATPGPEQBEBI-UHFFFAOYSA-N 351.358 2.871 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)OCCN1C(=O)c2ccccc2C1=O 948363 BBFRWUWXYDDIFS-UHFFFAOYSA-N 373.792 2.867 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ccccc1OC1CCCC1 2356146529 JZYAEJLJEGMUJK-QFIPXVFZSA-N 372.509 2.957 0 50 FFAA O=C1CCN(c2ccccc2C(=O)N2CCCc3ccccc3C2)C(=O)N1 2356166435 XMLBTRKHTPRKBN-UHFFFAOYSA-N 363.417 2.722 0 50 FFAA Cc1n[nH]c(O)c1[C@H](c1cc2c(cc1Cl)OCO2)c1c(O)n[nH]c1C 4540540 SEQUEPXLXLURKI-UHFFFAOYSA-N 362.773 2.723 0 50 FFAA CCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 55095252 DAMBCISQIUCVND-GOSISDBHSA-N 358.482 2.843 0 50 FFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NC3CCNCC3)nc2)C1 67472911 BLQNDLCJAMLMEU-KRWDZBQOSA-N 372.513 2.713 0 50 FFAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 230223820 PXBUYQYUUFDPBA-MHORFTMASA-N 357.498 2.522 0 50 FFAA Cc1ncc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)c(C)n1 328644088 RQTMKXHZOXSLEN-GJZGRUSLSA-N 362.474 2.840 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)n(C)n1 77406680 ZRNPKFRDPLLITD-FQEVSTJZSA-N 360.502 2.619 0 50 FFAA CNc1nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cs1 72436713 PIPHUEYTJAOBAZ-UHFFFAOYSA-N 360.527 2.911 0 50 FFAA Cc1ccnc(NC[C@H]2CCN(CCOc3ccccc3C(=O)O)C2)c1 364268187 YMECMARZWKKVOA-MRXNPFEDSA-N 355.438 2.901 0 50 FFAA COc1c(CNCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c(C)nn1C 237204011 MZCFWHDMTSEPSZ-HZPDHXFCSA-N 372.513 2.636 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC2(CC1)c1ccccc1C[C@H]2O 72162492 BFUOUCOGHAZXRY-LJQANCHMSA-N 374.444 2.563 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2cccnc2)CC1 77537954 SRKDKDOUSIHRLV-UHFFFAOYSA-N 354.502 2.576 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(C)CCn3ccc4ccccc43)cnc21 77436298 NBOUDLMLJDNEKN-UHFFFAOYSA-N 362.437 2.760 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1N1CCCC1=O 130378972 RUAADFCZTSSTKD-CQSZACIVSA-N 368.441 2.624 0 50 FFAA CN1Cc2ccccc2[C@H](NC(=O)c2cc3c(cc2F)NC(=O)CC3)C1 374342699 VELPOKZVODNRRJ-GOSISDBHSA-N 353.397 2.627 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)s1 263075260 AVNJBPFVZOTMFA-OLZOCXBDSA-N 359.403 2.637 0 50 FFAA O=C(CSCC1CC1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 77489769 YVMJOKIYMKQQTI-UHFFFAOYSA-N 362.543 2.791 0 50 FFAA O=C(O)COc1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c1 262850791 WWLUVJMSSZXYFW-FUHWJXTLSA-N 355.390 2.800 0 50 FFAA CCCc1ncncc1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 216246961 MFMGVKQENHLWAA-UHFFFAOYSA-N 367.453 2.855 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2=O)c1 82097502 LLFLDHNSSAALAK-UHFFFAOYSA-N 368.433 2.971 0 50 FFAA COc1ccc2c(C)c(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)oc2c1 222290157 DDQQGLCYQJYDKI-OOKWDQIISA-N 369.421 2.725 0 50 FFAA Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 178470085 XMWCPGXOVPMNBN-CQSZACIVSA-N 362.389 2.580 0 50 FFAA Cc1ccc2nc(COc3cccc(C(=O)N4CC[C@H](CN)C4)c3)cn2c1 178537523 IZUMKZKFOQBKSG-MRXNPFEDSA-N 364.449 2.643 0 50 FFAA Cc1cc(OC(C)(C)C(=O)NCCCN2CCOCC2)ccc1Cl 20352425 KCIBMBAIHYWDSM-UHFFFAOYSA-N 354.878 2.644 0 50 FFAA CCn1cc(CN(C)c2ccnc(C(=O)NCc3ccoc3)c2)c(C)n1 426534461 NCZPGEMKWCUBHR-UHFFFAOYSA-N 353.426 2.766 0 50 FFAA COC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1 19850962 DMIVYUHBOFJZBA-UHFFFAOYSA-N 354.450 2.670 0 50 FFAA CCS(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)s1 426555339 AEXAPXHLITVFOV-UHFFFAOYSA-N 365.476 2.681 0 50 FFAA Cc1cccc(CN2CCN(C(=O)N[C@@H](C)c3ccc(C)nc3)CC2=O)c1 426405850 YDBBXLJVIZBKMI-KRWDZBQOSA-N 366.465 2.813 0 50 FFAA CSc1ccccc1C(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426434821 HQBNLFWRNUWZRU-ZDUSSCGKSA-N 359.451 2.709 0 50 FFAA Cc1c([C@@H](C)NC(=O)CCN2CCCCC2=O)cnn1-c1cccc(F)c1 91985861 ZARZIWUZZAJWDG-CQSZACIVSA-N 372.444 2.900 0 50 FFAA COc1ccccc1OC1CCN([C@H](C(=O)O)c2ccc(CO)cc2)CC1 95355019 SZBQNKNTIQPDOP-FQEVSTJZSA-N 371.433 2.857 0 50 FFAA Cc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCCC3)CC2)c(F)c1 95377028 IIEGSEXFNOJZGG-SFHVURJKSA-N 362.445 2.984 0 50 FFAA CCCCNC(=O)CN(C)c1nc(C)nc2c1Cc1ccccc1OC2 96148521 DRNDXTRRIXMTBN-UHFFFAOYSA-N 354.454 2.621 0 50 FFAA Cc1ccccc1C(=O)N1CCN(C)[C@]2(CCC(=O)N(CC3CC3)CC2)C1 95389539 VKSVRLGWLQTEID-QFIPXVFZSA-N 369.509 2.544 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 97797305 HTRCDBXBDRCUKK-LJQANCHMSA-N 354.450 2.701 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(C(=O)c2cccc(F)c2)CC1 95382007 MHFDHMLRWRZQCH-UHFFFAOYSA-N 358.461 2.994 0 50 FFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 91713386 KZBUUUSYMVODOL-LJQANCHMSA-N 359.426 2.605 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)[C@H]1CC(=O)N(Cc2ccco2)C1 181057660 QDWFOKVOEJLFLD-GUYCJALGSA-N 372.396 2.797 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCN2CCCC2=O)C1 91486692 JMUJNACRGOXZHU-NRFANRHFSA-N 372.465 2.599 0 50 FFAA O=C(Nc1ccc(F)c(F)c1)[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCO2 244209039 VTCGRMBWMWPUQH-NWDGAFQWSA-N 360.316 2.907 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)O1 299744773 PUHCAAQJQWXZCP-JDSLSITLSA-N 362.401 2.767 0 50 FFAA O=C(NC[C@H]1CNCCO1)Nc1ccccc1OCCCc1ccccc1 299797887 CVNBOMMYEYYGMQ-GOSISDBHSA-N 369.465 2.808 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1C 824424330 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360.479 2.824 0 50 FFAA COc1cccc2c(C)cc(N3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)nc12 1704312165 MEOVMFKPNHPMLU-RHSMWYFYSA-N 353.422 2.888 0 50 FFAA Cc1c(Cl)cccc1NC(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704305107 UKJFIOLBTBYCHZ-DOTOQJQBSA-N 368.861 2.547 0 50 FFAA CC(C)(C)c1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)[nH]n1 222186437 AAASYMFLOQTDLN-CJNGLKHVSA-N 373.526 2.787 0 50 FFAA Cc1ccn2cc(CN3CCCN(C(=O)c4ccc(C)nc4)CC3)nc2c1 1772707022 XMHOUISCFDTURI-UHFFFAOYSA-N 363.465 2.694 0 50 FFAA Cn1nccc1CCC(=O)N1CCCN(c2nccc3ccccc23)CC1 1772806814 FUKPLJUTVOEKRH-UHFFFAOYSA-N 363.465 2.640 0 50 FFAA Cc1ccc(CN(C)C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)o1 11818699 GMPFPBGFBKNOJJ-UHFFFAOYSA-N 369.377 2.958 0 50 FFAA CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1OC 16650670 VWNGTEUCEMDFBJ-UHFFFAOYSA-N 362.451 2.944 0 50 FFAA COc1ccc2cc(-c3nccn3CC3(CO)CCOCC3)c(O)nc2c1 1857690794 LQNORRRQXULTON-UHFFFAOYSA-N 369.421 2.602 0 50 FFAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(Cc3ccncc3)C[C@]23CC[C@H]1O3 1857712084 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CC(C)(C)c1ccc2c(N)c(C(=O)N3CC(N4CCCC4=O)C3)sc2n1 2325784660 AKWYWYFAFOFYEB-UHFFFAOYSA-N 372.494 2.623 0 50 FFAA Cc1nc([C@@H](NC(=O)c2cc3c(s2)CN(C)CC3)c2ccccc2)no1 2325797978 CWFFCQKBBGLSCU-KRWDZBQOSA-N 368.462 2.947 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867798 GEGGWBNKUFYLSP-UKRRQHHQSA-N 359.470 2.543 0 50 FFAA CCN(Cc1c(CO)cnc(C)c1O)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 910539561 QPYMBDSULWRRJO-AWEZNQCLSA-N 372.469 2.726 0 50 FFAA COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c(OC)c1 754342 TWSTVZBEFBQGQE-SJLPKXTDSA-N 352.390 2.873 0 50 FFAA biogenic Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cnn2cccnc12 1056841 BITYHARIYORRBT-UHFFFAOYSA-N 364.384 2.982 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)[C@@H]3CCCN(c4ccccn4)C3)C[C@H]2C1 2356147534 AIPFPPGWSNPPEO-OBKDMQGPSA-N 370.541 2.875 0 50 FFAA Cc1cnc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cn1 2356148163 KCAKCVCKHMXFER-QFIPXVFZSA-N 364.493 2.985 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2ccc(-c3cncc(N)n3)cc2)n1 2356149961 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351.406 2.818 0 50 FFAA O=C1C[C@H](Cc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2)C(=O)N1 121808163 SQGKWOBWWYJRLE-HNNXBMFYSA-N 357.793 2.902 0 50 FFAA Cc1cc(=NC(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)cc[nH]1 328651800 WAYJQKQXGMKYHH-MRXNPFEDSA-N 371.510 2.787 0 50 FFAA CC[C@H]1CN(Cc2nccc(C)n2)[C@H](CC)CN1Cc1nccc(C)n1 332184361 OFRNCWBSTLSCDW-HDICACEKSA-N 354.502 2.758 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1nn2cc(C)cnc2c1Cl 215809741 GORKFEJYQCMUGI-CYBMUJFWSA-N 359.817 2.546 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 155592425 NPORBCIIUGHFNY-SFHVURJKSA-N 358.438 2.608 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc3cccnc3c2O)CC1)N1CCOCC1 72428527 OILZPTRDFYZIKI-OAHLLOKOSA-N 369.465 2.513 0 50 FFAA Cc1ncnc(N2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)c1C 72408945 DYHDIIYJQPGMEE-QGZVFWFLSA-N 369.517 2.592 0 50 FFAA CCOCCC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 71748724 HWGPJTYTIXFQFR-UHFFFAOYSA-N 354.454 2.521 0 50 FFAA C[C@](O)(CNC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)O 262983093 CGFYJBUJAGCXFV-KRWDZBQOSA-N 352.456 2.820 0 50 FFAA CCC[C@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1nccn1C 72428123 RHXDETSCJQDERM-AWEZNQCLSA-N 352.398 2.924 0 50 FFAA O=C(O)CCNC(=O)Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 263079433 QZDIGINSMZHDSF-UHFFFAOYSA-N 366.246 2.813 0 50 FFAA Cc1ccccc1C(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72442121 USMSMVRGHYSPFQ-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA COc1ccc(C(=O)CCNc2ccc3c(c2)n(C)c(=O)n3C)cc1OC 30952814 GFOXPCVYLUSMJV-UHFFFAOYSA-N 369.421 2.579 0 50 FFAA biogenic,in-vitro Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccccc3F)CC2)cn1 72418710 UBZRLXISKXWWOL-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA CC(C)[C@H](NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 241684836 QFOYUGMVWXSAPV-NUJGCVRESA-N 358.413 2.590 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)C3CCOCC3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71777042 TVMHYQYJAKRUAN-PWRODBHTSA-N 370.493 2.510 0 50 FFAA Fc1ccccc1-c1cc(NCCCN2CCOCC2)n2nccc2n1 72470504 BMEFJTCTMDKZAF-UHFFFAOYSA-N 355.417 2.670 0 50 FFAA Cc1nc2cc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)ccc2[nH]1 223462181 VWKGNSRXQPKNOZ-IEBWSBKVSA-N 369.396 2.977 0 50 FFAA CCCn1ccc2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc21 175273838 IXPUJWAQMAYRII-MRXNPFEDSA-N 363.483 2.804 0 50 FFAA COc1cc(CCC(=O)N2CCC[C@@H]2Cn2ccnc2C)cc(OC)c1 177201560 JMSOHPIQLXNMJL-QGZVFWFLSA-N 357.454 2.833 0 50 FFAA Cc1ccc(C2(C(=O)N3CCC([C@H](C)N4CCN(C)CC4)CC3)CC2)cc1 82146775 PLZVWCRHIZAMLU-IBGZPJMESA-N 369.553 2.901 0 50 FFAA CC(C)(C)c1ccc(CN2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1 426535405 FTBIFZOQLHOXKW-IBGZPJMESA-N 359.514 2.990 0 50 FFAA Cn1cnnc1SCCNC(=O)N1CC[C@@H](c2ccccc2Cl)C1 426623236 OSQVSMBYZQILOV-GFCCVEGCSA-N 365.890 2.760 0 50 FFAA CCCc1ccc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)o1 82097739 BBTWEPPYPPUCAY-UHFFFAOYSA-N 359.474 2.606 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 82092369 BCBAHOYXBYHASR-IBGZPJMESA-N 351.450 2.810 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95508627 KKKVARYVKLZIMC-UHFFFAOYSA-N 366.465 2.754 0 50 FFAA CC(C)CN1CCc2[nH]cnc2C12CCN(c1cccc([C@H](C)O)n1)CC2 91943004 JRZQLRZKNPMDOC-INIZCTEOSA-N 369.513 2.868 0 50 FFAA NC(=O)CN1CCC(NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 97446868 CCZZOCRGSOHPIH-UHFFFAOYSA-N 368.437 2.550 0 50 FFAA Cc1ccccc1CNC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91269835 DGMZYFHJZLNDIN-NRFANRHFSA-N 355.482 2.929 0 50 FFAA CC(C)(C)C(=O)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91656623 FCQODQBKZPAJHI-UHFFFAOYSA-N 356.474 2.610 0 50 FFAA Cn1cccc1C(=O)C(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 91737469 YYCRGBZYBIZFMD-NRFANRHFSA-N 368.433 2.808 0 50 FFAA Cc1nn(C)cc1NC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1 96137697 VLEJPTNUWUXIOL-AWEZNQCLSA-N 353.386 2.543 0 50 FFAA O=C(CCc1ccc(-c2ccccc2)cc1)N1CC[C@@]2(O)CCNC[C@H]2C1 95359366 CWPPKNMTEXCWJK-GMAHTHKFSA-N 364.489 2.859 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCN(c2ncccn2)CC1 91695269 RHHRCCKBFJGGKS-UHFFFAOYSA-N 363.465 2.774 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)[C@@H]2CCOC(C)(C)C2)c1C 97679940 ZVZBYXYBYFOIJP-MRXNPFEDSA-N 351.491 2.700 0 50 FFAA Cc1cc2cc(C(=O)N3CCC4(CCC(=O)N(CCO)C4)CC3)ccc2o1 91519095 ULYZLVIZXFBPEC-UHFFFAOYSA-N 370.449 2.578 0 50 FFAA O=C(CCc1nc(C2CCCC2)no1)N1CC[C@@H](OCc2ccncc2)C1 268552672 NPWMTWSTFWOJKT-QGZVFWFLSA-N 370.453 2.873 0 50 FFAA CCn1c(CN2CCC(Oc3ccccc3F)CC2)nnc1[C@H]1C[C@@H](N)C1 253393841 PWTWFVRYIAQMTP-GASCZTMLSA-N 373.476 2.685 0 50 FFAA COc1ccc2oc(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)nc2c1 534659684 JZYWSHSERMDKFS-ZDUSSCGKSA-N 358.442 2.605 0 50 FFAA COc1ccc(CN(C)C(=O)CCN2CCCCCC2=O)c2cccnc12 824645531 LXWZRBAOXOEZAR-UHFFFAOYSA-N 369.465 2.995 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 828059957 AXLUQBZMXLLCED-NSHDSACASA-N 351.410 2.636 0 50 FFAA CCCC(=O)c1cn(CC(=O)N[C@@H](C)c2nncn2C)c2ccccc12 822755403 NRTOGGREILTFEA-ZDUSSCGKSA-N 353.426 2.630 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)N(C)Cc2nc(-c3ccccn3)no2)n1 584885535 ZAOQDKGAKJRQMX-NSHDSACASA-N 372.454 2.842 0 50 FFAA CCOc1cc(S(=O)(=O)N[C@H](C)c2nncn2C(C)C)ccc1Cl 670439882 IRCZWBQUDIZWBT-LLVKDONJSA-N 372.878 2.951 0 50 FFAA C=CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ccc2nsnc2c1 1875386498 RVXPKXWHFYGCOW-AGUYFDCRSA-N 356.451 2.519 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)n1 952970247 UXFFXLJMWVIVBG-LLVKDONJSA-N 371.426 2.518 0 50 FFAA COc1ccc(Cc2nc(CCc3cn[nH]c3)n(CC(F)(F)F)n2)cc1 952866973 HIJWKPHIOCPUKN-UHFFFAOYSA-N 365.359 2.948 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccn1C1CC1 1565516040 UGTZSQVPWNCCIN-QAPCUYQASA-N 364.449 2.595 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 277539444 AOLXNJOBQOMYBC-LLVKDONJSA-N 356.348 2.982 0 50 FFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(Cl)ccc1O 170610113 QDZFGKJJHLABOJ-AWEZNQCLSA-N 372.812 2.608 0 50 FFAA Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)n2)cc1 170600846 XVZSLEXOFVOXGF-AWEZNQCLSA-N 372.469 2.739 0 50 FFAA CN1CC[C@H](CNC(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)C1 225484434 IHJKJAKYOWXSFN-LLVKDONJSA-N 353.253 2.861 0 50 FFAA O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)c1ccc(Cl)s1 751431043 QZGRLDCLZYROJH-SECBINFHSA-N 353.799 2.692 0 50 FFAA CCCCC[C@@](C)(CC)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 780733991 DRTLWDGOMUWRKA-LJQANCHMSA-N 364.490 2.677 0 50 FFAA CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C 1529126989 WBIXDLRTQOFUDP-DNVCBOLYSA-N 364.449 2.504 0 50 FFAA Cc1ccc(F)cc1C(=O)N1CCCN(C(=O)c2ccc(CO)cc2)CC1 1529189816 ZFDSFRHZRMYHSO-UHFFFAOYSA-N 370.424 2.615 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529186605 IRUFVEXSUZOIGR-WOJBJXKFSA-N 371.481 2.676 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@H](c3cccc(OC)c3)[C@@H](C(=O)O)C2)s1 219400982 ICLCUPKWBUQDMC-CABCVRRESA-N 374.462 2.963 0 50 FFAA COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccn1 476910663 CCBFDEXEBKKKIP-UHFFFAOYSA-N 357.229 2.962 0 50 FFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCSCC2)ccc1F 1704303862 KEWJGSUSNXXVBT-UHFFFAOYSA-N 365.430 2.744 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN4[C@H](COC[C@H]4C4CC4)C3)cn2)c1 1616083927 OYWRZJVSZWTCSB-SFTDATJTSA-N 364.493 2.747 0 50 FFAA COc1cc(-c2onc(N(C)C[C@H]3CCCO3)c2C(=O)O)ccc1F 1772706069 GTAKCBAUYCNGFF-LLVKDONJSA-N 350.346 2.803 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1C[C@H]2CNC[C@]2(CCc2ccccc2)C1 1772706430 ZLAXTHQYLIZMBT-NFBKMPQASA-N 362.473 2.916 0 50 FFAA Cc1cc(C(=O)N2CCCN(c3nc4ccccc4o3)CC2)nc(C)n1 1772818191 OUGXJHOWDSBGCI-UHFFFAOYSA-N 351.410 2.587 0 50 FFAA C[C@H](CNC(=O)C1CCC1)Oc1cccc(CN(C)Cc2cnccn2)c1 14879781 VJPRQAJDFWSUGD-MRXNPFEDSA-N 368.481 2.792 0 50 FFAA Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccccc1)CCCCC3 169779298 CPJYGEYMPGMSIZ-UHFFFAOYSA-N 350.422 2.872 0 50 FFAA Cc1cc(N2CC[C@@H](O)[C@]3(CCCN(C(=O)c4ccccc4)C3)C2)ccn1 1857684219 DJCBAABANGXHNZ-IFMALSPDSA-N 365.477 2.884 0 50 FFAA Cc1cnc([C@@H](C)NC(=O)c2cc3c(s2)CCOC32CCN(C)CC2)[nH]1 1857686854 FQJBHRXRIQJTCI-CYBMUJFWSA-N 374.510 2.764 0 50 FFAA C[C@@H](C(=O)NCCc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 114717158 UQAXBRROQVPXKJ-PKOBYXMFSA-N 352.482 2.563 0 50 FFAA CN(C(=O)NCCc1cccc(O)c1)[C@H]1CCCN(c2ccccc2)C1=O 115818367 COMNWWNMYPTHQE-IBGZPJMESA-N 367.449 2.772 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2CCN(c3ccccn3)CC2)cn1 328653902 XBNGIQLNZAZJJH-XLIONFOSSA-N 368.485 2.717 0 50 FFAA C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 329002022 HCAWJRKALZMTTO-RDBSUJKOSA-N 353.459 2.875 0 50 FFAA C[C@@H](NC(=O)N1CCOC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 136968451 QSYBZJLRUGLBJC-CYBMUJFWSA-N 370.396 2.940 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)c1cncc(-c2ccccc2)c1 479034899 POTVPZZGPBPEPN-UHFFFAOYSA-N 374.444 2.910 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 782896 FLGDHEPSPRNSKU-UHFFFAOYSA-N 360.435 2.995 0 50 FFAA Brc1ccc(-c2cnc(CN[C@@H]3CCc4nn[nH]c4C3)[nH]2)cc1 2325777685 VKACHIKEXMLPBD-GFCCVEGCSA-N 373.258 2.604 0 50 FFAA Cn1nc(C(=O)N[C@H](CC(=O)O)C2CCC(F)(F)CC2)c2c1CCCC2 2325788683 XASULGQDVUKFEG-CYBMUJFWSA-N 369.412 2.698 0 50 FFAA CN(C)CCC[C@H]1CN(C(=O)Nc2ccc(NC3CCC3)nc2)CCO1 2325807627 HYIRUXNJSJMERL-KRWDZBQOSA-N 361.490 2.621 0 50 FFAA Cc1cccc([C@H](NC(=O)c2cnn3ccc(Cl)c(F)c23)C(=O)O)c1 2325865742 OLMIIXFXOZGWBY-AWEZNQCLSA-N 361.760 2.991 0 50 FFAA CC1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2Br)CC1 753261 DRTSGVATIBBFEV-UHFFFAOYSA-N 362.245 2.568 0 50 FFAA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1217829 ZPHVQVKLDXNFAP-UHFFFAOYSA-N 360.479 2.905 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3cccn(C)c3=O)C2=O)cc1 2356149328 VBQXUVZFXUFCME-QFIPXVFZSA-N 365.477 2.855 0 50 FFAA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1=O 2696649 GLVBTYQZFJNXBR-HNNXBMFYSA-N 371.370 2.538 0 50 FFAA Cc1cnc2c(C(=O)N=c3[nH][nH]c4nccc(-c5ccccc5)c34)cnn2c1 2356163197 ROXDHEWJQNKBSL-UHFFFAOYSA-N 369.388 2.650 0 50 FFAA O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1nccs1 2886097 YUUKORFEVYCHSL-UHFFFAOYSA-N 352.832 2.503 0 50 FFAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(C(=O)c4cc(-c5ccccc5)on4)C[C@@H]13)O2 2356166857 CDZRFDWLURJAQP-JQZBISMTSA-N 367.449 2.523 0 50 FFAA O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 4158603 SQWOTGDXXGRDLO-HOTGVXAUSA-N 362.838 2.952 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1 6741075 KVZDBJRDXYZGOE-GUMHCPJTSA-N 370.493 2.776 0 50 FFAA Cc1noc([C@@H]2CCN(C(=O)Nc3cc(CN)cc(C(F)(F)F)c3)C2)n1 415979306 ZXKZCZGYRBEBNZ-LLVKDONJSA-N 369.347 2.877 0 50 FFAA Cc1cccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)n1 104433248 AVALKPAGYRSBAA-HXUWFJFHSA-N 361.436 2.737 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)no1 55253695 GCMZOONNJMNEDU-OAHLLOKOSA-N 360.458 2.732 0 50 FFAA CCC[C@@H](C)c1nnc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)s1 55199423 CJVQAUGTIZWECU-SECBINFHSA-N 359.459 2.677 0 50 FFAA CCCNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2n[nH]c(C)n2)c1 102534282 SESBIQWHBMTZJA-SECBINFHSA-N 364.837 2.789 0 50 FFAA CC(C)N1CCC(N2CCN(CC3CCCCC3)C[C@H]2CCO)CC1 104634877 BXTJUAKEPFHUAN-OAQYLSRUSA-N 351.579 2.808 0 50 FFAA CC1=NO[C@H](C(=O)N2CCC(O)(c3ccc4nc(C)ccc4c3)CC2)C1 67947325 IQXJBYHTSCNUIC-SFHVURJKSA-N 353.422 2.518 0 50 FFAA C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccc(S(C)(=O)=O)cc1 65488064 YNEDKKCADUQALO-CQSZACIVSA-N 369.446 2.767 0 50 FFAA O=C(c1cccnc1N1CCN(Cc2ccoc2)CC1)N1CCCCC1 65526016 OGUKYTYVIOMRKZ-UHFFFAOYSA-N 354.454 2.623 0 50 FFAA COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)s1 252484466 FXFWWMDYODYHMA-NSHDSACASA-N 372.468 2.588 0 50 FFAA CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@@H](C)CN(C)C 252493120 MZPOJAYASFZVSK-HNNXBMFYSA-N 360.502 2.907 0 50 FFAA COc1ccccc1CN(C)C(=O)CNc1ccc(NC(C)=O)cc1OC 434889608 XSUNUTGHWJOGPG-UHFFFAOYSA-N 371.437 2.733 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2c1 69291793 QCUVDVNASCXMNG-KRWDZBQOSA-N 353.466 2.788 0 50 FFAA CNC(=O)[C@H]1CCN(Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)C1 67690984 SYZHGMDIQBFQHF-AWEZNQCLSA-N 373.453 2.544 0 50 FFAA CC(C)CCN1C[C@]2(CCCN(C(=O)c3ncccc3O)C2)CCC1=O 77505744 YGIVNWDYZVDYNQ-FQEVSTJZSA-N 359.470 2.678 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)OC1=O 77408142 VKKIDTPQLSZOJM-QGZVFWFLSA-N 365.518 2.578 0 50 FFAA C[C@H](O)c1cnc(CN(C)C2CCN(CCc3ccccn3)CC2)s1 366019552 GEOLMZMLNUAKQB-HNNXBMFYSA-N 360.527 2.730 0 50 FFAA Cc1nnc2ccc(N3CCC[C@H](C(=O)NC4CCCCCCC4)C3)nn12 32071200 PNSHYQHGDCXVSY-INIZCTEOSA-N 370.501 2.878 0 50 FFAA O=C(NCc1cccc2cccnc12)Nc1cnn(C[C@@H]2CCCO2)c1 120259994 WYNJSQIYFHXJEA-KRWDZBQOSA-N 351.410 2.932 0 50 FFAA CC(C)C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 65362998 BDVLUZIHHJGRGI-QGZVFWFLSA-N 352.500 2.562 0 50 FFAA Cc1c(Br)cnn1CCc1nc2c3ccccc3ncn2n1 2808046 RBTNNHWFMSCCDH-UHFFFAOYSA-N 357.215 2.788 0 50 FFAA CC(C)Oc1ccc(N(C)C(=O)[C@H]2CC23CCS(=O)(=O)CC3)cc1 365252123 UWPQDEHLZZJQFA-MRXNPFEDSA-N 351.468 2.652 0 50 FFAA O=C(c1cc(F)ccc1-c1ccoc1)N1CCC[C@H](N2CCNC2=O)C1 365545238 HRTZHLFBJYBUKL-HNNXBMFYSA-N 357.385 2.716 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)c2cscc2C)CC1 328633469 MBGNQRWEASGRHS-QGZVFWFLSA-N 372.494 2.890 0 50 FFAA Cc1cc(C)n2nc(C(=O)N3CCCC[C@H]3CCn3ccnc3C)cc2n1 77423585 LKISKVCYKIIMRY-KRWDZBQOSA-N 366.469 2.936 0 50 FFAA CN1CCC(Cc2noc(-c3cn(Cc4ccc(Cl)cc4)nn3)n2)CC1 72149147 HXXORVFTJGVOLD-UHFFFAOYSA-N 372.860 2.914 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1O 77519274 ZXKODUWSZLZYPO-NRFANRHFSA-N 356.466 2.955 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)c1 77358239 JUITTXIAMWVBHE-UHFFFAOYSA-N 369.465 2.981 0 50 FFAA COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)c1 72150530 CCHXZCPNDTWTPF-MRXNPFEDSA-N 374.418 2.656 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(F)cc2)CC1 218989163 WVAFPXNGGQFNII-QGZVFWFLSA-N 363.433 2.532 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1nn2cc(C)cnc2c1Cl 215809699 GORKFEJYQCMUGI-ZDUSSCGKSA-N 359.817 2.546 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CCOC[C@H](O)C3)cc(C)c2c1 77342165 QBGLFURLJTVCRF-OAHLLOKOSA-N 360.479 2.554 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)c2ccc3c(c2)ncn3C)n1 215020451 XHFAEUSDCNSXCF-UHFFFAOYSA-N 366.469 2.856 0 50 FFAA CCCOC[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2c(C)nn3C)C1 72409236 ISWADUVRNOOTRJ-OAHLLOKOSA-N 366.469 2.987 0 50 FFAA CCCO[C@H](C)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82148034 XRUQKGOXNGMNEC-MRXNPFEDSA-N 362.518 2.853 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cc2)C1 47977132 KRLDGZGKXJYZRG-NSHDSACASA-N 354.248 2.781 0 50 FFAA CC1=C(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)SC2=NCCN21 82121442 WCNLOVIMCVXDFG-HNNXBMFYSA-N 371.510 2.649 0 50 FFAA Cn1cnnc1CC1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1 82087512 VEDJBSYILHCHSW-UHFFFAOYSA-N 351.410 2.565 0 50 FFAA O=C(c1cnc2ccccc2c1)N1CCCC[C@H]1CCN1CCOCC1 82121915 GPLBXLBDGJJOSP-IBGZPJMESA-N 353.466 2.952 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)N1CCC[C@@H](c2ccn[nH]2)C1 221385299 KWXMWTFRHDKSJX-CYBMUJFWSA-N 355.398 2.782 0 50 FFAA O=C(Nc1ccccc1C(F)(F)F)N1CCN(C[C@@H]2CCOC2)CC1 178620981 YYHAGJMHFVOTTG-ZDUSSCGKSA-N 357.376 2.891 0 50 FFAA Cn1c(SCC(=O)NC2CCCCCCC2)nnc1[C@@H]1CCCNC1 426475334 CLHHLOODXLMPKR-CQSZACIVSA-N 365.547 2.603 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1Cl 145864456 CFVOUPJKHJNMRX-UHFFFAOYSA-N 372.918 2.988 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N[C@H]4CCOC4)csc3C2)nc1 426389279 QQTWYVNXNBWRAT-INIZCTEOSA-N 371.506 2.783 0 50 FFAA C[C@H](NC(=O)c1cccc(-c2ccc(C(N)=O)o2)c1)c1nc(C2CC2)no1 426424228 ITDHLSUYIGQAMF-JTQLQIEISA-N 366.377 2.797 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)NCc2noc([C@H]3CCCO3)n2)cc1 96135924 WFNLDINNELNREF-OAHLLOKOSA-N 368.397 2.737 0 50 FFAA CC(C)C(=O)N1CCC[C@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1 426361059 CWSGFVYYYQZWQQ-QGZVFWFLSA-N 372.513 2.865 0 50 FFAA C[C@H](NC(=O)c1cnc2c(cnn2C)c1O)c1cccc(N2CCCC2)c1 179718615 GZBGSZWETVKGII-ZDUSSCGKSA-N 365.437 2.765 0 50 FFAA O=C(NC1(c2cccc(Cl)c2)CC1)[C@H](c1cccnc1)N1CCOCC1 95525036 YHHZWOXWXDXRLR-SFHVURJKSA-N 371.868 2.914 0 50 FFAA CCNc1ncc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cn1 91270617 ZOOXBOVLPKDZOE-OAHLLOKOSA-N 356.426 2.949 0 50 FFAA NCCc1ccc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 91808391 DTMDLCXLIVUAJJ-UHFFFAOYSA-N 355.526 2.802 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1 239038646 DPLNQFIZXCWJQZ-SJUNHDGSSA-N 370.836 2.704 0 50 FFAA Cc1nc(CCNC(=O)c2cccc([C@@H]3CCCNC3)c2)nc2c1CCC2 95362033 RIEFJZUABVMDCA-GOSISDBHSA-N 364.493 2.713 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)N3CCN(Cc4noc(C)n4)CC3)c(C)c2c1 91350802 AAFORDIFQDICND-UHFFFAOYSA-N 367.453 2.743 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H](c1cccc(F)c1)N(C)C 95356389 JOQJTZMHGRYBJQ-KRWDZBQOSA-N 369.400 2.532 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)Nc3ccccc3F)C2)CCC1=O 91289231 YVHGBKXAQCNJLR-LJQANCHMSA-N 363.433 2.709 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H](C)Oc1ccc3ccccc3c1)C2 91782462 QXYMZQINWHTIMW-ZDUSSCGKSA-N 363.417 2.552 0 50 FFAA O=C(COc1ccc(F)cc1F)NC[C@@H](O)COc1ccc(Cl)cc1 92065312 BMJNXGMZZAPRPV-CYBMUJFWSA-N 371.767 2.553 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)ccc2OC)C1 95529068 FEXKEUJXLMVVKH-AWEZNQCLSA-N 361.417 2.697 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(c2c(C(=O)O)cnc3c2c(C)nn3C)C1 91587453 JATSLSCHVKTKGJ-CYBMUJFWSA-N 368.441 2.575 0 50 FFAA Cc1ccn2c(F)c(C(=O)N3CCCC[C@@H]3CCN3CCCC3=O)nc2c1 91849109 HRTOSCFSTVYASV-OAHLLOKOSA-N 372.444 2.789 0 50 FFAA CN1CCC(Cc2nc(-c3ccc(CO)o3)n(Cc3ccccc3)n2)CC1 96139682 FOXSFZJNYGRIHW-UHFFFAOYSA-N 366.465 2.963 0 50 FFAA Cc1nccc(C2CCN(CCN3CCN(c4ccccc4)CC3)CC2)n1 244734484 NGIGAJPMCJFUSD-UHFFFAOYSA-N 365.525 2.787 0 50 FFAA C[C@@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1 244690835 IXTRNFWLBMPYLQ-CYBMUJFWSA-N 359.499 2.600 0 50 FFAA Cc1ccc(C)n1CC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 252500214 SPIXUFNQNVUTAS-UHFFFAOYSA-N 361.467 2.674 0 50 FFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NC1CCCCC1)C=C2 253414889 YYPUCMXPIQTIPQ-UHFFFAOYSA-N 372.465 2.898 0 50 FFAA biogenic COc1ccc2c(c1)[C@H](NC(=O)CN(C)Cc1cccnc1)CC(C)(C)O2 299763408 WADQHNKMPXHGHB-GOSISDBHSA-N 369.465 2.941 0 50 FFAA CCN(C)C1(CNC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCCC1 299781102 DCKVWGVFXZOYJS-UHFFFAOYSA-N 352.866 2.825 0 50 FFAA O=C(COC[C@H]1CCCO1)NCc1cc(-c2ccccc2Cl)no1 299795427 LIJUNYHRNPYTQX-GFCCVEGCSA-N 350.802 2.807 0 50 FFAA Cn1nc2cccc(NC(=O)N3CCC[C@@H](OCc4cccnc4)C3)c2n1 299784922 NCVVLMCCHCWNTP-OAHLLOKOSA-N 366.425 2.576 0 50 FFAA Cc1ccccc1[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1cccs1 584902239 BGNNWPDZDQOHSO-MRXNPFEDSA-N 364.492 2.586 0 50 FFAA CC[C@H](C)Cc1nc(CCn2c(C)cccc2=O)n(-c2cccnc2)n1 822620041 QMOUJCLFZPWCOD-HNNXBMFYSA-N 351.454 2.964 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1COc2ccccc2O1)CC3 584884735 MJUOMFSNQJTWQP-HXUWFJFHSA-N 364.401 2.901 0 50 FFAA O=C(CCNC(=O)N1CCC(Cc2ccc(F)cc2)CC1)N1CCCC1 584903067 AOVSBNJSCVSTFZ-UHFFFAOYSA-N 361.461 2.802 0 50 FFAA C=CC(=O)N1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)[C@@H](C)C1 1875381425 UTLOFILBEFGLGH-QWRGUYRKSA-N 371.300 2.859 0 50 FFAA CCC(=O)N[C@@H](C(=O)N1CCC2(CCC[C@H]2CN)CC1)c1ccccc1 1875277943 OSQJZWVGLARSOS-PKOBYXMFSA-N 357.498 2.622 0 50 FFAA CCc1cc(C(=O)N2C[C@@H](NC(=O)c3c(C)cccc3Cl)C[C@H]2C)n[nH]1 1875308218 UXHJEYKEDAUUDV-OCCSQVGLSA-N 374.872 2.967 0 50 FFAA Cc1nccn1Cc1ccccc1NC(=O)c1ccc(-c2nnn(C)n2)cc1 952971612 HTJDCEWDNVGZIY-UHFFFAOYSA-N 373.420 2.683 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2ccccc2OC2CC2)C1 886093952 KWKRNKQQSRAOPR-QRQLOZEOSA-N 358.482 2.942 0 50 FFAA Cc1ccc(S(=O)(=O)C2CCN(Cc3cc(Cl)n(C)n3)CC2)cc1 1330730376 DJJWMABRJLWDHK-UHFFFAOYSA-N 367.902 2.820 0 50 FFAA Cc1ccc2nc(-c3ccc(F)cc3)c(CN3CC[C@H](NC(N)=O)C3)n2c1 892245667 YHMUMGFNOUMTKE-INIZCTEOSA-N 367.428 2.691 0 50 FFAA C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCO1 273576480 OUTGPIUTYVUXGB-NEWSRXKRSA-N 358.482 2.542 0 50 FFAA O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCC[C@H](c2ccn[nH]2)C1 170676757 POYWEBUAGSNARZ-HOCLYGCPSA-N 372.494 2.872 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 279220902 FOXYILWJIASACP-HKUYNNGSSA-N 368.481 2.917 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cccnc1 170838765 MPAYJXWMOODYTR-CRAIPNDOSA-N 367.449 2.962 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 186660448 ZZVRWLOUOABRPN-INIZCTEOSA-N 373.428 2.693 0 50 FFAA O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1CCCN(c2ncccn2)C1 171386394 PKFKOTAPLLREHQ-MRXNPFEDSA-N 353.426 2.592 0 50 FFAA Cc1nc(C2(NC(=O)NCc3cc(COC(C)(C)C)on3)CCC2)no1 188995551 HEYVWYHBOGCBEB-UHFFFAOYSA-N 363.418 2.560 0 50 FFAA Cc1ccc(Cc2nc(C(=O)N[C@@H](C)c3nnnn3C3CC3)cs2)cc1 191650913 WTUSGKLMADGHSY-LBPRGKRZSA-N 368.466 2.855 0 50 FFAA CO[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 193157696 CNOJFMWARAEBJJ-IBGZPJMESA-N 352.434 2.795 0 50 FFAA C[C@@H](NC(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 194065438 MIMRKJKNLZINLF-OCCSQVGLSA-N 372.387 2.909 0 50 FFAA CN(C)c1nccnc1N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 1529167604 KKJCNCAYORKMOE-OAHLLOKOSA-N 350.426 2.977 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(Oc3ccncc3)CC2)cc1OC 1529172141 JZPKDDBIDBQQGD-IBGZPJMESA-N 372.421 2.768 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cc1F 1704303856 CKFKLODGBFUGQA-TZIWHRDSSA-N 373.424 2.715 0 50 FFAA CN(C)c1nc(N[C@@H]2COC[C@H]2Cc2ccncc2)cc(C(F)(F)F)n1 1704299535 RDIOHEZCELKIQG-CHWSQXEVSA-N 367.375 2.626 0 50 FFAA COc1ccccc1OCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](N(C)C)C1 211925721 PPMJYJQEARAXMY-MOPGFXCFSA-N 368.477 2.939 0 50 FFAA COc1ccc(CC(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1 1616077696 HLDTYCYMTSQCOC-FPOVZHCZSA-N 366.461 2.522 0 50 FFAA CN1CCCc2cc(C(=O)N3CCC(CCC(=O)NC4CC4)CC3)ccc21 11874712 DPVWBZSEQUZFDW-UHFFFAOYSA-N 369.509 2.980 0 50 FFAA COCCCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11957470 GQDBERMPXFLYTF-AWEZNQCLSA-N 372.387 2.597 0 50 FFAA CCCNC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12208500 LZPZWSZYNWGEQL-LJQANCHMSA-N 365.424 2.899 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 12448795 RXMHEMSLGDFXKX-MRXNPFEDSA-N 371.437 2.708 0 50 FFAA O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc2ccccc12 13607754 GAAJZDHGBXYJQX-QFBILLFUSA-N 352.434 2.709 0 50 FFAA CN1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 14742641 FPXZSUKLPAKLJW-UHFFFAOYSA-N 364.449 2.510 0 50 FFAA CC[C@@]1(CCC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)CCC(=O)N1 14992222 DNYPKFBJXZCJHO-KNQAVFIVSA-N 372.509 2.668 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(-n3ccnc3C)cc2)CC[C@H]1N 1857721016 VJBLGYFZTMTOCX-DFQSSKMNSA-N 370.497 2.720 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@]23CC[C@H]1O3 1875251086 LPLJVBPOHKSAFW-BSDSXHPESA-N 368.399 2.821 0 50 FFAA COC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(C)o1 266896828 CNGPAGFVEHKVDF-ROUUACIJSA-N 370.449 2.944 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(Cl)c1 926152889 LXFAWSHCVHBHTI-YWTNHNAXSA-N 350.890 2.858 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCCc2ccccc2C1 2100542685 DUTUOJFSIDAYCW-UHFFFAOYSA-N 357.479 2.877 0 50 FFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@@H](C)c1nc([C@H](C)O)n[nH]1 2325851701 GTMADRORWFRGFJ-UWVGGRQHSA-N 359.817 2.859 0 50 FFAA NCc1ccc2nc(C(=O)Nc3ccc(Br)cc3O)cn2c1 2325861588 UQFVLFGHXLRTLY-UHFFFAOYSA-N 361.199 2.513 0 50 FFAA CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2ccc3cccnc3c2)C1)C(F)F 2325870519 AWLVCRRLNBXHPZ-HDJSIYSDSA-N 361.392 2.903 0 50 FFAA O=C(O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1 897609 FMUMEDHFYUKQRJ-UVHRUJRTSA-N 365.429 2.743 0 50 FFAA COc1ccc(C2(CNS(=O)(=O)c3ccccc3)CCOCC2)cc1 1115900 ODTTVFOGXDKGCL-UHFFFAOYSA-N 361.463 2.722 0 50 FFAA COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 1462359 LUMAFAGRXPYVOQ-UHFFFAOYSA-N 366.461 2.906 0 50 FFAA biogenic COC(=O)c1sc2ncn([C@H](C)C(=O)Nc3ccccc3)c(=O)c2c1C 1980434 FYTPCWONOMBJIB-LLVKDONJSA-N 371.418 2.753 0 50 FFAA O=c1cc(CN2CC[C@H]3[C@@H]2CCN3CCc2ccccc2)nc2ccccn12 2356144905 RGNWVJGQZVZUAW-SFTDATJTSA-N 374.488 2.586 0 50 FFAA Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC(C)C 2356146949 BENAOFRTTIQSHA-VYDXJSESSA-N 369.469 2.512 0 50 FFAA COc1cccc2c1C1(CCN(Cc3ccn4ncnc4c3)CC1)OCC2 2356162493 LGPPQNDQBOAIPV-UHFFFAOYSA-N 364.449 2.802 0 50 FFAA COC(=O)[C@H]1CC12CCN(c1nccc(-c3ccc(C)nc3C)n1)CC2 2356165464 ALMZXVLMUIQQED-MRXNPFEDSA-N 352.438 2.935 0 50 FFAA Cn1c2ccccc2c2nnc(SCC(=O)NCc3cccs3)nc21 1428988 HWILAKRTJIOZLO-UHFFFAOYSA-N 369.475 2.987 0 50 FFAA CCc1oc(C(=O)NC[C@@H](O)Cc2ccccc2)cc1CN1CCCC1 55167707 QXERZQKWJNUKCO-SFHVURJKSA-N 356.466 2.771 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N[C@H](CC(C)C)c3cccnc3)cc2C1 65468031 PZBCABQETNNVDD-GOSISDBHSA-N 369.469 2.548 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2nonc2C)c1 55134259 MDYBJZAJBHSFDP-UHFFFAOYSA-N 352.350 2.891 0 50 FFAA Cc1cc([C@@H](C(=O)O)N(C)Cc2nc(-c3ccncc3)no2)ccc1F 55393482 CEIHOLAUKOJACB-INIZCTEOSA-N 356.357 2.837 0 50 FFAA CC[C@@H](O)Cn1ccc(-c2cccc(-c3ncc(F)c(N(C)C)n3)c2)n1 20785659 IDGATIJXFAUJAX-OAHLLOKOSA-N 355.417 2.983 0 50 FFAA Cc1cc(NC(=O)CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)on1 249728124 RLDYEIXFTYQKIB-CZUORRHYSA-N 370.236 2.818 0 50 FFAA CC(C)c1nc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cs1 67688640 IFYNQQGIOSFMDD-DZGCQCFKSA-N 374.462 2.986 0 50 FFAA CC1=C(C(=O)NC23CC4CC(CC(C4)C2)C3)[C@H](c2cccnc2)NC(=O)N1 67821551 PFWCXMZFBLDBBV-TYUXRXASSA-N 366.465 2.795 0 50 FFAA Cc1noc(-c2ccc(N3CCC4(CCC(=O)N(C)CC4)CC3)nc2)n1 67833792 OVWCQMBIPNWXPD-UHFFFAOYSA-N 355.442 2.669 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ncnc3c2CCCC3)c1 152134101 DSILANHBTJJARE-KRWDZBQOSA-N 366.465 2.876 0 50 FFAA O=C(Nc1cccc2c1OCCO2)N1CCN(c2ccncc2Cl)CC1 153628795 VJLUBMNAAJIWNL-UHFFFAOYSA-N 374.828 2.860 0 50 FFAA O=C(c1cnc2ccccn12)N1CCCN(C2Cc3ccccc3C2)CC1 77320639 UYGCWCDQGXEDSX-UHFFFAOYSA-N 360.461 2.650 0 50 FFAA Cc1nccn1CCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 219326214 IPGQYLJMIVERHL-QYGXFBIXSA-N 364.449 2.758 0 50 FFAA CC(C)C(=O)NCc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1 71760304 PMFJTOCOXQBAGI-UHFFFAOYSA-N 357.498 2.565 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cs1 368162343 JBPVYSXNPPTMFI-SFHVURJKSA-N 357.435 2.711 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@H]2CCN(C(=O)c3oc(C)cc3C)C2)o1 371243482 KNVXBNDAOLAROM-HNNXBMFYSA-N 359.426 2.710 0 50 FFAA O=C(Nc1cccc(F)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72446904 UWUREKWIXYYHMA-UHFFFAOYSA-N 370.432 2.570 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(-c2nnc(S)o2)cc1 128388446 RXECKTRMRLWFIE-MJBXVCDLSA-N 357.435 2.713 0 50 FFAA Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 237327644 SFLQYWFTVXDLBU-NEPJUHHUSA-N 361.305 2.505 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCCC[C@@H]1c1ncon1 158247153 XDGYRYJESYLWIB-CYBMUJFWSA-N 371.363 2.742 0 50 FFAA CN1C[C@@H]2[C@@H](CCCN2C(=O)NCc2csc(-c3ccccc3)n2)C1=O 375540548 NUBYHARIGSKAMM-HZPDHXFCSA-N 370.478 2.572 0 50 FFAA O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 334128948 RVVNHNMDRCOQJR-ZMMAXQRCSA-N 365.857 2.872 0 50 FFAA Cc1ccn2c(=O)cc(CN3CCCC[C@H]3CCn3cccn3)nc2c1 77301254 HDWQIVXLKWHLLW-SFHVURJKSA-N 351.454 2.644 0 50 FFAA COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1C 72442475 ZWZLEYHCVLJYSL-UHFFFAOYSA-N 354.450 2.766 0 50 FFAA CCOc1ccc(C(=O)N2CCC(NC(=O)c3cc[nH]c3C)CC2)cc1 175178193 FLHVCHDMCMLXKW-UHFFFAOYSA-N 355.438 2.756 0 50 FFAA COC[C@H](NC(=O)N1CCN(c2nc(C)cs2)CC1)c1ccc(C)o1 175661371 IFYKYYUYIRPNGN-AWEZNQCLSA-N 364.471 2.572 0 50 FFAA C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)n1ccc2ccccc2c1=O 287899350 CGHDFCNTUOPATF-GJYPPUQNSA-N 364.449 2.869 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)COc1ccccc1)[C@H]1C[C@H](O)C1 222588406 GWLAIKUTFARMAG-IAMHBRQHSA-N 359.397 2.842 0 50 FFAA CN1CCN(c2ccc(C(=O)N(C)C[C@H]3Cc4ccccc4O3)cc2)CC1 221332643 AMBNSKKVPFLXAO-HXUWFJFHSA-N 365.477 2.514 0 50 FFAA Cc1nc(C2CC(O)C2)cc(N(C)Cc2nccn2Cc2ccccc2)n1 222520889 SGHCXSJPHCPZPP-UHFFFAOYSA-N 363.465 2.905 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@@H]1CCN(c2ccccc2F)C1 290328727 BKSJRPAIZRVXQK-CQSZACIVSA-N 369.444 2.772 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1 178277148 DEENHNJLLYEVMR-MRXNPFEDSA-N 356.353 2.656 0 50 FFAA O=C(O)C1CCN(C(=O)Cn2ccc3c(Br)cccc32)CC1 40285547 OSQFQAQVUGEMGT-UHFFFAOYSA-N 365.227 2.727 0 50 FFAA COc1ccc(CC(=O)N[C@@H]2CCCCN(C(=O)C3CCC3)C2)cc1OC 82160773 FVTWKGPEKJYEIL-QGZVFWFLSA-N 374.481 2.544 0 50 FFAA CCCc1noc([C@@H](C)NC(=O)c2ccc(-c3nccnc3OC)cc2)n1 426689869 NPLLKZYENYPLKB-GFCCVEGCSA-N 367.409 2.979 0 50 FFAA CC(=O)c1ccc(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)nc1 82160860 HVFKUXQFXPUVIB-UHFFFAOYSA-N 368.485 2.656 0 50 FFAA COc1ccc(CN(C)Cc2n[nH]c3c2CCC3)cc1Cn1cccn1 97636706 SDDQRTJWAQXMTC-UHFFFAOYSA-N 351.454 2.784 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)cn2c1 91808129 QRBYZIKCFOHMBJ-QGZVFWFLSA-N 350.422 2.859 0 50 FFAA O=C(CCC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1)Nc1ccccc1 91781192 NDYKGRGUOMAABH-GOSISDBHSA-N 366.461 2.989 0 50 FFAA O=C1NCCN(C(=O)c2ccc3ncsc3c2)[C@H]1c1cccc(F)c1 97813844 ZIUUOALVWYUIIJ-INIZCTEOSA-N 355.394 2.749 0 50 FFAA CCCOc1c(Cl)cccc1NC(=O)NCc1noc(COC)n1 96164435 DTHAIRYMTMLKTH-UHFFFAOYSA-N 354.794 2.980 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CC(Oc2ccccc2)C1 91563204 YDNGEIGCQZQMEN-MOPGFXCFSA-N 358.482 2.999 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)C2)n1 95528921 XWJRCOUCYVIEDH-CQSZACIVSA-N 367.413 2.883 0 50 FFAA CC(C)CC(=O)C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 91596121 PWZCUJANJQXGKV-GOSISDBHSA-N 370.493 2.856 0 50 FFAA CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(C)o2)c1 95366964 BFSKRPSMOFUUBZ-ZDUSSCGKSA-N 364.467 2.637 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244712715 KVGMPZYUBNBXNZ-QOKNQOGYSA-N 356.470 2.739 0 50 FFAA CCc1noc(C)c1CNC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 297636631 CTAVGEDTPGXWAP-HDICACEKSA-N 368.481 2.819 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@@]2([Si](C)(C)C)C[C@H]1[C@@]13O[C@]21[C@H]1CC[C@H]3C1 257356067 FLSJOHCNSGTBJL-YJOXNLOASA-N 362.498 2.679 0 50 FFAA COC1CCN(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 534658172 OQDCNVMBBVTIMG-AWEZNQCLSA-N 352.500 2.572 0 50 FFAA c1nc(N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c2cc[nH]c2n1 72167851 FMIXDFUEEMCIOL-AWEZNQCLSA-N 351.410 2.810 0 50 FFAA Cc1cc2cccc(C(=O)NCC[C@@H]3CCCCN3S(C)(=O)=O)c2o1 299797981 UEHHGCKMTUTRQQ-HNNXBMFYSA-N 364.467 2.675 0 50 FFAA CC(=O)NCCCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299800579 TWXUGXRLVHJZSV-KSZLIROESA-N 354.454 2.831 0 50 FFAA CO[C@@]12CC[C@H](OCC(=O)O)C[C@@H]1N(Cc1cc3ccccc3[nH]1)CC2 299793584 GQTCZGNGTHZFJO-XKGZKEIXSA-N 358.438 2.781 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 299776097 KJRXMQTWPBAGEN-INIZCTEOSA-N 367.457 2.915 0 50 FFAA O=C(c1cnccn1)N1CCC(NCCCn2ccc3ccccc32)CC1 828202198 GACORIRPWLXQJP-UHFFFAOYSA-N 363.465 2.716 0 50 FFAA O=C(NCc1nc(-c2ccc(F)cc2)no1)N1CCOC2(CCCC2)C1 584884340 RVBKLLABODCCPF-UHFFFAOYSA-N 360.389 2.730 0 50 FFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CC(=O)OC12CCCC2 823624166 VHJIJHGWCFTKSN-MRXNPFEDSA-N 353.422 2.911 0 50 FFAA CN1Cc2cc(C(=O)N3CCc4cc(O)cc(F)c4C3)ccc2NC1=O 1875297944 JBWZUBUOABTCJC-UHFFFAOYSA-N 355.369 2.707 0 50 FFAA Cc1ccccc1-n1nc(C)c(CNC(=O)N2C[C@@H](O)C[C@@H]2C2CC2)c1C 1875269846 ZAHRAASASPMMAO-FXAWDEMLSA-N 368.481 2.852 0 50 FFAA CSc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3C(=O)[C@H]2C[C@@H]2C)ccn1 1875388352 XXVMSDAAAAGZPD-HNKHHVNMSA-N 359.495 2.665 0 50 FFAA COC(=O)/C=C/CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 1875311497 BRVSJAXGYUJGQB-RMKNXTFCSA-N 361.829 2.661 0 50 FFAA Cc1nc2c(N[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)CC34CCC4)ncnc2s1 1875407876 JSDRVMNGVANVRF-WCFLWFBJSA-N 357.483 2.844 0 50 FFAA COc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1C(=O)N(C)C 952862311 ORVHCRKIVGXEAA-UHFFFAOYSA-N 368.393 2.802 0 50 FFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cn1ccnc1-c1ccccc1)C2 1565530522 JZEISNGUOBBXDW-HKUYNNGSSA-N 352.482 2.883 0 50 FFAA Cn1cc(CCNC(=O)N2CC[C@H](N3CCCC3)C2)c2ccc(F)cc21 185853441 FAHPOFJMURLDSQ-KRWDZBQOSA-N 358.461 2.740 0 50 FFAA CC(C)c1ccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(CC(=O)N(C)C)C3)cc1 1073373823 CEGPUTVZYRFHRN-APWZRJJASA-N 372.513 2.826 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cccc(C(N)=O)c2)CC1 275719309 OFTYKJGMSJDUOD-HXUWFJFHSA-N 352.482 2.667 0 50 FFAA COc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1 212524587 VXVCIZSOMAWMTO-VJTUXUFQSA-N 371.845 2.591 0 50 FFAA Cc1ccc(NC(=O)CNC(=O)c2ccsc2)cc1NC(=O)N(C)C 225448998 NFWOQRFWECYMLN-UHFFFAOYSA-N 360.439 2.519 0 50 FFAA Cc1ccn2c(NS(=O)(=O)c3cc(C)c(F)cc3Cl)nnc2c1 225473692 JSRBQPSNKOYWDP-UHFFFAOYSA-N 354.794 2.939 0 50 FFAA CCN(C[C@H]1CCN(c2cc(N3CCCC3)ncn2)C1)CC(F)(F)F 192327257 SCKJYHWLIZLYDB-CQSZACIVSA-N 357.424 2.787 0 50 FFAA COc1ccc2c(NC(=O)[C@H](C(C)C)N3C[C@@H](C)O[C@H](C)C3)n[nH]c2c1 194818212 FLPKKTGRKSQLHW-XNJGSVPQSA-N 360.458 2.644 0 50 FFAA CC(C)Oc1ccc(Cl)cc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529106789 ROIJVOWAOHAKFE-RDTXWAMCSA-N 361.873 2.953 0 50 FFAA CCc1nn(C)c(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c1C 1529181393 NMIKCCIOWBXDFU-UHFFFAOYSA-N 353.426 2.581 0 50 FFAA O[C@@H]1CCCN(c2ccnc(NCCCN3CCCc4ccccc43)n2)C1 1704340909 XVMWXLJGPSFJHH-GOSISDBHSA-N 367.497 2.693 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1ccc(F)cc1Cl 1704327433 FGZPQIBYFSOGQD-UHFFFAOYSA-N 352.841 2.644 0 50 FFAA CC1(C)Cc2nc3sc(C(=O)NCCCO)c(N)c3cc2CS1 5025186 MZWRNXQPXJJJSO-UHFFFAOYSA-N 351.497 2.559 0 50 FFAA CS(=O)(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 5484700 RTDCGAJKWXNNCS-UHFFFAOYSA-N 357.888 2.545 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CC4CC4)C3)C2=O)c1 11933666 PXMTZEKJJJJYCH-OAQYLSRUSA-N 374.456 2.976 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(CCCn3cccn3)C2)c(OC)c1 12387445 BTZPFFRPHAZWSN-MRXNPFEDSA-N 357.454 2.885 0 50 FFAA COc1ccc(-c2n[nH]cc2CN(C[C@H]2CCC(=O)N2)C(C)C)c(F)c1 12434188 IMAVLOIUNFXFSE-CQSZACIVSA-N 360.433 2.713 0 50 FFAA Cc1nonc1CNC(=O)[C@@H]1CC(Cc2cccc3ccccc23)=NO1 15071131 LKPDCAPCHWUEAW-SFHVURJKSA-N 350.378 2.535 0 50 FFAA CNc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 16133982 RZZSNWPAXYITEJ-UHFFFAOYSA-N 354.336 2.512 0 50 FFAA CCOc1cc(CN2CCC[C@@H](N3CCC(CO)CC3)C2)ccc1OC 19835912 DPOZURQGIQXDTM-LJQANCHMSA-N 362.514 2.763 0 50 FFAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1csc(-c3ccc(C(F)(F)F)cc3)n1)C2 1857673117 OIEYWFRRMWQKFN-JQWIXIFHSA-N 367.352 2.542 0 50 FFAA N[C@H](Cc1ccccc1)c1nc(CC2CC2)nn1CC(=O)NC1CCCC1 1857682657 YHFYDGBYAWHQAK-GOSISDBHSA-N 367.497 2.532 0 50 FFAA CCCc1cnc(C)nc1N1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857712758 GOLULLSHJDSWCI-FPOVZHCZSA-N 373.472 2.669 0 50 FFAA CCCc1nnc(N2C[C@H](C(=O)NCC3(CC)CCC3)CC2=O)s1 1857730547 WATAUNOOUNOPHH-GFCCVEGCSA-N 350.488 2.540 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(C(=O)c2ccsc2)CC1 328656735 ZQGYTBSXHUEKMP-HNNXBMFYSA-N 356.513 2.557 0 50 FFAA O=C(c1cnc2c(c1)N=C(O)CS2)N1CC[C@@H](CN2CCCCC2)C1 329022181 MKWWGFJPWXPURA-ZDUSSCGKSA-N 360.483 2.723 0 50 FFAA C[C@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)CCN1Cc1ccccc1 237561896 WDCHMVZECUHZPO-GOEBONIOSA-N 358.511 2.727 0 50 FFAA COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1 781001 KRBJBAQOCYTHAU-UHFFFAOYSA-N 359.386 2.541 0 50 FFAA NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 4019129 MAVGXAKPWNROPG-WDEREUQCSA-N 362.451 2.721 0 50 FFAA Cn1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c2nc(-c3ccccc3)ccc21 2325779826 GXMIMFOTYXWJIQ-MRXNPFEDSA-N 374.444 2.687 0 50 FFAA O=C(NC[C@]1(F)C[C@@H](C(=O)O)C1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 2325788473 IPXRXPZKBVYVCU-DXPFQBAHSA-N 374.290 2.999 0 50 FFAA C[C@@H]1CN(c2ccncc2)CCN1c1ncnn2cc(Br)cc12 2325802549 NPMYJRKSUARTGX-GFCCVEGCSA-N 373.258 2.602 0 50 FFAA NCCc1ocnc1CNC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1 2325857522 FBKOJRWZEXWAPO-UHFFFAOYSA-N 353.209 2.894 0 50 FFAA O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)c1cccc2nn[nH]c12 2325877969 AINMRJYJKSPEDD-UHFFFAOYSA-N 361.192 2.842 0 50 FFAA CO[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)C1(C)C 893525159 RUYXDRWPJFUMOP-YYQBIWNASA-N 374.485 2.824 0 50 FFAA CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 625720 ONBAWOWFNKKUFE-UHFFFAOYSA-N 355.423 2.792 0 50 FFAA CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(=O)c2ccc(C)nc21 931447 BSAJJYNFAVGJOO-UHFFFAOYSA-N 365.389 2.764 0 50 FFAA Cc1cnccc1-n1nc(-c2cccnc2O)nc1[C@H]1CC[C@H](N)CC1 2356133956 PCRCBFDHSRKZDX-HDJSIYSDSA-N 350.426 2.723 0 50 FFAA O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 2879892 YRIJNBMCZCJELM-INIZCTEOSA-N 354.362 2.755 0 50 FFAA O=C(CCCc1nc2ccccc2s1)NCc1cccc2ncnn12 2356158321 XZIRSRLDCQBFLS-UHFFFAOYSA-N 351.435 2.978 0 50 FFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(I)cc1 2998297 JLZAAAASDTTYDI-SNVBAGLBSA-N 365.236 2.854 0 50 FFAA COc1ccc(CN2CCC[C@]23CCCN(Cc2ccccn2)C3=O)cn1 2356168335 ZGAIVBSUZYCYCN-NRFANRHFSA-N 366.465 2.642 0 50 FFAA O=C1C(Cl)=C(NCCc2ccccc2)C(=O)N1CCc1ccccc1 3947166 UPRZLVZTSWIZEO-UHFFFAOYSA-N 354.837 2.881 0 50 FFAA CCCN1CCC(N(C)C(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 115342440 NHOHEPQVCYYLQK-UHFFFAOYSA-N 361.515 2.798 0 50 FFAA COc1cccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 20274260 PSUDMOPUDFVMNK-UHFFFAOYSA-N 357.429 2.591 0 50 FFAA CCCc1nc(CN(CC)C(=O)C2CCN(Cc3ccco3)CC2)no1 55369182 OYSIEFCNPXYLBK-UHFFFAOYSA-N 360.458 2.876 0 50 FFAA O=C(NC[C@H]1C[C@H]2C=C[C@H]1C21CC1)c1cn(Cc2ccccc2F)nn1 102562982 XYRZNPDITGCZSW-BZUAXINKSA-N 352.413 2.798 0 50 FFAA COc1ccc(OC)c(CN(C(=O)c2ccc(O)nn2)C2CCCC2)c1 55109149 DDALZTXSPQYUIQ-UHFFFAOYSA-N 357.410 2.784 0 50 FFAA COc1ccc(-c2cnc(CCC(=O)N3CCC[C@H](C(=O)O)C3)o2)cc1 136160654 FHEQCQCDRXTIHW-AWEZNQCLSA-N 358.394 2.606 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1OC1CCN(C(C)=O)CC1 20598830 NZKIJGYFNGEBPV-OAHLLOKOSA-N 374.481 2.957 0 50 FFAA COc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)nc1-c1ccnn1C 20919879 HZTNDVCADYYVQT-INIZCTEOSA-N 364.453 2.572 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCN(C/C=C/c2ccccc2)CC1 20653818 DMRPIVZVHGFKQT-VHTFYLNKSA-N 364.445 2.684 0 50 FFAA Cc1nc(CN2CCN(c3nncc(-c4cccc(F)c4)n3)CC2)cs1 63835153 DTJYWEIMPSPLJP-UHFFFAOYSA-N 370.457 2.765 0 50 FFAA CNC(=O)c1cc2cc(NC(=O)Cc3cccc(COC)c3)ccc2[nH]1 473580248 ZTTXQEMMVPCVSQ-UHFFFAOYSA-N 351.406 2.855 0 50 FFAA Cn1cnnc1CCC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65505677 RCBKFYORNASFOL-FQEVSTJZSA-N 352.438 2.605 0 50 FFAA Cc1ccccc1Cc1nnc(NC(=O)NCc2n[nH]c3c2CCC3)s1 67920526 FQVGODIJGGYNAU-UHFFFAOYSA-N 368.466 2.971 0 50 FFAA Cc1ccc(-c2nc(NC[C@H]3COCCO3)ncc2-c2cncnc2)cc1 65396624 SJHNWPHNTVMFCN-KRWDZBQOSA-N 363.421 2.736 0 50 FFAA COc1ccc([C@H](C(=O)O)N(C)Cc2noc(C3CCC3)n2)cc1OC 1506403986 DJDPDOBBBQNFBA-MRXNPFEDSA-N 361.398 2.612 0 50 FFAA CCOCc1ccccc1CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1 122090195 MLRXHHSIVHLFPM-GOSISDBHSA-N 358.442 2.920 0 50 FFAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cn(C)nc3C)nc21 12397159 SPVADCKYAPPTOC-UHFFFAOYSA-N 363.368 2.949 0 50 FFAA Cn1cncc1[C@H]1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1 328622621 IOHHRVGYBZADJL-DGCLKSJQSA-N 360.487 3.154 0 50 FFAA C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(NC=O)cc1 363349509 PJULNBIYCQEKAW-QGZVFWFLSA-N 351.450 2.992 0 50 FFAA C[C@@H]1[C@@H](O)CCCN1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 332696864 RUCFAIHQSRVVLG-HSMVNMDESA-N 355.841 2.613 0 50 FFAA COc1ccccc1-c1cn2c(C(=O)NCc3nnc(C)o3)csc2n1 11663883 LZZFSHJJFXAEIV-UHFFFAOYSA-N 369.406 2.693 0 50 FFAA COc1ccccc1CNC(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1 71775606 CXMLNTWALHFBGL-GASCZTMLSA-N 355.438 2.634 0 50 FFAA NC(=O)c1cccc(NC(=O)N2CCCN(c3ccccc3F)CC2)c1 367596574 QDGHAYMDJCSHLZ-UHFFFAOYSA-N 356.401 2.669 0 50 FFAA O=C(N[C@H]1CCCc2occc21)c1ccc(=O)n(-c2ccc(F)cc2)n1 127725336 IBDKYFLDPABZCN-HNNXBMFYSA-N 353.353 2.772 0 50 FFAA O=C1CSc2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cc2N1 261657959 KJPKIKPTJFKACH-SWHYSGLUSA-N 360.435 2.589 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 238018657 XEMVCXOZFZHOPJ-UONOGXRCSA-N 361.344 2.848 0 50 FFAA CCc1nc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1 72126430 GVTAPQYXUZGKFM-NSHDSACASA-N 359.455 2.502 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)c3ccc4ccccc4c3)nn2)n1 77134221 FAMVRCPPXFNRMU-UHFFFAOYSA-N 372.432 2.966 0 50 FFAA COC[C@H](C)N(Cc1ccc(SC)cc1)C(=O)c1ccn2nnnc2c1 215607091 SZKXRIWFZXZPBS-ZDUSSCGKSA-N 371.466 2.524 0 50 FFAA CSc1nc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cs1 219500055 COXQLQSRNMUQTC-UHFFFAOYSA-N 359.480 2.928 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(c3ncnc4c3CCC4)CC2)n1 72431568 SHBZNUGYRGXIIL-UHFFFAOYSA-N 369.469 2.540 0 50 FFAA C[C@H](O)CN1CCC(CN(C)C(=O)c2cnc(-c3ccco3)s2)CC1 176452270 FDOIQARUMGNFOK-ZDUSSCGKSA-N 363.483 2.568 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCc1cccc(F)c1 44919904 OGOLPLDLAZYVEE-UHFFFAOYSA-N 355.344 2.505 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1ncc(F)cc1F 223224177 DNUVKGMVZRMLDA-MKTAYPAQSA-N 360.360 2.537 0 50 FFAA Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3sc(C)cc3C)C2)n1 292412488 JRIKHPCXOZQTIB-OAHLLOKOSA-N 368.528 2.674 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N1CCC[C@H]1Cn1cccn1 426503084 FQHIDAWWSCMMHX-KRWDZBQOSA-N 365.441 2.723 0 50 FFAA CC1(C)C[C@@H](CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CCO1 82099485 PEMYZXBNIYDAJZ-INIZCTEOSA-N 374.529 2.710 0 50 FFAA CC[C@H](OC)C(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91915223 AQMKPKIMLOXQEQ-VQFGERMISA-N 370.493 2.966 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CC(OCc3ccccc3F)C1)CO2 92107272 ONFXWOPNPPBDMU-MRXNPFEDSA-N 371.408 2.813 0 50 FFAA CCSc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)N(CC)CC)N(C)C2)s1 96161753 DNZQUFOBRIABNJ-OLZOCXBDSA-N 369.556 2.531 0 50 FFAA Cc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)n1 91655891 SAWIGRIYSOXOQJ-UHFFFAOYSA-N 367.497 2.759 0 50 FFAA O=C1CCC2(CCNCC2)CN1CCN1CCC[C@@H](c2ccccc2)C1 91254780 QZTWZEDKXSTVAK-HXUWFJFHSA-N 355.526 2.858 0 50 FFAA CC(C)[C@@H](NC(=O)[C@H](O)c1ccccc1Cl)c1nnc2ccccn12 162789429 DDPHQPWQPVVAKM-HZPDHXFCSA-N 358.829 2.930 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H](C)n1ccnc1C(C)C 95518633 FITBCZLMFSWHRQ-LBPRGKRZSA-N 357.380 2.908 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)c1cc(-c2ccccc2O)n[nH]1 95381148 HXDBVTPEDLUQKF-UHFFFAOYSA-N 359.389 2.898 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)O)on1 95504388 HCHGYXGJRJNDRZ-CYBMUJFWSA-N 370.327 2.716 0 50 FFAA Cc1ccc2ncccc2c1CN1CCC2(CCC(=O)N(CCO)C2)CC1 91819732 JPSOOMUUBLBJIW-UHFFFAOYSA-N 367.493 2.740 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2ccc(F)cc2F)CC1 95499351 KDMLEEBYDYMZGI-KRWDZBQOSA-N 354.397 2.717 0 50 FFAA C[C@@H](C1CC1)n1nccc1NC(=O)NCCCn1nnc2ccccc21 95500102 JAAZXRZDWRNKLT-ZDUSSCGKSA-N 353.430 2.811 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)N2Cc3ccccc3C2)c1C 96163678 QZOVEHGLOUBPIT-UHFFFAOYSA-N 353.422 2.919 0 50 FFAA CC(C)Cc1nc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)no1 91997388 MITWWUYWYNISQP-ZWKOTPCHSA-N 368.481 2.891 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CC(Oc3ccccc3F)C1)C2 92037163 YDYQKQOARRTSIB-AWEZNQCLSA-N 357.381 2.675 0 50 FFAA CC[C@H](C(=O)NCc1ccc2nsnc2c1)N1Cc2ccccc2C1=O 97076709 ZRWMTDKLIGBXOI-QGZVFWFLSA-N 366.446 2.742 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239175827 QRJMXOZJNLNEDV-DEGRCIOYSA-N 364.445 2.685 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)CCc2nc3c(C)cccc3[nH]2)c1C 244873119 WKKWPPLHDRQFOY-UHFFFAOYSA-N 368.485 2.818 0 50 FFAA O=C(O)c1cccc(OCCNC(=O)C2(N3CCCC3)CCCCC2)c1 244774036 PMWSKKPJMNUGNL-UHFFFAOYSA-N 360.454 2.679 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 245242162 FHTSGNCDNDFBKL-NKPHKUNOSA-N 364.445 2.684 0 50 FFAA COc1cccc(CCC(=O)N[C@@H](c2cncc(OC)c2)[C@H]2C[C@@H](O)C2)c1 244774207 PPPNFKDPQRGSBW-LDBYXDLTSA-N 370.449 2.660 0 50 FFAA Cc1ccc2[nH]c(CCC(=O)N(C)CCN3CCCCC3=O)nc2c1C 244884438 YMPBNYURBOFQTM-UHFFFAOYSA-N 356.470 2.583 0 50 FFAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCN(C(=O)C2CCC2)CC1 244774145 PONKECPIQAPKRM-UHFFFAOYSA-N 361.486 2.510 0 50 FFAA O=C(NCC(=O)N1CCC2(CC1)OCCc1ccsc12)c1ccccc1 77979284 OILOQHAVTWXYJH-UHFFFAOYSA-N 370.474 2.569 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 824596725 QMWDBPWBRUPMRP-AWEZNQCLSA-N 367.409 2.694 0 50 FFAA CC(C)N(C[C@H]1CCC(=O)N1)S(=O)(=O)c1cc2ccccc2s1 907247896 UGZLXODDZPIOQB-CYBMUJFWSA-N 352.481 2.579 0 50 FFAA C=CC(=O)NC1(CC)CCN(C(=O)[C@]2(c3ccccc3)CCCO2)CC1 1875385935 FURPGHCAKKXTAY-OAQYLSRUSA-N 356.466 2.766 0 50 FFAA CC(C)(N)CC(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 1875359167 WQLFRMSQNQLNIU-QGZVFWFLSA-N 352.438 2.796 0 50 FFAA Cn1nc(CO)cc1NC(=O)c1cc2c(-c3ccccc3)nn(C)c2s1 1875325772 CLDZQEQPCPXPCO-UHFFFAOYSA-N 367.434 2.780 0 50 FFAA Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2CN=c2[nH]c3ccccc3o2)co1 1875326396 ABAMVSNRDYSGEC-ZIAGYGMSSA-N 354.410 2.947 0 50 FFAA O=C(Cc1ccccc1OC1CCCC1)N[C@@H]1C[C@@H](O)C12CCOCC2 886995755 OQXBGTGYKPKAFE-RTBURBONSA-N 359.466 2.597 0 50 FFAA O=C(NCc1nnc2ccc(C(F)(F)F)cn12)N1CCCC2(CC2)C1 274551372 HCLFYXYYPZOKIK-UHFFFAOYSA-N 353.348 2.834 0 50 FFAA COc1ccc(-c2noc([C@@H](c3ccccc3F)N3CCOCC3)n2)cn1 170606766 XHDNRFLQUBQWPS-QGZVFWFLSA-N 370.384 2.701 0 50 FFAA COc1cc(-c2onc(N3CCC[C@](C)(O)C3)c2C(=O)O)ccc1F 1704316538 UARJFQCWVBFNTH-KRWDZBQOSA-N 350.346 2.539 0 50 FFAA COc1cc(C)ccc1S(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704302144 FHOTYNZMVUUEPF-MSOLQXFVSA-N 353.484 2.973 0 50 FFAA c1ccc([C@@H]2COC[C@@H]3CN(Cc4ccc5c(c4)CCO5)CCN32)cc1 1616070146 SEOHBLIWVYUNKZ-SFTDATJTSA-N 350.462 2.879 0 50 FFAA COc1cc(C(=O)N2CCCN(Cc3c(C)n[nH]c3C)CC2)ccc1F 1775979187 YLMVAFZDSGMXFR-UHFFFAOYSA-N 360.433 2.522 0 50 FFAA O=C(Nc1ccccc1)N1CCCN(C(=O)c2cc(C3CC3)no2)CC1 1772816486 RZVLUIBWTZCPIH-UHFFFAOYSA-N 354.410 2.932 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2(C)CC2)cc1 12446145 KWSREMYSLFKOEH-KRWDZBQOSA-N 352.438 2.910 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1nccn1C 12446548 CMMNJSMXGDAGAB-UHFFFAOYSA-N 368.485 2.572 0 50 FFAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@@H](N(C)Cc1ccco1)C2 14744080 KJHWPMVOLLSJFY-OAHLLOKOSA-N 358.486 2.823 0 50 FFAA CCC(=O)Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 19790752 DMDUCEOWEXKMHS-UHFFFAOYSA-N 351.450 2.993 0 50 FFAA COC(=O)C[C@H](c1ccc(SC)cc1)c1c(O)n2ccccc2nc1=O 205970334 FMRCEKRNMWPNJV-CQSZACIVSA-N 370.430 2.817 0 50 FFAA Cc1nnn(C23C[C@H]4C[C@@H](C2)CC(n2ccnc2-c2[nH]cnc2C)(C4)C3)n1 1857676491 OKKFXXIAPNYXDS-MYMYQCDVSA-N 364.457 2.581 0 50 FFAA NC(=O)c1cc(N2CCC(OCc3cccnc3)CC2)nc2ccccc12 1857678651 JENFGQOCYHGTBH-UHFFFAOYSA-N 362.433 2.914 0 50 FFAA C[C@@H](CCn1ccnc1-c1cc2ccccc2n(C)c1=O)N1CCOCC1 1857703286 PKXVHYSKTAHOMB-INIZCTEOSA-N 366.465 2.513 0 50 FFAA COC(=O)c1cc2n(n1)CCN(C(=O)c1c(C)sc3ccccc13)C2 1857716158 ZBRDGSHMKYSDDN-UHFFFAOYSA-N 355.419 2.849 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)cc(C)n1 1857717922 FTNPFHKXAOITDP-QEUVDIPISA-N 367.449 2.705 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)CC1 1857722823 OZWAQOSRNKNKMF-UYWIDEMCSA-N 360.473 2.575 0 50 FFAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(C)c1 1857723518 JPKWZAZSGMLCIN-LVCYWYKZSA-N 366.461 2.948 0 50 FFAA CC(C)(C)OC(=O)N[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O 2517128 UZDKQMIDSLETST-ZCFIWIBFSA-N 355.259 2.903 0 50 FFAA in-vitro CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1 331063901 WIEFSEIFSMATBR-GDBMZVCRSA-N 353.484 2.610 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 237508522 FSLHKMSHTJQJMU-YKHWKNEFSA-N 365.227 2.698 0 50 FFAA CC(=O)N1CC[C@@]2(O)CCN(Cc3ccc(C(F)(F)F)c(F)c3)C[C@H]2C1 247932408 KBNYZPHMJVFFCY-YOEHRIQHSA-N 374.378 2.650 0 50 FFAA O=C(NCC1CCS(=O)(=O)CC1)N1CCC[C@@H]1CCc1ccccc1 153374587 UBAIBGLWTCSTQF-GOSISDBHSA-N 364.511 2.618 0 50 FFAA Cc1nc([C@H]2CN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CCO2)no1 374814958 BIJZOWBLHQFARR-MRXNPFEDSA-N 356.357 2.726 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCC(Oc2ccccc2Cl)CC1 901199962 RQMPQJCYTPSAQF-UHFFFAOYSA-N 350.846 2.744 0 50 FFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c[nH]1 404348711 IEOOCAGJTRMMAJ-BBWFWOEESA-N 353.466 2.807 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)Cc1c(C)[nH]c3c(C)ccc(C)c13)C2 2100555531 VMEXGWWCXJUATD-KKSFZXQISA-N 356.466 2.757 0 50 FFAA FC(F)C[C@@H]1CN(Cc2cn3cccc(Br)c3n2)CCN1 2325792393 YGEJFWBAWFSFHL-SNVBAGLBSA-N 359.218 2.526 0 50 FFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)c1ccc(-c3cccnc3)cn1)C2 2325805915 DEMMKPIEMNUPNX-COXVUDFISA-N 351.406 2.717 0 50 FFAA O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1Cl 726255 IJTLWZPUGZBFLA-UHFFFAOYSA-N 361.612 2.649 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@H]3C(=O)OC[C@H]3C2)sc2ccc(Cl)cc12 2356151839 CIRZKQAYBKLPBL-BXKDBHETSA-N 371.867 2.657 0 50 FFAA COc1cc(/C=C2/[C@H](O)C3CCN2CC3)cc(Br)c1OC 4842735 VTRKQHYBVPUJOD-JEMSNHSXSA-N 354.244 2.894 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)N2CCC3(CCNC3)CC2)CCN1Cc1ccccc1 417825825 BLESRUYNAMMWKZ-QUCCMNQESA-N 370.541 2.825 0 50 FFAA CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1 9873432 ICRBBJNRCFSFEO-WBVHZDCISA-N 352.500 2.701 0 50 FFAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2coc3ccccc23)CC1 115389848 TUBJVDINCATLIB-UHFFFAOYSA-N 352.438 2.741 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CC[C@@H](Cc2ccc(CO)cc2)C1 102121330 LVUFIOJWXSGWBJ-KRWDZBQOSA-N 371.506 2.610 0 50 FFAA COc1cc(CN2CCN(C)[C@H](CCO)C2)ccc1OCc1ccccc1 104534288 NBAYFJMXNMKUPT-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA Cc1cccc(-n2cc(CN3CCNC(=O)C3)c(-c3cccc(F)c3)n2)c1 55154164 PLUGWLOHQWMOHK-UHFFFAOYSA-N 364.424 2.919 0 50 FFAA CCCCNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 59759858 AQDSZBKNYAVIGJ-UHFFFAOYSA-N 374.485 2.549 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2cnc(-c3ccco3)nc2)CC1 65462102 LMEZVFPTQXQCJK-UHFFFAOYSA-N 364.453 2.720 0 50 FFAA CC1CCN(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3nccs3)C2)CC1 118832892 ZCLBWUPARFMOSQ-HOTGVXAUSA-N 350.532 2.914 0 50 FFAA COc1ccccc1OCc1cc(C(=O)NCCc2ccccc2)n[nH]1 67968076 ONOMVMVXOYJKFZ-UHFFFAOYSA-N 351.406 2.970 0 50 FFAA OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1F 20472849 YJFLTZIZAOARRG-GOSISDBHSA-N 372.440 2.623 0 50 FFAA OC[C@@]1(CCc2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1 67713810 CBXMBOJPPSHFEE-OAQYLSRUSA-N 363.465 2.874 0 50 FFAA CCCN1C[C@H](Nc2cc(-c3ccccc3F)nc3ccnn23)CC1=O 72122403 QZPVERWGQSJUMY-CYBMUJFWSA-N 353.401 2.958 0 50 FFAA CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)cc1F 173750567 QCIALSUBDXACTC-CQSZACIVSA-N 358.417 2.821 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 77426343 JBWHIZPOQSPRSN-UHFFFAOYSA-N 356.491 2.771 0 50 FFAA Cc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1 72434389 KITRLAGTMZBHSM-UHFFFAOYSA-N 354.498 2.820 0 50 FFAA COc1ccccc1OS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 378586499 ZFJQOMXUDOHJIU-HNNXBMFYSA-N 367.467 2.585 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C2Cc3ccccc3C2)C1 72425491 CZYVYVWLCGWEQZ-IBGZPJMESA-N 365.525 2.758 0 50 FFAA O=C(CN1CC[C@@H](O)c2ccccc2C1)Nc1ccnn1C1CCCC1 374805446 IURJPDBEAWDMRF-GOSISDBHSA-N 354.454 2.876 0 50 FFAA Cn1cc(NC(=O)CN2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cn1 72171424 SJRUVRIGCGHDFD-MRXNPFEDSA-N 356.405 2.601 0 50 FFAA CN1CCN(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 71376236 HLFGLIOIPBLZBI-UHFFFAOYSA-N 370.324 2.979 0 50 FFAA Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)cc1C(=O)N1CCCCC1 333346834 QSYZKXCVHKSLBR-SNRMKQJTSA-N 370.497 2.822 0 50 FFAA NC(=O)c1c(NC(=O)CC2(CC(=O)O)CCCC2)sc2c1CCC2 17072722 CUFRXFKWDPVDPT-UHFFFAOYSA-N 350.440 2.699 0 50 FFAA CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(F)cc1N1CCOCC1 459772448 INUAKHMYKLVNMD-INIZCTEOSA-N 365.449 2.941 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(N3CCCCC3)cc1)C2 220641709 DPUDHWUKGCKNHS-MRXNPFEDSA-N 368.481 2.973 0 50 FFAA CN(CC(=O)NCc1cc(-c2ccccc2F)no1)Cc1ccncc1 223610335 PLMPJZZMGZHTRX-UHFFFAOYSA-N 354.385 2.624 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cc1=O 82138912 SUQFVQZJLPNGLX-HNNXBMFYSA-N 358.413 2.939 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccnc2)cs1 97370510 FHYSDUDHVXVWCZ-IBGZPJMESA-N 366.446 2.786 0 50 FFAA Cc1cc(N2CCc3nnc(C(C)C)n3CC2)nc(-c2ccccc2O)n1 91950533 YDKCBQREJMEARA-UHFFFAOYSA-N 364.453 2.935 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)C3(Cn4cccn4)CC3)C2)cc1 95358541 NTUBCENFAWKPSH-KRWDZBQOSA-N 353.422 2.768 0 50 FFAA COc1c[nH]c(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cc1=O 91390762 ZIDMHZXZNUMIMN-OAQYLSRUSA-N 373.497 2.531 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95526941 DBVXYWWTIJQKQC-INIZCTEOSA-N 367.449 2.602 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)N1CCN(C2CCCC2)C(=O)C1 91934809 OSOAYEGZVHWSBV-UHFFFAOYSA-N 371.264 2.986 0 50 FFAA CCc1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)o1 91858037 MNCZAQYQEQSWEH-QGZVFWFLSA-N 368.481 2.860 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCn1nc(C)nc1C 95379036 CZUSSOMSXQKINT-MRXNPFEDSA-N 354.458 2.575 0 50 FFAA c1cn(C23CC4CC(CC(C4)C2)C3)c(-c2cn(C3CCNCC3)nn2)n1 92097392 WKMYOAZAPFQGSF-UHFFFAOYSA-N 352.486 2.991 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 92028918 BYEDQWHKFPEYOI-SFHVURJKSA-N 371.485 2.777 0 50 FFAA COCC[C@]1(O)CCN(C(=O)CN2CCC(c3ccccc3)CC2)C[C@H]1C 91535226 MAFWVJUQEXJQES-XMSQKQJNSA-N 374.525 2.502 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@H](c3ccc(F)cc3)C2)[C@H]1c1cccnc1 268095515 VLBJEQRRIWHRRF-XKGZKEIXSA-N 367.424 2.756 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1ccc(N2CCCC2=O)cc1 96160693 KMYWZSHGCPJBKY-UHFFFAOYSA-N 370.478 2.800 0 50 FFAA CCOc1ccc(C(C)(C)NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 95387839 ADJOVJHMFVIGBF-OAHLLOKOSA-N 361.486 2.830 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCC4(CC3)CN(C)C(=O)O4)oc2c1 91382052 RRDUWLIOOXNCHZ-UHFFFAOYSA-N 358.394 2.807 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCc3n[nH]cc3C1)O2 244659594 HFLQGYMYXYQDQX-HXUWFJFHSA-N 355.438 2.709 0 50 FFAA CN(CCC(=O)N1CCC(C(=O)O)CC1)Cc1ccc(C(F)(F)F)cc1 244690928 IZMPHSLENZECHK-UHFFFAOYSA-N 372.387 2.851 0 50 FFAA CN(C)[C@@H](CNC(=O)N1CCC(OCc2ccccn2)CC1)c1ccco1 534639397 MXHJMRAVGWJBRX-SFHVURJKSA-N 372.469 2.668 0 50 FFAA COCCN1CCC(CN(C)C(=O)Nc2ccnn2C2CCCC2)CC1 299776392 AXJAPFQOUWFYOV-UHFFFAOYSA-N 363.506 2.820 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N[C@@H](c1ncccc1C)C1CC1 299777494 NSZUZCBOYJRRNT-QGZVFWFLSA-N 374.466 2.619 0 50 FFAA O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccncc2F)cc1 828057207 PLPHLKODNCFLPT-UHFFFAOYSA-N 356.401 2.897 0 50 FFAA CC(C)c1ccccc1OC[C@H](O)CNC(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1875307862 NUXQLXZKXYKZED-UOJCXKCYSA-N 353.409 2.957 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2cc[nH]c3nccc2-3)Oc2ccccc21 1875332214 MNTKEPBGRKVBDZ-CQSZACIVSA-N 350.422 2.874 0 50 FFAA O=C(c1cc[nH]c1)N1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1 1875395618 GXBBVIOTKRYSRG-UHFFFAOYSA-N 373.478 2.819 0 50 FFAA CC[C@H](C)NC1(C(=O)NCCN(C)C2CCCC2)Cc2ccccc2C1 1875349451 XMYHBGPWORTJCG-KRWDZBQOSA-N 357.542 2.903 0 50 FFAA Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c(C)n1Cc1ccccc1 896580357 HJXQMWRQGFIOQO-UTKZUKDTSA-N 368.525 2.517 0 50 FFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C(=O)c3ccc(C)s3)C[C@@H]21 1565517090 OCOZZDYCBNVAQZ-LIRRHRJNSA-N 373.430 2.768 0 50 FFAA CCn1nc(NC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)cc1C1CC1 278090782 IEDVDZHCYWFHKZ-HNNXBMFYSA-N 371.489 2.613 0 50 FFAA Nc1nc(NCCc2ccc(OC(F)(F)F)cc2)cc(-n2cccn2)n1 301971901 GUSWDYVCPNFIFE-UHFFFAOYSA-N 364.331 2.798 0 50 FFAA CCCn1ncnc1CN1CCN(c2ncc(Cl)cc2Cl)CC1 279624886 YTJJFPOIGVIFPX-UHFFFAOYSA-N 355.273 2.712 0 50 FFAA C[C@H](Oc1cccc(F)c1)C(=O)NC1CCC(Oc2cnccn2)CC1 188281852 LLGKEOCWHZFFRN-JEYLPNPQSA-N 359.401 2.889 0 50 FFAA CCCc1ccc(C(=O)N2CCCN(Cc3nc(CC)no3)CC2)cc1 1529168137 WTHNSQAWINMNJU-UHFFFAOYSA-N 356.470 2.933 0 50 FFAA COc1cc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c(C)cc1C 1704302926 DZIGAQVWIQERAS-QZTJIDSGSA-N 353.484 2.628 0 50 FFAA COc1ccc(OC)c2c(C)cc(NC3CCS(=O)(=O)CC3)nc12 1704300542 YOWYGKONZPXFRY-UHFFFAOYSA-N 350.440 2.550 0 50 FFAA CO[C@H]1CN(CCc2nc3ccc(C)cc3[nH]2)C[C@H]1Cc1cc(C)no1 1704337596 AYKKFLGIYJYYCO-BEFAXECRSA-N 354.454 2.900 0 50 FFAA O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 5268565 CXXNWHOQWURSAD-UHFFFAOYSA-N 350.465 2.788 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)C(=O)c1ccccc1 11818393 UVVGANUQNBNFQP-IBGZPJMESA-N 372.424 2.940 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccccn1 11874043 LNCMIKCMWREOOG-SFHVURJKSA-N 361.405 2.511 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)cc1 12003692 JEUPHSYQXOLNCR-CYBMUJFWSA-N 358.419 2.560 0 50 FFAA CN(Cc1ccccc1)C1(C(=O)NCc2nccn2C)Cc2ccccc2C1 12317374 FHUFKCZOTCXPIC-UHFFFAOYSA-N 374.488 2.706 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N2CCN3CCC[C@H]3C2)no1 12595192 HILQUIRKKKDOLY-AWEZNQCLSA-N 373.478 2.896 0 50 FFAA COc1ccc([C@H]2C[C@@H](c3cc(OC)ccc3OC)n3nnnc3N2)cc1 13123449 JXTCSMVOHMBOSO-SJORKVTESA-N 367.409 2.845 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 13689205 QPTBXBXRYPEFSV-UHFFFAOYSA-N 363.417 2.775 0 50 FFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2CC(F)(F)F)cc1 14880090 KWGNQGXRMUHSGC-AWEZNQCLSA-N 358.360 2.506 0 50 FFAA COc1ccccc1CNC(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 14966779 MRRDJJFYNLAPOF-FQEVSTJZSA-N 356.422 2.576 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)[C@@H](C)c4ccccc4)nnc3c2)n1 169776251 MDAICAZNYRHCJW-LBPRGKRZSA-N 362.393 2.508 0 50 FFAA O=C(NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12)c1ccco1 169781136 YMXWDUTUCAKISH-UHFFFAOYSA-N 353.769 2.968 0 50 FFAA O=C(NCc1cccc(-c2nc[nH]n2)c1)[C@@H]1C[C@@]12CCOc1ccccc12 1857528145 PWBBYIIKLCPIKJ-LAUBAEHRSA-N 360.417 2.828 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cc3cc(C)ccc3nc1C)C2 1857681127 YXNUOGKZRVWIKA-HXUWFJFHSA-N 353.422 2.908 0 50 FFAA COc1cc(-c2nc(CNC(=O)Cc3ccccn3)c(C)o2)ccc1O 1857682354 NXXUIFUBTWIPKK-UHFFFAOYSA-N 353.378 2.618 0 50 FFAA CC(C)=CCN1C[C@@H](C(=O)O)C2(CCN(C(=O)c3cccc(C)n3)CC2)C1 1857691286 DBRGUCHNRVIUFB-KRWDZBQOSA-N 371.481 2.595 0 50 FFAA OC[C@H]1[C@H]2CN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@]23CC[C@H]1O3 1857726248 YYLAMWFDIRHELV-BUIAKZPTSA-N 360.454 2.921 0 50 FFAA CCOc1ccc2nc(N3C[C@H](C(=O)NC4CCC4)CC3=O)sc2c1 1857729868 VCJHRFPBFCNUBT-LLVKDONJSA-N 359.451 2.717 0 50 FFAA Cc1cc(C(=O)N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2ccc(F)cc2n1 1875246039 XYRWIAHIMVNANM-OXQOHEQNSA-N 369.440 2.618 0 50 FFAA Cc1ccc(CS(=O)(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c(F)c1 331999398 XWUXEMVPDPYMMA-WMZOPIPTSA-N 367.417 2.911 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)n1 264262814 JDVBQRXESHCGDB-SNVBAGLBSA-N 371.397 2.509 0 50 FFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)[C@H]2CSCCS2)c1 909640790 QVPUBWGTDPERQZ-CQSZACIVSA-N 363.464 2.666 0 50 FFAA CCCCn1nc(CC(C)C)c2c(NCc3nnc4n3CCC4)ncnc21 2100480689 PZWPDBANWVFKPY-UHFFFAOYSA-N 368.489 2.975 0 50 FFAA CCn1cc(C(=O)NCc2nc(C3CC3)nn2C)c(-c2ccccc2)n1 2325766869 YEQKCYOPMNVKRD-UHFFFAOYSA-N 350.426 2.506 0 50 FFAA O=C(O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 2325809011 REJCDHONRCVBQT-UWAKZDDMSA-N 361.482 2.955 0 50 FFAA CC[C@H](C)CC(=O)N1C[C@H](CN=c2nc(O)c3ccccc3[nH]2)C[C@H]1C 2325866896 DDECCIDFWCCQRM-ZNMIVQPWSA-N 356.470 2.842 0 50 FFAA Cc1c(Br)cccc1CC(=O)Nc1n[nH]c2c1COCC2 899251752 UJWVVFDIAZGXSF-UHFFFAOYSA-N 350.216 2.735 0 50 FFAA COc1cc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)ccc1C(=O)O 909731293 OCJVZSGVGXZUHQ-LBPRGKRZSA-N 358.369 2.998 0 50 FFAA Cc1ccc(C)c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1 655101 XUHIRMCYDDBTOD-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CC(C)(C)C(=O)N[C@H](n1c(=O)cc[nH]c1=S)C(Cl)(Cl)Cl 1469974 BGXXDKOGURBBSP-SSDOTTSWSA-N 358.678 2.937 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)NCC2 2099770 UGOVBXCSQHMXPG-IBGZPJMESA-N 359.422 2.965 0 50 FFAA biogenic Cc1noc(C)c1CN1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356133777 CQMKINKABCEMHU-FQEVSTJZSA-N 354.454 2.844 0 50 FFAA O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(Cl)cc1Cl 2251586 CUACCXSIRZKJER-UHFFFAOYSA-N 356.161 2.742 0 50 FFAA Cc1nc2cc(CNC(=O)c3ccc(-c4cncc(N)n4)cc3)ccc2n1C 2356137016 OLLQUISCMPLQQW-UHFFFAOYSA-N 372.432 2.851 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cccc(-n3cccn3)c2)C1=O 2356148455 YBGXMBZQNMJXPP-OAQYLSRUSA-N 366.465 2.878 0 50 FFAA Cc1cccn2ncc(CN3CCc4nc(Cc5ccccc5)nn4CC3)c12 2356149403 YITYQKNVWHOERR-UHFFFAOYSA-N 372.476 2.883 0 50 FFAA Cc1cc(C)c(NC(=O)CSc2nnnn2-c2cccnc2)c(C)c1 4414151 HDZLFJKWWCDULE-UHFFFAOYSA-N 354.439 2.713 0 50 FFAA COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 4520231 MJQGIBBKVVYRBX-UHFFFAOYSA-N 358.394 2.788 0 50 FFAA O=C(Nc1ncc(C(F)(F)F)s1)C(=O)N(Cc1ccncc1)C1CC1 225854805 PPDNLHJXJITDAY-UHFFFAOYSA-N 370.356 2.687 0 50 FFAA COCCNc1nc2ccccc2n1CC(=O)c1ccc(OC)c(OC)c1 100891073 DIALPZKUYOUMBF-UHFFFAOYSA-N 369.421 2.995 0 50 FFAA c1ccc2oc(N3CCN(Cc4ccc(-n5cncn5)cc4)CC3)nc2c1 65453431 XOTILXSESCLJGQ-UHFFFAOYSA-N 360.421 2.731 0 50 FFAA C[C@H](COc1ccccc1)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65526487 SPUFBNLFPBXRTC-QGZVFWFLSA-N 374.506 2.897 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)CCC1=O 72419713 RCJRNSIMTJPKHL-OAQYLSRUSA-N 366.465 2.941 0 50 FFAA O=C1CC[C@H](CNC2CCN(c3cccc(-c4cscn4)c3)CC2)N1 20600692 OIICTNHJQJVWDB-MRXNPFEDSA-N 356.495 2.647 0 50 FFAA Cc1nn(C[C@@](C)(O)c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12 125475190 JALOXDQFIQZXBX-MRXNPFEDSA-N 367.327 2.928 0 50 FFAA CCCCS(=O)(=O)N1CCCn2nc(-c3nc4ccccc4[nH]3)cc2C1 67948072 MSVFSVVBWZZGPN-UHFFFAOYSA-N 373.482 2.762 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(NS(=O)(=O)NCc2ccccc2)cc1 71750623 BTQTVEJWEFQJSV-CQSZACIVSA-N 359.451 2.648 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(c1cc(C)nc(-c3cccnc3)n1)CC2 151977749 HRDZYIKOOLTOTK-DLBZAZTESA-N 354.454 2.603 0 50 FFAA CCOc1cc(CN(C)C(=O)c2cccc(-n3cnnc3)c2)ccc1OC 215745297 ABQKDMQXMYMAAS-UHFFFAOYSA-N 366.421 2.947 0 50 FFAA CCOc1ccccc1OC[C@@H](O)CCN1C(=O)c2ccccc2C1=O 39400111 UVOYJPOLFWKLSZ-AWEZNQCLSA-N 355.390 2.511 0 50 FFAA C[C@H](C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1)c1cccnc1 365721122 YPWDBSXJROTCSR-HNNXBMFYSA-N 352.438 2.998 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O 282957841 YFVITJNKPMMCBB-FXAWDEMLSA-N 355.482 2.838 0 50 FFAA CCn1cc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c2ccccc21 363219811 WCMHXVFMHRQIQK-QGZVFWFLSA-N 354.498 2.513 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)c2cccs2)CC1 328624820 CPRFYNHKDKAVJU-CQSZACIVSA-N 356.513 2.557 0 50 FFAA COc1coc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1=O 71682141 ZHXWAVPXRJFJJU-UHFFFAOYSA-N 352.390 2.939 0 50 FFAA C[C@H](C1CCN(C(=O)Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 72469285 FBCBVPIEGPMRRR-CQSZACIVSA-N 368.880 2.981 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 372832127 SDQCBIFNAKAMDO-CABCVRRESA-N 362.499 2.632 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCCCc3csc(N)n3)cc2)n1 77300113 RYXLLLUQORTMDQ-UHFFFAOYSA-N 355.467 2.890 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)cc(C)n1 77392454 JOJUWIPAYNOINR-INIZCTEOSA-N 351.450 2.984 0 50 FFAA O=C(C[C@H]1COCCN1Cc1ccc2c(c1)OCCO2)Nc1ccccc1 72432485 FHKXWGJGLXXYSL-SFHVURJKSA-N 368.433 2.687 0 50 FFAA C1CCC(c2nc3c(c(NCCc4noc([C@@H]5CCCO5)n4)n2)CNC3)C1 72133089 PHLWUMHEUZHITD-HNNXBMFYSA-N 370.457 2.627 0 50 FFAA COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 128423520 LSNAZCUFRQTJPY-HNNXBMFYSA-N 368.437 2.651 0 50 FFAA CN(C(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 241231298 KTTDHMSIPPIBGN-MGPQQGTHSA-N 359.451 2.911 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1C 77378111 BTSWWRUMKNFNIX-HNNXBMFYSA-N 358.442 2.557 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)n1 72128270 AHPXNSOWRMJMFT-GFCCVEGCSA-N 364.396 2.552 0 50 FFAA COc1cccc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)c1OC 72146326 KDOSWABYZYGHRQ-UHFFFAOYSA-N 365.433 2.945 0 50 FFAA COc1cccc(CN2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)c1 72126423 KZIPMHWJAOAHPH-QGZVFWFLSA-N 360.479 2.638 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(F)c(Cl)c3)C2)CN1CCO 77354852 FMUHNTDWMIECRY-SFHVURJKSA-N 354.853 2.676 0 50 FFAA CCc1c(C)cc(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)c(=O)n1C 216503035 GBAZXZJHNBQTSL-HNNXBMFYSA-N 356.466 2.968 0 50 FFAA CC1(CC[C@@]2(S(=O)(=O)c3ccccc3)C=CC(=O)CC2)OCCO1 45071619 KHOYMUHFOKCVPB-GOSISDBHSA-N 350.436 2.661 0 50 FFAA CC(C)CN(C)CCN1CC2(CCN(C(=O)CCC3CC3)CC2)OC1=O 77554742 LQUKXTAQDZUTAH-UHFFFAOYSA-N 365.518 2.578 0 50 FFAA Cc1c(CC(=O)N[C@@H](C)CO)c2c(n1Cc1ccccc1F)CCCC2=O 15074596 XEVPRVNCCMJNFO-ZDUSSCGKSA-N 372.440 2.542 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]2C[C@@H](O)C2)c1 222784379 JPMLBUWBWSHPTQ-QOKNQOGYSA-N 351.406 2.814 0 50 FFAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H](O)c1ccc(F)cc1 223756953 BGQDGAKVXRPPSG-LJQANCHMSA-N 370.424 2.802 0 50 FFAA Cc1nc(COc2cccc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2)cs1 133061794 RWTURHFTXOECDT-CQSZACIVSA-N 360.435 2.967 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(F)cc12 220728666 WQHQKUMSCDGIJT-MSOLQXFVSA-N 374.412 2.537 0 50 FFAA CN1CC[C@@H](NC(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)C1 426489349 JYNPNFNVYQUYLA-HXUWFJFHSA-N 365.477 2.624 0 50 FFAA Cn1nc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1-c1cccs1 222503430 VVGPIAXCWCZCAF-CYBMUJFWSA-N 352.419 2.962 0 50 FFAA Cc1n[nH]c(SCCNC(=O)c2csc(-c3cccs3)n2)n1 82126582 ZFFULBWERUWGOC-UHFFFAOYSA-N 351.482 2.820 0 50 FFAA Cn1nccc1CCN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91997371 LZIDHIKCXYEEEK-HXUWFJFHSA-N 355.438 2.563 0 50 FFAA CC(C)CN(Cc1ccccn1)C(=O)[C@@H](c1cccnc1)N1CCOCC1 95389081 ALPCXJBFANIFDT-HXUWFJFHSA-N 368.481 2.535 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CCc1n[nH]c(C)c1C 91637133 HIPDAPCCLKYLJL-AWEZNQCLSA-N 364.453 2.997 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N[C@@H](CO)Cc3ccccc3C)c2c1 239667959 BSHJVVYGOMDSHJ-QGZVFWFLSA-N 352.434 2.747 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)N3CCOC[C@H](O)C3)cc2)c1 95516564 YTVBUAHELMWOSI-OAHLLOKOSA-N 358.394 2.713 0 50 FFAA Cc1cc(C)n(-c2cccc(C(=O)N(CCN(C)C)C[C@H]3CCCO3)c2)n1 96165279 NDSQQTHHKRDOBM-HXUWFJFHSA-N 370.497 2.672 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCN1CCCCCC1=O 91986526 VKAWDLJHCWWQFQ-UHFFFAOYSA-N 354.454 2.623 0 50 FFAA Cc1ncncc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91943617 OYFLXURKDGAROO-VQTJNVASSA-N 364.493 2.954 0 50 FFAA CCCC(=O)Nc1cccc(NC(=O)N2CCC3(CC2)C[C@@H](O)CO3)c1 95519935 LFXGESSWHFLIDH-MRXNPFEDSA-N 361.442 2.573 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(c1ncncc1C(C)C)CC2 91645398 JSHSANXIMTXMNW-UHFFFAOYSA-N 360.502 2.846 0 50 FFAA O=C(NCCOCc1ccc(Cl)cc1)c1ccc2[nH]c(CO)nc2c1 97772985 NODCANVADHQENZ-UHFFFAOYSA-N 359.813 2.655 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ncc(C(C)C)s1 181360657 HYOUSCFWASFBDM-QGZVFWFLSA-N 358.467 2.603 0 50 FFAA O=C(NCC1CCS(=O)(=O)CC1)[C@@H]1CCCc2c1[nH]c1ccccc21 244764127 PBUZEBHWOMHNHQ-MRXNPFEDSA-N 360.479 2.529 0 50 FFAA Cc1cc2ccccc2n1CC(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O 184036410 QBGKPKHPBCRMBK-IEBWSBKVSA-N 354.450 2.936 0 50 FFAA Cc1ncc(CN2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)s1 67674524 KDZOKJCMZYHMJO-AWEZNQCLSA-N 355.467 2.705 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)Nc1cc(-n2cnnn2)cc(C)c1C 299761361 KHCXRUUGUNBJRQ-HNNXBMFYSA-N 358.446 2.702 0 50 FFAA Cc1cc(C)cc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1 299774975 JVAHUQHXBSCUNJ-UHFFFAOYSA-N 352.482 2.932 0 50 FFAA COc1ccccc1CN(CCCO)c1cc([C@@H]2CCOC2)nc(C)n1 299756592 HPLABCVWSFFIKR-QGZVFWFLSA-N 357.454 2.687 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)s1 826588660 IGILHTYSVXJQRX-CYBMUJFWSA-N 368.455 2.588 0 50 FFAA Cn1nc2cccc(S(=O)(=O)N[C@H](CC(C)(C)C)c3cccnc3)c2n1 825651809 FUVRKVPYVXDUIQ-OAHLLOKOSA-N 373.482 2.819 0 50 FFAA Cc1nc(CC(=O)NCCc2nc(O)c3c(C)c(C)sc3n2)cs1 827855232 DULDNIDRWJOHRB-UHFFFAOYSA-N 362.480 2.680 0 50 FFAA CC(C)C(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)c1ccc2n[nH]cc2c1 1875361307 RJYFEERQLRRYFM-MRXNPFEDSA-N 354.454 2.577 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)C1 1875370984 KMAYDVGIVFFQNV-GXTWGEPZSA-N 362.857 2.877 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)[C@]23CCCC[C@H]2C3)CC12CCC2)c1cocn1 1875407917 KBWWHQFAGNYHDT-NBQZKYEYSA-N 357.454 2.756 0 50 FFAA CCOc1cccc(Cl)c1CN(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952890721 YRAQIBKNNRBMSC-MLGOLLRUSA-N 350.850 2.861 0 50 FFAA CCc1ccccc1S(=O)(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 187367362 LDBDWWXFKKUPGG-SFHVURJKSA-N 367.511 2.988 0 50 FFAA CCS(=O)(=O)N1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1 225464866 WBYACOZKXXJFES-UHFFFAOYSA-N 355.262 2.600 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1C[C@H]2CC[C@H]1O2 225436535 SSPYDZMKUDCCIE-RGCMKSIDSA-N 352.381 2.550 0 50 FFAA CCCN(CCCN(C)C)C(=O)[C@H](c1ccccc1)N1CCCCC1=O 170605740 NGXYLQCAZUIBPC-FQEVSTJZSA-N 359.514 2.931 0 50 FFAA CCOC1CC(CCNC(=O)[C@@H]2CCCN2c2ncnc3sccc23)C1 189426053 ZNNLREFTKHWXKJ-XUJLQICISA-N 374.510 2.982 0 50 FFAA CCc1nc(C2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)n[nH]1 190663469 WGGXTXNSXSXRGC-LBPRGKRZSA-N 353.430 2.753 0 50 FFAA CC1=C(C(=O)N(C)Cc2cc3ccccc3o2)[C@H](C)n2ncnc2N1C 192227215 UOUBMAWOVYIWOR-ZDUSSCGKSA-N 351.410 2.968 0 50 FFAA O=C(Nc1nncs1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 193101093 VWTAIOFIHQZFMG-VXGBXAGGSA-N 356.373 2.787 0 50 FFAA Cn1cc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c2cc(F)ccc21 797748689 QWKDKHVCSIAWTF-KXBFYZLASA-N 356.397 2.532 0 50 FFAA COc1ncccc1CN1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1529162445 ZTDRVJDWKZUPLQ-FQEVSTJZSA-N 365.477 2.855 0 50 FFAA Cc1csc(SCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)n1 1529159470 REIKWWSRVBALAL-GDBMZVCRSA-N 364.492 2.505 0 50 FFAA CCOc1ccc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc1 1529184556 AVBBDDYISSENDC-TZIWHRDSSA-N 366.461 2.983 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)CCc1c(C)noc1C)C2 219384428 FDSZYCXYCOKWFO-SJORKVTESA-N 359.470 2.640 0 50 FFAA CCN(C)c1ccnc(N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704325142 JKNTWEIYIUCTDN-APWZRJJASA-N 363.465 2.521 0 50 FFAA CN(C(=O)c1ccc(OC(F)(F)F)cc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297977 ZCOXCDWFMAAORR-FRRDWIJNSA-N 356.344 2.572 0 50 FFAA O[C@@H]1CN(Cc2noc(C3CC3)n2)C[C@H]1Cc1ccnc2ccccc12 1704331969 NUXBYRLNOBWMSZ-CRAIPNDOSA-N 350.422 2.531 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccn1 12305878 MEZWEMQHTUBTDS-ZDUSSCGKSA-N 364.405 2.838 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)cc1OC 12975427 ZGZGWXWLWOWRCP-AWEZNQCLSA-N 352.412 2.526 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCc1nccs1)C2 14746938 BMOGRPOJOGORBS-CQSZACIVSA-N 373.526 2.633 0 50 FFAA O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc(Cl)c1Cl 16578838 ANHMKWHSUBZSJF-UHFFFAOYSA-N 364.192 2.987 0 50 FFAA COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2F)CC1 19566929 BLMXIMUHIGTWLI-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1cccc(-n3nc(C)cc3C)c1)C2 1857677114 XNMDWGVMAMXFFD-HXUWFJFHSA-N 354.454 2.906 0 50 FFAA O=C(NCCc1cn[nH]c1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695812 YYJJZQNXXXQYJB-CYBMUJFWSA-N 373.844 2.780 0 50 FFAA c1cc(-c2nccn2C[C@H]2CC3(CCNCC3)CO2)cc(-n2cccn2)c1 1857698684 DCEVASYJBXDSRK-LJQANCHMSA-N 363.465 2.895 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ccncc3F)C[C@]23CC[C@H]1O3)c1cccs1 1857716284 FYXWFQHQJMJNJV-HAELCTKSSA-N 373.453 2.696 0 50 FFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cccc(C(=O)O)c1 236588038 ZUDNFGWYRLOZAT-LJQANCHMSA-N 366.417 2.537 0 50 FFAA Cc1cc([C@H]2CN(c3nccc(N[C@H]4CCCOC4)n3)CCO2)ccc1F 333141642 KKGYSXGELZFHRF-FUHWJXTLSA-N 372.444 3.093 0 50 FFAA CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CCCN(Cc2ccccc2)C1 127308216 KZQQNHQFUZUTFU-GOSISDBHSA-N 352.482 2.956 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCO1 237963417 CSQMKJGELXYALD-JTQLQIEISA-N 371.233 2.650 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncccc1Cl)C2 251992297 JKOMLWSSLQQLJN-KGLIPLIRSA-N 360.845 2.967 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 252202269 UIZLJZJAVGYIIK-DVOMOZLQSA-N 352.456 2.746 0 50 FFAA Cn1cc(-c2cc(CN3CCC[C@@](CO)(c4ccccc4)C3)on2)cn1 374557894 AENONGZOMVYFQA-HXUWFJFHSA-N 352.438 2.601 0 50 FFAA O=C(CCc1ccccc1N1CCOCC1)N[C@]12CCCC[C@H]1OCC2 2325766870 YGKXQSPFXZTTTO-CTNGQTDRSA-N 358.482 2.674 0 50 FFAA Cc1cc(C)n2ncc(-c3noc([C@@H](CN)Cc4ccc(F)cc4)n3)c2n1 2325783199 CELGALYJNPQXJN-CQSZACIVSA-N 366.400 2.820 0 50 FFAA CCC(=O)N(C)Cc1cccc(CNC(=O)Cc2cc(C3CC3)on2)c1 2325866955 GIALUAFKXQUMBK-UHFFFAOYSA-N 355.438 2.779 0 50 FFAA CC(=O)NCC[C@H]1CCCN(C(=O)Cc2ccc3cnccc3c2)CC1 2325868070 NVYAHTBPBJZTLW-QGZVFWFLSA-N 353.466 2.932 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)C1 2325889575 XJTYBPLSEKUMPP-WMLDXEAASA-N 362.420 2.923 0 50 FFAA Cn1ccnc1SCC(=O)N1CCC2(CC1)OCCc1sccc12 2356149671 PGJDSLHUPHEESB-UHFFFAOYSA-N 363.508 2.664 0 50 FFAA COC(=O)[C@H](Cc1ccc(O)cc1)NCc1c[nH]nc1-c1ccc(F)cc1 55153862 ZJUIURLWQUJVOM-SFHVURJKSA-N 369.396 2.795 0 50 FFAA COc1ccc(N2C[C@H](C(=O)Nc3cccc(F)c3)CC2=O)c(OC)c1 8217558 BTAFVCGHHYJHDJ-GFCCVEGCSA-N 358.369 2.835 0 50 FFAA Cc1ccc2c(CC(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)coc2c1 23214620 VORIYJWHIMQMGA-CQSZACIVSA-N 351.406 2.773 0 50 FFAA COc1cccc(CN2CCC[C@@H](NCc3cccc(OCCO)c3)C2)c1 23373569 KAZLLHPSICBUMI-HXUWFJFHSA-N 370.493 2.821 0 50 FFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)C12CCCCC2 20737233 LTDOCTYQQCVCKP-GOSISDBHSA-N 356.466 2.854 0 50 FFAA CC[C@H]1CN(CCn2cc(CNCc3ccccc3C)c(C)n2)CCO1 65526544 VQVGATPHNREZTF-NRFANRHFSA-N 356.514 2.901 0 50 FFAA O=C(c1coc(COc2cccc(F)c2)n1)N1CC(N2CCCCC2)C1 67964920 TZAFMWNQOVDQHU-UHFFFAOYSA-N 359.401 2.703 0 50 FFAA Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCC[C@H]2c2ccncc2)c1C 118555056 WXHOANOBJUEOAV-KRWDZBQOSA-N 374.466 2.715 0 50 FFAA CCOc1nc(C)ccc1C(=O)N1CCN(C(=O)C(C)(C)C)CC1(C)C 331151677 UNGVPBQPXFAUFA-UHFFFAOYSA-N 361.486 2.898 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)c1 72409437 NVDVNJQHKHZTFI-UHFFFAOYSA-N 372.509 2.913 0 50 FFAA C[C@H](C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1)n1cncn1 67725617 WLQATWCFHWALRP-CYBMUJFWSA-N 368.416 2.775 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2cccc(OC3CCCC3)c2)CC1 123453987 DPJAPBCKICSJMF-UHFFFAOYSA-N 352.500 2.522 0 50 FFAA Cc1nn(CCc2nc3c4ccccc4ncn3n2)cc1Br 2806914 XJJPVFFVBVUESW-UHFFFAOYSA-N 357.215 2.788 0 50 FFAA Cc1nn(C)c2sc(C(=O)N[C@H]3CC(=O)N(C4CCCCC4)C3)cc12 328689581 BKLNTBCTDXGUTI-LBPRGKRZSA-N 360.483 2.607 0 50 FFAA C[C@]1(CNC(=O)c2cc(C(N)=O)cs2)CCCN1Cc1ccccc1 154828294 QPVHOWCIHBJAFB-LJQANCHMSA-N 357.479 2.632 0 50 FFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(OC2CCOCC2)CC1 364828314 PIRPSAQPHYZGII-INIZCTEOSA-N 358.482 2.624 0 50 FFAA Cn1cc(Br)cc(NC(=O)NC[C@@]2(C)CCCS2)c1=O 155066215 IIJQPTMPIPJVJZ-CYBMUJFWSA-N 360.277 2.555 0 50 FFAA C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Cn2ccnn2)CC1 155633729 SYOZYMCDYQEXAU-ZDUSSCGKSA-N 370.482 2.627 0 50 FFAA O=C(c1cccc2c[nH]nc12)N(Cc1nccs1)[C@@H]1CC12CCNCC2 435569698 SYXBNGZKHMGVRL-OAHLLOKOSA-N 367.478 2.804 0 50 FFAA COc1cc2c(cc1CN1CCC[C@@H](C(=O)c3ccccn3)C1)OCCO2 216500967 CPQZGTSAKXOTMS-OAHLLOKOSA-N 368.433 2.956 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N1CCCC[C@H]1CCn1cccn1 77321215 ZDOODXYXRSJEGV-KRWDZBQOSA-N 351.447 2.797 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)c1 77505159 AGZYUCLNSINSKK-QGZVFWFLSA-N 374.481 2.715 0 50 FFAA CC(C)C[C@H](O)C1CCN(C(=O)CCn2c(CO)nc3ccccc32)CC1 77425557 GKAJODBHGFDOKQ-IBGZPJMESA-N 373.497 2.564 0 50 FFAA O=C(CCCn1cncn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 77342701 ZTKMYIZKSOYTHY-MRXNPFEDSA-N 356.405 2.828 0 50 FFAA COCCN1CC[C@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 77539710 RMFZTJKTBGPBPK-HNNXBMFYSA-N 366.889 2.678 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCc2ccc(F)cn2)C1 458556878 KJKLEWQTOVRYEZ-MRXNPFEDSA-N 356.445 2.884 0 50 FFAA Cc1nn(C)c(C(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)c1Cl 72146422 YJQCHZPPTFIEOM-LJQANCHMSA-N 372.856 2.532 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C2Cc3ccccc3C2)CC1 77505965 RPKYEIUELPMZRQ-UHFFFAOYSA-N 353.514 2.706 0 50 FFAA Cc1nnsc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72480104 FIBMCQWMFGZHGN-UHFFFAOYSA-N 371.384 2.989 0 50 FFAA CN1CCC(O)(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 223144252 MXXSAASSBJRANF-UHFFFAOYSA-N 350.768 2.545 0 50 FFAA COCc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1 242178782 XAVQVJCNNCNXLA-KRWDZBQOSA-N 357.410 2.739 0 50 FFAA O=C(COc1cccnc1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 220324227 SJIRPHWQCAZBPJ-GRXDXKALSA-N 363.417 2.637 0 50 FFAA CC[C@@H](NC(=O)N1Cc2nc(C)nc(O)c2C1)c1nc2ccc(C)cc2[nH]1 426428307 VGDAMHLJXZUBIA-CYBMUJFWSA-N 366.425 2.852 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1 44921984 JEOILYPDJFDXCE-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA O=C1C[C@]2(CCN(c3nc(-c4ccccc4)nc4ccccc34)C2)C(=O)N1 82136935 DBKBRQCPIHVPCV-NRFANRHFSA-N 358.401 2.540 0 50 FFAA O=C(c1cccc(OCC(F)F)n1)N1CCCN(c2nccs2)CC1 179439091 XSNAJYFXGJVSKC-UHFFFAOYSA-N 368.409 2.535 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N(C)CCN2CCCC[C@H]2C)c1 96165450 CLQSTGJPDLWTPA-OAHLLOKOSA-N 362.474 2.610 0 50 FFAA COc1ccc(-n2cc([C@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)cn2)cc1 91551514 RWBWXJYAYYQLOR-AWEZNQCLSA-N 366.421 2.677 0 50 FFAA CC(=O)NCCOc1ccc(-c2nc(C)nn2Cc2ccc(F)cc2)cc1 96179566 SSGNLEVEFBBRMM-UHFFFAOYSA-N 368.412 2.956 0 50 FFAA NC(=O)CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95356724 DASHXTNCEXNEJF-SFHVURJKSA-N 369.509 2.513 0 50 FFAA COCCc1noc(CN2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n1 92038647 FSGDRFYGEGEEGR-FQEVSTJZSA-N 373.453 2.832 0 50 FFAA CCC(=O)Nc1cc(NC(=O)NCc2nnc(CC)s2)ccc1OC 97243859 IWBZNUMSHHRRDI-UHFFFAOYSA-N 363.443 2.779 0 50 FFAA O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1cc(-c2ccc(F)cc2)[nH]n1 238193603 DZAFFTVYKQFKIK-OAHLLOKOSA-N 367.380 2.889 0 50 FFAA c1csc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 95361799 MUKZTKWQLWRHAV-ZTFGCOKTSA-N 355.463 2.938 0 50 FFAA CCc1nc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)no1 95376859 WUCZKSDHWLHHHR-CYBMUJFWSA-N 358.471 2.713 0 50 FFAA Cc1nnc(SCCNC(=O)c2c[nH]nc2-c2cccc(F)c2)s1 91663024 ALODNXWJBXVCNM-UHFFFAOYSA-N 363.443 2.898 0 50 FFAA CC(C)(C)c1noc(CCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)n1 236747770 RTEOEEIKAYQZHC-HNNXBMFYSA-N 371.437 2.728 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2ccccn2)CC1 91693604 IVRQSLBZZHAGLG-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA CS(=O)(=O)CCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 182051137 KGGCYZNVQFHVEV-UHFFFAOYSA-N 357.435 2.789 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2CCN(c3ncnc(C)c3C)CC2)c1 244564015 CLCURIUPQAYYSA-UHFFFAOYSA-N 367.497 2.861 0 50 FFAA CCn1c(CN(C)CCOc2cccc(Cl)c2)nnc1[C@H]1C[C@H](N)C1 252572179 YWVOROYDPSTMCG-CTYIDZIISA-N 363.893 2.667 0 50 FFAA O=C(NCCc1ncc[nH]1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 534675388 OCNGHLLDOZUFOG-WAOWUJCRSA-N 368.481 2.814 0 50 FFAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1NCCc2nc[nH]c21 534660394 QROSNNSGDJSDRS-OAQYLSRUSA-N 360.461 2.935 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc2cnn(C)c2c1)CC3 1940196125 MCVIEQMFBWFEDO-UHFFFAOYSA-N 361.405 2.657 0 50 FFAA CCc1cc(C(=O)NCc2cc3n(n2)CCN(C(=O)C2CCC2)C3)cs1 299763497 XDRLOCOOFZJRDI-UHFFFAOYSA-N 372.494 2.579 0 50 FFAA Cn1nc(CNC(=O)CCN2CCCCCC2=O)c2c(Cl)cccc21 299796586 NLYSCPQWSPABKF-UHFFFAOYSA-N 362.861 2.636 0 50 FFAA CC(C)CN(C)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 299773332 DYMURLDIEILPTQ-LBPRGKRZSA-N 363.483 2.741 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(C)Cc1cccnc1 299762856 CGQAZACPYSSOLO-SFHVURJKSA-N 369.465 2.941 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)[C@@H]1CCCN(c2ccccn2)C1 827736457 ROKUSNAMOOJHCS-CYBMUJFWSA-N 369.450 2.726 0 50 FFAA Nc1nc(CCCN[C@H]2CCC(=O)N(Cc3ccccc3)CC2)cs1 827597776 KGPSVPMUCPMOSM-INIZCTEOSA-N 358.511 2.829 0 50 FFAA CCCN1C[C@@H](NC(=O)CCC(=O)Nc2ccccc2C(C)(C)C)CC1=O 822919233 UTPHEOVYXZMQEG-HNNXBMFYSA-N 373.497 2.830 0 50 FFAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(-c2cnc(OC)cc2C)cc1 584884856 QNIMJWBSGSHYJM-OALUTQOASA-N 369.465 2.515 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)nc(N)n1 670452782 PUGRNRBXQNGSTJ-ZDUSSCGKSA-N 359.499 2.638 0 50 FFAA Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)cc(-c2ccccc2)c1 1875307019 HFMJAWHJFFWGNS-DNVCBOLYSA-N 352.434 2.878 0 50 FFAA CCn1ccc(CN(C)C(=O)c2c3c(nn2CCOC)[C@H](C)O[C@H](C)C3)c1 1875315769 GUUIHBINQHPIEN-CABCVRRESA-N 374.485 2.645 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)C1 1875370987 KMAYDVGIVFFQNV-TZMCWYRMSA-N 362.857 2.877 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCC1 1875385941 FWKZPIAEWNLRSU-SNVBAGLBSA-N 361.389 2.753 0 50 FFAA CCN1C(=O)CC[C@H](CNc2nccc3occc23)[C@H]1c1nccn1C 952852787 MAROBJMVHRTYCM-DYVFJYSZSA-N 353.426 2.973 0 50 FFAA CC(C)c1nc2c3ccccc3n(Cc3noc(C(C)C)n3)c(=O)n2n1 1875257066 VBYROPUXEBCRMH-UHFFFAOYSA-N 352.398 2.722 0 50 FFAA O=c1oc2ccccc2n1CCN[C@@H]1CCCN(Cc2cccs2)C1 952969523 NXIKPCJLSAVEGV-OAHLLOKOSA-N 357.479 2.910 0 50 FFAA CCc1nccn1CCC(=O)NC[C@@H](c1cccnc1)N1CCCCC1 952972590 QBFKEXYQHHMMBC-SFHVURJKSA-N 355.486 2.574 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cccc(Cl)c2F)C1 888076854 MVEBAWMVQJXRDH-IMJJTQAJSA-N 354.853 2.780 0 50 FFAA O=C(NS(=O)(=O)CC1CCC1)c1cncc(-c2ccc3c(c2)CCO3)c1 165000007 VFAXYGOKKWAQSP-UHFFFAOYSA-N 372.446 2.543 0 50 FFAA O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cc(F)c(F)cc1F 167316743 FLPADMPCNPOALA-ZWZTZDBGSA-N 361.385 2.730 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)Nc1nc2c(s1)COCC2 172258013 MSTCRUPNLQMLGV-UHFFFAOYSA-N 369.450 2.782 0 50 FFAA CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1nnc(Cc2cccc(F)c2)s1 188905828 VIDRZHPIHSDEPA-VXGBXAGGSA-N 350.419 2.549 0 50 FFAA O=C(COc1ccccc1-c1ccccc1)N1CCOC[C@@]12CCOC2 194429324 FVRWWERAQSVWMT-NRFANRHFSA-N 353.418 2.750 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 195413591 MAJXKEHHTBQFTL-INIZCTEOSA-N 366.483 2.544 0 50 FFAA O=C(Cc1ccccc1)N1CCC2(CC1)CN(C1CCSCC1)CCO2 1506419978 OZYBAXMFNFJNBY-UHFFFAOYSA-N 374.550 2.818 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(C2CC2)[nH]n1 1704343559 JJJNWADDSRQPOD-FOIQADDNSA-N 362.433 2.823 0 50 FFAA O=C(N1C[C@H](Cc2cnccn2)[C@@H](O)C1)C1(c2ccccc2)CCCCC1 1615738874 ADJTZBITGCCJKY-PXNSSMCTSA-N 365.477 2.741 0 50 FFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 1848444003 BLOQVCGQDNNYAB-MJGOQNOKSA-N 371.389 2.664 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 12320843 ZYUOBJKYJLTBGD-HNNXBMFYSA-N 374.462 2.682 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@]3(CCN(S(C)(=O)=O)C3)C2=O)cc1 12475298 GOXMMAKDQXEBGU-IBGZPJMESA-N 364.511 2.584 0 50 FFAA O=C(NC[C@H]1CCc2ccccc2O1)c1cn(Cc2ccccc2F)nn1 12593976 MNNJWJTXEWDRDO-MRXNPFEDSA-N 366.396 2.589 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc(N)c(-c2ccccc2)c(=O)[nH]1 13483133 DVAITSLMLOSNOV-BETUJISGSA-N 372.494 2.901 0 50 FFAA CCc1ccc(-c2ccc(N3C[C@H](C)C[C@@H](C)C3)nn2)cc1S(N)(=O)=O 16648133 ROAACHUOLCOMDO-ZIAGYGMSSA-N 374.510 2.836 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCC(O)(c2ccccn2)CC1 19838845 VOMGCYQKMPTLSO-AWEZNQCLSA-N 357.479 2.691 0 50 FFAA Cc1nc(N2CCC(C(=O)NCc3ccco3)CC2)cc(C(F)(F)F)n1 169772575 SXICPYIEDZWUHW-UHFFFAOYSA-N 368.359 2.930 0 50 FFAA Cc1nc(C)c(C(=O)N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)s1 1857685497 LHZYNYNCAWKIFQ-IBGZPJMESA-N 371.462 2.649 0 50 FFAA C/C=C(\C)CN1C[C@@H](C(=O)O)C2(CCN(C(=O)c3ccn(C)c3C)CC2)C1 1857686814 JAXWJZYKVICCDQ-IQXODGKNSA-N 373.497 2.539 0 50 FFAA CCN(CC)Cc1cc(-c2nccn2C[C@@]2(O)CCCNC2)ccc1OC 1857696738 ANMGXDKMJKNURW-OAQYLSRUSA-N 372.513 2.515 0 50 FFAA COc1cccc2c1[C@H](C(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CC2 431994751 XDHCPOIHLJVJNP-QGZVFWFLSA-N 358.482 2.830 0 50 FFAA Cn1cc(Br)c(CNC(=O)N2CC[C@@H](C3CCCC3)C2)n1 333127044 AKUHEKPWRDDSAY-GFCCVEGCSA-N 355.280 2.904 0 50 FFAA CO[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 266852969 XIYGTUQHEYRXNY-IXDOHACOSA-N 351.878 2.906 0 50 FFAA CCn1c(CNC(=O)c2cc(O)nc3c2CCCC3)nc2ccccc21 929405601 PNZPNNCUUUTXEF-UHFFFAOYSA-N 350.422 2.966 0 50 FFAA C[C@@H](C(=O)O)N1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1857781516 ZSCNBVCYDQALTD-ZDUSSCGKSA-N 366.417 2.682 0 50 FFAA CCC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100076463 GVMWTGLMLKEKAB-GOSISDBHSA-N 368.408 2.939 0 50 FFAA COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccccc4)C3=O)c2c1 18223025 WRBSYGJAGIIMKC-LJQANCHMSA-N 363.417 2.641 0 50 FFAA biogenic CCOc1ccc(C(=O)NCCc2nc3ccc(F)cc3n2C)cc1O 2325804494 SMDMYTRCMZNUCM-UHFFFAOYSA-N 357.385 2.789 0 50 FFAA COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 979514 LDOQABMOOFXNGD-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA COC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C(=O)OC)c1C 995268 HNGPYFJFSAJIIE-UHFFFAOYSA-N 368.798 2.930 0 50 FFAA COC(=O)c1cc(S(=O)(=O)n2nc(C)cc2C)c(Cl)cc1Cl 1203747 YPLHRNZIIQRVOQ-UHFFFAOYSA-N 363.222 2.830 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccc(C)cc2)[C@](O)(c2ccc(Cl)cc2)C1 1214313 AFNFSTJCGKLWEL-LJQANCHMSA-N 372.808 2.869 0 50 FFAA CN1CC(=O)N=C1NP(=O)(OCc1ccccc1)OCc1ccccc1 2311877 FFEFFWWQHCAWCF-UHFFFAOYSA-N 373.349 2.946 0 50 FFAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)n(C)n1 2356139649 GZDPBTMPSZVTEF-LBPRGKRZSA-N 370.844 2.744 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(=O)c2ccccc2o1 3196043 XQCLTYPOZCMODB-UHFFFAOYSA-N 350.374 2.882 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 4756777 QDIJTPUGGCTKBI-OAHLLOKOSA-N 374.462 2.705 0 50 FFAA O=c1cc(-c2ccccc2)nc(N2CCN(c3ccccc3F)CC2)[nH]1 9668953 GBFHOGIVWYLLNW-UHFFFAOYSA-N 350.397 2.903 0 50 FFAA COc1cc(Cl)ccc1OCc1cc(C(=O)NC[C@H]2CCCO2)no1 67847218 MBQPSNBDZSHRDS-GFCCVEGCSA-N 366.801 2.824 0 50 FFAA COc1cc2c(cc1CN(Cc1cccnc1)C[C@@H]1CCC(=O)N1)CCC2 215754290 VBXUETSKUYMXBV-FQEVSTJZSA-N 365.477 2.860 0 50 FFAA CC(C)(C)C(=O)NCC(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 252506923 WDHWLJTVWAIWTP-UHFFFAOYSA-N 358.467 2.719 0 50 FFAA COc1ccc(CCNC(=O)CN2CCc3c([nH]c4ccccc34)C2)cc1 67851782 HHOSOEBHOPTNAX-UHFFFAOYSA-N 363.461 2.894 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1cc[nH]n1 67956336 BNKDOAAYKRPJEC-UHFFFAOYSA-N 362.368 2.931 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCOC(C)(C)C3)C2=O)cc1 67851895 CBNRGRLDKAXYRA-QFIPXVFZSA-N 374.525 2.774 0 50 FFAA O=C(c1coc(-c2ccccc2Cl)n1)N1CCc2nnc(O)cc2C1 476070502 FBNLRYKRPVZSHK-UHFFFAOYSA-N 356.769 2.689 0 50 FFAA CC(C)=CCN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1CCO 22919744 RXOLWAYPEDWKBX-NRFANRHFSA-N 372.488 2.846 0 50 FFAA COC(C)(C)C[C@H](C)NC1CCN(S(=O)(=O)c2ccccc2)CC1 65370837 KWBBZCNWBAENRA-HNNXBMFYSA-N 354.516 2.633 0 50 FFAA CC[C@H](NC(=O)c1cc(C)c(C)n(C)c1=O)c1ccc(OC)c(OC)c1 215320667 DLMAMWBVICIVKU-INIZCTEOSA-N 358.438 2.900 0 50 FFAA NC(=O)[C@H]1CCCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 12302028 WKGXQHDBGHKOFD-LBPRGKRZSA-N 372.425 2.539 0 50 FFAA Cc1cc(CN(C)C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)no1 67676152 KLHMXRQGFIPOBO-HXUWFJFHSA-N 363.502 2.739 0 50 FFAA Cc1nn(C)cc1C(=O)Nc1cnn(-c2ccccc2Br)c1 154961543 XQMDJJMVEIUBQS-UHFFFAOYSA-N 360.215 2.929 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](Nc2ncnc3c2cnn3C(C)(C)C)CCO1 328618737 DZRLNTUGEBQDHR-WFASDCNBSA-N 355.446 2.647 0 50 FFAA Cn1cccc1[C@@H]1CCCCN1C(=O)CCN1C(=O)COc2ccccc21 173561099 HUKSAYDGYGOREM-KRWDZBQOSA-N 367.449 2.894 0 50 FFAA NC(=O)COc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 71439501 BVFBVJLWUUBWKT-SFHVURJKSA-N 360.841 2.778 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccoc1C1(O)CCOCC1 370204637 RZKFRZVAMAHCFC-BPQIPLTHSA-N 353.418 2.736 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 368792137 VAVZXDACGDNLGX-QFIPXVFZSA-N 372.428 2.667 0 50 FFAA CCc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)o1 39371917 LLWOZACAFTUASV-LJQANCHMSA-N 363.546 2.583 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 223302385 PZUUZNRPZKLYQM-QYGXFBIXSA-N 364.449 2.677 0 50 FFAA Cc1nc(Cl)c(Cl)n1CC(=O)Nc1cc(-c2ccccn2)nn1C 48072030 KIPYIXCDQVSTKN-UHFFFAOYSA-N 365.224 2.933 0 50 FFAA COc1cc(CNC(=O)N2CCN(C3CCCCC3)CC2)cc(OC)c1 426428917 JSEPQDNGEJIZHF-UHFFFAOYSA-N 361.486 2.864 0 50 FFAA Cc1cccc([C@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)C(=O)O)c1 220735446 IILDEFXQODNYIC-IBGZPJMESA-N 366.461 2.901 0 50 FFAA O=C(NCc1nc2c(s1)CCCC2)C1CCN(C2CCOCC2)CC1 426477495 BQDNWAAYEBLMKY-UHFFFAOYSA-N 363.527 2.529 0 50 FFAA COc1cc(F)c(CSc2nnc([C@@H]3CCCNC3)n2C)cc1OC 426685261 HHECZOHQTJHSSA-LLVKDONJSA-N 366.462 2.731 0 50 FFAA COc1ccc(CN2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)c(C)c1C 426734007 MAFIAYGCRGSVGQ-HLAWJBBLSA-N 363.498 2.833 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)[C@H](O)c1ccccc1 95357278 YXLMROYDLGBOBT-KXBFYZLASA-N 358.482 2.654 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCCN(Cc2cccnc2)CC1 95499629 NAPARAINEAYPOW-UHFFFAOYSA-N 368.437 2.593 0 50 FFAA C[C@@]1(NC(=O)Nc2ccc(CCc3ccccn3)cc2)CCS(=O)(=O)C1 426707479 SOFHZDCMGNCTIP-LJQANCHMSA-N 373.478 2.566 0 50 FFAA O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc[nH]n1 179345935 URVXWYSREWHVNZ-IAGOWNOFSA-N 356.426 2.730 0 50 FFAA COc1cc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)ncn1 91663777 FVULRBMUVXDVLJ-INIZCTEOSA-N 350.426 2.509 0 50 FFAA Cc1oncc1C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95365689 UUHHPZMWWKLKPA-ATZDWAIDSA-N 373.403 2.964 0 50 FFAA Cc1ccc([C@@H](CCO)NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 91416873 GTETYWWWPNWGDE-MRXNPFEDSA-N 351.406 2.944 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1cn3cc(C)ccc3n1)CO2 91746520 QLBSFDGEYJFKLD-HNNXBMFYSA-N 351.406 2.519 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc2ccccc12 239164881 NBPDULKKVXOPCZ-XYNCURNNSA-N 372.424 2.831 0 50 FFAA Cc1ccccc1CC1(NC(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 97805584 MWCNPNQOSRJVIS-FQEVSTJZSA-N 365.477 2.655 0 50 FFAA Cc1ccnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 95390412 KZMBMTLMJKHSMB-PWIZWCRZSA-N 364.449 2.580 0 50 FFAA O=C(O)c1ccc(COc2ccc(CN3CCN4CCC[C@@H]4C3)cc2)o1 97756402 UYHZLNZQENPHHY-MRXNPFEDSA-N 356.422 2.837 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)o1)CC2 96165141 PFHRKJVCGSJVFQ-UHFFFAOYSA-N 372.469 2.549 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCc1cc(Cl)no1)C2 91644445 KGZGDWDKROXUCA-NSHDSACASA-N 350.802 2.637 0 50 FFAA COCc1nc(NCc2nc3cc(C)ccc3[nH]2)cc([C@H]2C[C@@H](N)C2)n1 244840344 ULHKDZDEYIMHEC-BETUJISGSA-N 352.442 2.625 0 50 FFAA COCc1nnc(NC(=O)CN2CC[C@H](c3ccccc3Cl)C2)s1 244633206 FZDKLSJDBIZPRM-NSHDSACASA-N 366.874 2.766 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@@H]1COc2ccccc2O1 244875035 XLMOSSRBUJDVMU-CYBMUJFWSA-N 374.466 2.516 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H](Cc3ccccn3)[C@H]3C[C@H](O)C3)cc2o1 252552458 USSAEGXUCCDKHQ-QGPMSJSTSA-N 351.406 2.643 0 50 FFAA COc1cccc2c(C)c(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)oc12 299749003 IWDYYSLBLNBRBQ-CYBMUJFWSA-N 361.394 2.846 0 50 FFAA O=C1NC[C@H](NCc2cc(F)ccc2F)n2nc(-c3ccc(F)cc3)cc21 263618379 SRFZBUQZWNCHIU-GOSISDBHSA-N 372.350 2.999 0 50 FFAA Cn1c(CNc2ccc(C(=O)N3CCC(O)CC3)cc2)nc2ccccc21 280774891 PCINQANUTCODBA-UHFFFAOYSA-N 364.449 2.782 0 50 FFAA Cc1ccc([C@H](CNC(=O)N2CCc3ccccc3C2)N2CCOCC2)o1 53564624 FREPWQOUNVUJAW-IBGZPJMESA-N 369.465 2.729 0 50 FFAA O=C(NC1CCOCC1)c1cccc(-c2cc(N3CCCC3)cnn2)c1 299757649 LQSWAYRKRZWUQL-UHFFFAOYSA-N 352.438 2.653 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)NCC[C@@H](C)n3ccnc3)CC2)n1 584897830 WVELWXDWHDQCMG-CQSZACIVSA-N 360.462 2.930 0 50 FFAA COCC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccccc2F)no1 584887857 ZTYHAUZDWNEJHY-CYBMUJFWSA-N 362.405 2.976 0 50 FFAA Cc1cc(-c2ccc(S(=O)(=O)NCc3cc(CC(C)C)no3)o2)on1 670474090 WLCGYIPMPPGIFJ-UHFFFAOYSA-N 365.411 2.908 0 50 FFAA Cn1ncc2c1C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)CC2 1875300597 JWPOYVHWJABNDK-CQSZACIVSA-N 352.360 2.796 0 50 FFAA CC1(c2cc(C(=O)N[C@@]34CCC[C@H]3N(C(=O)C3CC3)CCC4)no2)CC1 1875404996 IXABHSUSGOFJBQ-FOIQADDNSA-N 357.454 2.780 0 50 FFAA Cc1conc1C(=O)N1C[C@H]2CC[C@H]1CN2Cc1ccc2c(c1)COC2 1875407371 XYTVIEHQEKNLTD-MSOLQXFVSA-N 353.422 2.502 0 50 FFAA Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12 185301937 PQLCSMNRZDOOGJ-QRWLVFNGSA-N 354.454 2.669 0 50 FFAA Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)nc(N(C)C(C)C)n1 1875273514 DLPNLCJUOQYFTD-HNNXBMFYSA-N 355.490 2.940 0 50 FFAA COc1ccc(-n2cc(C(=O)NCc3csc(C(C)C)n3)nn2)cc1 1875271585 VKJCLFYZTWXKBJ-UHFFFAOYSA-N 357.439 2.786 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2[nH]1 952989227 UAUTYTCZRUEKRT-ZDUSSCGKSA-N 366.421 2.705 0 50 FFAA CN1CCO[C@@H](CN[C@H]2CCCc3cc(F)ccc32)[C@@H]1c1ccnn1C 886085121 BFGBVBIWXPDQAH-IHPCNDPISA-N 358.461 2.598 0 50 FFAA CC(C)=CCC/C(C)=C/CN1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 1565510444 QNHQBUQUVFWXIZ-MZUIDTLKSA-N 357.498 2.939 0 50 FFAA CCOC(=O)C[C@@](C)(NC(=O)c1cncc(Br)c1)C(C)C 170599345 PJUYLTYWXQNYDD-OAHLLOKOSA-N 357.248 2.942 0 50 FFAA CN(C)Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1 170609246 UBFTYKYXSDANSD-UHFFFAOYSA-N 370.478 2.794 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529196079 URWGXBUDMIYXHE-RHSMWYFYSA-N 364.367 2.705 0 50 FFAA COc1ccc(NC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1 1704358614 PQLCCBZLLCCWMO-HLLBOEOZSA-N 373.497 2.601 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)cc2)n1 216236700 DOBZPXWKECKKEQ-ICSRJNTNSA-N 352.482 2.714 0 50 FFAA COc1cccc2ccc(N3CC[C@H](O)[C@@](CC4CC4)(C(=O)O)C3)nc12 1772806184 VHTRYYWLSMABDA-JXFKEZNVSA-N 356.422 2.686 0 50 FFAA COc1ccccc1-c1ncc(CNC(=O)[C@H]2CC3CCN2CC3)s1 1775983275 JITODCNYEVMNHV-MRXNPFEDSA-N 357.479 2.919 0 50 FFAA Cn1cc(Cl)c(C(=O)N2CCCN([C@H]3CCc4ccccc4C3)CC2)n1 1775980813 BPAURUZZMVYRFJ-KRWDZBQOSA-N 372.900 2.779 0 50 FFAA COC(=O)CCCNC(=O)c1csc2nc(-c3cccc(OC)c3)cn12 11935112 LVOXXXHUFFUDDJ-UHFFFAOYSA-N 373.434 2.754 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)c3ccccc3C)CC2=O)cc1 11954190 HEEFBCJIBPQJRS-QGZVFWFLSA-N 352.434 2.577 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)no2)cn1 12308332 SHXIZWAQCXRJFH-CQSZACIVSA-N 369.425 2.589 0 50 FFAA O=C(CCN1CCCCO1)N1CCC(CO)(CCc2ccccc2)CC1 12439699 SMONIQOJFGSVAZ-UHFFFAOYSA-N 360.498 2.638 0 50 FFAA COc1cccc(CN2C[C@H](OCC3CC3)CN(CC3CC3)CC2=O)c1 14531566 RGLWUWLKHQLAHL-HXUWFJFHSA-N 358.482 2.545 0 50 FFAA COCC(=O)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 15074527 CRSQRZYCYKJVQU-IBGZPJMESA-N 365.562 2.602 0 50 FFAA Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857668193 JMZLFFZOJBHPNT-PKOBYXMFSA-N 354.450 2.913 0 50 FFAA O=C(c1ccccc1-c1ccccc1F)N1C[C@@H]2CCOC[C@]2(CO)C1 1857668834 LUROAVGVHCRWDP-YCRPNKLZSA-N 355.409 2.964 0 50 FFAA COc1ccc(N2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)cn1 1857679124 GJERHZBLDGWNCY-UHFFFAOYSA-N 355.467 2.864 0 50 FFAA COc1ccc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)cc1OCc1ccc(F)cc1 1857679646 OZILQHMGEKHPJP-FUHWJXTLSA-N 370.424 2.734 0 50 FFAA Cc1cc(C(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)nc(C)n1 1857681118 YNQKYRWALFKECM-UHFFFAOYSA-N 361.449 2.735 0 50 FFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)CCC(F)(F)F 1857700310 SDSRBGOOSKROQK-JJRVBVJISA-N 354.372 2.807 0 50 FFAA Cc1ccccc1-c1ncc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)s1 1857736794 WFISKQDNJWRGFS-APWZRJJASA-N 355.463 2.652 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 1857741595 ZVVMNKCTQUELID-LBPRGKRZSA-N 368.466 2.905 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cnc4ccnn4c3C)C[C@@H]2N(C)C)cc1 216858570 ZGEQHVMZBUNXPZ-MOPGFXCFSA-N 363.465 2.516 0 50 FFAA C[C@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 331740537 XBYYNZUKXAONDB-BXKDBHETSA-N 366.215 2.540 0 50 FFAA O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2cncc(OCc4cccc(Cl)c4)n2)[C@H]31 249388817 BNPKUWSLYAQKNP-XBRIKIQZSA-N 357.841 2.915 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 262205369 VXMHLZPVHRKDTC-ARFHVFGLSA-N 359.422 2.807 0 50 FFAA O=C(c1ccc(NC2=NCCC2)cc1)N1CCN(c2cncc(F)c2)CC1 907768773 YVXZYSOVPZUJGR-UHFFFAOYSA-N 367.428 2.787 0 50 FFAA CC1(C)C[C@](C)(C(=O)NCc2nccn2CCCc2ccccc2)CN1 2325809135 JDJQGVVGEBJQOP-NRFANRHFSA-N 354.498 2.910 0 50 FFAA CN1C[C@]23CCC[C@]2(C1)CN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C3 2325828557 KSMCOCNTQITDPG-GIVPXCGWSA-N 357.473 2.563 0 50 FFAA C[n+]1cn(C[C@@H](O)COc2ccc(Br)cc2)c2ccccc21 889923 AKTOTVBUDWLINX-CQSZACIVSA-N 362.247 2.668 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 2821381 ZSIOQPWHGGVIDW-NWDGAFQWSA-N 362.451 2.721 0 50 FFAA COC(=O)[C@@]1(c2ccccc2)CCN(c2c(C)c(C)nc3ccnn23)C1 2356159078 KXIFHMUNHFNRCO-FQEVSTJZSA-N 350.422 2.667 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)c1cnc2cnn(C)c2c1 2356165215 YNJIVKDJCUWVAT-UHFFFAOYSA-N 354.410 2.518 0 50 FFAA O=P(OC[C@@H]1CCCO1)(OC[C@H]1CCCO1)OC[C@H]1CCCO1 4429749 YUUDAJZHJYVGCS-KFWWJZLASA-N 350.348 2.681 0 50 FFAA COc1ccccc1-c1nnc(SCC(=O)Nc2ccccn2)n1C 7455384 JLONMDGGQILAGE-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA COc1ncccc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC[C@@H]1C 55211454 CUGWVWIJZKLNCX-ZDUSSCGKSA-N 368.437 2.820 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 59739796 LYXZBCCTEHBVHH-KRWDZBQOSA-N 357.498 2.620 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101226002 PTPFZUPHZHYKCL-YDHLFZDLSA-N 370.902 2.719 0 50 FFAA O=S(=O)(Nc1cccc2ncccc12)c1cnn(C2CCOCC2)c1 135729618 LQVRNGHVYDHECJ-UHFFFAOYSA-N 358.423 2.584 0 50 FFAA COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c(OC)c1C 20779536 WARYVDSZZMHRRS-IBGZPJMESA-N 362.514 2.823 0 50 FFAA CS(=O)(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(-c2cc[nH]n2)o1 67855998 RDNZNHVMWQQHEG-GFCCVEGCSA-N 372.406 2.515 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC(c2cc(C(C)C)n[nH]2)CC1 67787900 XXFLWUVGIKOABJ-UHFFFAOYSA-N 352.442 2.904 0 50 FFAA COc1cc(NC(=O)CN2CCC[C@@H]2c2nc(C(C)C)no2)cc(OC)c1 65525665 RMSDXCPBLOPJMA-MRXNPFEDSA-N 374.441 2.986 0 50 FFAA COc1coc(C(=O)NCc2cccnc2Oc2ccccc2F)cc1=O 67872516 DFLSEBHXFMSBMF-UHFFFAOYSA-N 370.336 2.905 0 50 FFAA CN(C[C@@H](O)COc1cccc(CN2CCOCC2)c1)C1CCCCC1 12578208 SZOIKQNFBGXXPN-HXUWFJFHSA-N 362.514 2.523 0 50 FFAA O=C(Cc1cccnc1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67867910 PBSJPKBJQKILKW-UHFFFAOYSA-N 361.401 2.813 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1C 65470590 YIPCCMCCMBOKPK-HNNXBMFYSA-N 353.422 2.678 0 50 FFAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@@H](N2CCOCC2)C1 172748269 GSSBAFGRTUYIAS-GOSISDBHSA-N 351.450 2.604 0 50 FFAA Cc1cccc(=O)n1CCCNC(=O)c1cccc(CC2CCNCC2)c1 72167966 AJOXAGGEUXWRMN-UHFFFAOYSA-N 367.493 2.519 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)COc2ccccc2C)cc1OC 3626930 GQHRPCWAXLBKPL-HNNXBMFYSA-N 373.405 2.723 0 50 FFAA Cc1cc(C)nc(NC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)c1 155292940 RHUGKDHYNDZLDH-UHFFFAOYSA-N 365.393 2.611 0 50 FFAA Cn1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c(-c2ccccc2F)n1 72453416 HRUDIARGQITGFZ-UHFFFAOYSA-N 360.356 2.745 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)C1 77422440 AWUATVROZMSACA-KRWDZBQOSA-N 364.445 2.528 0 50 FFAA Cc1n[nH]c2ncc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc12 126344777 QGASHQLSRLBVTJ-LLVKDONJSA-N 369.812 2.911 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2=O)c1 77420380 JGCJZOTVCYIAQO-GOSISDBHSA-N 368.481 2.549 0 50 FFAA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1C[C@H]1C(=O)O 262454395 WYNQANYIVKKMPV-QWHCGFSZSA-N 352.228 2.660 0 50 FFAA Cc1cc(C2CCC2)nc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)n1 72422613 BIOMPTXQUGQRNX-INIZCTEOSA-N 369.517 2.627 0 50 FFAA COc1ccc(CN2CCN(c3nc4ccccc4nc3C)CC2=O)cc1 32581022 QIFHAWOQGNWIKQ-UHFFFAOYSA-N 362.433 2.796 0 50 FFAA NC1(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)CCCCC1 237887800 YAQGCQGMFGLLRY-MRXNPFEDSA-N 355.482 2.791 0 50 FFAA COc1ccccc1-n1cnc2cc(C(=O)NCCC[C@@H](C)O)ccc21 451275733 JAUZAXSDHNNCDZ-CQSZACIVSA-N 353.422 2.925 0 50 FFAA O=C(c1cnn2ccccc12)N1CCCN(Cc2ccc(F)cc2)CC1 77505794 CRRXCIGNIVAXSQ-UHFFFAOYSA-N 352.413 2.822 0 50 FFAA C[C@@H](CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)n1ccnc1 77469749 MRISXQJQEJQTJY-PDRSHUBSSA-N 356.514 2.947 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(N2CCNC2=O)CC1 175657920 ZSKFLYHEIQNWNS-UHFFFAOYSA-N 372.252 2.632 0 50 FFAA Cn1c(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc2cc(C(F)(F)F)ccc21 177816717 HDXNDPBZKVEOFX-QWHCGFSZSA-N 367.371 2.971 0 50 FFAA COc1ccc([C@@H](NC(=O)CCc2ccccc2F)C2CC(O)C2)cn1 223120334 STVVEOJNNBHRLJ-ALLBUHFWSA-N 358.413 2.790 0 50 FFAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccccc2)s1 290251917 ADVCBODFKIWTNZ-GDBMZVCRSA-N 357.479 2.745 0 50 FFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NC2CCCCC2)n1 44890691 YIVFCPVSSSODFH-UHFFFAOYSA-N 359.401 2.507 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 178874338 GJTFKMGZYAZUTE-KRWDZBQOSA-N 367.453 2.937 0 50 FFAA COc1cc(CN2CCC3(CC2)Nc2ccccc2NC3=O)ccc1O 82120203 FRLSLIONZDOEEE-UHFFFAOYSA-N 353.422 2.800 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 91876699 YMZCZXNSOKPDFY-KRWDZBQOSA-N 358.461 2.880 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3cc(-c4cccnc4)no3)C2)no1 426478951 PABDQSFACSXNDX-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA Cc1nn(CC(=O)N2CC[C@H]2c2ccc(F)cc2)c(=O)c2ccccc12 91548074 DESMOASJQJOARR-SFHVURJKSA-N 351.381 2.818 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccc(F)cc3[nH]1)C2 91270309 YOUJENLGZWQTMM-DZGCQCFKSA-N 370.428 2.731 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CCc3[nH]cnc3C1)O2 95379176 NTZXNFYFRDDJSG-HXUWFJFHSA-N 355.438 2.709 0 50 FFAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1 97578407 OQCJPQBWPGYZBD-GFCCVEGCSA-N 367.380 2.641 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 92066770 LUIFVMLAQKWZPE-QZTJIDSGSA-N 369.509 2.572 0 50 FFAA CN1CC2(CCN(c3nc(CO)cs3)CC2)C[C@@H](c2ccccc2)C1=O 91586660 PHGTZWHADFFWGN-KRWDZBQOSA-N 371.506 2.868 0 50 FFAA CC[C@H](C(=O)N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(OC)cc1 180865148 FNMDBSLJTLIFFJ-AEFFLSMTSA-N 354.454 2.764 0 50 FFAA O=C1NCCN(C(=O)c2ccc3cccc(F)c3n2)[C@@H]1Cc1ccccc1 92081040 RGQRDQYAVHPYDT-GOSISDBHSA-N 363.392 2.557 0 50 FFAA CCCc1ccc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)o1 95386716 QRSZCCZCCUKLOY-MRXNPFEDSA-N 368.485 2.985 0 50 FFAA O=C(C1CC1)N1CCC(N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@@H](O)C2)CC1 244748705 OMXMXSGJHROAAA-ACWOFJMJSA-N 364.436 2.767 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3c2COCC3)c1 244691572 JFDFUMRBIAWOFA-MRXNPFEDSA-N 355.438 2.612 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ncc(C(F)(F)F)cn2)Cc2ccccc2O1 297551591 PIDIYILKSUFVIO-LLVKDONJSA-N 366.343 2.988 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CC3CCOCC3)n2)cc1 534581641 YOUDNENXIFROMB-CYBMUJFWSA-N 374.441 2.874 0 50 FFAA Cc1cnccc1N1CCN(C(=O)NCC(C)(C)N2CCC(C)CC2)CC1 534665399 WXJMPJCHGCGLQH-UHFFFAOYSA-N 373.545 2.732 0 50 FFAA CCOc1cc(Cl)c(CN[C@@H](Cc2ccccc2)C(N)=O)cc1OC 55226934 BLTMLNHTHLXAJL-INIZCTEOSA-N 362.857 2.934 0 50 FFAA Cc1n[nH]c(SCC(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)n1 299790151 AZMDHVRMQFVZMM-LBPRGKRZSA-N 365.890 2.501 0 50 FFAA CCOc1cc(S(=O)(=O)N[C@@H](C)c2nncn2C(C)C)ccc1Cl 670439884 IRCZWBQUDIZWBT-NSHDSACASA-N 372.878 2.951 0 50 FFAA O=C(c1cc2c[nH]nc2s1)N1CCC(O)(Cc2cccc(F)c2)CC1 1875293432 QJSGMNUCLAPLHQ-UHFFFAOYSA-N 359.426 2.973 0 50 FFAA CN1CC[C@@H](NC(=O)N2CCC[C@@H]2Cc2ccc3ccccc3c2)C1=O 1875259789 JCBSYAMIRYSAIX-RTBURBONSA-N 351.450 2.787 0 50 FFAA Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(C)n(-c2ccccc2)n1 1875379412 UGEVNJJCQVJJMZ-UHFFFAOYSA-N 363.830 2.733 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2nc3c(s2)CC(C)(C)CC3)C1 1875371146 QTBMBXKBGRLGOQ-ZDUSSCGKSA-N 361.511 2.699 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(O)(c4ccccc4)CC3)nn(C)c21 1875300189 QGSKBPNWXKSSGO-CABCVRRESA-N 369.465 2.566 0 50 FFAA O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1Cc2nccn2C1 1875306995 SLVNLCQWERMUMP-CQSZACIVSA-N 365.462 2.713 0 50 FFAA CN(C)c1nc2ncnc(NCC3CCN(CC(F)(F)F)CC3)c2s1 1875325933 GLVWTDUROOWLQX-UHFFFAOYSA-N 374.436 2.839 0 50 FFAA CNC(=O)c1ncoc1[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccc(CC(C)C)s1)C2 1875394608 PDMVXEPNLJNVIW-LNSITVRQSA-N 373.478 2.922 0 50 FFAA COC[C@@H]1CCCN1S(=O)(=O)N(C)CCC12CC3CC(CC(C3)C1)C2 952976959 NRCLGYXVYUWPSE-NNGLDNROSA-N 370.559 2.880 0 50 FFAA CCn1ccc(CN2CCC[C@@H](CNC(=O)Cc3ccccc3C)C2)n1 952989604 XRUAJYASSHZJQA-SFHVURJKSA-N 354.498 2.782 0 50 FFAA O=C(CCc1ccncc1)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952986558 JIHSNQQCOXBPJF-UHFFFAOYSA-N 351.410 2.835 0 50 FFAA CC1(C)CCN(S(=O)(=O)N2CCOc3ccc(Cl)cc3C2)CC1 952975394 YZQNRNUFSCQSAC-UHFFFAOYSA-N 358.891 2.901 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(CCc3c(F)cccc3Cl)C2)n1 886091693 LXGBLSPIELCRCP-KRWDZBQOSA-N 353.825 2.783 0 50 FFAA CCC[C@]1(C(=O)O)CN(C(=O)Cc2cccc3ccccc23)CC[C@@H]1O 1529172379 FXCLKQWZMLUPET-RXVVDRJESA-N 355.434 2.847 0 50 FFAA CN(Cc1ccc(Cl)nc1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 1463726080 LFMZCVLVCLRSAU-UHFFFAOYSA-N 358.833 2.742 0 50 FFAA CC(C)c1csc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)n1 1565530250 VOVLJSBENOTGMK-HOCLYGCPSA-N 361.467 2.766 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H](c3ccc(OC)cc3)[C@@H](N(C)C)C2)c1C 1565506880 HDBXOARSSQIEMT-UXHICEINSA-N 370.497 2.780 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 186390938 IXNIKSCUCQCCFB-HNNXBMFYSA-N 366.433 2.893 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)n1)N[C@@H]1CCc2cc(F)ccc21 274744578 ZAYXBLZEPXJJJU-GOSISDBHSA-N 370.428 2.544 0 50 FFAA COc1ccccc1-c1nc(C2CCN([C@@H](C)C(=O)NC3CC3)CC2)no1 276768073 HESPOSWWEXWEEO-ZDUSSCGKSA-N 370.453 2.592 0 50 FFAA O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccnc(-c2cncs2)n1 170617659 DZDKCYYGAMUIEV-UHFFFAOYSA-N 362.418 2.967 0 50 FFAA Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)n3ccc4ccccc4c3=O)C2)c1 279272755 WNBHHSIPAGIDRL-WMZOPIPTSA-N 364.449 2.931 0 50 FFAA Cc1nc(N2CCN(C(=O)c3cc(N4CCCC4)ccn3)CC2)sc1C 189348977 PDIIIWIMZTVRJF-UHFFFAOYSA-N 371.510 2.718 0 50 FFAA COc1cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc32)ccc1F 190635934 HDEXNXWFJARPIC-LBPRGKRZSA-N 351.399 2.679 0 50 FFAA Cc1nc2ccccc2n1[C@H](C)C(=O)Nc1nnc(CCN(C)C)s1 1506401144 CEGLXTPUOFFYMI-LLVKDONJSA-N 358.471 2.500 0 50 FFAA CCCOc1c(CN2C[C@@H]3CNC(=O)C[C@@H]3C2)cc(Cl)cc1OC 1800411494 KPESMNLVAAPEDG-OCCSQVGLSA-N 352.862 2.705 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1704300846 XYJWXLLJMYYLOH-MSOLQXFVSA-N 360.479 2.543 0 50 FFAA CCCc1nc(C(=O)N2CCCN(CCCn3ccnc3)CC2)cs1 1772817680 URAHIZOZTRHSBV-UHFFFAOYSA-N 361.515 2.530 0 50 FFAA COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)[C@@H]2CCOC2)no1 11844227 OVTXTPGAYQRUOH-GFCCVEGCSA-N 366.801 2.777 0 50 FFAA O=C(CS[C@@H]1CCc2ccccc2NC1=O)NC[C@@H](O)c1ccccc1 12406723 VCQCHTGPZIDAIP-QZTJIDSGSA-N 370.474 2.523 0 50 FFAA O=C(Nc1ccnn1C1CCN(Cc2cc[nH]n2)CC1)c1ccccc1 12445768 BZLNHBBJKSVYES-UHFFFAOYSA-N 350.426 2.696 0 50 FFAA COc1ccc(N2C3=[N+](CCCC3)C[C@@]2(O)c2ccc(OC)cc2)cc1 17123645 XNLLARNCCDEAJX-OAQYLSRUSA-N 353.442 2.964 0 50 FFAA OCC1CCN([C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)CC1 19745985 UKAHGJANIRDBDZ-OAQYLSRUSA-N 354.498 2.541 0 50 FFAA Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 19800236 YEQISPWMQCOMEC-INIZCTEOSA-N 356.470 2.511 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](n3cc(-c4noc(C)n4)nn3)C2)c1 169777884 MGJBRJBOYFRJTK-MRXNPFEDSA-N 366.425 2.731 0 50 FFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)Nc1cc(F)cc(F)c1 169760187 RNELVNZEUGXATO-UHFFFAOYSA-N 372.375 2.682 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)cnc3c2)C[C@H](C(C)C)O1 1857715958 PKXJNXUGWKODGK-VQIMIIECSA-N 371.481 2.989 0 50 FFAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C(=O)COCc2ccccc2)CC1 1857716709 POKXZDBGKMPQJX-UHFFFAOYSA-N 367.449 2.514 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3C[C@H]4CO[C@@H](C(C)C)CN4C3)c(C)c2c1 1857720777 JVTGHSNOUVNRAB-YZVOILCLSA-N 371.481 2.712 0 50 FFAA CC(C)c1ccc(CCCC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc1 1857727946 GVPDCNFBHJNIKM-NQIIRXRSSA-N 356.466 2.692 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)ccc1Cl 1857731533 JRGXFFSXMJMUOG-FCEWJHQRSA-N 362.857 2.846 0 50 FFAA CO[C@@H]1CC[C@H](c2nc(-c3c[nH]nc3C)nn2-c2ccccc2F)C[C@H]1N 1857733898 DUJNIFMVLCKRIS-XGWLTEMNSA-N 370.432 2.715 0 50 FFAA COc1cccc2c1CC[C@H]2NC(=O)c1cccc(C(=O)N2CCCC2)n1 122020524 CPLVCBCKEVEPAJ-MRXNPFEDSA-N 365.433 2.744 0 50 FFAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C[C@@H]1n1ccnc1 125459521 BNOGMIUMUZGRCT-DDBAPUKQSA-N 367.449 2.868 0 50 FFAA Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)c(C)n1 248063470 WJOXVBAEEVBNDI-OALUTQOASA-N 350.466 2.830 0 50 FFAA CC(C)(CC(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)Cc1ccc(Cl)cc1 367801491 ISPPUELSQILONS-GOEBONIOSA-N 369.914 2.944 0 50 FFAA CCOCC(=O)N1C[C@H](CNC(=O)C(C2CCC2)C2CCC2)C[C@@H]1C 2325793882 KOCYJUMVXBTIHY-GJZGRUSLSA-N 350.503 2.593 0 50 FFAA N[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 2325857656 KIQJGFYSZYVLGR-HXUWFJFHSA-N 350.397 2.916 0 50 FFAA Cc1ccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1C 879265 BNBTYDFQSZBCKE-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA COc1cc(C(=O)NC(=S)Nc2cccc(C)n2)cc(OC)c1OC 881667 SYTJQIKATBKPIZ-UHFFFAOYSA-N 361.423 2.543 0 50 FFAA O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cc2ccccc2oc1=O 1149018 GYOJDGZWLFDBQN-LJQANCHMSA-N 369.760 2.859 0 50 FFAA O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1 1232830 MLVXVILMXBZRMZ-LLVKDONJSA-N 353.633 2.804 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(O)nc1C 2356149434 ZVVSSIVQTFBVEU-LLVKDONJSA-N 361.348 2.674 0 50 FFAA CCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 2828542 GZTDEGOQYHAHDA-UHFFFAOYSA-N 352.500 2.845 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccccn1 6731749 OMQOCUNEUMNKGQ-UHFFFAOYSA-N 360.830 2.656 0 50 FFAA CCCc1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1 100613821 OAOQDBGVKMWFIX-UHFFFAOYSA-N 370.434 2.710 0 50 FFAA O=C(O[C@@H](c1ncccn1)C1CC1)c1cccc(N2CCCNC2=O)c1 225606769 BUDVOBIIIZDKOQ-MRXNPFEDSA-N 352.394 2.704 0 50 FFAA CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1ccc(Br)cc1 225603385 DJJSWRXPOBMRJY-GRYCIOLGSA-N 371.275 2.953 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9418929 KELPOGCLGVLCHE-OCCSQVGLSA-N 368.359 2.920 0 50 FFAA OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1cccs1 20534496 GCSQNFGZDUAJLS-MRXNPFEDSA-N 360.479 2.546 0 50 FFAA CC(C)C(=O)Nc1nc(CC(=O)N2CCCC[C@H]2c2ncc[nH]2)cs1 116304851 RUJHDWCQIKDYFP-ZDUSSCGKSA-N 361.471 2.757 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)O)n2[C@H](C)c2ccccc2)nn1C 67689180 KZRBQBGURIEDCV-GFCCVEGCSA-N 357.439 2.773 0 50 FFAA Cc1c(C)n(Cc2ccco2)c2ncnc(N3CCC(C(=O)O)CC3)c12 40456197 YQCVZTCUPYHPDI-UHFFFAOYSA-N 354.410 2.990 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)NCC(=O)NC2CCCCC2)n1 151154316 ZTNQRRIFFBSNCX-UHFFFAOYSA-N 355.442 2.751 0 50 FFAA CC(=O)N1CCC(N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)CC1 20514304 VSRDDEYVBZAOKC-SFHVURJKSA-N 370.415 2.960 0 50 FFAA Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 67603497 BFPGFWXKNPKWJN-UHFFFAOYSA-N 358.463 2.596 0 50 FFAA COc1ccc(CCNC(=O)Nc2c3c(nn2C)CSC3)cc1OC 409414895 YEXMRXDOYMTTCV-UHFFFAOYSA-N 362.455 2.548 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N(C)Cc2nncn2C(C)C)c1 67822172 YBPAKALBYGHOAT-UHFFFAOYSA-N 354.414 2.530 0 50 FFAA O=C1CN(Cc2cnc(NCc3ccccc3)nc2)CCN1C1CCCC1 215959861 JYORLNLCRXRWBX-UHFFFAOYSA-N 365.481 2.676 0 50 FFAA Cc1ccccc1-n1cc(CN2CCC(CN3CCN(C)CC3)CC2)cn1 215469858 IRVAIVPUQJWRMH-UHFFFAOYSA-N 367.541 2.640 0 50 FFAA COCCCN1C[C@]2(CCCN(c3ccc(C(C)=O)cn3)C2)CCC1=O 72421656 ITMUVBFUYDWEDT-HXUWFJFHSA-N 359.470 2.530 0 50 FFAA CCN(CC)C(=O)[C@@H](C)N1CCN(Cc2nc(-c3ccccc3)co2)CC1 152897637 GCOWAOABLXMZGV-QGZVFWFLSA-N 370.497 2.716 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1nnc(C(C)(C)C)s1 331016769 ZQFMQLUYFRBPLX-GFCCVEGCSA-N 366.531 2.879 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2nc3cc(F)ccc3o2)n1 328628678 HMFUHXKNFRRPEV-ZDUSSCGKSA-N 371.372 2.579 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)c2ccoc2C)CC1 72481498 OPLVUWNIBUYRNV-UHFFFAOYSA-N 359.378 2.735 0 50 FFAA CCc1ccc(C(=O)N2CCC(OCC3CC3)CC2)cc1S(C)(=O)=O 363145354 MMDOOZIBEZQNCK-UHFFFAOYSA-N 365.495 2.684 0 50 FFAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ncoc1-c1ccccc1Cl 173763096 PTOOYEYIMUYRFT-CYBMUJFWSA-N 361.829 2.588 0 50 FFAA Cc1ccc(-c2cncc(C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)c2)cc1 363949945 OJQGUPKSSDOSMI-LEWJYISDSA-N 365.477 2.728 0 50 FFAA Cc1cc(C(=O)N(C)[C@@H](C)C2CCCCC2)cc(S(N)(=O)=O)c1C 331338261 LJNHPZQQTFOFMW-AWEZNQCLSA-N 352.500 2.992 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1=O 77339303 CPBDYQBBXBELKT-SFHVURJKSA-N 358.825 2.557 0 50 FFAA NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)[C@H]2CCCCO2)c1 126837834 DSKAHANBEGCVQI-LJQANCHMSA-N 367.449 2.686 0 50 FFAA COc1cccc(CN2CCC(c3nccn3C)CC2)c1O[C@H](C)C(=O)O 215193688 DJKJSQVZEBPWMN-CQSZACIVSA-N 373.453 2.660 0 50 FFAA COCCCN1C[C@@]2(CCCN(c3ncncc3C(C)C)C2)CCC1=O 72434390 PZGYJOKLMWYIPR-HXUWFJFHSA-N 360.502 2.846 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1OCc1cccnc1 262710501 PBJKYERPZCJYIK-INIZCTEOSA-N 370.405 2.749 0 50 FFAA O=C(Nc1cccnc1)c1ccc(NC(=O)[C@H]2CC23CCNCC3)cc1 237958103 LQSYXMNTULMDLX-QGZVFWFLSA-N 350.422 2.662 0 50 FFAA Cc1cc2ccccc2n1CCC(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 72133610 HPLCACSPAKRQSJ-HXUWFJFHSA-N 355.438 2.831 0 50 FFAA CC(C)C[C@H](C(=O)NCc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239432900 WVIHTLMRAGABRJ-JFIYKMOQSA-N 372.440 2.808 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4nc(C)no4)C3)[nH]n2)cc1 178104068 BJXJRCFIFSNVFO-CQSZACIVSA-N 367.409 2.797 0 50 FFAA Cc1cc(N2CCN(c3ccc(C(N)=O)cn3)CC2)c2cc(F)ccc2n1 290425935 ADTPFQRZHUMICV-UHFFFAOYSA-N 365.412 2.503 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)c2cccc(-n3cnnc3)c2)CC1 82092782 IPJCSONLYVGSBK-UHFFFAOYSA-N 361.449 2.928 0 50 FFAA O=C(NCCCN1CCOCC1)N(Cc1c(F)cccc1Cl)C1CC1 426388391 JZMQQIRXALWNFX-UHFFFAOYSA-N 369.868 2.875 0 50 FFAA COc1ccc2c(C(=O)N3CCC[C@@H]3c3n[nH]c(C)n3)cc(C)nc2c1 426531026 URPBQLBBRURHLN-QGZVFWFLSA-N 351.410 2.956 0 50 FFAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N3CCOCC3)CC2)C1 96163191 HNWCPDGTRLCBCD-IBGZPJMESA-N 357.498 2.640 0 50 FFAA CC(=O)N1CCCN([C@@H](C(=O)O)c2cc(Cl)ccc2OC(C)C)CC1 95378240 JACJEPFYCXYJKN-QGZVFWFLSA-N 368.861 2.807 0 50 FFAA Cc1noc(C)c1CN1CCC2(CC1)CCN(Cc1ccoc1)C[C@@H]2CO 97681969 KPSFSIFBYQLSHV-LJQANCHMSA-N 373.497 2.981 0 50 FFAA COC(=O)[C@@H](C)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95382632 PJAOBUDVHBAFJU-RCMYXZNBSA-N 356.466 2.576 0 50 FFAA Cc1cccc([C@@H](c2nc(CC(N)=O)nn2C2CCCCC2)N(C)C)c1 96136738 SCTOAITUISCDLI-IBGZPJMESA-N 355.486 2.771 0 50 FFAA COCC(=O)N1CCC(C(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 95365293 CJAFBMUOGMXRDY-FQEVSTJZSA-N 372.509 2.885 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@@H](OCc3cccnc3)C1)CCC2 91820252 YDOKEQRRYQJLCI-QGZVFWFLSA-N 367.449 2.795 0 50 FFAA CSCc1noc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)n1 244795680 RLPPWXMJJFELMX-QGZVFWFLSA-N 358.511 2.608 0 50 FFAA CC(C)[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@H](CN)C1 299739667 RFGFPVNTRPKHEJ-IUODEOHRSA-N 355.276 2.660 0 50 FFAA Nc1nc(CCC(=O)NC[C@H](c2ccccc2F)N2CCCC2)cs1 299763579 XVXLYNLVXXDGJK-MRXNPFEDSA-N 362.474 2.750 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)s1 826588661 IGILHTYSVXJQRX-ZDUSSCGKSA-N 368.455 2.588 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(C(=O)c1c(F)cccc1Cl)CCO2 822529294 BUACNIMTCUQFFD-UHFFFAOYSA-N 368.836 2.723 0 50 FFAA CN1CCN(c2ccc(C(=O)Nc3cccc(-n4cccn4)c3)cc2)CC1 823792700 IIUNMXCWZCLLEL-UHFFFAOYSA-N 361.449 2.876 0 50 FFAA CC(=O)NC1CCC(NC(=O)c2cn(-c3cccc(Cl)c3)cn2)CC1 1875258896 KLDLFLAPCSQWEL-UHFFFAOYSA-N 360.845 2.703 0 50 FFAA C=CC(=O)NCCc1ccc(CNC(=O)C2(C)C[C@@H](C)O[C@H](C)C2)cc1 1875386700 WXIGMZGEVCJPKE-HZPDHXFCSA-N 358.482 2.741 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCc3cc(O)ccc3C2)CC1=O 1875317889 LZWVUFNKQDFZHI-DNVCBOLYSA-N 364.445 2.887 0 50 FFAA C=CC(=O)N(Cc1ccc2nc(OC)sc2c1)Cc1cnnn1CC 1875385827 CILQJAFQSAGFQW-UHFFFAOYSA-N 357.439 2.631 0 50 FFAA C=CC(=O)N(Cc1ccc(Br)c(F)c1)CC1OCCCO1 1875386543 SSOWYJWLUGXSMJ-UHFFFAOYSA-N 358.207 2.866 0 50 FFAA CCCC(=O)NC1CCC(N(C)C(=O)c2cnn(C)c2C(F)(F)F)CC1 1875303218 DUZUCKSRQRMAFG-UHFFFAOYSA-N 374.407 2.738 0 50 FFAA CCc1cc(C(=O)N=c2[nH]nc(-c3cccc(C(F)(F)F)c3)o2)on1 1875354001 NROAEVFLTRZAHL-UHFFFAOYSA-N 352.272 2.980 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)CCc1c(C)nn(C)c1C)OCCO2 952966519 WZIGBJOWPYOWLD-UHFFFAOYSA-N 357.410 2.582 0 50 FFAA O=C1C[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)C2(CCCC2)O1 952868339 KTCNMULBVCDSQK-IBGZPJMESA-N 370.493 2.686 0 50 FFAA O=C(Nc1ccc2scnc2c1)[C@H]1CC(=O)N(Cc2ccncc2)C1 952968597 CLNGPLAHIJXMSR-ZDUSSCGKSA-N 352.419 2.679 0 50 FFAA C[C@H]1CN(c2cc(Cl)ccc2Cl)CCN1C(=O)c1cc[n+]([O-])cc1 888093152 RWVMPMQEBRGKAX-LBPRGKRZSA-N 366.248 2.978 0 50 FFAA CSCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)o1 1565505648 WICNMGKJKFXUJH-ZFWWWQNUSA-N 368.480 2.703 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCCO[C@@H]1c1ccncc1 275551000 OZGFMLQZZKLFDC-ZWKOTPCHSA-N 364.409 2.704 0 50 FFAA COc1ccc(Cn2c(=O)[nH]c3c(Br)csc3c2=O)cc1 95628785 ZWVXWPNJBUJPPN-UHFFFAOYSA-N 367.224 2.571 0 50 FFAA in-vitro Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3noc(C(C)C)n3)nc12 225527097 KDDPHHDKYKJELY-HNNXBMFYSA-N 353.426 2.846 0 50 FFAA COc1cc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc(OC)c1 1529125999 JTVTUWYVQUCQTM-DENIHFKCSA-N 368.477 2.962 0 50 FFAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC[C@@H](C3(O)CC3)C2)CC1 1772811364 TVPGOWDETMAMEG-GOSISDBHSA-N 370.493 2.611 0 50 FFAA CCCCOc1c(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cccc1OC 1772705335 RXSBAAXQQPSURD-UZLBHIALSA-N 363.454 2.797 0 50 FFAA CN(CC1(C)COC1)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772804505 ACIPNMKXAVMFPJ-CQSZACIVSA-N 357.479 2.805 0 50 FFAA O=C1c2ccccc2C(=O)N1c1cccc(S(=O)(=O)N2CCCCC2)c1 5010397 HYKAVKLUJFQKNI-UHFFFAOYSA-N 370.430 2.662 0 50 FFAA COc1ccc(C)cc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 5017686 BBBGCSODVPHGPQ-UHFFFAOYSA-N 370.515 2.566 0 50 FFAA CC(C)CNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 15062797 NBGXYNRBEVZGQF-LJQANCHMSA-N 358.530 2.530 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1 19300754 OOEYDUPMSXTZET-QFIPXVFZSA-N 371.525 2.604 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@H]1C[C@H]12 169619141 VMTVUERGNJQNRB-XGYAJUMLSA-N 354.402 2.660 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC(n3cc(-c4nc(C)no4)nn3)CC2)c1 169777319 MOZYDWYZBZIWJB-UHFFFAOYSA-N 366.425 2.731 0 50 FFAA NC(=O)c1cc(N2CCC[C@]3(C2)C(=O)Nc2ccccc23)nc2ccccc12 1857668508 RMZFSUCFHXPAFT-JOCHJYFZSA-N 372.428 2.824 0 50 FFAA CCN1CCC[C@H]1Cn1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857702905 IDFQKDBYOBHIJI-HNNXBMFYSA-N 352.438 2.885 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(c3ncnc4sc(C)cc34)C[C@]23CC[C@H]1O3 1857717923 FWVDBVUKIHBYGV-NRTGNBEESA-N 372.494 2.510 0 50 FFAA CC(C)N(C)c1cnn([C@H]2CCCN(c3ccnc(C4CC4)n3)C2)c(=O)c1 328969816 UNYCKBJBWAMNHZ-INIZCTEOSA-N 368.485 2.597 0 50 FFAA O=C1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CCN1Cc1cccc(F)c1 150837914 CHHBXYJXVLBRLO-MOPGFXCFSA-N 352.409 2.800 0 50 FFAA Cc1c(C(=O)NC(C)(C)c2cccc(Cl)c2)nnn1C1CCNCC1 159645809 CQYMODJETIZFAK-UHFFFAOYSA-N 361.877 2.830 0 50 FFAA C[C@]1(O)CC2(CCN(C(=O)Nc3ccc4ccccc4c3)CC2)OC[C@@H]1O 1704358249 HSMGRBQUWQUIML-ICSRJNTNSA-N 370.449 2.739 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)cn1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 911670838 KRLYDJOJBFZAJS-RDJZCZTQSA-N 358.369 2.911 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C)CCc3ccccc32)CC1 857932422 SBWGECZMLCSBGE-IBGZPJMESA-N 371.525 2.791 0 50 FFAA Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)c1c(CN)cnn1C 2325760831 PPFKDQZBQIHADV-JTQLQIEISA-N 373.457 2.941 0 50 FFAA CC[C@]1(C)C[C@H]1C(=O)N1CCC(C)(NC(=O)CC2(COC)CC2)CC1 2325793105 FQEPGFIPHJZEMG-MAUKXSAKSA-N 350.503 2.737 0 50 FFAA C[S@](=O)(=NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1)[C@@H]1CC[C@@H](O)C1 2325803453 HUPSMEZAEXTWJS-SFAXROGCSA-N 365.499 2.590 0 50 FFAA Cc1nc2c([nH]1)[C@@H](C(=O)NCc1ccn(-c3c(F)cccc3F)n1)CCC2 2325806269 ADEAEPOCXFYRNG-ZDUSSCGKSA-N 371.391 2.918 0 50 FFAA N[C@H](Cc1ccoc1)C(=O)Nc1ccc2c(c1)ncn2CC(F)(F)F 2325808317 QGFAHQAROLWQCS-GFCCVEGCSA-N 352.316 2.700 0 50 FFAA COC(=O)c1cccc(C2CN(Cc3csc(-c4ccn(C)n4)n3)C2)c1 2325808786 WRIPUQWGDPPRFF-UHFFFAOYSA-N 368.462 2.930 0 50 FFAA Cc1cccc(CN(C)C2CCN(C(=O)c3ccc4cnnn4c3)CC2)c1 2325822199 JBEXQBVNOMQAFV-UHFFFAOYSA-N 363.465 2.774 0 50 FFAA Cc1ccccc1C(=O)N1CCC[C@@H](NC(=O)Cn2c(C)ccc2C)C1 2325870724 MEDJYEHSIRDDJF-GOSISDBHSA-N 353.466 2.834 0 50 FFAA NC(=O)Cc1ccc(NCc2cc(C(=O)O)ccc2Br)cc1 2325871743 XFBMQKXTKALXCB-UHFFFAOYSA-N 363.211 2.787 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(Br)s2)C1 2325888578 HKYKDDUWMWANEX-LLVKDONJSA-N 371.300 2.894 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@H]2C)cc1 2325889966 JPCKWAKAGXXGFQ-CQSZACIVSA-N 363.417 2.818 0 50 FFAA Cc1ccc(CN2C[C@H](C(=O)Nc3cc(O)c(F)cc3F)CC2=O)cc1 909974902 LSZMSPKWGBJFRK-CYBMUJFWSA-N 360.360 2.966 0 50 FFAA COc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 944925 UAZLDUCDCUZZIO-LLVKDONJSA-N 374.462 2.998 0 50 FFAA COc1ccc(C(=O)Cn2c(NCCCO)nc3ccccc32)cc1OC 2352188 IMEDNRUINZMCTK-UHFFFAOYSA-N 369.421 2.731 0 50 FFAA COc1cccc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)n1 2356135008 MDBWRKXEJWIMLW-UHFFFAOYSA-N 374.462 2.914 0 50 FFAA O=C(N[C@H]1CCCCNC1=O)c1ccc(-c2nccc3ncccc23)cc1 2356151292 BTCHUUMOHYFITK-SFHVURJKSA-N 360.417 2.695 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C[C@H]21 2356170914 SSYACSGAFNNKHU-WEYGHZABSA-N 369.509 2.857 0 50 FFAA COc1ccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)c(F)c1 104459623 NEFQWQPUKIZLEX-QGZVFWFLSA-N 368.518 2.599 0 50 FFAA CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1 248197650 LXYKLYJQJNGTMF-IPMKNSEASA-N 355.459 2.937 0 50 FFAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)[nH]1 102867952 LXQCSTUXIOJOFO-ZOFHRBRSSA-N 370.541 2.963 0 50 FFAA CCOc1ccnc(N2CCCN(CCOc3ccccc3F)CC2)n1 135791436 CIAZUEBIFZZUQO-UHFFFAOYSA-N 360.433 2.606 0 50 FFAA NC(=O)Cc1csc(NC(=O)CC2(Cn3cccc3)CCCCC2)n1 409414483 SEQBDYZDFLASBP-UHFFFAOYSA-N 360.483 2.952 0 50 FFAA Cc1cc(C(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)nc2[nH]nc(O)c12 72438985 BCRXUIWUMPYRLP-KGLIPLIRSA-N 357.458 2.545 0 50 FFAA O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCC[C@H]1CCO 67714832 UWBMXAXTKAGCAS-SFHVURJKSA-N 369.465 2.610 0 50 FFAA COC[C@@H]1CN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)CCO1 172626678 OKDVYUQNPDBUTH-KRWDZBQOSA-N 359.397 2.989 0 50 FFAA COC(=O)N[C@@H](C)C(=O)NCc1cccnc1Oc1c(C)cccc1C 67833428 YYBBYMARCVFKDZ-AWEZNQCLSA-N 357.410 2.851 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OC2CCCC2)co1 120532140 IFAGROPZVIXFDN-UHFFFAOYSA-N 364.423 2.761 0 50 FFAA Cc1nn(CCCNC(=O)c2noc3c2CCCC3)cc1Br 2808288 ULOUIIYEMKCSAO-UHFFFAOYSA-N 367.247 2.641 0 50 FFAA Cc1nsc2ncn(CC(=O)N(C)[C@H]3CCCc4ccccc43)c(=O)c12 283098052 RBEYIBYNLMBWBD-HNNXBMFYSA-N 368.462 2.697 0 50 FFAA COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 409414528 LWEWEGHQDGIYGL-APWZRJJASA-N 374.529 2.642 0 50 FFAA Cc1ccc(C)c(CC(=O)NCc2ccccc2CN2CCOCC2)c1 72115435 FOXZYUOTXWIUNG-UHFFFAOYSA-N 352.478 2.995 0 50 FFAA Cc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)c2ccc(F)cc2n1 72419564 PPUFMTYPCSNYRN-UHFFFAOYSA-N 364.424 2.961 0 50 FFAA O=C(N1CCCC1)N1CCC[C@@H](N[C@@H](c2nc[nH]n2)C2CCCCC2)C1 330268898 RLTWRELBQQFPPJ-IAGOWNOFSA-N 360.506 2.696 0 50 FFAA CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 363108136 AHHCDZDWPLAFMJ-GOSISDBHSA-N 359.518 2.698 0 50 FFAA Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 38528317 KIDBPJUNXKYMOJ-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA Cc1csc([C@@H](NC(=O)NC2CCC(C(=O)O)CC2)C(F)(F)F)n1 262986237 CSPHTURXNPNVIO-UDNWOFFPSA-N 365.377 2.998 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72129024 RSIAQVCMFUBTNM-OAQYLSRUSA-N 358.401 2.756 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@](O)(C(F)(F)F)CC1)CO2 287700022 DHLMATRLBUJQJZ-SUMWQHHRSA-N 373.371 2.552 0 50 FFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccc(N2CCCCC2)cc1 219192058 ULRZZCVQMKAHDB-UHFFFAOYSA-N 362.437 2.787 0 50 FFAA O=C([C@@H]1Cc2cc(Cl)ccc2N1)N1CCOc2ccc(CO)cc2C1 216230248 COFZJJDPWOBXED-KRWDZBQOSA-N 358.825 2.590 0 50 FFAA Cc1c(C(=O)N2CCN[C@@H](C)C2)cnn1-c1cccc(C(F)(F)F)c1 237586540 AHNADAXBMRFLGE-NSHDSACASA-N 352.360 2.633 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1C 77375623 OWGDAIXCMMRSEM-CQSZACIVSA-N 358.891 2.718 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCN(c2ncnc3ccccc23)CC1 72430656 NIUBWSJLMVSGGK-FQEVSTJZSA-N 374.444 2.672 0 50 FFAA Cc1nc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)no1 71775837 KXVMNEJJDAVQNX-QGZVFWFLSA-N 360.433 2.776 0 50 FFAA CN1CCCN(C)C2(CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 219650798 QIWPMZPYGDRLKN-UHFFFAOYSA-N 353.869 2.721 0 50 FFAA CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCC[C@H](C)C2)C1 71750177 XUDNPOBAKQVVLX-AWEZNQCLSA-N 351.454 2.680 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[nH]n1 72418252 PQDOZUPIPDCARE-ZDUSSCGKSA-N 351.454 2.811 0 50 FFAA CC(=O)Nc1cc(S(=O)(=O)NC(C)(C)c2ncc(C)s2)ccc1F 175887383 NWLUDTIVORMEIJ-UHFFFAOYSA-N 371.459 2.763 0 50 FFAA Cc1cccc2c(CCC(=O)N3CCOC[C@@H]3[C@H]3CCC[C@@H]3O)c[nH]c12 241124179 JGCWNIDXAHRUPK-QRVBRYPASA-N 356.466 2.797 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C2CC2)c(C)cc1Br 176144575 VGKGUTFBSLCSBY-NEPJUHHUSA-N 372.284 2.917 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCn2c(C)cccc2=O)[C@H](C)C1 82157333 AZUURTWTPWLQFO-GOSISDBHSA-N 353.466 2.593 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCC(N2CCSCC2)CC1 20784494 SMLWQAYYLMUQSK-OAHLLOKOSA-N 365.568 2.826 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)C[C@H]1Cc3ccccc3O1)cn2C 223040648 LLJAOERUQWTBLQ-MRXNPFEDSA-N 362.429 2.923 0 50 FFAA O=C(c1onc2c1CCCC2)N1CCN(c2nc3ccccc3o2)CC1 426491338 BLDXVTMNGMLERS-UHFFFAOYSA-N 352.394 2.657 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426584015 LVCXLOAGRHWJGP-WJPUGNRLSA-N 366.417 2.898 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2cnc3ccnn3c2C)CC1 82083894 RYZZIFUODSLTBL-UHFFFAOYSA-N 366.421 2.730 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3ccnc4ccccc34)C2)n1 426705562 COQKAGVRQPOLCO-CQSZACIVSA-N 364.405 2.536 0 50 FFAA COc1ccccc1OCc1nc(-c2cccc(C(C)=O)c2)n(CCO)n1 96163920 KQZCBXYDIXEYOX-UHFFFAOYSA-N 367.405 2.728 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)c1Cl 180474333 GSGLGHCNDREDEJ-ZDUSSCGKSA-N 351.859 2.601 0 50 FFAA CCC1=NO[C@@H](CNC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1 97402373 DNZNNFNOHDEBMX-QGZVFWFLSA-N 358.442 2.528 0 50 FFAA O=C(NC[C@@H](O)COC1CCCCC1)c1cc(-c2ccc(F)cc2)n[nH]1 92065404 HDNVTGDTLMRPBB-OAHLLOKOSA-N 361.417 2.656 0 50 FFAA CC[C@H](O)Cn1nc(-c2ccco2)nc1CN1CCOc2ccccc2C1 96148118 RFKPNSVZBTUOLQ-INIZCTEOSA-N 368.437 2.704 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@@H](c2ccccc2F)N(C)C)C1 91562784 RTDKXLZEKXHIOV-LJQANCHMSA-N 358.413 2.727 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccc(F)cc1F)C2 91493854 VAGOQOPUAFOEGB-SUMWQHHRSA-N 362.420 2.757 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C2CCSCC2)CC1 91846298 JJIRRKPGUVGOKK-UHFFFAOYSA-N 350.532 2.680 0 50 FFAA COc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1F 95377923 SICSNNFCMMBXJM-GOSISDBHSA-N 359.397 2.944 0 50 FFAA Cc1cccc2c1cc(C(=O)N1C[C@H](CO)[C@H](CN3CCCCC3)C1)n2C 91586691 QEMHDICROUXZGS-QZTJIDSGSA-N 369.509 2.653 0 50 FFAA O=C1CC2(CCN(C(=O)c3ccon3)CC2)CN1CCCc1ccccc1 91830725 ZRKFAGLIYPUPRU-UHFFFAOYSA-N 367.449 2.762 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CC[C@@](C)(O)[C@@H](O)C3)cc(C)c2c1 96161934 HOUIALGGJWNACJ-FXAWDEMLSA-N 374.506 2.678 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 96179722 KNTIVCLOVKBUIY-GOSISDBHSA-N 368.481 2.774 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H](c2cc(O)nc(C3CC3)n2)C1 253535042 GBPBSPGRXNHXJL-OKILXGFUSA-N 356.426 2.659 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)C1(c2ccc(Cl)cc2)CCC1 252488996 JDKDHYAKUDZLQT-HNNXBMFYSA-N 350.890 2.582 0 50 FFAA CCn1c(CN2CCC(c3cccc(O)c3)CC2)nnc1[C@H]1C[C@@H](N)C1 252540324 PCVSKXGMUSTKSX-CALCHBBNSA-N 355.486 2.588 0 50 FFAA Cc1cccc2[nH]nc(-c3ccc(C(=O)NC[C@@](C)(O)CCCO)cc3)c12 534637805 FKGAARWMZCQLOW-NRFANRHFSA-N 367.449 2.792 0 50 FFAA CCN1C[C@H](NC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)CC1=O 534666985 WZIWZDXCOGDMRV-GOSISDBHSA-N 370.428 2.553 0 50 FFAA Cc1c(NC(=O)N2CCC[C@]3(CCN(C)C3)C2)cccc1C(=O)N(C)C 299796214 NJXAHGDFYZRQPS-HXUWFJFHSA-N 358.486 2.646 0 50 FFAA O=C(NCCCc1nnc2ccccn12)c1cc2ccccc2c(=O)s1 828147325 PLXRQWGRAQRGSQ-UHFFFAOYSA-N 364.430 2.667 0 50 FFAA CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1 821319183 MXRVEDAOMBOAQK-UHFFFAOYSA-N 354.406 2.982 0 50 FFAA COCCN(Cc1cccnc1)C(=O)NC[C@H]1CCN(C2CCCCC2)C1 584901038 MSCJMTKWFDPICV-LJQANCHMSA-N 374.529 2.894 0 50 FFAA CCCn1nc(C)c(CNC(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)c1C 584902663 RDTUTRNLQNGLSS-FZKQIMNGSA-N 360.458 2.537 0 50 FFAA COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1F 268935671 GDTXCQKSULLEAG-KRWDZBQOSA-N 357.381 2.805 0 50 FFAA C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1875336311 CKACQNJALRBTIM-BRWVUGGUSA-N 352.519 2.983 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)cc1 1875373906 UEBURHFAHOTEQI-UHFFFAOYSA-N 364.449 2.947 0 50 FFAA CC[C@@]1(C(=O)N2CC[C@](C)(NC(=O)c3scnc3C)C2)CC1(F)F 1875406524 GOVVDIMRRIPKOG-GJZGRUSLSA-N 357.426 2.608 0 50 FFAA COc1cc2ccc(=O)n(Cc3cccc4c3OCCO4)c2cc1OC 1875298895 REPRUOJDGDEKGX-UHFFFAOYSA-N 353.374 2.838 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)CCn2cnc3ccccc32)cc1C 952985460 ASIYIXWFTVLNHB-UHFFFAOYSA-N 366.421 2.958 0 50 FFAA Cc1ccccc1[C@@H](CNC(=O)c1cc(CC(C)C)nc(N)n1)N(C)C 952866515 ALCZIDUSEACOCM-GOSISDBHSA-N 355.486 2.598 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)Nc1cc3nc(C)cc(C)n3n1)C2 1180397885 QLBNIEQAOXTGJD-CQSZACIVSA-N 352.394 2.545 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)c3onc4c3CCCC4)CC[C@@H]21 1565506788 VUFAUXQSGLPUMY-PBHICJAKSA-N 359.470 2.807 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c(C)o1 1565530351 PQZCLNPKPVXDFB-CVEARBPZSA-N 353.422 2.668 0 50 FFAA CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1O 273949520 MOVCOIXMJZZAHE-NEPJUHHUSA-N 366.405 2.518 0 50 FFAA CCn1nc(NC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1C1CC1 278090784 IEDVDZHCYWFHKZ-OAHLLOKOSA-N 371.489 2.613 0 50 FFAA O=C(CCCNC(=O)c1ccccc1)NCc1nc(-c2cccs2)c[nH]1 170597716 OQEQFLNCKWPRAR-UHFFFAOYSA-N 368.462 2.965 0 50 FFAA CNC(=O)[C@@H](NC(=O)CN[C@H](C)c1cc(C)c(F)c(C)c1)c1ccccc1 170591741 IJOFIGOLZXVFAO-QRWLVFNGSA-N 371.456 2.697 0 50 FFAA Cc1ccccc1C1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 171624592 KZTZSOCUWUIXAE-UHFFFAOYSA-N 372.490 2.971 0 50 FFAA COc1cnccc1[C@H](C)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 189674919 LWKYLIYOLATIHG-ZDUSSCGKSA-N 353.422 2.859 0 50 FFAA CCCCn1ncc(C)c1NC(=O)CCc1c(C)nc2ncnn2c1C 1529151753 LYXXEJNRKVEQRO-UHFFFAOYSA-N 355.446 2.617 0 50 FFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1c1cc(Sc2ccc(F)cc2)nc(N)n1 1772712149 IMPRABQTUIARAC-WCQYABFASA-N 373.457 2.549 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)CCn3nc(C)cc3C)no2)cn1 11666794 OCMMBJQULJDOBD-UHFFFAOYSA-N 369.425 2.543 0 50 FFAA CN(C(=O)c1cn(Cc2cccc3ccccc23)nn1)C1CCOCC1 11775222 XLGXEQLFJFYKGQ-UHFFFAOYSA-N 350.422 2.731 0 50 FFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2ccnn2C)C1 11879838 SPQQKZJWCUWIJV-OAQYLSRUSA-N 369.465 2.757 0 50 FFAA COc1cc(NC(=O)COc2ccc(F)cc2)c(OC)cc1NC(C)=O 12379565 ZMXNFBSXCRBNPT-UHFFFAOYSA-N 362.357 2.819 0 50 FFAA Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H]1CCS(=O)(=O)C1 12407505 RPCBLXGITTUCFZ-SNVBAGLBSA-N 370.883 2.689 0 50 FFAA CC[C@@H](Nc1nc2nonc2nc1N1CCSCC1)c1ccncc1 15068247 XXRGHLVNHKDSCE-GFCCVEGCSA-N 357.443 2.524 0 50 FFAA CC(C)CCNc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cn1 15080473 CETKDNYMCFECNN-UHFFFAOYSA-N 368.485 2.682 0 50 FFAA O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(-c2cccs2)on1 15859715 JNTHBTWXSYTYNK-CQSZACIVSA-N 373.434 2.799 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)NC3CCCC3)cs2)no1 16649198 REFROGPGNFSXMV-UHFFFAOYSA-N 355.441 2.518 0 50 FFAA CCn1ncc(NC(=O)Cn2ccc(-c3coc4ccc(OC)cc34)n2)n1 19226608 CKEJCGMEEJFECN-UHFFFAOYSA-N 366.381 2.555 0 50 FFAA O=C(N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl)c1cccs1 19316244 IIFFDZWFGUEOLB-GZMMTYOYSA-N 357.690 2.943 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC12CCOCC2 1857694348 MHRHNQGRZGXTSI-CYBMUJFWSA-N 357.328 2.659 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857697089 UWVHJZOMGKZYNK-IBGZPJMESA-N 373.840 2.568 0 50 FFAA CCC[C@]1(CO)CCN(c2ccc(-c3ccccc3OC)nn2)C[C@H]1O 1875243780 XBTVTLXIZBTIEG-UYAOXDASSA-N 357.454 2.502 0 50 FFAA COCCOc1cccc(CC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 121275273 HZWNGADOZTVFBZ-UHFFFAOYSA-N 366.421 2.987 0 50 FFAA Cc1ccc2nc(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cn2c1 328637474 OQKSDCAKRJGUHG-LAUBAEHRSA-N 366.513 2.891 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3csc(Br)c3)C2)n[nH]1 329410098 BKZOVCRLNVACCM-SECBINFHSA-N 355.261 2.957 0 50 FFAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 253422864 DJFOWDRYHCZTSD-LJQANCHMSA-N 357.498 2.803 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3ccc4c(c3)OCO4)CC2)oc1C 264756391 NFKCQYCBWOSYRO-UHFFFAOYSA-N 371.437 2.662 0 50 FFAA CC(C)[C@H]1OCC[C@@H]1CNc1ncnc2c1c(Br)nn2C 267169165 BRIYOAPRLBYWTK-MWLCHTKSSA-N 354.252 2.599 0 50 FFAA Cc1cccc(C)c1NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 680568 OIIBRYKPFULYFU-UHFFFAOYSA-N 362.393 2.924 0 50 FFAA COc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1OC 12389902 DEIUVYXXAFMCLD-UHFFFAOYSA-N 366.421 2.993 0 50 FFAA CCc1csc(-n2cc(C(=O)N3CCC(n4cc(C)cn4)CC3)cn2)n1 2325711037 JUDDIELLNYSZEU-UHFFFAOYSA-N 370.482 2.873 0 50 FFAA C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)ccc2CN1 2325814022 DUZIRYWWEWOHEG-RYUDHWBXSA-N 351.406 2.693 0 50 FFAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H](CC(=O)O)c1nccs1 2325875874 DMOWENARBIPRJR-CYBMUJFWSA-N 374.397 2.629 0 50 FFAA COc1ccccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 623859 XKSNBHYLEPWWTO-UHFFFAOYSA-N 367.405 2.511 0 50 FFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 640799 IIBCOYGTPYCACM-UHFFFAOYSA-N 362.407 2.623 0 50 FFAA CCOC(=O)[C@@H](C(N)=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 754910 CQJOEYZLAPFYNQ-SFHVURJKSA-N 361.401 2.943 0 50 FFAA Cc1cnn(-c2cc(N3CCC[C@@]4(CCc5cnc(C)nc54)C3)ncn2)c1 2356140281 CDXROLBHEXMVOM-HXUWFJFHSA-N 361.453 2.554 0 50 FFAA O=C1CC[C@H](Cc2nc(-c3ccccn3)nn2-c2ccccc2Cl)N1 2356143637 QOYBTQSOHIWXSS-GFCCVEGCSA-N 353.813 2.804 0 50 FFAA Cn1ccnc1C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356153926 ASOZPTHHOBNUJC-JOCHJYFZSA-N 373.460 2.997 0 50 FFAA CCOc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1OC 2954270 YXRKUSJZEYGAGR-OAHLLOKOSA-N 360.454 2.501 0 50 FFAA Cc1nc(C)c(-c2nnc3n2[C@@H](C)C(=O)N(CCc2ccccc2)C3)o1 2356155418 GGIAAVZHINFTIU-ZDUSSCGKSA-N 351.410 2.696 0 50 FFAA COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3C(=O)OC[C@@H]32)ccc1O 4404408 CAYMSCGTKZIVTN-BIENJYKASA-N 356.374 2.592 0 50 FFAA biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(C)on2)c1 4841759 HOENDUREILNJPB-UHFFFAOYSA-N 351.428 2.574 0 50 FFAA CCOc1ccccc1CNCCSc1nnnn1-c1ccccc1 4993775 OCOYCIVUUGTPJD-UHFFFAOYSA-N 355.467 2.943 0 50 FFAA COC(=O)c1cc(CNC(=O)c2ccc3cc(C)cn3c2)ccc1OC 225796387 GWBDOLYUPUSRMU-UHFFFAOYSA-N 352.390 2.973 0 50 FFAA O[C@H](CN1CCC(c2nnc3ccccn23)CC1)c1cc(F)ccc1F 112337197 BOSOTLDMQYLPRZ-QGZVFWFLSA-N 358.392 2.921 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1I 100199258 CITXLFQALSQCDK-WTTBSCSTSA-N 365.170 2.603 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)c1nccc(N2CC[C@@H](O)C2)n1 108196397 VSMRAEABRVRQNV-CYBMUJFWSA-N 373.507 2.869 0 50 FFAA Cc1ccc(-n2nnc(C(=O)N3CCOC[C@H]3c3ccc(C)o3)c2C)cc1 116703539 FOFXKNRIFOBSMP-KRWDZBQOSA-N 366.421 2.999 0 50 FFAA CCc1c(C)sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C(=O)OC 100631034 GAWNZIMNXARRSY-DJIHRAIXSA-N 363.435 2.867 0 50 FFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C)C1 67974137 JHJIMQODXQRWCK-INIZCTEOSA-N 364.453 2.881 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N(Cc1ccc2c(c1)OCO2)C1CC1 65460139 RQOHBWWOYNIOAI-UHFFFAOYSA-N 366.417 2.787 0 50 FFAA COC(=O)N1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 67820967 FKNMDRHXONRYOF-KRWDZBQOSA-N 372.425 2.613 0 50 FFAA CCn1cc(S(=O)(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)cn1 329235502 IPRNTKGYGWSVCD-CYBMUJFWSA-N 358.467 2.529 0 50 FFAA CCn1cnc(S(=O)(=O)N(C)[C@]2(c3ccccc3)CCCCC2=O)c1 329774404 IOHSLAAMULREBU-SFHVURJKSA-N 361.467 2.562 0 50 FFAA c1ccn2c(C3CCN(c4ncnc5c4ncn5C4CC4)CC3)nnc2c1 330244262 DBLBETKTKUYJKS-UHFFFAOYSA-N 360.425 2.588 0 50 FFAA Cc1csc(CNC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 333211141 UAJQGYLXDUAOQS-IRXDYDNUSA-N 351.516 2.624 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(c3nc4ccccc4s3)C2)n1C 72478832 SIBSWNNHZDSLOM-ZDUSSCGKSA-N 356.499 2.870 0 50 FFAA O=S(=O)(Nc1ncc(CN2C[C@@H]3CCC[C@H](C3)C2)cn1)c1ccccc1 216098004 WUAZKRPDGVCVPE-HZPDHXFCSA-N 372.494 2.899 0 50 FFAA CCOc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cn1 236950966 KQOMNKHAMOLVIQ-UHFFFAOYSA-N 354.406 2.739 0 50 FFAA COc1cc(F)ccc1N1CCN(Cc2nc(-c3ccccn3)no2)CC1 363218117 FTAFXXSLIYSIAC-UHFFFAOYSA-N 369.400 2.602 0 50 FFAA O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 363618219 WHPCNGBUMMLDPO-SNVBAGLBSA-N 370.356 2.800 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1cnn(C[C@@H]3CCCO3)c1)C2 363692641 WMXAFNUAAOTPGW-INIZCTEOSA-N 356.426 2.661 0 50 FFAA Cc1ccc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1 35476246 RDNQQLMGESWSQL-OAHLLOKOSA-N 373.420 2.709 0 50 FFAA Cc1cc(O)ncc1C(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 490257718 QJIBRFVFMHUCGW-MRXNPFEDSA-N 356.422 2.794 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC[C@H]1C[C@]12CCCc1ccccc12 159350657 OGVLXNKXDPAALA-FOIQADDNSA-N 370.522 2.930 0 50 FFAA CCn1nc(C)c(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)c1C 72155874 ONLLUQYBBUZSEI-MRXNPFEDSA-N 355.438 2.923 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)CC[C@@H](C)N1CCN(C)CC1 219010757 ZTIXOFODBNMLOM-MRXNPFEDSA-N 356.514 2.551 0 50 FFAA Cc1nsc(N2CCN(C(=O)Nc3nc(C(C)C)cs3)CC2)n1 175137593 BKORHCYHBKZNDL-UHFFFAOYSA-N 352.489 2.781 0 50 FFAA O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)c1ccccn1 82145728 VFGBVABIHVWAEQ-UHFFFAOYSA-N 353.470 2.747 0 50 FFAA O=C(N1CCC([C@H](O)CCc2ccccc2)CC1)C1(Cn2ccnc2)CC1 223525950 JVUJAFKFDNYYAA-HXUWFJFHSA-N 367.493 2.896 0 50 FFAA O=C(c1c[nH]c2ccc(F)cc2c1=O)N1CCN(c2ccccc2)CC1 44901608 BBAABYHABWCFFG-UHFFFAOYSA-N 351.381 2.630 0 50 FFAA COc1ccc(NC(=O)NCCCc2ccccn2)cc1C(=O)N(C)C 426598817 DXVDXRCFBDYMJJ-UHFFFAOYSA-N 356.426 2.546 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(CCc2ccccn2)cc1 426711469 NQVUHHFAAZUEMV-OALUTQOASA-N 355.438 2.792 0 50 FFAA COc1ccc2c(C)c(C(=O)NCc3cnn4cccnc34)oc2c1OC 426370390 YHRREEKZYKBSRW-UHFFFAOYSA-N 366.377 2.731 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)NCc2nnc(-c3ccccc3)o2)n1 426495616 MVNCGYMEHXHQIC-AWEZNQCLSA-N 368.397 2.865 0 50 FFAA C[C@@H](c1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1)N1CCCCC1 97696271 QLFMKFKQHUTWGA-INIZCTEOSA-N 369.469 2.579 0 50 FFAA O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(c1ccncc1F)CC2 91657348 IKCSGXGQILFKBE-UHFFFAOYSA-N 369.444 2.624 0 50 FFAA COc1cc(CC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C(C)=O)cc1OC 426368146 AGXLRJVMBCPOAV-CQSZACIVSA-N 371.437 2.578 0 50 FFAA CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)ccn1 95390297 XABREOQBEASXRK-QFBILLFUSA-N 368.456 2.999 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2)C1 91486892 DCXIQHJWHVWYCU-KRWDZBQOSA-N 370.453 2.508 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)NCC[C@@H](C)N3CCN(C)CC3)c(C)c2c1 91650158 ZWKURDLHDBYCGZ-MRXNPFEDSA-N 356.514 2.849 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)NCc2c(C)n[nH]c2C)c1 96137684 YEZKEXAFROOHKT-UHFFFAOYSA-N 365.821 2.587 0 50 FFAA CSCCC(=O)N1CCC(c2nccn2Cc2cscn2)CC1 91651372 QYDLPQQDPLWJNV-UHFFFAOYSA-N 350.513 2.847 0 50 FFAA CCOCCOc1ccccc1NC(=O)N1CCN(c2ccncc2)CC1 96138216 HNPIPCNYDSCJPM-UHFFFAOYSA-N 370.453 2.851 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2ccnn2C[C@H]2CC=CCC2)n1 95519233 UBAIALJCYCCGIT-INIZCTEOSA-N 357.462 2.660 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 95518775 SRNRUVNUNNLLNY-INIZCTEOSA-N 357.454 2.828 0 50 FFAA CC(C)Oc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCCCC3)C2)cc1 91441585 XCPIALXRTDBVNK-RTBURBONSA-N 360.498 2.640 0 50 FFAA c1ncn(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C2CC2)n1 91636246 VVGISWWZDMJXOO-UHFFFAOYSA-N 355.490 2.765 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccc(Cl)s1)CC2 91365021 CERNHBIFYDVGQT-UHFFFAOYSA-N 356.875 2.691 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1c[nH]c(=O)c(Cl)c1 91755608 UGTRKMOFPKMUAO-LLVKDONJSA-N 369.812 2.680 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 95529856 KNWVEBXTUVTYTO-QGZVFWFLSA-N 358.461 2.994 0 50 FFAA CC(C)C[C@@H](O)c1nc(Cn2cncn2)nn1Cc1ccc(Cl)cc1 96166022 XIRNOHKHCFINAG-OAHLLOKOSA-N 360.849 2.699 0 50 FFAA O=C(CCC(=O)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1)c1ccccc1 91602783 NPZBCYMGDVESTH-WOJBJXKFSA-N 372.509 2.592 0 50 FFAA Cc1ccc(N2CCCC2=O)c(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)c1 299751695 RIEJYXWZTAAMRT-UHFFFAOYSA-N 370.405 2.994 0 50 FFAA O=C(N[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1)c1ccoc1 263615301 BRIRTVRHIIQILY-QGZVFWFLSA-N 373.416 2.998 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCCc3nc4ccccc4o3)C2)n1 534676056 GKBLOMMRPKFEIF-OAHLLOKOSA-N 353.426 2.840 0 50 FFAA Cc1cc2nc(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)cc(C)n2n1 299758353 LWYBIZPLYJAIQU-OAHLLOKOSA-N 367.428 2.742 0 50 FFAA CCN(C(=O)Nc1cc(NC(=O)COC)ccc1Cl)C1CCOCC1 299765463 HEDFJRYJIKKGHJ-UHFFFAOYSA-N 369.849 2.958 0 50 FFAA CC[C@@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1CCn1ccc(C)n1 670457158 IJTFXSOOQCTVJF-GOSISDBHSA-N 365.481 2.877 0 50 FFAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)C[C@@H]3CCc4ccccc43)C2)cn1 868455830 MKNBZBLTZLLETJ-GVDBMIGSSA-N 367.449 2.557 0 50 FFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC(Cc2ccsc2)C1 1875268351 KSHNSSWOTRTIFU-QGZVFWFLSA-N 358.463 2.716 0 50 FFAA O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@H]1[C@H]1CN(c3ncccn3)C[C@@H]21 1875330303 WOWVPCIQMJKRHU-UBDQQSCGSA-N 352.413 2.603 0 50 FFAA O=C(O)c1ccccc1NNS(=O)(=O)c1cc(Cl)ccc1Cl 951726979 RWSITNZIXRQLFK-UHFFFAOYSA-N 361.206 2.997 0 50 FFAA CSCc1ccc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)o1 1565506767 WYTHMDNCAYRYAO-LIRRHRJNSA-N 373.430 2.846 0 50 FFAA C[C@](O)(CC(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1 272757055 PMSFPARJOWLBKS-YWZLYKJASA-N 355.438 2.951 0 50 FFAA C[C@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)c1ccc2c(c1)OCCO2 172360684 KOPQYIKTDVTQEP-NSHDSACASA-N 368.364 2.929 0 50 FFAA C[C@@H](C(=O)NC1C[C@@H](C)O[C@H](C)C1)n1c(S)nnc1-c1cccs1 225454970 AGMHFLNUWHWRCI-MXWKQRLJSA-N 366.512 2.929 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC1CCN(c2ccc(F)c(F)c2)CC1 1506421522 IWJJEYUFWHLUGW-OALUTQOASA-N 353.457 2.631 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccccc4F)CC3)C[C@@H]2O)on1 1529126360 GPFNPYJXOZOFOM-QRWLVFNGSA-N 359.445 2.626 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529174284 SRCJHPHJQFSSCR-QVKFZJNVSA-N 374.444 2.578 0 50 FFAA CN1CCC(C)(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1529189357 NFXHPKGEBMMODR-XLIONFOSSA-N 367.493 2.640 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@H]1c1ccccc1 1529124910 AMKDMGDPSZJZOB-MSOLQXFVSA-N 358.463 2.741 0 50 FFAA CC(C)c1nnc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)o1 1704300719 VKDDKPZKEQTJOB-CRAIPNDOSA-N 352.438 2.777 0 50 FFAA C[C@@H](C(=O)N1CCCN(C(=O)CCc2ccncc2)CC1)c1ccccc1 1772700926 GOASTGGHHGFIFF-GOSISDBHSA-N 365.477 2.879 0 50 FFAA CC(C)(C)NC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 12302641 WISCZMXBDBZBKL-GOSISDBHSA-N 358.530 2.673 0 50 FFAA Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccccn2)CC1 12323032 SMOKPZNASZMMND-UHFFFAOYSA-N 353.451 2.600 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1Cl 13153661 NPVHVXASPIKGSQ-DTORHVGOSA-N 354.255 2.800 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN([C@H]2CCC(=O)N(CCC(C)C)CC2)C1 14982284 JZLNWIKRNXHVGW-MOPGFXCFSA-N 365.562 2.994 0 50 FFAA Cc1c(C(=O)NC2CCCCC2)sc2ncnc(N3CCN(C)CC3)c12 15003784 YQZXTXLVGZWLGS-UHFFFAOYSA-N 373.526 2.814 0 50 FFAA Nc1nc(SCC(=O)Nc2ccccc2)[nH]c(=O)c1-c1ccccc1 18177698 SMCWIGAHGAUOGF-UHFFFAOYSA-N 352.419 2.750 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772758 PJGQXNJPZGCMLA-CYBMUJFWSA-N 364.405 2.872 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3c(C)noc3C)[C@H]3CC[C@]2(C1)O3 1857725218 NPHXQVSVWIARQO-XKGFGPFHSA-N 373.497 2.857 0 50 FFAA CCOc1cc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1OC 114531738 HWEMYAFPQHSPSE-MRXNPFEDSA-N 358.442 2.874 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3csc(Br)c3)C2)n[nH]1 329410104 BKZOVCRLNVACCM-VIFPVBQESA-N 355.261 2.957 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 237130564 JSUJFWXJSXFZID-STQMWFEESA-N 359.253 2.572 0 50 FFAA Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCOc3ccccc32)C(=O)O)c1 237671448 IHHLYDFQIAYDJX-WMZOPIPTSA-N 353.418 2.921 0 50 FFAA Cc1ccccc1CN1CCC[C@H](n2cc(C(=O)NCC(C)C)nn2)C1 14978827 AHPVHLRKNIOOBG-SFHVURJKSA-N 355.486 2.809 0 50 FFAA O=C(N[C@H]1CCc2ncnn2C1)c1cncc(-c2ccc(Cl)cc2)c1 135519556 XCQKBOGURSRWHM-INIZCTEOSA-N 353.813 2.738 0 50 FFAA CCn1ccc(CN(C)C(=O)NCC2CCN(c3ccncc3)CC2)c1 252481149 CIBJSIJTYQGSNM-UHFFFAOYSA-N 355.486 2.961 0 50 FFAA Cn1cc(NC(=O)N2CCOC3(CCOCC3)CC2)c(-c2ccccc2)n1 372193792 RVVIJHPUSGAYPZ-UHFFFAOYSA-N 370.453 2.891 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 860287901 RGEDAFPBYFEMIS-JTQLQIEISA-N 361.389 2.512 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 238009786 AWKCXMLYRSFZAT-OALUTQOASA-N 352.434 2.841 0 50 FFAA CC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 100053610 VDIZIYFCLMTVGZ-DOTOQJQBSA-N 367.792 2.663 0 50 FFAA CC(=O)OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 4031749 VVVDZFPZRGHMFD-UHFFFAOYSA-N 366.417 2.989 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cccc(O)n3)C2=O)cc1 2100547405 JADQSORKFLLWJW-NRFANRHFSA-N 365.433 2.897 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N3CCCC[C@@H]3CCCN)cc2s1 2325788907 QTKGZJSYQOMYIG-CYBMUJFWSA-N 353.513 2.887 0 50 FFAA CCO[C@H](C(=O)NC[C@@H](C)NC(=O)c1ccc(C(F)F)cc1F)C1CC1 2325793868 KGWZBCOZPZFIPP-BMIGLBTASA-N 372.387 2.813 0 50 FFAA O=C(Cc1cc(O)cc(Br)c1)NCc1cc(C2CC2)on1 2325800787 FNMYQSAEHHIMFJ-UHFFFAOYSA-N 351.200 2.879 0 50 FFAA CN1CCC[C@@H](NS(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 2325879851 JZDYKIQZYGRXOZ-CQSZACIVSA-N 351.497 2.573 0 50 FFAA C=CC(=O)Nc1ccc(CCC(=O)Nc2ccnn2[C@H]2CCOC2)cc1 2325894317 PEBSBJYFLJFWCX-INIZCTEOSA-N 354.410 2.540 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 779555 QKCYZJQVCNYBAD-UHFFFAOYSA-N 364.511 2.798 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 789559 IHKKFJDJHKZOFK-UHFFFAOYSA-N 364.511 2.845 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)n1 2356158346 IBCMHLVUFWMAOP-FICVDOATSA-N 371.437 2.582 0 50 FFAA COc1cccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c1OC 4512714 IQOAEQCJFNQPDM-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA COc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)cc1 100613766 RQRLHHLEXDRNSK-UHFFFAOYSA-N 350.374 2.914 0 50 FFAA CN(Cc1nnc2ccccn12)C(=O)Cc1ccc(Br)cc1 116408661 VSWFJXLCFRAORM-UHFFFAOYSA-N 359.227 2.693 0 50 FFAA C[C@@H](Cn1cncn1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 55060847 SEUCBRXKIZDZPZ-HNNXBMFYSA-N 355.442 2.569 0 50 FFAA CS(=O)(=O)c1ccc(CN2CCCN(C3CCCCC3)CC2)cc1 67649923 FUIBTRMLBMKDSW-UHFFFAOYSA-N 350.528 2.931 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc(C(C)C)no2)C1 65499250 MESFHJRIUKILCH-MRXNPFEDSA-N 372.469 2.697 0 50 FFAA Cc1noc([C@H](C)N(C)C(=O)c2cc(COc3cccc(F)c3)[nH]n2)n1 67675272 IBKKZIGAXQQWNH-JTQLQIEISA-N 359.361 2.652 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(NC(C)=O)ccc1Cl 65382524 DRDCYOIBBOHYKR-MRXNPFEDSA-N 365.861 2.771 0 50 FFAA Cc1nc(C)c(S(=O)(=O)NC(=O)[C@@H](C)OC2CCCCCC2)s1 121743117 WACZVCHKSAOMFN-LLVKDONJSA-N 360.501 2.693 0 50 FFAA CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc2cc(F)ccc2[nH]1 152859937 HKLNPYMTLTYEQO-UHFFFAOYSA-N 354.385 2.720 0 50 FFAA CCc1nn(C)c(OC)c1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328625866 DOVAJPULYHRSGT-LLVKDONJSA-N 371.407 2.559 0 50 FFAA Cc1oc(-c2ccco2)nc1CN1CCNC(=O)[C@@H]1Cc1ccccc1 39420561 HLGZPCRRLTYTEQ-KRWDZBQOSA-N 351.406 2.786 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(Cc2cnc(C3CC3)s2)CC1 328653550 WXHKAWXHHXQMFU-OAHLLOKOSA-N 372.542 2.879 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)C1 365626678 XWVIPQYXAQZKSV-IBGZPJMESA-N 354.491 2.502 0 50 FFAA CCCN(C)C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1 173807943 CJIGVFYQFPQAGU-HNNXBMFYSA-N 369.513 2.958 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 332469384 RJKXJEOVZSLGHU-CVEARBPZSA-N 368.499 2.724 0 50 FFAA O=C(c1cc2c(nc1O)CCCC2)N1CCNC[C@@H]1c1cccc(F)c1 261938246 KFKKBQGGEDXCQS-GOSISDBHSA-N 355.413 2.592 0 50 FFAA CCN1CCN(C2CCN(C(=O)c3cccc([C@@H]4CCOC4)c3)CC2)C1=O 378308500 DJJUFFDRQSNUJG-GOSISDBHSA-N 371.481 2.553 0 50 FFAA Cc1cnn([C@H](C)C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1 72448421 UKTMPFMFIBMDTH-CQSZACIVSA-N 355.467 2.711 0 50 FFAA C[C@@H](CO)N1CCCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 375486075 RTUOKCHTMYLXMS-QWHCGFSZSA-N 374.312 2.709 0 50 FFAA O=C(c1cnc2n(c1=O)CCS2)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 376075440 WRDQJXRRFZXUNN-UAGQMJEPSA-N 367.474 2.757 0 50 FFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CCO[C@@H](CC(=O)O)C2)cc1 262830675 SAEGNXLQXMVVFA-INIZCTEOSA-N 367.401 2.542 0 50 FFAA CC1=C(C)C[C@@H](C(=O)Nc2sc(C)c(C)c2C(N)=O)[C@H](C(=O)O)C1 17072720 CXJGDABQUUDLPG-VXGBXAGGSA-N 350.440 2.850 0 50 FFAA O=C(Cn1ncc(N2CCCCC2)c(Cl)c1=O)Nc1ccc(F)cc1 72117427 LDHFNDRFRGQTIU-UHFFFAOYSA-N 364.808 2.665 0 50 FFAA CN(C)C(=O)c1noc2c1CN(Cc1ccc(CCC(C)(C)O)cc1)CC2 72422889 OSFAJXCVCVTTFX-UHFFFAOYSA-N 371.481 2.638 0 50 FFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccccc2)n1 49547394 SMWLOXSXAWJYKM-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)sc1CC(N)=O 240569329 GZPUDEOJMIKJOG-JLLWLGSASA-N 355.529 2.655 0 50 FFAA CN[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)C1 133740898 KOJCOYUFPHFZKU-MRXNPFEDSA-N 357.502 2.772 0 50 FFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)c12 263495951 XTVIPLYFXLLBLI-NEPJUHHUSA-N 366.421 2.783 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(=O)[nH]c(S)nc3c2)C12CCC2 160541591 OROIFRRWOUFPOM-HUUCEWRRSA-N 373.478 2.632 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2cn3cc(C)ccc3n2)c1C 221309047 GOHINJFFMUOLBV-CYBMUJFWSA-N 367.453 2.926 0 50 FFAA COc1ccc2c(c1)[C@@H](C)N(C(=O)NCc1cn3nc(C)sc3n1)CC2 426722657 PXKOPHYWTCBHGJ-LLVKDONJSA-N 371.466 2.937 0 50 FFAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCC(c2ncn[nH]2)CC1 221432366 KESJFNLKNXKAMP-OAHLLOKOSA-N 368.359 2.831 0 50 FFAA Cc1ccc2nc(COCC(=O)N3CCC[C@@H](c4nccn4C)C3)[nH]c2c1 82108483 MQMKMNZRDVPQOX-OAHLLOKOSA-N 367.453 2.528 0 50 FFAA Cc1nc(O)cc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 223549513 CUUYVQKVAVBWPC-UHFFFAOYSA-N 350.422 2.823 0 50 FFAA Cc1cc(C)n(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 223302447 PZUUZNRPZKLYQM-IAYYMHMVSA-N 364.449 2.677 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91677913 WIHBXBAFGBMSNJ-NRFANRHFSA-N 372.513 2.613 0 50 FFAA Cc1ccc2nc(C(=O)N3CC[C@@]4(CCCN(C(C)C)C4=O)C3)c(F)n2c1 91965278 WPIUSXBDMIHYGJ-FQEVSTJZSA-N 372.444 2.645 0 50 FFAA Cc1ccc(CN(Cc2ccccn2)C(=O)Cn2ccccc2=O)s1 97674321 RIMQOVWRKCMDGC-UHFFFAOYSA-N 353.447 2.842 0 50 FFAA Nc1ncc(C(=O)NC[C@H]2COc3ccccc3C2)c(-c2ccccc2)n1 95517242 MPROMKTXALMEQX-AWEZNQCLSA-N 360.417 2.707 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc4nccn4c3)[C@H](C)C2=O)c1 92078039 MTMDJMOGLRSEQK-MRXNPFEDSA-N 362.433 2.516 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)CCn2cc(C)cn2)C3)c1 96148025 TYIZCUYIKYXKJH-UHFFFAOYSA-N 365.437 2.565 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCn1nc(C)c(Cl)c1C)C2 91997107 UIOUGMDPRCLINU-AWEZNQCLSA-N 363.845 2.529 0 50 FFAA CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 295708491 YHNIODVEJWPILA-HNNXBMFYSA-N 360.845 2.593 0 50 FFAA Cc1nc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)c2sccc2n1 91914670 OAIYPDGUDPIOES-UHFFFAOYSA-N 374.510 2.591 0 50 FFAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)[C@@H]1C=CCN1 95497707 HPSYJKRZWFXOBS-NRFANRHFSA-N 355.526 2.626 0 50 FFAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2Cl)C1 244647070 GUPPPOURBFDRFA-MGCOHNPYSA-N 369.252 2.773 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCO1 299744501 OYSJFBJINICCKL-LBPRGKRZSA-N 351.811 2.994 0 50 FFAA Cc1ccc2cc(CN3CCC[C@@H]3C)c(N3CCN(CCO)CC3)nc2c1 252479826 BNHLQGHDLDQBSL-SFHVURJKSA-N 368.525 2.642 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cn2cc(Cl)ccc2n1 252551049 TWAMHBARURDFQS-BNLOLNQZSA-N 356.813 2.625 0 50 FFAA Cc1ccccc1Cn1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 102023661 CDDMGOFJLGDXKI-ZZCKCESHSA-N 351.406 2.701 0 50 FFAA CSCCN1CCC(NC(=O)Nc2ccc(-n3cccn3)cc2)CC1 299765527 NXZYLMIWRDQBKS-UHFFFAOYSA-N 359.499 2.821 0 50 FFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)Nc1ccc2cc[nH]c2c1 71375491 IPXBJFIRLMZPAM-HLLBOEOZSA-N 358.467 2.832 0 50 FFAA biogenic CC(C)c1nccc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)n1 299783364 ZZSMRPVGICQLOE-UHFFFAOYSA-N 352.482 2.993 0 50 FFAA CC(C)(C)N1CC[C@@H](CNC(=O)N2CCC(OCc3ccccn3)CC2)C1 584891044 SLGCJGFJLHCYDF-KRWDZBQOSA-N 374.529 2.893 0 50 FFAA c1ccc2c(c1)[nH]c(=Nc1ccc(Cc3ccncc3)cc1)c1nnnn12 1875338526 AKBHEIQXEOXRLH-UHFFFAOYSA-N 353.389 2.824 0 50 FFAA COC[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1cnn(C)c1 1875348965 IMXOLXOWCAZBJU-HNNXBMFYSA-N 359.817 2.581 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1OCc1ccccc1)C2 75935229 PKVIGUAYJKTZNG-MSOLQXFVSA-N 364.445 2.958 0 50 FFAA CCCc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)co1 273508018 NBJKNGDKVFHDDR-KRWDZBQOSA-N 361.417 2.570 0 50 FFAA Cn1c(CN2CCC[C@H](Cn3ccnn3)C2)nnc1-c1ccc(Cl)cc1 186408806 HBYZHPQIIVTTJY-AWEZNQCLSA-N 371.876 2.639 0 50 FFAA C[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1cccnc1 275742790 VODKKKNLYMJXTP-SJLPKXTDSA-N 366.465 2.860 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc3c2=O)cs1 186999418 DPGOPGVQCBPPED-KRWDZBQOSA-N 368.462 2.915 0 50 FFAA CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@H](c2cnn(C)c2)C1 187004821 GYZFPTQRHMGKFC-ZDUSSCGKSA-N 367.902 2.857 0 50 FFAA Cc1cc(C)nc(NS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 170609285 CMYBZZNYZDQLSG-UHFFFAOYSA-N 361.345 2.934 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc(O)n1 1506399149 KSCQQXBAEACDBL-KRWDZBQOSA-N 359.401 2.734 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)CCCn1nc(C)cc1C 1506409397 WZEHNJIWXWEPCT-UHFFFAOYSA-N 365.499 2.836 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCc2cccc(C)c2C)OCC(=O)N1C 1529173580 MMBYPHUYAMFNSM-RTWAWAEBSA-N 366.461 2.827 0 50 FFAA COc1c(C)cc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1C 1529133597 QSRPHFOYBBFFQO-RTBURBONSA-N 355.434 2.887 0 50 FFAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2ccc3c(c2)OCO3)C1(C)C 210202381 GUTQPYHMUKXDHP-VBKZILBWSA-N 360.454 2.610 0 50 FFAA CC(C)CN1CCN(c2noc(-c3ccccc3)c2C(=O)O)C[C@H]1CCO 1704311291 CUGLYIOFJNNZOU-MRXNPFEDSA-N 373.453 2.569 0 50 FFAA O[C@H]1CN(CCn2cc(Cl)cn2)C[C@H]1Cc1ccnc2ccccc12 1704339095 BZPPAXFFEVWCAO-BEFAXECRSA-N 356.857 2.620 0 50 FFAA Cc1nc[nH]c1CN(CCO)C(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 1704336320 FZPFUASJUUGEJV-UHFFFAOYSA-N 354.454 2.688 0 50 FFAA CCc1ccc(N2C(=O)/C(=C/c3ccco3)N(CC(=O)OC)C2=S)cc1 1129530 QJAHNJXSSPVILI-WJDWOHSUSA-N 370.430 2.990 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1cc(CN2CCCC2)cs1 1772701484 PIDPEWPBJAQWDB-UHFFFAOYSA-N 361.559 2.939 0 50 FFAA CCSc1ncc(CN2CCCN(C(=O)c3ccc(C)nc3)CC2)cn1 1772812114 AVCMDEZCRHGVBX-UHFFFAOYSA-N 371.510 2.640 0 50 FFAA CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388209 GGDFLNHOMJJCEQ-UHFFFAOYSA-N 362.389 2.507 0 50 FFAA O=C(Nc1ccnn1C1CCN(C2CSCCSC2)CC1)C1CC1 12588627 RFUJPPHFECGLMB-UHFFFAOYSA-N 366.556 2.717 0 50 FFAA CC(C)CCN[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14540026 WVWXHPOIUWCCPE-CQSZACIVSA-N 360.527 2.905 0 50 FFAA CCOc1ccc(-n2nnc(C(=O)Nc3cccc(C(C)=O)c3)c2N)cc1 16652360 MVRKTUGNWQVYFV-UHFFFAOYSA-N 365.393 2.703 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)NCCCSc2ccccc2)cc1 16730081 PHNRUWKRMJHPLA-UHFFFAOYSA-N 364.492 2.507 0 50 FFAA Cc1noc(C)c1CN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1 169751122 IWQRSAPHABQUDJ-UHFFFAOYSA-N 353.426 2.516 0 50 FFAA C[C@@H]1CCc2nn3ccn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3c2C1 169779614 NGYMBSNCJYJRAV-GFCCVEGCSA-N 370.840 2.913 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)CCc2c(C)nc(=O)[nH]c2C)c1 153973542 KLZWRJQXMKEWAE-GOSISDBHSA-N 355.438 2.692 0 50 FFAA O=C(c1cc2c(nc1O)CCCC2)N1CCc2[nH]nc(C3CC3)c2CC1 1857708773 MQOOVIYQLKAHON-UHFFFAOYSA-N 352.438 2.508 0 50 FFAA COc1cc(C)ccc1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857710561 DIVQIPPMVLIVED-JZJXAQOMSA-N 370.493 2.623 0 50 FFAA Cc1nn(-c2ccccc2)cc1CN1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857727801 AFIWBDCVWSWATP-DXBBTUNJSA-N 366.509 2.722 0 50 FFAA O=C1CN(Cc2ccn(-c3ccccc3)n2)CCN1Cc1cccc(F)c1 125897185 GFYIUXFQLAXOGL-UHFFFAOYSA-N 364.424 2.856 0 50 FFAA COC[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 265786063 GFLYKJZOGLPTIE-INIZCTEOSA-N 365.905 2.982 0 50 FFAA CC(C)Cc1ccc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)s1 1704328023 WDDNLPXHXSUWEA-ZWKOTPCHSA-N 353.528 2.813 0 50 FFAA CCC[C@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)O 836756399 HCOCWWAPESDKBG-CVEARBPZSA-N 360.454 2.664 0 50 FFAA Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N(C)[C@H](C)c1cccc(O)c1 2325807360 UIFOXINGMOQOPF-CQSZACIVSA-N 365.437 2.951 0 50 FFAA O=C(Nc1cnn2cccnc12)N1CCc2ccc(OC(F)F)cc2C1 2325818731 UVKRSQGZWJRSDP-UHFFFAOYSA-N 359.336 2.921 0 50 FFAA Cc1ccccc1C(=O)N1CCC[C@H](NC(=O)Cn2c(C)ccc2C)C1 2325870725 MEDJYEHSIRDDJF-SFHVURJKSA-N 353.466 2.834 0 50 FFAA O=C(CCn1ccc(O)nc1=O)Nc1ccccc1/C=C/C(F)(F)F 2325877203 MJSREQGVIRAAOQ-VMPITWQZSA-N 353.300 2.553 0 50 FFAA Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 1049084 KXTZTICITJASQY-GOSISDBHSA-N 363.461 2.697 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1ccccc1 1147853 PNWKOZMLZXULMB-UHFFFAOYSA-N 358.419 2.784 0 50 FFAA O=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc2N1 1150975 SHBPBDJINRKBIM-UHFFFAOYSA-N 367.224 2.597 0 50 FFAA O=C(CCn1c(O)nc2ccccc21)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356146056 PHHKLXPYBAGKDX-QFBILLFUSA-N 365.433 2.509 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 2855562 YZFMRJXHYVRLEA-UHFFFAOYSA-N 367.448 2.761 0 50 FFAA O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 2880709 PCZRIWQYMATSJL-INIZCTEOSA-N 354.362 2.755 0 50 FFAA Cc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3F)CC2)C1=O 3570813 XBWDTPUGZNZNOJ-IBGZPJMESA-N 367.424 2.588 0 50 FFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)no1 6680733 SRMRDOIIHIVWFJ-UHFFFAOYSA-N 369.468 2.862 0 50 FFAA COC[C@H](C)N(Cc1ccc(OC)c(OC)c1)C(=O)Cc1cccnc1 55404054 TWEORHTYRDXTHP-HNNXBMFYSA-N 358.438 2.705 0 50 FFAA CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1 54253996 FDMIJPRPTMPGBX-IBGZPJMESA-N 366.417 2.645 0 50 FFAA O=C(c1ccc(OCc2ccccc2)nc1)N1CC[C@](O)(C(F)(F)F)C1 172624582 NWSHVPWZWAMYSB-QGZVFWFLSA-N 366.339 2.800 0 50 FFAA C[C@@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)n1cncn1 67805220 HKMYYDHPYPKWQD-AWEZNQCLSA-N 350.426 2.635 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1F)c1cc(=O)c(O)co1 67725277 NRBGYIZHLAAXJU-UHFFFAOYSA-N 356.309 2.602 0 50 FFAA NC(=O)c1ccc(NC(=O)c2cccc(OCC(F)(F)F)n2)cc1F 151338828 FCPIXUZJKGPKOD-UHFFFAOYSA-N 357.263 2.513 0 50 FFAA CCOCC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3ccoc3)n2)C1 23542234 ZSSWJGRHMGKODS-UHFFFAOYSA-N 368.393 2.621 0 50 FFAA Cc1nc(N2CCN(C[C@@H]3CCCO3)CC2)nc2cc3c(cc12)CCC3 67605249 UCPQKYIKZANTGV-SFHVURJKSA-N 352.482 2.728 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1ccnc1 12305358 COMCUGFWYABRQR-IBGZPJMESA-N 372.488 2.825 0 50 FFAA O=C1CN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@@H]2CCCC[C@H]2N1 332181816 VVNWNUQLOIIDOA-ZIAGYGMSSA-N 357.788 2.571 0 50 FFAA C[C@H](Cc1cccnc1)NC(=O)c1cn(Cc2ccccc2Cl)nn1 12434779 MTXBGLBTCREUEH-CYBMUJFWSA-N 355.829 2.736 0 50 FFAA CCc1nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2)c2ccsc2n1 328609060 CDRVBYNIBYMTHT-MEDUHNTESA-N 370.482 2.619 0 50 FFAA COc1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=S)c(OC)c1 2788945 NMPJNVIHELIQKO-MRXNPFEDSA-N 354.431 2.762 0 50 FFAA CCn1nccc1CN(C)S(=O)(=O)c1ccc(Br)s1 2803622 YGLJIEXZUXBVLH-UHFFFAOYSA-N 364.290 2.548 0 50 FFAA COc1ccc(CN(C)[C@H](C)Cc2ccccn2)cc1Cn1cncn1 216310772 FSWIIHMGGAGVEP-MRXNPFEDSA-N 351.454 2.793 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)[C@H]3CC=CCC3)CC2)c(C)n1 72475533 APIJGMVRIVPGRQ-INIZCTEOSA-N 358.438 2.879 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)[C@@H]3CC4(CCNCC4)CN3)CCCC2)c1 72159142 HWXZMDIUVJIMNK-FQEVSTJZSA-N 369.553 2.963 0 50 FFAA COc1ccc([C@@H]2CN(Cc3cccnc3N)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71750914 ZMYPMUBJZIQNFU-PWRODBHTSA-N 364.493 2.735 0 50 FFAA c1cn(Cc2nc3c(s2)CCCC3)c(-c2cc3n(n2)CCCNC3)n1 72475440 XQARJKAPRMTTJK-UHFFFAOYSA-N 354.483 2.624 0 50 FFAA O=C([C@@H]1CCCCN1C(=O)c1ccco1)N1CCOc2ccccc2C1 363925410 QVLVQBFHLJQITI-INIZCTEOSA-N 354.406 2.696 0 50 FFAA CCCCc1cc(NC(=O)Nc2cccc(-c3ccc(O)nn3)c2)n[nH]1 370091703 KQJNOBVHMSKPFC-UHFFFAOYSA-N 352.398 3.559 0 50 FFAA CCCCc1nc(Cl)c(CN2CCCO[C@H](Cn3cccn3)C2)[nH]1 215761513 GZYHLRWTMQAENQ-AWEZNQCLSA-N 351.882 2.893 0 50 FFAA Fc1ccccc1-c1cc(NCCSc2ncn[nH]2)n2nccc2n1 72133571 YLNZKJDMCIQJOW-UHFFFAOYSA-N 355.402 2.858 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 237955209 REZSKHYSWVEUOC-HNNXBMFYSA-N 363.429 2.977 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC(CN2CCOCC2)CC1 77439048 AUFXADZUYBYDGW-UHFFFAOYSA-N 371.525 2.861 0 50 FFAA COc1ccc(Nc2nc(C(=O)N3CC[C@@](O)(C(F)F)C3)cs2)cc1 452675768 AYRFBDYRTPRUQO-INIZCTEOSA-N 369.393 2.737 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1C 77288105 ZAWWALOEGOXZIA-NRFANRHFSA-N 372.513 2.856 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)c(C)s1 72133238 IHXNKOLCTCDVRA-MRXNPFEDSA-N 365.524 2.703 0 50 FFAA Cn1cc(CN2CCC(C(=O)O)(n3ccnc3)CC2)c2ccc(F)cc21 72432292 PDRYGRMEAOTEMX-UHFFFAOYSA-N 356.401 2.590 0 50 FFAA CCc1ccc2occ(CC(=O)N3CCc4c(nc(C)[nH]c4=O)C3)c2c1 71589683 XERDKWATFTYTFU-UHFFFAOYSA-N 351.406 2.514 0 50 FFAA Cc1nn(C)c2ncc(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)cc12 176297393 YAQHXMCBWFSECE-OAHLLOKOSA-N 369.856 2.939 0 50 FFAA O=C(c1ccc([C@H]2CCNC2)cc1)N1CCN(Cc2cccc(F)c2)CC1 72439404 MBGCMDKSIOOTER-FQEVSTJZSA-N 367.468 2.861 0 50 FFAA COc1ccc2c(CC(=O)N[C@@H]3CCc4nnc(C(C)C)n4C3)coc2c1 195254660 ABXONUUBIQPGEQ-CQSZACIVSA-N 368.437 2.830 0 50 FFAA COCCN1CC[C@H](CNC(=O)N(Cc2ccncc2)C2CCCCC2)C1 426544388 NFPLTQWHYOXMAP-LJQANCHMSA-N 374.529 2.894 0 50 FFAA CC(C)(CN1CCCC1)NC(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 426613706 ZNQXCIDTCDYQIT-FQEVSTJZSA-N 373.541 2.886 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 239378286 ONNGITMBXUSJLM-WRFANHODSA-N 360.841 2.512 0 50 FFAA COc1cc(C)ccc1OCCSc1nnc([C@H]2CCCNC2)n1C 426494434 NMUKZFDYZQVQQF-AWEZNQCLSA-N 362.499 2.770 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1 92065486 WYPNMSQIWYORHH-UHFFFAOYSA-N 368.481 2.667 0 50 FFAA CC(C)=CCN1CCC2(CCN(Cc3cnc(C)n3C)CC2)[C@@H](CO)C1 97447054 WJEGYTOXZOWSKB-LJQANCHMSA-N 360.546 2.591 0 50 FFAA Nc1nc(CCC(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cs1 97463630 NQXFHWZETKSIFD-AWEZNQCLSA-N 362.474 2.578 0 50 FFAA CC(C)N1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 91725519 ACPVDIMXQYLDPY-MRXNPFEDSA-N 370.497 2.532 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cnc(-c2cccnc2)nc1 95366994 SFYMQUZSGRFOGY-UHFFFAOYSA-N 366.450 2.525 0 50 FFAA CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(OC)cc2)C3)n1 91895899 BRBBNLLDLUEXMO-ZWKOTPCHSA-N 368.481 2.648 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)[nH]n1 91656255 FEVSQRIKABBAJK-QGZVFWFLSA-N 366.465 2.586 0 50 FFAA Cc1cnc(CN2C[C@]3(CCCN(Cc4ccncc4)C3)CCC2=O)cn1 91325331 VRVUDFVZMOUNDI-OAQYLSRUSA-N 365.481 2.585 0 50 FFAA CC(C)(C)c1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)n[nH]1 92020492 AAASYMFLOQTDLN-XJKSGUPXSA-N 373.526 2.787 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 95386063 KBAUIOPYNGSFAO-CQSZACIVSA-N 361.446 2.712 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@@H](Cn2ccnc2)C1 95369106 SIKKNJHZARWKIA-INIZCTEOSA-N 362.437 2.596 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N1CC(Oc3cccc(C)c3)C1)CC(=O)N2 91416438 PWQNRRRMBUCNGC-SFHVURJKSA-N 366.417 2.719 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C(=O)O 91794448 MHTSMENTKOGAGY-LSDHHAIUSA-N 361.344 2.914 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2cc(CC(C)C)no2)n1 91782262 RXMUBGQVCHQNNL-CQSZACIVSA-N 362.430 2.812 0 50 FFAA O=C(c1cncc(F)c1)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 95355429 XTTJJHMCMMEANV-INIZCTEOSA-N 365.412 2.880 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(CN2CCCC2=O)c1 299751145 PRRZSSBNXHOCGO-JQHSSLGASA-N 370.449 2.667 0 50 FFAA Cc1ccccc1CN(CCO)C(=O)N[C@@H](C)c1nc(CC(C)C)no1 534639520 ARIRRBREJGNRFD-HNNXBMFYSA-N 360.458 2.842 0 50 FFAA N[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)[C@H]1O 72121660 ZTRGDDKKRRXVFH-UXHICEINSA-N 361.445 2.716 0 50 FFAA C[C@H]1C[C@@H](C)CN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccncc2)C1 822355270 YGIQOWHFFXBHLD-SCRDCRAPSA-N 353.426 2.534 0 50 FFAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1nnc2n1CCC2 827802369 CXVALBDZBWBXEC-INIZCTEOSA-N 350.422 2.850 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCN(C(=O)c2ccoc2)CC1 584898586 WVTCIGUCAJOJJZ-UHFFFAOYSA-N 364.405 2.658 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(Cc2cc(CN3CCCCC3)cs2)C1 824864215 OKCXWTNINZUEBN-INIZCTEOSA-N 370.584 2.991 0 50 FFAA CCc1nccn1CCNC(=O)c1cccc(-c2c(C)ncnc2OC)c1 584894076 SSNLMEQOCZZRBY-UHFFFAOYSA-N 365.437 2.650 0 50 FFAA COc1ccccc1OC1CN(C(=O)NC[C@H]2CCN(C3CCCC3)C2)C1 670451417 QCXWDUVJBNUHLL-MRXNPFEDSA-N 373.497 2.732 0 50 FFAA Cc1ccc2c(c1)[C@H](NC(=O)CCCn1cnc3c(N)ncnc31)[C@H](C)C2 1875278258 MDZFONOMOKTTRP-CXAGYDPISA-N 364.453 2.547 0 50 FFAA COc1cc(C)c(NC(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)c(C)n1 1875310892 GGXVSKXCFGBTDZ-AWEZNQCLSA-N 359.430 2.885 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565513133 JNSVJPLVXLEOCP-OALUTQOASA-N 358.438 2.715 0 50 FFAA Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(C)c3O)CC2)c(C)o1 171291594 JPHXLFCUQHMHCO-UHFFFAOYSA-N 356.422 2.945 0 50 FFAA O=C(c1cccnc1)N1CCC(NCCc2noc(C3CCCC3)n2)CC1 1506395799 MXGVKJXLBMFITP-UHFFFAOYSA-N 369.469 2.559 0 50 FFAA CCC(=O)N1CC[C@@H]2CN(c3nccc(-c4ccc(C)nc4C)n3)C[C@@H]21 216352781 MRLUMMAFMGGCLT-QAPCUYQASA-N 351.454 2.603 0 50 FFAA Cc1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)no1 1198489 IENDYPJXUIGLSA-GHXNOFRVSA-N 361.354 2.797 0 50 FFAA CC1CCN(C(=O)COc2ccc(CN3CCC[C@H]3C3(O)CC3)cc2)CC1 1772806569 BIZMUKROAJSKNH-FQEVSTJZSA-N 372.509 2.813 0 50 FFAA Fc1ccc(-n2cccn2)c(CNCc2cccnc2N2CCOCC2)c1 11813049 UESVKJWVCOMICI-UHFFFAOYSA-N 367.428 2.533 0 50 FFAA COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(CC=C(C)C)CC2 11971996 JIVJKUHIDKBHDN-UHFFFAOYSA-N 374.481 2.781 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(Cc4ccon4)CC3)on2)c1 12028722 GXEVANCIXZKEOT-UHFFFAOYSA-N 369.421 2.908 0 50 FFAA Cc1c(C(=O)NC[C@@H](C)O)sc2ncnc(NCCc3ccccc3)c12 14999917 YTANTTDXWILNCD-GFCCVEGCSA-N 370.478 2.765 0 50 FFAA O=C(CCc1ccc(F)c(F)c1)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 219996757 KNROQGRKFOOYKO-SIXWZSSISA-N 360.404 2.791 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669010 VCNSAOXNTMISBG-IFXJQAMLSA-N 361.463 2.798 0 50 FFAA CCCc1nnc(N2C[C@@H](C(=O)N3CCC4(CCCC4)C3)CC2=O)s1 1857718041 LMHGJHLHRPXQNQ-ZDUSSCGKSA-N 362.499 2.636 0 50 FFAA CCc1[nH]nc(C(=O)N2CCc3c(cccc3OC)C2)c1Br 331904561 AIVJVPLFAOKCHG-UHFFFAOYSA-N 364.243 2.942 0 50 FFAA COc1cc(CNCC2(O)CCOCC2)ccc1OCc1ccccc1 237134147 ZZKGPLDRGBENCZ-UHFFFAOYSA-N 357.450 2.905 0 50 FFAA O=C1CC2(CCC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2 333929244 YDORAOHNLIOWQU-UHFFFAOYSA-N 366.211 2.650 0 50 FFAA CCOC(=O)NCC(=O)N[C@H](c1cccnc1)c1cc2ccccc2o1 371730446 UEGIJWFOVYHAOL-GOSISDBHSA-N 353.378 2.780 0 50 FFAA c1coc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCCCC2)c1 265439080 PNKORKAPXSYKFL-INIZCTEOSA-N 357.458 2.545 0 50 FFAA C[C@H](C(=O)O)N1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1857781515 ZSCNBVCYDQALTD-CYBMUJFWSA-N 366.417 2.682 0 50 FFAA CCN(CC(=O)NC[C@H](NC(=O)c1coc(C)c1)C(C)C)c1ccccc1 2325793069 DNVUFJWKVWHGPM-IBGZPJMESA-N 371.481 2.985 0 50 FFAA Cc1cc(CN2CC[C@@H](C(=O)O)[C@H](c3ccccc3)C2)nc(N(C)C)n1 2325796563 YQYWJVSFOBUPJY-MSOLQXFVSA-N 354.454 2.541 0 50 FFAA COC1(C(F)(F)CNC(=O)Nc2cnn3cccnc23)CCCCC1 2325818548 JBAHBBNCPUMOFI-UHFFFAOYSA-N 353.373 2.835 0 50 FFAA O=C(Cc1ccc2oc(O)nc2c1)OCc1cccc(OC(F)F)n1 2325865008 IXNIYCCBRVPMDV-UHFFFAOYSA-N 350.277 2.816 0 50 FFAA CCCCC(=O)N(C)[C@H](C)CCNC(=O)c1cccc2c1CCC(=O)N2 2325868148 QCJNYVHUPCTYLF-CQSZACIVSA-N 359.470 2.728 0 50 FFAA CCN(CC)CCC[C@H](C)Nc1ccc2nnc(Br)n2n1 881741264 CRSNFNCFDXACEE-NSHDSACASA-N 355.284 2.809 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 815635 OMQNASOQQZOSTK-SFHVURJKSA-N 374.462 2.625 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 1052299 VQTJNTBUHMJOKY-UHFFFAOYSA-N 356.422 2.675 0 50 FFAA Nc1nnc(SCc2cccc(CSc3nnc(N)s3)n2)s1 2336151 SELRSWJLMRMQPQ-UHFFFAOYSA-N 369.526 2.534 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(O)c1 2874025 HWXIWSBMLPMOAZ-GOSISDBHSA-N 368.389 2.729 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1 3004117 PUWKJOBPYNPKND-UHFFFAOYSA-N 350.484 2.622 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccccc1 3152056 XEQYYMYCWYBELF-LJQANCHMSA-N 364.401 2.641 0 50 FFAA CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cccs1 6699368 BQHDEXDIADMNDB-UHFFFAOYSA-N 352.470 2.609 0 50 FFAA Cc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1 8741509 BLDHVJOQXJNTGH-UHFFFAOYSA-N 367.478 2.760 0 50 FFAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc(C(N)=O)c1C 101705653 GZRWMWOYEHZVJR-DCAQKATOSA-N 350.440 2.707 0 50 FFAA O=C(NCC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 29631629 PTEFGAGGGPNBTE-HNNXBMFYSA-N 370.540 2.845 0 50 FFAA CCOc1ccc(CNCCCN2CCOCC2)cc1Br 20177088 YAWXKLPUJDNAAH-UHFFFAOYSA-N 357.292 2.660 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1N(C)S(C)(=O)=O 65365332 AHPHBMWYTZXRJL-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA COCC1CCN(C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 11874443 FQSZMGQYSHPASC-SFHVURJKSA-N 350.503 2.690 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)COC1CCCCC1 328633927 SWLOTCLXXYFTTM-OXJNMPFZSA-N 362.518 2.611 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3cccnc3)CC2)cn1 328656866 ZSHPOHPQUKUVIT-LEWJYISDSA-N 369.513 2.772 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)Cc1ncc(C)c(OC)c1C)C2 76205350 QHQAJLCMIJJFPV-MRXNPFEDSA-N 370.449 2.925 0 50 FFAA COc1ccc(-c2ncc(C(=O)N3CCC[C@H](CNC(C)=O)C3)s2)cc1 173879908 PXSPDLNHOCNJCN-CQSZACIVSA-N 373.478 2.807 0 50 FFAA Cc1cc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1-n1cncn1 364449866 SSJPZLTWZXEIBD-OAQYLSRUSA-N 359.433 2.672 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cn2cccnc2n1 219438062 FLVURLLIQIBKDC-GSQSYGFSSA-N 373.416 2.520 0 50 FFAA CC1CCN(C(=O)CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)CC1 261732010 LXUPJKMWKHNKOW-GOSISDBHSA-N 361.555 2.951 0 50 FFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 246126326 APUXTMVCVQHMOQ-UWWQBHOKSA-N 350.434 2.594 0 50 FFAA O=S(=O)(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cccc2ccccc12 218918786 XXBOCFDNNNILHF-QZTJIDSGSA-N 361.463 2.702 0 50 FFAA CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)C[C@@H]1CCCCO1 175777568 HIGHVGPCBBVJSL-AWEZNQCLSA-N 364.471 2.837 0 50 FFAA Cc1ccc(Cn2cc(Cl)c(NC(=O)c3c(C(=O)O)cnn3C)n2)cc1 20614402 HXULXJPRPICHLZ-UHFFFAOYSA-N 373.800 2.577 0 50 FFAA Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c2cc(O)ccc2n1C 222848899 QSDNYNMSRQQSGH-AEFFLSMTSA-N 358.438 2.506 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(N4CCCC4=O)cc3)[C@H]2C1 426551089 IVTRNTWFUNVGFP-LVCYWYKZSA-N 372.465 2.612 0 50 FFAA C[C@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1nc(N)n[nH]1 426509362 KLFHXQFSOXGIBK-ZDUSSCGKSA-N 373.420 2.731 0 50 FFAA CCN(CCN(C)C)C(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1 426574731 MJMQIROKNNHGMF-OAHLLOKOSA-N 359.474 2.535 0 50 FFAA O=C1OCC2(CCN(C(=O)CO[C@@H](c3ccccc3)C(F)(F)F)CC2)O1 426711272 IUSSGNWJCXIRKC-AWEZNQCLSA-N 373.327 2.835 0 50 FFAA COc1cc(CN(C)C)ccc1OC[C@H](O)CN1CCCCCCC1 95506259 DNECSQJRIOIPDS-GOSISDBHSA-N 350.503 2.763 0 50 FFAA CN(Cc1ccsc1)C(=O)Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 96180846 SUNDPINNWAOKEB-UHFFFAOYSA-N 373.482 2.668 0 50 FFAA CCc1cc(Cl)ccc1NC(=O)NCCc1nncn1CCOC 96131523 QNQDKYQYQYYXEP-UHFFFAOYSA-N 351.838 2.505 0 50 FFAA O=C(NCc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1F 293725475 HBFQUMWMVXFMDM-UHFFFAOYSA-N 350.340 2.871 0 50 FFAA COCc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1 95380440 OHFGJUHTWQIOAG-QGZVFWFLSA-N 368.433 2.705 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)ccn1 91944009 RJRQVCIYDNRUEK-SFHVURJKSA-N 351.450 2.680 0 50 FFAA CC[C@@H](O)Cn1nc(-c2ccc(F)cc2)nc1CSc1nc(C)n[nH]1 96148825 XFDFWZSHXDTHRY-CYBMUJFWSA-N 362.434 2.574 0 50 FFAA CC(C)c1cncnc1N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95517561 PAAHRVBKQBDQAN-DZGCQCFKSA-N 357.483 2.684 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NC[C@H](c1ccncc1)N1CCOCC1 91468906 AVXWAWQKMBSCRM-MRXNPFEDSA-N 374.510 2.773 0 50 FFAA Cc1ccnc(C[C@H](C)N(C)Cc2cc(O)c3cc(C(N)=O)ccc3n2)c1 91603609 FRRZBCAFPCRDBS-AWEZNQCLSA-N 364.449 2.806 0 50 FFAA Cc1cnn(CC2CCN(C(=O)[C@H](c3cccnc3)N3CCCC3)CC2)c1 95512661 NSHUOECWTTVUSN-FQEVSTJZSA-N 367.497 2.662 0 50 FFAA CCC[C@@]1(CO)CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)C1 92002019 ZYXIXEWSKHGZAQ-HXUWFJFHSA-N 359.470 2.539 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N1C[C@H](c2ccccc2)[C@@H](N)C1 91410337 JUJVBXVCAXXKIM-CVEARBPZSA-N 354.841 2.863 0 50 FFAA COc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 244874580 XDPOXZKWFBFKCV-IJEWVQPXSA-N 374.462 2.637 0 50 FFAA COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1 263619015 WMROGFRRLKOBPF-IBGZPJMESA-N 366.396 2.730 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)no1 441486575 NNXPKOBHNQCKQA-ZDUSSCGKSA-N 360.805 2.954 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCc4ncnn4C3)cn2)c1 1940196013 CNBIDCWFAWDUPG-CYBMUJFWSA-N 365.393 2.675 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-n4cccn4)cc3)[C@H]2C1 299801559 ZDCRPHJAPSRFBX-CMKODMSKSA-N 355.438 2.671 0 50 FFAA CC(C)c1ccc(-c2cccc(C(=O)NCc3nnc4n3CCC4)c2)nn1 299773344 FFXDCKPCVJQQIV-UHFFFAOYSA-N 362.437 2.735 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccccc1-n1nc(C)cc1C)CC2 299779596 ADYBVTHZSLWDTK-HLAWJBBLSA-N 355.482 2.993 0 50 FFAA O=C(c1cccs1)N1CCC2(CC1)CN([C@H]1CCSC1)CCO2 828187387 PKOGBEFEYONIOX-AWEZNQCLSA-N 352.525 2.561 0 50 FFAA Cc1sc2ncn(Cc3nc(N)n[nH]3)c(=O)c2c1-c1cccc(Cl)c1 584896359 AYVQVKRREBZDBN-UHFFFAOYSA-N 372.841 2.835 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)C2([C@@H]3CCCCO3)CCC2)c(F)c1 1875386825 ZTWPJMXYPLOFNV-SFHVURJKSA-N 374.456 2.984 0 50 FFAA Cc1c([C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[C@H]3C3CC3)CC(=O)N2C)cnn1C 1875274172 PLGNLDGHHNSRIE-YZLZLFLDSA-N 372.513 2.581 0 50 FFAA COc1cccc(SCC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 952867881 UZKIWGRLUFKTCO-CQSZACIVSA-N 374.437 2.848 0 50 FFAA COC[C@@H](c1ccccn1)N(C)S(=O)(=O)Cc1ccc(Cl)cc1 952990958 YNUBQYWCBKGDKN-INIZCTEOSA-N 354.859 2.884 0 50 FFAA O=C(N[C@@H](c1c(F)cc(F)cc1F)C(F)(F)F)c1cc2n(n1)CCO2 888090959 CTBAULRWGIMVKP-LBPRGKRZSA-N 365.233 2.726 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccc2ncccc2c1 1565507878 ONLDCJDVVJAIFH-ROUUACIJSA-N 369.446 2.795 0 50 FFAA CCN(CCN1C[C@@H]2CC[C@H]1C2)CCS(=O)(=O)c1ccc(C)cc1 1565506337 JUGMJMIBHKSKFF-MSOLQXFVSA-N 350.528 2.575 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)cc(O)n1 276096849 WBRMTBHNJKEQOO-SFHVURJKSA-N 354.454 2.617 0 50 FFAA CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)Cc1csc(NS(C)(=O)=O)n1 170629882 SDNVLKRQEPLOKI-JSGCOSHPSA-N 373.544 2.730 0 50 FFAA O=C(Nc1ccccc1)c1ccc(NCc2ccnc(-n3ccnc3)c2)nn1 301337749 OSABVZOAUOGNLK-UHFFFAOYSA-N 371.404 2.922 0 50 FFAA Cc1nc2c(c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n1)CCCC2 301569914 NIXLRAPTMZDZLQ-UHFFFAOYSA-N 354.429 2.765 0 50 FFAA COc1cccc(CN(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)n1 189215345 JFYOKZRXPFTHBV-INIZCTEOSA-N 356.422 2.920 0 50 FFAA Cc1nc2c([nH]1)CC[C@H](C(=O)N1CCN(c3ccc(Cl)cc3)CC1)C2 225518472 BCSDVUIEHRGEEC-AWEZNQCLSA-N 358.873 2.825 0 50 FFAA COc1ccnc(NC2CCN(Cc3cnc4cc(C)ccn34)CC2)n1 191692189 LJKNYKZZHWTFFF-UHFFFAOYSA-N 352.442 2.518 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3O)CCO2)cn1 191805724 DLGUZEQNXUOHPR-HNNXBMFYSA-N 369.343 2.841 0 50 FFAA COc1cc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc(OC)c1 198217071 YVKVIEUTZPTCQQ-UHFFFAOYSA-N 365.336 2.742 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)N1CCC[C@@H](c2nnc3ccccn23)C1 1506424921 MUUFRBNTWJOTBL-LQYUOIDQSA-N 368.462 2.703 0 50 FFAA CCOCCN(CCOCC)[C@H](CC)C(=O)Nc1ccc(OC)cc1 1506412380 DADSYDKCEXUILB-GOSISDBHSA-N 352.475 2.787 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(N)=O)c2cc(Cl)ccc2C)cc1 5752810 NPWXPCWTPLNEGX-UHFFFAOYSA-N 352.843 2.637 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 11814474 SHNZHBWFYFDSMD-AWEZNQCLSA-N 359.451 2.634 0 50 FFAA Cn1nccc1C(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 11817087 GISYKWTXIAJLQL-CQSZACIVSA-N 353.344 2.523 0 50 FFAA COc1ccccc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]1)CCCC2 11903550 ZIBHCNOPGWWRLP-NSHDSACASA-N 359.451 2.777 0 50 FFAA CCOCCCNC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12111832 QGFLQPIECLIXKL-INIZCTEOSA-N 366.889 2.664 0 50 FFAA COc1cccc(OCc2nc([C@H]3CC[C@@H](N)[C@H](O)C3)n(C(C)(C)C)n2)c1 1875250290 MOFIZBCPWCZSME-IAOVAPTHSA-N 374.485 2.576 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)C2C3CC4CC(C3)CC2C4)O1 407983813 SRCGECUSADPISH-UUYMFXQISA-N 361.482 2.769 0 50 FFAA COc1cc(NC(=O)CN(CCO)[C@H](C)C2CCCCC2)cc(OC)c1 225535520 JTDZCFBHPIRDIM-OAHLLOKOSA-N 364.486 2.905 0 50 FFAA CN1CCN(c2ccc(NC(=O)C[C@H]3CCOc4ccccc43)nc2)CC1 117757899 PAZDJRCRJMTSDK-MRXNPFEDSA-N 366.465 2.728 0 50 FFAA Cn1c(=O)[nH]c2cc(C(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)ccc21 120578066 NHMXSLQIISXSND-CYBMUJFWSA-N 371.824 2.814 0 50 FFAA O=C(c1cn([C@H]2CC[C@@H](NCc3cccs3)CC2)nn1)N1CCCC1 257372148 MDDIJHALUAEWJX-GASCZTMLSA-N 359.499 2.849 0 50 FFAA C[C@@H]1OCC[C@]12CN(C(=O)NCC1(c3ccc(F)cc3F)CC1)CCO2 366319575 SQRMUEIZRLUNGN-DJJJIMSYSA-N 366.408 2.586 0 50 FFAA COC[C@@]1(C(=O)O)CCN(C(=O)c2cc3c(Cl)nccc3s2)C1 902307113 YSSRERJMLDMTBK-OAHLLOKOSA-N 354.815 2.513 0 50 FFAA C[C@H]1CC(=O)Nc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2N1 905396943 WJPHHPDEBFSMEA-LBPRGKRZSA-N 363.421 2.678 0 50 FFAA c1cncc(-c2nc3c(c(N[C@@H]4CNCC5(CCOCC5)C4)n2)CCC3)c1 905689317 FVUCTPGDJXGUKZ-INIZCTEOSA-N 365.481 2.598 0 50 FFAA Cc1cc(-n2cccn2)ccc1NC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 825145626 BOWUMIVIKAMMND-SFHVURJKSA-N 350.426 2.923 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC(O)(c2ccccc2)CC1 825531594 YRSSEASRQVWJJE-PKOBYXMFSA-N 355.482 2.871 0 50 FFAA Cc1cc(C)c2c(=NC(=O)CCc3nc(-c4ccco4)no3)[nH]sc2n1 2100545716 ZXRZURWCNPLDFK-UHFFFAOYSA-N 369.406 2.944 0 50 FFAA Cc1cccc(N=c2[nH]c(CN3CCCc4ccccc4C3)nc(=N)[nH]2)c1 2100557207 YHMHCAALUAPLGG-UHFFFAOYSA-N 360.465 2.706 0 50 FFAA C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CC1CC(=O)NC(=O)C1 2325779659 WGIZMKHKRDJTGL-HNNXBMFYSA-N 364.445 2.844 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)C2CC4(C2)[C@@H](C(=O)O)C4(F)F)C3)cc1 2325781974 JTIQETAZDVFXNP-QETZJJAGSA-N 361.388 2.841 0 50 FFAA COc1ccccc1CN1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356137697 VVMPSPZLYKKDQD-WOIUINJBSA-N 372.509 2.956 0 50 FFAA CC(=O)N1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 2356138635 NVRSCWSVHNBHIR-UHFFFAOYSA-N 363.801 2.752 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@]12CCCN(C)C2=O 2356149858 XMXNJJFQLQPZOF-FQEVSTJZSA-N 357.429 2.771 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 8477105 AYIGYDKDIDXNNM-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 9197430 JLYNJMJFXMBFKD-AWEZNQCLSA-N 367.405 2.645 0 50 FFAA O=C(NC1CC1)c1ccc([C@H]2CCCN2C(=O)CCc2cnccn2)s1 23232125 SETXQSASHSJTOB-OAHLLOKOSA-N 370.478 2.727 0 50 FFAA COc1ccc([C@@H](CNC(=O)c2snnc2C)N2CCCCC2)cc1 28292560 XBVZSPOAKIOZAJ-MRXNPFEDSA-N 360.483 2.812 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c(=O)n2n1 102759305 QTZYBKLVCVEMPV-INIZCTEOSA-N 354.385 2.838 0 50 FFAA CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccccc1F 10449543 BHQVLPCXKZBKPZ-UHFFFAOYSA-N 362.426 2.571 0 50 FFAA COc1cc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 10542889 GNFQYECIOPSKPL-GJZGRUSLSA-N 364.486 2.810 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 10544010 AEHVMHFHDPUJSZ-HZPDHXFCSA-N 354.516 2.732 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](CN(C)C)C2)cc1Cl 117923495 JDXDBXJGVAPYMP-SNVBAGLBSA-N 367.298 2.574 0 50 FFAA Cc1cc(-n2c(SCC(=O)O)nnc2-c2ccc(Cl)s2)n(C)n1 65528605 ILEYFSOZURRWFD-UHFFFAOYSA-N 369.859 2.868 0 50 FFAA O=C(NCc1csc(-c2ncccn2)n1)c1cc(-c2ccccc2)[nH]n1 67974200 FGLUVNASRIIPQC-UHFFFAOYSA-N 362.418 2.920 0 50 FFAA Cc1nc2ccccc2nc1SCCN1C(=O)NC2(CCCC2)C1=O 118612108 NRFIAAQKTOHYRI-UHFFFAOYSA-N 356.451 2.895 0 50 FFAA Cc1cnccc1NCCNC(=O)C1(c2ccccc2)CCN(C)CC1 219311777 AUBDQFYRNDIGPI-UHFFFAOYSA-N 352.482 2.582 0 50 FFAA Cc1cnccc1N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 77391533 RWFJKQQSSOCNGX-FQEVSTJZSA-N 353.470 2.565 0 50 FFAA O[C@H](COc1ccc2cc(Br)ccc2c1)CN1CCOCC1 20029107 ZFQRIWZXQYJFQZ-INIZCTEOSA-N 366.255 2.674 0 50 FFAA CCn1c(CC2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)nn(C)c1=O 67967700 LQZBNYMDMINWQE-MRXNPFEDSA-N 370.497 2.577 0 50 FFAA CCC[C@H](N)C(=O)N1CCC(c2n[nH]cc2-c2cccc(OC)c2)CC1 67884401 JDHRNJYWGMYEGQ-SFHVURJKSA-N 356.470 2.919 0 50 FFAA CCCN1CCN(C)C2(CCN(C(=O)c3ccc(OCC)cc3)CC2)C1 67885460 JNFJNABZNPBXEY-UHFFFAOYSA-N 359.514 2.718 0 50 FFAA CC[C@@H](NC(=O)Cn1nc(C)c2ccccc2c1=O)c1ncccc1C 71315466 RUEVIKXFKYYMBB-QGZVFWFLSA-N 350.422 2.676 0 50 FFAA CC(C)(O)c1ccc(CNC(=O)NCCc2ccc3c(c2)CCO3)cc1 252570771 XDFWFMWWJSLCRP-UHFFFAOYSA-N 354.450 2.891 0 50 FFAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)C1 229625734 QNVMJSAATSRWSN-OXJNMPFZSA-N 369.509 2.587 0 50 FFAA C[C@H]1[C@@H](C)N(C(=O)c2cc(C3CC3)nc3ccccc23)CCS1(=O)=O 121305012 BICIMMBOWISVRO-OLZOCXBDSA-N 358.463 2.760 0 50 FFAA COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Nc4c3c(C(C)C)nn4C)cc2c1 65536229 NQNHFBNPRBROGC-ZDUSSCGKSA-N 366.421 2.868 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC(O)(c2ccccn2)CC1 65403402 MJZAMGJQDZIUNI-UHFFFAOYSA-N 368.462 2.667 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@@H]1c1cccn1C)C2=O 173571358 IUUGHKDYJSPKSM-GOSISDBHSA-N 365.433 2.683 0 50 FFAA CC(C)CCNc1nc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 409412982 UXQXLDLTGCHBDZ-KDOFPFPSSA-N 351.516 3.368 0 50 FFAA biogenic CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1 326924530 QZWPXFIGVVACLE-UHFFFAOYSA-N 363.410 2.763 0 50 FFAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 72132921 QWRJCWPOWQWRGP-OAQYLSRUSA-N 372.465 2.824 0 50 FFAA COCc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)o1 11662127 WJJBBAXEGASNGC-HNNXBMFYSA-N 352.394 2.814 0 50 FFAA O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1Cc1ccccn1 36354834 CMXUOJLZLJWHLV-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA CN(C[C@H](O)COc1ccccc1F)C1CCN(c2ccccn2)CC1 370191738 NJZSSQSIFRHHMH-KRWDZBQOSA-N 359.445 2.561 0 50 FFAA CCCc1nnc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)o1 71767871 LWAUBUKWFQSAFN-CYBMUJFWSA-N 353.426 2.993 0 50 FFAA COCCOc1ncccc1NC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 157824193 QVJOYTCCRWTIBO-QAPCUYQASA-N 374.485 2.587 0 50 FFAA Cc1nc(S(=O)(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cn1C 72166307 CZACZHKEFAHGBH-INIZCTEOSA-N 363.483 2.610 0 50 FFAA Cc1cccc(CN2CCN(c3nc(C)cc(C(F)(F)F)n3)CC2)n1 72145686 TUSFBFQLGREQFB-UHFFFAOYSA-N 351.376 2.829 0 50 FFAA CCc1onc(C)c1NC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 333455515 ZMKPETGUYSDUQR-BETUJISGSA-N 365.336 2.880 0 50 FFAA C/C=C(\C)CN1CCCn2nc(CN(C)C[C@]3(C)CCN(C)C3)cc2C1 72149664 ZEIDXWXCYXRLSU-POCMVBEYSA-N 359.562 2.829 0 50 FFAA COc1ccc(CC(=O)N2CC[C@](O)(c3ccccc3C)C2)cc1OC 219223877 NZFNOFMVMMMDAX-OAQYLSRUSA-N 355.434 2.675 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCc2c(C)nn(C)c2C)C1 175031267 AHUSWHIUUHVECS-QGZVFWFLSA-N 373.476 2.953 0 50 FFAA C[C@@H](C(=O)Nc1nccs1)N1CCN(c2ccnc3ccccc23)CC1 241776761 RSFYNLPIKQMXPB-AWEZNQCLSA-N 367.478 2.841 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 44692262 MVTQUIQPAFDBDM-OAHLLOKOSA-N 369.396 2.948 0 50 FFAA C[C@@H](C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)n1cccn1 44683121 OBACDAUZDGWPLB-AWEZNQCLSA-N 366.387 2.807 0 50 FFAA CCn1c(C)cc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1C 82157743 ZQHOAZWEMZSOQS-UHFFFAOYSA-N 357.429 2.749 0 50 FFAA O=C(N[C@@H](c1noc([C@H]2CCc3[nH]ncc3C2)n1)C1CC1)c1ccccc1 289248032 YFWDJXNVMPOQBF-WMLDXEAASA-N 363.421 2.946 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCc3cc4n(n3)CCCNC4)o2)cc1 82108079 ASFXJLGNYQDZRW-UHFFFAOYSA-N 366.421 2.575 0 50 FFAA CSc1ccccc1C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1 48130313 HXBOYRNWKROLOA-UHFFFAOYSA-N 360.483 2.705 0 50 FFAA Cc1nc(O)c(C(=O)NCCc2nc3ccccc3n2C)c(C)c1Cl 426414751 SJQXXKRRYWZYEA-UHFFFAOYSA-N 358.829 2.917 0 50 FFAA Cn1cc(Br)cc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 220942008 IWTBQHFADKVOPH-CDMKHQONSA-N 355.232 2.646 0 50 FFAA CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCCC2)C1 44803564 NMZNCSZUBDFBNL-OAHLLOKOSA-N 354.454 2.867 0 50 FFAA COc1cccc([C@@H]2CCN(C(=O)NCCCn3ccnc3C)C2)c1OC 426490444 YJFNUKSSTJGVLG-MRXNPFEDSA-N 372.469 2.798 0 50 FFAA COc1cc(Cl)cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)oc12 223672060 WVNBNTLOQBSNCG-HVDRQEDPSA-N 364.829 2.542 0 50 FFAA COc1ccc(N2C[C@@H](C)N(Cc3ccc(OC)cc3OC)CC2=O)cc1 82120843 DROHQJJMMZDDFA-OAHLLOKOSA-N 370.449 2.950 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)c3onc4c3CCCC4)C2)c1 426701780 YDKMOHJSYGGQSI-CQSZACIVSA-N 354.406 2.956 0 50 FFAA CCNc1ncc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)cn1 91706544 QGICJWVCGOYMJN-QGZVFWFLSA-N 353.470 2.518 0 50 FFAA CN1CCN(CCCC(F)(F)F)C[C@@]12CCC(=O)N(CC1CC1)CC2 91665576 MTBCRVYOTIDZBT-KRWDZBQOSA-N 361.452 2.738 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)nn(CC)c1C 91725735 SIGUXSRAHIUUHT-SJORKVTESA-N 362.518 2.859 0 50 FFAA CCN1CC2(CCN(C(=O)CSC)CC2)C[C@@H](c2ccccc2)C1=O 91707201 IIXLGQNCNZMHQF-KRWDZBQOSA-N 360.523 2.994 0 50 FFAA COc1ccc(CN2CCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 95524797 FVXZGNLQPJLARK-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA CCOC[C@@H](O)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O 91643769 ALUDPOVUKBZUNV-FQEVSTJZSA-N 353.462 2.993 0 50 FFAA O[C@H]1CCCOC12CCN(Cc1cnc(NCc3ccccc3)nc1)CC2 95386285 IDDUJHFQXJYCIR-IBGZPJMESA-N 368.481 2.595 0 50 FFAA CCOc1ccccc1[C@@H](C(=O)O)N1CCC(C(=O)N2CCCC2)CC1 95372837 NZQZVWVHRXSQLV-SFHVURJKSA-N 360.454 2.545 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C(=O)c3ccoc3C)CC2)CC1=O 91807194 IRYRNYCUTSHHFL-UHFFFAOYSA-N 371.437 2.848 0 50 FFAA O=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(Cc2ccco2)CC1 96132187 FVANQERCJBUMJQ-UHFFFAOYSA-N 370.409 2.586 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1ccc(C(=O)NC)o1 95384517 ZHYMORBWWFDBFH-OAHLLOKOSA-N 368.437 2.819 0 50 FFAA C[C@@H](NC(=O)c1cnc2c(c1)CCCC2)c1ccc(S(C)(=O)=O)cc1 97527186 WYJOIZYNDIHCJC-CYBMUJFWSA-N 358.463 2.855 0 50 FFAA COc1ccc(CN(C)[C@H](C)C(=O)Nc2nncs2)c2cccnc12 244695587 JPCWFMPTBHLMQN-LLVKDONJSA-N 357.439 2.554 0 50 FFAA COc1ccc(CN2CC[C@](C(=O)O)(c3ccccc3)C2)cc1C(=O)O 252482709 DMHYBKXKBCSCGF-HXUWFJFHSA-N 355.390 2.622 0 50 FFAA Fc1ccc(F)c(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299770477 UPGIPKAMLXBMBI-UHFFFAOYSA-N 356.380 2.579 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C1 269197382 QHYHKLRVPUWMRF-GFCCVEGCSA-N 359.403 2.733 0 50 FFAA CCN(CCN1CCCC1)C(=O)c1cccc(-c2ncc(F)c(OC)n2)c1 584898959 JSDFAKZYXJWZNE-UHFFFAOYSA-N 372.444 2.849 0 50 FFAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1sc2ccccc2c1Cl 670439959 ATVMMMBJLJRSFU-NSHDSACASA-N 372.899 2.595 0 50 FFAA O=C(N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1)C1C[C@@H]2COC[C@H]2C1 1875310525 SYGVCLITENTZSJ-CHWSQXEVSA-N 365.355 2.924 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)c1nccs1 1875383014 BVQXTHLDNDNAQS-GDBMZVCRSA-N 355.463 2.505 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)s1 952989572 NQKNSCMGVPBQMR-INIZCTEOSA-N 350.509 2.734 0 50 FFAA COc1ccc(CCC(=O)NCc2cnn(Cc3ccccc3)c2)cn1 1350573240 JHZQSJXKQJTAHF-UHFFFAOYSA-N 350.422 2.584 0 50 FFAA COc1cc(C)c(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1F 278338406 BYZPDCAMRGCQPO-CQSZACIVSA-N 365.449 2.860 0 50 FFAA COCCOc1ccc(NS(=O)(=O)Cc2cccc3cccnc23)cn1 170617490 HLKLMMFXBHXIEX-UHFFFAOYSA-N 373.434 2.597 0 50 FFAA Cc1csc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)n1 170804234 ZRWUWRLMOBFDJL-OCCSQVGLSA-N 359.451 2.639 0 50 FFAA Cc1cccc(C[C@@H](CO)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 191222761 HWCVXNAGIIYPBX-HNNXBMFYSA-N 353.397 2.858 0 50 FFAA O=C(COc1ccccc1-c1nnco1)N1CCC[C@H](C(F)(F)F)C1 193680244 VTIFOWPDABJBOI-NSHDSACASA-N 355.316 2.916 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccccc4Cl)CC3)C[C@H]2O)n[nH]1 1529180667 HOHGPEHNWUWKCX-FOIQADDNSA-N 374.916 2.876 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)CCn3cc(C)cn3)CC1)OCC2 1704298477 GFPPAVTUIJBUBU-UHFFFAOYSA-N 369.465 2.681 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CSc3ccccc3)o1)C2 1704310963 WFIFHGMFQPQYEV-CVEARBPZSA-N 372.490 2.975 0 50 FFAA O[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)C[C@H]1Cc1cnccn1 1704297789 FETZUAFUHFCNJI-NOZJJQNGSA-N 358.751 2.584 0 50 FFAA O=C(O)CCCNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 2257390 BVTFZQQRVTYKRG-GHRIWEEISA-N 370.380 2.578 0 50 FFAA CN1C[C@H](CN2CCN(c3cc(Cl)ccc3Cl)CC2)CCC1=O 1775981933 KNYLVZQSFUBCJB-CYBMUJFWSA-N 356.297 2.984 0 50 FFAA O=C(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772710038 LQQWAUFPHSSELW-DYESRHJHSA-N 353.418 2.950 0 50 FFAA O=C1CN(C[C@H]2CCCN2Cc2ccccc2)C[C@H](Cc2ccccc2)N1 1772700287 BBDKJANWFVODMW-FCHUYYIVSA-N 363.505 2.694 0 50 FFAA Cc1cc(O[C@H](C)C(=O)NCc2ccncc2)c2c(C)cc(=O)oc2c1 5243768 YKVYZWSECUUYOZ-CQSZACIVSA-N 352.390 2.889 0 50 FFAA Cn1cnnc1SCCNCc1c[nH]nc1-c1cc2ccccc2o1 11936732 WNDTYJUCAMMAEJ-UHFFFAOYSA-N 354.439 2.833 0 50 FFAA Cc1cccc(CN2CC[C@H](N(C)CCc3cnn(C)c3)CCC2=O)c1 12191405 VERGBIMQYKNZIQ-HXUWFJFHSA-N 354.498 2.784 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N1CCO[C@@H](Cc2cccc(F)c2)C1 12307172 YQINBUAJTNCKPS-INIZCTEOSA-N 353.397 2.715 0 50 FFAA COc1ccc(CC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 12404231 AUGQBOBHZYYWRB-IBGZPJMESA-N 368.433 2.785 0 50 FFAA COC(=O)CN(C)C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 12433450 GZQDOLBDSRHBRX-UHFFFAOYSA-N 363.826 2.961 0 50 FFAA CN(C)c1cc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)ncn1 12436316 HJXYJPBKKBHHGE-LJQANCHMSA-N 366.513 2.676 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccs2)n2ncnc2N1 13127031 YKHYIUKAEVWOSY-MRXNPFEDSA-N 351.435 2.945 0 50 FFAA CCCN1CCC(N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)CC1 19223009 VPUXYFSIMLZSBK-NRFANRHFSA-N 363.521 2.569 0 50 FFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCc4ccon4)C3)nc2c1 1857695671 TWQXTRGEHWFVAH-CYBMUJFWSA-N 370.409 2.747 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(c3nc(C)nc4ccsc34)C[C@]23CC[C@H]1O3 1857715203 GXAXHXSLVODVSM-FAYLSGKYSA-N 372.494 2.510 0 50 FFAA Cc1ccc2cc(-c3nccn3C3CCS(=O)(=O)CC3)c(O)nc2c1 1857727943 GSXWZODARFMIFO-UHFFFAOYSA-N 357.435 2.862 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2nccs2)CC[C@@H]1O 1875251152 NWJNDEASPXSGFB-QFBILLFUSA-N 360.479 2.804 0 50 FFAA CN(Cc1cccc2c1OCO2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328655395 YHVZOXQNTIHAEG-HNAYVOBHSA-N 356.470 2.664 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)Cc3ccc(C)nc3)C2)c1 157529086 XPCYDHXMIFVATR-KRWDZBQOSA-N 369.465 2.592 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@]2(CCc3cnc(N)nc32)C1 1704338567 VGRUYZGELHMDGI-IBGZPJMESA-N 372.856 2.841 0 50 FFAA Ic1cnn(Cc2nc(-c3ccccc3)no2)c1 6702693 LXKRGPRFPLAOJJ-UHFFFAOYSA-N 352.135 2.586 0 50 FFAA COc1cc(OC)c(C(=O)N2CC3(COc4ccccc4C3)C2)cc1OC 2100540782 PIBAPVIJZVRSMW-UHFFFAOYSA-N 369.417 2.790 0 50 FFAA O=C(NCCN1C(=O)COc2ccccc21)c1cc2c(s1)CCSC2 2325740490 MBUPBCHKXYGQBP-UHFFFAOYSA-N 374.487 2.693 0 50 FFAA N[C@H](CCNC(=O)N[C@@H]1CCO[C@H](c2cccnc2)C1)Cc1ccccc1 2325761975 SQHOTIWMIWCKFX-AQNXPRMDSA-N 368.481 2.561 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(NC(C)=O)sc3c2)C1 2325888576 HJMHWWAFUGKDEE-GFCCVEGCSA-N 372.450 2.618 0 50 FFAA C[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2o1)c1ccc2c(c1)OCO2 884064298 CEIUSJWKUGBTBD-WBMJQRKESA-N 352.390 2.909 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 853925 ZYYOIICFZZJNDB-RDTXWAMCSA-N 374.437 2.824 0 50 FFAA biogenic COc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC 1205841 JVEOAHIXTIYNTE-UHFFFAOYSA-N 358.413 2.734 0 50 FFAA CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 2058314 ILDUOCOEZKKKBH-CQSZACIVSA-N 368.817 2.978 0 50 FFAA COc1cc(-c2nnc3sc(-c4cccnc4)nn23)cc(OC)c1OC 2356613 MUAIERCCLKTNGW-UHFFFAOYSA-N 369.406 2.941 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356170246 AFVWHTXBYYEANX-OAQYLSRUSA-N 355.482 2.508 0 50 FFAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccccc2Cl)NC(=O)N1 4854828 MJENOMJQTCPQGM-HNNXBMFYSA-N 352.818 2.936 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)CC1 6742234 PMDQKGUKRVSLDM-TZJYRCSTSA-N 370.493 2.776 0 50 FFAA CC(C)C(=O)N1c2ccccc2OC(=O)[C@H]1CC(=O)Nc1ccccc1 9225415 DONBNQVPDLYSOP-MRXNPFEDSA-N 352.390 2.992 0 50 FFAA CC(C)CN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1nncs1 55326032 KTBNNUYQPMKCDB-UHFFFAOYSA-N 352.847 2.815 0 50 FFAA CN1CCC2(CC1)CN(C(=O)CCCC(=O)c1ccccc1)CCCN2C 67955926 KGELMMZOWCJYHB-UHFFFAOYSA-N 371.525 2.668 0 50 FFAA Cc1c(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cnn1C1CCCC1 137579327 QKEBNQRCGTVIHG-CYBMUJFWSA-N 358.408 2.921 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(C)ccc2C)CC1 25271735 BKGMCLBPPCGBDR-OAHLLOKOSA-N 352.500 2.542 0 50 FFAA O=C(NCCc1ncc[nH]1)c1coc(COc2ccc(F)cc2Cl)n1 67743186 WZMAQTGLGWWDIJ-UHFFFAOYSA-N 364.764 2.742 0 50 FFAA CN1CCCN(c2ccc(NC(=O)NCC[C@H]3CCCO3)cc2F)CC1 252457238 QCWXNNSZYARIRQ-MRXNPFEDSA-N 364.465 2.658 0 50 FFAA CC(C)(C)C[C@@H](N)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67696043 ADUNFDRXMGPDRN-QGZVFWFLSA-N 369.465 2.939 0 50 FFAA O=C(CCn1cccn1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123389631 WWEOEAWRBUWRDV-CABCVRRESA-N 353.344 2.627 0 50 FFAA CCn1cc(NC(=O)c2cccc(C)c2)c(C(=O)NCc2ccco2)n1 2801274 MFPAGZLOZQEKSO-UHFFFAOYSA-N 352.394 2.987 0 50 FFAA CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl 4690063 BTYXBORDNPBOIM-UHFFFAOYSA-N 353.271 2.774 0 50 FFAA COc1cc(CN2C[C@H]3CC=CC[C@H]3C2)cc(OC)c1O[C@H](C)C(=O)O 71753662 UNXQXSNWICUBRC-BMFZPTHFSA-N 361.438 2.954 0 50 FFAA Cc1nnc(-c2ccccc2C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 124642680 NJGBTKVXHQMJSC-KBPBESRZSA-N 372.469 2.663 0 50 FFAA CCOc1cc(C(=O)N2C[C@H](C)N[C@H](C)C2)ccc1OCc1ccncc1 153922302 ZKXWIIOTIYYDMO-IYBDPMFKSA-N 369.465 2.882 0 50 FFAA Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)[C@H]3OCCc4sccc43)C2)c1 332997784 QDGNHCXBBFPJIY-JJRVBVJISA-N 360.483 2.912 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccn(C(F)F)n2)[C@@H](C)C1 72458392 SQUAIKPTMOSBMC-LBPRGKRZSA-N 350.369 2.638 0 50 FFAA Cc1nc(C(=O)N(C)C2CCNCC2)nn1-c1c(Cl)cccc1Cl 237117310 IZHNILPTDPNDSX-UHFFFAOYSA-N 368.268 2.707 0 50 FFAA Cc1cc(O)ncc1C(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 490257715 QJIBRFVFMHUCGW-INIZCTEOSA-N 356.422 2.794 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 72174021 QATBEPHPHNKMAV-GOSISDBHSA-N 356.491 2.862 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](Cc3ccncc3)C2)cc1 378619557 FRBURBUVLXRWSC-OAHLLOKOSA-N 359.451 2.582 0 50 FFAA CN(CC(F)(F)F)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 374416130 PNCSLVDKWZEOPR-NSHDSACASA-N 353.385 2.980 0 50 FFAA Cc1cc2oc(=O)cc(CN3CCOC[C@@H]3c3nc[nH]n3)c2cc1C(C)C 375284810 ULVSTXGQYYSLPR-QGZVFWFLSA-N 368.437 2.916 0 50 FFAA C[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)c2cccnc2O1 158481949 QJICKZKTTVCNDA-OAHLLOKOSA-N 365.433 2.748 0 50 FFAA CC[C@H]1CN(CC(=O)N2CCCCC2)CCC(=O)N1Cc1ccccc1 71761440 OMMZUKVTCOLRDR-IBGZPJMESA-N 357.498 2.512 0 50 FFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnc(C)[nH]2)cc1 239637124 BIZIRONUEPXTOV-RKPUJPDHSA-N 360.483 2.590 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)c3c(C)n[nH]c3C3CC3)CC2=O)c1 72407203 WGWOTGBVEWVENS-UHFFFAOYSA-N 366.465 2.697 0 50 FFAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1cc(C(F)(F)F)ccc1Cl 215759895 HPJDKZVQIOKOIT-NSHDSACASA-N 362.779 3.000 0 50 FFAA Cc1nn(CC(=O)N2CCCC[C@@H]2c2ccccn2)c(=O)c2ccccc12 72411193 KVCLBXNNYOLGSU-LJQANCHMSA-N 362.433 2.854 0 50 FFAA Cn1ncc(Cl)c1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222853471 CYYSFFSPPSZECT-AJUCZRQESA-N 370.840 2.864 0 50 FFAA CC(C)c1cc(NC(=O)c2nn(C)cc2C(=O)O)n(-c2ccc(F)cc2)n1 20616447 KZXGNLIMGNONDB-UHFFFAOYSA-N 371.372 2.819 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)c1ccc2c(c1)OCCO2 82107162 RGVPUZNYFCNPRQ-CQSZACIVSA-N 357.454 2.960 0 50 FFAA COc1ccc(C(=O)NCc2c(C)ccc3ncccc23)c(OCCN)c1 426497213 JXEOJRZQQMRTTK-UHFFFAOYSA-N 365.433 2.819 0 50 FFAA Cc1ccc(CN(CCO)C(=O)NC[C@@H]2CCCN(C(C)C)C2)s1 426383196 ZEPYMNXXFLZFSF-INIZCTEOSA-N 353.532 2.681 0 50 FFAA Cc1nccn1C[C@@H](C)CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1 178803922 IULFNZKAEYDGBM-HRAATJIYSA-N 368.481 2.711 0 50 FFAA Cc1csc([C@H](C)CNC(=O)CCS(=O)(=O)c2ccccc2)n1 220463558 DUZWLPXNCZUEGM-GFCCVEGCSA-N 352.481 2.535 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H](C)c1cn2ccsc2n1 222265052 YNLDISSERIUNSV-ZDUSSCGKSA-N 366.446 2.897 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCCN(C(=O)C2CCC2)C1 82092228 YLLKMYNKARUYMM-MRXNPFEDSA-N 368.481 2.793 0 50 FFAA O=C(CCCn1cncn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 82106584 UUYRINCVDXSPLI-UHFFFAOYSA-N 368.268 2.714 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCCOCc3ccccc3)C[C@@H]2N)c1 91595762 YVDTYMDFXUPYGO-RTWAWAEBSA-N 368.477 2.945 0 50 FFAA COc1ccc(-c2nc(CN3C(=O)COc4cccnc43)c(C)o2)cc1 95375638 RHKFZVCUYUQYLZ-UHFFFAOYSA-N 351.362 2.979 0 50 FFAA CSc1ccccc1[C@@H](C(=O)O)N1CCN(Cc2ccccn2)CC1 95360127 ONLWQBKYCJLFDQ-SFHVURJKSA-N 357.479 2.747 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c(C)[nH]c3c(F)cccc13)C2 95380507 ZAYCVXVCBVYRKG-HZPDHXFCSA-N 373.472 2.727 0 50 FFAA COc1cccc(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)c1OC 95359206 AMEGDXSGWMIWSD-GOSISDBHSA-N 355.438 2.552 0 50 FFAA Cc1cccc(OCC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)c1C 91736801 REPMVCOEGUINED-UHFFFAOYSA-N 370.424 2.692 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 91410022 OJLVEAVEFMVJIX-MRXNPFEDSA-N 373.453 2.567 0 50 FFAA CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(Br)c(F)c1 238860522 ZRFBAFIUHGHMIQ-UHFFFAOYSA-N 361.163 2.513 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCN4CCC[C@H]4C3)n2)cc1C(=O)O 244690898 IYYPMAUBMGBPLE-HNNXBMFYSA-N 368.437 2.525 0 50 FFAA Cc1c(C(=O)NC2CCN(C3CCOCC3)CC2)c2cc(O)ccc2n1C 244734327 NDKXMRRBXLWIFK-UHFFFAOYSA-N 371.481 2.566 0 50 FFAA CCOc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)[nH]c2c1 299749336 JZEUXTHADDHCJZ-OAHLLOKOSA-N 360.410 2.663 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)NCC2(Cn3ccnc3C)CC2)n1 534589962 NSRGFYKQCAMQFB-HNNXBMFYSA-N 358.446 2.600 0 50 FFAA O=C(NCc1ccco1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 263617278 NBCTZXSTVJBDTB-HNNXBMFYSA-N 358.785 2.726 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(c3cccc(C)c3)C2)s1 299802978 TVGPFQCSZPLDCS-CYBMUJFWSA-N 358.467 2.727 0 50 FFAA O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(F)c(F)c1F 670444910 GNYMJJCZGXDICM-UHFFFAOYSA-N 359.373 2.574 0 50 FFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc3cccnc3c2N)cc1 1875349537 BAZPRMFDIMZDBR-GFCCVEGCSA-N 364.405 2.583 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCSCC3)C[C@@H]2CO)c1 1875380558 SBKJHZJNPIJRFC-MRXNPFEDSA-N 360.479 2.531 0 50 FFAA CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@H]3CCNC34CCC4)n2)cc1 1875354625 YPQVRCLLBUQNFF-KRWDZBQOSA-N 354.454 2.716 0 50 FFAA O=C(N[C@H]1CCN(c2ncccn2)CC12CCC2)c1cnc(C2CC2)o1 1875404928 CQQYGDOUVXDZSS-HNNXBMFYSA-N 353.426 2.521 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1ccccc1Br 1875400306 WIUULBPJFXOLPS-DAXOMENPSA-N 350.260 2.575 0 50 FFAA COc1cccc(-c2nc(C)c(C(=O)N3CC[C@@H](c4cc[nH]n4)C3)[nH]2)c1 1875285911 GFQZKBVMRNKJBJ-CQSZACIVSA-N 351.410 2.747 0 50 FFAA COc1ccc2c(C(=O)N3CCC[C@H]3CC(=O)c3ccco3)cnn2c1 1875266931 UPLXUQCXWCMQPO-ZDUSSCGKSA-N 353.378 2.814 0 50 FFAA Cc1nnc(SCC(=O)N(C)Cc2ccccc2CN2CCCC2)o1 952969017 GWKIEZBHRDOYDF-UHFFFAOYSA-N 360.483 2.725 0 50 FFAA CCCOc1ccc(NC(=O)[C@H]2CCC(=O)N(CCOC)C2)cc1Cl 952975938 PMZFZAVIDHMPEB-ZDUSSCGKSA-N 368.861 2.952 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1NC(=O)N(C)C 1565506169 OGWXINJEGGQFHB-MSOLQXFVSA-N 369.465 2.913 0 50 FFAA O=C(c1ccccc1Cl)N1C[C@@H]2CN(CC3CCC3)C[C@]2(C(=O)O)C1 1565526749 WNEPOJYMGXPPBL-LIRRHRJNSA-N 362.857 2.599 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)CO2 275665581 QMWJUNKFRYVYND-XKGZKEIXSA-N 368.433 2.678 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCC1=O 170603601 QICOTIWSMMOCRG-QMMMGPOBSA-N 355.765 2.958 0 50 FFAA O=C(c1cc(-c2cccs2)nc2ccccc12)N1CC[C@@H](CO)[C@@H](O)C1 191987422 FJSWVXYRQVEFNT-UGSOOPFHSA-N 368.458 2.779 0 50 FFAA O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCc2ccc(F)cc21 194899482 RUYBTCJXKZASAQ-QGZVFWFLSA-N 374.437 2.568 0 50 FFAA CN1C(=O)[C@@](CC(=O)Nc2nccn2C)(Cc2ccccc2)c2ccccc21 1529182595 VLJLDORJAVKRLB-JOCHJYFZSA-N 374.444 2.906 0 50 FFAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(C(C)C)nc(N)n1)C2 222296245 UGBMMPKOOHYHFZ-HOTGVXAUSA-N 357.502 2.685 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(c1nc(-c3ccccc3)nc3c1CCC3)C2 1772706500 SJNTYAIHESSAPT-VFNWGFHPSA-N 365.433 2.560 0 50 FFAA O=C([C@@H]1CCc2sc(N3CCOCC3)nc2C1)N1C[C@H]2CC=CC[C@H]2C1 1772818151 NJVZHTPWYQDDED-OAGGEKHMSA-N 373.522 2.509 0 50 FFAA O=C(Cc1ccc(Cl)cc1)N1CCCN(C[C@@H]2CCCCO2)CC1 1772806479 YOEVZFYBVRGFCK-SFHVURJKSA-N 350.890 2.986 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1 11714678 MBDBVXJUDYQXKE-CQSZACIVSA-N 360.410 2.761 0 50 FFAA O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 12304766 KKOLHZWMFFXCPN-IPYPFGDCSA-N 363.417 2.902 0 50 FFAA O=C(Cn1nc2ccccc2n1)NCc1cccnc1Oc1ccccc1 12308152 UUXJZFRUYMVAQA-UHFFFAOYSA-N 359.389 2.935 0 50 FFAA O=S(=O)(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cccnc1 12318154 BPXPTDWBEFRJPE-SFHVURJKSA-N 366.446 2.895 0 50 FFAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2c(C)nn(C)c2Cl)C1 12581233 XHZOQICJGASZSQ-QGZVFWFLSA-N 357.882 2.564 0 50 FFAA COc1ccc([C@@H]2C[C@H](c3cccc(OC)c3OC)n3nnnc3N2)cc1 13124607 IVBVNCLHSRBQBU-JKSUJKDBSA-N 367.409 2.845 0 50 FFAA CC[C@H](C(=O)Nc1cccnc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716353 FPWMVPHDFRZCSZ-QGZVFWFLSA-N 361.467 2.882 0 50 FFAA COCCN(C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C)C(C)C 15000536 GSOWSBSEKMODEC-UHFFFAOYSA-N 369.425 2.728 0 50 FFAA O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1nccs1 15679171 LYAIEQLFNOUSCN-UHFFFAOYSA-N 359.363 2.682 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 16579833 HBMQOOFWGBASMC-UHFFFAOYSA-N 352.406 2.617 0 50 FFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Br)c1 17724707 REPDOYBEWNSOAO-LBPRGKRZSA-N 355.257 2.805 0 50 FFAA CC(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)[nH]n1 19744758 AWNPMQVXADRBLU-HNNXBMFYSA-N 360.845 2.660 0 50 FFAA O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCCC1 19860088 OULOLQXMSZUALG-HNNXBMFYSA-N 370.902 2.504 0 50 FFAA NC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)CC=Cc1cccc(F)c1 1857529816 CEXRLTGKSMXOPA-MRXNPFEDSA-N 356.401 2.805 0 50 FFAA CCc1nnsc1C(=O)N[C@](CC)(C(=O)O)c1ccc(Cl)cc1 262115208 MWUPQCHDDZSVOR-HNNXBMFYSA-N 353.831 2.874 0 50 FFAA C[C@@H]1Oc2ccc(S(=O)(=O)N3CCCCc4ccccc43)cc2NC1=O 12417040 NKXWTDIJGDLBQB-ZDUSSCGKSA-N 372.446 2.938 0 50 FFAA C[C@@H](OC(=O)c1cn(C)nc1C(F)(F)F)c1nc2c(s1)COCC2 2325774749 PWHYLJVTCHQUOV-SSDOTTSWSA-N 361.345 2.886 0 50 FFAA C[C@@H]1C[C@H]1c1nnc2ccc(=NCc3cc(C(F)(F)F)sn3)[nH]n12 2325796404 NTSJQUZOBKMOKE-VXNVDRBHSA-N 354.361 2.757 0 50 FFAA Cc1cc(NC(=O)c2cnc(COc3ccccc3)s2)cn(C)c1=O 2325849063 BQNWSVAQNHIXMC-UHFFFAOYSA-N 355.419 2.982 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(O)c(F)cc3F)CC2=O)cc1 909974903 LSZMSPKWGBJFRK-ZDUSSCGKSA-N 360.360 2.966 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3cccnc3)C2)c2cccc(=O)n21 2356146669 PNJZDFLOEYWWTP-KSZLIROESA-N 351.450 2.773 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@]34CCCN(C(C)C)C4=O)c2n1 2356162512 DSDZPCWDCDLOCP-HXUWFJFHSA-N 355.486 2.712 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(Cl)cc2F)C1=O 2356164091 FEQNXYMOARTAOA-GOSISDBHSA-N 368.836 2.723 0 50 FFAA O=C(NCCCn1ccnc1)/C(=C\c1ccco1)NC(=O)c1cccs1 4756098 YLSLYBAFHUDSRB-NTCAYCPXSA-N 370.434 2.515 0 50 FFAA Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 6703009 YXWWFKGKDPZROL-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccccc1C)C2 20600289 DAYDRWLKGZVFEV-KRWDZBQOSA-N 354.498 2.950 0 50 FFAA CC(C)Cc1nnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741080 XYTGHGUCACRIKY-GFCCVEGCSA-N 352.504 2.960 0 50 FFAA Cc1nc(NCCNC(=O)Nc2cccc(C)c2C)cc(-n2cccn2)n1 65365424 LENYZWVEJARMCF-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA O=C1CC2(CCCCC2)CN1[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23380087 STEXYZPFQWLPIU-UXHICEINSA-N 354.494 2.906 0 50 FFAA Cn1ccc2c(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cccc21 62001584 YKPPMNNZEVFUJE-ZVZYQTTQSA-N 372.494 2.843 0 50 FFAA biogenic CN(C[C@@H](O)COc1ccccc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 252569019 VTZVLKQNHIIZNC-SJLPKXTDSA-N 364.486 2.661 0 50 FFAA CCc1cnc(C)nc1N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 65385796 NAIXSCSPIWDPJC-UHFFFAOYSA-N 352.442 2.653 0 50 FFAA O[C@@]1(CN2CCN(C/C=C/c3ccccc3)CC2)CCCN2CCCC[C@@H]21 63884336 ACUFQCDJRTZTIW-GQILONLLSA-N 369.553 2.697 0 50 FFAA COc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nn1 282620073 ZTZQDMGCONDANW-IUODEOHRSA-N 353.344 2.812 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F 4124141 GFNDHAGOPMTEQE-ZDUSSCGKSA-N 354.687 2.769 0 50 FFAA Cc1cc(C)n2ncc(CN(Cc3ccccn3)C[C@H]3CCCO3)c2n1 215228136 TVVCEFAPWQPJRR-LJQANCHMSA-N 351.454 2.922 0 50 FFAA COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(-c2nc[nH]n2)c1 363645050 BKDXDDFVHNTSBB-UHFFFAOYSA-N 350.378 2.864 0 50 FFAA CCc1cc(N2CCC(c3cc(=O)[nH]c(C)n3)CC2)n2nc(C)c(C)c2n1 72454313 YOXZQPQOWOZDMS-UHFFFAOYSA-N 366.469 2.684 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)c2ccccc2-c2nnn[nH]2)CC1 77440457 ZEYPGKAINZKMSX-UHFFFAOYSA-N 363.421 2.859 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)c1C 72145322 DRGHBVQZFCFTQM-OAQYLSRUSA-N 366.465 2.752 0 50 FFAA C[C@@H](O)CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 71753176 IODDXPCVXWDHCF-CQSZACIVSA-N 364.515 2.615 0 50 FFAA CCc1nnc(O)c(C(=O)N2CCC(c3noc(C4CC4)n3)CC2)c1CC 372074218 SWDVSVFWCVQKBP-UHFFFAOYSA-N 371.441 2.587 0 50 FFAA Cc1cccc2nc(CCC(=O)N3CC(O)(c4ccc(F)cc4)C3)[nH]c12 375015185 HYVWAAQYJRVWDO-UHFFFAOYSA-N 353.397 2.673 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)sc2C1 241171042 KDUNNTHMDUZMCJ-ZYSBLVPFSA-N 351.497 2.660 0 50 FFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)s1 263075262 AVNJBPFVZOTMFA-QWHCGFSZSA-N 359.403 2.637 0 50 FFAA CCCc1cncnc1N1CCN(Cc2ccccc2F)[C@H](CCO)C1 72432511 YVDWXCYXNAULSE-GOSISDBHSA-N 358.461 2.641 0 50 FFAA Cc1ccc(OC2(C(=O)N[C@H](C)Cn3nc(C)cc3C)CCNCC2)cc1 77455730 QOWWNTACUUIGHV-QGZVFWFLSA-N 370.497 2.514 0 50 FFAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 286946503 FIPIUIHHCDZXOE-CMPLNLGQSA-N 367.291 2.748 0 50 FFAA Cc1ccc([C@H](NC(=O)CN(C)C2CCN(C)CC2)c2ccncc2)cc1 221327330 GTNLZHVMSIYLGN-QFIPXVFZSA-N 366.509 2.622 0 50 FFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NC2CCCCCC2)n1 44902958 WZBIWUVNSTWCRG-UHFFFAOYSA-N 373.428 2.897 0 50 FFAA CC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21 137302095 VRDUDBDQAGEVGG-BSDSXHPESA-N 352.434 2.568 0 50 FFAA CC(C)Cc1cc(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)on1 220071981 RUFKJJJWLKOTEV-UHFFFAOYSA-N 356.470 2.555 0 50 FFAA Cc1ccc(CCC(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)cc1 222560802 TWZUAVRJXQIXHH-NHCUHLMSSA-N 369.461 2.773 0 50 FFAA COc1ccc2[nH]c(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 426504622 QSNZOXPDRXZRAQ-CYBMUJFWSA-N 353.426 2.989 0 50 FFAA COc1ccc(N(C)C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)cc1 149005783 HMOUYQAWQRCQLQ-UHFFFAOYSA-N 350.374 2.548 0 50 FFAA COCCc1nc(CNC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)no1 91574625 JMLJYYCVLGQXTQ-UHFFFAOYSA-N 356.426 2.524 0 50 FFAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@@H]2C(=O)O)cs1 237696846 GNBNWSLPRQTNTO-QGZVFWFLSA-N 371.462 2.557 0 50 FFAA COC[C@H](NC(=O)Nc1ccccc1-n1nc(C)cc1C)c1ccnn1C 96160261 LGLNGJJIXANQJK-INIZCTEOSA-N 368.441 2.732 0 50 FFAA CCN1CC2(CCN(c3cc(N)ncn3)CC2)C[C@H](c2ccccc2)C1=O 91986806 NPHCNETYNZMROV-QGZVFWFLSA-N 365.481 2.681 0 50 FFAA CSCC[C@H](O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 95392930 BVAKZOYQHKNWMR-AWEZNQCLSA-N 363.310 2.756 0 50 FFAA CNc1nc(C)cc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 91707289 BLIFBHBGYCCIIX-UHFFFAOYSA-N 357.502 2.978 0 50 FFAA Cc1ccc2[nH]c(CN3CCNC(=O)[C@@H]3c3cccc(F)c3)cc(=O)c2c1 91829069 HRASLOKCTMOBDV-FQEVSTJZSA-N 365.408 2.649 0 50 FFAA CCNC(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)nc1 91678576 GBDOYXIDYJAUQB-UYAOXDASSA-N 364.493 2.932 0 50 FFAA CCCN1CCC[C@]2(CCN(C(=O)Cn3c(C)nc4ccccc43)C2)C1=O 91416731 MNLMXRJVMXKHGD-OAQYLSRUSA-N 368.481 2.596 0 50 FFAA Cc1nc([C@H](C)N(C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)s1 244787605 QAFXHMSWAIWOOX-JTQLQIEISA-N 373.482 2.951 0 50 FFAA CN(C)C(=O)c1cc2c(s1)CCN(C[C@@H]1COc3ccccc3O1)C2 244874615 XEKKYCPJGOIJDY-CQSZACIVSA-N 358.463 2.648 0 50 FFAA O=C(N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1)c1cc(C2CC2)no1 244866495 VXBSBXCSLYJXJZ-OKILXGFUSA-N 353.426 2.618 0 50 FFAA Cc1cnc(-c2cccc(C(=O)N(C)Cc3cnccn3)c2)nc1N(C)C 299769762 ULRVVFSJFZHJFG-UHFFFAOYSA-N 362.437 2.580 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3ccncc3)[nH]n2)o1 97713482 VOGBUYDJAKPFGN-IBGZPJMESA-N 374.404 2.884 0 50 FFAA O=C(CCN1CCOCC1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 299790101 BBNHOPZGMZTPQQ-IBGZPJMESA-N 359.857 2.663 0 50 FFAA O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCC12CC3CC(CC(C3)C1)C2 102441020 PSUSGVBBKJCCDF-GLPCNKFJSA-N 372.509 2.884 0 50 FFAA CCC(CC)C(=O)N1CCC([C@]2(CCC(C)C)NC(=O)NC2=O)CC1 299770758 MKSIEAQZLQEDNF-IBGZPJMESA-N 351.491 2.676 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1 828157212 VFXDCKCIRHGLIN-UHFFFAOYSA-N 367.409 2.948 0 50 FFAA COc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)cc(Cl)c1OCC(C)C 269174684 JEBUUDZUWCXUOB-LLVKDONJSA-N 355.818 2.930 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cnc(O)c2ccccc12 670473479 SNUYEURFNCJOOM-CYBMUJFWSA-N 365.389 2.568 0 50 FFAA CCCN1CCN(C(=O)Cn2ncc3ncccc32)c2cc(F)ccc21 1875327893 OPUZSAWFPYBROP-UHFFFAOYSA-N 353.401 2.834 0 50 FFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cccc(Oc2ccccn2)c1 1875399988 ODWKJUVRJWYGQK-DFQSSKMNSA-N 364.449 3.000 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1OC 1875385792 BLNVZNSWDIMCFE-ROUUACIJSA-N 368.408 2.634 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)C1 1875374294 JGBYKQBWNZMIFW-NJAFHUGGSA-N 356.466 2.824 0 50 FFAA C=CC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c(c1)CCO2 1875385798 BQBBBPKSAKWSTG-CRAIPNDOSA-N 356.466 2.945 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4ccc(F)c(F)c4C3)nn(C)c21 1875403380 VCLSSELWNBLOHY-MNOVXSKESA-N 361.392 2.919 0 50 FFAA CCc1cc(C)c(C(=O)N2C[C@H](c3n[nH]c(COC)n3)[C@@H](C3CC3)C2)o1 952848724 SNZMUMSVQHVZGT-CABCVRRESA-N 358.442 2.681 0 50 FFAA O=C(OC[C@@H]1CCCN1)c1cccc(NC(=O)c2cc3cccnc3[nH]2)c1 1875294550 IPZBNJJAHUELJX-INIZCTEOSA-N 364.405 2.724 0 50 FFAA C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N=c2cc(-c3ccc(F)cc3)n(C)[nH]2)C1 1875297803 DMPYLZFTCUUJEB-ABAIWWIYSA-N 353.401 2.676 0 50 FFAA Cc1ccc(F)cc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccn1)C2 1565527619 UMYVHUBYNULETG-WBVHZDCISA-N 367.424 2.906 0 50 FFAA CCOc1c(CNC(=O)N(CC)[C@H]2CCCC[C@@H]2O)cccc1OC 1565509501 VNPJAIQFGWJDEX-HOTGVXAUSA-N 350.459 2.929 0 50 FFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccc(N2Cc3ccccc3C2)c1 1565509884 WAYVOFVWQWOTNX-PMACEKPBSA-N 352.434 2.741 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H](c3cnn(C)c3)C2)ncn1 275508809 BNFHGPBWDPWUCS-KNBMTAEXSA-N 370.501 2.820 0 50 FFAA CC(=O)Nc1nc(C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cs1 275902146 UJOGXZHADGVRCJ-UHFFFAOYSA-N 372.450 2.961 0 50 FFAA Cn1c(S)nnc1CNC(=O)c1ccc(C2SCCCS2)cc1 170623280 DMLCWPBAGVLAMJ-UHFFFAOYSA-N 366.537 2.903 0 50 FFAA O=C(O)c1c(NCCCN2CCOCC2)noc1-c1ccc(Cl)cc1 1704311093 XXOGSIBAQFVXEW-UHFFFAOYSA-N 365.817 2.827 0 50 FFAA CO[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H]1Cc1cc(C)no1 1704278428 ZCIUIBTUQYUTDB-CJNGLKHVSA-N 357.435 2.922 0 50 FFAA CCCOc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1Cl 1616078656 RFOXXDJOGUCNRB-YJBOKZPZSA-N 361.873 2.954 0 50 FFAA O=C(CCOc1ccccc1)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 1772710356 QARVGCBJEALVTP-GOSISDBHSA-N 356.466 2.873 0 50 FFAA CC(C)Oc1ccc(C(=O)N2CCCN(Cc3cnc(N)s3)CC2)cc1 1772808134 ZQAZDERYZHGGSG-UHFFFAOYSA-N 374.510 2.861 0 50 FFAA CO[C@@H](C(=O)N1CCC(=O)N(Cc2ccccc2F)CC1)c1ccccc1 12279484 SVDJJDAUYSVYKO-HXUWFJFHSA-N 370.424 2.774 0 50 FFAA CC[C@@]1(C(=O)N2CCCN(C)CC2)C[C@@H]2CC[C@H]1N2Cc1ccc(C)cn1 1857737993 MOCZIKCUPWIXSU-TUNNFDKTSA-N 370.541 2.687 0 50 FFAA O=C(C1CCOCC1)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 212825591 BPAQMVOGCZRFRR-UZLBHIALSA-N 354.494 2.503 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](N(C3CCC3)S(C)(=O)=O)CC2)cc1 328630979 JZQDJQUQMVVSNR-SFHVURJKSA-N 364.511 2.804 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)c(C)o1 328616132 BJVDVJAFBMXZGN-KRWDZBQOSA-N 356.426 2.500 0 50 FFAA CC(C)CC(=O)NCCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 128055997 VSNHVVUFOZPJJZ-MRXNPFEDSA-N 369.469 2.688 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cnc(O)c3ccccc23)CC1 242339376 ZHHRTWNGRFKHBX-UHFFFAOYSA-N 363.417 2.911 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)n1)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 847165590 SSSMRAFAEOLWMQ-QWHCGFSZSA-N 369.347 2.889 0 50 FFAA O=c1ccc(-c2nc(Cc3ccc4n[nH]cc4c3)no2)nn1-c1ccccc1 800116154 BUVPOLBGOCBWFE-UHFFFAOYSA-N 370.372 2.750 0 50 FFAA O=C(OCc1nc2cncnc2[nH]1)c1cccc(CN2CCCCC2)c1 2325752935 NUGHEEJRDCVQQW-UHFFFAOYSA-N 351.410 2.696 0 50 FFAA O=C(N[C@H]1c2ccccc2CC1(F)F)[C@@H]1CC(=O)N(c2nccs2)C1 2325796540 XCXLSAKQMAJXRX-RISCZKNCSA-N 363.389 2.545 0 50 FFAA O=C(COC1(c2ccccc2)CNC1)Nc1ccc(Cl)c2cn[nH]c12 2325856802 CWUOIKHCMXJNFI-UHFFFAOYSA-N 356.813 2.670 0 50 FFAA Oc1nc2ccc(NC[C@@H](O)COc3ccccc3OC(F)F)cc2o1 2325862536 XRVKBAGDIBWUNZ-LLVKDONJSA-N 366.320 2.987 0 50 FFAA O=C(N1CCN(c2ccc(Br)cc2)CC1)N1CC[C@H]1CF 2325868226 SSDLECISRCPBTG-AWEZNQCLSA-N 356.239 2.735 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 815595 BYUGJKBNWNPQBX-UHFFFAOYSA-N 365.389 2.841 0 50 FFAA COC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 1124018 OJKNUSIODIGQSB-OAHLLOKOSA-N 353.374 2.740 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2108827 NSGJNGNQTQMOBX-QVKFZJNVSA-N 371.433 2.634 0 50 FFAA biogenic C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 2850945 AHOXOIJPYTXWPE-VIFPVBQESA-N 374.796 2.924 0 50 FFAA O=S(=O)(c1ccc(NC(=S)NC2CCCC2)cc1)N1CCCC1 2852814 NLJKWSXRRUEOIQ-UHFFFAOYSA-N 353.513 2.700 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C 4760122 XISNUVNLGJKNIK-KBMXLJTQSA-N 364.442 2.553 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3ccon3)C2)cc1OC 20205352 XJXZEXYMFBUUGH-GOSISDBHSA-N 359.470 2.831 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)cc1Cl 9225495 ZPPBVQFXBQGLEF-IHRRRGAJSA-N 356.253 2.721 0 50 FFAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1cccc(-n2nnnc2C)c1 55211361 IXWWWHDQBLDYCB-GFCCVEGCSA-N 351.414 2.699 0 50 FFAA Cc1nn(C)c(C)c1CN(Cc1cc(C)n(-n2cnnc2)c1C)C(C)C 55568702 VSSOQGBZNBXFRU-UHFFFAOYSA-N 355.490 2.769 0 50 FFAA CCS(=O)(=O)NCc1nc(-c2ccc(C)cc2)c(-c2ccccn2)[nH]1 67947292 STEWEQZJGMGFKZ-UHFFFAOYSA-N 356.451 2.886 0 50 FFAA Cc1ccc(-c2cn(C[C@@H]3CCCN(c4cc(C)nc(N)n4)C3)nn2)cc1 65462350 ACQXCJUOEAYMHP-MRXNPFEDSA-N 363.469 2.851 0 50 FFAA CCC(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2ccccc21 22023383 MHZIAYIGLFNEFC-UHFFFAOYSA-N 363.465 2.905 0 50 FFAA Cc1cc(=O)oc2cc([C@H]3CC(=O)NCc4nc5ccccn5c43)ccc12 65398181 CNDUAXXMUCNTCI-OAHLLOKOSA-N 359.385 2.901 0 50 FFAA CCCN(CCOC)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 67974145 BDPXYCLZOMJUGT-UHFFFAOYSA-N 355.442 2.615 0 50 FFAA O=C(NCCc1ccc(F)cc1)N1CCN(CCOc2ccccc2)CC1 302890947 FHYFHCHEAKSFJI-UHFFFAOYSA-N 371.456 2.774 0 50 FFAA CCOc1ccccc1NC(=O)c1nc2n(n1)[C@H](C(F)F)C[C@H](C)N2 2770525 OTJSAQBFGVUCAE-ONGXEEELSA-N 351.357 2.939 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)[nH]n2)[C@@H]1c1cnn(C)c1 328615924 BENIBVKQQAJKOO-HNAYVOBHSA-N 372.517 2.812 0 50 FFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(Cc2ccc(OC)nc2)CC1 328652320 WIOMPIHWYZUJTO-KRWDZBQOSA-N 359.474 2.658 0 50 FFAA CO[C@H]1[C@H](NC(=O)c2ccnc(Cl)c2)c2ccccc2C12CCNCC2 72476794 RJUUWWZLRKYYFU-MSOLQXFVSA-N 371.868 2.856 0 50 FFAA CC(C)n1ncc2cc(S(=O)(=O)N3CCN(C)c4ccncc43)ccc21 330323805 TVCXBYIKAISNRH-UHFFFAOYSA-N 371.466 2.657 0 50 FFAA CC(C)C[C@@H](NC(=O)CN(Cc1cccnc1)c1ccccc1)C(=O)O 236770131 RPEPBYISIYRHLD-GOSISDBHSA-N 355.438 2.704 0 50 FFAA CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H](C(=O)O)C1 237019390 KXXCGFYKZOAGDK-QWHCGFSZSA-N 354.244 2.951 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3c[nH]c(C)cc3=O)C2)cc1 72478320 FNZUJHSKZQOMBJ-HNNXBMFYSA-N 356.422 2.623 0 50 FFAA c1cncc(Cc2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)c1 72126321 TWQDWEWHSXNYCD-UHFFFAOYSA-N 358.449 2.804 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)OC1=O 72425370 XQSBPTNLIVBYHO-AWEZNQCLSA-N 374.485 2.904 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)c2cccc3ccccc23)ncn1 72434270 URPBLYACXZHNNP-UHFFFAOYSA-N 372.432 2.966 0 50 FFAA CC(=O)CCc1ccc(OCC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1 174570015 NDVPUCGJTMPAKM-HXUWFJFHSA-N 372.509 2.921 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C1CCOCC1 238104970 LWCHWTCZLNNJBI-CABCVRRESA-N 371.355 2.901 0 50 FFAA CCn1c(C)ccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1=O 215099978 LNIFWUJQKJMKJJ-SFHVURJKSA-N 371.456 2.710 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[nH]1 82134587 TWJDMDNCDSKHQH-LBPRGKRZSA-N 369.450 2.550 0 50 FFAA COCCc1noc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 223188046 SCAQJXOKZIZQQN-CQSZACIVSA-N 368.437 2.689 0 50 FFAA CC(C)COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 226980301 CZMIHNXBPHHDAS-OLMMMNRUSA-N 361.825 2.826 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc2ncsc2c1 223535524 WENKQPLLYHHGRM-NVXWUHKLSA-N 369.446 2.795 0 50 FFAA Cc1noc(C)c1CCCNC(=O)[C@@H](C)c1nnc(O)c2ccccc12 426509961 GENBIDOWRFMKJP-NSHDSACASA-N 354.410 2.793 0 50 FFAA O=C(NCCn1cccn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 426490101 CZWJVIUGGNNSEE-QKNQBKEWSA-N 368.481 2.745 0 50 FFAA O=C(NCCc1nccc(-c2ccccc2)n1)c1ccccc1-n1cnnc1 426412404 QVWNZSWVCHQXMP-UHFFFAOYSA-N 370.416 2.697 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 82138400 FPHFAURJWGSJGL-QGZVFWFLSA-N 369.400 2.532 0 50 FFAA O=C(Nc1cccc(-n2cnnc2)c1)N1CCCC[C@H]1CN1CCCC1 426414665 PCKBBOWCBZRBHX-SFHVURJKSA-N 354.458 2.750 0 50 FFAA CCC[C@@H]1CN(C(=O)Nc2ccc(C(=O)OCC)cc2)C[C@H]1NC(C)=O 82137094 MCHMKCNMMVDWFM-NVXWUHKLSA-N 361.442 2.632 0 50 FFAA CCc1noc([C@H](C)NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 426697335 LZKWRMPYFFWLGN-JCVNQNCUSA-N 369.469 2.734 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)[nH]c2cc(F)ccc12 237979255 GHMIKGPMGGVJMS-HNHYXYPQSA-N 358.369 2.525 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 91410815 PYNWYTWEVAIYPL-INIZCTEOSA-N 356.466 2.684 0 50 FFAA CCCc1nnsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2=O 91586131 KGYDJAPFTYQZBK-UONOGXRCSA-N 362.499 2.520 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N(Cc1cocn1)Cc1cocn1 96132075 CLJGCIPWHMJWLV-UHFFFAOYSA-N 366.377 2.632 0 50 FFAA CCn1ncnc1[C@H](NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)C1CC1 91725508 AJNJRXOJIHOBLD-OAHLLOKOSA-N 356.455 2.939 0 50 FFAA Cc1ccccc1COC1CN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)C1 91664351 PAIBDTMKZPGYTD-KRWDZBQOSA-N 370.493 2.904 0 50 FFAA O=C(NCc1noc([C@H]2CCCO2)n1)Nc1ccnn1Cc1cccs1 95527626 QAXFTZQZBWXSIC-GFCCVEGCSA-N 374.426 2.549 0 50 FFAA Cc1cc(C)nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 92061699 DCUHMELQEYROEF-KRWDZBQOSA-N 366.465 2.886 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)on1 91594530 HIXQAFDTNUOZMH-UHFFFAOYSA-N 357.458 2.648 0 50 FFAA O=C1CC2(CCN(c3cnccn3)CC2)CN1Cc1ccc(F)c(F)c1 91871490 QGJYTLJLAMJWEX-UHFFFAOYSA-N 358.392 2.774 0 50 FFAA COc1ccccc1CN1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91425214 NQRKENJLABWQLV-NRFANRHFSA-N 358.482 2.689 0 50 FFAA O=C(c1ccnc(C[C@@H]2CCOc3ccccc3C2)c1)N1CCOCC1 95502631 CPOLWBGHWSNSMF-MRXNPFEDSA-N 352.434 2.738 0 50 FFAA O=C(NCCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C1CCNCC1 97698880 RYYGFGSEOFPOAU-KRWDZBQOSA-N 369.431 2.581 0 50 FFAA CS[C@H](C)CCN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91468489 YXKHHFDGDQEAIK-CQSZACIVSA-N 362.543 2.637 0 50 FFAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2c(C)noc2C)C3=O)c1 92081577 LLUSSDOHZKUQHL-ZWKOTPCHSA-N 367.449 2.863 0 50 FFAA O=C1CC2(CCN([C@@H]3CCCNC3)CC2)CN1Cc1ccc(F)c(F)c1 91593701 GFKICQLFGHACMG-MRXNPFEDSA-N 363.452 2.531 0 50 FFAA CCOC(=O)[C@H](C)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91725950 WYRVQVQLBKWJMA-SFHVURJKSA-N 372.509 2.885 0 50 FFAA Cc1nc(N2CCN(Cc3ccoc3)[C@H](CCO)C2)c2ccsc2n1 95374560 KKZQFVFZFOZUFZ-OAHLLOKOSA-N 358.467 2.666 0 50 FFAA CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(OC)c(F)c2C)o1 181700389 NFAFGKLNRIQIGV-CYBMUJFWSA-N 371.430 2.964 0 50 FFAA COCc1noc([C@@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 182513378 LDAODJLSTDXKOX-MNOVXSKESA-N 359.352 2.829 0 50 FFAA CSCC[C@H](CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 252496866 PTERJALMAVBRBF-MRXNPFEDSA-N 360.483 2.681 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)NCc1nc(COC)no1 534672607 PIPUDKWAULHQEG-UHFFFAOYSA-N 368.821 2.610 0 50 FFAA O[C@@H](CN1CCC(Nc2cccnn2)CC1)c1ccc(F)cc1Cl 185000332 GRKJWCCHTXMLSB-INIZCTEOSA-N 350.825 2.879 0 50 FFAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccn(C(F)F)n1 299782585 NGEQGWQYCRLUGO-OAHLLOKOSA-N 352.360 2.984 0 50 FFAA CCCCc1ccc(NC(=O)CCN2CCC3(CC2)CNC(=O)C3)cc1 299766984 GFKSZOGSTPUCIN-UHFFFAOYSA-N 357.498 2.960 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)no1 299802156 XQKDOTPPVOUZIK-UHFFFAOYSA-N 365.821 2.652 0 50 FFAA C[C@@H](CN)CNC(=O)c1cnn2c(-c3ccccc3)cc(C(F)F)nc12 1875287298 CPASCOPCYAZRKX-NSHDSACASA-N 359.380 2.659 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2c(C(=O)OC)ccc3ccccc23)CC1 1875382519 FBMUIYGAJSLPJK-UHFFFAOYSA-N 366.417 2.990 0 50 FFAA COc1ccc(C[C@H]2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)C2)cc1 1875318359 HELHNTMZFZQWFM-OAHLLOKOSA-N 350.422 2.980 0 50 FFAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N[C@@H]1CCC2(C1)OCCO2 1875318640 JZYMOBHKZDJVOZ-LLVKDONJSA-N 374.363 2.740 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H](Cn1ccnc1)c1ccccc1 952971901 RBTGTXNTLPYRRL-FQEVSTJZSA-N 363.465 2.975 0 50 FFAA O=S1(=O)CCCN1c1cccc(CNc2ncnc3ccc(F)cc23)c1 185409013 TWHOGFFMVZLAPH-UHFFFAOYSA-N 372.425 2.921 0 50 FFAA c1ccc(Cc2nnc3n2C[C@@H](N[C@@H]2CCOC4(CCC4)C2)CC3)cc1 888102503 BUAYOYJIOMJYJN-MSOLQXFVSA-N 352.482 2.875 0 50 FFAA COc1ccc(C[C@@H](C)NC(=O)c2cc3c(cn2)OCCC3)cc1OC 1337560370 NRVVCROKNXHJNH-CYBMUJFWSA-N 356.422 2.785 0 50 FFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 1565529637 ABVXVGSVHPOXPP-QKLQHJQFSA-N 362.477 2.984 0 50 FFAA Cc1noc(C)c1CC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275758130 WRHJYLKRABRBGA-MRXNPFEDSA-N 370.453 2.509 0 50 FFAA O=C(C1CC1)N1CCC[C@H](c2nc(-c3cccc(N4CCC4=O)c3)no2)C1 280920062 GFISMJBTXXGLGT-HNNXBMFYSA-N 366.421 2.589 0 50 FFAA CN1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 206259844 DPJSOXXGRRQIOX-NRFANRHFSA-N 366.417 2.684 0 50 FFAA O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1nc2cccnc2s1 193887175 WMXPSJPSWRIYDX-OAHLLOKOSA-N 366.446 2.785 0 50 FFAA Cn1nccc1C1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 195512755 IMJOFJGRAJCFCQ-KRWDZBQOSA-N 363.889 2.831 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1F 1704333537 AVFLOHRZXMOXMT-UHFFFAOYSA-N 350.413 2.519 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCN4CCCO4)C3)C2)c1 11717890 PGJKTKIKHRPULW-JOCHJYFZSA-N 371.525 2.837 0 50 FFAA CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N(C)C(C)C)C2 11880147 KNMPXMFQXUJMFH-WDEREUQCSA-N 351.472 2.740 0 50 FFAA Cc1ccc(C[C@@]2(CCC(=O)NCCc3ccccn3)CCC(=O)N2)cc1 11911058 FVUQCPZNAQBGCT-JOCHJYFZSA-N 365.477 2.720 0 50 FFAA CC(C)(CO)NC(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 12185693 FNDZMVUOLKFWOK-JOCHJYFZSA-N 368.477 2.698 0 50 FFAA Cc1ncoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12301107 ALNWOJVMRLOJRK-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA O=C(C1CCOCC1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12386055 AHMGJCYKEVUCNG-QFIPXVFZSA-N 356.510 2.970 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 12706452 AFRAGMLQSBRKIF-JOCHJYFZSA-N 365.477 2.757 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 14733616 SZXIFSUHZJWGNR-OAHLLOKOSA-N 356.470 2.688 0 50 FFAA CSc1nnc(-c2cc(Br)ccc2NC(C)=O)c(O)n1 15016215 REIFEIFMBGAFQB-UHFFFAOYSA-N 355.217 2.687 0 50 FFAA O=C(c1ccccc1-c1ccccc1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857710349 SCGHUURQVNVABF-KNQAVFIVSA-N 362.429 2.917 0 50 FFAA O[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)C[C@H]1Cc1ccncc1 1857735882 VGTJRPSAOLEHDV-APWZRJJASA-N 352.413 2.646 0 50 FFAA Cc1c[nH]ccc1=NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328646621 STJGMMQPOIAOSU-GJZGRUSLSA-N 362.474 2.950 0 50 FFAA Cc1nc([C@@H]2CCN(C(=O)c3cc(F)c(F)cc3Br)C2)n[nH]1 333983630 DTTAEWALEREXMY-MRVPVSSYSA-N 371.185 2.784 0 50 FFAA CCn1nc(C)c(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)c1C 249693141 NRCVTRPSTUPUJW-PXNSSMCTSA-N 355.438 2.583 0 50 FFAA O[C@@H](CNC[C@H](O)c1ccccc1F)c1cc(Cl)c2c(c1)OCCO2 843082204 IZXJSRYJQVYNMW-HOTGVXAUSA-N 367.804 2.607 0 50 FFAA O=C(NCc1cnc2n1CCCC2)[C@H](c1ccccc1)N1CCCCC1=O 375301749 HTTCYJVEXPQGAF-FQEVSTJZSA-N 366.465 2.589 0 50 FFAA CCCOc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cn1 264460409 RVIOEZUMTVTKIW-MRXNPFEDSA-N 371.437 2.775 0 50 FFAA O=S(=O)(Cc1cccc(Br)c1)c1nc2ncccc2[nH]1 2504098 GHWLVCIBSZURNO-UHFFFAOYSA-N 352.213 2.694 0 50 FFAA CC(C)n1cc(CNC[C@H](O)c2ccc(Cl)cc2Cl)c(O)nc1=O 2325771088 MEHNAALVHGVYAM-AWEZNQCLSA-N 372.252 2.660 0 50 FFAA O=C(CCc1ccccc1O)N1CCC[C@@H](n2c(O)nc3cccnc32)C1 2325810922 PZLGTDWDSBHSLA-OAHLLOKOSA-N 366.421 2.639 0 50 FFAA Cc1ncn(CCNC(=O)N=c2cc(C)n(-c3ccccc3Cl)[nH]2)c1C 2325857899 TWONZFCGEXUEEV-UHFFFAOYSA-N 372.860 2.891 0 50 FFAA Nn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl 645818 AJGLUXVBMWJNAF-UHFFFAOYSA-N 372.281 2.680 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)cc1 688169 UBDLRIHNDBCOCC-IBGZPJMESA-N 367.424 2.588 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 904600 PPZRPPUWVRYWQZ-CYBMUJFWSA-N 355.369 2.776 0 50 FFAA O=C(NC1CCN(c2cccnn2)CC1)c1ccc(-n2cccc2)c(F)c1 469950915 SBYMCLAAFLWVRE-UHFFFAOYSA-N 365.412 2.805 0 50 FFAA C[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 2966010 YBOBIMINEIDMNN-ZDUSSCGKSA-N 366.870 2.983 0 50 FFAA NC(=O)COc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 55098870 SXYSOVIEUMJARQ-GOSISDBHSA-N 352.434 2.788 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)nn(C)c1=O 67965963 XVZCYEFEGPGMJD-CYBMUJFWSA-N 352.841 2.774 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c(C)n1 23359022 KJHJAYWULBKDKI-QFIPXVFZSA-N 370.541 2.979 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(N[C@H](C)c4ncn[nH]4)n3)cn2)cc1 23231945 XWYWUNMWKFZOOI-GFCCVEGCSA-N 362.397 2.629 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1nnc(O)c2ccccc12 409414252 JOESMOONTSNGKT-KXBFYZLASA-N 368.481 2.601 0 50 FFAA CCCNS(=O)(=O)c1ccc(-c2nc(CCc3ccccc3)n[nH]2)cc1 67947439 YEGVQXNCRNKGPW-UHFFFAOYSA-N 370.478 2.945 0 50 FFAA Cc1ccc2nc3c(n2c1)[C@@H](c1cccc(-n2cccn2)c1)CC(=O)NC3 65526672 NLNNKJWWNJEFQE-QGZVFWFLSA-N 357.417 2.980 0 50 FFAA CC(=O)N[C@H](C)CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67712818 HRDJYDOOCPJSRC-CQSZACIVSA-N 354.454 2.697 0 50 FFAA Cn1cc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cn1 2803860 NXULLKAJYZRMNT-UHFFFAOYSA-N 367.434 2.619 0 50 FFAA CSCCCN1C(=O)CC[C@H]2CN(Cc3c(C)n[nH]c3C)CC[C@H]21 72469525 UFDBAHCODPRJBD-DOTOQJQBSA-N 350.532 2.593 0 50 FFAA CCCOc1nc(C(=O)N2CCOC[C@@]23CCOC3)cc2ccccc12 328698290 HONPVKFBLPHXJB-FQEVSTJZSA-N 356.422 2.655 0 50 FFAA O=C(Cc1nc(CN2CC[C@]3(CCOC3)C2)cs1)Nc1ccccc1 153724152 NVYREPNAOFMVAB-IBGZPJMESA-N 357.479 2.937 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328656741 ZQLIHGZVXXTKEN-INIZCTEOSA-N 371.485 2.788 0 50 FFAA O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1ccncc1Cl 328644841 ZLIATIFLNPQDHO-VIFPVBQESA-N 358.751 2.943 0 50 FFAA O=C([C@H]1CCc2ccccc21)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 328893146 UHRSRBCRSMJEAY-VQTJNVASSA-N 374.444 2.897 0 50 FFAA O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ccc3nncn3n2)C1 32101470 MXLCNPRZGUSQQL-GFCCVEGCSA-N 356.817 2.633 0 50 FFAA O=C(Nc1ccccc1N1CCCCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 363392204 FEXMQEKHJFEEPT-UXHICEINSA-N 372.513 2.740 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72438563 LCPNAALZBOTGRD-KRWDZBQOSA-N 356.470 2.538 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1CCN(CC2CC2)[C@H](CCO)C1 77320038 IOUMGKNTPIMYMG-LJQANCHMSA-N 364.917 2.968 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 365581878 JGNZBIMMYDKBBW-OAHLLOKOSA-N 370.449 2.989 0 50 FFAA O=C1OC2(CCN([C@H]3CCCOC3)CC2)CN1CCOc1ccccc1 72474471 ANQXRTMFKRMGMU-KRWDZBQOSA-N 360.454 2.531 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1CCC([C@@H](O)c2ccccn2)CC1 216063211 NJDTXVCEVSRHQK-LJQANCHMSA-N 372.490 2.752 0 50 FFAA CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nccs3)n2)cc1 71283381 RHUHYZFQUAOHCF-UHFFFAOYSA-N 358.448 2.727 0 50 FFAA CN1CCC([C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4F)c3)C2)CC1 372853633 DQYBNKSVCHASKU-OAHLLOKOSA-N 372.448 2.602 0 50 FFAA C[C@@H](CC(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1)c1ccccc1 71767617 RRDFXHICQWGJGK-HNNXBMFYSA-N 374.444 2.910 0 50 FFAA CCc1cc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc(C)n1 71762500 AWTZJFQCCGUXGR-OAHLLOKOSA-N 364.453 2.605 0 50 FFAA Cc1cc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)ccc1Cl 215526450 ARBMYZJSANZSRY-OAHLLOKOSA-N 350.890 2.957 0 50 FFAA O=C(O)C[C@H]1CCCN1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 262849263 CYFYECTWJGTZLP-QGZVFWFLSA-N 358.438 2.572 0 50 FFAA CC[C@H]1CN(C(=O)c2c(Cl)cnn2C)CCC(=O)N1Cc1ccccc1 71551760 SVJLBWORMLYAOW-HNNXBMFYSA-N 374.872 2.727 0 50 FFAA Cc1ccc2ncccc2c1CNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1 216489049 GKQYYWBWOMCSRO-UHFFFAOYSA-N 358.401 2.952 0 50 FFAA C[C@H](NC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1nnnn1C1CC1 242100078 WEFJXTWXCSRQJM-JTQLQIEISA-N 373.848 2.746 0 50 FFAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)COc3ccc(Cl)cc3)C2)c1 72168915 QKEAYGNYVLPDQM-OAHLLOKOSA-N 372.852 2.909 0 50 FFAA COc1ncccc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286263135 NGGKXVPUDNGMJX-UONOGXRCSA-N 358.398 2.692 0 50 FFAA COCCCN1C[C@@]2(CCCN(c3ccc(C(C)=O)cn3)C2)CCC1=O 72421655 ITMUVBFUYDWEDT-FQEVSTJZSA-N 359.470 2.530 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1ccccn1 82115049 WJXIKLDVFVTUPB-CQSZACIVSA-N 357.841 2.932 0 50 FFAA Cc1nc2cc(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)ccc2s1 223913869 NQOOYSGDCJQDQZ-JDFRZJQESA-N 356.451 2.580 0 50 FFAA O=C(O)c1ccnc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1 263412240 MSJMWAQCFQWLTQ-OAHLLOKOSA-N 354.362 2.528 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)n(C)n1 82114708 XBQVOQPHUUHZIA-HNNXBMFYSA-N 354.454 2.749 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1C 19229490 DLNCQTVLRRVEQR-FQEVSTJZSA-N 356.514 2.589 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(CC)cc3)C[C@@]23C=C[C@H]1O3 226888307 DSFJYNNUZMGTJH-IKVWTGGYSA-N 355.434 2.879 0 50 FFAA CCN(CCN(C)C)C(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1 426574730 MJMQIROKNNHGMF-HNNXBMFYSA-N 359.474 2.535 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc(Cl)cc1C)CC2 426411558 UYRLMWIDJBRQOK-VDZJLULYSA-N 367.873 2.810 0 50 FFAA Cc1nc(N2CCCC2)nc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)c1C 426689092 CVAAJNMFMSABAT-SFHVURJKSA-N 366.465 2.879 0 50 FFAA COc1cc(C(=O)N2CCN(C3CCSCC3)CC2)c2ccccc2n1 97099158 AZNOFGHMMJYCBG-UHFFFAOYSA-N 371.506 2.897 0 50 FFAA COC(=O)COc1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1 96152439 VYLKAVQNXSGHQN-KRWDZBQOSA-N 354.406 2.917 0 50 FFAA O=C(NCC[C@H]1CCN(Cc2ccccc2)C1)NCC1(O)CCCCC1 426529508 WZENMUVDTKTNCB-IBGZPJMESA-N 359.514 2.893 0 50 FFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 239235869 WXAFAADAKBTLSM-NVXWUHKLSA-N 366.483 2.757 0 50 FFAA CCCc1cc(C(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)[nH]n1 91440076 WNHYZKNBUDMEGC-UHFFFAOYSA-N 368.481 2.839 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(-c2nc[nH]n2)cc1 91966431 BQJBCIXWPXXSOL-UHFFFAOYSA-N 360.377 2.794 0 50 FFAA Cc1ccc(SCCCNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)cc1 248029936 PRVYFTMVTFUAOC-IYBDPMFKSA-N 373.526 2.941 0 50 FFAA CN(Cc1nc2c(s1)CCCC2)Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 244633504 GEEHZNJOAIRRDA-JOCQHMNTSA-N 372.542 2.785 0 50 FFAA CCN(CCOc1ccccc1C(=O)O)Cc1ccc(C(=O)N(C)C)cc1 183921575 GJMALONRJQDQTO-UHFFFAOYSA-N 370.449 2.988 0 50 FFAA COc1ccc(-c2cc(C(=O)N[C@@H](CO)c3ccccc3)n[nH]2)cc1OC 252509839 YWPPSDZYWPPNCQ-KRWDZBQOSA-N 367.405 2.557 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cc(F)c(F)c(O)c1F 185267934 PTBZQUNNZFHIMT-UHFFFAOYSA-N 365.355 2.599 0 50 FFAA CCCN1C[C@@H](NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1=O 534584537 OTCASUKSYDTKLS-INIZCTEOSA-N 372.494 2.866 0 50 FFAA CC[C@H]1CN(C(=O)c2csc(NC(C)=O)n2)CCN1Cc1ccccc1 185348764 FOKZXHRATGVKLC-INIZCTEOSA-N 372.494 2.838 0 50 FFAA CN1CCC[C@@H](CCNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 459270306 UYKSGNWSWGLMPP-JLXBBBJOSA-N 370.541 2.759 0 50 FFAA CCCN(Cc1cccnc1)C(=O)CCN1C(=O)COc2ccccc21 55371404 PSPAWWWJGUGTAT-UHFFFAOYSA-N 353.422 2.636 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 299754386 FVJVSEYHFXJTPQ-WMZOPIPTSA-N 355.486 2.547 0 50 FFAA biogenic CCN(CC)C(=O)c1cn(C2CCN(C(=O)C3CCCCC3)CC2)nn1 299784814 PCEOURKFHXCCHZ-UHFFFAOYSA-N 361.490 2.504 0 50 FFAA Cn1nc(-c2cccnc2)cc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 299796679 NYNPGERGJKZYBZ-INIZCTEOSA-N 367.457 2.915 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)c(OC)n1 824640919 SERSELHVNSLKLJ-CYBMUJFWSA-N 358.394 2.909 0 50 FFAA COc1ccc2nc(CCNC(=O)c3c(C)[nH]c(C(C)=O)c3C)[nH]c2c1 824757800 ILZMYJKNPPFFNU-UHFFFAOYSA-N 354.410 2.692 0 50 FFAA COc1ccc2c(c1)cc(C(=O)Nc1cccc(-n3nnnc3C)c1)n2C 824758425 COMLVGCXCVRLNX-UHFFFAOYSA-N 362.393 2.723 0 50 FFAA CCc1nccn1CCCNC(=O)[C@@H](C)Nc1ncnc2ccc(C)cc12 823557294 JWRKKMBKVQDDNE-OAHLLOKOSA-N 366.469 2.704 0 50 FFAA O=C1C[C@@H](c2ccccn2)NC(=O)N1C[C@H]1CCCN1c1ccccc1 1875278739 AIOMYVQGDLARTB-AEFFLSMTSA-N 350.422 2.734 0 50 FFAA COc1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c(OC)c1 1875288468 GKNGYMJUVJSMLP-NWDGAFQWSA-N 359.426 2.721 0 50 FFAA CCn1nc(C(=O)N2CCC(CC)(N(C)C)CC2)c2c1[C@H](C)O[C@H](C)C2 1875299977 FMUPVBLPAVQCMW-CABCVRRESA-N 362.518 2.872 0 50 FFAA O=C(Cc1ccc2nc(O)[nH]c2c1)N1CC[C@@H](Oc2ccccc2F)C1 1875274543 HIFUWKIZQNOBGB-CYBMUJFWSA-N 355.369 2.630 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1)c1ccn(-c2ccc(F)c(F)c2)n1 1875333320 OERKMRRLSNGWFZ-INIZCTEOSA-N 357.316 2.706 0 50 FFAA C[C@@]1(c2ccc(C(=O)N3CCCC[C@H]3CCn3ccnn3)cc2)CCO1 1875318036 BDJJJJBQFXRCKT-ICSRJNTNSA-N 354.454 2.999 0 50 FFAA CC(C)(C)c1csc(CC2CCN(c3nccn4nnnc34)CC2)n1 874434657 ZBPXLPPKIUDCJL-UHFFFAOYSA-N 357.487 2.732 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C)n1 952989831 IQHOUENJSDBOKK-INIZCTEOSA-N 369.425 2.513 0 50 FFAA O[C@H]1CN(Cc2csc(-c3ccccc3)n2)CC[C@@H]1Nc1ncccn1 1565514044 KNCMFQUKNMVRQF-IRXDYDNUSA-N 367.478 2.647 0 50 FFAA Cc1ccc(C)c(CC(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)c1 1565514862 JWGRZDCLJYQCPE-AVRDEDQJSA-N 365.429 2.935 0 50 FFAA O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc2c(cn1)OCCC2 1320110438 VDYDGTCSOVIKAS-GOSISDBHSA-N 351.450 2.801 0 50 FFAA CC1(C)COC(=O)[C@H]1OC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 170617256 SRFPARPPSDXNOX-CYBMUJFWSA-N 368.311 3.000 0 50 FFAA CC(C)(C)OC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 408526010 ZLWKZKHBGRZVSX-UHFFFAOYSA-N 372.387 2.805 0 50 FFAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cnn(-c2ccc(F)cc2)n1 190188888 SXRSJQUFOJWQIJ-KXBFYZLASA-N 366.396 2.914 0 50 FFAA c1ccc(CN2CCCO[C@@H](CNCc3ccc4cn[nH]c4c3)C2)cc1 192354776 YLAGAKMFPLIEAP-FQEVSTJZSA-N 350.466 2.944 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2cc(N3CCCCC3)ccc2Cl)C[C@@H]1O 222152955 ZWUQTOITBXIWNZ-HKUYNNGSSA-N 366.889 2.678 0 50 FFAA C[C@H]1CN(CCCNc2noc(-c3ccccc3)c2C(=O)O)C[C@@H](C)O1 1704308560 FCZSNUKPCWEWAO-OKILXGFUSA-N 359.426 2.951 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@H]2CNC[C@@]2(CCc2ccccc2)C1 1772710546 XMADLERSHIWULY-QRWLVFNGSA-N 357.404 2.654 0 50 FFAA CCOC(=O)C1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 5014646 KSKIURLXBWMYGP-IBGZPJMESA-N 357.450 2.855 0 50 FFAA COc1cccc(CC2(CO)CCN(C(=O)[C@H]3CC(C(C)C)=NO3)CC2)c1 12201696 UPWCUPPZODKTRK-LJQANCHMSA-N 374.481 2.640 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(CCO)Cc3ccccc3)n2)cc1 12203360 NEOGENVLLQWCLY-UHFFFAOYSA-N 367.405 2.518 0 50 FFAA Cn1cc(/C=C/C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 12713835 SELYFHRKUHPOMS-YOCVDRLZSA-N 358.873 2.868 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nn1C 12747396 GXHFCFOVDQPLFQ-MRXNPFEDSA-N 371.391 3.000 0 50 FFAA CSc1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc1 15078305 AMCFYBVEVQCKQX-QGZVFWFLSA-N 354.475 2.982 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1OC 19787464 DLQYCSMFDKIWSP-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N(C)CCc1ccccn1 1857670532 SMHKOYCFWDGUSK-UHFFFAOYSA-N 353.451 2.872 0 50 FFAA NC(=O)[C@H]1CCCN(CCCn2ccnc2-c2cccc3ncccc23)C1 1857687899 KXXGHBLMJJMVBA-INIZCTEOSA-N 363.465 2.686 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 119726465 IMSDBLKGECUDFF-PBHICJAKSA-N 364.490 2.711 0 50 FFAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC(CCc3ccccc3)=NO2)CC1 11911395 VQYSOPUWMFVRAF-GOSISDBHSA-N 373.453 2.501 0 50 FFAA Cc1nc(C(=O)N[C@H]2CC[C@@H](CO)CC2)nn1-c1ccccc1C(C)C 151774155 VNEDHOGZGLJIGY-WKILWMFISA-N 356.470 2.980 0 50 FFAA CC(C)n1cnnc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 264623216 OSBSJHAUKXGFAA-KRWDZBQOSA-N 354.454 2.743 0 50 FFAA CN(C)C(=O)CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760034 UNSLEBNRFGECEM-UHFFFAOYSA-N 364.449 2.576 0 50 FFAA COc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC 1061446 NNMBZIUFWIUWEE-UHFFFAOYSA-N 358.423 2.733 0 50 FFAA COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c1 1230633 GTVMVQFZEJEDKO-UHFFFAOYSA-N 350.802 2.513 0 50 FFAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(=O)OC 4840466 NEKDGNOOLABZLP-UHFFFAOYSA-N 357.362 2.702 0 50 FFAA COC(=O)c1ccccc1N(C)C(=O)c1nc(SC)ncc1Cl 6697290 OGHWINUCXOBRCS-UHFFFAOYSA-N 351.815 2.915 0 50 FFAA O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)s1)c1ccccc1 9426440 BFOFGOZWLMMJCJ-UHFFFAOYSA-N 359.432 2.764 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@@]3(C)C[C@H]4CC[C@H]3O4)C2)c1 249475070 JILLLGLYCMHPBB-SSOMFZRPSA-N 374.481 2.604 0 50 FFAA Cc1sc2nc(CCNC3CSCCSC3)[nH]c(=O)c2c1C 67834194 WVZYNIIZXYUTQE-UHFFFAOYSA-N 355.554 2.582 0 50 FFAA CCC(CC)C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 67642292 GAEKLYHIGCBEMR-UHFFFAOYSA-N 367.497 2.856 0 50 FFAA CCCCn1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n[nH]c1=O 229600887 QIFMACQTILSXQW-FHSNZYRGSA-N 366.531 2.795 0 50 FFAA Cn1cnnc1-c1cccc(NC(=O)c2cnc(-c3ncccn3)s2)c1 121683385 XIMXJVXCHIVDGX-UHFFFAOYSA-N 363.406 2.648 0 50 FFAA COc1ccc(-c2nc(CN3[C@H]4CC[C@@H]3CCNC4)c(C)o2)cc1OC 67935448 DQBAVUXWIRUTLJ-CVEARBPZSA-N 357.454 2.994 0 50 FFAA Cc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 4165654 MPRBGIRZFNZQBW-UHFFFAOYSA-N 359.389 2.529 0 50 FFAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 332949197 TWRPPQZONJDCEM-SAJDGTNDSA-N 374.481 2.805 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1CC1CCNCC1 72407992 SYGATBZQFZKTHL-AZUAARDMSA-N 359.489 2.638 0 50 FFAA O=C(Nc1ccccc1N1CCCCC1)N1CCN([C@H]2CCC[C@H]2O)CC1 363392205 FEXMQEKHJFEEPT-VQTJNVASSA-N 372.513 2.740 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O 77555496 JQDHXPVQXLBPDH-UHFFFAOYSA-N 374.485 2.762 0 50 FFAA Cc1nonc1[C@H]1CCCN1C(=O)c1cn(C/C=C/c2ccccc2)nn1 72147385 ROWFTZXHWKINEU-HFTQHKIXSA-N 364.409 2.660 0 50 FFAA Cn1cnnc1SCC(=O)N1CCCC[C@@H]1CCc1cccc(O)c1 219349517 MXMPBAXYLWPQRG-OAHLLOKOSA-N 360.483 2.627 0 50 FFAA COCCN1C[C@]2(CCCN(c3noc(-c4ccccc4)n3)C2)CCC1=O 77355820 PARGLZRUQKPDDE-FQEVSTJZSA-N 370.453 2.592 0 50 FFAA COc1nccnc1N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72475138 HSNLSFGNQRAFKF-NRFANRHFSA-N 366.465 2.894 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)c2c1 237459832 YOPPYUAEIJQPPM-LJQANCHMSA-N 364.401 2.757 0 50 FFAA Cc1c(CNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cnn1C 378557874 KGTXWJDNTPWULJ-INIZCTEOSA-N 365.441 2.560 0 50 FFAA Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(O)c1)CC(=O)N2 32094004 OELLYYZJMUSATH-LBPRGKRZSA-N 355.785 2.804 0 50 FFAA CCCc1nc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)cs1 262116251 LHQPELUOWLRYEL-MRXNPFEDSA-N 359.543 2.973 0 50 FFAA O=C(Nc1cc(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)ccn1)C1CC1 376142181 PLTSRFUTSOUDPS-KRWDZBQOSA-N 369.396 2.863 0 50 FFAA NC(=O)Nc1cccc(NCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 158714118 KOZVMZLEGCTFBY-UHFFFAOYSA-N 365.393 2.951 0 50 FFAA O[C@@]1(CN2CCCC2)COCCN(c2nc3ccc(Cl)cc3s2)C1 77565096 GFGNLZMZWKMQPU-QGZVFWFLSA-N 367.902 2.613 0 50 FFAA CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1ccccc1 240244194 DKTQTXSHRGRCCF-CLCXKQKWSA-N 371.481 2.836 0 50 FFAA C[C@H](CO[C@H]1CCOC1)NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 246126315 APUXTMVCVQHMOQ-HFTRVMKXSA-N 350.434 2.594 0 50 FFAA CCCN1CC2(CCN(Cc3cc(O)ccc3OC)CC2)C[C@H]1C(=O)O 72469865 YNCVISMLGFGFSO-KRWDZBQOSA-N 362.470 2.552 0 50 FFAA Cc1c([C@H](NC(=O)Cn2cc(C(=O)O)nn2)C(C)C)oc2ccccc12 263370746 YAMXFDNFVWGHCH-MRXNPFEDSA-N 356.382 2.544 0 50 FFAA O=C(N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)C1(Cn2cccn2)CC1 82100179 JXWBJQOWDOMQPL-UHFFFAOYSA-N 368.525 2.776 0 50 FFAA O=C1CCCCCN1CCC(=O)N1CC(Oc2ccccc2Cl)C1 82126475 HSKVYVIHHGFRTE-UHFFFAOYSA-N 350.846 2.722 0 50 FFAA O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 41128099 KQKYGRDZQXVQHU-QUCCMNQESA-N 364.445 2.549 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2[nH]ccc2c1 220040361 HFXGFKTXIYQEJF-RTBURBONSA-N 351.406 2.667 0 50 FFAA CO[C@@H](C)c1noc(CN2CCC(NC(=O)Nc3ccccc3)CC2)n1 177660933 YCQICJLXEHQLCO-ZDUSSCGKSA-N 359.430 2.563 0 50 FFAA CCC(CC)c1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 47988787 IVSIYNYMZXSZBC-LBPRGKRZSA-N 353.492 2.774 0 50 FFAA CCc1c(C)nn(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1C 82138264 KLUMFNPXEOMTEC-UHFFFAOYSA-N 374.872 2.591 0 50 FFAA CCc1cccc(C)c1N1C[C@H](C(=O)NCCc2c(C)n[nH]c2C)CC1=O 221354766 TYCWAHIXAVLOAX-QGZVFWFLSA-N 368.481 2.609 0 50 FFAA CC1=C(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)SC2=NCCN21 222881044 IRNXOBXCLQRECA-MRXNPFEDSA-N 357.479 2.844 0 50 FFAA CNC(=O)c1cc(NC(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1OC 426394774 YXKRZVCYXSRFSM-MRXNPFEDSA-N 374.485 2.537 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2ccccc2CO)cc1 426573002 DKBZKLAAODJCOP-AWEZNQCLSA-N 350.422 2.948 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c(C)o1 91636676 NZSGRZHDCSMNEQ-DZGCQCFKSA-N 359.451 2.616 0 50 FFAA CCCc1ccc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)o1 91380778 PBDPTROQPASQQO-INIZCTEOSA-N 368.485 2.985 0 50 FFAA CSc1cccc([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95386395 ALLIEZXCALBQQT-SFHVURJKSA-N 357.479 2.747 0 50 FFAA CCN(CC)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91737484 ZCNABIORIBZIDB-UHFFFAOYSA-N 358.486 2.748 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Nc1cc(-n2cnnc2)ccc1F 96153763 FZBXZLFSNFGMJA-UHFFFAOYSA-N 371.420 2.843 0 50 FFAA C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239402652 QWRNWBJUEJNSTO-HENZOVJNSA-N 370.836 2.720 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)NCCCc3ccc(O)cc3)cc2N(C)C1=O 426517562 JTGRXZRTGZMLAY-CYBMUJFWSA-N 369.421 2.890 0 50 FFAA CN(C)[C@H](C(=O)NCCN1CCCc2ccccc21)c1ccccc1F 95388965 LIXGRVDFCOZAKP-FQEVSTJZSA-N 355.457 2.997 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)c1 91526579 HVVBBPSNPVVLNH-QGZVFWFLSA-N 363.454 2.880 0 50 FFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCC(N2CCSCC2)CC1 97757958 ANRJREVEGZKYNF-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA COc1ccccc1CN1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 92065058 ATPPFBHKLTWSMP-IBGZPJMESA-N 371.525 2.604 0 50 FFAA COCCN(C)C[C@@H]1CN(c2cc(C)c3ccc(C)c(C)c3n2)C[C@@H]1CO 91782403 URUFUHSLDWTEFU-RTBURBONSA-N 371.525 2.783 0 50 FFAA Cc1cc(C)c(-n2cccn2)c(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1 97347530 IUZPNELUVZYVBB-QGZVFWFLSA-N 361.511 2.746 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H](c1ccccc1F)N(C)C)C1CC1 95355880 MBCFYSFMFOZVLY-LJQANCHMSA-N 358.461 2.970 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2c(-c3ccccc3)c(C)nn2C)n1 95502342 KSWXFAVUOIEHHQ-UHFFFAOYSA-N 367.457 2.816 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)CN(C)Cc2ccccn2)C1 92028163 SFHXEDHLTLYBFH-FQEVSTJZSA-N 359.470 2.563 0 50 FFAA CCc1cccc(OC2CN(C(=O)CCn3c(=O)[nH]c4ccccc43)C2)c1 95387092 ADTWMFDITIXXJY-UHFFFAOYSA-N 365.433 2.572 0 50 FFAA Cc1nnc(CCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)s1 244882594 XUTSLIYZRNQDPO-QGZVFWFLSA-N 362.474 2.872 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)cc1 244718965 LUJVKDIVWJMRBA-HHXXYDBFSA-N 372.490 2.827 0 50 FFAA Cc1cc(C)n(C2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)n1 243956737 CCZOXFTWSLMXRY-NRFANRHFSA-N 354.498 2.648 0 50 FFAA CN(CCC(=O)NCc1ccccc1F)C[C@@H]1Cc2ccccc2CN1C 244719175 LYGMUPCYYJBADO-FQEVSTJZSA-N 369.484 2.821 0 50 FFAA Cc1cccnc1CNC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 182707800 OGLZZXRAAUNZHP-MRXNPFEDSA-N 354.458 2.755 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc3c(c2)OCO3)C1 252482190 DAGFBGSJTQGGOT-KRWDZBQOSA-N 352.434 2.943 0 50 FFAA CC(C)[C@H](C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)n1cccc1 263587826 LQUDGHDNGZJCLE-QGZVFWFLSA-N 361.467 2.864 0 50 FFAA CC(C)(C)c1cc(C(=O)NCC2(c3ccccc3)CCOCC2)nc(O)n1 299793490 GRSFMKCUMJEHJO-UHFFFAOYSA-N 369.465 2.958 0 50 FFAA CC(C)CC(=O)N1CCC(C(=O)NCCc2nc3ccccc3o2)CC1 299755116 CCOQRZIMCBNFQB-UHFFFAOYSA-N 357.454 2.771 0 50 FFAA COc1ccc(C2(C(=O)NCCc3nccn3C)CCCC2)cc1OC 299763919 HJXDMJHJLURXKR-UHFFFAOYSA-N 357.454 2.608 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1 299790870 BUKFLTGEVZQQDF-HNNXBMFYSA-N 363.421 2.617 0 50 FFAA Cc1csc(CN(C)C(=O)Nc2ccc(CN3CCOCC3)cc2)n1 299794913 KUOHKUPFFIWVPL-UHFFFAOYSA-N 360.483 2.948 0 50 FFAA CCCn1nc(COc2cccc(F)c2)nc1[C@@H](C)N1CCN(C)CC1 823033147 UIQVXNRFMVWNMH-OAHLLOKOSA-N 361.465 2.715 0 50 FFAA O=C(CSc1cnccn1)NC(=O)Nc1ccc(Br)cc1 1875261557 IBHDCFSYLZRIJO-UHFFFAOYSA-N 367.228 2.680 0 50 FFAA O=C(c1cc2ccccc2cc1OC[C@H]1C[N@]1CC1CC1)N1CCOCC1 1875385392 SBVNJVSFKJWGCP-DVECYGJZSA-N 366.461 2.785 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1ccc(CN2CCCC2)o1 952971468 KBXKBENSLXSBJC-UHFFFAOYSA-N 360.483 2.862 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(-n3ccc(C)n3)cc2)C1 888077826 XKKQLFAZIMQNQY-IAGOWNOFSA-N 351.410 2.506 0 50 FFAA CCC(CC)N1C[C@@H](C(=O)NC(C)(C)c2nc3ccccc3n2C)CC1=O 186799700 AXAOWFPIIQVTGP-AWEZNQCLSA-N 370.497 2.962 0 50 FFAA CCOc1ccc(NC(=O)CN[C@@H](C(=O)OC)c2ccc(F)c(C)c2)cc1 170597041 GTJMLOJIDGMWHZ-LJQANCHMSA-N 374.412 2.975 0 50 FFAA CC(C)(CNC(=O)CCc1cncc(O)c1)N1CCc2ccccc2C1 170595784 SSAGZTXBSQVHQI-UHFFFAOYSA-N 353.466 2.673 0 50 FFAA Nc1nc(NC[C@H](c2cccs2)N2CCOCC2)nc2ccccc12 301830551 RWQNQJCSNOYAIZ-OAHLLOKOSA-N 355.467 2.759 0 50 FFAA CCN(CC)c1ccc(CNC(=O)NC2CCN(CC3CC3)CC2)cn1 193678824 URIYRCNSUZPGCW-UHFFFAOYSA-N 359.518 2.601 0 50 FFAA Cc1cc(-c2cc(S(=O)(=O)NCc3cscn3)c(C)s2)n[nH]1 1506423144 SXIPLDXOYLFMCY-UHFFFAOYSA-N 354.482 2.690 0 50 FFAA O=S(=O)(N1CCCCC1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529182263 ZWHJANVFCBCCRP-ZWKOTPCHSA-N 350.484 2.569 0 50 FFAA CCN(CC)C[C@H](O)COc1ccc(CNCCCSC)cc1OC 11944801 WCOYFEMTYLFNKJ-KRWDZBQOSA-N 370.559 2.619 0 50 FFAA Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@@H](C)CS2(=O)=O)c1 12003764 ABXSSJNAFPKDRR-AWEZNQCLSA-N 372.446 2.868 0 50 FFAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 12138281 TWKANDYNFDQSPY-LJQANCHMSA-N 368.433 2.921 0 50 FFAA Cc1ocnc1C(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12468171 YMSFOKOQSRRMPQ-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccccn1 12652747 DNKYHHFCPXKFIY-UHFFFAOYSA-N 366.808 2.886 0 50 FFAA in-vivo O=C1C[C@H](NCc2ccc3c(c2)OCCO3)CN1CCc1ccc(F)cc1 12716068 MNJOEFBODMZVCF-SFHVURJKSA-N 370.424 2.530 0 50 FFAA CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 13671473 ZDUZIJZNEYLZED-HNNXBMFYSA-N 370.515 2.637 0 50 FFAA CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc(O)cc2)C1 14743480 RZHFHIMSMHDGDU-WOJBJXKFSA-N 373.541 2.698 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3)C2)nn1C 14977350 IJLTXLFJYUZMPO-NRFANRHFSA-N 370.472 2.996 0 50 FFAA COC(=O)C[C@@H](c1ccccc1)c1c(O)n2cc(Cl)ccc2nc1=O 205976979 PCFSMZNUDMTXJS-ZDUSSCGKSA-N 358.781 2.749 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1ccc(O)cc1 1857726630 AJNLMXWBLNFQAP-JENIJYKNSA-N 372.852 2.990 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)c(-c2ccccc2)n1 1875241090 OYXAWDNFLLRXDC-YLJYHZDGSA-N 374.444 2.523 0 50 FFAA NC(=O)c1c[nH]c(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 125091608 GAPCLFSRTWULJM-LLVKDONJSA-N 368.220 2.714 0 50 FFAA O=C(N[C@H]1CCCC[C@@H]1O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 333487671 UIZRSNXSRGIRBM-XQLPTFJDSA-N 353.260 2.908 0 50 FFAA COc1cc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1C(=O)O 237315299 MWUPXYFCUSXVRC-SFHVURJKSA-N 368.433 2.674 0 50 FFAA COc1ccc(C2(C(=O)N3CCO[C@@]4(CCOC4)C3)CC3(CCC3)C2)cc1 376145179 RSLDSCNVNVVPSM-NRFANRHFSA-N 371.477 2.915 0 50 FFAA C[C@@H]1C(=O)NCCCN1c1ccc(Br)c(C(F)(F)F)n1 376476259 YWCNHMMYDOGFQS-SSDOTTSWSA-N 352.154 2.578 0 50 FFAA CC(C)(C)C(=O)NCCNC(=O)C1(C)CCN(Cc2ccccc2)CC1 162908494 OJAYCDMENORJSL-UHFFFAOYSA-N 359.514 2.567 0 50 FFAA CC(C)N1C[C@H](Nc2ncccc2C(=O)N2CCc3ccccc32)CC1=O 266167570 YLUKYJIGUMOARG-MRXNPFEDSA-N 364.449 2.706 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3c(C)nc4sccn34)C1)CC2 1704297639 UTGGIAUNWHDUPD-LJQANCHMSA-N 367.478 2.923 0 50 FFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H]1[C@H]2OC(=O)[C@H]3C[C@H]1C[C@@H]32 838956659 WDYRIINQTDDQHB-SBMQWTODSA-N 370.323 2.966 0 50 FFAA Cn1cnc2cnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc21 2100545019 OBCLKDVTYOMXBR-UHFFFAOYSA-N 362.359 2.709 0 50 FFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1 332082702 OICKJWWLYBLZRA-VIFPVBQESA-N 362.238 2.863 0 50 FFAA C[C@@]1(c2ccccc2)COCCN1C(=O)[C@H]1CC(=O)c2cc(F)ccc2O1 2325757359 FHEMJRAIJPPBHC-CTNGQTDRSA-N 369.392 2.934 0 50 FFAA CC1(C)CO[C@H](CS(=O)(=O)NCc2ncc(-c3ccccc3)o2)C1 2325775770 IPTUVRURKHZDRV-AWEZNQCLSA-N 350.440 2.576 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1cccc(-c2ccncc2)c1 2325797145 PYSFQRXKWHKQCZ-CWFSZBLJSA-N 362.433 2.515 0 50 FFAA O=C(O)c1ccc([C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 2325803325 ADYDRLJDNGPKHU-HXRGIAOBSA-N 366.461 2.749 0 50 FFAA C[C@H](C(=O)NCc1cnc(C(C)(C)C)[nH]1)n1ccc2ccccc2c1=O 2325812993 ANTSLIOTKCLDPK-CYBMUJFWSA-N 352.438 2.900 0 50 FFAA O=C(NCc1ccc(O)cc1Cl)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 2325816902 NNWUTADEYARPCB-KRWDZBQOSA-N 371.824 2.897 0 50 FFAA Cc1scc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1C 2325842834 JUYQGGBAVHMENJ-ZDUSSCGKSA-N 360.483 2.856 0 50 FFAA Cc1nc(-c2cc(C(=O)N[C@H]3C[C@@H](Cn4ccnc4)C3)n(C)c2)cs1 2325854478 GHALIYAWPLQNGH-OTVXOJSOSA-N 355.467 2.862 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3nc(C)cc(O)n3)c2)C1 2325888789 ZWXKFDTZZZPGDN-OAHLLOKOSA-N 366.421 2.521 0 50 FFAA Cc1nnc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)s1 1135905 YRXDJUGLYNDOHM-UHFFFAOYSA-N 359.432 2.932 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O 23429342 FCCHLCSRCQYLJY-RTWAWAEBSA-N 368.525 2.628 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCCCC[C@H]1c1ccco1 247198626 UKPRILJXKZNYKU-OAGGEKHMSA-N 358.438 2.899 0 50 FFAA CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cccnc1 9426905 MMWFHQGLWNSXRQ-UHFFFAOYSA-N 355.423 2.796 0 50 FFAA COc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)c2nccn2C)c1 248127511 MDDRHULNLXRBIX-OTWHNJEPSA-N 362.433 2.833 0 50 FFAA C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)[C@@H]1OCCc2sccc21 421573717 JMHOLHKTHXJNPU-BLVKFPJESA-N 355.463 2.996 0 50 FFAA CCCCNC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)NCCC)c1 10009837 OXXCWLRGFGXWFP-UHFFFAOYSA-N 367.515 2.505 0 50 FFAA O=S(=O)(Cc1ccc(Br)cc1)c1nc2ncccc2[nH]1 2504037 AJHOYXWMKAAITK-UHFFFAOYSA-N 352.213 2.694 0 50 FFAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CCCC1 23373296 AGLKTDSHMAGHOC-OAQYLSRUSA-N 354.498 2.684 0 50 FFAA CC1=C(C(=O)NCCSc2ccccn2)[C@H](c2cccs2)NC(=O)N1 67935322 SMEDDELDIFLXDE-HNNXBMFYSA-N 374.491 2.680 0 50 FFAA Cc1cc2c(c(-c3nc(N(C)C)n(Cc4ccccc4)n3)c1)O[C@@H](CN)C2 67966752 JXUHASMNYBUQDI-QGZVFWFLSA-N 363.465 2.630 0 50 FFAA CSc1nccc(N2CCN(Cc3cccn3-c3nccs3)CC2)n1 65396065 BRTOZAFVVPNVKE-UHFFFAOYSA-N 372.523 2.768 0 50 FFAA COc1ccc(CN2CCCC3(CCNCC3)CC2)cc1Cn1cncn1 67458888 RLHVWDGLYYSRKG-UHFFFAOYSA-N 369.513 2.691 0 50 FFAA CC[C@H](NC(=O)N1CCN(c2ccc(C)c(C)c2)CC1)c1noc(C)n1 120749840 LWGKFRUGAAKSHP-KRWDZBQOSA-N 357.458 2.978 0 50 FFAA Cc1csc([C@@H](C)NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n1 321493244 SAGBZZATHYHAAH-LLVKDONJSA-N 354.453 2.806 0 50 FFAA CC[C@H](NC(=O)c1cc(COc2cccc(F)c2)[nH]n1)c1nc(C)no1 67695471 IGHXAIJFHUENGY-AWEZNQCLSA-N 359.361 2.700 0 50 FFAA COc1cc2c(cc1CN1CCN(c3ccc(Cl)nn3)CC1)CCC2 65371159 YZLABQDXYCAXGQ-UHFFFAOYSA-N 358.873 2.950 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@@H](O)C1)c1ccc(Cl)c(F)c1 39420974 HXMLIDTWKIXREL-CQSZACIVSA-N 363.820 2.765 0 50 FFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)C4CCCCC4)CC3)ncn2)n1 65365683 KKAHKRWDOJYMJB-UHFFFAOYSA-N 368.485 2.508 0 50 FFAA COCCC(=O)N1CCC[C@@]2(CCN(Cc3ccc(C(C)=O)cc3)C2)C1 67756482 SJSQTXQCRUNPBT-NRFANRHFSA-N 358.482 2.740 0 50 FFAA CCc1nc2c(c(NCCC3=CCCCC3)n1)CCN(CC(=O)O)CC2 72419002 DSXXRMGITIQLNQ-UHFFFAOYSA-N 358.486 2.827 0 50 FFAA Cc1noc(-c2ccc(NC[C@@H](c3ccccc3)N3CCOCC3)nc2)n1 363054192 OOYDMQJCQUJRSU-SFHVURJKSA-N 365.437 2.925 0 50 FFAA COc1ccccc1[C@@H]1CN(c2nccnc2C)[C@@H]2C3CCN(CC3)[C@H]12 72151777 PBJZQZHVZBIBGN-DFQSSKMNSA-N 350.466 2.860 0 50 FFAA Cc1ccc2c(C(=O)N[C@H]3CCCC[C@@H]3NS(C)(=O)=O)csc2c1 332286829 IQUCBPCRQPFMPS-GJZGRUSLSA-N 366.508 2.800 0 50 FFAA Cc1nnc(S)n1CCNC(=O)c1ccc(CCC(F)(F)F)cc1 154856158 VNXWRCDUZAGZEC-UHFFFAOYSA-N 358.389 2.800 0 50 FFAA O=C(Cc1cccc(F)c1F)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 154966527 KYJOGZDGNFWNDL-QGZVFWFLSA-N 372.415 2.857 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC(c4nncn4C)CC3)[nH]n2)s1 30638214 GUMUQVLQXWTESX-UHFFFAOYSA-N 356.455 2.595 0 50 FFAA CCCN(C)C(=O)C[C@H]1COCCN1C(=O)Nc1cccc(SC)c1 72419210 LFGVOUVDFPZXII-HNNXBMFYSA-N 365.499 2.900 0 50 FFAA Cc1cccc(NC2CCN(C[C@@H](O)COc3ccccc3F)CC2)n1 368569386 MFABMFNUOHRCGV-QGZVFWFLSA-N 359.445 2.845 0 50 FFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)N2CCOC3(CCOCC3)CC2)cc1 369867413 IYFBFPLCTRYQFS-RBUKOAKNSA-N 374.481 2.922 0 50 FFAA COCc1cccc(S(=O)(=O)NCc2ccnc(C(F)(F)F)c2)c1 451750976 WOFHUZNZIILHDG-UHFFFAOYSA-N 360.357 2.725 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3ccc4c(c3)ncn4C)CC2)cs1 128109953 OXACZGWDBZJNTG-UHFFFAOYSA-N 369.494 2.686 0 50 FFAA c1cc(CN2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)ccn1 72435711 WCJWZZVEQZBQIZ-UHFFFAOYSA-N 366.513 2.570 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc[nH]1 72161664 KPNDZALAPHYSNV-LBPRGKRZSA-N 351.328 2.564 0 50 FFAA CCOc1ccc2c(C)c(C(=O)N3CC[C@H]4CNC[C@H]43)oc2c1OCC 77504614 RTZFOQAQBUMNNF-DZGCQCFKSA-N 358.438 2.973 0 50 FFAA COC(=O)c1ccc(NC(=O)NCC(C)(C)CN2CCCC2)cc1F 241287478 LLTXQBNAKAOCKN-UHFFFAOYSA-N 351.422 2.856 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)c1C 77407363 LLPTXLDPDKIYNQ-VQTJNVASSA-N 368.481 2.654 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CCO1 178280427 CKHCUTRYXWCRBG-MRXNPFEDSA-N 368.414 2.889 0 50 FFAA CCn1nc(C)c(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)c1C 220480702 ZHTXHOAEXMSYLX-OAQYLSRUSA-N 365.481 2.814 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)C(C)(C)c1ccccc1)CC2 426612687 WAEGOKSHPICGKG-BBTUJRGHSA-N 361.482 2.512 0 50 FFAA O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC(Cc2ccc(F)cc2)CC1 82097333 FERQANMQYWGWLX-MRXNPFEDSA-N 351.443 2.555 0 50 FFAA O=C(Cc1ccccc1O)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82137068 JUGXWQXAJRIBEN-UHFFFAOYSA-N 368.481 2.596 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N1CCN(C)CC1 82115373 GNHQHQVCCYRXNI-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA CCCc1cncnc1N1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 82136742 GLDMVCKWBLKVMK-UHFFFAOYSA-N 369.517 2.801 0 50 FFAA CNC(=O)[C@@H]1CCN(C(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)C1 95523596 SVMQSTGHJVPMMV-CQSZACIVSA-N 367.380 2.842 0 50 FFAA Cc1ccc([C@@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2N(C)C)cc1 95524922 JREGTKKUTTXBRU-LEWJYISDSA-N 372.534 2.928 0 50 FFAA CCc1nc(CN(C)C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)no1 426474421 VADNMVHAUYQHQI-MRXNPFEDSA-N 371.485 2.571 0 50 FFAA Cc1oc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)O 268944416 VHWZGMNFQCZURJ-JKSUJKDBSA-N 371.389 2.820 0 50 FFAA CCc1nc2ccccc2n1[C@H](CC)C(=O)NCCc1csc(N)n1 95383256 YDECEXANYBFQNQ-CQSZACIVSA-N 357.483 2.947 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(Cc2ccccn2)CC1 95378228 FFDJNLXAJUHLHV-MRXNPFEDSA-N 355.486 2.743 0 50 FFAA O=C(Nc1nc2c(s1)CCCCCC2)c1cn(C2CCNCC2)nn1 238100546 LQPXAPKCQDVGJS-UHFFFAOYSA-N 360.487 2.570 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)CN2CC3(CCCC3)CC2=O)CC1 95497411 ABNKDEZFBUKQIL-UHFFFAOYSA-N 370.493 2.943 0 50 FFAA O=C(COCc1nc2ccccc2[nH]1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795901 RPNPKLNJYNWQTO-QHRIQVFBSA-N 371.462 2.769 0 50 FFAA C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)n1cnc2ccccc21 298389184 CHHVELDRASDZLC-OAHLLOKOSA-N 350.422 2.652 0 50 FFAA COc1ccc(C(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c2ccc(OC)cc2)cc1 299753612 YUFIDRRBKHGYJX-SJORKVTESA-N 355.390 2.630 0 50 FFAA COc1ccccc1OC1CN(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)C1 534591499 BXCGPVNMHULEJG-CQSZACIVSA-N 368.433 2.991 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCc2ccc(F)cc2)CNC3=O)c1 263615496 CSQQKXAFODDZNH-IBGZPJMESA-N 366.396 2.730 0 50 FFAA Cc1ccc(OCCc2nnc(NC(=O)Cn3ccnc3C)s2)cc1C 1940196433 LMSSYRKBNBPTAE-UHFFFAOYSA-N 371.466 2.920 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1 299790878 CEUIRSPZSGYXKB-GFCCVEGCSA-N 355.364 2.720 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2c(OC)cccc2OC)c1C 824424325 JGVYBCDPANGJOD-UHFFFAOYSA-N 372.421 2.641 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1ccc(Cn2cccn2)o1 828164186 XPPLEQQQYOMFIN-UHFFFAOYSA-N 362.389 2.881 0 50 FFAA COCCN(Cc1ccccn1)C(=O)N[C@@H](C)c1nc2ccccc2n1C 584895266 JXDSLULLBOCMLU-HNNXBMFYSA-N 367.453 2.888 0 50 FFAA FC(F)(F)[C@]1(c2nc(-c3ccccc3)no2)CCN(Cc2cnon2)C1 952892133 KKCDUQQJRSHJQO-OAHLLOKOSA-N 365.315 2.826 0 50 FFAA CCN[C@@H]1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 1875287405 ISZHMGUMMRBMLP-QGZVFWFLSA-N 367.449 2.583 0 50 FFAA Cc1nc(CNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)n[nH]1 1875257845 HYEVCASQHXAVHO-UHFFFAOYSA-N 358.405 2.896 0 50 FFAA Cc1cc(C)c2cccnc2c1S(=O)(=O)N1C[C@@H](CN)CC12CCC2 1875337342 RZVXERZDEXEGAK-OAHLLOKOSA-N 359.495 2.744 0 50 FFAA COc1cc(F)c([C@H](NCC2(n3ccnn3)CC2)C(F)(F)F)cc1OC 1875396631 PIIWPJUMPYUBOW-AWEZNQCLSA-N 374.338 2.817 0 50 FFAA COc1ccc(C(=O)NC[C@]2(C)CCN(C(=O)c3cc(C)oc3C)C2)o1 1875340514 FULCYYBIAXWLPI-IBGZPJMESA-N 360.410 2.780 0 50 FFAA O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1cnc2ccsc2c1 1875350270 HIDHCLPXBZAQPX-UHFFFAOYSA-N 366.851 2.997 0 50 FFAA CC(C)c1ccc(-n2cnnc2SCC(=O)NCCC2CC(N)C2)cc1 1875315447 VQVNGYJHNIJJQS-UHFFFAOYSA-N 373.526 2.726 0 50 FFAA CCc1ccc(S(=O)(=O)N2CC(Oc3cccc(OC)c3)C2)s1 952962095 AKISVCVUEWGOLB-UHFFFAOYSA-N 353.465 2.771 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 952972549 KGHQBOYFNPPGMO-LJQANCHMSA-N 350.422 2.786 0 50 FFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CCN2CCCCCC2=O)c1 952963808 KPPVYSANFIDUKG-OAHLLOKOSA-N 357.454 2.933 0 50 FFAA CCOc1ccccc1CNC[C@H]1CCC(=O)N(C)[C@@H]1c1nccn1C 886082008 SHVNKHBOCQBDGB-APWZRJJASA-N 356.470 2.518 0 50 FFAA CC(C)c1noc([C@H](NC(=O)[C@H]2Cc3ccccc3O2)C2CCOCC2)n1 275280477 KNAYNQCCVJGMDD-IAGOWNOFSA-N 371.437 2.781 0 50 FFAA Cc1cc(NC(=O)CN2CCc3c(Br)ccc(F)c3C2)no1 186205466 PBWIGKPLXKZLGE-UHFFFAOYSA-N 368.206 2.881 0 50 FFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1cnn(Cc2ccccc2)c1 170592502 LRZXXJURTOBIIZ-LJQANCHMSA-N 360.417 2.595 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c(O)n1 279763932 RQQVFMOYLYNYGH-CQSZACIVSA-N 374.416 2.691 0 50 FFAA Cc1ccc(F)c(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 171272212 UAZRRRYIPYAYQZ-UHFFFAOYSA-N 374.387 2.637 0 50 FFAA COCc1noc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)n1 280228068 AVYITSZBMQSVSH-MFKMUULPSA-N 357.332 2.543 0 50 FFAA Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc2nnc(C(C)C)n2c1 189081984 FWLRTRQTOYPCKX-UHFFFAOYSA-N 368.441 2.794 0 50 FFAA COc1ccc(CC[C@@H](C)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1O 225425078 LNESKZYFDMPGJL-PBHICJAKSA-N 374.456 2.795 0 50 FFAA CN[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 194737441 QRQCBDOBHGVDPB-JTQLQIEISA-N 356.797 2.731 0 50 FFAA CO[C@H](C)c1nnc(NC(=O)c2cnc(-c3cccnc3)nc2C)s1 1529101349 FJBGXGXLKVJYBE-SNVBAGLBSA-N 356.411 2.658 0 50 FFAA COc1cc2c(Cl)c(C(N)=O)cnc2cc1I 214486139 TZPPZSCFJVTINJ-UHFFFAOYSA-N 362.554 2.600 0 50 FFAA O=C(c1csc(-c2cccs2)n1)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615735471 RUZZVLLRLALRTC-ZFWWWQNUSA-N 371.487 2.942 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1616077044 DBRRPIPDPFENMP-WMZOPIPTSA-N 357.841 2.633 0 50 FFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 1848443964 RJBQQSGLYKCWQT-MTFMMBMASA-N 359.381 2.849 0 50 FFAA COc1ccc(-n2nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 11690253 FMJXNYBGFMTDKV-UHFFFAOYSA-N 368.393 2.854 0 50 FFAA CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12208683 PZRMZSLZSLJBOM-IBGZPJMESA-N 364.486 2.920 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)Cc2cccnc2)n[nH]1 12301817 DCMKCSSYEMKHOD-UHFFFAOYSA-N 360.421 2.783 0 50 FFAA O=C1CC[C@H](CCNCc2cc3c(cc2Cl)OCO3)N1CC1CC1 12331457 BBBAHAUVMPWDTD-CQSZACIVSA-N 350.846 2.949 0 50 FFAA CC(C)CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 12382206 ILHOIGAGIBHUIW-UHFFFAOYSA-N 352.500 2.566 0 50 FFAA COC(=O)c1cnc(NCc2nc(-c3ccc(OC)c(O)c3)oc2C)cn1 1857667803 YUYUYGRNTFNRTK-UHFFFAOYSA-N 370.365 2.553 0 50 FFAA Cc1c(C(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)nc2ccccn12 1857731242 DLPIQGBOLKZPHG-QFIPXVFZSA-N 374.444 2.793 0 50 FFAA COc1ccc(CN2CCN(c3cc(NC4CC4)ncn3)CC2)cc1F 413032416 ZQXVTXNGQMZZAI-UHFFFAOYSA-N 357.433 2.521 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCCOc1ccccc1Br 237487286 SQOOXIGBOQWCMO-STQMWFEESA-N 355.276 2.946 0 50 FFAA CC(C)CCc1cc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)n(C)n1 252501058 UBYCUQJHEFOBDU-MRXNPFEDSA-N 373.505 2.533 0 50 FFAA Cc1ccc(C=c2sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1 254870604 XQECTYNJRKWJPD-UHFFFAOYSA-N 374.465 2.872 0 50 FFAA CCC(C)(C)NC(=O)CN1CCN(Cc2nc(-c3ccccc3)co2)CC1 152905818 CWZVQBUGGSUSRH-UHFFFAOYSA-N 370.497 2.764 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc2c1OCO2 154521976 OUJPVMDEIRBQHY-AWEZNQCLSA-N 358.781 2.604 0 50 FFAA O=C(O)CC1(NC(=O)COc2ccc(Cl)cc2Cl)CCOCC1 262556313 YGVUSSWAHITIIO-UHFFFAOYSA-N 362.209 2.512 0 50 FFAA Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CC1CC(=O)NC(=O)C1 2325779157 KCLURRDXXYYFEE-UHFFFAOYSA-N 358.482 2.703 0 50 FFAA CCN(CC(=O)NC[C@@H](NC(=O)c1coc(C)c1)C(C)C)c1ccccc1 2325793070 DNVUFJWKVWHGPM-LJQANCHMSA-N 371.481 2.985 0 50 FFAA CC[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)C1(C)C(C)(C)C1(C)C 2325794087 PWUGJQUVQMCYOM-LSDHHAIUSA-N 354.535 2.773 0 50 FFAA O=C(N[C@H](C(=O)O)c1cccc(Cl)c1)c1ccn2c1CSCC2 2325808270 LVCYSZGGHZYLMJ-AWEZNQCLSA-N 350.827 2.944 0 50 FFAA CO[C@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C(=O)c1occ2c1CCC2 2325828327 DPUHCJGXXZOGKP-DOTOQJQBSA-N 362.470 2.550 0 50 FFAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc3[nH]ncc23)C1 2325858000 XJOROVSCRJRYSJ-GOSISDBHSA-N 363.465 2.979 0 50 FFAA CC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc(COc2cccc(O)c2)nn1 2325863282 CNHHRBMXEKJVAG-GDBMZVCRSA-N 358.442 2.600 0 50 FFAA O=C(N[C@@H]1CCOC1)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 12300211 ROCJVLPSUNVWSY-LLVKDONJSA-N 355.316 2.526 0 50 FFAA CC(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 802977 CMXBMGHFPFTQID-UHFFFAOYSA-N 358.419 2.593 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 810409 SVCQOWSAPNYXKB-INIZCTEOSA-N 351.406 2.632 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccccc2)C1 1194959 CNQJGOUWPQEPPO-GOSISDBHSA-N 358.781 2.560 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(C)ccc2NC(C)C)C[C@H]1O 2356148414 VCWLQNVSYOPDLF-XLIONFOSSA-N 362.470 2.893 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 4867285 XSQYCTOALNGDFC-ZDUSSCGKSA-N 350.415 2.927 0 50 FFAA CC[C@H](C(=O)Nc1cccc(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 8995263 INSORBSZGOXKAF-OAHLLOKOSA-N 357.797 2.933 0 50 FFAA CCSc1nc(CC(=O)NCc2ccc(C(=O)OC)cc2)cs1 55211622 LAUYSVISWDUWGP-UHFFFAOYSA-N 350.465 2.901 0 50 FFAA CC(C)Nc1ncc(CN(CCCn2ccnc2)Cc2cccnc2)cn1 55413599 PHEFFZVZEQGXIF-UHFFFAOYSA-N 365.485 2.981 0 50 FFAA CCN1C[C@H](CN(C)CC(=O)N[C@H]2CCCC[C@H]2C)Oc2ccccc21 248070890 AURNTZFOBLLTGS-SQNIBIBYSA-N 359.514 2.901 0 50 FFAA COc1cc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)ccc1O 104482282 WKKLPXJTWWXHQQ-HXUWFJFHSA-N 370.493 2.778 0 50 FFAA Cc1c(Br)cc(I)c2c1nnn2C 306831404 KNYHEPCDLGMNTE-UHFFFAOYSA-N 351.973 2.644 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 23956037 IJJUWWFXBCHPAE-QGZVFWFLSA-N 354.450 2.603 0 50 FFAA COc1cc(CNC(=O)[C@H](NC(C)=O)C2CCCC2)c2ccccc2n1 172767720 ROIXJBOJLYHHST-LJQANCHMSA-N 355.438 2.555 0 50 FFAA O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCN2CCCC[C@@H]12 229713617 DYDASVUURPYDIM-CVEARBPZSA-N 364.873 2.787 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 172856588 LQHVKURSPRHQTO-BZUAXINKSA-N 369.421 2.659 0 50 FFAA O[C@@]1(CN(Cc2cccnc2)Cc2cccnc2)CCCN2CCCC[C@@H]21 63882403 MRVNLQVEDAWRSB-FGZHOGPDSA-N 366.509 2.858 0 50 FFAA C[C@H](NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1ccc(-c2cncnc2)cc1 360487004 ADKBXMCRNYLGHE-UONOGXRCSA-N 369.469 2.807 0 50 FFAA Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1nccs1 2777987 RWWKIBDXBYZLRZ-UHFFFAOYSA-N 355.139 2.910 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)OC1=O 77288047 CGBWZLNCWMBZCD-UHFFFAOYSA-N 374.437 2.888 0 50 FFAA Cc1ccc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)c1 35476245 RDNQQLMGESWSQL-HNNXBMFYSA-N 373.420 2.709 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(n4cnnc4)CC3)cc2)n1 216186080 MTMDSGZMABZIMF-UHFFFAOYSA-N 364.453 2.617 0 50 FFAA COc1cc(Cl)c(CN2CCC[C@@](O)(CO)CC2)c(Cl)c1OC 216129257 KGXIICNJESWNRV-INIZCTEOSA-N 364.269 2.720 0 50 FFAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CC1)OCCC[C@@H]2O 216403563 DCPCQZGTQDGLPB-SFHVURJKSA-N 354.450 2.998 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)c3ccc(F)cc3Cl)ncn2)n1 72117684 DITBFTBMILBKJF-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA C[C@@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)C1CCNCC1 262626706 SSMXQQSEAPXTEI-KRWDZBQOSA-N 363.546 2.653 0 50 FFAA O=C(O)COc1ccccc1CN1CCC2(CC1)c1ccccc1C[C@@H]2O 72165506 TWZKRICWUWTNKL-FQEVSTJZSA-N 367.445 2.601 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)c1ccc(F)cc1Cl 82230663 TUMFDWGDMYJPOK-UHFFFAOYSA-N 363.824 2.711 0 50 FFAA CC(C)(C)c1ccc(CCC(=O)NS(=O)(=O)c2ncccc2F)cc1 241588540 PDXLFOQZKNLBQK-UHFFFAOYSA-N 364.442 2.956 0 50 FFAA O=C(CCn1cnc2ccccc2c1=O)N1CCCC[C@H]1c1nccs1 220049176 PJWIRCLQHNOTFE-INIZCTEOSA-N 368.462 2.997 0 50 FFAA O=C(Nc1cnn(Cc2cccc(F)c2)c1)N1CCC[C@@H]1Cn1cccn1 426548781 MLOPRBRLMXMNMG-GOSISDBHSA-N 368.416 2.964 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2=O)c1 82133599 VERUJHCASXWMJG-UHFFFAOYSA-N 362.788 2.977 0 50 FFAA Cc1nc([C@H](C)NC(=O)N2CCN(C3CCCCC3)C(=O)C2)cs1 426358210 GBDZWGPGBUWZEI-LBPRGKRZSA-N 350.488 2.699 0 50 FFAA Cc1ncsc1CCC(=O)NC1CCN(C2CCSCC2)CC1 82120643 FXNDCCWGFANKIB-UHFFFAOYSA-N 353.557 2.860 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)N1CC[C@H](N2CCCCC2)C1 426578796 PJNHQDMVATYJJS-INIZCTEOSA-N 355.442 2.506 0 50 FFAA Cc1n[nH]c(C)c1[C@H](N)C(=O)N(CCc1ccccc1)Cc1ccccn1 91320009 RMRIIZFJRGIZOZ-FQEVSTJZSA-N 363.465 2.693 0 50 FFAA O=C(C1CC1)N1CCC(C(=O)N2CCC[C@H](OCc3ccccc3)C2)CC1 91586869 LEJTUIGQQUBYIW-FQEVSTJZSA-N 370.493 2.843 0 50 FFAA CC(C)Sc1ccccc1NC(=O)NCCSc1nnnn1C 96164790 WULCGIBQPMMTNU-UHFFFAOYSA-N 352.489 2.624 0 50 FFAA CN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1ccccc1F 95384432 XUQGZCBMWPQFNW-GOSISDBHSA-N 359.449 2.842 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1cc(-c3cccnc3)no1)C2 95358476 DQRFBVBGIKPWDQ-HNNXBMFYSA-N 365.389 2.613 0 50 FFAA COCc1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)ccc1OC 92046512 PHHPWSHFSRMXPQ-ZWKOTPCHSA-N 356.422 2.537 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3cc(C4CC4)ncn3)CC2)n1 95375277 ODJYWPCLNFYYIE-UHFFFAOYSA-N 364.375 2.798 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2cnc[nH]c2=O)cnn1-c1cccc2ccccc12 91350826 VNLYVPUFJIAYHO-CYBMUJFWSA-N 373.416 2.908 0 50 FFAA Cc1cccc([C@@H](C(=O)NCCCn2nnc3ccccc32)N(C)C)c1 95370146 SNCCLQKMUFFDOP-IBGZPJMESA-N 351.454 2.549 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 267506735 YRZAHKTZIGSZFC-IEBWSBKVSA-N 359.514 2.566 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)CC[C@@]1(O)C1CCOCC1 91321232 PVJCWWXPKUQGRH-VFNWGFHPSA-N 359.466 2.651 0 50 FFAA CN1CCN(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)CC1 91526930 ORPUPSQQQYEBGL-HXUWFJFHSA-N 370.541 2.555 0 50 FFAA CCN1CCc2nc[nH]c2C12CCN(Cc1c(C)nc3sccn13)CC2 91779124 SLEVZIKEDPIRSV-UHFFFAOYSA-N 370.526 2.797 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]2N)cc1 91391480 OZTPWZOMZXFQFS-MSOLQXFVSA-N 363.417 2.917 0 50 FFAA COc1cccc([C@@H]2CCN(CCC(=O)Nc3cccnc3)C2)c1OC 244724600 MXBPNSOEQCLHHD-OAHLLOKOSA-N 355.438 2.917 0 50 FFAA O=C(COC[C@H]1CCCO1)NCc1cc(-c2cccc(Cl)c2)no1 244691955 JLVOWTWSKMXRDR-CQSZACIVSA-N 350.802 2.807 0 50 FFAA OCCCN(Cc1ccc(Cl)cc1)Cc1noc([C@@H]2CCCO2)n1 244716161 LJPQCCIYHLRHTI-HNNXBMFYSA-N 351.834 2.959 0 50 FFAA C[C@H](CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)N1CCOCC1 253370485 RILYPQQOZRLSNA-IXDOHACOSA-N 355.523 2.523 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)N[C@H](C(C)C)C(F)(F)F)CC2)n1 534638587 HTVCUQQULQWZRH-CYBMUJFWSA-N 359.396 2.512 0 50 FFAA CC(C)NC(=O)C1CCN(C2CCN(Cc3ccc(O)cc3)CC2)CC1 55152944 HQSJLKDHKJRLFH-UHFFFAOYSA-N 359.514 2.593 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)Nc3ccc4[nH]nnc4c3)C2)c1OC 299791814 DBSYWTRIMJSDBY-LBPRGKRZSA-N 367.409 2.997 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3ncccc3C(F)(F)F)[C@H](O)C2)cs1 299761621 WYHDIQYFFZTQMB-ZIAGYGMSSA-N 372.416 2.913 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 298936151 BDWKRSUNDPLDQO-LLVKDONJSA-N 354.859 2.718 0 50 FFAA COC[C@@H](C)N(Cc1cccc(OC)c1)S(=O)(=O)N1CCC(C)CC1 824339237 WGVATNHJLTUFQF-MRXNPFEDSA-N 370.515 2.509 0 50 FFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1onc2c1CCCC2 828231292 QRKLUFQOZJFLTI-QGZVFWFLSA-N 365.477 2.915 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3CCS(=O)(=O)CC3)c2)ccc1Cl 584891406 PQDUCAPTVQSOJE-UHFFFAOYSA-N 364.854 2.581 0 50 FFAA Cc1ccc(N2CCCN(C(=O)c3ccc4scnc4c3)CC2)nn1 932084269 IOAJJZQBNLRKQL-UHFFFAOYSA-N 353.451 2.747 0 50 FFAA C=CC(=O)N(Cc1c(Br)nnn1C)[C@H]1CCCc2occc21 1875384408 OKFKZSDQWMFREF-NSHDSACASA-N 365.231 2.763 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)CC1 1875366117 NQGGNKNNZNHNDF-OAQYLSRUSA-N 356.466 2.610 0 50 FFAA O=C1CC[C@](C(=O)N2CC[C@@H](c3cccc(O)c3)C2)(c2ccccc2)CN1 1875267924 ABROZDKAVDUEIF-VGOFRKELSA-N 364.445 2.556 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1Cc2cnc(-c3ccccc3)nc2C1 952972550 VKUAPXVHPKKIBF-UHFFFAOYSA-N 361.449 2.969 0 50 FFAA Fc1cccc(OCc2nc([C@H]3CCCNC3)n(-c3ccncc3)n2)c1 952979044 GRPACSPQDAYPAI-AWEZNQCLSA-N 353.401 2.847 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F 886038118 CUALVSUFEYXACC-ZWNOBZJWSA-N 350.287 2.636 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3ncnc4ccsc34)[C@@H](O)C2)cs1 1565513413 JHBUICRLAKUHLC-JSGCOSHPSA-N 361.496 2.504 0 50 FFAA CCCCCCOc1ccc(CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 170595425 NXVOLKBPQDTEIC-GOSISDBHSA-N 354.516 2.899 0 50 FFAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1 279220905 FOXYILWJIASACP-PKOBYXMFSA-N 368.481 2.917 0 50 FFAA CCc1nc(C2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)n[nH]1 191491629 PJVDFZDSVUFCDS-UHFFFAOYSA-N 372.517 2.785 0 50 FFAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c(O)cn1 1506430151 WZDFOFKCWUHQPC-KRWDZBQOSA-N 356.422 2.796 0 50 FFAA Cc1ncc(CN(CCO)C(=O)c2ccc(N3CCCC3)c(Cl)c2)[nH]1 1704304456 DZVYTFUJNZCFKN-UHFFFAOYSA-N 362.861 2.606 0 50 FFAA CN(C)C(=O)c1ccc(NC2CCN(C(=O)NC3CCCCC3)CC2)nc1 1704280193 SGGUHNFCDOUUQO-UHFFFAOYSA-N 373.501 2.702 0 50 FFAA Cc1cc(C)cc(CCC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c1 1772712068 GUMDGSHRTLKUMT-FQEVSTJZSA-N 350.462 2.806 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1 11662483 QLPIEWMHRXUXER-NRFANRHFSA-N 374.431 2.917 0 50 FFAA O=C(NCCc1nccs1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11954740 NWRRHACBSYTFPS-KRWDZBQOSA-N 371.506 2.673 0 50 FFAA CC(C)(C)CN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 12305154 FTYIRHBFMPVUNC-LJQANCHMSA-N 372.557 2.920 0 50 FFAA O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCCCCC1 12386547 IETFAFXGOLHOKA-UHFFFAOYSA-N 367.409 2.851 0 50 FFAA COc1ccc(/C=C/C(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1 12707156 QKUPVJDZHAYXKH-YRYLYKBFSA-N 368.433 2.970 0 50 FFAA CC(C)NC(=O)[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 12753725 LJYJWLBIHULLOP-FQEVSTJZSA-N 357.542 2.930 0 50 FFAA COc1ccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c(OC)c1C 19839902 RUEIBFIFDUSPBA-SFHVURJKSA-N 350.503 2.537 0 50 FFAA CCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)cc1 169776241 MJDOITMIKZWHLO-UHFFFAOYSA-N 362.393 2.580 0 50 FFAA CCc1nc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(OC)cc3)CC2)n[nH]1 1857528811 JPQCESAQSSUFQQ-SJORKVTESA-N 354.454 2.885 0 50 FFAA CC[C@@H](C)NC(=O)N1CCC2(CC1)OCCc1sc(C(=O)O)cc12 1857692667 OMNDVMNVEWIGEK-LLVKDONJSA-N 352.456 2.818 0 50 FFAA CSc1cccc(NC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857730461 QPOMUJJHZYURPX-DODZYUBVSA-N 361.511 2.981 0 50 FFAA CCOCCC(=O)NC[C@H]1[C@H]2CN(CC/C=C(\C)CC)C[C@]23CC[C@H]1O3 1857741581 ZDYLBXAOJAQBLW-HEHDVTDFSA-N 364.530 2.755 0 50 FFAA O=C(c1scnc1C1CC1)N1CCc2c(nnn2-c2ccccc2)C1 329219653 ABCRIPOYIKRMOE-UHFFFAOYSA-N 351.435 2.800 0 50 FFAA Clc1ccccc1[C@@H]1CN(c2nccc(N[C@@H]3CCCOC3)n2)CCO1 333282213 PQVYLOMBULBTTQ-PBHICJAKSA-N 374.872 3.299 0 50 FFAA CNc1nc(CN2C[C@@H]3CC[C@H]2CN(Cc2c(C)noc2C)C3)cs1 252012206 SRNOHEZRSBOZFR-ZBFHGGJFSA-N 361.515 2.886 0 50 FFAA C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC(Nc2cccnn2)CC1 153183801 DYNJZRWJQCGVHC-OAHLLOKOSA-N 369.469 2.789 0 50 FFAA COc1ccccc1NC(=O)Cn1nnc(-c2ccc(SC)cc2)n1 679089 HFFZOOIVURIPEK-UHFFFAOYSA-N 355.423 2.709 0 50 FFAA O=C(Nc1ccccn1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6703047 LEFJAVFMQAIBPT-CQSZACIVSA-N 365.842 2.527 0 50 FFAA CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2ccccc2NC1=O 2325784912 SXHUAYVNSGRNEE-NUJGCVRESA-N 366.465 2.712 0 50 FFAA CC[C@@H](C)n1nc(-c2nccn3nccc23)nc1-c1cnc(OC)c(C)n1 2325863078 UPRCFLGFAUEEIX-LLVKDONJSA-N 364.413 2.733 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C1 2325889341 LIVOTNAVXZKRST-ZDUSSCGKSA-N 358.829 2.889 0 50 FFAA CCOC(=O)CN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 1112199 ZQPDAYBHJFLNNM-OAQYLSRUSA-N 364.401 2.622 0 50 FFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 1124549 MTZYUKDWLURXET-MRXNPFEDSA-N 364.195 2.869 0 50 FFAA CCOc1cc(CN2C[C@@H]3CNC(=O)[C@@H]3C2)c(Cl)cc1OC(C)C 2356137232 UDSPBJMLBDKKMM-UONOGXRCSA-N 352.862 2.704 0 50 FFAA COC(=O)c1ccc([C@H]2CCCN(Cc3cccc4ncnn34)C2)cc1 2356164419 RXFKTRKITFTFDZ-KRWDZBQOSA-N 350.422 2.896 0 50 FFAA CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1 4724270 BJQGFRNHIQAJEH-QGOAFFKASA-N 352.390 2.979 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2C)n2ncnc2N1 4987133 NMHIEKHSAMLXKC-PBHICJAKSA-N 354.410 2.598 0 50 FFAA O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680631 DXBAWYUPAQLPED-UHFFFAOYSA-N 364.492 2.505 0 50 FFAA C[C@H]1Cc2cc(C(=O)N3CCc4ccccc4C3)ccc2N1S(C)(=O)=O 10324534 QHGNEFUCGISEIY-AWEZNQCLSA-N 370.474 2.596 0 50 FFAA CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642751 XNRNNGPBEPRNAR-OZBYHRBSSA-N 370.486 2.769 0 50 FFAA in-vitro C[C@H](NC(=O)[C@@H]1CS[C@]2(C)CSCC(=O)N12)c1ccc(Cl)cc1 248232412 CGDJXHXEVYSZJS-YNZJMPHRSA-N 370.927 2.924 0 50 FFAA NC(=O)c1ccc(CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1 119030168 IIKPJVCHXAMTCK-SFHVURJKSA-N 352.438 2.572 0 50 FFAA CC1CCN(C(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)CC1 100570999 MUOAMTUYGRKATG-STEAMIEHSA-N 364.445 2.870 0 50 FFAA Cc1c(CN2CCCC3(CCNCC3)CC2)c(=O)n(-c2ccccc2)n1C 67894276 YARSHKYVCTZJDT-UHFFFAOYSA-N 368.525 2.840 0 50 FFAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCO[C@H](CN)C1 67458842 RZDYDYQBJWYMBR-CQSZACIVSA-N 355.360 2.828 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccccc3)ncn2)n1 65362227 MLPROCZNHPTCNE-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA C[C@@H](c1noc([C@H]2CC(=O)N(c3cn[nH]c3)C2)n1)c1c(F)cccc1F 350646071 NLYDSDARSOJXSX-ZJUUUORDSA-N 359.336 2.743 0 50 FFAA Cc1n[nH]c(CCC(=O)N[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 11663193 GNKIPPTZPYAHTJ-IBGZPJMESA-N 366.509 2.707 0 50 FFAA C[C@H]1CN(C[C@@H](C)O)CCN1Cc1c(F)cccc1OC(F)(F)F 252572025 YURAQBYVEDEGGA-NWDGAFQWSA-N 350.356 2.611 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)n1 65361899 YHTTVKYXCVMZEY-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA CCOC(=O)CSc1ncc(OC)c(Oc2ccc(OC)cc2)n1 1388546 BFUVUIPOYUIDBG-UHFFFAOYSA-N 350.396 2.941 0 50 FFAA CSc1ncc(CN2CCN(CC3CCCCC3)[C@H](CCO)C2)cn1 39466194 KGLTZPVJKIZBCP-GOSISDBHSA-N 364.559 2.647 0 50 FFAA CC1(C)C(O)=Nc2ccc(C(=O)N3CCN(C4CCOCC4)CC3)cc21 330230355 QMPBEDLNXFJLKO-UHFFFAOYSA-N 357.454 2.503 0 50 FFAA Cn1nccc1[C@@H]1C[C@@H](NC(=O)N2CCCc3ccccc3CC2)CCO1 333165926 IGGMJCQJYXNLAM-ICSRJNTNSA-N 368.481 2.841 0 50 FFAA CCCCn1nccc1NC(=O)C(=O)NCCc1c[nH]c2c(C)cccc12 153708095 KYXDYFGQYPEFEJ-UHFFFAOYSA-N 367.453 2.770 0 50 FFAA CC1(C)CC(=O)c2ccc(OCCCN3C(=O)NC(C)(C)C3=O)cc2O1 331656884 LJBSCOQCTINOES-UHFFFAOYSA-N 360.410 2.530 0 50 FFAA Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CCc3nnnn3CC2)cc1 333809084 ZUDZMBOZNCNLOT-DLBZAZTESA-N 354.458 2.623 0 50 FFAA O=C(CN1CC[C@@H](c2ccccc2)[C@@H](CO)C1)Nc1ccc(Cl)cn1 367228914 CPWJIWQMDFWHMI-WBVHZDCISA-N 359.857 2.772 0 50 FFAA O=C(c1cc(Cl)ccc1O)N1CCCC[C@H]1CCN1CCOCC1 77341410 HNZJOMUJNGYELF-HNNXBMFYSA-N 352.862 2.763 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCN1C(=O)CCc2ccccc21 237922688 RMNXSSJQVUYMKU-INIZCTEOSA-N 358.438 2.602 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)C2(CCCC2)O1 77471481 LITVKIAHOAGEQU-INIZCTEOSA-N 362.495 2.658 0 50 FFAA CC[C@@H]1CN(C(=O)Cc2cc(C)no2)CCC(=O)N1Cc1ccccc1 71738612 WJDGFOJGJAVPNC-QGZVFWFLSA-N 355.438 2.565 0 50 FFAA Cc1nc(O)cc(C2CCN(Cc3cc4ccccc4n(C)c3=O)CC2)n1 72163850 VVUNBRJOVGDDCZ-UHFFFAOYSA-N 364.449 2.722 0 50 FFAA COc1ccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)c(OC)n1 77406081 BUHLADHKCDNSIT-UHFFFAOYSA-N 352.394 2.557 0 50 FFAA CC[C@H]1COCCN1C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 77406453 BGGPBBLYYVKBBC-KRWDZBQOSA-N 373.474 2.912 0 50 FFAA Cc1ccccc1NC(=O)NCCNc1cc(-n2cnc(C)c2C)ncn1 72437057 IYKDERQNZIGFJS-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA CO[C@H](C)c1nc(CNC(=O)c2ccnc(NC(=O)C3CC3)c2)cs1 287747958 ZBVFNGHTVYMUQN-SNVBAGLBSA-N 360.439 2.524 0 50 FFAA Cn1cc(CN(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)C2CC2)cn1 426360120 IQUTYCNUMGOGKE-LJQANCHMSA-N 367.497 2.584 0 50 FFAA COC1(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)CCOCC1 291158748 KCZCJSASJFUNFM-IBGZPJMESA-N 360.498 2.601 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)N1Cc2ccccc2[C@@H](O)C1 82160704 XUIUCKXTSWEBKG-HNNXBMFYSA-N 353.378 2.728 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)NCc2nc(-c3ccccc3)cs2)C1 426669187 ZLCFLPXDUNSMBB-HNNXBMFYSA-N 374.510 2.530 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2nc[nH]n2)CC1 426604646 VSJPXOKKGYJZSO-UHFFFAOYSA-N 361.449 2.676 0 50 FFAA Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)sc2nc(C(F)(F)F)ccc12 178279973 LNEBPRQDZJHRJZ-VIFPVBQESA-N 374.340 2.549 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C1CCOCC1 238105499 PDKVPQKQEAJEKL-GJZGRUSLSA-N 371.355 2.901 0 50 FFAA O[C@H](CN(Cc1ccccc1)Cc1nnc2n1CCCC2)c1ccco1 267704042 JLNHISWDADLSOC-QGZVFWFLSA-N 352.438 2.943 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)c1ccccc1-n1cccn1)CC2 97604046 HPGYSISDRSOFBI-SFHVURJKSA-N 355.438 2.673 0 50 FFAA Cn1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c(=O)c2ccccc21 95369849 WIYHZEHSPOJXIC-OAHLLOKOSA-N 362.429 2.910 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)c1n[nH]c2c1CCCC2 96165069 AJWQJOJHQZLSRL-UHFFFAOYSA-N 367.453 2.878 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cc1 95391165 BAGJYQPHOOCICH-GOSISDBHSA-N 370.497 2.863 0 50 FFAA COc1cc(CN(C(=O)c2cc(-c3cccn3C)n[nH]2)C2CC2)ccc1O 91871819 SWZNZVGFBDVXPL-UHFFFAOYSA-N 366.421 2.934 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc[nH]c2C)CC1 95499082 MOFVEYGQBNKUJG-GOSISDBHSA-N 374.529 2.556 0 50 FFAA CC(C)CN(Cc1ccccn1)C(=O)[C@H](c1cccnc1)N1CCOCC1 95389082 ALPCXJBFANIFDT-FQEVSTJZSA-N 368.481 2.535 0 50 FFAA Cc1cc(NC(=O)NC2CCN(CC(=O)NC3CC3)CC2)ccc1Cl 97474879 XINFKHWPDOALOJ-UHFFFAOYSA-N 364.877 2.513 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)cn1 91665092 ANUBPJFPYZRZRS-UHFFFAOYSA-N 367.453 2.926 0 50 FFAA O=C(c1ccccc1Cl)N1C[C@H]2CN(CC3CCC3)C[C@@]2(C(=O)O)C1 96162360 WNEPOJYMGXPPBL-AUUYWEPGSA-N 362.857 2.599 0 50 FFAA Cc1c(CC(=O)NCCCO)c2c(n1Cc1ccccc1F)CCCC2=O 95511941 MJQPJZUYKVKVPO-UHFFFAOYSA-N 372.440 2.544 0 50 FFAA Cc1nc(COCC(F)(F)C(F)F)n(-c2ccc3c(c2)OCCO3)n1 96149050 HOYRLMSKAUQYPB-UHFFFAOYSA-N 361.295 2.764 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 244787611 QAGIYXFPEXBYCQ-GQIGUUNPSA-N 372.490 2.866 0 50 FFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2ncc[nH]2)CC1 252475014 QMSZNZDGDIYHSO-HDJSIYSDSA-N 351.410 2.565 0 50 FFAA O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H](O)CC1 297170267 ADOBFUUSOAFDKG-RNCFNFMXSA-N 373.222 2.578 0 50 FFAA COc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)on1 184890271 YTFCISIKZJKREC-NEPJUHHUSA-N 356.300 2.650 0 50 FFAA CN(C(=O)c1cc(C2CCCCC2)n[nH]1)c1ccc(N2CCOCC2)nc1 184801835 ZPBAYDDGUFXDIP-UHFFFAOYSA-N 369.469 2.966 0 50 FFAA N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 299753349 XXVKQIDWXQKBPA-IOASZLSFSA-N 367.287 2.867 0 50 FFAA Cc1cc(C)n(CCNC(=O)Cc2c(C)n[nH]c2-c2ccc(F)cc2)n1 253406287 IUVAVQGAKPVOCU-UHFFFAOYSA-N 355.417 2.696 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)N2CCC3(CCCO3)CC2)cc1 534651215 SZUFSVVQGRIQPW-UHFFFAOYSA-N 370.453 2.940 0 50 FFAA CN(C)C(C)(C)CNC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 534646621 MRNTXAXPGGAANI-OAHLLOKOSA-N 351.466 2.966 0 50 FFAA Cc1ncc(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)s1 67674525 KDZOKJCMZYHMJO-CQSZACIVSA-N 355.467 2.705 0 50 FFAA COCCNCC[C@@H]1CCC(=O)N1Cc1nc(-c2ccccc2)cs1 299785048 PXEZIBPXWUFMRJ-INIZCTEOSA-N 359.495 2.927 0 50 FFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-n3ccnc3)cc2)C1 299763374 ZZDNUKFICLWTGU-MRXNPFEDSA-N 369.469 2.985 0 50 FFAA CN1C(=O)C[C@H](C(=O)NCc2noc(-c3cccs3)n2)c2ccccc21 823748713 YYSJBFWJWICCKS-LBPRGKRZSA-N 368.418 2.565 0 50 FFAA Cc1csc(SCC(=O)NCc2noc(-c3cccs3)n2)n1 827847749 HPGPWQYCKBBUQU-UHFFFAOYSA-N 352.466 2.972 0 50 FFAA Cn1cnc(C(=O)N[C@@H]2CN([C@@H]3CCc4ccc(F)cc43)CC2(C)C)c1 1875406877 OFQYORDTSZHGTN-QZTJIDSGSA-N 356.445 2.687 0 50 FFAA Cn1cc(OC2(C(=O)NC[C@H]3C[C@@H](OC(C)(C)C)C34CCC4)CC2)cn1 1875404219 ABIIPYDCLJBRBG-GDBMZVCRSA-N 361.486 2.822 0 50 FFAA Cc1oc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)n(C)c2)c1C 1875407354 XTCAKKGIIOPYIT-IRXDYDNUSA-N 355.438 2.591 0 50 FFAA Cc1ncc(NC(=O)C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)s1 874341945 USIBJOLCVASYCC-SSDOTTSWSA-N 358.345 2.681 0 50 FFAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2cccn2C2CCCC2)n[nH]1 952888447 IWNCIPYLPITHSF-NVXWUHKLSA-N 357.458 2.674 0 50 FFAA OCC[C@H]1CCCCN1c1ccc(CN=c2nc3sccc3c[nH]2)cn1 1875273144 BHOCVQHOKNHHIG-MRXNPFEDSA-N 369.494 2.862 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)[C@]1(C)OCCc2ccccc21)c1ccccc1 1875386308 MIFXKFGCBJDJMA-DENIHFKCSA-N 364.445 2.634 0 50 FFAA NC[C@@H](C(=O)N(CCc1ccccc1)CC(=O)O)c1ccc(Cl)cc1 1875310019 ZQHCOAOKXWBTHQ-QGZVFWFLSA-N 360.841 2.538 0 50 FFAA Cc1nc(=O)c2c(C)c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)sc2[nH]1 886025646 PNXZYNSPRIGFQW-UONOGXRCSA-N 374.510 2.596 0 50 FFAA COc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565526023 UVJSMAZHLOFAMQ-PBHICJAKSA-N 357.454 2.950 0 50 FFAA CCn1cc(CN2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)cn1 1565530789 MKHQFQJKCGRZDR-UWJYYQICSA-N 350.510 2.967 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3sc(C)nc3C)C[C@@H]2NC(C)=O)cc1 1565511062 WQCXUCOOHUTCOJ-SJORKVTESA-N 373.478 2.513 0 50 FFAA C[C@@H]1CN(C(C)(C)CNC(=O)C2(C(=O)c3ccccc3)CC2)C[C@@H](C)O1 170607881 MAKCHCBIKZSOEJ-HZPDHXFCSA-N 358.482 2.654 0 50 FFAA CCc1nn(C)c2[nH]nc(NC(=O)[C@H](C)Cc3ccc(OC)c(F)c3)c12 186415699 UVNJUFHPGBVLCN-SNVBAGLBSA-N 359.405 2.824 0 50 FFAA Cc1cc2ncn(C[C@@H](O)COc3ccc4c(c3)NC(=O)CC4)c2cc1C 187351598 JSKCFFNRGWCMMG-MRXNPFEDSA-N 365.433 2.978 0 50 FFAA Cc1nnc2ccc(N[C@@H]3CCCN(Cc4c(F)cccc4F)C3)nn12 301253526 NARUFCNVXBYURV-CYBMUJFWSA-N 358.396 2.787 0 50 FFAA NC(=O)[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 225406088 MEUHAJOIPRFJQM-TYNCELHUSA-N 372.248 2.921 0 50 FFAA CN1C[C@@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1=O 192074518 JPEZZDZDGLDZDK-VIFPVBQESA-N 360.763 2.942 0 50 FFAA C[C@@H]1CCCCN1C1CN(S(=O)(=O)Cc2ccc(Cl)cc2F)C1 1506395936 JXRQKZLZZQCKLC-GFCCVEGCSA-N 360.882 2.868 0 50 FFAA C[C@@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1)c1ccc(F)cc1 1506411263 HRRLOBMPNQCEQU-KDOFPFPSSA-N 370.428 2.772 0 50 FFAA COc1cccc2c1C1(CCN(S(=O)(=O)c3ccccc3)CC1)OCC2 1704348829 HIRJOPFTSFCSCM-UHFFFAOYSA-N 373.474 2.948 0 50 FFAA CCOc1cc(C(=O)NCCCn2ccnc2)cc(OCC)c1OCC 5903998 FSAUPQRTQKRITO-UHFFFAOYSA-N 361.442 2.899 0 50 FFAA C[C@@H](NC(=O)C1(N2CCCCC2)Cc2ccccc2C1)c1cnn(C)c1 11841921 HTCBTEMUBRARKE-MRXNPFEDSA-N 352.482 2.621 0 50 FFAA OCC[C@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccccc1F 19608976 YXRJTDNIPWTHAT-KRWDZBQOSA-N 368.456 2.771 0 50 FFAA O=C(O)c1cccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1 1857740520 QXNXGZIZGSVUJB-WOJBJXKFSA-N 352.434 2.643 0 50 FFAA CNC[C@H]1CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 237276944 OPRPIFBLNNNCNF-GOSISDBHSA-N 364.449 2.737 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCN(C)C[C@H]1Cc1ccccc1 248165738 ZRLVTULPJCYINQ-CTNGQTDRSA-N 368.525 2.649 0 50 FFAA CC(C)(c1ccccc1)c1nnc(NC(=O)N2CC[C@H](O)C2(C)C)s1 463734522 BNPXVHWNSJUNSE-ZDUSSCGKSA-N 360.483 3.241 0 50 FFAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1csc(Cc2ccccc2)n1 263160055 IGYMDATVIWUFKE-ZFWWWQNUSA-N 358.463 2.988 0 50 FFAA O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)OCc1ccccc1 36109790 YOYKHVLSIUOJKE-SFHVURJKSA-N 354.406 2.513 0 50 FFAA in-vitro O=C(N[C@@H]1c2ccccc2OC[C@H]1F)[C@@H]1CSC(c2ccccc2O)=N1 928069922 HOFJUCNSFBHUTE-JKIFEVAISA-N 372.421 2.842 0 50 FFAA CC(=O)N(C)c1nc(CN[C@H](Cn2ccnc2)c2ccccc2)cs1 2325761160 AETSCGJJHLCVFD-QGZVFWFLSA-N 355.467 2.853 0 50 FFAA CN(C)Cc1ccc(NC(=O)c2cnc3[nH]nnc3c2)cc1C(F)(F)F 2325763226 XYBSALLRACYXGQ-UHFFFAOYSA-N 364.331 2.686 0 50 FFAA NC1(c2cccc(NC(=O)c3nc4ccccn4c3F)c2)CCOCC1 2325769127 JLMKVHVQYRLCRG-UHFFFAOYSA-N 354.385 2.690 0 50 FFAA CC(C)(CCS(=O)(=O)N1CCC[C@@]2(C)CCCC[C@H]12)S(C)(=O)=O 2325782970 PYZITPPLOCVGEZ-GOEBONIOSA-N 365.561 2.574 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1occc1-c1ccc(F)cc1 2325785494 BGTIHANSGKLDEP-MORSLUCNSA-N 369.396 2.852 0 50 FFAA Cn1cc([C@@H](NC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O)c2ccc(F)cc2)cn1 2325815710 FSZQLUNTICHKQT-WTGZGRDKSA-N 371.412 2.512 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 2325888293 DKMOMNWCTBSLCV-KRWDZBQOSA-N 372.440 2.672 0 50 FFAA C=CC(=O)N(C)CC(=O)N1Cc2cccc(Br)c2C[C@@H]1CC 861362755 YRVQOGWMMPLCFW-ZDUSSCGKSA-N 365.271 2.757 0 50 FFAA O=C(O)C1[C@@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@@H]1c1ccccc1 897614 FMUMEDHFYUKQRJ-VCAKUFKGSA-N 365.429 2.743 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=S)NCc2cnn(CC)c2)s1 1121877 AAFQBQSEQMHXDR-UHFFFAOYSA-N 352.485 2.800 0 50 FFAA COc1c(F)ccc(C(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)c1F 2356158848 BTSOHOONQCMNRS-IBGZPJMESA-N 366.408 2.979 0 50 FFAA Cc1cc(C)cc(N([C@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)c1 2864389 GIRHQPXCDGVDIO-QGZVFWFLSA-N 374.506 2.817 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)c1ccc(-c2nccc3ncccc23)cc1 2356166390 VUSGKVGERQLMEH-CQSZACIVSA-N 358.405 2.707 0 50 FFAA C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 2961011 HQEKYIRMSQDKNM-ZDUSSCGKSA-N 366.870 2.983 0 50 FFAA CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 4986232 WSFUCJBNEXOWSY-UHFFFAOYSA-N 370.540 2.678 0 50 FFAA CC1=NC(=O)C2(CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)N1 55200141 SUUSIUORXKSFFJ-UHFFFAOYSA-N 361.449 2.520 0 50 FFAA CCc1nc(CNC(=O)N2CCN(Cc3ccccc3OC)CC2)cs1 107854895 LOTCELXTTWKIDV-UHFFFAOYSA-N 374.510 2.742 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1S(=O)(=O)N1CCCC1 10541650 UPULIKQFQLESQI-AWEZNQCLSA-N 350.484 2.652 0 50 FFAA Cc1ccc([C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C(C)C)c(C)c1 65364004 OSEMNYMMMSHQBI-GOSISDBHSA-N 366.527 2.788 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCc2[nH]cnc2[C@H]1c1ccccn1 77518333 KZOMNJAKGZWUIE-HXUWFJFHSA-N 370.416 2.778 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)C1 421867793 GOWKZNMZMQTTLA-HXUWFJFHSA-N 357.429 2.877 0 50 FFAA Cc1nn2cc(CCNC(=O)c3ccc([C@H]4CCCN4)s3)nc2s1 20166762 ZCYUVFMOAAKRTF-GFCCVEGCSA-N 361.496 2.558 0 50 FFAA Cc1ccc(CN2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)o1 67432431 MPDFSFWUWUXFSI-UHFFFAOYSA-N 366.465 2.911 0 50 FFAA CC(C)(C)OC(=O)NC1CCN(c2ncc(Br)cn2)CC1 67368664 NVIWXGKUOOJQBZ-UHFFFAOYSA-N 357.252 2.733 0 50 FFAA COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1Cl 67821843 BPIUEIICUBPLGV-KRWDZBQOSA-N 351.834 2.825 0 50 FFAA CCC(O)(CC)CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 252533082 FUTUCXYOERYYNZ-UHFFFAOYSA-N 352.426 2.620 0 50 FFAA Cc1nnc(SCCNC(=O)c2cc(-c3ccccc3)nn2C)s1 65407705 WVTMIJOXXISABX-UHFFFAOYSA-N 359.480 2.769 0 50 FFAA CN(C)CCN(C)[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 20784451 XHCCNUVFCSENKT-HNNXBMFYSA-N 353.894 2.527 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)N(C)Cc2nc(C)c[nH]2)no1 67588507 CMOSHEYVYYGKCY-UHFFFAOYSA-N 370.409 2.874 0 50 FFAA C/C=C(\C)CN1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 12308351 BYRFULJYFCRXRU-RGTKQAGQSA-N 370.541 2.840 0 50 FFAA COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C 1530935 YREYEVIYCVEVJK-RUZDIDTESA-N 359.451 2.989 0 50 FFAA biogenic,fda CCC(=O)N1CCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 363966336 QZAOQEOUSPMKOV-UHFFFAOYSA-N 369.421 2.616 0 50 FFAA Cc1nnc(CS(=O)(=O)Cc2ncc(Cl)cc2Cl)n1C1CC1 122391841 POBUDAQBCGDPAM-UHFFFAOYSA-N 361.254 2.738 0 50 FFAA Nc1c(F)cc(I)cc1I 75629606 FIOIEYFUKOZCHS-UHFFFAOYSA-N 362.911 2.617 0 50 FFAA CC(C)n1ncc2c1[C@@H](NC(=O)c1cnc(OCC3CC3)cn1)CCC2 366952005 NHBXDLILFLBPHQ-HNNXBMFYSA-N 355.442 2.850 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C2)c1 77299339 NSLGFSSXQPWBCB-OAHLLOKOSA-N 365.433 2.910 0 50 FFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cccc(=O)n4C)C3)nc2c1 155784749 BSHVMCMITHJPNI-AWEZNQCLSA-N 350.422 2.590 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnc3nc(C)cc(C)n23)cn1 328634976 MZYWLUUDLPTKCB-ZWKOTPCHSA-N 354.458 2.572 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2cnc3ncccn23)CC1 328625686 DKRCTQMSLPZQTI-GOSISDBHSA-N 350.470 2.611 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3csc(N(C)C)n3)cc2)n1 77298083 BECWYOKZAOJBQV-UHFFFAOYSA-N 355.467 2.942 0 50 FFAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)NCC1(CF)CCOCC1 331630166 SJNJSKOYOSFRFC-BQFCYCMXSA-N 356.482 2.868 0 50 FFAA CCN1CC[C@]2(CCN(C(=O)c3cn(CCC4CCCCC4)nn3)C2)C1 11717454 YPVYTMILWGUZBD-FQEVSTJZSA-N 359.518 2.806 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)NCc1cc(-c2ccc(C)cc2)on1 219263106 WQUBYJDQMUPGLG-INIZCTEOSA-N 357.410 2.887 0 50 FFAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(-c3ccn[nH]3)s2)C1 215567212 XADWDIZIUIEBOL-KBPBESRZSA-N 352.463 2.919 0 50 FFAA COc1ccccc1CC1(O)CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 373976611 ZCCXAXDWJYSCAA-QGZVFWFLSA-N 359.466 2.550 0 50 FFAA Cc1noc(C)c1CCN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 127097329 FJEIEVFJJKVVKY-FQEVSTJZSA-N 353.422 2.790 0 50 FFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccoc2C2(O)CCOCC2)C12CCC2 375093214 IVKWGLUXBXXADZ-CVEARBPZSA-N 363.454 2.697 0 50 FFAA CN(C)c1ccnc(NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1 376612740 NCZRNCJNLHEHHV-BRWVUGGUSA-N 367.453 2.579 0 50 FFAA CCCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 72156284 WNZUBGNLVYWPAO-GOSISDBHSA-N 354.491 2.853 0 50 FFAA CCOc1ncccc1C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71440442 VXXIHKUWDGMUNO-QGZVFWFLSA-N 359.470 2.589 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 237996952 ZSOCDBHJKXLUSC-GFCCVEGCSA-N 362.817 2.780 0 50 FFAA c1cncc(CO[C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 216044947 TZHKKRSMVVNNOY-KRWDZBQOSA-N 374.510 2.556 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sc(C)c(C)c2C(N)=O)C1 17072721 CXJGDABQUUDLPG-NWDGAFQWSA-N 350.440 2.850 0 50 FFAA CSc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 77377614 CLZCPQMITWIMQN-UHFFFAOYSA-N 372.538 2.925 0 50 FFAA CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 72475749 BLWATTCNVJCPNR-HNNXBMFYSA-N 359.470 2.939 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CCc3ccccc3O2)n1 221354437 HKPJOYRBNWQZJP-AWEZNQCLSA-N 365.355 2.856 0 50 FFAA Cn1nnc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)n1 292818003 XRBIGQFWYBPCJB-ZDUSSCGKSA-N 355.364 2.581 0 50 FFAA Cn1ccnc1-c1ccc(C(=O)N2CCN(C3CCSCC3)CC2)cc1 426667293 BCWCASZGRHSZPL-UHFFFAOYSA-N 370.522 2.741 0 50 FFAA CCCc1ccc(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)o1 95386715 QRSZCCZCCUKLOY-INIZCTEOSA-N 368.485 2.985 0 50 FFAA O=C(c1cscn1)N1CCC(c2nccn2Cc2cccnc2)CC1 91365321 TZECZTFLJMGJJD-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA O=C(Nc1ccnn1Cc1cccc(Br)c1)C1CCNCC1 236569966 NFVGKLPIMRFELD-UHFFFAOYSA-N 363.259 2.632 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1 426503086 SJELIGZIXJZHDJ-OAHLLOKOSA-N 364.405 2.536 0 50 FFAA CN(CC(=O)NCc1cc(C(F)(F)F)ccc1Cl)C1CCNCC1 97730257 HTQWYOOLLZJYMB-UHFFFAOYSA-N 363.811 2.659 0 50 FFAA O=C(NCCSC1CCCCC1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 97713599 NLVSDWMQEKTCBL-CQSZACIVSA-N 362.495 2.927 0 50 FFAA OCCCc1cn(C2CCN(Cc3nc4ccccc4s3)CC2)nn1 23580556 ISZFPRPSHUQIIC-UHFFFAOYSA-N 357.483 2.650 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C 267506738 YRZAHKTZIGSZFC-MJGOQNOKSA-N 359.514 2.566 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc2ccccc12 239164878 NBPDULKKVXOPCZ-KPARWEMLSA-N 372.424 2.831 0 50 FFAA CCCn1cc(C(=O)NCc2c[nH]nc2-c2ccc(OC)cc2)c(C)n1 92028809 BZHLTUGMZLHYGH-UHFFFAOYSA-N 353.426 2.930 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)CC3CCCC3)C2)n1C 95383119 AYSCOYGSPDETEL-KRWDZBQOSA-N 370.501 2.655 0 50 FFAA CCCc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3OC)C2)cn1 91726251 YEGDUNGAWIWTJU-DLBZAZTESA-N 355.438 2.738 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc(C(C)=O)s2)[C@H]2C[C@H](O)C2)c1 252535789 GWMPYRMZDMZQTN-BNLOLNQZSA-N 360.435 2.596 0 50 FFAA Cc1nccn1CCCNC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1 534674502 SGQQNZQCOTUQMX-UHFFFAOYSA-N 364.453 2.535 0 50 FFAA O=C(c1cccc2nccnc12)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65533956 YEMJUUQPNQQOGA-MAUKXSAKSA-N 351.381 2.760 0 50 FFAA O=C1C[C@H](Sc2nc(-c3ccco3)cc(C(F)(F)F)n2)[C@H]2CO[C@H]1O2 103000542 NTOFWZUELGTYOL-MDZLAQPJSA-N 372.324 2.930 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCO[C@H](CCN)C3)c2)cc1OC 299784421 LVRAXVXMQWMOMR-GOSISDBHSA-N 370.449 2.561 0 50 FFAA Cc1cc2occ(CC(=O)N3CCOC[C@H](CN(C)C)C3)c2cc1Cl 299761536 UYBBQTMKHRMJHV-CQSZACIVSA-N 364.873 2.974 0 50 FFAA O=C(CCNC(=O)c1ccccc1F)NCc1nc2c(s1)CCCC2 299793919 KLYSFWXBUXNIPI-UHFFFAOYSA-N 361.442 2.597 0 50 FFAA O=S(=O)(CC1CCCC1)NCc1nc(-c2ccccc2Cl)no1 825598286 RJQSGRTTYPILMR-UHFFFAOYSA-N 355.847 3.000 0 50 FFAA Cc1ccc2nc(CNC(=O)N(Cc3cnn(C)c3)C3CC3)[nH]c2c1C 584900941 BQSYPXPORBUCFJ-UHFFFAOYSA-N 352.442 2.787 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCC[C@@H](c4ccncn4)C3)cc2)nn1C 584903798 GDWZAIYZLAEPCL-QGZVFWFLSA-N 362.437 2.600 0 50 FFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCCn3ccnc3C)c2)on1 670433833 GXMBFJXQRKXICP-UHFFFAOYSA-N 374.466 2.832 0 50 FFAA CN(CCc1ccccc1O)C(=O)NC[C@@H]1C(F)(F)C12CCOCC2 1875301422 JZKXLXQFCWCTNS-HNNXBMFYSA-N 354.397 2.638 0 50 FFAA CC(=O)N[C@@H](C)c1cc(Cl)cc(-c2ccc(S(N)(=O)=O)cc2)c1 1875335042 QJFPWCJNRVHHNY-JTQLQIEISA-N 352.843 2.852 0 50 FFAA CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3C)C2)cn1 952966073 FYCMYSSEIBQMLU-MRXNPFEDSA-N 363.483 2.691 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)c(F)c1 1565513556 MHLFRJLIEQBKTL-RDJZCZTQSA-N 369.440 2.966 0 50 FFAA COc1ccc(C(=O)C[C@H](C)C(=O)N2CCN(c3nccs3)CC2)cc1 170594468 TWJCVBGESNUGLJ-AWEZNQCLSA-N 373.478 2.709 0 50 FFAA CONS(=O)(=O)c1ccc(C(=O)NCc2c(C)oc3ccccc23)cc1 170596944 LFPVPNROYOFPJQ-UHFFFAOYSA-N 374.418 2.511 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1C[C@H]1c1c(F)cccc1F 170644398 AYRQSAUJJWLZRS-GHMZBOCLSA-N 364.421 2.642 0 50 FFAA Cc1nc(-c2cccnc2)nc(N[C@@H](C)C(=O)NCc2ccco2)c1C 170652837 QUYIQOCPLPFUCY-AWEZNQCLSA-N 351.410 2.865 0 50 FFAA Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1C(=O)O 170851751 RBZIUUDQCKPQQL-UHFFFAOYSA-N 357.391 2.680 0 50 FFAA COCCn1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cn1 225413953 XTNYCDZMOFXOQL-WBVHZDCISA-N 366.506 2.655 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704358436 MDHUHBFUCJBYKD-SJLPKXTDSA-N 354.454 2.528 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)NCc1csc(-c2ncccn2)n1 1772704153 PHATTXGWPDYTAX-UHFFFAOYSA-N 360.826 2.818 0 50 FFAA COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(C)(=O)=O)cc1 5490927 DVMQLCUFMYSXSX-UHFFFAOYSA-N 372.446 2.811 0 50 FFAA Cc1cccc(NC(=O)CCC2CCN(C(=O)CCn3cncn3)CC2)c1 11843144 ZPIVLAOPBJXFQH-UHFFFAOYSA-N 369.469 2.634 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc(OC)c3)C2)nn1 15007474 HXAXUSRXHVJKEA-QGZVFWFLSA-N 371.485 2.606 0 50 FFAA O=S(=O)(NCc1cccnc1Oc1ccccc1F)c1cccnc1 15076137 VHKIIDGJRMCVGL-UHFFFAOYSA-N 359.382 2.887 0 50 FFAA COc1ccc(Cc2n[nH]c3c2CN(Cc2ccncc2)CC3)cc1OC 19720678 WLXXIJODPHVPAE-UHFFFAOYSA-N 364.449 2.971 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)cc1 19808354 LEHCRVWRLZJMAC-IBGZPJMESA-N 350.418 2.776 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc(-n3cccn3)ccc1Cl)C2 1857676130 JZTOBHRCOZEFLE-SFHVURJKSA-N 374.828 2.583 0 50 FFAA CN(C)CCN(C)C(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857695567 OWFNJYABNWUXAA-CYBMUJFWSA-N 364.877 2.718 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)NC2CCC2)CC[C@H]1NC(=O)c1cncc(C)c1 1875249369 YNVCAAGCWJWKLR-KFKAGJAMSA-N 373.497 2.752 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1 328655969 YWIXCQWSXYIXBO-HKUYNNGSSA-N 370.501 3.130 0 50 FFAA Oc1n[nH]c([C@H]2CCCCN2Cc2cc(Cl)c3c(c2)OCCO3)n1 333200476 XPFKKWIKQWDGKO-GFCCVEGCSA-N 350.806 2.662 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCOCC1 238068903 BCNJWUBNIBODFL-JKSUJKDBSA-N 351.830 2.926 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CCc3ccc(O)cc3)C1)CC2 1704312018 JGZNDVQLYIFVJW-NRFANRHFSA-N 352.482 2.771 0 50 FFAA COC(=O)c1nn(Cc2cc(Cl)n(C)n2)c(C2CC2)c1Br 2325758837 YQXSUFVWKLPHQY-UHFFFAOYSA-N 373.638 2.745 0 50 FFAA C[C@@H]1C[C@@H]1c1nnc2ccc(=NCc3cc(C(F)(F)F)sn3)[nH]n12 2325796401 NTSJQUZOBKMOKE-APPZFPTMSA-N 354.361 2.757 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2)C1)[C@@H]1NCCc2c1ccc(F)c2F 2325829445 KGPUGOPBPAQRDU-VBKZILBWSA-N 371.431 2.937 0 50 FFAA C[C@@H](C[C@H](C)NC(=O)C1(C2CC2)CC1)NC(=O)Cc1cc(C2CC2)on1 2325868195 RUGOBBCWDBEVLU-STQMWFEESA-N 359.470 2.684 0 50 FFAA CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 626332 UGFVMHUEBKYJGS-UHFFFAOYSA-N 364.858 2.626 0 50 FFAA CCOC(=O)c1[nH]c(C)c(C(=O)OCc2ccccc2)c1CCC(=O)OC 639904 MSIMBZOJKCLERC-UHFFFAOYSA-N 373.405 2.962 0 50 FFAA C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CF 1691626 RKZQIIAUELZWEU-LXYRKZDWSA-N 362.441 2.535 0 50 FFAA CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cnccn1 2366035 QXGCWNKIKAHVDD-UHFFFAOYSA-N 358.402 2.625 0 50 FFAA COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1 2835299 HPAVBOXPJUQOBN-LUAWRHEFSA-N 350.168 2.986 0 50 FFAA COc1cc(OC)cc(C(=O)NCc2nc(-c3cccc(C)c3)no2)c1 4843369 CMBIDUFLMKKRCX-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA COC[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCCO1 225714460 MDQLCVZPGMZQTN-STQMWFEESA-N 353.362 2.586 0 50 FFAA Cc1[nH]n(-c2ccccc2)c(=O)c1Cc1c(C)[nH]n(-c2ccccc2)c1=O 101361545 IXVLXYDEWZLQMN-UHFFFAOYSA-N 360.417 2.852 0 50 FFAA CC[C@H]1CCCN(C(C)(C)CNC(=O)c2n[nH]c3ccccc3c2=O)C1 111633615 QZACUKHLQBRPIJ-AWEZNQCLSA-N 356.470 2.554 0 50 FFAA COc1nc2c(cc1C(=O)N(C)Cc1cc(-c3cccnc3)no1)CCC2 65396211 FBWJXFJMGZQNDQ-UHFFFAOYSA-N 364.405 2.901 0 50 FFAA O=C(c1ccoc1)N1CCCN(C(=O)c2ccc([C@H]3CCCN3)s2)CC1 23312337 DZBMQBBMXCAQSN-OAHLLOKOSA-N 373.478 2.754 0 50 FFAA NC(=O)[C@H]1Cc2ccccc2CN1Cc1c[nH]nc1-c1ccc(F)cc1 55224656 WTHPLNDCZPOYSJ-GOSISDBHSA-N 350.397 2.628 0 50 FFAA CCn1c([C@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)nn(C)c1=O 67841997 IHNHVIKAKCLZFJ-INIZCTEOSA-N 367.453 2.636 0 50 FFAA CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)cc1C 65363187 QKIAXFFZNMWQEB-RDJZCZTQSA-N 352.500 2.542 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CCCOC2)nc1 67689195 RRTRPTSOXKEWFS-KRWDZBQOSA-N 371.485 2.813 0 50 FFAA O=C(Nc1ccccc1)c1cc2n(n1)CCCN(Cc1nccs1)C2 65375927 OKXLHKJWDPKXAV-UHFFFAOYSA-N 353.451 2.998 0 50 FFAA Cn1ccnc(N2CCC[C@H](NCc3cnc(C4CCCC4)s3)C2)c1=O 328642563 RCSHKGBYDUYFEI-HNNXBMFYSA-N 373.526 2.653 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(Cc3cccc4c[nH]nc34)CC2)no1 328656359 ZGHGMSUORKUWIM-QGZVFWFLSA-N 354.458 2.741 0 50 FFAA CCc1nnc(-c2nc3c([nH]2)C[C@@H](c2ccccc2OC)CNC3=O)s1 65374961 OZLGBELCWNNMDP-SNVBAGLBSA-N 369.450 2.569 0 50 FFAA Cn1cc(Br)c(C(=O)Nc2ccc(Br)cn2)n1 672962 OYXNIXUHESJWBB-UHFFFAOYSA-N 360.009 2.592 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1CCCn1cccn1 12703605 ROZYOVILWDDMFB-LJQANCHMSA-N 364.453 2.562 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccc(C)cc2)cc1OC 3626939 JQCVNOVDPXPNES-MRXNPFEDSA-N 373.405 2.723 0 50 FFAA CC[C@H](C)NCc1cc2c(nc1OC)CN(CCc1ccccn1)C2=O 71763135 WVDSVYAIPBKEHO-AWEZNQCLSA-N 354.454 2.572 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2=O)c1 77322339 WFHORRSPBFGIDG-INIZCTEOSA-N 369.490 2.742 0 50 FFAA CN1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C(C)(C)C1=O 154122109 FTXCSSZJFIQMKX-UHFFFAOYSA-N 353.422 2.912 0 50 FFAA O=C(C[C@@H]1CCCN1C(=O)[C@H]1CCn2ccnc2C1)c1ccc(F)cc1 333211168 UAUFJHWVYLBBKY-RDJZCZTQSA-N 355.413 2.849 0 50 FFAA Cc1cnc(NCCc2nc3ccc(F)cc3[nH]2)nc1-c1ccnn1C 39355061 HMDYBXRUCBDZCH-UHFFFAOYSA-N 351.389 2.856 0 50 FFAA CCCOCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 72164585 LCOCJOGWHJKYBK-SFHVURJKSA-N 364.461 2.838 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)CCCCc2nc3ccccc3s2)CCO1 238051427 WLYXLJOEUNYPJU-ZDUSSCGKSA-N 362.451 2.711 0 50 FFAA COCc1ncsc1C(=O)NC1(c2cccc(F)c2)CCOCC1 284363064 NWGFPJXCGOEEMV-UHFFFAOYSA-N 350.415 2.864 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3sc(N(C)C)nc3Cl)C2)cc(=O)[nH]1 72149035 NUXLTCYZEMNAPH-LLVKDONJSA-N 367.906 2.634 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 14974178 HSWZXXFQRAWTQA-OAQYLSRUSA-N 363.546 2.909 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)Cc3cnc4ccccn34)C2)c1 77299342 NSLGFSSXQPWBCB-HNNXBMFYSA-N 365.433 2.910 0 50 FFAA O=C(c1ccc(CO)cc1)N1CCC[C@@](Cc2ccc(F)cc2)(C(=O)O)C1 71551675 LMPBHEAOADELDR-NRFANRHFSA-N 371.408 2.868 0 50 FFAA CN(CCOc1ccc(Cl)cc1)[C@H]1CCCN(c2cnn(C)c2)C1=O 158384361 DCVNKQYFMLQSGP-KRWDZBQOSA-N 362.861 2.580 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 35088645 GGAYKOPTOLHDON-FCGDIQPGSA-N 370.534 2.599 0 50 FFAA Cc1c(CN2CCC[C@H](Cn3ccnc3)C2)c(=O)n(-c2ccccc2)n1C 72164261 ZUSMULHZCMQLJT-SFHVURJKSA-N 365.481 2.593 0 50 FFAA CS(=O)(=O)[C@H]1CCC[C@@H](NCCc2nc(-c3ccccn3)cs2)C1 242338958 ZDUJXNMRJBMSJF-KGLIPLIRSA-N 365.524 2.693 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc(C)cc2C)CC1 77356778 OEWRBELJLJEAMH-UHFFFAOYSA-N 369.513 2.996 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCCn2nc([C@H](C)O)cc2C1 219758184 JPDRNTUOEUHNFQ-ZDUSSCGKSA-N 370.428 2.840 0 50 FFAA CSc1ncc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 72165215 HDXKPERBNFTXEQ-SFHVURJKSA-N 368.506 2.514 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2cnn(C)c2C)[C@@H]2C3CCN(CC3)[C@H]12 72150531 CFMUBDGSHIVNMD-CEMLEFRQSA-N 366.509 2.799 0 50 FFAA COc1cc(C(=O)N2CCN(Cc3ccc(C(=O)O)cc3)CC2)ccc1C 263565978 FVSPCIFTNORZLA-UHFFFAOYSA-N 368.433 2.660 0 50 FFAA CCOCCCN1C(=O)CC[C@@H]2CN(Cc3ccc(OC)cc3)CC[C@@H]21 20449578 RXZWHXAHTREYFV-QUCCMNQESA-N 360.498 2.935 0 50 FFAA C[C@@]1(c2ccccc2F)NC(=O)N(Cc2noc(-c3ccccc3)n2)C1=O 177260589 MSGIQDOSESEGBE-IBGZPJMESA-N 366.352 2.843 0 50 FFAA COc1cccc(-c2ccc(C(=O)NC(C)(C)c3nnc(N)s3)o2)c1 426647913 LCLNPJABZHOPQT-UHFFFAOYSA-N 358.423 3.054 0 50 FFAA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCC4)C2)nn1 48267888 VZYOSOFMASGDRX-OAHLLOKOSA-N 370.501 2.631 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222551865 UEGVLJLSSVTKIA-HZPDHXFCSA-N 364.804 2.769 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N(C)C[C@@H]1Cc3ccccc3O1)cn2C 223040573 LLJAOERUQWTBLQ-INIZCTEOSA-N 362.429 2.923 0 50 FFAA Cc1cccc(=O)n1CCCNC(=O)CSc1cn(C)c2ccccc12 426563183 GEIDWWRLETYPLA-UHFFFAOYSA-N 369.490 2.947 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nc[nH]n1 97681851 OUSUVSRNHNQYRB-OAHLLOKOSA-N 361.449 2.648 0 50 FFAA O=C(NC[C@H]1CCOC1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 426421100 IRHMHSWLWUEEHR-MRXNPFEDSA-N 366.465 2.900 0 50 FFAA Cc1c(CN2CCC3(CC2)NC(N(C)C)=NC3=O)[nH]c2c(Cl)cccc12 97766643 JITLUVRAVGNCHT-UHFFFAOYSA-N 373.888 2.512 0 50 FFAA CCn1ccc(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)n1 95505961 IZMLOYWWNWMOSN-UHFFFAOYSA-N 366.465 2.558 0 50 FFAA Cn1c(CO)nnc1[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 97570944 ORLRUMVKPCCPTF-LBPRGKRZSA-N 355.269 2.994 0 50 FFAA COc1ccc(-c2ncc(CN3CCC[C@@H]3c3nc(C)n[nH]3)cn2)cc1 97463539 UXTWTOMEAGJTHC-QGZVFWFLSA-N 350.426 2.916 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1 96164602 ZVTJVIBJNBWLOD-INIZCTEOSA-N 366.425 2.768 0 50 FFAA COc1ccc(F)c(F)c1CN1CCN(Cc2ccccc2CO)CC1 97436794 RLCALILFIULYHQ-UHFFFAOYSA-N 362.420 2.784 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)cc1F)CC2 91663209 QUERSUSROGEWCM-UHFFFAOYSA-N 374.435 2.974 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)C[C@@H](c2ccccc2)C1=O 91434338 IOANIRKCXNCGAT-KRWDZBQOSA-N 366.465 2.668 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)cs1 97744737 JSBYVXBMSOQASD-OAHLLOKOSA-N 370.474 2.683 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)ccc1O)CC2 91997982 CJNYYVIWRVXJBH-UHFFFAOYSA-N 350.846 2.910 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 95389509 IRLSNHZPGZQIJV-QGZVFWFLSA-N 369.465 2.759 0 50 FFAA O=C(c1cc(C2CC2)no1)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91655988 YHTCMFANLAOSJL-FQEVSTJZSA-N 357.454 2.949 0 50 FFAA Cc1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)ncn1 91872603 DDQIRPLDKUOWEB-INIZCTEOSA-N 368.485 2.662 0 50 FFAA CC(C)CN1C[C@@H](OCc2ccccc2)CN([C@H]2CCSC2)CC1=O 244734495 NGOSMZIUSRXQJD-OALUTQOASA-N 362.539 2.878 0 50 FFAA O=C(c1ccccn1)N1CCC(N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 244874697 XFUNJBGNFFZVPQ-GMBSWORKSA-N 371.506 2.850 0 50 FFAA O=C(N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1)c1ccc(Cl)c(F)c1 252551854 UICSSSQODNZDAN-XYPYZODXSA-N 364.808 2.574 0 50 FFAA COC(=O)[C@@H](C)NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 252549269 QZRSTEQCBORGQS-GFCCVEGCSA-N 351.358 2.751 0 50 FFAA C/C(=C\C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 269048519 UNIBESDVWNKIGB-OIOXUXFSSA-N 357.328 2.811 0 50 FFAA O=C(NCCCN1CCCC1=O)c1cccc(-c2cccc3ccnn23)c1 534636580 GCOVZJKWUFGBMC-UHFFFAOYSA-N 362.433 2.744 0 50 FFAA CCn1c(C2CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)n[nH]c1=O 65388198 SXZWWLUGGMBDPY-OAHLLOKOSA-N 362.499 2.884 0 50 FFAA CN1CCC(Cc2nc(-c3ccc(=O)[nH]c3)n(-c3ccccc3F)n2)CC1 95509034 XHRSPAJXGSLCTJ-UHFFFAOYSA-N 367.428 2.646 0 50 FFAA O=C(CCCn1cncn1)NC[C@H](c1ccccc1)N1CCCCCC1 299776401 KJMPRQJDSCHVFK-LJQANCHMSA-N 355.486 2.792 0 50 FFAA Cc1ccnc(SCC(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 299764635 BUBVEUJVLYMPJY-KRWDZBQOSA-N 356.495 2.515 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccccc3-c3ncc[nH]3)[C@H]2C1 299798903 SWHRIQFZVIZKEU-CFLQYTFWSA-N 355.438 2.875 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)C1 1875371693 JJTNZIXLGPGBIT-JTQLQIEISA-N 364.858 2.577 0 50 FFAA CCCC(=O)NC[C@H]1CN(C(=O)c2csc(O)n2)Cc2ccccc21 1875337690 ZGHIOVVDDLFUGU-ZDUSSCGKSA-N 359.451 2.505 0 50 FFAA CN1C[C@@H](N)C[C@H]1c1nc(-c2cccc3c2ccn3C)nn1C(C)(C)C 952861032 BPOWHHZXIXJYQS-GUYCJALGSA-N 352.486 2.896 0 50 FFAA COc1ccc2c(c1)[C@@H](NS(=O)(=O)N1CCCCC1)CC(C)(C)O2 1506400823 LDOOMARDUCYGMQ-HNNXBMFYSA-N 354.472 2.618 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc(Cl)ccc1O 1565512224 LXTWVHJJZUYIPH-DOMZBBRYSA-N 362.857 2.909 0 50 FFAA O=C(Cn1ccc2ccccc21)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565529262 XHCUMOYFHJKTJK-WMZOPIPTSA-N 371.462 2.588 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)NCC(C)(C)CN1CCCC1 170611204 RZHLWTOITICBBD-UHFFFAOYSA-N 360.502 2.561 0 50 FFAA CCN(CC(=O)NCC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 225670249 DURONFQWRUUTJE-MRXNPFEDSA-N 353.507 2.624 0 50 FFAA CN(C(=O)[C@H]1CCCc2c(O)cccc21)c1ccc(N2CCOCC2)nc1 191023027 NZALOLVTIVWKND-SFHVURJKSA-N 367.449 2.707 0 50 FFAA C[C@@H]1CCN(C(=O)c2ccn(CC(F)F)n2)CCN1Cc1ccccc1 194233308 JZVUTHLSFHNYRT-OAHLLOKOSA-N 362.424 2.885 0 50 FFAA CCCN(CC)c1ccc(C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)cn1 779853899 KEFZTPWFUPJIGE-HZPDHXFCSA-N 373.457 2.612 0 50 FFAA COc1cc(-c2onc(N3CCC[C@H](CCN)C3)c2C(=O)O)ccc1F 1704312690 IPOBFQQBAGZZTO-LLVKDONJSA-N 363.389 2.753 0 50 FFAA Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](C2(O)CC2)C1 1772805708 PVLCSKUCXPUDMX-OAHLLOKOSA-N 362.451 2.576 0 50 FFAA O=C([C@@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982384 UFXUAJIMPIADNG-YHELAOLJSA-N 351.446 2.948 0 50 FFAA COc1cccc2ccc(N3CC[C@@H](O)[C@@](CC4CC4)(C(=O)O)C3)nc12 1772710987 VHTRYYWLSMABDA-UZLBHIALSA-N 356.422 2.686 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(c2ccnc(O)c2)CC1 1772805578 PJSFCMYRXFBTCH-OAHLLOKOSA-N 351.450 2.944 0 50 FFAA CCc1nccn1CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 11662190 QTXDZLDBNYYXNW-LJQANCHMSA-N 354.498 2.659 0 50 FFAA CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 11840227 WHKWJLZVCRMQIO-NRFANRHFSA-N 374.431 2.950 0 50 FFAA CN1CCCc2cc(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3)ccc21 11932690 CYTVPJXHPQHVHT-HXUWFJFHSA-N 364.493 2.858 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1coc(COc2ccccc2)n1 12072758 WQCWSEQWDRMJJP-UHFFFAOYSA-N 352.346 2.912 0 50 FFAA Cn1ccnc1[C@@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 12316980 ONZQNLLPZSWGMI-AWEZNQCLSA-N 367.409 2.926 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 223004433 JKZXFJQSXOSUAC-QYWGDWMGSA-N 353.466 2.850 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(c4ccc(F)cn4)CC3)n[nH]c21 1857529118 XMUKPNMDQTVMFJ-NEPJUHHUSA-N 358.417 2.986 0 50 FFAA Cc1cc(C)n(CCc2nnc(NC(=O)c3sc(C)nc3C)s2)n1 1875251230 ZTFCQNJOLUXHTN-UHFFFAOYSA-N 362.484 2.920 0 50 FFAA COc1ccc(CCC(=O)N2CC[C@](C)(C(=O)O)C2)cc1Br 237189664 QGOGIKWPHSNQBY-INIZCTEOSA-N 370.243 2.714 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C1CCOCC1 238105347 LPGSFIMUFIMLKY-NEPJUHHUSA-N 355.793 2.675 0 50 FFAA CC[C@](NC(=O)c1cc(C)nc2c1c(C)nn2C)(C(=O)O)c1ccccc1 262473454 SOBACXRLCHLHSU-HXUWFJFHSA-N 366.421 2.705 0 50 FFAA CN1CCC[C@]2(CO)CCN(C3CCN(c4cccc(F)c4)CC3)C[C@@H]12 1704339843 YHHWCTNRGGELIE-NHCUHLMSSA-N 361.505 2.573 0 50 FFAA CC(C)(N)C(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704307611 CEVDLLXIUQMPLE-OAQYLSRUSA-N 350.466 2.687 0 50 FFAA COc1cccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1OC 8016781 YPRNOIQGOZLJES-LBPRGKRZSA-N 370.405 2.995 0 50 FFAA Cc1ccc2c(c1)[C@@H](C(=O)O[C@@H](C)C(=O)c1ccc3c(c1)NC(=O)CO3)C2 2325760344 WGNZBONQWDXTDQ-LRDDRELGSA-N 365.385 2.780 0 50 FFAA O=C(NC[C@]12CCCN[C@H]1C2)N1CCc2sc(Br)cc2C1 2325766231 DLQOUTNVBHJBFJ-SWLSCSKDSA-N 370.316 2.720 0 50 FFAA COC(=O)[C@@H](CNC(=O)CC/C=C/Br)Cc1ccc(F)cc1 2325771288 XHJYTVZRZYSXBF-XOUYHXJHSA-N 372.234 2.962 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NC[C@H](Cc1ccccc1)c1ccccc1 2325779665 WNSJTOMOEZNKFZ-IBGZPJMESA-N 364.445 2.572 0 50 FFAA CN(C)CCC[C@@H]1CN(C(=O)Nc2ccc(NC3CCC3)nc2)CCO1 2325807628 HYIRUXNJSJMERL-QGZVFWFLSA-N 361.490 2.621 0 50 FFAA CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc(-c2ccncc2)nc1O 2325860103 XPXFSMVZQMDPDB-LJQANCHMSA-N 360.417 2.766 0 50 FFAA O=C(NN1C(=O)c2ccccc2[C@@]1(O)Cc1ccccc1)c1ccccc1 1121250 DJDYJYAZSVOHCG-QFIPXVFZSA-N 358.397 2.875 0 50 FFAA COc1cc(CNCc2cccnc2)ccc1OCC(=O)NC(C)(C)C 4458595 HXVOZCQBVJOBJO-UHFFFAOYSA-N 357.454 2.674 0 50 FFAA CCN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 4857877 VQIFRGRQUGSIHQ-UHFFFAOYSA-N 365.282 2.626 0 50 FFAA O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@H]1CO 172457478 OONJTHJIOTXOMI-LLVKDONJSA-N 356.304 2.744 0 50 FFAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC(OCc2ccccc2)CC1 53706262 KZPVNALZZLWPGI-SFHVURJKSA-N 370.493 2.985 0 50 FFAA CCOC(=O)[C@@]1(C)CCN(C(=O)c2cnc(S)n2-c2ccccc2)C1 134998641 CZWOHCPVFGOEBO-SFHVURJKSA-N 359.451 2.576 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)NC3(c4ccccc4)CC3)cnn2c1 67725005 QKDQJLSQJNVYEU-UHFFFAOYSA-N 363.465 2.990 0 50 FFAA CC1(C)CNC(=O)c2nc(Cc3csc(-c4cccnc4)n3)[nH]c2C1 65505523 XVFATFWLYUYZGZ-UHFFFAOYSA-N 353.451 2.831 0 50 FFAA Cc1ccc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)o1 104371845 CHXUKAZFJOXBPL-MRXNPFEDSA-N 374.510 2.674 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1 65361848 NZIOEYWAPYMANH-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)Cc2n[nH]c3c2CCCCC3)c1C 67868174 CQJNLRAHJOSUCV-UHFFFAOYSA-N 358.490 2.582 0 50 FFAA O=C1N=C(c2ccccc2)NC12CCN(Cc1cc(F)cc(F)c1)CC2 63855632 JXZGJTKLMCDBJE-UHFFFAOYSA-N 355.388 2.876 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2ccccn2)[nH]n1 409415016 QZTWLOGIGSSVKD-KXBFYZLASA-N 353.470 2.808 0 50 FFAA Cc1nc([C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc(=O)[nH]1 23191721 DPTQAHFSSOALHR-CQSZACIVSA-N 355.467 2.705 0 50 FFAA O=C(NCc1ccccc1F)N1CCC[C@@H](Cn2cc(C3CC3)nn2)C1 23479221 UVKPHSITEPEDHO-CQSZACIVSA-N 357.433 2.916 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cccc(-n2cnnc2)c1 65456095 SDPRLURAJNSPMY-LJQANCHMSA-N 358.405 2.635 0 50 FFAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@H](C)c2ccccn2)n1C 328628531 NULLQZYRDOFGLK-RDTXWAMCSA-N 354.454 2.985 0 50 FFAA CNC(=O)c1ccc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)cc1 328621912 IBCUOIYGIUTSMY-KRWDZBQOSA-N 372.469 2.810 0 50 FFAA CCOc1cc(CN2CCN3CCN(C)C[C@@H]3C2)cc(Cl)c1OCC 216000162 FLZLHVIAABBGBF-MRXNPFEDSA-N 367.921 2.569 0 50 FFAA CC[C@H](Cn1ccnc1-c1ccc(-n2ccnc2)cc1)N1CCOCC1 77426897 WWIVBGYSYGOAMN-GOSISDBHSA-N 351.454 2.847 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cn1 331937855 PHJOYFVAOOIYEC-BVPBIZIASA-N 374.485 2.858 0 50 FFAA O[C@@H](COc1ccccc1-c1nnco1)CN1CCc2ccccc2C1 154460766 FDBAZBSSEUVLEX-QGZVFWFLSA-N 351.406 2.535 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 12712207 YRAJUCCTIYPLKW-KRWDZBQOSA-N 355.438 2.936 0 50 FFAA Cc1cccc2c1O[C@H](C(=O)N1CCCc3cc(S(C)(=O)=O)ccc31)C2 459994722 MMNZQJXYOAVWCJ-SFHVURJKSA-N 371.458 2.681 0 50 FFAA CCS[C@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71752777 CZFPXXZPUVUABR-CYBMUJFWSA-N 371.510 2.631 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2Cc3ccccc3N(C)C2)cc1OC 368825571 OHROOIPKYAMQFD-MRXNPFEDSA-N 354.450 2.671 0 50 FFAA Cn1cc(CCC(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c2ccccc21 262963838 JLLNLGJFWZWUAA-KRWDZBQOSA-N 368.355 2.977 0 50 FFAA O=C(COCc1ccccc1)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72157113 XAIZEJFCINBDNQ-FQEVSTJZSA-N 351.446 2.681 0 50 FFAA COc1ccc(C[C@H](C)C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1OC 378586778 GAWUIBHUZTWPTJ-JQHSSLGASA-N 360.498 2.968 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3coc(-c4ccccc4)n3)cnc21 77288029 ZTHBXLWZGURZEL-UHFFFAOYSA-N 362.393 2.618 0 50 FFAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cnn(C2CCOCC2)c1C 262741075 GTYRURNDZXWSRF-UHFFFAOYSA-N 373.409 2.567 0 50 FFAA Cc1ccccc1OC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1 72429058 KHFDRZJEUVLXIU-UHFFFAOYSA-N 352.394 2.769 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)OC1=O 72409672 CTJUZYJBNLYZDF-ZDUSSCGKSA-N 371.441 2.574 0 50 FFAA CC(=O)[C@@H]1CC(C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=NN1c1ccccc1 241965487 UTGFSMOAVNAKNE-QXCFHYIPSA-N 370.449 2.957 0 50 FFAA CCC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(S(N)(=O)=O)cc1 455542926 NSMRHDFRTKLKPO-JKSUJKDBSA-N 367.515 2.740 0 50 FFAA CCn1nnc(C)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C 456241365 XWRQYJHOYSOHDB-ZDUSSCGKSA-N 352.479 2.873 0 50 FFAA CN(C)c1ncnc2c1CCN(C(=O)c1c[nH]nc1C1CCCCC1)C2 72165204 XIEKDVIXFGAYIQ-UHFFFAOYSA-N 354.458 2.512 0 50 FFAA CC[C@@H]1COCCN1C(=O)c1cccc(-c2ccc(CC(=O)NC)cc2)c1 426621542 CHIDFNRXZUZPKY-HXUWFJFHSA-N 366.461 2.893 0 50 FFAA O=C([C@@H]1C[C@@H](O)CN1)N1CCC[C@H]1C(c1ccccc1)c1ccccc1 43763944 NYZAYIQCFFHZGK-AABGKKOBSA-N 350.462 2.532 0 50 FFAA Cc1ccc2oc(=O)n(CC(=O)N[C@H](c3cccnc3)C(F)(F)F)c2c1 426707261 SRDNUAIAYNSQAC-OAHLLOKOSA-N 365.311 2.718 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@@H](O)c2ccccc2F)CC1(C)C 220441699 SIVXJYREERMDOC-IBGZPJMESA-N 372.440 2.995 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222371608 BITJNJQQZPJFLV-HZPDHXFCSA-N 364.804 2.769 0 50 FFAA C[C@@H]1CN(Cc2ccccc2CNCc2cccc(C(N)=O)c2)C[C@@H](C)O1 237412716 KPEGKQMEQPOXLY-IAGOWNOFSA-N 367.493 2.685 0 50 FFAA O=C(NCCCN1Cc2ccccc2C1)Nc1ccc2c(c1)OCCO2 95504248 YZGHWFGIHHRNRC-UHFFFAOYSA-N 353.422 2.985 0 50 FFAA Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCC(=O)NC1CCCCC1 97636637 LWPDONYXQMCMAN-UHFFFAOYSA-N 354.454 2.954 0 50 FFAA Cc1cccc(SC2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 97551368 FSVDVLSCJPLLFG-CQSZACIVSA-N 353.509 2.513 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCC(=O)N2CCCC2)C1 91460961 QEBOIVQCTFHTTN-OAQYLSRUSA-N 372.465 2.599 0 50 FFAA O=C1CCC2(CCN(Cc3cccc(F)c3F)CC2)CN1CCCO 92028157 GHMNTBFLNQHMTO-UHFFFAOYSA-N 352.425 2.552 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1)CC2 91691048 BBKQEIRHLCHPJY-UHFFFAOYSA-N 358.482 2.876 0 50 FFAA Cc1nc2c(c(N3CCc4c(cccc4NS(C)(=O)=O)C3)n1)CCCC2 180431001 IGGLUCSVPSGTTJ-UHFFFAOYSA-N 372.494 2.598 0 50 FFAA CCN(C(=O)c1ccc(C)c(N2CCNC2=O)c1)[C@@H]1CCOC(C)(C)C1 91326188 APLNRRHZHFAZKO-MRXNPFEDSA-N 359.470 2.944 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)C(C)(C)c1ccccc1)CC2 91769167 HBTAZNGKUVLQCR-UHFFFAOYSA-N 372.509 2.842 0 50 FFAA CCOc1cc(F)cc([C@@H](C(=O)O)N2CCN(c3ncccc3C)CC2)c1 95531537 MANPGWREHVFVKO-SFHVURJKSA-N 373.428 2.876 0 50 FFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCC(N2CCSCC2)CC1 97475093 PRPWEAQCHKSHFX-UHFFFAOYSA-N 364.902 2.641 0 50 FFAA Cc1cc(C(F)(F)F)nc(N2CCN(c3cccc([C@H](C)O)n3)CC2)n1 96139345 VVZSQKNRUIHMCD-LBPRGKRZSA-N 367.375 2.579 0 50 FFAA CCN(C(=O)Nc1cccc(-c2cscn2)c1)[C@H]1CCS(=O)(=O)C1 96163389 QUKFLZZSCHRZCY-AWEZNQCLSA-N 365.480 2.851 0 50 FFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2cccc3cccnc23)c(OC)n1 95361200 ILMJWKLEOHHZFI-SFHVURJKSA-N 367.405 2.905 0 50 FFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc2ccccc2c1 247750867 VSMCAPIFBFQRAZ-BXGJLEAFSA-N 373.408 2.798 0 50 FFAA CN(C)c1ccc(CCC(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)cc1 244882691 XWPYRLONZQTZEN-JRGCBEDISA-N 367.493 2.579 0 50 FFAA O=C(NC1CCN(C(=O)NCC[C@@H]2CCCCO2)CC1)c1ccccc1 181829942 VJQRPFPOQNAMOE-SFHVURJKSA-N 359.470 2.550 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1Sc2ccccc2NC1=O 299750602 OASVCKBLNVIKIT-ATVPRXPUSA-N 374.462 2.734 0 50 FFAA CN(CCC(=O)O)C(=O)[C@@H](c1cccc(Br)c1)N1CCCC1 299750614 OBUGRWSHDXYJNH-OAHLLOKOSA-N 369.259 2.519 0 50 FFAA COc1ccc(OC)c([C@H](C)NC(=O)NC2(C(N)=O)CCCCCC2)c1 534661976 BMHQDZXBVSUMKU-ZDUSSCGKSA-N 363.458 2.642 0 50 FFAA O=C(NCCOP(=O)(O)O)OCC1c2ccccc2-c2ccccc21 38345332 YHUHBHVNOVAEMP-UHFFFAOYSA-N 363.306 2.634 0 50 FFAA CC(=O)c1cn(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c2ccccc12 71376095 LWMVLYKZVQOGNL-GOSISDBHSA-N 364.401 2.656 0 50 FFAA biogenic CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)O)cc(Cl)c1OC 269104873 CAVOBAPHBWXXRC-KTRBRXNASA-N 353.802 2.836 0 50 FFAA COc1cc([C@H](C)NC(=O)c2ccn(C(F)F)n2)cc(OC)c1OC 584895393 YFIBECYBIFFMTP-VIFPVBQESA-N 355.341 2.795 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCN(c3nc(C)cnc3C)CC1)CO2 670454842 WDHUHGUGFLPVLB-UHFFFAOYSA-N 366.465 2.700 0 50 FFAA CCc1nnc(CNC(=O)N(C)[C@@H](C)c2ccc3c(c2)OCCO3)s1 584886573 UBIULCHIIRUIKH-NSHDSACASA-N 362.455 2.774 0 50 FFAA c1cc(OC2CCC2)cc(-c2noc(-c3cc4c(nn3)CCOC4)n2)n1 1875312528 NOOYRFVHIPCXEJ-UHFFFAOYSA-N 351.366 2.593 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875403668 XZFFSKKIFLHQGM-APHBMKBZSA-N 367.371 2.780 0 50 FFAA Cc1nn(C)c(N)c1C(=O)Nc1ccc(Cl)c(C(=O)NCC(C)C)c1 952845178 FXLWMQCGNSYYEG-UHFFFAOYSA-N 363.849 2.602 0 50 FFAA CCn1nc(C(=O)Nc2cccc(NS(=O)(=O)C3CC3)c2)cc1C1CC1 1875299270 FZOFUNNNRCTJOK-UHFFFAOYSA-N 374.466 2.937 0 50 FFAA O=C(N[C@H](Cc1ccccc1)Cc1cscn1)c1cnc2[nH]cnc2c1 1875254830 AVZZKMPMAHQTMB-OAHLLOKOSA-N 363.446 2.998 0 50 FFAA COc1ccc([C@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)[C@H](C)O)cc1 1875299097 YOMHORNRQNWBST-MEDUHNTESA-N 363.845 2.662 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 952977949 JGRLMKXYXHNFSD-INIZCTEOSA-N 369.469 2.582 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1)c1n[nH]c2ccccc12 1565509533 FAIIVWYLKASPOI-IRXDYDNUSA-N 355.369 2.668 0 50 FFAA Cc1cc(C)cc(-c2nnc(NC(=O)N3CCNC(=O)[C@H]3C(C)C)s2)c1 186055117 BNDHPGLLUOUXFJ-CQSZACIVSA-N 373.482 2.810 0 50 FFAA COC(=O)[C@H](CCOC(C)C)NC(=O)CCOc1ccc(Cl)cc1 170600566 LIVGTYZXHSQBCS-HNNXBMFYSA-N 357.834 2.582 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)[C@H]1CCCc2c(O)cccc21 191021738 NTBALCNRQYEZKM-INIZCTEOSA-N 352.438 2.932 0 50 FFAA FC(F)(F)c1ccnc(NCCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 194048577 QLHOJJKRPADIAJ-MRVWCRGKSA-N 356.392 2.845 0 50 FFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)CN1C[C@@H]2CC[C@H]1C2 1529172087 HWRGKNGNEBJKLD-CABCVRRESA-N 354.454 2.827 0 50 FFAA Cc1cc(C(=O)N2CCCN(c3ncnc4[nH]ccc34)CC2)ccc1F 1772819526 NQKGWHYJOHIXQX-UHFFFAOYSA-N 353.401 2.758 0 50 FFAA CC(C)Cc1nc(CCC(=O)N2CCCCCC2)n(-c2cnn(C)c2)n1 1772806273 AWMHMMUEAWMLDP-UHFFFAOYSA-N 358.490 2.535 0 50 FFAA Cc1cc(=O)c(C(=O)NCc2cccnc2)c(Cc2ccccc2F)n1C 12152521 BSOGCINCYHXKPO-UHFFFAOYSA-N 365.408 2.749 0 50 FFAA Cn1cc(CCC(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)cn1 12196837 PSOZMDBCWAUXBP-UHFFFAOYSA-N 369.856 2.981 0 50 FFAA O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCCC[C@@H]1CCO 12481426 BSBSTDCSTNDVRN-GOSISDBHSA-N 371.481 2.941 0 50 FFAA Cc1cc(C)cc(CCC(=O)NCc2cccnc2N2CCC[C@H](O)C2)c1 12759504 BCMARWINSWSHJN-FQEVSTJZSA-N 367.493 2.909 0 50 FFAA CC(C)C(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 14958084 COAJJAWWGVFWFC-IBGZPJMESA-N 350.409 2.962 0 50 FFAA C[C@@H](O)c1cn(CC2CCN(C(=O)c3scc4c3CCCC4)CC2)nn1 19758281 UEKIPZNSKYRNTO-CYBMUJFWSA-N 374.510 2.824 0 50 FFAA Cc1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(C[C@@H]2CCCO2)CC1 1857684928 KLGFYUOLCVPDRC-KRWDZBQOSA-N 356.514 2.844 0 50 FFAA O=C1CCO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2N1Cc1ccccc1 1857708685 GZNYJEMOYUSFQZ-PMACEKPBSA-N 372.415 2.967 0 50 FFAA CC(C)[C@@H]1CN2C[C@H](NC(=O)Cc3ccc(C(F)(F)F)cc3)C[C@H]2CO1 1857714870 QBGANWZFOUTSED-IKGGRYGDSA-N 370.415 2.862 0 50 FFAA O=C(NCCOc1ccc(F)cc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 121930655 BAFVNXXZVOXYKH-UGSOOPFHSA-N 354.397 2.680 0 50 FFAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)c1cccc(Br)c1 238092732 DOFNDPLSWIFGTQ-CYBMUJFWSA-N 356.216 2.508 0 50 FFAA CNC(=O)c1cccnc1N1C[C@@H]2CCC[C@]2(c2nc(C(C)C)no2)C1 845728889 VWAQCFXRKSUVOR-DJJJIMSYSA-N 355.442 2.506 0 50 FFAA C[C@]1(c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)NC(=O)NC1=O 267262735 QLFCGKVTROGYFT-DNVCBOLYSA-N 369.446 2.780 0 50 FFAA Cn1cc(-n2nc(C3CCOCC3)nc2-c2cccc3c2COC3)cn1 2100547715 NKSYHMCXBHYJSB-UHFFFAOYSA-N 351.410 2.592 0 50 FFAA Oc1ccccc1C(=S)N1CCN(C(=S)c2ccccc2O)CC1 2312112 LGTSXRPGGWMJOR-UHFFFAOYSA-N 358.488 2.767 0 50 FFAA Cc1cc(Br)cn2c(CN[C@H](C)Cc3nccn3C)cnc12 2325774155 GRDSBCGKOPYJJZ-GFCCVEGCSA-N 362.275 2.860 0 50 FFAA Cc1ccc(CN[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c(-c2ccnn2C)c1 2325786065 ZTSRYMHDPRXEDO-OZOXKJRCSA-N 365.481 2.521 0 50 FFAA N[C@H]1CN(C(=O)c2ccc(NCCn3ccnc3)cc2)Cc2ccccc21 2325857216 TUVKWKYVSJGTFG-FQEVSTJZSA-N 361.449 2.651 0 50 FFAA COCCN1CCC[C@@]2(CCCN2CCCCOc2ccccc2)C1=O 2356142311 NBZYFINFLDTMKC-OAQYLSRUSA-N 360.498 2.949 0 50 FFAA O=C(Nc1cccc2ccccc12)N1CCN(C(=O)[C@@H]2CCCO2)CC1 2883450 WKJARKICIABSAR-SFHVURJKSA-N 353.422 2.695 0 50 FFAA Cc1nc2ccnn2c(NCCc2csc(-c3ncccn3)n2)c1C 2356156774 QAUASAQMSXRFKM-UHFFFAOYSA-N 351.439 2.914 0 50 FFAA O=C(O)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 2982907 WLYXJMZQUZYZPO-VBKFSLOCSA-N 372.808 2.702 0 50 FFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCN(c2ccc(F)cc2)CC1 3055617 WWYUEEVEQWSLCL-UHFFFAOYSA-N 367.424 2.915 0 50 FFAA O=C1N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 4158611 JLGQDXYHAHQIKS-JKSUJKDBSA-N 362.838 2.952 0 50 FFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 4854842 PDYDQUIZHRLCMN-HNNXBMFYSA-N 350.440 2.619 0 50 FFAA CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C 4857160 KLFJTDUVXDMDAW-UHFFFAOYSA-N 360.479 2.905 0 50 FFAA COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 4866705 YNWQLCIFMKGOBL-HNNXBMFYSA-N 374.462 2.735 0 50 FFAA COC(=O)c1c(NC(=O)CSc2nccc(C)n2)sc2c1CCC2 6700249 XISSVZXBQUBAMY-UHFFFAOYSA-N 363.464 2.853 0 50 FFAA O=C(c1cc2ccccc2oc1=O)N1CCN(CCc2ccccc2)CC1 55060307 DRCGCJBXZNCPEW-UHFFFAOYSA-N 362.429 2.794 0 50 FFAA O=C(c1ccccn1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55108140 QKNLPTOFEMBLQL-LJQANCHMSA-N 368.456 2.648 0 50 FFAA O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc2ccccc12 100280118 XVOXUKFNOUYBHZ-SLUIBLPYSA-N 360.413 2.976 0 50 FFAA COCc1c(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)noc1C 55343219 TVCSQEXAYBQZLU-UHFFFAOYSA-N 356.382 2.760 0 50 FFAA CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cscn3)CC2)[C@H]1O 20110018 ZPGSEXUCSSNKMT-MSOLQXFVSA-N 371.506 2.684 0 50 FFAA COc1cc(N2CCC(c3[nH]ncc3-c3ccccc3)CC2)nc(N)n1 67756200 DPKHVQOCYBXBKC-UHFFFAOYSA-N 350.426 2.842 0 50 FFAA COc1cc(N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)nc(N)n1 65388056 UTJVIGDPOYMHSW-UHFFFAOYSA-N 355.486 2.687 0 50 FFAA Cc1ccc([C@H](C)NC(=O)CN2CCN(Cc3ncccc3C)CC2)cc1 65376078 BDGKJLCFQSCGCT-IBGZPJMESA-N 366.509 2.693 0 50 FFAA COCCn1cnnc1[C@@H](C)Nc1ncc2c(n1)CCN2c1ccccc1 65534370 LUDXEGFOKOWIPU-CQSZACIVSA-N 365.441 2.582 0 50 FFAA CC(C)Cc1nc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)n[nH]1 170625610 BTZHUVVIKAXMQR-UHFFFAOYSA-N 352.398 2.581 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(-c3cccc(C(=O)O)c3)nc2)no1 67821694 BYQFBZJCBZGSKS-UHFFFAOYSA-N 366.377 2.883 0 50 FFAA CC(C)n1ccnc1CN1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67688329 HMMRQOKSGAJRKJ-MRXNPFEDSA-N 366.469 2.718 0 50 FFAA COc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c(OC)c1C 67539936 ZSTMOSDZXJBHTK-UHFFFAOYSA-N 357.410 2.755 0 50 FFAA Cc1cnn(-c2cc(N3CCC(n4cc(C(C)(C)C)nn4)CC3)ncn2)c1 63882405 LIUYXNHSJUGONC-UHFFFAOYSA-N 366.473 2.701 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)Cc1ccccc1F 328635119 UMQKDEBONPWDPQ-OXJNMPFZSA-N 358.461 2.643 0 50 FFAA C[C@@]1(C(=O)N2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)CC=CCC1 333042484 FGVYKGWSFJHVSZ-LAUBAEHRSA-N 372.513 2.694 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)N1CCO[C@H]([C@@H]2CCCO2)C1 151740272 JKFJXDYWXFJPSO-KBPBESRZSA-N 364.492 2.821 0 50 FFAA O=C(CCc1ccccc1)N1N=C(c2cccnc2)C[C@@]1(O)C(F)(F)F 879329 IEGLOEMXURKORK-QGZVFWFLSA-N 363.339 2.902 0 50 FFAA C[C@H](NC(=O)N1CC[C@H](C)[S@](=O)CC1)c1nc(C2CCCCC2)no1 253424773 KJXQIAUAUDSTGW-OLXKUKDPSA-N 368.503 2.731 0 50 FFAA C[C@H]1CN([C@@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 237650028 JDMLCLQTZMGLSC-GUYCJALGSA-N 366.868 2.764 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1CCN(c2nc3ccccc3s2)CC1 72422035 OJIXFCXSMCODBF-UHFFFAOYSA-N 355.467 2.609 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 283706138 SUOGGJGPDSBOSK-DARIXABFSA-N 368.481 2.707 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 334128947 RVVNHNMDRCOQJR-VXNCWWDNSA-N 365.857 2.872 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CC2(CCNCC2)CN1 72165065 VRPZHQZLFGRMJS-SFHVURJKSA-N 374.916 2.520 0 50 FFAA c1cncc(CN(Cc2nnc(-c3ccco3)o2)[C@@H]2CN3CCC2CC3)c1 72119466 GTPIDZRTQAUFCT-QGZVFWFLSA-N 365.437 2.821 0 50 FFAA CC[C@H]1CN(Cc2nccc(C)n2)[C@@H](CC)CN1Cc1nccc(C)n1 332184366 OFRNCWBSTLSCDW-ROUUACIJSA-N 354.502 2.758 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 77422792 FAVIRZZNAZNMCQ-IBGZPJMESA-N 363.461 2.909 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1)[C@H]1CCCN1 261906834 SKCIUTLWWRWLOC-GHTZIAJQSA-N 351.494 2.920 0 50 FFAA COc1ccc2[nH]nc(CN3CCCC[C@@H]3CCN3CCCC3=O)c2c1 77521277 VBWZZNVSPYZWLE-OAHLLOKOSA-N 356.470 2.939 0 50 FFAA O=C(c1cccc2ccnn12)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 72128249 AHSABYFCPZBLLK-OAHLLOKOSA-N 360.377 2.757 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)COc1cc(Cl)ccc1Cl 241439944 NNQIAMXPOPOSPJ-YNEHKIRRSA-N 372.248 2.908 0 50 FFAA O=C(Nc1cnc2c(c1)COCC2)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 376491643 MIGJIBMHWFVWSN-VIFPVBQESA-N 366.343 2.640 0 50 FFAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CC[C@H]2CCCC[C@H]2C1 242324496 ZBTNPELTTGCKNZ-CABCVRRESA-N 366.483 2.854 0 50 FFAA CNC(=O)CC1CCN(Cc2ccc(O[C@H](C)C(=O)O)c(Cl)c2)CC1 215790422 HSOLYEJUGYMJFC-GFCCVEGCSA-N 368.861 2.540 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccc(Cl)cc3O)CC2=O)c1 72424943 RBCQLCQCYVZXBN-UHFFFAOYSA-N 374.824 2.539 0 50 FFAA O=C(NS(=O)(=O)Cc1c(F)cccc1F)[C@H]1CSc2ccccc21 132745119 TWOZFKRDZUOTMU-NSHDSACASA-N 369.414 2.800 0 50 FFAA CCc1nc2c(N3CCCN(C4Cc5ccccc5C4)CC3)ncnc2o1 77438280 YASBYAVVFRNSJG-UHFFFAOYSA-N 363.465 2.860 0 50 FFAA CCN1CCN(Cc2cc(C)cc(CN(C)CCn3ccnc3)c2C)CC1 215842301 JNLPULUSYDGRHA-UHFFFAOYSA-N 369.557 2.769 0 50 FFAA CN[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)C1 133489274 ZQNVEFIMLYMRGP-GFCCVEGCSA-N 352.360 2.715 0 50 FFAA O=C(COc1ccc2nncn2n1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 219716315 KALABDKULYMJIZ-CQSZACIVSA-N 371.828 2.563 0 50 FFAA CSCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 71758978 WWHXAIYEPRIBMR-MORSLUCNSA-N 352.450 2.716 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2ccn(C)n2)CCCN1Cc1ccc(F)cc1 71753939 BIJDLJSAPIZESI-IBGZPJMESA-N 358.461 2.932 0 50 FFAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCc2ccccc2C1 44902904 HSBRRMQIXULJIF-UHFFFAOYSA-N 363.392 2.634 0 50 FFAA Cc1ccnc(NC(=O)c2ccn([C@@H](C)C(=O)Nc3cc(C)ccn3)n2)c1 20617531 FGCFXYAGTPVLBG-AWEZNQCLSA-N 364.409 2.742 0 50 FFAA CN(C)c1ccc(CC(=O)NCc2csc(-c3ncccn3)n2)cc1 223049114 IDRCPTMFPBZCER-UHFFFAOYSA-N 353.451 2.525 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2ccncc2F)CC1 82134619 VMZFLXUAKJRSDQ-UHFFFAOYSA-N 358.465 2.812 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(Cc1nn(C)c3cccc(Cl)c13)C2 220692900 RGTBPWMMVVBUJH-GFCCVEGCSA-N 359.861 2.882 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426647265 MZTVYGQIZWSIJC-CLOLKSBNSA-N 356.514 2.511 0 50 FFAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C[C@@]23C=C[C@H]1O3 226723813 BMUQWGQUKLMRNI-OLMMMNRUSA-N 361.825 2.970 0 50 FFAA O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2Cl)CC1 91305463 UWEDYMDQQBPBDN-ZDUSSCGKSA-N 362.857 2.721 0 50 FFAA CN(Cc1cccc2cnccc12)C(=O)c1coc(CN2CCOCC2)c1 95361494 ILOHCWQYLMHJOM-UHFFFAOYSA-N 365.433 2.932 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 267506741 YRZAHKTZIGSZFC-PKOBYXMFSA-N 359.514 2.566 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc3c2CCCC3)C[C@H]1C(=O)O 91551534 DRZXQXDOBZIERR-JKSUJKDBSA-N 353.422 2.537 0 50 FFAA Cc1cc(OC[C@H](O)CNC(=O)CCc2c(C)noc2C)ccc1Cl 97551229 BNOWAMQTIXBFOF-CQSZACIVSA-N 366.845 2.742 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 236933275 FMMZQOGSPVUYJX-JYJNAYRXSA-N 362.470 2.621 0 50 FFAA CCCN1C(=O)[C@@H]2[C@@H](c3cccs3)NN(Cc3ccccc3)[C@H]2C1=O 238899563 GQCDQTLXAHOAMP-BRWVUGGUSA-N 355.463 2.573 0 50 FFAA CN1CCN(Cc2cnc(-c3ccccc3)s2)C[C@]12CCNC(=O)CC2 91452574 CSYPODLMNQORGL-FQEVSTJZSA-N 370.522 2.596 0 50 FFAA O=C(NCc1n[nH]c(-c2ccccc2)n1)C1CCN(Cc2ccco2)CC1 95388926 LYATVSULVIZOMO-UHFFFAOYSA-N 365.437 2.593 0 50 FFAA O=C1C[C@@H](C(=O)NCCCN2CCc3ccccc32)c2cc(F)ccc2N1 97636599 QNSSFDGEGAQMQA-QGZVFWFLSA-N 367.424 2.821 0 50 FFAA Cc1nc2ccc(C(=O)NCCc3nc(-c4cccnc4)no3)cc2nc1C 91643894 PVGNNHFKFFDFHD-UHFFFAOYSA-N 374.404 2.664 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)[C@@H]2COc3ccccc3C2)o1 95511644 CCLDQJCEIJUDII-INIZCTEOSA-N 374.506 2.942 0 50 FFAA COc1ccc(CCCC(=O)N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 92037388 FPRGNVDEXIUGAH-KRWDZBQOSA-N 369.465 2.816 0 50 FFAA Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4CC[C@H]3O4)n2)s1 245227973 UNSHFKKSPVYQPC-FPQZTECRSA-N 364.448 2.997 0 50 FFAA Cn1nc(CNC(=O)CCC(=O)NC2CCCC2)c2c(Cl)cccc21 252499244 RXRXGBCCMJHVMZ-UHFFFAOYSA-N 362.861 2.682 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2)n1 299742667 IERWBAYNEFRYMF-OAGGEKHMSA-N 355.394 2.903 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)NCCc2nc(C)cc(C)n2)cc1 534581871 BNVBWAPYXOOJKB-UHFFFAOYSA-N 362.437 2.565 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(NC3CCN(C)CC3)n2)cn1 55053158 QWAXKLLMJOACAN-UHFFFAOYSA-N 364.453 2.844 0 50 FFAA CCC[C@H](C)n1nccc1NC(=O)NC1CCN(c2cnccn2)CC1 299771586 REERYLOZPPUOIP-AWEZNQCLSA-N 357.462 2.825 0 50 FFAA CCCn1cc(C(=O)NC[C@H](O)COc2ccc(Cl)c(C)c2)c(C)n1 823031277 FREOYMLSRTZGHM-AWEZNQCLSA-N 365.861 2.733 0 50 FFAA COc1ccccc1OCCCN(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 824828115 XUZOTGSRNXKRAZ-MRXNPFEDSA-N 363.502 2.978 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccc(CO)o2)C1)c1cccc2cc[nH]c12 828827023 KDOGZPMEIFGEDU-HNNXBMFYSA-N 367.449 2.895 0 50 FFAA CCN1C(=O)C[C@H](C(=O)Nc2cnc3ccccc3c2)[C@H]1c1nccn1C 1875280184 YQSTXZZXSNYGCO-YJBOKZPZSA-N 363.421 2.517 0 50 FFAA NC[C@H](NC(=O)[C@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875372689 KVJQCGRRZVKCMO-VQTJNVASSA-N 367.449 2.527 0 50 FFAA COc1ccc2c(c1)NC(=O)[C@@H]2CC(=O)N1CCCC[C@H]1c1cc[nH]n1 1875317135 OPHGPBAVQDVHNN-PBHICJAKSA-N 354.410 2.598 0 50 FFAA O=C(O)[C@H](c1cccc(Cl)c1Cl)N1C[C@H](O)C2(CCOCC2)C1 1875306166 WDQBOOMJUDUMES-JSGCOSHPSA-N 360.237 2.592 0 50 FFAA CC1(C)CCCN1C(=O)N1CCOC[C@@H]1c1ncnn1Cc1ccccc1 1875306328 AEKIBNWSDHVKCT-QGZVFWFLSA-N 369.469 2.694 0 50 FFAA C=CC(=O)N[C@@H](C)C1CCN(C(=O)C2(Oc3ccc(F)cc3)CC2)CC1 1875386708 XELLOCLRUGQHNG-AWEZNQCLSA-N 360.429 2.666 0 50 FFAA COc1ccc(C(=O)NC[C@@]2(C)CCN(C(=O)c3cc(C)oc3C)C2)o1 1875340515 FULCYYBIAXWLPI-LJQANCHMSA-N 360.410 2.780 0 50 FFAA CCc1nnc([C@]23CC[C@H]2CCN3CC(=O)N2CCCc3ccccc32)o1 1875404536 LVUDHMBMFBZBOQ-KKSFZXQISA-N 366.465 2.922 0 50 FFAA Cc1nsc(N2CCC[C@H](NC(=O)C[C@@H]3OCCC3(C)C)[C@H]2C)n1 1875405703 MOYODAPCUQKCMT-XBFCOCLRSA-N 352.504 2.525 0 50 FFAA CCN1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)CC1 888105081 WLAUPYHZPHKTBN-UHFFFAOYSA-N 369.509 2.900 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cc(=O)nc3sccn23)cc1 952990387 XZDREZBWXCPKJZ-NSHDSACASA-N 368.418 2.524 0 50 FFAA CCCn1nc(C)c(CNC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)c1C 1565530041 RDTUTRNLQNGLSS-UGSOOPFHSA-N 360.458 2.537 0 50 FFAA CN(C)CCOc1cccc(-c2noc([C@@H]3CCc4[nH]ncc4C3)n2)c1 273989802 XAZKXEHVDPKRHQ-CQSZACIVSA-N 353.426 2.673 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@@H]1c1cccc(F)c1 170619454 LTQAYPXDGINHKB-GOSISDBHSA-N 373.453 2.897 0 50 FFAA CC(C)(C)c1cnc(CNC(=O)NC2CCN(c3nccs3)CC2)o1 282019014 WJXDBMKNMOCAEF-UHFFFAOYSA-N 363.487 2.897 0 50 FFAA O=S(=O)(NCCCOC1CCCCC1)c1cnc(Cl)c(F)c1 225658659 CRCJOCZUBGWQNK-UHFFFAOYSA-N 350.843 2.892 0 50 FFAA COc1ccccc1NC(=O)C[C@@H]1SC(N2CCCCCC2)=NC1=O 761784405 CQIOWAYRVPZNAK-HNNXBMFYSA-N 361.467 2.898 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]12 1704311642 DVEALIKRGRGFRM-IEBWSBKVSA-N 350.890 2.578 0 50 FFAA CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)CN1CC1CCCCC1 12054956 OCGVXERJHNIHEX-CVEARBPZSA-N 350.532 2.624 0 50 FFAA O=CN1CCCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)CC1 12315882 LWSILZNKPXOFDA-UHFFFAOYSA-N 372.425 2.506 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1 14240082 OSNWJOYTWAYVCZ-UHFFFAOYSA-N 362.470 2.895 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1ccccc1)C2 14751877 OEIIFJNCNNCEFV-SFHVURJKSA-N 366.509 2.829 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)NCc1nnc2ccc(-c3ccccc3)nn12 169778306 XTBKPKDMSPSDAA-OAHLLOKOSA-N 373.416 2.875 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)CCO2 1857691963 IKAPCGITZYISNG-UHFFFAOYSA-N 350.846 2.502 0 50 FFAA Cc1ccnc(N2CCC[C@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)n1 1857700354 FXWOEKNJFIFYDM-NRFANRHFSA-N 374.448 2.827 0 50 FFAA Cc1ccc(F)cc1CN1C[C@@H]2[C@H](CNC(=O)C3CC3)[C@H]3CC[C@]2(C1)O3 1857712176 SHXHOOUFNOFTMA-QEUVDIPISA-N 358.457 2.640 0 50 FFAA Cc1c(C(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)nc2ccccn12 1857731241 DLPIQGBOLKZPHG-JOCHJYFZSA-N 374.444 2.793 0 50 FFAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccc(-c4cnco4)cc3)C[C@H]2CO1 1875248614 ASJGUUYTGKBLJE-LNLFQRSKSA-N 355.438 2.569 0 50 FFAA O=C(Cn1ncc2ccccc21)N1CCNC[C@H]1c1ccccc1Cl 262071861 WYABVMWBJDPNCP-SFHVURJKSA-N 354.841 2.863 0 50 FFAA CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(Cc2ccccc2)CC1 375081736 PHZDTMQBLWHMBC-VQTJNVASSA-N 352.482 2.647 0 50 FFAA CSc1nc(=NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)[nH]s1 2100547906 RPXIGCAQBVRWCA-SECBINFHSA-N 370.459 2.823 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)N1CCCN1[C@@H]2c1ccc(F)cc1 100165970 OCEJGXCUTKQDTA-KSZLIROESA-N 369.371 2.500 0 50 FFAA CCn1ncc2c1CC[C@H](NC(=O)c1ccc(Cn3cc(C)cn3)cc1)C2 2325790256 AJEHGTJDUBSNPM-IBGZPJMESA-N 363.465 2.744 0 50 FFAA CC[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2ncon2)cc1 2325866851 BXMAHRNWACIXPK-AWEZNQCLSA-N 358.442 2.703 0 50 FFAA COC(=O)c1cnc(N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)s1 892438708 MHXGOWCSUOEMFB-HNNXBMFYSA-N 365.499 2.937 0 50 FFAA C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NC(=O)c1ccc2cccnc2c1 939040344 ZOIDPCYTJHTIBK-AUUYWEPGSA-N 360.417 2.520 0 50 FFAA Cn1nc(CC(=O)Nc2ccc(Br)cc2)c2ccccc2c1=O 787346 BGFHNOQFTJLVRK-UHFFFAOYSA-N 372.222 2.877 0 50 FFAA Cc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 1104824 ZPZQGRNRVZWJNM-UHFFFAOYSA-N 367.430 2.656 0 50 FFAA COc1ccc(CCNC(=O)C[C@H]2COc3ccccc3O2)cc1OC 1109562 WCJZFFAINUVQCS-HNNXBMFYSA-N 357.406 2.593 0 50 FFAA COc1cc(-c2o[nH]c(=N[C@@H](C)c3ncc(C)[nH]3)c2C(=O)O)ccc1F 2356138137 FMFFOPMDZCSDOK-VIFPVBQESA-N 360.345 2.814 0 50 FFAA CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 2857283 AFWXPJXHTRBOAV-AWEZNQCLSA-N 353.484 2.948 0 50 FFAA CCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)O 4761923 PROMKSSJWWAGTP-BPUTZDHNSA-N 364.442 2.697 0 50 FFAA COc1ccc(Cl)cc1N([C@H](C)C(=O)N1CCCCC1)S(C)(=O)=O 6730064 XATGQZCURCHGPM-GFCCVEGCSA-N 374.890 2.516 0 50 FFAA O=C1C[C@H](NCCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 20191729 QDMRYMPYKXJHMO-SFHVURJKSA-N 356.853 2.842 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)no1 65452328 BBPMXGBLTWACCG-QGZVFWFLSA-N 366.425 2.810 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(C/C(C)=C/c3ccco3)C2)CC1 23375013 OZZRPBKEXVFHJK-UWXVCKHVSA-N 361.486 2.921 0 50 FFAA COc1cccc(-c2noc3c2CN(C(=O)c2n[nH]cc2Cl)CC3)c1 67674966 DXYJTMXVJAOGDE-UHFFFAOYSA-N 358.785 2.925 0 50 FFAA O=C(O)CSc1nnc(-c2ccn[nH]2)n1-c1ccccc1C(F)(F)F 67713026 SBRRHRYNNUQZMY-UHFFFAOYSA-N 369.328 2.853 0 50 FFAA Cc1cc(C)cc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1 1079649 RZZZQERCJNXUSH-UHFFFAOYSA-N 362.393 2.924 0 50 FFAA CCn1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC)c3n2)c(C)n1 2781137 MRYLNLSBBBIGNR-UHFFFAOYSA-N 353.304 2.727 0 50 FFAA Cn1cc(C(=O)N2CC[C@H](OCc3ccncc3)C2)c(-c2ccoc2)n1 366061112 MDJZCUXVSFZLAJ-INIZCTEOSA-N 352.394 2.506 0 50 FFAA CCc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1 363303265 YCLSZBPUWSSCSJ-INIZCTEOSA-N 354.406 2.904 0 50 FFAA CC(C)Nc1ccnc(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)n1 72409064 BHPSRLWVMOJFQT-GOSISDBHSA-N 373.476 2.509 0 50 FFAA NC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 365263954 DZCSSOGVUBTZHY-MRXNPFEDSA-N 352.438 2.796 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CCCN1Cc1ccccn1 365700203 HOSDRUACJFSSKN-KRWDZBQOSA-N 355.486 2.725 0 50 FFAA O=S(=O)(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cnc2ccsc2c1 333032209 HTYMUVHMCOFLPK-HIFRSBDPSA-N 362.480 2.955 0 50 FFAA C[C@H](C(=O)N[C@@H]1CCC[C@]1(C)CO)n1c(S)nnc1-c1cccs1 241588461 PDKFJIAPHQHNJD-NSODJVPESA-N 366.512 2.524 0 50 FFAA CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H]3Cc4ccccc43)cc21 127915102 PWXWYVUDMYCASP-KRWDZBQOSA-N 370.474 2.604 0 50 FFAA C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1ccc(OCC(=O)O)cc1 263147595 UQDPENAOCZBENP-XJKSGUPXSA-N 355.390 2.579 0 50 FFAA COc1ccc(-c2ncc(CN3CCN(c4cccnc4)CC3)cn2)cc1 77392029 GFQOBEHASGJLDK-UHFFFAOYSA-N 361.449 2.869 0 50 FFAA Cc1n[nH]c(CCC(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)n1 14956952 NAWQPXOBAVZHPS-NRFANRHFSA-N 373.545 2.941 0 50 FFAA COc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1OC 40268267 AURPQNTYEPNKLC-UHFFFAOYSA-N 359.455 2.856 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)NCc1cc(-c2cccc(OC)c2)no1 223821532 MNIDPOKSEUJSCZ-KRWDZBQOSA-N 373.409 2.587 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)c3ccc([C@H]4CCCN4)s3)CC2)n1 19535343 MOLRINJDPQFASP-OAHLLOKOSA-N 371.510 2.542 0 50 FFAA CC(C)(C)c1cc(CNC(=O)N(Cc2cocn2)Cc2cocn2)[nH]n1 426711976 CTZDKNLFYRSYSV-UHFFFAOYSA-N 358.402 2.595 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2cccc(-c3c[nH]ccc3=N)c2)CC1 426707602 ZYJJTCQAZMQDMN-UHFFFAOYSA-N 361.449 2.876 0 50 FFAA O=S(=O)(c1cccs1)N1CCN(Cc2cccc(Cl)c2)CC1 20045285 SJCAGJMEJWTJML-UHFFFAOYSA-N 356.900 2.908 0 50 FFAA Cc1ccsc1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 221641221 NXNVBTZBJVSBQI-UHFFFAOYSA-N 368.462 2.950 0 50 FFAA COc1cccc2c1OC[C@@H](CNS(=O)(=O)c1c(F)cccc1F)C2 95357529 TWHLIPWNYNWLGK-LLVKDONJSA-N 369.389 2.503 0 50 FFAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1C1CCN(C(C)=O)CC1 95376423 NMOLBFBBQCSTMZ-UHFFFAOYSA-N 369.469 2.570 0 50 FFAA CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 95360394 NUUFLCVAHBVGNW-QGZVFWFLSA-N 361.486 2.528 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)CSc2ccccc21 95521038 JTSNVFORLMNLFZ-UHFFFAOYSA-N 371.462 2.651 0 50 FFAA COc1c[nH]c(C(=O)N(Cc2cccc(C)c2)C[C@@H]2CCCO2)cc1=O 97813790 AIFUHGXLONUNGA-INIZCTEOSA-N 356.422 2.513 0 50 FFAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N(C)C1CCSCC1 95521924 MUIOZFCGSJFCCQ-UHFFFAOYSA-N 350.509 2.788 0 50 FFAA Nc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)NC3CCC3)s2)ccn1 23153561 MABCAEOVZRCKLQ-CQSZACIVSA-N 370.478 2.985 0 50 FFAA COCC(=O)N1CCc2c(NC(=O)C[C@@H](C)c3c(C)noc3C)cccc21 181975064 JZJHTWNPHPWMFX-GFCCVEGCSA-N 371.437 2.959 0 50 FFAA CN(C)[C@@H](C(=O)NCc1ccccc1-n1ccnc1)c1ccccc1F 95352559 AHOORDZJDZYARN-LJQANCHMSA-N 352.413 2.931 0 50 FFAA CS(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)nn1C1CCCCC1 96153423 ABSUNPJRWCTGMZ-UHFFFAOYSA-N 370.425 2.778 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N1CC(OCc3ccccc3)C1)C2 91724522 OXEPPFGHANOTFU-KRWDZBQOSA-N 353.418 2.674 0 50 FFAA CN(Cc1ccccc1NC(=O)N[C@@H]1CCCNC1=O)C1CCCCC1 95523669 UZXIVHIBBKBRCM-GOSISDBHSA-N 358.486 2.851 0 50 FFAA C[C@@]12CCN(C(=O)Cc3ccnc(O)c3Br)C[C@H]1C2(F)F 294823504 VSDSVQHIEFWXEG-NOZJJQNGSA-N 361.186 2.596 0 50 FFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1c(C)nn(C)c1C 91849037 QTVDRHHBPFCWIE-LBPRGKRZSA-N 350.426 2.688 0 50 FFAA CC(C)COC(=O)[C@H]1[C@@H]2C(=O)N([C@H](C)c3ccccc3)C[C@@]23C=C[C@H]1O3 239165243 NTGQCMRXASLWIR-RWBBEJTFSA-N 355.434 2.729 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95361703 LRLUNVABJKFMSB-KRWDZBQOSA-N 365.458 2.961 0 50 FFAA Cc1csc([C@H](C)N(C)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 97370323 SEPHNHIFNWKARQ-LBPRGKRZSA-N 367.496 2.535 0 50 FFAA O=C(O)c1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95363211 GIYXGSSBECEJGV-PKOBYXMFSA-N 351.450 2.876 0 50 FFAA O=C1CCC(CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)=NN1 244719121 LXJCBBUDHITQFZ-UHFFFAOYSA-N 358.829 2.752 0 50 FFAA CCCn1cnnc1CNC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 244691601 JFTRWTPRACOSAV-GOSISDBHSA-N 359.449 2.671 0 50 FFAA O=C(N[C@@H]1CCOC1)c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1 534637845 RCQRNFLBSBXISX-GOSISDBHSA-N 367.449 2.827 0 50 FFAA O=C1N[C@](Cc2ccccc2Cl)(C2CCNCC2)C(=O)N1CC1CC1 299777479 DOIRGLWFCCCLDE-LJQANCHMSA-N 361.873 2.583 0 50 FFAA Cc1nnnn1CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71404253 JJDQHANBLBBDFB-HNNXBMFYSA-N 356.257 2.752 0 50 FFAA Cc1ccc2[nH]c(C(=O)O)c(CN3CCC(N4CCCC4=O)CC3)c2c1 71777265 HNYSFCBAEDDBGZ-UHFFFAOYSA-N 355.438 2.761 0 50 FFAA Cn1c(=O)oc2ccc(C(=O)N3CCCN(C4CCCCC4)CC3)cc21 299790850 CCSKCRBHXLFNJW-UHFFFAOYSA-N 357.454 2.612 0 50 FFAA Cc1ncsc1CCN(C)S(=O)(=O)c1ccc2nc(O)sc2c1 952979710 YZGQQHFYSGOSDJ-UHFFFAOYSA-N 369.493 2.630 0 50 FFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1C 952976537 KTIVOKZIMMDNFU-UHFFFAOYSA-N 359.407 2.541 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)CN(c2ccnc(C)n2)CCO3)cc1 952972890 MICYOPMFIKSTNO-UHFFFAOYSA-N 366.465 2.605 0 50 FFAA CCN1C(=O)C[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1nccn1C 886031627 GYROUALQNQFABN-MEDUHNTESA-N 357.389 2.722 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)c2cc3sccc3[nH]2)C[C@@H]1c1ccc(C)o1 1565508437 BJVCFGMXVHEBGV-WFASDCNBSA-N 357.435 2.875 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)Cc3cccc(F)c3F)CCO2)o1 275317571 IWDXWJYNXISNAY-CYBMUJFWSA-N 351.353 2.614 0 50 FFAA O=C(CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2)NCc1ccccc1F 275914927 JLZGOVGNVWYFQT-GOSISDBHSA-N 356.445 2.881 0 50 FFAA CN(CCc1ccncc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 170682844 NOKQTIMSIVUTQV-FQEVSTJZSA-N 352.482 2.930 0 50 FFAA C[C@H](c1nccs1)N1CCN(C(=O)c2cc3nccnc3cc2F)CC1 280077771 QTSVUYXHRPJMFT-GFCCVEGCSA-N 371.441 2.744 0 50 FFAA CC(C)(C)c1nnc(NC(=O)NCC(=O)N2CCCc3ccccc32)s1 194430186 LDEFDHQHRBGHIY-UHFFFAOYSA-N 373.482 2.937 0 50 FFAA CC(C)Oc1ccc([C@@H](C(=O)O)N2CCOc3ccc(CO)cc3C2)cc1 1506423929 XUYKCOMSWQRZSV-FQEVSTJZSA-N 371.433 2.986 0 50 FFAA CCCC[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C(C)C)O1 1529107073 WAZZOJSOCGJAFZ-QZTJIDSGSA-N 357.458 2.718 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1O 209898752 HBAFEQOWJHECLC-IRXDYDNUSA-N 368.462 2.628 0 50 FFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC[C@@H](C)OC)ccc1F 1704307615 CJCIOPSZNNKJKV-LLVKDONJSA-N 365.405 2.710 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)cc1C 1772702854 AVABIPSPVDTJHF-SJLPKXTDSA-N 358.482 2.938 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C)C2(CCOCC2)C1 1775978198 CNBDIFVRUSSXJX-UHFFFAOYSA-N 355.438 2.587 0 50 FFAA COc1cc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)ccc1F 12053234 YXCMUSLAIHTLDC-MRXNPFEDSA-N 364.461 2.685 0 50 FFAA CC(C)=CCC[C@@H](C)N(C)CCn1cc(C(=O)NCc2ccncc2)nn1 12182723 MEBHQJOKLNGAOV-QGZVFWFLSA-N 370.501 2.670 0 50 FFAA CC(C)CN1CCC(CNC(=O)[C@@H]2CCN(c3ccccc3)C2=O)CC1 12467123 WOYGZSKKTXPNJP-IBGZPJMESA-N 357.498 2.524 0 50 FFAA O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 13282388 HAYFXGOFALKLOR-UHFFFAOYSA-N 359.341 2.840 0 50 FFAA COc1cccc(CCN2C(=O)CC[C@@H]2CCNCc2ccccn2)c1 14999305 YZEUHQXHGWIZCE-LJQANCHMSA-N 353.466 2.804 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)c1 19224007 LMAHGRMFELRNDO-AWEZNQCLSA-N 374.462 2.770 0 50 FFAA O=C(c1cccs1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 19227958 CRENETPVUPIVIH-UHFFFAOYSA-N 360.464 2.818 0 50 FFAA CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19866092 OQOILMZCSNJNIT-UHFFFAOYSA-N 368.433 2.772 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@]23CC[C@H]1O3 1857722758 NCEJWWWQOQLVAN-TVKQPGBESA-N 360.523 2.808 0 50 FFAA O=C(c1ccncc1F)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857725865 QEWWYLTVCFSUGD-PMACEKPBSA-N 369.440 2.899 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ccc(Cl)cn3)C[C@]23CC[C@H]1O3)c1ccoc1 1857739110 JSKLFMCZZULBLU-WFXMFSGNSA-N 373.840 2.742 0 50 FFAA Cc1ccc(C2(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)CC2)cc1 1857741290 LZPGJNYSGWRFFY-SVMVAKDDSA-N 368.477 2.611 0 50 FFAA NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2567624 ASLOVDWQFVNFRC-SFHVURJKSA-N 354.406 2.717 0 50 FFAA in-vitro CC(=O)N1CC[C@H](C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)C1 332137635 DJBZEVMGHYROKC-JTQLQIEISA-N 367.236 3.190 0 50 FFAA O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1ccc(C(=O)O)cc1 238108055 BKYCXODIDXQSEZ-MRXNPFEDSA-N 352.390 2.592 0 50 FFAA O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Cc1cnc2ccccc2c1 131339761 IHKSNPOAIHIWBI-INIZCTEOSA-N 366.446 2.864 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 250978266 VKKMZBUFVIQWNX-UNIGVISCSA-N 369.387 2.903 0 50 FFAA COc1cc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccc1NC(C)=O 264691476 DAAHWHXKSKSHHO-CYBMUJFWSA-N 357.414 2.788 0 50 FFAA C[C@H](C(=O)O)C(=O)NCc1cc(Br)ccc1Br 263542703 DVWYLICYVLBSFG-LURJTMIESA-N 365.021 2.549 0 50 FFAA O=C1Nc2ncc(Br)cc2C[C@H]1NC1CC(c2ccccn2)C1 2325764741 SGTZWKSJYFHFJS-JHANDDDOSA-N 373.254 2.638 0 50 FFAA O=C(CN1CCO[C@H](c2cccc3ccccc23)C1)NCc1ccccn1 2325772040 OZBFKHCODVPTRH-NRFANRHFSA-N 361.445 2.925 0 50 FFAA CC1(C)C[C@@H](C(F)F)CN1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 2325807380 WAOCGHHFFCADLZ-ZJUUUORDSA-N 371.350 2.615 0 50 FFAA C[C@H](O)Cn1nc(C2CCOCC2)nc1-c1cc(-c2ccccc2F)[nH]n1 2356144076 IPXNDKDBCLKRRX-LBPRGKRZSA-N 371.416 2.749 0 50 FFAA Cc1ccc(N2CCC(N3C[C@H]4COC[C@@]4(CO)C3)CC2)cc1Cl 2356148943 BBDYSFIYPCNFQN-KXBFYZLASA-N 350.890 2.558 0 50 FFAA CN1Cc2nnc(CCNc3ccccc3)n2[C@@H](Cc2ccccc2)C1=O 2356154737 HVKXZVXMAVTXEW-SFHVURJKSA-N 361.449 2.689 0 50 FFAA O=C1C[C@H](N2CCSC2=S)C(=O)N1c1cccc(Cl)c1Cl 3204760 XPKCVKRWYAGBFU-VIFPVBQESA-N 361.275 2.959 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(O)=Nc2nc3ccccc3n21 8914608 DXLHXLLLWYJEKA-ZDUSSCGKSA-N 350.334 2.937 0 50 FFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1 9010117 ULXHINOEZKZYNA-UHFFFAOYSA-N 351.387 2.921 0 50 FFAA OCc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCCO3)CC1 55369137 WUEOFPJULGNWAK-UHFFFAOYSA-N 368.477 2.658 0 50 FFAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 20726850 NNOGGHIZSYFXBN-CQSZACIVSA-N 355.935 2.574 0 50 FFAA CCN1CCN(C2(C(=O)N3CCCCCC3)Cc3ccccc3C2)CC1 20781490 IXWHANDDAVPDEC-UHFFFAOYSA-N 355.526 2.564 0 50 FFAA C[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)n1cnc2ccccc21 65369735 JPIOZJMXDXHTOM-OAHLLOKOSA-N 350.422 2.503 0 50 FFAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)C1 67663147 QGSWLLDIYGRSRJ-CQSZACIVSA-N 354.472 2.821 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)cc(=O)[nH]1 23506971 BJBARQRBMAAKQX-CYBMUJFWSA-N 372.856 2.635 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](N(C3CCC3)S(C)(=O)=O)CC2)c1 328626686 FITNPMNURXFDCT-GOSISDBHSA-N 364.511 2.804 0 50 FFAA C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 237539154 YTXHGXRYPXMVLD-VXGBXAGGSA-N 359.344 2.901 0 50 FFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2NCc2nc3ccc(Cl)cc3n2C)cn1 328632631 LLWKDVYYRNOWHB-KDOFPFPSSA-N 372.860 2.910 0 50 FFAA CC(C)(CO)[C@@H](CNC(=O)c1ccc2nnc(S)n2c1)c1ccccc1 253407734 IUJJEJIJUBXZPL-HNNXBMFYSA-N 370.478 2.550 0 50 FFAA Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)c4c3CCC4)C2)n(C)n1 333033803 COFSJYAARJIBDO-INIZCTEOSA-N 352.482 2.924 0 50 FFAA CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)cc1 237459098 CDLYYGQFYOCVBR-SFHVURJKSA-N 374.462 2.963 0 50 FFAA CO[C@@H]1c2ccccc2C2(CCN(Cc3[nH]cc(C)c(=O)c3C)CC2)[C@H]1O 72126465 RNKDBTLNIDYMJA-RTWAWAEBSA-N 368.477 2.588 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2ccc(F)cc2n1 72147402 NELMKMHJALDNHP-LJQANCHMSA-N 357.385 2.739 0 50 FFAA Cc1ccccc1-n1nccc1NC(=O)N1CC[S@](=O)C(C)(C)CC1 333874115 PZRUHSDUZYXTMQ-VWLOTQADSA-N 360.483 2.946 0 50 FFAA CSc1ccccc1C(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72429417 UKPQMPLABGHABG-UHFFFAOYSA-N 359.451 2.668 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2nccn21 334093574 PRTCUIGELCSEFZ-IUCKATPISA-N 362.455 2.523 0 50 FFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 237655576 FGHCEKCYERRBTO-WBVHZDCISA-N 370.380 2.892 0 50 FFAA CCCCOC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 77555574 CNDYNCGNKPHDRI-INIZCTEOSA-N 363.506 2.917 0 50 FFAA CC(C)NC(=O)CSc1ccccc1C(=O)N1CCC[C@H]([C@@H](C)N)C1 156195585 IAZNXPSJOXHJJH-CABCVRRESA-N 363.527 2.503 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(C)cc3)ccc21 77556208 UONADWVGSCQWEL-UHFFFAOYSA-N 353.422 2.605 0 50 FFAA Cc1ccc(C(=O)N(Cc2nccn2C)[C@H]2CC23CCNCC3)c(F)c1 262069771 BZNVKLBNHMYQTO-KRWDZBQOSA-N 356.445 2.652 0 50 FFAA CC(C)c1cc(C(=O)N2CCN([C@@H]3CCNC3)CC2)c(O)c(C(C)C)c1 216470308 JOALCNGFHLHQDR-QGZVFWFLSA-N 359.514 2.759 0 50 FFAA COc1cccc2c1C[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3(C)C)C2 458092586 UVSZHQNJCULSOD-CQSZACIVSA-N 350.418 2.822 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(CC(=O)O)c(F)c1)CO2 263224212 PRCUKHCQSVQION-CYBMUJFWSA-N 359.353 2.651 0 50 FFAA Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CCN(C(=O)C2CCC2)CC1 426624751 JWEXCRPXMPEKAB-KRWDZBQOSA-N 373.497 2.725 0 50 FFAA COc1ccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)c(OC)c1OC 426740305 ALOVMXWSYGWZSL-GOSISDBHSA-N 373.449 2.745 0 50 FFAA CC(C)(C)c1cc(C(=O)N2CCC(O)(CO)CC2)cc(C(C)(C)C)c1O 222622320 SDITXNSNFWPVHJ-UHFFFAOYSA-N 363.498 2.947 0 50 FFAA NCCOc1cccc(CC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)c1 426503162 XTXQTLUENOHVDU-UHFFFAOYSA-N 374.444 2.566 0 50 FFAA CN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1 426514631 JDOLYNBAZRXXJY-SFHVURJKSA-N 372.490 2.533 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)c2onc3c2CCCC3)C[C@H]1C 426406022 CBMJTLBIPAKBAI-CQSZACIVSA-N 353.422 2.739 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CC(=O)N(c2ccc(Cl)cc2)C[C@H]1C 82134254 RBHNVVUBUWSJCS-GFCCVEGCSA-N 360.845 2.893 0 50 FFAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCN(Cc2ccccn2)CC1 91462519 QTUTZLLERSRTRG-MRXNPFEDSA-N 357.479 2.953 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@H](OCc4cccnc4)C3)c(F)n2c1 95367074 VYRGEHJGXDBSCL-INIZCTEOSA-N 368.412 2.998 0 50 FFAA CN(C)CCN1C[C@H](C(=O)NC(C)(C)c2cccc3ccccc23)CC1=O 95381859 FRIBAINQBNVJTF-QGZVFWFLSA-N 367.493 2.601 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95366013 UPGSUKMUOVLCDV-GOSISDBHSA-N 355.438 2.994 0 50 FFAA O=C(c1ccc2ncccc2c1)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95354015 VNLHHFQAQXSOBL-VGOFRKELSA-N 374.396 2.938 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@H](C)c2nc(-c3cccnc3)no2)c1CC 95529114 BPDKJEHSASDXAY-LLVKDONJSA-N 369.429 2.873 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)OC(C)C)CC1)C2 95518701 PFSNWLATHSOEEY-OAHLLOKOSA-N 362.470 2.845 0 50 FFAA CCOc1ccccc1CCCNC(=O)[C@H]1CCCN(C(=O)N(C)C)C1 97578703 WCUSFSSSPFCVQM-KRWDZBQOSA-N 361.486 2.528 0 50 FFAA CCn1nccc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 92020791 DJDYUVSVASDWTB-UHFFFAOYSA-N 370.482 2.624 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1nn(C)c3ccc(C)cc13)C2 91636211 KYQIFSQPUYTBHB-OAHLLOKOSA-N 365.433 2.758 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)NCCN1CCC(c2ccccc2)CC1 96131367 ZBJSBCDGCVGUPH-UHFFFAOYSA-N 354.498 2.955 0 50 FFAA Cc1c(-c2cc(C(=O)N3CCC[C@H]3c3nc(C(C)C)no3)no2)cnn1C 91625285 VJWFWAYCOWKOCS-AWEZNQCLSA-N 370.413 2.867 0 50 FFAA N[C@H]1CC[C@@H](NC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)nc2O)CC1 247745654 PSQOXSKDIIKLEL-AWPDPCMLSA-N 370.497 2.650 0 50 FFAA O[C@@H](CCc1ccccc1)CN1CCC(c2nnc3ccccn23)CC1 182380650 AAQSZHUPBBEBRW-IBGZPJMESA-N 350.466 2.902 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1 244209038 VTCGRMBWMWPUQH-NEPJUHHUSA-N 360.316 2.907 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)C[C@H]3CN(C)CCN3C)CCCC2)c1 244724498 MVGOYRBNESMMAQ-FQEVSTJZSA-N 357.542 2.867 0 50 FFAA Cn1c(=O)c(CCC(=O)NCCn2ccc3ccccc32)nc2ccccc21 253413562 VCTHDYXIUZRDRM-UHFFFAOYSA-N 374.444 2.637 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 299746474 XPVIPDGFDPGVPT-NXHRZFHOSA-N 369.421 2.566 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NC3CCN(Cc4ccco4)CC3)C2)n1 534629969 USBFPNAQJRPJOH-GOSISDBHSA-N 371.485 2.714 0 50 FFAA Cc1ncn(CCNC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)c1C 827654179 FJQWNELQFHRLPL-HNNXBMFYSA-N 362.433 2.818 0 50 FFAA O=C(NCc1csc(-c2cnccn2)n1)c1cc(-c2ccsc2)[nH]n1 828211457 FKZRLWOEGSENIK-UHFFFAOYSA-N 368.447 2.982 0 50 FFAA NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(-c2ccccc2C(=O)O)c1 584894742 GXADHFMHSNMWPZ-MRXNPFEDSA-N 366.417 2.922 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@](C)(O)c2ccc(C)o2)cc1 185550455 QYAYQMAADYQSDR-KSSFIOAISA-N 351.468 2.556 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)C1 1875379221 PQIRSXSFOBSDGP-GJZGRUSLSA-N 361.511 2.754 0 50 FFAA COc1cc(Br)c(CCNC(=O)Nc2nccs2)cc1O 1875354889 SCDXWIBEUSNENO-UHFFFAOYSA-N 372.244 2.984 0 50 FFAA O=C(CCC1CC1)N1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 1875304481 LNXUEZZWVOHRLX-UHFFFAOYSA-N 374.872 2.823 0 50 FFAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)Cn2cccnc2=O)C1 952872112 KBPAPNMVDILWGR-CYBMUJFWSA-N 360.845 2.772 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CCc1cn2ccccc2n1 1565529542 QTRLDNKLYHGFOA-ROUUACIJSA-N 357.454 2.523 0 50 FFAA COCCN1C(=O)C[C@@H](CNC[C@H]2C(C)=CCC[C@@H]2C)[C@@H]1c1cnn(C)c1 275275332 JQPIBBNYJXGPIV-MEZWHVQBSA-N 374.529 2.538 0 50 FFAA O=C(c1cc(O)nc2ccccc12)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 1073373892 YRFYPXZTUSIURJ-HOTGVXAUSA-N 351.450 2.887 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 277539448 AOLXNJOBQOMYBC-NSHDSACASA-N 356.348 2.982 0 50 FFAA CC(C)N1CCC(NC(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 225540109 ZQLHPCGYHZKSHH-MRXNPFEDSA-N 373.526 2.649 0 50 FFAA CN1CC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)[C@@H]1c1ccc(Cl)c(F)c1 191276692 YICLIJAJJYKQCX-DTJGQCLQSA-N 369.868 2.685 0 50 FFAA CCCN(CCc1ccccn1)c1cc(N2CCCC[C@@H]2CO)ncn1 192326874 WSKRQGZAASNVDF-GOSISDBHSA-N 355.486 2.682 0 50 FFAA C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCN(c2cccc(O)c2)CC1 193814909 FLCMDBZWYPUHCL-VQIMIIECSA-N 361.486 2.819 0 50 FFAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 194207621 MVBSNXZUYHJPMP-UHFFFAOYSA-N 362.451 2.689 0 50 FFAA Cn1ccnc1[C@@H](NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1 1506406934 SGEJDMAFONEIPB-IBGZPJMESA-N 352.482 2.890 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2O)on1 1529158550 FDRXMAKCTHFONW-RDTXWAMCSA-N 356.401 2.548 0 50 FFAA C/C=C(\C)CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 11820878 MTWMKWDMVDXMMJ-FXJIBLRCSA-N 370.541 2.840 0 50 FFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCCCCCC2)cc1 12475186 GYFHNAIOLXGDLV-HXUWFJFHSA-N 371.525 2.915 0 50 FFAA CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 14540586 NQGADZVGTKMOCE-UHFFFAOYSA-N 370.478 2.572 0 50 FFAA O=C1CN(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc2N1 16577032 YMYYESHTIQBQEH-UHFFFAOYSA-N 354.790 2.768 0 50 FFAA Cc1ccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)c(C)c1 169778248 LPFBDUYBCHDACO-UHFFFAOYSA-N 350.422 2.708 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cc3ccc(Cl)cc3nc1O)C2 1857668986 ZHZZLFUXLXVTJJ-SCLBCKFNSA-N 362.813 2.517 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857697071 UBMPIAVLYGYQAM-BPQIPLTHSA-N 356.466 2.634 0 50 FFAA O=C([C@@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CCC(F)(F)CC1 1857715006 XEWOVMPPXAFBIE-LLVKDONJSA-N 365.405 2.907 0 50 FFAA CC(C)(C)c1ccc2oc(CNC(=O)[C@@H]3CCc4ncnn4C3)nc2c1 1857715964 PNYQRNPRPJMNNM-GFCCVEGCSA-N 353.426 2.596 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2c[nH]c3ccc(OC)cc23)C[C@H]1N 1857737634 WDMXMBGSZFOYQX-BOUXLOLZSA-N 373.497 2.758 0 50 FFAA CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)n1 222432644 RJPXPSLEOXKPDS-APWZRJJASA-N 364.493 2.607 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 861269338 KTOBUJGNYSEVTB-QGZVFWFLSA-N 370.428 2.914 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)c2ccc3ccn(C)c3n2)cc1 2100547358 HJOCQWIIORDMCM-UHFFFAOYSA-N 361.405 2.902 0 50 FFAA O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1cccc(F)c1 821644 IJDFHEYRAGRDQF-HNNXBMFYSA-N 358.394 2.830 0 50 FFAA COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 855383 OFOOEXYYRKFGSE-QGZVFWFLSA-N 358.825 2.813 0 50 FFAA Cc1cc(CC(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc(C)n1 2356147462 XLLCIAWFSPQNHY-OAQYLSRUSA-N 350.466 2.846 0 50 FFAA CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1 2857891 YVPJETIGHOAIRW-UHFFFAOYSA-N 371.397 2.735 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cn(C)cn3)C2=O)cc1 2356167198 VAOXWFNLILXUBX-HXUWFJFHSA-N 352.438 2.530 0 50 FFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1OC 3893170 PAESGCKGPRVUFG-GOSISDBHSA-N 367.405 2.970 0 50 FFAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 3903604 NOEXGWBQVAIPIR-MRVPVSSYSA-N 351.737 2.854 0 50 FFAA CC(C)(C)c1ccc(OC[C@@H](O)CNC(=O)c2ccccc2C(=O)O)cc1 4122027 SDKHNHXSAASUNH-HNNXBMFYSA-N 371.433 2.852 0 50 FFAA O=C(Nc1ccc(Br)cc1F)c1cnc2sccn2c1=O 4121088 VPDMTPUUWXJPSD-UHFFFAOYSA-N 368.187 2.910 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 4150412 JTUBJJWMUUKQGL-GHMZBOCLSA-N 364.467 2.945 0 50 FFAA O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 4158609 JLGQDXYHAHQIKS-HOTGVXAUSA-N 362.838 2.952 0 50 FFAA Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(OCC(=O)O)cc1 4476942 YFEOKXMJSYSTNP-UHFFFAOYSA-N 350.374 2.980 0 50 FFAA O=C(N[C@@H](CSC(=O)c1ccccc1)C(=O)O)OCc1ccccc1 4831214 SGXFVAMPPOGQON-HNNXBMFYSA-N 359.403 2.940 0 50 FFAA Cc1nc(N2CCN(C)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 10156555 QWWYXFZMCMYJIX-HNNXBMFYSA-N 354.429 2.589 0 50 FFAA O=C(Nc1cccnc1O)c1nn(-c2ccccc2)c(=O)c2ccccc12 116295835 GPQQDDDRTMBECP-UHFFFAOYSA-N 358.357 2.739 0 50 FFAA CCOc1cc(F)ccc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 249514560 APLJMYJQHDDXIW-IACUBPJLSA-N 362.401 2.727 0 50 FFAA CCn1ncc(NC(=O)Cn2nc(-c3ccc(C)o3)c3ccccc32)n1 23153408 SXABXFPGPLNIER-UHFFFAOYSA-N 350.382 2.855 0 50 FFAA COC[C@@H]1CCCCN1C(=O)c1coc(CN2CCc3ccccc3C2)n1 20912010 ZTGIHFYABKZEGP-SFHVURJKSA-N 369.465 2.874 0 50 FFAA CCOc1cc(CN2CCN(C)C3(CCN(C)CC3)C2)cc(Cl)c1O 67886560 PJDJZVCBVUWTOU-UHFFFAOYSA-N 367.921 2.656 0 50 FFAA C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 229646387 IRLIVQDWVAIOQE-DGCLKSJQSA-N 366.405 2.660 0 50 FFAA COc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CCC(F)(F)C3)C2)cc(OC)c1 331396425 GFJYPSHUUGPLEL-HUUCEWRRSA-N 368.424 2.830 0 50 FFAA Cc1cc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)sc1-c1ccccc1 67770952 XHKDVJIZJUJPNA-CVEARBPZSA-N 371.506 2.790 0 50 FFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)CN1CCCN(C)CC1 65388217 AAMJWLSRPQLVQW-UHFFFAOYSA-N 366.509 2.556 0 50 FFAA COc1cccc([C@@H]2CNC(=O)c3nc(-c4nccn4C(C)C)[nH]c3C2)c1 65494038 CIOPHMHSZHMMEJ-AWEZNQCLSA-N 365.437 2.932 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2nc(C)cs2)CC1 328650256 VMCQNBZZZWGQQD-KRWDZBQOSA-N 359.499 2.645 0 50 FFAA CC(C)c1nc([C@@H]2CN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CCO2)no1 366140328 KWFPFJBOSPUPHY-XHSDSOJGSA-N 374.416 2.971 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72135474 YTFVCBBAPOUGJR-GOSISDBHSA-N 352.482 2.678 0 50 FFAA CSCC[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2[nH]1 215527547 YSSZHPSBVIHLHQ-OAHLLOKOSA-N 355.467 2.999 0 50 FFAA CC(C)C(=O)NC[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 363502265 JQMYBGQCAWUHHK-AWEZNQCLSA-N 360.433 2.860 0 50 FFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4cnn5cccnc45)C3)nc12 77437423 MVYJRRHEJXZZQC-CQSZACIVSA-N 360.421 2.934 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)Cc1cccc(F)c1 284576287 KODJVTCKJDUMLA-OXJNMPFZSA-N 358.461 2.643 0 50 FFAA CN(C(=O)c1[nH]nc(-c2ccccc2)c1Br)C1CCNCC1 125508495 BXQYKKATPZZVQL-UHFFFAOYSA-N 363.259 2.663 0 50 FFAA c1ccc(-n2cc(CN3CCN(C4Cc5ccccc5C4)CC3)nn2)cc1 72141978 PREKPXXGRIWURB-UHFFFAOYSA-N 359.477 2.552 0 50 FFAA CN(Cc1cccc2nccn12)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284785418 ILUCSOISSWZVGD-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA O=C(CN1CCc2ccccc2C1)N[C@H](Cn1ccnc1)c1ccccc1 219906431 IUXMPPACMNBYLO-OAQYLSRUSA-N 360.461 2.799 0 50 FFAA COc1ccc(N2CCN(c3ncnc4sccc34)[C@@H](C)C2=O)cc1 32511594 JQLIAFVPIOWSGY-LBPRGKRZSA-N 354.435 2.942 0 50 FFAA O=C(NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1)[C@@H]1Cc2ccccc2O1 14991382 FQJXFPIWJNBTQA-HKUYNNGSSA-N 354.381 2.633 0 50 FFAA CC[C@@H]1C[C@@H](CC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)CCO1 333756216 OHEADEVPWWOCKO-KSZLIROESA-N 350.503 2.879 0 50 FFAA Cc1ccc(C)c(N2CCN(C(=O)c3ccc(N4CCCC4)nn3)CC2)c1 158327643 ZCIUHUGVDGOPAG-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA Cc1cccn2c(CC(=O)N3CC[C@H](c4ccccc4C(=O)O)C3)cnc12 72160966 VWXBWIFYZKRKSV-HNNXBMFYSA-N 363.417 2.900 0 50 FFAA CSCc1ccc(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)o1 72476963 YLTWRNDWTHCHQI-CQSZACIVSA-N 352.500 2.716 0 50 FFAA COc1ccc(CCN(Cc2ccccc2F)C[C@]2(O)CCCNC2)cc1 72438170 GBAAJVBJVRQWRM-QFIPXVFZSA-N 372.484 2.994 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 17072789 VCJPKCBPMJXJKK-UHFFFAOYSA-N 350.509 2.871 0 50 FFAA COc1ccc2c(c1F)CC[C@@H]2Nc1cccc(C(=O)NCCC(N)=O)c1 290418244 UOGVDZVNXUESBZ-INIZCTEOSA-N 371.412 2.539 0 50 FFAA CCCc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)n(C)n1 222546515 POZVXPORWPJONM-MKJPBZQASA-N 369.465 2.550 0 50 FFAA COc1ccc(CCC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc1 82097107 AAWFTKPYHQJRKD-GOSISDBHSA-N 373.541 2.502 0 50 FFAA O=C(c1ccc(-c2ccncc2)cc1)N1CCC(O)(CN2CCCC2)CC1 426537430 FUCVSNYBLACATA-UHFFFAOYSA-N 365.477 2.812 0 50 FFAA COCCN(Cc1ccccc1Cl)C(=O)NCC[C@@H]1CCCN1C 426485697 PABPRUNYJBRWEO-INIZCTEOSA-N 353.894 2.982 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(F)c1F)C2 91636671 KAYCLBOLUIWCHP-JKSUJKDBSA-N 362.420 2.923 0 50 FFAA CCSc1nc2ccc(NC(=O)NCc3noc(COC)n3)cc2o1 96162885 WFJZMOSSBMZXID-UHFFFAOYSA-N 363.399 2.791 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1 95520157 INRXWRRGLJBACD-CYBMUJFWSA-N 366.849 2.510 0 50 FFAA O=c1cc(CN2CCN(c3ccc(O)cc3)CC2)[nH]c2c(F)cccc12 91985411 JIMPLGLHMXFIGE-UHFFFAOYSA-N 353.397 2.695 0 50 FFAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc(-c2ccccc2Cl)o1 95520336 YKPBQUHOGQKDED-AWEZNQCLSA-N 371.780 2.975 0 50 FFAA CC(C)Cn1c(CN2CCC[C@H](CS(C)(=O)=O)C2)nc2ccccc21 97742925 GWPWLIYJPFCCAF-INIZCTEOSA-N 363.527 2.949 0 50 FFAA O=C(Cn1cc2ccccc2n1)N1CCC(OC[C@H]2CCCCO2)CC1 330214630 GIGSRNGWGBHLEQ-GOSISDBHSA-N 357.454 2.613 0 50 FFAA CC[C@@H](O)Cn1nc(CC(N)=O)nc1-c1ccccc1Oc1ccccc1 96131049 PTDQERSZDWLTSN-CQSZACIVSA-N 366.421 2.536 0 50 FFAA CN(C)C(=O)c1cccc(NC(=O)N2CCN[C@H](c3ccccc3)C2)c1 97775912 GTHFPNRCZFEYEA-SFHVURJKSA-N 352.438 2.567 0 50 FFAA C[C@@H](NC(=O)c1ccccc1-c1ncc[nH]1)c1ccc(S(C)(=O)=O)cc1 97425463 NOLIBZQMFQOTIZ-CYBMUJFWSA-N 369.446 2.971 0 50 FFAA Cc1ocnc1C(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2 95360480 DEMQJULPFSYFAA-QGZVFWFLSA-N 367.449 2.851 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C)cc1C 239173778 OQKZCXNJYXOFJA-FKAIMOKRSA-N 364.445 2.667 0 50 FFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(=O)c2ccc[nH]2)CC1 92077173 ALRMBIBNGPCVQA-UHFFFAOYSA-N 355.482 2.906 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1csc(CN)n1 237514355 NWGWQDJKPJXTCZ-HUUCEWRRSA-N 372.538 2.830 0 50 FFAA Cc1nccn1[C@H](C)CC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91655831 SSSYBMGYHUWXGV-OAHLLOKOSA-N 358.486 2.536 0 50 FFAA O=C(CCN1CC[C@]2(CC(=O)c3ccccc3O2)C1)NCc1cccs1 244691588 JFLDYJDMJDSEHD-FQEVSTJZSA-N 370.474 2.864 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)c1 244794621 QQNIKBWROPLKQM-GOSISDBHSA-N 357.498 2.966 0 50 FFAA CC(C)c1ccc(N[C@H]2C[C@H](c3cc(N4CCOCC4)ncn3)C2)nn1 244900248 ZYNKVEKEKVLEER-SHTZXODSSA-N 354.458 2.585 0 50 FFAA COc1cc2c(cc1OC)CN(c1cc([C@H]3C[C@@H](O)C3)nc(C)n1)CC2 244795874 ROWJRVFOISYPHK-FZNQNYSPSA-N 355.438 2.603 0 50 FFAA CC(C)(C)c1ccccc1OCC(=O)N(CCC(=O)O)C1CCOCC1 299750973 OYFSKWFGZNELHK-UHFFFAOYSA-N 363.454 2.845 0 50 FFAA Cc1cc(CS(=O)(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)no1 864097613 ZCGJJKUGFYJYNG-GFCCVEGCSA-N 369.874 2.677 0 50 FFAA CNc1nccnc1-c1ccc(C(=O)N2CC(N3CCCC[C@H]3C)C2)cc1 534674657 YVXHUFORLKBRPB-OAHLLOKOSA-N 365.481 2.884 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)Nc2nc(C)c3cc(C)oc3n2)c1C 1940196592 UNSVXVGBZFLWNF-UHFFFAOYSA-N 355.398 2.884 0 50 FFAA C[C@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1ccc(-n2cncn2)cc1 299797844 QOOIELUEJFPDGG-AWEZNQCLSA-N 364.453 2.679 0 50 FFAA CN(CC(=O)NC[C@@H](c1ccccc1F)N1CCCC1)Cc1cccnc1 827825653 ADBXQTJTNRUXPC-FQEVSTJZSA-N 370.472 2.606 0 50 FFAA COC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cc(Cl)ccc1OC 584890452 HHRJWIORFQXNRP-AWEZNQCLSA-N 354.834 2.928 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NC[C@@H]1CCN(C2CC2)C1 584894758 ODKUFHCPMCHXLK-AWEZNQCLSA-N 371.460 2.842 0 50 FFAA Cc1ccn2cc(CNS(=O)(=O)c3ccc(-c4cc(C)no4)o3)nc2c1 670443529 SLDWXGCJJQNWIZ-UHFFFAOYSA-N 372.406 2.678 0 50 FFAA Cc1cccc2[nH]cc(CCNC(=O)NC[C@@H](CO)Cc3ccccn3)c12 952875994 KOMLRNCYWWYGKC-INIZCTEOSA-N 366.465 2.564 0 50 FFAA O=C(O)c1cc2sc(CN3CCN(c4ccncn4)CC3)cc2s1 1875291210 RFNQBBXUWLIRAJ-UHFFFAOYSA-N 360.464 2.773 0 50 FFAA Cc1nc(C(=O)N2CCC3(CCCC3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300138 MPNRJPMNNWUFSJ-QGZVFWFLSA-N 371.529 2.640 0 50 FFAA C=CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccsc1OCC 1875383562 ZIIBIUNOWZSGRA-NVXWUHKLSA-N 356.447 2.845 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1ccnc2cc(F)cnc12 1875399621 FUGSEDHVQBFVCA-MLGOLLRUSA-N 354.389 2.581 0 50 FFAA COc1cccc(CC(=O)N2CC[C@H](Nc3ncc(Cl)cn3)[C@H]2C)c1 1875308183 SYCLWUZVRSTOKO-WBMJQRKESA-N 360.845 2.783 0 50 FFAA CC(=O)c1cc(CC(=O)NCc2nc(Cc3cccs3)no2)cs1 952860246 JFYQOUONDRSMKL-UHFFFAOYSA-N 361.448 2.845 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCC(=O)Nc1cccc(CC)c1 952967841 MJORBGRJVPOCMU-SFHVURJKSA-N 373.497 2.827 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)CCn1c(=O)oc2ccc(C)cc21 952976254 NLGJXKCZWLQANQ-KRWDZBQOSA-N 369.421 2.534 0 50 FFAA Cc1nc(CN(C)C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)no1 1342387626 IAAUIGBGEPZQIK-UHFFFAOYSA-N 365.315 2.855 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@H]2N(C)C)cc1 1565517113 NRLNJAVKWSOMOG-CVEARBPZSA-N 372.490 2.998 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(c2nccs2)CC1 275530450 LUNGKDIJQOHXSX-WMLDXEAASA-N 361.515 2.696 0 50 FFAA C[C@H](C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1cccnc1 275742788 VODKKKNLYMJXTP-FUHWJXTLSA-N 366.465 2.860 0 50 FFAA CC(C)CN1CCC[C@@H](CNC(=O)c2cn(C)c(=O)c3ccccc23)C1 277363742 OYQXJWUHXSREOR-INIZCTEOSA-N 355.482 2.636 0 50 FFAA CN1CCC(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)CC1 279615916 CBWXMIJAOQJHLY-XJKSGUPXSA-N 356.388 2.682 0 50 FFAA O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCc2[nH]ncc2C1 172216558 JOFZQYLZGBKUNX-CQSZACIVSA-N 356.813 2.934 0 50 FFAA O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccccc1 172342565 IJXSDYFQFYMRJE-CQSZACIVSA-N 366.343 2.689 0 50 FFAA Cc1ccc(C(=O)N2CCC(Nc3nc(C)cc(C(=O)O)n3)CC2)cc1 1506405353 ZLQFJPFHZOOTCB-UHFFFAOYSA-N 354.410 2.508 0 50 FFAA CC(C)(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCNc1cccnc1 208330313 XFPOZADPJBYKLH-SJORKVTESA-N 360.502 2.721 0 50 FFAA O[C@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@@H]1Cc1ccccn1 1613881854 GTJJZLXOQMJVAB-UGKGYDQZSA-N 351.494 2.581 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCN4[C@H](COC[C@H]4C4CC4)C3)oc2c1 1615965266 OOAAYMHJLCJJAS-YJBOKZPZSA-N 370.449 2.685 0 50 FFAA COc1cccc(CCC(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772816576 WAOBGRNRDDEAJQ-UHFFFAOYSA-N 354.450 2.733 0 50 FFAA CN(C[C@H](O)c1ccccc1)C(=O)c1cn(CCCc2ccccc2)nn1 12439117 LKOHCUKKPZMHHS-FQEVSTJZSA-N 364.449 2.717 0 50 FFAA COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 12716489 BBIQGAWOQSMIHY-GOSISDBHSA-N 374.462 2.725 0 50 FFAA CCOC(=O)C1(CCCc2ccccc2)CCN(S(C)(=O)=O)CC1 12725539 RAWSRRZDFSDRBB-UHFFFAOYSA-N 353.484 2.614 0 50 FFAA O=C1Nc2c(-c3ccc(Cl)cc3)cnn2C[C@H]1CC(=O)N1CCCC1 16626326 UEKWYGPGJFWOIF-CYBMUJFWSA-N 358.829 2.784 0 50 FFAA O=C(CN1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1 19349667 HUMPFJMEWYQLMM-UHFFFAOYSA-N 351.859 2.658 0 50 FFAA OCC[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccccc1F 19608974 YXRJTDNIPWTHAT-QGZVFWFLSA-N 368.456 2.771 0 50 FFAA COc1cc(CN2CCN(Cc3cccc(F)c3)CC2)cc2c1OCO2 19781576 WTTCKMCAGGNGFP-UHFFFAOYSA-N 358.413 2.881 0 50 FFAA O=C(c1ccn2nccc2c1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857696074 LRRZXGHGKVDGQD-UHFFFAOYSA-N 357.417 2.965 0 50 FFAA Cn1ccnc1CNC(=O)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857700054 KPYSBEIACFHXIX-UHFFFAOYSA-N 373.844 2.748 0 50 FFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 225505332 PLRPLMGRDMMKGD-HNNXBMFYSA-N 358.448 2.802 0 50 FFAA Cc1c(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)nnn1-c1ccn(C)n1 333717300 HLRXMDYYIHTIIN-KRWDZBQOSA-N 356.474 2.740 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1ccsc1 247793466 BJBXPZJODBQQKM-SJORKVTESA-N 369.490 2.839 0 50 FFAA Cn1c(CN[C@H]2CCCc3c2cnn3CCO)nc2cc(Cl)ccc21 363504215 FYXNRUFDVINANJ-AWEZNQCLSA-N 359.861 2.583 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCN(Cc2ccccn2)CC1 160319581 VDBHJMDXYCAAEG-NRFANRHFSA-N 364.493 2.930 0 50 FFAA CCOc1ccc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc1OC 264268160 LEPQZUOVOBUQRH-UHFFFAOYSA-N 361.442 2.713 0 50 FFAA COc1ccc(C(C)(C)C(=O)NCc2ccnc(O[C@@H]3CCOC3)c2)cc1 163149957 TUENNMDUONTLCK-GOSISDBHSA-N 370.449 2.852 0 50 FFAA N[C@@H]1CCc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc2NC1=O 912115581 FZUNLSHCSMMVDT-GOSISDBHSA-N 367.424 2.843 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1 23153642 CWELAHUXTQKFKZ-LBPRGKRZSA-N 368.414 2.931 0 50 FFAA O=C1C[C@H](C(=O)N2CCN(c3cccc4nc[nH]c34)CC2)c2ccccc21 2325781319 DLLMKDQBJSFNOO-INIZCTEOSA-N 360.417 2.582 0 50 FFAA CC[C@@]1(C)C[C@H]1C(=O)N1CCC(C)(NC(=O)CC2(COC)CC2)CC1 2325793107 FQEPGFIPHJZEMG-YJBOKZPZSA-N 350.503 2.737 0 50 FFAA Cc1ccc([C@@]23C[C@H]2CN(Cc2nc(Br)cnc2N)C3)cc1 2325802611 PXSKDTMGWGLGDL-GUYCJALGSA-N 359.271 2.903 0 50 FFAA COC(=O)[C@@H]1Cc2ccc(Cl)cc2CN1C(=O)[C@@H]1CC12CCOCC2 2325822973 ABAPNUPIONRFOA-HOTGVXAUSA-N 363.841 2.583 0 50 FFAA O=C(NCCNc1ccc(O)cc1)[C@@H](O)c1ccc(Cl)c(Cl)c1 2325861056 DIDPTDBBCYUTEV-HNNXBMFYSA-N 355.221 2.961 0 50 FFAA O[C@H](CNCc1ccccc1CN1CCCC1)C[C@@H](O)c1ccccc1 905027699 QQEBWLKTVLSIHT-FCHUYYIVSA-N 354.494 2.857 0 50 FFAA COc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 841216 DCVFEYXHYOXRRO-UHFFFAOYSA-N 362.432 2.961 0 50 FFAA CCc1ccccc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 1146142 JOJXLHBJDIVULB-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccccc2)cc1 2906166 XXPLLCJQRXNWNS-UHFFFAOYSA-N 374.506 2.958 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)CCCOc2ccccc2)C1 2356159651 LIWWVDWEZHBZGG-NRFANRHFSA-N 366.465 2.555 0 50 FFAA COC(=O)c1ccc([C@@H]2CCCN(Cc3cccc4ncnn34)C2)cc1 2356164420 RXFKTRKITFTFDZ-QGZVFWFLSA-N 350.422 2.896 0 50 FFAA COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(C)=O)c(OC)c1OC 4020246 NEXDYNIRBKKKOQ-MDYRTPRTSA-N 363.454 2.927 0 50 FFAA COC(=O)N[C@@H](C)C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1 2356170212 KMGQFCBTNUCGHI-NSHDSACASA-N 350.806 2.576 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6727045 BEYAEIJMMUGRIU-LRMJVLKBSA-N 374.456 2.607 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6742629 XIVKBHMAJIFYJK-GHBBCFCZSA-N 370.493 2.510 0 50 FFAA C[C@H](CCn1cccn1)NC(=O)CCSc1ccc2c(c1)OCCO2 55227158 SOYMCDUIALKFRA-CQSZACIVSA-N 361.467 2.732 0 50 FFAA COc1ccccc1CNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613721 IYDJAAFFLXSYIA-UHFFFAOYSA-N 364.401 2.592 0 50 FFAA biogenic Cc1c(-c2ccnc(N3CCCC3)n2)cnc2nc(-c3ccncc3)nn12 54202075 IGTXRXLMWHNJQU-UHFFFAOYSA-N 358.409 2.552 0 50 FFAA CC[C@H]1C=CCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 67868861 CTUPGUMHZFHHGZ-AWEZNQCLSA-N 365.393 2.625 0 50 FFAA CC(C)CCN1CCN(Cc2cnc(N3CCCC3)s2)C[C@@H]1CCO 22932893 GGAKYEOOYONSOH-KRWDZBQOSA-N 366.575 2.658 0 50 FFAA Cc1ccc(C)c(C(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)c1 67620819 OUYAEPORUVSNJB-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@H]1OCCc2ccccc21 137295530 FXVDYZFGWBCFEC-IBGZPJMESA-N 371.458 2.683 0 50 FFAA COc1ccccc1-c1n[nH]c2c1CN(Cc1cnn3cccnc13)CC2 23214872 XVXAJDDDAVUIEV-UHFFFAOYSA-N 360.421 2.686 0 50 FFAA OC[C@]1(CCc2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1 67713811 CBXMBOJPPSHFEE-NRFANRHFSA-N 363.465 2.874 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)cc1 472610180 LALLNMLSKPBBNQ-IBGZPJMESA-N 358.463 2.972 0 50 FFAA CC(C)CN1C[C@H](C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CCC1=O 67688346 SAQBOMNEXGQCPL-CQSZACIVSA-N 358.486 2.511 0 50 FFAA O=C([C@H]1CCCCO1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1 23380541 PAPGWGZIGIBCNK-LJQANCHMSA-N 354.454 2.602 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1c1cccc(F)c1F 119770063 GUUXKCXOTMLKEK-NEPJUHHUSA-N 364.421 2.642 0 50 FFAA C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1ccc2c(c1)OCO2 172532865 CZDCPMHDZBSJLK-CYBMUJFWSA-N 356.426 2.799 0 50 FFAA CC[C@@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccncc1 175300619 LAUMWZKZUZTTDH-HXUWFJFHSA-N 368.481 2.939 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CCCN(C2CCN(CC3CCC3)CC2)C1 71415670 YCIJREJKGKECIR-HXUWFJFHSA-N 370.541 2.674 0 50 FFAA Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 125937957 AFBYGBLURIMBBW-UYAOXDASSA-N 366.461 2.840 0 50 FFAA Cc1ccc(Br)c(S(=O)(=O)Oc2ccccc2C(N)=O)c1 126107287 OXDAZDJBRPEWJM-UHFFFAOYSA-N 370.224 2.624 0 50 FFAA COc1cccc(CN2CC3(CCN(C(=O)c4cc[nH]c4)CC3)CC2=O)c1 77504934 LFFJQMOHNWITGB-UHFFFAOYSA-N 367.449 2.678 0 50 FFAA COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)c1 72150529 CCHXZCPNDTWTPF-INIZCTEOSA-N 374.418 2.656 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@@H](c2ccsc2)O1 329408919 BCJKMPANPMLFAQ-BZNIZROVSA-N 367.448 2.628 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1CCCO[C@@H](CN2CCCCC2)C1 216396666 CLYFIEOJKRIANU-SFHVURJKSA-N 355.482 2.814 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)C2)c1 378024781 IDWFPOICMDCNAO-YGRLFVJLSA-N 364.339 2.547 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 72475069 XJTHVVZTRCRNDQ-SFTDATJTSA-N 360.542 2.811 0 50 FFAA CCCCCc1nnc(NS(=O)(=O)c2cn3c(n2)CCCC3)s1 369849941 DQKHCIKAUGWSRN-UHFFFAOYSA-N 355.489 2.604 0 50 FFAA C[C@@H](NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 332884868 PYUGEBZLDLALPF-NVXWUHKLSA-N 372.517 2.501 0 50 FFAA CCc1cc(N2CCC[C@H](C(=O)N(CC)CC)C2)n2nc(C)c(C)c2n1 72410230 ABSHQLQFISHGHE-INIZCTEOSA-N 357.502 2.993 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c2nccn21 333427600 SZVPOVILUUBYLP-XGXHKWSGSA-N 365.481 2.805 0 50 FFAA CC(C)=CCN1CCN(Cc2coc3ccc(C)cc3c2=O)C[C@H]1CCO 36379392 WNEJEPIKDUSJPK-LJQANCHMSA-N 370.493 2.936 0 50 FFAA FC(F)(F)[C@H]1CCN(c2cncc(-n3cccn3)n2)CC12CCOCC2 334025738 HBNLISVYNNDZPD-ZDUSSCGKSA-N 367.375 2.848 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3Cc4ccccc4C3)ccc21 77519941 RSTWIQXREGJVJI-UHFFFAOYSA-N 351.406 2.522 0 50 FFAA Cc1ccc(-n2ncc(C(=O)NCC[C@@H]3CCNC3)c2C(F)(F)F)cc1 262576117 JLTUUIYOWHDQRC-ZDUSSCGKSA-N 366.387 2.929 0 50 FFAA CNCCN1C(=O)CC[C@H]2CN(Cc3oc4ccccc4c3C)CC[C@H]21 72448307 YTKXBHQPXYMACL-FUHWJXTLSA-N 355.482 2.774 0 50 FFAA Cc1noc(C)c1-c1nccn1C[C@@H](c1ccccn1)N1CCOCC1 71757319 FSTGNDXRURZOGE-KRWDZBQOSA-N 353.426 2.623 0 50 FFAA CNC(=O)[C@H]1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)C1 71422415 APBHWYLXDBZJQM-HNNXBMFYSA-N 357.454 2.843 0 50 FFAA O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)[C@@H]1CCc2[nH]nnc2C1 241262036 LATKTSRCZSHALD-CYBMUJFWSA-N 367.384 2.552 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1 82137573 IXGHGKKPCXFICZ-FQEVSTJZSA-N 370.472 2.871 0 50 FFAA CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241965543 UTRQWCCKMJFAAK-DARAHFNDSA-N 356.422 2.676 0 50 FFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)N(C)C[C@H]1CCOC1 426649775 WBANZOVFSUQKGQ-GFCCVEGCSA-N 351.397 2.975 0 50 FFAA CN(CCNc1cc([C@@H]2CCOC2)ncn1)Cc1nc2ccccc2s1 426465188 MDNQCTQGYQNTDX-CQSZACIVSA-N 369.494 3.134 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)c3cccc(F)c3)CC2)n1C1CC1 82127097 DKUICTJFUMBNBG-UHFFFAOYSA-N 371.460 2.834 0 50 FFAA CCCc1c(C(=O)N(C)[C@H]2CCNC2)nnn1-c1ccc(C(C)(C)C)cc1 179052399 BZAXXQFCJOEUHX-KRWDZBQOSA-N 369.513 2.951 0 50 FFAA O=C(NCc1cc2ccc(F)cc2nc1O)c1ccccc1-n1cnnc1 426597303 WTSFWZFGAVNGAU-UHFFFAOYSA-N 363.352 2.590 0 50 FFAA CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1 426514630 JDOLYNBAZRXXJY-GOSISDBHSA-N 372.490 2.533 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1noc3c1CCCC3)CC(=O)N2 91934842 QVEJFXAZLMOXNU-HNNXBMFYSA-N 369.421 2.646 0 50 FFAA CCCn1nccc1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 426691314 QZGPLMWQTKYXBE-UHFFFAOYSA-N 362.424 2.966 0 50 FFAA COc1ccc2c(c1)CCN(Cc1ccc(OCC(N)=O)c(Cl)c1)CC2 95360170 BFHQNPXTLJEQIJ-UHFFFAOYSA-N 374.868 2.814 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 95522745 YZOINDGUNMISMG-QGZVFWFLSA-N 356.470 2.615 0 50 FFAA Cc1cc(N2CCCN(C(=O)NC[C@@H]3CCN(CC(C)C)C3)CC2)ccn1 426489951 CGGLTJXLXQHDEL-IBGZPJMESA-N 373.545 2.590 0 50 FFAA COc1nccnc1N1CCC(c2nccn2Cc2ccccn2)CC1 92046244 WJGPHPBAIUEZDA-UHFFFAOYSA-N 350.426 2.509 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCC[C@](CCCOC)(C(=O)O)C1 92098674 ANHAPRILPFTGMK-QGZVFWFLSA-N 357.882 2.729 0 50 FFAA O=C(NCc1ccc(Cl)cn1)NC1CCN(Cc2ccncc2)CC1 180511861 FLWCAPVEUBAOFQ-UHFFFAOYSA-N 359.861 2.594 0 50 FFAA COc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)cc1-n1cnnn1 180593202 XWVFUYXKOHGENF-MRXNPFEDSA-N 363.421 2.521 0 50 FFAA CC[C@@]1(C(N)=O)CCCN(c2nc(C)nc3c2Cc2ccccc2OC3)C1 95526162 UZESCTLBFBFRMT-OAQYLSRUSA-N 366.465 2.750 0 50 FFAA Cc1c(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)oc2ccccc12 95525041 KSZVVEQHIKXWNQ-FQEVSTJZSA-N 365.433 2.826 0 50 FFAA O=c1ccc2ccc(OCCCN3CCN(c4ccccn4)CC3)cc2o1 96028219 YMPDLIIYNSSSEX-UHFFFAOYSA-N 365.433 2.779 0 50 FFAA CC(C)n1cc(NC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 97076539 LOVSVFIZCZLNDN-INIZCTEOSA-N 371.441 2.997 0 50 FFAA O=C1NCCC[C@@]12CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2 91452183 MJXLPPFEDWHQRX-QFIPXVFZSA-N 353.510 2.746 0 50 FFAA Cc1cccc(CN(C(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)C2CCCCC2)c1 97698702 ZKHHDOSSDWQVIQ-GOSISDBHSA-N 371.481 2.939 0 50 FFAA C/C=C/CC(=O)N1CCCn2nc(CCC(=O)NC3CCCC3)cc2C1 91486435 OPVFXUVXTAZFDR-NSCUHMNNSA-N 358.486 2.573 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)Nc2ccc(F)cc2)cc1 248015850 KYNBIPGSWHHCJK-KKXDTOCCSA-N 374.437 2.782 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)nc2O)[C@H]2C[C@@H](O)C2)cn1 253534787 CVJVPPXMBFHZIO-QWQRMKEZSA-N 371.437 2.556 0 50 FFAA O=C(O)[C@@H]1CCCN1CC(=O)N(CCc1ccccc1)Cc1ccccc1 299745862 SYSZHUPCUHPKLY-FQEVSTJZSA-N 366.461 2.807 0 50 FFAA COc1cccc(N2CCC[C@H](NC(=O)Nc3nc4ccccn4n3)C2)c1 184323560 GKQQHVGMPCNCPU-AWEZNQCLSA-N 366.425 2.528 0 50 FFAA CCONC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 276527516 CQAPNPDITPFICO-IZZDOVSWSA-N 363.410 2.716 0 50 FFAA Cc1ccc([C@@H](NC(=O)CN2CCCCC2=O)c2cccnc2)c(C)c1 299800681 XLEQXXQIZHUTLX-NRFANRHFSA-N 351.450 2.917 0 50 FFAA Cc1ncn(CC(=O)NCc2nc3cc(C(F)(F)F)ccc3n2C)c1C 299798346 ROKRIBCGNHOQOK-UHFFFAOYSA-N 365.359 2.722 0 50 FFAA CCN(C)C1(CNC(=O)Cn2c(C)cc(=O)c3ccccc32)CCCC1 299780742 CLVPCRRWEMNDLW-UHFFFAOYSA-N 355.482 2.691 0 50 FFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc2nc(O)cc(C)c2c1 823086411 KSHQVSBLJGDROF-AWEZNQCLSA-N 364.467 2.829 0 50 FFAA C[C@H]1CN(C(=O)[C@H]2C[C@H]2C)C[C@@H](C)[C@@H]1N=c1[nH]c(Cl)ncc1Cl 1875407797 HYIDYLTUWAIGHN-IIEKFROSSA-N 357.285 2.756 0 50 FFAA FC(F)(F)[C@@]1(c2nc(-c3ncc[nH]3)no2)CCN(c2ccccn2)C1 952893225 GTZBCZJNAAOQIH-AWEZNQCLSA-N 350.304 2.565 0 50 FFAA CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](c2nc(C3CC3)no2)C[C@H]1O 952848065 AFFYNGMHTBMLGI-SQWLQELKSA-N 358.442 2.614 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]c(C)c4C3)C2)c1 1875293067 BGKDEQOCZYSUOI-CABCVRRESA-N 369.465 2.856 0 50 FFAA Cc1cc(C(=O)N2C[C@H](C(=O)O)CC(C)(C)C2)c2cnn(C(C)C)c2n1 1875334240 HBKBFKOIMFHPBA-CYBMUJFWSA-N 358.442 2.894 0 50 FFAA Cc1nsc(N2CCCC[C@H]2CNC(=O)c2cnc3ccccc3n2)n1 1875308158 SFJYRVBYYOWPDT-ZDUSSCGKSA-N 368.466 2.579 0 50 FFAA CC1=C(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)OCCO1 952980810 INYZXWMDZAAPIX-WAOWUJCRSA-N 357.450 2.944 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2c(F)cccc2Cl)C1 886085260 BOVVRXBHIZAZCV-VUCTXSBTSA-N 354.853 2.780 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(Cc3nc4ccccc4o3)C2)ccn1 886068683 IOHVIOHZCAODHW-KRWDZBQOSA-N 366.421 2.512 0 50 FFAA COc1cccc(C(=O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)c1 59181603 YAUMOGALQJYOJQ-KRWDZBQOSA-N 371.414 2.851 0 50 FFAA in-vitro Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 273256490 VOJNIZPAOHPGDB-CQSZACIVSA-N 366.462 2.875 0 50 FFAA Cn1cncc1CCC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 281450273 CLOYHJWETHBBCT-NSHDSACASA-N 355.364 2.501 0 50 FFAA CN(C)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)O)c1 225584104 MYDQOWCHOPFANG-UHFFFAOYSA-N 356.350 2.530 0 50 FFAA CCCS(=O)(=O)Nc1ccc(NC(=O)NCC(F)(F)C(F)F)cc1 225681645 UANWGONVNHVFFQ-UHFFFAOYSA-N 371.356 2.860 0 50 FFAA CCCc1c(NC(=O)COC[C@H]2CCOC2)cnn1-c1ccc(F)cc1 191092878 QNDJXFXLNKABSP-AWEZNQCLSA-N 361.417 2.956 0 50 FFAA COc1ccccc1Nc1ccccc1C(=O)NC[C@]1(CCO)CCOC1 192967268 WMHJQFKDDYYTFG-NRFANRHFSA-N 370.449 2.958 0 50 FFAA CN(C)C(=O)c1ccc(NC[C@H](c2cccnc2)N2CCCCC2)nc1 1704343896 KTOKOWQBQSRSFK-GOSISDBHSA-N 353.470 2.818 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)CN2Cc1cccc(Cl)c1Cl 216387234 XZEIWLOBWFDWRK-HIFRSBDPSA-N 370.324 2.978 0 50 FFAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1ccc(CSc2ccccn2)cc1 1615699791 VOSGKGPOLQRSJR-IRXDYDNUSA-N 367.474 2.924 0 50 FFAA CC(C)N1C[C@H](CN2CCC3(CC2)Nc2ccccc2NC3=O)CCC1=O 1775981158 APZIYGGJKHRYNP-INIZCTEOSA-N 370.497 2.532 0 50 FFAA O=C(O)CN1C[C@@H]2CN(Cc3nccs3)C[C@]2(CCc2ccccc2)C1 1772813939 BWQHDYSTMDJMEV-FXAWDEMLSA-N 371.506 2.594 0 50 FFAA Cc1csc([C@H](C)N(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)n1 11663714 VNLZAYNSNZLSBO-ZDUSSCGKSA-N 358.471 2.869 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccccc3C(F)(F)F)C2)CC1 11818222 HKWNNBBMHFOTED-AWEZNQCLSA-N 369.431 2.994 0 50 FFAA O=C(/C=C/c1ccccn1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 12077856 LAXMSTZUUFRIMU-IJDCCNJMSA-N 358.401 2.672 0 50 FFAA COc1ccc(-n2c(CNC(=O)c3cccs3)nnc2SC)cc1 12132033 UZBDHYXJMMYABM-UHFFFAOYSA-N 360.464 2.989 0 50 FFAA O=C(c1cnccn1)N1CCC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 14950559 VFNMOWQGIQHKON-QUCCMNQESA-N 350.466 2.646 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3ccc(F)cc3Cl)C2)C1=O 14961936 MXLDREMOKQTGDZ-GOSISDBHSA-N 354.853 2.940 0 50 FFAA CCOc1c(Cl)cc(C(=O)NCCCN2CCOCC2)cc1Cl 16265183 BWAOAUHQAVUUDR-UHFFFAOYSA-N 361.269 2.844 0 50 FFAA CCCCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16661436 FFWMJEJDYJBSJR-UHFFFAOYSA-N 356.513 2.723 0 50 FFAA O=C(CSc1nc(O)cc(=O)[nH]1)N(c1ccccc1)c1ccccc1 18042568 JYVALTAMHSZGRR-UHFFFAOYSA-N 353.403 2.933 0 50 FFAA COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1Cl 19909336 BPCVLVHWYKJDPD-UHFFFAOYSA-N 350.827 2.800 0 50 FFAA CC(C)NC(=O)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760212 MZQVCQBQKVWXKT-UHFFFAOYSA-N 364.449 2.561 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3CC(=O)N[C@@H]3C2)cc1F 1857677130 YEGMEPBJXXIWGF-QFBILLFUSA-N 352.409 2.685 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3CC(=O)NC3CC3)s2)c1 1857693179 LSCVZKFELOWOHY-UHFFFAOYSA-N 354.435 2.961 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CCc4c(O)nc(C(C)(C)C)nc43)C2)n[nH]1 1857696911 QIOJLNNLSJWZAD-FQEVSTJZSA-N 369.469 2.631 0 50 FFAA O=C1C[C@H]2N(Cc3cccc4ccnn34)CC[C@]23OC[C@@H](c2ccccc2)N13 1857732513 ULELUUGCPSZYNO-VWPQPMDRSA-N 374.444 2.609 0 50 FFAA CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CO)CC1 334160619 ITLCVOOZAVDUID-CMTQZCSUSA-N 374.525 2.673 0 50 FFAA COc1ccc(C(=O)NCc2ccc(C(N)=O)cc2)c(OCC(C)C)c1 252500349 SSROZRCFMUMLTC-UHFFFAOYSA-N 356.422 2.759 0 50 FFAA C[C@H]1CCCCN1C(=O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 151812709 RTWFDNZYYBLPNB-NSHDSACASA-N 368.268 2.972 0 50 FFAA CN(C(=O)c1ccnn1C)[C@@H]1CCOc2ccc(Br)cc21 364120570 LVDCJSMPAXCCPA-GFCCVEGCSA-N 350.216 2.778 0 50 FFAA C[C@@H]1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CC2(CCOCC2)O1 366155487 GYRQDSMZQUTHQO-QGZVFWFLSA-N 369.465 2.601 0 50 FFAA O=C(c1ccc2nccn2c1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 367347002 RRAHTPWVTVCZIE-IBGZPJMESA-N 355.825 2.807 0 50 FFAA Cn1ccnc1CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CC12CCNCC2 262124759 MTFZWJGUEZSFRA-IBGZPJMESA-N 364.493 2.693 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(CCCOc2ccccc2)C[C@@H]1O 1704327770 GERXMSUHGXHNNV-RBBKRZOGSA-N 369.461 2.836 0 50 FFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 786199 CCFFINUYBWCFRH-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1 23153643 CWELAHUXTQKFKZ-GFCCVEGCSA-N 368.414 2.931 0 50 FFAA O=C1N[C@@H](C2CC3(CCC3)C2)C(=O)N[C@H]1c1csc(Br)c1 2325777005 XPDDEEYBYCZCEJ-RYUDHWBXSA-N 369.284 2.747 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(c2ncnc4c2[S@](=N)(=O)CCC4)C3)cc1 2325789394 MUFBFNCNJJEDCL-MJECEPGDSA-N 354.479 2.915 0 50 FFAA Cc1cccc2c1c(CCNCc1ccc3c(c1)C(=O)NCCO3)cn2C 2325857565 GSKNPDPOBFBSEJ-UHFFFAOYSA-N 363.461 2.941 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2F)CC1)c1ccc2cccnc2c1 2325871438 LPBADFXKVVNKKP-ZACQAIPSSA-N 355.413 2.704 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCCC[C@@H]3C[C@H](C)O)ccc21 2325889257 HQVVERQDSPBTHW-MAUKXSAKSA-N 356.466 2.917 0 50 FFAA CCOC(=O)c1c(Br)cc(OC)c(N)c1Br 40571598 DBZFYTCWNFLGIB-UHFFFAOYSA-N 353.010 2.979 0 50 FFAA COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 915715 OJUKMBGNBORINC-LSDHHAIUSA-N 362.813 2.542 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Cl 944432 NPVHVXASPIKGSQ-IUCAKERBSA-N 354.255 2.800 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 1773675 MYPIJTYQLJOZHB-UHFFFAOYSA-N 368.842 2.785 0 50 FFAA COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 2858252 GBIOURIAZVIZOF-UHFFFAOYSA-N 357.385 2.966 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2C)n2ncnc2N1 4987127 NMHIEKHSAMLXKC-WMLDXEAASA-N 354.410 2.598 0 50 FFAA Cc1nnc(SCC(=O)N(CCCCO)Cc2ccccc2)s1 55383814 DBCNJXYVLKXIRG-UHFFFAOYSA-N 351.497 2.740 0 50 FFAA Cc1nc(Nc2ccc(NC(=O)C(C)C)cc2)cc(N2CCOCC2)n1 21794403 GVBDLUJJYLEUGW-UHFFFAOYSA-N 355.442 2.960 0 50 FFAA CCCn1nc(C)c(CNC(=O)c2cnc(-c3cccnc3)nc2)c1C 65455623 SNKVVTFZNOXERK-UHFFFAOYSA-N 350.426 2.692 0 50 FFAA NS(=O)(=O)c1cc(F)cc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 118548437 WWVIFISGIZTQBP-OAHLLOKOSA-N 355.435 2.660 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 65364332 ZLJXVRSWDZYCFW-DOTOQJQBSA-N 352.500 2.542 0 50 FFAA COc1ccc2ccccc2c1-c1cc(Cn2ccc3nncn3c2=O)on1 252503767 VGUJPCZGUJGZPO-UHFFFAOYSA-N 373.372 2.756 0 50 FFAA O=C(NCCN1CCOCC1)N1Cc2ccccc2C[C@@H]1c1ccccc1 173977571 SJXPTVPJTVDZHE-OAQYLSRUSA-N 365.477 2.828 0 50 FFAA Cc1nc(CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)sc1C 173183424 CNMCSRCMBHGNCX-UHFFFAOYSA-N 368.510 2.603 0 50 FFAA Cc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1C 72441476 XXEKUXBHXKXSBG-UHFFFAOYSA-N 368.477 2.944 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)c3snnc3C(C)C)C2)CCC1=O 72474695 VHPBLJGKNVZZJT-QGZVFWFLSA-N 350.488 2.526 0 50 FFAA Cc1cc(C)nc(-n2cc(C(=O)N3CCC[C@@H](C(=N)O)C3)c(C(C)C)n2)n1 330922741 RULFOTQACJJBCL-CQSZACIVSA-N 370.457 2.790 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 72480280 QIUZMAIROKLBHS-MRXNPFEDSA-N 368.485 2.822 0 50 FFAA O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](OCc2ccncc2)C1 333456489 OOQWZDNLMNTGGF-LJQANCHMSA-N 372.490 2.940 0 50 FFAA COc1ccc(CN2CCN(C)[C@@H](CO)C2)cc1OCc1ccccc1F 215676586 HHAOWLQAYTXLGF-GOSISDBHSA-N 374.456 2.522 0 50 FFAA CCCCC(=O)N1CCC2(CC1)CN(CC[C@@H](C)SC)CCN2C 71315101 IYNHKWYSOCSIKV-QGZVFWFLSA-N 355.592 2.927 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)c1 219827783 IQUJDYSDOYQDDY-UYAOXDASSA-N 371.433 2.808 0 50 FFAA CN(CC1(CO)CCOCC1)c1cc(-c2ccccc2)nc2ccnn12 72150225 OMURSHUTQRAEMN-UHFFFAOYSA-N 352.438 2.622 0 50 FFAA Cc1cc(C(=O)N2CCC(N)CC2)nn1-c1ccc(Br)cc1 157656388 ZCUYLYWKOUXVFF-UHFFFAOYSA-N 363.259 2.507 0 50 FFAA COc1ccccc1OC1CCN(C(=O)COC[C@@H]2CCCCO2)CC1 77343247 YJAMAYJZLTUMKZ-KRWDZBQOSA-N 363.454 2.651 0 50 FFAA Cc1cccc(=O)n1CCCNc1nc(C2CCCC2)nc2c1cnn2C 72135337 HVSSNYZVDVJVFX-UHFFFAOYSA-N 366.469 2.993 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3cccc(F)c3C)ncn2)n1 72441796 UGEHDPDNHCRESV-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2cc[nH]c2c1 222453111 MXUHPIPGKCBOCP-IEBWSBKVSA-N 369.421 2.877 0 50 FFAA O=C1CCC2(CCN(C(=O)CCSCc3ccc(F)cc3)CC2)N1 221197037 IOOIDUKGSSXOSB-UHFFFAOYSA-N 350.459 2.720 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCC[C@H]3CCCCN3CC(C)C)C2)n1 426493104 XGWNZNOGYMLOKP-GOSISDBHSA-N 361.534 2.967 0 50 FFAA COc1cccc(N2CCN(Cc3ccc(OC)c(OC)c3)CC2=O)c1 82137089 AHRJAOWTOOIZPG-UHFFFAOYSA-N 356.422 2.561 0 50 FFAA COC[C@@H](NC(=O)c1cccc(-c2ccc(OC)nc2)c1)c1ccnn1C 426509577 VRSSQAZEJSGILK-QGZVFWFLSA-N 366.421 2.608 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)Cc2nc3nc(C)cc(C)n3n2)c1 223110393 UABOCJSHUGQQNZ-KRWDZBQOSA-N 365.437 2.656 0 50 FFAA C[C@@H](Sc1ccccn1)C(=O)N(C)Cc1nc(-c2ccncc2)no1 220364119 DTNJAIZDMOMBNM-GFCCVEGCSA-N 355.423 2.666 0 50 FFAA O=C1N(Cc2ccc(-n3cccn3)cc2)c2ccccc2NC12CCNCC2 82097948 AKADCQVJWUVQQM-UHFFFAOYSA-N 373.460 2.953 0 50 FFAA CCn1cnnc1[C@H](C)NC(=O)N1CCC(Oc2cccc(C)c2)CC1 426537846 ZNHAYFRUUNIMCE-HNNXBMFYSA-N 357.458 2.920 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCC2CCN(C(C)C)CC2)CC1 426494398 LPBSCYSPIDUIJA-UHFFFAOYSA-N 373.545 2.732 0 50 FFAA CC[C@@H](OC)C(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91915224 AQMKPKIMLOXQEQ-QPGLYAHGSA-N 370.493 2.966 0 50 FFAA CSCc1noc(CNC2CCN(c3nc4ccccc4o3)CC2)n1 95354599 HZYLLNNTOUEMNN-UHFFFAOYSA-N 359.455 2.832 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCN(Cc3ccsc3)CC1)C2 95391846 JELHUUFIQTYLJN-QGZVFWFLSA-N 372.490 2.652 0 50 FFAA NC[C@@H]1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)nc2O)C1 92080825 QNCOTQRJALPXTI-VIFPVBQESA-N 367.236 2.577 0 50 FFAA Cc1cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)on1 91906842 ZAWWGRMBBDHAOO-QFBILLFUSA-N 365.477 2.616 0 50 FFAA Cc1cc(NC(=O)N(C)CCCc2nccn2C)ccc1N1CCCC1=O 96180340 XHZYMNOBFPONAR-UHFFFAOYSA-N 369.469 2.952 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccn(C(C)(C)C)c2)[C@H]2C[C@H](O)C2)c1 244748557 OJOKOQUPUDEOEI-ZVZYQTTQSA-N 357.454 2.889 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1n[nH]c2c1CCC2 252539665 OHDGTUHSCCJANE-OHNRDTAOSA-N 362.433 2.689 0 50 FFAA CCCCCNC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252535759 GUHQWFHWOZYQAB-QGZVFWFLSA-N 370.453 2.532 0 50 FFAA CC(C)c1ncc(-c2cccc(C(=O)NCCc3noc(CO)n3)c2)s1 534670943 OQKBLSQZEBVQMX-UHFFFAOYSA-N 372.450 2.781 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)N[C@@H](C)c3nc(C4CC4)no3)c2)[nH]1 299758288 LEKAUIYXKQWORY-VIFPVBQESA-N 353.386 2.923 0 50 FFAA Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)c(C)c1C 299763658 ZBVJZXQUJBPFQI-GOSISDBHSA-N 370.493 2.929 0 50 FFAA CC(C)(C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1)N1CCOCC1 299788427 SIWXSCAIDJHIPC-SFHVURJKSA-N 357.429 2.537 0 50 FFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)n2)ccc1F 299760477 SZGXVJBRSHIUPD-BTTYYORXSA-N 357.385 2.886 0 50 FFAA Cc1c(NC(=O)NCC[C@@H](C)n2ccnc2)cccc1-c1nncn1C 299795269 LAXLJXOUCYRFLV-CYBMUJFWSA-N 353.430 2.760 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@H](C)N2CCN(C)CC2)c1 820636804 XZQLMAMYHURCQV-INIZCTEOSA-N 372.513 2.698 0 50 FFAA COc1ccc2cc(S(=O)(=O)NCc3noc(C4CC4)n3)ccc2c1 824758319 HVZQGPXVYQHRTB-UHFFFAOYSA-N 359.407 2.587 0 50 FFAA COc1cc(CCNC(=O)CCn2cnc3ccccc32)cc(OC)c1 824549270 VIOLIQDYLNIWPI-UHFFFAOYSA-N 353.422 2.803 0 50 FFAA CCc1nc(N2CCC[C@@H](CNC(=O)c3cnc4c(c3)CCCC4)C2)no1 823576205 XUUZPNPODOGGEC-AWEZNQCLSA-N 369.469 2.552 0 50 FFAA O=C1Cc2cc(CNC(=O)c3csc(-c4ccccn4)n3)ccc2N1 1875252287 LRRLYCHWPTYYDH-UHFFFAOYSA-N 350.403 2.630 0 50 FFAA NC(=O)[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875323335 FHBPYCHCNPHQLO-KOXOONSLSA-N 367.371 2.608 0 50 FFAA O=C(NC[C@@]12CC[C@@](C(=O)O)(CO1)C2)c1ccnc(-c2ccccc2)c1 1875306733 MYODIJTWMIZKJJ-PMACEKPBSA-N 352.390 2.502 0 50 FFAA C=CC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(C(C)(C)C)n1 1875386785 YSIAATBFHOLZQU-DZGCQCFKSA-N 363.527 2.960 0 50 FFAA Cc1cc2nc(O)[nH]c2c(NC(=O)[C@H]2Cc3ccccc3CN2C)c1C 952975993 QTTPHOPJHCSUSW-MRXNPFEDSA-N 350.422 2.881 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F 886036506 DIIFYPXISACJNY-HIFRSBDPSA-N 353.344 2.840 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cc(C(F)(F)F)n[nH]3)C[C@@H]2N(C)C)cc1 1565508377 WOSADLITTWKSEM-HIFRSBDPSA-N 366.387 2.907 0 50 FFAA O=C(NC[C@H](c1ccccc1)N1CCOCC1)N1CCC(C2CC2)CC1 1477331276 SPVFKNZTXIOELY-HXUWFJFHSA-N 357.498 2.892 0 50 FFAA OCCO[C@H]1CCCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)C1 169987438 NLEINCQFSWQFPX-LBPRGKRZSA-N 368.359 2.535 0 50 FFAA CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCN(Cc2ccccc2)C1=O 189783806 BIKKFOPLJMKQMM-LJQANCHMSA-N 360.417 2.503 0 50 FFAA CN1CCC(=O)Nc2cc(C(=O)N[C@H]3CCCc4c(O)cccc43)ccc21 190255646 BMZCXAQDSQEBTB-INIZCTEOSA-N 365.433 2.978 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225407990 PFLZORCMAXJIOA-NHYWBVRUSA-N 353.344 2.695 0 50 FFAA CCC1=NO[C@H](CNS(=O)(=O)c2cc(-c3ccno3)sc2C)C1 1506409182 ONODBFKUJZANFT-NSHDSACASA-N 355.441 2.545 0 50 FFAA CN(C)C(=O)c1ccc(N(C)CCc2nc3ccc(Cl)cc3[nH]2)nc1 1529158441 COJUOWJHZDCUEH-UHFFFAOYSA-N 357.845 2.992 0 50 FFAA CCCn1nc(C)c(NC(=O)CCn2cnc3ccccc3c2=O)c1C 1529167579 NWXGOJUYBVJVSG-UHFFFAOYSA-N 353.426 2.649 0 50 FFAA Cc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)n1[C@@H](C)C(=O)O 1848442970 QHPNVAGOHDVFCK-NSHDSACASA-N 355.346 2.843 0 50 FFAA O=C([C@H]1CCc2sc(-c3ccncc3)nc2C1)N1CCc2nocc2C1 1772807127 JHPCCIIGDDYRNT-ZDUSSCGKSA-N 366.446 2.883 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1cccc(Br)c1 5453153 VAXAVWPSLNZIAG-UHFFFAOYSA-N 358.195 2.798 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)n(C)n1 11771016 OKDHSCFRXFSCER-AWEZNQCLSA-N 373.428 2.865 0 50 FFAA COc1cccc(-c2noc3c2CN(C(=O)C2=C(C)OCCO2)CC3)c1 11818573 WOCASGRUSLYEDY-UHFFFAOYSA-N 356.378 2.513 0 50 FFAA CC(C)CN1CCC(CNC(=O)[C@H]2CCN(c3ccccc3)C2=O)CC1 12467128 WOYGZSKKTXPNJP-LJQANCHMSA-N 357.498 2.524 0 50 FFAA O=c1/c(=C/c2ccc(-c3cccc(Br)c3)o2)sc2ncnn12 16265403 MQBUVUYEUIAVSJ-QPEQYQDCSA-N 374.219 2.721 0 50 FFAA Cc1ccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)cc1C 169752708 KHARZGIZTSQEHH-UHFFFAOYSA-N 363.421 2.573 0 50 FFAA CCNC(=O)c1cc2n(n1)C[C@@H](c1ccc(Br)cc1)OC2 169759706 USVAZTLHQKQKSN-AWEZNQCLSA-N 350.216 2.667 0 50 FFAA COC(=O)C[C@@H](c1ccc(Cl)cc1)c1c(O)n2ccccc2nc1=O 205976302 ZKAISWBXSGUSNL-ZDUSSCGKSA-N 358.781 2.749 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669277 HAXRRIJIUCDYTG-RBBKRZOGSA-N 351.446 2.754 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)Cn1c(C)cc(=O)c3ccccc31)CCC2 1857675442 YFVKQCMVKIPBBW-MRXNPFEDSA-N 364.449 2.546 0 50 FFAA COc1ccc(CN(C)[C@H]2CCOC3(CCNCC3)C2)c2cccnc12 1857678520 MFEMQOFUYKIZRO-KRWDZBQOSA-N 355.482 2.976 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H](N)Cc1ccccc1)CC2 1857695520 MXNDWFBVCPUMKQ-FQEVSTJZSA-N 374.488 2.584 0 50 FFAA COc1ccc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1Br 237189400 QGOGIKWPHSNQBY-MRXNPFEDSA-N 370.243 2.714 0 50 FFAA Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1(c2c(F)cccc2F)CC1 129758819 KAIWJTURUGHLEA-UHFFFAOYSA-N 373.359 2.575 0 50 FFAA CC(=O)N(CC(=O)O)[C@@H]1CCCN(Cc2cccc3cccnc23)CC1 262946962 ODOGMCOZLUTESX-GOSISDBHSA-N 355.438 2.522 0 50 FFAA COCC[S@](=O)Cc1cccc(NC(=O)c2c(Cl)n[nH]c2C)c1 900742106 ONHFIJVDEZLVNM-QHCPKHFHSA-N 355.847 2.519 0 50 FFAA CC(C)Cc1nc(CN2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)no1 1704325425 LHWBHZCVKSBHEM-HXUWFJFHSA-N 370.501 2.604 0 50 FFAA C[C@]1(c2noc(C[C@H]3NC(=O)c4ccccc43)n2)COc2ccccc2O1 906142004 PIHJKHNZLINSHP-JLTOFOAXSA-N 363.373 2.783 0 50 FFAA CO[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O)[C@@H]1CCOC1 857569644 SYIWNGKSFZPSIE-IUODEOHRSA-N 360.435 2.504 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2C[C@H](N(C)C)CCc3ccccc32)CC1 857932424 SBWGECZMLCSBGE-LJQANCHMSA-N 371.525 2.791 0 50 FFAA Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2Br)n1 987332 YMCKLXGKANMQBT-UHFFFAOYSA-N 360.215 2.671 0 50 FFAA CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC 730195 RFILEDRLFXFGHE-UHFFFAOYSA-N 358.423 2.690 0 50 FFAA Cn1c(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)nc2ccccc21 15062909 QNUYCFXYRJGLBH-NRFANRHFSA-N 352.482 2.798 0 50 FFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)Cc1cccc(C(N)=O)c1 2325864180 IIVBALFPCYFLBE-UHFFFAOYSA-N 363.417 2.650 0 50 FFAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 2068638 RIFNPYOIRYZGNV-UHFFFAOYSA-N 358.467 2.754 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3cn(C)c(C)n3)CC1)OCC2 2356144800 MSBVUZNXFRZWID-UHFFFAOYSA-N 371.481 2.810 0 50 FFAA COc1ccccc1N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 2765211 TXRRSNBTZBLLRR-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA C=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCOC)C3=O)c1 2876044 ZIPFCBRFNIANBX-UHFFFAOYSA-N 350.374 2.824 0 50 FFAA CCc1ccc(Cn2nc(CC(N)=O)nc2-c2cccc3c2COC3)cc1 2356156684 MNTQMTLVLDECPO-UHFFFAOYSA-N 362.433 2.614 0 50 FFAA O=C(NCCOc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 2995262 YLDOPLFFHXYAKU-CQSZACIVSA-N 358.825 2.888 0 50 FFAA O=S(=O)(N=S(N1CCCCC1)N1CCCCC1)c1ccccc1 3893049 JSFVFAMVYZPWKH-UHFFFAOYSA-N 355.529 2.979 0 50 FFAA CCCN(C[C@H]1CCCO1)C(=O)CCCn1cnc2ccccc2c1=O 55281657 CEZVTSNRIRVNKN-MRXNPFEDSA-N 357.454 2.594 0 50 FFAA COc1nc2c(cc1C(=O)N1Cc3cnc(CC(C)C)nc3C1)CCC2 67886615 NFLSQWJETGTBJU-UHFFFAOYSA-N 352.438 2.723 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)N(C)Cc2nc(C3CC3)no2)n1 65498842 JSMXXECABMRXLS-UHFFFAOYSA-N 367.409 2.897 0 50 FFAA Cn1cnnc1C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 24695782 NIFXXUIBXCRUKY-UHFFFAOYSA-N 369.252 2.907 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc2c(C)cc(=O)oc2cc1C 65431669 YQVDWZNVRDJKJF-KGLIPLIRSA-N 356.422 2.901 0 50 FFAA CCN(CC)C(=O)CC[C@@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1 12185011 HNYXHOJIJYHUON-LJQANCHMSA-N 350.434 2.674 0 50 FFAA O=C1CCC[C@@H]1CC(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67541820 LTCMCPYGJNJRCD-CQSZACIVSA-N 366.417 2.935 0 50 FFAA C[S@](=O)C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1 173139260 XLJTWNZOWIJQJB-MYYSRTQBSA-N 353.390 2.580 0 50 FFAA COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3csnn3)C2)cc1C 12718634 UUROZMUJSZAXSF-ZDUSSCGKSA-N 359.451 2.899 0 50 FFAA COC(=O)c1cc(OC)c(OC)cc1NC(=S)NCc1ccccc1 2582379 QPNJBPMVWUACOS-UHFFFAOYSA-N 360.435 2.977 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 39420789 ZRAXCDJUIKMRST-GOSISDBHSA-N 374.506 2.604 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)CO1 173730444 GHNLCVXSFPZGST-SZVBFZGTSA-N 368.433 2.617 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCc1cc2n(n1)CCCNC2 72447321 UIGMULPWRNRODW-UHFFFAOYSA-N 369.444 2.588 0 50 FFAA Cc1cc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2cc3c(cc2n1)OCO3 72434533 XMRLDXIEJSMQCJ-LJQANCHMSA-N 355.394 2.693 0 50 FFAA Cc1c(-c2nc(C3(N)CCC3)no2)nnn1-c1ccc(OC(F)F)cc1 261846065 SKOVDRWPYRXBNU-UHFFFAOYSA-N 362.340 2.565 0 50 FFAA O=C(CCCc1nc(C2CC2)no1)N1CC[C@@](O)(c2ccc(F)cc2)C1 371558730 BEJDBIOAZWHJGK-IBGZPJMESA-N 359.401 2.529 0 50 FFAA c1cn2c(n1)CC[C@@H](NCc1csc(-c3ccc4c(c3)OCO4)n1)C2 371573333 SRECKLKAQJGCAI-CYBMUJFWSA-N 354.435 2.840 0 50 FFAA CN(CC(=O)N1CCC(Oc2cccc(F)c2)CC1)Cc1ccncc1 77489220 GSLHTSVGLAPKBO-UHFFFAOYSA-N 357.429 2.723 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3ccnn3C(F)F)cn2)c1 72470421 NESMAAIXABMDAU-UHFFFAOYSA-N 361.352 2.745 0 50 FFAA O=C(c1ccncc1Cl)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 219692864 FCJSZQQZHKWSFI-GOSISDBHSA-N 368.824 2.669 0 50 FFAA C[C@H](Cc1cn(C)c2ccc(F)cc12)NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 333914647 MKSMAGHBOGJALL-WWGRRREGSA-N 365.474 2.567 0 50 FFAA C/C=C/Cc1nnc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)o1 71662566 UJDDTVCDVNBWFH-SNAWJCMRSA-N 351.410 2.955 0 50 FFAA Cc1ccccc1SC1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 77471708 OJIWNXQCPHQCLC-UHFFFAOYSA-N 367.536 2.903 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(OC)c3)CC2)cc1 14239731 ZNCRNJWVAKSTOJ-UHFFFAOYSA-N 374.506 2.764 0 50 FFAA CC(C)n1cc([C@@H]2CN(Cc3cc(-c4ccco4)on3)C[C@H]2CO)cn1 285489965 NXIAOLYYTRSZGK-RDJZCZTQSA-N 356.426 2.920 0 50 FFAA C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)C[C@H]1COc2ccccc2O1 239274916 AXPGJISHMCSIKT-ZFWWWQNUSA-N 370.405 2.514 0 50 FFAA C[C@H](c1ccncc1)N1CCC(N[C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 246026599 LDKDSPKCZXFYEE-AYOQOUSVSA-N 365.543 2.552 0 50 FFAA Cc1csc(SCC(=O)NCCc2nc(C)c3c(n2)CCCC3)n1 221371362 TYETXQGLLONXJR-UHFFFAOYSA-N 362.524 2.880 0 50 FFAA COc1cccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1O 220276036 SHYNCYHSXFWWRP-JFIBYHEFSA-N 369.417 2.578 0 50 FFAA C[C@@H](CN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1 82155866 UVUJILADOBNFFV-INIZCTEOSA-N 355.486 2.664 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)[C@H]1CCCN(Cc2ccco2)C1 95355711 JJINTIYHIOBGDY-INIZCTEOSA-N 366.421 2.858 0 50 FFAA COc1cccc(CNC(=O)N2CC(OCc3ccccc3F)C2)c1OC 426690741 SZMFYPDQPNZSFI-UHFFFAOYSA-N 374.412 2.954 0 50 FFAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 91756208 FNCZYSHXHSWTMK-UHFFFAOYSA-N 365.424 2.899 0 50 FFAA Cn1ccnc1[C@H](NC(=O)c1cccc(-c2ccc(C(N)=O)o2)c1)C1CC1 426545418 PNBKUHVXFNUEHU-QGZVFWFLSA-N 364.405 2.660 0 50 FFAA O=C(NCc1ccccc1F)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 426465309 UKXBFTIZPXVUFB-DOTOQJQBSA-N 372.396 2.614 0 50 FFAA O=C(NCC1(Cn2ccnc2)CC1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 91713252 BASNIBHGHWYZCZ-GOSISDBHSA-N 372.513 2.598 0 50 FFAA C[C@H]1CN(CC(=O)NCCc2nc3ccccc3[nH]2)Cc2ccccc2O1 23191444 NNSGFEJSNBHXLF-HNNXBMFYSA-N 364.449 2.505 0 50 FFAA Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCNC(=O)C1(C)C 181634527 ZBKKABGYGNYUSP-UHFFFAOYSA-N 365.405 2.747 0 50 FFAA O=C1NCCN(C(=O)c2c[nH]nc2C2CCCCC2)[C@@H]1Cc1ccccc1 91847159 HVYVVESPASYPNT-GOSISDBHSA-N 366.465 2.641 0 50 FFAA COc1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1Cn1cncn1 97243792 YYLJSNSOZJTRDG-GOSISDBHSA-N 353.426 2.969 0 50 FFAA CC1(C)SC[C@@H](C(=O)NCCc2cccc(Cl)c2Cl)NC1=O 97619338 KTOKHIKZABMGQQ-NSHDSACASA-N 361.294 2.662 0 50 FFAA CCOC(=O)c1nc[nH]c1C(=O)NCc1cc(F)ccc1C(F)(F)F 97515034 NEKWZNVRCAQLSP-UHFFFAOYSA-N 359.279 2.674 0 50 FFAA CCOC(=O)CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 92062505 XIBHJYHVQILLTM-IBGZPJMESA-N 370.493 2.810 0 50 FFAA Cc1ccc(CC2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)cc1C 294733274 OWBHDKHVHIJVDS-UHFFFAOYSA-N 351.512 2.908 0 50 FFAA C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(C(=O)O)CC1 237538726 HVJOPQMLVOMJSW-SNVBAGLBSA-N 356.216 2.540 0 50 FFAA CSc1cccc(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 91997809 VVISFCHJKDGOPV-UHFFFAOYSA-N 372.465 2.961 0 50 FFAA Cn1nccc1CCNC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 96137841 XEIVYILIXBIQBC-GOSISDBHSA-N 358.442 2.732 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCCC[C@H]1CCn1ccnc1 91574124 OFYMBVVYXDRSDY-KRWDZBQOSA-N 350.426 2.753 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cc(-c2ccccn2)n[nH]1 244659415 HCFHJDBWTQOYQK-JFIYKMOQSA-N 362.433 2.584 0 50 FFAA COCc1cc(CNC(=O)c2ccc(-c3cccc([C@H](C)O)n3)cc2)[nH]n1 534653118 LQGFREQQQPNQRT-ZDUSSCGKSA-N 366.421 2.601 0 50 FFAA Cc1nnc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)s1 299782294 FWMLEXMUHOITMA-UHFFFAOYSA-N 356.495 2.643 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cc(F)c(F)cc1Cl 299803091 WJCCAZFTEINIMW-GFCCVEGCSA-N 358.816 2.991 0 50 FFAA COc1cc(NC(=O)NCCSc2nnc(C)s2)cc(OC)c1 299774917 JBYSNIBODHOHGU-UHFFFAOYSA-N 354.457 2.778 0 50 FFAA CC(C)n1ncnc1-c1cccc(C(=O)N[C@@H](C)CCn2cccn2)c1 584899085 XINKMYLDUMJQQW-HNNXBMFYSA-N 352.442 2.931 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)oc2c1 670439066 BRAJWEGWZJBJIA-CYBMUJFWSA-N 352.394 2.548 0 50 FFAA Cc1cc(C(=O)N[C@@H](CC2CC(F)(F)C2)C(=O)O)c2c(n1)CCCC2 1875354591 KAITWJUOKTYBFQ-HNNXBMFYSA-N 352.381 2.887 0 50 FFAA Cn1cnc2sc(C(=O)NS(=O)(=O)CCCC3CCCC3)cc21 1875354691 LTXXDPSCVOWCND-UHFFFAOYSA-N 355.485 2.665 0 50 FFAA COc1cccc([C@H](C)C(=O)N[C@]2(C)CCN(C(=O)[C@@H]3CC34CC4)C2)c1 1875407365 XVLMPSYARPJZFF-GZRFBZBPSA-N 356.466 2.706 0 50 FFAA O=C(N=c1cc(C2CCOCC2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875263460 GUGMRBKPCUHIDU-UHFFFAOYSA-N 366.425 2.614 0 50 FFAA OC[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnc(-c2cc(O)c3ccccc3c2)o1 1875292888 VTUUEPFUFUIPAH-UXLLHSPISA-N 351.406 2.941 0 50 FFAA COc1cc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)ccn1 952979802 OOKRLEKOTXKYFI-SFHVURJKSA-N 356.422 2.790 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2NCc2nc(-c3ccccc3F)no2)cnn1C 886091306 NSKQAOSNQFQTDP-DOTOQJQBSA-N 357.389 2.537 0 50 FFAA Cc1cc2cccc(C(=O)N[C@H]3CCN(Cc4ccccn4)C[C@@H]3O)c2o1 1565506776 UABUMZZIGGVSQJ-OALUTQOASA-N 365.433 2.501 0 50 FFAA Cc1ccc(-n2cc(C)cn2)c(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 185460332 BRZUVTRSUQBBTI-LJQANCHMSA-N 356.426 2.512 0 50 FFAA C[C@@H](Sc1ccccn1)C(=O)N1CCN(c2cc(C3(C)CC3)n[nH]2)CC1 170599062 FYOAFFFKVROAEO-CQSZACIVSA-N 371.510 2.686 0 50 FFAA COCC1=CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 170598998 UKNBADCYHZUAOJ-FUHWJXTLSA-N 362.857 2.665 0 50 FFAA COc1ccc([C@@H](C)CC(=O)NS(=O)(=O)c2sc(C)nc2C)cc1 170654748 FOQROCCHRGTNEY-JTQLQIEISA-N 368.480 2.767 0 50 FFAA O=C(c1ccccc1F)N1CCCN(C[C@@H](O)Cc2ccccc2)CC1 192531369 MQHPFLLSWUDFAT-SFHVURJKSA-N 356.441 2.577 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC1CCN(C(C)C)CC1 198230446 ZJLUXEQTQICGRA-GOSISDBHSA-N 363.477 2.569 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)c2cccc3c2NCCC3)CC1 1506406766 JDNIRTAGVOXESV-UHFFFAOYSA-N 353.422 2.626 0 50 FFAA COc1cc(C(=O)Nc2ccnn2C2CCN(C)CC2)c2ccccc2n1 1506425587 DBOSTCREFBYFGU-UHFFFAOYSA-N 365.437 2.959 0 50 FFAA COCc1cc(CNS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)[nH]n1 1506402831 KNYCHVQRTGGROA-UHFFFAOYSA-N 365.499 2.949 0 50 FFAA CC(=O)c1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 213245110 TYKBOXDJMWOCES-SJORKVTESA-N 354.450 2.752 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3ncc(Cl)cc3F)C2)N1Cc1ccccn1 219937107 NMOITVCDNPPTPC-DOMZBBRYSA-N 360.820 2.897 0 50 FFAA Cc1cccn2ncc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)c12 1772708531 DFUUXIWNRCXVTO-LJQANCHMSA-N 363.465 2.995 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2nc(CCOC)oc2c1 11873921 DNCJDVQIOKSZEM-HNNXBMFYSA-N 374.437 2.965 0 50 FFAA O=C(c1cscn1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 11934031 KWFINCZQWBEUJO-IBGZPJMESA-N 373.453 2.937 0 50 FFAA Cc1ccn(CCC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 12713901 DQWNDFOQXZONHX-HXUWFJFHSA-N 354.498 2.795 0 50 FFAA COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccccc1)CC2 14539468 FBENQMQQWSFHII-UHFFFAOYSA-N 373.497 2.588 0 50 FFAA CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1 14954339 HEAIGWIZTYAQTC-QGZVFWFLSA-N 365.368 2.969 0 50 FFAA CC[C@@H](C)CC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCCC1)C2 14997163 WVZQHXMTUISHHL-NEPJUHHUSA-N 363.483 2.885 0 50 FFAA CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860074 SMROHIISWTXYHD-AWEZNQCLSA-N 372.918 2.797 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1)c1cccc(O)c1 1857714495 BNSIMOQYYZBOPA-ZIFCJYIRSA-N 372.852 2.990 0 50 FFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857727305 NZQNHYBCFWMXGH-CGTJXYLNSA-N 371.506 2.507 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3nc4ccccc4[nH]3)C2)N1Cc1cscn1 219612139 NIXLRSGLOFCSHI-HIFRSBDPSA-N 367.478 2.642 0 50 FFAA Cn1c(=O)[nH]c2cc(C(=O)N3CC[C@H](Oc4ccccc4Cl)C3)ccc21 120577917 NHMXSLQIISXSND-ZDUSSCGKSA-N 371.824 2.814 0 50 FFAA CN(Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328631120 KBEOUZFQBNRPPU-PKOBYXMFSA-N 358.534 2.887 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@H](O)Cc2ccccc2)[C@@H]1c1cnn(C)c1 328653459 WWHWVJXYGRSCSK-KSEOMHKRSA-N 370.541 2.729 0 50 FFAA CNC[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 237321546 VXSSRGVYPUKISC-SECBINFHSA-N 356.797 2.589 0 50 FFAA C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 246681760 HFLNGBQDBVEZEJ-BZUAXINKSA-N 357.454 2.691 0 50 FFAA COc1ccccc1[C@H]1CN(Cc2cn3cc(C)ccc3n2)C[C@@H]1C(=O)O 248328530 BRQNRZWZHAJYIV-MSOLQXFVSA-N 365.433 2.952 0 50 FFAA Nc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)c1-c1ccccc1 253614566 WFNZOITYYSJGGU-RDJZCZTQSA-N 365.481 2.605 0 50 FFAA CO[C@H]1CCCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 374666402 UTVCTHHUSJERGV-LBPRGKRZSA-N 356.264 2.551 0 50 FFAA Cc1cccc(CNC(=O)CN2CC[C@H](OCc3c(C)noc3C)C2)c1 375178438 UANZBKVTNQSCDZ-SFHVURJKSA-N 357.454 2.507 0 50 FFAA Cc1sc(=O)n(CCC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1C 265155976 DVLKKPVBLYYSFQ-UHFFFAOYSA-N 374.441 2.558 0 50 FFAA CC(C)Oc1ccc(C(=O)N2CCC(CN3CCCCC3=O)CC2)cn1 265457318 MCVNYFASGYUNFM-UHFFFAOYSA-N 359.470 2.734 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 2100482845 CIQQYXFAUNVZCP-MSOLQXFVSA-N 362.433 2.768 0 50 FFAA O=C(C[C@@H]1OCCc2ccsc21)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 2325751210 UFSBBFOWPFWAMX-RDJZCZTQSA-N 373.430 2.629 0 50 FFAA C[C@H](NCc1ccnc(N2CCN(C)CC2)n1)c1cccc2ncccc12 2325773830 JPLYWWZFUBYVPY-INIZCTEOSA-N 362.481 2.627 0 50 FFAA Cc1cc(N2CCN(c3nc(F)c(F)cc3F)CC2)nc(C(F)F)n1 2325805061 MSSQXCKDEZEFKX-UHFFFAOYSA-N 359.302 2.862 0 50 FFAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@H](C(F)(F)F)CO1 2325813435 SFFSXEWTKRXGKZ-GJZGRUSLSA-N 353.344 2.515 0 50 FFAA CC1(C)C[C@H](n2nc(-c3nc[nH]n3)nc2-c2c[nH]c3ncccc23)CCO1 2325865455 CTHISIXUAGGGQP-LLVKDONJSA-N 364.413 2.737 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(C)cc(Br)c2O)CC1 2325883491 BYLMUZKCOOTKSW-UHFFFAOYSA-N 367.243 2.826 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCSc3c2c(C)nn3C)cc1 2325890048 VXUIEMNHOCAAPT-UHFFFAOYSA-N 356.451 2.630 0 50 FFAA Oc1cc(N2CC[C@H](Nc3ncc(F)c(-c4ccsc4)n3)C2)ncn1 897347019 DOUHJHXXIMXMOL-NSHDSACASA-N 358.402 2.531 0 50 FFAA C[C@H]1CN(c2ccncc2)CCN1C(=O)c1cc(-c2cccs2)[nH]n1 1455935610 QWIBAEYMSPVAFA-ZDUSSCGKSA-N 353.451 2.884 0 50 FFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(Br)ccc1OC 758725 OMOCRJQFEWZFOD-NSHDSACASA-N 354.200 2.508 0 50 FFAA CCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 1124547 MTZYUKDWLURXET-INIZCTEOSA-N 364.195 2.869 0 50 FFAA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OC)cc1 1221355 UAONXTVGZKXTPJ-NHYWBVRUSA-N 360.435 2.907 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccncc1 2374520 UUVMPBMKTRPLNY-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2ccc3ncccc3c2)C1 2356145967 ZBNIHXBYPMSKOK-NRFANRHFSA-N 359.433 2.558 0 50 FFAA CCN(C(=O)CSc1nnnn1-c1ccccc1F)c1ccccc1 2871520 VIKQRHKNCJMETO-UHFFFAOYSA-N 357.414 2.947 0 50 FFAA O=C(COc1ccccc1Cl)N1CCC[C@]12CCCN(C1CC1)C2=O 2356152712 XPLVRTCJBHKANV-IBGZPJMESA-N 362.857 2.865 0 50 FFAA Cn1nnnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6525995 VDRWFRWXAOQJTR-UHFFFAOYSA-N 352.634 2.901 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 101277252 LYURIHUNSUUWJM-ONIAQPFYSA-N 374.868 2.507 0 50 FFAA CC(C)(C)c1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1 57524347 QPFROQNMMGACSD-UHFFFAOYSA-N 357.483 2.983 0 50 FFAA Cc1ccccc1CN(CCN(C)C)Cc1ccc(S(C)(=O)=O)cc1 55283013 CJFZAWWIVXOODD-UHFFFAOYSA-N 360.523 2.962 0 50 FFAA O=C(NC(=S)N1CCN(C/C=C/c2ccccc2)CC1)c1ccco1 20229119 FIEBDHZWEQUBQU-XBXARRHUSA-N 355.463 2.625 0 50 FFAA O=C(N[C@@H](CO)c1ccccc1)c1cc(COc2cccc(F)c2)[nH]n1 67894090 CIUPNYZLVLMWGY-SFHVURJKSA-N 355.369 2.591 0 50 FFAA CN1CCN(CCOCCOc2ccc(Cc3ccccc3)cc2)CC1 20653171 IKYJQTDMOFGRFC-UHFFFAOYSA-N 354.494 2.920 0 50 FFAA CCc1nc(C)c(CN2CCN(c3nc(-c4ccccc4)no3)CC2)[nH]1 67674264 HGWUNLHMHICLED-UHFFFAOYSA-N 352.442 2.653 0 50 FFAA NC(=O)[C@@H]1CCCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)C1 23282187 ZUAHBIBQKLJGBT-SECBINFHSA-N 355.221 2.797 0 50 FFAA O=C1CCCN1CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708624 AGDMUYIWUJWPHG-CQSZACIVSA-N 357.237 2.516 0 50 FFAA O=C(CNC(=O)c1csc2nc(-c3ccccc3Cl)cn12)NC1CC1 67641716 AJELRXGGWVHTET-UHFFFAOYSA-N 374.853 2.725 0 50 FFAA CC[C@H](O)CNC(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 67983297 ZAGJCFGBUIMCGN-NSHDSACASA-N 361.423 2.672 0 50 FFAA COc1ccc(CN2C[C@H](c3nc(-c4ncoc4C)no3)CC2=O)cc1 351046290 ZTXMROSNUWJDAW-CYBMUJFWSA-N 354.366 2.558 0 50 FFAA C[C@H](C1CC1)N(C)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 229694127 WSBJKTKHXQZSGC-XWIAVFTESA-N 367.449 2.517 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 20907843 TUKPUXWDBUQAFV-HXUWFJFHSA-N 373.497 2.628 0 50 FFAA COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(C(C)C)C3)n2)c(OC)c1OC 23231383 OHVPSAQMBSQTSF-GFCCVEGCSA-N 359.426 2.827 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 120805413 ICIWUXLWLRGBHQ-OAHLLOKOSA-N 351.422 2.551 0 50 FFAA O[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[C@H]1c1ccc2c(c1)OCO2 67726746 JYXAEJYAZRUHQC-JKSUJKDBSA-N 365.389 2.820 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 67982459 PGIOFIWPVSYAGD-CQSZACIVSA-N 356.348 2.570 0 50 FFAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Br 124300791 GQSIXRHLAXEFCS-KRTXAFLBSA-N 361.186 2.501 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3csc(NC)n3)C2)CCC1=O 77406915 IGIQBGWPJQMTCA-GOSISDBHSA-N 364.515 2.830 0 50 FFAA O=C(CCCn1cncn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12597004 CGSPVQTUOVYUQV-OAQYLSRUSA-N 373.545 2.953 0 50 FFAA O=S1(=O)CC[C@@H](Cn2ccnc2-c2cc(CN3CCCC3)cs2)C1 71761269 BRUAAIQLISVVGL-AWEZNQCLSA-N 365.524 2.642 0 50 FFAA OCC[C@]1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1 125822977 XFXCIWIERCQDEG-LJQANCHMSA-N 370.896 2.822 0 50 FFAA CN(C)CCN1C[C@@]2(CCCN(c3ccc(Cl)cn3)C2)CCC1=O 72426003 CLEZDSGYKOXRNR-SFHVURJKSA-N 350.894 2.506 0 50 FFAA CC(C)c1cc(C(=O)N(CCC(=O)O)C2CCOCC2)nn1C(C)(C)C 236881261 NTXWFMJHNHLYBH-UHFFFAOYSA-N 365.474 2.857 0 50 FFAA O=S(=O)(c1cnc2n1CCC2)N1C[C@H](c2ccccc2)C2(CCC2)C1 333914173 MHPQENZDNKLJPM-MRXNPFEDSA-N 357.479 2.788 0 50 FFAA C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 333956114 GTIJXAVYRGTXEQ-GFCCVEGCSA-N 369.387 2.528 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3cc(C)nn3C)CC2)OC1=O 77391917 PYVFCCLMTDRSGL-UHFFFAOYSA-N 362.474 2.736 0 50 FFAA O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)[C@H]1CNCCO1 237896694 IPEMXKTWRBKROI-CQSZACIVSA-N 366.343 2.771 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cn(CC)nc3C)C2)CCC1=O 77554059 DVJNGLRXBCPJCP-HXUWFJFHSA-N 360.502 2.856 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)NCCSc2ccccc2)n(C)n1 215454058 YSVPSZQFAFLTBG-UHFFFAOYSA-N 369.494 2.960 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@@H](O)c2ccccc2C1 378639478 UMGLFPBIAHXSNX-HXUWFJFHSA-N 352.434 2.603 0 50 FFAA Cc1ncn(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c1C 218969559 AELVSATTZRBYIF-UXHICEINSA-N 352.482 2.623 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)cc2c1 219666711 WKZGUZSRTNJLMX-SJLPKXTDSA-N 367.405 2.538 0 50 FFAA C[C@@H](C(=O)NC1(C)CCOCC1)n1c(S)nnc1-c1cccs1 130868939 XFMJHHPIEOBJPY-JTQLQIEISA-N 352.485 2.542 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 241466097 NUUNMHNDCIBXIX-HZSPNIEDSA-N 354.472 2.619 0 50 FFAA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(C(=O)O)cc1)CC(=O)O2 217992740 DUEXSCANESGBAU-GFCCVEGCSA-N 358.346 2.852 0 50 FFAA biogenic C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 286946506 FIPIUIHHCDZXOE-JQWIXIFHSA-N 367.291 2.748 0 50 FFAA OCCNc1cc(-c2ccc(N3CCCCCC3)nn2)c2cc[nH]c2n1 72140343 JLGFJBGHBJVKCV-UHFFFAOYSA-N 352.442 2.805 0 50 FFAA COCc1cc(CN2CCN(c3ccccc3C)C(=O)C2)ccc1OC 82087689 APLUGTVYICLHPL-UHFFFAOYSA-N 354.450 2.999 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)N[C@H]2CCc3ccccc32)N1 426545010 INOKRTCCDRUUSB-HKUYNNGSSA-N 364.449 2.559 0 50 FFAA CCCN1CCCn2nc(CNC(=O)NCCc3ccccc3F)cc2C1 82134384 DVQSVRCAGVAXCA-UHFFFAOYSA-N 373.476 2.680 0 50 FFAA Cc1ccc(C(=O)CCCN2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cc1 91645380 XDGOSNYIWFDHOY-QFIPXVFZSA-N 371.525 2.586 0 50 FFAA O=C(O)[C@H](c1cccc2c1OCC2)N1CCC(Oc2cccnc2)CC1 95523349 APZXWPNYIHOTGR-SFHVURJKSA-N 354.406 2.686 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cccs1)C2 91676686 HDBFQPMMLIQWKO-DOTOQJQBSA-N 369.490 2.839 0 50 FFAA CC(C)c1nc(C(=O)NC2CCC(C(=O)O)CC2)nn1-c1ccccc1F 236826200 RIDNKADXEJLOKK-UHFFFAOYSA-N 374.416 2.903 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)NCCc2nc(C3CC3)no2)cc1 95503222 XRRZHVMXQFQOAF-UHFFFAOYSA-N 352.398 2.805 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)NCCc2ccccc2OC(F)(F)F)CC1=O 91745824 FYDJQRDCHFFVGS-ZDUSSCGKSA-N 372.387 2.891 0 50 FFAA Cc1cccc2[nH]c(CNC(=O)C3CCN(C(=O)C4CCC4)CC3)nc12 95385394 QXVZGRRNTVIETB-UHFFFAOYSA-N 354.454 2.526 0 50 FFAA CCc1ncc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cn1 95381267 VECDNMTWGIQPHU-SFHVURJKSA-N 355.438 2.739 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237387260 DBXLDNIFIQLFQT-CYBMUJFWSA-N 357.410 2.802 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(c1ccc(C(F)(F)F)cn1)CCN2C 92045701 RDTRQVAPJVDJNE-QGZVFWFLSA-N 370.419 2.623 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cnc(C4CC4)nc3)CC2)cc1 294746671 YQVWOBMLFFVKBE-UHFFFAOYSA-N 364.449 2.697 0 50 FFAA CCC(CC)n1c(=O)n(Cc2ccn(CC)n2)c2cc(C(=O)OC)cnc21 95502529 FIZYMQPCFQPGII-UHFFFAOYSA-N 371.441 2.610 0 50 FFAA Cc1nc(N[C@H]2C[C@H](c3nnc(CO)n3C3CC3)C2)c2sccc2n1 244873086 WJWROFPEONGGOK-XYPYZODXSA-N 356.455 2.777 0 50 FFAA Cc1ncc(CN(C)S(=O)(=O)c2cnn(Cc3ccccc3)c2)s1 299312712 HIGHFBQBHJOUNT-UHFFFAOYSA-N 362.480 2.517 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H](Cc3ccncc3)[C@H]3C[C@@H](O)C3)cc2o1 252532932 FLWUSHNLLZMSER-SOLBZPMBSA-N 351.406 2.643 0 50 FFAA Cc1cnc2c(C(=O)N[C@@H](C)c3cnc(-c4ccncc4)nc3C)cnn2c1 92038004 ZVSWRYPTYVSKLH-AWEZNQCLSA-N 373.420 2.689 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)Cn1nc(C)c2ccccc2c1=O 299785730 KFVUSVXHEHXSIN-HNNXBMFYSA-N 368.462 2.664 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)N(CC2CCC2)C[C@@H]2CCCO2)c1 299777485 QJPDHWIFEMDRTA-SFHVURJKSA-N 359.470 2.788 0 50 FFAA COc1ccc(CC[C@H](C)N2CCOC3(CCN(C(C)=O)CC3)C2)cc1 824662317 FYTLAOKFXPDWNQ-KRWDZBQOSA-N 360.498 2.730 0 50 FFAA C=CC(=O)NCCC(=O)N1Cc2c(Br)cccc2C(C)(C)C1 1875387187 SQTVDBGUSBNPQM-UHFFFAOYSA-N 365.271 2.761 0 50 FFAA C[C@]1(NC(=O)[C@@H]2C[C@H]3CCC[C@@H]32)CCN(c2nc(Cl)ncc2F)C1 1875405563 JSLJDORFWJZKRU-DRAKQNMHSA-N 352.841 2.790 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccn(C)c3)CC[C@@H]2C1 1875407571 CUTXJUNPDMSFJW-BQUOXIOCSA-N 357.498 2.818 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)COc2ccc3ccccc3c2)C1 888077461 CGNQOQAEBGSHHY-QZTJIDSGSA-N 351.406 2.930 0 50 FFAA Cn1c([C@H]2CCCN2C[C@H](O)COc2ccccc2)nc2c1CCCC2 275586816 GBDKDZIDSKZRTM-OXJNMPFZSA-N 355.482 2.876 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1nccc(N)n1)CC2 276235105 FDXGDJZWFPHIRN-INIZCTEOSA-N 371.510 2.524 0 50 FFAA CN(CCN(C)c1ccc2nnc(-c3ccccc3F)n2n1)CC(F)F 170619636 LWNLFNNXSBTTGX-UHFFFAOYSA-N 364.375 2.564 0 50 FFAA CCN1CCN(c2ccccc2NC(=O)N2CCC[C@H](COC)C2)CC1 172125862 BYFHILQQLKRLKJ-KRWDZBQOSA-N 360.502 2.719 0 50 FFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cnn2c1CCCC2 188791562 FWZYPIDUGSSSHL-UHFFFAOYSA-N 352.438 2.920 0 50 FFAA CS(=O)(=O)c1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)o1 411685517 BBPBMFLCAWWBQG-KRWDZBQOSA-N 369.870 2.828 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3O)CCO2)cn1 191805734 DLGUZEQNXUOHPR-OAHLLOKOSA-N 369.343 2.841 0 50 FFAA Cc1noc2ncnc(NC[C@@H](C)N3CCN(c4ccccc4)CC3)c12 195508769 DNLMGVFTVQHCDZ-CQSZACIVSA-N 352.442 2.549 0 50 FFAA Cn1nccc1C1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 195512757 IMJOFJGRAJCFCQ-QGZVFWFLSA-N 363.889 2.831 0 50 FFAA CN(C)c1ccnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 765653438 XHKSRPVKTDSMBD-CQSZACIVSA-N 350.369 2.722 0 50 FFAA Cc1ccc(N2CCNC2=O)cc1NC(=O)C(F)(F)c1nccs1 785950047 RFUFVSAJDVPBTN-UHFFFAOYSA-N 352.366 2.712 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@H]3CN(Cc4nccs4)C[C@H]32)cc1 207575944 BCJPEGOPETUDPG-SJORKVTESA-N 373.478 2.790 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC([C@@H](O)c2cccs2)CC1 1529094660 JEIDBYVXOBYRDE-HXUWFJFHSA-N 374.506 2.819 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)c(C)c1 1529101845 OJWJOXWHYKSNRO-RTWAWAEBSA-N 366.461 2.827 0 50 FFAA COCCNC(=O)/C(=C\c1ccc(C)cc1)NC(=O)c1ccc(C)cc1 5682314 COHULQPMLRFTKV-XMHGGMMESA-N 352.434 2.837 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCO[C@@H](CCc2ccccc2)C1 11932830 DIGJTODWFQODKH-FQEVSTJZSA-N 362.433 2.741 0 50 FFAA CC(C)N1CCC(NC(=O)COc2cccc(Br)c2)CC1 12382506 HSKHZOVGVATKHC-UHFFFAOYSA-N 355.276 2.817 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]c1C 15074457 VPKJQMSZEVOVKS-LJQANCHMSA-N 367.493 2.819 0 50 FFAA CC1=C(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)OCCO1 15075208 JOKIXTKHJHWHQB-KRWDZBQOSA-N 351.406 2.916 0 50 FFAA CCN1CCC[C@@H](n2ccnc2-c2ccc(OC)c(Cn3cncn3)c2)C1 1857672068 HSNNJPIBEPCBLX-GOSISDBHSA-N 366.469 2.855 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1c(Cl)cnn1C)CC2 1857674061 PLOKCFQPRMUFOC-UHFFFAOYSA-N 369.856 2.715 0 50 FFAA CO[C@@H]1CC[C@H](c2nc(-c3ccccn3)nn2Cc2ccccc2)C[C@H]1N 1857715968 PULSCXPAQSRNCQ-YQVWRLOYSA-N 363.465 2.998 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 237656399 CEOUBMJTXUWNGQ-OAHLLOKOSA-N 351.200 2.867 0 50 FFAA O=C(O)CCN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CCOCC1 238070685 NOZDHAGARZLPEM-GJZGRUSLSA-N 351.830 2.926 0 50 FFAA COc1cccc([C@@H](CO)NC(=O)c2ccn(-c3ccccc3Cl)n2)c1 771186748 NAANCRZKXNKAAY-QGZVFWFLSA-N 371.824 2.998 0 50 FFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N[C@H]1CCSC1 266786148 RVVIIOCOMWEBRF-LBPRGKRZSA-N 352.847 2.737 0 50 FFAA Cc1cnn(C2CCN(S(=O)(=O)c3ccc4nc(C)oc4c3)CC2)c1 2325739472 HXCKKIYJOYWTKZ-UHFFFAOYSA-N 360.439 2.667 0 50 FFAA Cc1c(-c2nc(C3(NC(=O)c4ccccc4)CCC3)no2)cnc2ccnn12 2325788974 XFVXTCVGDDENLZ-UHFFFAOYSA-N 374.404 2.897 0 50 FFAA O=C(C[C@H]1CCC(F)(F)C1)NCCc1ccc(N2CCNCC2)cc1 2325795429 FIMYSFLGIOEXJR-MRXNPFEDSA-N 351.441 2.580 0 50 FFAA C[C@H]1Cn2nc(C(=O)N(C)c3ccc(-c4nccs4)cc3)cc2CN1 2325796112 UPWARVOTFFOXGF-LBPRGKRZSA-N 353.451 2.775 0 50 FFAA CCn1c(CNC(=O)N(C)Cc2nc(C)c3ccccc3n2)cnc1C 2325811251 ISWOFGWCQMLNOH-UHFFFAOYSA-N 352.442 2.805 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(Br)c2F)CC1 2325885436 AYQBFITUOOHSGJ-UHFFFAOYSA-N 355.207 2.951 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC(c3ccc(OC)cc3)CC2)C1 2325888717 SRWMEKDAAIVIFF-SFHVURJKSA-N 356.466 2.826 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC[S@](=N)(=O)c3ccccc32)c1 2325888944 ULAAUCXDNMDOQQ-VWLOTQADSA-N 355.419 2.877 0 50 FFAA S=C(Nc1ccc2nsnc2c1)N1CCN(c2ccccn2)CC1 780627 OMKPCFGJLGRSJV-UHFFFAOYSA-N 356.480 2.605 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cc(Cl)ccc1Cl 793317 QOMQDMRTVHIZAR-UHFFFAOYSA-N 374.249 2.793 0 50 FFAA Cc1ccc(Cl)cc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O 893961 WZVOJFSDCVIPDP-UHFFFAOYSA-N 358.891 2.817 0 50 FFAA C[C@@H]1CCc2c(sc3ncn(CC(=O)NCc4ccccc4)c(=O)c23)C1 921245 DOEYTKPVIBHZSH-CYBMUJFWSA-N 367.474 2.899 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C 1111053 NRKZUYMZHPEWDF-OAHLLOKOSA-N 352.500 2.907 0 50 FFAA CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(C)cc2)n1 1162440 SNJNMUGOMVPSBV-UHFFFAOYSA-N 363.464 2.684 0 50 FFAA CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1 2522893 YNHWBTGNALQWOK-UHFFFAOYSA-N 358.402 2.625 0 50 FFAA CCn1ncc(C(=O)NC)c1NC(=O)c1ccc(-c2cccc(OC)c2)o1 2356165364 FDVNQHQYZXPWIM-UHFFFAOYSA-N 368.393 2.784 0 50 FFAA NC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 4721978 BFMSVLFRYQIOCZ-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 54302767 JVPPGCQNCMNFNS-MRXNPFEDSA-N 351.406 2.889 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N[C@H](C)c3nc(C)no3)nc2)n1 67894529 SFFIRACBOIHDMJ-SNVBAGLBSA-N 372.454 2.895 0 50 FFAA CN1CCN(c2nc3nccc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)CC1 22607578 AYVWFPRMHAERGN-UHFFFAOYSA-N 371.444 2.890 0 50 FFAA O=C1C[C@H](c2cccc3nsnc23)c2sc(N3CCCC3)nc2CN1 65410251 XNGWOSPORCUJGQ-LLVKDONJSA-N 371.491 2.900 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCCO[C@@H](C)C3)nc2)n1 67790790 VRUPOLFSPMMJBQ-ZDUSSCGKSA-N 360.483 2.646 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)CCC(=O)Nc1cccc(O)c1 65508515 KVRVJNOARPIMRA-UHFFFAOYSA-N 358.442 2.529 0 50 FFAA CN1CCCn2nc(C(=O)N3CCC[C@H]3CCc3ccccc3)cc2C1 65399265 SHUTUJMACUPLEG-SFHVURJKSA-N 352.482 2.956 0 50 FFAA C[C@H]1CN(C2CCC3(CC2)CCN(C(=O)c2ccno2)CC3)C[C@@H](C)O1 67515498 AQWTVDVOSQKWLI-IYBDPMFKSA-N 361.486 2.949 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1CCN(c2cnccn2)CC1 176030154 SUDXHOBWKRNIOC-UHFFFAOYSA-N 350.378 2.824 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@@H]1CC12CCOCC2 328626424 FBLYIRZUGPPLRI-ZOBUZTSGSA-N 366.502 2.936 0 50 FFAA CN(Cc1nccc(N)n1)[C@@H]1CCCN(Cc2cccc3cc[nH]c23)CC1 328629662 ILRCMHMEIRQSIY-GOSISDBHSA-N 364.497 3.027 0 50 FFAA CCn1c([C@H]2OCC[C@H]2C)nn(Cc2ncc(Cl)cc2Cl)c1=O 328633261 LXZCMTUUUGBDPY-RNCFNFMXSA-N 357.241 2.912 0 50 FFAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn2cccnc12 282735460 LNOCFGXAITWMLS-SFHVURJKSA-N 363.465 2.760 0 50 FFAA O=C(NC1CCN(C(=O)C2CC2)CC1)c1ncoc1-c1ccc(F)cc1 329944460 FFARDAHAHXGNFD-UHFFFAOYSA-N 357.385 2.612 0 50 FFAA Cc1cc(CO)oc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 283504160 RJSCTUCHEGOVHQ-UHFFFAOYSA-N 357.332 2.773 0 50 FFAA CCN(Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 77323692 VEMPBFHYHPMEQW-GOSISDBHSA-N 360.479 2.670 0 50 FFAA CNc1nc(C)c(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)s1 72127361 MUJOJDWYRMOXCD-KRWDZBQOSA-N 370.522 2.809 0 50 FFAA O=C1CSc2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)cc2N1 261657948 KJPKIKPTJFKACH-BPNCWPANSA-N 360.435 2.589 0 50 FFAA Cc1ccc(O)c(C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)c1 71759711 XHAFTDYLEFERSJ-UHFFFAOYSA-N 361.401 2.649 0 50 FFAA CC(C)c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc2ncnn12 216242745 HHSGRYJHIGWGHA-KRWDZBQOSA-N 369.400 2.601 0 50 FFAA NC(=O)C1(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)CC1 72154060 OMBGBDSDZXFNBX-HNNXBMFYSA-N 350.418 2.527 0 50 FFAA Cc1cc(C)c2[nH]c(=O)c(CN3CCC(c4nncn4C)CC3)cc2c1 216356667 SLMSMLUJPTVEMS-UHFFFAOYSA-N 351.454 2.653 0 50 FFAA C[C@H]1CN(CC(=O)N[C@H]2CCOc3ccccc32)c2ccccc2NC1=O 245492875 KJDFMODXVSKEBR-HOCLYGCPSA-N 365.433 2.721 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)NC3CCCCCC3)CC2)cc1 42995829 OEERWGDDBJXPFK-UHFFFAOYSA-N 359.470 2.885 0 50 FFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1CC(=O)c1cccs1 176203043 REVMNXBTKZCRLV-OLZOCXBDSA-N 350.484 2.863 0 50 FFAA CCc1nnc([C@H]2CN(Cc3cc(O)cc(C(F)(F)F)c3)CCO2)o1 291539703 LDVOFJDZYIRENV-CYBMUJFWSA-N 357.332 2.930 0 50 FFAA Cc1ccc(-n2c(C)nnc2SCC2=CC(=O)N3C=CS[C@@H]3N2)cc1 20394271 UXOOOYVRFKKCJO-MRXNPFEDSA-N 371.491 2.794 0 50 FFAA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 48482660 GKQBEGSYQJZZQO-CQSZACIVSA-N 356.474 2.630 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1CCCn1ccnc1 20539829 CHHLTFPJWYIJBT-QUCCMNQESA-N 370.472 2.925 0 50 FFAA CC1(C)CN(C(=O)c2cc3ncc(CCO)cn3n2)C[C@H]1c1ccccc1 426387221 GTFAXKTZNGPKDR-KRWDZBQOSA-N 364.449 2.530 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2cc(O)c(F)c(F)c2)cc1 426649576 ITDPKRSOVRHRJS-LLVKDONJSA-N 362.376 2.934 0 50 FFAA CCc1cc(CN(C)C(=O)Cc2cc(OC)c(OC)cc2C(C)=O)on1 220049866 DTRCXJLHXAUMAH-UHFFFAOYSA-N 360.410 2.658 0 50 FFAA COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 223845607 YFQROUPHHGPXIQ-RWWKDMOOSA-N 367.445 2.801 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)NCCc2nc(C(C)C)cs2)c1 426403443 DBIDQLLHKUFCMV-UHFFFAOYSA-N 360.483 2.919 0 50 FFAA c1ccc(Cn2ccnc2[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)cc1 82109064 ONQAVUSZPZWYHC-MRXNPFEDSA-N 359.437 2.982 0 50 FFAA CCCn1cc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c(C)n1 82092300 NPXWDFLUQOPCKJ-HNNXBMFYSA-N 354.454 2.787 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1CCCO 82170729 YJRYKJUGOVCUDJ-IBGZPJMESA-N 350.890 2.927 0 50 FFAA CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H]3CN(C)CCN3C)cc2)s1 426541178 ACHIXRVVSIXNEY-KRWDZBQOSA-N 371.506 2.593 0 50 FFAA Cc1cc2cc(CNC(=O)N3CCCC[C@@H]3CN3CCOCC3)ccc2[nH]1 426399415 MSTHYJVEGQBAFD-LJQANCHMSA-N 370.497 2.873 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1nc3c(s1)CCCC3)C2 91780982 XQVDVANKMATHJA-CYBMUJFWSA-N 358.463 2.898 0 50 FFAA Cn1cc(CN2CCC(CN3CCOCC3)CC2)c(-c2ccccc2)n1 179685135 NHUPYJPYJOVNEI-UHFFFAOYSA-N 354.498 2.631 0 50 FFAA O=C(NCc1noc([C@@H]2CCCO2)n1)Nc1ccnn1Cc1cccs1 95527625 QAXFTZQZBWXSIC-LBPRGKRZSA-N 374.426 2.549 0 50 FFAA Cc1nc([C@H](c2cccnc2)N2CCOCC2)n(CCc2ccccc2)n1 95520886 DTFHFNQDSUPDHK-FQEVSTJZSA-N 363.465 2.646 0 50 FFAA O=C(NCCCn1ccnc1)Nc1cc(N2CCOCC2)ccc1Cl 95516976 UVDNCZRENITTMW-UHFFFAOYSA-N 363.849 2.585 0 50 FFAA CCCCOC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 92064914 OZPNGFHGONPBRF-UHFFFAOYSA-N 362.474 2.594 0 50 FFAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)Cn3cccc(C)c3=O)nc2c1 180988948 KUWFFJDXUGMDBX-KRWDZBQOSA-N 350.422 2.705 0 50 FFAA CCc1ccc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)cc1 91620135 WAWORBPWALVCCQ-UHFFFAOYSA-N 373.453 2.570 0 50 FFAA CN(C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95378474 YCPYICUTXOCZSF-IBGZPJMESA-N 355.526 2.809 0 50 FFAA CCN1C[C@@H](C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)CC1=O 91390703 GQCVTEGEDSGYFF-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA CCOc1ncccc1CNC(=O)C1CCN(C(=O)C2CCCC2)CC1 95356715 QMIGQFHSCTUDLY-UHFFFAOYSA-N 359.470 2.525 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N[C@@H](C)CO)cc3o2)cc1OC 95521496 VKGPCYBRYOQHGF-LBPRGKRZSA-N 370.405 2.546 0 50 FFAA O=C(CCn1nnc2ccccc21)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252532885 FKNVNWBODLMLQN-JCGVRSQUSA-N 356.451 2.511 0 50 FFAA O=C1NC[C@@H](NCc2cc(F)ccc2F)n2nc(-c3ccc(F)cc3)cc21 263618380 SRFZBUQZWNCHIU-SFHVURJKSA-N 372.350 2.999 0 50 FFAA Cc1c(OCC(=O)Nc2ccc(Br)cc2F)c(=O)ccn1C 263588401 SZNUHSYUUVOYJX-UHFFFAOYSA-N 369.190 2.613 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2)[nH]1 299779188 QZXQBNWYBSOVRF-HNNXBMFYSA-N 365.441 2.921 0 50 FFAA Cc1nc(C(C)C)sc1CNC(=O)c1coc(CN2CCOCC2)c1 299794014 JPQNKKDGCJRWPB-UHFFFAOYSA-N 363.483 2.930 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)no1 299778832 OQADMRXKCYHRML-LBPRGKRZSA-N 354.414 2.962 0 50 FFAA CCCN1C[C@@H](NC(=O)C2(Nc3ccc(OC)cc3)CCCCC2)CC1=O 822919231 UOWRCSQXJVQEKA-KRWDZBQOSA-N 373.497 2.937 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)N1CCC(c2cc[nH]n2)CC1 584886520 PJTVRMILLWLTCN-UHFFFAOYSA-N 372.454 2.534 0 50 FFAA CCCn1ncnc1-c1ccc(C(=O)N(C)CCn2nc(C)cc2C)cc1 584892337 JZNDZBVZZOYOES-UHFFFAOYSA-N 366.469 2.941 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCCC[C@H]1CO 670473095 SMHKUJQVBYUPAC-AZRLCKCBSA-N 366.571 2.651 0 50 FFAA O=C(Nc1ccc([C@H]2CNCCO2)cc1)NC1([C@H]2CCCCO2)CCC1 868171811 UPPGPQHXOKPNGW-QZTJIDSGSA-N 359.470 2.961 0 50 FFAA C=CC(=O)NCCC1CCN(C(=O)C2(c3cccc(OC)c3)CC2)CC1 1875386396 PCMLKUWGTIPXOL-UHFFFAOYSA-N 356.466 2.658 0 50 FFAA CN(C(=O)[C@@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)C1CCNCC1 1875312342 LAJAWHZNFOMGMC-MRXNPFEDSA-N 370.522 2.939 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(-n2nccn2)cc1 1875334136 AMZJCEXEUTXKMS-GOSISDBHSA-N 354.435 2.542 0 50 FFAA CC(C)c1ccc(-n2cc(O)c(C(=O)N[C@@H]3CCNC34CCC4)n2)cc1 1875354626 YPQVRCLLBUQNFF-QGZVFWFLSA-N 354.454 2.716 0 50 FFAA Cc1nc(O)cc(N2C[C@H](NC(=O)[C@@H]3C[C@]3(C)C(C)C)CC3(CC3)C2)n1 1875407210 UYGPEYDZINIYCX-ZRGWGRIASA-N 358.486 2.648 0 50 FFAA Cn1cc(OC2(C(=O)NC[C@@H]3C[C@H](OC(C)(C)C)C34CCC4)CC2)cn1 1875404221 ABIIPYDCLJBRBG-HOCLYGCPSA-N 361.486 2.822 0 50 FFAA CNc1cncc(C(=O)N2C[C@@H](NC(=O)C3(C)CCC3)CC(C)(C)C2)c1 1875407342 XNLVNTVEYITPDI-INIZCTEOSA-N 358.486 2.670 0 50 FFAA C[C@H](NC(=O)CN=c1ccn(-c2ccccc2C(F)(F)F)[nH]1)C1CC1 1875266165 FIIIQQRMCRARLO-NSHDSACASA-N 352.360 2.640 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)nc(O)n1 952978854 LTPFQZSKFYJQQT-MRXNPFEDSA-N 358.442 2.541 0 50 FFAA COCc1ccc(CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cc1 886041069 MFPQJMCBIHRHJO-NRFANRHFSA-N 355.482 2.943 0 50 FFAA Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 888079017 WQFZFECSKJBNGK-IMJJTQAJSA-N 356.388 2.731 0 50 FFAA COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)O)cc(Cl)c1OC 272405071 KAMDWWBTXWJDNI-KTRBRXNASA-N 353.802 2.836 0 50 FFAA Cn1nnc2cc(C(=O)O[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)ccc21 170609345 NUDDAQJLVHCLRK-CZUORRHYSA-N 374.441 2.961 0 50 FFAA CN(C)C(=O)[C@@H](OC(=O)C(F)(F)C1(O)CCCCC1)c1ccccc1 225664251 PYSQNYPOMYYFIO-AWEZNQCLSA-N 355.381 2.690 0 50 FFAA COCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1C 225611277 RMPNCCPXADEYOY-UHFFFAOYSA-N 362.411 2.560 0 50 FFAA CC(C)n1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1 1529106440 PMIDFRSPLAFQNW-OXQOHEQNSA-N 364.449 3.000 0 50 FFAA COc1ccc(CNC(=O)CN2CCC3(C=C(C)CCO3)CC2)cc1OC 1704301206 OWSSZVFCPUYINN-UHFFFAOYSA-N 374.481 2.521 0 50 FFAA COc1cccc(C[C@H](C)N2CCC(=O)N(CCN3CCCCC3)CC2)c1 11970246 SLDDJDBYEMPTCM-IBGZPJMESA-N 373.541 2.646 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)c1C 12210227 FFARCHCYLZUOAQ-LJQANCHMSA-N 374.529 2.863 0 50 FFAA CCNC(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 12718307 FKMMAPQGNBFHSR-UHFFFAOYSA-N 356.470 2.645 0 50 FFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2ccco2)cc1 14974089 NFUHRWFZFUAMIB-KRWDZBQOSA-N 356.422 2.737 0 50 FFAA O=C(Nc1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 16392961 CYPNRBNDJVMTQV-UHFFFAOYSA-N 360.435 2.819 0 50 FFAA C[C@H]1CCCN(CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)C1 1857672722 YEMQCRDHVFGJDJ-KRWDZBQOSA-N 366.509 2.746 0 50 FFAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 213376295 HZBLYGDWLIXTEX-MOPGFXCFSA-N 364.445 2.836 0 50 FFAA COCC[C@@H]1CCCCN(S(=O)(=O)c2cc(OC)cc(OC)c2)C1 332243173 WFKUCCHEYCVBCE-AWEZNQCLSA-N 357.472 2.531 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN2CCCC2=O)cc1 237983467 BREKUPJPNOEFLC-BZSNNMDCSA-N 370.449 2.667 0 50 FFAA O=C(O)CCN(C(=O)c1ccc(Br)c(F)c1)C1CCOCC1 238074152 JCBAXIVUWJRTLR-UHFFFAOYSA-N 374.206 2.684 0 50 FFAA O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCCN1C(=O)c1cccs1 375293931 VSOZCXCDKOKPMT-HNNXBMFYSA-N 372.494 2.592 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@H](NCc3ccc(OC)cc3)C2=O)cc1 18285842 LULDJJPSEIZKPJ-IBGZPJMESA-N 368.433 2.906 0 50 FFAA CSc1cccc(S(=O)(=O)N2CCC(n3cc(C)cn3)CC2)c1 2325701889 FXFOELRJRJSLKJ-UHFFFAOYSA-N 351.497 2.939 0 50 FFAA CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C(=O)OCC)c1C 721759 UOPNPLXVIHOYFT-UHFFFAOYSA-N 353.318 2.911 0 50 FFAA COc1cc(OC)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC 808369 VCQXNHXZRZZKPC-UHFFFAOYSA-N 350.459 2.751 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)ccc1O 1213832 XAQSSORFCYRMCN-SFHVURJKSA-N 367.405 2.976 0 50 FFAA COc1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OC 2147559 KEZFUMOVSWHBGN-UHFFFAOYSA-N 356.422 2.644 0 50 FFAA Cc1cnn(-c2cc(N3CCC[C@]4(CCc5cnc(C)nc54)C3)ncn2)c1 2356140280 CDXROLBHEXMVOM-FQEVSTJZSA-N 361.453 2.554 0 50 FFAA CC(C)CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2975671 PAXKNQCYJHCETN-UHFFFAOYSA-N 353.271 2.532 0 50 FFAA C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccccc1 4557484 JYNFDLBSWDIVNR-CRAIPNDOSA-N 358.463 2.717 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2)CC1 9340760 ZOTXLDQFYFVIDL-UHFFFAOYSA-N 366.417 2.584 0 50 FFAA Cc1ccccc1COc1ccccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C 282143224 PABKBXXYIXFAGT-CRAIPNDOSA-N 352.434 2.971 0 50 FFAA CCn1ncc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1C 20916043 UFMIAFHYDFOVLY-QFIPXVFZSA-N 370.541 2.713 0 50 FFAA CCN(CC)C(=O)N1CCC(c2nc([C@@](C)(OC)C3CC3)no2)CC1 350434217 OUVODLSPBIVZKF-SFHVURJKSA-N 350.463 2.982 0 50 FFAA Cn1nc(CNC[C@]2(O)CCCN3CCCC[C@@H]32)cc1-c1ccccc1 63881581 COBZPCRLVMVEEB-NHCUHLMSSA-N 354.498 2.556 0 50 FFAA CCNC(=O)c1ccnc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)c1 67490509 RXXSDVHYEWBGDQ-UHFFFAOYSA-N 365.412 2.735 0 50 FFAA Cc1nnsc1C(=O)N(CCc1ccccc1)C[C@@H]1CCCN(C)C1 11934839 KTXCSYQKUQQNJY-QGZVFWFLSA-N 358.511 2.873 0 50 FFAA Cc1sc(=O)n(CC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1C 121426667 UQUYWJXHLUSSTG-GOSISDBHSA-N 371.437 2.967 0 50 FFAA O=C(Cc1ccncc1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67983560 YMALWYZHQAISMP-UHFFFAOYSA-N 361.401 2.813 0 50 FFAA Cc1c(C(=O)N2CCCC[C@H]2CCn2ccnc2)cnn1-c1ccccn1 65403798 XAMZWBBBXMTPAW-KRWDZBQOSA-N 364.453 2.857 0 50 FFAA Cn1cc(N2CCN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cn1 150977370 HYVXUYWIXOOWAL-KRWDZBQOSA-N 369.469 2.554 0 50 FFAA Cn1cc(-c2cncc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2)cn1 363506985 QBSCNMBLHFCCGX-UHFFFAOYSA-N 358.405 2.979 0 50 FFAA COCCCN(C(=O)NCCc1ccccc1F)C1CCN(C)CC1 72161100 UVFSKQJWIRVJBB-UHFFFAOYSA-N 351.466 2.511 0 50 FFAA Cn1c(CN2CCN(C3CCCCC3)[C@H](CCO)C2)nc2ccccc21 39400185 AAUQGLSUUQWXIG-GOSISDBHSA-N 356.514 2.775 0 50 FFAA O=C(OC[C@H]1CCCCN1C(=O)c1noc2c1CCCC2)N1CCCC1 367347753 MSVMPDZEMOXBSX-CQSZACIVSA-N 361.442 2.781 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)o1 39421026 YVPJQJQSUAEMQY-MRXNPFEDSA-N 350.484 2.556 0 50 FFAA CCCC(CCC)N1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72479461 PNBKDRMHRLUYCC-KRWDZBQOSA-N 363.550 2.796 0 50 FFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1 331972879 RWPVDEQJDJTNBK-MSOLQXFVSA-N 364.511 2.661 0 50 FFAA COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(C(N)=O)c[nH]4)CC3)c2c1 176158536 ZXAPJXOZQKMKSJ-UHFFFAOYSA-N 366.421 2.623 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 77407843 KJSIHUMMMCIGNY-KRWDZBQOSA-N 366.465 2.755 0 50 FFAA Cc1nc2c(c(N3CCC(c4nc(-c5ccccc5)no4)CC3)n1)CNC2 72163131 CKBOHXMPCCFYHM-UHFFFAOYSA-N 362.437 2.822 0 50 FFAA CCCOC[C@H]1CCN(c2nc(-c3ccccn3)nc3c2c(C)nn3C)C1 72409237 ISWADUVRNOOTRJ-HNNXBMFYSA-N 366.469 2.987 0 50 FFAA COCc1cc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)ccc1OC 221333967 BLEKHPMLSFNOFV-OAQYLSRUSA-N 371.481 2.887 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 176919852 SBSZTCJMILAVKS-LLVKDONJSA-N 359.253 2.549 0 50 FFAA CCNc1nc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cs1 176979580 NVXXRUDGWPJMEF-UHFFFAOYSA-N 374.514 2.759 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223169259 GVXDDVCJSLDVPD-UDKICSLYSA-N 370.493 2.542 0 50 FFAA N[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 178330982 XLJFYDXPVHYUDE-JTQLQIEISA-N 356.323 2.594 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCN(c2ccc(C)cc2)C[C@H]1C 82138678 XYDPZUCIHVNNHT-GOSISDBHSA-N 370.497 2.887 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82161125 BULYGCWOPDXNCE-HXUWFJFHSA-N 360.502 2.620 0 50 FFAA CCN(CC)C(=O)c1cc(C(=O)Nc2cc(C)nn2C2CCCC2)n(C)n1 20606132 UKBLULJKWLCPRT-UHFFFAOYSA-N 372.473 2.774 0 50 FFAA Cc1nn(-c2cccc(C(=O)N3CCSCC3)c2)c(=O)c2ccccc12 426361275 KYULBYOWKFXUOM-UHFFFAOYSA-N 365.458 2.883 0 50 FFAA CCC(CC)C(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1 82230690 BRUYDKQTBIESFU-UHFFFAOYSA-N 370.501 2.672 0 50 FFAA C[C@@]1(C(=O)N2CC[C@@H](n3cccn3)C2)CCCN(C(=O)c2ccccc2)C1 291229439 NZBVIMJGYRMOKK-WIYYLYMNSA-N 366.465 2.599 0 50 FFAA CCc1ncc(C(=O)N2CCCN(C(=O)OCc3ccccc3)CC2)cn1 97578867 RWCMBVDFGZMYLM-UHFFFAOYSA-N 368.437 2.524 0 50 FFAA COc1cccn(CC(=O)N2CCC(Sc3cccc(C)c3)CC2)c1=O 95505571 TZHBUQQEQUGWLH-UHFFFAOYSA-N 372.490 2.949 0 50 FFAA COc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1=O 426395889 ASFNNGMPOWTWJY-UHFFFAOYSA-N 362.433 2.730 0 50 FFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCC[C@@H](OCc2ccccn2)C1 91625717 SPEOVHLYFLMIBS-QGZVFWFLSA-N 366.421 2.741 0 50 FFAA COCC[C@@]1(CO)CCCN(Cc2cc(Cl)cc(OC)c2OC)C1 91505104 MBJLLCLNJWOEHM-SFHVURJKSA-N 357.878 2.968 0 50 FFAA CCOc1ccc(CN2CCCN(C)C3(CCNCC3)C2)cc1Cl 97756485 ZPZBWSWDJPRUCH-UHFFFAOYSA-N 351.922 2.998 0 50 FFAA Cc1cc2cc(C(=O)NCc3csc(N4CCOCC4)n3)ccc2o1 91932095 DCOPFLWJAGRZIG-UHFFFAOYSA-N 357.435 2.964 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(Cc1cc(C3CC3)on1)C2 91486737 NZOOUIPVPBCSNL-FQEVSTJZSA-N 359.470 2.546 0 50 FFAA c1ccc(-c2cc3c(N4CCN(c5ncccn5)CC4)nccn3n2)cc1 263616748 KIHZUUHUEGPGPU-UHFFFAOYSA-N 357.421 2.513 0 50 FFAA Cn1ncc2ncc(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)cc21 1940196231 UADFVEYGWVJXBC-VQIMIIECSA-N 350.422 2.836 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(C)cc2)CN1Cc1ccc(F)cc1 299768126 JDRVZITUSBEGTE-MOPGFXCFSA-N 370.424 2.680 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 299774982 ITJQFWGZMWZZSG-OAHLLOKOSA-N 365.905 2.590 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)N(CCCO)Cc2ccc(Cl)cc2)CC1=O 828753668 PXDAHIUQQTWBMV-OAHLLOKOSA-N 366.889 2.698 0 50 FFAA CCOc1ncccc1C(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 823405578 GIZJEANDVHQWBW-UHFFFAOYSA-N 372.450 2.780 0 50 FFAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1cc(O)c2cccc(F)c2n1 828139629 ACCQXJIUOSPCAX-UHFFFAOYSA-N 352.325 2.591 0 50 FFAA COc1cc(C(=O)NC[C@H]2CCCN(Cc3cccc(F)c3)C2)ccn1 824852242 YJRQDNDOTRCJMM-MRXNPFEDSA-N 357.429 2.871 0 50 FFAA Cc1nccn1Cc1ccccc1NC(=O)c1cnc2sccn2c1=O 828202287 AEQZLWUZMOBIFU-UHFFFAOYSA-N 365.418 2.562 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCCN1CCC[C@@H](O)C1 670437129 OKLXDUZCKHODHE-ZCYBBYNQSA-N 366.571 2.651 0 50 FFAA Cc1ccc2c(c1)N(C)CCN2C(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1875404762 UCMCXWLGFDXBNQ-KGLIPLIRSA-N 354.454 2.847 0 50 FFAA COC(=O)c1cc2c(-c3ccc(N4CC[C@@H](O)C4)nc3)c(N)ccc2s1 1875283296 MSTRHLQDHOTZMR-GFCCVEGCSA-N 369.446 2.903 0 50 FFAA CN(C)c1nc2ccc(C(=O)N3C[C@H](O)C[C@H]3c3ccccc3)cc2[nH]1 1875294468 SPFBEGRRDYXMRX-QAPCUYQASA-N 350.422 2.577 0 50 FFAA C[C@@H](CCC(=O)Nc1cc(Cl)ccc1N(C)C)N1CCN(C)CC1 952978421 CGQUPRCDAQUEKF-AWEZNQCLSA-N 352.910 2.761 0 50 FFAA Cc1oc2ccccc2c1CNC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 886065665 OEZVSRBLFSLRTG-VBKZILBWSA-N 352.438 2.784 0 50 FFAA O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ncoc1-c1ccc(F)cc1 185922208 CJIZGGWDRVZGEJ-AWEZNQCLSA-N 372.377 2.739 0 50 FFAA COCC(=O)N1CCc2cc(NC(=O)c3cc(F)c(F)cc3F)ccc21 186338199 SSAFPHUCHKVEOY-UHFFFAOYSA-N 364.323 2.892 0 50 FFAA O=C(c1cccnc1N1CCCC1)N1CC[C@H](OCc2ccncc2)C1 172248171 VJOBYVCJZISJRJ-KRWDZBQOSA-N 352.438 2.508 0 50 FFAA O=C(c1nnc2n1CCCCC2)N1CCC([C@H](O)c2cccs2)CC1 1506424229 IAUCSXMAPAWREC-INIZCTEOSA-N 360.483 2.652 0 50 FFAA CCOc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1OCC 1529158513 FPIAOUJNUAVIDU-QZTJIDSGSA-N 370.449 2.867 0 50 FFAA O=C(CN1CCC([C@H](O)c2cccs2)CC1)N1CCOc2ccccc21 1529185923 SUMCHNIYXIYHJX-FQEVSTJZSA-N 372.490 2.919 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3ncc(C)[nH]3)CC1)OCC2 1704338418 UJKHADKNGCLKMT-UHFFFAOYSA-N 357.454 2.799 0 50 FFAA COc1cccc2c1C1(CCN(c3ncccc3C(=O)O)CC1)OCC2 1704326384 BDORKVXCMRCWGZ-UHFFFAOYSA-N 354.406 2.857 0 50 FFAA COc1cc(-c2onc(N(C)CCN3CCCC3)c2C(=O)O)ccc1F 1704325337 LVYIWYRBWMODIC-UHFFFAOYSA-N 363.389 2.720 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C2(O)CC2)CC1 1772806311 CNSBRUDJHASDEX-UHFFFAOYSA-N 373.902 2.973 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@](O)(CNC3CCCCC3)C2=O)c1 11839369 WHXNNFKEXBADFX-HXUWFJFHSA-N 364.461 2.610 0 50 FFAA O=C(/C=C/c1ccncc1)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 11841490 IEGWGHOBNWLWQK-LAQIPUCWSA-N 358.401 2.672 0 50 FFAA COc1ccc(CC2=NO[C@H](CNC(=O)COc3ccc(C)cc3)C2)cc1 12052360 PKPVMCJHKARGTI-FQEVSTJZSA-N 368.433 2.886 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(C(=O)Cn2ccnc2)CC3)c1 12151518 RUZSBPQIJWRKOR-GOSISDBHSA-N 366.465 2.767 0 50 FFAA CC[C@H](C)C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 12167421 IJLGHXQSHGHOMJ-SMDDNHRTSA-N 359.401 2.757 0 50 FFAA CC(C)CC(=O)C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12385616 SSZWNLGZMGQBAG-QGZVFWFLSA-N 352.434 2.672 0 50 FFAA CSc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC(C)CC1 16647567 ACWCSQFVDGYLFR-UHFFFAOYSA-N 368.524 2.721 0 50 FFAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NCc1ncc[nH]1 19836204 FBKJEIUBFRYCLO-UHFFFAOYSA-N 353.426 2.607 0 50 FFAA O=C(c1cccnc1)N1CCC2(CC1)NC(c1ccc(Cl)cc1)=NO2 169754935 GVIGKOSQOUVUEY-UHFFFAOYSA-N 356.813 2.649 0 50 FFAA CCN(CCO)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857667949 MGUNPZCWNDDEKT-CYBMUJFWSA-N 365.861 2.929 0 50 FFAA CCCc1nc(C)cc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1 1857730310 QIIQRQSPEKZRFI-RTBURBONSA-N 352.482 3.000 0 50 FFAA c1ccc(-c2nc([C@@H]3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1 1857731899 SNKCQCBKHWYKNI-MRXNPFEDSA-N 359.437 2.837 0 50 FFAA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(O)c2)NC(=O)N1 844394 UVGPLMAJAGVRNA-GOSISDBHSA-N 352.390 2.806 0 50 FFAA Cc1ccc(CS(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c(F)c1 331999382 XWUXEMVPDPYMMA-AEFFLSMTSA-N 367.417 2.911 0 50 FFAA CNC[C@H]1CCCN(C(=O)c2cccnc2Nc2ccccc2OC)C1 237063188 GYFDZXIWLNHOBJ-OAHLLOKOSA-N 354.454 2.905 0 50 FFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 4482391 KCIINFACNAWPHJ-UABRLCRWSA-N 360.410 2.841 0 50 FFAA FC(F)O[C@H]1CCC[C@H](N=c2ccc3nnc(C(F)(F)F)n3[nH]2)C1 2325750679 XCZUMUYDRYMESL-YUMQZZPRSA-N 351.279 2.527 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1 2325754292 YYQJMBQROASBHY-CIMSTHCTSA-N 358.570 2.986 0 50 FFAA Cc1[nH]c(=N)[nH]c(=NCCc2c[nH]c3cccc(Br)c23)c1C 2325857632 JMPMKRFFBRRNEN-UHFFFAOYSA-N 360.259 2.826 0 50 FFAA C[S@@](=O)c1ccccc1C(=O)NCc1sncc1Br 2325868766 JQYYKZMMNUGNHF-LJQANCHMSA-N 359.270 2.573 0 50 FFAA CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 784756 UKNVGUMYYMRIIO-MRXNPFEDSA-N 368.433 2.763 0 50 FFAA Cc1cc(C)cc(N(CC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 1118373 JFLBRYPXISIHHN-UHFFFAOYSA-N 368.405 2.986 0 50 FFAA CSc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1 1122377 STFQKHHQWFDSLC-UHFFFAOYSA-N 368.455 2.807 0 50 FFAA CC(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 1146001 YVRRMDXWDVQHNO-UHFFFAOYSA-N 372.446 2.983 0 50 FFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl 2070928 PSGBEMMRKDJSMA-OAHLLOKOSA-N 352.818 2.890 0 50 FFAA COc1ccc(C)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=N 2955130 NYSWVYBRYNNWAT-UHFFFAOYSA-N 353.378 2.677 0 50 FFAA aggregator COc1ccc(NC(=O)c2nnn(-c3ccccc3OC)c2C)c(OC)c1 4316299 POJRKTHHEIQLPK-UHFFFAOYSA-N 368.393 2.854 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl 4845414 GGNGDIDBECQPGP-ZDUSSCGKSA-N 359.209 2.811 0 50 FFAA CSCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55211830 ITPJIVDLWIOCDI-QGZVFWFLSA-N 367.946 2.816 0 50 FFAA C[C@H](N)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC2CCCCC2)cc1 415103580 CNBDIUYDSMLSQK-INIZCTEOSA-N 374.529 2.615 0 50 FFAA Cc1c(CN[C@@H](C)c2cn3ccsc3n2)c2ccccc2n1CC(N)=O 55575466 IRAWPUMAOMBMRT-LBPRGKRZSA-N 367.478 2.995 0 50 FFAA CCc1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1 9341630 UUGAQMKKGVLAIA-UHFFFAOYSA-N 362.430 2.731 0 50 FFAA CC1(C)[C@]2(C(=O)NCc3ccccc3-n3ccnc3)CC[C@@]1(C)OC2=O 67833831 GILUVINSIJDKIO-UXHICEINSA-N 353.422 2.610 0 50 FFAA O=C1C[C@@H](c2cccc(Cn3cccn3)c2)c2c(nc3sccn23)CN1 65410218 LKUYVLJNIIMWSJ-HNNXBMFYSA-N 363.446 2.792 0 50 FFAA Cc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c(C)c1 67604169 KOMFQLUSOABZSZ-UHFFFAOYSA-N 368.485 2.822 0 50 FFAA O=C(COc1cccnc1)NCc1cccnc1-n1cnc2ccccc21 67946957 UDECLZPBSUGMIU-UHFFFAOYSA-N 359.389 2.511 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@@]1(c2ccc(F)cc2)CCOC1 65372227 ZGLKCYCZBDQFEE-FQEVSTJZSA-N 359.445 2.583 0 50 FFAA C[C@@H](C(=O)NCc1cccnc1N(C)CCc1ccccn1)n1cccc1 67726037 DJMLJVRKMVXXQF-KRWDZBQOSA-N 363.465 2.834 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 229621619 RAIZXCWDKDXSIR-CRAIPNDOSA-N 363.461 2.980 0 50 FFAA COCC(C)(C)NC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67726074 RNADKYIAOLBNMY-NRFANRHFSA-N 362.514 2.678 0 50 FFAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)c2cscc2C)c(C)[nH]1 252551881 UIZFKPAXXUOPRN-QGZVFWFLSA-N 361.511 2.974 0 50 FFAA Cc1nc(C)c(CCNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)s1 122514348 QPSRJRYZHRSWML-INIZCTEOSA-N 361.467 2.791 0 50 FFAA Cc1cc(C(=O)N(C)CCCN(C)Cc2ccncc2)nn1C(C)(C)C 328591911 UCMNEVZCRCSTIM-UHFFFAOYSA-N 357.502 2.936 0 50 FFAA CN(Cc1ncc(Cl)n1C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328638197 PBJUEWBAEMRWIT-SNVBAGLBSA-N 361.799 2.983 0 50 FFAA O=C(C1c2ccccc2-c2ccccc21)N1CC[C@H]2NCCC[C@]2(CO)C1 72121889 ZYPQWTGMFXZGBS-NFBKMPQASA-N 362.473 2.762 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2 218914649 IXAYBMHEFPUCMY-MRXNPFEDSA-N 373.844 2.674 0 50 FFAA CC1(C)CC[C@@H](CC(=O)NS(=O)(=O)c2cnccn2)c2ccccc21 152508695 JAHYJQWVXFFAMS-ZDUSSCGKSA-N 359.451 2.527 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 363523520 OVCFLLKYQGDMGZ-MRXNPFEDSA-N 371.824 2.691 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCc2ccccc2[C@@H]1CO 332950194 XKXXJAHWKSJTHK-FPOVZHCZSA-N 365.477 2.562 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(CCOc2ccccc2)CC1 72454219 ADQBTMPWKZZTEV-UHFFFAOYSA-N 362.905 2.833 0 50 FFAA O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1NCCc2[nH]cnc21 72453550 ZCXIHERUNLUBAX-QGZVFWFLSA-N 356.813 2.826 0 50 FFAA O=C(O)C[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccccc1 237996996 WPWPFBXXHKMJFL-KRWDZBQOSA-N 370.380 2.898 0 50 FFAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O 241383292 MTZZAIZMEOLMDX-STXHMFSFSA-N 357.454 2.633 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1cccc(C)n1)CC2 262897246 ZPGFKPHGUFINFC-INIZCTEOSA-N 370.405 2.622 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 17075898 QJYMVHPWVBCBQO-GNNGFNCTSA-N 370.449 2.998 0 50 FFAA CC(C)Cc1ccc(CN2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1 82138273 ROECJKYSRYZHQV-UHFFFAOYSA-N 369.513 2.869 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)Cn2cnc3ccsc3c2=O)no1 426602559 UNRWRMXTXRABDI-CQSZACIVSA-N 372.450 2.933 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1=O 82120032 GDNKCFHDQNXJEF-UHFFFAOYSA-N 368.433 2.971 0 50 FFAA O=C(COCc1nc2ccccc2[nH]1)N1CCC(Cc2cccnc2)CC1 426371218 WNFHLIVLWWJMNI-UHFFFAOYSA-N 364.449 2.956 0 50 FFAA CCOc1ccccc1NC(=O)N1CCN(c2ccccc2OC)C(=O)C1 426430740 NIFHECXLDYIDKS-UHFFFAOYSA-N 369.421 2.975 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)NCCCn2ncc3ccccc32)C1 426534499 RVHPWGSSGSCSHM-MRXNPFEDSA-N 355.486 2.695 0 50 FFAA Cc1ccc([C@@H](C)CCN2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)o1 91987279 NETADYZUPXZLBA-HNNXBMFYSA-N 362.470 2.871 0 50 FFAA CCC[C@@H](NC(=O)c1ccc(C)c(N2CCNC2=O)c1)c1nccn1C 91320103 IZVAVRIGFWXKSQ-OAHLLOKOSA-N 355.442 2.529 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)Nc3nnc(C(F)F)s3)ccc21 294929017 CUUREAHHAGXYJH-UHFFFAOYSA-N 359.379 2.796 0 50 FFAA COCc1noc([C@@H](C)N2CCN(Cc3ccc(F)cc3Cl)CC2)n1 181524493 XDAQIVDZRALLFE-GFCCVEGCSA-N 368.840 2.887 0 50 FFAA Cc1nccn1CCCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 95353944 IJBHNGCBRMUFFR-UHFFFAOYSA-N 360.889 2.970 0 50 FFAA COc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1Cn1cncn1 97574990 YNVTYDRZMCVTFH-UHFFFAOYSA-N 368.485 2.988 0 50 FFAA CC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCCC2)CC1 95382442 KBAVHHQWUIYYJP-UHFFFAOYSA-N 364.515 2.707 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@H](c2nncn2C)C1 91915232 KCSCRZUCLFLOCY-CYBMUJFWSA-N 355.417 2.693 0 50 FFAA CCc1cc(C(=O)N2CCc3nnc(Cc4cccnc4)n3CC2)cs1 91434042 IVKIXNZPCDLDLQ-UHFFFAOYSA-N 367.478 2.586 0 50 FFAA Nc1nnc(C2(NC(=O)[C@H]3COc4ccccc4C3)CCCCC2)s1 244763946 OYHZAUHITQVRLH-CYBMUJFWSA-N 358.467 2.647 0 50 FFAA CCc1noc(C)c1C(=O)N[C@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H](O)C1 244872900 WGPQUHNHXRGGMM-FHSNZYRGSA-N 362.401 2.935 0 50 FFAA COc1ccccc1CCC(=O)N1CCN(Cc2ncccc2C)CC1 244716169 LJSGTIHTEMDHRZ-UHFFFAOYSA-N 353.466 2.676 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(CCN3CCN(Cc4ccccc4)CC3)C2)n1 244828583 TYVIYZJNUBKAKU-JOCHJYFZSA-N 367.541 2.565 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)NCc1csc2c1CCCC2 534675410 WUXYZGYQCZGTTI-UHFFFAOYSA-N 362.499 2.719 0 50 FFAA Cc1cc(C)c(OCCNC(=O)N2CCN(c3ccncc3)CC2)c(C)c1 534648714 MYPUHLRTILUOSJ-UHFFFAOYSA-N 368.481 2.917 0 50 FFAA Cc1cc(C(=O)NCc2noc(-c3cccs3)n2)c2c(C)nn(C)c2n1 554786244 YBPNMIZLHUFWLL-UHFFFAOYSA-N 368.422 2.627 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 67675361 GTHRNTVDWDYYAP-FQEVSTJZSA-N 366.465 2.806 0 50 FFAA Nc1nc2c(c(C(=O)N3CCC(Oc4ccccc4F)CC3)n1)CCCC2 299771666 VHTZKGAZARVCBF-UHFFFAOYSA-N 370.428 2.760 0 50 FFAA Cc1nn(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c(C)c1Cl 299799533 RVVRTWLFMBYLGS-MRXNPFEDSA-N 362.861 2.756 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC(Oc3cccnc3)CC2)o1 670455786 QMPPPJLPUALDQI-UHFFFAOYSA-N 371.466 2.998 0 50 FFAA CC(C)C[N@]1C[C@H]1COc1ccc(CCO)cc1-n1nc2ccccc2n1 1875385336 RAHRHNPBQIMEBD-BXKMTCNYSA-N 366.465 2.674 0 50 FFAA CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cc(C)co1 1875357125 ZKVATIALYIKMSK-CQSZACIVSA-N 351.424 2.829 0 50 FFAA O=C([C@@H]1CC[C@H]2C[C@@H]2C1)N1CCC[C@@H]1Cn1cc(-c2cccnc2)nn1 1875338659 GMVBVSZJFPEONV-BURFUSLBSA-N 351.454 2.767 0 50 FFAA O=C(c1ccccc1Nc1ccc(F)cc1)N1CCN([C@H]2CCNC2)CC1 952845931 NJHIXZJIKUZSCL-SFHVURJKSA-N 368.456 2.689 0 50 FFAA COc1ccc([C@H]2[C@@H](COC(=O)c3ccn4ncnc4c3)CCN2C)cc1 1875277756 CQCOSSFDVYFURO-APWZRJJASA-N 366.421 2.588 0 50 FFAA Cc1ccc(N2C[C@H](NC(=O)C3(N4CCCC4)CCCC3)CC2=O)cc1 952869181 YFZPWUDLHYIOGS-QGZVFWFLSA-N 355.482 2.625 0 50 FFAA CCOc1c(Cl)cc(-c2noc([C@H]3OCC[C@H]3CN)n2)cc1OC 888078378 MPBJYQIHZKVTSV-ZANVPECISA-N 353.806 2.834 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCC[C@@H]1CO 170055508 VAHHJHKMHPSRDU-ZIAGYGMSSA-N 370.478 2.827 0 50 FFAA CC(C)c1nnc(S)n1CCNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 170645269 SMQRHOMMWWXGON-JKSUJKDBSA-N 374.510 2.974 0 50 FFAA CN(Cc1cnccn1)C(=O)NCC1CCN(Cc2cccs2)CC1 172283495 ZEZFRPVWYHZYAN-UHFFFAOYSA-N 359.499 2.592 0 50 FFAA C[C@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)C[C@@H]1C 222134965 JQVWJKPHDILHLR-XLPNERPQSA-N 363.477 2.546 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 192411110 OPZKSOJJTZJFHG-PELKAZGASA-N 357.193 2.714 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)NC[C@@H]3Cc4ccccc43)ccc2N1 193980370 YNXIFUCMZGPQTC-HNNXBMFYSA-N 356.447 2.580 0 50 FFAA COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1529133735 WIWAOICQJSMCMH-MBNYWOFBSA-N 350.846 2.678 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 210408077 KZFOGTSFXVARDG-QAPCUYQASA-N 357.381 2.603 0 50 FFAA OC[C@]12CCOC[C@H]1CN(C1CCN(c3cccc(Cl)c3)CC1)C2 1772703847 QMHYPIJMMNLXMS-DNVCBOLYSA-N 350.890 2.640 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)no1 11996672 YVPGYTSKHQOQAL-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)NCc1ccc(F)cc1F 12184593 QBZFKSBWIDZDBK-LJQANCHMSA-N 362.376 2.846 0 50 FFAA O=C1CCC(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)=NN1 12442726 YJDZPEAJMGFSBD-OAQYLSRUSA-N 374.529 2.537 0 50 FFAA c1cnn(CCCN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c1 12574235 DDUSMCHJCHHZCC-UHFFFAOYSA-N 352.394 2.715 0 50 FFAA CC[C@H](COC)Nc1ncnc2sc(C(=O)N(C)CCOC)c(C)c12 15000553 VYVFDASCOPKVBH-GFCCVEGCSA-N 366.487 2.555 0 50 FFAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1cccs1)N1CCOCC1 15017227 ZCBLFLABFHEDIL-IEBWSBKVSA-N 356.447 2.847 0 50 FFAA C[C@H](O)c1cn(C2CCN(C3CCN(c4ccccc4F)CC3)CC2)nn1 19223030 LTBIJVDIWJTHSP-HNNXBMFYSA-N 373.476 2.776 0 50 FFAA CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 169804622 YELVIGDJVYDDQK-GDBMZVCRSA-N 361.442 2.611 0 50 FFAA CN(C)CCCNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 4497971 DQGRCCVCDBGRIF-XDJHFCHBSA-N 369.440 2.665 0 50 FFAA CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 237209668 FBBOEIAKWFQLEE-JTQLQIEISA-N 370.824 2.979 0 50 FFAA CNC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 237206053 DCTNTYVZSYMRSZ-JTQLQIEISA-N 370.824 2.979 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(Cl)ccc3F)C1)CC2 1704300703 USHWWURMUQWNNS-SFHVURJKSA-N 360.820 2.972 0 50 FFAA Cc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 2341916 YRVWQJWJROTQQD-UHFFFAOYSA-N 368.509 2.617 0 50 FFAA COC(=O)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 4625370 RAZFTAQRNQNCRG-INIZCTEOSA-N 356.403 2.950 0 50 FFAA Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C(F)(F)C(F)(F)[C@@]3(Cl)C2)cn1 2325762148 BSBPBATUPZXOJJ-JOYOIKCWSA-N 353.747 2.647 0 50 FFAA O=C(c1cc2ccnc(Cl)c2[nH]1)N1CCN[C@H](Cc2ccccc2)C1 2325797955 BMHHCQRZMHUGNU-OAHLLOKOSA-N 354.841 2.873 0 50 FFAA CC(C)c1nccc(C2CCN(C(=O)C3=CNC4=NCCCC4=C3)CC2)n1 2325806492 ZXDKHVXZHSCMII-UHFFFAOYSA-N 365.481 2.912 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@@H](CNC(=O)Cc2cc(C3CC3)on2)C1 2325867828 GSXYTAXVSQQVRS-RRCSTGOVSA-N 359.470 2.542 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OC)c(OC)c2)c1 994241 PLIWKJLSVQUEJV-UHFFFAOYSA-N 373.361 2.529 0 50 FFAA biogenic CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 1119568 FNISHHOHONCIEE-SFHVURJKSA-N 354.406 2.851 0 50 FFAA O=C1CC[C@H](N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)CCN1 2356141495 DVKVEXBXWAIKQP-HNNXBMFYSA-N 353.466 2.700 0 50 FFAA CC(C)N1CCO[C@H](C(=O)N(C)Cc2cc(Br)ccc2F)C1 225705653 ANFPHHUFVAHISS-HNNXBMFYSA-N 373.266 2.656 0 50 FFAA CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2cc(C)sc2n1 8607303 OYDFRTJBKSUNFC-UHFFFAOYSA-N 371.418 2.770 0 50 FFAA CC(C)n1cnnc1[C@@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1 118860684 YQYLCNJEHQIXHD-CYBMUJFWSA-N 363.412 2.955 0 50 FFAA O=C1CN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H]2CCCC[C@H]2N1 247658743 XNMWVGJLBZQJEU-HLNWXESRSA-N 371.481 2.607 0 50 FFAA CCC[C@H](C)C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccccc2)CC1 67966490 ZJKMYHWYERWOPK-INIZCTEOSA-N 370.497 2.772 0 50 FFAA O=Cc1cc(I)cc(I)c1 22004948 WBPOINHGBSDFDZ-UHFFFAOYSA-N 357.916 2.708 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)c1cc(C(F)(F)F)n[nH]1 20993518 OUCDDIQXQHVOGK-LBPRGKRZSA-N 370.350 2.962 0 50 FFAA Cc1cccc([C@@H](O)CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 121710334 HXKKSPDCKGEZFS-PMACEKPBSA-N 366.461 2.840 0 50 FFAA CC[C@@H](C(=O)N1CCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 65364495 RUUVJYQCOREIOL-AWEZNQCLSA-N 362.854 2.646 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 328623932 CDXXFBPKXXTRGV-HZPDHXFCSA-N 363.527 2.915 0 50 FFAA CN(C[C@@H]1CCCCO1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 67739966 LELJPVIDPKPXDV-AWEZNQCLSA-N 374.393 2.623 0 50 FFAA NC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 2764900 CVKGOOWWXSDTRO-UHFFFAOYSA-N 352.316 2.517 0 50 FFAA Cn1cc(CNC(=S)Nc2cnn(Cc3cccc(Cl)c3)c2)cn1 2802626 WOMCCPNRXXEMHV-UHFFFAOYSA-N 360.874 2.805 0 50 FFAA CCc1nc(N)sc1C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 72429290 QCPVNUILDGZSLV-UHFFFAOYSA-N 359.430 2.885 0 50 FFAA Cc1csc(NC2CCN(C(=O)c3ccc4nc(O)n(C)c4c3)CC2)n1 329950435 HUGBRHAACZHMKV-UHFFFAOYSA-N 371.466 2.761 0 50 FFAA COc1ccc(NC(=S)N2CCN(c3cccc(O)c3)CC2)cc1OC 6398548 YUZCBRHRWHPNEK-UHFFFAOYSA-N 373.478 2.928 0 50 FFAA C[C@H]1C[C@H](NS(=O)(=O)c2sccc2Br)c2nccn21 333023982 AFAKMKKRMXXOIO-CBAPKCEASA-N 362.274 2.691 0 50 FFAA CN1C(=O)[C@]2(CCCN(C(=O)c3cn4ccsc4n3)C2)c2ccccc21 72135592 IDQRWEDUMSYPNO-IBGZPJMESA-N 366.446 2.546 0 50 FFAA CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC(O)(C(F)F)CC2)cc1 331203676 ZWDZQBGTAUTFHP-UHFFFAOYSA-N 368.424 2.581 0 50 FFAA CN1CCC(C2CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)CC1 72159103 QEEXSYBVIYMQGY-FQEVSTJZSA-N 373.545 2.621 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N(Cc1ccsc1)C[C@H]1CCCO1 215933137 MRZWRWPARCCSIA-QGZVFWFLSA-N 369.450 2.545 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CCn1c(=O)[nH]c2ccccc21 216300701 BIQKZOSRUNOGDS-MRXNPFEDSA-N 354.410 2.688 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72427398 DWFFCCZCMJJZAX-UHFFFAOYSA-N 368.412 2.660 0 50 FFAA Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C)c4c3CCC4)CC2)n1 333541783 LESMCXBGOHUKRT-CQSZACIVSA-N 354.454 2.694 0 50 FFAA CCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cccs1)CC2 72477429 VYUQITPEDRIXIV-UHFFFAOYSA-N 356.495 2.942 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)CN(C)Cc3cccnc3)C2)c1 77456407 YCDMPUBMTFLSSA-KRWDZBQOSA-N 369.465 2.547 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)cc2)n1 237745699 IERWBAYNEFRYMF-JYJNAYRXSA-N 355.394 2.903 0 50 FFAA O=C(NCCOc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 72437633 JABQGZIBHVFLFA-UHFFFAOYSA-N 360.841 2.985 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CCNC(=O)C[C@H]2C)c1 371047862 FRGGIWHUEXQPMZ-CQSZACIVSA-N 353.422 2.789 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1cc(C)nc3onc(C)c13)C2 215413510 PXGXIAAJNFLILO-ZDUSSCGKSA-N 367.405 2.829 0 50 FFAA CCOc1cc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1OC 124921564 UNDNCLVUZMIQOT-JXFKEZNVSA-N 362.470 2.931 0 50 FFAA O=C(C1CCCCCC1)N1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 72429413 XIZTVEHRELOLAP-SFHVURJKSA-N 372.513 2.990 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCCc1nc3ccc(F)cc3[nH]1)C(=O)CCC2 218873806 HRKHASMGIPXDMO-UHFFFAOYSA-N 354.385 2.830 0 50 FFAA Cc1nc2cc(CNC(=O)CCc3ccc4c(c3)OCO4)ccc2n1C 215434652 BGFKHMIJCZZROI-UHFFFAOYSA-N 351.406 2.859 0 50 FFAA C[C@@H]1C[C@@H](NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCN1 262891033 ORCYHYMVQADGAT-QAPCUYQASA-N 372.490 2.531 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(c3ncnc4[nH]ccc34)CC2)cc1 72407540 SOSAOGOOKYRDEH-UHFFFAOYSA-N 352.394 2.769 0 50 FFAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCCN3CCOCC3)[nH]c2c1 77356103 CPZHFMYXILWKQW-GOSISDBHSA-N 356.470 2.647 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@H](Cn4cncn4)C3)c2c1 175070390 JQVTWLHZZLSVNW-INIZCTEOSA-N 351.454 2.939 0 50 FFAA C[C@@H](C(=O)N1CCCN(c2cccnn2)CC1)[C@H]1OCCc2sccc21 292690838 GVBPZGABEWFKHI-RDTXWAMCSA-N 372.494 2.527 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC(=O)N(c2ccccc2Cl)C[C@@H]1C 82098274 RTOPOMVWZVWPOK-LBPRGKRZSA-N 374.872 2.876 0 50 FFAA CNC[C@H]1CCN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)C1 179014909 LZUYLFXUCGWFCC-QGZVFWFLSA-N 353.466 2.959 0 50 FFAA CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1cccc(-n2nc(C)cc2C)c1 220037035 JZCIROARXBEQIT-FQEVSTJZSA-N 370.497 2.998 0 50 FFAA c1ncc(CSc2nnc(C3CCNCC3)n2C[C@@H]2CCCO2)s1 426535403 FSRPISFJGRJDIK-ZDUSSCGKSA-N 365.528 2.673 0 50 FFAA Cc1ccc(Nc2ccc(NCCNC(=O)c3ccc(F)cc3)nn2)nc1 82230225 RYFXBOSVGSFETQ-UHFFFAOYSA-N 366.400 2.905 0 50 FFAA O=C1COc2cccnc2N1CC(=O)N1CCCC[C@H]1c1ccc(F)cc1 95530621 FCCKSFVDVRFCKI-INIZCTEOSA-N 369.396 2.700 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 95369675 HPDGKUGLYNRPQL-QGZVFWFLSA-N 373.464 2.992 0 50 FFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2C(=O)O)c(-c2ccccc2)o1 95387005 PQNCINHJDVPKQX-INIZCTEOSA-N 351.362 2.802 0 50 FFAA Cn1nc2cccc(NC(=O)N[C@@H]3CCCN(Cc4cccs4)C3)c2n1 97307205 RUFLXWOZQWUCFW-CYBMUJFWSA-N 370.482 2.816 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)n[nH]c2C)C1 96136215 YTYNASVOBYYGQQ-SFHVURJKSA-N 354.498 2.873 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)NC[C@]2(C)CCCO2)CC1 426534353 CBGYDMLTILERRK-NRFANRHFSA-N 359.514 2.904 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)o1 91636503 FIDLQWFRQFEHQN-JTQLQIEISA-N 370.438 2.508 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3cncn3C3CCCC3)C2)CCC1=O 91986435 JCFBPAZBEACSJI-OAQYLSRUSA-N 374.529 2.849 0 50 FFAA O=C1CC2(CCN(C[C@H]3CCOC3)CC2)CN1Cc1ccc(F)c(F)c1 91746272 SHCIIXMZWLZACZ-MRXNPFEDSA-N 364.436 2.816 0 50 FFAA CC1(C)CN(Cc2ccc(Cl)s2)CC[C@@]1(O)CN1CCOCC1 91871269 WMPCVGKKZYZUSD-QGZVFWFLSA-N 358.935 2.697 0 50 FFAA O=C1CC2(CCN(C[C@H]3CCOC3)CC2)CN1CCCc1ccccc1 91860787 JAVGHSUYGWBSCV-HXUWFJFHSA-N 356.510 2.970 0 50 FFAA CCOc1ccc([C@H](C)NC(=O)c2ccc(-n3cnnc3)nc2)cc1F 97575152 KKCYBNWLWPUKOC-LBPRGKRZSA-N 355.373 2.691 0 50 FFAA CC(C)c1nccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)n1 91908401 XPCSAVYQJRIMSX-UHFFFAOYSA-N 365.437 2.639 0 50 FFAA COc1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)cc1C(=O)O 299747766 DZCDIFGSIAIKSL-GOSISDBHSA-N 355.390 2.714 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1ccc(N3CCCCC3)cc1)CC2 299765200 KFGYRUQVTYGIJC-IRFCIJBXSA-N 358.482 2.821 0 50 FFAA CCCCN(Cc1ccco1)C(=O)Nc1cccc(S(N)(=O)=O)c1 299794300 JQGCGPDEQKYGPG-UHFFFAOYSA-N 351.428 2.761 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1cccc2c1NCCC2 670439913 XJAGKVQZDSZZTI-HNNXBMFYSA-N 353.422 2.672 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(Cl)nn2)CC1 870858152 LBZPWAFHZRVMPY-XYPYZODXSA-N 354.838 2.696 0 50 FFAA Cc1cc(C)n(-c2ccc(-c3nc(-c4cc(C)[nH]n4)n(CCF)n3)nc2)n1 1875331218 VPCGZAVUIRYDBP-UHFFFAOYSA-N 366.404 2.811 0 50 FFAA CC1(C)CN(C(=O)CCc2ccc(O)nc2)[C@@H]1c1nccn1CC1CC1 952890957 OYFBOUORMFLOSN-GOSISDBHSA-N 354.454 2.936 0 50 FFAA CC[C@H](NC(=O)CNC(=O)c1c2ccccc2nn1C)c1ccccc1 1875296947 WBWJKGHNSJYQFZ-INIZCTEOSA-N 350.422 2.571 0 50 FFAA C[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12)C1CCC(C)(O)CC1 1875263554 CSQXYTGUFVYJFX-ZFIHFTKLSA-N 358.482 2.765 0 50 FFAA CSc1cccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)c1 1565513176 OCMLPSPGAQXLKN-IRXDYDNUSA-N 368.506 2.935 0 50 FFAA CCCc1ccc(C(=O)N[C@H]2CCN(Cc3c(C)noc3C)C[C@@H]2O)cc1 1565511608 BBEZHEHRQGPZLZ-PMACEKPBSA-N 371.481 2.609 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)Nc2ccsc2)no1 275946783 LRLODPOJGXZUMN-AAEUAGOBSA-N 353.423 2.516 0 50 FFAA CCCn1ccnc1CCCN(C)C(=O)c1ccc(-n2cncn2)cc1C 170613654 JSPSNGPFSZTCSA-UHFFFAOYSA-N 366.469 2.887 0 50 FFAA C/C(=C\C(=O)NC[C@@](C)(O)c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 170638215 MZPAJHYEZWJDAO-CPWGKXKESA-N 357.498 2.907 0 50 FFAA O=C(Cc1ccncc1)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 279837081 FGZHLUSEHQGIKQ-XJKSGUPXSA-N 350.340 2.977 0 50 FFAA C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cnc(O)c(Br)c2)C1 408221615 JHHQJNODMKSPLT-QLJPJBMISA-N 371.275 2.857 0 50 FFAA O=C1C[C@@H](C(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CCN1 192074338 OZJUEEYPVUIEHA-VIFPVBQESA-N 360.763 2.990 0 50 FFAA C[C@@H](OC(=O)c1cccc2[nH]ncc12)C(=O)NC(=O)Nc1ccccc1F 785593986 CWUWULRBPSYMSB-SNVBAGLBSA-N 370.340 2.596 0 50 FFAA COc1ccc(F)cc1[C@H](C(=O)O)N1CCCN(c2ccnc(C)c2)CC1 1506431309 HVECAGKAIVHKAP-LJQANCHMSA-N 373.428 2.876 0 50 FFAA Cc1nc2ccccc2n1[C@@H](C)C(=O)Nc1nnc(CCN(C)C)s1 1506401181 CEGLXTPUOFFYMI-NSHDSACASA-N 358.471 2.500 0 50 FFAA CCn1ccc(CN2CCCN(C(=O)c3cc4ccccc4cn3)CC2)n1 1772815217 LBGUWLCMAGMEBU-UHFFFAOYSA-N 363.465 2.799 0 50 FFAA COc1ccccc1Cc1nc(-c2cnc(C)cn2)n([C@@H]2CCOC2)n1 1772813333 XFDZSIWMWFQXFK-OAHLLOKOSA-N 351.410 2.604 0 50 FFAA COc1ccc(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)cc1OC 11879344 ONBUCGIHAZHMAP-QGZVFWFLSA-N 359.397 2.927 0 50 FFAA CN(Cc1cc(-c2ccccc2)on1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 11950163 OGHNIFHXDIWFAT-OAHLLOKOSA-N 353.422 2.701 0 50 FFAA CCOC(=O)C[C@@H](CC(C)C)NC(=O)c1cn(C2CCCCC2)nn1 12468626 KSRWWXJKKNRBBJ-CQSZACIVSA-N 350.463 2.881 0 50 FFAA O=C(CSc1ncccn1)N[C@@H]1CCCN(CCCc2ccccc2)C1 12595128 KTEKLWYDTVTEQB-GOSISDBHSA-N 370.522 2.782 0 50 FFAA CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(C1CCOCC1)CC2 14751353 WBAKLHRYJNTSBS-UHFFFAOYSA-N 365.518 2.719 0 50 FFAA CO[C@@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@@H]2OC3(CCCCC3)O[C@@H]21 15659159 ACCMQFBKWULOQG-FIDHJVLJSA-N 354.443 2.878 0 50 FFAA biogenic CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)C1 18181796 WJULDALUBFMPGG-SJLPKXTDSA-N 372.465 2.717 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3OC)C2=O)cc1 19533500 MJHGOUHEDVMVPS-GOSISDBHSA-N 368.433 2.558 0 50 FFAA Cc1nc(CNC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)cs1 1857695311 DIEBDPJUHRSWAR-CYBMUJFWSA-N 371.466 2.911 0 50 FFAA CNC(=O)c1cc(-n2ccnc2-c2cnn3c(C)cc(C)nc23)ccc1F 1857705659 PNXSIDDALSHRFP-UHFFFAOYSA-N 364.384 2.698 0 50 FFAA COc1ccccc1OCCCN1C(=O)[C@@]2(CCNC2)c2ccccc21 1875243773 WPKONRFKULSCHE-OAQYLSRUSA-N 352.434 2.742 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3nc(C(=O)O)c(C)s3)C[C@H]12 1875251002 KDSRYUAFSPAFFG-BQUFFADESA-N 350.440 2.587 0 50 FFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CNC(=O)c1ccccc1 117250547 AOZSJDSTGMGLSI-GOSISDBHSA-N 352.434 2.795 0 50 FFAA O=C(C[S@@](=O)Cc1nnc(-c2ccccc2)s1)NC1CCCCC1 121676804 SPHBLGCCDQLIEX-DEOSSOPVSA-N 363.508 2.903 0 50 FFAA COc1ccnc(N2CCC(C(=O)N3CCCc4cccc(C)c43)CC2)n1 122756876 PMHFHBIPRGKPHC-UHFFFAOYSA-N 366.465 2.989 0 50 FFAA Cc1ccc(Br)cc1C(=O)N(CCC(=O)O)C1CCOCC1 237782252 DBSGBKSASIXBMB-UHFFFAOYSA-N 370.243 2.853 0 50 FFAA COc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@@H](C2CCC2)C1 366481666 LCPRMGAPJXQCIF-INIZCTEOSA-N 355.438 2.770 0 50 FFAA Cc1cc(C)c(NC(=O)CN2CCN(c3nc(C)ns3)CC2)c(C)c1 266878826 VUHUUKFBMHLPSK-UHFFFAOYSA-N 359.499 2.532 0 50 FFAA Cc1oc(-c2ccccc2F)nc1C(=O)N1CCO[C@]2(CCCOC2)C1 804131250 GYLALVBCINXVPS-LJQANCHMSA-N 360.385 2.811 0 50 FFAA C[C@H](N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc2ncccc12 905851951 AVNRUHFLXJNYTI-KYNGSXCRSA-N 370.522 2.731 0 50 FFAA COc1ccc(F)cc1-c1cncc(CN2CCC(NC(N)=O)CC2)c1 929808725 VIYSSDQDUMSTBH-UHFFFAOYSA-N 358.417 2.529 0 50 FFAA COC(=O)c1cc(Br)c(NC(C)=O)c(Br)c1 205084003 ZAUXLISNACHOLA-UHFFFAOYSA-N 350.994 2.957 0 50 FFAA O=C(NC[C@H]1C[C@H](n2ccnn2)C1)c1cnc2c(cnn2C2CCCC2)c1 2325803989 NQWSBZLZWAJSOZ-WJYNOGRTSA-N 365.441 2.519 0 50 FFAA COC(=O)[C@@H]1C[C@H](C)CN(C(=O)c2ccn(-c3ccc(F)cc3C)n2)C1 2325868916 QJBMJVGLHAMXEH-GXTWGEPZSA-N 359.401 2.591 0 50 FFAA CC(=O)N1CCCC[C@H](C2CN(C(=O)c3ccc4cccnc4c3)C2)C1 2325871361 IXUNYVGLTZVLQY-SFHVURJKSA-N 351.450 2.955 0 50 FFAA O=C(Cc1c[nH]ccc1=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 2325871418 KQUUFHCNQKRGGA-UHFFFAOYSA-N 358.401 2.777 0 50 FFAA O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 1194548 BMUZQUMOUUNMSO-UHFFFAOYSA-N 370.224 2.729 0 50 FFAA COc1cccc(CC(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)c1 2356161567 AFINRUUFQGPFBN-OAQYLSRUSA-N 351.450 2.843 0 50 FFAA O=C(c1ccnc(O)c1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356163801 RJKTZWHFAADGLH-OAQYLSRUSA-N 365.433 2.585 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1 3635270 LVEHHEKQBGIYSE-UHFFFAOYSA-N 370.521 2.918 0 50 FFAA Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 6701325 QJIYTCUANMITLH-INIZCTEOSA-N 368.433 2.873 0 50 FFAA CCc1nc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)sc1C 53570550 QKLKZJHRRYHILX-UHFFFAOYSA-N 354.435 2.876 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 8477110 AOPLZLOWXIWHOW-UHFFFAOYSA-N 365.282 2.994 0 50 FFAA CCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 52537534 CCLPPAVPDAAGNZ-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA CCCc1cc(N2CCN(C3CCN(CC(C)C)CC3)CC2)nc(C)n1 65405057 FJBBKLWRHFEQRY-UHFFFAOYSA-N 359.562 2.980 0 50 FFAA Cc1cc(CNC2CCN(c3cccc(N4CCCC4=O)c3)CC2)no1 23506570 JOBHCEQPNDUUFE-UHFFFAOYSA-N 354.454 2.868 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)no1 65452324 BBPMXGBLTWACCG-KRWDZBQOSA-N 366.425 2.810 0 50 FFAA O=C(NOCc1cccnc1)NC1CCN(Cc2ccc(F)cc2)CC1 119983015 BUMHGMPNELMCPW-UHFFFAOYSA-N 358.417 2.616 0 50 FFAA Cc1nc(CNS(=O)(=O)c2c(Cl)nc3ccccn23)c(C)s1 152892492 SUBYURXVGRFHFQ-UHFFFAOYSA-N 356.860 2.540 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(N3CCCCC3)nc2)CC1 67756694 HQSPXKQPLBWUQX-UHFFFAOYSA-N 370.497 2.547 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 328591265 VKNSGDRTTQJUJK-KRZXBLKESA-N 372.509 2.606 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3c(C)nn(C)c3Cl)CC2)cc1 363627882 PSMBMBHJUBXKTE-UHFFFAOYSA-N 374.872 2.725 0 50 FFAA C[C@H](C(=O)N1CCc2ccccc21)N(C)Cc1cn(C)nc1C(F)(F)F 154985270 VKFIWZXFLYZQGX-GFCCVEGCSA-N 366.387 2.849 0 50 FFAA OCc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)o1 328606570 SBCUFIYSQGQNNW-FOIQADDNSA-N 366.421 2.771 0 50 FFAA Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)o1 328602973 DNKPJVBCQRBJQC-BFUOFWGJSA-N 365.393 2.622 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C[C@@H]1CCCCO1)CC2 328623933 CDXXFBPKXXTRGV-JKSUJKDBSA-N 363.527 2.915 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)N1CCN(c2cccs2)CC1 156906199 YFVVQKROWUBGSS-UHFFFAOYSA-N 358.423 2.673 0 50 FFAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(c2ccnn2C)CC1 124934895 VGSVNICFTUURTG-UHFFFAOYSA-N 357.502 2.838 0 50 FFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccoc2C2(O)CCOCC2)C12CCC2 375093219 IVKWGLUXBXXADZ-JKSUJKDBSA-N 363.454 2.697 0 50 FFAA CCc1nc(C)c(C(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)s1 77437174 AYZFCHCAYSGJJN-UHFFFAOYSA-N 373.478 2.507 0 50 FFAA CCn1ccc(C(=O)NCCOc2cccc3ccc(C)nc23)cc1=O 215109721 CWJJMNNALDAGPA-UHFFFAOYSA-N 351.406 2.534 0 50 FFAA COCCc1noc([C@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1 219627172 KPQBVVQSSPTZCX-AWEZNQCLSA-N 368.437 2.770 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)CN2CCCCCCC2)CC1 77406857 KXBRVRDORZGPLW-UHFFFAOYSA-N 358.530 2.771 0 50 FFAA C[C@H](C1CCN(Cc2cnc(-c3ccco3)nc2)CC1)N1CCN(C)CC1 77504007 UJENIPJXURQOIC-QGZVFWFLSA-N 369.513 2.585 0 50 FFAA CN(C)CC[C@]1(c2ccccc2)C(=O)N(N2CCOCC2)c2ccccc21 71767305 NAMRXNSUQVDQMH-JOCHJYFZSA-N 365.477 2.518 0 50 FFAA c1cnc(N2CCc3ncnc(NCCCc4ccco4)c3CC2)nc1 72422775 JIUBAHZXYZUUDJ-UHFFFAOYSA-N 350.426 2.510 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(Cc2nc3ccccc3[nH]2)CC1 77472291 ISZCURMKWCJQAZ-UHFFFAOYSA-N 367.501 2.616 0 50 FFAA Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 286412462 FJGGMCGXJKWMIX-CYBMUJFWSA-N 359.401 2.835 0 50 FFAA COc1cccc2c1OCCCN(C(=O)[C@H]1CC(=O)Nc3ccccc31)C2 426661265 OAHUBWSTNVRRRW-INIZCTEOSA-N 366.417 2.932 0 50 FFAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)[C@H]1CC[C@@H](O)CC1 222882894 XTUKGHXGWUTXHC-ZBWWRJQLSA-N 354.450 2.714 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1 426566824 DVYXBDFWBFLNGH-AWEZNQCLSA-N 362.437 2.833 0 50 FFAA Cc1ccc(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(C)c1 225247110 KGASUQSTBLWEAS-CWLKWCNXSA-N 367.449 2.622 0 50 FFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@H]1CCCN(C(N)=O)C1 82106317 IQGWGJLGKXDFKJ-LBPRGKRZSA-N 362.861 2.579 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 91536884 GEEDLLYOGZSROH-UHFFFAOYSA-N 354.385 2.900 0 50 FFAA CC[C@H](O)CN1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 181721732 UAYIJNKLLCOLAM-ZDUSSCGKSA-N 367.465 2.977 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCC(c2nccn2CC2CCC2)CC1 95502112 ZMFKCMLRCMEOKL-UHFFFAOYSA-N 364.453 2.746 0 50 FFAA OC[C@@H](Cc1ccc(O)cc1)Nc1ncnc2c1Cc1ccccc1OC2 95507460 IGQHOAGZWSSXIP-MRXNPFEDSA-N 363.417 2.681 0 50 FFAA CCCc1nc(C(=O)NCc2nncn2CCc2ccccc2)cs1 91645301 GZUYCLPMPILRIH-UHFFFAOYSA-N 355.467 2.860 0 50 FFAA CC1(C)SC[C@@H](C(=O)N2CCC(Cc3ccccc3F)CC2)NC1=O 95386429 GCXBFFJCURZBOA-INIZCTEOSA-N 364.486 2.617 0 50 FFAA Cc1ccc(-c2nc(CN3CC(=O)N(C)c4ccccc4C3=O)no2)cc1 95510021 MBEOFRMNZMXQOR-UHFFFAOYSA-N 362.389 2.664 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2 91974311 KINUSBMICNEXQE-UHFFFAOYSA-N 373.497 2.637 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 95365441 VZUNPQIEMAEZSQ-QXAKKESOSA-N 372.419 2.699 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)[C@@H](c1cccnc1)N1CCCC1 95380324 VCYIMUMEOANRDB-MRXNPFEDSA-N 369.450 2.646 0 50 FFAA Cc1scnc1CN1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 230471355 WNFQABPOAXBLND-LJQANCHMSA-N 354.479 2.940 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2OC)C1 91593175 HRFDSPMWBSTRNH-CQSZACIVSA-N 373.453 2.949 0 50 FFAA Nc1nscc1C(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244811652 SIQHQQMUEVCDBD-GHJWDPDVSA-N 354.435 2.516 0 50 FFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 244633673 GHKCFCAEPUHGCB-SFHVURJKSA-N 372.469 2.697 0 50 FFAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 182951706 KBTQJMZYDWZCLY-RDTXWAMCSA-N 373.478 2.778 0 50 FFAA O=C(O[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@H]6[C@@H]5[C@H]5[C@@H]4[C@@H]1[C@H]1[C@@H]5[C@H]6[C@H]7[C@H]1[C@@H]32)C(F)(F)F 257358706 VWEHEQAELOIJAO-LWHCDIJCSA-N 372.386 2.688 0 50 FFAA COc1ccc(NC(=O)N2CCCC[C@H]2CCn2cccn2)c(OC)n1 299794079 IPBWOEHABSSOFV-AWEZNQCLSA-N 359.430 2.772 0 50 FFAA O=C(NC1CC(CCn2cc(C3CC3)nn2)C1)[C@H]1C(F)(F)C12CCC2 1875408125 PAFVGPHJAFANLN-ABIUDSBCSA-N 350.413 2.876 0 50 FFAA C[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 1875260957 GHFYWEJIRJCOJW-BMIGLBTASA-N 363.259 2.519 0 50 FFAA CN1CCN(C(=O)c2csc(-c3ccsc3)n2)C[C@@H]1c1ncc[nH]1 1875264081 GPELSHLULPIZKE-CYBMUJFWSA-N 359.480 2.724 0 50 FFAA CS(=O)(=O)[C@H]1CCCCN(C(=O)[C@H]2CC[C@@H](n3cccc3)CC2)C1 1875274383 ZOPFEHVSONUFEU-BBWFWOEESA-N 352.500 2.645 0 50 FFAA C[C@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 1875252734 MZYSLKKKMFKCAC-XDQVBPFNSA-N 364.877 2.521 0 50 FFAA COc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1C(=O)N(C)C 952986438 HUROYJCYBKXHKU-UHFFFAOYSA-N 364.405 2.835 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccccc2-c2nc[nH]n2)n1 952977533 VZNJLGVGPIRRIT-AWEZNQCLSA-N 352.398 2.955 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cccc(C(=O)N(C)C)c2)C1 888102728 JCJAYJVABSXAEN-MSOLQXFVSA-N 356.470 2.690 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)o1 1565526268 KHBATPFGYUPMIY-APWZRJJASA-N 365.477 2.995 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3CCOC[C@@H]3Oc3ccccn3)cc2s1 1565511525 VNNJFHSTVKKQNU-HOCLYGCPSA-N 369.446 2.966 0 50 FFAA Cc1cccc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)oc12 274833851 RBARORINCVVMLS-UHFFFAOYSA-N 351.406 2.903 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)C(=O)Nc2ccccc2)C1 170614475 OQDLUWWGOCEZCV-HXUWFJFHSA-N 373.453 2.627 0 50 FFAA CCS(=O)(=O)c1ccc(Cl)cc1C(=O)N(C)c1ccc(OC)nc1 170658712 XWLYPYWJZSUCRX-UHFFFAOYSA-N 368.842 2.814 0 50 FFAA O=C(Nc1cccc(N2CCC2=O)c1)N1CCCN(C2CCCC2)CC1 280133495 LWMXBFRWWIEIKA-UHFFFAOYSA-N 356.470 2.906 0 50 FFAA COc1ccc(C[C@H](C)CN(C)c2cc(N3CCOCC3)ncn2)cc1 192348627 IQSFVZZZZMCPPO-INIZCTEOSA-N 356.470 2.637 0 50 FFAA CCc1nc(C)c(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)[nH]1 1529095706 UGPPXNSIHWBNML-UZLBHIALSA-N 350.466 2.864 0 50 FFAA COc1ccc([C@@H]2[C@@H](C(=O)NC3CCCCC3)OCC(=O)N2C2CC2)cc1 1529106429 PBKRWOYYTBDQGG-UXHICEINSA-N 372.465 2.575 0 50 FFAA Cc1nc(C(=O)N2CCCN(Cc3ccc4c(c3)CCO4)CC2)cs1 1529155643 XJOHFVNXFQTHPO-UHFFFAOYSA-N 357.479 2.735 0 50 FFAA Cc1cc(C(N)=O)c(NC[C@@H](c2cccnc2)N2CCCCC2)nc1C 1704339955 RSIMACLZVLOIKK-SFHVURJKSA-N 353.470 2.831 0 50 FFAA Cc1ccc2c(C(=O)N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)cc(C)nc2c1 1704352134 UBEAQTDTVZUHRC-FOIQADDNSA-N 364.449 2.559 0 50 FFAA CO[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1Cc1cc(C)no1 1704352670 CANREELBJMQWJQ-XLIONFOSSA-N 352.438 2.858 0 50 FFAA COc1ccc(CCN2C(=O)O[C@H]3CN(c4ccc(Cl)cn4)C[C@H]32)cc1 211098108 YQHXYPZPRRFQLE-SJORKVTESA-N 373.840 2.996 0 50 FFAA O=C(NCCc1ccccn1)c1coc(COc2cccc(F)c2F)n1 12308038 DHDFAHWCFWLKLQ-UHFFFAOYSA-N 359.332 2.899 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)Cc1nonc1C 12703435 NXULJCPWFKSIKD-CYBMUJFWSA-N 372.473 2.667 0 50 FFAA CC(C)CN(C)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14753113 STJJJXCMEWWQLL-CQSZACIVSA-N 360.527 2.857 0 50 FFAA Cc1ccccc1-c1noc(-c2ccc(NC[C@H]3COCCO3)nc2)n1 14956261 MCQIYJOHBWKUAN-HNNXBMFYSA-N 352.394 2.934 0 50 FFAA Cc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NC(C)(C)C)c2=O)o1 15004178 XTXADYNGTDUDHZ-UHFFFAOYSA-N 373.453 2.789 0 50 FFAA C[C@@H]1CCCCN1C(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O 16661452 WCNJUSALWCIPNY-ZBFHGGJFSA-N 352.438 2.910 0 50 FFAA CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccc1 18222645 WIQAAFXWVGRNLM-OAHLLOKOSA-N 362.385 2.786 0 50 FFAA aggregator,biogenic O=C1C[C@H]2N(Cc3cccc(OC(F)(F)F)c3)CC[C@]23OCCCN13 1857724628 KSMKNCORPADBNC-ZBFHGGJFSA-N 356.344 2.508 0 50 FFAA O=C(NC[C@H]1Cc2ccccc2O1)c1[nH]nc(C2CC2)c1Br 115942014 AQBXSALSVPAICH-LLVKDONJSA-N 362.227 2.783 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCOC2(CCOCC2)C1 120646035 BTBJZVDCEHMSOR-JKSUJKDBSA-N 350.846 2.787 0 50 FFAA CS(=O)(=O)Cc1noc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)n1 163664860 VBLXZPWTDLPNRO-MAUKXSAKSA-N 361.467 2.516 0 50 FFAA CS(=O)(=O)N1CC[C@H](CN2CC3(CCCC3)c3cccc(F)c32)C1 801551536 NIXTZWLEYHYYBN-CQSZACIVSA-N 352.475 2.739 0 50 FFAA CCn1cc(C(=O)OCc2ccc3nonc3c2)c(=O)c2ccc(C)nc21 720319 AHRGFCMZHKUEHB-UHFFFAOYSA-N 364.361 2.618 0 50 FFAA Cc1cc(NC(=O)C2CCCC2)cc(C)c1OCC(=O)N1CCOCC1 4779434 LYOISFANDGFGLV-UHFFFAOYSA-N 360.454 2.670 0 50 FFAA Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 4561162 FPJOVUQOSACWAE-UHFFFAOYSA-N 358.419 2.894 0 50 FFAA COc1ccc(C2(C(=O)N3CCOC[C@](C)(CO)C3)CCCCC2)cc1 2325801134 XPFCRFBNNBKSGI-FQEVSTJZSA-N 361.482 2.755 0 50 FFAA Cn1cncc1C(=O)N[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 2325855991 XYYYJZIDSNRLNY-CAOSSQGBSA-N 360.502 2.507 0 50 FFAA O=C(CN1CCN(Cc2ccc(F)cc2)CC1)Nc1ccc(F)cc1F 22752685 SIZHNDSYRDYLJJ-UHFFFAOYSA-N 363.383 2.860 0 50 FFAA CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 640177 JKWUOANQGQTSGX-UHFFFAOYSA-N 364.492 2.976 0 50 FFAA Cc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 1173656 HDCGZDJASHNOLP-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2cccc(O)c2)c1 1257904 YJEFPOZSBYUPHA-UHFFFAOYSA-N 355.423 2.716 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cnc(-c2ccccc2)s1 2356145630 GETKKLZNYNLZNB-FQEVSTJZSA-N 371.506 2.759 0 50 FFAA O=C1N(Cc2ccccn2)CCC[C@]12CCCN2Cc1nccn1C1CC1 2356168650 MCPVASUFTHMIDR-NRFANRHFSA-N 365.481 2.770 0 50 FFAA CC[C@@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1cccc(OC)c1 8772808 KKJHJZQSTAVARE-OAHLLOKOSA-N 359.451 2.777 0 50 FFAA Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)c1 9096475 VEXFWYQGULKENM-SFHVURJKSA-N 363.461 2.697 0 50 FFAA CC(C)N1CCCn2nc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)cc2C1 105756048 MOKFODIIPOTEAU-JFIYKMOQSA-N 354.498 2.829 0 50 FFAA COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCCC1 10286905 RPNYDNDOLSFBDO-UHFFFAOYSA-N 374.462 2.756 0 50 FFAA CC(C)Cc1noc([C@H](C)NC2CCN(C(=O)c3cccnc3)CC2)n1 1506426403 HXHZBODEKACPMS-AWEZNQCLSA-N 357.458 2.619 0 50 FFAA C[C@@H](C(=O)N1CCC(O)(CO)CC1)c1ccc(-c2ccccc2)c(F)c1 67817480 PGLUDESXJXNWKI-OAHLLOKOSA-N 357.425 2.942 0 50 FFAA COc1ccc(CNC[C@@H](C)NCc2ccc(OC)c(OC)c2)cc1OC 20034827 ANGZRUFMMINUAK-OAHLLOKOSA-N 374.481 2.989 0 50 FFAA biogenic OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1CC1CCCCC1 20452684 UOTMUUYUDTVODY-FQEVSTJZSA-N 374.525 2.907 0 50 FFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C 252457542 QGRLJURSMLVZMT-RBSFLKMASA-N 369.465 2.711 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@@H]3[C@H]4Cc5ccccc5[C@H]43)cn21 333171167 NSWZJJNEPYJYQC-BGIGGGFGSA-N 357.479 2.645 0 50 FFAA Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3)C2=O)cc1 333228395 NOCSUCWZTQZMOI-WKWVNEEDSA-N 365.477 2.559 0 50 FFAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 237050999 YNKHDOXMYKFXEK-ZBFHGGJFSA-N 350.434 2.749 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)c1ccn(COc2cccc(Cl)c2)n1 2799808 ZXTZCNQKZFYWNK-UHFFFAOYSA-N 373.844 2.853 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccccn2)C1 72475248 QQFOAFCEZCZSRA-KRWDZBQOSA-N 354.502 2.576 0 50 FFAA COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C 4618208 YREYEVIYCVEVJK-VWLOTQADSA-N 359.451 2.989 0 50 FFAA biogenic,fda CNC[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2F)C1 237290316 JCYVNWLCXJBHFM-GFCCVEGCSA-N 357.267 2.979 0 50 FFAA CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1 331972880 RWPVDEQJDJTNBK-QZTJIDSGSA-N 364.511 2.661 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCc3nc(-c4ccccc4)no3)C2)n1 77344250 QKUFKFKQJAUEQU-KRWDZBQOSA-N 365.437 2.956 0 50 FFAA C[C@@H]1CN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C[C@@H](C)N1 153936908 IDKGHAHPUUMVKF-ZJJGVRJWSA-N 351.450 2.883 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@@H]1COc2ccccc2O1 215911078 GPVQASMSNIVMJP-INIZCTEOSA-N 355.419 2.937 0 50 FFAA COc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3CCn3cccn3)c2c1 77407314 AECBCQYLDMDIGU-AWEZNQCLSA-N 353.426 2.853 0 50 FFAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCOCC4(CCC4)C3)cn2)n1 363956108 AFMJUGGUBHDFLY-UHFFFAOYSA-N 355.442 2.919 0 50 FFAA Cc1nc(N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)c2c(C)c(C)sc2n1 378001104 YXFXDEIDBCVEDH-XJKCOSOUSA-N 360.483 2.855 0 50 FFAA O=C(CCc1cccnc1)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 219232798 ITJKVFXPGPZPGF-QGZVFWFLSA-N 363.421 2.865 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@H](CN4CCOCC4)C3)co2)cc1 129545210 QATAQRFVISBJDZ-MRXNPFEDSA-N 357.454 2.504 0 50 FFAA Cc1cc(=O)n(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)nc1C 72432184 PZSYWGRFLDHQBT-UHFFFAOYSA-N 368.462 2.642 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 284501545 CIWDZGSUFFMRIM-VQIMIIECSA-N 352.482 2.884 0 50 FFAA CCn1cc(CN(C)Cc2cc(C)cc(CN3CCN(C)CC3)c2C)cn1 216018128 SRTQBCMZJHUREH-UHFFFAOYSA-N 369.557 2.899 0 50 FFAA CC[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 284752450 FKVYHSGGBTWDKD-MUGJNUQGSA-N 360.498 2.722 0 50 FFAA COc1nc2ccccc2nc1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 77406413 NJLPGGWCDBTAKO-CQSZACIVSA-N 365.437 2.700 0 50 FFAA O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1ccon1 14886258 NHFLEYYROGQQHS-GOSISDBHSA-N 361.829 2.616 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C3CCN(Cc4ccco4)CC3)CC[C@H]21 72431588 NQMVLWLFUOBTIQ-FXAWDEMLSA-N 359.514 2.967 0 50 FFAA CN(CCN1CCCCC1=O)c1cc(-c2ccc(F)cc2)nc2ccnn12 72473687 DNHMBRBPBRJBCI-UHFFFAOYSA-N 367.428 2.984 0 50 FFAA CC(C)n1cc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cn1 36385607 KUYVVCRHPIKEMS-OAQYLSRUSA-N 356.514 2.575 0 50 FFAA COc1ccc(CC[C@H]2CCCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)cc1 71763509 FBPAGGKGOLUKNN-MRXNPFEDSA-N 370.449 2.877 0 50 FFAA CN(Cc1ccc(OCC(N)=O)c(Cl)c1)Cc1nc2ccccc2[nH]1 216183301 HIIYFGXQNSBKFN-UHFFFAOYSA-N 358.829 2.712 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnc(C4CC4)[nH]c3=O)[nH]c2c1 72429745 DRENQEYBDOHXAI-INIZCTEOSA-N 363.421 2.809 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2Br)cc1 13745440 GRDYTNZTYNGFOO-UHFFFAOYSA-N 370.228 2.741 0 50 FFAA Cc1ccnc([C@@H](NC(=O)c2cc(C(C)C)n3ncnc3n2)C2CC2)c1 215852293 BTBDQAOGANCDFR-KRWDZBQOSA-N 350.426 2.832 0 50 FFAA Cc1cc(N2CCCN(Cc3ccccc3OCC(=O)O)CC2)ccn1 72171544 QFOHEYIRYXMDOG-UHFFFAOYSA-N 355.438 2.566 0 50 FFAA CCC(CC)N(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C 72130672 YKWGTSPNCXGFLU-IBGZPJMESA-N 359.514 2.723 0 50 FFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1(c2cccc(F)c2)CCOCC1 133561480 AVUONTPOINFMHO-RBUKOAKNSA-N 355.409 2.648 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3ccc(CCO)cc3)c2)C1 426503109 HKRLCWFJRUFFMF-NRFANRHFSA-N 366.461 2.629 0 50 FFAA CN1CCC(N(CCc2ccccc2)C(=O)NCCc2cccnc2)CC1 426502864 ICGUZKXOZJOWRA-UHFFFAOYSA-N 366.509 2.973 0 50 FFAA COc1cc(OC)cc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)c1 178408437 VKFZZIBDFMNQTL-KRWDZBQOSA-N 351.399 2.809 0 50 FFAA O=C(O)Cn1nccc1[C@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 426580987 QESBDMWHSGXCDX-HNNXBMFYSA-N 364.405 2.536 0 50 FFAA NCc1nnc(SC[C@@H](O)C2CC2)n1-c1cccc(C(F)(F)F)c1 426382911 KXWGWNCQCWMFKI-GFCCVEGCSA-N 358.389 2.608 0 50 FFAA Cc1ccc2nc([C@H](C)NC(=O)N3CCN(CC(F)(F)F)CC3)[nH]c2c1 426442555 NQJNAWWWVFTGAU-LBPRGKRZSA-N 369.391 2.822 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)on1 95499084 ACWGBLPPFUHPHM-GXTWGEPZSA-N 374.466 2.518 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](OCc2ccccn2)C1 426512072 IDMPPNZLVMOQBW-QGZVFWFLSA-N 369.421 2.701 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239165266 NUKBSJPEHDPMKX-MCKLEBTQSA-N 370.836 2.640 0 50 FFAA CN1CCN(Cc2csc(-c3ccccc3)n2)C[C@]12CCNC(=O)CC2 91504510 HYIILYATLWZEBM-FQEVSTJZSA-N 370.522 2.596 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccc3nsnc3c2)c2ccc(F)cc2N1 97546703 MFPVUQSVHNXSCE-GFCCVEGCSA-N 356.382 2.573 0 50 FFAA COc1cc2c(cc1C(=O)N1CCC3(CCC(=O)N(C)C3)CC1)CCC2 91350860 WKEBHGVGLUNURK-UHFFFAOYSA-N 356.466 2.659 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)cc1F 97532484 FUFGXHVFXKZJJS-LLVKDONJSA-N 355.373 2.896 0 50 FFAA O=C1NC2(CCN(C(=O)CCc3cccnc3)CC2)C[C@@H]1c1ccccc1 95387421 MZTVBIVIJHSHOG-LJQANCHMSA-N 363.461 2.679 0 50 FFAA O=C(NCCSC1CCCCC1)[C@@H](c1cccnc1)N1CCOCC1 95354682 PIVGPTGIEKOHBN-GOSISDBHSA-N 363.527 2.637 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NC[C@@H](CO)Cc2ccsc2)c1 91664515 DSBAOVSFJWNFJV-AWEZNQCLSA-N 371.462 2.728 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc3cc(F)ccc3n2C)on1 96136760 ZRGCKILRGCJENI-CJNGLKHVSA-N 357.385 2.601 0 50 FFAA CCOc1ccc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)cn1 181283400 ZKEOGKHIQIOQBC-CQSZACIVSA-N 367.496 2.943 0 50 FFAA Cc1ccccc1CC(=O)N1CCC2(CC1)CC(=O)N(C[C@@H]1CCCO1)C2 95358340 DJVDAVXVRVWBLM-IBGZPJMESA-N 370.493 2.558 0 50 FFAA Cc1nc(-c2nc(C3CCCC3)nn2-c2ccc3nncn3n2)cs1 91616913 VAQXQJHSLAECBN-UHFFFAOYSA-N 352.427 2.795 0 50 FFAA Fc1cccc(-c2nnc(CN3CCN(C4CCSCC4)CC3)o2)c1 244828593 TYZPHKQHLFRRSI-UHFFFAOYSA-N 362.474 2.889 0 50 FFAA Cc1cc2ccccc2n1CC(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O 184036391 QBGKPKHPBCRMBK-HKUYNNGSSA-N 354.450 2.936 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72151050 YDVPNAFJWXPNDM-NRFANRHFSA-N 373.416 2.598 0 50 FFAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1c(Cl)cccc1Cl 299788663 ZGDDBWIVASPYBF-GFCCVEGCSA-N 372.296 2.666 0 50 FFAA C[C@H](Cc1ccsc1)NC(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1 299764730 DFJZFDPRCUWEMA-CYBMUJFWSA-N 369.494 2.971 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2snnc2C(C)C)c1C 299787807 QSBIFGVXRFBGGR-JTQLQIEISA-N 363.487 2.945 0 50 FFAA COCCc1nc(C2CCN(C(C)=O)CC2)n(-c2ccc(Cl)cc2)n1 670469128 UCHNRYSMGFBLOP-UHFFFAOYSA-N 362.861 2.836 0 50 FFAA O=C1O[C@H]2CCN(C(=O)c3cc(C4CC4)nc(C(F)(F)F)c3)C[C@@H]2O1 1875319972 AOJQTDWTKKQJTN-RYUDHWBXSA-N 356.300 2.728 0 50 FFAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(c3nc4ccccc4o3)C2)n1 952963323 GVBYJZPSVSWMGS-INIZCTEOSA-N 367.453 2.674 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc32)C1 1346080491 JGNRABFVXOPUQL-IIBYNOLFSA-N 366.465 2.978 0 50 FFAA Cc1cc(F)ccc1CC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565511895 ODRRILCUSSRWJI-PMACEKPBSA-N 373.424 2.522 0 50 FFAA CN(CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2)c1ccccc1 1565515851 ZNBIWZRKQQAUKG-NQIIRXRSSA-N 364.493 2.641 0 50 FFAA CCN(c1cccc(O)c1)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 190359684 XJXYZTULGQYCRO-ZDUSSCGKSA-N 374.462 2.905 0 50 FFAA CCOc1c(Cl)cccc1CC(=O)N[C@](C)(C(N)=O)c1ccccc1 190809375 YNPAKVHDKBEQCG-IBGZPJMESA-N 360.841 2.798 0 50 FFAA C[C@H](c1nnnn1C1CC1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 192167426 FKEFJJFZRJMDHO-HIFRSBDPSA-N 364.457 2.734 0 50 FFAA COc1cc(F)c(CN2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)cc1OC 1529095907 ZBFCRJOQFMZXBN-KUHUBIRLSA-N 364.417 2.829 0 50 FFAA COc1cc(-c2onc(N[C@@H]3CCCC[C@H]3O)c2C(=O)O)ccc1F 1704330002 FIGUCAQGIGUYNT-VXGBXAGGSA-N 350.346 2.903 0 50 FFAA CCCc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n[nH]1 1704338583 VJLBNLHTRCFQTF-FOIQADDNSA-N 364.449 2.586 0 50 FFAA CCO[C@H]1COC[C@@H]1Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 1772700553 GTIRYOITHFCMET-RYUDHWBXSA-N 352.774 2.909 0 50 FFAA COc1cc(C(=O)N(C)[C@@H](C)c2ccon2)ccc1OC1CCN(C)CC1 11720635 ACBQKMFARLNXIH-AWEZNQCLSA-N 373.453 2.989 0 50 FFAA COC(=O)c1ccc(CN2CCN(C[C@H]3CC=CCC3)CCC2=O)cc1 12328368 FQHWUTCOTHMXIO-KRWDZBQOSA-N 356.466 2.864 0 50 FFAA CC(C)CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 169364280 QSPUODWHQMJTCS-OLMMMNRUSA-N 361.463 2.619 0 50 FFAA aggregator O[C@]1(c2ccccc2)C2[C@@H]3[C@@H]4C5[C@@H]([C@@H]2C53Br)C41Br 169615722 YKVAHPGCIDIAFH-HBPZNWNHSA-N 368.068 2.907 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857668297 IRJLNJSSHCFLDE-OAQYLSRUSA-N 368.481 2.938 0 50 FFAA CN(CCn1cnc2ccccc21)Cc1cnc(NC[C@H]2CCCO2)nc1 1857676084 OGMBXSMRPOEJDY-QGZVFWFLSA-N 366.469 2.549 0 50 FFAA CO[C@H]1CCN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)C1 1857719419 KTFHQDQAEUOPQA-AWEZNQCLSA-N 363.845 2.945 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(Cc3[nH]c4ccccc4c3Cl)C[C@]23CC[C@H]1O3 1857720898 PPSYYUKUIGRYRQ-QHDJUILOSA-N 373.884 2.937 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H]1COCCN1C 330619497 ZBQORTWAVSCSMD-JKSUJKDBSA-N 354.878 2.883 0 50 FFAA CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1ccc(F)c(Cl)c1 125504455 GMTAZXZHLPANPZ-OAHLLOKOSA-N 357.838 2.911 0 50 FFAA O=C(O)CN(C(=O)c1csc(-c2cccs2)n1)C1CCOCC1 238116001 DRNAGCIJFJVOJC-UHFFFAOYSA-N 352.437 2.577 0 50 FFAA NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)cc1 366698161 IEGYWKMKQXQGJZ-KGLIPLIRSA-N 362.426 2.539 0 50 FFAA Cc1ccccc1CS(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 156654278 AGGKBXKPKIVLTL-HNNXBMFYSA-N 366.433 2.972 0 50 FFAA CCc1nn(C)c(Cl)c1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 162586561 JORYZGTUTHZINO-UHFFFAOYSA-N 361.808 2.891 0 50 FFAA Cn1cc(-c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CC2CC2)ccc1=O 910456439 OPLPVPGIHLOELR-DOTOQJQBSA-N 353.470 2.823 0 50 FFAA CN1CCC(OC(=O)c2cc3cc(Br)ccc3oc2=O)CC1 720120 LNIVKEZMQMFOIO-UHFFFAOYSA-N 366.211 2.807 0 50 FFAA COCCNS(=O)(=O)c1cccc(-c2nc([C@H](C)C3(C)CC3)no2)c1 2325774301 FCJGDBASWCHQAZ-LBPRGKRZSA-N 365.455 2.565 0 50 FFAA O=C(NCCc1ccc2c(c1)CCOC2)c1cnoc1C1CCOCC1 2325800182 VEHCSMNJCWTGTQ-UHFFFAOYSA-N 356.422 2.614 0 50 FFAA Cc1nc(NC(=O)Nc2c[nH]nc2-c2cnccn2)ccc1Br 2325840552 FVALOJMXNOHSQS-UHFFFAOYSA-N 374.202 2.977 0 50 FFAA Cc1ncsc1CN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 129797846 QYUCWAVPEKFBNV-UHFFFAOYSA-N 369.487 2.534 0 50 FFAA O=C1CN(C[C@@H]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)CCCN1 2356141142 WLKIZIRGPYVTFI-WOJBJXKFSA-N 371.525 2.506 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 247202601 VCUWSXYYKJXOQT-NNMXDRDESA-N 370.493 2.640 0 50 FFAA O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCSCC2)CC1 53802517 STAFXQQDJBLWMF-UHFFFAOYSA-N 352.887 2.768 0 50 FFAA CC(=O)N1CCC(CNC(=O)Nc2nnc(-c3cccs3)s2)CC1 55182570 NQVHQKKAXVVNME-UHFFFAOYSA-N 365.484 2.647 0 50 FFAA O=C(NCc1ccccc1F)N1CCC[C@H](Cn2cc(C3CC3)nn2)C1 23479223 UVKPHSITEPEDHO-AWEZNQCLSA-N 357.433 2.916 0 50 FFAA CCOC(=O)c1cccnc1N1CCN(C2CC(C)(C)NC(C)(C)C2)CC1 65398843 ITIVUZFSNYJYHO-UHFFFAOYSA-N 374.529 2.690 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1C(=O)Cc1nc2ccccc2o1 1506403948 XWGSTTCQJVGANK-OAHLLOKOSA-N 355.438 2.764 0 50 FFAA COc1ccc(NC(=O)CCN2CCN(Cc3ccncc3)CC2)c(C)c1 65366132 YTAFCGFCOUCRPO-UHFFFAOYSA-N 368.481 2.545 0 50 FFAA CC(=O)NCCCc1nc(CCc2ccccc2)nn1-c1ccnc(C)c1 65409872 ONIHMEKDPIOVIR-UHFFFAOYSA-N 363.465 2.825 0 50 FFAA O=C(c1ccccc1NCc1noc2c1CCCC2)N1CCC[C@H]1CO 120280282 ZNUSXYAXWYANEX-AWEZNQCLSA-N 355.438 2.762 0 50 FFAA Cc1cc(S(=O)(=O)NC2CCN(C(=O)C(C)C)CC2)sc1Cl 252487959 IFUJYOWUGGKDLB-UHFFFAOYSA-N 364.920 2.635 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)[nH]n1 67513848 PWFHOWUCXKZNBS-NSHDSACASA-N 357.389 2.520 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccccc1-n1cccn1)c1ccc(F)cc1 65534344 VITPSNJSJQUNNZ-IBGZPJMESA-N 352.413 2.931 0 50 FFAA CC(C)n1ccnc1CN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328634031 MJYSODFJCKHBCU-GJZGRUSLSA-N 351.495 2.965 0 50 FFAA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)ccc1O 219361286 POZCGGDNWNSVIN-CRAIPNDOSA-N 361.369 2.506 0 50 FFAA O=C(CN1C[C@H](CO)Cc2ccccc21)Nc1ccnn1C1CCCC1 366446505 SVRHQHKVIITYJN-OAHLLOKOSA-N 354.454 2.608 0 50 FFAA COc1cccc(N2CCC[C@@H](NC(=O)c3cc[nH]c3C3CC3)C2=O)c1 367360932 CFZZBSUGACZGCV-QGZVFWFLSA-N 353.422 2.826 0 50 FFAA O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)CNCC3 77353674 QXZNTWJUZFSING-UHFFFAOYSA-N 350.447 2.828 0 50 FFAA c1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cs1 72478061 UNGBNMDCLBJUIO-PWIZWCRZSA-N 369.490 2.934 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4nc(N)sc4C3)cc2)n1 72421375 CLQJLRCVLOCYDV-UHFFFAOYSA-N 367.478 2.785 0 50 FFAA O=C(c1ncoc1C1CC1)N1CCC(Oc2ccccc2)(C(=O)O)CC1 72432464 VKTOVSCAWICUFB-UHFFFAOYSA-N 356.378 2.690 0 50 FFAA O=C(CCc1cc(=O)[nH]o1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 72430886 CDIBICJEKZJDTG-HNNXBMFYSA-N 358.373 2.670 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(c1nc(-c3ccccc3)cs1)C2 426701585 JIRFAHGOERQGED-UHFFFAOYSA-N 353.451 2.663 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)o1 82098321 WPLFPODHPPKZGA-CYBMUJFWSA-N 353.382 2.968 0 50 FFAA N[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 178330994 XLJFYDXPVHYUDE-SNVBAGLBSA-N 356.323 2.594 0 50 FFAA Cc1cc(CC(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)on1 91746872 LZSXWAURACVGQK-UHFFFAOYSA-N 365.437 2.572 0 50 FFAA CC(C)OC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91289320 BGIKYFIPXXODCV-UHFFFAOYSA-N 358.446 2.582 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 97679972 RLTYVTVKDRFWMB-UHFFFAOYSA-N 374.872 2.628 0 50 FFAA O=C1C[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)c2cc(F)ccc2N1 91325542 HNPVGOUWRBEVLX-KRWDZBQOSA-N 368.408 2.762 0 50 FFAA Fc1ccccc1-n1nc(COc2ccccc2)nc1C[C@@H]1CNCCO1 96153290 PRLXKLSKXDZETL-MRXNPFEDSA-N 368.412 2.516 0 50 FFAA CCn1nncc1C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 331669274 YNYHKFXFSQAURM-CQSZACIVSA-N 354.332 2.531 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NC[C@@H](c1ccncc1)N1CCOCC1 91468905 AVXWAWQKMBSCRM-INIZCTEOSA-N 374.510 2.773 0 50 FFAA CCN(CCNC(=O)c1cc(C(C)C)n2ncnc2n1)c1cccc(C)c1 97743599 NIAMOJJXKHPYSG-UHFFFAOYSA-N 366.469 2.812 0 50 FFAA OC[C@H]1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1CN1CCCC1 91906831 DSMJICKBFGXNAV-QZTJIDSGSA-N 374.916 2.662 0 50 FFAA CCN1CC2(CCN(CC(=O)NC(C)C)CC2)C[C@@H](c2ccccc2)C1=O 95387317 FWFFKPCODOUILQ-IBGZPJMESA-N 371.525 2.629 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1c(C)noc1C)CC2 92062413 RURZGCCKCAQUBB-UHFFFAOYSA-N 371.485 2.804 0 50 FFAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(CN2CCN(C)CC2)o1 97785075 JPANMYMRMSJFNE-OAHLLOKOSA-N 371.456 2.926 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 92036906 JVYJGYBOYGQZSS-KRWDZBQOSA-N 361.461 2.976 0 50 FFAA COc1c(C)cc([C@H](C(=O)O)N2CCC(CN3CCCC3=O)CC2)cc1C 95371581 IFKVJBFWJZFBIM-LJQANCHMSA-N 374.481 2.772 0 50 FFAA O=C(COc1cccc(F)c1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91526803 ZOJBRHSIFCGSND-UHFFFAOYSA-N 374.456 2.846 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC(N2CCSCC2)CC1 97527896 ZQGZSMAJGFUCAN-UHFFFAOYSA-N 364.559 2.755 0 50 FFAA CCc1nnc(NC(=O)[C@H](C)N(C)Cc2ccc3nsnc3c2)s1 244795557 RINFSQZUKZWDMT-VIFPVBQESA-N 362.484 2.564 0 50 FFAA O=C(CCCN1Cc2ccccc2C1=O)NC[C@H]1CCCN2CCCC[C@H]12 252537333 KYNQLAGHPHZDIB-YLJYHZDGSA-N 369.509 2.803 0 50 FFAA CSCCCNC(=O)c1ccc(-c2cc(OC(C)C)nc(N)n2)cc1 534661882 VIPWCSQHJWCPGM-UHFFFAOYSA-N 360.483 2.996 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc2[nH]nnc2c1 299785208 JTGOUAJLHAJOTF-UHFFFAOYSA-N 351.410 2.828 0 50 FFAA CCOc1cc(C(=O)N[C@H]2CCC[C@H](SC)C2)ccc1OCC(=O)O 268950096 PQILPCDQLDGXMG-KBPBESRZSA-N 367.467 2.953 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCCN1CCCc2ccccc21 821502022 FFDROSBAQWAPFA-KRWDZBQOSA-N 362.477 2.827 0 50 FFAA Cn1cccc1-c1cc(C(=O)NC2CCN(Cc3cccs3)CC2)n[nH]1 828211789 UPIPWNJCOCIZHQ-UHFFFAOYSA-N 369.494 2.871 0 50 FFAA Cn1cncc1C(=O)NCC1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 828202217 ILFGIUNWGWJQHS-ROUUACIJSA-N 356.514 2.854 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 900303734 PELJDXPMXYLGBP-QGZVFWFLSA-N 354.454 2.661 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2nc3c(s2)C[C@@H](C)CC3)C1 1875379360 RGRUYMCXVWRNKZ-IHRRRGAJSA-N 361.511 2.870 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cc1 1875373568 GHPQXSUAOXIMTH-HNNXBMFYSA-N 358.344 2.977 0 50 FFAA O=S(=O)(c1cccs1)N1CCC[C@@H](NCc2cnc(C3CC3)o2)C1 952994801 SLPDOFAYBXRCLL-CYBMUJFWSA-N 367.496 2.556 0 50 FFAA Cc1cccc([C@@H](CC(=O)N2CC[C@@H](c3cccc(O)c3)C2)NC(N)=O)c1 1875267949 OYRPGNLLFPKCBY-IEBWSBKVSA-N 367.449 2.816 0 50 FFAA O=C(C[C@@H]1OCCc2ccsc21)NCCN1CCc2sccc2C1 1875254582 SPZLKYUYTQOPCA-HNNXBMFYSA-N 362.520 2.988 0 50 FFAA CN(C)c1nc2ccc(C(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)cc2[nH]1 1875294466 SPFBEGRRDYXMRX-CRAIPNDOSA-N 350.422 2.577 0 50 FFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)CCn2c(C)cccc2=O)c1 952981853 VHZOMJOULWIKSG-UHFFFAOYSA-N 371.437 2.789 0 50 FFAA O=S(=O)(Cc1ccc(F)cc1)N(Cc1ccccn1)C[C@H]1CCCO1 952974990 KZZKUGLAVBQVBZ-GOSISDBHSA-N 364.442 2.732 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3nc4ccccc4o3)C2)ccn1 886050565 ZNBYSWAOLBVBBB-KRWDZBQOSA-N 352.438 2.938 0 50 FFAA O=C1O[C@H]2CN(Cc3ccc(Cl)s3)C[C@H]2N1CCN1CCCCC1 1565507180 GSXFCIDDGYSDLF-CABCVRRESA-N 369.918 2.892 0 50 FFAA C[C@H]1C[C@@H](CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 273165513 OCLDOQSFUMZZJP-QWRGUYRKSA-N 366.405 2.970 0 50 FFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)CCc2ccccn2)CC1 275506202 ASKRJTZLXMMZON-HXUWFJFHSA-N 352.482 2.922 0 50 FFAA O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)OCCO2 187663228 POYZMIIOWITRHH-MLGOLLRUSA-N 359.344 2.671 0 50 FFAA COc1cncnc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 408516984 HKNMUEVJMCKFSR-CYBMUJFWSA-N 374.828 2.630 0 50 FFAA CN(CC(=O)N1CCOc2ccccc21)Cc1cc(-c2ccccn2)no1 1529173457 WHYHUUIXBVTROS-UHFFFAOYSA-N 364.405 2.594 0 50 FFAA O=C(c1ccc(NC[C@@H]2CCN(C3CCCCC3)C2)nc1)N1CCOCC1 1704344998 ZEZRTLBIAMTFCI-KRWDZBQOSA-N 372.513 2.621 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc1N1CCCC1=O 11760006 OWVACWUZWJGADK-OAHLLOKOSA-N 369.465 2.851 0 50 FFAA CCN(CC)CC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 11874471 BVCNTNXMEHBMGW-QGZVFWFLSA-N 362.424 2.986 0 50 FFAA COc1ccccc1/C=C/CN1CCC(CCC(=O)NCCN(C)C)CC1 12439570 YKPVLWRHURJAQU-SOFGYWHQSA-N 373.541 2.878 0 50 FFAA C[C@@H]1CN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)CCN1 1857725072 VKFFFESMTQVGSX-GFCCVEGCSA-N 362.861 2.518 0 50 FFAA CN1CC[C@@H]2CN(C(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)C[C@@H]21 219584912 JNALXRXHQBIZND-XLIONFOSSA-N 373.456 2.952 0 50 FFAA O=C(c1cn([C@H]2CCOC2)nn1)N(C1CC1)[C@H]1CCCc2ccccc21 330035434 BUEKGPWDRDQDQP-LPHOPBHVSA-N 352.438 2.922 0 50 FFAA CO[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O)[C@@H]1CCOC1 857569642 SYIWNGKSFZPSIE-DOMZBBRYSA-N 360.435 2.504 0 50 FFAA CN([C@H](CO)C(C)(C)C)S(=O)(=O)c1ccc(Br)s1 128437649 GULOXWAFFWIEMG-MRVPVSSYSA-N 356.307 2.538 0 50 FFAA COc1ccc2c(c1C)CC[C@H]([C@]1(O)C(=O)N(C)c3ccccc31)C2=O 854540 WVAPPHWKUCYWNX-KKSFZXQISA-N 351.402 2.613 0 50 FFAA CCC(CC)(CNC(=O)[C@@H](N)Cc1ccnnc1)c1ccc(Cl)cc1 2325768358 LKJPMLINZCDVPE-KRWDZBQOSA-N 360.889 2.874 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCc4nnn(C)c43)cc2)c1C 2325773504 KFZOEQFAGSESPF-INIZCTEOSA-N 350.426 2.676 0 50 FFAA CCOc1cc(NC2CCN(c3nc4c(s3)CCCC4=O)CC2)ncn1 2325775435 ILVPMUWOTIFUDH-UHFFFAOYSA-N 373.482 2.932 0 50 FFAA CCOC(=O)[C@H](NC(=O)C1(F)CCCC1)[C@H](O)c1ccc(Cl)cc1 862333682 OTDGQLDVJFGIAA-ZIAGYGMSSA-N 357.809 2.704 0 50 FFAA CCOc1ccc(OCC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1 2356148824 VALWOMYNBAXLRF-NRFANRHFSA-N 372.465 2.610 0 50 FFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1CCc1ccccc1 9531907 ZMXKGBYXVLAWEU-UHFFFAOYSA-N 359.311 2.701 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3cccc(F)c3)C[C@H]2CCO)CC1 104505909 GXVUKRBRJUXEGA-OAQYLSRUSA-N 363.521 2.567 0 50 FFAA COc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100632687 OJUKMBGNBORINC-GJZGRUSLSA-N 362.813 2.542 0 50 FFAA OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1F 20472851 YJFLTZIZAOARRG-SFHVURJKSA-N 372.440 2.623 0 50 FFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2sc3cccc(F)c3c2Cl)CN1C 65428513 NJUSDCWXSZWQCP-WPRPVWTQSA-N 370.833 2.669 0 50 FFAA CCCc1cc(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)ccn1 65431874 WGDZJUQYYFUCMD-UHFFFAOYSA-N 366.377 2.743 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)nc1 67954615 BRIXSJAYSSWPEO-UHFFFAOYSA-N 368.433 2.562 0 50 FFAA C[C@H](C(N)=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67851537 WYFVGWKYGJQPTJ-LLVKDONJSA-N 369.446 2.737 0 50 FFAA CS(=O)(=O)C1(c2noc(-c3ccnn3C3CCCC3)n2)CCCC1 333803663 GRMSSXBPRMMNAD-UHFFFAOYSA-N 350.444 2.862 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccc(O)nn3)C2)cc1 67855308 NXJCFUXKYYJGAU-OAHLLOKOSA-N 363.421 2.901 0 50 FFAA COc1cccc([C@H]2CNC(=O)c3nc(-c4ccc(CO)cc4)[nH]c3C2)c1 65434983 BQJUITPXIYPHIL-MRXNPFEDSA-N 363.417 2.647 0 50 FFAA CSCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72164308 WWHXAIYEPRIBMR-FSPWUOQZSA-N 352.450 2.716 0 50 FFAA C[C@H](c1ccccc1)c1nccn1CCc1ccc(S(N)(=O)=O)cc1 71763762 LJFGGMHSPUWREW-OAHLLOKOSA-N 355.463 2.925 0 50 FFAA O=c1n(Cc2ccc(F)c(F)c2)nc([C@H]2CCCNC2)n1-c1ccccc1 71765086 LWDICIQWXDVQKB-HNNXBMFYSA-N 370.403 2.828 0 50 FFAA CN(C)CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 363188450 KITYEYPNXPTROX-INIZCTEOSA-N 363.527 2.543 0 50 FFAA Cc1[nH]c2c(F)cc(F)cc2c1CCNC(=O)COC[C@@H]1CCCCO1 215083136 UMIZRPUFEBRKKW-AWEZNQCLSA-N 366.408 2.999 0 50 FFAA Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC[C@@H](c3ccccc3)[C@@H]1C)C2=O 175754226 QBSRXQUBZRMWMZ-DOTOQJQBSA-N 362.429 2.996 0 50 FFAA C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccccn1 131116083 XNPAGPQGCIMMCZ-CRAIPNDOSA-N 352.438 2.633 0 50 FFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 262963323 RXKZYOUGVVJVLL-HNNXBMFYSA-N 359.353 2.585 0 50 FFAA CC1CCN(CCNC(=O)c2cccnc2O[C@@H](C)C(F)(F)F)CC1 242273637 YEOGUHYDHZLTTQ-ZDUSSCGKSA-N 359.392 2.873 0 50 FFAA COc1cc(SC)c(OC)cc1CN1CCN(C2CCOCC2)CC1 216112926 VOZIZJYIXRZPBF-UHFFFAOYSA-N 366.527 2.722 0 50 FFAA CN(C)C(=O)c1nc(CN2CCC[C@H]2c2nc3ccccc3s2)no1 72153639 KQOCUIPKVBOJSC-LBPRGKRZSA-N 357.439 2.718 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc(C)nc2c(C)c(C)ccc12 77285524 HFVDDRJUKRWOAU-OALUTQOASA-N 355.482 2.997 0 50 FFAA Cc1nnc(COCC(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)s1 286146724 ZGFYTTWNPFDXAB-SECBINFHSA-N 353.831 2.831 0 50 FFAA O=C(c1cccc(OC(F)F)c1)N1CCC(C(=O)N2CCCC2)CC1 41848005 WZZSMJPKJUJSCH-UHFFFAOYSA-N 352.381 2.763 0 50 FFAA Cc1nn2c(nnc3c(=O)n(C[C@@H]4CCCO4)ccc32)c1-c1ccccc1 40391082 YMNBYCYPOATBQQ-HNNXBMFYSA-N 361.405 2.594 0 50 FFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCC(c3ccncn3)CC2)c1C 220019898 WZKPZQOSFQPOBG-CYBMUJFWSA-N 369.469 2.850 0 50 FFAA CCCCSCc1cc(C(=O)N2CC[C@]3(CC(=O)NC3=O)C2)oc1C 82138977 CGRNGDPDHXEYOF-SFHVURJKSA-N 364.467 2.500 0 50 FFAA C[C@H](CN1CCCn2nc(CNC(=O)N(C)C)cc2C1)c1ccccc1 82157898 UVUJILADOBNFFV-MRXNPFEDSA-N 355.486 2.664 0 50 FFAA CC1=C(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)SC2=NCCN21 82121443 WCNLOVIMCVXDFG-OAHLLOKOSA-N 371.510 2.649 0 50 FFAA O=C(c1nc(O)nc2ccccc12)N1CCCN(Cc2cccs2)CC1 426431139 UKSFVPUKHYNJIJ-UHFFFAOYSA-N 368.462 2.745 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)Nc3cccn4cnnc34)C2)n1 96142241 XYXFMWVKAMKVME-ZDUSSCGKSA-N 369.429 2.722 0 50 FFAA O[C@@H]1CN(c2ncnc3cc(F)ccc23)CC[C@H]1c1ccc2c(c1)OCO2 95366929 FRZRWOWBOYPEOW-WMLDXEAASA-N 367.380 2.852 0 50 FFAA Cc1cccc2nc(C(=O)N3CCC(OCc4cccnc4)CC3)c(F)n12 91807788 LYJCCNBMGAALNS-UHFFFAOYSA-N 368.412 2.998 0 50 FFAA O=C(c1ccnc(N2CC[C@@H](c3ccc(F)cc3)C2)c1)N1CCOCC1 95525699 UCHCDEJANWJQEL-QGZVFWFLSA-N 355.413 2.687 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(c3cc(C(=O)NC4CC4)ccn3)C2)c1 95525825 FJOISNLJEXHFQH-HNNXBMFYSA-N 367.449 2.985 0 50 FFAA COc1ccccc1N1CCN(Cc2ccccc2-n2cccn2)CC1=O 91616338 VKBOIEPSLWCQSV-UHFFFAOYSA-N 362.433 2.730 0 50 FFAA COc1ccc(Cc2nc(CN(C)C)n(Cc3ccccc3)n2)cc1OC 95498544 FXUCENNUYYEXSQ-UHFFFAOYSA-N 366.465 2.996 0 50 FFAA Cc1cc(N2CCC(NC[C@H]3CCOC3)CC2)nc(-c2ccccc2O)n1 95503724 RUVYJTJSEWPCHQ-MRXNPFEDSA-N 368.481 2.753 0 50 FFAA O=C(COc1ccccc1Cl)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95516932 UDSWMTZYZCWGEY-FOIQADDNSA-N 373.836 2.716 0 50 FFAA CC(=O)C(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@@H]1CCCO1 95527412 ZAOUTBDSJQAINB-NRFANRHFSA-N 372.509 2.804 0 50 FFAA CN(Cc1cccc2ncccc12)Cc1nnc([C@H]2C[C@@H](N)C2)n1C1CC1 244882439 XRRJRNFRVDBKQW-IYBDPMFKSA-N 362.481 2.998 0 50 FFAA COc1cccc(CN(C)Cc2cc(=O)n3nc(SC)sc3n2)c1 240517160 NVUWLPNRRQRVAJ-UHFFFAOYSA-N 362.480 2.514 0 50 FFAA CC(C)CS(=O)(=O)N1CCC(Nc2nc3cc(F)ccc3o2)CC1 183090046 SAPWNDKMSIADPS-UHFFFAOYSA-N 355.435 2.829 0 50 FFAA C[C@@H](CC(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)c1ccccc1 71730266 ICYCFFFRCWIVFN-HNNXBMFYSA-N 374.444 2.910 0 50 FFAA CCCCN1CCn2nc(CNC(=O)NCc3cccc(F)c3)cc2C1 299772148 YYFMTOOLQGXGPJ-UHFFFAOYSA-N 359.449 2.637 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(c1cc(C)c3ccc(F)cc3n1)C2 299792191 FTFRCHVGCKPJOR-UHFFFAOYSA-N 367.428 2.925 0 50 FFAA Cc1nc(C)c(CC(=O)NCc2nc3ccccc3n2C(C)C)c(O)n1 299774433 HCJCGNIFMAADTO-UHFFFAOYSA-N 353.426 2.589 0 50 FFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1ccc(F)c(C)c1)CC2 299796303 PKHNJXAMFSHJMT-HHXXYDBFSA-N 351.418 2.747 0 50 FFAA NC(=O)Cn1cc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cn1 497645391 IPZIXRYCWQHTNJ-UHFFFAOYSA-N 368.397 2.923 0 50 FFAA CC(C)(O)c1cncc(-c2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2)c1 584889080 VLSPNJSZPIKKKU-HXUWFJFHSA-N 365.477 2.800 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)nc1 1875393837 MVPYCNMNXHMVQX-KGLIPLIRSA-N 370.453 2.819 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1c(C)nc(CC)nc1C)C1CCCCC1 1875386793 YTLMCPBKUXMJFR-MRXNPFEDSA-N 358.486 2.637 0 50 FFAA O=C(N=[S@]1(=O)CCC[C@@]2(CCCN2)C1)c1cnc(-c2ccco2)s1 1875393604 QFOCWINLVYNHQU-FYSMJZIKSA-N 365.480 2.927 0 50 FFAA Cc1nc(C(=O)N2CCC3(CCC3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300315 XSKLVSOJGDHGNR-QGZVFWFLSA-N 371.529 2.640 0 50 FFAA Cc1nccc(N2CC[C@@H](CCNC(=O)c3cccc4c3CCC4)C2)n1 1875303083 UXFDAVDCUIRCBS-MRXNPFEDSA-N 350.466 2.920 0 50 FFAA Cc1nc(O)cc(N2CCC3(CC2)C[C@H](C)N(C(=O)[C@@H]2CC2(C)C)C3)n1 1875407581 DBEHHSPTGGEFRU-ZFWWWQNUSA-N 358.486 2.744 0 50 FFAA C[C@H](Cc1coc2ccccc12)NC[C@H]1C[C@H](c2nncn2C)C[C@H]1O 952890543 VZGQROZGEDHQLM-BASYENTBSA-N 354.454 2.637 0 50 FFAA O=C(c1cnc(C2CC2)[nH]1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848659 QJHRFUNKVMLZFA-KGLIPLIRSA-N 352.442 2.548 0 50 FFAA CCOC(=O)Nc1scnc1C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 1875263145 GWGBJMJKGXZLKD-YUSALJHKSA-N 353.444 2.645 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc(C)nc2onc(C)c12 952966896 XWHOHBSPABWQQJ-UHFFFAOYSA-N 364.365 2.681 0 50 FFAA COCCN(Cc1cccc(OC)c1)C(=O)c1nnc(O)c2ccccc12 952977241 SXNVAEIKCAIPPU-UHFFFAOYSA-N 367.405 2.633 0 50 FFAA Cc1ccc(CN(CCN(C)C)C(=O)[C@@H]2CC(=O)OC23CCCC3)cc1 952988756 PBIXPXWYCRERLN-SFHVURJKSA-N 358.482 2.761 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCC(O)(CN3CCCC3)CC2)cc1 952965127 BTAVOLGCGGFPBN-KRWDZBQOSA-N 362.539 2.925 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(N(C)C)c(Cl)c2)C1 952975740 LRTBMDYCKNOEIS-LBPRGKRZSA-N 352.866 2.738 0 50 FFAA CC(C)(C)c1cc2c(N3CCC[C@@H](NC4CCOCC4)C3)nccn2n1 895122577 GAINIJJUSRQSCZ-MRXNPFEDSA-N 357.502 2.764 0 50 FFAA COC[C@H]1[C@@H](NC(=O)C2(c3ccc(OC)cc3)CCCC2)[C@H]2CCO[C@H]21 1565527401 JFYOEOMOVBWJAT-YDZRNGNQSA-N 359.466 2.673 0 50 FFAA Cc1ccsc1S(=O)(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565511503 DLTDUPYDVDGDGO-HOTGVXAUSA-N 367.492 2.709 0 50 FFAA CCc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccncc2)C3)nc1 1565509310 XHXOZTPVRSHBIT-PXNSSMCTSA-N 350.466 2.776 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N(C)CC(C)(C)O 277064645 AVDMMPNFGCJFLB-HKUYNNGSSA-N 371.481 2.796 0 50 FFAA Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@H]1CN1CCCC1 170742206 CMLYDLINQSOVII-KRWDZBQOSA-N 355.486 2.615 0 50 FFAA Oc1nc(NC[C@@H](O)c2ccc(F)cc2)nc2c1cnn2-c1ccccc1 301254240 AWFSUERSEFGJEM-MRXNPFEDSA-N 365.368 2.806 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)[C@@H]1CC[C@@H]2C[C@H]2C1 408493540 CDRFXIBAQLOBGW-HLTSFMKQSA-N 364.286 2.752 0 50 FFAA Cc1nc(CC(C)C)sc1C(=O)N(CCC(=O)O)C1CCOCC1 408513310 ONYMQICOUGMWAQ-UHFFFAOYSA-N 354.472 2.746 0 50 FFAA CNc1cc(N2CCC[C@H]2CNc2nnc(C)cc2C(F)(F)F)ncn1 732038211 KRMLMYYMRMWMPR-NSHDSACASA-N 367.379 2.716 0 50 FFAA Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)cc(C)c1Cl 13745038 BDSUCHYWANLMHK-HNNXBMFYSA-N 374.872 2.863 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccncc1)CC2 14542813 UGIOYXROADSJKA-UHFFFAOYSA-N 364.449 2.510 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)CCc2nnc(COc3ccccc3)o2)C1 19147354 BPZATSMRHBKSPT-MRXNPFEDSA-N 372.469 2.524 0 50 FFAA Cc1cc(=O)n(CC(=O)NCCc2ccccc2)c(-c2ccc(F)cc2)n1 169752696 UXKJGRWWHZOOFN-UHFFFAOYSA-N 365.408 2.717 0 50 FFAA COc1cc2c(cc1-c1nccn1Cc1cnc(SC)n1C)OCCO2 1857683958 SQBZPJIBHTXHHW-UHFFFAOYSA-N 372.450 2.834 0 50 FFAA CCOCCn1nc(COc2ccccc2OC)nc1-c1c(C)ncn1C 1857718775 SFIIFTFPHQBWID-UHFFFAOYSA-N 371.441 2.611 0 50 FFAA CCOc1ccccc1C(=O)NC[C@H]1[C@H]2CN(CC3CC3)C[C@]23CC[C@H]1O3 1857731832 QPXFPDSETBFPLB-XHYAQGIWSA-N 370.493 2.705 0 50 FFAA CCC[C@@H]1C[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 212265382 UVXCCNDMEGAFAA-MSOLQXFVSA-N 368.481 2.762 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)o1 328616133 BJVDVJAFBMXZGN-QGZVFWFLSA-N 356.426 2.500 0 50 FFAA CC(=O)N1CC[C@@]2(O)CCN(Cc3ccccc3OC3CCCC3)C[C@H]2C1 247902102 BEDMQPGLJVDJAF-UGKGYDQZSA-N 372.509 2.813 0 50 FFAA Cn1nc(C(F)F)c2cc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)sc21 472146415 WPJUIXDJAQVMIG-MRVPVSSYSA-N 351.382 2.583 0 50 FFAA Cc1noc(C2CCN(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)n1 264262811 JDVBQRXESHCGDB-JTQLQIEISA-N 371.397 2.509 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@@]4(CCc5cnc(C)nc54)C3)c2n1 1704339770 LZKYGQZPRGYFQS-OAQYLSRUSA-N 362.481 2.925 0 50 FFAA C[C@H]1C[C@H](NC(=O)N2CC(O)(c3cccc4ccccc34)C2)c2nccn21 847380996 ABFYCJRRYZOKDR-KSSFIOAISA-N 362.433 2.955 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1C[C@H](CO)C[C@@H]1CO 2325774455 FTIVWYXSFQGMBP-VQIMIIECSA-N 364.445 2.510 0 50 FFAA COC(=O)c1cnc2c(CN3CCO[C@@H](c4cccs4)C3)cccn12 2325779281 UXSYUPKWDGDOOU-OAHLLOKOSA-N 357.435 2.756 0 50 FFAA O=C(C1=CNC2=NCCCC2=C1)N1CC[C@@H](c2ccc3cccnc3n2)C1 2325806275 AMBCZYVZNDOCRM-MRXNPFEDSA-N 359.433 2.552 0 50 FFAA COC(=O)[C@H](C)Oc1ccc(NC(=O)c2cc[nH]c3nccc2-3)cc1F 2325822220 KCWTWLSBOWPDAU-JTQLQIEISA-N 357.341 2.846 0 50 FFAA C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Nc1cc(Cl)cc(C(N)=O)c1 2325860274 BDMHRVLOUIDJAG-MEDUHNTESA-N 361.829 2.725 0 50 FFAA Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 2325867978 KPGPUDQBAONECW-GOSISDBHSA-N 351.450 2.669 0 50 FFAA CCCC(=O)N1CCC(C2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 2325869025 WHEHVTNBVJWFAO-UHFFFAOYSA-N 363.546 2.606 0 50 FFAA COc1c[nH]nc1-c1nc([C@H]2CCOC2)nn1Cc1ccc(F)c(F)c1 2325876071 JVJSWQHNLAWGIZ-NSHDSACASA-N 361.352 2.507 0 50 FFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(O)c32)cc1 953372 WVDXSACARBKIOU-UHFFFAOYSA-N 362.407 2.712 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 1066675 SNKSCPKSINXMBV-CYBMUJFWSA-N 350.415 2.927 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1 2356144333 SDDOZETXQQQFOQ-OAQYLSRUSA-N 351.450 2.979 0 50 FFAA Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)n(-c2ncccc2Cl)n1 2356159037 JFPJOCSLZAJOJF-CQSZACIVSA-N 361.877 2.983 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc(F)ccc2Cl)C1=O 2356166589 FCBVHPCITYYPFF-GOSISDBHSA-N 368.836 2.723 0 50 FFAA Cc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 6418447 NSGJNGNQTQMOBX-VFNWGFHPSA-N 371.433 2.634 0 50 FFAA biogenic COc1cc2c(cc1OC)CN(C[C@@H](O)COc1ccccc1OC)CC2 8844738 APGCYLRWPDLFKS-QGZVFWFLSA-N 373.449 2.510 0 50 FFAA O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2nc(O)oc2c1 416379222 VOZPATUEYIRGDK-BDAKNGLRSA-N 364.345 2.933 0 50 FFAA COc1ccc(CN(C(=O)CCn2nnnc2C)C(C)C)c2ccccc12 55119945 RFJNTQNOIJSWFU-UHFFFAOYSA-N 367.453 2.971 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)NC[C@@]2(N(C)C)CCSC2)n1 469856410 MUAIYSWSIUZZRN-SFHVURJKSA-N 359.499 2.740 0 50 FFAA Cc1nc2sccn2c1CN1CCN(CCC(C)C)[C@@H](CCO)C1 20322076 YNQAMPOVBLSWRL-INIZCTEOSA-N 350.532 2.619 0 50 FFAA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)Cc2noc3ccccc23)C1 328637955 WDPZSELSIWBPPR-CQSZACIVSA-N 373.434 2.514 0 50 FFAA CCN1CC[C@H](N(C)C(=O)Nc2cccc(N3CCOC3=O)c2)C[C@H]1C 252674726 SKHIXKVJXZDUML-ZBFHGGJFSA-N 360.458 2.980 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccccn3)C2=O)cc1 67691159 VXBSTCWVMSCSGS-QFIPXVFZSA-N 367.493 2.848 0 50 FFAA Cc1cc(O)nc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 328983105 SIGGPWHHLMPAGJ-OAHLLOKOSA-N 363.421 2.901 0 50 FFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 2566728 JQBIIYXKEFVGST-APTSRADASA-N 356.466 2.735 0 50 FFAA Cc1cc(C)n(CC(=O)N(C)Cc2csc(-c3cccs3)n2)c(=O)n1 72425365 WFHWQFZJKYQIJI-UHFFFAOYSA-N 374.491 2.704 0 50 FFAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4cccc(CO)n4)C3)nc12 77379659 RTBVHYFAFFSQSM-AWEZNQCLSA-N 350.422 2.778 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1N1CCNC1=O 173784525 CGFPHSXDEQYDGO-AWEZNQCLSA-N 355.394 2.795 0 50 FFAA COc1ccccc1-c1nc(CN2CC[C@H](N3CCOCC3)C2)cs1 173986419 JNCGHKKYMTZWFV-INIZCTEOSA-N 359.495 2.725 0 50 FFAA CCn1c(C)ccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1=O 71771822 MCTWUIVGNOZJJP-UHFFFAOYSA-N 351.435 2.934 0 50 FFAA Cc1nn(C)c2ncc(C(=O)Nc3cccc(-c4nnc(C)n4C)c3)cc12 378216135 CBEBJUPEMLVDRL-UHFFFAOYSA-N 361.409 2.633 0 50 FFAA CCN(CC)[C@H](CNc1nc(C)nc2c1CCN(C(C)=O)C2)c1ccco1 71774837 GFFMDTRTTBPCJG-GOSISDBHSA-N 371.485 2.778 0 50 FFAA CCc1nnc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)s1 72436656 PKKZEXLNTYXILG-LJQANCHMSA-N 371.510 2.905 0 50 FFAA COc1cccc(C2(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)CC2)c1 376138704 DRUFWKKLZISEPC-NRFANRHFSA-N 355.409 2.986 0 50 FFAA COc1ccc(F)c(F)c1CN1CCC([C@H](C)N2CCN(C)CC2)CC1 77344185 YQLVAEHDJAUSHI-HNNXBMFYSA-N 367.484 2.821 0 50 FFAA Cc1nc([C@H]2CCCN2Cc2c(-c3cc(C)on3)nn(C)c2Cl)n[nH]1 215103883 DGEIQCZUVYDTMT-CYBMUJFWSA-N 361.837 2.801 0 50 FFAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C2)c1 378024778 IDWFPOICMDCNAO-HZMBPMFUSA-N 364.339 2.547 0 50 FFAA O=C1CCN(c2ccccc2C(=O)N2CCC[C@H]2c2ccccn2)C(=O)N1 72436085 VBSOVJVNNRJDPL-KRWDZBQOSA-N 364.405 2.505 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)N1CCCC[C@@H]1c1ccccn1 77393609 ORAPVWUEZUWQMJ-GOSISDBHSA-N 358.463 2.999 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)s1 135921435 LZPGYNMKRPCZBQ-RBJBARPLSA-N 351.424 2.783 0 50 FFAA O=C(COc1ccc(F)c(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 44402501 FHUPUKLEMOBBQR-UHFFFAOYSA-N 368.836 2.719 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)c3cccc4cc(C)oc34)cc2C1 82148097 NCXYEKHWRUFXNF-UHFFFAOYSA-N 366.421 2.620 0 50 FFAA Cc1cccc2c1OC[C@H](NC(=O)Nc1ccc(-c3ncn(C)n3)cc1)C2 289867986 DBWWBFQDVMBPRR-QGZVFWFLSA-N 363.421 2.916 0 50 FFAA O=C(Cc1ccccc1OCc1ccccc1)N1CCC[C@](O)(CO)CC1 221245818 BEIAOXALIRTGJB-JOCHJYFZSA-N 369.461 2.544 0 50 FFAA CC(C)n1cc(CN(C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cn1 426668258 GOEFAJCSZBXENG-HNNXBMFYSA-N 367.457 2.947 0 50 FFAA Cc1c(CN(C)C(=O)N[C@@H](C)CCN2CCOCC2)[nH]c2ccccc12 426716091 NGRFKPRPRZNMMR-HNNXBMFYSA-N 358.486 2.729 0 50 FFAA Cc1nc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)cs1 82099337 XTCUNYKIFGTTHR-UHFFFAOYSA-N 359.499 2.726 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)Cn1ccc(=O)c2ccccc21 223550691 LCPHMLBJYAHRCS-CQSZACIVSA-N 353.447 2.960 0 50 FFAA Cc1nc(CC2CCN(C(=O)NCc3cc(F)cc(F)c3)CC2)no1 426478709 ISKGZASXYGTCBP-UHFFFAOYSA-N 350.369 2.821 0 50 FFAA CN1C(=O)CC[C@@H]1C(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 329299993 VIHURXOKYITNFK-MRXNPFEDSA-N 370.478 2.532 0 50 FFAA CCn1c(CN2CCCC2)nnc1C1CCN(c2ncccc2F)CC1 82166555 LYMWMCIINMQXNA-UHFFFAOYSA-N 358.465 2.812 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCc2[nH]nc(C3CCC3)c2C1 48284567 ZQPRIWBMEHDMLZ-UHFFFAOYSA-N 354.454 2.907 0 50 FFAA COc1cccnc1-c1ccc(C(=O)N2CCN(CCSC)CC2)cc1 426689819 DWRAAEFRVVEVPD-UHFFFAOYSA-N 371.506 2.878 0 50 FFAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 426535917 QXZAAUXHJXSBOQ-KRWDZBQOSA-N 365.437 2.533 0 50 FFAA CCS(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 91350900 NRJWVOBETMECNP-MRXNPFEDSA-N 363.483 2.834 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@@H]2CCCO2)C3)c(C)o1 95360524 MOGZSECRPLEFNG-INIZCTEOSA-N 360.454 2.530 0 50 FFAA O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccoc2)[C@H](CCO)C1 91665483 DSAGMUKZEIIIPL-QGZVFWFLSA-N 374.506 2.929 0 50 FFAA O=C(NCCNC(=O)[C@H]1CCOc2ccccc2C1)c1ccccc1Cl 95512166 MZGZXAXRKGJMRH-HNNXBMFYSA-N 372.852 2.827 0 50 FFAA Cc1nc(C2CCN(C[C@H]3CCOc4ccccc4C3)CC2)cc(=O)[nH]1 95498768 GCVMKUGSNXYEJN-INIZCTEOSA-N 353.466 2.899 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)ccn1 95378952 XMJWIQKLKZNVJB-SFHVURJKSA-N 368.481 2.544 0 50 FFAA COc1ccc(OC)c2c1cc(C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)n2C 238923853 PODWZCWMESZPGN-JOCQHMNTSA-N 374.437 2.816 0 50 FFAA COc1ccc(CCCNC(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1 426534422 HIHLSWUZTSHTJI-SFHVURJKSA-N 356.470 2.946 0 50 FFAA O=C(COc1ccccc1O)N[C@H]1CCCc2c1cnn2-c1ccccn1 91586380 BKDAWBKCDIWVKF-HNNXBMFYSA-N 364.405 2.546 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)s1 91986112 QVEWZSWRYXFUND-UHFFFAOYSA-N 370.482 2.860 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N(C)CCCn1nc(C)cc1C)C2 91550645 FFQLGARMPLPHLM-QGZVFWFLSA-N 357.454 2.608 0 50 FFAA CCn1cncc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 91847557 OKCZCDFTIMCUQV-INIZCTEOSA-N 354.454 2.696 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccco2)C1 95386197 BYCUUQIAKTXRRK-MRXNPFEDSA-N 359.474 2.517 0 50 FFAA Cc1ccc([C@H]2CCCN2C(=O)c2cn(C3CCNCC3)nn2)cc1C 237665008 CXESGDSSRZISOF-LJQANCHMSA-N 353.470 2.797 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1ccc3c(c1)CC(=O)N3)C2 95529296 RGKPMABITQSTQH-UHFFFAOYSA-N 351.410 2.717 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccn1C1CC1 241081939 YSWVDGRQJBCRDY-OXFYSEKESA-N 352.434 3.000 0 50 FFAA Cn1cc(Cl)cc1C(=O)N[C@H]1C[C@@H](c2cc(N3CCCC3)ncn2)C1 244719163 LYCHLQVDRYMVIS-XBXGTLAGSA-N 359.861 2.745 0 50 FFAA O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@H](c2cccc(O)c2)C1 183630326 GFYLBJCCXJBYMZ-HNNXBMFYSA-N 369.343 2.755 0 50 FFAA Cc1nc(CN2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)cs1 252479761 BMMXDFBPMPTADV-UHFFFAOYSA-N 367.478 2.524 0 50 FFAA Cn1nc(C(=O)NCCc2csc(-c3cccnc3)n2)c2c1CCCC2 299763461 WVTRZHDVHYZRPE-UHFFFAOYSA-N 367.478 2.790 0 50 FFAA COc1cc2nc(CN3CCc4ccsc4C3)nc(O)c2cc1OC 270829739 CKFMPZXURRGKNP-UHFFFAOYSA-N 357.435 2.972 0 50 FFAA CC(C)c1ccccc1C(=O)N=S1(=O)CCC2(CC1)CNCCO2 1875300989 ZIGQFYJSJRWSKQ-UHFFFAOYSA-N 350.484 2.571 0 50 FFAA O=C(N=[S@@]1(=O)CCC[C@@]2(CCCN2)C1)c1cnc(-c2ccco2)s1 1875393606 QFOCWINLVYNHQU-UPCLLVRISA-N 365.480 2.927 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccn(C)c3)CC[C@@H]2C1 1875407573 CUTXJUNPDMSFJW-WCWVYFQPSA-N 357.498 2.818 0 50 FFAA c1ccc(-c2nc(NC[C@H]3C[C@]4(CCNC4)CO3)c3ccsc3n2)nc1 1875404449 JCUNSVUGTOXUQN-YJYMSZOUSA-N 367.478 2.934 0 50 FFAA O=C(NC[C@H](c1ccccc1F)N1CCOCC1)N1CC[C@H](C2CC2)C1 1875266044 TVRYFJGSAXDCJR-QFBILLFUSA-N 361.461 2.641 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCCN2CCc3sccc3C2)cc1 1875373858 REKOTBJUPLASDC-UHFFFAOYSA-N 369.490 2.685 0 50 FFAA O=C(NCC1CN(C(=O)Cc2ccsc2)C1)c1ccc2cc[nH]c2c1 1875337346 SGFVCRYEWNHACU-UHFFFAOYSA-N 353.447 2.660 0 50 FFAA Cc1cc(NC(=O)CCC(=O)NC2CCCC2)ccc1N1CCCC1=O 952988312 QWROQGNMCXJTHA-UHFFFAOYSA-N 357.454 2.899 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(CCCc3cccc(F)c3)C2)ccn1 886059645 LUDCRDFLYQBROL-NRFANRHFSA-N 371.456 2.943 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2Nc2ncc(C(F)(F)F)cc2Cl)cn1 275728674 ZQLJZDPMCYDLOJ-YPMHNXCESA-N 373.766 2.919 0 50 FFAA Cc1cc(C)c2c(c1)CN(C(=O)C(=O)Nc1ccc([S@](C)=O)cc1)CC2 188235140 RRXMDFUWHXHEKH-SANMLTNESA-N 370.474 2.564 0 50 FFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2scnc2C(C)(C)C)C1 189094573 QQQLGCBFSAGAQH-WDEREUQCSA-N 350.444 2.734 0 50 FFAA CCN(C)c1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cn1 191215387 YNVRJSAVAVIRBV-CYBMUJFWSA-N 365.474 2.931 0 50 FFAA CN(C(=O)Nc1cnns1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 194328433 PUAGGURRWYZLOO-CMPLNLGQSA-N 359.238 2.967 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)[C@@H]2SCCc3ccccc32)C1 779857639 ZYPJZJXFTMGPQG-FVQBIDKESA-N 359.451 2.697 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)c1cnn(C)c1 1506397372 SQXUBXAFWIKRNE-LLVKDONJSA-N 357.863 2.820 0 50 FFAA CC1(C)CC(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC(C)(C)N1 1529189321 LVVMOJWLOJEIHG-QZTJIDSGSA-N 359.514 2.702 0 50 FFAA Cc1cc(C[C@@H]2CN(CCOc3ccc(OC(C)C)cc3)C[C@@H]2O)on1 1704302512 NRMDCSPGHAZALK-UZLBHIALSA-N 360.454 2.684 0 50 FFAA CCc1noc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)n1 219863175 GFUHIMYVZOYUIJ-ZBFHGGJFSA-N 374.510 2.749 0 50 FFAA Cc1nc2sccn2c1C(=O)N1CCC(Cc2ccc(O)nc2)CC1 1772707154 RIOSIKIFDWFGOK-UHFFFAOYSA-N 356.451 2.900 0 50 FFAA Cc1cc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3 1772704312 HOUMGDPUMNZPJM-IERDGZPVSA-N 352.434 2.959 0 50 FFAA COCCC(=O)N1CC[C@@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12438186 GQIJZQPOCYOYHH-HXUWFJFHSA-N 364.461 2.685 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 12762342 QONMVWPVFVJTRE-AWEZNQCLSA-N 361.467 2.646 0 50 FFAA CCc1nnc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 17016680 PZJBCVPVASKXPS-ZDUSSCGKSA-N 372.450 2.750 0 50 FFAA C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 18244604 MDEGNVHESXQNCJ-DFAYQTQMSA-N 353.205 2.835 0 50 FFAA Cc1nc2ccccc2nc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 19535199 ZWZQYTNTNLMMJE-SFHVURJKSA-N 356.514 2.853 0 50 FFAA OCCOc1ccccc1CN[C@H]1CCCN(C2Cc3ccccc3C2)C1 19732456 ZWHCYJPFVMYREU-NRFANRHFSA-N 366.505 2.779 0 50 FFAA O=C(CCCc1ccccc1Cl)N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O 1857531233 SQEYHOFJWHKXNJ-JLSDUUJJSA-N 361.873 2.815 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(C3CCNCC3)CC2)c1C 1857675774 IQMWCTMWNRKRLC-UHFFFAOYSA-N 361.486 2.660 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2ccc(OC)c(C)c2C)cn1 1857690590 FZRCTDWMJQJUEX-UHFFFAOYSA-N 367.453 2.887 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cc(O)nc2ccc(Br)cc12 237615569 SUTZBZCRJAXCJR-GXSJLCMTSA-N 364.243 2.655 0 50 FFAA C[C@H]1CCN(C(=O)c2cn(C3CCNCC3)nn2)[C@@H]1c1cccc(F)c1 237705179 TXZQVJUJCDOSKW-UGSOOPFHSA-N 357.433 2.565 0 50 FFAA CC(C)N1CCNC(=O)[C@H]1CC(=O)NCC1(c2ccccc2)CCCCC1 12588387 HFWYQIFRICLPPL-LJQANCHMSA-N 371.525 2.604 0 50 FFAA O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)C2 247377575 INKWFBGRLOOFGH-YWZLYKJASA-N 365.389 2.733 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)O)s1 391880964 JIHYHXPRPWVDTH-AWEZNQCLSA-N 351.449 2.738 0 50 FFAA O=C(Nc1cc(-c2nc(Cc3ccc4n[nH]cc4c3)no2)ccn1)C1CC1 809496908 QFMJGGAHBKHHLM-UHFFFAOYSA-N 360.377 2.947 0 50 FFAA O=C(O)c1csc(-c2cccc(CNC(=O)C3(O)CCCCC3)c2)n1 836757232 WKCOIODGRMOOQR-UHFFFAOYSA-N 360.435 2.820 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)Nc2nnc(SCC(C)C)s2)c1C 2100482226 JIYSGKSALWTTKJ-UHFFFAOYSA-N 367.500 2.941 0 50 FFAA O=C(NCc1n[nH]c2c1CCC2)C1(N2CCCCC2)Cc2ccccc2C1 12317611 FSBOXLGZFPUZED-UHFFFAOYSA-N 364.493 2.538 0 50 FFAA CC(C)(C)c1ccc([C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)c(F)c2)cc1 2325791135 XXPDDARXEUTQPK-ROUUACIJSA-N 374.456 2.548 0 50 FFAA CO[C@@H](C(=O)O)C1CN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 2325791847 CCOWDCFBBGVVCI-OAHLLOKOSA-N 369.343 2.627 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)Cn1c(C3CC3)nc3ccccc31)C2 2325799743 VKZPZGFSINMNJR-XPKDYRNWSA-N 353.422 2.625 0 50 FFAA O=C(O)[C@H](NCc1cnn(CC(F)(F)F)c1C1CC1)C1C[C@H]2C[C@@H]2C1 2325806815 ICKLTZHIMGZWTL-JTNHKYCSSA-N 357.376 2.912 0 50 FFAA CCC[C@H](C)C(=O)N[C@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325866973 GTXMAUYNAAMIFW-VQTPCSAVSA-N 351.535 2.697 0 50 FFAA O=S(=O)(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc(F)s1 2325870424 XMWGETBHUAZXCT-UONOGXRCSA-N 363.439 2.907 0 50 FFAA Cc1ncccc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc2cccnc2c1 2325870874 SQGAYZIWFAGPPR-KRWDZBQOSA-N 360.417 2.583 0 50 FFAA COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCCN(C(C)(C)C)C1=O)CC2 897508053 BGVYGKUJKOYSLR-SFHVURJKSA-N 358.482 2.660 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1 1147472 ZMOPZYYRSYXWBV-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1 1165031 ZDAJEZNGAHSZOK-UHFFFAOYSA-N 351.380 2.593 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(Cc3cnc(=NCc4ccccc4)[nH]c3)C[C@H]21 2356158250 WOODDOICSSGKNK-VWPQPMDRSA-N 366.509 2.884 0 50 FFAA COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 3105636 BYDNOHRNWGSTFD-CQSZACIVSA-N 362.451 2.797 0 50 FFAA Cc1ccnc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1 9114678 ISNXJHOWKLBDDM-UHFFFAOYSA-N 371.448 2.846 0 50 FFAA CCOC(=O)c1ccc(NC(=S)NCCn2cc(Cl)cn2)cc1 9206770 RKPBYYCVZDMBEF-UHFFFAOYSA-N 352.847 2.700 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1 9620450 DQLRKISYOFGRNW-UHFFFAOYSA-N 353.470 2.796 0 50 FFAA CNc1nc(C)c(C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)[C@H]2C)s1 55401771 BHQQWJNVCMSJLC-CQSZACIVSA-N 372.494 2.675 0 50 FFAA CN1C(=O)COc2cc3c(cc21)NC(=O)C[C@H]3c1ccnn1-c1ccccc1 65421470 KCANCRGTMKSZTF-OAHLLOKOSA-N 374.400 2.702 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)CCc2[nH]nc3c2CCCC3)CC1 67908496 LJGHAPMXYNQHKY-UHFFFAOYSA-N 367.497 2.663 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1c(C)nn(C(C)C)c1C)C2 67946289 OZWQBQDKPIILIQ-OAHLLOKOSA-N 373.501 2.985 0 50 FFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(N3CCN(C)CC3)cc2)c1 65419536 CZBNOMXDGQONKO-GOSISDBHSA-N 366.509 2.845 0 50 FFAA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)C1CCCCC1 20057601 OTJYPYXEFQEWRU-UHFFFAOYSA-N 356.470 2.887 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](CNCc2csc(C3CC3)n2)CC(=O)N1C 328625207 KLJIFLQQDVVUPL-KBXCAEBGSA-N 373.526 2.680 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C[C@@H](O)c2ccccc2F)n1C 328632571 LKVQZGOAEWXMBI-PKOBYXMFSA-N 359.445 2.784 0 50 FFAA Cc1cc(-c2cc(C(=O)N[C@H]3CCCNC3)c3c(C)noc3n2)c(C)o1 123917116 JFAZVBOHCXRKQQ-ZDUSSCGKSA-N 354.410 2.890 0 50 FFAA CCOc1cc(CN2CCN(CC(C)C)[C@H](CCO)C2)ccc1OC 39442027 AYORRDXEBDOQDO-GOSISDBHSA-N 350.503 2.619 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 11934627 DXIATCQSOXBJSM-SFHVURJKSA-N 369.509 2.825 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cncc(O)c2)C1 332382834 ZALRNXXTZDHGSS-JTQLQIEISA-N 354.332 2.559 0 50 FFAA O[C@@H]1CCCN(c2ncccc2CNCc2cccn2-c2ccccn2)C1 12076291 IUICFGLARBFYRP-LJQANCHMSA-N 363.465 2.518 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77353818 HABJXWPTTJELJG-MRXNPFEDSA-N 370.434 2.799 0 50 FFAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(OCc2ccccc2)n1 488528813 NDYZCHYLVQMSLD-RDJZCZTQSA-N 351.410 2.731 0 50 FFAA CC(C)(C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1)S(=O)(=O)C1CC1 284605371 IBLLFXOXLXVPFP-HNNXBMFYSA-N 371.886 2.596 0 50 FFAA CCn1ccc2cc(CN3CCC[C@]4(CCC(=O)N(CCO)C4)C3)ccc21 77534851 AECYYMVPKCBGLK-QFIPXVFZSA-N 369.509 2.858 0 50 FFAA CN(C)CCn1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)cn1 130211930 YLHODOAVERHAHK-UHFFFAOYSA-N 351.410 2.884 0 50 FFAA Cc1cccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)c1 72437088 VBVITZOHVBEVME-UHFFFAOYSA-N 354.450 2.636 0 50 FFAA Cc1nnc2ccc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)nn12 32096088 QFHGHSRXJZCYGX-QGZVFWFLSA-N 368.485 2.656 0 50 FFAA Cc1nc2c(c(N3CCC(F)CC3)n1)CCN(C(=O)c1ccoc1)CC2 72424158 GEBLSBMVDQKOJE-UHFFFAOYSA-N 358.417 2.557 0 50 FFAA Cc1noc(C)c1CCNc1nc(-c2ccco2)nc2c1CCNCC2 72440177 ONPZBIADDIGFCA-UHFFFAOYSA-N 353.426 2.684 0 50 FFAA COc1cc(NC(=O)N2CC[S@](=O)C(C)(C)CC2)cc(OC)c1C 459590228 JMPXEBFPXMZFLJ-DEOSSOPVSA-N 354.472 2.777 0 50 FFAA CCn1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c(C)n1 20607144 NAWZTNMRTDBNFZ-KRWDZBQOSA-N 363.425 2.731 0 50 FFAA CCN1CC2(CCN(Cc3noc(C)n3)CC2)C[C@H](c2ccccc2)C1=O 96152908 PXPMZQMASOYSHR-GOSISDBHSA-N 368.481 2.996 0 50 FFAA CC(C)C(=O)Nc1cc(NC(=O)N[C@@H](C)c2nnc(N)s2)ccc1F 95519906 HLKFIQVCILSJHG-QMMMGPOBSA-N 366.422 2.737 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3Cc4ccccc4C[C@H]3C(=O)O)c2c1 237459859 YOPPYUAEIJQPPM-IBGZPJMESA-N 364.401 2.757 0 50 FFAA COc1cccc(C(=O)Cn2cc(-c3ccc4c(c3)OCO4)n(C)c2=N)c1 334157539 IHCOJQZAYKRHBZ-UHFFFAOYSA-N 365.389 2.593 0 50 FFAA Cn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1 97758760 JYXHZDNTBJUJNH-UHFFFAOYSA-N 362.422 2.563 0 50 FFAA CC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(Cl)cn3C)cc2)CC1 181361554 YUERRGJHHIELFA-UHFFFAOYSA-N 374.872 2.595 0 50 FFAA CN1CCC[C@H](CN2CCN(Cc3cc(O)c4cc(F)ccc4n3)CC2)C1 91997739 QJJOZMDONPEOGA-INIZCTEOSA-N 372.488 2.539 0 50 FFAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)N[C@@H](CN)C1CCCC1 841983853 FLJGFLLJQBGSIX-KDOFPFPSSA-N 374.485 2.863 0 50 FFAA COc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc(OC)c1OCCCN 299763286 ZPAWVCONLPKLMZ-MDBPOYHNSA-N 374.481 2.550 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1OCCCN 299776494 CFLSSQVMNVWNDM-KRWDZBQOSA-N 354.454 2.532 0 50 FFAA CCC(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OCc1cccnc1 299797304 PRUKOOYSLUOILH-RTWAWAEBSA-N 365.477 2.869 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)c(OC)cc1C)C2 299766320 IMKOHTOITASPOZ-UHFFFAOYSA-N 356.470 2.551 0 50 FFAA N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 828116135 VNRXMWCCPPMXIS-HNNXBMFYSA-N 372.856 2.541 0 50 FFAA CSCc1nc(CCNC(=O)N[C@@H](C)[C@H](O)c2ccccc2)cs1 584891191 DPPLDYCTBOERST-LRDDRELGSA-N 365.524 2.970 0 50 FFAA CC(C)N(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1cc2ccccc2s1 907247897 UGZLXODDZPIOQB-ZDUSSCGKSA-N 352.481 2.579 0 50 FFAA Cc1noc(C)c1CCC(=O)NCCc1nc(O)c2c(C)c(C)sc2n1 670434372 GNZOXNDAAPLWDX-UHFFFAOYSA-N 374.466 2.910 0 50 FFAA Cc1nccc(N2CCN(C(=O)c3ccccc3OCC3CC3)CC2)n1 185432651 FVMZYDONLPOARS-UHFFFAOYSA-N 352.438 2.536 0 50 FFAA CCc1ccccc1NC(=O)CN(C)C(=O)Cc1c[nH]c2cccnc12 1875300946 XAJYFEODVSIAFT-UHFFFAOYSA-N 350.422 2.765 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1cc(OCc2ccccc2)ncn1 1875398147 DFJPDOPHZNPWKE-KZNAEPCWSA-N 365.437 2.504 0 50 FFAA C=CC(=O)NC1(CNC(=O)[C@H]2Cc3ccccc3CO2)CCCCCC1 1875386266 MBKASKAWKKGHMK-GOSISDBHSA-N 356.466 2.639 0 50 FFAA NC(=O)c1cccc(Oc2ccc(NC(=O)[C@@H]3NC[C@@H]4CCC[C@@H]43)cc2)c1 1875287411 JFIWXMFNMDOEPL-ZOCIIQOWSA-N 365.433 2.904 0 50 FFAA Cc1ccnc(C2CCN(C(=O)/C=C/c3ccc(C(=O)O)cc3)CC2)n1 1875296551 CXNFOBUQGYNTMY-QPJJXVBHSA-N 351.406 2.903 0 50 FFAA CCc1nccn1CCC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 952973747 DOGAFULBKOORLB-UHFFFAOYSA-N 368.481 2.778 0 50 FFAA O=C(c1ccc(-c2ncn[nH]2)cc1)N1CC[C@@H](Oc2cccc(F)c2)C1 186362606 TZZJHROSMCOYPP-QGZVFWFLSA-N 352.369 2.904 0 50 FFAA CC(=O)Nc1cc(C(=O)NCCc2nn(C)c3ccccc23)ccc1C 170599119 MIIMOYQOLZVBBY-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA O=C(C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)N1CCC(c2nnc(S)n2C2CC2)CC1 225420661 CXRRLNCSOLIANY-DDHJSBNISA-N 358.511 2.900 0 50 FFAA CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(C(C)=O)cn1C 225400135 PXQOFXKFSJUUHR-GFCCVEGCSA-N 351.447 2.603 0 50 FFAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCc1ccsc1 190241702 IKZMGNRZWRTQBP-FQEVSTJZSA-N 373.522 2.569 0 50 FFAA O=C(NCc1nc2cccnc2[nH]1)c1cc(N2CCCC2=O)ccc1Cl 190228553 PQBVXWUBKZYNFY-UHFFFAOYSA-N 369.812 2.668 0 50 FFAA CCn1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1=O 194803369 TWYPXTQBAUWXTD-GFCCVEGCSA-N 354.410 2.636 0 50 FFAA CC(C)(C)C[C@@H](Nc1cncc(C(=O)N2CCOCC2)n1)c1cccnc1 1506430633 XXLSYPZJPVOOOJ-MRXNPFEDSA-N 369.469 2.933 0 50 FFAA CN(C)C(=O)c1cncc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 1506396604 CSFJBVXMAMAIFQ-CYBMUJFWSA-N 351.410 2.704 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)NCC(C)(C)N(C)C)cc1Cl 1506430158 XYXICXRQOLJGOG-UHFFFAOYSA-N 355.287 2.621 0 50 FFAA CCc1cc(N2CCN(Cc3cccnc3)CC2)nc(N2CCCCC2)n1 1529160118 YGILFGGRJLXSGF-UHFFFAOYSA-N 366.513 2.747 0 50 FFAA Cc1nc(C)c(CC(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c(O)n1 1529187136 OPGARMWYZBOQSN-MOPGFXCFSA-N 369.465 2.966 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OC)cc1OC)C2 219736325 VMKWNOHQQWTVIX-KGLIPLIRSA-N 361.442 2.569 0 50 FFAA Cn1ccc(C2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1=O 1772813684 OKDJZOBEHMRPNJ-UHFFFAOYSA-N 355.482 2.822 0 50 FFAA Cc1ccc(CN(C)C(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)o1 11935981 GJXHMNVLDSVRMG-UHFFFAOYSA-N 369.377 2.891 0 50 FFAA COc1ccccc1CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 14974920 ZVRDVMCWUGQLIJ-INIZCTEOSA-N 372.852 2.808 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1Cc1ccsc1 19743237 YISVGGTYNGOTST-GOSISDBHSA-N 374.506 2.588 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1cccc2c1CCOC2 1857527478 VAEDQSIIXBFLPC-QZTJIDSGSA-N 354.454 2.567 0 50 FFAA CN(C)C(=O)C[C@H]1CN(Cc2cccc(Cl)c2C(F)(F)F)C[C@@H]1O 1857531596 NNUHDGIWTKLGMC-AAEUAGOBSA-N 364.795 2.630 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3cccc(C4=NCCN4)c3)c2n1 1857695883 CMPQYJZGBUJUGB-UHFFFAOYSA-N 357.421 2.549 0 50 FFAA Fc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2-c2ccco2)CO3)cc1F 1857706731 OUZRNECYBTVPLY-IBGZPJMESA-N 372.375 2.991 0 50 FFAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCc1ccc(C(=O)O)cc1 225441843 CXALHVAMWHWOOR-UHFFFAOYSA-N 370.796 2.857 0 50 FFAA COc1ccccc1CN(CCO)C(=O)C[C@@H]1CCOc2ccccc21 117971247 YHZWQHYLEASWAG-INIZCTEOSA-N 355.434 2.973 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1oc3ccc(C)cc3c1C)C2 247846098 MRPHUBXSVZBRPE-CVEARBPZSA-N 370.449 2.759 0 50 FFAA COc1ccccc1N1CCC(NC(=O)c2csc(NC(C)=O)n2)CC1 138670706 VORQVVIFEQYSFW-UHFFFAOYSA-N 374.466 2.509 0 50 FFAA Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)O 34443919 UKRBNYGJOCAJEL-UHFFFAOYSA-N 362.386 2.661 0 50 FFAA in-vitro Cc1ccc(C(=O)N2CCN[C@H](c3cnn(C)c3)C2)cc1C(F)(F)F 913475871 OYKHWTDCTMGDRM-HNNXBMFYSA-N 352.360 2.534 0 50 FFAA Cc1sc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)c(C(N)=O)c1C 857582467 LGPOGWZXVUJAII-VIFPVBQESA-N 360.361 2.793 0 50 FFAA Cn1ncc2ncc(C(=O)N3Cc4cnc(-c5ccccc5)nc4C3)cc21 2100483216 BLEJDAPOCQKQKM-UHFFFAOYSA-N 356.389 2.581 0 50 FFAA CO[C@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@@H]1NC1Cc2ccccc2C1 2100556780 HLPYQBXVCGZIIG-JBACZVJFSA-N 356.510 2.940 0 50 FFAA CC(C)[C@H](CNS(=O)(=O)CC(C)(C)C(C)(F)F)c1ccnn1C 2325776239 FQDZTRONLVIYFL-LBPRGKRZSA-N 351.463 2.761 0 50 FFAA CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C1)C(F)F 2325787021 WDAJDBBINDXWFE-CQSZACIVSA-N 361.392 2.857 0 50 FFAA CCN(C(C)C)S(=O)(=O)NCc1c(C(=O)O)sc2ccccc12 2325874421 MFFVORPUNBUMJC-UHFFFAOYSA-N 356.469 2.664 0 50 FFAA CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)Nc1nccc2nncn12 2356149514 FMPIESVOAOEPRD-CYBMUJFWSA-N 363.425 2.872 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc3cc(C)ccc3n2C)CC[C@@H]1O 2356162230 CKPWTNKGKDWUCF-FXAWDEMLSA-N 358.438 2.565 0 50 FFAA COC(=O)c1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1 6715711 QOERFQNNUOOUBR-UHFFFAOYSA-N 357.385 2.966 0 50 FFAA COc1ccccc1N1CCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 10165475 NWHYBXJCXCHCOG-UHFFFAOYSA-N 368.433 2.705 0 50 FFAA O=[S@](Cc1csc(C2CC2)n1)Cc1nc(O)cc(C(F)(F)F)n1 134439259 GDLUBAUTOHTTIK-QHCPKHFHSA-N 363.386 2.984 0 50 FFAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccccc1OCc1ccc(F)cc1 282156800 PXTDYJOSHNFJTC-SUMWQHHRSA-N 356.397 2.802 0 50 FFAA COc1ccccc1N1CCN(c2nc(C)c3c(n2)C[C@@H](C)CC3=O)CC1 9061158 HZEDTSAUOJTJPW-CQSZACIVSA-N 366.465 2.885 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)cc1 57291666 LWDSOORANXVWMF-UHFFFAOYSA-N 358.369 2.559 0 50 FFAA Cc1ccc(C(=O)NCC2(CO)CCOCC2)cc1NC(=O)C1CCCC1 55089380 SKZYMOLJBCZPNG-UHFFFAOYSA-N 374.481 2.643 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)CCOc3ccccc3C)CC2)nc1 67973708 AETGIWFZQPTGOB-UHFFFAOYSA-N 354.450 2.978 0 50 FFAA Cc1ccc2c(C(=O)N(C)Cc3nonc3C)cc(-c3cncnc3)nc2c1 63883722 OZUDDMWTLXAZMG-UHFFFAOYSA-N 374.404 2.964 0 50 FFAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccc(CO)cc3)[nH]c2C1 65418171 PMRLRTBMPZUYMK-HNNXBMFYSA-N 363.417 2.647 0 50 FFAA CN(C(=O)CCN1CCCC1=O)[C@H]1CCCN(CCCc2ccccc2)C1 67739795 APSGCSWHFHDUAF-FQEVSTJZSA-N 371.525 2.555 0 50 FFAA Cc1cccc2c(C(=O)N(C)[C@@H]3CCN(C)C3)cc(-c3cnn(C)c3)nc12 63832814 SUCAIJLBKSIAOD-MRXNPFEDSA-N 363.465 2.720 0 50 FFAA O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 122535326 QEAFYUGVQKTAER-AZUAARDMSA-N 369.509 2.731 0 50 FFAA C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc(NC(=N)O)cc1 328592965 KDSIKAOJQZEMGF-BETUJISGSA-N 360.458 2.699 0 50 FFAA Cn1cncc1[C@H]1C[C@H](Nc2ncnc3c2cnn3C(C)(C)C)CCO1 328618735 DZRLNTUGEBQDHR-IUODEOHRSA-N 355.446 2.647 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCCN(Cc2ccc(F)cc2)CC1 126816646 WGTJKAUFOAYVLE-UHFFFAOYSA-N 356.445 2.707 0 50 FFAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)cc1 65365890 XOIXKSNFFCCJNX-UHFFFAOYSA-N 351.384 2.560 0 50 FFAA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 124281064 RBEDDNQJWCUKIO-HZPDHXFCSA-N 353.484 2.756 0 50 FFAA CC(=O)N1CC[C@H](NC(=O)CCc2nnc(C(C)C)o2)c2ccccc21 366953843 HBEXGNSBVJNVBS-HNNXBMFYSA-N 356.426 2.740 0 50 FFAA CC(C)N1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)Cc2ccccc21 369655528 PDDZCZDGAIGRDM-INIZCTEOSA-N 354.454 2.784 0 50 FFAA COc1ccc(C[C@H](C)C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1OC 378586780 GAWUIBHUZTWPTJ-SZMVWBNQSA-N 360.498 2.968 0 50 FFAA Cc1c(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cnc2ccnn12 72409292 AJWGZHJFCMGWFE-MRXNPFEDSA-N 355.486 2.955 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CCC(C(=O)O)CC1 237675386 HVJOPQMLVOMJSW-JTQLQIEISA-N 356.216 2.540 0 50 FFAA COCCOc1ncccc1NC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 157824043 QVJOYTCCRWTIBO-CRAIPNDOSA-N 374.485 2.587 0 50 FFAA COc1ccccc1OCc1nn2c(CN3CCCCC3)nnc2s1 39389241 YUIOTYMWYOZKRJ-UHFFFAOYSA-N 359.455 2.759 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCN(c2cc(F)ccc2F)CC1 175426828 XJSVGYHCPMNWAP-UHFFFAOYSA-N 372.419 2.922 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)C1 77470802 DVDGZPVWAYYSHN-INIZCTEOSA-N 363.421 2.545 0 50 FFAA Cc1nc(CN2CCC[C@](O)(CNC(=O)c3cccs3)CC2)cs1 72151258 ZHJPNCIPIXJNDY-QGZVFWFLSA-N 365.524 2.660 0 50 FFAA Cc1nonc1[C@@H]1CCCN1C(=O)c1cn(C/C=C/c2ccccc2)nn1 72147384 ROWFTZXHWKINEU-MPNRVQBSSA-N 364.409 2.660 0 50 FFAA O=C(O)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1 263403959 IZVYDWGLAAVAEU-GUDVDZBRSA-N 350.418 2.631 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCN(CCSC)CC3)c2)cn1 426477141 AVIAWUJSYMAUEG-UHFFFAOYSA-N 371.506 2.878 0 50 FFAA O=C(Cc1ccccn1)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82109320 OYDHVQVFXNRFEO-UHFFFAOYSA-N 367.497 2.675 0 50 FFAA COc1ccccc1OCCN1C(=O)C2(CCNCC2)Nc2ccccc21 82160567 CAOHCACKNUHXDQ-UHFFFAOYSA-N 367.449 2.655 0 50 FFAA CN1CCC(CC(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)CC1 426504011 OEIFSAYZISOEAR-NRFANRHFSA-N 367.493 2.876 0 50 FFAA COCCN(Cc1ccccc1OC)C(=O)N[C@H](C)c1c(C)n[nH]c1C 426412360 IWDCJLBCSHGFBM-CYBMUJFWSA-N 360.458 2.954 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 426529425 RADIAVPBHXVTSA-GOSISDBHSA-N 359.449 2.538 0 50 FFAA CCN1CCC[C@H](CNC(=O)N(CCO)Cc2ccccc2Cl)C1 426369175 KRZMBQQNBNDPDW-OAHLLOKOSA-N 353.894 2.576 0 50 FFAA O=C(NCC1CCN(c2ccncc2)CC1)Nc1cnc(C2CC2)nc1 180843687 WEQWLLPLUPFHEZ-UHFFFAOYSA-N 352.442 2.787 0 50 FFAA CCOC(=O)N1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1 95508015 UAJHWQNMXBPIGQ-UHFFFAOYSA-N 368.437 2.547 0 50 FFAA CCc1nc2ccc(NC(=O)NC[C@@H](O)COC3CCCCC3)cc2[nH]1 96163565 UZSBBWKXPOCLJE-CQSZACIVSA-N 360.458 2.957 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C)cc1C)CC2 91526169 ZMJOXTMBVOKCGT-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA O=C1CCc2cc(C(=O)N3CCO[C@H](Cc4ccccc4)C3)c(F)cc2N1 181171446 ZQVWLFLQPVYHPO-MRXNPFEDSA-N 368.408 2.794 0 50 FFAA CCc1ccc(CCCC(=O)N2CCC3(CC2)CN[C@@H](C(=O)O)C3)cc1 91663207 DYYHYESRBQOFGS-GOSISDBHSA-N 358.482 2.627 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)n2)cc1 268950814 SUWQTTWPQCYDOG-VHSSKADRSA-N 369.421 2.739 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cn3cc(C)ccc3n1)C2 95386366 BFHKSBQXMCHJAO-DLBZAZTESA-N 366.465 2.672 0 50 FFAA CC[C@H](C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)n1cccn1 91725918 PYNHCFVSHBQOIB-GOSISDBHSA-N 362.424 2.893 0 50 FFAA CCC[C@@H](NC(=O)Nc1cc(-c2nnn(C)n2)ccc1C)c1nccn1C 97546543 OQJSEHSCADOKFV-CQSZACIVSA-N 368.445 2.582 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CCOc2ccccc2C1 95499904 VYTYZEGAISFDBV-IBGZPJMESA-N 372.509 2.779 0 50 FFAA CC(C)Oc1cccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 91391456 PJPHOXVVSZHZEZ-QGZVFWFLSA-N 358.482 2.924 0 50 FFAA Cc1noc([C@H]2CCCCN2CCN2CCN(c3ccccc3)CC2)n1 244900186 ZXTCIBYBLGEPEP-LJQANCHMSA-N 355.486 2.727 0 50 FFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(=O)c1ccoc1C)CC2 299742651 ICAGESDFAONBKQ-HNNXBMFYSA-N 359.378 2.820 0 50 FFAA Cc1cc(O)c2cccc(C(=O)N3CCC(N4CCSCC4)CC3)c2n1 253537236 GLFLSTHONRLXDJ-UHFFFAOYSA-N 371.506 2.902 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N(C)Cc2n[nH]c3c2CCC3)cc1OC 534583367 PQSGTHNFSWKENL-GFCCVEGCSA-N 358.442 2.818 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)NCCCc2ccco2)CC1 534634167 HBDGFWZVPBHHDP-UHFFFAOYSA-N 356.470 2.913 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)NCCOc1cccc2cccnc12 534588161 ADSRBVVJNXYIRQ-UHFFFAOYSA-N 367.453 2.806 0 50 FFAA CCOc1ccc([C@@H]2Cn3nnc(-c4nc(C)no4)c3CO2)cc1Cl 263619431 YPYJDUSDMZFODI-AWEZNQCLSA-N 361.789 2.960 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)N1CCC2(CCOCC2)CC1 299796290 OQDLFJRABNIXQZ-UHFFFAOYSA-N 350.434 2.586 0 50 FFAA COCCNc1nc(-c2c(C)noc2C)cc(-c2c(C)nn(C)c2C)n1 824444986 OJIAKRCVIIJHIF-UHFFFAOYSA-N 356.430 2.824 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)NC[C@@H]1CCN(C2CCCCC2)C1 584888318 RDOBZBLDYLOALU-KRWDZBQOSA-N 361.534 2.833 0 50 FFAA CC(C)n1ncnc1-c1ccc(C(=O)NC[C@@H](O)c2ccc(O)cc2)cc1 584895329 CTPABAYIQAFJMR-GOSISDBHSA-N 366.421 2.695 0 50 FFAA COc1cccc(CN(Cc2cccnc2)C(=O)[C@@H]2CCCN2C)c1OC 824527050 QTRQBLNNEVBGJB-SFHVURJKSA-N 369.465 2.722 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)C1 670467096 YLGVTXCYALCMSA-GOSISDBHSA-N 368.543 2.935 0 50 FFAA COC(=O)/C=C/CCNC(=O)Cc1sc(C)nc1-c1cccs1 1875311650 ITRGOVQAEYRKMC-XVNBXDOJSA-N 350.465 2.958 0 50 FFAA O=C(N[C@@H](CO)CCc1ccncc1)c1cccc(CC(F)(F)F)c1 1875327195 UJQXWWDXXFLLHP-MRXNPFEDSA-N 352.356 2.910 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1 1875370945 JNIXCBZCNLUNFN-IIBYNOLFSA-N 356.466 2.610 0 50 FFAA COc1cc(-n2cnnn2)ccc1NC(=O)c1ccc([C@H]2CCCO2)s1 952965828 UPYVGUQBYHDMNG-CYBMUJFWSA-N 371.422 2.836 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 952979312 ZXSQNANHIKUCLV-HNNXBMFYSA-N 374.462 2.682 0 50 FFAA Cc1nc(C)n(CCCNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)n1 952988742 OOWMRRQXJUQVCR-LJQANCHMSA-N 373.476 2.768 0 50 FFAA COCC(=O)Nc1ccc(OC)cc1NC(=O)Cc1ccc(F)cc1F 952973639 LXCIMKHXUZPMSA-UHFFFAOYSA-N 364.348 2.740 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)Nc1ccccc1OC[C@@H]1CCCO1 952986198 XUYKSWQFQOTBNT-AWEZNQCLSA-N 356.426 2.661 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H](c3cnn(C)c3)C2)ncn1 275508819 BNFHGPBWDPWUCS-SYNHAJSKSA-N 370.501 2.820 0 50 FFAA O=C(NS(=O)(=O)Cc1ccccc1Cl)c1cc2c(s1)CCOC2 170656515 LTQWEUOGXYTNAA-UHFFFAOYSA-N 371.867 2.734 0 50 FFAA CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)O)c1 170672176 OXJDSSVUJVMFHX-QGZVFWFLSA-N 372.396 2.990 0 50 FFAA C[C@H](OC(=O)c1cccc2nn[nH]c12)C(=O)N[C@@H](C)c1ccc(F)cc1 170610709 DQGGKZHQHZEOFR-QWRGUYRKSA-N 356.357 2.520 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCCC[C@@H]1c1ccncc1 171021001 ISOAXBDNLMKISM-GOSISDBHSA-N 373.478 2.795 0 50 FFAA CCn1cc([C@@H]2CN(Cc3nc(-c4ccc(F)c(C)c4)no3)CCO2)cn1 190803806 DAHRMOGOSYOHBZ-KRWDZBQOSA-N 371.416 2.974 0 50 FFAA O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@]2(CCCOC2)C1 790669112 IUNZILPNXMAQQT-QFIPXVFZSA-N 371.525 2.906 0 50 FFAA CCCn1ncc(C(=O)N2C[C@H](c3cccc(F)c3)[C@@H](C(=O)O)C2)c1C 222020723 SDRDTRRIBRINKN-SJORKVTESA-N 359.401 2.681 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704328542 KVSKYNZLEWDDCN-MOXGXCLJSA-N 357.450 2.683 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCCN(Cc2cc(F)cc(Cl)c2)CC1 1775982769 YEJAPBZXHUIMSD-UHFFFAOYSA-N 350.825 2.859 0 50 FFAA CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12022690 TWYRNJZCFAACKL-QGZVFWFLSA-N 371.506 2.973 0 50 FFAA O=C(CCN1CCCO1)N[C@H]1CCCc2c1cnn2-c1ccccc1F 12093939 BPAGREQCQBOURS-INIZCTEOSA-N 358.417 2.532 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)N1CCN(CCO)CC1)c1ccccc1 15066440 ZSCKSYIYZAYWAF-NRFANRHFSA-N 352.478 2.654 0 50 FFAA CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 16649225 JLVMZUKATADKJL-UHFFFAOYSA-N 356.513 2.723 0 50 FFAA O=C(Cc1ccccc1)N[C@@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19832562 IOXWBMLEUDAWKM-GXTWGEPZSA-N 365.688 2.810 0 50 FFAA NC(=O)[C@@H]1CCCN(CCCn2ccnc2-c2cccc3ncccc23)C1 1857687900 KXXGHBLMJJMVBA-MRXNPFEDSA-N 363.465 2.686 0 50 FFAA CCN1CCC2(CC1)OCCc1sc(C(=O)NCc3cccnc3)cc12 1857703819 SQIHLYOGZLBRDY-UHFFFAOYSA-N 371.506 2.957 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(Cc3cccc(Cl)c3F)C[C@]23CC[C@H]1O3 1857735897 DABRMBYKXNNURL-GARXJVFOSA-N 352.837 2.595 0 50 FFAA O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[C@@H](n2cncn2)C1 114209768 GCHGCOHBCHVBCJ-MRVPVSSYSA-N 367.283 2.672 0 50 FFAA C[C@@H]1OCC[C@@]12CN(C(=O)NCC1(c3ccc(F)cc3F)CC1)CCO2 366319576 SQRMUEIZRLUNGN-ORAYPTAESA-N 366.408 2.586 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)c1cccnc1N1CCCC1 264221354 VWVSQUBFWBTBMD-UHFFFAOYSA-N 356.495 2.990 0 50 FFAA CCc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)nc1 1704329950 DPUUXUODXKBFOT-TZIWHRDSSA-N 354.450 2.524 0 50 FFAA Cc1ccc2cc(CNC[C@H]3C[C@H](c4n[nH]c(C)n4)C[C@H]3O)ccc2n1 828125610 LZMXFBLPTPSVTD-YQVWRLOYSA-N 351.454 2.614 0 50 FFAA CCCN1CCN(c2ccccc2CNC23CC(CC(=O)O)(C2)C3)CC1 2325799707 RBHCWLYAPVHULI-UHFFFAOYSA-N 357.498 2.706 0 50 FFAA COC(=O)c1nc(N2CCN(c3ccc(O)cc3)CC2)c2sccc2n1 2325802218 QMBSCQGGUYOHQX-UHFFFAOYSA-N 370.434 2.510 0 50 FFAA CCn1ncc(Cl)c1CN1CCC(c2ccc3nnc(C)n3n2)CC1 2325803909 JNVRGOKAFMFPBY-UHFFFAOYSA-N 359.865 2.682 0 50 FFAA Cc1ncn(CCNC(=O)N(C)Cc2nc(C)c3ccccc3n2)c1C 2325811421 YHBJESJEXCQFOB-UHFFFAOYSA-N 352.442 2.593 0 50 FFAA CC(C)C[C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)C(F)(F)F 2325820571 BWPRHCHSLGHKSS-CQSZACIVSA-N 365.417 2.942 0 50 FFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)c1C 790651 LCBCQOLFFZEVCA-UHFFFAOYSA-N 372.406 2.740 0 50 FFAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)cc1F 1077483 XFATXUQEJIKGPL-UHFFFAOYSA-N 357.414 2.837 0 50 FFAA Cc1nn2c(NCCOCCO)c3c(nc2c1-c1ccccc1)CCC3 2328068 BBWMHWADVWVUMF-UHFFFAOYSA-N 352.438 2.614 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C2CCN(Cc3ccccc3)CC2)CC[C@@H]1O 2356135964 AHTLEJKQEYTTPI-PZJWPPBQSA-N 360.498 2.589 0 50 FFAA CCCC(=O)N[C@@H](Oc1cccc(C(N)=O)c1)C(Cl)(Cl)Cl 2701993 LLUCJYDDOTYOJO-LBPRGKRZSA-N 353.633 2.777 0 50 FFAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3cc(-c4ccccc4)on3)C[C@H]2CC1=O 2356145233 HGYFFJQVWNYQQR-XHSDSOJGSA-N 353.422 2.671 0 50 FFAA CCCn1nc(N(Cc2ccc(-n3cccn3)cc2)S(C)(=O)=O)cc1C 2356154955 QWOHBTUNNIEXQR-UHFFFAOYSA-N 373.482 2.753 0 50 FFAA CCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2814292 WOLBFDHFEIOVGS-UHFFFAOYSA-N 366.870 2.667 0 50 FFAA CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC 3077573 FFCREVYRHWHYCJ-BLLLJJGKSA-N 358.394 2.849 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 6760140 FCNGITDINMGTCP-CABZTGNLSA-N 374.388 2.981 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Cn2c(=O)sc3ccccc3c2=O)C1 282194292 LBBYBHMAKULBKU-CQSZACIVSA-N 366.442 2.586 0 50 FFAA O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1F 8289061 OVAFTPMBIGWGGG-UHFFFAOYSA-N 356.806 2.786 0 50 FFAA O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCN(C2CCCC2)CC1 172555368 HCMGYZZDKFAREO-UHFFFAOYSA-N 357.429 2.758 0 50 FFAA Cc1cc(-c2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c(C)o1 20782887 IROWSQBYOQRGDL-UHFFFAOYSA-N 372.469 2.966 0 50 FFAA CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCC(=O)Nc1ccccc1C 55393331 JIYQPOMOWLBOIS-SJORKVTESA-N 373.497 2.772 0 50 FFAA Cc1ccc(C)c(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1 67880173 MAAYDBAYERELTI-HSZRJFAPSA-N 366.505 2.989 0 50 FFAA CCC[C@]1(C2CCN(C(=O)Nc3c(C)cccc3C)CC2)NC(=O)NC1=O 67605643 XFVUEMBTWHNJQE-HXUWFJFHSA-N 372.469 2.926 0 50 FFAA CN(Cc1ccccc1)C1(CNC(=O)c2ccnn2C)Cc2ccccc2C1 20779124 GXEAXOBTWGYVKF-UHFFFAOYSA-N 374.488 2.820 0 50 FFAA CCc1nccc(-c2c(-c3ccccc3)ncn2CCN2CCOCC2)n1 65375001 UWMHNJCOFZCLRW-UHFFFAOYSA-N 363.465 2.902 0 50 FFAA COC(=O)c1c(C)nc(O)nc1S[C@H](C)c1cn(-c2ccccc2)nn1 471237520 BXCOOPIQEZRPLN-LLVKDONJSA-N 371.422 2.711 0 50 FFAA C[C@H](O)C[C@H]1CCCCN1C[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 252551321 UBWWTEMPVKTDSG-MVBLQPKNSA-N 351.531 2.982 0 50 FFAA COc1ccnc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 329398440 VGFUWBJHOKJWFO-HSALFYBXSA-N 352.434 2.664 0 50 FFAA Cc1cnn(-c2ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)cc2)c1 125275123 LITMBWIYPNMFFC-UHFFFAOYSA-N 356.470 2.851 0 50 FFAA C[C@@H](NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@@H]1CCCO1 2778257 LEUGHDDERXVQFI-OTYXRUKQSA-N 350.369 2.842 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)Cn3nc(C)c(C)c3C)CC2)o1 216006595 QYLODRRTQPPVER-UHFFFAOYSA-N 358.486 2.738 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCC[C@@H](N(C)C)CC3)n2)c1 72165795 GHZHCUUEDWYACS-QGZVFWFLSA-N 356.470 2.920 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)n1 77425054 HWWUFNPMUHTVOC-UHFFFAOYSA-N 361.858 2.925 0 50 FFAA Cc1cnn(CCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 71730507 XBRABWRBSNOEFL-KSEOMHKRSA-N 364.493 2.670 0 50 FFAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)c1ccc(Br)cc1 238092654 BKBQVFXSLUZUHU-CYBMUJFWSA-N 356.216 2.508 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CCO1 238143448 AKEXRYUDGSQVCB-LJQANCHMSA-N 364.401 2.615 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC1CC(O)(Cc2cccc(F)c2)C1 372420601 HUBRJSFJFZSZDK-FXWLBKQDSA-N 359.445 2.912 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N[C@@H]3CC(=O)N(Cc4cccc(F)c4)C3)c2c1 72149991 BRVZLFXMSTVRLE-OAHLLOKOSA-N 366.396 2.541 0 50 FFAA O=C(CN1CCC[C@H]1C(=O)O)NCc1ccc(-c2ccc(Cl)cc2)o1 262686819 YERGFAPAZOSQRQ-HNNXBMFYSA-N 362.813 2.765 0 50 FFAA COc1cc2c(cc1CNc1nc(C(C)C)nc3c1cnn3C)OCCO2 72162316 WTLPLOCGBGAMDS-UHFFFAOYSA-N 369.425 2.879 0 50 FFAA CCCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)C(C)C 72131860 LPVZPEVHONBUSZ-SFHVURJKSA-N 363.477 2.553 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccccc2[C@@H]2CCNC2)CC1 72157841 VQDJNOLJDCETTE-GOSISDBHSA-N 364.493 2.819 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)n(C)n1 77406679 ZRNPKFRDPLLITD-HXUWFJFHSA-N 360.502 2.619 0 50 FFAA CCOCCNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71750596 TWKWMMHICHJUPK-QFIPXVFZSA-N 366.461 2.686 0 50 FFAA Cc1cnn(Cc2cc(C(=O)Nc3cccc(OCC(F)F)n3)no2)c1 133034948 ZCRAOJOSKLQTKS-UHFFFAOYSA-N 363.324 2.519 0 50 FFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccccc2F)n1 49550995 GZIMSYRZVPFYDW-UHFFFAOYSA-N 371.343 2.836 0 50 FFAA Cc1noc([C@@H]2CN(C(=O)NCc3oc4ccccc4c3C)CCN2C)n1 286943792 QZXDVKMLYZLPMW-HNNXBMFYSA-N 369.425 2.631 0 50 FFAA Cc1ccc([C@](C)(O)CNC(=O)c2ncccc2OCc2ccncc2)o1 176710061 JIUOJBBRVANFKY-HXUWFJFHSA-N 367.405 2.595 0 50 FFAA CC1(C)CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)[C@@H]1c1cccnc1 292033727 DPTOHJBBSVQPDJ-BZUAXINKSA-N 365.499 2.530 0 50 FFAA CN(C)CCOc1ccccc1-c1noc([C@@H]2CCc3cnn(C)c3C2)n1 288969604 HQXVTZPNVPXNCB-CQSZACIVSA-N 367.453 2.683 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN([C@@H]2CCC(=O)N(CCC(C)C)CC2)C1 43125100 JZLNWIKRNXHVGW-RBUKOAKNSA-N 365.562 2.994 0 50 FFAA Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1NC(=O)CCN(C)C 291754255 UWHVICLGGOFUHD-UHFFFAOYSA-N 360.502 2.556 0 50 FFAA Cn1cc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c2ccccc21 82137108 SOOQRPNKHNCUDG-KRWDZBQOSA-N 355.482 2.895 0 50 FFAA Cn1ncc(Cl)c1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 222853417 CYYSFFSPPSZECT-MKTAYPAQSA-N 370.840 2.864 0 50 FFAA CN(C)C(=O)c1ccc(-c2ccc(C(=O)N3CCc4n[nH]cc4C3)cc2)o1 426420012 SKFYOHSCYRTYDB-UHFFFAOYSA-N 364.405 2.570 0 50 FFAA O=C(NCc1nnc2n1CCCC2)c1ccc2nc(-c3ccccc3)cn2c1 82096800 DHOBVDNOEOXABW-UHFFFAOYSA-N 372.432 2.859 0 50 FFAA Cc1ccc2nc(CNC(=O)c3cc(F)ccc3OCCCN)[nH]c2c1C 426370486 LEUGVHWHMLESSN-UHFFFAOYSA-N 370.428 2.976 0 50 FFAA CCc1cc(-c2ccc(OC)cc2-n2cccn2)nc(N2CCOCC2)n1 426474458 WXOYUTHYHNDEGZ-UHFFFAOYSA-N 365.437 2.737 0 50 FFAA COc1ccc(OCC2CCN(C(=O)NCc3cnn(C)c3C)CC2)cc1 426361892 FMTRAGNNVFDOPZ-UHFFFAOYSA-N 372.469 2.738 0 50 FFAA NS(=O)(=O)c1cccc(NC(=O)N2CCCC[C@@H]2c2nccs2)c1 95523919 WUICPWHXSFMYEK-CYBMUJFWSA-N 366.468 2.550 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCC(=O)c1ccccc1)C2 95375945 DNEKZAKTNOZTHJ-FUHWJXTLSA-N 371.481 2.644 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 91636150 XFNAKUSDCQVRRC-GOSISDBHSA-N 363.461 2.928 0 50 FFAA O=C1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CN1CCCO 91452003 GJSVQWOWTAEGOV-UHFFFAOYSA-N 352.425 2.552 0 50 FFAA COc1ccc(CCN(C)C(=O)c2ccccc2-c2nc[nH]n2)cc1OC 97213253 BLBZKAKKDLDKIY-UHFFFAOYSA-N 366.421 2.804 0 50 FFAA Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 95523433 ZYXFXOGDLMEKPZ-DLBZAZTESA-N 367.449 2.863 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)NCc2nc(-c3ccccc3)cs2)C1 426669188 ZLCFLPXDUNSMBB-OAHLLOKOSA-N 374.510 2.530 0 50 FFAA CCCc1nc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)cs1 91965475 NGARIVXFLNUPDM-OAHLLOKOSA-N 351.516 2.813 0 50 FFAA Cc1cccc(C)c1OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239339231 LWOYIRFJSMUARP-MJRVHVRYSA-N 365.429 2.650 0 50 FFAA O=C(c1cnc(-c2cccnc2)[nH]c1=O)N(Cc1ccsc1)C1CC1 91746404 OUTGVGIXWPFNRM-UHFFFAOYSA-N 352.419 2.698 0 50 FFAA CCN1CC2(CCC1=O)CCN(Cc1cnc(N3CCCCC3)nc1)CC2 91952374 QNIUOMSSHFFGOE-UHFFFAOYSA-N 371.529 2.691 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)Cc1n[nH]c3c1CCCCC3)CO2 91860389 ROMYSTOSBFJYQZ-OAHLLOKOSA-N 369.465 2.897 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)on1 91848298 XEBIBWSUNWXANA-MRXNPFEDSA-N 365.437 2.897 0 50 FFAA O=C(c1ccccn1)N1CCC(NC[C@H]2COc3ccccc3C2)CC1 95520006 OPTMJMAMOSAUHO-INIZCTEOSA-N 351.450 2.527 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](c2nccn2CC)C1 95502848 ICAFGROTBOWFIM-MRXNPFEDSA-N 356.470 2.954 0 50 FFAA Cn1cnc(-c2cccc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)c2)n1 183719064 AKTXACYTAKUZSA-CYBMUJFWSA-N 367.375 2.695 0 50 FFAA CCN1CCN([C@H]2CCN(C(=O)c3coc4cc(C)c(C)cc34)C2)CC1 184437530 CMESCWQLVTVYQS-KRWDZBQOSA-N 355.482 2.902 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc2c(c1)OCO2 65454291 RTQISVGPRXEAJH-GOSISDBHSA-N 352.434 2.821 0 50 FFAA C[C@@H](NC(=O)c1ccc(SCCO)cc1)c1nncn1C1CCCC1 299791435 FREUNYFEFYHKKZ-CYBMUJFWSA-N 360.483 2.969 0 50 FFAA CC[C@H](NC(=O)c1ccccc1N1CCC(=O)NC1=O)c1cccc(C)n1 299797638 RZZRNOXTANTHDE-HNNXBMFYSA-N 366.421 2.717 0 50 FFAA COc1nc(-c2cccc(C(=O)N3CCC[C@H]3c3cc(C)on3)c2)nn1C 299770855 NNSYHWUPVJXUNM-INIZCTEOSA-N 367.409 2.764 0 50 FFAA COc1ccc2c(c1C(=O)Nc1cccc(NS(C)(=O)=O)c1)CCC2 1875327545 YTSHCOFGTLGEBS-UHFFFAOYSA-N 360.435 2.808 0 50 FFAA C=CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@](C)(OC)c2ccccc2F)CC1 1875383011 BUEQZRZAKYKCPM-STXHMFSFSA-N 362.445 2.665 0 50 FFAA CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN2C(=O)C2CCC2)c1C 1875333057 YBKIHXIQOZEIMQ-QGZVFWFLSA-N 371.481 2.817 0 50 FFAA O=C([C@H]1[C@H]2CC[C@@]1(c1ccccn1)C2)N1CCc2[nH]nc(C(F)F)c2C1 1875392370 FOPOBUZQEGIUJC-CQOVVYFZSA-N 358.392 2.995 0 50 FFAA FC(F)(F)[C@]1(c2nc(-c3ncc[nH]3)no2)CCN(c2ccccn2)C1 952893226 GTZBCZJNAAOQIH-CQSZACIVSA-N 350.304 2.565 0 50 FFAA Cc1ncnc2c1C[C@@H](C(=O)N1CCCN3c4ccccc4C[C@@H]3C1)CC2 1875294954 YZDMOKPYDOIUJJ-ZWKOTPCHSA-N 362.477 2.554 0 50 FFAA Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)C3CC3)cc2)n[nH]1 952978230 XEBIOMCATFEQMJ-INIZCTEOSA-N 353.426 2.510 0 50 FFAA CN1CC[C@](C)(CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)C1 952979709 RHMNLPKAZLHPAF-AWEZNQCLSA-N 350.406 2.668 0 50 FFAA COc1cncc(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1 880564183 FMUBJAZEQKSMGQ-QGZVFWFLSA-N 354.410 2.575 0 50 FFAA CC1(C)C[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)CCS1(=O)=O 896997858 FVBBDYFDUYRTNW-AWEZNQCLSA-N 372.494 2.795 0 50 FFAA O[C@H]1CN(C2CCN(c3ccccc3)CC2)CC[C@@H]1N1CCCCCC1 1565516877 YGQOVBLAKFBZET-VXKWHMMOSA-N 357.542 2.967 0 50 FFAA O=c1cc(-c2cccnc2)nc(-c2ccc(CN3CCCOCC3)cc2)[nH]1 82039587 VFGQJBPXEZPBRL-UHFFFAOYSA-N 362.433 2.721 0 50 FFAA Cc1ccc(C(=O)NS(=O)(=O)c2ccc(CN(C)C)cc2)cc1Cl 170617237 RPSFZTXSCXLXFW-UHFFFAOYSA-N 366.870 2.829 0 50 FFAA CCCN(CC(=O)Nc1ccccc1C)c1ncc(C(N)=O)cc1Cl 301749802 UBBXXRSOEUIUKG-UHFFFAOYSA-N 360.845 2.997 0 50 FFAA CS(=O)(=O)c1ccc(F)c(CNC(=O)CCCc2cccs2)c1 225708668 SQZFQCQEWBSQBD-UHFFFAOYSA-N 355.456 2.930 0 50 FFAA CCS(=O)(=O)N1CCN(Cc2cnc(-c3ccccc3C)s2)CC1 1506431632 SUOVNNLTFIGTEU-UHFFFAOYSA-N 365.524 2.586 0 50 FFAA Cc1nn(C)c2ncc(C(=O)O)c(N3CCC[C@H]3c3nc(C(C)C)no3)c12 1529114693 SUDOPHMFUCNKME-LBPRGKRZSA-N 370.413 2.823 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3C[C@H]4COC[C@@H](C3)C(=O)N4C)cc2)cc1 1704316025 SQKHTEAXUIJQQY-UXHICEINSA-N 364.445 2.591 0 50 FFAA CCNC(=O)c1ccc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)nc1 1704313606 JJPVCZODCYZPKW-HNNXBMFYSA-N 357.458 2.797 0 50 FFAA CCC[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1NS(C)(=O)=O 216760353 CRMXPZSXPVWFLS-ZFWWWQNUSA-N 364.433 2.855 0 50 FFAA Cc1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)c2cc(F)ccc2n1 1772805537 ODZAHWDCSDIYIZ-UHFFFAOYSA-N 357.429 2.619 0 50 FFAA COc1nccnc1N1CCCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 1772819119 FFTQSXDXRUTQAP-KRWDZBQOSA-N 366.465 2.644 0 50 FFAA Cc1ncsc1CN1CCCN(C(=O)c2ccc3nc[nH]c3c2)CC1 1772817926 JJXXFDXHCNWGEL-UHFFFAOYSA-N 355.467 2.676 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN3CCSCC3)C2=O)cc1 11838881 KTTZZGZDOFQPAB-HXUWFJFHSA-N 362.539 2.712 0 50 FFAA CCOC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 11933022 YZNMQQVBCGOJTP-CQSZACIVSA-N 373.453 2.869 0 50 FFAA O=C(Cn1cccn1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 12299191 QNXYPDWSKHNBIU-JOCHJYFZSA-N 366.509 2.830 0 50 FFAA O=C(CS[C@H]1CCc2ccccc2NC1=O)NC[C@H](O)c1ccccc1 12406726 VCQCHTGPZIDAIP-ROUUACIJSA-N 370.474 2.523 0 50 FFAA Cc1cnc(NC(=O)CNC(=O)N2CCc3c([nH]c4ccccc34)C2)s1 12407045 UCQYNAFOCUPSLP-UHFFFAOYSA-N 369.450 2.639 0 50 FFAA biogenic Cc1csc(SCC(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)n1 12595681 RBPCCBFHLIPMGU-CQSZACIVSA-N 367.540 2.841 0 50 FFAA CC(C)N(Cc1cnn(C)c1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12754856 QIKBEXQWPPULQK-UHFFFAOYSA-N 372.860 2.764 0 50 FFAA Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 19873801 RVWVASWEXVHPDL-UHFFFAOYSA-N 368.412 2.797 0 50 FFAA CCOC(=O)NCC(=O)N[C@@H](c1cccnc1)c1cc2ccccc2o1 371730447 UEGIJWFOVYHAOL-SFHVURJKSA-N 353.378 2.780 0 50 FFAA Cc1nc([C@@H]2CN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CCO2)no1 374814957 BIJZOWBLHQFARR-INIZCTEOSA-N 356.357 2.726 0 50 FFAA COc1ccc([C@H](CC(=O)N[C@H](C)[C@@H](O)c2ccccc2)NC(C)=O)cc1 809214521 FGEUJGKUIWKUOU-XWRIVVANSA-N 370.449 2.501 0 50 FFAA O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(F)F 912854750 RTPGJZVGAWMIPW-UHFFFAOYSA-N 352.790 2.718 0 50 FFAA Nc1nonc1-c1noc(COc2ccc(Cl)cc2Br)n1 970252 FWGBOWOSHRLWEY-UHFFFAOYSA-N 372.566 2.697 0 50 FFAA O=C(O)Cc1cccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 2100473725 VLZUKWISMZJDBO-WIYYLYMNSA-N 353.418 2.871 0 50 FFAA COc1ccc(OCCn2c(CN3CCOCC3)nc3ccccc32)cc1 19939690 NEKACTCLFWQAAC-UHFFFAOYSA-N 367.449 2.956 0 50 FFAA C[C@H](c1ccccc1Br)n1cc(CO[C@@H]2CCCNC2)nn1 2325772697 RVHVJJBAIGCNAQ-TZMCWYRMSA-N 365.275 2.919 0 50 FFAA CN(CCc1cccc2ccccc12)c1ncnc(N2CCC(N)CC2)n1 2325796301 HPFZPRKJTGHEET-UHFFFAOYSA-N 362.481 2.631 0 50 FFAA C[C@@H]1CN(C(=O)c2cnc3ncnc(O)c3c2)CC[C@@H](c2ccccc2)O1 2325800891 LJZVTMIVIQLASG-DYVFJYSZSA-N 364.405 2.723 0 50 FFAA COc1c(C)cnc(CN(C)C[C@@H](O)CC2(C(=O)O)CCCC2)c1C 2325806742 DHVXZABNHIQOCM-HNNXBMFYSA-N 350.459 2.535 0 50 FFAA CC(=O)NC1(CCNC(=O)c2cc([C@H](C)c3ccccc3)[nH]n2)CCC1 2325850382 WNTJPYFOXGXDDW-CQSZACIVSA-N 354.454 2.740 0 50 FFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@@H](C)c1nc([C@@H](C)O)n[nH]1 2325851702 GTMADRORWFRGFJ-VHSXEESVSA-N 359.817 2.859 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1 2325888561 FGYGDGMMIQUQGY-BBRMVZONSA-N 360.429 2.969 0 50 FFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 792825 VXLCTYCNPCKCHJ-GFCCVEGCSA-N 352.365 2.790 0 50 FFAA Cc1nc(-c2ccc3nnc([C@@H](O)C(C)C)n3c2)n(CC(F)(F)F)n1 2356154329 QXZFLUYAZWTLAZ-LBPRGKRZSA-N 354.336 2.548 0 50 FFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 4638506 PRUPQCIQHAZBHA-HOTGVXAUSA-N 350.846 2.880 0 50 FFAA Cc1nc2sc3c(c2c(=O)n1NC(=O)COc1ccccc1)CCCC3 4750346 ZXPRGSAFPRDYLG-UHFFFAOYSA-N 369.446 2.794 0 50 FFAA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1Cl 4839645 ZJLQHTGELKESRD-UHFFFAOYSA-N 365.842 2.640 0 50 FFAA N#Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)ccc1N1CCCC1 115030532 DQWVAMUVRXYGAP-UHFFFAOYSA-N 372.432 2.669 0 50 FFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)CC1 20778589 IUGSLUQOHSXIEP-GOSISDBHSA-N 370.497 2.906 0 50 FFAA CC(C)(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO 104363027 VOHJVWDOCAOOCB-HXUWFJFHSA-N 374.504 2.926 0 50 FFAA Cc1cc(C)nc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)n1 20905499 ULDLOJBBJLXIQP-UHFFFAOYSA-N 374.347 2.869 0 50 FFAA N#Cc1cc2c(=O)n(Cc3cccc(CN4CCCC4)c3)ccc2nc1O 67673214 UOKYDPLNXAGWRF-UHFFFAOYSA-N 360.417 2.618 0 50 FFAA COc1cc(OC)c([C@@H]2CC(=O)NCc3nc(N)sc32)cc1Cl 65372501 AUAYLGLOJMKPQA-QMMMGPOBSA-N 353.831 2.548 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3ccccc3Cl)ncn2)n1 72115731 YVWOFBPCWYYWNL-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CN1CCN(C2=Nc3cc(Cl)ccc3N(NC=O)c3ccccc32)CC1 22023382 FEBOCPNVZPAZJK-UHFFFAOYSA-N 369.856 2.778 0 50 FFAA O=C(NCC1CC1)[C@@H]1CCCN(C[C@@H](O)c2ccccc2C(F)(F)F)C1 229764240 QFJQJCXYDBTYOR-RHSMWYFYSA-N 370.415 2.977 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1(N)CCC1)CCO2 67983508 AZFYAIFLIRENEN-UHFFFAOYSA-N 352.434 2.970 0 50 FFAA O[C@H]1CCCN(c2ncccc2CNCc2cccn2-c2ccccn2)C1 12076293 IUICFGLARBFYRP-IBGZPJMESA-N 363.465 2.518 0 50 FFAA CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)/C=C/c1ccccc1Br 253423045 DVCDIMONUYYBML-HOMMJUPQSA-N 370.287 2.737 0 50 FFAA O=c1cc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)[nH]c2ccnn12 363532313 ISFSVVFVKARFKL-GFCCVEGCSA-N 367.384 2.683 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 215220553 ZOZYLUOYVJZRDI-IBGZPJMESA-N 353.466 2.847 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 72421309 WEVZKEFIHCCHGF-UHFFFAOYSA-N 367.493 2.743 0 50 FFAA CCO[C@@H]1C[C@](O)(CNC(=O)c2c(O)cc(Cl)cc2Cl)C1(C)C 436994400 MPQKXNBTQVRALE-WBMJQRKESA-N 362.253 2.995 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCCc3cn[nH]c3)CC2)OC1=O 72420935 MVJOWTDCDSVLAF-HNNXBMFYSA-N 362.474 2.734 0 50 FFAA O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 332965356 RTRKWCSGYQYNQZ-JZWPEALZSA-N 365.420 2.627 0 50 FFAA CC[C@](C)(NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)C(=O)O 262506290 ZYQGNZCRMXBVBX-FQEVSTJZSA-N 354.406 2.946 0 50 FFAA O=C(c1cncc(O)c1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 285580738 KMLSMVQGTQUFME-LSDHHAIUSA-N 352.312 2.754 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3cccc(C)c3)ccc21 77321794 XTYGAUGQHTUFSG-UHFFFAOYSA-N 353.422 2.605 0 50 FFAA O=C(C1CCCCCC1)N1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 72429412 XIZTVEHRELOLAP-GOSISDBHSA-N 372.513 2.990 0 50 FFAA Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82106607 SSMNUZIFZOFYTQ-GOSISDBHSA-N 363.465 2.993 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1 245736065 UTIMEIIEKIEURW-HLAWJBBLSA-N 366.461 2.665 0 50 FFAA CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C(=O)O)c(C)n1 263304644 DWEBBQPUZHOQPM-UHFFFAOYSA-N 355.394 2.823 0 50 FFAA CCn1nc(C)c(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1C 220480631 ZHTXHOAEXMSYLX-NRFANRHFSA-N 365.481 2.814 0 50 FFAA O=C(c1cccc(OC(F)F)c1)N1CCCC[C@H]1CN1CCOCC1 82137441 ZEKXMNDOQDOKFK-HNNXBMFYSA-N 354.397 2.615 0 50 FFAA Cc1nc(NCCc2nc3ccc(Cl)cc3[nH]2)cc([C@@H]2CCOC2)n1 426571556 DSQZCTODQDJOKD-GFCCVEGCSA-N 357.845 3.473 0 50 FFAA Cc1nc(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)c(C)s1 426389632 LCQGLFWRKNHOSB-KXBFYZLASA-N 363.527 2.911 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)n1 426494489 YDICUMSZZMHKED-CYBMUJFWSA-N 363.845 2.637 0 50 FFAA CN(C)C[C@]1(CO)CCCN(C(=O)c2ccc(-c3nccs3)cc2)C1 426674383 ZCEKOIHOFOBERN-LJQANCHMSA-N 359.495 2.586 0 50 FFAA O=C1OCCCN1CCNC(=O)N1CCn2cccc2[C@@H]1c1cccs1 426435066 WYPWLFCPZQQGBB-MRXNPFEDSA-N 374.466 2.507 0 50 FFAA COc1ccnc(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c1 223626664 SEJRYNANXSIEAM-FQEVSTJZSA-N 354.450 2.936 0 50 FFAA CC(C)c1cc(C(=O)NCCSCc2ccccc2)nc2ncnn12 97568845 ICLBAKKDWQNFSX-UHFFFAOYSA-N 355.467 2.911 0 50 FFAA CCn1c(Cn2cccn2)nnc1C1CCN(Cc2cccc(C)n2)CC1 91914943 DDVRKZQHOCTEJE-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA OCCn1nc([C@@H](O)c2ccccc2)nc1CCCc1ccc(F)cc1 96180266 NVDKUQFNVOJNCE-IBGZPJMESA-N 355.413 2.667 0 50 FFAA Cc1nc(CCc2cc(Cl)no2)n(-c2cc(=O)n(C)c3ccccc23)n1 91519427 WJJWKKBVWVXESM-UHFFFAOYSA-N 369.812 2.854 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1CC[C@H](N)C1 237666332 DEOXBQUWBNJITH-WAVCKPEOSA-N 358.873 2.774 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)C1(N3CCCC3)CCCC1)C2 91594404 YHUJQOQBQROABO-INIZCTEOSA-N 358.482 2.771 0 50 FFAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)c2ccccc21 91624857 IGPVJMZUTREITB-JKSUJKDBSA-N 351.450 2.651 0 50 FFAA O=C1CCCN1Cc1nc([C@H](O)c2ccccc2)nn1C1CCCCC1 96154114 PTWNRDSQZJEELP-LJQANCHMSA-N 354.454 2.987 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)[nH]1 91663382 FULTXDWEGQOEEX-QFBILLFUSA-N 367.497 2.770 0 50 FFAA CN(C)[C@H](C(=O)N(CCCO)Cc1ccc(F)cc1)c1ccc(F)cc1 95381431 OSFHJZJTJNFEDM-IBGZPJMESA-N 362.420 2.979 0 50 FFAA Cc1cccc(N2CCN(C(=O)c3cc(OCC(F)F)ccn3)CC2)c1 182287741 PZDSNKUSCCMMPR-UHFFFAOYSA-N 361.392 2.996 0 50 FFAA COCC[C@]1(C(=O)O)CCCN(Cc2cc3c(cc2Cl)OCO3)C1 92107893 TWODVRBLAWNBMP-QGZVFWFLSA-N 355.818 2.772 0 50 FFAA CCn1c(NC(=O)[C@H]2CCCN2C2CCOCC2)nc2cc(C)ccc21 182489804 FMOISEUEMJQASD-GOSISDBHSA-N 356.470 2.947 0 50 FFAA CCOC(=O)C1CCN(C(=O)CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 245253902 RFHXBHSPONFYKA-BFYDXBDKSA-N 366.502 2.509 0 50 FFAA CCSc1nnc(NC(=O)CN2CCCC[C@@H]2c2nc(C)no2)s1 244875002 XKXUXSRCMBXRSK-SNVBAGLBSA-N 368.488 2.507 0 50 FFAA Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(C)cn3)CC2)nc1 184231461 NSLWXAHNEZKFEC-UHFFFAOYSA-N 353.426 2.976 0 50 FFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1oc2ccccc2c(=O)c1O 253413256 UHAUKBFVWCFPQP-CQSZACIVSA-N 368.341 2.892 0 50 FFAA biogenic CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)[C@H]2C1 299774725 IZAOEQXXZRWHIX-ABSDTBQOSA-N 355.438 2.875 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)[C@H]2C1 299770105 OXRJUVTVMRGNBD-ZAAXVRCTSA-N 355.438 2.875 0 50 FFAA COc1ccc(CNC(=O)C2CCN(CCc3c(C)n[nH]c3C)CC2)cc1 299771524 SXNVCIIKADLEJX-UHFFFAOYSA-N 370.497 2.606 0 50 FFAA CC[C@@H](c1nc(CC(N)=O)nn1-c1ccc2ccccc2c1)N(C)CC 822663314 KVWVISPQAGAOEP-KRWDZBQOSA-N 351.454 2.851 0 50 FFAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)NCc2nc(C)cs2)c1 670471770 TUPYYPSIBJVCCD-LBPRGKRZSA-N 374.495 2.533 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cnc(O)c(Cl)c1 670452043 YUQQLGBRAIUHKD-LBPRGKRZSA-N 351.859 2.897 0 50 FFAA C[S@](=O)(=NS(=O)(=O)Nc1ccc2c(c1)CCCO2)c1ccccc1 872347738 VPFWNDZHFGSSCK-HSZRJFAPSA-N 366.464 2.825 0 50 FFAA Cc1c(C(=O)O)sc2[nH]cnc(=N[C@@H]3C[C@H](CO)c4ccccc43)c12 952876056 ZTNFTAHQYOQDIS-ZWNOBZJWSA-N 355.419 2.753 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)c1cc(CC(C)C)nc(N)n1 952973696 OXGSFPCXFBFGCD-UHFFFAOYSA-N 362.499 2.916 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)c1 952868953 JFWVEZONRDEGQE-UHFFFAOYSA-N 356.378 2.656 0 50 FFAA Cc1cc(Br)oc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 888078772 ZDMOWIVOVLTVAP-SNVBAGLBSA-N 351.204 2.700 0 50 FFAA CNC(=O)[C@@H]1C[C@H](NCc2ccc(Cl)cc2)CN1Cc1ccccc1 39557751 UBTGASBJVSENAB-OALUTQOASA-N 357.885 2.819 0 50 FFAA O=C(NS(=O)(=O)c1sccc1Cl)c1n[nH]c2c1CCCCC2 408503778 VQTALQABQBABTL-UHFFFAOYSA-N 359.860 2.512 0 50 FFAA CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccnc(C2CC2)n1 110124514 RZIMDWHTEWEBOT-UHFFFAOYSA-N 360.483 2.794 0 50 FFAA CCn1nccc1N1CCC[C@H](Nc2ncnc3scc(C)c23)C1=O 413263029 MKTHXLJQNPLKFG-LBPRGKRZSA-N 356.455 2.824 0 50 FFAA Cc1ccc(-c2nnc(NC(=O)CC[C@H](C)N3CCN(C)CC3)s2)cc1 1529141851 QUJLYXDRYDZVKQ-HNNXBMFYSA-N 373.526 2.868 0 50 FFAA O=C(c1cnn2cc(Br)cnc12)N1CCc2ccccc2C1 12846031 DHEHXVVPKNXTDJ-UHFFFAOYSA-N 357.211 2.690 0 50 FFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)C1 13745571 IKHNCKVCVJUEOM-CQSZACIVSA-N 359.451 2.755 0 50 FFAA O=C(c1cccnc1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 15068268 BDYBUIFDPRXYRW-NRFANRHFSA-N 367.424 2.876 0 50 FFAA CCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3)C2=O)cc1 19503886 KYGCCJRAHIGYSX-LJQANCHMSA-N 352.434 2.940 0 50 FFAA OC1(c2ccccn2)CCN(CCN2CC[C@H](c3ccccc3)C2)CC1 19758818 FJZVKBVVYQESNW-FQEVSTJZSA-N 351.494 2.855 0 50 FFAA CN1CC2(CCN(c3nc4cc(C(C)(C)C)ccc4o3)CC2)OCC1=O 1857667754 JKUCNBBNRDLWGL-UHFFFAOYSA-N 357.454 2.953 0 50 FFAA CCc1ocnc1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857677046 WDFRDMSJNAJONB-UHFFFAOYSA-N 350.422 2.879 0 50 FFAA CC[C@]12COC(=O)N1CCN(S(=O)(=O)c1c(C)c(C)cc(C)c1C)C2 1857677795 DMXFPHNXZGNLAC-SFHVURJKSA-N 366.483 2.526 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1nc3ccccc3s1)C[C@H]2O 1857718788 STSKYZGDIBUJQM-VXXKDZQQSA-N 352.459 2.870 0 50 FFAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1ccc(=O)n(C)n1 408087258 ARWUKZRPKUHTJQ-SECBINFHSA-N 352.221 2.847 0 50 FFAA C[C@H](O)C[C@@H]1COCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 152432864 BYADIMSDVXTALB-MISXGVKJSA-N 362.253 2.759 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)n1)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 847165587 SSSMRAFAEOLWMQ-OLZOCXBDSA-N 369.347 2.889 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 3877667 WCYPRXUOSYYPAR-UHFFFAOYSA-N 371.462 2.902 0 50 FFAA C[C@H](NC(=O)c1cccnc1S)c1cc(F)ccc1N1CCOCC1 2325713842 MLGGWIVLSDYCNO-LBPRGKRZSA-N 361.442 2.837 0 50 FFAA C[C@H](Cc1coc2ccccc12)NC[C@]1(N2CCOCC2)CCCOC1 2325750488 QOQIMRSZBZSGMV-DYESRHJHSA-N 358.482 2.835 0 50 FFAA Cc1ccc(Sc2ccnc(NC3CC4(C3)CS(=O)(=O)C4)n2)cc1 2325765975 QIFGMPWMXVTYQX-UHFFFAOYSA-N 361.492 2.925 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C[C@@H]3COC4(CCNCC4)C3)cc2)c1C 2325795407 DPVMOOLDFNRQPQ-KRWDZBQOSA-N 368.481 2.976 0 50 FFAA Cc1cn2c(CN(C)C(=O)[C@@H]3CCc4ncc(C)n4C3)c(C)nc2s1 2325799598 KSARPTNKKAGETE-CQSZACIVSA-N 357.483 2.739 0 50 FFAA c1cc(N2CCC[C@H](Cc3nccs3)C2)nc(N[C@@H]2CCCNC2)n1 2325800621 XZUUOUJAJBBCAZ-HUUCEWRRSA-N 358.515 2.556 0 50 FFAA COC(=O)CCc1ccc2c(n1)N(C(=O)C1CC3(CC(F)C3)C1)CCC2 2325806501 CLKRAQFLMFQTIG-UHFFFAOYSA-N 360.429 2.995 0 50 FFAA O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2ccncc2)CC1 2325808020 UOHKPUFYHZJPQE-MRXNPFEDSA-N 362.437 2.601 0 50 FFAA Cc1cn2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc(F)c2n1 2325813494 LIRRHCIQFRWKBT-UHFFFAOYSA-N 352.413 2.836 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)C1 2325889500 UGFQTWXQYJZAHZ-INIZCTEOSA-N 372.465 2.619 0 50 FFAA CC[C@@H](CNC(=O)c1ccnc(Cl)c1)NC(=O)c1ccnc(Cl)c1 110715803 UUGJFJUNTKUGKE-LBPRGKRZSA-N 367.236 2.722 0 50 FFAA Cc1cc(C)cc(N([C@@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 1072892 NXFBDDWXRUJTST-HNNXBMFYSA-N 352.500 2.907 0 50 FFAA COC(=O)N[C@H](C)C(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1 2356170211 KMGQFCBTNUCGHI-LLVKDONJSA-N 350.806 2.576 0 50 FFAA O=C(N[C@H]1CCc2cc(F)ccc21)c1cccc(C(=O)N2CCCC2)n1 172636516 CLOFBFNIGUKFAF-INIZCTEOSA-N 353.397 2.874 0 50 FFAA O=C1[C@@H](N2CCN(c3ccccn3)CC2)CCCN1c1cccc(F)c1 115531030 SCDJAYIHZZAODL-SFHVURJKSA-N 354.429 2.538 0 50 FFAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccco4)c(=O)n1c23 100663082 DQFXWNIWPSXMTC-JTQLQIEISA-N 356.353 2.876 0 50 FFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 248131710 BBYZFDLIOPJXSE-IJEWVQPXSA-N 374.510 2.653 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N[C@H]2CCc3ncnn3C2)c1 135487421 QLTDHBXQXMNQSG-HNNXBMFYSA-N 363.421 2.775 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)c2cc(COc3cccc(F)c3)[nH]n2)[nH]n1 67513847 PWFHOWUCXKZNBS-LLVKDONJSA-N 357.389 2.520 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 10302304 BBNSFWTWNNTBJO-NSHDSACASA-N 364.389 2.706 0 50 FFAA CN1C(=O)C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 20427267 CATVORFVDKUJLA-BEFAXECRSA-N 352.390 2.616 0 50 FFAA CCn1c(CC2CCN(c3ccnc4ccccc34)CC2)nn(C)c1=O 67895272 WTGXRBNXQCVPRO-UHFFFAOYSA-N 351.454 2.609 0 50 FFAA Cn1c(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)nc2ccccc21 22851543 QOQDPMRVMZPTHK-LJQANCHMSA-N 364.493 2.642 0 50 FFAA Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)c2cscc2C)c(C)[nH]1 252551880 UIZFKPAXXUOPRN-KRWDZBQOSA-N 361.511 2.974 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@@H](C)C2)cc1 77485633 TWCXQLGJSKBQRB-HNNXBMFYSA-N 351.450 2.523 0 50 FFAA O=C(c1ccc2nncn2c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 155322226 ZDPRLSILNBFZSY-QGZVFWFLSA-N 354.385 2.690 0 50 FFAA Cc1cc(F)ccc1C1CCN(C(=O)NCc2nc(N(C)C)no2)CC1 366161137 DTPXDFLUENCDSG-UHFFFAOYSA-N 361.421 2.672 0 50 FFAA Cn1cnnc1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 125511102 URLSZBQFOFYZHT-AEFFLSMTSA-N 371.460 2.530 0 50 FFAA O=C(c1cccn2c(O)nnc12)N1CCC(Cc2ccc(F)c(F)c2)CC1 364227533 PWRCXRDPTCVZPZ-UHFFFAOYSA-N 372.375 2.808 0 50 FFAA CCc1nc(N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)c2cnn(C)c2n1 72162768 RBDHRAHJCUKXSD-FUHWJXTLSA-N 364.497 2.901 0 50 FFAA CCc1cccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)c1 33326767 KWEWOTPJONMIML-UHFFFAOYSA-N 368.485 2.768 0 50 FFAA O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ncc[nH]2)C1 329375012 NSCXCJLQDGVUPI-IRXDYDNUSA-N 352.438 2.626 0 50 FFAA CN(C)c1nccnc1N1CCC[C@@](Cc2ccccc2F)(C(=O)O)C1 71440025 GPQRKOWATJKSHD-IBGZPJMESA-N 358.417 2.596 0 50 FFAA CN(C)[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)c1ccccn1 72407771 FLUJTFUADWJWAN-QGZVFWFLSA-N 374.452 2.535 0 50 FFAA C/C(=C\C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1)c1ccccc1 285035884 VWIKVABZIDXESC-ZRNYNZGJSA-N 354.454 2.773 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)Nc3nc4c(s3)CSCC4)cc2=O)cc1 376105479 YWIHPDICHQCGLB-UHFFFAOYSA-N 372.475 2.972 0 50 FFAA COC[C@@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72120799 ONSAHSMRMMIODO-GOSISDBHSA-N 366.505 2.850 0 50 FFAA c1cc2c[nH]nc2cc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 377623182 NEDJSFLWXMPSNR-INIZCTEOSA-N 352.442 2.578 0 50 FFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCC(c2cc[nH]n2)CC1 219030858 DZBNTHHEDOBWBO-UHFFFAOYSA-N 366.425 2.584 0 50 FFAA CCOc1cccnc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 176111748 ANUUDVKJOHYNCQ-HNNXBMFYSA-N 368.437 2.675 0 50 FFAA COc1cccc([C@@H](CNC(=O)c2cncnc2C2CC2)N2CCCC2)c1 454297052 SNCXAQXPEKKOSN-LJQANCHMSA-N 366.465 2.930 0 50 FFAA Cc1ccc2c(c1)nc(CNC(=O)N[C@H]1COc3c(C)cccc3C1)n2C 460769332 PYWMVLFWNALWNA-MRXNPFEDSA-N 364.449 2.993 0 50 FFAA Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc2cc(C(F)(F)F)ccc21 177816756 HDXNDPBZKVEOFX-OLZOCXBDSA-N 367.371 2.971 0 50 FFAA CCCn1ncnc1[C@H](C)NC(=O)c1nc2ccc(Cl)cn2c1F 426412716 HTRNZQYDJXJOSI-VIFPVBQESA-N 350.785 2.619 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)N[C@H](C)c1nc(-c2ccccn2)no1 426380766 ZBUQACQKVHCYGX-CYBMUJFWSA-N 369.429 2.641 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)CC1=CSC3=NCCCN13)nn2C 222705089 GODADKBQMJPDFV-UHFFFAOYSA-N 355.467 2.538 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N[C@@H](CC)CO)csc3C2)nc1 426612367 IZIXIBAZHKBSGP-HNNXBMFYSA-N 373.522 2.765 0 50 FFAA O=C(NCCc1cn2ccsc2n1)c1ccc([C@H]2CCCNC2)cc1 95369961 FUVZXSOCGFYYLZ-INIZCTEOSA-N 354.479 2.835 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ncnn1C 91486734 AAJNNKLNEATYOY-QGZVFWFLSA-N 365.437 2.688 0 50 FFAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)C(c1ccccc1)c1ccccc1 96152696 VCOUIWCGBRSEGQ-SFHVURJKSA-N 361.401 2.580 0 50 FFAA CC(=O)N[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1c1ccc(C)o1 91725218 FREPTWAALFHANK-HZPDHXFCSA-N 352.394 2.747 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1cccc(Cl)c1Cl)C2 91725416 XZEIWLOBWFDWRK-DZGCQCFKSA-N 370.324 2.978 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)CCc3ccsc3)C2)CCC1=O 91871656 YBHMRSWBSGUSBP-LJQANCHMSA-N 364.511 2.558 0 50 FFAA Cc1cnc(CNC(=O)Nc2cc(N3CCOCC3)ccc2Cl)cn1 96132067 BZWAKZHLQLEALR-UHFFFAOYSA-N 361.833 2.597 0 50 FFAA C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)c1ncc(F)cc1F 91476475 NWTGPEJOECIEGX-JTQLQIEISA-N 365.767 2.891 0 50 FFAA Cc1ccccc1N1CCCN([C@H](C(=O)O)c2ccc(F)c(CO)c2)CC1 95531091 SKKKJFCTLOIBAK-FQEVSTJZSA-N 372.440 2.964 0 50 FFAA O=C(NCCCN1Cc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 96149405 LKYAZRFAYJSRER-UHFFFAOYSA-N 363.461 2.949 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)O)s1 95505982 PTAYTZUIVNYCNU-GFCCVEGCSA-N 360.439 2.588 0 50 FFAA CSc1ccccc1C(=O)[C@@H]1CCCN(CC(=O)Nc2ccn(C)n2)C1 244840189 UIHCXGAHTLAKSQ-CQSZACIVSA-N 372.494 2.675 0 50 FFAA Cc1cccnc1N1CCN(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1 534655146 RUGXBKFALIMRNQ-UHFFFAOYSA-N 373.545 2.873 0 50 FFAA CCc1ccccc1OC1CN(C(=O)NC2CCN(C(=O)C(C)C)CC2)C1 534640879 IXIREWKKCHVTOA-UHFFFAOYSA-N 373.497 2.669 0 50 FFAA CCn1nccc1S(=O)(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 534593354 IWBWBOXGTZFBEW-UHFFFAOYSA-N 362.455 2.820 0 50 FFAA COc1cc2c(cc1OC)CN(Cc1cccc(O[C@H](C)CN)c1)CC2 299765379 GBNNTUSWBUCTTQ-OAHLLOKOSA-N 356.466 2.988 0 50 FFAA O=C1CCN(C(=O)c2cccc(Cl)c2)CCN1CCN1CCCCC1 299787945 ZCMFCCHADYWTQX-UHFFFAOYSA-N 363.889 2.500 0 50 FFAA Cc1nnc(CCNC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)s1 292043910 RBVHAGBXFQJMDK-CQSZACIVSA-N 366.874 2.826 0 50 FFAA COc1nc(-c2cccc(C(=O)N[C@@H](C)Cc3cccs3)c2)nn1C 299795898 MSPBBWFNQCHVKH-LBPRGKRZSA-N 356.451 2.913 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2F)CC1(C)C 1875331222 VTRWFDPUPOVWHR-LLVKDONJSA-N 354.426 2.704 0 50 FFAA COc1ccc([C@@H](CN=c2[nH]ccc3cnccc23)N(C)C)cc1OC 1875305293 OXNUCXIIOIDKAJ-QGZVFWFLSA-N 352.438 2.784 0 50 FFAA Cc1nn(C2CCOCC2)cc1C(=O)Nc1ccc(OC(F)F)nc1 1875265677 ADSKQYZWHWQPIQ-UHFFFAOYSA-N 352.341 2.792 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH]ccc23)CC[C@H]1C(F)(F)F 886066055 RSJPTMKVPCAVFE-NHYWBVRUSA-N 353.344 2.840 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCC(=O)N2CCCc3ccccc32)C1 888079246 OJRBKUXKWUICEI-SJLPKXTDSA-N 354.454 2.541 0 50 FFAA CN1CC[C@H](NC(=O)NCc2ccc(CN)cc2)[C@H](Cc2ccccc2)C1 1565510292 RDULQGHQXSHKJE-RTWAWAEBSA-N 366.509 2.508 0 50 FFAA COc1cccc(-c2nc(CN3CCCNC(=O)[C@@H]3C)cs2)c1OC 189277345 IDOCXWCCJQATKL-LBPRGKRZSA-N 361.467 2.538 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)nc1)N[C@@H]1CCCc2c(O)cccc21 191284849 LDKXMOFLHZCBCS-QGZVFWFLSA-N 368.437 2.823 0 50 FFAA CCCc1ccc(C(=O)NCC2(N3CCOCC3)CC(OCC)C2)cc1 170614924 HTLQAOJBGMYISH-UHFFFAOYSA-N 360.498 2.639 0 50 FFAA CC(C)n1c(S)nnc1CNC(=O)c1ccc([S@@](=O)C(C)C)cc1 170644230 FFWIXQSSOZDOHR-DEOSSOPVSA-N 366.512 2.594 0 50 FFAA COCc1noc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)n1 280228061 AVYITSZBMQSVSH-GXFFZTMASA-N 357.332 2.543 0 50 FFAA C[C@@H](O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 171764614 XLTVUDUIYPXDGP-OXQOHEQNSA-N 366.461 2.909 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 1506425697 CSCGQYHTCSBTNM-GOSISDBHSA-N 356.470 2.572 0 50 FFAA COc1ccccc1CCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529145142 BOFBRHZKNJECCV-TZIWHRDSSA-N 355.434 2.589 0 50 FFAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCCCC1 1049712 AAWKEWXYPXFUQV-UHFFFAOYSA-N 354.170 2.985 0 50 FFAA CCCc1ccc(OCCNc2nccc(N3CCC[C@H](O)C3)n2)cc1 1704349949 IRGGGJVZDFGELT-KRWDZBQOSA-N 356.470 2.881 0 50 FFAA CN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 1128474 CYTWMEMJNZDQRD-UHFFFAOYSA-N 372.368 2.965 0 50 FFAA O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 786394 QAXYZIGXQZJYPS-UHFFFAOYSA-N 358.463 2.791 0 50 FFAA CCOC(=O)N1CCN(C(=S)Nc2ccc(Br)cc2)CC1 1142709 NQZRRLCWEMNPED-UHFFFAOYSA-N 372.288 2.920 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 827683 BZINGTQERXTDTK-UHFFFAOYSA-N 358.891 2.863 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c(C)c1 1616069133 OFYLJAQRBNRTTC-RXVVDRJESA-N 366.461 2.902 0 50 FFAA O=C(NCc1ccco1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 846480 GEQAIBVXKAXREQ-IBGZPJMESA-N 374.396 2.803 0 50 FFAA CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(CCO)Cc1ncc[nH]1 1772707350 YKLSMPMKQUOMHZ-OAHLLOKOSA-N 351.834 2.632 0 50 FFAA O=C(COc1ccc(Cc2ccc3c(c2)OCO3)cc1)NC[C@@H]1CCCO1 1772816595 WSMFQWIFLGZIFT-SFHVURJKSA-N 369.417 2.680 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN3CCSCC3)C2=O)cc1 11838883 KTTZZGZDOFQPAB-FQEVSTJZSA-N 362.539 2.712 0 50 FFAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CSC)C1 11998340 SSTBHSGLLBKUTQ-IBGZPJMESA-N 365.495 2.990 0 50 FFAA O=C(CCn1cccn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12301036 NJRFQDOUWSGYAG-NRFANRHFSA-N 372.513 2.695 0 50 FFAA CC(C)CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12585295 GULKIOBEWLXERY-HXUWFJFHSA-N 367.493 2.645 0 50 FFAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)CSC)C2)cc1 12836771 LDZPAIMCAWVJTR-KRWDZBQOSA-N 350.528 2.771 0 50 FFAA CCOCc1nn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2s1 13999769 UQBFZCZDPKHGHK-UHFFFAOYSA-N 364.814 2.593 0 50 FFAA Cc1ccc(-n2cc(CN(C)C[C@@H](O)CO)c(-c3cccc(C)c3)n2)cc1 15079428 QAGVLMBALFVJSG-OAQYLSRUSA-N 365.477 2.941 0 50 FFAA C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 19830894 DXEFUZJKOAJWMG-BXUZGUMPSA-N 351.244 2.813 0 50 FFAA CCC(=O)Nc1nnc(S[C@H](CC)C(=O)Nc2nccs2)s1 2848119 NBVQHTVXMSEKFE-SSDOTTSWSA-N 357.486 2.853 0 50 FFAA COC(=O)c1cc(Cl)ccc1NC1=NS(=O)(=O)c2ccccc21 2970589 RSJQKNDWZOZMSG-UHFFFAOYSA-N 350.783 2.688 0 50 FFAA Cc1cc(S(=O)(=O)NCCCn2ccnc2)c(C)cc1Br 4810417 CSMXGWICFDCTPW-UHFFFAOYSA-N 372.288 2.631 0 50 FFAA Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 4520739 PCXQYYFRIBZXRM-UHFFFAOYSA-N 354.387 2.504 0 50 FFAA Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(CCC(F)(F)F)C[C@]23CC[C@H]1O3 1857710294 PMWUUFHVINCWSV-ZOMKSWQUSA-N 372.387 2.750 0 50 FFAA Cc1cccc(C(=O)N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1Cl 1857717550 OWIVTKJXQGJTTR-NEYJZJCJSA-N 371.864 2.857 0 50 FFAA CCCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(c3nccs3)C2)s1 1857731615 MGQUFMZFTSHQDO-LLVKDONJSA-N 364.496 2.530 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CCCc4ccccc4)[C@@H]2CC(=O)N13 1857731668 WEKQHCHTYZJDCE-UEXGIBASSA-N 356.466 2.594 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3cccnc3C)[C@H]3CC[C@]2(C1)O3 1857738655 RMUNTFIQZNWLLD-GPQLQYNLSA-N 369.509 2.956 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)CCC3CCCCC3)C2)n1 333267781 BZBMMCKNDCCFAS-SFHVURJKSA-N 368.547 2.907 0 50 FFAA Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)sc1C(=O)O 333239473 WBKQVNHPXMYCBV-WUHRBBMRSA-N 353.465 2.587 0 50 FFAA CCCc1cc(N2CCO[C@@H](c3cccc(OC)c3)C2)n2ncnc2n1 154211844 SXMXLOHAHDDCTM-QGZVFWFLSA-N 353.426 2.663 0 50 FFAA CCCN1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 267399973 YGQNSYIIYIZEKL-CEWLAPEOSA-N 372.557 2.928 0 50 FFAA O=C(c1ccn(Cc2ccccc2)n1)N1CC(O)(c2ccc(Cl)cc2)C1 802668866 HBGXLIUGVCTCKF-UHFFFAOYSA-N 367.836 2.928 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCn3nc(C(C)(C)C)cc3C2)cc1 834503511 UTJQYDSFXBJHSP-UHFFFAOYSA-N 366.465 2.639 0 50 FFAA O=C1C[C@H](c2ccccc2)NC(SCC(=O)NCc2ccccc2)=N1 2745870 SJZKXVWPYLWTNS-MRXNPFEDSA-N 353.447 2.653 0 50 FFAA O=C1CC(c2ccc(COC(=O)c3cc4c(cc3F)OCC(=O)N4)cc2)C1 2325781075 IOMXKPVHBCWWQO-UHFFFAOYSA-N 369.348 2.960 0 50 FFAA CN(C)[C@H](CNc1ccc2nnc(Br)n2n1)c1ccccc1 881746791 ROADPKLOOJZFBA-GFCCVEGCSA-N 361.247 2.602 0 50 FFAA Cc1c(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)cnn1C 2356150217 RHRLPMBOHMDLNH-QFIPXVFZSA-N 366.509 2.928 0 50 FFAA COc1ccc(N(C(=O)c2ccccc2F)[C@@H]2C=CS(=O)(=O)C2)cc1 4076247 ZLLPZAFISORERT-CQSZACIVSA-N 361.394 2.792 0 50 FFAA CC(C)=CCN1CCN(Cc2ccc(-n3cccn3)cc2)C[C@H]1CCO 104368891 VGQBLRCYXHGLAI-OAQYLSRUSA-N 354.498 2.707 0 50 FFAA COc1ccccc1-c1nnc(SCC(=O)Nc2nccs2)n1C 8298005 YFHPCUWOMONVAK-UHFFFAOYSA-N 361.452 2.678 0 50 FFAA Cc1c(C)n(-c2cccnc2)c2ncnc(NCCCN3CCOCC3)c12 20547540 UBCRHHQYLSIQTG-UHFFFAOYSA-N 366.469 2.567 0 50 FFAA CC(C)c1ccc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 55562774 HNBONPVYOQPQRY-UHFFFAOYSA-N 355.438 2.800 0 50 FFAA CCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2cccnc2)C1 55370045 KYCGKSSEKWSNHK-WUTDNEBXSA-N 363.461 2.992 0 50 FFAA COc1ccc(CN2CCN(c3noc(C(C)C)n3)C[C@H]2CCO)cc1C 106975446 FSXNOBGKVFEPPW-QGZVFWFLSA-N 374.485 2.583 0 50 FFAA Cc1cc(C)c(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c(=O)[nH]1 55413256 QTTCAJBJGCSCOC-KRWDZBQOSA-N 358.413 2.952 0 50 FFAA Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1C(C)(CO)CO)OCO2 65395782 QTGICLKTAIQQIG-UHFFFAOYSA-N 366.417 2.954 0 50 FFAA CCC(CC)N1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67855688 FJPLAJIYRYCJCP-FQEVSTJZSA-N 361.461 2.847 0 50 FFAA CC(C)C[C@@]1(CO)N[C@H](c2nccn2C)[C@@H]2CN(Cc3ccccc3)C[C@@H]21 65455742 FCIACPAPVAWNIN-AQCRLBJHSA-N 368.525 2.590 0 50 FFAA O=C(NC1CCC(C(F)F)CC1)C1CCN(C(=O)N2CCCC2)CC1 332454364 GQCLGRRVRHZISQ-UHFFFAOYSA-N 357.445 2.854 0 50 FFAA Cn1c(O)nc2ccc(C(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc21 330080110 JEHUFUSEFXOOMA-NRFANRHFSA-N 363.417 2.941 0 50 FFAA O=C(NS(=O)(=O)Cc1ccc(Cl)c(F)c1)c1sccc1F 253418361 MZNPEJRJLAOROL-UHFFFAOYSA-N 351.783 2.940 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCCC2)CC1)c1ccc(O)c(Cl)c1 216285346 HCIRJUWOBPNYON-UHFFFAOYSA-N 365.861 2.846 0 50 FFAA CN1C(=O)C[C@@H](C(=O)NCc2csc(N3CCCC3)n2)c2ccccc21 216276361 GVLBTGBHECLFJS-OAHLLOKOSA-N 370.478 2.510 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC2(c3ncon3)CCOCC2)o1 364080065 CWPAPSYGDVIGJI-XJFOESAGSA-N 357.410 2.712 0 50 FFAA O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1ccc2nccnc2c1 12712342 YSGXJACULLYSNT-MRXNPFEDSA-N 352.438 2.541 0 50 FFAA CCOCCN1CCN(C(=O)c2c(-c3ccccc3)ccnc2C)CC1 215863527 OAOWNJGOFORDHH-UHFFFAOYSA-N 353.466 2.851 0 50 FFAA Cn1ccnc1COc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 133280473 IKJYBGVPSICLSW-HNNXBMFYSA-N 351.410 2.781 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)C[C@@H]3CCCCO3)c12 72474765 BRVDCOZGPSLMLU-HNNXBMFYSA-N 352.442 2.739 0 50 FFAA CC[C@H](OC1CCCCC1)C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245987855 FNKJQCDXGAIWHJ-IXDOHACOSA-N 359.532 2.929 0 50 FFAA CN1CCC([C@H]2CCN(C(=O)Nc3cnn(-c4ncccc4F)c3)C2)CC1 372853630 DQYBNKSVCHASKU-HNNXBMFYSA-N 372.448 2.602 0 50 FFAA O=C(NCc1cnn(Cc2ccccc2)c1)c1ccccc1[C@H]1CCNC1 72152612 XYXWIDSOGYJOOJ-IBGZPJMESA-N 360.461 2.938 0 50 FFAA CCCc1nc(N2CCC[C@H](C(=O)c3cccnc3)C2)c2cnn(C)c2n1 72410445 DOOIJLKIGCFADI-HNNXBMFYSA-N 364.453 2.810 0 50 FFAA O=C(Cc1ccccc1F)N1CCC[C@@H](Cc2nnc3ccccn23)C1 375123948 JMHFNEXWGPUAOM-HNNXBMFYSA-N 352.413 2.892 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1 72409718 WSAWLLKAUUUGHC-UHFFFAOYSA-N 372.509 2.865 0 50 FFAA O=C(O)[C@H]1CC2(CCN(c3nc4ccccc4o3)CC2)CN1C(=O)C1CC1 72438735 USRPMRFUCPVMPF-OAHLLOKOSA-N 369.421 2.510 0 50 FFAA O=C(O)COc1cccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c1 262850795 WWLUVJMSSZXYFW-WMZOPIPTSA-N 355.390 2.800 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ccc(F)cc3)CC2)cn1 72447195 LCEIDMHIUFTXQX-UHFFFAOYSA-N 358.369 2.668 0 50 FFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCC(CCn2cccn2)CC1 82091589 WPCGUCJGSQWTNC-FQEVSTJZSA-N 367.497 2.744 0 50 FFAA CCc1cc(N2CCC(Oc3ccccc3OC)(C(=O)O)CC2)nc(C)n1 82115470 LRAUAUABRGOQPE-UHFFFAOYSA-N 371.437 2.859 0 50 FFAA COCCN1CCC[C@@H](CNC(=O)N2CCC(c3ccccc3)CC2)C1 426441926 QMIQTZKADMGJQD-SFHVURJKSA-N 359.514 2.934 0 50 FFAA COc1ccc(C2(CNC(=O)c3cn4cccnc4n3)CCCC2)cc1 97717163 CBDSOBDTFKCYGW-UHFFFAOYSA-N 350.422 2.980 0 50 FFAA CCn1c(-n2nc(C)nc2CCCN2CCCCC2=O)nc2ccccc21 97679739 NAUNALWFSTXTQY-UHFFFAOYSA-N 366.469 2.890 0 50 FFAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95352353 OOUOTNMPWCXDJF-GOSISDBHSA-N 355.438 2.994 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91894465 UIOKCWMYEKMTGA-OAQYLSRUSA-N 355.482 2.655 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)cc1OC)CC2 91943137 ZIKYFCYWNOYQBX-UHFFFAOYSA-N 368.481 2.736 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1n[nH]c3ccc(C)cc13)C2 95506930 WQBBGEGEONGBDW-ZDUSSCGKSA-N 351.406 2.861 0 50 FFAA CCCc1nc(C)cc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)n1 91932727 GGYNERFUVVJQQV-FUHWJXTLSA-N 365.481 2.760 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1nn(C)c2c1CCCC2 95388117 KOBYQLWDUXGASR-UHFFFAOYSA-N 351.410 2.621 0 50 FFAA COCC[C@]1(CO)CCCN(C2CCN(c3ccc(F)cc3)CC2)C1 91452350 KJQPCTWKWHRRRQ-HXUWFJFHSA-N 350.478 2.906 0 50 FFAA COC(=O)[C@@]12[C@H]3[C@@H]4CCC[C@@H]4[C@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CCC[C@H]1[C@H]3[C@]42C(=O)OC 247815794 GCDQAWCNVSODCP-ABAPIWCTSA-N 356.462 2.903 0 50 FFAA c1ccc(CN2CCCO[C@H](CN3CCC(c4cc[nH]n4)CC3)C2)cc1 244633213 FZEMNNZYSHVMGZ-HXUWFJFHSA-N 354.498 2.880 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2SCCc3sccc32)c1 268901587 FXBBGOVTJDZLEV-INIZCTEOSA-N 363.460 2.858 0 50 FFAA CN1CCC[C@H](NC(=O)N(CCc2ccccc2)Cc2ccccn2)C1 534671152 WXGAIMXXGNHWOW-FQEVSTJZSA-N 352.482 2.930 0 50 FFAA O=C(NC[C@@H]1CCOC1)c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1 534661885 XSQLVKLMOGFGLM-AWEZNQCLSA-N 370.428 2.649 0 50 FFAA O=C(NCc1nnc2ccccn12)N(Cc1ccsc1)C[C@@H]1CCCO1 534653707 LQCIZFKRNCSQLF-HNNXBMFYSA-N 371.466 2.682 0 50 FFAA Cc1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)c2cccnc2)cc1C 534648405 YMXTZUYUQYXIMD-IBGZPJMESA-N 366.465 2.695 0 50 FFAA COc1cccc(C(=O)NCCC(=O)NCc2csc(C(C)C)n2)c1 299793742 HDDQFQGYEGOXGA-UHFFFAOYSA-N 361.467 2.711 0 50 FFAA CCn1cc(-c2cccc(C(=O)NCc3ccc(C(=O)N(C)C)o3)c2)cn1 299786714 PNEPATUKQFVASB-UHFFFAOYSA-N 366.421 2.795 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC[C@H](n2cccn2)C1 291343622 WRWMUCMNNVVORG-RISCZKNCSA-N 369.391 2.836 0 50 FFAA CCN(CCn1cccn1)C(=O)NC[C@H](c1cccnc1)N1CCCCC1 584895150 ALIONZAVKRQMNF-LJQANCHMSA-N 370.501 2.537 0 50 FFAA COc1cc([C@@H](C)NC(=O)c2ccn(C(F)F)n2)cc(OC)c1OC 584895392 YFIBECYBIFFMTP-SECBINFHSA-N 355.341 2.795 0 50 FFAA O=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2nsnc2c1 670434418 UBIXIBKUYDUMKX-UHFFFAOYSA-N 371.397 2.540 0 50 FFAA O=C(Cc1ccco1)N[C@@H]1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875403397 VRAKCNMRARIXNR-KFKAGJAMSA-N 365.433 2.642 0 50 FFAA Cc1nccn1-c1ccc([C@@H](C)NCc2cnn3c2CN(C)CC3)cc1 952889438 CYOUZMWXQYADGG-OAHLLOKOSA-N 350.470 2.673 0 50 FFAA CC[C@@H](NC(=O)C1(C(=O)O)CCC1)[C@H](O)c1ccc(C(F)(F)F)cc1 1875270795 CCTZMEVWZPXECC-CHWSQXEVSA-N 359.344 2.889 0 50 FFAA CCn1cc(C(=O)N(C)CC[C@@H](Nc2ccnc(C)n2)C(C)C)c(C)n1 1875312741 SFISNUXHNBYWBF-QGZVFWFLSA-N 358.490 2.909 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1875365305 OGVONNZNQROSEX-IYBDPMFKSA-N 371.481 2.663 0 50 FFAA Cn1ncc(C(=O)NCCc2cc(O)cc(F)c2)c1Cc1ccccc1 1875358413 VKSMDORKFDYMOF-UHFFFAOYSA-N 353.397 2.828 0 50 FFAA O=C(c1cccc2cc(O)ncc12)N1CC[C@@](O)(c2cccc(F)c2)C1 1875359418 CRBUDPMNSLTTAD-FQEVSTJZSA-N 352.365 2.813 0 50 FFAA CC(C)[C@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@@H]1N(C)C 1565513381 WGOGTTKVXFRXOB-UXHICEINSA-N 357.542 2.695 0 50 FFAA C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 272190750 BJDOGKCFZRZMRP-SJLPKXTDSA-N 359.514 2.566 0 50 FFAA NS(=O)(=O)c1cccnc1NCCOc1cccc(Cl)c1Cl 170626314 FNKWTDDRYSCWJZ-UHFFFAOYSA-N 362.238 2.527 0 50 FFAA C[C@H]1C(=O)N(C)CCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12 186839085 AGQHWAMCOPHBKQ-INIZCTEOSA-N 361.445 2.992 0 50 FFAA CCn1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc21 797245970 SJEYNYKUNADAOW-UHFFFAOYSA-N 370.430 2.715 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCCN(C(=O)c2ccco2)CC1 1506397912 YTUWNBDSOUTJDJ-SFHVURJKSA-N 372.421 2.570 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccccc1-c1nc[nH]n1)C1CC1 1506431590 QJNXXODAZFYWJB-UHFFFAOYSA-N 350.426 2.627 0 50 FFAA CCN(Cc1ccccc1)C(=O)C1CCN(c2ncc(F)c(OC)n2)CC1 1529189545 RDQDCBJEFGSBNN-UHFFFAOYSA-N 372.444 2.889 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3nc(-c4ccccc4)cs3)C[C@H]2O)n[nH]1 1529173006 KSGQCXSJWKRZGN-CRAIPNDOSA-N 354.479 2.877 0 50 FFAA Cc1ccc(N2CCC(N3C[C@H](Cc4ccncc4)[C@@H](O)C3)CC2)cc1 1616075079 HKFKFNWRWVNJIR-UGKGYDQZSA-N 351.494 2.894 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1Cl 869391 XYKQTNADKYAFSD-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA O=C(NCc1[nH]nc2ncccc12)[C@@H](c1ccc(F)cc1)N1CCCCC1 1772807245 SQOYCHYPSVEGGD-GOSISDBHSA-N 367.428 2.940 0 50 FFAA CN(CCc1ccccn1)c1nc2nonc2nc1NCc1ccccc1 11936812 RCLQQRVZGZTKIA-UHFFFAOYSA-N 361.409 2.699 0 50 FFAA COc1cccc(-c2cc(CC3(O)CCN(Cc4cc[nH]n4)CC3)on2)c1 12443682 VCAOVSQPIWWABB-UHFFFAOYSA-N 368.437 2.643 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc(COc2cc(C)ccc2C)on1)C(C)C 14974352 MAQNGJWUOKEHGC-KRWDZBQOSA-N 360.410 2.798 0 50 FFAA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)NCc4ccncc4)c(=O)n1c23 2355390 XBZYVYXPWKSSJF-NSHDSACASA-N 367.380 2.678 0 50 FFAA COc1ccccc1N1C(=O)C[C@H](SCC(=O)Nc2ccccc2)C1=O 2862044 SRHSJGANHRNGIC-INIZCTEOSA-N 370.430 2.699 0 50 FFAA COC(=O)c1ccc(NC(=O)c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1 4808874 VECZYMCOEMMLCQ-UHFFFAOYSA-N 371.345 2.576 0 50 FFAA Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 4853799 RJJBLSWSILZACP-UHFFFAOYSA-N 364.442 2.854 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCc4c(O)nc(-c5cccnc5)nc43)C2)nn1 1857728582 IEOQMZAACBVZCF-OAQYLSRUSA-N 374.448 2.827 0 50 FFAA O=C(C1CCCC1)N1CC[C@@H](Nc2nc(C(F)(F)F)nc3[nH]cnc23)C1 240321586 FANXWQDFTGNQGM-SNVBAGLBSA-N 368.363 2.575 0 50 FFAA O=C(NCc1ncccn1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 772700503 XMASWHROKIDHTB-SFHVURJKSA-N 359.385 2.861 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)s2)c(C)c1 148397340 KCBJXGDAACUQRQ-QGZVFWFLSA-N 364.492 2.734 0 50 FFAA CN(C(=O)c1cnc(Cl)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 839336212 VOBLGFMSQUIDEB-LBPRGKRZSA-N 368.865 2.992 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ncc(Br)s1 333521047 KQRGSIJBXIMONX-RJVLYZLMSA-N 353.241 2.603 0 50 FFAA CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 12647661 MGQLPZBNIHMZHB-UHFFFAOYSA-N 369.469 2.772 0 50 FFAA Cc1ccc([C@@]23C[C@@H]2CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C3)cc1 2325779135 INPGOUHEEVQMOT-GCJKJVERSA-N 363.461 2.696 0 50 FFAA CC[C@@H](NC(=O)Cc1cccc(N)n1)[C@@H](O)c1ccc(C(F)(F)F)cc1 2325801444 IRNYLYKIPANAJT-PBHICJAKSA-N 367.371 2.854 0 50 FFAA N[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc2c[nH]nc2c1 2325861726 YXWMOWVVTCQYBX-AWEZNQCLSA-N 359.227 2.834 0 50 FFAA CS[C@@H]1CCC[C@H](NC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)C1 247634185 TYXLPFSIDSPIJB-MHORFTMASA-N 369.575 2.728 0 50 FFAA CCOC(=O)C[C@@H]1COCCN1Cc1nc(-c2ccsc2)oc1C 20537510 LHHBCKGNROVUFN-CQSZACIVSA-N 350.440 2.866 0 50 FFAA Cc1c(NC(=S)NCc2ccccc2)c(=O)n(-c2ccccc2)n1C 872909 WDZAMRHSZUOWHM-UHFFFAOYSA-N 352.463 2.971 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc(Cl)c1O 1189627 VTCOWANFFVHOAV-ZDUSSCGKSA-N 354.790 2.634 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1F 2356137411 XEOQXBBSGILJAV-HXUWFJFHSA-N 360.429 2.523 0 50 FFAA Cn1cccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3=O)c1=O 2356138553 OGUCTNNWDHXJPO-QFIPXVFZSA-N 365.477 2.543 0 50 FFAA CN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2sc3ccccc3c2Cl)C1 2356161767 JBSYOENCPQFRQU-CHWSQXEVSA-N 352.887 2.826 0 50 FFAA NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 2813786 GOBNGGDCRDDODL-UHFFFAOYSA-N 363.420 2.612 0 50 FFAA COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3cccnc3)C2)cc1Cl 4757668 PTFUYXUPONMBGH-INIZCTEOSA-N 361.785 2.884 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 106032670 CJRPIWXKFZGNEK-UHFFFAOYSA-N 364.902 2.510 0 50 FFAA O=C(NCc1ccc(F)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100331714 FAJYOWADSFVCJF-UHFFFAOYSA-N 352.365 2.722 0 50 FFAA Cc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)o1 104449771 FPYPFFLWBMCETP-LJQANCHMSA-N 360.502 2.578 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cn1 67676363 XFRANIYNJDRJSM-AWEZNQCLSA-N 351.410 2.624 0 50 FFAA CN(Cc1ccco1)C1CCN(c2cccc(N3CCNC3=O)c2)CC1 20906165 JGOXBXIPDZGISU-UHFFFAOYSA-N 354.454 2.910 0 50 FFAA Cc1ncc(CO)c(CN2CCc3[nH]cnc3[C@H]2Cc2ccccc2)c1O 67741353 NYQBUDPOFZLSIS-LJQANCHMSA-N 364.449 2.653 0 50 FFAA O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCCN1C(=O)c1cccs1 121761656 OIFWVMNNBATBDS-WTTBNOFXSA-N 374.506 2.817 0 50 FFAA Cc1nsc2ncn(CC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)c12 283098059 RBEYIBYNLMBWBD-OAHLLOKOSA-N 368.462 2.697 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)N3CCC([C@H]4CCCO4)CC3)cn2)C[C@@H](C)O1 253340684 KTFZEQWEUWAKBG-GPMSIDNRSA-N 373.497 2.726 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCCC[C@@H]2c2ncon2)CC1=O 123638618 CFZOEPIVJHCUDB-DJIMGWMZSA-N 368.437 2.733 0 50 FFAA CC[C@H](Sc1nc(N)n[nH]1)C(=O)N(Cc1ccccc1)CC(F)F 253404820 SLMDQJOQIGOGRG-NSHDSACASA-N 355.414 2.552 0 50 FFAA O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N(c1ccccc1)C1CCCC1 153588183 PLCNOSFUBMJDNO-QGZVFWFLSA-N 361.467 2.982 0 50 FFAA CC(=O)c1cn([C@H](C)C(=O)NCCSc2nc(C)n[nH]2)c2ccccc12 219296851 LMQJRMCBKVAXPL-LLVKDONJSA-N 371.466 2.740 0 50 FFAA CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1c(F)cccc1Cl 133139086 UKTSAYBHSCNHJJ-AWEZNQCLSA-N 357.838 2.911 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 72167633 PWJSIBYQHLPDHG-UHFFFAOYSA-N 351.362 2.662 0 50 FFAA Cc1nnc2n1C[C@H](NC1CCN(Cc3ccccc3Cl)CC1)CC2 378469181 GSHGMTMTURMNOV-QGZVFWFLSA-N 359.905 2.809 0 50 FFAA Cn1nccc1COCC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 284721303 FVUWGVBEIMTOBC-AWEZNQCLSA-N 374.510 2.678 0 50 FFAA O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(-c2nnc(S)o2)cc1 128388916 RXECKTRMRLWFIE-MCIONIFRSA-N 357.435 2.713 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c1 72147104 ZBSJTNBKYLEBCO-CQSZACIVSA-N 369.437 2.732 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3cccc(-c4nnn[nH]4)c3)cc2)n1 77319758 KANJYQXCMYWNFA-UHFFFAOYSA-N 373.420 2.599 0 50 FFAA CC[C@H](CO)N(Cc1ccncc1)C(=O)c1nc2cc(C)ccn2c1F 216107958 HQWUYAFHKISWQY-OAHLLOKOSA-N 356.401 2.590 0 50 FFAA O=C1CC[C@H]2CN(C/C=C/c3ccco3)CC[C@H]2N1CCc1c[nH]cn1 72479312 LCAVMYLYOVFNFE-GAYPVSMBSA-N 354.454 2.572 0 50 FFAA CCCn1nccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 72467838 IVZXGAYBHKSTMF-UHFFFAOYSA-N 355.467 2.865 0 50 FFAA C[C@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)C[C@H]1C 241139431 JQVWJKPHDILHLR-YGTYGHESSA-N 363.477 2.546 0 50 FFAA CN(C)Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)o1 72141843 YUACZFFBSPDMLM-IBGZPJMESA-N 367.493 2.657 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)NS(=O)(=O)c1ncccc1F 242304963 YTQPXAMOSAKQKU-UHFFFAOYSA-N 361.398 2.530 0 50 FFAA CC(C)N1CCC(CNC(=O)N2CCC[C@@H](OCc3ccccn3)C2)CC1 426533894 XBBIIENYYXKBRZ-HXUWFJFHSA-N 374.529 2.893 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCc2ccccc2O1 223355612 ZZJCZOTXPFXNDD-FQEVSTJZSA-N 351.450 2.556 0 50 FFAA CC(C)CNC(=O)CN1CCC[C@H](c2nccn2Cc2ccccc2)C1 82114369 JTTRWCBCAAOQNL-IBGZPJMESA-N 354.498 2.883 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c1 426386475 URHRFMJIBYMUNZ-HNNXBMFYSA-N 370.409 2.582 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1 426535639 GDDUMJHMKMYTNU-QGZVFWFLSA-N 353.426 2.959 0 50 FFAA Cc1nn(C)cc1NC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 426632860 JJCHERKRQSIHFM-MSOLQXFVSA-N 353.470 2.857 0 50 FFAA O=C(NCc1ccc2c(c1)CCO2)N1CCC[C@H](OCc2ccccn2)C1 426530807 MCDHUCOCSJXDPZ-IBGZPJMESA-N 367.449 2.907 0 50 FFAA O=C(c1cccc(Cl)c1)N1CCn2nc(CNc3ncccn3)cc2C1 426387747 QTSDMJAKVLIKIF-UHFFFAOYSA-N 368.828 2.595 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN([C@@H](C(=O)O)c1c(C)noc1C)CC3 95356286 DOBBIVXAKDJMRT-GOSISDBHSA-N 355.394 2.965 0 50 FFAA Cc1nc(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)cs1 95359838 ZSGJXJYQAITHGR-QGZVFWFLSA-N 369.490 2.659 0 50 FFAA CCN(Cc1ccc(C)o1)C(=O)NC[C@@H](c1ccccn1)N1CCOCC1 426387202 CUACBISKMLHWRG-IBGZPJMESA-N 372.469 2.588 0 50 FFAA O=C(NCCc1ccccc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 91350874 HMJRKZNXRJUYBL-TZIWHRDSSA-N 364.493 2.930 0 50 FFAA O=C(COC[C@H]1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 91914902 DSOUWLZXOVZVHM-CQSZACIVSA-N 373.280 2.838 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)n1 91254496 IBWHKXVKPUADDZ-UHFFFAOYSA-N 368.485 2.827 0 50 FFAA CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cn3)cc2)CC1 426589713 DCLWXYWJSYACQL-UHFFFAOYSA-N 357.385 2.802 0 50 FFAA CN1CCC(CNC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)CC1 426434494 QLHLAVHRDOSEKX-NRFANRHFSA-N 373.541 2.744 0 50 FFAA COc1coc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1=O 91390733 FFGURNNRHHKEJA-FUHWJXTLSA-N 372.440 2.884 0 50 FFAA Cc1nc[nH]c1CSCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 95363769 HDKICIUNPSOJEN-UHFFFAOYSA-N 368.462 2.737 0 50 FFAA Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C(=O)NC(C)C)cc2)n1 92020428 VGAGHVCQENSAFU-LBPRGKRZSA-N 367.496 2.629 0 50 FFAA CC1(C)Cc2cc(CNC(=O)c3coc(CN4CCOCC4)c3)ccc2O1 95362051 GZCCAIKEBVQSNJ-UHFFFAOYSA-N 370.449 2.755 0 50 FFAA O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCC[C@H](n2cncn2)C1 181112069 LXMGKBNRQBOPQV-NSHDSACASA-N 361.356 2.961 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCCO[C@@H](CN2CCCC2)C1 91906582 TVPRZSJNLXBKGK-HNNXBMFYSA-N 351.516 2.902 0 50 FFAA O=C(NCCCN1CCNCC1)c1cc(-c2ccccc2)nc2ccccc12 238033342 PGVBKLQPVKCWSI-UHFFFAOYSA-N 374.488 2.927 0 50 FFAA Cc1nc2c(c(NCCCN3CCC[C@H](O)C3)n1)Cc1ccccc1OC2 97532400 FEGUZNFDULENDJ-KRWDZBQOSA-N 368.481 2.527 0 50 FFAA COc1ccc([C@@H]2CN(Cc3c[nH]c(C)n3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95380584 TZISYOQTCOWWFE-PWRODBHTSA-N 352.482 2.789 0 50 FFAA O=C(NC1CCN(c2cnccn2)CC1)c1ccc([C@H]2CCCO2)s1 91364476 UAYRNSOUNYYMMK-CQSZACIVSA-N 358.467 2.788 0 50 FFAA CN(C)c1nsc(N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)n1 97475627 IGIYEYNPBQIBNJ-UHFFFAOYSA-N 362.409 2.835 0 50 FFAA CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](N(C)C)C2)c1 96166593 JHZOUXZDDQWSAV-ZDUSSCGKSA-N 352.866 2.646 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCc3n[nH]cc3C1)O2 244659593 HFLQGYMYXYQDQX-FQEVSTJZSA-N 355.438 2.709 0 50 FFAA Cc1cc(C)n2nc(C)c(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2n1 298704114 ILIBHALYGFVOHO-OAHLLOKOSA-N 366.421 2.567 0 50 FFAA CN1C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c2ccccc21 299750013 MKHBBMVXKZFPLJ-CVEARBPZSA-N 370.380 2.608 0 50 FFAA CC(C)Cn1cncc1CNC(=O)N1CCN(Cc2ccc(F)cc2)CC1 534642371 XLEYVTKGSXHQMA-UHFFFAOYSA-N 373.476 2.706 0 50 FFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1 299759285 PWGWPFYJIDKMKU-HXUWFJFHSA-N 366.465 2.517 0 50 FFAA OC[C@@]1(O)CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 299775094 JSVKMXBBFQGNSC-OAHLLOKOSA-N 358.385 2.758 0 50 FFAA Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cn(C)nn1 952853122 OQSWGLJRFZKPOH-AEFFLSMTSA-N 357.458 2.655 0 50 FFAA O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N1CC[C@@H](c2cccc(O)c2)C1 1875285329 KBLNXGCRBABUAS-DYVFJYSZSA-N 354.381 2.658 0 50 FFAA CCOC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1cc(F)ccc1C 1875345531 AQHUCGRYBKSISL-OAHLLOKOSA-N 350.434 2.670 0 50 FFAA COCc1sccc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)[C@@H](C)SC)C1 1875333005 UTBFSQXVDFNJID-JHJVBQTASA-N 370.540 2.803 0 50 FFAA C=CC(=O)NCCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c(c1)CCO2 1875385800 BQBBBPKSAKWSTG-QAPCUYQASA-N 356.466 2.945 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1 1875373553 FQVBHNRGUIBABR-KRWDZBQOSA-N 352.390 2.904 0 50 FFAA CN1Cc2cc(S(=O)(=O)N(C)[C@H]3C[C@@H]3c3ccccc3)ccc2OC1=O 1875306108 TVKFVTVPDGTNQS-SJORKVTESA-N 372.446 2.807 0 50 FFAA OC[C@@H]1CCCCN1CCNCc1ccc(CN2CCCCC2)s1 952969990 PPUFEGYSMMZJMR-KRWDZBQOSA-N 351.560 2.670 0 50 FFAA CO[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1c1cn(C)nn1 886094277 ZMZGTZMJGRXMAY-FXAWDEMLSA-N 356.470 2.751 0 50 FFAA CO[C@H]1CCCCN(CC(=O)Nc2ncccc2-c2ccccc2)C1=O 886074555 CDPRJHUZQSAAQN-KRWDZBQOSA-N 353.422 2.715 0 50 FFAA COc1coc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)cc1=O 1565508330 FFGURNNRHHKEJA-AEFFLSMTSA-N 372.440 2.884 0 50 FFAA C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)c2C1 1466087378 RRCBEKWBGSBGKK-LRDDRELGSA-N 370.428 2.599 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cccc(OC(F)F)c1)C2 1073381416 KIXGTFJZEKUQAU-OCCSQVGLSA-N 367.396 2.506 0 50 FFAA C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCN1CC(C)(C)O 170086751 CLPXAACSFNPPTH-INIZCTEOSA-N 362.489 2.941 0 50 FFAA O=S1(=O)N=C(NC2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 301055790 ACRNQEJWIQOVST-UHFFFAOYSA-N 373.453 2.529 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)C3CCC(OC)CC3)CC[C@@H]21 216815348 BPWPCUNWEMXZCX-FPQWYMTMSA-N 350.503 2.831 0 50 FFAA Nc1nc(N2CCCC2)cc(N2CCC3(CC2)OCCc2ccsc23)n1 1704339727 KBRGNJCLOBWHAU-UHFFFAOYSA-N 371.510 2.789 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)c1 1704298354 HRGWEYHYVMMMGN-QZTJIDSGSA-N 369.483 2.674 0 50 FFAA COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1192341 QKACWPLTXZQHBX-UHFFFAOYSA-N 353.827 2.704 0 50 FFAA CCn1ncnc1CN1CCCN(C(=O)c2ccc3oc(C)cc3c2)CC1 1775980141 VKZBPBNHGBYWAV-UHFFFAOYSA-N 367.453 2.701 0 50 FFAA Cc1ccc2c(C(=O)NC3CCN(C4CCSCC4)CC3)cnn2c1 1772701310 NLKNXUHJPVOHJW-UHFFFAOYSA-N 358.511 2.733 0 50 FFAA COCCN(C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 12575351 CZYWCUUXULSUQB-UHFFFAOYSA-N 371.359 2.717 0 50 FFAA O=C(c1cccnc1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 15072219 BZLLQKAHMFALEH-NRFANRHFSA-N 367.424 2.876 0 50 FFAA COc1cccc(CC(=O)NC2CCN(Cc3c(C)noc3C)CC2)c1 169751645 HXUCJXNROIOXJH-UHFFFAOYSA-N 357.454 2.623 0 50 FFAA Cc1ccc(SCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 4196845 BNLVQOUVYIBSJC-UHFFFAOYSA-N 365.476 2.837 0 50 FFAA N=c1[nH]cc(-c2nccn2C23C[C@H]4C[C@@H](CC(n5cncn5)(C4)C2)C3)s1 1857678887 UBJWZUCMNFVCRZ-LGBHXNNWSA-N 367.482 2.715 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1)C2 212006539 BBWJJONRAOWSQR-WBVHZDCISA-N 368.437 2.946 0 50 FFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 1124568 GBGIBKKBQMDWDS-UHFFFAOYSA-N 374.824 2.830 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)Cc2cc(C)ccc2C)C1=O 157308302 WQXAVRWDJOFTCG-KRWDZBQOSA-N 352.434 2.776 0 50 FFAA C[C@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1cn(C)nn1 902802803 CJBQCPZDLBPVIG-KGLIPLIRSA-N 350.426 2.874 0 50 FFAA C[C@H](Oc1cccc(CO)c1)C(=O)N(C)CCCC(=O)Nc1ccccc1 2325739218 XAYBNBVRYMTNIF-INIZCTEOSA-N 370.449 2.824 0 50 FFAA CC(C)C1=CC[C@@H](CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 2325810832 HSRMYTNIFAAALE-QGZVFWFLSA-N 354.560 2.564 0 50 FFAA C[C@H](Cc1ccc2c(c1)CCC(C)(C)O2)N=c1[nH]c(C2CC2)nc(=N)[nH]1 2325824171 ROWFGHNTPKMPIL-GFCCVEGCSA-N 353.470 2.730 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)nn1C 2356138954 SWJGECJZIKCGGZ-OAQYLSRUSA-N 366.465 2.526 0 50 FFAA COC(=O)[C@]1(c2ccccc2)CCN(c2c(C)c(C)nc3ccnn23)C1 2356159079 KXIFHMUNHFNRCO-HXUWFJFHSA-N 350.422 2.667 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cn(C)cn3)C2=O)cc1 2356167196 VAOXWFNLILXUBX-FQEVSTJZSA-N 352.438 2.530 0 50 FFAA Cc1nnc(-c2cccc(C(=O)N3CCO[C@H](c4cccc(O)c4)C3)c2)o1 135435560 OTYWRUMJEWELJX-SFHVURJKSA-N 365.389 2.964 0 50 FFAA CCN(C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[C@H](C)Cc1ccsc1 249577551 PWHVXJYYJVVPQV-FVQBIDKESA-N 362.495 2.703 0 50 FFAA COc1ccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c(OC)c1C 39362709 RUEIBFIFDUSPBA-GOSISDBHSA-N 350.503 2.537 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1 65393976 JOYJJKBRLSZAAF-UHFFFAOYSA-N 361.449 2.597 0 50 FFAA O=C1CCCCCN1Cc1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 67803361 DQFZSZKQGBISNA-LJQANCHMSA-N 359.401 2.818 0 50 FFAA CC(C)c1nc(CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)no1 67867439 YJIFKALOSYYUMC-UHFFFAOYSA-N 355.398 2.767 0 50 FFAA CC(C)(C)NC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 77355040 ZZRSBZZHEMBVBS-FQEVSTJZSA-N 358.486 2.794 0 50 FFAA O=C1OCCN1CCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65536420 YIGSFDKCWNRBCN-UHFFFAOYSA-N 353.378 2.755 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)N3CCCC4(CCNCC4)CC3)nn2c1 67788046 ALKRCVXDZSAOLQ-UHFFFAOYSA-N 361.877 2.687 0 50 FFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@H](c2nc3ccccc3o2)C1 230210222 MPFCVZOHGLZQHT-ARFHVFGLSA-N 365.433 2.916 0 50 FFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCC1=O 363404221 KDBUKYYMXDZTIG-QZTJIDSGSA-N 356.470 2.904 0 50 FFAA CCn1ccc(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)cc1=O 215677494 HPBKDRICGLWTAM-SFHVURJKSA-N 357.429 2.574 0 50 FFAA CCc1cc(N2CCN(Cc3ccccn3)CC2)n2nc(C)c(C)c2n1 72479267 OAGUHRWKZWLPIT-UHFFFAOYSA-N 350.470 2.626 0 50 FFAA CCn1c(C)cc(C)c(C(=O)N2CCN(Cc3ccccc3C)CC2)c1=O 77356132 SJAVIVCTHYNWEQ-UHFFFAOYSA-N 367.493 2.751 0 50 FFAA CCOC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)nc1 77504609 MNRNMLOFNANYAS-HXUWFJFHSA-N 359.470 2.876 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(Cc2ccccc2F)CC1 77503442 XQRZVUPBGLNTJS-UHFFFAOYSA-N 357.477 2.930 0 50 FFAA CC[C@@H](NC(=O)c1cc(C)c(C)n(C)c1=O)c1ccc(OC)c(OC)c1 215320713 DLMAMWBVICIVKU-MRXNPFEDSA-N 358.438 2.900 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)C1(c2ccccc2)CCNCC1 237250647 SUDSZBWXGSZBDK-UHFFFAOYSA-N 362.477 2.853 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2ncccc2F)C1 72476048 KDCSWKZGSORPEA-HNNXBMFYSA-N 358.465 2.719 0 50 FFAA Cc1ccc(OC2CCN(C(=O)c3cnc(N(C)C)nc3C)CC2)cc1 77423379 ZPUUXOOTGYJYFC-UHFFFAOYSA-N 354.454 2.843 0 50 FFAA O[C@H]1C[C@@H]([C@H](Cc2ccccn2)NC2CCN(Cc3ccco3)CC2)C1 220339976 TZJFRWFOGORGAI-LRQRDZAKSA-N 355.482 2.611 0 50 FFAA Cc1cc(C(=O)NCc2nc(-c3ncccn3)no2)c2cccc(C)c2n1 82087633 UXYUECOEWBVUEE-UHFFFAOYSA-N 360.377 2.622 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)Cc2c(F)cccc2F)n1 289166701 RLNCRXLTKBPXKZ-CQSZACIVSA-N 350.369 2.526 0 50 FFAA CCCc1cc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n(C)n1 82083310 LCUCFEPFMQEOJW-HNNXBMFYSA-N 355.360 2.855 0 50 FFAA O=C(NCc1nc(-c2ccccc2)no1)N1CC[C@@H](N2CCCCC2)C1 426578799 PJNHQDMVATYJJS-MRXNPFEDSA-N 355.442 2.506 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccc2ncsc2c1 220731904 LHUVWBNAMRDRLO-HUUCEWRRSA-N 355.419 2.658 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)c3cc4ccccc4cn3)C2)n1 426538488 YTCHTKUDONAUOD-INIZCTEOSA-N 364.405 2.536 0 50 FFAA CCc1cnc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)cc2)nc1 426589830 VHSHQLJWVLZARW-LPHOPBHVSA-N 350.466 2.872 0 50 FFAA COCCN1CCC[C@@H](CN(C)C(=O)NCc2ccc3[nH]c(C)cc3c2)C1 426563434 UJWQLLXVHUBVCX-SFHVURJKSA-N 372.513 2.976 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2COc3c(cccc3OC)C2)c(OC)c1 92061884 HIOJEYNGJWKIQN-INIZCTEOSA-N 371.433 2.622 0 50 FFAA O=C(COCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95375143 JOCJWOJIPHSCNE-LEWJYISDSA-N 365.477 2.721 0 50 FFAA O=C(CCc1ccc(O)cc1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 292965393 IFYPUKIEZUEGMM-OAQYLSRUSA-N 357.425 2.918 0 50 FFAA Cc1ccc(CN2CCN(c3ccc(Cl)c(C(=O)O)n3)CC2=O)cc1 95503665 NUEAJRADOBJNPJ-UHFFFAOYSA-N 359.813 2.590 0 50 FFAA Cc1nc(CNC(=O)[C@H]2CCOc3ccccc3C2)nc2c1CCCC2 95511212 UYWFVUNHQVZLSN-INIZCTEOSA-N 351.450 2.921 0 50 FFAA O=C1CCC2(CCN(C(=O)NC3CCCC3)CC2)CN1Cc1ccccn1 91626408 HEFLTHIZFSSTRW-UHFFFAOYSA-N 370.497 2.938 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc4nccn4c3)[C@@H](C)C2=O)c1 92078042 MTMDJMOGLRSEQK-INIZCTEOSA-N 362.433 2.516 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2cn(C)c3ccccc3c2=O)s1 97217560 IRFGJVXYWGOVDZ-UHFFFAOYSA-N 356.447 2.543 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)c(C)c1)CC2 91325736 KVHWJINFYCUZCD-UHFFFAOYSA-N 368.481 2.736 0 50 FFAA Fc1ccc(OC2CN(CCN3CCN(Cc4ccccc4)CC3)C2)cc1 244787617 QAJNBNYSJLNABL-UHFFFAOYSA-N 369.484 2.707 0 50 FFAA O=C(O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OCCCO)[C@@H]1c1ccccc1 244764150 PCFRNRNCXSRKCS-QGFMHUBQSA-N 354.402 2.810 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 299749481 KMOPJIKNQUWDKJ-RHSMWYFYSA-N 372.446 2.624 0 50 FFAA O=C(O)CN(C(=O)CCCOc1ccccc1Cl)C1CCOCC1 299753150 XAPCDRVTPMIBBZ-UHFFFAOYSA-N 355.818 2.591 0 50 FFAA Cc1ccccc1[C@H](CNC(=O)N1CCC(c2ncon2)CC1)N(C)C 534659744 QEHUSQJOLTYLMZ-KRWDZBQOSA-N 357.458 2.570 0 50 FFAA Cn1ccc2c(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cccc21 71384741 YKPPMNNZEVFUJE-UWWQBHOKSA-N 372.494 2.843 0 50 FFAA biogenic CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H]1CC(=O)OC13CCCCC3)C2 299789111 WYVJINNIGWLCCN-HNNXBMFYSA-N 357.454 2.783 0 50 FFAA O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299794739 NPOZEHVEPWWVSC-KBPBESRZSA-N 353.209 2.571 0 50 FFAA CCS(=O)(=O)CCNC(=O)Nc1cccc(CN2CCCC[C@H]2C)c1 299773360 FOIBLYZVUYUIOX-OAHLLOKOSA-N 367.515 2.617 0 50 FFAA O=C(CCNC(=O)c1ccccc1F)NCc1ccc2c(c1)CCCO2 299773660 FEJZFPQEJPPFHW-UHFFFAOYSA-N 356.397 2.587 0 50 FFAA CCOc1cccc(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)c1 823390566 BNPVQMPZVUDAPV-JNKARSBBSA-N 367.453 2.550 0 50 FFAA CN1CCCC[C@H]1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052096 CIIVSHZTAFOACP-SFHVURJKSA-N 358.486 2.534 0 50 FFAA Cc1ccccc1[C@H](NC(=O)NCC1(O)CCN(C)CC1)c1ccccc1 584891831 ZIOJUFRSALGHCN-HXUWFJFHSA-N 367.493 2.840 0 50 FFAA C[C@H]1CNC(=O)CCN1C(=O)c1ccc(-c2ccc3oc(O)nc3c2)cc1 584890947 PCYBFUDHNBTJFQ-LBPRGKRZSA-N 365.389 2.551 0 50 FFAA Cc1cocc1C(=O)N[C@H](C)CN(C)C(=O)COc1ccc(F)cc1F 1875327987 SRAHZRDHZUKXKC-GFCCVEGCSA-N 366.364 2.522 0 50 FFAA COC(=O)[C@]1(CNc2ccc(OC)c(N3CCOC3=O)c2)CC=CCC1 1875319776 RFBFRCILFOZKRE-LJQANCHMSA-N 360.410 2.963 0 50 FFAA CC(C)n1cnnc1C1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875394290 CRAMWHGCZCDMGX-QWHCGFSZSA-N 372.473 2.624 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCCCc2sc(Br)cc21 1875370758 BZUNVMGYZJVUMP-UHFFFAOYSA-N 357.273 2.824 0 50 FFAA Cn1c(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)nc2cnccc21 1875273606 RKKLWMKDYDOCGF-UHFFFAOYSA-N 362.359 2.709 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)OCc1ccccc1 1565530364 JFHMLHAKZDYADZ-MJGOQNOKSA-N 365.433 2.955 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)CCc2ccncc2)C2CCOCC2)n1 275600400 KDSPGKWAJQAIME-KRWDZBQOSA-N 358.442 2.805 0 50 FFAA C[C@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1cc(Cl)cc(Cl)c1 186645756 DSLLRESLLDSOSO-QMMMGPOBSA-N 372.233 2.924 0 50 FFAA O=C(NS(=O)(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 408499285 LUBHYONKHCYFLD-AFLAQZCCSA-N 353.406 2.990 0 50 FFAA O=C(CCC1=NNC(=O)CC1)NCc1cccc(OCc2ccccc2)c1 1506415050 WESLAOJHNQQMJZ-UHFFFAOYSA-N 365.433 2.928 0 50 FFAA CCN(Cc1nc(N)nc(Nc2cccc(C)c2)n1)C[C@@H]1CCCCO1 1529190323 HEUZFJONMYUAJX-INIZCTEOSA-N 356.474 2.897 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1 1704311321 FKFQNIPLJPLZKL-APWZRJJASA-N 366.461 2.765 0 50 FFAA Cc1cc(C)n(-c2ccccc2CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704344423 PWVGOAKGRNIUBI-WIYYLYMNSA-N 365.481 2.556 0 50 FFAA Cc1cnc(CN2CCCN(C(=O)C3(c4ccccc4F)CC3)CC2)cn1 1772710049 NVXUJCJHHRTWTD-UHFFFAOYSA-N 368.456 2.690 0 50 FFAA O=C(CC1CCCC1)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 12246537 INFOYQKMMBBFQH-MOPGFXCFSA-N 372.513 2.693 0 50 FFAA O=C(NCC(=O)N1CCc2ccccc21)N1CCc2c([nH]c3ccccc23)C1 12296682 UPHACBRAOHXONH-UHFFFAOYSA-N 374.444 2.825 0 50 FFAA biogenic Cc1ncoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12705498 ADMXUFQXEBHSNU-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA CCSc1nnc(NC(=O)c2ccc(CN3CCOCC3)cc2)s1 12883326 KUWCYQSPPRXFNN-UHFFFAOYSA-N 364.496 2.735 0 50 FFAA COC(=O)c1cccc(CN2CCN(C(=O)C3CCCCC3)CCC2=O)c1 14997937 YJDJWWNQFMODTF-UHFFFAOYSA-N 372.465 2.614 0 50 FFAA O=C(O)CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCC2 6699099 PBKRZJRKBWQVNP-UHFFFAOYSA-N 372.446 2.970 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)CCc1nc3ccccc3s1)C2 1857689203 ISJMTIUDVJCMBQ-SFHVURJKSA-N 359.451 2.672 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857696452 AVWPXGITTSZENK-MDZRGWNJSA-N 352.482 2.828 0 50 FFAA CN1CCC2(CC1)OCCc1cc(C(=O)N(C)CC(F)(F)F)sc12 1857707638 WZWOXQUCRNPTNQ-UHFFFAOYSA-N 362.417 2.876 0 50 FFAA COc1cc(C(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)ccc1F 119396133 OHLOBJXEOGQYME-OAHLLOKOSA-N 369.458 2.796 0 50 FFAA C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C[C@@H]1CCCS(=O)(=O)C1 329002018 HCAWJRKALZMTTO-MCIONIFRSA-N 353.459 2.875 0 50 FFAA C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ncc(Br)cn1 332521212 ZFQUDALEWKPRRT-PWSUYJOCSA-N 362.227 2.668 0 50 FFAA C[C@@H](NC(=O)c1ccc(OCC(F)F)nc1)c1ccc(-n2cncn2)cc1 134773137 KQPMYKGKZYUKRQ-GFCCVEGCSA-N 373.363 2.797 0 50 FFAA O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN2CCOC[C@@H]2C1 368820925 HGJKARSFHGORMR-INIZCTEOSA-N 372.400 2.561 0 50 FFAA Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)nn1-c1cccc(Cl)c1 375063217 DGCMUDHLWYWHJL-JKSUJKDBSA-N 355.829 3.310 0 50 FFAA O=C(Nc1cccnc1)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 378548110 UEGCMXFFOFUHFN-HNNXBMFYSA-N 352.373 2.616 0 50 FFAA Nc1nc(NC(=O)c2ccccc2)c(N=O)c(NC(=O)c2ccccc2)n1 4085868 BKDSPRLCFFDAFK-UHFFFAOYSA-N 362.349 2.961 0 50 FFAA CN(Cc1nccn1C(F)F)S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 913892412 PZNKKXUZLHMPIT-STQMWFEESA-N 359.373 2.735 0 50 FFAA O=C(NC[C@H]1NCCc2sccc21)c1ccc2nc(O)n(C3CC3)c2c1 2325810385 IFQQETQTTAENSG-OAHLLOKOSA-N 368.462 2.755 0 50 FFAA CC(=O)NC1(CCNC(=O)c2cc([C@@H](C)c3ccccc3)[nH]n2)CCC1 2325850381 WNTJPYFOXGXDDW-AWEZNQCLSA-N 354.454 2.740 0 50 FFAA C[C@H](c1ccccc1)[C@H](CO)NC(=O)Nc1cc(Cl)cc(C(N)=O)c1 2325860273 BDMHRVLOUIDJAG-BZNIZROVSA-N 361.829 2.725 0 50 FFAA C[C@@H](NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cc(O)n[nH]1 2325865280 VNYQNYXCWJEEHJ-LLVKDONJSA-N 350.378 2.603 0 50 FFAA NCc1ccc(-c2cccc(C(=O)N3CC[C@@H](c4cc(O)n[nH]4)C3)c2)cc1 2325879194 LTPFHLRYDDHAOP-GOSISDBHSA-N 362.433 2.871 0 50 FFAA Nc1cc(C(=O)N2CCC[C@H]2c2ccc(C(=O)NC3CCC3)s2)ccn1 23153562 MABCAEOVZRCKLQ-AWEZNQCLSA-N 370.478 2.985 0 50 FFAA COc1cccc(C2=NN(C(=O)c3ccccn3)[C@](O)(C(F)(F)F)C2)c1 1214365 KRNLNANHHTXJDF-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA Cc1nnc(SCCCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)s1 55280926 QYZHGDQCKNYRPN-VIFPVBQESA-N 351.501 2.607 0 50 FFAA CC(C)Cn1cncc1CN1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 106987235 VZTOHLYYEJUWLN-FQEVSTJZSA-N 374.504 2.747 0 50 FFAA c1nc(N2CCC(n3cc(CC4CCCCC4)nn3)CC2)c2nc[nH]c2n1 55225094 SIVICLJSIHEHTO-UHFFFAOYSA-N 366.473 2.909 0 50 FFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCCCC[C@H]1c1ccco1 135149586 UKPRILJXKZNYKU-XHSDSOJGSA-N 358.438 2.899 0 50 FFAA CN(C(=O)c1ccc(I)cc1)[C@H]1CCCC[C@@H]1O 10543147 NXEWJYOJPNYPON-STQMWFEESA-N 359.207 2.667 0 50 FFAA Cn1ccnc1C(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 20537201 FZMSGFLPQDJNDN-HXUWFJFHSA-N 374.435 2.827 0 50 FFAA COc1cccc2cc(C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)oc12 136488950 FLTREPHOUZNPKZ-OAHLLOKOSA-N 356.422 2.962 0 50 FFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2NCC(=O)O)c1 65373003 YMTKBUMSKIDVOT-GFCCVEGCSA-N 358.394 2.691 0 50 FFAA O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(C[C@@H]2CC=CCC2)CC1 20326289 JBDRHCRGXHGCRT-MRXNPFEDSA-N 366.469 2.669 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCc3nccn3C(C)C)nc2)C1 67773652 VXEOKRCLERSDCT-MRXNPFEDSA-N 371.485 2.970 0 50 FFAA Cc1ccc(C2(CN(C)Cc3n[nH]c4c3CCCC4)CCNCC2)nc1 67559354 VRTGMFVBQSGYPA-UHFFFAOYSA-N 353.514 2.745 0 50 FFAA COCc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 252508720 XRMPSISDAISQJM-GOSISDBHSA-N 355.438 2.654 0 50 FFAA COCc1noc([C@@H](C)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)n1 328648067 UJFDTVYJUNCEIN-RDBSUJKOSA-N 368.478 2.883 0 50 FFAA O=C(NCC1(O)CCCCC1)c1coc(CN2CCc3ccccc3C2)n1 67757640 JFMSUDDBTXPLTL-UHFFFAOYSA-N 369.465 2.658 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 329859330 ORWSFDXPKRPUAF-RRUGBERISA-N 350.484 2.813 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C(N)=O)c1C 997600 RTECDLFPSVJHAT-UHFFFAOYSA-N 367.814 2.633 0 50 FFAA Cc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1 219634272 ZSGQKKJYFNDOCE-WOJBJXKFSA-N 355.434 2.864 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccno2)CCC(=O)N1Cc1ccc(F)cc1 71764123 XBFLHHJOGVFQFB-MRXNPFEDSA-N 359.401 2.713 0 50 FFAA CC1(C)OC(=O)c2c1ccnc2N[C@@H](CO)Cc1c[nH]c2ccccc12 364140204 ANPMATCRRUCYHQ-CYBMUJFWSA-N 351.406 2.984 0 50 FFAA Cc1cccc(OCC(=O)N2CCC[C@@H](N(C)CCCN(C)C)C2)c1C 72143799 KTTQQHPEMCJWLU-LJQANCHMSA-N 361.530 2.557 0 50 FFAA CCN(CC)c1nc2sc(C(=O)N3C[C@@H](O)C4(CC4)C3)cc2s1 364449014 QCTUKWXHOOQDKD-GFCCVEGCSA-N 351.497 2.801 0 50 FFAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1CCc2nccn2C1 364604445 URJPIHCMKLORPC-NSHDSACASA-N 357.364 2.763 0 50 FFAA CCc1cc(N2CCC(NC(=O)Nc3nc(C)ccc3OC)CC2)ncn1 127048554 IHWZKIGWRXUGJZ-UHFFFAOYSA-N 370.457 2.542 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CCN(C)[C@H](C)C4)nc3)n2)cc1 39387669 KUGUUUCTULWXIU-CQSZACIVSA-N 365.437 2.948 0 50 FFAA COCc1nc(NCC2(c3ccccc3)CCOCC2)c2cnn(C)c2n1 72164969 GEKFCYICAKADQM-UHFFFAOYSA-N 367.453 2.670 0 50 FFAA CCc1cc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)n2nccc2n1 72409018 WWDAIHJJFYFAKH-INIZCTEOSA-N 355.442 2.679 0 50 FFAA Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(C(C)(C)C)s3)C2=O)n1 157513394 ZWFSVZCAVHPURN-GFCCVEGCSA-N 360.483 2.705 0 50 FFAA CCc1nc(N)sc1C(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 77487590 HPOJTZXUHFRVHN-AWEZNQCLSA-N 357.479 2.952 0 50 FFAA CSCCCN1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72411948 FVPSBUJKJISEHX-MRXNPFEDSA-N 351.564 2.734 0 50 FFAA C[C@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1C(=O)O 262860367 FIAZJCLNCJQRTL-CMPLNLGQSA-N 374.418 2.722 0 50 FFAA O=C(NCc1cccnc1)C1CCN(C2CCN(CC3CCC3)CC2)CC1 71762867 NXYVQONFDGOGPH-UHFFFAOYSA-N 370.541 2.674 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@H](CO)c3ccccc3)c12 72439341 XJUHEKOQYABWSL-MRXNPFEDSA-N 360.421 2.879 0 50 FFAA COc1ccccc1N1C[C@@H](C)N(C(=O)Cc2sc(C)nc2C)CC1=O 82083267 YALPOMHYBDKQHA-GFCCVEGCSA-N 373.478 2.575 0 50 FFAA CCSc1nc(CC(=O)N2CCC[C@@H](c3nccn3C)C2)cs1 82145712 WAFHMSULFYGWEU-GFCCVEGCSA-N 350.513 2.937 0 50 FFAA CS[C@@H](C)CCN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 82097982 AWTXTHHQZYQXQA-AWEZNQCLSA-N 350.532 2.647 0 50 FFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(Cc3ccccc3OC)C[C@H]21 95530777 UJJYZUGYUBSKFU-DYESRHJHSA-N 369.417 2.767 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 95498514 VTXABTKDGSDNNY-HNNXBMFYSA-N 353.353 2.724 0 50 FFAA COCCCN(C(=O)NCc1cccc2[nH]ccc12)C1CCN(C)CC1 426434770 AFUBGKCGFBGFCX-UHFFFAOYSA-N 358.486 2.810 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-c3ncc[nH]3)c2)[C@@H]1c1ccc(F)cc1 97815415 DRERCZURSGALFI-QGZVFWFLSA-N 364.380 2.529 0 50 FFAA CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1 180400583 YTIACQIWDPQTKG-LBPRGKRZSA-N 373.434 2.967 0 50 FFAA COc1cc(-c2ccc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)cc2)nc(N)n1 426518339 OZIUQIIQQOLWNI-WNKDZCFJSA-N 364.449 2.853 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccc(CN3CCCC3)o1)C2 97527342 AGVZSIOSZJOXBS-OAHLLOKOSA-N 370.449 2.865 0 50 FFAA Cc1ccc([C@H](C(=O)O)N2CCCN(Cc3ccncc3)CC2)c(F)c1 95377789 OHNBHGTZQMEJHK-LJQANCHMSA-N 357.429 2.863 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)o1 91586469 VROGYSTZILPYNY-QGZVFWFLSA-N 365.437 2.951 0 50 FFAA C[C@H]1Cc2cc(C(=O)N3CCC(CCN4CCCC4=O)CC3)ccc2O1 91781411 GJXWLGREJSEBBF-HNNXBMFYSA-N 356.466 2.875 0 50 FFAA CCN1CC2(CCN(C(=O)CCOC)CC2)C[C@H](c2ccccc2)C1=O 91871417 CKANNEZGJKOQEC-GOSISDBHSA-N 358.482 2.668 0 50 FFAA COc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95386350 RNMAROJBUMRBSB-INIZCTEOSA-N 371.485 2.865 0 50 FFAA Cc1noc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 95511892 QPYTVPLWLKEGMM-UHFFFAOYSA-N 370.453 2.657 0 50 FFAA Cn1cc(C(=O)NCC2CCN(c3nc(C(F)(F)F)cs3)CC2)cn1 268459737 KOXCWCPRNNVEFU-UHFFFAOYSA-N 373.404 2.542 0 50 FFAA Cc1nc2ccccn2c1CN(C)C(=O)c1cnc(-c2ccncc2)nc1 95389416 KIGVBSAHXXLPQU-UHFFFAOYSA-N 358.405 2.767 0 50 FFAA c1ccc2oc(N3CCC(NCc4noc([C@H]5CCCO5)n4)CC3)nc2c1 95383948 KQEPTTAZRHGDAG-MRXNPFEDSA-N 369.425 2.821 0 50 FFAA CC[C@H](C)[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)c(Cl)c1 230216056 YWXMVTHNXMXTOM-HZMBPMFUSA-N 351.834 2.876 0 50 FFAA O=C(CN1CC2(CCCCC2)CC1=O)N1CCCN(c2ccccc2)CC1 95508820 KMKJWRIOEGWEBS-UHFFFAOYSA-N 369.509 2.908 0 50 FFAA COC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccc(Cl)cc3)C2=O)cc1 95496457 CHJOFOYPJGYFMN-INIZCTEOSA-N 372.808 2.548 0 50 FFAA O=C1CSc2ccc(C(=O)N3C[C@H](C(=O)O)c4ccccc43)cc2N1 299741578 GNXKCBOKVMTBBT-LBPRGKRZSA-N 354.387 2.559 0 50 FFAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)NC[C@H](C)CN(C)C)c2)n1 534658233 KZOSWSIBZUAGIH-HNNXBMFYSA-N 357.502 2.828 0 50 FFAA Cn1cc(CCCNC(=O)N2CCC(Oc3ccccc3F)CC2)cn1 534633037 BXWHIAUUGZFEIZ-UHFFFAOYSA-N 360.433 2.745 0 50 FFAA COC[C@@H](NC(=O)N(C)CCn1c(C)cc2ccccc21)c1ccnn1C 534664029 DPLQEUYUDBTSKH-QGZVFWFLSA-N 369.469 2.712 0 50 FFAA CSCC[C@@H](O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 270758237 LKCBGHKAQBMMQC-MRXNPFEDSA-N 356.919 2.535 0 50 FFAA COc1ccccc1CN(CCCO)c1cc([C@H]2CCOC2)nc(C)n1 299756590 HPLABCVWSFFIKR-KRWDZBQOSA-N 357.454 2.687 0 50 FFAA C[C@H](NC(=O)CCCN1CCCCC1=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670443379 QTOWBDOCXKYKAZ-PWVCALLWSA-N 362.514 2.615 0 50 FFAA CC(C)(C)c1cc([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)n[nH]1 67787617 XJNRAKJSNMRZHT-ZDUSSCGKSA-N 350.426 2.821 0 50 FFAA CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc(F)cc1Cl 1463056471 PNRDALRYBPFTER-ZIAGYGMSSA-N 372.824 2.843 0 50 FFAA CO[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)C1 1875254236 YIUXGSHEGJDSEL-TXEJJXNPSA-N 350.216 2.746 0 50 FFAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@H]2C(=O)N1CCC(c2ccncc2)CC1 1875395733 KJPVBESMOSTGRM-HFSMHLIXSA-N 350.466 2.889 0 50 FFAA O=C(CCCc1ccncc1)N[C@H]1CCCN(c2ccc(F)cc2)C1=O 1875310064 BNHWQPZTJNFALJ-SFHVURJKSA-N 355.413 2.855 0 50 FFAA Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3cc4ccccc4s3)C2)no1 1875315251 MSUIIJVBSGFIPT-CQSZACIVSA-N 369.446 2.771 0 50 FFAA Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cncc(F)c1=O)c1ccccc1 1875309546 BVEWWOBBMJVIIO-PXNSSMCTSA-N 368.408 2.858 0 50 FFAA CC1(C)C[C@H](N=c2[nH]ccnc2F)CN(C(=O)[C@@H]2CCC[C@H](F)C2)C1 1875405103 QQBMQMXZIDSXOZ-RDBSUJKOSA-N 352.429 2.605 0 50 FFAA O=C(Cc1cc[nH]c1)N1CC[C@]2(CCCCN(C(=O)[C@H]3CC34CC4)C2)C1 1875404934 CUNQQKPZAHQKCB-YLJYHZDGSA-N 355.482 2.589 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1CCN(c2ncnc(C)c2C)CC1 952861257 ZLCLZGRXYUSYME-UHFFFAOYSA-N 362.481 2.910 0 50 FFAA Cc1noc(COC2CN([C@@H](C)c3ccc(-n4ccnc4C)cc3)C2)n1 886097051 KHJLMHQYYPOASY-ZDUSSCGKSA-N 353.426 2.834 0 50 FFAA O=C(CNC(=O)C1(c2ccc(Br)cc2)CCOCC1)C1CC1 272956472 PBBGASFLXPEOFE-UHFFFAOYSA-N 366.255 2.593 0 50 FFAA Cn1cc(C(=O)NCc2coc(-c3ccccc3)n2)c([C@@H]2CCOC2)n1 275416972 BWANXDLMELRQFM-CQSZACIVSA-N 352.394 2.509 0 50 FFAA Cc1cc(I)cnc1NCc1cn(C(C)(C)C)nn1 276495613 ASYXYRWRDJARSJ-UHFFFAOYSA-N 371.226 2.953 0 50 FFAA Cc1nc(NCc2cn(C(C)(C)C)nn2)ccc1I 276519615 FHPZBSVOXBRKPZ-UHFFFAOYSA-N 371.226 2.953 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(F)c(C(F)(F)F)c3)C(=O)[C@@H]2C1 277903819 BTECPCSFOMTNTD-UFBFGSQYSA-N 374.290 2.565 0 50 FFAA CNC(=O)[C@H](NC(=O)CN[C@@H](C)c1cc(C)c(F)c(C)c1)c1ccccc1 170591744 IJOFIGOLZXVFAO-MGPUTAFESA-N 371.456 2.697 0 50 FFAA O=C1N[C@@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CS1 170647459 NUALFZNGCOKJOY-CYBMUJFWSA-N 352.843 2.586 0 50 FFAA Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cn1 171462955 KPFGEHIUIJGUOB-PMACEKPBSA-N 367.497 2.931 0 50 FFAA C[C@H]1CCCN(C(C)(C)CNC(=O)Nc2nc3c(s2)COCC3)C1 172256185 PKHHTMNYEIDBSP-LBPRGKRZSA-N 352.504 2.848 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c1C 413929101 DCANSVLDAUNYCN-HZPDHXFCSA-N 356.422 2.756 0 50 FFAA CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc3c(C)cccn13)CC2 191560375 WGYVJTIJONEKBY-UHFFFAOYSA-N 370.478 2.504 0 50 FFAA CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2coc(C3CCC3)n2)cc1 192790909 VRHYDUPFRJSDBY-OAHLLOKOSA-N 371.437 2.624 0 50 FFAA CC(C)Oc1ccccc1CC(=O)N1CCC(c2nc(N(C)C)no2)CC1 193958081 RHXOGNJPJANQLX-UHFFFAOYSA-N 372.469 2.872 0 50 FFAA O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@H](C(F)(F)F)C1 194134411 WZCCSOZXRLZDKR-HOCLYGCPSA-N 374.378 3.000 0 50 FFAA CCOCc1cc(CN2CCC(S(=O)(=O)CC)CC2)ccc1OC 195156776 ZMAIVAWCMNTWEY-UHFFFAOYSA-N 355.500 2.631 0 50 FFAA O=S(=O)(NCc1ccoc1)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1506422020 ZKJVXWZTWRRFMA-UHFFFAOYSA-N 361.301 2.760 0 50 FFAA COC(=O)c1cn(-c2ccc(Br)cc2Cl)nc1C(=O)OC 630080 CEZMMQVFEHKCCW-UHFFFAOYSA-N 373.590 2.861 0 50 FFAA CCc1cc(N2CCCN(c3ccccc3)CC2)nc(N2CCOCC2)n1 1529152333 JLNLYJDHVVYHBL-UHFFFAOYSA-N 367.497 2.592 0 50 FFAA O=C1O[C@H]2CN(Cc3ccncc3)C[C@H]2N1CCCc1ccc(F)cc1 207714027 VAWVNNKRAFGVFT-MOPGFXCFSA-N 355.413 2.859 0 50 FFAA CC(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 1141863 NZDHMYQDVAFQPJ-UHFFFAOYSA-N 350.415 2.866 0 50 FFAA CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 1146734 JBEBERYKJMCOAN-UHFFFAOYSA-N 352.843 2.819 0 50 FFAA O=C(NCc1ccccn1)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 11938047 VHZLPZYFUFKNAT-UHFFFAOYSA-N 361.327 2.670 0 50 FFAA CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2ccccc2SC)C1 12437741 FFQRVLPYRBOYMT-CYBMUJFWSA-N 364.467 2.576 0 50 FFAA Cc1nn(C)cc1CN(C)C(=O)c1cn(Cc2cccc3ccccc23)nn1 12574630 OGVWADNBBGGFPD-UHFFFAOYSA-N 374.448 2.794 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 12716101 ABTPUMVUJGUGBB-HNNXBMFYSA-N 361.417 2.949 0 50 FFAA Cn1ncc2c1CCN[C@@H]2C(=O)NCCCc1c(Cl)cccc1Cl 1857529957 WEYHMDCIULIKHS-INIZCTEOSA-N 367.280 2.663 0 50 FFAA COC(=O)C1CCC(NC(=O)c2cn(-c3cccc(Cl)c3)cn2)CC1 1857530993 PVRFQJIDIAKCRA-UHFFFAOYSA-N 361.829 2.987 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)N[C@H]1CCCCCC[C@@H]1O 1857678039 AHKYYRSRVBFDSO-HOCLYGCPSA-N 350.484 2.937 0 50 FFAA Nc1c(N2CCC(Cc3ccc(F)c(F)c3)CC2)ncnc1-n1cccn1 302226588 SUFRNIXCEKJIDA-UHFFFAOYSA-N 370.407 2.982 0 50 FFAA O=C(NCc1ccnc(OCC2CC2)c1)N[C@@H]1COc2ccccc2C1 109149766 FPNPCFRHTVABGU-KRWDZBQOSA-N 353.422 2.673 0 50 FFAA C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCN1CCO 331835883 OSCINIUWPUJFLV-NSHDSACASA-N 353.875 2.535 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 133459543 SSXVTUFEMVKEHW-IRXDYDNUSA-N 369.469 2.554 0 50 FFAA O=C(O)[C@@H]1CCCN1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 262607726 BBSNPOILQGCBTO-LPHOPBHVSA-N 370.474 2.771 0 50 FFAA C[C@](O)(C(=O)NCc1ccc(CO)cc1)c1cccc(C(F)(F)F)c1 843963602 HZNQQSMAHZEZLP-QGZVFWFLSA-N 353.340 2.722 0 50 FFAA COc1ccccc1CNC(=N)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 849104383 OUMCIDYWNPVCBS-PXNSSMCTSA-N 357.429 2.614 0 50 FFAA CN(C[C@]1(C)CCCO1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12 2325790049 JBCMSQMIXOQVID-KSSFIOAISA-N 360.483 2.688 0 50 FFAA C[C@@H](Cc1ccccc1Cl)C(=O)N1C[C@H](O)CC12CCN(C)CC2 2325810902 MTCXNSPDQJGJMF-GOEBONIOSA-N 350.890 2.576 0 50 FFAA COc1cccc([C@@H](O)CNC(=O)Cc2csc(-c3ccccc3)n2)n1 2356144376 VCIVHPZHMPBQRF-INIZCTEOSA-N 369.446 2.606 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 53243880 SQXVUTMIYSQSDN-OAHLLOKOSA-N 373.472 2.702 0 50 FFAA COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1 23581375 SFPOWADODLYVLG-WMZOPIPTSA-N 368.408 2.702 0 50 FFAA CCc1nnc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)s1 65381742 FUHXZKNTKFVZFR-UHFFFAOYSA-N 355.467 2.892 0 50 FFAA O=C(c1ccc(Cl)cc1O)N1CCN(Cc2ccccc2)[C@H](CCO)C1 72427998 RVBGNJGVSUAYPF-QGZVFWFLSA-N 374.868 2.755 0 50 FFAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 252482320 DCWBPKHQXKMVAB-JKDFXYPNSA-N 363.845 2.948 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)nc1)N1CCCN(C2CCCCC2)CC1 67834304 AHYWVMLPKWGYRT-UHFFFAOYSA-N 353.470 2.952 0 50 FFAA Cn1c(=O)oc2c(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)cccc21 121491102 WMCTUMQLMRMLOY-INIZCTEOSA-N 365.433 2.526 0 50 FFAA C[C@H]1CCc2onc(C(=O)N(C)Cc3c(Br)cnn3C)c2C1 2805507 OWXQASNPCMFTCQ-VIFPVBQESA-N 367.247 2.568 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cc1OC 363170321 GCRUAKWTVBRSAQ-OAHLLOKOSA-N 359.430 2.781 0 50 FFAA Cn1c(C(=O)N2CCC[C@H](c3cc(=O)nc[nH]3)C2)ccc1-c1ccccc1 215757744 HLRBSSLXQJSTAC-INIZCTEOSA-N 362.433 2.795 0 50 FFAA COCCCNC(=O)c1cc(C(=O)c2ccccc2Br)c[nH]1 5660719 BMMDZABFVUXNPM-UHFFFAOYSA-N 365.227 2.775 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2c2nc(C(C)(C)NS(C)(=O)=O)no2)o1 365770023 RGSSEQIUKVGIAQ-KXNHARMFSA-N 365.455 2.841 0 50 FFAA C[C@H](C(=O)N1CCN[C@H](c2cccc(F)c2)C1)n1cnc2ccccc21 328658619 RJTACLZPXBAVTN-KDOFPFPSSA-N 352.413 2.910 0 50 FFAA CCn1ccnc1[C@H](Nc1ncnc2c1ncn2CC)C1CCOCC1 284498411 GZZPUQZWBJITGL-CQSZACIVSA-N 355.446 2.642 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 77376837 XARXFELCCHYPHK-HNNXBMFYSA-N 350.382 2.709 0 50 FFAA Cc1ccc(CNC(=O)C2CCN(C(C)C)CC2)c(O[C@@H]2CCOC2)c1 156815819 PEOFVVATDXNVOP-LJQANCHMSA-N 360.498 2.899 0 50 FFAA Cc1ccc(C)c(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)c1 72424408 ZDHJONGQDJIIGN-LJQANCHMSA-N 370.493 2.981 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(F)cc2cccnc12 158180446 UAIKKRXDJQITER-UHFFFAOYSA-N 352.369 2.858 0 50 FFAA Cc1ccccc1[C@H](CC(=O)Nc1cccc(CCC(=O)O)c1)NC(N)=O 262559700 VYRTZBYFDZNKQK-KRWDZBQOSA-N 369.421 2.750 0 50 FFAA CS(=O)(=O)CCn1ccnc1-c1nc(-c2ccc(F)cc2)cs1 72478595 QHQCTEVNFZBNDX-UHFFFAOYSA-N 351.428 2.857 0 50 FFAA CN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21 72164141 LCGXUYLBDBOIHK-JOCHJYFZSA-N 366.461 2.568 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3cccc(Cl)c3)ccc12 71385155 ILITZZQCMITUMJ-UHFFFAOYSA-N 368.780 2.782 0 50 FFAA CCCCC[C@H](O)CC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 43772108 WLQWTLGHSFPOQC-DZRGKWQISA-N 372.502 2.670 0 50 FFAA in-vitro O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1COc2ccccc2C1 133637570 CODGICBGBWQONM-AWEZNQCLSA-N 357.479 2.867 0 50 FFAA COc1cc(NC2CCN(c3cccc(C(=O)O)n3)CC2)cc(OC)c1 263430375 SNMGXJQPUGRIPS-UHFFFAOYSA-N 357.410 2.878 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)NCc1cc2ccccc2[nH]1 426494536 QRBRYUDQCLRZFK-UHFFFAOYSA-N 369.469 2.876 0 50 FFAA O=C(Nc1ccccc1C(F)(F)F)N1CCN(C[C@H]2CCOC2)CC1 178620996 YYHAGJMHFVOTTG-CYBMUJFWSA-N 357.376 2.891 0 50 FFAA OCCn1ccc([C@@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 426562843 GSKZLBXRLUGPBX-QGZVFWFLSA-N 352.438 2.910 0 50 FFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)c1onc2c1CCCC2 426379583 BNBZSSRZUHZMAL-UHFFFAOYSA-N 360.320 2.812 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCn3c(C)nc4ccccc43)[C@H]2C1 426465095 GFZWGSODIKUUIB-NBHGPNQESA-N 371.481 2.920 0 50 FFAA Cn1c([C@@H]2CCCN2C(=O)NCCCn2cccn2)nc2ccccc21 426361371 STNBDKNAOGHKDY-KRWDZBQOSA-N 352.442 2.707 0 50 FFAA Cc1nc2ccccn2c1CC(=O)N(C)Cc1nnc(-c2ccccc2)o1 426517533 FDHYGCSZQGRKJU-UHFFFAOYSA-N 361.405 2.894 0 50 FFAA Cc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)ncn1 95391632 AMGOXLMJGQEKQL-ZLGUVYLKSA-N 364.449 2.580 0 50 FFAA O=C(CCS(=O)(=O)c1ccccc1)NC[C@H]1CCOc2ccccc2C1 95385032 JPPDBKRFCZVBIR-INIZCTEOSA-N 373.474 2.608 0 50 FFAA C[C@@]1(NC(=O)c2ccc(-c3cccc(F)c3O)cc2)CCS(=O)(=O)C1 426716296 ZTBHIOJCWSZHJI-GOSISDBHSA-N 363.410 2.505 0 50 FFAA O=C(NCC[C@H]1CCN(Cc2ccccc2)C1)c1cnc(C2CC2)nc1 97528988 VPQNTVPXJSINHS-KRWDZBQOSA-N 350.466 2.996 0 50 FFAA COc1ccc(-c2ccccc2)cc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239174004 PCBJUYJXNXXCMY-NCXUSEDFSA-N 365.385 2.955 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCCn3nnc4ccccc43)[nH]n2)o1 91746280 KKEWOAQVVHYQGI-UHFFFAOYSA-N 350.382 2.543 0 50 FFAA Cc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CC(=O)N(C3CC3)C2)s1 92002536 KDQRSULHUDMLBW-OAHLLOKOSA-N 369.490 2.991 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cnc(-c2cccnc2)nc1 95356418 PLTSFTJMVNNLGL-INIZCTEOSA-N 350.426 2.580 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95354534 BBTCUBQKYDMHPQ-QGZVFWFLSA-N 368.481 2.667 0 50 FFAA Cc1cccc([C@H](C(=O)NCc2csc(-c3ncccn3)n2)N(C)C)c1 91986265 PMPOKIOOMKPDMU-MRXNPFEDSA-N 367.478 2.828 0 50 FFAA CCOc1ccc(-c2ccnc(N[C@H]3CC[C@@H](N)CC3)n2)cc1C(=O)O 244748754 ONULVLSRJSWKOB-OKILXGFUSA-N 356.426 2.922 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1ncc(Cl)cc1Cl 183143214 CDSJFBGCDHCOMN-UHFFFAOYSA-N 350.227 2.814 0 50 FFAA CN1C(=O)C[C@H](C(=O)N[C@H](CC(=O)O)c2cccs2)c2ccccc21 299746324 WQUOUMIJEYJKJL-QWHCGFSZSA-N 358.419 2.530 0 50 FFAA COc1ccc2[nH]cc(CCNC(=O)c3nnc(O)c4ccccc34)c2c1 603329270 XGTCJQGXJSMLMY-UHFFFAOYSA-N 362.389 2.798 0 50 FFAA CC(C)C[C@@H](NC(=O)N(C)Cc1cnc2ccccc2n1)c1ncnn1C 534583419 NPKGHRLVTNVPEW-QGZVFWFLSA-N 367.457 2.687 0 50 FFAA COc1ccc(-n2cc([C@H](C)NC(=O)NC3(CO)CCCC3)cn2)cc1 534669346 JCRJTVDKMPWXJA-AWEZNQCLSA-N 358.442 2.546 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)[C@H]2C1 299759913 OXDXOBOJLTZTPI-XKGZKEIXSA-N 355.438 2.875 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)Nc3ccc4c(c3)COC4=O)CC2)nc1 299765403 GEYNCCBUCCHLDH-UHFFFAOYSA-N 367.405 2.576 0 50 FFAA Cc1ccccc1-c1noc([C@H](C)NC(=O)C2(Cn3ccnc3)CC2)n1 299761612 WWCMZZAQRIEAIE-AWEZNQCLSA-N 351.410 2.899 0 50 FFAA Cc1nnc(CCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)s1 290396431 LWDAWQUBPNPYFG-UHFFFAOYSA-N 373.482 2.755 0 50 FFAA O=C(CCc1cnccn1)NC[C@@H](c1ccc(F)cc1)N1CCCCC1 299790454 QLMUJEVRQSLJEB-IBGZPJMESA-N 356.445 2.892 0 50 FFAA C[C@H](NC(=O)Cn1cnc2ccsc2c1=O)c1nc2c(s1)CCCC2 299794971 NSVXYTROYLNSIU-JTQLQIEISA-N 374.491 2.671 0 50 FFAA Cn1ccnc1-c1ccccc1C(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 828248128 OLDNWQMXFANMRA-HNNXBMFYSA-N 366.465 2.608 0 50 FFAA CN1CC[C@@](C)(CN(C)C(=O)c2coc(COc3cccc(F)c3)n2)C1 67872870 PATFUHKTIJUTPS-LJQANCHMSA-N 361.417 2.807 0 50 FFAA COC(=O)c1cc(OC[C@@H]2C[N@]2Cc2cnn(C)c2)c2ccccc2c1 1875385249 PHMLNELPXRBRRK-SBUREZEXSA-N 351.406 2.623 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@H](C2CC2)[C@@H]1c1nnc(O)n1C(C)C 1875401726 QBSHNNURUKWKMP-UKRRQHHQSA-N 370.457 2.615 0 50 FFAA CCn1cc(C(=O)N2C[C@H](NC(=O)C3(C)CC3)CC[C@H]2C)c(C2CC2)n1 1875406730 KXPCYLXYDBZZTR-UKRRQHHQSA-N 358.486 2.690 0 50 FFAA CCCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(-n3c(C)cnc3O)cc2)C1 1875267264 PGLPBYQCJIMYRO-RDJZCZTQSA-N 371.485 2.731 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2nncn2C)c1C 952987902 MAQWKZAOZHMAOK-UHFFFAOYSA-N 352.442 2.712 0 50 FFAA O=C(NCc1cccnc1-n1cncn1)c1ccc([C@@H]2CCCO2)s1 952974272 VNEXASHYBMDJDV-ZDUSSCGKSA-N 355.423 2.505 0 50 FFAA Cc1cc(O)nc2cc(NC(=O)[C@@H](Cc3ccccc3)n3cnnn3)ccc12 888090366 VCRXKRPMXPODIV-GOSISDBHSA-N 374.404 2.658 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)c2cc(C(C)C)n3ncnc3n2)cc1 952973211 WRVUZLRJTFBMNE-UHFFFAOYSA-N 366.425 2.638 0 50 FFAA COc1ccc(C(=O)N2CCN(CC(C)C)[C@H](CCO)C2)cc1Cl 952985736 DGWCAOBPQMUAPV-OAHLLOKOSA-N 354.878 2.513 0 50 FFAA O=C(CCSCc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1 1565526491 ZRLOXECIAKLARJ-RNQOJCNYSA-N 360.523 2.678 0 50 FFAA CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cccc4ccccc34)c2C1 277021721 WWXZWAOYUUUGTO-HNNXBMFYSA-N 362.433 2.987 0 50 FFAA CC1=C(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)OCCO1 1506407720 LDWFKYKNNDITGO-RBUKOAKNSA-N 353.418 2.795 0 50 FFAA Cc1ncsc1CCNS(=O)(=O)c1ccc(-c2onc(C)c2C)o1 1506430157 XAUMNDTUVRVEAZ-UHFFFAOYSA-N 367.452 2.837 0 50 FFAA CC(C)n1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1 1529190929 PMIDFRSPLAFQNW-UZLBHIALSA-N 364.449 3.000 0 50 FFAA O=C(CCC(F)(F)F)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615736606 MKEKJOUOHHAZMW-BBRMVZONSA-N 352.356 2.939 0 50 FFAA CC(=O)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl 1232165 XUJWZSDVLHECBV-VIFPVBQESA-N 356.662 2.511 0 50 FFAA O=C(Cc1cccnc1)N1CCCN(c2nc3ccccc3s2)CC1 1775983534 ZJTQKSFJGNFZBV-UHFFFAOYSA-N 352.463 2.973 0 50 FFAA O=C(Cc1ccncc1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 12307920 ISKQUWZYTSARDM-UHFFFAOYSA-N 363.373 2.593 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 16579352 RSZKXVWLYFAYQE-UHFFFAOYSA-N 360.479 2.656 0 50 FFAA CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 2939791 QMMLUCZBQVGKEF-UHFFFAOYSA-N 352.500 2.689 0 50 FFAA C[C@@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)[C@@H]1CCCO1 6698495 DGWGGUFFIOUBAC-RNCFNFMXSA-N 366.211 2.853 0 50 FFAA CCc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1 2508903 USIQYRLRJFLQRE-ATVHPVEESA-N 363.442 2.937 0 50 FFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccccn3)CCCCC2)o1 1857526822 ZWHNTUPSVJZLBO-UHFFFAOYSA-N 370.449 3.000 0 50 FFAA CCC[C@]1(CO)CCN(Cc2cc(OC)c(SC)cc2OC)C[C@H]1O 1875248732 KDBQMZKEJVAKTN-RTBURBONSA-N 369.527 2.771 0 50 FFAA O=C(c1ccc2c[nH]nc2n1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1875250687 XBSRTUBUYQIKAO-UHFFFAOYSA-N 358.405 2.589 0 50 FFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 331910995 LTEUTKRRLATFHN-ROUUACIJSA-N 355.486 2.751 0 50 FFAA CC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1nc(-c3ccccc3Cl)no1)C2 247902154 BGEDXJQLZKJPDP-KGLIPLIRSA-N 360.845 2.833 0 50 FFAA O=C1NCCN(Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1ccccc1 156161731 KXKNJRIXUPKKLE-QGZVFWFLSA-N 358.825 2.784 0 50 FFAA Cn1ncc(Cl)c1S(=O)(=O)N1CCSC[C@H]1c1ccccc1 373781618 IMNFEDRAUZFOBF-ZDUSSCGKSA-N 357.888 2.552 0 50 FFAA CO[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccc(Cl)cc1 266852967 XIYGTUQHEYRXNY-IKGGRYGDSA-N 351.878 2.906 0 50 FFAA CCCC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2COC[C@@H]21 839897481 MRSBLBXEFIUIHP-CABCVRRESA-N 352.475 2.661 0 50 FFAA CCOc1ccc(Br)cc1S(=O)(=O)n1ccnc1CC 4744769 VFSRBXIYYYJCOY-UHFFFAOYSA-N 359.245 2.844 0 50 FFAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)NC1(Cc2ccc(F)cc2)CCCC1 2325828236 BRHMNOAVRQDXPT-INIZCTEOSA-N 359.445 2.744 0 50 FFAA CC[C@H](C)n1nc(-c2nccn3nccc23)nc1-c1cnc(OC)c(C)n1 2325863079 UPRCFLGFAUEEIX-NSHDSACASA-N 364.413 2.733 0 50 FFAA Cc1cc(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(F)cc3)C2)ccc1O 2325872071 GUXGPCRELCHNBZ-KRWDZBQOSA-N 356.397 2.826 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@@]34CCCN(C(C)C)C4=O)c(F)n2c1 2356152963 JXGMCEZTMOQUDM-HXUWFJFHSA-N 372.444 2.787 0 50 FFAA CC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)cc1 2988855 RCIHQIOSSKZRKT-QGZVFWFLSA-N 359.809 2.813 0 50 FFAA Cc1nc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccncc2)no1 225844884 HHPVZCUJBBMLBA-HNNXBMFYSA-N 359.430 2.567 0 50 FFAA Cc1nnc(SCC(=O)N[C@H](C)CN2CCc3ccccc3C2)s1 55211219 SKVSLUHQSHZPHB-GFCCVEGCSA-N 362.524 2.502 0 50 FFAA CCc1nc(C)sc1CNC(=O)c1sc2ncn(C)c(=O)c2c1C 55342128 QDQABUZGAZOHTC-UHFFFAOYSA-N 362.480 2.561 0 50 FFAA CC[C@H](CO)N(Cc1ccco1)C(=O)CCc1nc(-c2ccco2)no1 55359735 BXTGJADPOSRFKK-CYBMUJFWSA-N 359.382 2.655 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 20205795 TZNNVBMOFGAZCN-IBGZPJMESA-N 367.537 2.609 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@@H]2CCCCN2C)no1 67955158 PKVKHFUSXHWQAE-SFHVURJKSA-N 370.497 2.863 0 50 FFAA COc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1OC 23358850 ZKUZKQZKDSJUIS-IBGZPJMESA-N 362.514 2.905 0 50 FFAA O=C(N[C@@H](c1ccccc1)c1ccncc1)C1CCN(C(=O)C2CC2)CC1 60644254 PJQPCNQHBWVFDO-FQEVSTJZSA-N 363.461 2.936 0 50 FFAA Cc1cc(C)c(C(=O)NC[C@@H](c2ccccc2F)N2CCCC2)c(=O)[nH]1 65531511 SHYZPIMCNKGBDU-KRWDZBQOSA-N 357.429 2.698 0 50 FFAA C[C@H](c1nc(Cc2ccccc2F)no1)N1C(=O)NC2(CCCC2)C1=O 350450475 BYDJHZYUEUXGTD-LLVKDONJSA-N 358.373 2.725 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)s1 67654629 NDWBYSKLGSFMOO-FQEVSTJZSA-N 358.507 2.742 0 50 FFAA O=C(c1cccc(F)c1)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67755927 LKBPVEZRTHEXEV-OAHLLOKOSA-N 366.396 2.720 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C[C@@H]2CCOC2)CCO3)n1 67739819 YIQMHKXPIXKLIU-HNNXBMFYSA-N 355.438 2.697 0 50 FFAA COc1ccnc(N(C)C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 425614279 ZIEURRVEKAIIOY-QFBILLFUSA-N 353.422 2.663 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)NC[C@@H](c1ccccc1)C(C)(C)CO 122953309 UKVLTKPUYGKXEI-SFHVURJKSA-N 358.486 2.638 0 50 FFAA Cc1ccc(CNC(=O)c2ccc(C(N)=O)s2)c(OC[C@@H]2CCOC2)c1 127211075 GROZHQJCOBWYAA-CYBMUJFWSA-N 374.462 2.501 0 50 FFAA Cn1ncc2c1ncn1nc(-c3cccc(COCC(F)(F)F)c3)nc21 2802546 FWOHISNQTVARBR-UHFFFAOYSA-N 362.315 2.757 0 50 FFAA O=C([C@H]1CCCN1C(=O)Cc1cccs1)N1CCOc2ccccc2C1 363389109 HQAHPTBBLDZMNR-QGZVFWFLSA-N 370.474 2.703 0 50 FFAA Cc1nc(N2CCC(O)(c3ccc(F)cc3)CC2)c2c(C)nn(C)c2n1 72462944 IXZBDXNAJSDQIQ-UHFFFAOYSA-N 355.417 2.607 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC[C@@H]1c1ncon1 331746990 XVYUBKHLCTWHLH-JOYOIKCWSA-N 372.208 2.744 0 50 FFAA Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CC[C@H](C2CC2)C1 378355370 KHNNPJPABMNDBI-KRWDZBQOSA-N 357.454 2.731 0 50 FFAA CC(C)n1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)cn1 215582303 XSBBUPBVJVAPMK-DOTOQJQBSA-N 359.499 2.544 0 50 FFAA CCc1cc(N2CCN(c3nc(C)cc(C)n3)CC2)n2nc(C)c(C)c2n1 72430374 NFNZHIQELNSNJF-UHFFFAOYSA-N 365.485 2.642 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)s1 14964155 CWQLZJAXPMOQOR-OAHLLOKOSA-N 350.484 2.548 0 50 FFAA CCCN1CCN(Cc2cccc3c(C)cccc23)[C@H]2CS(=O)(=O)C[C@H]21 72423751 NUXQIJNHZSPJEH-RTWAWAEBSA-N 372.534 2.841 0 50 FFAA CCc1nnc(CN(C)Cc2cc(CN3CCN(C)CC3)c(C)cc2C)o1 215396465 HAXGDOVPWYTIHY-UHFFFAOYSA-N 371.529 2.628 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 77341370 UCIJQPIBAHIDCT-AWEZNQCLSA-N 351.410 2.624 0 50 FFAA CCc1cccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)c1 72117742 NJFADJXCDTZCQB-UHFFFAOYSA-N 354.458 2.873 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)Cc2nc3c(s2)CCCC3)N1 215787179 JYGQCBHEDVMLMU-HNNXBMFYSA-N 356.495 2.698 0 50 FFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(CC(=O)O)c2)CC1=O 263144416 KETJNWHZLTUWRN-PBHICJAKSA-N 366.417 2.862 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccnc(OC)c2)CCC(=O)N1Cc1ccccc1 71730583 MEQHVPVCZFVCQZ-GOSISDBHSA-N 367.449 2.744 0 50 FFAA Cc1cc(C)c2nc(C)cc(C(=O)N3Cc4nc(C)n(C)c(=O)c4C3)c2c1 77337662 GIITXOSEBXZKRG-UHFFFAOYSA-N 362.433 2.718 0 50 FFAA CN(C)[C@H](CNS(=O)(=O)NCc1ccccc1)c1ccccc1Cl 71419410 VXXGTGLTRKSRAS-QGZVFWFLSA-N 367.902 2.567 0 50 FFAA CCCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77538752 CWCUIVHVHFXMEZ-UHFFFAOYSA-N 370.840 2.881 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77287009 IAUWWVUWZLZOCZ-HXUWFJFHSA-N 358.486 2.617 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)cc1 72147945 QPFJIHROSRWUDW-QFIPXVFZSA-N 364.445 2.911 0 50 FFAA CCOc1ccc(CCCC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1C 220224692 BJRPKSIMDVLDDT-FQEVSTJZSA-N 360.454 2.770 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)NCc3n[nH]c4c3CCC4)C2)c1OC 426701627 OQAWDODOGURHBE-ZDUSSCGKSA-N 370.453 2.615 0 50 FFAA Cc1cc(C)nc(-c2ccc(C(=O)NCC[C@@H](C)N3CCOCC3)cc2)n1 426402150 YIRKPKZSBFVQPE-QGZVFWFLSA-N 368.481 2.601 0 50 FFAA O=C(NC(=S)N1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 20522144 WTQOJXYXRHBSLJ-UHFFFAOYSA-N 371.481 2.701 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCN(CCOc3ccccc3)CC2)s1 82096396 VOGSBZDCQQSHDS-UHFFFAOYSA-N 359.495 2.526 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 426503459 HCGIXCRQIPUGGG-IBGZPJMESA-N 363.465 2.712 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@H](c3cccc(F)c3)N(C)C)CC2)n1 95372603 RFRLYQHXZCYAMV-SFHVURJKSA-N 360.433 2.601 0 50 FFAA Cc1ccc([C@@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)C(=O)O)cc1 95526303 GQRDBMQSTIIQLM-GOSISDBHSA-N 372.465 2.666 0 50 FFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2OC)C1 237193557 CWEXONKMEHQIFT-LJLILKBBSA-N 367.287 2.929 0 50 FFAA O=C(CCc1cc2n(n1)CCN(Cc1ccc3occc3c1)C2)NC1CC1 91411467 WDBQOPHKUDSSSP-UHFFFAOYSA-N 364.449 2.856 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)N3CCC(F)(F)CC3)CC2)c1 95389453 ORFJYMMFTZCJDR-UHFFFAOYSA-N 351.441 2.765 0 50 FFAA Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c1C 91644781 XUTCXEPNEXXCQR-UHFFFAOYSA-N 371.525 2.710 0 50 FFAA COc1cc(C)cc([C@@H](C(=O)O)N2CCC(Cn3ccnc3)CC2)c1OC 95528894 LJBKOMZEWXFSRT-SFHVURJKSA-N 373.453 2.747 0 50 FFAA CCc1nnc(CN(CC)C(=O)c2c[nH]nc2-c2cccc(OC)c2)o1 91997470 NMDLGSBYRPAWIO-UHFFFAOYSA-N 355.398 2.693 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1ccc3nsnc3c1)CO2 91694622 KCVUJYKODNAHGT-AWEZNQCLSA-N 369.446 2.910 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n3ncnc3n2)n1 91952001 WZKGMVRDMBMTRN-ZDUSSCGKSA-N 369.429 2.731 0 50 FFAA CN1C[C@]2(CCCN(C(=O)Nc3snnc3-c3ccccc3)C2)OC1=O 95509509 AOJOSFBAYNRVIG-KRWDZBQOSA-N 373.438 2.654 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 95518275 MDAVVPONGJFRMA-INIZCTEOSA-N 367.453 2.734 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1F 242774552 DTWUDKMVYVNXFD-NWDGAFQWSA-N 360.316 2.907 0 50 FFAA Cc1nc(CCCNC(=O)c2ccc(-c3nc(=N)cc[nH]3)cc2)sc1C 534575991 JCQIMAIKQJYIOH-UHFFFAOYSA-N 367.478 2.992 0 50 FFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cc(C2CC2)nn1C 299768839 QJWMBOHZPBCYCU-CYBMUJFWSA-N 359.474 2.552 0 50 FFAA O=C(O)C[C@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@H]1c1c[nH]nn1 299772359 ZMATYNIEIBUIFO-DZGCQCFKSA-N 359.430 2.531 0 50 FFAA Cc1c(NC(=O)N2CCC(N3CCOCC3)CC2)cccc1N1CCCC1 299763581 OXWQHNCWIGOBQV-UHFFFAOYSA-N 372.513 2.924 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N1CCO[C@@H](c2ccccc2)C1 1875264136 OQUZGTSIMOJPDG-QGZVFWFLSA-N 357.410 2.596 0 50 FFAA C[C@@H]1C[C@H](N=c2[nH]c(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1 1875280396 CVOZZWQTOSTRQM-BXUZGUMPSA-N 367.496 2.583 0 50 FFAA O=C(N[C@@H]1C[C@H]2C[C@@H](CO)C[C@H]21)c1nc(-c2ccccc2)ncc1Cl 1875308746 UTAPKHJWERJEMB-XKVFNRALSA-N 357.841 2.934 0 50 FFAA C[C@H](NS(=O)(=O)Cc1csnn1)c1ncc(-c2ccc(F)cc2)o1 1875361421 RXWUOCIGSBJXQE-VIFPVBQESA-N 368.415 2.513 0 50 FFAA CCc1ncoc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)CCc2cccs2)C1 1875315099 IOYNGUQEZKXFNW-CHWSQXEVSA-N 361.467 2.651 0 50 FFAA OCCN1CCN(Cc2cccc(Br)c2Cl)[C@H](C2CC2)C1 1875379367 RPNZCPQZUYHTFW-HNNXBMFYSA-N 373.722 2.991 0 50 FFAA O=C(Cc1cccc(C2CC2)c1)N[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1O 1875402260 DBIVDSLXAAEMFU-NIKGAXFTSA-N 373.884 2.912 0 50 FFAA CC(=O)N1C[C@@H](Nc2cc(NCC3CC3)ncn2)CC[C@H]1C(F)(F)F 886027808 XAXZZMHKGVZPCQ-STQMWFEESA-N 357.380 2.652 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc3c(c2)ncn3C)C1 888103126 ITDNZCCGJKVTMN-PBHICJAKSA-N 353.426 2.515 0 50 FFAA Cc1ccccc1CC(C)(C)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 45302446 NWQXBEWHTDRJIP-KRWDZBQOSA-N 370.449 2.676 0 50 FFAA in-vitro Cc1ncsc1CCC(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565508168 IAVQCFFUFPZLBW-HOTGVXAUSA-N 364.442 2.876 0 50 FFAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(Cc3sc(C)nc3C)C[C@@H]21 1565514426 HFROKTNREULFTA-KXBFYZLASA-N 374.462 2.831 0 50 FFAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)ccc1F 1565515683 ZTTJYUXLBSSROE-HOTGVXAUSA-N 350.415 2.695 0 50 FFAA COc1cncc(N2CCN(Cc3cc4c(C)c(C)ccc4[nH]3)CC2)n1 170598062 MOLVXCOPZUKORE-UHFFFAOYSA-N 351.454 2.906 0 50 FFAA CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)Cc1csc(NS(C)(=O)=O)n1 170629876 SDNVLKRQEPLOKI-TZMCWYRMSA-N 373.544 2.730 0 50 FFAA O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)N1CCN(c2cccnn2)CC1 280243614 IEXQPHVLUGCNCD-WMZOPIPTSA-N 369.444 2.784 0 50 FFAA CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 171453692 VRKXEZUQRJURQZ-HKUYNNGSSA-N 358.482 2.672 0 50 FFAA Cc1c(-c2cc(CN3CCn4c(C(C)C)nnc4[C@H]3C)on2)cnn1C 189582015 HGOZQWAZAAFUAX-CYBMUJFWSA-N 355.446 2.675 0 50 FFAA CS(=O)(=O)c1ccc([C@H](O)CN2CCc3cc(Cl)ccc3C2)cc1 192240983 USGGCEUGNJBJHU-GOSISDBHSA-N 365.882 2.835 0 50 FFAA CC1=C(C(=O)NCc2oc3ccccc3c2C)[C@H](C)n2ncnc2N1C 192216330 GDQGUZRVDPYVSP-ZDUSSCGKSA-N 351.410 2.934 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)O[C@@H]1CCN(c2cccc(Cl)c2)C1=O 777084760 AOXCKEMEEGVKTL-QGZVFWFLSA-N 373.840 2.833 0 50 FFAA COc1ccc(OCCCN2CCNC(=O)[C@H]2c2ccc(F)cc2)cc1 1506415372 XBJWNVKZMIKHOW-LJQANCHMSA-N 358.413 2.776 0 50 FFAA O[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)C[C@H]1Cc1ccccn1 1529125047 GMTCPNVVMFHYII-OXQOHEQNSA-N 368.868 2.956 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)N2CCC(F)(F)CC2)[C@H]1c1ccccc1 1529091065 NPJQLLTULAPMLQ-SJORKVTESA-N 366.408 2.621 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1ccccc1C(F)(F)F 1704311761 BWWBBKAAWVECRE-UHFFFAOYSA-N 368.403 2.870 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)cc2C)cc1 1193986 ARXWOZHFXFRELG-UHFFFAOYSA-N 352.843 2.637 0 50 FFAA C[C@H](C(=O)NC12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2)c1ccc(O)cc1 1772708061 CSEBJEXWMPYQOE-VQQJLRODSA-N 366.465 2.952 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCN(c2ccc(F)cc2)CC1 13331461 IGVBEKOBJNZPMM-UHFFFAOYSA-N 350.340 2.832 0 50 FFAA CC(C)CN1C(=O)N(C)C(=O)C12CCN(Cc1cccc(F)c1F)CC2 14536490 WRSRIFMRRBYLDK-UHFFFAOYSA-N 365.424 2.849 0 50 FFAA CC[C@@H](C)c1nc(-c2c(C)ncc3c2CCN(C(=O)[C@@H]2CCOC2)C3)no1 19221482 LTGFIEWYZYFSPH-TZMCWYRMSA-N 370.453 2.875 0 50 FFAA COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1 19773954 NMSWTVDSVSOVPS-UHFFFAOYSA-N 354.450 2.591 0 50 FFAA COCCN1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 150850300 GNSDENNUFYBLJK-QGZVFWFLSA-N 374.506 2.600 0 50 FFAA Cc1[nH]nc(O)c1[C@@H](c1ccc(Br)cc1)c1c(C)[nH][nH]c1=O 4549837 VRCYCOGRLSIOPJ-UHFFFAOYSA-N 363.215 2.691 0 50 FFAA O=C(c1ncccc1O)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857729299 DBLACIYFCFYSFT-SJLPKXTDSA-N 368.433 2.675 0 50 FFAA Cc1cc(CC(=O)N2CCc3c(-c4ccccc4)nn(C)c3CC2)on1 1857739907 YIMFJBXTJJZICC-UHFFFAOYSA-N 350.422 2.553 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 237536724 GGEYFAWHHXHYTM-IUCAKERBSA-N 356.797 2.859 0 50 FFAA COc1cccc(OC)c1[C@H]1CC(c2ccccc2)=NN1S(C)(=O)=O 328599870 UGJHKVPFAUQBNS-OAHLLOKOSA-N 360.435 2.815 0 50 FFAA CC[C@H](C)n1ncc(C(=O)N2CCC(N(C)c3cccnn3)CC2)c1C 331091388 WKGMEQDYIXKKCY-AWEZNQCLSA-N 356.474 2.694 0 50 FFAA Cc1ccnc2sc(C(=O)N3CCN(C)[C@@H](c4nccn4C)C3)c(C)c12 333016990 HEMPGSQOSYDCLI-CQSZACIVSA-N 369.494 2.776 0 50 FFAA O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2 19881073 GPOJSKQHJASXNG-KQZSUJQPSA-N 368.433 2.606 0 50 FFAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1cncc(Br)c1 495161014 FKKLXMUICRXWDC-OAGGEKHMSA-N 355.276 2.596 0 50 FFAA CCc1oc(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc1C 497498863 HERGGVXOFCVBLW-BEFAXECRSA-N 353.422 2.780 0 50 FFAA CC(C)(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)S(C)(=O)=O 264898373 DVWWQTHGNSSVKP-GOSISDBHSA-N 357.475 2.984 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)c1ccnc(NC3CCC3)c1)[C@@H]2C 907621225 RLCZFGQSTCZOSU-CYBMUJFWSA-N 354.458 2.978 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 858443746 GGGYKQCDZIUBER-UHFFFAOYSA-N 361.442 2.636 0 50 FFAA C[C@H]1Oc2ccc(S(=O)(=O)N3CCCCc4ccccc43)cc2NC1=O 12417037 NKXWTDIJGDLBQB-CYBMUJFWSA-N 372.446 2.938 0 50 FFAA CCOc1cc(S(=O)(=O)NCc2ccccn2)ccc1Br 4973654 MRMCOBYVEVTLIF-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA O=C(CN(C(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCC[C@H](O)C1 2325722027 UIGSRDNYXMOVNV-MJGOQNOKSA-N 352.434 2.753 0 50 FFAA CN(C1CCC1)S(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 2325776483 QNUUEXZHNKPDDD-LBPRGKRZSA-N 355.529 2.540 0 50 FFAA CC(C)n1cc(-c2ccccc2)nc1NC(=O)c1n[nH]c2c1CC[C@@H](N)C2 2325858489 PLGNRWFARPLWAP-CQSZACIVSA-N 364.453 2.922 0 50 FFAA CNCc1ncc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cn1 2325858737 YVDXERSONZVYDT-UHFFFAOYSA-N 358.405 2.787 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)no2)cc1 2325890065 ZXLIMZFCRRVOMB-MRXNPFEDSA-N 354.410 2.894 0 50 FFAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1COc2ccccc2O1 797605 JKDKXNBFRMMDQB-IBGZPJMESA-N 353.418 2.691 0 50 FFAA biogenic Cc1nc(NC(=O)CSc2nnc(-c3cccnc3)n2C)sc1C 905250 JFMSWYTZWDKJMZ-UHFFFAOYSA-N 360.468 2.681 0 50 FFAA CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1127733 WBBJKNYVIKGLII-INIZCTEOSA-N 366.527 2.927 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]21 2356136303 OLZHCOFCHDHIGO-CRFBAAHOSA-N 361.873 2.721 0 50 FFAA C[C@@H](c1ccc(-c2cnc3cncc(N4CCC(O)CC4)n23)cc1)N(C)C 2356138898 RWQVLDNELWSVSM-HNNXBMFYSA-N 365.481 2.980 0 50 FFAA Cc1noc([C@H]2CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)n1 246886757 UACJUQYDQZDUTO-YOEHRIQHSA-N 358.417 2.892 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 55851886 OXUMCCLNQXMXCQ-ZDUSSCGKSA-N 350.846 2.578 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 108694502 SOZJOVMPWLRKSZ-INIZCTEOSA-N 352.438 2.661 0 50 FFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2ncccc12 109325840 PKTMAHZRJVWHKU-GOSISDBHSA-N 374.400 2.704 0 50 FFAA Cc1noc(CSCC(=O)Nc2cc3c(C)cc(=O)oc3cc2C)n1 55309575 ODOMNHFRWQOJKB-UHFFFAOYSA-N 359.407 2.973 0 50 FFAA Cn1ccnc1C(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2)C1 20537203 FZMSGFLPQDJNDN-FQEVSTJZSA-N 374.435 2.827 0 50 FFAA Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)Nc1cnc2n1CCCC2 67713491 BXOYPWLBIDAYJT-INIZCTEOSA-N 368.437 2.898 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)c1 20455471 KYALGLZKIQIZRY-IBGZPJMESA-N 366.461 2.591 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cc(C(C)C)[nH]n2)C[C@@H]1CCO 20877541 SZCSOVIQWLDELH-FQEVSTJZSA-N 356.514 2.910 0 50 FFAA Cc1csc2c(NCc3cccnc3N3CCC[C@@H](O)C3)ncnc12 67561117 JSEMUTRCXROUIS-CQSZACIVSA-N 355.467 2.968 0 50 FFAA O=C(CCCn1cncn1)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65397798 FRIOPQOEQGEQSY-FQEVSTJZSA-N 352.438 2.915 0 50 FFAA Cc1nc(-c2ccccc2)c(C(=O)NCCSc2nncn2C)s1 65387778 DORYBOGXLDDVMM-UHFFFAOYSA-N 359.480 2.769 0 50 FFAA O=C(c1ccc(Br)cc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 4178831 HCOIFXIFHZTNHV-GFCCVEGCSA-N 369.112 2.870 0 50 FFAA O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O 153566645 XGQPWGRSLDLMIX-CYBMUJFWSA-N 355.785 2.603 0 50 FFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1cn(-c2ccccc2)nn1 72172729 JKMSZIOPYIYJHM-GOSISDBHSA-N 358.405 2.635 0 50 FFAA Cc1noc(C)c1S(=O)(=O)Nc1ccc2ccn(CCN(C)C)c2c1 127385524 OZMHGQOTULNHOC-UHFFFAOYSA-N 362.455 2.609 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2cnc3c(c2)CCCC3)N2CCOCC2)o1 216315805 CLTOGPNFMZHLHJ-IBGZPJMESA-N 369.465 2.665 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@@H]1c1ncc(-c2ccccc2F)[nH]1 363624104 XIKRLNOCQQVXMN-OAHLLOKOSA-N 353.357 2.689 0 50 FFAA COc1nc2c(cc1CNC(=O)[C@@H]1CC=CCC1)C(=O)N(C1CCCC1)C2 71762606 GVWHGDFIWIVTTG-CQSZACIVSA-N 369.465 2.961 0 50 FFAA CCOc1ncccc1C(=O)N1CCCN(Cc2ccccc2F)CC1 77470553 PRJWKOGOWLIFAM-UHFFFAOYSA-N 357.429 2.968 0 50 FFAA C[C@]1(F)C(=O)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 71974003 OUKYMZJNLWKCSO-JXXFODFXSA-N 372.348 2.723 0 50 FFAA CCOC(=O)CCNC(=O)Nc1c(C)nn(Cc2cccc(C)c2)c1C 13331657 IUIMJCWGKWVFJQ-UHFFFAOYSA-N 358.442 2.931 0 50 FFAA CCCCN1C[C@@]2(CCCN(Cc3nc(CSC)no3)C2)CCC1=O 77454921 YFSIQYHSYNNXQA-SFHVURJKSA-N 366.531 2.937 0 50 FFAA C[C@@H]1CC(NC(=O)[C@@H](C)n2c(S)nnc2-c2cccs2)C[C@@H](C)O1 130828445 AGMHFLNUWHWRCI-GMTAPVOTSA-N 366.512 2.929 0 50 FFAA CCOC(=O)N1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 36360438 RKLBKEHCTBIYFG-UHFFFAOYSA-N 365.480 2.715 0 50 FFAA O=C(NCCC12CCCN1CCC2)c1ccc(C[C@@H]2CCCNC2)cc1 72173699 YADARAWGPOTJLI-IBGZPJMESA-N 355.526 2.977 0 50 FFAA COc1ccc(N[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)cc1 72139156 FJFYCDTVYZMDLJ-MRXNPFEDSA-N 359.495 2.949 0 50 FFAA CN(C)Cc1nnc([C@@H]2CCCN(Cc3ccc(Cl)s3)C2)n1C 72462666 CRNNWDXNXAFATN-GFCCVEGCSA-N 353.923 2.971 0 50 FFAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2-c2nnn[nH]2)C1 77523012 GUFITDKFOQUARU-OAHLLOKOSA-N 361.405 2.602 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cc(C)on1)CC2 426433639 KFBYVTITSDNHHO-SIXWZSSISA-N 357.410 2.609 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)CCc1cccnc1 82156078 GKKCFSBJSVBYRV-CQSZACIVSA-N 357.841 2.932 0 50 FFAA Cc1cn2cc(C(=O)NCCSCc3ccc(CN(C)C)o3)ccc2n1 82157744 JILQHWPLJAQBHK-UHFFFAOYSA-N 372.494 2.961 0 50 FFAA C[C@H]1CCCN(C(=O)CCN2CCn3nc(Cc4ccccc4)cc3C2)C1 97532263 NADSWDBRSRPVFC-SFHVURJKSA-N 366.509 2.938 0 50 FFAA O=C1C[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)Oc2ccccc21 97244011 DNNCQGLWMQGMRK-OAQYLSRUSA-N 374.400 2.722 0 50 FFAA O=C1CC2(CCN(c3ncccn3)CC2)CN1CCCc1ccccc1 91616816 VAAOJVHMQFPYNO-UHFFFAOYSA-N 350.466 2.928 0 50 FFAA COC(=O)CCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN2C 95516768 TUEASTALXLINGU-GOSISDBHSA-N 358.482 2.810 0 50 FFAA O=C(O)CN1CC2(CCC1=O)CCN(Cc1ccccc1Cl)CC2 91907428 GRHILNYWRHBGBN-UHFFFAOYSA-N 350.846 2.629 0 50 FFAA Cc1ccc(-c2ncc(C(=O)N(C)CCN3CCCC[C@@H]3C)c(=O)[nH]2)cc1 91624742 NIYAKVGHKYGDJI-INIZCTEOSA-N 368.481 2.692 0 50 FFAA O=C(Cn1c(=O)ccc2ccccc21)N1CCC(CCn2cccn2)CC1 95529070 SZGMELOHWLIFFJ-UHFFFAOYSA-N 364.449 2.527 0 50 FFAA Cc1ccccc1CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1 91892740 FYBNUINCYGEJHF-UHFFFAOYSA-N 352.482 2.809 0 50 FFAA COCCc1noc([C@@H]2CCCCN2c2nc3c(s2)c(C)nn3C)n1 95516471 VWLANIZIKRTPDD-NSHDSACASA-N 362.459 2.642 0 50 FFAA Cc1nccn1CC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 91596060 CZGQQNDORZNGFZ-HXUWFJFHSA-N 355.438 2.792 0 50 FFAA O=C(CCC1CCN(C(=O)[C@H]2CCOc3ccccc3C2)CC1)NC1CC1 95531226 MRDMUEBWZYHSSZ-SFHVURJKSA-N 370.493 2.925 0 50 FFAA Cn1cc(Br)cc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 252368054 IWTBQHFADKVOPH-XWIASGKRSA-N 355.232 2.646 0 50 FFAA Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2cc(O)ccc2n1C 252488580 IUYLHVYLCJFZON-KRWDZBQOSA-N 371.481 2.566 0 50 FFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1F 263619257 XSXAQMDDKPYLIM-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA O=C1CC[C@@H](CN(Cc2cccnc2)C(=O)CCCc2ccc(F)cc2)N1 299791182 CRSHKSYKLMCHOX-IBGZPJMESA-N 369.440 2.851 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(C[C@@H]2CCCCO2)CCO3)nc1 825195310 LKBUVWXOBIAGBI-FQEVSTJZSA-N 359.514 2.626 0 50 FFAA COCCc1nc([C@H]2CCCCCN2C)n(-c2ccc3c(c2)OCO3)n1 670448155 XSINBNGIKGWKNH-OAHLLOKOSA-N 358.442 2.732 0 50 FFAA Cc1nccn1CCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 670462930 NVPYZMGXYOXCIZ-SFHVURJKSA-N 373.476 2.637 0 50 FFAA COC(=O)C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2C)CCO1 1875263431 YBTOBUQQORSZRN-LBPRGKRZSA-N 360.332 2.810 0 50 FFAA CC(=O)Nc1cc(C(=O)/N=c2/sccn2Cc2ccccc2F)ccn1 1875309456 UUNOYMBWIAUTRB-RELWKKBWSA-N 370.409 2.832 0 50 FFAA C=CC(=O)N1CC(F)(F)C[C@H]1CNC(=O)[C@H](C)Oc1ccc(C)cc1C 1875389644 WPECYMHSVOYBGI-GJZGRUSLSA-N 366.408 2.609 0 50 FFAA O=C(N[C@H](C[C@@H]1CCCCN1)C(F)(F)F)c1conc1[C@@H]1CCCO1 1875404846 XZFWYGJHENXIPS-WCFLWFBJSA-N 361.364 2.719 0 50 FFAA O=C(c1ccco1)N1CCC[C@@H](NCc2cnc(-c3ccccn3)nc2)C1 952979552 UHRHJFFVHUMXQD-MRXNPFEDSA-N 363.421 2.526 0 50 FFAA COc1cccc(CCC(=O)NC[C@H]2CCCN(C(=O)C3CC=CC3)C2)c1 952988489 QBNZZVAOTUZKKY-GOSISDBHSA-N 370.493 2.949 0 50 FFAA CC(=O)N1C[C@@H](NCc2cn3cc(C)ccc3n2)CC[C@@H]1C(F)(F)F 886038325 YGTYZWGHGSDFDV-DZGCQCFKSA-N 354.376 2.674 0 50 FFAA COCCN1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C 170601583 VAVVTFSAIJFJLS-MSOLQXFVSA-N 369.550 2.676 0 50 FFAA Cn1nc2c(cc1=O)CN(CCCc1ccc(C(F)(F)F)cc1)CC2 170652163 FCHQAVDHVGOPSF-UHFFFAOYSA-N 351.372 2.790 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C[C@H]1CO 189175588 WAZOEKYETVWXNF-BDAKNGLRSA-N 357.781 2.608 0 50 FFAA C[C@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)NCC(F)(F)F 775112778 CLXHLZNJGKQZQT-ZETCQYMHSA-N 359.222 2.809 0 50 FFAA Cc1cccc(NC(=O)CC(=O)N2C[C@]3(C)CN(C)C[C@](C)(C2)C3)c1C 1506406956 LBBOHCSNNHWDAA-OYRHEFFESA-N 357.498 2.822 0 50 FFAA CCOc1ccccc1CN(CC)S(=O)(=O)N1CCC[C@@H](COC)C1 1506404266 YWTFVERXKOECCF-MRXNPFEDSA-N 370.515 2.510 0 50 FFAA COc1cc(Cl)ccc1C(=O)N(CCN(C)C)Cc1[nH]cnc1C 1704330916 IDTLOXXEUGVGQW-UHFFFAOYSA-N 350.850 2.584 0 50 FFAA Cn1nc(-c2ccc(OCC(=O)N3CCCC3)cc2)c2ccccc2c1=O 1113111 WVUHHISSBHQBCF-UHFFFAOYSA-N 363.417 2.602 0 50 FFAA O=C1C[C@@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1Cc1ccccc1 5015746 UXOMCKBUZWTLOF-ROUUACIJSA-N 354.450 2.578 0 50 FFAA CN1CC[C@@](C)(C(=O)N2CCCN(C/C=C/c3ccc(F)cc3)CC2)C1 1775979227 YWAFMHMPLKBSIG-LAEWNIMASA-N 359.489 2.715 0 50 FFAA Cc1nc(C(=O)N2CCCN(c3cnc4ccccc4n3)CC2)cs1 1772818585 HJSNDHJSOFCLSG-UHFFFAOYSA-N 353.451 2.747 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cs1 16649184 QRLMJBCAXKLHLM-UHFFFAOYSA-N 364.370 2.927 0 50 FFAA COc1ccc2c(c1OC)CN(C)[C@@H]1c3cc4c(cc3C[C@@H](O)[C@H]21)OCO4 900998 MADYLZJCRKUBIK-UIAACRFSSA-N 369.417 2.620 0 50 FFAA biogenic COc1ccc(Br)cc1S(=O)(=O)NCc1cccs1 7213625 KAGDCLWKPDJQIY-UHFFFAOYSA-N 362.270 2.998 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cc(-c3cccs3)nn1C)CCC2 1857666864 XUGCXLOUDLCHEI-GFCCVEGCSA-N 355.467 2.998 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3csc(-c4ccccc4)n3)C[C@H]2O)n[nH]1 1857721685 BDGFMJHGOSDVHX-RHSMWYFYSA-N 368.462 2.517 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc3c(c2)OCCO3)cn1 328626233 DXFVIVQZTWPBGE-BEFAXECRSA-N 356.426 2.624 0 50 FFAA O=C(O)Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)n1 122720877 KWMVQTQGRNTUOG-GHMZBOCLSA-N 369.299 2.609 0 50 FFAA C[C@]1(c2ccc(Cl)cc2)CC(=O)N(CC(=O)N2CCCCCC2)C1=O 333525495 LIAZFDXSXAAJTH-LJQANCHMSA-N 362.857 2.759 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N(CCC(=O)O)C3CCOCC3)cc2c1 237897662 YPTBAPDBWQMEMY-UHFFFAOYSA-N 356.422 2.948 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CC[C@H](c2cccc(OC)c2)[C@@H](O)C1 248036640 MWEDPSWZISNAKF-QAPCUYQASA-N 363.889 2.995 0 50 FFAA Cc1cccc(OCCN(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1 485867137 DEWRWJHRKSZDRL-IEBWSBKVSA-N 357.454 2.734 0 50 FFAA C[C@H](c1nnc(-c2cccc(F)c2)s1)N1CCN(c2ncc[nH]2)CC1 2325755667 QBVHBKSVVHXRFB-GFCCVEGCSA-N 358.446 2.951 0 50 FFAA CN1C(=O)COc2ccc(C(=O)NC[C@H]3C[C@@H](c4ccccc4)C3)cc21 2325758572 KMBFIOIGCSIXJB-KDYLLFBJSA-N 350.418 2.965 0 50 FFAA Cc1cn(C(C)(C)C(=O)N2C[C@H]3C(F)(F)C(F)(F)[C@@]3(Cl)C2)cn1 2325762146 BSBPBATUPZXOJJ-BXKDBHETSA-N 353.747 2.647 0 50 FFAA O=C1CCCc2ccc(C(=O)N3CCC[C@H]([C@]45CC[C@@H]4CCN5)C3)cc2N1 2325793084 DZQSETGGWGGMSK-FGSXEWAUSA-N 367.493 2.956 0 50 FFAA CC(C)C[C@H](C(=O)N1CCC(C(=O)O)(C(=O)O)C1)c1ccc(Cl)cc1 2325802870 BYWLWRBRPKLGCQ-AWEZNQCLSA-N 367.829 2.858 0 50 FFAA CC(C)C(=O)N1C[C@@H](NC(=O)c2ccc3cccnc3c2)[C@H](C(F)F)C1 2325871740 WZIACZJRSPUPNB-GDBMZVCRSA-N 361.392 2.713 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCc4nncn4CC3)cc2)c1C 880076774 IPUXLXUWCFOKEC-HNNXBMFYSA-N 350.426 2.672 0 50 FFAA O=C(NCCCOc1cccnc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12304315 WLKSGQWHYMYUIF-GOSISDBHSA-N 373.497 2.786 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1 780583 XMOPYJNOJNSWCJ-UHFFFAOYSA-N 357.414 2.553 0 50 FFAA O=C(CCN=c1[nH]oc(-c2ccccc2)c1C(=O)O)NC1CCCCC1 2356143242 ZVNADGLNNZCBBG-UHFFFAOYSA-N 357.410 2.713 0 50 FFAA COc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1 4615631 OFWHKNBYJDRKMJ-UHFFFAOYSA-N 356.241 2.936 0 50 FFAA COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCOC2)cc1 8657270 RCCCTSHDKFXNHM-UHFFFAOYSA-N 353.378 2.593 0 50 FFAA COc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)ccc1OC1CCN(C(C)=O)CC1 101810711 AEMDIBONLGXSCK-RDJZCZTQSA-N 372.465 2.709 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)s1 52551232 HINDGBYDWXVEIT-UHFFFAOYSA-N 358.463 2.788 0 50 FFAA CC[C@H](O)CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 67688382 RHOLWRQXSHULBN-KRWDZBQOSA-N 360.433 2.682 0 50 FFAA CN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 20108626 DMJXEFQODCGCCQ-UHFFFAOYSA-N 372.490 2.891 0 50 FFAA O=C(CCN1CCCCO1)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 67967631 VKDDOIPPDMORAW-IBGZPJMESA-N 366.465 2.877 0 50 FFAA Cc1cc(C)n2ncc([C@@H]3CC(=O)Nc4c3c(-c3cccnc3)nn4C)c2n1 65370197 VOXMNTHAICJCRR-AWEZNQCLSA-N 373.420 2.616 0 50 FFAA CCOC(=O)c1cn2cc(Cl)cc(I)c2n1 14007472 VMOLSCRXCGGQIQ-UHFFFAOYSA-N 350.543 2.769 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cnc(Nc2ccccc2)nc1 77519628 JXNASYASPQXNAH-KRWDZBQOSA-N 367.453 2.693 0 50 FFAA CC(=O)N1CCc2cc(C(=O)NC[C@H](O)c3cc(C)cc(C)c3)ccc21 282625691 AMNIUSCVOOCVKZ-FQEVSTJZSA-N 352.434 2.676 0 50 FFAA CCOc1cc(CNC(=O)N[C@H]2CCN(c3ccccn3)C2)ccc1OC 120831870 HEXRDXGAMGZUGX-INIZCTEOSA-N 370.453 2.567 0 50 FFAA CC(C)c1cccc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)n1 328623895 CCELZEJPHBCPJT-INIZCTEOSA-N 355.442 2.817 0 50 FFAA C[C@@H](C(=O)N1CCN[C@H](c2cccc(F)c2)C1)n1cnc2ccccc21 328658620 RJTACLZPXBAVTN-KSSFIOAISA-N 352.413 2.910 0 50 FFAA CC[C@H]1CN(C(=O)c2csc(NC)n2)CCC(=O)N1Cc1ccccc1 71774560 BYKXWKMQIUXOLH-HNNXBMFYSA-N 372.494 2.838 0 50 FFAA CC[C@H]1CCCCN1C(=O)CN1CCn2c(nnc2-c2ccccc2)C1 174500059 FATWSLKOVLVVJV-KRWDZBQOSA-N 353.470 2.552 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3ccc4c(c3)ncn4C)CC2)oc1C 372821930 KJEZCEWLJGRAIU-UHFFFAOYSA-N 367.453 2.526 0 50 FFAA C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CCO1 378558185 GJGDEQTWSDWKLK-FVQBIDKESA-N 355.442 2.886 0 50 FFAA O=C(CCc1ccccc1)C(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 216223020 XQFGHKXBAJLFMN-UHFFFAOYSA-N 360.417 2.558 0 50 FFAA COc1ccc2nc(CCN(C)c3cc(C)nc4cc(C)nn34)[nH]c2c1 72432010 KENRUSHTHYYZJD-UHFFFAOYSA-N 350.426 2.910 0 50 FFAA CN(C)CCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77339479 CPFPWEMKOLZWKD-JOCHJYFZSA-N 357.542 2.885 0 50 FFAA CCO[C@@H]1C[C@](NC(=O)c2ccc(-n3ccc(C)n3)cc2)(C(=O)O)C1(C)C 262837739 SVOFYEKXNSZSPW-UZLBHIALSA-N 371.437 2.569 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cn(-c3ccccc3Cl)nn2)C1 238021726 HVNLDDNQGQBZAO-GFCCVEGCSA-N 362.817 2.638 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)c1[nH]nc(N)c1Cl 215030235 KNYYDCUVUBZTDM-UHFFFAOYSA-N 362.796 2.517 0 50 FFAA CCNC(=O)N1CCC(Nc2nc(C3CCCC3)nc3c2cnn3C)CC1 72425528 LUPIOVXXVGNGLM-UHFFFAOYSA-N 371.489 2.627 0 50 FFAA O=C(c1ccco1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72129741 JAMQQTVALGCNRH-CWFSZBLJSA-N 366.417 2.711 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)no1 72156779 NTEUSSNRGBBXKZ-GFCCVEGCSA-N 364.396 2.552 0 50 FFAA O=C(O)CSCC(=O)Nc1sccc1C(=O)Nc1ccccc1 17072700 MYPOKQBKLRCSOI-UHFFFAOYSA-N 350.421 2.757 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)no1 72146827 NSUYVXSWYNGGFY-CYBMUJFWSA-N 364.396 2.552 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 176180198 XIZCICCJIVLPCW-HOTGVXAUSA-N 373.432 2.598 0 50 FFAA C[C@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)c1ccc2nonc2c1 82127041 UVWGROJFKMVVRV-NSHDSACASA-N 370.796 2.754 0 50 FFAA CCOCCCN1CC[C@H](N2C(=O)CN(Cc3ccccc3)C2=O)[C@@H](C)C1 242339347 ZHBJIYXTOGBAOQ-HKUYNNGSSA-N 373.497 2.588 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H](O)c3cccc(Cl)c3)CC2=O)cc1 82115285 NBWLDHGZAOBOAC-SFHVURJKSA-N 358.825 2.557 0 50 FFAA Cc1nccn1CCCC(=O)N1CC(=O)N(c2ccccc2Cl)C[C@H]1C 82083727 XAZIFJZBMFUQAD-CQSZACIVSA-N 374.872 2.889 0 50 FFAA Cc1nc2ccc(C(=O)NCc3cc4n(n3)CCN(CC(C)C)C4)cc2o1 82107064 WZGCCDFPHGCWFV-UHFFFAOYSA-N 367.453 2.734 0 50 FFAA CC1(C)CC(=O)N(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 19148905 NEVFRODNAKJEPT-AWEZNQCLSA-N 355.438 2.792 0 50 FFAA O=C1C[C@@H](Cc2ccc(N3CCSCC3)nn2)CN1c1ccccc1 223158805 LXRUEBXBLBKINJ-OAHLLOKOSA-N 354.479 2.625 0 50 FFAA Cc1nn(CC(=O)NCc2coc(-c3ccccc3)n2)c(=O)c2ccccc12 132954004 NRCBRIIZVZJUOS-UHFFFAOYSA-N 374.400 2.676 0 50 FFAA CN(C)C(=O)CCc1cccc(NC(=O)N2CC(c3ccccn3)C2)c1 426649596 JLNXXJMXBXJTAF-UHFFFAOYSA-N 352.438 2.734 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1c(F)cccc1Cl)C2 221236769 UOJBJAWQOMUTPC-LLVKDONJSA-N 351.809 2.704 0 50 FFAA COc1cccc(CN2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2=O)c1 82137483 PEDKQWDYBKNVQU-UHFFFAOYSA-N 369.465 2.736 0 50 FFAA COc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)ccc1OCCN 426715879 KPSRVPZUJLNJCR-UHFFFAOYSA-N 369.465 2.523 0 50 FFAA CO[C@@H](C)CCNC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 426474087 COKAEURUWUQTTQ-AWEZNQCLSA-N 361.463 2.912 0 50 FFAA CCc1ccc(CN(C)C(=O)Nc2cccc(-c3nnn(CC)n3)c2)nc1 96152870 ZGRSYLOLRKTDJO-UHFFFAOYSA-N 365.441 2.981 0 50 FFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2 95384462 VOZGKLMMWZAOGE-AWEZNQCLSA-N 370.371 2.603 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 97660442 NLZCLPXTDNDBOR-HNNXBMFYSA-N 355.398 2.650 0 50 FFAA CCc1nc(C[C@H]2C=CS(=O)(=O)C2)n(-c2ccc3nc(C)sc3c2)n1 96166582 VUFFERXDAVZJAC-GFCCVEGCSA-N 374.491 2.849 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCN(Cc3ccccc3F)CC2)C2(CCCC2)O1 97823033 UZWMDXGWNOMREC-KRWDZBQOSA-N 374.456 2.736 0 50 FFAA CC(C)[C@H]1C=CCN1C(=O)NCCn1nc(-c2ccccc2)ccc1=O 426420622 LERPWZLWVQMSLO-GOSISDBHSA-N 352.438 2.516 0 50 FFAA Cc1cnn(CC(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)c1 95370701 YDHXHNWTWJAHIS-LEWJYISDSA-N 366.509 2.747 0 50 FFAA Cc1nc(CC2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)no1 91426264 QTHGDOXCGLYXOB-UHFFFAOYSA-N 351.410 2.863 0 50 FFAA O=C(c1ccc2ncsc2c1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91518673 XVAAGHJQMXIWSO-DZGCQCFKSA-N 365.462 2.827 0 50 FFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1nc(-c3ccccc3)[nH]c1C)C2 95523635 KFAXNGFFUIPJCQ-DLBZAZTESA-N 366.465 2.858 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91289124 RMDJNYLNVIKJMM-NRFANRHFSA-N 368.481 2.527 0 50 FFAA C[C@H](C(=O)NCc1nc2c(s1)CCCC2)c1n[nH]c(=O)c2ccccc12 244673674 HTODZLSOHDMKRN-NSHDSACASA-N 368.462 2.678 0 50 FFAA COC(=O)c1nn(C)cc1-c1ccc(C(=O)NCCc2ccc(C)o2)cc1 534648697 SXIYQUDIBJRYKF-UHFFFAOYSA-N 367.405 2.748 0 50 FFAA CCc1oc2c(NC(=O)NCCN3CCC[C@H](C(N)=O)C3)cccc2c1C 299767066 DMLMSJVTXCECCQ-AWEZNQCLSA-N 372.469 2.622 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cc1OCCCN 299754996 BFKUUAOVQRPWJD-SFHVURJKSA-N 354.450 2.710 0 50 FFAA Cc1ccc([C@H](C(=O)NCCN2CCc3ccccc3C2)N(C)C)cc1 823649049 WICFNRVLRNYXBR-OAQYLSRUSA-N 351.494 2.772 0 50 FFAA O=C(NCc1cc(C2CC2)on1)N1CCC[C@H](OCc2ccccn2)C1 584889860 LKTQQIPUBINFAL-KRWDZBQOSA-N 356.426 2.838 0 50 FFAA O=S1(=O)CC[C@H](CCN(CCc2ccccc2)Cc2cccnc2)C1 683223592 PBRBWWJMAKICTE-IBGZPJMESA-N 358.507 2.951 0 50 FFAA Cc1ccnc(CC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 1875299325 HPRYSXYPLAIGPI-UHFFFAOYSA-N 359.451 2.501 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](N(C)c3ccc(C)cc3)C2)CC1 1875365138 GEYYQFGZLXZPKQ-FQEVSTJZSA-N 369.509 2.847 0 50 FFAA Cn1nc(O)cc1C(=O)NCc1cc(Oc2cccc(Cl)c2)ccn1 1875317781 DTXYHVNTKIYRBM-UHFFFAOYSA-N 358.785 2.896 0 50 FFAA CN1Cc2cc(S(=O)(=O)N(C)[C@@H]3C[C@@H]3c3ccccc3)ccc2OC1=O 1875306106 TVKFVTVPDGTNQS-IAGOWNOFSA-N 372.446 2.807 0 50 FFAA CC(=O)N1C[C@H](NCc2nc3ccccc3n2C)CC[C@@H]1C(F)(F)F 886036585 YSBWVGWPXCRCGN-IUODEOHRSA-N 354.376 2.605 0 50 FFAA Cc1nc(N2CCC(S(=O)(=O)N3CCCCC3)CC2)nc2ccccc12 896591291 AOUCVGUCWHYJRQ-UHFFFAOYSA-N 374.510 2.723 0 50 FFAA C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)NC[C@H](CO)CC1CCCCC1 170611738 TUPXCNTYOSRMNP-NGRMBUTOSA-N 372.509 2.900 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1OC(F)F 225400168 DEZLTFVIGBRLIX-WUHRBBMRSA-N 354.353 2.938 0 50 FFAA CCCC(=O)N1CCC(C(=O)N[C@@H](CC2CCCCC2)C(=O)OC)CC1 225430334 YBPIGHYWWBJTPV-KRWDZBQOSA-N 366.502 2.653 0 50 FFAA CCc1nc(C2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)n[nH]1 190645084 FPVLJCVNLXJZIV-QGZVFWFLSA-N 358.486 2.603 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)O 1506411926 LXPXYILZHLDQKR-UHFFFAOYSA-N 356.407 2.715 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)NC2c3ccccc3-c3ccccc32)C1 1506407002 IAWBXWHOYNRRES-HNNXBMFYSA-N 372.490 2.949 0 50 FFAA COC(=O)[C@@H]1C(=O)N(c2ccc(C)cc2)C(c2ccccc2)=NC1=S 715364 DYRSNFLOVVQYNW-HNNXBMFYSA-N 352.415 2.905 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 1061849 GFFDRKWAWLYLOP-UHFFFAOYSA-N 368.842 2.656 0 50 FFAA COC(=O)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 1128555 ZAPAGCHCIPVWTD-MHWRWJLKSA-N 354.337 2.705 0 50 FFAA OC1CCN([C@H]2CCN(Cc3ccc(-c4ccccc4)cc3)C[C@@H]2O)CC1 1614385643 DJYANRITHWBEBZ-GOTSBHOMSA-N 366.505 2.746 0 50 FFAA Cc1ccnc(N2C[C@H]3CN(C(=O)C4CCCCCC4)C[C@@]3(CO)C2)c1 1772813780 SYVIZUMSVLJUTH-GHTZIAJQSA-N 357.498 2.618 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)s1 1772708403 CUJVPSFHGRHXJW-PMPSAXMXSA-N 372.490 2.837 0 50 FFAA O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)Cn2cncn2)C1 12005306 QUSXVEMDOQFVDZ-KRWDZBQOSA-N 374.444 2.651 0 50 FFAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Cn2nc(C)nc2C)C1 12314250 QNBYCGJQFGMDOY-OAHLLOKOSA-N 372.494 2.738 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(c4cnccn4)C3)C2=O)c1 12471648 ZVRNHTHUFXPBID-FQEVSTJZSA-N 370.428 2.643 0 50 FFAA Cc1csc(CNC(=O)[C@H]2CCCN(C3CCN(C(C)C)CC3)C2)n1 12702579 DEQZTABFUSGLBT-INIZCTEOSA-N 364.559 2.653 0 50 FFAA COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 4943646 GDEWZWSYYDXQNH-UHFFFAOYSA-N 353.378 2.783 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O 4881492 MFCZABIZEYXGHQ-NTEUORMPSA-N 360.366 2.826 0 50 FFAA COc1cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)ccc1OCCN1CCCCC1 1857682994 OIPDYYJKKULVGU-PMOLBWCYSA-N 374.525 2.763 0 50 FFAA Cc1ccc2ncnc(N3CCC4(CC3)C[C@H](O)C[C@H](C(C)C)O4)c2n1 1857735969 WWEKMYMPQOZXCF-NVXWUHKLSA-N 356.470 2.868 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1Cl 408394033 MFUVMDXRAJXICW-SUHUHFCYSA-N 361.891 2.827 0 50 FFAA CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3C(=O)O)n2)cc1 236853389 PGSTUQIYIKEMBX-OAHLLOKOSA-N 357.410 2.868 0 50 FFAA C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[C@H](CCO)C1 334076185 LISNIRKCSOAWJX-NWDGAFQWSA-N 373.266 2.933 0 50 FFAA CCN1CC[C@@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 246325367 CNZNMZHJPXWGMB-FUHWJXTLSA-N 355.486 2.744 0 50 FFAA COCc1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)o1 374236495 CIXPXKLYMFGCPB-OAHLLOKOSA-N 354.406 2.991 0 50 FFAA Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 3953496 ZCZDNKLEODZUQD-UHFFFAOYSA-N 355.463 2.958 0 50 FFAA Cc1cn2c(CN(C)C(=O)[C@H]3CCc4ncc(C)n4C3)c(C)nc2s1 2325799597 KSARPTNKKAGETE-AWEZNQCLSA-N 357.483 2.739 0 50 FFAA Cc1nc(C(=O)Nc2ncc(C[C@H]3CCCOC3)s2)ccc1C(=O)O 2325828553 KQYLVSNJTKUZKA-LLVKDONJSA-N 361.423 2.766 0 50 FFAA Cc1ccc(-c2nc(CS(C)(=O)=O)nn2C2CC2)cc1-c1cnn(C)c1 2325872962 SYEBIVQDWJDFIU-UHFFFAOYSA-N 371.466 2.534 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccnn2-c2cccc(Cl)c2)CC1 2325884155 XNKHQZVKUMZTKP-UHFFFAOYSA-N 358.829 2.889 0 50 FFAA COC[C@H](C)NS(=O)(=O)c1ccc(-c2ccc(OC)c(F)c2)s1 2356142271 LRIJZIILMIRHAM-JTQLQIEISA-N 359.444 2.876 0 50 FFAA COc1cc(CSc2ncn[nH]2)c(OC)cc1CSc1ncn[nH]1 6549565 RERXLIQDIRLVSN-UHFFFAOYSA-N 364.456 2.525 0 50 FFAA CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 247515236 YRHCADKNYGSEBC-MAUKXSAKSA-N 359.514 2.807 0 50 FFAA CCc1oc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1CN(CC)CC 55134223 QOUOQIRBOXZYHT-UHFFFAOYSA-N 370.453 2.783 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)CC(=O)Nc1cc(C)cc(C)c1 55167282 JKCWRSVIPSBDAY-GOSISDBHSA-N 355.438 2.873 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)CCc2c(C)nn(C)c2C)CC1 29695224 KVPODBGTJDVGLY-UHFFFAOYSA-N 370.497 2.717 0 50 FFAA OCCn1c(N2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc21 65386180 XQKUZFUUGUUUKC-RMKNXTFCSA-N 362.477 2.864 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cccc(-n2cnnc2)c1 65489801 QKXNTENYQPMDIC-AWEZNQCLSA-N 364.405 2.872 0 50 FFAA O=c1[nH]nc(CC2CCN(CCC(F)(F)F)CC2)n1-c1ccccc1 67674267 QEKONAIADPVREO-UHFFFAOYSA-N 354.376 2.768 0 50 FFAA Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H]2CC23CCNCC3)cc1 136957529 LUTVRGZRUWRYBW-INIZCTEOSA-N 354.410 2.564 0 50 FFAA Oc1cc(-c2cccnc2)cc2c1OCCN(c1ncnc3[nH]cnc13)C2 67472897 DLRLBOVDODXHMX-UHFFFAOYSA-N 360.377 2.520 0 50 FFAA Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)Nc1cnc2n1CCCC2 67713492 BXOYPWLBIDAYJT-MRXNPFEDSA-N 368.437 2.898 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC(N4CCC[C@H](CO)C4)CC3)cc2c1 67834244 NELISVLBOKOYEO-KRWDZBQOSA-N 369.509 2.505 0 50 FFAA Cn1ccnc1C[C@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 120094786 RJKVOOSVXXBQRK-OAHLLOKOSA-N 371.485 2.875 0 50 FFAA COc1ccc(CN(CCc2ccccc2)C(=O)C2(C(N)=O)CC2)cc1 1506413844 MCFVIBNUGZQWLO-UHFFFAOYSA-N 352.434 2.532 0 50 FFAA O=C(CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1)NCc1ccco1 67841389 LQYUVXQPSVXJIJ-UHFFFAOYSA-N 373.359 2.887 0 50 FFAA O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(NCC2CC2)nc1 282624811 FKFDXZBSDNNUHK-MRXNPFEDSA-N 350.422 2.759 0 50 FFAA Cc1nn(C)cc1[C@@H](C)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 173024488 WFHGCUZXQDBDDF-QVKFZJNVSA-N 368.481 2.848 0 50 FFAA Cc1ccc(NC(=O)CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)c(F)c1 65398775 SGTYHCFEROHFQQ-GOSISDBHSA-N 361.392 2.631 0 50 FFAA CCCCc1nn(CC(=O)N2CCC[C@@H](C)C2)c(=O)n1Cc1ccccc1 77505073 GXWHPNNPNKRYKY-QGZVFWFLSA-N 370.497 2.694 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1)N1CCCC1 71754362 ATZHYJURNAYODS-LJQANCHMSA-N 371.525 2.691 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1 366766189 CSRNRUARAOGKHP-FTRWYGJKSA-N 370.453 2.981 0 50 FFAA Cc1c(Cl)c(C(=O)N2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)nn1C 72429624 JXNRNFAJPQNFCO-ZDUSSCGKSA-N 361.829 2.785 0 50 FFAA COC[C@@H](C)n1c(CCCC(=O)N2CCSCC2)nc2cccnc21 77525253 KUHHKFSJPQXPTB-CQSZACIVSA-N 362.499 2.537 0 50 FFAA C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(CN)cc2)CC1 237505715 WOYYLDCMPQNLBF-AWEZNQCLSA-N 359.420 2.943 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2cccc(COc3cccc(F)c3)c2)CCO1 262466613 YENKPSFUHCCIQU-SFHVURJKSA-N 373.380 2.720 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 72161208 OSNHXKXSMWSMJO-UHFFFAOYSA-N 366.421 2.636 0 50 FFAA COc1ccc(-c2nc(CN3CCC[C@@H](C(N)=O)C3)c(C)o2)c(C)c1C 71762252 GBNVLSVXHUOMAF-OAHLLOKOSA-N 357.454 2.973 0 50 FFAA CSc1ccccc1NC(=O)N1CCn2nc(CCC(=O)O)cc2C1 72433533 PIWQVGJMSSRPSU-UHFFFAOYSA-N 360.439 2.670 0 50 FFAA COc1ccccc1CN1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 72407744 IPZZIOUULXPXSZ-SFHVURJKSA-N 369.513 2.799 0 50 FFAA CCNC(=O)[C@@H]1CCN(Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 71752737 OABBSFKWNPEVFB-CYBMUJFWSA-N 361.417 2.756 0 50 FFAA CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)cc1 246268482 MCJKXQOOEISFTG-RCCFBDPRSA-N 356.447 2.940 0 50 FFAA O=C(Nc1ccccc1CN1CCOCC1)N[C@H]1COc2ccccc2C1 48148773 XJRGUYYYPGJSDZ-GOSISDBHSA-N 367.449 2.644 0 50 FFAA C[C@H](NC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cnn(C)c1 287340849 FISWYTUAPUTUGH-JEDBISTDSA-N 354.454 2.695 0 50 FFAA CCCNC(=O)OC[C@@H]1CCCCN1Cc1cnc2c(c1)c(C)nn2C 287456678 QZEVONILJZQVRG-INIZCTEOSA-N 359.474 2.767 0 50 FFAA CCCOc1ccc(C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 17073466 XTJRHMCKRXWCSI-UHFFFAOYSA-N 355.419 2.858 0 50 FFAA OCc1cc2n(n1)CCCN(Cc1cc(CN3CCCCC3)cs1)C2 221426303 RGTLEGHKRQIVPX-UHFFFAOYSA-N 360.527 2.829 0 50 FFAA COc1cccc2c(C)cc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)nc12 82134691 HMSJUFHETUNMJV-OAHLLOKOSA-N 355.438 2.585 0 50 FFAA CCc1nccn1CCC(=O)N[C@@H](C)c1cnn(-c2ccccc2OC)c1 223502292 PNCQSQSPCUBLOZ-HNNXBMFYSA-N 367.453 2.907 0 50 FFAA Cc1cccc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)n1 82120728 TUBBUEDVEISHKY-UHFFFAOYSA-N 356.451 2.728 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccc(C(C)C)n(C)c2=O)CC1 92046677 BQQBOFWFMBENCS-UHFFFAOYSA-N 368.481 2.565 0 50 FFAA O=C(c1cccc(Cn2cccn2)c1)N1CCN(CCc2ccccc2)CC1 92064952 FVWGCKPNEHNOTL-UHFFFAOYSA-N 374.488 2.932 0 50 FFAA COC[C@]1(O)CCN(C(=O)c2c[nH]nc2-c2cccc(C)c2)CC1(C)C 91256009 CCPSCHBDSIRFBK-HXUWFJFHSA-N 357.454 2.635 0 50 FFAA NCCc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 91619874 VLWAQEFDMSBBHJ-IFMALSPDSA-N 363.505 2.924 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)[C@H](c1cccnc1)N1CCCC1 95373885 NWKOHXBXVFNTLB-SFHVURJKSA-N 369.469 2.966 0 50 FFAA Cc1cccn(CC(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)c1=O 181519071 VGLLXEFNUMNFQI-HNNXBMFYSA-N 350.422 2.528 0 50 FFAA CCCCN1CCC(CNC(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 426668386 OOLFWBCINGSBCW-UHFFFAOYSA-N 372.513 2.557 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CC(OCc2ccccc2F)C1 95391507 RRTMMSVBUVQAMT-UHFFFAOYSA-N 364.380 2.719 0 50 FFAA O=C1C[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)C1CC1 180684857 FPSRQMVUSCRORK-QFIPXVFZSA-N 366.461 2.563 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc3ccccc3[nH]1)CC2 95520752 FGQVVUJSGCLQJJ-UHFFFAOYSA-N 363.465 2.901 0 50 FFAA Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)NCC2(C)COC2)c1 95360097 PEIOTFOEEWKISI-UHFFFAOYSA-N 374.462 2.562 0 50 FFAA O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1C[C@@H]2CCN[C@@H]2C1 244673951 HYSFLMDAKZRNHM-FCHUYYIVSA-N 361.489 2.679 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N2CCCc3c(OC(F)F)cccc32)c1C 297682409 GUIKLITWDIYWNZ-UHFFFAOYSA-N 363.364 2.592 0 50 FFAA CN(CCOc1ccccc1C(=O)O)[C@@H]1CCN(c2ccccc2)C1=O 183921701 RLPZWXXVYCJTSH-QGZVFWFLSA-N 354.406 2.501 0 50 FFAA COC(=O)c1cn([C@H]2CCCc3c2[nH]c2ccccc32)cc2c(=O)[nH]nc1-2 263587629 JHKNIRAUZSQJRQ-INIZCTEOSA-N 362.389 2.870 0 50 FFAA COC[C@H](Cc1ccccc1)NCc1cccc(N2CCCS2(=O)=O)c1 185297601 SXBDJYOCAANOGT-IBGZPJMESA-N 374.506 2.574 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 299786402 XCRQLAAHEGGEQV-OAHLLOKOSA-N 373.428 2.863 0 50 FFAA Cc1cccc2[nH]c(CCNC(=O)[C@H](c3cccnc3)N3CCCC3)nc12 299790848 YGMFPNFRATVXKL-FQEVSTJZSA-N 363.465 2.762 0 50 FFAA COCc1cc(CNC(=O)Nc2cc(C)nn2Cc2cccc(C)c2)n[nH]1 299788638 YXCKQCOCVXBPEC-UHFFFAOYSA-N 368.441 2.739 0 50 FFAA C[C@H]1C(=O)NCCN1C(=O)NCc1cccc(Oc2cccc(F)c2)c1 1875348111 XRPFECWCRSOWNI-ZDUSSCGKSA-N 357.385 2.648 0 50 FFAA Cc1ccc(N(CC2CC2)C(=O)c2cn(C[C@@H]3CCCN3)nn2)cc1F 877089428 PMTKHGIKXWRWCB-HNNXBMFYSA-N 357.433 2.534 0 50 FFAA CC(C)n1cncc1C(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC1(C)C)C2 1875407212 VEDLMECQSBQUOW-FZKCQIBNSA-N 358.486 2.619 0 50 FFAA c1cc(CN(Cc2nc3c(s2)CNCC3)[C@H]2CC23CCNCC3)cs1 952895028 QVCREEYRIGOYCQ-KRWDZBQOSA-N 374.579 2.995 0 50 FFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 952969049 QLMVRDWASSUHPF-QGZVFWFLSA-N 358.463 2.500 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(Cc3nc4ccccc4o3)C2)ccn1 886068684 IOHVIOHZCAODHW-QGZVFWFLSA-N 366.421 2.512 0 50 FFAA CC[C@@H]1CN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)CC[C@]1(C)O 1565516275 QKKXHZXJSIISSL-LVFCKTKVSA-N 372.513 2.583 0 50 FFAA CN(C)C(=O)c1ccc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)[nH]1 275548869 FABAFUWLQOQDND-SFHVURJKSA-N 372.538 2.922 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cnc(C2CC2)nc1O 1506423789 WTCFDBBIZVVHFQ-CQSZACIVSA-N 352.438 2.658 0 50 FFAA COc1ccc(OC)c([C@H](C(=O)O)N(C)Cc2cnc3ccccn23)c1 1506419833 YDRLDVVFTNECLC-GOSISDBHSA-N 355.394 2.609 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccccc4C)CC3)C[C@H]2O)on1 1529118981 ADDVJLRNUCONJF-DYESRHJHSA-N 355.482 2.796 0 50 FFAA COc1c(F)cccc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704325344 MBTVJFUKAYYSES-GHTZIAJQSA-N 373.424 2.715 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3n[nH]c4c3CCCC4)C1)CC2 1704336714 LIOCNBXGEMBMDW-HXUWFJFHSA-N 351.454 2.507 0 50 FFAA CC(C)OCC(=O)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1 1772706158 VLFRMLBYDNNATP-UHFFFAOYSA-N 354.450 2.939 0 50 FFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1ccc[n+]([O-])c1 11937110 UJNRQWLPMYKYHA-UHFFFAOYSA-N 357.316 2.716 0 50 FFAA CC(=O)N1CCC(N(CCc2ccccc2)C[C@H]2CCCN(C)C2)CC1 12430302 YOKWKTJEKLYASM-NRFANRHFSA-N 357.542 2.884 0 50 FFAA COCCN(Cc1nc(-c2ccc(OC)c(OC)c2OC)no1)C(C)C 14961089 CDXQAWWXHKLCKD-UHFFFAOYSA-N 365.430 2.619 0 50 FFAA O[C@@H](COc1ccccc1CNCCc1ccncc1)CN1CCCCC1 19225868 MRUMGGJVKCRLGG-OAQYLSRUSA-N 369.509 2.640 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2CCC(n3cc([C@H](C)O)nn3)CC2)cc1 19885603 ZSJYCYOHMITTQC-HNNXBMFYSA-N 366.469 2.867 0 50 FFAA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)c(O)c1 2874024 HWXIWSBMLPMOAZ-SFHVURJKSA-N 368.389 2.729 0 50 FFAA CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 5633700 NUYLMLADAAVZRV-UHFFFAOYSA-N 374.462 2.522 0 50 FFAA Cn1c([C@H]2CCCN(C(=O)c3ccn4ncnc4c3)C2)nc2ccccc21 1857674042 YORQKGYCILKWNN-HNNXBMFYSA-N 360.421 2.636 0 50 FFAA COc1ccc(C)cc1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210315326 CHKPXXJOQVHOSL-WBVHZDCISA-N 369.417 2.723 0 50 FFAA O=C(N1CCCC1)N1CCC[C@H](NCc2cnc3ccc(Cl)cn23)C1 329181819 OHWUKQJNYLAKBJ-HNNXBMFYSA-N 361.877 2.758 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)Nc1cn(C)cc(Br)c1=O 330793510 VJMWGZMGEJLWDQ-UHFFFAOYSA-N 367.247 2.740 0 50 FFAA Cc1ccnc2sc(C(=O)N3CCN(C)[C@H](c4nccn4C)C3)c(C)c12 333016979 HEMPGSQOSYDCLI-AWEZNQCLSA-N 369.494 2.776 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 128620059 LPSFJSFQQZJLSM-CYBMUJFWSA-N 367.327 2.970 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CCSC2)(c2ccccc2)CC1 847999143 QWMTXNHSURQRLT-INIZCTEOSA-N 358.507 2.602 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 252078507 DVJZMQNTDHVJBH-PMACEKPBSA-N 366.509 2.959 0 50 FFAA Cc1cccc(-c2ccc(CNC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)c1 151753076 FUPMVALOMRMPTI-LJQANCHMSA-N 364.449 2.581 0 50 FFAA CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCc2[nH]ncc2C1 154181091 QKGWLAWLIAGMMX-GOSISDBHSA-N 355.486 2.560 0 50 FFAA S=c1n(CN2CCOCC2)nc(-c2ccncc2)n1Cc1ccccc1 19594792 JGLGQWXWDZGAOR-UHFFFAOYSA-N 367.478 2.814 0 50 FFAA NCC1[C@H]2CC[C@H]1CN(Cc1ccccc1I)C2 2325760539 DRSMZZBJFYNLIR-RYUDHWBXSA-N 356.251 2.708 0 50 FFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC2(CC1)CS(=O)(=O)C2 2325767926 QHBBFSOMZDNFOL-IKGGRYGDSA-N 371.543 2.501 0 50 FFAA CCCCc1ccc([C@H](NC(=O)[C@@H](O)C2(O)CCOCC2)C(C)C)cc1 2325779083 FSDLLUDFTWEUPB-RTBURBONSA-N 363.498 2.745 0 50 FFAA Cc1ccc(F)c([C@@H]2CCCN2C(=O)CSc2nncn2C)c1F 2325784331 VAPBQUZQMDRNMI-LBPRGKRZSA-N 352.410 2.858 0 50 FFAA COCCOc1cnc(-c2noc(-c3ccc4c(c3)CCC[C@H]4N)n2)cn1 2325821915 MBJQSQDXAXXVCC-OAHLLOKOSA-N 367.409 2.555 0 50 FFAA CC1(C)[C@H]2CC=C(CCOC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)[C@@H]1C2 2325865820 RGMPVVDDICIHRB-JYJNAYRXSA-N 355.500 2.584 0 50 FFAA CCOC(=O)CCc1c(C(=O)OCC)[nH]c(C)c1CC(=O)OC(C)(C)C 641778 SAEAXGAOYDBMEX-UHFFFAOYSA-N 367.442 2.880 0 50 FFAA COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 821147 QUYRLWVBALFAKK-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)c3cnc(-c4ccccc4)n3C)C2)n[nH]1 2356148073 GDKMRBZWUKMYNW-HNNXBMFYSA-N 350.426 2.533 0 50 FFAA COC(=O)CCCN1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356167774 BIBRNQDVSBQCTC-OAQYLSRUSA-N 358.482 2.639 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO 104381615 HSXCIAHDNMAHKO-HXUWFJFHSA-N 368.477 2.793 0 50 FFAA Cn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cccnc1 10231011 BZLLCVNHGJKCQY-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA COc1ccccc1N1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 55058967 SLGUKCDWLUZCBN-UHFFFAOYSA-N 373.884 2.787 0 50 FFAA Cc1nccn1CC[C@@H](NC(=O)CCN1CCCCO1)c1ccccc1 55413425 SBJHQQMVYZPNQV-LJQANCHMSA-N 356.470 2.857 0 50 FFAA CCNc1ncc(CN2CCC(N3CCc4ccccc4C3)CC2)cn1 67982755 HMKQAOFGTTXKKT-UHFFFAOYSA-N 351.498 2.931 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C[C@@H]2CCCO2)CCO3)n1 67884699 YEKUFBVFZUNBAD-KRWDZBQOSA-N 355.438 2.839 0 50 FFAA Cn1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(F)(F)F 21806876 LAJZPZWFYHYXPP-UHFFFAOYSA-N 356.323 2.540 0 50 FFAA COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 20707276 YOIXFQDUIKUWPZ-GOSISDBHSA-N 356.466 2.566 0 50 FFAA COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@@H](C)O)co3)cc2c1 67742083 BNTZQDOMLUQSOP-CYBMUJFWSA-N 370.405 2.868 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 22932908 RSLPVPHJJMSIAQ-OAQYLSRUSA-N 370.468 2.829 0 50 FFAA COc1cc2c(cc1[C@@H]1CC(=O)Nc3c1c(C1CC1)nn3C)OCCCO2 65374507 YHWKMVIKNSEDBM-ZDUSSCGKSA-N 369.421 2.942 0 50 FFAA Cn1c(CN2C[C@H](COc3ccccc3)OC(C)(C)C2)nnc1C1CC1 284431996 AUHKKNQZBHESLB-QGZVFWFLSA-N 356.470 2.751 0 50 FFAA CC(C)(C)c1nnc(NC(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)s1 65405332 MVEWVHGUVHRAGR-LLVKDONJSA-N 365.503 2.748 0 50 FFAA O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ccc3nncn3n2)C1 32101472 MXLCNPRZGUSQQL-LBPRGKRZSA-N 356.817 2.633 0 50 FFAA CC(C)n1cc([C@@]2(O)CCCN(Cc3cc(-c4ccco4)on3)C2)nn1 284720705 UVQIRNSJWRRKNQ-GOSISDBHSA-N 357.414 2.591 0 50 FFAA Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CC(C)(C)Oc2ccccc21 153002479 OHFPXMNCENURPZ-GOSISDBHSA-N 370.497 2.957 0 50 FFAA CC1=NN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)[C@](O)(C(F)(F)F)C1 6394296 VCTPHYFMWLLDFM-BDJLRTHQSA-N 356.344 2.802 0 50 FFAA Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)n1 72151133 PKEPXXYBWCYKTL-HXUWFJFHSA-N 367.493 2.758 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(CN2CCCC2)c1 363613248 KOQCPLZXPBTYJN-IBGZPJMESA-N 354.454 2.910 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)C[C@@H]3C=CCC3)CC2)c(C)n1 72481226 LMKJMQGRNALTNM-MRXNPFEDSA-N 358.438 2.879 0 50 FFAA CC(C)c1nc(C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cs1 155279523 JIULWSXYUPYKND-MSOLQXFVSA-N 371.506 2.992 0 50 FFAA Cc1nccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)n1 72420398 RWFCTDNUYIMTGB-RBUKOAKNSA-N 350.466 2.845 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)c(C)n1 328648823 UTCHDCLQQZKOLQ-INIZCTEOSA-N 368.485 2.661 0 50 FFAA CCN1CCN(C2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)C1=O 371018719 MUCKOSDGVCJLFC-UHFFFAOYSA-N 354.454 2.838 0 50 FFAA CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3nc(C)nc(C)c3C)C2)o1 378170495 XBKPZMJJHVPKPU-MRXNPFEDSA-N 357.458 2.580 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O)CO2 262968395 OMINAGBWVBGVDQ-RHSMWYFYSA-N 369.417 2.748 0 50 FFAA CN(Cc1ccc(Br)s1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239672549 BTVSBWMTLHAMRB-VXGBXAGGSA-N 369.284 2.851 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc4c(cc3OC)CCC4)CC2)OC1=O 77287962 JVFNNUNOXUYLCQ-UHFFFAOYSA-N 358.438 2.631 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(c2nccs2)CC1 333496354 BZGWCXPBGHVUHJ-ZDUSSCGKSA-N 360.487 2.721 0 50 FFAA COc1ccc(OC2CCN(C(=O)CN(C)Cc3ccncc3)CC2)cc1 77535532 SBKMDHCZPFQJNS-UHFFFAOYSA-N 369.465 2.592 0 50 FFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237340578 VVLWDJPRKOTYLH-FZMZJTMJSA-N 359.344 2.586 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl 237504753 IRDAJTAXLNNSLZ-SCZZXKLOSA-N 356.797 2.859 0 50 FFAA CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2c[nH]cn2)[C@H]1c1ccccc1 36358452 QLGHLIGTIUWFMF-WOJBJXKFSA-N 374.444 2.679 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCC[C@H](C)N3CCN(C)CC3)c2c1 77523807 ZAASTMRZZFDFEC-KRWDZBQOSA-N 368.525 2.861 0 50 FFAA Cc1[nH]cnc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72426173 PTWNYCXZPPFAEW-AZUAARDMSA-N 352.482 2.774 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(c3cnccn3)C2)cc1OC 72468125 VTWVOYVTZIKCHW-KRWDZBQOSA-N 356.470 2.637 0 50 FFAA COc1ccc(Cl)cc1C(=O)Nn1c(S)nc2ccccc2c1=O 17074481 GKGSTKADUVZNNO-UHFFFAOYSA-N 361.810 2.731 0 50 FFAA Cc1nccn1C[C@H]1CCCN(C(=O)c2c[nH]c3c(F)cccc3c2=O)C1 77487895 ZADWLNDQLPBQBX-CQSZACIVSA-N 368.412 2.725 0 50 FFAA CN(C)Cc1nnc(C2CCN(C(=O)c3ccsc3)CC2)n1C1CC1 82133740 USLGFMCMGVSCJJ-UHFFFAOYSA-N 359.499 2.756 0 50 FFAA CCCc1cc(C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)no1 82134174 OKYZIUYEWLMVRN-UHFFFAOYSA-N 351.410 2.584 0 50 FFAA CC(C)c1nnc2n1C[C@H](N[C@@H]1CCN(Cc3ccccn3)C[C@H]1C)CC2 245738611 LLVXCFXKRBBXIU-BHIYHBOVSA-N 368.529 2.612 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)NCc3nc(C)c4c(n3)CCCC4)C2)n1 426701355 DXEDDTPWJWQOHZ-INIZCTEOSA-N 368.485 2.634 0 50 FFAA Cc1cc(C)c(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)c(=O)[nH]1 82137534 ABKZGADGRXILJH-ZDUSSCGKSA-N 373.840 2.523 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NCC2(CO)CCOCC2)c1 223854284 QYHHJEXMZQJVFY-UHFFFAOYSA-N 355.434 2.881 0 50 FFAA COCCN1CC[C@@H](CNC(=O)c2cccc(-c3ccc(O)cc3F)c2)C1 426618622 ZNCBXOOFMWFYCS-HNNXBMFYSA-N 372.440 2.896 0 50 FFAA O=C(CC1CCCC1)N1CCCC[C@H](NS(=O)(=O)c2cccs2)C1 82097931 XVEWUYKYFGMRID-HNNXBMFYSA-N 370.540 2.988 0 50 FFAA Cc1nc2ccc(C(=O)NCCCn3c(C)cccc3=O)cc2nc1C 95376889 CQQZJVHSTPZFBN-UHFFFAOYSA-N 350.422 2.537 0 50 FFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1c[nH]nc1C1CCCCC1 91325663 QVWGLEIYASDDAW-OAHLLOKOSA-N 368.485 2.894 0 50 FFAA COc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 91808585 UVJSMAZHLOFAMQ-WMLDXEAASA-N 357.454 2.950 0 50 FFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 91350803 NCFJKGWKIYLQIS-IBGZPJMESA-N 360.385 2.774 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCc3nc(C)c4c(n3)CCC4)[nH]n2)o1 92021743 HMNXWXNIKKHRFT-UHFFFAOYSA-N 351.410 2.538 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1 92037347 GKNAMJJTKVTPHM-GOSISDBHSA-N 367.449 2.673 0 50 FFAA CC(C)[C@@H]1CN(CCC(=O)NCc2ccc(Cl)cc2)C[C@H]1C(=O)O 91643650 XURSNEQBWNKXAJ-JKSUJKDBSA-N 352.862 2.635 0 50 FFAA CC(C)c1nnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)s1 295422713 UGXHYGZLKUZDSE-WMLDXEAASA-N 362.547 2.910 0 50 FFAA CCCn1nc(C)c(CNC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c1C 91933083 BRUWKDJYPIVQDS-OAHLLOKOSA-N 358.417 2.791 0 50 FFAA Cc1nc(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)nc2c1CCCC2 95354357 AMWSHIADYPHEES-INIZCTEOSA-N 368.481 2.785 0 50 FFAA C[C@H](O)[C@H](C(=O)O)n1cnc(-c2ccccc2)c1-c1ccc(N(C)C)nc1 92028219 OJOIYXVNKBTROH-SCLBCKFNSA-N 366.421 2.685 0 50 FFAA CCn1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2C)n1 92097481 YLQONTHENPQULN-ZDUSSCGKSA-N 353.426 2.897 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CN(C)c3ccccc3)C[C@H]2N(C)C)cc1 95509186 HLWJKNWDWPCCFN-LEWJYISDSA-N 367.493 2.688 0 50 FFAA Cc1cccc2cc(C(=O)N3CCN(CC(C)C)[C@@H](CCO)C3)n(C)c12 95505875 VVYKYWDAQLKPCC-SFHVURJKSA-N 357.498 2.652 0 50 FFAA CC[C@@H](C(=O)NC(C)(C)C)N1CCn2nc(Cc3ccccc3)cc2C1 97499557 ZQTCJOWUVQTIBH-IBGZPJMESA-N 354.498 2.983 0 50 FFAA CC(C)CN(Cc1ccco1)C(=O)[C@H](c1cccnc1)N1CCOCC1 97532863 VEDMPARXCVDDCY-IBGZPJMESA-N 357.454 2.733 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(Cc2cc(=O)n3nc(C)cc3[nH]2)C1 95356056 CRATWQDWKJMLPS-INIZCTEOSA-N 368.485 2.707 0 50 FFAA Cc1n[nH]c([C@H]2CCCN(C(=O)Nc3ccc(-c4nnc(C)o4)cc3)C2)n1 95528922 XWJRCOUCYVIEDH-AWEZNQCLSA-N 367.413 2.883 0 50 FFAA CN(C)C(=O)CCc1ccc(NC(=O)NCc2ccc(CO)cc2)cc1 97346817 MZRMVPGHPJUDDI-UHFFFAOYSA-N 355.438 2.521 0 50 FFAA CC(=O)N[C@@H]1CN(Cc2ccccc2OCCn2ccnc2)C[C@H]1C(C)C 95528682 SSECZVIEGIFQNK-VQTJNVASSA-N 370.497 2.555 0 50 FFAA Cc1nn(C(C)C)c(C)c1CNC(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 244723534 MDJGQIPZRDPSSQ-LJQANCHMSA-N 372.469 2.729 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CN2CC[C@@H]2c2ccc(F)cc2)cc1 252483706 FHDLHXLTPOSOPB-LJQANCHMSA-N 355.413 2.847 0 50 FFAA O=C(NCc1cccnc1)c1cc2n(n1)C[C@H](c1ccc(F)cc1)OC2 263616439 IQQGCOKTTRPKOU-GOSISDBHSA-N 352.369 2.619 0 50 FFAA CN(C)c1ccc(CC(=O)NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1 299777740 FBDREZCOXLANEZ-MYZSEDEFSA-N 356.510 2.989 0 50 FFAA Cc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2ccco2)n1 299756715 IBQNBTZORJFTIB-UHFFFAOYSA-N 374.404 2.598 0 50 FFAA CC[C@H](C)[C@H](N)C(=O)N1CCC(Cn2cc(-c3ccc(F)cc3)nn2)CC1 48477916 RAVSYWSWPCQPEP-LIRRHRJNSA-N 373.476 2.696 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)n1 299797764 SNVKXDLKMBNYLA-UHFFFAOYSA-N 357.458 2.825 0 50 FFAA COc1cccc(SCC(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c1 824787676 CQABHEDJQRPMLB-GOSISDBHSA-N 374.437 2.626 0 50 FFAA Cc1nc(-c2cccc(C(=O)NCCN3CCCC3=O)c2)c2ccccc2n1 584887456 VRLFKKKZRCRILU-UHFFFAOYSA-N 374.444 2.957 0 50 FFAA COc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@H](CC(=O)O)C1 269054383 WVYHGCOQZUIJKM-CYBMUJFWSA-N 361.419 2.739 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc(C(C)(C)O)c3)nn(C)c21 1875299982 FSVUBCBZEPMNOA-OLZOCXBDSA-N 357.454 2.600 0 50 FFAA Cn1cc2c(n1)[C@@H](O)CC1(CCN(C(=O)C3CC4(CCCCC4)C3)CC1)O2 1875394615 PJKHOKOSJANRBZ-INIZCTEOSA-N 373.497 2.958 0 50 FFAA CS(=O)(=O)Nc1cccc(-c2ccc3c(O)nc(C(=O)O)cc3c2)c1 1875362216 WENYBQMJUKVIAD-UHFFFAOYSA-N 358.375 2.677 0 50 FFAA O=C(O)c1csc(C[C@H]2CCCN(C(=O)c3cc4cccnc4[nH]3)C2)n1 1875300700 NXPHRDDGKFXWGK-LLVKDONJSA-N 370.434 2.813 0 50 FFAA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCc1nc2cccnc2[nH]1 1875306267 YVDCFUIIEXZBTO-QDXKXIGTSA-N 371.466 2.598 0 50 FFAA C/C(=C\c1cccc(C(F)(F)F)c1)CN1C[C@@H](O)[C@H](CC(=O)N(C)C)C1 1875398556 VUSZUDDFQYEFIE-FJBHAAIHSA-N 370.415 2.880 0 50 FFAA O=C(c1ccncc1)N1CCC(NCc2ccccc2-n2ccnc2)CC1 952966412 WAPCSGQPWRKTOQ-UHFFFAOYSA-N 361.449 2.662 0 50 FFAA O=C1COc2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2N1 888090692 OEKMMMAZRDNPQL-UHFFFAOYSA-N 352.371 2.845 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C2)ccn1 886094751 DCRSFZJLQAGEEX-QGZVFWFLSA-N 354.454 2.642 0 50 FFAA COc1cc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](OC)C2)ccc1Cl 888076875 QICGYDHRBIAACR-IMJJTQAJSA-N 352.862 2.720 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(NC(C)C)nc2)C1 888103314 VCXFMDPHLVQUQP-CVEARBPZSA-N 357.458 2.844 0 50 FFAA CC(=O)N[C@@H]1CC[C@H](Cc2nnc(N[C@@H]3CCc4ccccc4C3)o2)C1 899248188 USJCUBLTMPXZHN-BMGDILEWSA-N 354.454 2.886 0 50 FFAA O=C(NCCCc1ccco1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565505879 CIZKMBGKZGFCHX-SJORKVTESA-N 372.421 2.501 0 50 FFAA CC1(Cn2cc(C(=O)N3CCc4c3cccc4C(F)(F)F)nn2)COC1 185786345 AGNOEICSYUETLM-UHFFFAOYSA-N 366.343 2.536 0 50 FFAA Clc1c(Br)cnc2[nH]nc(I)c12 91301504 PJPZPJYPWWPXNW-UHFFFAOYSA-N 358.364 2.978 0 50 FFAA in-vitro C[C@H](CC(=O)O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 274959832 BIDHVIKLOUSANW-ZJUUUORDSA-N 365.373 2.615 0 50 FFAA Cn1ccnc(N2CCC[C@H](NC3CC(c4ccc(Cl)cc4)C3)C2)c1=O 275359261 AVODIVQVYCOWHH-NXYGQSRBSA-N 372.900 2.938 0 50 FFAA NC(=O)c1ccn(-c2ccccc2NC(=O)c2coc(C3CCCC3)n2)n1 170597869 YSDDXLFBODFJJK-UHFFFAOYSA-N 365.393 2.869 0 50 FFAA CCCCn1nc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 1506403941 XSYVPQUXCPTPDI-OAHLLOKOSA-N 370.453 2.992 0 50 FFAA O=C1CCN(C[C@H]2CCOC2)CCN1Cc1ccc(C(F)(F)F)c(F)c1 1506427409 XTPSCLVZUBPSHV-CQSZACIVSA-N 374.378 2.915 0 50 FFAA Nc1nc(CCCNCc2cnc(NCc3ccccc3)nc2)cs1 1506396863 KDWVFFGIDNCJNC-UHFFFAOYSA-N 354.483 2.850 0 50 FFAA CCCc1ccc(CN2CCCN(C(=O)CCn3ccc(C)n3)CC2)o1 1529111934 BKIDOWYBCGKFON-UHFFFAOYSA-N 358.486 2.862 0 50 FFAA Cn1cc(C(=O)N2CCCc3cc(Cl)cc(Br)c32)nn1 331915489 BRBBIFFPJWMTEK-UHFFFAOYSA-N 355.623 2.824 0 50 FFAA CC(C)n1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704342088 GAWCRNRTDGTNAW-OXQOHEQNSA-N 364.449 2.688 0 50 FFAA CC(=O)c1cnc(N2CCN([C@H]3CCc4ccccc4C3)CC2)nc1C 1704306489 NMADYCOPJRENBA-IBGZPJMESA-N 350.466 2.667 0 50 FFAA CCCN1C[C@H]2CN(Cc3ccc(F)cc3F)C[C@]2(CCC(=O)O)C1 1772705662 VCRWDKFUMJJGPL-KXBFYZLASA-N 352.425 2.973 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1C[C@H]3C[C@@H](O)C[C@H]3C1)O2 1775982770 DQWZEJRZIAWVKY-DXEZIKHYSA-N 359.466 2.630 0 50 FFAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@H]1CO 11817938 MXUNVJSFPPPXPM-LBPRGKRZSA-N 352.337 2.519 0 50 FFAA O=C(N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)C1CCCCC1 12050315 WLGZEHSGIJOWDA-GOSISDBHSA-N 372.513 2.759 0 50 FFAA O=C(CCC1CCN(Cc2nc3ccccc3[nH]2)CC1)NC[C@H]1CCCO1 12445009 WYISJUKYUJYXGV-QGZVFWFLSA-N 370.497 2.850 0 50 FFAA Cc1cc(NCCN2CCOCC2)n2ncc(-c3ccc(F)cc3)c2n1 13623929 MMNLKGVTGHSGRK-UHFFFAOYSA-N 355.417 2.588 0 50 FFAA O=C1CC[C@H](CCNCc2ccccc2)N1C[C@@H]1COc2ccccc2O1 14992313 OAQXEIVHZMHDPV-RTBURBONSA-N 366.461 2.997 0 50 FFAA COC(=O)CCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1 15062939 GPZBIMOZOXFQJX-SFHVURJKSA-N 355.434 2.953 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc1 19721017 IEJOVDQREDMSDG-QFIPXVFZSA-N 359.558 2.736 0 50 FFAA CCN(CC)C(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(Cl)c1 4866873 CHWBBZSEOFDONZ-OAHLLOKOSA-N 351.834 2.845 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1 6741076 KVZDBJRDXYZGOE-NTFDOXNWSA-N 370.493 2.776 0 50 FFAA O=C1CCO[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2N1Cc1ccccc1 1857729752 GEWDZFREJAVHJU-PMACEKPBSA-N 374.444 2.636 0 50 FFAA CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)nc1 216194037 GBDOYXIDYJAUQB-ICSRJNTNSA-N 364.493 2.932 0 50 FFAA c1cc2c(cc1O[C@@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]13)OCO2 14690464 ZZMNWJVJUKMZJY-LHHVKLHASA-N 370.357 2.883 0 50 FFAA endogenous,in-man O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1ccccc1Cl 262371798 FNPMVPMQVYSLNX-UGFHNGPFSA-N 357.859 2.888 0 50 FFAA CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc4nc[nH]c4n3)c2)n1 378368333 GVZNPLMIMUIQHA-UHFFFAOYSA-N 360.377 2.935 0 50 FFAA CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3CCc4cc(C)ccc43)cc21 265166765 AKAKUFFIRKBGDI-IBGZPJMESA-N 370.474 2.870 0 50 FFAA O=C(OCc1nnc2n1CCOC2)c1ccccc1Oc1ccccc1 810816224 FDOQDEOTNHHWIG-UHFFFAOYSA-N 351.362 2.958 0 50 FFAA CC[C@H]1CN(C(=O)c2cc3cc(Br)cnc3n2C)CCO1 929868678 SQEJAAYOYDLWST-LBPRGKRZSA-N 352.232 2.587 0 50 FFAA Cc1cnn(-c2ccc(NC(=O)c3cc([C@@H]4CCCN4)[nH]n3)cc2F)c1 2325797732 PBUBHMNWKCTOJH-AWEZNQCLSA-N 354.389 2.720 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 178894 NNVAEGDGLIJWFI-JKSUJKDBSA-N 350.846 2.880 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356156298 VBXJDORKHCRVDG-HXUWFJFHSA-N 352.438 2.516 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCc2nc(C3CC3)nn2CC1 2356166434 XLZONVBBJGRULB-UHFFFAOYSA-N 363.421 2.817 0 50 FFAA O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680592 MULBMAHCHQXCLH-UHFFFAOYSA-N 371.871 2.833 0 50 FFAA COc1cccc(CN(C(=O)c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 6810881 IWJANRSVLVMZOO-KRWDZBQOSA-N 359.447 2.525 0 50 FFAA O[C@H](CN1CCC(c2nnc3ccccn23)CC1)c1ccc(F)c(F)c1 112337726 NJMSFLSJBJDPED-QGZVFWFLSA-N 358.392 2.921 0 50 FFAA CC(C)=CCN1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO 104430347 ZIBYUMDGSDVFNB-LJQANCHMSA-N 354.498 2.707 0 50 FFAA Cn1nc(C(=O)N(Cc2cccnc2)[C@@H]2CCCc3ccccc32)ccc1=O 20778709 RKYZCAVRGJVTKK-HXUWFJFHSA-N 374.444 2.895 0 50 FFAA CC(C)N(CC(=O)OC(C)(C)C)C(=O)Cn1ccc2ccccc2c1=O 468413066 YGYFLMMBIIONIC-UHFFFAOYSA-N 358.438 2.580 0 50 FFAA Cc1ccc(N2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)nn1 115372124 QOQPGJZYRMYXCX-SFHVURJKSA-N 350.466 2.944 0 50 FFAA c1ccc(Cn2cccn2)c(CN2CCC(N3CCSCC3)CC2)c1 65404524 WZAJLGAWIKRDEE-UHFFFAOYSA-N 356.539 2.945 0 50 FFAA CC(C)CN1CCC(NC2CCN(c3ccc(Cl)nn3)CC2)CC1 67908052 SFWJVPYOVCVJKJ-UHFFFAOYSA-N 351.926 2.809 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@H](C)c3ccncc3)cnn2c1 67786787 TVVNIFOWSJHKOD-OAHLLOKOSA-N 366.469 2.799 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)[nH]n2)c1 67818854 RSZIVUJJIYWBCJ-AWEZNQCLSA-N 351.410 2.828 0 50 FFAA COc1ccccc1[C@@H]1CCN(C(=O)NCCNC(=O)c2ccccc2)C1 122632309 SFPDWZJQQDQFCE-QGZVFWFLSA-N 367.449 2.624 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(C)Cc1cc(-c2ccccc2)[nH]n1 67689198 QOWFJXJYTHXNAN-UHFFFAOYSA-N 350.422 2.664 0 50 FFAA COc1ccc2nc(CCNC(=O)C3(N4CCCC4)CCCC3)[nH]c2c1 67790473 POYXQBBZLUKYKE-UHFFFAOYSA-N 356.470 2.639 0 50 FFAA Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2c(C)n[nH]c2C)c1C 2804321 PHANCZIRKJSILP-UHFFFAOYSA-N 373.482 2.997 0 50 FFAA C[C@@H](O)c1cnc(CN(C)C2CCN(CCc3ccccn3)CC2)s1 366019553 GEOLMZMLNUAKQB-OAHLLOKOSA-N 360.527 2.730 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCN(CC2CCOCC2)CC1 173444988 BEUCZUOHXMPOAE-UHFFFAOYSA-N 371.525 2.861 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cccc(C)n3)C[C@H]2NC(=O)C2CC2)cc1 77284928 DSDCIVMORGJXOU-AZUAARDMSA-N 363.461 2.833 0 50 FFAA C[C@@H](NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CCOCC1 125860265 MJUOFLBXAQJLFM-CYBMUJFWSA-N 374.441 2.601 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)nc(-c2cccnc2)n1 284574364 NLAWQTAHMSKEAK-MBOZVWFJSA-N 354.454 2.603 0 50 FFAA CCn1ncc(-n2c(S)nnc2Cn2nc(C(F)F)cc2C)c1C 8339766 XWVZRFPALADMBI-UHFFFAOYSA-N 353.402 2.572 0 50 FFAA Cc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)cc1Cl 35802744 JGLSVMPZPVRRCA-UHFFFAOYSA-N 365.886 2.863 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCCN(CCCc2ccccc2)CC1 77386724 CSQNSYKXRGWKQW-UHFFFAOYSA-N 371.525 2.556 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71524275 DXLPNPVVRJHDQK-IOMROCGXSA-N 362.477 2.990 0 50 FFAA COC(C)(C)C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72151858 PMLNDEWBOYIIEL-KZNAEPCWSA-N 364.436 2.778 0 50 FFAA CCNC(=O)C[C@@H]1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1 284747220 LGZKOQSLZHENCJ-INIZCTEOSA-N 364.515 2.539 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)O)C3)cc2)n1 374119267 JKCLIQDQRAAGOO-JXFKEZNVSA-N 353.422 2.816 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCCn3nc(C)nc3C)cc2)n1 72431475 KQJXBLZLSOZACX-UHFFFAOYSA-N 366.469 2.577 0 50 FFAA COc1cc2c(N3CC[C@](O)(c4cn(C(C)C)nn4)C3)ccnc2cc1F 375255295 VEABTORRAPLYJQ-LJQANCHMSA-N 371.416 2.653 0 50 FFAA CC[C@@](C)(NS(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C)cs1 175028364 OHCIAKUYLOXENH-OAHLLOKOSA-N 356.517 2.908 0 50 FFAA CO[C@H]1C[C@H](NC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C12CCC2 459527526 MRPVOUHSGQCODT-KBPBESRZSA-N 372.874 2.823 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C(c1ccccc1)c1ccccc1)C2 72134699 FQLPDFXJVZCTTG-UHFFFAOYSA-N 359.429 2.795 0 50 FFAA C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1c(F)cccc1Cl 176155532 XLTNVMANJWSTHH-LBPRGKRZSA-N 363.824 2.862 0 50 FFAA Cc1ccc(NC(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)c(C)n1 176782942 ZAIHOBAKKLKFNX-UHFFFAOYSA-N 374.466 2.660 0 50 FFAA Cc1cc(C)nc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)n1 223628376 DGJVKOCXCODLNZ-LJQANCHMSA-N 352.482 2.807 0 50 FFAA CC1(C)CC(=O)N(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)C1 19148902 NEVFRODNAKJEPT-CQSZACIVSA-N 355.438 2.792 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)c(C)c1 48255074 NKBACLGVQLAHRH-MRXNPFEDSA-N 355.486 2.641 0 50 FFAA CCc1nccn1CCNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1 426537385 BSLLUIWJMSAMPP-UHFFFAOYSA-N 355.442 2.702 0 50 FFAA Cc1nc(CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n[nH]1 82107956 XMHFJNHMRXLPGS-UHFFFAOYSA-N 368.268 2.701 0 50 FFAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426398287 ZRKNMZHQWRXTRC-IBGZPJMESA-N 367.449 2.879 0 50 FFAA COCCCCCC(=O)N1CCc2[nH]c(-c3cccc(C(=O)O)c3)nc2C1 222839048 DNAVBNXWCRMOHA-UHFFFAOYSA-N 371.437 2.866 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCN(c3cc(C)nc(C)c3)CC2)N(C)C)c1 95369619 DODGMVKPXOUMSY-OAQYLSRUSA-N 366.509 2.958 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(C)cc2)C1 91650069 DLYOIHFOMUZTLI-SFHVURJKSA-N 368.481 2.738 0 50 FFAA O=C(NCc1ccc2sccc2c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 95372663 CTSOATHDRUCELY-INIZCTEOSA-N 365.458 2.961 0 50 FFAA COc1cccc(N2C[C@@H](C)N(C(=O)NCc3cccs3)CC2=O)c1 426359369 BMYCSJRYKLUXAO-CYBMUJFWSA-N 359.451 2.704 0 50 FFAA Cc1ccc([C@](O)(CC(=O)N[C@H]2c3ccccc3C[C@@H]2O)C(F)(F)F)o1 180424784 PCVUCVDAXNIMQQ-RRQGHBQHSA-N 369.339 2.503 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)n[nH]1 91644809 GRCLMTIWDWKSGL-FQEVSTJZSA-N 370.453 2.646 0 50 FFAA Cc1nnc(SCCCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 97360231 XXLVCVQXWAZZAI-GFCCVEGCSA-N 362.480 2.571 0 50 FFAA CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(C)c(F)c1F)CC2 91935236 RUTKEZRLGJHVJE-UHFFFAOYSA-N 374.435 2.892 0 50 FFAA O=C(NCc1noc([C@H]2CCCO2)n1)Nc1cccc2c1OC(F)(F)O2 97575072 SBHJSHYJKUPYDP-SNVBAGLBSA-N 368.296 2.564 0 50 FFAA CNC(=O)c1ccc(CNc2ncnc3c2Cc2ccccc2OC3)o1 95530814 NKCBPZQXBGXGEA-UHFFFAOYSA-N 350.378 2.525 0 50 FFAA COc1ccc(-c2cn(CCc3nc(C)c4c(n3)CCCC4)nn2)cn1 95388816 WWCAWGURKDVXGC-UHFFFAOYSA-N 350.426 2.569 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cnn([C@@H]3CCCNC3)c2)[C@@H](C)CO1 333283472 MWMVUSIADQCZDH-HQRMLTQVSA-N 368.481 2.718 0 50 FFAA Cc1c[nH]c(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)n1 95503759 WEHTUADOVYPZBU-UHFFFAOYSA-N 358.461 2.884 0 50 FFAA Cc1c(Cl)cccc1-n1nc(CC2CC2)nc1CCN1CCN(C)CC1 96133657 MWPSCDADLVLAMD-UHFFFAOYSA-N 373.932 2.972 0 50 FFAA COc1ccc2c(c1)c(C(=O)NC1(C(N)=O)CCCCCC1)c(C)n2C 244828623 TZRGANVOPNFTMA-UHFFFAOYSA-N 357.454 2.803 0 50 FFAA Cn1ccc2c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cccc21 253407896 KGWIDHNJFKXTQL-FUHWJXTLSA-N 355.482 2.938 0 50 FFAA biogenic CC(C)c1ncncc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 298773350 VGKXXWMIGZPUED-UHFFFAOYSA-N 372.856 2.852 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 299753700 YZZHXJWSWDJHIW-KCQAQPDRSA-N 353.365 2.551 0 50 FFAA CN(CC(=O)N1CCC(Oc2ccncc2)CC1)Cc1ccccc1F 299789018 YDULACWQJOPHPI-UHFFFAOYSA-N 357.429 2.723 0 50 FFAA COc1cccc(-n2cc(CNC(=O)Nc3cc(C4CC4)nn3C)cn2)c1 299795903 MMQSOPDMLICVFF-UHFFFAOYSA-N 366.425 2.814 0 50 FFAA Cc1ccc(C(=O)N2CC(OCc3ccccc3)C2)cc1N1CCNC1=O 299793463 HYTIFCIHBDRTTG-UHFFFAOYSA-N 365.433 2.566 0 50 FFAA Cc1nc(O)nc(C)c1CCc1nc(CC(C)C)nn1CC(F)(F)F 821477629 UGYBLJOHNSHUKN-UHFFFAOYSA-N 357.380 2.937 0 50 FFAA Cc1cc(C)n(Cc2nc(Cc3cccc(Cl)c3)nn2CCCO)n1 670470662 ACJLAGHHAUSLFO-UHFFFAOYSA-N 359.861 2.766 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)c2cccc3c2COCC3)c(F)c1 1875386138 JVDFAMWDHGVHSX-UHFFFAOYSA-N 368.408 2.631 0 50 FFAA Cc1ccc(CCNC(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1O 1875300602 JZRKSIDZJICLKQ-QGZVFWFLSA-N 354.454 2.606 0 50 FFAA Cc1cc(C(C)C)nc(N2CC[C@@](C)(NC(=O)[C@@]34CC[C@@H](C3)OC4)C2)n1 1875405404 FVZZLHOASAZDTK-BEVDRBHNSA-N 358.486 2.563 0 50 FFAA COc1ccc(NC(=O)[C@H](c2ccc(C)cc2)N(C)C)cc1C(=O)N(C)C 952962542 CHSCELGGMCAKGT-IBGZPJMESA-N 369.465 2.947 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c1 1353040296 WOFZCGHCHCZLCV-BXUZGUMPSA-N 372.343 2.747 0 50 FFAA COC(=O)[C@@H](NCc1nc(-c2cccnc2)no1)c1ccc(F)c(C)c1 170082308 JHFOSUVTQGOGKX-INIZCTEOSA-N 356.357 2.583 0 50 FFAA CC[C@H](Oc1ccccc1F)C(=O)NS(=O)(=O)c1sc(C)nc1C 170652334 NVZRMSBOJFPCOG-LBPRGKRZSA-N 372.443 2.562 0 50 FFAA Cc1noc([C@@H](C)NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 170622977 NRRWZQJWAFFPIH-SSDOTTSWSA-N 367.287 2.938 0 50 FFAA O=C(Cc1cn2ccsc2n1)N(Cc1ccccn1)[C@H]1CCCNCC1 186591745 UAZAHQTUWDNAJO-KRWDZBQOSA-N 369.494 2.504 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1nc2ccccc2[nH]1 1073330548 UZFYDKLIRSRNMZ-CVEARBPZSA-N 350.470 2.691 0 50 FFAA CC(C)c1noc2ncc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)cc12 193543806 MXUMWXGOFRVGAI-AWEZNQCLSA-N 366.425 2.535 0 50 FFAA O=C(Nc1ccccn1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 1030943 MOYPKHYEJCQCSP-LLVKDONJSA-N 360.211 2.836 0 50 FFAA Cc1cc2oc(-c3ccccc3)c(CC(=O)O)c2c(=O)n1CCC(=O)O 1848442931 PEMTZQCORSTAGD-UHFFFAOYSA-N 355.346 2.672 0 50 FFAA Cc1ccc(C)c(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c1 5016022 MLFBMSCZWHSUBW-CQSZACIVSA-N 356.403 2.821 0 50 FFAA Cc1cc2cccc(C(=O)N3CCCN(Cc4noc(C)n4)CC3)c2o1 1772704194 KQJUWNDQICMLNC-UHFFFAOYSA-N 354.410 2.781 0 50 FFAA CC[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(C(=O)c2ccccc2)C1=O 5477003 UOPIPCOLXDJSSQ-HXUWFJFHSA-N 350.374 2.595 0 50 FFAA C[C@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)c2ccc(F)cc2)CC3)C[C@@H](C)O1 11882492 ZSMSDSSMSCKSJY-RVKKMQEKSA-N 374.456 2.704 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc(COc2c(C)cccc2C)on1)C(C)C 12596240 VZBAZUNRRRRMQN-INIZCTEOSA-N 360.410 2.798 0 50 FFAA Cc1csc(CNC(=O)[C@@H]2CCCN(C3CCN(C(C)C)CC3)C2)n1 12702574 DEQZTABFUSGLBT-MRXNPFEDSA-N 364.559 2.653 0 50 FFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 12959963 LHVVVXVYYKHWDS-VQHVLOKHSA-N 350.418 2.773 0 50 FFAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(C)CC3)C2=O)cc1 14748078 FESSXNXWAIUTBF-UHFFFAOYSA-N 359.470 2.580 0 50 FFAA O=C([C@@H]1C[C@H](CN2CCCC2)CN(CCc2ccccc2)C1)N1CCCC1 14748906 OYOZMJMHWHRYKX-FGZHOGPDSA-N 369.553 2.885 0 50 FFAA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1 4884955 OCXVBSISSLDTFN-UHFFFAOYSA-N 360.435 2.795 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 2770530 IXIVOSBNFZFIEL-UHFFFAOYSA-N 358.825 2.947 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cc1 1857693056 GKRFACRKNIHQSW-KRWDZBQOSA-N 355.438 2.698 0 50 FFAA CC(=O)NC[C@H](C)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 11786170 ZYKJPQUKJHXEFQ-SFHVURJKSA-N 367.493 2.912 0 50 FFAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 156409408 TYYAQXAKTNZVLD-MNOVXSKESA-N 359.239 2.553 0 50 FFAA Cc1cc(C)nc(-n2[nH]c(C(=O)N(C)[C@@H](C)C3CCCCC3)cc2=O)n1 907797013 IXGXRHOCSYRECA-AWEZNQCLSA-N 357.458 2.613 0 50 FFAA O=C(O)c1ccn(-c2cccc(CNC(=O)C3C[C@@H]4CC[C@H](C3)S4)c2)n1 909573092 SFLBQMGLRPSOMK-VHRNVKJDSA-N 371.462 2.861 0 50 FFAA Cc1ccccc1-c1nnsc1C(=O)N[C@@H]1CCCC(F)(F)[C@H]1O 822776727 RVKSNPFCZGUTPN-RISCZKNCSA-N 353.394 2.792 0 50 FFAA Cc1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 626132 XYEFUSIUQLPQHR-SFHVURJKSA-N 352.390 2.667 0 50 FFAA NCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2nnc(C(F)F)n2c1 2325774968 LOCPQQKHNPWANS-CQSZACIVSA-N 357.364 2.543 0 50 FFAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1NCc1nccn1-c1ccccc1 2325785477 ARSOFIMHMHGENB-BMGDILEWSA-N 371.872 2.652 0 50 FFAA C[C@@H]1CCNC(=O)[C@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2325839619 ZJAJZQWPEBEAPQ-CJNGLKHVSA-N 363.417 2.997 0 50 FFAA O=C(COc1ccc(F)cc1)N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2 4660929 JNQNLSSFEOEBJH-HLJROMEYSA-N 361.413 2.990 0 50 FFAA biogenic CC(C)c1ccc(NC(=O)CCN2CCN(C[C@@H]3CCCO3)CC2)cc1 65526935 KAESTLIXYXRLCG-FQEVSTJZSA-N 359.514 2.935 0 50 FFAA O=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1Cl 2243971 KKPGVOCNDFEBEZ-ZDUSSCGKSA-N 374.245 2.968 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(C)nc1 117708622 RSIPNZHKBBPKCU-GOSISDBHSA-N 367.449 2.879 0 50 FFAA COc1cc(N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)nc(N)n1 67974264 URHZPDWZKBGWHI-CYBMUJFWSA-N 368.416 2.981 0 50 FFAA Cc1cc(C)n(CC[C@@H]2CC(=O)Nc3c2c(-c2cccnc2)nn3C)n1 65395483 YHYYMLSOUVJHOD-CQSZACIVSA-N 350.426 2.812 0 50 FFAA CN1CCC2(CC1)CN(C(=O)c1cc(-c3ccccc3)on1)CCCN2C 67964884 ADUYYFVKDVSBJT-UHFFFAOYSA-N 368.481 2.584 0 50 FFAA O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(c2ccccc2F)CC1 22620099 OIUJUPLXFDAEBH-LJQANCHMSA-N 370.468 2.876 0 50 FFAA CC(C)n1cnnc1[C@H]1CCCN(CC(=O)Nc2cc(F)ccc2F)C1 118860687 YQYLCNJEHQIXHD-ZDUSSCGKSA-N 363.412 2.955 0 50 FFAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)[C@H]1C=CCN1)C2 67872264 ZRXWLFJBINFTQV-MRXNPFEDSA-N 370.474 2.981 0 50 FFAA CC(C)CCC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67805780 BCKHPHMAGAARKX-UHFFFAOYSA-N 356.470 2.778 0 50 FFAA C[C@@H](NC(=O)CN1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2)[C@@H]1C[C@H]2CC[C@H]1C2 332719504 KJMXMRQMWRXVQZ-PCMNTEJDSA-N 368.525 2.981 0 50 FFAA O=C(NCC1(O)CCCCC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 23231494 APQPPBIXEATWCJ-MRXNPFEDSA-N 350.503 2.759 0 50 FFAA COc1ccc(CNC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)cc1 170624699 ORXCZQVCOZDLMS-GFCCVEGCSA-N 364.401 2.763 0 50 FFAA O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1cc(=O)c(O)co1 67847364 NDKPNOQBFKTKBJ-QGZVFWFLSA-N 356.765 2.913 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1Cc3cnc(CC(C)C)nc3C1)C2 67513668 AKSMHBOCQBUBKR-OAHLLOKOSA-N 367.449 2.777 0 50 FFAA Cc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1 150700433 PIOZPLCFCKMYFM-UHFFFAOYSA-N 371.529 2.847 0 50 FFAA Cc1cc2n(n1)CCCN(c1nc(C3CCCC3)nc3c1cnn3C)C2 72409136 BACIKVSCRUFCLM-UHFFFAOYSA-N 351.458 2.936 0 50 FFAA Cn1cc([C@@H](NCCc2nnc3n2CCCCC3)c2cccc(F)c2)cn1 154002903 MGCSFFMEVCLPOJ-FQEVSTJZSA-N 368.460 2.799 0 50 FFAA Cc1ccc2[nH]c(C)c(CCNC(=O)CSc3nnc(N)s3)c2c1 215763280 VVLOPGQPUUQSKE-UHFFFAOYSA-N 361.496 2.669 0 50 FFAA CC(C)n1cc([C@@H]2CN(CCc3ccc4c(c3)CCO4)C[C@H]2CO)cn1 284686488 AOAYHVAPXNTPIP-PMACEKPBSA-N 355.482 2.649 0 50 FFAA Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)sc1CC(N)=O 240569330 GZPUDEOJMIKJOG-YUSALJHKSA-N 355.529 2.655 0 50 FFAA COc1cc(F)cc(CNC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 376338228 POECSALNMPVJMR-FQEVSTJZSA-N 369.396 2.640 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 77288188 UDYXMLPLYDQCKN-HXUWFJFHSA-N 357.502 2.978 0 50 FFAA Cc1cccc(OC2CCN(C(=O)C[C@H]3CN(C(C)C)CCO3)CC2)c1 77323580 YRNAOJFJDTZSFH-FQEVSTJZSA-N 360.498 2.864 0 50 FFAA O=C(O)C[C@@H]1COCCN1Cc1ccccc1OCCc1ccccc1 72172595 RLOTZQHXKSQQEX-LJQANCHMSA-N 355.434 2.984 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CCC(N4CCCCC4)CC3)n2)c1 72447952 FCHHSXSTPUXROE-UHFFFAOYSA-N 367.453 2.692 0 50 FFAA COCCOc1cc(NC(=O)Cc2ccc(C(=O)O)cc2)ccc1OC 263368271 WZGUFSYUDFQWBF-UHFFFAOYSA-N 359.378 2.600 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)C1 263408199 UHMCQACKDXSXKL-FUHWJXTLSA-N 353.422 2.872 0 50 FFAA COc1cccc(N2CCN(C(=O)C3(c4ccccc4F)CC3)CC2=O)c1 82121492 DWDNHQHRMTZORK-UHFFFAOYSA-N 368.408 2.741 0 50 FFAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)o1 82087749 LRIRRKAMPBGDNF-HXUWFJFHSA-N 356.470 2.758 0 50 FFAA Cc1cccc2c1OC[C@@H](NC(=O)Nc1ccc(-c3ncn(C)n3)cc1)C2 289867982 DBWWBFQDVMBPRR-KRWDZBQOSA-N 363.421 2.916 0 50 FFAA Cc1nc(NCc2cc3ccc(F)cc3nc2O)cc([C@@H]2CCOC2)n1 426535895 OSWGEUQOGXCZPB-CYBMUJFWSA-N 354.385 3.294 0 50 FFAA COc1ccccc1CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 192213226 NWHPJKPHSCANJO-HXUWFJFHSA-N 368.477 2.645 0 50 FFAA NC(=O)c1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cn1 194918340 OWLZYELNCYVPDT-UHFFFAOYSA-N 361.405 2.633 0 50 FFAA CC(C)N1C[C@@]2(CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCC1=O 82156593 XYGPEVJJWLOZEO-SFHVURJKSA-N 368.474 2.627 0 50 FFAA COc1ccc(OC)c(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 426521220 KYVYIRLCDMXSGA-OAHLLOKOSA-N 358.442 2.522 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H]2CCOc3ccccc32)nn1 179986831 JOJJVUSCJNAWSB-OAHLLOKOSA-N 352.369 2.968 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 426419652 BLTMDLJHLHCTCQ-CYBMUJFWSA-N 354.406 2.679 0 50 FFAA COCCCN1CC2(CCN(c3nccc(C4CCCC4)n3)CC2)CC1=O 95388994 ROUSYUOKANGFCF-UHFFFAOYSA-N 372.513 2.990 0 50 FFAA O=C(NC[C@H](O)c1ccccc1F)c1cnc(Nc2ccccc2)nc1 97522719 FZBQAIZSXDANOU-KRWDZBQOSA-N 352.369 2.823 0 50 FFAA Cc1ccc2cc(C(=O)N(CCC(=O)O)C[C@@H]3CCCO3)c(C)nc2c1 237887223 UFERAIMKVVJIHF-INIZCTEOSA-N 356.422 2.948 0 50 FFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239173741 OOIMGFZNCXYCRF-HXXCKNJQSA-N 364.445 2.631 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91737314 QNRAEEMWEXMEHS-KRWDZBQOSA-N 351.450 2.860 0 50 FFAA O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 91445155 YQNUKWKZHGJMCM-HNAYVOBHSA-N 353.466 2.883 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95519332 CEURIVDTPJWWKA-KRWDZBQOSA-N 364.453 2.563 0 50 FFAA Cc1nc2ccc(-n3ccnc3-c3cn(C4CCNCC4)nn3)cc2s1 91847998 XTGMTZDYRHGDOR-UHFFFAOYSA-N 365.466 2.973 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)c2cnc(Nc3ccccc3)nc2)C1 97156046 SEKKRKHXDICJTA-OAHLLOKOSA-N 351.454 2.919 0 50 FFAA Cc1ccccc1SCC(=O)NC[C@H]1CCCN(c2ncccn2)C1 94105317 MTRJVKFULDDUTE-MRXNPFEDSA-N 356.495 2.910 0 50 FFAA O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91519269 QMZBNBFSHRPKLG-DOTOQJQBSA-N 357.479 2.514 0 50 FFAA O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(CSc2nnc[nH]2)o1 244734347 NDVOUIUKLQMNNK-CQSZACIVSA-N 354.435 2.977 0 50 FFAA O=C(CCN1CCC([C@H](O)Cc2ccccc2)CC1)Nc1nccs1 244734388 NEPYQMRMROLOCF-QGZVFWFLSA-N 359.495 2.787 0 50 FFAA Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC[C@H](C(=O)O)C1 299743186 MLEKVVADPSJUPZ-LBPRGKRZSA-N 363.364 2.704 0 50 FFAA CC(C)CN1CCN(C(=O)c2cccc(-c3cccnc3O)c2)[C@H](C)C1=O 299801932 ZCZAWHAYHOTOOG-OAHLLOKOSA-N 367.449 2.783 0 50 FFAA Cn1ccnc1SCC(=O)N1CCC[C@H](COc2ccccc2F)C1 299754856 ACWPIYSQTBRCDE-AWEZNQCLSA-N 363.458 2.969 0 50 FFAA CC(C)c1nc(CN(C)C(=O)N[C@H]2CCCN(c3cnccn3)C2)cs1 584887390 MNDMHKLCJMBZEZ-AWEZNQCLSA-N 374.514 2.867 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCCCn1ncc2ccccc21 823118473 RKGYVYHCVUQBPO-NRFANRHFSA-N 362.477 2.989 0 50 FFAA Cn1nnc(-c2ccccc2NC(=O)c2cc3ccccc3c(=O)s2)n1 825667639 AAVWKELJTDQDHS-UHFFFAOYSA-N 363.402 2.704 0 50 FFAA Cc1ccc(C(=O)NC[C@@H]2CCCN(CCc3ncc[nH]3)C2)c(F)c1F 828154477 XFOLLBVGBICFBS-AWEZNQCLSA-N 362.424 2.681 0 50 FFAA NC(=O)c1ccc(CNC(=O)N2CCC3(CCc4ccccc43)CC2)cc1 584884793 QQHRXPMUOIRMNH-UHFFFAOYSA-N 363.461 2.975 0 50 FFAA CC(C)c1ncc2c(n1)CCN(C(=O)c1n[nH]c3c1C[C@H](C)O[C@@H]3C)C2 1875395430 XLQLMBHYCNHZDI-NWDGAFQWSA-N 355.442 2.544 0 50 FFAA O=C(Nc1ccc2ccc3cc[nH]c3c2n1)N[C@H](CO)C[C@H]1CCOC1 1875307471 ZTTHSBWYJFCYNK-DOMZBBRYSA-N 354.410 2.625 0 50 FFAA C=CC(=O)NCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 1875371371 YGRUGXNGXUWESX-UHFFFAOYSA-N 363.870 2.958 0 50 FFAA Cn1cc(OC2(C(=O)N3CCC[C@H](c4cc(O)cc(F)c4)C3)CC2)cn1 1875308016 PVISNXVHCBIWMY-ZDUSSCGKSA-N 359.401 2.582 0 50 FFAA Cc1nc(-c2ccc(CNC(=O)[C@H](N)c3cscn3)s2)cs1 1875345851 KHPUDHDOKYFRCO-CYBMUJFWSA-N 350.494 2.953 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@H](C)c2cncc(C)c2)[C@H]1c1cnn(C)c1 952887893 WPGUISMJUVIOAT-QINHECLXSA-N 355.486 2.774 0 50 FFAA C[C@H](c1ccccc1)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NC(N)=O)C1 1875297200 GKBSCGHPAFZRAV-UXPWSPDFSA-N 365.477 2.918 0 50 FFAA O=C(NCCNC(=O)C1CCCC1)c1ccc(Oc2ccccc2)nc1 1875258329 LVGRCLLFOCFLIR-UHFFFAOYSA-N 353.422 2.910 0 50 FFAA C[C@H](c1ccccc1)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 1875297199 GKBSCGHPAFZRAV-NSISKUIASA-N 365.477 2.918 0 50 FFAA Cc1cc2c(cc1C(=O)Nc1ccc(CC(=O)NC3CC3)cc1)OCCO2 952987475 JSQMOCUWRGPUQO-UHFFFAOYSA-N 366.417 2.840 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CN(C)c2ccccc2O1 952973984 CFXDSBMYGMYIIF-IBGZPJMESA-N 364.405 2.592 0 50 FFAA O=C(c1cc(Cl)nc(Cl)c1)N1CCC(N2CCCOC2=O)CC1 887722610 IAFQFSKWAPAEIV-UHFFFAOYSA-N 358.225 2.835 0 50 FFAA COc1ccc([C@H]2CN(C(=O)CCCn3ccnc3C)C[C@@H]2N(C)C)cc1 1565525393 ULDXVMHWUFNZSC-UXHICEINSA-N 370.497 2.537 0 50 FFAA O=C1NCCN(C(=O)Cc2ccco2)[C@@H]1c1ccccc1C(F)(F)F 272736785 KBKNUXWNQMPLEL-OAHLLOKOSA-N 352.312 2.541 0 50 FFAA Cc1cc(C(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)cc(O)n1 407974598 CEKRTHHNQKMOFR-UHFFFAOYSA-N 355.413 2.902 0 50 FFAA CC[C@H](NS(=O)(=O)c1cc(-c2ccno2)sc1C)c1ccnn1C 1506420802 RFSRYKXQDHEUOD-NSHDSACASA-N 366.468 2.875 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)cc2c1 1529168106 VUOATUXJBSDQIN-VQIMIIECSA-N 367.449 2.889 0 50 FFAA CCCCc1nc(C)cc(NCCNc2ccc(C(=O)N(C)C)cn2)n1 1529199170 XOJRODQNYORIPI-UHFFFAOYSA-N 356.474 2.748 0 50 FFAA O=C(NCCc1ccccc1F)C(=O)Nc1ccc(Br)cc1 3017274 ARALLYUSORWHCW-UHFFFAOYSA-N 365.202 2.886 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2[nH]cnc2C)cc1C 1704309963 UDQAJYUWADVOTE-QGZVFWFLSA-N 358.486 2.693 0 50 FFAA O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 1162468 SCJROVIAWSFKGR-UHFFFAOYSA-N 373.430 2.511 0 50 FFAA COc1ccccc1CN1CCCN(C(=O)[C@@H]2CCCCCN2C)CC1 1772807844 CJSQYWMMKKQGLC-IBGZPJMESA-N 359.514 2.604 0 50 FFAA COc1cccc(CCC(=O)N2CCCN(c3ncc(Cl)cn3)CC2)c1 1772807648 QMOBBHQTXTXVMZ-UHFFFAOYSA-N 374.872 2.810 0 50 FFAA Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(CC(C)C)CC2 11974983 AHQJWAJOTBTSOE-MRXNPFEDSA-N 355.486 2.592 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)n[nH]1 12446497 YXIXILNEJWPDPP-CQSZACIVSA-N 367.453 2.804 0 50 FFAA CC(C)c1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1 12456155 VAHOADHTRXWJTF-UHFFFAOYSA-N 351.410 2.704 0 50 FFAA COc1cccc(C[C@@H]2CN(C(=O)CCc3c(C)noc3C)CCO2)c1 12478498 WPHFKXSRHSFEMU-GOSISDBHSA-N 358.438 2.703 0 50 FFAA CN(C)C(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12714979 OLDYJPIVMPCPIR-HNNXBMFYSA-N 356.470 2.597 0 50 FFAA CCn1cc(CNC(=O)c2cc(COc3ccc(F)cc3F)on2)cn1 12752851 UQKAJKNURNBIIE-UHFFFAOYSA-N 362.336 2.678 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCCCO2)nc1 15074440 HHAMIWWERDOQRN-UHFFFAOYSA-N 357.458 2.753 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2)CC1 19790006 NMNPBYAOEYVVFY-UHFFFAOYSA-N 368.861 2.986 0 50 FFAA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2F)cc1 2876629 FVCYANVWXXEALZ-UHFFFAOYSA-N 350.415 2.695 0 50 FFAA CCN(CC)CCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 5715166 ADNSOPVZGQEOMJ-UHFFFAOYSA-N 360.483 2.597 0 50 FFAA Cc1cccc(NS(=O)(=O)c2ccc(I)cc2)n1 6700637 DPKNXUNXTANXPN-UHFFFAOYSA-N 374.203 2.795 0 50 FFAA CCOc1ccc(C(=O)N2CCN3C(=O)OC[C@@]3(CC)C2)cc1Cl 1857679323 UICTXJCPZVRXQX-QGZVFWFLSA-N 352.818 2.796 0 50 FFAA Cc1cc(C)n2ncc(-c3nccn3-c3ccc(Cl)c(C(N)=O)c3)c2n1 1857686787 HRRZGCIOQDKZFM-UHFFFAOYSA-N 366.812 2.951 0 50 FFAA C[C@@H]1CN(C(=O)CCc2cc(Cl)no2)CCN1c1ccc(F)cn1 1857713716 FDWYMBSIBQILFR-LLVKDONJSA-N 352.797 2.532 0 50 FFAA Cc1noc(C)c1CNC(=O)C[C@H]1CCCN(c2nc3ncccc3o2)C1 1857715624 AHWFHBODZLXBKT-CQSZACIVSA-N 369.425 2.751 0 50 FFAA O=C(c1csc(-c2ccccc2)n1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1875251111 MTPHJYCPJOPGMY-CRAIPNDOSA-N 365.458 2.881 0 50 FFAA CN[C@@H]1CCCN(C(=O)CCc2cc(Br)ccc2OC)C1 151041360 KPIAZDOKKSYPPQ-CQSZACIVSA-N 355.276 2.601 0 50 FFAA O=C(c1ccccc1Cl)N1CCC(N[C@H]2CCc3nc[nH]c3C2)CC1 368096911 CQCKPUSYAWWWTJ-AWEZNQCLSA-N 358.873 2.815 0 50 FFAA CCCc1ccccc1S(=O)(=O)NC(=O)C(F)(F)C1CCOCC1 835830956 BINVTSXHTPSKKB-UHFFFAOYSA-N 361.410 2.506 0 50 FFAA O=C(CCc1ccc2c(n1)NCCC2)N1CCC[C@H]([C@]23CC[C@H]2CCN3)C1 2325787775 WHRUSOGXHYLVLV-SPEDKVCISA-N 368.525 2.753 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)NC1(CNC(=O)C(C)(C)C2CCOCC2)CC1 2325793065 DMNURDBUAUOTDI-DNVCBOLYSA-N 350.503 2.640 0 50 FFAA Cc1cnccc1C(=O)NC[C@@H](C)CNC(=O)c1ccc2cccnc2c1 2325870657 JMRGSQUKUQRTEL-AWEZNQCLSA-N 362.433 2.734 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCc3ccc(O)cc3[C@H](C)C2)cc1 2325888448 SZYXKUITKKONBI-OAHLLOKOSA-N 364.445 2.996 0 50 FFAA Cc1ccc(C(=O)NCC(=O)N2CCCC2)c(Sc2ccccc2)n1 134639296 BKMCAUGKKGKUFS-UHFFFAOYSA-N 355.463 2.893 0 50 FFAA Cc1c(Br)c(=O)n(C(C)(C)C)c(=O)n1Cc1ccccc1 630702 PQVNSMACZZWZSW-UHFFFAOYSA-N 351.244 2.884 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)NC(=O)N1 759152 JSJIRDHFNYDGJF-NHYWBVRUSA-N 350.802 2.690 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCCO1 1055984 SCZMCCZVWWCSHW-SFHVURJKSA-N 372.446 2.556 0 50 FFAA Cc1ccc(N2C(=S)N(c3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1135438 RFNSVBYCXKCXKV-SJORKVTESA-N 358.488 2.772 0 50 FFAA COCCN1CCC[C@@]2(CCCN2Cc2ccc3c(ccn3C)c2)C1=O 2356136049 FGWHCPVLDYDVKW-OAQYLSRUSA-N 355.482 2.782 0 50 FFAA FC(F)(F)c1cccc(Nc2nc3nonc3nc2N2CCOCC2)c1 4045962 KJFMHYNSNLTVAK-UHFFFAOYSA-N 366.303 2.612 0 50 FFAA COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1O 4488800 IULANVULUJQVRB-LLVKDONJSA-N 357.362 2.655 0 50 FFAA O=C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1 20272591 DKXINABSDQCXOQ-UHFFFAOYSA-N 374.444 2.747 0 50 FFAA CCOc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 28290970 FEXOHEOGXXAOJN-FQEVSTJZSA-N 354.450 2.889 0 50 FFAA CCc1ccc(CCC(=O)N2CCCN(C)C3(CCN(C)CC3)C2)cc1 67772478 ROQZTQCVZPWCIM-UHFFFAOYSA-N 357.542 2.810 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cnn(C)c3)nc2)C1 67895521 JQWSDTDUMJIJCZ-MRXNPFEDSA-N 354.454 2.950 0 50 FFAA CCN1C(=O)COc2cc3c(cc21)[C@@H](c1ccnc(C(C)C)n1)CC(=O)N3 65409377 TVSFSCHALJUAMX-ZDUSSCGKSA-N 366.421 2.819 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cc(C(=N)O)c[nH]1 328627646 GJYSTMRNFGYPNO-STQMWFEESA-N 364.446 2.644 0 50 FFAA C[C@H](c1nc(N)nc(N(C)C)n1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 328839276 UFVCAZCIBOMBAL-KBRIMQKVSA-N 350.470 2.901 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@H](c2cccnc2)N2CCCC2)c1C 65382076 RNYIDXIGLZQHHF-QGZVFWFLSA-N 354.454 2.796 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 329859331 ORWSFDXPKRPUAF-SRBZOADZSA-N 350.484 2.813 0 50 FFAA COCCN1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1 1506397090 YLSVUTMLXZKPMP-CQSZACIVSA-N 363.458 2.780 0 50 FFAA CN1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H]1CO 216215244 FIFVYFHTJIABBK-HNNXBMFYSA-N 362.514 2.736 0 50 FFAA CSc1ccc(CC(=O)NC[C@H](c2ccncc2)N2CCOCC2)cc1 215467834 FKUWLQZJRNWMFZ-LJQANCHMSA-N 371.506 2.536 0 50 FFAA O=C(c1ccccc1)N1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 71762079 YMDNGVKALJQTDR-UHFFFAOYSA-N 362.433 2.640 0 50 FFAA CCN(CC(C)(C)O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 363970748 MNKGPZUCMSWLSD-CYBMUJFWSA-N 355.429 2.594 0 50 FFAA CCCCN1C[C@@]2(CCCN(Cc3cnc(N(C)C)nc3)C2)CCC1=O 77471727 IZAXGECHDOJUSO-FQEVSTJZSA-N 359.518 2.547 0 50 FFAA CCCc1nnc(S)n1CC(=O)NC1(c2ccc(F)cc2F)CCC1 154978050 DUARMBFBTMECGT-UHFFFAOYSA-N 366.437 2.993 0 50 FFAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1ncoc1-c1ccccc1Cl 173763106 PTOOYEYIMUYRFT-ZDUSSCGKSA-N 361.829 2.588 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@@H](C(=O)O)N(C)C4)cc2c1C 72129536 OHAZJCKGTSIOTG-SFHVURJKSA-N 369.465 2.796 0 50 FFAA COc1ccc([C@H](O)C(=O)N2CCCN(c3ccc(F)cc3)CC2)cc1 77504442 DODYZDYHRSAFHR-IBGZPJMESA-N 358.413 2.607 0 50 FFAA Cn1nccc1[C@H]1[C@H](NC/C=C/c2ccccc2)CCC(=O)N1C1CC1 284425092 DFDFQHLGZCTZIV-CZBMUTHLSA-N 350.466 2.918 0 50 FFAA COCc1noc(CNC(=O)[C@H](C)SCc2ccc(Cl)cc2)n1 219892027 LEPZMNVHGIIJGW-JTQLQIEISA-N 355.847 2.808 0 50 FFAA CCn1cnnc1CCNc1cc(-c2ccc(F)cc2)nc2ccnn12 72447170 NFPJHRXSQCWBNY-UHFFFAOYSA-N 351.389 2.801 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)CCC1=O 77440643 PSIYNLTYOLTRRE-GOSISDBHSA-N 366.893 2.568 0 50 FFAA O=C(Nc1ccn(CCc2ccncc2)n1)[C@@H]1Cc2cc(F)ccc2O1 130755679 CLMJPWZNHBOGTP-KRWDZBQOSA-N 352.369 2.602 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 77518338 KZOMNJAKGZWUIE-FQEVSTJZSA-N 370.416 2.778 0 50 FFAA CCn1ccc(CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)n1 426712551 BHKLVEGYZJJZGX-CMKODMSKSA-N 356.470 2.889 0 50 FFAA O=C(c1nc2ccccc2[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1 426414789 UCJABWJYTCCUJQ-SFHVURJKSA-N 360.461 2.878 0 50 FFAA CCOC(C(=O)N[C@H](C)c1nncn1C)(c1ccccc1)c1ccccc1 222565629 SNYUVPNPWLTVDZ-MRXNPFEDSA-N 364.449 2.973 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)c1ccc(-n3ccnc3)cc1)C2 95366557 HXOQAVJDTZJRGC-OAHLLOKOSA-N 363.417 2.862 0 50 FFAA Cc1cccc(CC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95364038 GWLYEMOFMRGINY-LJQANCHMSA-N 354.498 2.702 0 50 FFAA COCC[C@@H]1CN(c2nc(C)nc3c2Cc2ccccc2OC3)CCO1 97642082 XNTALSOAQXGHGR-MRXNPFEDSA-N 355.438 2.510 0 50 FFAA CSCc1noc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)n1 91604646 MBJVJRORPXTEQV-GDBMZVCRSA-N 372.494 2.669 0 50 FFAA CN1C[C@@H](N)C[C@H]1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91625253 OJTIIKJFKMREEN-SFTDATJTSA-N 363.505 2.627 0 50 FFAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2csc3c2CCCC3)C1 91625899 FHBOWTPIDIQLPI-GOSISDBHSA-N 351.468 2.970 0 50 FFAA COC[C@H](O)CN1CCC(N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 180209340 ZYYMMWSMXOCOFW-RTBURBONSA-N 352.906 2.852 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91657095 JVDBOJLSUHSNLO-HNNXBMFYSA-N 368.466 2.506 0 50 FFAA CNC(=O)[C@@H]1C[C@H](NCc2cccnc2)CN1Cc1cccc2ccccc12 23373992 WBIGGVOTOUMFSS-UNMCSNQZSA-N 374.488 2.714 0 50 FFAA CCCn1nc(C)c(CNC(=O)Nc2cccc(Cn3cncn3)c2)c1C 95497848 PARPETVORXDLEO-UHFFFAOYSA-N 367.457 2.871 0 50 FFAA C[C@H]1Cc2cc(NC(=O)NCCCc3nnc4ccccn34)ccc2O1 96162937 XUGJXVXXRFFWPM-ZDUSSCGKSA-N 351.410 2.807 0 50 FFAA CC1(C)SC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)NC1=O 95387560 IEDBVZBQCFKNMZ-MRXNPFEDSA-N 364.486 2.617 0 50 FFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(CCn3cnnc3)C2)c(C)c1 95500059 JVFNMCODUARCJU-KRWDZBQOSA-N 371.485 2.726 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)no1 91713428 KTEQMTHHRFYUKB-OAHLLOKOSA-N 351.410 2.643 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CC(Oc3ccccc3F)C1)C2 91663275 RGVIRCBTILXULC-CQSZACIVSA-N 357.381 2.675 0 50 FFAA Cc1nc(CN(C)C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)cs1 95530492 GUMOKEGGPZQQQW-INIZCTEOSA-N 357.479 2.501 0 50 FFAA CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2C[C@@H]3CNC[C@@H]3C2)c1 97657092 CQLNONQYLFXHMV-BETUJISGSA-N 351.834 2.588 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ncc[nH]4)C3)oc2c1 95505876 BBJGSRCZJBXXEI-ZIAGYGMSSA-N 353.378 2.713 0 50 FFAA CC(=O)N1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C(C)(C)C1 181763916 UYUVBYMJXRSVLG-UHFFFAOYSA-N 365.840 2.503 0 50 FFAA Cc1cccnc1NCCNc1cc([C@H]2C[C@@H](N)C2)nc(N2CCCC2)n1 244690998 JATMMOPIUHOTSB-IYBDPMFKSA-N 367.501 2.509 0 50 FFAA O=C(c1cc(Cn2cccn2)on1)N1C[C@@H]2CCCN2Cc2ccccc21 298251923 DSPFIHKNKNGZMP-INIZCTEOSA-N 363.421 2.544 0 50 FFAA COCCN1CCC(CN2CC[C@@H](c3sccc3C)[C@H](O)C2)CC1 65388187 FRIVDVZWERNREM-QZTJIDSGSA-N 352.544 2.565 0 50 FFAA CN1CCC2(CC1)CN(C(=O)C1(Nc3ccccc3)CCCC1)CCN2C 67688361 WAAPMJORNVHXCE-UHFFFAOYSA-N 370.541 2.650 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)N(C)C[C@@H]1CCCCO1 299785757 LZPLCYJGUZUCBU-INIZCTEOSA-N 358.442 2.973 0 50 FFAA O=C(Nc1ccccc1Oc1ccccc1F)N1CCC(O)(CO)CC1 299793158 GLOMBWVESVMTQX-UHFFFAOYSA-N 360.385 2.969 0 50 FFAA COC[C@H](NC(=O)c1cccc(-c2nc(C)cnc2C)c1)c1ccnn1C 299769206 LYTSXZXKLKEFAR-KRWDZBQOSA-N 365.437 2.611 0 50 FFAA COc1ccccc1-c1ccc(C(=O)NCCN2CCC[C@@H](CO)C2)cc1 828711198 PPUMEHJBNYCDNG-QGZVFWFLSA-N 368.477 2.796 0 50 FFAA CCOc1ccc(CC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 585999985 XKTCGAGZRFFKSM-INIZCTEOSA-N 356.422 2.642 0 50 FFAA Cn1cnnc1[C@@H]1CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)C1 1875332135 GTMAMKDMIHNAQT-QGZVFWFLSA-N 372.432 2.988 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@H](C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)o1 1875343367 ZCHRDKREAPANCN-QWRGUYRKSA-N 362.348 2.884 0 50 FFAA C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)CC[C@H]2CCOC2)C1 1875336314 CKACQNJALRBTIM-YESZJQIVSA-N 352.519 2.983 0 50 FFAA Cn1cc(-c2noc([C@@]3(C(F)(F)F)CCN(c4ccccn4)C3)n2)cn1 952895353 SZIGDMDSVIMIRI-OAHLLOKOSA-N 364.331 2.576 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CCC(c3c[nH]nc3C)CC1)C2 952845555 VUCPLMLQOQUZSA-MRXNPFEDSA-N 355.438 2.684 0 50 FFAA Cc1cnccc1CC(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848155 GVXKQQYAGPLMBQ-SJORKVTESA-N 351.454 2.580 0 50 FFAA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1c2ccccc2nn1C 1875262080 BNIMKXYOUUFHQE-ZDUSSCGKSA-N 361.405 2.984 0 50 FFAA CCc1nc2cc(NC(=O)[C@H]3Cc4ccccc4C(=O)N3)ccc2n1CC 952983815 XGOGMOMUVOQCKJ-QGZVFWFLSA-N 362.433 2.912 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)c1nc2ccccc2[nH]1 888089204 OCBKUWHXMXUWPG-DIFFPNOSSA-N 354.410 2.777 0 50 FFAA c1coc(-c2ncc(CNCc3csc(-c4cnccn4)n3)cn2)c1 952963989 AURQASUMSRSNFH-UHFFFAOYSA-N 350.407 2.940 0 50 FFAA CCOc1cc(-c2nnc([C@@H]3CCCO[C@H]3c3nccn3C)o2)ccn1 886084551 IGGMMGBDWKJOAE-UKRRQHHQSA-N 355.398 2.899 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CN(CC4CCC4)C[C@]3(C(=O)O)C2)c(C)c1 1565509767 PKEYULNJSXSGAT-UWJYYQICSA-N 356.466 2.562 0 50 FFAA Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cnccn2)C3)c1 1565530912 SIWNAMBAGOCBMX-WBVHZDCISA-N 365.437 2.554 0 50 FFAA CCCNC(=O)c1ccc(N2CCC(Oc3ncccc3F)CC2)nc1 278564675 WVTKUATZJMXFOO-UHFFFAOYSA-N 358.417 2.803 0 50 FFAA COCCOc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cc1F 170592308 WPVQJGRPYPLKGY-MRXNPFEDSA-N 365.449 2.943 0 50 FFAA CCc1c(NCC(=O)NCc2cccc(COC)c2)cnn1CC(C)C 170618776 PMYVKVRZSRFALE-UHFFFAOYSA-N 358.486 2.976 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)c(C)c1 407998705 SAJNIEPDQSCKCY-JXFKEZNVSA-N 371.458 2.849 0 50 FFAA CC[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C[C@@H]1O 222007471 CFHTYTCOKZILPA-WJETXHTCSA-N 356.304 2.950 0 50 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CN1CCC[C@H]1C(=O)NC1CC2(C1)C[C@@H]2Nc1nc2ccc(F)cc2o1 1875405643 KXVUBRYNIWTXAK-AOLQBICDSA-N 358.417 2.510 0 50 FFAA Cc1c(NC(=O)c2cc(-c3cccn3C)[nH]n2)cccc1-c1nncn1C 952978734 DXSUJRXBXZBSHE-UHFFFAOYSA-N 361.409 2.771 0 50 FFAA Cc1ncsc1C(=O)NC[C@H]1CCCN(Cc2nnc(C(C)C)o2)C1 952964834 ORNKDHUDWYJICK-CYBMUJFWSA-N 363.487 2.600 0 50 FFAA COc1ccccc1OCC(=O)N1CCCN(c2ccncc2C)CC1 952980591 XLPVVTGMPHGZHF-UHFFFAOYSA-N 355.438 2.516 0 50 FFAA COc1cccc([C@H](C)N2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccnn2C)c1 886096515 KQVDKBUHZJEEHE-QITLCBANSA-N 357.410 2.554 0 50 FFAA Cc1cc2nc(O)[nH]c2c(NC(=O)CCS(=O)(=O)c2ccccc2)c1C 952971898 LQXPUHBSOCZLDK-UHFFFAOYSA-N 373.434 2.688 0 50 FFAA CCN1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3cccnc3C3CC3)C2)[C@@H]1C(C)C 888094950 NERASLDYASMFMN-PLOVASNDSA-N 357.498 2.559 0 50 FFAA O=C(N[C@H]1CC12CC(O)C2)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 888951270 MQOBMTZSOVKZNB-FYRJDAGRSA-N 369.383 2.684 0 50 FFAA COc1ccc(Br)cc1CNC(=O)N[C@@H](C)c1noc(C)n1 1346168660 NQBKMAUYUXLUCH-QMMMGPOBSA-N 369.219 2.710 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC(C)(C)CCN1CCN(C)CC1 185896190 MCEGNQAVJPRRCR-UHFFFAOYSA-N 355.530 2.686 0 50 FFAA Cc1noc(C)c1COc1cccc(C(=O)N(CCO)CC(F)F)c1 170619134 XMSXUIUNLNFROI-UHFFFAOYSA-N 354.353 2.570 0 50 FFAA CN(C)[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1Cl 188298120 ZONAHVPQNJOJKB-GOSISDBHSA-N 360.889 2.904 0 50 FFAA Cc1ccc([C@@H](O)CNC(=O)Cc2nc(C)ccc2Br)cc1 225413498 IYELAUYQTBBFGQ-INIZCTEOSA-N 363.255 2.853 0 50 FFAA CC(C)(C)OC(=O)NCc1ccc(-c2noc(CCCC(N)=O)n2)cc1 225631634 RWRWDSQFLYXURI-UHFFFAOYSA-N 360.414 2.569 0 50 FFAA O=C1C[C@H](C(=O)N2CCn3c2nc2ccccc23)c2ccc(F)cc2N1 193802242 VALUYHBQZUWXGI-ZDUSSCGKSA-N 350.353 2.648 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCCN(Cc2ccsc2)CC1 1529159447 QWXWENUTPSKMMJ-UHFFFAOYSA-N 367.478 2.881 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cccnc3OC)CC1)OCC2 1704343714 MSOBLYJDEQFFGB-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)CSc2ccncc2)C[C@@H]1C(=O)O 212479516 IHDHBOMDCPZTEC-CVEARBPZSA-N 372.446 2.509 0 50 FFAA CCc1nnc(CN2CCCN(C(=O)c3ccc(C)c(Cl)c3)CC2)o1 1772708653 JXVBUANWSOYGBV-UHFFFAOYSA-N 362.861 2.942 0 50 FFAA Cc1cccc(-c2noc(CCCC(=O)N3CCC[C@@H]3C3(O)CC3)n2)c1 1772805874 URFRNLDMUWVURV-MRXNPFEDSA-N 355.438 2.884 0 50 FFAA CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC 5316700 YFNCATAIYKQPOO-UHFFFAOYSA-N 370.456 2.572 0 50 FFAA biogenic,in-man CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2OC(c3ccccc3)=N[C@H]12 5669958 NGVNTPCATZLIDL-ZOCXKQACSA-N 367.401 2.686 0 50 FFAA COCc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1 11771706 CFYFOCZKRPCLDS-CQSZACIVSA-N 362.426 2.565 0 50 FFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2nccs2)cc1 11973290 SIZRJLPSVMTVFD-MRXNPFEDSA-N 373.478 2.601 0 50 FFAA CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 12379808 QLKVTGQGDRAYCK-UHFFFAOYSA-N 365.358 2.921 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2CCCN(C3CCN(C(C)C)CC3)C2)cc1 14949074 ZAFMKCXVCCQWGF-LJQANCHMSA-N 373.541 2.896 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCO[C@@H](Cc2ccccc2Cl)C1 14960135 ZHGPXZUKMYKQDV-SFHVURJKSA-N 366.933 2.942 0 50 FFAA O=C(CCOc1ccccc1)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 14960216 SSONSJGALULROP-KRWDZBQOSA-N 356.397 2.512 0 50 FFAA CSc1nnc(CNC(=O)Cc2ccsc2)n1Cc1ccccc1 14965663 VOVUGJJNQNVJNK-UHFFFAOYSA-N 358.492 2.969 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(Cc2ccccc2F)CC1 15067548 SCJTUAZJCMOCBD-QFIPXVFZSA-N 374.500 2.844 0 50 FFAA Cc1ccc(CN2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)cc1 19642570 CWJHMYPTPQKXNK-FQEVSTJZSA-N 368.477 2.793 0 50 FFAA COc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1 169768706 BHKRATUTLQLUIX-UHFFFAOYSA-N 365.437 2.577 0 50 FFAA CCn1ncnc1[C@H](C)n1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857691810 DSICZNFRYATIJT-LBPRGKRZSA-N 364.409 2.621 0 50 FFAA Cc1ccc(O)cc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857715301 LJOLITXHGNWQAY-FUHIMQAGSA-N 352.434 2.645 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC3(CC2)CNC(=O)CCO3)c1 1875250129 ADPHOROIANRRJZ-UHFFFAOYSA-N 368.481 2.565 0 50 FFAA CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(C(=O)O)nc1 237102507 WKAMTHXLBCKXHA-UHFFFAOYSA-N 354.284 2.951 0 50 FFAA Cc1csc(N(C)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 363615988 WZMRIMXLFFJWFH-INIZCTEOSA-N 357.479 2.896 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@]1(CC(=O)O)CCOC1 262962368 MCHUIYCVDQPFCS-PSLIRLAXSA-N 362.209 2.511 0 50 FFAA CCn1cnc2c(NCc3cccc(NC(=O)[C@H]4CCCO4)c3)ncnc21 264699795 PQWPVWXRCHWVSF-OAHLLOKOSA-N 366.425 2.576 0 50 FFAA CCOC(=O)N(C)C1CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 811800570 AEXYWWBXFLYWQV-OAHLLOKOSA-N 361.490 2.770 0 50 FFAA CN1CC[C@@H](O)[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)C1 2100483354 NNMCOWRULFIRHY-NHCUHLMSSA-N 352.478 2.637 0 50 FFAA N[C@@H](Cc1coc2ccccc12)C(=O)Nc1ccc(N2CCCC2)nc1 2325780143 KDFLSRAOAPGXRV-KRWDZBQOSA-N 350.422 2.937 0 50 FFAA Cc1nc(-c2cccnc2)[nH]c1C(=O)N1CCCN[C@@H](c2ccccc2)C1 2325783295 LXIXFBWYSFMIIQ-GOSISDBHSA-N 361.449 2.957 0 50 FFAA CC1(C)CCN(C(=O)c2cc(Br)c3n[nH]cc3c2)[C@H]1C(=O)O 2325852169 VBZROHWNUZXYPO-LBPRGKRZSA-N 366.215 2.651 0 50 FFAA O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898675 RYZYPQNJVAXKDD-ROUUACIJSA-N 371.462 2.763 0 50 FFAA CCc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 652422 JYNHJLWFQPTOQJ-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2C)cc1 1146717 ZFQXVPTYKIKPNA-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA Cc1ccc(CC(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)cc1C 2356138499 CSEGUODDOLSQCT-WIYYLYMNSA-N 361.482 2.946 0 50 FFAA COc1c(F)cc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1F 2356150315 WTBREMHDDLARFS-LJQANCHMSA-N 364.392 2.733 0 50 FFAA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 2838220 DPNINRJLGFRANA-UHFFFAOYSA-N 359.234 2.910 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(C)=O 4840584 YDCWMUCUYQHPGD-UHFFFAOYSA-N 360.435 2.795 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)c1cccc(CN2CCOCC2)c1 20044062 LHGRBBFONDNHCI-UHFFFAOYSA-N 354.406 2.542 0 50 FFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(Cn2cncn2)c1 56724352 QKJJCTRTVZQQEU-QGZVFWFLSA-N 367.457 2.759 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)N(C)CC2(CO)CC2)no1 67884768 HAHCWQYIZYGNLL-UHFFFAOYSA-N 362.451 2.820 0 50 FFAA CSc1ccc2cc(CN3CCC[C@@H](CCC(N)=O)C3)c(=O)[nH]c2c1 67955633 HGCSIZTXOPXRHF-ZDUSSCGKSA-N 359.495 2.728 0 50 FFAA C[C@@H](CN1CCOCC1)C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 72409161 QTWJGWSIFVPQQJ-ZDUSSCGKSA-N 361.873 2.674 0 50 FFAA CCCn1cnnc1-c1nc2c([nH]1)C[C@@H](c1ccc(Cl)cc1)CNC2=O 65493246 YVAJQENATRFWPG-GFCCVEGCSA-N 370.844 2.801 0 50 FFAA COc1ncc(NC(=O)N2CCCCC[C@H]2c2ccco2)cc1C(N)=O 119906728 OEQVHEKOOWNVHG-AWEZNQCLSA-N 358.398 2.931 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCCN(Cc2cccnc2)CC1 77419658 FATAHUAJMSGCRG-UHFFFAOYSA-N 361.449 2.615 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@H](C)[C@H]3C(=O)NC[C@H]32)c1 230063878 MPGZXQHRLFNTMD-POZUXBRTSA-N 370.474 2.730 0 50 FFAA C[C@H](c1ccsc1)N1CCN([C@H](C)c2nc(N)nc(Cl)n2)CC1 253427369 FKHAALMBCFUSKU-GHMZBOCLSA-N 352.895 2.609 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 67603499 XNTQMASXSJDLCR-HNNXBMFYSA-N 352.500 2.542 0 50 FFAA CCOC(=O)c1cc(C(=O)Nc2cccc(Br)c2)nn1C 2765180 RAGHSTFMYVEWSF-UHFFFAOYSA-N 352.188 2.612 0 50 FFAA CCOC(=O)[C@H](CSC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C 4014080 HZAJMLKLDMCBQQ-AWEZNQCLSA-N 367.467 2.945 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(Cn2cccn2)o1 215958741 JAEGUKABQUFVHR-UHFFFAOYSA-N 353.407 2.801 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 123502884 KAUCDYGCBFUBLB-LSDHHAIUSA-N 353.344 2.870 0 50 FFAA O=C(c1c(O)cccc1O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 436859434 LADZZNRUALZDNN-AWEZNQCLSA-N 364.405 2.903 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)CC(c1ccccc1)c1ccccc1 263258253 FZQFTRCSVJVVMV-SFHVURJKSA-N 353.418 2.911 0 50 FFAA CC[C@H](c1ccncc1)N(CC)C(=O)Cn1nnc(-c2ccccc2)n1 157275818 RTGLSIOIRQMHGY-QGZVFWFLSA-N 350.426 2.735 0 50 FFAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)NCc1nnc2n1CCCC2 219854350 WAJNYGQLISGXBI-MRXNPFEDSA-N 368.359 2.551 0 50 FFAA O=C(O)[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc2c(c1)CCO2 262965054 IHGRFTOGIMQGAG-KPLVRAHFSA-N 363.413 2.768 0 50 FFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 289120275 HCHATWNOBLEAIY-SWLSCSKDSA-N 369.473 2.823 0 50 FFAA NS(=O)(=O)c1ccc(CCN[C@H]2CCCOc3ccc(F)cc32)cc1 128003742 XLVGFFHMRSSDSN-KRWDZBQOSA-N 364.442 2.519 0 50 FFAA C[C@@H](c1ccc(F)cc1)N1CCC[C@H](N2C(=O)[C@H]3CCCCN3C2=O)C1=O 333562184 QTURXXPUWOVLOH-XKQJLSEDSA-N 373.428 2.694 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2cccc(F)c2)CC1 13736892 XPFYHNFNXJHZEA-UHFFFAOYSA-N 371.412 2.947 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237733648 QLKRBVCDXAIIRN-GFCCVEGCSA-N 362.455 2.569 0 50 FFAA COCc1nc2ncc3c(=O)n(-c4ccc(C)cc4Cl)ccc3n2n1 71375552 LBYYCTMZJUDONZ-UHFFFAOYSA-N 355.785 2.537 0 50 FFAA CC1(C)Cc2cc(CNC(=O)c3ccc4c(c3)NC(=O)CN4)ccc2O1 215346394 WDZLWQUGOOHNLE-UHFFFAOYSA-N 351.406 2.694 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 289269069 RJNWLFWQQKEUHE-PYIOCPRISA-N 368.399 2.917 0 50 FFAA COC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1Cl 130678092 KQITVXZCNLWNRR-UHFFFAOYSA-N 359.856 2.709 0 50 FFAA COc1cc(OC)nc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 287769181 NQTUPUKIGPNJIB-VIFPVBQESA-N 357.336 2.620 0 50 FFAA Cc1nn(CCC(=O)N2CCC(OCc3cccnc3)CC2)c(C)c1C 223949840 HXBTXSMJKPLBHE-UHFFFAOYSA-N 356.470 2.801 0 50 FFAA O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 17076580 RHNLMMNMLNXGEK-QWHCGFSZSA-N 374.418 2.877 0 50 FFAA Cc1ccnn1CCC(=O)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 82121795 PMIBLPDJFJCYQS-MRXNPFEDSA-N 351.454 2.939 0 50 FFAA O=C(COCc1ccccc1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222637976 DSALAKHEYNIJAD-RTBURBONSA-N 359.397 2.695 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)N[C@H](CCO)c2ccc(C)cc2)c1 426700061 PCXHAZBZKKIAOO-MRXNPFEDSA-N 371.437 2.608 0 50 FFAA Cc1ccccc1-n1ncc(C(=O)N[C@H](C)C(=O)N2CCCCC2)c1C 193604584 KGMKKWSSGIQBOS-OAHLLOKOSA-N 354.454 2.620 0 50 FFAA CCn1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c(C)n1 20607143 NAWZTNMRTDBNFZ-QGZVFWFLSA-N 363.425 2.731 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2=O)cc1 82087220 AFYZJSCZKYJUAJ-HXUWFJFHSA-N 369.440 2.612 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)NCC(=O)N2CCCC2)c1 426678194 VKAWBSVUGRCDAF-UHFFFAOYSA-N 356.447 2.970 0 50 FFAA O=C(c1cscn1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91871623 RJRVEBHCNUBPAC-AWEZNQCLSA-N 353.451 2.803 0 50 FFAA Cc1nc2ccc(C(=O)NCCCc3nnc4ccccn34)cc2nc1C 95370847 PZAHSSNNHSYYCE-UHFFFAOYSA-N 360.421 2.652 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cc1 95377266 FPDZZPVTPDJEBH-LJQANCHMSA-N 352.478 2.879 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1 95392246 XDFZZVWPCHIGFB-CQSZACIVSA-N 360.483 2.614 0 50 FFAA Cc1nc2ccccc2n(CC(=O)N2CC[C@@H](c3ccccc3F)C2)c1=O 95511933 VNCIAORLCKKDCR-OAHLLOKOSA-N 365.408 2.860 0 50 FFAA Cc1nc(-c2ccc(-c3cccc(F)c3)nc2)n([C@H]2CCS(=O)(=O)C2)n1 96162231 QCTVZDPWHBVRSI-INIZCTEOSA-N 372.425 2.814 0 50 FFAA CCOCCC(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91551520 YMHPIZSNXAWPSY-UHFFFAOYSA-N 372.509 2.887 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)NCCCc3nnc4ccccn34)ccc2O1 96162936 XUGJXVXXRFFWPM-CYBMUJFWSA-N 351.410 2.807 0 50 FFAA COc1nc2c(cc1C(=O)N1CCC[C@@H](C(=O)c3ccccn3)C1)CCC2 91503703 JXJQFUUIKXELOW-OAHLLOKOSA-N 365.433 2.709 0 50 FFAA COc1cccc2c1OC[C@@H](Cc1cncc(C(=O)N3CCCC3)n1)C2 95370410 QGCTYAYXKKNWAS-CQSZACIVSA-N 353.422 2.515 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(c3cc(C(=O)NC4CC4)ccn3)C2)c1 95525824 FJOISNLJEXHFQH-OAHLLOKOSA-N 367.449 2.985 0 50 FFAA Cc1cccn2c(CC(=O)N3CC[C@H](Cc4ccc(CO)cc4)C3)cnc12 91644558 NERPOZCIVRWZBL-LJQANCHMSA-N 363.461 2.769 0 50 FFAA Cc1nc(C2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cc(=O)[nH]1 91643653 ZOAJRFFNLOZBNQ-QGZVFWFLSA-N 351.450 2.904 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)cc(C)c1)CC2 91943522 QQRNNTXOGSFJFA-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H](c1cccnc1)N1CCCC1 95373886 NWKOHXBXVFNTLB-GOSISDBHSA-N 369.469 2.966 0 50 FFAA O=C(O)[C@@]12CN(CCc3cccc(F)c3)C[C@@H]1CN(Cc1ccccc1)C2 96165233 IBSQYJUHQTYHLH-DENIHFKCSA-N 368.452 2.887 0 50 FFAA Cc1c(Cl)cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)cc1Cl 95369847 JCVFREILPAUJIV-HNNXBMFYSA-N 371.264 2.765 0 50 FFAA O=C(O)[C@H](c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1 95501278 MOZRPGVKTSWSEO-IBGZPJMESA-N 368.433 2.823 0 50 FFAA c1ccc2sc(N3CCN(Cc4noc([C@@H]5CCCO5)n4)CC3)nc2c1 244574853 CSHNLJWRXXUSKU-AWEZNQCLSA-N 371.466 2.853 0 50 FFAA CCSc1nnc(NC(=O)CN2CCC[C@@H]2c2cc(C)on2)s1 244787631 QAMWFVIBCIDMKJ-LLVKDONJSA-N 353.473 2.722 0 50 FFAA COc1cncc([C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]2C[C@@H](O)C2)c1 252527671 DDEMVRFGFKBKAN-OHNRDTAOSA-N 366.421 2.517 0 50 FFAA O=C(Nc1ccnn1CC1CC1)N1CCC[C@@H](OCc2cccnc2)C1 299795242 JYFDEWFLQVJADH-QGZVFWFLSA-N 355.442 2.901 0 50 FFAA O=C(Cc1cccnc1)N1CCC2(CC1)CN(CC1=CCCCC1)CCO2 827921438 YJNFQBOQBCUWPN-UHFFFAOYSA-N 369.509 2.818 0 50 FFAA CCCn1cnnc1CNC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 823031297 KSVBWMUDOBDIAJ-ZDUSSCGKSA-N 363.421 2.506 0 50 FFAA Cn1cc([C@@H]2[C@@H](CNCc3ccccc3F)CCC(=O)N2C2CC2)cn1 952852495 BVENGNRUAMOEBC-QRWLVFNGSA-N 356.445 2.791 0 50 FFAA Cn1nc(Cc2ccccc2)cc1NS(=O)(=O)CCc1ccccc1 1875322982 QKOHAEGRWLYZTM-UHFFFAOYSA-N 355.463 2.995 0 50 FFAA Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)cc(-c2ccccc2)c1 1875307018 HFMJAWHJFFWGNS-BEFAXECRSA-N 352.434 2.878 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)C(C)(C)C 1875386512 SCVJKCHDRAGFJR-QGZVFWFLSA-N 354.454 2.534 0 50 FFAA C[C@H]1CC[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3Cc2nc(C3CCC3)no2)C1 1875407227 VMUNPOQWXVAYOA-PQEBFOHHSA-N 358.486 2.949 0 50 FFAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1cc(=O)nc2sccn12 952868758 SRJRDXOCVDAEGD-LBPRGKRZSA-N 371.418 2.566 0 50 FFAA c1ccc(CN2CCCO[C@@H](CN3CC[C@H](CN4CCCC4)C3)C2)cc1 170616853 TYWYNSCZJLXCTE-FGZHOGPDSA-N 357.542 2.695 0 50 FFAA C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2nc3c(s2)COCC3)C1 408402201 HBVULYYEIRYYRV-APPDUMDISA-N 353.488 2.915 0 50 FFAA O=C(C1CC1)N1CCC[C@@H](c2nc(-c3cccc(N4CCC4=O)c3)no2)C1 280920065 GFISMJBTXXGLGT-OAHLLOKOSA-N 366.421 2.589 0 50 FFAA COc1cccc([C@H](O)CNC(=O)c2ccc(N3CCCCCC3)nc2)c1 171874761 LZXPPMKDZFTSDQ-LJQANCHMSA-N 369.465 2.934 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N1CC[C@H](COCc2ccccc2)C1 188398499 KRRWAQJZCGDYLH-KRWDZBQOSA-N 353.466 2.896 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3Cl)CCO2)cn1 189221535 LCOIXHSTTPLVOL-AWEZNQCLSA-N 369.874 2.627 0 50 FFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CCc1nc(-c2ccoc2)no1 739576582 OCHGVVXAISWCOA-OAHLLOKOSA-N 353.382 2.554 0 50 FFAA CCc1c(C)nn(C)c1NC(=O)CCCc1nc(-c2cccnc2)no1 1506424211 ZJRHYPOJVYJDKA-UHFFFAOYSA-N 354.414 2.697 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)N(C)Cc2ccco2)[C@H]1c1ccccc1 1529167749 NUPZPDQMXMVLBC-MOPGFXCFSA-N 356.422 2.615 0 50 FFAA O=C(CCc1cccnc1)N1CCCN(Cc2ccc3c(c2)CCO3)CC1 1529112259 ICIQYFITTAIBPT-UHFFFAOYSA-N 365.477 2.684 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1704353757 RPIMCTFXOLECLY-WOJBJXKFSA-N 364.401 2.916 0 50 FFAA Cc1ccc2[nH]c(=O)c(Cc3c(O)c4cc(C)ccc4[nH]c3=O)c(O)c2c1 11535496 IWENJXLLHPNZBT-UHFFFAOYSA-N 362.385 2.988 0 50 FFAA biogenic COc1cc(S(=O)(=O)Nc2ccccn2)c(C)cc1Br 11613765 XPOLBCORNDRMEN-UHFFFAOYSA-N 357.229 2.962 0 50 FFAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCCC[C@H]3CCO)no2)cc1 11761257 YIFGYPQPUYJSGV-INIZCTEOSA-N 372.421 2.833 0 50 FFAA COc1ccccc1CN1C[C@H](C(=O)NCCc2ccc(C)o2)CCC1=O 12208374 FKARSSAFNJQFQQ-QGZVFWFLSA-N 370.449 2.694 0 50 FFAA COc1cccc(OCc2nc(C(=O)N(C)Cc3cn(C)nc3C)co2)c1 14957999 WQMNQACNVKPPCE-UHFFFAOYSA-N 370.409 2.576 0 50 FFAA COC(=O)CCNc1ccc(-c2nc(COc3ccccc3)no2)cn1 15079329 UBJFQRFWCUPIDR-UHFFFAOYSA-N 354.366 2.686 0 50 FFAA C[C@@H]1CN(C(=O)c2cccc3c2CCC3=O)CCN1c1ccc(F)cn1 1857677761 CGAFRVYSQSDORI-CYBMUJFWSA-N 353.397 2.701 0 50 FFAA Cc1nc(CNC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)cs1 1857695312 DIEBDPJUHRSWAR-ZDUSSCGKSA-N 371.466 2.911 0 50 FFAA Cc1ccccc1-c1ncc(CN2CCC3(CC2)CNC(=O)CCO3)s1 1857729371 XXRHRQJYNGUBGI-UHFFFAOYSA-N 371.506 2.990 0 50 FFAA N[C@@H]1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC[C@H]1O 1857736362 QJGKQEKAOYAECM-CEWLAPEOSA-N 352.478 2.813 0 50 FFAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)C2C3CC4CC(C3)CC2C4)O1 407983816 SRCGECUSADPISH-YRCFMLPXSA-N 361.482 2.769 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)cc1F 216771069 BLXCIJZZZLTKDE-AEFFLSMTSA-N 369.440 2.966 0 50 FFAA Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)cs2)o1 126975546 YKKNZVWTVDTCHI-CYBMUJFWSA-N 357.439 2.855 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)CC2)n1 378302403 XSYYHCDIFMRYBD-LSDHHAIUSA-N 350.463 2.861 0 50 FFAA COc1ccc(-c2nc(C(=O)NS(=O)(=O)CC3CCC3)c(C)o2)cc1 164953721 YJQBKWVKWQVUPM-UHFFFAOYSA-N 364.423 2.518 0 50 FFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2cccc(C(N)=O)c2)cc1 818023889 CUVXYSNOGOUSHU-CTNGQTDRSA-N 354.450 2.666 0 50 FFAA O=C1CC[C@@H](CNC[C@H](c2ccc(F)cc2Cl)C(F)(F)F)C(=O)N1 2325802054 DYCKHMAZEXFHAV-GZMMTYOYSA-N 366.742 2.767 0 50 FFAA O=C(c1ccccc1Cn1ccnn1)N1CCC[C@@H](OC2CCC2)CC1 871325550 ZHFHSIFNOYDYMM-GOSISDBHSA-N 354.454 2.890 0 50 FFAA CCN1CCN(CCNC(=O)c2ccccc2Nc2ccccc2)CC1 112918345 NDKNBELWYFACMF-UHFFFAOYSA-N 352.482 2.798 0 50 FFAA COc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 1203806 LXIBEQIXMGGZCF-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COc1ccc(-n2c(N)c(C(=O)NC[C@@H]3CCCO3)sc2=S)cc1 1134878 XNDIEOGKDXWSBU-LBPRGKRZSA-N 365.480 2.768 0 50 FFAA NC(=O)COc1c(-c2ccc(Br)o2)oc2ccccc2c1=O 1978579 KGIGMCONNWRUGX-UHFFFAOYSA-N 364.151 2.680 0 50 FFAA Cc1noc(C)c1CC(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356149181 OKJHAZAIYCNBPT-LDQXTDLNSA-N 354.450 2.980 0 50 FFAA COCC(=O)N1CCN([C@H](COc2ccccc2)c2ccccc2)CC1 2356158353 YQGUAIDKSXJRCD-HXUWFJFHSA-N 354.450 2.597 0 50 FFAA Oc1cc(F)c(-c2cnc3cncc(N4CCC(O)CC4)n23)cc1Cl 2356160317 MLKPKKXGWWMTFL-UHFFFAOYSA-N 362.792 2.856 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@]12CCCNC2=O 2356165416 HOUMLWZSDGFKNL-LJQANCHMSA-N 355.463 2.624 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H]1CN1CCCC1 55253207 YDWVIIUJKNZYBN-HNNXBMFYSA-N 372.444 2.895 0 50 FFAA CC(C)CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO 104426388 MMFJAADTNCXELR-HXUWFJFHSA-N 360.477 2.536 0 50 FFAA CN1CCC2(CC1)CN(C(=O)c1ccc(Oc3ccccc3)o1)CCN2C 67790615 KGHKIIGTZFMIRV-UHFFFAOYSA-N 369.465 2.924 0 50 FFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)Cc2cc(-c3ccncc3)no2)n1 67473201 DLFKEOYOXAAPRU-MRXNPFEDSA-N 364.453 2.938 0 50 FFAA C[C@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2ccncc2)no1 65462591 BTCUXHRVXRXREI-LBPRGKRZSA-N 361.409 2.749 0 50 FFAA COc1ccc(OC[C@H](O)CN2CCN(c3ccc(C)cc3)CC2)cc1 20060359 GOEIUMRUUPABDB-LJQANCHMSA-N 356.466 2.566 0 50 FFAA CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2OC(c3ccccc3)=N[C@H]12 25691429 NGVNTPCATZLIDL-ORAJIYJMSA-N 367.401 2.686 0 50 FFAA NC(=O)CN1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67821143 ZGPSAUZVKXQOQP-UHFFFAOYSA-N 354.431 2.954 0 50 FFAA O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cc(C2CC2)on1 252571465 XXMINXYCCAMEFF-UHFFFAOYSA-N 360.458 2.789 0 50 FFAA C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C1 230223824 PXBUYQYUUFDPBA-XDNAFOTISA-N 357.498 2.522 0 50 FFAA Cc1cc(=O)oc2cc([C@@H]3CC(=O)NCc4nc5ccccn5c43)ccc12 65398180 CNDUAXXMUCNTCI-HNNXBMFYSA-N 359.385 2.901 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(Cc3cccc4c[nH]nc34)CC2)no1 328656357 ZGHGMSUORKUWIM-KRWDZBQOSA-N 354.458 2.741 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cn3ccccc3n2)n1C 328631336 KINISBQCTTXQGY-KRWDZBQOSA-N 351.454 2.760 0 50 FFAA Cn1cccc1[C@@H]1CCCCN1C(=O)CCn1c(=O)n(C)c2ccccc21 173546384 UCXOPMRRFYNZOX-SFHVURJKSA-N 366.465 2.822 0 50 FFAA O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@H](c2nc(O)n[nH]2)C1 329087537 VHHLIRLYAMWEDK-VIFPVBQESA-N 361.452 2.715 0 50 FFAA COc1ccc2c(c1)N(C(=O)[C@@H]1CN(c3ccccn3)C[C@H]1C)C[C@@H](C)O2 329141623 UKBQODLDNXXCGN-BFYDXBDKSA-N 367.449 2.977 0 50 FFAA Cc1nc(CC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cs1 72479904 KUXJNLYFPKFCHZ-CQSZACIVSA-N 369.450 2.845 0 50 FFAA C[C@@H]1C[C@H](C(=O)N(CCO)Cc2cccc(Br)c2)CCC1=O 331163892 RXNQNPSZWKADSL-TZMCWYRMSA-N 368.271 2.775 0 50 FFAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)NCCc1ccc2c(c1)OCCO2 363923235 SIJQZSSXGRIHBY-QGZVFWFLSA-N 370.453 2.589 0 50 FFAA C[C@@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2Br)CC1 237478702 KWUHMUPCGLHFHL-JTQLQIEISA-N 355.232 2.573 0 50 FFAA Cc1cc(C)cc(CCC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)c1 14970653 OLNQIZYSNZQSLF-HXUWFJFHSA-N 357.542 2.911 0 50 FFAA COc1ccc(/C=C/CN2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc1 72476638 PDVRLMJVHLLFEK-SUQGKYDKSA-N 369.513 2.778 0 50 FFAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1cccc(NC(=O)C2CC2)c1 369522541 YOXHLLYKARPOBH-CQSZACIVSA-N 352.438 2.566 0 50 FFAA O=C1CCc2cc(C(=O)NCCc3nc4cc(F)ccc4[nH]3)c(F)cc2N1 129000869 BRKKISBETRJHKU-UHFFFAOYSA-N 370.359 2.698 0 50 FFAA O=C(O)C1(n2cccn2)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 72453594 GHHCTWZRWAJDCB-INIZCTEOSA-N 359.426 2.794 0 50 FFAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1Cc1nnc2n1CCC2 71759769 DBTNWYQJLXTHGV-CYBMUJFWSA-N 351.410 2.544 0 50 FFAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)Cc2cccc3ncccc23)n1 72474200 ANAQDLGBSZGJEB-CYBMUJFWSA-N 368.462 2.766 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2=O)cc1 77353923 MHPQTCWCUZMVEA-KRWDZBQOSA-N 358.438 2.761 0 50 FFAA Cc1nn(C)c2ncnc(N3CCCN(CCCc4ccccc4)CC3)c12 72423651 RCQWKHCEOMIHBZ-UHFFFAOYSA-N 364.497 2.817 0 50 FFAA NC(=O)c1cccnc1N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 72410194 CKORETKLDTXNPB-GFCCVEGCSA-N 365.359 2.675 0 50 FFAA CC(=O)N(c1nc(C)c(C(=O)N=c2[nH]c3ccccc3[nH]2)s1)C(C)C 40284846 DIGJGGSZQXBYGF-UHFFFAOYSA-N 357.439 2.763 0 50 FFAA CN(CC1(CO)CCOCC1)C(=O)N[C@H](c1ccccc1)c1ccco1 426511921 ALHHXJFIEABFTM-GOSISDBHSA-N 358.438 2.800 0 50 FFAA CCc1ccc(OCCCN(C)c2cc([C@@H]3CCOC3)nc(N)n2)cc1 426641384 NXOMIAGYEWKQCB-MRXNPFEDSA-N 356.470 3.030 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)n1 426597381 JQJBHPIWEJPMRR-AWEZNQCLSA-N 365.380 2.949 0 50 FFAA CCNC(=O)[C@H](C)NC(=O)c1cccc(-c2ccc(C(=O)OC)cc2C)c1 426465533 XXNJYUVDNILABQ-AWEZNQCLSA-N 368.433 2.703 0 50 FFAA COc1cc(C)sc1C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1 82120210 PGWQGBAFSFUJRO-UHFFFAOYSA-N 358.463 2.858 0 50 FFAA Cn1ccnc1[C@H](NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1 221320604 JJLVKIWKNHXRRF-HXUWFJFHSA-N 368.481 2.809 0 50 FFAA CC[C@@H](C(=O)Nc1nccs1)n1ccc(C(=O)Nc2nccs2)n1 20617449 OLQZSBMTPHFHBS-JTQLQIEISA-N 362.440 2.638 0 50 FFAA CCCc1oncc1C(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2 82166466 MSIRUIZTBGDPAP-UHFFFAOYSA-N 371.485 2.902 0 50 FFAA COCCCCN1CCN(C(=O)Nc2ccc(-c3nc(C)no3)cc2)CC1 96148374 GUIBAIFORVZEDC-UHFFFAOYSA-N 373.457 2.621 0 50 FFAA Cc1cc(C)nc(N2CCC(NCc3n[nH]c4c3CCCCC4)CC2)n1 95386632 XRSWSXBRKDEQFV-UHFFFAOYSA-N 354.502 2.844 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)c1cccc(Cl)c1)CC2 91694822 LHFSOFQBELZKPY-QGZVFWFLSA-N 364.873 2.625 0 50 FFAA CC(C)c1nc(CN(C)C(=O)c2coc(CN3CCOCC3)c2)cs1 91382060 DZKAZNVMBPGJSX-UHFFFAOYSA-N 363.483 2.964 0 50 FFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)CCCn3ccnc3)C2)CCC1=O 91486579 RBCNBUHSUCWAQN-NRFANRHFSA-N 374.529 2.941 0 50 FFAA Cc1ccc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1N1CCNC1=O 96150724 HSONROMRVNEDMP-QGZVFWFLSA-N 369.469 2.566 0 50 FFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H]1CC(=O)OC12CCCCC2 426580650 FKAMBERGGGXZSQ-AWEZNQCLSA-N 369.421 2.560 0 50 FFAA O[C@@H]1CCCC[C@H]1n1nc(CCc2ccccc2)nc1Cn1ccnc1 91987425 KUGJIOMIYMPWTK-QZTJIDSGSA-N 351.454 2.784 0 50 FFAA Cc1noc(C)c1CCC(=O)NC1CCN(C2CCSCC2)CC1 97698604 OFKCUVPFAGVQMV-UHFFFAOYSA-N 351.516 2.700 0 50 FFAA Cc1cnc2c(C(=O)N[C@H](C)c3cnc(-c4ccncc4)nc3C)cnn2c1 92038007 ZVSWRYPTYVSKLH-CQSZACIVSA-N 373.420 2.689 0 50 FFAA CCc1oc(C(=O)N2Cc3nnc(C)n3[C@H](C)C2)cc1CN1CCCC1 96140714 FEJCEDJPQNOGCO-CYBMUJFWSA-N 357.458 2.555 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)N(C)CC1(CO)CCOCC1 96138506 VPMGXZIHKAIFFK-UHFFFAOYSA-N 356.850 2.910 0 50 FFAA CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CC(=O)OC23CCCC3)n1 97546609 PVHSHXRSYRPEOR-HNNXBMFYSA-N 374.485 2.532 0 50 FFAA OCc1ccccc1CN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95503904 HOWAQNBTTWWSDZ-LJQANCHMSA-N 366.505 2.938 0 50 FFAA CCc1nc2c(N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)ncnc2o1 91643698 DQFVJOIVURVUAB-FQEVSTJZSA-N 369.469 2.799 0 50 FFAA Cn1ccnc1[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)C1CC1 97660440 NLZCLPXTDNDBOR-OAHLLOKOSA-N 355.398 2.650 0 50 FFAA Cn1cc(Br)cc1C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 296051992 NDWFGBDVKBIFJC-LLVKDONJSA-N 370.291 2.541 0 50 FFAA O=C(Cc1nc2ccccc2[nH]1)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244595058 DNWQRSZZMDMZPB-AGKSTNPPSA-N 353.397 2.873 0 50 FFAA CC(C)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)nc(N)n1 244893051 YULVCSVYONOSNT-SFHVURJKSA-N 371.460 2.888 0 50 FFAA O=C(CCN1CCN(C2CCSCC2)CC1)Nc1cc(F)ccc1F 240128347 IQEIRJMAVMSCDH-UHFFFAOYSA-N 369.481 2.807 0 50 FFAA COc1ccc(NC(=O)CCN2CC(N3CCCC[C@@H]3C)C2)c(OC)c1 244602081 DXEAVBRTOJZCFU-HNNXBMFYSA-N 361.486 2.591 0 50 FFAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1OCCc2ccccc21 299743747 LZMGZBQTOBXXPZ-RTBURBONSA-N 364.401 2.594 0 50 FFAA COc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4)nn32)cc1 263618560 UIWBNIZLBFECAF-FQEVSTJZSA-N 362.433 2.899 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)NCCCc2c(C)n[nH]c2C)c1 534586686 CBZSZVSPVPIDRR-UHFFFAOYSA-N 364.453 2.888 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1 102334923 XOEWKCSFZZAOHN-ZNIXKSQXSA-N 362.451 2.651 0 50 FFAA CSCc1noc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)n1 299792120 FDBHPSUQKOPAAT-XHSDSOJGSA-N 372.494 2.774 0 50 FFAA CC(C)[C@@H](NC(=O)CCn1c(CO)nc2ccccc21)c1cccnc1 299773853 GIBWLSZBERKXCM-HXUWFJFHSA-N 352.438 2.827 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CN(C)c2ccccc2O1 299790046 BOEGQZMZRBDOCZ-IBGZPJMESA-N 354.454 2.534 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)c1cc(-c3cccs3)nn1C)C2 824804674 BTGFLKQUTONUIN-CYBMUJFWSA-N 369.446 2.891 0 50 FFAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1coc2cc(F)cc(F)c12 1875333768 KTJBNZWMKXZEDC-UHFFFAOYSA-N 355.304 2.821 0 50 FFAA C=CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875370806 DXMQAWJYTWRONU-GXFFZTMASA-N 357.237 2.525 0 50 FFAA O=C(O[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 873623168 SJLGKNYXXWUBOX-MSOLQXFVSA-N 350.378 2.739 0 50 FFAA O=C(c1cc2ccccc2cc1OC[C@@H]1C[N@]1CC1CC1)N1CCOCC1 1875385391 SBVNJVSFKJWGCP-CYFREDJKSA-N 366.461 2.785 0 50 FFAA CC(C)CCn1nccc1NC(=O)NCCn1cnc2sccc2c1=O 1875296329 QOZJLFOYRCICLX-UHFFFAOYSA-N 374.470 2.522 0 50 FFAA COc1c(F)cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1F 952971661 TVAJHEWHBVNOMS-UHFFFAOYSA-N 363.364 2.726 0 50 FFAA O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)N[C@@H]1CCN(C2CCC2)C1=O 888099930 FESYJSREHNPIPR-HBUWYVDXSA-N 359.445 2.914 0 50 FFAA COc1cnc(N(C)S(=O)(=O)c2ccc(SC)c(Cl)c2)nc1 170617347 OFPKFXUPLRGFFP-UHFFFAOYSA-N 359.860 2.686 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2SCC(N)=O)c1 170617455 YYCNOMXPOXDWAZ-UHFFFAOYSA-N 354.428 2.512 0 50 FFAA CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 171453697 VRKXEZUQRJURQZ-MJGOQNOKSA-N 358.482 2.672 0 50 FFAA CC(=O)N1CCC(CNC(=O)N2CCC(OCc3ccccc3)CC2)CC1 171721992 KCSLDAMZJZDXKY-UHFFFAOYSA-N 373.497 2.636 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)CCc2cc(F)ccc2F)C12CCOCC2 187139824 SFJXVENQRMRJCR-IAGOWNOFSA-N 353.409 2.988 0 50 FFAA COc1ccc([C@@H](C)NC(=O)[C@@H]2COCCN2C2CCCC2)cc1F 188461636 BZTGRKOSMMELSI-DYVFJYSZSA-N 350.434 2.655 0 50 FFAA COC(=O)COc1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1 225472189 HOVXPMMGMKIOBQ-UHFFFAOYSA-N 354.284 2.905 0 50 FFAA COc1cc(CCNC(=O)N[C@H]2CCOc3c(F)cccc32)ccc1O 190552862 WOGVWGMLYYHUQY-HNNXBMFYSA-N 360.385 2.905 0 50 FFAA CN1CCN(C(=O)CSc2nc(-c3ccc(F)cc3)cs2)CC1 194294346 HWXZXLXRWBMZBJ-UHFFFAOYSA-N 351.472 2.815 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1506403314 SZRAHICICJSPEP-ITGUQSILSA-N 359.875 2.724 0 50 FFAA CCc1nc(C)c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)o1 1704344536 SFSYWZANPXIBJP-FQEVSTJZSA-N 369.469 2.522 0 50 FFAA O[C@H]1CN(Cc2ccccc2OC2CCCC2)C[C@@H]1Cc1cnccn1 1616077306 OECIFZLJMSYOTA-PXNSSMCTSA-N 353.466 2.833 0 50 FFAA O=C(CCC(F)(F)F)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616127367 RDPSWORHLSQPKD-BBRMVZONSA-N 352.356 2.939 0 50 FFAA Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC[C@H](C3(O)CC3)C2)CC1 1772811365 TVPGOWDETMAMEG-SFHVURJKSA-N 370.493 2.611 0 50 FFAA CCOc1cc(C)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 12420631 AGYYOQRTFDJKTP-UHFFFAOYSA-N 360.479 2.905 0 50 FFAA O=C(CSc1ncccn1)N1CCC[C@@](CO)(CCc2ccccc2)C1 12466264 BBNKRVWFHGTJQJ-HXUWFJFHSA-N 371.506 2.803 0 50 FFAA CCc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 19851306 ASXVFAPMGNFRLV-UHFFFAOYSA-N 358.507 2.897 0 50 FFAA Cc1nc(-c2cnccn2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1C 169752712 GSRJHCFDFOTMGY-UHFFFAOYSA-N 369.812 2.609 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1857673370 HHLWVWNBJSLFEE-DOTOQJQBSA-N 374.444 2.806 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3nccs3)C[C@]23CC[C@H]1O3)c1ccc(F)cc1 1857732824 IRDPPPWCDNFODP-WFXMFSGNSA-N 373.453 2.696 0 50 FFAA CN1CC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)[C@H]1c1ccc(Cl)c(F)c1 248991190 YICLIJAJJYKQCX-NYUZSIGZSA-N 369.868 2.685 0 50 FFAA CNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccnc(-c2ccccc2)c1N 366333890 ZAJOWRWRJVUBBL-HNNXBMFYSA-N 368.437 2.682 0 50 FFAA COc1cccc(-c2nn(C(C)(C)C)cc2CNCc2cnn(C)n2)c1 808415432 CEFBXCKAUBAUGD-UHFFFAOYSA-N 354.458 2.732 0 50 FFAA CC(C)c1ccc2c(c1)CCCN2C(=O)c1cnn2cc(CCN)cnc12 912360238 OQTJKVZYSRUGMT-UHFFFAOYSA-N 363.465 2.947 0 50 FFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1Cl 4786666 LKVZQYSCCKHDHT-QMMMGPOBSA-N 357.193 2.515 0 50 FFAA COc1ccnc(CN(C)C(=O)c2cc(N(C)C)nc3ccccc23)c1 2100534565 NUUDXSPUKKVNRV-UHFFFAOYSA-N 350.422 2.977 0 50 FFAA CC(=O)N1CCN(Cc2ccc(NCc3ccnc4[nH]ccc34)cc2)CC1 2325753027 LQTSVHGUSASEEK-UHFFFAOYSA-N 363.465 2.839 0 50 FFAA Cn1nccc1C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)c2cc(Cl)ccc2O1 2325770098 CGQGWPZVCSDWDP-KBXCAEBGSA-N 373.840 2.641 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCS(=O)(=O)[C@@H](C)C3)cc2)c1C 2325780627 BRNYMBFMAHBRCZ-WFASDCNBSA-N 361.467 2.641 0 50 FFAA COc1cc2ncnc(N[C@H]3CCc4nnc(O)cc4C3)c2cc1Cl 2325802641 RKPZFTFSBYIMFQ-JTQLQIEISA-N 357.801 2.757 0 50 FFAA CN(CCNC(=O)CN(C)CC(C)(C)C)Cc1ccc2ncccc2c1 2325866992 HGSCCFYGNCVVTC-UHFFFAOYSA-N 356.514 2.761 0 50 FFAA CCN(C(=O)c1cnco1)[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325870659 JNTCJBFJZQXZTJ-INIZCTEOSA-N 364.405 2.600 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3cccc(O)c3)CC2)C1 2325888628 LOXJVDQXYZCPJU-GOSISDBHSA-N 356.466 2.598 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@](O)(c3ccccc3)C2)c1 1453497239 KAQSAKKFFFBCCD-NRFANRHFSA-N 350.418 2.935 0 50 FFAA O=C1C2(CCC13COC(c1ccco1)OC3)COC(c1ccco1)OC2 1195164 UIUKSSRJYQXZEJ-UHFFFAOYSA-N 360.362 2.999 0 50 FFAA CCOc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1 1477235 VOXKPGADSUYIEZ-UHFFFAOYSA-N 365.480 2.722 0 50 FFAA CCOC(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccc(Cl)cc2)CC1 6744335 BJHGQBRKEXFASB-OAHLLOKOSA-N 354.834 2.798 0 50 FFAA CNS(=O)(=O)c1ccc(CN(CCOC)Cc2ccc(C)cc2)cc1 55244630 NEIAEAKUTCGERZ-UHFFFAOYSA-N 362.495 2.552 0 50 FFAA C[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(-n2ccnc2)cc1 248153836 AYRIWSHWMKLBEV-GIVGJKMXSA-N 351.406 2.572 0 50 FFAA COc1ccccc1CN(C(=O)c1cccc(NCC(=O)O)c1)C1CC1 55042629 NAQIELODXXXNHY-UHFFFAOYSA-N 354.406 2.997 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cnc(N(C)C)s2)C[C@H]1CCO 104447830 PUBFZYXYVKXRJM-GOSISDBHSA-N 374.554 2.586 0 50 FFAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1cnnn1-c1ccccc1 65527360 JRYGWZREWDYHIW-UHFFFAOYSA-N 353.451 2.875 0 50 FFAA Cc1ccc(Oc2ncccc2CNC(=O)c2cnc3ccnn3c2C)cn1 67965501 ITDHESWZZRABOM-UHFFFAOYSA-N 374.404 2.858 0 50 FFAA CCN(CC(=O)NCc1ccc(NC(C)=O)cc1)[C@@H]1CCOC(C)(C)C1 65380691 YPCCWXGGXXOELT-GOSISDBHSA-N 361.486 2.541 0 50 FFAA O=C(c1ccc(-n2cnnc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 171234801 IDGWRIZODYHRCT-QPJJXVBHSA-N 373.460 2.739 0 50 FFAA O=C(CCn1cncn1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708522 SYXUYPMXMWBCBQ-CQSZACIVSA-N 355.225 2.575 0 50 FFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 172866031 YLFJCEQTXRFQOX-AWEZNQCLSA-N 365.905 2.708 0 50 FFAA CCN(CC(=O)NCc1ccc(NC(C)=O)cc1)[C@H]1CCOC(C)(C)C1 65380693 YPCCWXGGXXOELT-SFHVURJKSA-N 361.486 2.541 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@H](C)[C@@H]3C(=O)NC[C@H]32)c1 230063883 MPGZXQHRLFNTMD-YJLNNSPDSA-N 370.474 2.730 0 50 FFAA Cc1n[nH]c(CCC(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1C 11663192 GNKIPPTZPYAHTJ-LJQANCHMSA-N 366.509 2.707 0 50 FFAA CN([C@H]1CCO[C@@H]1c1cccnc1)S(=O)(=O)C[C@H]1CCCC1(F)F 333102528 QFEQTFSOTAMTTI-QLFBSQMISA-N 360.426 2.609 0 50 FFAA CC(C)CO[C@@H]1C[C@H](OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C1(C)C 252585217 HBOULDYCJPSHHO-MOROJQBDSA-N 355.500 2.823 0 50 FFAA CC(C)CO[C@@H]1C[C@H](OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C1(C)C 252585218 HBOULDYCJPSHHO-ZUMXRPEOSA-N 355.500 2.823 0 50 FFAA O=C(c1cc(CN2CCC(O)CC2)on1)N1CCC(c2ccccc2)CC1 67883456 RDPCRUKCJUEIGK-UHFFFAOYSA-N 369.465 2.651 0 50 FFAA CCOC(=O)c1cc(C(=O)Nc2ccccc2Br)nn1C 1012054 RZEDJGGLNPFBHD-UHFFFAOYSA-N 352.188 2.612 0 50 FFAA COc1ccc(C2=NO[C@@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC 4035085 AQCIVZDKBXCLRQ-GOSISDBHSA-N 358.369 2.652 0 50 FFAA Cc1cnc([C@H](NS(=O)(=O)c2cccc3c2OCCO3)C2CC2)s1 173485897 USFMRVXFQYBUQI-CQSZACIVSA-N 366.464 2.652 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCOC4(CCOCC4)C3)[nH]n2)s1 77519774 NGZRMPVVJWNKLR-ZDUSSCGKSA-N 361.467 2.905 0 50 FFAA COc1cc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc(OC)c1 39538019 SIEPOPAEBSPSHB-QGZVFWFLSA-N 350.503 2.619 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)Nc3ccc(F)cc3)ncn2)c1C 72441752 FJCKYPAYWPVUON-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA COc1cc(-c2noc([C@@H]3CCN(C(C)=O)C3)n2)cc(Cl)c1OC 331611678 RTONRVYFMJAEKE-SNVBAGLBSA-N 351.790 2.743 0 50 FFAA CCc1ccc([C@H](COC)NC(=O)NCc2ccc(-n3ccnc3)nc2)o1 363326048 PBLMMYJWYNZCJQ-INIZCTEOSA-N 369.425 2.610 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1c[nH]nc1-c1nccs1)CO2 446607643 YWGYCDKZBSCYMW-NSHDSACASA-N 356.407 2.732 0 50 FFAA O=S(=O)(c1ccc(F)cc1F)N1CCCC[C@H]1CCn1cccn1 77472304 VZXXSRMYDPGXJH-AWEZNQCLSA-N 355.410 2.795 0 50 FFAA C[C@@H](C(=O)N[C@@H](CO)CC(C)(C)C)n1c(S)nnc1-c1cccs1 129009827 LZDICDYTXRCLHL-WDEREUQCSA-N 368.528 2.770 0 50 FFAA COc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)ccc1C 284558143 IUGOZJDJIGEKSN-QFBILLFUSA-N 356.470 2.550 0 50 FFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCCC(C)(C)C)CO2 71762588 WZMSMFVTHPZFSB-OAHLLOKOSA-N 361.486 2.528 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)c2ccccc2)CC1 77457561 QCEWIDWPWFPWBW-UHFFFAOYSA-N 367.497 2.821 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)no2)n1C 369610336 ABOVSLGMDKJFSY-HNNXBMFYSA-N 356.426 2.618 0 50 FFAA COCc1ccccc1S(=O)(=O)NCc1ccnc(C(F)(F)F)c1 451742573 BKEYARXMGPWSSD-UHFFFAOYSA-N 360.357 2.725 0 50 FFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(N2CCCC2=O)cc1 262506704 JFGUXIAGXQJTAY-LJQANCHMSA-N 364.401 2.638 0 50 FFAA COc1coc(C(=O)Nc2nn(C)c3cccc(OC(C)C)c23)cc1=O 77320060 YQYBTXIZLRMQIG-UHFFFAOYSA-N 357.366 2.575 0 50 FFAA COCCCN1C[C@@]2(CCCN(Cc3nccn3C(C)C)C2)CCC1=O 77378470 RDELLIAVQYKDOR-FQEVSTJZSA-N 362.518 2.705 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCCc3noc(C4CCC4)n3)n2)c1 77538910 RPYNVHMLZNYNLT-UHFFFAOYSA-N 366.381 2.542 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)c3ncccc3OCC(F)(F)F)C2)n1 176974604 ZRQGKJIHWGKXDC-NSHDSACASA-N 370.331 2.734 0 50 FFAA CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)NC2CC2)C1 17074924 ZOEYPJUIASTGSK-SNVBAGLBSA-N 364.467 2.959 0 50 FFAA CC(=O)N(Cc1ccc(NC(=O)c2cc(C(=O)O)ccn2)cc1)C(C)C 263426957 RLVMAVTYYTTYHI-UHFFFAOYSA-N 355.394 2.789 0 50 FFAA COc1ccc(CN(C)C(=O)NCCc2c(C)n[nH]c2C)c2cccnc12 426473674 SMKPOIKGQAZYRR-UHFFFAOYSA-N 367.453 2.967 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3ccc(C(C)=O)s3)c2)C1 426668446 RZFWSSAPTWUSDY-MRXNPFEDSA-N 356.447 2.968 0 50 FFAA C[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 426652010 PLUGUSUTHGJYQV-LBPRGKRZSA-N 360.360 2.916 0 50 FFAA CCSc1nc(CC(=O)N2CCC(c3ccnc(N)n3)CC2)cs1 221173547 LOYAGVFZQUWWDV-UHFFFAOYSA-N 363.512 2.576 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)N(C)C1CCN(C)CC1 426726892 OAAFZUAWAOHFQF-UHFFFAOYSA-N 373.476 2.864 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1ccc2sccc2c1 426538476 VPCYVSKPFINSEV-INIZCTEOSA-N 354.479 2.881 0 50 FFAA CC[C@H](C)[C@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(=O)O 426537834 ZAROSYHIWRGMMJ-IGHXGINGSA-N 359.470 2.526 0 50 FFAA Cc1nnc(SCCCNC(=O)c2cc(=O)[nH]c3ccccc23)s1 91973973 GWQBQOYDNPICJL-UHFFFAOYSA-N 360.464 2.600 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1SC)CC2 95508927 DWBADHXTQZGTEO-UHFFFAOYSA-N 371.510 2.536 0 50 FFAA CCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C2CCC2)cc1 180909568 DYEODVYJCGSQLA-KRWDZBQOSA-N 350.484 2.954 0 50 FFAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1ccc(Cl)c(Cl)c1 426386864 GULHXSNZRVTXRS-CYBMUJFWSA-N 367.280 2.973 0 50 FFAA CCOc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cn1 181191773 ZCFYWTJZONNDFH-UHFFFAOYSA-N 350.415 2.973 0 50 FFAA O=C(NCc1cc(-c2ccccn2)no1)[C@H](c1cccnc1)N1CCCC1 95378074 RDLRFTXFDICNIB-IBGZPJMESA-N 363.421 2.585 0 50 FFAA O=C(CCCc1cn[nH]c1)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95353561 QLLOGCFSZZKNNE-AZUAARDMSA-N 370.472 2.995 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)[nH]n1 91877114 VCQKJAQKBDQWNJ-UHFFFAOYSA-N 353.401 2.517 0 50 FFAA C[C@@H](CCN1CCC2(CCC(=O)N(CC(=O)O)C2)CC1)c1ccccc1 91289427 CKSQJLYYTKWPEB-KRWDZBQOSA-N 358.482 2.969 0 50 FFAA CCCN(Cc1nccn1C)C(=O)Nc1ccc2c(c1)O[C@H](C)C(=O)N2C 96180952 SELFJWRPJKGFHB-CYBMUJFWSA-N 371.441 2.608 0 50 FFAA O=C(CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccncc2)C1)c1ccc(F)cc1 91304450 ZADLIZBRYQVVKS-DLBZAZTESA-N 370.380 2.510 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCn2ccnc2)C1 91444822 NHQGQKCXDJZMGN-FQEVSTJZSA-N 355.438 2.873 0 50 FFAA Cc1c(C(=O)N2CCC(N3CCSCC3)CC2)c2cc(O)ccc2n1C 97568810 VFSVOVKDVIXVJI-UHFFFAOYSA-N 373.522 2.846 0 50 FFAA O=C(COCc1nc2ccccc2[nH]1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244795902 RPNPKLNJYNWQTO-QUJCMNEKSA-N 371.462 2.769 0 50 FFAA FC(F)(F)c1cc(Sc2nnc3n2CCCCC3)n2ncnc2n1 298741075 XYVDPHCSFQJAMM-UHFFFAOYSA-N 355.349 2.612 0 50 FFAA C[C@H]1CCCCN1C1CN(Cc2cc(Cl)ccc2OCC(=O)O)C1 252499378 RZSWMPNOQUUTEK-ZDUSSCGKSA-N 352.862 2.862 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N[C@@H](c3nccn3C)C(C)C)c2c1 252495651 OVAHZSCFACGIJB-QGZVFWFLSA-N 356.426 2.540 0 50 FFAA O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 102753916 NMKPSDXXXDHIAB-FVQHAEBGSA-N 350.422 2.541 0 50 FFAA O=C(c1ccco1)N1CCCN(c2nccc(CCC(F)(F)F)n2)CC1 71736083 OOUCVAAGTFJZHC-UHFFFAOYSA-N 368.359 2.917 0 50 FFAA Cc1nc2c(c(N3CCC([C@H](O)CCc4ccccc4)CC3)n1)CNC2 72145578 YDSSODSKXLEKPT-HXUWFJFHSA-N 352.482 2.598 0 50 FFAA CCCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)o1 299771455 XLXQEPVOQGMWFE-UHFFFAOYSA-N 352.442 2.847 0 50 FFAA CC[C@H](NC(=O)Nc1ccc(C(=O)NCCOC)cc1)c1cccnc1 299766762 LCHJSFCXIHYJTC-KRWDZBQOSA-N 356.426 2.731 0 50 FFAA COc1ccc([C@]2(C(=O)N3CCC4(CC3)COC(=O)O4)CC2(C)C)cc1 299788317 RSIZLNNXMWUFCG-FQEVSTJZSA-N 359.422 2.891 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCC(=O)Nc1cccc(O)c1 827984532 VNTCJYGFKMQFSG-INIZCTEOSA-N 358.442 2.539 0 50 FFAA Cc1ccc(-c2ccnc(-c3cccc(C(=O)N4CC[C@@H](N)C4)c3)n2)c(C)n1 584887334 GOXRSKDMUDGIMZ-GOSISDBHSA-N 373.460 2.996 0 50 FFAA O=S(=O)(c1ccccc1)N(CCOc1ccccc1)C[C@@H]1CCCO1 828391852 LJQJQUPIFFLYPI-SFHVURJKSA-N 361.463 2.935 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N(C)Cc3nn(C)cc3Cl)ccc21 1875371873 OLNALZZEOKXJAB-UHFFFAOYSA-N 372.856 2.811 0 50 FFAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)C[C@H](O)c1nn(C(C)C)cc1O2 1875394273 BWVSSBHAXOQHFM-HNNXBMFYSA-N 358.442 2.591 0 50 FFAA CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)Nc2ncc(Cl)cc2O)C1 1875344458 LGNXMDLIGPLICQ-LLVKDONJSA-N 359.785 2.584 0 50 FFAA CCCC1(C(=O)N[C@@H]2CN(C(=O)Cc3cnco3)[C@H]3CCCC[C@@H]23)CC1 1875407672 FTFXLGYZMZOINR-BBWFWOEESA-N 359.470 2.683 0 50 FFAA O=C(NC1(c2ccccc2)CC(F)(F)C1)[C@H]1OCCO[C@H]1C(F)(F)F 1875404583 NNWQQVPRPWJQHX-NWDGAFQWSA-N 365.298 2.774 0 50 FFAA COc1ccc(CN[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)c(Cl)c1 888097768 OIZBFGBHEFIWMZ-MKXGPGLRSA-N 352.906 2.918 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)[nH]1 1565511814 XYONFVVNJPDZKK-WMZOPIPTSA-N 367.497 2.884 0 50 FFAA O=C(CCc1ccccc1F)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565511483 VRRRCTWYIMYSSJ-IRXDYDNUSA-N 364.442 2.705 0 50 FFAA COc1ccc(C2(C(=O)N3CCc4[nH]ncc4C3)CCCC2)cc1OC 271948874 BRNZXBIDQAGOFJ-UHFFFAOYSA-N 355.438 2.824 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1 166818739 KPBVWTBBIZQQMB-KRWDZBQOSA-N 364.449 2.797 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1ccon1)CC2 275492031 AOHODVOJJILUTL-MRXNPFEDSA-N 359.451 2.780 0 50 FFAA CC(C)c1nc(C(=O)NCC2=CCNCC2)nn1-c1ccccc1Cl 186275457 DNXYXGHIFOXJBE-UHFFFAOYSA-N 359.861 2.694 0 50 FFAA CC1(CNC(=O)CCCOc2ccccc2Br)OCCCO1 170612283 YVYOBMLRCKZRTG-UHFFFAOYSA-N 372.259 2.877 0 50 FFAA O=C(Nc1cc(Br)c[nH]c1=O)C(=O)c1ccc(Cl)cc1 171282598 NEZORDAPFZTTDZ-UHFFFAOYSA-N 355.575 2.612 0 50 FFAA COC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)c(F)c1 110297796 PFYHREBABZYOLK-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA O=C(c1ccc(Cl)o1)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1 780006359 JSJXTOGGVLGSJB-AWEZNQCLSA-N 362.817 2.537 0 50 FFAA Cc1ccc(-c2nc(CN3CC[C@@]4(CO)CCCN[C@@H]4C3)c(C)o2)cc1 1704324706 DJZFXQOPWIJOKF-TZIWHRDSSA-N 355.482 2.895 0 50 FFAA CC(C)n1nccc1C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704355640 VKGLHIFHYYJUBE-APWZRJJASA-N 364.449 3.000 0 50 FFAA CC(C)n1cc(CN2C[C@@H]3OC(=O)N(CCc4ccc(F)cc4)[C@@H]3C2)cn1 1615633313 BEVMWAQLTBKAQL-MOPGFXCFSA-N 372.444 2.851 0 50 FFAA CCOc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1CO 1772809972 BIQXLGVPGQCICP-UHFFFAOYSA-N 363.417 2.716 0 50 FFAA Cc1cc2occ(CC(=O)N3CCC([C@@H](O)CO)CC3)c2cc1Cl 1772712660 VTPZQWDAIMASEI-INIZCTEOSA-N 351.830 2.529 0 50 FFAA CCc1nccn1CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 11662191 QTXDZLDBNYYXNW-IBGZPJMESA-N 354.498 2.659 0 50 FFAA O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@@H](CCCO)C1 14974739 DIEIAYCRUMLTNC-AWEZNQCLSA-N 362.861 2.605 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCOCC2)cc1 19334268 OYXIJWPQSSWQBO-UHFFFAOYSA-N 354.406 2.542 0 50 FFAA CCn1ccnc1CNC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccncc1 1857701002 KFIODMBOPMIPTB-WAOWUJCRSA-N 367.497 2.748 0 50 FFAA O=C(C[C@H]1CCCCC(=O)N1)NCc1ccc(COCC(F)(F)F)cc1 225571714 TUSZUSJKHAGBGA-OAHLLOKOSA-N 372.387 2.831 0 50 FFAA CC[C@H](C)[C@H](NC(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)O 236990693 LYYQMWIQKAKXBA-XSWJXKHESA-N 362.470 2.525 0 50 FFAA Cc1cn2cc(C(=O)N[C@H]3CCN(C)C[C@H]3Cc3ccccc3)ccc2n1 248106194 FZOIPELOXHBPDT-UXHICEINSA-N 362.477 2.936 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2 901495374 DQWSSQJOZBPUNG-ZWKOTPCHSA-N 356.466 2.754 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)c(Cl)c1 926152887 LXFAWSHCVHBHTI-VXNCWWDNSA-N 350.890 2.858 0 50 FFAA O=C(NC1(CO)CC1)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 935067495 GAVJEDSFAVJWFK-UHFFFAOYSA-N 373.762 2.858 0 50 FFAA COC(=O)COc1cc2c(C(=O)OC)c(C)oc2cc1Br 623725 RNNPBJUDIDUVJK-UHFFFAOYSA-N 357.156 2.842 0 50 FFAA biogenic O=C1Nc2ccc(F)cc2[C@H]1CC(=O)N1CC[C@@H](c2cccc(O)c2)C1 2325773628 DJRVZVHGGZLUDJ-CXAGYDPISA-N 354.381 2.973 0 50 FFAA Cc1nnnn1-c1cc(F)cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 2325779484 IYPSZPDWPUQKON-AWEZNQCLSA-N 369.375 2.879 0 50 FFAA CCOC(=O)c1c(NC(=O)CCC(=O)OC)sc2c1CC(C)(C)OC2 866577 FKBZSDUNXMTHMO-UHFFFAOYSA-N 369.439 2.668 0 50 FFAA CCN(CC)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 904538 HVCJCKKYROLLBP-UHFFFAOYSA-N 350.422 2.881 0 50 FFAA CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(Br)c1 1060975 CSYLDQZLTFDEBV-GFCCVEGCSA-N 356.216 2.625 0 50 FFAA CCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 1110670 FWUXGHDSUCMRBM-UHFFFAOYSA-N 361.467 2.501 0 50 FFAA CCc1csc([C@H]2CCCN(C(=O)NCc3nnc4n3CCCC4)C2)n1 113597341 GCULQKLYHIMCBF-ZDUSSCGKSA-N 374.514 2.723 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)NCCCOc2cccnc2)n1 55340922 BKUFYEHEVAEQSK-UHFFFAOYSA-N 366.421 2.958 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCCc1nc(-c2ccccc2C)no1 55325026 APGSNBLJFNMAFN-MRXNPFEDSA-N 356.470 2.968 0 50 FFAA CC(=O)OCc1c(C)cc(C)c(CNCCNC(=O)c2ccncc2)c1C 55099291 XEGSYCHJWVBYIP-UHFFFAOYSA-N 369.465 2.590 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@]2(C)CCN(C)C2)no1 67934515 JAQQSNSPRJIDNU-OAQYLSRUSA-N 370.497 2.720 0 50 FFAA CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2snnc2C)s1 20472230 JPXZQVXOPHJIIH-SNVBAGLBSA-N 350.469 2.635 0 50 FFAA Cc1cc(-c2nc(C(C)C)nn2-c2ccccn2)cc(S(N)(=O)=O)c1C 65452360 MSFFTCMSYRHXID-UHFFFAOYSA-N 371.466 2.717 0 50 FFAA O=C(NCCCc1ccccn1)c1ccc(NC[C@@H]2CCCCO2)nc1 67974030 RGIUMFIOKREMPZ-SFHVURJKSA-N 354.454 2.820 0 50 FFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)CC[C@H]1CCCOC1 328638600 PGENWUIWMXHJPL-CVEARBPZSA-N 351.516 2.596 0 50 FFAA CC(=O)c1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)cc1 1003243 SWTNIWJSQVINFJ-UHFFFAOYSA-N 350.831 2.711 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 128085599 UPURDOIETFNPFP-MRXNPFEDSA-N 359.393 2.720 0 50 FFAA COCCNC(=O)c1ccc(-n2ccnc2-c2cccc(O)c2)c(C)c1 77407526 BXIJZAZTMDOEQH-UHFFFAOYSA-N 351.406 2.930 0 50 FFAA CC(=O)c1cccc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1 77553545 QTFUPGMJNUHOIU-UHFFFAOYSA-N 354.381 2.513 0 50 FFAA O=C(c1cc2ccccc2s1)N1CCC(C(=O)O)(n2cccn2)CC1 72480244 LTRVGPWTGHMRRK-UHFFFAOYSA-N 355.419 2.814 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)n1C 72440445 DHCXZECROIGVNM-LBPRGKRZSA-N 368.407 2.675 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cncnc3-c3ccccc3)CC2=O)o1 368765267 NFWOPOILZFXHSB-UHFFFAOYSA-N 362.389 2.534 0 50 FFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 333803156 DTJXPEZXBYWGMJ-XLNGHYISSA-N 373.501 2.980 0 50 FFAA C[C@@H](CC(=O)N1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1)c1ccccc1 71776515 NCJZDFGNIHNDEQ-HNNXBMFYSA-N 374.444 2.910 0 50 FFAA Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@@H](C(=O)O)C1 237604153 KNDRBDVDQSWSEM-GFCCVEGCSA-N 365.792 2.579 0 50 FFAA Cn1c2ccccc2c2cc(CC(=O)N3CCOC[C@@H]3CC(=O)O)ccc21 72426310 UWUFSMTXGNCGJA-HNNXBMFYSA-N 366.417 2.576 0 50 FFAA CN(C)CCCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O 215443175 TWFYETLZRGJVQQ-FQEVSTJZSA-N 362.514 2.523 0 50 FFAA CCc1nc2c(N3CCC[C@]4(CCC(=O)N(C(C)C)C4)C3)ncnc2o1 77287656 NJCZGXJEJOYZTH-IBGZPJMESA-N 357.458 2.798 0 50 FFAA O=C(N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 189031912 MUFSPHWLRHMHLI-XJKSGUPXSA-N 360.360 2.569 0 50 FFAA Cc1csc(CN2CCC(C(=O)O)(n3cnc4ccccc43)CC2)n1 72463192 XQTVOBFFRYEVJQ-UHFFFAOYSA-N 356.451 2.877 0 50 FFAA COc1cccc(-c2ccc(C(=O)N(C)C[C@H]3CC(=O)N(C)C3)cc2)c1 219415996 PLNGDYQGRARDTN-HNNXBMFYSA-N 352.434 2.913 0 50 FFAA COc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)N3CCCC3)c2)c1 71708079 LDDZRQJWIFSFRC-UHFFFAOYSA-N 361.419 2.845 0 50 FFAA COc1ccc(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)cc1 72156067 OOVOKRQRGBYTJO-UHFFFAOYSA-N 368.481 2.896 0 50 FFAA CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2 132851869 DIDMEZDEPQLWBX-ROUUACIJSA-N 371.481 2.944 0 50 FFAA CCOC(=O)C1=CN(Cc2ccccc2)S(=O)(=O)N=C1c1ccccc1 221641361 YOJUMNVBCFFKPG-UHFFFAOYSA-N 370.430 2.683 0 50 FFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 82106444 MLLAXQLTVDVNCQ-CYBMUJFWSA-N 351.410 2.536 0 50 FFAA NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3cc(F)c(F)cc3O)c2)C1 426503100 GQWNHDWRBHZTQL-CYBMUJFWSA-N 360.360 2.675 0 50 FFAA COCC1(NC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)CCCC1 426495590 JBTUACLHMRMFSE-UHFFFAOYSA-N 354.454 2.899 0 50 FFAA Cc1cccc(C(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)c1 20407986 JIPFFCUKLLAJCT-UHFFFAOYSA-N 356.426 2.586 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 47977402 RLFVFCJELSCTTN-UHFFFAOYSA-N 354.248 2.781 0 50 FFAA O=C(Nc1cnn(Cc2ccncc2)c1)C1(c2ccccc2)CCNCC1 178749814 UJTBYZYKEMPBJM-UHFFFAOYSA-N 361.449 2.586 0 50 FFAA CC(C)N1C[C@@]2(CCCN(S(=O)(=O)Cc3ccccc3)C2)CCC1=O 82087120 GPZDFMXONRBURY-IBGZPJMESA-N 364.511 2.629 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CCC[C@H]2C[C@@H](C)O)CC1 179008682 KXNIWXTYILEWFC-WBVHZDCISA-N 361.486 2.609 0 50 FFAA CN(C)c1nnc(-c2ccc(NC(=O)NCCc3cscn3)cc2)o1 162204208 JKZACMNNGLRRAR-UHFFFAOYSA-N 358.427 2.623 0 50 FFAA NC(=O)c1ccc(OCC[C@H](O)N2CC=C(c3ccc(F)cc3)CC2)cc1 25759131 LDKDSVXYORIIBQ-FQEVSTJZSA-N 370.424 2.801 0 50 FFAA biogenic Cc1ccc2nc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cn2c1 91830398 CXUXDNWVHORREN-OAHLLOKOSA-N 360.421 2.705 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)NCc1nnc2n1CCCCC2 96141000 PMSRFTSUEROWEO-UHFFFAOYSA-N 357.462 2.946 0 50 FFAA Cn1c(=O)oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc21 96165880 DVKKHOHMYXIROZ-HNNXBMFYSA-N 370.409 2.683 0 50 FFAA CC(C)C[C@@H](O)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91563101 LLLDZEJMFMMJAD-LJQANCHMSA-N 372.509 2.825 0 50 FFAA C[C@]1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1 91756322 CDPPXCSSHXEROL-NRFANRHFSA-N 366.465 2.507 0 50 FFAA CC(C)[C@H](CC(=O)O)NC(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 426573159 NSEBKMJLGMHNGU-INIZCTEOSA-N 362.405 2.652 0 50 FFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[C@@H]3CCCC[C@H]3C1)C2=O 239297046 DPRSGOWJHHDXSX-OLPIVMHESA-N 361.486 2.526 0 50 FFAA COc1ccc2c(c1)CCN([C@@H]1c3ccccc3C3(CCNCC3)[C@H]1O)C2 23580836 KYHOQHPMFULQDN-YADHBBJMSA-N 364.489 2.790 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(c3nnc(C(C)C)s3)C[C@H]21 95499598 RBGDTZDNDVCMOR-RDTXWAMCSA-N 361.467 2.645 0 50 FFAA O=C(O)c1cccc(C[C@H]2CCN(C(=O)c3scc4c3OCCO4)C2)c1 95383892 CIKHBBQMMGCMPA-CYBMUJFWSA-N 373.430 2.922 0 50 FFAA COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(OC)cc1Cl 239125143 JZSBZZLZXMBWTG-PVFTVIPPSA-N 351.786 2.819 0 50 FFAA O=C(c1cscn1)N1CCC(c2nccn2Cc2ccccn2)CC1 91625355 ZNBQFHWFNWDHBX-UHFFFAOYSA-N 353.451 2.803 0 50 FFAA Cc1nn(C)c2nc(NCCN3N=C(c4ccccc4)CCC3=O)sc12 96164134 XDAXEXLDUBJROV-UHFFFAOYSA-N 368.466 2.777 0 50 FFAA COCCCN1CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)CC1=O 95375986 JDYXJYMQOCOUHL-UHFFFAOYSA-N 370.902 2.893 0 50 FFAA COc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)ncn1 95353989 ZMKSLJBSVGQARM-ZDUSSCGKSA-N 356.455 2.571 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC(CCn2cccn2)CC1 91756333 NHLXMDRETMVUQS-UHFFFAOYSA-N 362.437 2.678 0 50 FFAA CSCC[C@H](CO)NC(=O)[C@@H](C)c1ccc(C[C@H]2CCCC2=O)cc1 252510398 ZJHOROWWXDFDEV-BMGDILEWSA-N 363.523 2.932 0 50 FFAA Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2[nH]1 534649800 FRFHTCTUTLJYIB-UHFFFAOYSA-N 361.445 2.891 0 50 FFAA COc1ccc(CN2CCN(C(=O)N[C@H](C)C3=CCCCC3)CC2=O)cc1 534581455 BMQNIBARQSVXCT-MRXNPFEDSA-N 371.481 2.938 0 50 FFAA COCc1c(C(=O)O)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 299780698 LCMYNKDOKALBEY-UHFFFAOYSA-N 350.378 2.663 0 50 FFAA Cc1ccc(-n2nc(C)cc2NC(=O)NCCCN2CCCC2=O)cc1 299760078 QMQNXLJUCCOPDF-UHFFFAOYSA-N 355.442 2.623 0 50 FFAA COc1cccc(-c2cccc(C(=O)N(C)C[C@@H](C)N3CCOCC3)c2)n1 299778677 NTXXYEVLWMYERX-MRXNPFEDSA-N 369.465 2.550 0 50 FFAA CC(C)[C@H](NC(=O)CCn1c(CO)nc2ccccc21)c1cccnc1 299773848 GIBWLSZBERKXCM-FQEVSTJZSA-N 352.438 2.827 0 50 FFAA CC(C)(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)cs1)c1cccnc1 826848974 DGTYMTHBTDNNKM-CYBMUJFWSA-N 367.496 2.698 0 50 FFAA O=C(O)[C@]1(C(=O)NCc2nc3c(s2)CCCC3)C[C@@H]1c1ccccc1 907564275 CBNVDYKYDHXDAX-BFUOFWGJSA-N 356.447 2.897 0 50 FFAA FC(F)(F)c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1 270991148 WXUZITGLRMONBW-UHFFFAOYSA-N 366.372 2.827 0 50 FFAA O=C1CCC[C@H]1[C@@H]1CCCN1C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 270992978 XBIXIMVGRUQWHK-WMZOPIPTSA-N 367.449 2.525 0 50 FFAA CC(C)Cn1cc(S(=O)(=O)Nc2ccc(Cn3cccn3)cc2)cn1 1875290762 CDKWVKZCXJVQDE-UHFFFAOYSA-N 359.455 2.585 0 50 FFAA C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 1875255988 OMMPXLSQSSMMJY-PBHICJAKSA-N 370.415 2.960 0 50 FFAA O=C(O)C[C@@H](CCc1ccccc1)NC(=O)C[C@@H](O)Cc1ccccc1 1875277687 YPAKFBBOUROKHO-MOPGFXCFSA-N 355.434 2.572 0 50 FFAA CCOc1ccc(CC(=O)N2CCC[C@@]23CCC[S@](=O)(=NC)C3)cc1 1875395815 MTCJPSYYSDETGE-UQBPGWFLSA-N 364.511 2.881 0 50 FFAA Cc1ccccc1CC[C@H](C(=O)N[C@H](C)[C@@H](O)C(=O)O)c1ccccc1 1875311154 ORTQPRQKVTXEOV-AYOQOUSVSA-N 355.434 2.662 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2scnc2C)C1 1875383002 AZUJADNQVASUPA-GLRZTSSQSA-N 355.463 2.584 0 50 FFAA O=C(N[C@H]1CC[C@@H](OC(F)F)C1)N1CCN(Cc2cccc(F)c2)CC1 1875363378 FSJVWZGMWKRHSU-JKSUJKDBSA-N 371.403 2.813 0 50 FFAA O=C(Cc1cc[nH]c1)N1CC[C@@]2(CCCCN(C(=O)[C@@H]3CC34CC4)C2)C1 1875404932 CUNQQKPZAHQKCB-PXNSSMCTSA-N 355.482 2.589 0 50 FFAA Cc1ccncc1[C@@H](C)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 888078284 GLOYUKPJVGGLKL-LSBZLQRGSA-N 353.470 2.669 0 50 FFAA COC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1772715721 AKIAOSUJLWPIES-UHFFFAOYSA-N 353.374 2.721 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 897730036 IWZLNPIFCWXPLP-HXUWFJFHSA-N 362.437 2.846 0 50 FFAA Cc1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565513106 ICZIXRPGQXAPDN-MOPGFXCFSA-N 371.506 2.675 0 50 FFAA COc1cccc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)c1 1565527915 NNGASGHCBFXGRX-MSOLQXFVSA-N 366.465 2.545 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2 275712845 OFEWEELZOJBUJB-IAGOWNOFSA-N 362.495 2.657 0 50 FFAA C[C@H]1CCCN(c2ccccc2OCc2nnnn2CC2CCOCC2)C1 277571613 SUYNBWSJOXTTCN-INIZCTEOSA-N 371.485 2.915 0 50 FFAA C[C@@H]1CN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)c2cccnc2O1 189587514 HZUDUCWKWKQZTE-LLVKDONJSA-N 355.785 2.743 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)Cc1cccc(Cl)c1)C2 216486222 OYTJJBBPTQMKGB-ZBFHGGJFSA-N 370.902 2.503 0 50 FFAA COCCCN1C(=O)CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3C)CC[C@@H]21 219376609 DVBMLVIJCDIERX-QUCCMNQESA-N 372.509 2.722 0 50 FFAA Cc1nc(N2CCCC2)nc(N[C@@H]2COC[C@H]2Cc2ccncc2)c1C 1704301400 XTVKYUCBODJPCP-QZTJIDSGSA-N 353.470 2.758 0 50 FFAA O=C(O)[C@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CC12CCOCC2 1775978403 SJMZKLSIYGSLIZ-CQSZACIVSA-N 371.355 2.588 0 50 FFAA CN(C[C@@H]1CCCCN1C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 11820214 PABZBVGAEKHZTG-SFHVURJKSA-N 365.481 2.969 0 50 FFAA COc1ccc(CCN2C(=O)O[C@@H]3CN(C4CCSCC4)C[C@@H]32)cc1 12053453 UFJDUAUIQACLFG-ZWKOTPCHSA-N 362.495 2.638 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1CCCn1cccn1 12754203 YJJOZTFLHNXDDY-IBGZPJMESA-N 364.453 2.562 0 50 FFAA COCCCN[C@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl 19315537 PHZNVZQXTLLUPY-CYBMUJFWSA-N 369.676 2.747 0 50 FFAA CCOc1ccccc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 19868571 WEKHPENLGPOAOT-UHFFFAOYSA-N 374.506 2.733 0 50 FFAA COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)cc1C 19929005 ZWBZJSRTPMSPRE-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA CN(C)C(=O)c1ncoc1[C@@H]1[C@H]2C[C@H]1N(C(=O)CC(C1CC1)C1CC1)C2 1857528870 KMXHOGAFWOCNGT-YSVLISHTSA-N 357.454 2.517 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1csc(-c3ccccc3)n1)C2 1857671046 MXULNOPHUIINKV-GOSISDBHSA-N 357.435 2.867 0 50 FFAA CCCCCc1nc(-c2cc3n(n2)CCN(C)C3=O)n(CC(F)(F)F)n1 1857673305 SJWQWIWZJWSWLC-UHFFFAOYSA-N 370.379 2.522 0 50 FFAA COc1cccc(CN2CCC3(CC2)CN(CC2CC2)C[C@@H]3C(=O)O)c1 1857702558 NTTUVOVBPFAREF-LJQANCHMSA-N 358.482 2.704 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H]1C[C@@H]3CC[C@H]1O3)CC2 1857707792 KNKRPUWGJJHRBH-VDZJLULYSA-N 351.450 2.582 0 50 FFAA O=C(O)c1cccc(N2CCC3(CCc4c(O)nc(C5CC5)nc43)CC2)n1 1857715618 ZZIOPQFPCGMPTB-UHFFFAOYSA-N 366.421 2.637 0 50 FFAA COc1c(F)cccc1C(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1ccccc1 1857721605 XWXZQGFKWTWJTE-OALUTQOASA-N 372.440 2.978 0 50 FFAA Cc1nsnc1C(=O)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857721863 JHFYTQOQLXKBEH-WMZOPIPTSA-N 372.494 2.525 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N[C@H]1C[C@H]3CO[C@H](C(C)C)CN3C1)n2C 1857729408 ZMIJWCXMBNZFTI-ZWOKBUDYSA-N 355.482 2.714 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccccn3)C1)CC2 1857731214 CTKAVISLNCQRQB-NRFANRHFSA-N 366.465 2.995 0 50 FFAA Cc1oc(C(=O)N(CC(=O)O)C2CCOCC2)cc1COc1ccccc1 408513336 UBIDDPMTWNRUBO-UHFFFAOYSA-N 373.405 2.873 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 222175390 UMSKZAWYHOKQGQ-UXHICEINSA-N 365.477 2.843 0 50 FFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2Nc2nn3cc(C(C)(C)C)nc3s2)cn1 328625485 KUNJSJARIYNZFG-RISCZKNCSA-N 373.486 3.094 0 50 FFAA Nc1nccc([C@@H]2CCCN(C(=O)c3coc(C4CCCCC4)n3)C2)n1 329126255 YKHUVWHAHXEIJB-CQSZACIVSA-N 355.442 3.114 0 50 FFAA C[C@H]1CN(Cc2ccc(C(=O)NC(C)(C)CCC(=O)O)cc2)C[C@@H](C)O1 237675885 WYIGWZOGMRCHRH-GASCZTMLSA-N 362.470 2.669 0 50 FFAA O=C(NC[C@@H]1CCOc2ccccc21)N1CCC(N2CCCCC2=O)CC1 132660403 DLONNYMSUQGVRU-INIZCTEOSA-N 371.481 2.739 0 50 FFAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cn1ccc2ccccc21 247799010 DXTCKMWBZYPRNN-APWZRJJASA-N 365.477 2.891 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)n1)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 847165593 SSSMRAFAEOLWMQ-STQMWFEESA-N 369.347 2.889 0 50 FFAA Cc1ccc(CNc2ccc(N3CCN(C)CC3)cc2OC(F)F)nn1 2325774140 DYPYCFLWQKZZDI-UHFFFAOYSA-N 363.412 2.750 0 50 FFAA O=S1(=O)CCN(Cc2ccsc2Br)C2(CCC2)C1 2325797416 QOJGHFMWQZQFQN-UHFFFAOYSA-N 350.303 2.664 0 50 FFAA Cc1cccnc1CN(C)CCN(C)C(=O)c1ncoc1C(F)(F)F 2325839192 LKDRLOZDVAMREY-UHFFFAOYSA-N 356.348 2.601 0 50 FFAA COc1cccc(Cl)c1[C@@H]1C[C@H]1NS(=O)(=O)c1cnccc1C 2325854546 JFUQSRLHZLDGTD-DGCLKSJQSA-N 352.843 2.886 0 50 FFAA NCCc1ccc(CNC(=O)c2nn3ccccc3c2Br)cc1 2325858298 HVYTXYBFIFZJNM-UHFFFAOYSA-N 373.254 2.528 0 50 FFAA CC[C@H](C)CC(=O)N1C[C@@H](CN=c2nc(O)c3ccccc3[nH]2)C[C@@H]1C 2325866895 DDECCIDFWCCQRM-SOUVJXGZSA-N 356.470 2.842 0 50 FFAA CC(C)C(=O)NC[C@H](C)CN=c1[nH]c2ccc(Br)cc2o1 2325867512 YKVKFTVXKRLNET-JTQLQIEISA-N 354.248 2.832 0 50 FFAA CN1C(=O)N(C[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)S(=O)(=O)c2ccccc21 2325867962 KDOWHIQCAQFRGK-WOPDTQHZSA-N 356.394 2.929 0 50 FFAA C[C@@H](C1CC1)n1nc([C@@H]2CN(C)CCO2)nc1-c1c[nH]c2ncccc12 2325880110 VFPMOPGMQMDAGV-LRDDRELGSA-N 352.442 2.796 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N(C[C@@H]1CCCO1)c1ccnnc1 953049737 BDNUGWFAEGNBHA-SFHVURJKSA-N 363.421 2.797 0 50 FFAA Cc1cccc(O[C@H](C)C(=O)Nn2c(S)nc3ccccc3c2=O)c1 102228980 PUURCCGRYUFDLG-GFCCVEGCSA-N 355.419 2.531 0 50 FFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Cl)ccc21 4556198 CFRDCBVHYLDYJX-GOSISDBHSA-N 359.765 2.506 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)CC1 4674128 MZNVCTIXTQHLAZ-FQEVSTJZSA-N 368.433 2.648 0 50 FFAA CCCC(=O)N1C[C@H]2[C@H](CN3CCCOc4c(cccc4OC)C3)[C@H]2C1 101802725 JEOKHUFVGNVANZ-NNZMDNLPSA-N 358.482 2.784 0 50 FFAA O=C(NCCc1ccccc1)[C@@H]1CC=CC[C@H]1C(=O)OC[C@@H]1CCCO1 22339083 DOMSWSYBDLOIME-IPMKNSEASA-N 357.450 2.650 0 50 FFAA O=C1C[C@@H](c2cccc3nsnc23)c2sc(N3CCCC3)nc2CN1 65410250 XNGWOSPORCUJGQ-NSHDSACASA-N 371.491 2.900 0 50 FFAA CCN1CC[C@@H](N2CCN([C@@H]3CCc4ccccc4C3)CC2)CCC1=O 23358263 XXCSSSMALOSUMJ-LEWJYISDSA-N 355.526 2.563 0 50 FFAA CC(C)(C)c1ncc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)s1 136816248 OUBLTMXLUBSIIW-CYBMUJFWSA-N 351.516 2.671 0 50 FFAA CCn1c([C@H]2CCCNC2)nn(Cc2c(F)ccc(C)c2Cl)c1=O 67674069 KMFMUUFMXNRGMZ-LBPRGKRZSA-N 352.841 2.681 0 50 FFAA NC(=O)[C@H]1CCCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)C1 23282189 ZUAHBIBQKLJGBT-VIFPVBQESA-N 355.221 2.797 0 50 FFAA Cc1ccc(C[C@@H](CO)CNC(=O)NCCc2ccc3c(c2)CCO3)cc1 252503481 VDJDAPZHMQJLNC-LJQANCHMSA-N 368.477 2.623 0 50 FFAA CCCN1CCC(Cc2noc(-c3nc4ccccc4c(=O)[nH]3)n2)CC1 67921757 KDIYVYCLOQUPBW-UHFFFAOYSA-N 353.426 2.638 0 50 FFAA C[C@@H]1CN(c2cccc(Cl)c2)C(=O)CN1C(=O)C(=O)c1ccccc1 77488482 NOIVNCCADOHKKN-CYBMUJFWSA-N 356.809 2.787 0 50 FFAA CCNc1cc(C)nc(NCCNC(=O)c2c(F)cccc2Cl)n1 72434300 XWIMZLWCYYYPFS-UHFFFAOYSA-N 351.813 2.851 0 50 FFAA CCCc1cnc(C)nc1N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 72129746 CSOWRLZUPDSXFO-GOSISDBHSA-N 350.466 2.918 0 50 FFAA C[C@@H]1[C@H](NC(=O)N2CCCc3c(cnn3C)C2)CCN1Cc1ccccc1 334127678 QRGQGLWPBABFQS-VQIMIIECSA-N 367.497 2.541 0 50 FFAA Cc1nc(NCCSc2nnc(C)s2)cc([C@@H]2CCCNC2)n1 39541838 IOSKQKBVCVTWNG-GFCCVEGCSA-N 350.517 2.616 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 237965140 UYWQRDVXUKKWFN-GXTWGEPZSA-N 351.830 2.995 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CCCC[C@H]1CCO 378449038 FDMFPHCGPUVZGR-UXHICEINSA-N 359.514 2.845 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2NC(=O)C2CC2)cc1 77322989 LKBMNSQIAMUYAU-ZWKOTPCHSA-N 367.449 2.734 0 50 FFAA CCc1nc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)nn1-c1ccccc1 263099405 IQJHCIGHMKZHHX-AWEZNQCLSA-N 356.426 2.547 0 50 FFAA C[C@@H](Oc1ccccc1CN1CCC(Oc2cccnc2)CC1)C(=O)O 215105107 HGLXEJRBNMBQHR-OAHLLOKOSA-N 356.422 2.977 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 174868645 ULMTVCUCSJWBFH-RTBURBONSA-N 367.449 2.583 0 50 FFAA Cc1cc(=O)n(CC(=O)N(C)CC2(N3CCCCC3)CCCCC2)nc1C 72457816 XEGVAPMWSOIDQP-UHFFFAOYSA-N 374.529 2.507 0 50 FFAA CCc1cccc(N(C)C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)c1 457337150 QTYYPDOFPPCNST-UHFFFAOYSA-N 351.406 2.549 0 50 FFAA Cn1cccc1[C@H]1CCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 175207666 HSMKNVMPQZHJFJ-PZJWPPBQSA-N 367.493 2.980 0 50 FFAA Cc1nc(C)c(CC(=O)NC[C@@H]2CCC3(CCN(C(C)C)CC3)O2)s1 216478781 QDXHGZBXXQVKEK-INIZCTEOSA-N 365.543 2.841 0 50 FFAA CS(=O)(=O)C1CCC(NC(=O)N2CC=C(c3ccccc3)CC2)CC1 175503522 RGSXCUZTKCNPHP-UHFFFAOYSA-N 362.495 2.841 0 50 FFAA COCCN(C)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72152276 FDNVEFDJKOFGQU-UHFFFAOYSA-N 366.505 2.803 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc4nccnc4c3)CC2=O)cc1 82121128 OHRJYLPHXMLIEH-OAHLLOKOSA-N 360.417 2.816 0 50 FFAA CCc1c(C)nn(CC(=O)N[C@H]2CCCN(Cc3cccnc3)CC2)c1C 82166847 GWEATPHRQHAFJK-IBGZPJMESA-N 369.513 2.628 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCc2nnn(C)c2C1 289743575 JTJCBTZGKGNKIC-NSHDSACASA-N 352.360 2.597 0 50 FFAA O=C(c1cccs1)N1CCN(Cc2ccccc2Cn2cccn2)CC1 220612440 YMZKREKVSWJIAB-UHFFFAOYSA-N 366.490 2.951 0 50 FFAA Cn1c(CC2CCNCC2)nnc1SC[C@H]1CC(F)(F)C1(F)F 82125254 NSYYOYWTXFSNHX-SNVBAGLBSA-N 352.401 2.740 0 50 FFAA Cc1nn(-c2cccc(C(=O)NCc3ccon3)c2)c(=O)c2ccccc12 426719766 AMINVNBPUQJVPM-UHFFFAOYSA-N 360.373 2.612 0 50 FFAA Cc1ccc2[nH]c(CCNC(=O)C3(N4CCOCC4)CCCCC3)nc2c1 222361197 MTEOAGWFPKLEOG-UHFFFAOYSA-N 370.497 2.565 0 50 FFAA CCn1cnnc1[C@@H](C)NC(=O)N1CCC(Oc2cccc(C)c2)CC1 426537847 ZNHAYFRUUNIMCE-OAHLLOKOSA-N 357.458 2.920 0 50 FFAA O=C(CCCc1nc(-c2cccnc2)no1)N1CCOC2(CCCC2)C1 426380125 PLHDHKSEIRWGLF-UHFFFAOYSA-N 356.426 2.626 0 50 FFAA Cc1nc2cc(CNC(=O)[C@H](c3cccnc3)N3CCCC3)ccc2n1C 95520220 UWHCINYKKBKMLM-FQEVSTJZSA-N 363.465 2.730 0 50 FFAA O=C(NCC1CCOCC1)N1CCC([C@H](O)CCc2ccccc2)CC1 426535292 XGMTZMDLNUTOAO-HXUWFJFHSA-N 360.498 2.828 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2cccnc2SC)CC1 91574169 VJFMSINZFSGHSZ-UHFFFAOYSA-N 360.483 2.666 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cn(C)nc1C(F)(F)F 294252583 WOVGUGCBPIYUFK-GFCCVEGCSA-N 359.373 2.713 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 95386414 DDYFYQDWMYVIFN-KRWDZBQOSA-N 366.469 2.879 0 50 FFAA C[C@@H](C(=O)N1CCc2[nH]nc(C3CCC3)c2C1)n1c(=O)oc2ccccc21 23505882 YJRVJCGZYWBEJO-LBPRGKRZSA-N 366.421 2.731 0 50 FFAA CN(Cc1ccc(Cl)s1)C(=O)COc1cccc2c1NC(=O)CO2 180762322 JKHJQLAOAJPYFG-UHFFFAOYSA-N 366.826 2.770 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)c2ccccc21 95367635 LSJBSLOMBYVNHZ-SFHVURJKSA-N 366.465 2.662 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)CCc3cn4ccccc4n3)CC2)n1 97243863 ACWMYCHFJJRCAE-UHFFFAOYSA-N 351.454 2.677 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 239433553 XZESUBFBZKJUNK-OJAHFUOMSA-N 374.396 2.604 0 50 FFAA COC(=O)N1CCCc2cc(NC(=O)NCc3n[nH]c4c3CCC4)ccc21 95524718 LNQLOPGCSDBOQQ-UHFFFAOYSA-N 369.425 2.739 0 50 FFAA CCOc1ccc(CCCC(=O)N2CC[C@@]3(CCCNC3=O)C2)cc1C 91819672 DDEMAQLPVNUHQZ-NRFANRHFSA-N 358.482 2.845 0 50 FFAA O=C(CSc1ccccn1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91809124 BXDRGWYFGYGWPU-FUHWJXTLSA-N 368.506 2.692 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 244715983 LGHHKIRJMVEHTO-JNSHFYNHSA-N 363.893 2.704 0 50 FFAA O=C(COc1ncnc2ccccc12)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 252538476 NBVIOXQEWRQWQO-FHSNZYRGSA-N 369.446 2.699 0 50 FFAA Cc1oncc1NS(=O)(=O)c1cnc(Cl)c(Br)c1 253424090 AFYLMQUIHJPWHV-UHFFFAOYSA-N 352.597 2.595 0 50 FFAA CC(C)[C@@H](NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1)c1ncnn1C 534657487 WBVBVGQWFVLFQQ-OAHLLOKOSA-N 373.486 2.805 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1ccc(CO)o1)CC2 299762558 NMVJOVKCVOEIGF-ZAAXVRCTSA-N 358.438 2.758 0 50 FFAA Clc1cccc2ccc(CN3CC[C@H]4OCc5cnnn5[C@H]4C3)nc12 299768036 FFAFZLLGUOGENP-DLBZAZTESA-N 355.829 2.826 0 50 FFAA CCCn1cc(NC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)nn1 299779644 NTXSFOHINMMSMY-MSOLQXFVSA-N 368.485 2.816 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@H]2CCC(=O)N(C)C2)c1-c1ccc(F)cc1 299799271 QSMCBOZJQMMSFS-AWEZNQCLSA-N 373.432 2.531 0 50 FFAA Cc1cc(=O)c2c(o1)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 828244747 SDFNWTRDRGEAQP-AWEZNQCLSA-N 363.369 2.650 0 50 FFAA biogenic CN(Cc1ccc2nonc2c1)C(=O)NCc1csc(N2CCCC2)n1 584888330 LSAIXNOYGXFBEK-UHFFFAOYSA-N 372.454 2.621 0 50 FFAA CC1(C)C[C@@H](NC(=O)N2CCC3(CC2)COC(=O)O3)c2ccccc2O1 584895863 JRFVDIJQFFWCEC-CQSZACIVSA-N 360.410 3.000 0 50 FFAA Cc1ccc(C)c(-c2csc3ncn(C[C@@H]4CCNC[C@H]4O)c(=O)c23)c1 670455595 FKJUMHIEDNSLGY-WMLDXEAASA-N 369.490 2.712 0 50 FFAA NC[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1 1875298677 JHXFKHUXNLLCJN-MJGOQNOKSA-N 372.440 2.535 0 50 FFAA Cn1cc(CCC(=O)N2CCN([C@@H]3CCCC[C@H]3O)CC2)c2ccccc21 1875313883 ZXOFQUDLTJZYAB-NHCUHLMSSA-N 369.509 2.559 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1cc2c(C3CC3)cccc2[nH]1 1875403239 SUJFFJMFMWLMGB-CYFNAFFESA-N 364.449 2.811 0 50 FFAA Cc1nc(O)cc(N2C[C@H](NC(=O)[C@H]3C[C@@]3(C)C(C)C)CC3(CC3)C2)n1 1875407207 UYGPEYDZINIYCX-CLCXKQKWSA-N 358.486 2.648 0 50 FFAA CCCn1cc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1 952980175 FUHSFVSJOCDRDJ-UHFFFAOYSA-N 373.482 2.738 0 50 FFAA O[C@@H]1C[C@H](c2nc[nH]n2)C[C@@H]1CNCc1ccc(Cl)c2cccnc12 888076301 VVAQOYPGEGSPCR-XJKCOSOUSA-N 357.845 2.651 0 50 FFAA Nc1nccc([C@H]2CCCN(C(=O)Cc3ccc(OC(F)F)cc3)C2)n1 170618671 JUQKWXXVNHRXCR-ZDUSSCGKSA-N 362.380 2.609 0 50 FFAA NC(=O)Cn1cc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cn1 170653164 XIVQTEBIGPSUJX-UHFFFAOYSA-N 367.236 2.736 0 50 FFAA O[C@@H]1[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)CCCC1(F)F 414543143 ZFBJZACOTVDQCA-TVQRCGJNSA-N 351.296 2.655 0 50 FFAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1scnc1C1CC1 190771948 TUKLDJSMSVYWTI-AWEZNQCLSA-N 355.419 2.928 0 50 FFAA CO[C@](C)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1F 192351353 IIFUYZLILIZZGA-NRFANRHFSA-N 371.456 2.863 0 50 FFAA CCCNC(=O)c1ccc(C)c(NC(=O)Cn2nc3ccccc3n2)c1 1506430380 YZCIYENMZBYFMX-UHFFFAOYSA-N 351.410 2.518 0 50 FFAA O=C1CCN(C(=O)C2CCCCC2)CCN1CCOc1ccc(F)cc1 12244072 SWWIRCXXOXHPAB-UHFFFAOYSA-N 362.445 2.846 0 50 FFAA COc1ccccc1CN1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 12456671 OPBDFRYWQRKXDB-UHFFFAOYSA-N 371.485 2.510 0 50 FFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCc1ccco1)C2 14748807 JYMIRMNQNBQWES-OAHLLOKOSA-N 356.470 2.676 0 50 FFAA O=C1N(CC2CC2)CCC[C@]1(O)CN1CCC(Cc2ccccc2)CC1 15062735 OZNWFLXSCXSHEQ-QFIPXVFZSA-N 356.510 2.705 0 50 FFAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Br)cc1 19771857 RAHYDEYNMNOBFR-TWMKSMIVSA-N 367.239 2.667 0 50 FFAA CC(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccn2)cs1 19840385 MJJMMAAOCSSTCI-KRWDZBQOSA-N 352.419 2.857 0 50 FFAA OCC1(Cn2ccnc2-c2cccc(Cn3cccn3)c2)CCOCC1 1857672546 FNIQWWCLAUXGDJ-UHFFFAOYSA-N 352.438 2.584 0 50 FFAA Cc1ccc(C2(C(=O)N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)CC2)cc1 1857723461 HCPHCDXDQAYVLE-JZJXAQOMSA-N 354.494 2.594 0 50 FFAA Cc1ccc(F)c(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c1Cl 1857739435 JVWAMIIXUGJSLY-KCQAQPDRSA-N 352.837 2.769 0 50 FFAA COc1cc(C)ccc1OCCN1C(=O)[C@]2(CCNC2)c2ccccc21 1875245372 XBRQUNRVWCYMHI-NRFANRHFSA-N 352.434 2.660 0 50 FFAA Cc1ccc(C(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)cc1N1CCNC1=O 211428274 OSYVMNPHFWSNFA-UTKZUKDTSA-N 373.497 2.784 0 50 FFAA CCn1ccnc1[C@H]1CCCCN1Cc1cc(=O)n2cc(C)ccc2n1 328807100 DKPPDKWPMPJFKO-QGZVFWFLSA-N 351.454 2.947 0 50 FFAA Cn1cc(-c2csc(CNc3ccc(N4CCCC4=O)cn3)n2)cn1 252536664 JCZPXBCDXGWGNX-UHFFFAOYSA-N 354.439 2.678 0 50 FFAA Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cnn(C[C@@H]2CCCO2)c1 364003777 PBHVIBWDQLKFEV-APWZRJJASA-N 356.470 2.530 0 50 FFAA CCc1nn(C)c(CC)c1S(=O)(=O)N1CCc2ccc(F)c(F)c21 2325750725 XQHHVCNZTCPZAC-UHFFFAOYSA-N 355.410 2.575 0 50 FFAA Cc1c(C(=O)N[C@H]2C[C@@H](CS(C)(=O)=O)C2)sc2ccc(F)cc12 2325791261 HXPBPRFITNKENP-KLPPZKSPSA-N 355.456 2.902 0 50 FFAA C[C@@]1(C(F)F)C[C@H]1C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 2325792421 AFXDIKJEMPKNTG-KPZWWZAWSA-N 351.397 2.618 0 50 FFAA COc1ccc([C@H]2CN(C(=O)c3cc4sc(C)nc4[nH]3)CCN2)cc1 2325820687 GOHRBDUYRBMPLJ-OAHLLOKOSA-N 356.451 2.728 0 50 FFAA CCc1ccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 1127911 WNSREHTZXXZUDI-UHFFFAOYSA-N 360.479 2.640 0 50 FFAA CCOc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1 1278138 CCOUAZIWINJSDF-UHFFFAOYSA-N 369.454 2.987 0 50 FFAA CN(C)[C@@H](C(=O)N1CC2(COc3ccccc3C2)C1)c1ccc(F)cc1 2356133970 QBTBOEIIYARUOS-LJQANCHMSA-N 354.425 2.892 0 50 FFAA CCC[C@]1(C(=O)O)CCN(Cc2ccccc2-n2nc(C)cc2C)C[C@H]1O 2356149537 GPIJNBMCVFSISL-CTNGQTDRSA-N 371.481 2.927 0 50 FFAA O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2ccccn2)CC1 2674801 RMABZBBSUYITHR-HXUWFJFHSA-N 363.461 2.797 0 50 FFAA O=C1N[C@H](c2cccs2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4183805 VTKDNOOWBIARLM-LALPHHSUSA-N 370.352 2.852 0 50 FFAA COCC(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 4867333 OOGHOKNXQQNGDW-UHFFFAOYSA-N 363.468 2.912 0 50 FFAA O=C(N/C(=C\c1ccco1)C(=O)N1CCOCC1)c1ccccc1Cl 4976827 PSQLZBVTGCHJQR-VBKFSLOCSA-N 360.797 2.563 0 50 FFAA CCCc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnn1Cc1ccccc1 136116152 PJVVDJXNMPMXRO-MRXNPFEDSA-N 355.438 2.821 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCOCC1)c1ccc(Cl)s1 67820602 UBQPARUMJBRSNI-ZDUSSCGKSA-N 351.859 2.600 0 50 FFAA COC(=O)CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 20918649 MVUYGGKFHSVAAT-UHFFFAOYSA-N 356.357 2.837 0 50 FFAA COc1ccc(CCNC(=O)CS[C@H]2OC(=O)c3ccccc32)cc1 170625395 XZXHFBGKPXQDKT-LJQANCHMSA-N 357.431 2.956 0 50 FFAA Cc1ccccc1CN1CCN(CC(=O)N[C@H](C)c2ccccc2)CC1 20418568 GXBHMGGFRUXOSH-LJQANCHMSA-N 351.494 2.990 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 252512257 ONJOZNHRXKSZKX-WQCNXYOZSA-N 356.466 2.648 0 50 FFAA O=C(CCn1cnnc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 67856321 RUFYGCCRBJTYER-AWEZNQCLSA-N 355.225 2.575 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67562484 BXIVDAGQLBHOPM-CQSZACIVSA-N 359.253 2.762 0 50 FFAA Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)cc1 12432105 ROWWPINCJYOEBL-HXUWFJFHSA-N 371.525 2.724 0 50 FFAA CO[C@H](CNc1nc(C)nc2c1CCN(C(C)=O)CC2)c1cccs1 65407833 IMXGXJDPQKVHHG-MRXNPFEDSA-N 360.483 2.593 0 50 FFAA Cc1ccc(C2(C(=O)N3CCc4c(nc(C)nc4N(C)C)C3)CC2)cc1 72143735 BTFYFDBQIOSPMM-UHFFFAOYSA-N 350.466 2.776 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C 155592543 NPORBCIIUGHFNY-GOSISDBHSA-N 358.438 2.608 0 50 FFAA COc1ccccc1N1CCC(NC(=O)N2CC[C@]3(CCCOC3)C2)CC1 489273631 BCYUTZUFONLXBF-OAQYLSRUSA-N 373.497 2.876 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 237986922 IEPYCVGHRVHJDX-MRXNPFEDSA-N 359.401 2.800 0 50 FFAA O=C(c1cccnc1)N1CCc2c(ncnc2NC2Cc3ccccc3C2)C1 71774976 NXKGEFIUQZVQIR-UHFFFAOYSA-N 371.444 2.649 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1CCCC1 72441651 DNDOGYSCNMCPIA-UHFFFAOYSA-N 352.456 2.608 0 50 FFAA Cc1c(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cnn1-c1ccccn1 46355409 OZUNTLQGPMYPNL-GOSISDBHSA-N 366.396 2.929 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCCN(c3ccnc(C)c3)CC2)cs1 82115965 MJEJLKSXYGMUJV-UHFFFAOYSA-N 357.479 2.936 0 50 FFAA Cc1scnc1CN1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 223639670 WNFQABPOAXBLND-IBGZPJMESA-N 354.479 2.940 0 50 FFAA COc1cc(OC)cc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)c1 178408423 VKFZZIBDFMNQTL-QGZVFWFLSA-N 351.399 2.809 0 50 FFAA COc1ccc(C(=O)CCC(=O)NCc2n[nH]c3c2CCCCC3)cc1 220163348 NXLIVYBSLPFZNJ-UHFFFAOYSA-N 355.438 2.967 0 50 FFAA CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)n1cccc1 334161141 UXNKIADCKLQAAW-AOIWGVFYSA-N 353.466 2.883 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCC(N2CCSCC2)CC1 20784491 SMLWQAYYLMUQSK-HNNXBMFYSA-N 365.568 2.826 0 50 FFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCCN(C2CCCC2)CC1 426492801 LYNHXOXWRHTOTB-FQEVSTJZSA-N 370.541 2.921 0 50 FFAA COC(=O)[C@@]1(c2ccccc2)CCN(c2nc3c(s2)c(C)nn3C)C1 96150315 DOWGAAURINTRMD-SFHVURJKSA-N 356.451 2.659 0 50 FFAA CCOCCOc1cccc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c1 91536837 HKDFABXMGNXKGO-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA O=c1cc(CN2CCN(c3cccc(O)c3)CC2)[nH]c2ccc(F)cc12 91656370 OQZVBPGFDPSSCQ-UHFFFAOYSA-N 353.397 2.695 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)c1cccc(-c2ncccc2Cl)c1 426491611 XXWSWSNJRBFGDV-HNNXBMFYSA-N 373.884 2.836 0 50 FFAA O=C(NCCN1CCCOC1=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 426740341 DJVQBMYRLVYSJX-UHFFFAOYSA-N 368.389 2.654 0 50 FFAA Nc1cncc(-c2ccc(C(=O)NCCCCCN3CCOCC3)cc2)c1 426641579 RZNPUVVYXKJHQR-UHFFFAOYSA-N 368.481 2.563 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)no1 95365805 ADECILFALQHYQZ-DLBZAZTESA-N 354.454 2.930 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1=O 91444739 NSDNFRUWRDLIAG-KRWDZBQOSA-N 353.850 2.510 0 50 FFAA COc1nc2c(cc1C(=O)N[C@H](C)c1nc(-c3ccncc3)no1)CCC2 91964937 OUWNGENFONVGNM-LLVKDONJSA-N 365.393 2.515 0 50 FFAA CCOCCn1nc(C)cc1C(=O)NC[C@@H]1CCOc2ccccc2C1 95366307 SKXFORQWUSDWTC-MRXNPFEDSA-N 357.454 2.599 0 50 FFAA CCCn1ncc(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)c1C 91680314 CLUNHKQXGLEQAF-UHFFFAOYSA-N 355.364 2.691 0 50 FFAA CCN(C(=O)Nc1cccc(-c2cscn2)c1)[C@@H]1CCS(=O)(=O)C1 96163388 QUKFLZZSCHRZCY-CQSZACIVSA-N 365.480 2.851 0 50 FFAA O=C(CN1C(=O)CCc2ccccc21)N(CC1CCC1)C[C@@H]1CCCO1 95522250 URPPJEZXPIYXLY-SFHVURJKSA-N 356.466 2.774 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCc3n[nH]cc3C2)c1 91594696 MKTLRYBKQGLICF-UHFFFAOYSA-N 369.421 2.574 0 50 FFAA C[C@@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(F)c(F)c1)CC2 91536961 HNNGFUQLTQFLCU-CQSZACIVSA-N 352.425 2.550 0 50 FFAA COC[C@@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1ccnn1C 91846987 JENASULFUWGNFD-MRXNPFEDSA-N 354.454 2.873 0 50 FFAA COC[C@H](NC(=O)Nc1c(C)c(-c2ccccc2)nn1C)c1ccnn1C 96153456 VRYKNSAETBVNSC-HNNXBMFYSA-N 368.441 2.638 0 50 FFAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccnc(N2CCCCC2)c1 182487100 QFYPGDKNPSFOEU-DLBZAZTESA-N 351.516 2.517 0 50 FFAA Cc1noc(C)c1CCNC(=O)c1cc2n(n1)C[C@H](c1ccccc1)OC2 263618141 RLBLGIIIFLDUBP-LJQANCHMSA-N 366.421 2.732 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)NCc3ccc(CO)cc3)C2)c1 534636906 DIPVBHLZLONYSS-QGZVFWFLSA-N 370.449 2.895 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC[C@H](OCc3ccccn3)C2)c1C 65497695 VQNNAHFDSVSREM-SFHVURJKSA-N 371.485 2.535 0 50 FFAA O=C(NC[C@]1(O)CCNC1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1 299773239 BDQXGJSWAVMFGN-SFHVURJKSA-N 364.367 2.827 0 50 FFAA COC[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 674421536 WGVCQLIFNJZDGQ-VIFPVBQESA-N 354.255 2.802 0 50 FFAA CCc1nccn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 670453444 MSEWDIQQOPTWPB-UHFFFAOYSA-N 361.389 2.833 0 50 FFAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F 868506482 MIFOJBXQHAQRQG-RVKKMQEKSA-N 366.408 2.848 0 50 FFAA C[C@H]1CCc2[nH]nc(-c3nc(-c4nc[nH]n4)nn3[C@H](C)C(F)(F)F)c2C1 1875335808 HYQUAKYWPSNQNC-JGVFFNPUSA-N 366.351 2.701 0 50 FFAA O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1CCc2c(CO)cccc21 1875312767 UHUTYBNZYOVYGX-KRWDZBQOSA-N 365.351 2.690 0 50 FFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2nc[nH]c2cc1F 1875349267 SCZLJJXFUYXDSR-GFCCVEGCSA-N 352.369 2.517 0 50 FFAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(Cc2ccccc2OC2CC2)CC1 952889652 FEYVIGAIKKQUPT-UYAOXDASSA-N 358.482 2.720 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 952971428 JSCOJKIITZHHCA-UHFFFAOYSA-N 354.414 2.564 0 50 FFAA CCCN(CCc1ccccc1)S(=O)(=O)N1CCC(COC)CC1 952972124 ODIOITPCAUGYLI-UHFFFAOYSA-N 354.516 2.544 0 50 FFAA Cc1cc(N2CCN(C(=O)C3(c4cccnc4)CCCC3)CC2)nc(C)n1 885713206 OFEWPXKSZXYQKO-UHFFFAOYSA-N 365.481 2.649 0 50 FFAA COCCn1cc([C@H]2OCC[C@@H]2NCc2cc(Cl)ccc2F)cn1 888076063 SZZJKCXHEBYDII-DLBZAZTESA-N 353.825 2.942 0 50 FFAA C[C@@H]1CCCc2cc(-c3noc([C@@H]4CC(=O)N(C5CC5)C4)n3)c(O)nc21 896767212 DTDGBBBLTDDDRG-ZYHUDNBSSA-N 354.410 2.755 0 50 FFAA C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CC[C@]1(O)C1CC1 1565516665 PRQUPGAIJZNXTO-KPZWWZAWSA-N 353.846 2.786 0 50 FFAA CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2ncn[nH]2)cc1 186199069 XIFAQBCWKYFQCM-GOSISDBHSA-N 350.422 2.885 0 50 FFAA Cn1nnc2cc(C(=O)N3CC4(CCCC4)c4cccc(F)c43)cnc21 278544032 ODZXCTHOAABBOS-UHFFFAOYSA-N 351.385 2.975 0 50 FFAA COc1ccc(CN2CCCN(Cc3noc(CC(C)C)n3)CC2=O)cc1 170597074 GCRDXIXCHRUUNF-UHFFFAOYSA-N 372.469 2.511 0 50 FFAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(F)ccc2Br)C1(C)C 188855990 WMJYRUJRHSIRBT-CJNGLKHVSA-N 374.250 2.884 0 50 FFAA CO[C@@](C)(C(=O)N1CCO[C@H](c2nccs2)C1)c1ccccc1F 192093326 FJDDJGSLECIOKG-WMLDXEAASA-N 350.415 2.744 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1nc(N)nc2c1CCCC2 1506405276 AKYCIHCZNMUOOV-UHFFFAOYSA-N 368.466 2.661 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NCC2(Cn3nc(C)cc3C)CC2)c1 1506417424 JLWUDOPSZCTWPG-UHFFFAOYSA-N 354.454 2.734 0 50 FFAA Cn1nc2c(c1NC(=O)CCCc1nc(-c3ccco3)no1)CSC2 1529119130 CAEKNCCWKKBQKV-UHFFFAOYSA-N 359.411 2.771 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3ccc(OC(F)F)cc3)C[C@@H]2CC1=O 1529180610 MEWRWFGPWIKOKV-HZSPNIEDSA-N 352.381 2.617 0 50 FFAA CCc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCSC)C2)on1 215545746 DWALDQRVSDRHAX-PBHICJAKSA-N 351.516 2.803 0 50 FFAA CC(C)CN1C(=O)CC[C@@H]2CN(C(=O)c3ccc4nc[nH]c4c3)CC[C@@H]21 216934416 KHPIKYNMPHWSMX-QAPCUYQASA-N 354.454 2.672 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(F)cc(F)c3)C1)CC2 1704338451 AVRVJEUNVSIBPN-FQEVSTJZSA-N 372.419 2.941 0 50 FFAA COc1cc(C)ccc1OCc1nc(C(=O)NCc2ccncc2)co1 11938342 AWRDRMCITRKHHJ-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA O=C(CCc1ccsc1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12595929 RHVGQNMYUCMMLG-KRWDZBQOSA-N 354.475 2.565 0 50 FFAA Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)o1 14745619 VLCQZZHOFQBACC-HNNXBMFYSA-N 358.486 2.789 0 50 FFAA COCCNC(=O)CCC1CCN(Cc2cccc3cccnc23)CC1 15064763 TUQLPRIDIGAVPE-UHFFFAOYSA-N 355.482 2.990 0 50 FFAA Cc1nc(CN(C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)cs1 15065409 NULMMQADEWQZNZ-IBGZPJMESA-N 365.543 2.817 0 50 FFAA Cc1cccc(-n2nc(CC(N)=O)nc2-c2cc(C)n(C(C)C)n2)c1C 1857666996 KXXWCOXDJPJCQB-UHFFFAOYSA-N 352.442 2.665 0 50 FFAA CN1C(=O)NCC12CN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)C2 1857681622 HCTGCVFZIQNTAP-UHFFFAOYSA-N 373.460 2.749 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1nc[nH]n1 1857698477 SYHAUWQWZJABSU-LLVKDONJSA-N 374.832 2.522 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(Cc3cccc(OCC(C)C)c3)C[C@]23CC[C@H]1O3 1857735245 AFGBJVPLNKHFOO-DXBBTUNJSA-N 372.509 2.837 0 50 FFAA O=C(CC1CCCC1)NCCCOc1ccc(CN2CCOCC2)cc1 15000305 GMTKIKROWWKZQC-UHFFFAOYSA-N 360.498 2.984 0 50 FFAA Cc1cccc(NC2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)c1 151855930 VTSOATKZEULNDM-UHFFFAOYSA-N 362.437 2.687 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2csc(CC(C)C)n2)C1 779857179 NAFRZJCMLIKKQF-DGCLKSJQSA-N 350.444 2.635 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CCCc3nn(C)cc32)CC1 366980145 IDEORLQPFRIDDN-INIZCTEOSA-N 354.454 2.613 0 50 FFAA Cc1cc([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCCO4)C2)n[nH]1 368663440 PAANENDRIBGEOF-MRXNPFEDSA-N 355.438 2.828 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)n1 378302400 XSYYHCDIFMRYBD-CABCVRRESA-N 350.463 2.861 0 50 FFAA O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cnn2cccnc12 265854375 VUKVEMKIWNSICK-CYBMUJFWSA-N 355.373 2.712 0 50 FFAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N[C@@H]1CCc2[nH]ncc2C1 164384327 BZKAHRZLQPPXOQ-KVSKMBFKSA-N 354.454 2.734 0 50 FFAA O=C(O)C[C@H](O)c1ccccc1-c1ccc2c(c1)CC[C@@]1(COC(=O)N1)C2 901000529 QSELHZNHIGSVQE-RXVVDRJESA-N 367.401 2.829 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc4ncsc4c3)C1)CC2 1704297470 AERPMBMABGVVJP-IBGZPJMESA-N 365.462 2.789 0 50 FFAA Cn1c(NCCS(=O)(=O)CCc2ccccc2)nc2ccc(F)cc21 814259860 AQFWSCXRFFTUQH-UHFFFAOYSA-N 361.442 2.782 0 50 FFAA Cc1cc(C(=O)NCc2cc3n(n2)CCCO3)cc(C)c1OC(F)F 816650681 WOEXDZPRXHRNAL-UHFFFAOYSA-N 351.353 2.814 0 50 FFAA CCCS(=O)(=O)N1CCC(N[C@H](C)c2ccc(C(F)F)nc2)CC1 850422787 CRGJMVPEJPJFCC-GFCCVEGCSA-N 361.458 2.874 0 50 FFAA Cc1ccccc1N1C(=O)CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H]1C 12203191 WFJHWSMIRBTMPP-HNAYVOBHSA-N 350.418 2.562 0 50 FFAA N[C@@H]1CC[C@H](CS(=O)(=O)NC[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 2325778205 JCRSVXZZJWXPAT-VZPJQNINSA-N 368.465 2.648 0 50 FFAA CCn1c(-c2cc(C)[nH]c3ncnc2-3)nnc1N1CCc2ccc(O)cc21 2325863182 YTMUOMNDHXYANE-UHFFFAOYSA-N 361.409 2.896 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2)cc1 1178501 XDALVZIDRQZOIH-UHFFFAOYSA-N 366.870 2.585 0 50 FFAA O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc2ccccc2c1 1846279 YDZBMMZPXDKCED-UHFFFAOYSA-N 361.397 2.925 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCC[C@@]4(CC3)CNC(=O)O4)n2)cc1 2356158383 ZRFZNUDCVUISJN-HXUWFJFHSA-N 367.453 2.679 0 50 FFAA Cn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccncc1 3378210 JOZCVZQAUNLMHH-UHFFFAOYSA-N 373.869 2.939 0 50 FFAA CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1N=O 4031822 YIANCSFSDVXWFE-OAHLLOKOSA-N 354.366 2.923 0 50 FFAA Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCCCC1 4839177 UPUOGLMXPDXQFR-UHFFFAOYSA-N 350.484 2.796 0 50 FFAA CC(C)CCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 7424184 FQNXOXXBPDMEQS-UHFFFAOYSA-N 352.394 2.654 0 50 FFAA Cc1c(CN[C@H](CN(C)C)c2ccccc2)c2ccccc2n1CC(N)=O 55307646 ICUKYZBZAOOHKE-HXUWFJFHSA-N 364.493 2.828 0 50 FFAA COc1ccccc1-c1cc(C(=O)N2CC[C@](O)(c3ccccc3)C2)[nH]n1 67948013 VCANYMMWCOVVNA-OAQYLSRUSA-N 363.417 2.819 0 50 FFAA O=C(NCc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1)c1cccs1 136144922 ANECDUYFYRRPJP-HNNXBMFYSA-N 372.446 2.615 0 50 FFAA CC(=O)c1cccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1 22926591 JHWBPGXUJSEAHF-QFIPXVFZSA-N 367.493 2.661 0 50 FFAA OCCN1CCN(c2nnc(-c3ccccc3)cc2-c2ccccc2)CC1 20064276 CGRPXUBTSSOHFJ-UHFFFAOYSA-N 360.461 2.925 0 50 FFAA CC(C)c1ccc(S(=O)(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)cc1 472610182 LALLNMLSKPBBNQ-LJQANCHMSA-N 358.463 2.972 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cnc(-c3cccnc3)nc1)C2 67821567 HJIMTLIYRYLKLN-UHFFFAOYSA-N 360.421 2.683 0 50 FFAA CCC[C@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72454644 WITFXVUAGIDJAR-HNNXBMFYSA-N 360.502 2.764 0 50 FFAA CSc1ccccc1OCc1cc(C(=O)NCc2cc(C)[nH]n2)no1 67491029 YJCOYBRHJGEPQG-UHFFFAOYSA-N 358.423 2.937 0 50 FFAA CC(C)CCNc1nc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cs1 409412983 UXQXLDLTGCHBDZ-RDTXWAMCSA-N 351.516 3.368 0 50 FFAA biogenic CC(=O)Nc1ccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1 39515520 CFRSJANZZZLSND-HXUWFJFHSA-N 373.522 2.775 0 50 FFAA Cc1ccc2c(C(=O)N3CCN(C)CC3)cc(-c3cnn(C)c3)nc2c1C 63845458 FYBXNPWDJOMCFK-UHFFFAOYSA-N 363.465 2.640 0 50 FFAA C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 253407612 FSCPCMWJKLERSD-VIFPVBQESA-N 364.327 2.631 0 50 FFAA Cc1nccn1C1(C(=O)O)CCN(C(=O)c2coc3ccccc23)CC1 72475567 KCYKWQPVYHJLKC-UHFFFAOYSA-N 353.378 2.654 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCC(O)(Cc2ccccc2)CC1 72168528 IRMYSCVNUVEMEL-LJQANCHMSA-N 364.489 2.973 0 50 FFAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C[C@H](O)Cc1ccccc1 328635606 NMHAEDSLZJEQMM-JKSUJKDBSA-N 367.415 3.000 0 50 FFAA O=C(O)[C@]1(CCc2ccccc2)CCCN(c2ncnc3[nH]cnc23)C1 71758860 QCEXUVBOIUSQHI-IBGZPJMESA-N 351.410 2.657 0 50 FFAA COc1ccc(-c2nccn2[C@H]2C=CS(=O)(=O)C2)cc1CN1CCCC1 72145679 CBHUSGZVLQMTOP-KRWDZBQOSA-N 373.478 2.638 0 50 FFAA CSc1ccc(CC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)cc1 215467790 FKUWLQZJRNWMFZ-IBGZPJMESA-N 371.506 2.536 0 50 FFAA CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(OC2CCCCC2)cc1 157839209 UYLJYWPPXQLZGM-SFHVURJKSA-N 359.470 2.818 0 50 FFAA C[C@@H](C(=O)O)[C@@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccccc1 262539599 RAEMYMUTEXOFLF-JLTOFOAXSA-N 366.417 2.544 0 50 FFAA CC[C@@](CNC(=O)[C@H]1COc2ccccc2C1)(C(=O)O)c1ccccc1 263014810 OABAFHUOVQONRO-IERDGZPVSA-N 353.418 2.787 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1C 333915491 ZCOPPSIAWHDZJQ-MRXNPFEDSA-N 365.437 2.641 0 50 FFAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)NCc1cccc2cccnc12 286680963 HGYNPLWMNAJKLR-IPMKNSEASA-N 369.465 2.960 0 50 FFAA CC(C)n1cnnc1CN(C)c1nc(C2CCCC2)nc2c1cnn2C 72144915 RDUDQFPUOUSHLF-UHFFFAOYSA-N 354.462 2.830 0 50 FFAA CC(C)CN1CCn2nc(CNC(=O)NCCc3ccccc3F)cc2C1 82109434 NIOUWUBKQOVZTG-UHFFFAOYSA-N 373.476 2.536 0 50 FFAA C[C@H](O)c1ccc(-c2cccc(C(=O)NCC(=O)N3CCCC3)c2)cc1 426506572 HDARAXLOOWFCCU-HNNXBMFYSA-N 352.434 2.759 0 50 FFAA O=C([C@@H]1COc2ccccc2O1)N1CCC(c2nccn2CC2CC2)CC1 82115825 JFWKTDJEHOIPKT-IBGZPJMESA-N 367.449 2.839 0 50 FFAA Cc1ccoc1C(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 426478035 PKCOYZRRKVNXTR-INIZCTEOSA-N 371.485 2.722 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)NCc1nc2c(s1)CCCC2 426669039 NKCVMELCHQABKS-UHFFFAOYSA-N 363.458 2.819 0 50 FFAA CN1C[C@]2(CCCN(C(=O)Nc3cccc(-c4cnco4)c3)C2)OC1=O 95497061 DCXLZVKZTXMILE-SFHVURJKSA-N 356.382 2.790 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(-c2ccccc2)[nH]c1=O 91319784 QJBAETLMFUBVGA-UHFFFAOYSA-N 373.416 2.596 0 50 FFAA Nc1n[nH]c2ccc(-c3ccc(S(=O)(=O)N4CCSCC4)cc3)cc12 96140514 IOIIQFMZQUDSMZ-UHFFFAOYSA-N 374.491 2.550 0 50 FFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1cc2c([nH]c1=O)CCCC2 95387419 OIBGIZXWJAJHDB-AWEZNQCLSA-N 352.434 2.625 0 50 FFAA CN(C)[C@@H](C(=O)NCc1nc(Cc2cccs2)no1)c1cccc(F)c1 95385971 FCUHMJWLPMREEC-QGZVFWFLSA-N 374.441 2.780 0 50 FFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cnc(-c2cccnc2)nc1 95360227 FJHPXQHQKKUNGW-IBGZPJMESA-N 370.416 2.906 0 50 FFAA CCCc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)o1 91914746 WGGHCIKBHPBTIX-HNNXBMFYSA-N 362.470 2.910 0 50 FFAA CCc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239173740 OOIMGFZNCXYCRF-DEGRCIOYSA-N 364.445 2.631 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cc(C)on3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95352160 RXWRWENQDDFNGC-DFQSSKMNSA-N 367.449 2.694 0 50 FFAA CC(=O)c1ccc(OCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)cc1 92046139 JXOAEJBEPVIOSN-GOSISDBHSA-N 367.445 2.852 0 50 FFAA COc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ncn1 91807117 HSZWFZZRTVSPCP-OAHLLOKOSA-N 350.426 2.509 0 50 FFAA COc1ccnc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91745269 HCDFZXYRSNONHC-MRXNPFEDSA-N 350.426 2.509 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]2C[C@@H](O)C2)cn1 244882619 XVGGOBNPSRJHCR-SIXWZSSISA-N 360.841 2.915 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc(C(C)=O)s2)[C@H]2C[C@H](O)C2)c1 252535790 GWMPYRMZDMZQTN-CJBNDPTMSA-N 360.435 2.596 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cnc(Cc2ccccc2F)s1 185037148 OQAIEVWYBSXMFG-HNNXBMFYSA-N 373.453 2.756 0 50 FFAA Cc1cnc2c(C(=O)NCCN3CC[C@@H](c4ccccc4C)C3)cnn2c1 299765088 VEJSJCCOQWEDEO-QGZVFWFLSA-N 363.465 2.565 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCCCN2C)cc1Cl 824313215 VDQASCZPCLGRNW-ZDUSSCGKSA-N 353.850 2.738 0 50 FFAA Cc1cc2nc(C(=O)NC3CCN(Cc4cccs4)CC3)cc(C)n2n1 825292246 FSKHGDNNXAGHPU-UHFFFAOYSA-N 369.494 2.802 0 50 FFAA COCCO[C@@H](C)c1nnc2n1CCN(C(=O)OC(C)(C)C)C(C)(C)C2 865215186 KQIGKLGLVSLDGO-ZDUSSCGKSA-N 368.478 2.574 0 50 FFAA CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cc(C)co1 1875357124 ZKVATIALYIKMSK-AWEZNQCLSA-N 351.424 2.829 0 50 FFAA Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ncc(Cl)cn1)C2 1875336282 BRVDZCLVQYFEQT-UHFFFAOYSA-N 359.861 2.601 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)O[C@@H](C)C2)CC1 1875367288 ODIQLLLNEXBWMM-LPHOPBHVSA-N 356.466 2.790 0 50 FFAA COC(=O)C1(C(=O)N2CC(C)(C)[C@@H]2c2nccn2-c2ccc(F)cc2)CC1 952890857 KRVKQZZKPPJXLF-HNNXBMFYSA-N 371.412 2.874 0 50 FFAA O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@@](O)(C2CC2)C1 1875268025 SVXPHKCIKMRFBW-IBGZPJMESA-N 362.857 2.844 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)n1 952967823 MGEGOVOVXLWVJA-UHFFFAOYSA-N 366.425 2.794 0 50 FFAA COc1ccccc1-n1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1 952965772 BZTLYWKQIDJFGY-INIZCTEOSA-N 354.410 2.507 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)NCC2(CN3CCN(C)CC3)CC2)cc1 952974889 VNEYYHTXRDMDHE-KRWDZBQOSA-N 361.555 2.619 0 50 FFAA O=C(c1ccc(NCc2cc3n(n2)CCCC3)cc1)N1CCC(CO)CC1 888094366 NDQWPNQMVJDVMM-UHFFFAOYSA-N 368.481 2.676 0 50 FFAA Cc1csc2ncc(C(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)c(=O)n12 272099032 PLNKBHYOAXYJCN-CQSZACIVSA-N 371.437 2.908 0 50 FFAA COc1ccc(Cc2c(C)nc(N[C@H]3CCCCNC3=O)nc2C)cc1 170597249 OYGLBRPVZMIQBP-SFHVURJKSA-N 354.454 2.773 0 50 FFAA Cc1cncn1C1CCN(C(=O)c2cnn(C)c2-n2c(C)ccc2C)CC1 170600587 JXEMJNBVOSGKIZ-UHFFFAOYSA-N 366.469 2.810 0 50 FFAA O=C(NCCc1csc2ccccc12)N1CCN(c2cccnn2)CC1 171015110 PYMNOEIQRQSOJE-UHFFFAOYSA-N 367.478 2.766 0 50 FFAA Cn1cc(-c2ncc(C(=O)N3CCC(c4ccncc4)CC3)s2)cn1 192279588 OXBYQQXSTLZUCI-UHFFFAOYSA-N 353.451 2.958 0 50 FFAA CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OC)c2F)cc1 192672771 QIJGLYAKSVWSRA-GFCCVEGCSA-N 352.431 2.593 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCOc2ccc(F)cc21 195239311 QQDWOAVGQDBNBO-AWEZNQCLSA-N 351.399 2.945 0 50 FFAA CC(C)(CO)N(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(Cl)c1 1506422242 QISRHEXDMFEETO-UHFFFAOYSA-N 372.849 2.836 0 50 FFAA CNc1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc(N)n1 1704325043 JBQYXSKENRBUHM-UHFFFAOYSA-N 364.453 2.650 0 50 FFAA CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCC(=O)O 981438 DMYBNYPQJQOIKP-RIYZIHGNSA-N 365.407 2.993 0 50 FFAA CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860073 SMROHIISWTXYHD-CQSZACIVSA-N 372.918 2.797 0 50 FFAA COc1ccnc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)c1 1857666559 GZKMNDPDAFWDTF-RRMPHLOHSA-N 366.417 2.781 0 50 FFAA COc1cccc(-c2ccc(C(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)o2)c1 1857668988 BAENUVASEJMPKW-VBKZILBWSA-N 371.389 2.519 0 50 FFAA O=C(CCC(F)(F)F)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857714666 GQANIOBVRWOWFA-KLZNWCGWSA-N 360.420 2.867 0 50 FFAA CCc1c[nH]c(=N)nc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857719131 DWFFTEUSLGGIMP-QZTJIDSGSA-N 368.481 2.703 0 50 FFAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cn2)c(C)c1 110121491 TZJGGJCEEFOASU-UHFFFAOYSA-N 361.467 2.644 0 50 FFAA CS(=O)(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)c2ccsc2)CC1 328656736 ZQGYTBSXHUEKMP-OAHLLOKOSA-N 356.513 2.557 0 50 FFAA COc1cccc([C@@H]2CN(S(=O)(=O)c3cc(F)ccc3C)CCO2)c1 123591532 WXTMLYXAFHLFLS-KRWDZBQOSA-N 365.426 2.905 0 50 FFAA O=C(NCCc1ccccc1)N1CCC(CO)(C[C@H]2CCCCO2)CC1 23231597 BECCCIQWZJGTJZ-LJQANCHMSA-N 360.498 2.972 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](CC(C)C)C(=O)O 262424436 DBVDQDGGHLUWHK-AEFFLSMTSA-N 358.438 2.814 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(c2ncnc3ccsc23)C[C@@H]1O 1704325361 KRXUDNMVVXJOFA-HNAYVOBHSA-N 369.446 2.576 0 50 FFAA O=C(OCc1nc(Cc2ccccc2)no1)c1ccc(-c2cnccn2)cn1 2325721439 DUDSJQZSSRVUIU-UHFFFAOYSA-N 373.372 2.869 0 50 FFAA CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)c1cc2sccc2n1C 2325781166 RRHPXJBXKZXROT-NSHDSACASA-N 373.438 2.512 0 50 FFAA CC1(C)C[C@@H]1[C@H](NC(=O)c1ccnc(N2CCC(N)CC2)c1)C(F)(F)F 2325786392 HXMJSRSKNFWOKE-HIFRSBDPSA-N 370.419 2.716 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cccc2ccccc12 634490 FDBAOPYWZLQNCI-UHFFFAOYSA-N 355.419 2.640 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 858076 AATKICJGJTXIHV-RDJZCZTQSA-N 354.406 2.876 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccncc1 944734 OPDGFJDKRIBNRI-UHFFFAOYSA-N 360.420 2.591 0 50 FFAA CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(OC)cc1 1070123 QXUFOZSVWYLAPU-UHFFFAOYSA-N 368.499 2.545 0 50 FFAA COc1cc(-c2nnc3sc(-c4ccncc4)nn23)cc(OC)c1OC 2439529 VZJCMTLGBILMKU-UHFFFAOYSA-N 369.406 2.941 0 50 FFAA Cc1ccc(CN2CCN(C(=O)CCc3cccnc3)[C@H](C)C2=O)cc1 55099599 PKINJPFVKHBMAC-QGZVFWFLSA-N 351.450 2.582 0 50 FFAA CCN1C[C@H](CN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)Oc2ccccc21 248070888 AURNTZFOBLLTGS-BZSNNMDCSA-N 359.514 2.901 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)o1 104395547 UJIFBDMGTAPNMQ-LJQANCHMSA-N 358.482 2.803 0 50 FFAA O=C(NCCC1=CSC2=NCCCN12)c1cnn(Cc2ccccc2)c1 102733688 MNHJFYHVBHZTFU-UHFFFAOYSA-N 367.478 2.701 0 50 FFAA CC(C)Oc1ccccc1CNC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 240886168 INMLJQADOSQOIC-IAGOWNOFSA-N 364.486 2.791 0 50 FFAA Cc1nn(CC(=O)O)c2c1[C@@H](c1[nH]c3c(C)cccc3c1C)CC(=O)N2 67805081 WOAKJKHZNYNUNJ-ZDUSSCGKSA-N 352.394 2.848 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](Cn3cc(C4CC4)nn3)C2)n(C)n1 63833833 WGNPMJGCJGNXJV-HNNXBMFYSA-N 370.501 2.640 0 50 FFAA O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCC(n2ncc3c2CNC3)CC1 333597961 PZOHITIEDVGQOQ-DENIHFKCSA-N 362.477 2.554 0 50 FFAA O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC(c2nnc[nH]2)CC1 120960728 YIFVQBZGBULXIW-ZDUSSCGKSA-N 355.225 2.551 0 50 FFAA CN1CCN(c2ncccc2CNc2ccc(-c3ccccc3)nn2)CC1 12073140 VLKTXVMVBATIQQ-UHFFFAOYSA-N 360.465 2.903 0 50 FFAA CN1CCC(CN2CCN(Cc3cn[nH]c3-c3cccc(F)c3)CC2)CC1 215989294 OPKYVFKMMHEUOK-UHFFFAOYSA-N 371.504 2.675 0 50 FFAA COc1cccc(N2C[C@H](n3ccnc3-c3ccc(CO)o3)CC2=O)c1 77536677 MPHAMJNRGBUAJW-CQSZACIVSA-N 353.378 2.622 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O 329817805 FKTCHBKVAYCWCU-DFEOGRTESA-N 351.487 2.959 0 50 FFAA COc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)n1 71712046 VJUMMAWOTLCFRS-LBPRGKRZSA-N 355.225 2.952 0 50 FFAA NC(=O)CCn1cc(CN2CCC3(CCOCC3)CC2)c2ccccc21 72143716 XNWKNRRXHGFKBQ-UHFFFAOYSA-N 355.482 2.909 0 50 FFAA O=C(N[C@@H]1COc2ccccc2C1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 173094003 LDAOVOYEGCOGJD-BBWFWOEESA-N 351.402 2.681 0 50 FFAA Cn1c(=O)c(CN2CCC3(CC2)c2ccccc2C[C@@H]3O)cc2ccccc21 72145270 SIEHAOXAWKLURN-QFIPXVFZSA-N 374.484 2.989 0 50 FFAA Cc1ncc(NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cn1 333636826 RTSQGINZJBRIFX-CYBMUJFWSA-N 358.364 2.998 0 50 FFAA CN1CCC(=O)Nc2cc(C(=O)N3CCC(OC4CCC4)CC3)ccc21 333191152 SDVQXIHNTCHEBD-UHFFFAOYSA-N 357.454 2.639 0 50 FFAA O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCc2ccccc2CC1 367400992 XHPQHFADGIIHND-GOSISDBHSA-N 355.459 2.575 0 50 FFAA CC(=O)c1cn([C@@H](C)C(=O)NCCSc2nc(C)n[nH]2)c2ccccc12 219296821 LMQJRMCBKVAXPL-NSHDSACASA-N 371.466 2.740 0 50 FFAA O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1S(=O)(=O)C1CCC(C(F)(F)F)CC1 333812471 IHWDJOFAKVHJGM-MGYRSQIZSA-N 367.433 2.970 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cn(-c2ccccc2)nn1 72165361 AAUCQDRBWHMJOH-CQSZACIVSA-N 364.405 2.872 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 238077666 ULNRSNYCKIZETJ-MZEUMTGBSA-N 352.390 2.749 0 50 FFAA COCCOCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 72145487 CGWPWHIFNWWUKZ-LJQANCHMSA-N 366.477 2.548 0 50 FFAA COc1cccc([C@H]2CN(C(=O)Cc3sc(S)nc3C)CCO2)c1 130779667 REUAGXAPMOULDI-CQSZACIVSA-N 364.492 2.891 0 50 FFAA Cc1ccncc1CCCN1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 377704187 VZQHAIGYTINLSJ-RTBURBONSA-N 361.486 2.692 0 50 FFAA C[C@@](O)(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccco1 173696142 SYTHEIPJKVLRRR-HXUWFJFHSA-N 369.421 2.661 0 50 FFAA CN(CCC[C@@H]1CCCO1)c1nc(-c2cccnc2)nc2c1cnn2C 72123962 KEDJJORREUMLMB-OAHLLOKOSA-N 352.442 2.821 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1F 72150194 BZHHOYLAZYIQLH-MOPGFXCFSA-N 354.425 2.682 0 50 FFAA C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@H]1CCCc3ccccc31)C2=O 239432768 WJFZVRPDUVZPJG-FNXXIHLHSA-N 369.465 2.681 0 50 FFAA CC(C)n1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cn1 72167770 VGHJNXULRYTFDH-UHFFFAOYSA-N 352.438 2.614 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(O)c1 71776018 CZMMSUIFEPCITL-GOSISDBHSA-N 358.369 2.703 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1CCCN(Cc2cccnc2)C1 219399730 IYSRFPSMSNMFSA-INIZCTEOSA-N 359.857 2.764 0 50 FFAA CS(=O)(=O)N1CC[C@@H](CSc2nnc(-c3ccccc3Cl)o2)C1 242155936 WUNBGZNYXMFVKA-SNVBAGLBSA-N 373.887 2.764 0 50 FFAA O=C(Nc1cc(C2CCCC2)[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 133864305 SGAZBWPBYDINOG-SFHVURJKSA-N 354.454 2.907 0 50 FFAA Cc1c(NC2CCC(C(=O)O)CC2)nn2c(C(F)(F)F)nnc2c1C 263567130 XDJWKCYRJOETCZ-UHFFFAOYSA-N 357.336 2.815 0 50 FFAA CN=c1cc[nH]c(-c2ccc(C(=O)NCCCc3scnc3C)cc2)n1 426405732 OSVGZTMWLDPCHY-UHFFFAOYSA-N 367.478 2.735 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCC(=O)c1cccc2ccccc12 222417382 XBGKIYSUPIIOII-KKXYHZGYSA-N 367.445 2.969 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 225645113 CDXZRWCETYMXEM-WISYIIOYSA-N 361.703 2.952 0 50 FFAA O=C([C@@H]1CCc2ccccc21)N1CCN(CCOc2ccccc2)CC1 512037066 DVDPKRZQDHQAQT-OAQYLSRUSA-N 350.462 2.940 0 50 FFAA C[C@@H]1CCCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)[C@@H]1CN 237521064 XWDGTODBGPJCOX-IUODEOHRSA-N 373.478 2.781 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1cccc(Cn2cccn2)c1 91270593 OFLMGFKQZIUENF-SFHVURJKSA-N 363.417 2.891 0 50 FFAA Cc1ccccc1CN1CCC(CN(CC(=O)O)C[C@@H]2CCCO2)CC1 95528966 XOMDBWKOLYBTKG-FQEVSTJZSA-N 360.498 2.773 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3nc(C4CC4)no3)CC2=O)cc1 91519209 GREROSSXKRUCBX-HNNXBMFYSA-N 368.437 2.740 0 50 FFAA O=C(NCc1ccc(-n2cccn2)cc1)c1cnc(-c2cccnc2)nc1 95375815 RUGDPEJJFRUMDO-UHFFFAOYSA-N 356.389 2.654 0 50 FFAA COc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)o1 91746365 FYRCGFPNRZYAPL-UHFFFAOYSA-N 372.469 2.657 0 50 FFAA CC(C)Cc1cc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)[nH]n1 97602503 BDMDLTMAPRZZBQ-FQEVSTJZSA-N 353.422 2.858 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(C(=O)C2CC2)CC1 91707160 NLNUWFZMDKRHHS-IBGZPJMESA-N 356.466 2.837 0 50 FFAA CCc1c(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)oc2ccccc12 294868470 HHNZGKJXGDIZDF-OAHLLOKOSA-N 366.421 2.572 0 50 FFAA O=C(OCc1ccccc1)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95531746 CKZVREPHESUEJT-DOTOQJQBSA-N 371.462 2.903 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 91950736 YJKDFRYRQDQQRE-QGZVFWFLSA-N 364.453 2.563 0 50 FFAA Cc1ccc2nc(C(=O)N[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cn2c1 91412488 DQWFVGFTCMBFQX-CYBMUJFWSA-N 368.824 2.831 0 50 FFAA O=C(NCCCn1nnc2ccccc21)[C@@H]1CCOc2ccccc2C1 95505462 QPZAAACFRAPOJX-MRXNPFEDSA-N 350.422 2.579 0 50 FFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@@H]1CC(=O)N(Cc2ccco2)C1 181057637 QDWFOKVOEJLFLD-CXAGYDPISA-N 372.396 2.797 0 50 FFAA Cc1ccccc1SCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 244873279 WNGLEXJVENFZTQ-HDJSIYSDSA-N 372.494 2.568 0 50 FFAA Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc(-c3ccccn3)no2)nc1 244605536 FAJNFOVXEBZYEG-HNNXBMFYSA-N 364.409 2.611 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252553260 VIUXCWHTSTVSEG-FVJLSDCUSA-N 370.449 2.787 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C2 299750899 ORMZWDGIULRITN-ZDUSSCGKSA-N 359.378 2.505 0 50 FFAA Cc1ccc(NCCCNC(=O)N2CC(Oc3cccc(C)c3)C2)nc1 534640119 VMZZOMJAVBLICV-UHFFFAOYSA-N 354.454 2.973 0 50 FFAA O=C(Cn1cc(-c2ccccn2)cn1)Nc1ccn(Cc2ccccc2)n1 48148028 ISXVJKPJXSKMHR-UHFFFAOYSA-N 358.405 2.829 0 50 FFAA Cc1cc(C(=O)NCCc2noc(C3CCCC3)n2)c2c(C)nn(C)c2n1 299791802 FTYNXHGNNZOKTH-UHFFFAOYSA-N 368.441 2.598 0 50 FFAA Cn1ccnc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 299798829 SORVHFQQDIFRNL-FTRWYGJKSA-N 353.422 2.531 0 50 FFAA CN1CCCN(C)C2(CCN(C(=O)CCc3ccc(F)c(F)c3)CC2)C1 299796487 NRTPZUIEDLJKMM-UHFFFAOYSA-N 365.468 2.526 0 50 FFAA CNC(=O)C1(NC(=O)c2cnc3cc(Cl)ccc3c2O)CCCCC1 299786453 UJINAAWCZFJTMS-UHFFFAOYSA-N 361.829 2.773 0 50 FFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCN2CCCCCC2=O)C1 299800334 WYRFGGORDOJDEW-IBGZPJMESA-N 371.525 2.726 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)N1CC(c2ccccn2)C1 584890437 RTCSIDWDIYMHPN-FQEVSTJZSA-N 365.481 2.813 0 50 FFAA Cc1ccc(CC2(NC(=O)N3CCN(Cc4cccnc4)CC3)CC2)cc1 584888212 YOIVLDVOMXJNIQ-UHFFFAOYSA-N 364.493 2.993 0 50 FFAA O=C(CCc1ccsc1Br)N1CCc2c(O)ncnc2C1 1875293483 RRZZOJPJKCGNJY-UHFFFAOYSA-N 368.256 2.524 0 50 FFAA Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2CN=c2[nH]c3ccccc3o2)co1 1875326395 ABAMVSNRDYSGEC-UONOGXRCSA-N 354.410 2.947 0 50 FFAA CN(Cc1nccn1CC(F)F)C(=O)c1cc(O)nc2ccc(F)cc12 1875322548 WGFJMNQAHKAAAL-UHFFFAOYSA-N 364.327 2.813 0 50 FFAA C[C@@H]1Cc2cccc(S(=O)(=O)NCc3conc3C(C)(C)C)c2O1 1875317442 ZDDNMGKNXMTLOM-LLVKDONJSA-N 350.440 2.774 0 50 FFAA Cc1cc(CC2(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)CC2)ccc1F 1875403182 QZGYLCLXMRGMLZ-QXAKKESOSA-N 371.456 2.609 0 50 FFAA CCc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3cc(C)oc3C)C2)o1 952889839 IDFGCBKERXFDSA-OLZOCXBDSA-N 353.444 2.532 0 50 FFAA O=C1CC[C@H](NCc2noc(Cc3cccs3)n2)CCN1CC1CC1 1506403362 ACZMHDNMRDLLRQ-AWEZNQCLSA-N 360.483 2.603 0 50 FFAA O=C(CC[C@H]1C(=O)Nc2ccccc21)NC[C@H]1CCCN2CCCC[C@@H]12 952963963 NQPLYMBDQRIUDK-SUMDDJOVSA-N 355.482 2.883 0 50 FFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)Cc2cccc3cccnc23)C1 886077763 FKUDGPFKQIPYKY-QRVBRYPASA-N 353.466 2.535 0 50 FFAA CCC[C@@H](NC(=O)[C@@H]1CCOC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1 888093304 SDLKNNIUWKTUTL-ZIAGYGMSSA-N 357.410 2.799 0 50 FFAA O=C(N[C@H](CO)c1cc(F)ccc1F)c1ccc(OCC(F)(F)F)o1 1348832638 VFDNRQCJFHMBLR-LLVKDONJSA-N 365.254 2.962 0 50 FFAA Cn1cc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c([C@H]2CCOC2)n1 275242408 FMANKHHCXBTZDC-LBPRGKRZSA-N 368.412 2.743 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC[C@H]2c2nncn2C)ncn1 275693594 MYFGAJXPLCGNMG-MPGHIAIKSA-N 371.489 2.562 0 50 FFAA Cn1nnnc1-c1cccc(NC(=O)c2cnc(-c3ccccn3)s2)c1 171406186 VCTUTEKXJGLFKC-UHFFFAOYSA-N 363.406 2.648 0 50 FFAA C[C@H]1CN(c2ccnc3cc(C(F)(F)F)ccc23)CCN1S(C)(=O)=O 302033127 STZQOPPOKVDCPJ-NSHDSACASA-N 373.400 2.724 0 50 FFAA CC(C)(C)n1cc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)nn1 190755650 VERPFYXBAARCND-AWEZNQCLSA-N 361.515 2.737 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3ccc(OCC4CC4)cc3)CCO2)cn1 191786660 XQJCJJHBAFFMIV-IBGZPJMESA-N 355.438 2.906 0 50 FFAA O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccncc1C(F)(F)F 192241276 MTCOQZQALHIUKE-UHFFFAOYSA-N 351.332 2.834 0 50 FFAA O=C(c1ncc[nH]1)N1CC[C@H]2[C@H](CCC(=O)N2CCC2=CCCCC2)C1 216946119 FLKIBODZIMCFQZ-SJORKVTESA-N 356.470 2.753 0 50 FFAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(N2CCCCC2)cc1 1704332518 ZAHGZCZZJJWCHU-UHFFFAOYSA-N 355.486 2.604 0 50 FFAA CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 12456325 RIENIWYMKZNSQX-KRWDZBQOSA-N 363.546 2.748 0 50 FFAA COc1cccc(OCc2nc(C(=O)N[C@@H]3CCOC(C)(C)C3)co2)c1 12596036 GBTZTPJHDQQUJW-CYBMUJFWSA-N 360.410 2.950 0 50 FFAA CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 16651618 MPCPNANQMHCMKW-UHFFFAOYSA-N 356.513 2.579 0 50 FFAA CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860655 PCFWPVUYKHGEKE-CQSZACIVSA-N 372.918 2.797 0 50 FFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NCCCc1csc(=N)[nH]1 1857678220 IXTXFOKPSGQUKE-UHFFFAOYSA-N 359.430 2.756 0 50 FFAA O=C(NCc1csc(-c2ncccn2)n1)[C@H]1CC[C@H](c2ccccc2)N1 1857714725 JBQMGELYTSXCKI-HZPDHXFCSA-N 365.462 2.710 0 50 FFAA N[C@@H]1C[C@@H](c2nc(-c3c[nH]c4ccccc34)nn2-c2ccccn2)CC[C@H]1O 1857715555 XFTLJPCCCRLVDI-FDQGKXFDSA-N 374.448 2.766 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C/C=C/c3ccccc3)C[C@]23CC[C@H]1O3)C1CC1 1857723968 FKXNYHORFSNMJD-HDJIUUIOSA-N 352.478 2.705 0 50 FFAA CCN1CCN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)[C@H](C)C1 421918157 WKMSBKQPKHRTKS-OAHLLOKOSA-N 370.472 2.975 0 50 FFAA COCc1ccccc1CNC(=O)CC1(C(=O)O)Cc2ccccc2C1 237171576 WGIJMQCVTHQPPK-UHFFFAOYSA-N 353.418 2.709 0 50 FFAA O=C1NCCC[C@@H]1NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 252680168 WVZFCFOQGOGIPQ-GUTXKFCHSA-N 355.463 2.741 0 50 FFAA C[C@@H](N)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 261773033 IWQYBFXCWDULAG-SNVBAGLBSA-N 354.237 2.879 0 50 FFAA CN(C)c1ccncc1CNC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 372302597 SNNZAJKBOZWSEN-CQSZACIVSA-N 358.873 2.944 0 50 FFAA O=C(N1CC[C@H](n2cncn2)C1)C1(c2ccccc2Br)CC1 372749257 HTFHYIQWHDPADG-LBPRGKRZSA-N 361.243 2.546 0 50 FFAA C[C@@H]1C[C@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CCO1 263277947 YGHZZUAUXHAOSP-DGCLKSJQSA-N 370.243 2.677 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 263414475 JOZBSVAWJQDWIF-UHFFFAOYSA-N 358.825 2.996 0 50 FFAA O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H](n2cncn2)C1 265011570 AUQQFNKKBODISE-LBPRGKRZSA-N 361.254 2.611 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cnn(Cc2ccccc2)c1Br 824786892 UFFNWEXJCJWFHT-ZDUSSCGKSA-N 364.243 2.603 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1cc2ccccc2nc1O 858008671 UUVBYNDOZDMXSP-MAUKXSAKSA-N 352.438 2.931 0 50 FFAA CCCc1nnc(NC(=O)C[C@H]2CCCN(c3nc4ncccc4o3)C2)o1 2100482385 VPEMBNJATUIEBZ-GFCCVEGCSA-N 370.413 2.804 0 50 FFAA c1cc2c(cc1CCNc1nnc(-c3ccc4c(c3)OCO4)o1)OCCO2 849161285 HMBNARQGHFYDKQ-UHFFFAOYSA-N 367.361 2.891 0 50 FFAA CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C[C@H](C(=O)O)O1 2325812972 YRGGMWMEUQLVMY-OUCADQQQSA-N 371.355 2.900 0 50 FFAA C[C@@H](O)c1n[nH]c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)CCC3(C)C)n1 2325851896 LYEUMYXGZVOTME-GHMZBOCLSA-N 356.426 2.603 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@]3(CCCC[C@H]3O)C2)cc1 2325888054 WRIUDXWLEFPPIJ-NQIIRXRSSA-N 356.466 2.646 0 50 FFAA CSc1ncc(C(=O)Nc2ccnc(N(C)C)n2)n1-c1ccc(F)cc1 151355285 RQLUVWHAEDYMJM-UHFFFAOYSA-N 372.429 2.842 0 50 FFAA Cc1nc(NC(=O)c2ccc(Br)o2)sc1C(=O)N(C)C 657207 PJGYTPLUDCLCRR-UHFFFAOYSA-N 358.217 2.761 0 50 FFAA COc1cc(C(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc(OC)c1OC 893236 IHBIFAFLCFSOQP-INIZCTEOSA-N 374.481 2.827 0 50 FFAA COCc1cc(CN2CCC[C@]23CCCN(C2CC2)C3=O)ccc1OC 2356150287 VEWVPXHSCKHSBR-OAQYLSRUSA-N 358.482 2.961 0 50 FFAA CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1 2866886 WRBJNQKVEUNTJW-UHFFFAOYSA-N 361.448 2.556 0 50 FFAA O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCc2ccncc2)c1 6703459 ANVBURWFNWYPMK-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1 6971084 GKJDYZZBRNPQHP-UHFFFAOYSA-N 370.428 2.678 0 50 FFAA Cc1nc(CCC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n[nH]1 67515389 OROBNGNOZRYVPK-AWEZNQCLSA-N 369.252 2.953 0 50 FFAA CC(C)Oc1ccccc1CNC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 240886167 INMLJQADOSQOIC-DLBZAZTESA-N 364.486 2.791 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCCOCC3)nc2)C1 67515428 DOTKVXWIUNLNOL-GOSISDBHSA-N 373.497 2.776 0 50 FFAA Cc1ccn2ncc(C(=O)N3CCC(OCc4ccccc4F)CC3)c2n1 121504556 FJIKIDLGNXQMNN-UHFFFAOYSA-N 368.412 2.998 0 50 FFAA CC(C)C(=O)NCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67689348 WYKFUNQCSWCIIO-HNNXBMFYSA-N 372.444 2.694 0 50 FFAA CC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 11668005 JOXZZINFVHGYDU-QGZVFWFLSA-N 355.404 2.838 0 50 FFAA O=C1C[C@H](c2ccc3cccc(O)c3n2)c2c(nc3sccn23)CN1 65434218 CKGDOEKLRCIHEW-LLVKDONJSA-N 350.403 2.801 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O 155199875 SLSSJYIJEGJJSA-AWEZNQCLSA-N 352.360 2.676 0 50 FFAA CSc1cccc(NC(=O)NCCNc2cc(N(C)C)nc(C)n2)c1 38670712 MDQNBEUTSPJHNT-UHFFFAOYSA-N 360.487 2.807 0 50 FFAA Cn1cnnc1C1CCN(C(=O)Nc2nc(-c3ccccc3)ns2)CC1 125936734 AWXDCZLVMRZNML-UHFFFAOYSA-N 369.454 2.745 0 50 FFAA O=C1OC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1CCOc1ccccc1 77470979 JWGLIOJLLIIIEU-UHFFFAOYSA-N 369.421 2.521 0 50 FFAA O=S(=O)(NCc1ccccc1)Nc1ccccc1OC[C@H]1CCCO1 71762879 KYAKREXKQFKFPY-MRXNPFEDSA-N 362.451 2.691 0 50 FFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc2nc(S)oc2c1 157438398 ZNWKKRSHXMEFKM-MEDUHNTESA-N 350.465 2.901 0 50 FFAA NC(=O)COc1ccccc1-c1nc2c(cnn2C[C@@H]2CC=CCC2)[nH]1 32597730 AVFSOZCVNYSXMH-CYBMUJFWSA-N 351.410 2.647 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(c3ncccc3Cl)CC2)C1 71748561 SYLSQWXVVNKRON-CQSZACIVSA-N 362.905 2.694 0 50 FFAA COCCc1cc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)n(C)n1 378175578 KTBRTCVKDOOLIL-KRWDZBQOSA-N 360.433 2.987 0 50 FFAA Cc1cc(-n2cccn2)ccc1-c1nccn1C[C@H](C)N1CCN(C)CC1 77556221 NXCCRBKQEFAXQP-SFHVURJKSA-N 364.497 2.680 0 50 FFAA COc1ccc(F)c(-c2nc(CN(C)Cc3cnc(N)nc3)c(C)o2)c1 71661458 QGZXUVGDKRIDEJ-UHFFFAOYSA-N 357.389 2.802 0 50 FFAA CNc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cn1 77523844 IFNHKNUYCKCZAT-GOSISDBHSA-N 353.470 2.947 0 50 FFAA CC(C)c1nc(N2CCC(N3CCSCC3)CC2)c2cnn(C)c2n1 72150606 LJOAHVBCXPDRGZ-UHFFFAOYSA-N 360.531 2.504 0 50 FFAA CCCN(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O 77555282 QWZHQEUKACMQNH-UHFFFAOYSA-N 374.828 2.816 0 50 FFAA CCN(CC)c1ccc(C(=O)N2CCN(c3nc(C)cnc3C)CC2)cc1 223418444 JKFDBFVSIQUESR-UHFFFAOYSA-N 367.497 2.902 0 50 FFAA CN(C)Cc1cn(CC2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48353758 GCUGSZSNFCVCIR-UHFFFAOYSA-N 361.534 2.939 0 50 FFAA CSc1cccc(CC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)c1 82115676 BTPVEOHXDVYTIB-HNNXBMFYSA-N 357.479 2.806 0 50 FFAA COc1cccc(-c2nn3c(CN4CCCCC4)nnc3s2)c1OC 40287459 JWNPGKYJEJUAJZ-UHFFFAOYSA-N 359.455 2.856 0 50 FFAA CCC(=O)N1CCC(C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 40456123 KQDBSEZCEGMJBY-UHFFFAOYSA-N 354.834 2.944 0 50 FFAA O=C(NCCSc1nc[nH]n1)N1CCC(c2nc3ccccc3o2)CC1 426556041 SJUQHUBPKDVNJD-UHFFFAOYSA-N 372.454 2.627 0 50 FFAA CN(C)[C@@H](C(=O)NCc1cnn(Cc2ccccc2)c1)c1cccc(F)c1 95375588 YIGRPWXEWMOHGS-HXUWFJFHSA-N 366.440 2.990 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCC(Oc3ncccn3)CC2)c1 97370483 YWEMEMBPDIIVCT-UHFFFAOYSA-N 363.421 2.859 0 50 FFAA Cn1ccnc1CN1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 91444628 NBQRGZBGTWMFAY-UHFFFAOYSA-N 356.514 2.671 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CCN3CCOCC3)[nH]n2)o1 91486174 WPOIZEXZSQXQSP-MRXNPFEDSA-N 372.469 2.695 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc2sc(N)nc12 95499099 JMQOETGYTZATSM-LBPRGKRZSA-N 355.467 2.940 0 50 FFAA Cc1cc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)n(C2CCCC2)n1 95515113 ZNBBLPNVOMTQQZ-UHFFFAOYSA-N 371.441 2.890 0 50 FFAA CCC(=O)Nc1ccc(F)c(NC(=O)NCCSc2nc(C)n[nH]2)c1 96133206 JRILWZPDFMTCRK-UHFFFAOYSA-N 366.422 2.515 0 50 FFAA CCc1nn(C)c(NC(=O)N[C@@H](c2ccccc2)c2nccn2C)c1C 96148500 DSUXRTGYAYAODO-INIZCTEOSA-N 352.442 2.936 0 50 FFAA COc1ccc(Cc2nc([C@@H]3COc4ccccc4C3)n(CCO)n2)cc1 96166480 JPOOLVHHJWWKHO-KRWDZBQOSA-N 365.433 2.589 0 50 FFAA COc1ccccc1-n1nc(C)nc1Cc1ccc(S(C)(=O)=O)cc1 96166051 HYFCOXDDYYCBNT-UHFFFAOYSA-N 357.435 2.579 0 50 FFAA O=C(NC[C@@H](CO)Cc1ccsc1)Nc1cccc(N2CCCC2=O)c1 96179862 QRPDFHFKJZOMAJ-HNNXBMFYSA-N 373.478 2.848 0 50 FFAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)C(c1ccccc1)c1ccccc1 96152695 VCOUIWCGBRSEGQ-GOSISDBHSA-N 361.401 2.580 0 50 FFAA CNC(=O)c1ccc(Cn2cc(-c3ccc([C@H]4CCCCO4)o3)nn2)o1 91876661 GSIJGHNOJMJVRM-OAHLLOKOSA-N 356.382 2.781 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CSCCN2CCCC2)n1 91644677 SNKQMTDXGUEJCM-AWEZNQCLSA-N 352.504 2.686 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@]2(CCCO2)[C@@]12CCCO2 257358158 RZAWMJIEWNGUAL-HLDKGHONSA-N 365.429 2.706 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(CN2CCCC2=O)c1 299751147 PRRZSSBNXHOCGO-NXHRZFHOSA-N 370.449 2.667 0 50 FFAA Cn1nc(CNC(=O)N2CCC[C@H]2Cn2cccn2)c2c(Cl)cccc21 534670782 AQQHVUIOEYIMMH-ZDUSSCGKSA-N 372.860 2.797 0 50 FFAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCc2nnc(N)s2)c1 299756633 GFRNKMMOKZCWDG-LBPRGKRZSA-N 360.487 2.816 0 50 FFAA Cc1c(Cl)cccc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299777426 OEDVWRRSAYLUGQ-UHFFFAOYSA-N 374.872 2.773 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCc2cnc3c(c2)CCC3)CC1 584893303 AVOIQDJNZLSEON-UHFFFAOYSA-N 365.481 2.696 0 50 FFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NCC(C)(C)CN1CCCC1 1875327649 DEDLVCHRDOOUPR-UHFFFAOYSA-N 360.893 2.851 0 50 FFAA Cn1cc(C(=O)N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)nc1O 952891974 DHHLDANUEYEDRP-UHFFFAOYSA-N 365.437 2.536 0 50 FFAA O=C(O)CC[C@H](Cc1ccccc1)NC(=O)C[C@H](O)Cc1ccccc1 1875270947 QHPDRMBKBYIUSY-RTBURBONSA-N 355.434 2.572 0 50 FFAA COC(=O)[C@H](C[C@@H]1CCOC1)NC(=O)[C@H](C)Oc1cccc2ccccc12 1875297730 BRRQSRBKDRZLDH-MPGHIAIKSA-N 371.433 2.692 0 50 FFAA O=C(/C=C/c1cc(CO)cs1)NC[C@H](O)C12CC3CC(CC(C3)C1)C2 952973057 XKRRJNQSPNUWQI-IEKKTJLLSA-N 361.507 2.947 0 50 FFAA Cc1c(NC(=O)c2cn(-c3ccccc3)nn2)cccc1-c1nncn1C 952863012 AKRDPPPDSPONMT-UHFFFAOYSA-N 359.393 2.624 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cccnc2SC)cc1OC 952967396 KOBMGPVZFDOXMQ-UHFFFAOYSA-N 361.423 2.649 0 50 FFAA CO[C@@H]1Cc2ccccc2N(C(=O)c2cc(Cn3cccn3)on2)[C@@H]1C 886084627 RVMJIEWOMGUDAU-FZKQIMNGSA-N 352.394 2.526 0 50 FFAA Cc1nc(C2CC2)oc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 273560379 MWTTZLSMUVIARP-UHFFFAOYSA-N 366.421 2.981 0 50 FFAA Cc1cn2c(CN(C)C(=O)c3c[nH]nc3[C@@H]3CCOC3)c(C)nc2s1 275886920 LNWLPPIGCYQFQI-GFCCVEGCSA-N 359.455 2.512 0 50 FFAA C[C@H]1CCc2nc(NC(=O)NCC(=O)N3CCc4ccccc43)sc2C1 170616736 FBQLQTSCVRDCBM-LBPRGKRZSA-N 370.478 2.979 0 50 FFAA Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3C)C2)no1 171429678 JLWJKJXNLZCOAD-CYBMUJFWSA-N 369.874 2.983 0 50 FFAA CCc1ccccc1S(=O)(=O)N1CCC(OC[C@H]2CCCCO2)CC1 187367379 LDBDWWXFKKUPGG-GOSISDBHSA-N 367.511 2.988 0 50 FFAA COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1COCCN1CC1CCC1 187364951 IDCZTCGKACMFRK-CZUORRHYSA-N 350.434 2.512 0 50 FFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(C(N)=O)s1 188798518 STDHXAVGJGSTJD-UHFFFAOYSA-N 357.435 2.548 0 50 FFAA C[C@H]1CN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)c2cccnc2O1 189587533 HZUDUCWKWKQZTE-NSHDSACASA-N 355.785 2.743 0 50 FFAA Cc1ncsc1C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 11844545 HKIOAWITZIOJNP-AWEZNQCLSA-N 363.870 2.678 0 50 FFAA CC(C)C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11971628 IRYQNVDFLFWBSH-QGZVFWFLSA-N 373.474 2.833 0 50 FFAA COc1ccc(N2C[C@H](C(=O)N3CCc4ccccc4C3)CC2=O)cc1 12274772 LKZDSLACTLASDZ-QGZVFWFLSA-N 350.418 2.633 0 50 FFAA COC(=O)c1ccc(CNC(=O)c2cc(COc3ccccc3)[nH]n2)cc1 12314787 KYJFJBXVPKIFGS-UHFFFAOYSA-N 365.389 2.705 0 50 FFAA COc1ccc2[nH]c(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1 13559434 IXEQEYRTSRFZEO-UHFFFAOYSA-N 361.423 2.566 0 50 FFAA endogenous,world CC(C)C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 14961965 YHJJVCNGLFKFHA-MRXNPFEDSA-N 373.474 2.833 0 50 FFAA COc1ccc(-c2noc(CCCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1 16527411 PMIXDXCPLZTCBD-HOTGVXAUSA-N 367.405 2.629 0 50 FFAA CCOc1ccc(N2C(=O)C[C@H](NCc3ccc(OC)cc3)C2=O)cc1 19804871 RQPGZVNJXLYENJ-SFHVURJKSA-N 354.406 2.516 0 50 FFAA O=C(O)[C@H]1CN(Cc2cc[nH]n2)CC12CCN(CC1CCCCC1)CC2 1857703155 WLVMQQSGBFOHKR-GOSISDBHSA-N 360.502 2.589 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1O 1857726361 NKGDPDUEZCAAOC-NVXWUHKLSA-N 359.388 2.620 0 50 FFAA COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2nc3ccccn3c2C)C1 1857734307 OWYGZVCDEXZTOW-NRFANRHFSA-N 363.417 2.600 0 50 FFAA Cc1cc(S(=O)(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc(C)c1F 408213119 CZLASOFNJROTHH-ZDUSSCGKSA-N 357.838 2.928 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCc3[nH]ncc3C2)CC1 126153301 KXGXZBGADIMKTM-KXBFYZLASA-N 367.497 2.792 0 50 FFAA CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)C[C@H]1CCC(=O)NC1 333605828 DINWXOQUHKIZEH-CQSZACIVSA-N 363.889 2.684 0 50 FFAA O=C1NC(=O)[C@@](CCc2ccccc2)(C2CCN(Cc3ccoc3)CC2)N1 12041489 KQBMMZJTFAFOGP-OAQYLSRUSA-N 367.449 2.703 0 50 FFAA Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3C)CC2)n1 17135842 LRFGRYAZALITJM-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA CON1CCC(N(C)C(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 861943265 DBNAWAJEJZRCJA-HXUWFJFHSA-N 371.525 2.773 0 50 FFAA CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1sccc1Br 128357856 PVEGDSBYVJNZMP-VIFPVBQESA-N 356.307 2.538 0 50 FFAA Cc1ccc(F)c([C@H]2CCCN2C(=O)CSc2nncn2C)c1F 2325784330 VAPBQUZQMDRNMI-GFCCVEGCSA-N 352.410 2.858 0 50 FFAA CN1CC[C@H](C(=O)N[C@H]2Cc3ccccc3[C@@H]2C(=O)O)c2ccccc21 2325788456 HJWPLGHJPPXBGM-LNLFQRSKSA-N 350.418 2.519 0 50 FFAA CN1CCN(CCN=c2[nH]c3c(F)cccc3n2C)[C@H](c2ccccc2)C1 2325859433 ZGFUQQCNJYVCDN-IBGZPJMESA-N 367.472 2.535 0 50 FFAA CC(=O)N1CCCC[C@@H](C2CN(C(=O)c3ccc4cccnc4c3)C2)C1 2325871360 IXUNYVGLTZVLQY-GOSISDBHSA-N 351.450 2.955 0 50 FFAA COC(=O)[C@H]1CN(C(=O)NCC2Cc3ccccc3C2)Cc2ccccc21 858229499 CAMOIZKRPRDIOR-FQEVSTJZSA-N 364.445 2.883 0 50 FFAA CCOC(=O)Cc1csc(NC(=S)NC(=O)C2CCCCC2)n1 1151927 YLZOBXFKLOBOPW-UHFFFAOYSA-N 355.485 2.642 0 50 FFAA O=C(CCCN1C(=O)c2ccccc2C1=O)NCCCc1ccccc1 2850369 VNJHJQIYWQJDAP-UHFFFAOYSA-N 350.418 2.812 0 50 FFAA CCN(C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccccc1 101358427 MPSCMMPDQCGURF-UHFFFAOYSA-N 358.419 2.600 0 50 FFAA C[C@]1(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1(Cl)Cl 20472605 FCZKAHXXTPNQEC-MRXNPFEDSA-N 371.264 2.643 0 50 FFAA C[C@H](CNC(=O)Nc1ccccc1CC(=O)N(C)C)N(C)c1ccccc1 56624760 OXBLXIPWOFRXKV-MRXNPFEDSA-N 368.481 2.964 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC(N2CCCC[C@@H]2C)C1 1506400202 VEJIXAQTMFCBHC-HNNXBMFYSA-N 352.500 2.559 0 50 FFAA COc1ccn2c(C(=O)N3CCC(F)(c4cccnc4)CC3)cnc2c1 424819456 KAZADIAJVOAOQY-UHFFFAOYSA-N 354.385 2.839 0 50 FFAA CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)Cc1ccccc1 252552914 VFRWPFHZBSWWGK-QGZVFWFLSA-N 360.479 2.579 0 50 FFAA CN1C(=O)CCc2cc(C(=O)N3CCN=C(O)[C@@H]3c3cccs3)ccc21 328810998 FACJUZIAAPOYAT-KRWDZBQOSA-N 369.446 2.811 0 50 FFAA CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)cc2C)CC1 67629958 NSMYKKGHWQZWRA-OAHLLOKOSA-N 352.500 2.542 0 50 FFAA CN(CC[C@H]1CCCO1)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 329017914 GXFSWXOMQSSTMK-WSTZPKSXSA-N 371.481 2.551 0 50 FFAA CC1=CC[C@H]2CN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)C[C@H]2C1 1076099435 PZBSEZMYHOWEHZ-RBUKOAKNSA-N 353.466 2.749 0 50 FFAA O=C(c1cccnc1)N1CCc2c(ncnc2NCCNc2ccccc2)C1 71759833 KMODVFYYGHNWEM-UHFFFAOYSA-N 374.448 2.594 0 50 FFAA O=C(N1CCO[C@@H](CCCc2ccccc2)C1)C1(Cn2cccn2)CC1 71736371 XBTKULXYOHJJIZ-IBGZPJMESA-N 353.466 2.914 0 50 FFAA O=C(c1cccnc1SC/C=C/c1ccccc1)N1CCOC[C@@H](O)C1 77564356 CFHWAWCPLBQHJA-JZLODUJNSA-N 370.474 2.720 0 50 FFAA O=C(NCCc1csc(-c2ncccn2)n1)c1ccc(O)c(Cl)c1 219103132 LAQUJGFXQLDEPK-UHFFFAOYSA-N 360.826 2.932 0 50 FFAA CC1(C)CN(C(=O)NC2CCN(c3nccs3)CC2)[C@H]1[C@@H]1CCCO1 332914842 UWQPHBVQXKELIO-GJZGRUSLSA-N 364.515 2.711 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)n1 72133252 QOKJVKDETLREQC-LJQANCHMSA-N 365.481 2.745 0 50 FFAA FC(F)(F)[C@@H]1CCN(c2cncc(-n3cccn3)n2)CC12CCOCC2 334025737 HBNLISVYNNDZPD-CYBMUJFWSA-N 367.375 2.848 0 50 FFAA COc1cccc2c1OCC(CN(C)Cc1nc3ccccc3c(=O)[nH]1)=C2 72156329 UBIJJMNFLNGSBO-UHFFFAOYSA-N 363.417 2.840 0 50 FFAA C[C@@H](CC(=O)N1CCN(c2nc3ccccc3s2)CC1)n1ccnc1 72480561 ZAIZXQSPNUPODK-AWEZNQCLSA-N 355.467 2.793 0 50 FFAA O=C(c1cc(C2CC2)n[nH]1)N1CCN(c2nc3ccccc3s2)CC1 72420072 GTHBRDNCFHPBPC-UHFFFAOYSA-N 353.451 2.859 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)CCc2ccc(F)cc2)C1 285773226 MOXDCDMJKUXMFW-CVEARBPZSA-N 358.417 2.742 0 50 FFAA Cn1cc(N2CCC[C@@H](NC(=O)NCC3(c4ccc(F)cc4)CC3)C2)cn1 175162726 ZUFUIMDSAKEKRX-QGZVFWFLSA-N 371.460 2.559 0 50 FFAA CCn1c(C)ccc(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)c1=O 72157278 DFDCYRGHFGVGCC-INIZCTEOSA-N 368.433 2.580 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(C)C)C1CCN(C)CC1 177436806 IFFSOTUCPMFBBV-UHFFFAOYSA-N 359.474 2.576 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccco2)ccc1=O 49547638 BYUUMQDSTJYIMC-OAHLLOKOSA-N 351.406 2.641 0 50 FFAA CNc1cc([C@H]2C[C@H](NC(=O)c3cc4c(cc3OC)CCC4)C2)ncn1 220685735 MSPSPYBZBBLYOP-GASCZTMLSA-N 352.438 2.692 0 50 FFAA C[C@@H](Nc1c(NCc2ccc3c(c2)OCO3)c(=O)c1=O)c1ccccc1 223226311 BVNGEVHQZHHHFU-GFCCVEGCSA-N 350.374 2.797 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccccc2[nH]1 222741186 NGDBNGOIXIBZBA-RTBURBONSA-N 369.421 2.877 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 199523766 IWEXMMKZZBEAMH-INIZCTEOSA-N 364.442 2.810 0 50 FFAA CS(=O)(=O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 426684594 YTFKPYPEMGHILG-UHFFFAOYSA-N 372.368 2.542 0 50 FFAA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)ccc1Br 239174466 QBKHHYZNQWXSRI-SSGZPDKPSA-N 350.212 2.894 0 50 FFAA COCCN(Cc1cnn(C)c1)C(=O)Nc1cc2[nH]cnc2c(C)c1C 96130448 AWDOAXMUDYVOHG-UHFFFAOYSA-N 356.430 2.594 0 50 FFAA O=C(CCC1CCN(C(=O)CN2CCCCC2=O)CC1)Nc1ccccc1 97468493 XRBFCTMNSSJXIL-UHFFFAOYSA-N 371.481 2.656 0 50 FFAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1onc2c1CCCC2 426497103 FOASKRSJMAHHSI-KHYOSLBOSA-N 368.433 2.730 0 50 FFAA Cc1ccc(C(=O)N2CCC(OCc3ccccn3)CC2)cc1OCCN 426581030 SVRORIJVRXWOTP-UHFFFAOYSA-N 369.465 2.549 0 50 FFAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cn(C)nc1C(F)(F)F 294252599 WOVGUGCBPIYUFK-LBPRGKRZSA-N 359.373 2.713 0 50 FFAA C[C@@H](c1cnn(-c2ccc(F)cc2)c1)n1cc(-c2ccc(CO)o2)nn1 91819399 OGURVMOVYYQUNG-LBPRGKRZSA-N 353.357 2.965 0 50 FFAA CC1=C(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)SC2=NCCN21 95380762 ZTSYHDBCPOIPEB-OAHLLOKOSA-N 371.462 2.741 0 50 FFAA Cc1nnc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)o1 91547821 NFMOYEZUABZNSW-HNNXBMFYSA-N 356.426 2.513 0 50 FFAA Cc1nn(CCO)cc1-c1c(-c2ccccc2)ncn1[C@@H](C)CC(=O)O 91616667 CRFPSXQVVZTDRZ-ZDUSSCGKSA-N 354.410 2.750 0 50 FFAA Cc1noc(-c2ccc(N3CCCN(c4ccncc4C)CC3)nc2)n1 96165930 HXLJUSJYOUTZSA-UHFFFAOYSA-N 350.426 2.860 0 50 FFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)c1 91931926 UHIJYSXVBLLOPB-HNNXBMFYSA-N 370.449 2.649 0 50 FFAA O=C(c1cncc(F)c1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 95358555 OLQYXNKVOGFVPU-MGPUTAFESA-N 365.452 2.925 0 50 FFAA CN(C)[C@H]1CCN(Cc2nc(-c3ccncc3)nn2Cc2ccccc2)C1 96137320 XVWVGDKMVXQTGP-IBGZPJMESA-N 362.481 2.524 0 50 FFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCCSc2nccn2C)c1 96165853 FPPAGJRCCULUME-ZDUSSCGKSA-N 373.482 2.849 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95517522 XOWCGPLMUFYKLC-QGZVFWFLSA-N 368.437 2.582 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)c1)c1ccnc(O[C@@H]2CCOC2)c1 183327099 OXEPTDJBWDOEDO-QGZVFWFLSA-N 350.378 2.687 0 50 FFAA Cn1cc(-c2cc(CN3CCC[C@H](C(=O)Nc4ccccc4)C3)on2)cn1 184975394 FEDXLXYQNUIQJE-HNNXBMFYSA-N 365.437 2.926 0 50 FFAA C[C@@H](N)[C@H]1CCCCN1C(=O)COc1ccccc1OCC(F)(F)F 299748503 HGNSHVFHEVLYCT-CHWSQXEVSA-N 360.376 2.735 0 50 FFAA CNc1nc(C)cc(-c2cccc(C(=O)N3CCC4(CCNCC4)C3)c2)n1 534629776 XHAZNIZHDWZBEW-UHFFFAOYSA-N 365.481 2.709 0 50 FFAA CNc1ncccc1C(=O)N1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 299766272 HYFMJNMHMLNRHE-RIFZZMRRSA-N 359.470 2.702 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H](N)Cc1ccccc1 570709816 GACMRYGDKZLRER-SFHVURJKSA-N 351.450 2.740 0 50 FFAA COc1ccc2c(c1)C=C(CN1CCC(Oc3ncccn3)CC1)CO2 824751138 UVIFTRHGEFCHCD-UHFFFAOYSA-N 353.422 2.804 0 50 FFAA CC[C@@H](NC(=O)N(C)Cc1c(C)nn(C(C)C)c1C)c1ncnn1CC 584895976 HHUJAROCMBFDBE-MRXNPFEDSA-N 361.494 2.985 0 50 FFAA Cc1cccc(-n2nnnc2S[C@H](C)C(=O)NCc2nc(C)cs2)c1 670471765 TUPYYPSIBJVCCD-GFCCVEGCSA-N 374.495 2.533 0 50 FFAA O=S(=O)(Oc1cncc(Cc2ccncc2)c1)[C@H]1CC[C@H]2CC[C@H]1OC2 1875297821 DZNHKXLOFUEJBT-LZQZEXGQSA-N 374.462 2.734 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1 1875369399 LSBGJHPIHMGMAG-ZDUSSCGKSA-N 369.248 2.968 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 1875371291 WMRHHEKJASWNJG-ABAIWWIYSA-N 371.264 2.568 0 50 FFAA C[C@@H](CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(F)F)C2)CC(F)(F)F 1875344623 NIQUXMWKXZEWEZ-DCAQKATOSA-N 356.335 2.822 0 50 FFAA CC1(C)C[C@H](N=c2[nH]ccnc2F)CN(C(=O)[C@@H]2CCC[C@@H](F)C2)C1 1875405101 QQBMQMXZIDSXOZ-MCIONIFRSA-N 352.429 2.605 0 50 FFAA C[C@@H](C(=O)NCc1ccccc1-n1cccn1)c1nnc(O)c2ccccc12 952969827 KANLUQKHIRWULP-CQSZACIVSA-N 373.416 2.941 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)CCOc2ccccc2)n1 952973038 XFQNECJPDLTQMX-INIZCTEOSA-N 359.426 2.781 0 50 FFAA O=C(C1CCC1)N1CC[C@@]2(O)CCN(Cc3cc(F)ccc3F)C[C@H]2C1 1565526904 JQAPFEDHDHLWNF-JXFKEZNVSA-N 364.436 2.550 0 50 FFAA CC(C)c1nc(C(=O)N(C[C@H]2CCCN2)C2CC2)nn1-c1cccc(F)c1 186536410 WAKMNXYVSLBDLU-OAHLLOKOSA-N 371.460 2.886 0 50 FFAA O=C(NCC1(Cc2ccc(F)cc2)CC1)N1CC[C@H](N2CCCC2=O)C1 276985329 WZWICBMAZFNQPZ-KRWDZBQOSA-N 359.445 2.555 0 50 FFAA CO[C@H](CNC(=O)N1CCc2ccnc(O)c2C1)c1ccc(Cl)cc1 277134666 UFVIHRXIEGLPRF-MRXNPFEDSA-N 361.829 2.896 0 50 FFAA Cc1c(C(=O)NCC2(N3CCCCC3)CCOCC2)oc2c1C(=O)CCC2 171770303 AKAOULRHOTVNCF-UHFFFAOYSA-N 374.481 2.872 0 50 FFAA Cc1nc2cc(C(=O)NCC3([S@@](C)=O)CC3)ccc2n1-c1ccccc1 281700887 FFPIVPYOBXTFMX-AREMUKBSSA-N 367.474 2.975 0 50 FFAA C[C@@H]1CCO[C@@H]1C(=O)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 408482055 GZXRRWYADRBUGD-DYVFJYSZSA-N 351.468 2.964 0 50 FFAA CCCC[C@H](C)S(=O)(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 225834093 FHADPFJWRRFAFN-HKUYNNGSSA-N 368.543 2.866 0 50 FFAA COc1ccc(F)c(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1 1704315936 RWCQENHTSAPLGV-TZIWHRDSSA-N 373.424 2.715 0 50 FFAA Cc1cc(O)ccc1C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 1704341044 PCDYJYJBPOHJEV-NRFANRHFSA-N 366.465 2.677 0 50 FFAA NC(=O)c1ccc(OCCCN2CCC(c3ccnc(O)c3)CC2)cc1 1772811605 WUOYRYOJPBYTCZ-UHFFFAOYSA-N 355.438 2.535 0 50 FFAA Cc1nc(CC(=O)N2CCCN(c3ccc(Cl)cn3)CC2)cs1 1772812982 UIWSLEIDQGLZQS-UHFFFAOYSA-N 350.875 2.781 0 50 FFAA CN1C[C@H](CN2CCCN(c3nc4ccccc4s3)CC2)CCC1=O 1772811189 RFKUTLYGCZPCFA-OAHLLOKOSA-N 358.511 2.677 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C)cc(=O)[nH]1 5237880 AENBWBMYISGAPD-UHFFFAOYSA-N 353.831 2.780 0 50 FFAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(C)C1=O 11782288 RVCZPDSMVPYZSO-QVKFZJNVSA-N 372.465 2.503 0 50 FFAA O=C(C1CC1)N1CCC(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)CC1 11816724 AZMXYVVMSBQXMP-GOSISDBHSA-N 361.530 2.502 0 50 FFAA Cc1ccc(C)c(-n2cc(CN(CCO)CCO)c(-c3ccccc3)n2)c1 11947579 NTVICKHEGWDFCM-UHFFFAOYSA-N 365.477 2.943 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)c3ccccc3Cl)CC2=O)cc1 12076048 SKSOAXLCCGDLPH-OAHLLOKOSA-N 372.852 2.922 0 50 FFAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1 12138804 WAQHNAXZWAUTQL-UHFFFAOYSA-N 367.474 2.978 0 50 FFAA O=C(NCCc1ccncc1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 12448446 KPMZQZKHZJOELB-HXUWFJFHSA-N 365.477 2.612 0 50 FFAA O=C(CN1CCCCCC1)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 12590052 VQGWMKBPDBXYNO-OAQYLSRUSA-N 362.489 2.845 0 50 FFAA CC(C)C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 14961961 YHJJVCNGLFKFHA-INIZCTEOSA-N 373.474 2.833 0 50 FFAA CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc(N2C(=O)CCC2=O)c1 16675634 OUVZIVHTCYNVLC-UHFFFAOYSA-N 366.483 2.833 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 19867341 GGAYKOPTOLHDON-INDMIFKZSA-N 370.534 2.599 0 50 FFAA CCOc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCCC3)c1 169752839 HYQNZHDFYUCZGT-UHFFFAOYSA-N 356.422 2.522 0 50 FFAA Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc(C(F)(F)F)n1 169772327 XLPINTMNTIQDMI-UHFFFAOYSA-N 350.344 2.766 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 155515072 OYIAKMIOMTTWGB-KRWDZBQOSA-N 353.426 2.879 0 50 FFAA Cc1cc(CC2(C(=O)N[C@H]3C[C@@H](Cn4ccnc4)C[C@@H]3O)CC2)ccc1F 1857527357 QZGYLCLXMRGMLZ-NEWSRXKRSA-N 371.456 2.609 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)s2)c1 1857669324 DNFUWQJACOZYOJ-IFXJQAMLSA-N 374.462 2.742 0 50 FFAA COc1cc(C(=O)N2CCC(C3CCNCC3)CC2)cc(OC)c1OC 1857673324 NRVRQJNGAVTTCG-UHFFFAOYSA-N 362.470 2.564 0 50 FFAA COc1cc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)ccc1O 1857683974 TYAOEHCLPRFKQG-UHFFFAOYSA-N 353.426 2.896 0 50 FFAA COc1cccc2ccc(CN3C[C@H](C(=O)O)C4(CCOCC4)C3)nc12 1857702560 NTVCIWPRJIBXCA-MRXNPFEDSA-N 356.422 2.557 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@H]1COc2ccccc2C1 1857727821 BBFKNEUDHFARIJ-CYBMUJFWSA-N 366.446 2.896 0 50 FFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)N=c1cc[nH]cc1F 328619378 FVOCAXHTVNJASU-SNVBAGLBSA-N 371.338 2.584 0 50 FFAA CC[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](C(=O)O)C1 237036945 JFTXSXGVGIJUMI-WCQYABFASA-N 354.244 2.951 0 50 FFAA CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1 157193648 JHWWTFOBJUFMBP-GFCCVEGCSA-N 353.362 2.509 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 262471940 JOFMZHSFMOJATB-IXDOHACOSA-N 367.401 2.546 0 50 FFAA O=C(CCc1cnc[nH]1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O 909260886 DAHSBPYDHNSENG-KRWDZBQOSA-N 351.406 2.555 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)C1 2325889147 BJGYPRHWASDORA-STQMWFEESA-N 368.886 2.726 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)N3CCCC[C@H]3C[C@@H](C)O)ccc21 2325889258 HQVVERQDSPBTHW-QAPCUYQASA-N 356.466 2.917 0 50 FFAA Cc1nnc(SCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 818251 TXEVXBNYXJDVSN-UHFFFAOYSA-N 368.915 2.941 0 50 FFAA COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 827528 BNYLMYSKWBTQRJ-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA CCCc1nc(C)cc(N2CC[C@@H](O)[C@](Cc3ccccc3)(C(=O)O)C2)n1 2356156239 YHMFZBJPRPFAQL-DYESRHJHSA-N 369.465 2.622 0 50 FFAA O=C(O)c1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 2880708 PCZRIWQYMATSJL-MRXNPFEDSA-N 354.362 2.755 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@]12CCCN(C)C2=O 2356162623 GXXGVTXUPUDGGT-NRFANRHFSA-N 368.481 2.602 0 50 FFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(CCc3ccccc3)CC2)C1 6731456 YVSBYFWGAAAUSZ-VQTJNVASSA-N 370.493 2.821 0 50 FFAA COc1ccc(C(=O)N2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 55226317 SVQARJWMSSVEDO-PZJWPPBQSA-N 371.525 2.718 0 50 FFAA CCSc1nc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cs1 55369026 XOFQFVHIDFGZHQ-OAHLLOKOSA-N 369.556 2.511 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2cccc(-n3cccn3)c2)CC1 65370953 GTUZXVZTTYKISY-UHFFFAOYSA-N 350.422 2.813 0 50 FFAA CN(C[C@H](O)COc1ccccc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 252569018 VTZVLKQNHIIZNC-FUHWJXTLSA-N 364.486 2.661 0 50 FFAA O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N1CCC(O)(CO)CC1 67982763 FIVPJNNGBZGVNI-UHFFFAOYSA-N 362.857 2.614 0 50 FFAA CCc1nc(CN(C)C(=O)c2coc(COc3ccc(F)cc3)n2)no1 67803097 LPSITWDOYVJCOS-UHFFFAOYSA-N 360.345 2.610 0 50 FFAA CO[C@@H](C(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 121946189 JDTVKYNRBXLKRZ-LJQANCHMSA-N 352.434 2.749 0 50 FFAA O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2ccncn2)C1 12027859 LBIFKHFNTAYKRB-HNNXBMFYSA-N 354.435 2.593 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCN(c4nccs4)CC3)[nH]n2)s1 32612324 AZHWFOCBVKXYGZ-UHFFFAOYSA-N 359.480 2.866 0 50 FFAA NNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 1401261 ZLAZUESDPAWPPL-UHFFFAOYSA-N 371.793 2.558 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ccc(Cn2cccn2)o1 215332843 WHJDEVUDUTWXRB-UHFFFAOYSA-N 357.414 2.768 0 50 FFAA COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217821081 VABSXQDQQNHUSJ-ZDUSSCGKSA-N 368.341 2.922 0 50 FFAA biogenic O=C(NCCN1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)c1ccccc1 77385447 SQBQNAXRPLLCGQ-QFIPXVFZSA-N 369.509 2.531 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CCC(F)(F)C1 331073773 FYLDFANWJXQXLA-GFCCVEGCSA-N 374.453 2.815 0 50 FFAA Cc1ccccc1CN1CCC(NC(=O)N2CCC([C@@H](C)O)CC2)CC1 156036937 IABILJQIQODYLU-QGZVFWFLSA-N 359.514 2.762 0 50 FFAA CCSCCC(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2 77353961 KNBXQSIBDAZABN-UHFFFAOYSA-N 350.532 2.791 0 50 FFAA O=C(N[C@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 334128945 RVVNHNMDRCOQJR-MJQMVNBJSA-N 365.857 2.872 0 50 FFAA O=C(CN1CCc2ccccc2C1)N1CCN(c2ccccc2F)CC1 37133924 GWRSAKWALLEFMV-UHFFFAOYSA-N 353.441 2.533 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCCN(Cc2cccs2)CC1 77378203 QVZSLFLYZGVAED-UHFFFAOYSA-N 367.478 2.677 0 50 FFAA O=C(Nc1ccon1)C(=O)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 375437762 OQIKXUMFXKQNBH-CVEARBPZSA-N 353.422 3.114 0 50 FFAA O=C(NCCNc1cc(N2CCCC2)ncn1)Nc1ccc(Cl)cc1 72446930 GCYADZJKPNYCHD-UHFFFAOYSA-N 360.849 2.964 0 50 FFAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cccc2ncccc12 72143780 WODYOYKBDDWUCY-RTWAWAEBSA-N 373.456 2.702 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3ccn(CC)c(=O)c3)C2)CCC1=O 77517710 VLFHNRUMTSNQJT-OAQYLSRUSA-N 373.497 2.513 0 50 FFAA CS(=O)(=O)C[C@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 455032641 CAIRRCYWSIELTM-OAHLLOKOSA-N 363.439 2.773 0 50 FFAA O=C([C@H]1CCCN(C2CCN(Cc3cccc(O)c3)CC2)C1)N1CCCC1 71754361 ATZHYJURNAYODS-IBGZPJMESA-N 371.525 2.691 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3ccc(OC)c(F)c3)C2)CCC1=O 77425367 NQSOCYJBZWZVFR-FQEVSTJZSA-N 364.461 2.685 0 50 FFAA O=C(c1ncc[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 72468828 FLKIBODZIMCFQZ-DLBZAZTESA-N 356.470 2.753 0 50 FFAA COc1c(C)cc(C(=O)[C@H]2CCCN(c3nc(C(N)=O)cs3)C2)cc1C 71747499 OVJKZFGICZKGPV-ZDUSSCGKSA-N 373.478 2.967 0 50 FFAA O=C(Nc1ccncc1)c1c(O)n(Cc2ccco2)c2c(c1=O)CCCC2 135746617 OYMOEMXANFCEHL-UHFFFAOYSA-N 365.389 2.721 0 50 FFAA CC(=O)c1ccc(NC(=O)NCc2cc3n(n2)CCN(CC(C)C)C3)cc1 82092083 CNEFUZPLKQXVMM-UHFFFAOYSA-N 369.469 2.879 0 50 FFAA COc1ccccc1CCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 223634853 YONUHEVDBHNOAG-IBGZPJMESA-N 353.466 2.804 0 50 FFAA O=C(c1onc2c1CCCC2)N1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 426372166 FVIQIFLAOLZMMV-DLBZAZTESA-N 366.465 2.685 0 50 FFAA CSCc1noc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1 426715915 MDZGNAJMHAXEKS-HNNXBMFYSA-N 372.494 2.571 0 50 FFAA O=C(c1cccnc1N1CCCC1)N1CCN(c2ccncc2Cl)CC1 179261809 ZUBYAKKCOUUOCK-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2 95380316 LQCLISSBXJXFGV-MAUKXSAKSA-N 353.466 2.883 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2N(C)C)C1 95357847 ZZSREIHSZXWZKK-QGZVFWFLSA-N 369.513 2.531 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@](O)(c3ccccc3)C2)c1 91935162 DPSUJEHJPKGAFF-OAQYLSRUSA-N 363.417 2.819 0 50 FFAA CSCCc1nc(CN2C(=O)NC(C)(C)C2=O)n(C2CCCCC2)n1 96132151 IHRFKALUQATLQC-UHFFFAOYSA-N 365.503 2.519 0 50 FFAA COc1ccc(CNC(=O)C2CCN(c3nc(C)nc(C)c3C)CC2)cc1 91745415 LVHKVNOSWIKDOE-UHFFFAOYSA-N 368.481 2.943 0 50 FFAA CCCN1CCC[C@@H](NC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 426386294 KDTJDPJCQDNERP-MRXNPFEDSA-N 357.458 2.752 0 50 FFAA CCC[C@@H](NC(=O)c1cnc(-c2cccc(C)c2)[nH]c1=O)c1nccn1C 91679020 DXSGZRGCDNDSHU-MRXNPFEDSA-N 365.437 2.750 0 50 FFAA CCc1c(C)cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c(=O)n1C 95366748 KKYVPWWZZAJBOB-OAHLLOKOSA-N 354.450 2.627 0 50 FFAA CN1CCN(Cc2ccc(C(=O)N3CC=C(c4ccccc4)CC3)o2)CC1 97813679 JYBPEHFLTVCOMW-UHFFFAOYSA-N 365.477 2.957 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1nccn1C(C)C)CC2 91664365 TZBCFSMHUFMCEB-UHFFFAOYSA-N 362.518 2.705 0 50 FFAA COc1ccc(-n2nc(-c3ccc(C)o3)nc2CN2CCOC2=O)cc1 95526701 JNPGTUPNISLQGA-UHFFFAOYSA-N 354.366 2.797 0 50 FFAA NC(=O)c1cc2c(nc1N1CCC[C@H](c3nc4ccccc4[nH]3)C1)CCC2 95518016 SWHCFAYTUKVMKD-AWEZNQCLSA-N 361.449 2.930 0 50 FFAA Cc1cccc(=O)n1CCC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 97569038 UTHMCARKAJREDZ-LJQANCHMSA-N 371.456 2.639 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1CCC(C(=O)O)CC1 268946537 XFKYREQMICXFBB-LEOMRAHMSA-N 356.422 2.710 0 50 FFAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1OCc1ccccc1 244741850 NXXGZRFWDUMGHG-GOSISDBHSA-N 352.434 2.958 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N[C@H]1C[C@@H](c2cc(O)ncn2)C1 253535539 ASJPAERQOCNXOB-TXEJJXNPSA-N 351.328 2.806 0 50 FFAA COc1ccc([C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]2C[C@@H](O)C2)cn1 252571277 XRCBDWDQNQGWMS-WDYCEAGBSA-N 354.450 2.996 0 50 FFAA CCCn1ccnc1CNC(=O)c1cccc(-c2cncc(N(C)C)n2)c1 534574517 VXMUIRZDMUAFLT-UHFFFAOYSA-N 364.453 2.746 0 50 FFAA COc1ccc(CN[C@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 263616005 GLIVEJIWEVXUSX-QGZVFWFLSA-N 354.435 2.652 0 50 FFAA CC1(C(=O)N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)CC1 1940193490 CZUKIZZXLYBGFP-UHFFFAOYSA-N 364.449 2.851 0 50 FFAA O=S1(=O)Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 39399300 YMKZXPLZBCTKJE-UHFFFAOYSA-N 357.479 2.824 0 50 FFAA COC(=O)c1cc(NC(=O)N2CCN(CCSC)CC2)ccc1Cl 299795278 LDAUXRUBIUBWIQ-UHFFFAOYSA-N 371.890 2.639 0 50 FFAA Cc1cc(CN(C)C(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)no1 299779100 PSNABOCGOHHYFG-QGZVFWFLSA-N 372.425 2.556 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)[C@H]2C1 299775369 IZAOEQXXZRWHIX-FUHIMQAGSA-N 355.438 2.875 0 50 FFAA O[C@@H]1CN(Cc2csc(-c3ccccc3)n2)CC[C@H]1Nc1ncccn1 299776164 KNCMFQUKNMVRQF-IAGOWNOFSA-N 367.478 2.647 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCCC2)c1C 299784865 PQZMZAVNYBKTRT-LJQANCHMSA-N 368.481 2.898 0 50 FFAA CCCN1C[C@H](NC(=O)CSC23CC4CC(CC(C4)C2)C3)CC1=O 822919222 TYTPUZARLZRIPY-LZUXJJCOSA-N 350.528 2.816 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cc(CC(C)C)[nH]n2)c1 821439076 KJWQROVWSNKDQO-UHFFFAOYSA-N 357.458 2.669 0 50 FFAA O[C@@H]1CCN(C2CN(c3ncnc4scc(-c5cccs5)c34)C2)C1 865899423 CNOYCSUXGWEZKS-GFCCVEGCSA-N 358.492 2.675 0 50 FFAA Cc1nc([C@@H](C)N2CC[C@H](CCNC(=O)c3ccc(F)c(C)c3)C2)n[nH]1 1875322870 LETKRNLTNLONFJ-HIFRSBDPSA-N 359.449 2.764 0 50 FFAA Cc1[nH]nc2ccc(C(=O)N(C)CC3CN(C(=O)OC(C)(C)C)C3)cc12 1875301478 LNQGKQAPMKMRIQ-UHFFFAOYSA-N 358.442 2.810 0 50 FFAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)N[C@H](C(=O)O)c1ccc(C)c(C)c1)C2 1875304924 ZNKSJFIYFOOECD-COXVUDFISA-N 355.438 2.874 0 50 FFAA C[C@H](C(=O)N1CC(C)(N2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 1875354446 WAQOKRGYXRYJKY-ZDUSSCGKSA-N 356.388 2.742 0 50 FFAA C[C@H]1CCCc2cc(-c3noc([C@H]4CC(=O)N(C5CC5)C4)n3)c(O)nc21 896767210 DTDGBBBLTDDDRG-JQWIXIFHSA-N 354.410 2.755 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cc1C(=O)O 1565512693 JNJHTSUEMZZMGR-SJORKVTESA-N 372.465 2.616 0 50 FFAA CCOc1cc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)ccc1O 1565511095 GYPRTEHXZQUYHB-AEFFLSMTSA-N 371.433 2.870 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cc(Cl)ccc2C)cn1 275360651 VMEZQVKRPHJOFV-GOEBONIOSA-N 369.874 2.673 0 50 FFAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2ccc(Oc3ccccc3)o2)n1 275479320 VINGBGAWBFNWHZ-TZMCWYRMSA-N 355.350 2.711 0 50 FFAA O=C(Cc1c[nH]c2ccc(F)cc12)NCC(=O)c1cccc2c1OCCO2 170597636 SRYHKEVGMHLGFJ-UHFFFAOYSA-N 368.364 2.620 0 50 FFAA O=C1CCCc2cc(NC(=O)c3cn(Cc4cccs4)nn3)ccc2N1 170643280 CGDKBPJNLIUHNZ-UHFFFAOYSA-N 367.434 2.915 0 50 FFAA O=C(c1cccn1Cc1cccs1)N1CCC(N2CCCC2=O)CC1 170890657 AWKCVBCPDAJXRX-UHFFFAOYSA-N 357.479 2.825 0 50 FFAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1cnn(-c2ccccc2)c1C1CC1 171314877 MIDNLLRKVMMKJL-HNNXBMFYSA-N 350.466 2.964 0 50 FFAA c1ccc(CCN2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 301255986 QYQXTQHDSYMAQW-UHFFFAOYSA-N 351.498 2.832 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 188791307 KRMIBNNUCUUMQO-CYBMUJFWSA-N 365.524 2.540 0 50 FFAA C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)c1nnnn1C1CCCCC1 189760845 IAHFUKJDAWCUFM-GFCCVEGCSA-N 364.475 2.723 0 50 FFAA CC[C@H](C)[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)C(=O)N(C)C 225518999 OTWGAWWSYPMTJT-GUYCJALGSA-N 352.442 2.706 0 50 FFAA c1ccc(-c2cn3nc(N4CCOC5(CCOCC5)C4)sc3n2)cc1 767823290 LJUSRYIGZLHPDX-UHFFFAOYSA-N 356.451 2.844 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)NCc1cccc(CN(C)C)c1 1260773342 BJPWMOGHVYBJGZ-UHFFFAOYSA-N 362.495 2.852 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(Cl)ccc3OC)CCN12 1529119143 TVBJXXJYMBYTKO-LSDHHAIUSA-N 352.862 2.674 0 50 FFAA COCCN1CCC[C@H](CN(C)c2noc(-c3ccccc3)c2C(=O)O)C1 1704335767 GDSJYNZNBGCKSY-OAHLLOKOSA-N 373.453 2.834 0 50 FFAA O=C(c1ccc(COc2ccccc2)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772702543 HFFOXFOBHGBBDR-DENIHFKCSA-N 367.445 2.737 0 50 FFAA CC(C)(C)CN1C[C@@H]2CN(CCc3c[nH]c4ccccc34)C[C@@]2(CO)C1 1772806345 WYAJVXQKQBTYNI-AVRDEDQJSA-N 355.526 2.983 0 50 FFAA COc1cc(/C=C(\NC(C)=O)C(=O)NC2CCCCC2)ccc1OC(C)=O 12379344 DKTUZGVMPPRZKB-BOPFTXTBSA-N 374.437 2.546 0 50 FFAA Cc1cccnc1CCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12448258 WDVPWNGZMDREMV-KRWDZBQOSA-N 369.440 2.627 0 50 FFAA CCN(CC)C[C@@H](O)COc1cc(CNC2CCCC2)ccc1OC 12716230 FNCPDXRXDUYFGD-GOSISDBHSA-N 350.503 2.809 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CC4CC4)C3)C2=O)c1 12758646 AEFHUACVFIDVPA-OAQYLSRUSA-N 356.466 2.836 0 50 FFAA CCCCN(C)C(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 14991598 OKGUYUKTLCBZIK-GFCCVEGCSA-N 363.483 2.885 0 50 FFAA O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)OCc1ccccc1 19864936 AVUWVCUVYYVFCY-LBPRGKRZSA-N 367.660 2.941 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(F)c2F)C[C@H]1C(=O)O 203303641 LIWYLJRQBPNXCT-WPRPVWTQSA-N 361.316 2.945 0 50 FFAA Cc1ccc2oc(N3CCC(C(=O)NCCc4nccs4)CC3)nc2n1 1857700797 HRMBCQZKAGCAOL-UHFFFAOYSA-N 371.466 2.563 0 50 FFAA CN(CC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)C1CCCC1 1857709561 FUTOOFPDOAEXSY-UHFFFAOYSA-N 366.509 2.889 0 50 FFAA N=c1[nH]c2cc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc2s1 1857717821 ZUZMJMFKLYFVFF-OAHLLOKOSA-N 368.462 2.925 0 50 FFAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC(c2ccnc(O)c2)CC1 1857720074 CSJZHEGTRXQJGH-RTBURBONSA-N 351.450 2.987 0 50 FFAA CNC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(F)cc1Br 237110919 MLZPUVXPUUKTGZ-JQWIXIFHSA-N 359.239 2.566 0 50 FFAA Nc1cc(N2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)nc(N)n1 95353980 VWJMPXMVXVJAKX-HXUWFJFHSA-N 352.486 2.524 0 50 FFAA CC(C)c1cnc(CNC[C@@H]2CCCN(C3CC3)[C@H]2c2cncn2C)[nH]1 2325761533 QDFSWGSJVKXQAF-MGPUTAFESA-N 356.518 2.972 0 50 FFAA CCN(CCNC(=O)c1occ2c1CCC2)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 2325794554 HBPTYEGAGYQKQG-WMZOPIPTSA-N 374.481 2.694 0 50 FFAA COCc1nn(C)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 2325811621 GFMNDLTUSLFWMV-UHFFFAOYSA-N 364.254 2.983 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@H]2c2ncccn2)cc1 2325889928 DMMFBVDPIIZXGT-KRWDZBQOSA-N 350.422 2.993 0 50 FFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 915132 NUGZBAGKZYUTEJ-HXUWFJFHSA-N 355.390 2.531 0 50 FFAA CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(F)c(Cl)c1 1051352 IDCKVNAKDBQATL-UHFFFAOYSA-N 362.854 2.648 0 50 FFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1nnc(-c2ccccc2)o1 2356136914 BAWRNGWZQDNEJJ-HXUWFJFHSA-N 352.438 2.856 0 50 FFAA Cc1cc(=O)cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)o1 2356170008 QOPPSOGLFXFXSN-RRMPHLOHSA-N 353.418 2.708 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 4973535 IPTLPPDHSDZJQB-OAHLLOKOSA-N 358.413 2.950 0 50 FFAA CNC(=O)c1ccc(C)c(NC(=O)c2ccnc(OCC(F)(F)F)c2)c1 172754218 GELKYMRBUZLVMD-UHFFFAOYSA-N 367.327 2.943 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67755486 ZAFTVBJZWWDQNL-UHFFFAOYSA-N 371.391 2.986 0 50 FFAA CCN(C)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 67934800 HEABGAWVKIXNTR-JXMROGBWSA-N 368.481 2.598 0 50 FFAA COc1ccc(NC(=O)CCCn2cncn2)cc1NC(=O)c1ccco1 55154490 VXIDNSOWDFXWCA-UHFFFAOYSA-N 369.381 2.551 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)N(C)C2Cc3ccccc3C2)CC1=O 55627351 DDOFVVAWMHOHLH-KRWDZBQOSA-N 364.445 2.674 0 50 FFAA CCCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CCC1=O 20271995 IURPBTCEXWAKFV-AWEZNQCLSA-N 352.862 2.887 0 50 FFAA C[C@@H](C(N)=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67851535 WYFVGWKYGJQPTJ-NSHDSACASA-N 369.446 2.737 0 50 FFAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2ncc[nH]2)c1 20911043 VHGGQGIAQSKZKR-AWEZNQCLSA-N 354.454 2.796 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 20455724 SMTOTAGCKNAJIZ-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA COc1ccc(C(=O)N2CCCN(c3ccnc(C)c3)CC2)cc1OC 77460048 QMIDIVPHQOMOHY-UHFFFAOYSA-N 355.438 2.760 0 50 FFAA Cc1onc(C(=O)NCc2cccnc2Oc2ccccc2F)c1CO 67726728 CWUJBOSRNJLUNE-UHFFFAOYSA-N 357.341 2.732 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 67689046 VLVICMCXHBCEBB-AWEZNQCLSA-N 351.410 2.828 0 50 FFAA C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(C2CC2)nc2ccccc12 121305431 BICIMMBOWISVRO-QWHCGFSZSA-N 358.463 2.760 0 50 FFAA O=C(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38528244 BEKVETUZPDVBGW-UHFFFAOYSA-N 371.872 2.693 0 50 FFAA Cc1nn(CC(=O)NCc2cnn(Cc3ccccc3)c2)c(C)c1Cl 129594598 RXJIDBFZZGQMMZ-UHFFFAOYSA-N 357.845 2.715 0 50 FFAA COc1cc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc(Cl)c1OC 328627267 FZBJKLLBAUVHBT-BBRMVZONSA-N 351.834 2.711 0 50 FFAA Cc1cnc2c(S(=O)(=O)N(C)Cc3cn4c(n3)CCCC4)cccc2c1 328631231 QQJHNISFRLVQMP-UHFFFAOYSA-N 370.478 2.897 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2NCCC[C@]2(CO)C1 72122481 ISRNTIABUCESHD-GDBMZVCRSA-N 357.376 2.674 0 50 FFAA NC(=O)COc1cccc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 77354768 UFUMFLAUBKCBTA-SFHVURJKSA-N 368.412 2.903 0 50 FFAA COc1ccc(C(=O)N2CCC(Oc3ccccc3C)(C(=O)O)CC2)o1 72462986 VMRRJTNXJXDJAQ-UHFFFAOYSA-N 359.378 2.735 0 50 FFAA O=C(Cc1cn2ccsc2n1)N[C@H]1CCCN(CCc2ccccc2)C1 12442639 GXSLDJBEWBAXJS-KRWDZBQOSA-N 368.506 2.762 0 50 FFAA NC(=O)c1c(SCc2c(F)cccc2F)sc2c(O)cc(=O)[nH]c12 36356993 VMVQHAPFTAXUHQ-UHFFFAOYSA-N 368.386 2.965 0 50 FFAA NC(=O)c1ncn(C2CCN(c3ccnc4ccc(Cl)cc34)CC2)c1N 368176330 MNLIOUHHIZNDIW-UHFFFAOYSA-N 370.844 2.607 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(Cc1cccc(-c3ccccn3)c1)C2 72134531 GHEAPDAZJUDHSR-UHFFFAOYSA-N 362.433 2.978 0 50 FFAA OC[C@]12CCCN[C@@H]1CCN(Cc1ccc(OCc3ccccn3)cc1)C2 72144468 KOKFOZRNVXRFLQ-FGZHOGPDSA-N 367.493 2.597 0 50 FFAA CCCn1ccnc1CN1CCC[C@@]2(CCC(=O)N(CCCOC)C2)C1 77459611 DTLRVJDRCHMWPT-HXUWFJFHSA-N 362.518 2.534 0 50 FFAA O=C(Cn1cc2ccccc2n1)N1CCCC[C@@H]1c1nnc2n1CCCC2 333197204 XQHMIKLIOTUVKB-QGZVFWFLSA-N 364.453 2.718 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O 236863367 YCKHWAZAWYDYAM-BDJLRTHQSA-N 359.426 2.674 0 50 FFAA CN(c1ccccc1)c1ccccc1C(=O)N1CCc2nn(C)c(=O)cc2C1 174460561 CVEZVAIWGDLZDY-UHFFFAOYSA-N 374.444 2.747 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)NC2CCCCC2)CC1 77459384 ZRYCJCRSKDIAGR-UHFFFAOYSA-N 362.522 2.581 0 50 FFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 377195295 HJLSBZREPWUTCH-AWEZNQCLSA-N 353.422 2.776 0 50 FFAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)c1 215434952 GQNNVNQOTPAJEW-GOSISDBHSA-N 372.490 2.957 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C2)c1 378024780 IDWFPOICMDCNAO-QMTHXVAHSA-N 364.339 2.547 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CCC[C@@]4(CN(C)C(=O)O4)C3)c(C)c2c1 72133808 YLDMWMTVNUOYBJ-LJQANCHMSA-N 357.410 2.542 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)Nc2ccccc2Cl)ncn1 72139979 SKVLLIDXNZXEQL-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CC(C)OCCCNC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 78316047 PPBPFRHVTMSIAW-UHFFFAOYSA-N 351.466 2.858 0 50 FFAA COCCCN1CCN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC1 215839706 NQZCABXBWZFANF-UHFFFAOYSA-N 361.873 2.991 0 50 FFAA Cc1onc(-c2cccnc2)c1C(=O)N[C@@H]1CCCc2nc(O)ccc21 285296472 CXCNGYMEAIWXIO-OAHLLOKOSA-N 350.378 2.953 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3cc(C)oc3C(F)(F)F)cnc21 77407487 UQDWOZSJTVATCP-UHFFFAOYSA-N 367.331 2.884 0 50 FFAA c1cc(-c2nc3c(c(NC4CC4)n2)CCN(c2cnccn2)CC3)ccn1 72418887 LQAYAVZXFPWUJA-UHFFFAOYSA-N 359.437 2.508 0 50 FFAA CC(C)c1cc(C(=O)Nc2nn(C)c3cccc(N4CCOCC4)c23)no1 72470683 FRESOTLOMHMGBY-UHFFFAOYSA-N 369.425 2.774 0 50 FFAA CCN1CCC[C@@H]1CN(C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 176973082 JVVHPTQFPKQAMB-OAHLLOKOSA-N 371.437 2.669 0 50 FFAA CCOC(=O)c1cc(NC(=O)Cc2ccc(F)cn2)cc(C(=O)OCC)c1 242339381 ZHIWNZOFUNTBBV-UHFFFAOYSA-N 374.368 2.755 0 50 FFAA Cn1cc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)cn1 14955447 JKCMJOVMGGBBFU-UHFFFAOYSA-N 366.421 2.796 0 50 FFAA Cc1cccc2c1OC[C@H](NC(=O)NCc1ccc(-n3cccn3)cc1)C2 460127842 HXPZEVMDFDTTAV-GOSISDBHSA-N 362.433 2.984 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cc1O 82138789 SEVNUOLJLQOASX-UHFFFAOYSA-N 351.406 2.740 0 50 FFAA Cn1c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)nc2cc(Cl)ccc21 178064489 UHCKQZMKDVWLNV-UHFFFAOYSA-N 370.844 2.936 0 50 FFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccnn1C[C@H]1CC=CCC1 20599130 DRNMPMLIIACHRX-HNNXBMFYSA-N 363.425 2.532 0 50 FFAA O=S(=O)(C[C@@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 178391128 YMWFGMUXGKQZPR-ZBFHGGJFSA-N 351.468 2.779 0 50 FFAA CC[C@H](C(=O)Nc1nccs1)n1ccc(C(=O)Nc2nccs2)n1 20617450 OLQZSBMTPHFHBS-SNVBAGLBSA-N 362.440 2.638 0 50 FFAA COc1cccc2c(C)cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc12 82134692 HMSJUFHETUNMJV-HNNXBMFYSA-N 355.438 2.585 0 50 FFAA Cc1cc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc(N2CCCC2)n1 426490098 LKZQVVIHXOZOMV-GOSISDBHSA-N 366.465 2.961 0 50 FFAA CCCN(C(=O)Cn1nccc1[C@H]1CCCNC1)C1Cc2ccccc2C1 426438849 LLEQGCKWXAJUNY-IBGZPJMESA-N 366.509 2.756 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1nc3ccc(F)cc3[nH]1)C2 95515451 WSGVUKIXEGYVEQ-CYBMUJFWSA-N 369.396 2.920 0 50 FFAA O=C(c1cccc(-n2cnnn2)c1)N1C[C@@H]2CCCCN2c2ccccc21 294297023 ODSJKWYCGXSFLC-KRWDZBQOSA-N 360.421 2.682 0 50 FFAA COc1cccc(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)c1 95367299 KHTPAYBXRYMTBC-UHFFFAOYSA-N 370.497 2.863 0 50 FFAA Cc1nn2c(=O)[nH]ncc2c1-c1ccccc1C(=O)N(C(C)C)C(C)C 96148956 JFLODZFUZVNRRR-UHFFFAOYSA-N 353.426 2.652 0 50 FFAA CN(CC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1)Cc1cccnc1 95384262 MIRQVKPBWNQYDN-IBGZPJMESA-N 367.449 2.618 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(Cc1c(C)nn(C)c1C)CC2 91872797 FVPXKEWQHGQQTL-UHFFFAOYSA-N 370.545 2.910 0 50 FFAA CC[C@H](O)Cn1nc(-c2ccc(F)cc2)nc1CSc1nc(C)n[nH]1 96148824 XFDFWZSHXDTHRY-ZDUSSCGKSA-N 362.434 2.574 0 50 FFAA CCN(C)S(=O)(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 91794496 VRCNUORHPUBMOG-MRXNPFEDSA-N 362.499 2.672 0 50 FFAA CC1(C)CN(Cc2ccccc2Cl)CC[C@@]1(O)CN1CCOCC1 91526677 STSIFPNIAWRMBB-LJQANCHMSA-N 352.906 2.635 0 50 FFAA COCc1noc(CCNC(=O)c2c(C)c(C)nc3ccc(C)cc23)n1 95508977 JZRMLHBBZPCUNR-UHFFFAOYSA-N 354.410 2.662 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc(O)ccc1F 244691728 JICZJNOJFOIPLW-FRIZHTMISA-N 357.381 2.708 0 50 FFAA COC(=O)C1=C(C(=O)OC)[C@H]2C([Si](C)(C)C)[C@H]1[C@@]13O[C@]21[C@H]1CC[C@H]3C1 257356018 FGCDLBXCKFNMHJ-IXLOEAARSA-N 362.498 2.535 0 50 FFAA O=C(O)c1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cc1 299748762 ICEBUTZXBQDAQE-IAGOWNOFSA-N 367.401 2.618 0 50 FFAA O=c1cc(CN2CCO[C@H](c3ccccc3)C2)nc2sc(C3CC3)nn12 252509887 YXMUHMFHMXNZTG-INIZCTEOSA-N 368.462 2.602 0 50 FFAA COc1cccc([C@H]2CCCN2C(=O)NCC2(CN3CCOCC3)CC2)c1 534659672 FDDGZMSSCGOYSC-LJQANCHMSA-N 373.497 2.654 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCO[C@@H](C(F)(F)F)C3)n2)cc1 1167084078 KNPORDNZZUCVFF-OAHLLOKOSA-N 352.360 2.977 0 50 FFAA COc1ccc(CC2=NO[C@@H](CNC(=O)[C@H](OC)c3ccccc3)C2)cc1 299786219 PQAYUDSMVLMDNE-WOJBJXKFSA-N 368.433 2.887 0 50 FFAA CN(CC(=O)NC[C@H](c1ccccc1F)N1CCCC1)Cc1cccnc1 827825655 ADBXQTJTNRUXPC-HXUWFJFHSA-N 370.472 2.606 0 50 FFAA O=C(NC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)c1ccc2ncccc2c1 828168692 LAIWRNNLIODBDA-XFKLWTPLSA-N 374.448 2.699 0 50 FFAA O=C(NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)N1CC(O)C1 584891041 MKQLHVTVFAEUGO-UHFFFAOYSA-N 365.477 2.704 0 50 FFAA C=CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875385893 DVUMGBDKQJBWTE-OLZOCXBDSA-N 354.372 2.847 0 50 FFAA C[C@@H]1CCN(c2cc(C(=O)NC34CCC(C(=O)O)(CC3)CC4)ccn2)C1 1875304724 RUKULYIMJMBADR-WPUWVODUSA-N 357.454 2.835 0 50 FFAA CN(C)[C@H](C(=O)N(CCCO)Cc1cccs1)c1ccccc1F 952988125 MNUXIURJTYRYDS-KRWDZBQOSA-N 350.459 2.901 0 50 FFAA COCCN1CC[C@H](CNCc2c(OC)ccc3ccc(OC)cc23)C1 952973699 HUSLVMSGDIVYST-MRXNPFEDSA-N 358.482 2.915 0 50 FFAA Cc1cc(F)ccc1CC(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565514306 GOFIRILOEOCGJR-IRXDYDNUSA-N 364.442 2.624 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCCO)c1cc(Cl)cc(Cl)c1Cl 1565512843 BDIVNPNCTRRZPX-RYUDHWBXSA-N 368.644 2.543 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)CC3=CSC4=NCCN34)C[C@@H]2N(C)C)cc1 1565516950 XSPWCVUTLPZBHB-MSOLQXFVSA-N 370.522 2.501 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)c3ccncc3)CC2)CC[C@]1(O)C1CCC1 1565530265 YFMBLQDTBBNICZ-HRAATJIYSA-N 357.498 2.559 0 50 FFAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 170656778 RAVREOOOEGAYMM-OAHLLOKOSA-N 356.495 2.833 0 50 FFAA COC(=O)C[C@@](C)(NC(=O)Cc1csc(C(C)C)n1)c1ccncc1 170600784 UCSFQHHUPOTFQV-GOSISDBHSA-N 361.467 2.799 0 50 FFAA O=C(NC1CCOCC1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 172026865 XBGWYHSQPOYTLP-INIZCTEOSA-N 371.403 2.758 0 50 FFAA CC(C)Oc1cccc([C@H](C)NC(=O)N2CC(NC(=O)C3CCC3)C2)c1 188799631 XAVYQXNGRQYFKO-AWEZNQCLSA-N 359.470 2.845 0 50 FFAA C[C@@H]1C(=O)NCCCN1C(=O)c1cc(-c2cccnc2)nc2ccccc12 189235851 RDJJVVHTQUHHHS-CQSZACIVSA-N 360.417 2.647 0 50 FFAA FC(F)(F)Cn1nnnc1CN1CCC[C@H](c2nc3ccccc3o2)C1 190953462 BTWYSFMIOUHYMA-NSHDSACASA-N 366.347 2.756 0 50 FFAA Cc1ccc2oc(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2n1 192211108 DMNHULKBAFZDRR-HNNXBMFYSA-N 367.380 2.806 0 50 FFAA Cc1nc(C[C@@H]2CCCN(C(=O)c3ccncc3C(F)(F)F)C2)no1 193078258 ORQHZNNKGDGFQW-NSHDSACASA-N 354.332 2.887 0 50 FFAA O=C(Nc1nnc(C(F)F)s1)[C@@H]1CCCN1C(=O)c1ccccc1 193928880 KDPJYEKWBHGNJO-JTQLQIEISA-N 352.366 2.719 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCC(=O)Nc1nncs1 1506398719 FQBKCITZFOWAME-UHFFFAOYSA-N 371.422 2.570 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(C3CCN(Cc4ccccc4)CC3)C[C@@H]12 1529114652 RNJYCWPHVDTQGL-IRLDBZIGSA-N 371.525 2.522 0 50 FFAA Cc1cccc(Cn2ncc(C)c2NC(=O)CC[C@@H](C)N2CCOCC2)c1 1529092503 UMDBSZZDLZPRPB-GOSISDBHSA-N 370.497 2.988 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@@H]1O 210182681 RWPGFCLMVPKUED-YJBOKZPZSA-N 373.522 2.968 0 50 FFAA COc1ccc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)c(Cl)c1OC 1800410329 POYXFHKQPBHPIS-ZDUSSCGKSA-N 369.845 2.670 0 50 FFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(C2CC2)[nH]n1 1704298348 JJJNWADDSRQPOD-QRWLVFNGSA-N 362.433 2.823 0 50 FFAA CSc1ncc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)cn1 12199411 FBKAHQSJMJLTJB-MRXNPFEDSA-N 360.458 2.905 0 50 FFAA Cc1nc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)cs1 15077641 FMDCZKWFMZTOEQ-UHFFFAOYSA-N 367.478 2.850 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@H](c3noc(C)n3)C2)c(Br)c1 408154539 PPZFMZFOQXZSOG-ZDUSSCGKSA-N 366.215 2.663 0 50 FFAA CCNc1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2ccccc2)cn1 222444501 JDZZQTNXFHMKHV-MOPGFXCFSA-N 365.481 2.531 0 50 FFAA Cc1nccnc1N1CCN(C(=O)NCC[C@H](C)c2ccccc2)CC1 441099863 GKMJEVLECZSYIK-INIZCTEOSA-N 353.470 2.810 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCCC[C@H]2C)c1 12040583 QWVZDLHHNUGCNJ-OAHLLOKOSA-N 361.486 2.657 0 50 FFAA O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 370639942 MCSRHFBBMHEYDS-USXIJHARSA-N 360.841 2.890 0 50 FFAA CCCN(C(=O)N[C@H](C)CS(C)(=O)=O)[C@@H](C)c1ccccc1OC 265021313 MDRPNKNSYRAIPB-KGLIPLIRSA-N 356.488 2.611 0 50 FFAA Cc1nn(Cc2nccn2-c2ccccc2)c(C)c1[C@H]1COCCN1C 852963590 VDDJHHXIVFDLTC-GOSISDBHSA-N 351.454 2.737 0 50 FFAA CCn1ncc(C(=O)Nc2cc(Cl)ccc2C(=O)[C@@H]2CCCOC2)n1 856260292 QWNSOKNTHXUCKV-LLVKDONJSA-N 362.817 2.813 0 50 FFAA CCN1CCN(CC)CCN(Cc2nc(-c3ccccc3C)no2)CC1 2325765065 QGTRXOXJEVNPMQ-UHFFFAOYSA-N 357.502 2.504 0 50 FFAA Cc1ncc2n1CCN(Cc1c[nH]c(C(=O)OCc3ccccc3)c1)C2 2325775215 KKVCKEUYFGBKDD-UHFFFAOYSA-N 350.422 2.892 0 50 FFAA CC(C)(C)CCN(CCc1ccccc1)C(=O)CC1CC(=O)NC(=O)C1 2325781054 GMONHNPWQXGCIK-UHFFFAOYSA-N 358.482 2.937 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[C@H](Cn4cccn4)C[C@H]3O)c2c1 2325785761 MKXQFELSURTBDG-CWFSZBLJSA-N 366.465 2.561 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3csc(C(F)(F)F)n3)CC2)C1 2325799615 LTDDQAPYYIPOGN-UHFFFAOYSA-N 370.418 2.742 0 50 FFAA CCCCC(=O)N(C)[C@@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868929 QNMRSVXJAJRNDX-OOKSDGMUSA-N 351.535 2.793 0 50 FFAA Cc1cccc(C)c1S(=O)(=O)NC(=O)[C@@H](N)c1ccc2ccccc2c1 2325871514 OMWOGXBFKODNHB-SFHVURJKSA-N 368.458 2.962 0 50 FFAA CCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 1219723 SDRNAKLRBTUXGS-KRWDZBQOSA-N 352.434 2.927 0 50 FFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356140849 QKHWBQYVLOIEAH-OAQYLSRUSA-N 364.449 2.657 0 50 FFAA O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@]12CCCNC2=O 2356150210 RAWNXZOBXAZLPX-HNNXBMFYSA-N 357.332 2.862 0 50 FFAA Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(C)n2-c2ccccc2)s1 4736427 FAOPVUBXWNEFCN-SECBINFHSA-N 360.468 2.855 0 50 FFAA CC(C)CCN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO 104401809 LXPXTBOHLZRVSA-HXUWFJFHSA-N 374.504 2.926 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642862 OYPPJMLKAYYWHH-BZUZOFLUSA-N 368.470 2.545 0 50 FFAA in-vitro O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@@H]1c1ncc[nH]1 116584023 AGYBFZUEZDBCDZ-ZWKOTPCHSA-N 353.470 2.771 0 50 FFAA COc1ccc(CN2CCN(c3ncccc3C)CC2)c(OC)c1OC 20725130 UNNSCEXOGOIBII-UHFFFAOYSA-N 357.454 2.738 0 50 FFAA O=C(c1ccc(O)nn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67872740 AZDFBAOTZJRGSU-ZDUSSCGKSA-N 367.384 2.731 0 50 FFAA O=C1C[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2)c2cc(F)ccc2N1 20911603 MTLOHINIRJINIW-KRWDZBQOSA-N 369.396 2.727 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)on1 229533528 RQOGFPKQFHHRDW-ZOBUZTSGSA-N 370.453 2.969 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1nnc2n1CCCCC2 67508443 LJUBZLHXTRSADL-UHFFFAOYSA-N 365.437 2.827 0 50 FFAA O=C1CCC(=O)N1CCC(=O)N1CCCc2c1cccc2C(F)(F)F 425631515 JEHJLKUNPBAABR-UHFFFAOYSA-N 354.328 2.524 0 50 FFAA O=C(O)c1cc(-c2cccc3c2OCC3)cc(S(=O)(=O)N2CCCC2)c1 72133291 DOTWOAUGCDQZPG-UHFFFAOYSA-N 373.430 2.771 0 50 FFAA O=C(O)C1(n2ccnc2)CCN(Cc2cc(-c3ccccc3)no2)CC1 72454344 OSEHUHUADRYLOW-UHFFFAOYSA-N 352.394 2.614 0 50 FFAA CN(Cc1cc2ccccc2s1)C(=O)c1cn(C[C@@H]2CCCNC2)nn1 65507539 CTUTZUSAIGPTHU-CQSZACIVSA-N 369.494 2.765 0 50 FFAA Cc1cnc2c(S(=O)(=O)N(C)C[C@@H]3CCc4nccn4C3)cccc2c1 328625796 LBYOLXRDDNWXBW-HNNXBMFYSA-N 370.478 2.623 0 50 FFAA CN1CCOc2ccc(NC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)cc21 173956081 YIDREJVJNJIGQF-OAHLLOKOSA-N 359.470 2.881 0 50 FFAA CC(C)[C@H]1CN(C)CCN1C(=O)NCc1nc2cccc(Cl)c2n1C 483309510 SNHAJDVYCLTOJB-OAHLLOKOSA-N 363.893 2.708 0 50 FFAA CC(C)n1c(S)nnc1CNC(=O)c1cc(Cl)c(N)c(Cl)c1 154149065 YIOYAGHPZGHBDX-UHFFFAOYSA-N 360.270 2.967 0 50 FFAA CCc1nsc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1 174247362 DRCZRZNZGZJUCT-UHFFFAOYSA-N 369.494 2.794 0 50 FFAA O=C(c1ccc2sccc2c1)N1CCC(C(=O)O)(n2cccn2)CC1 72472832 CGYOHNUJMFWJKL-UHFFFAOYSA-N 355.419 2.814 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1O 12455334 HMUCFDMXYHYDQK-HOTGVXAUSA-N 356.388 2.509 0 50 FFAA Cc1cc(N2CCCN(Cc3cnc(N4CCCCC4)nc3)CC2)ccn1 72158404 CJHCUJUOORFLQW-UHFFFAOYSA-N 366.513 2.883 0 50 FFAA CC(C)c1cccc(-c2ccc(C(=O)N3CCC[C@](O)(C(N)=O)C3)o2)c1 285551185 OSRKXMRXWYFOCX-HXUWFJFHSA-N 356.422 2.522 0 50 FFAA CCn1c(C)cc(C(=O)N2CCOC[C@H]2CC(=O)Nc2ccccc2)c1C 72463311 IJIRAQNBVOBXIZ-GOSISDBHSA-N 369.465 2.995 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(OC)cc2)CC1 77428787 OPGNVAGDICWLDB-UHFFFAOYSA-N 357.502 2.748 0 50 FFAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Oc2ccc(C)cc2)CC1 77341688 KIQGQHHQETVELC-MOPGFXCFSA-N 358.482 2.917 0 50 FFAA O=C1CCCN1CC[C@H]1CN(C(=O)c2ccc(O)nc2)c2ccccc21 175438790 QNWVUYRJLVCBMB-HNNXBMFYSA-N 351.406 2.544 0 50 FFAA CCOC1=N[C@]23CCC[C@]12[C@H]1C=C[C@H]3[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 216342957 FZYDUPOOUKIPED-RSLLIFQGSA-N 362.429 2.966 0 50 FFAA O=C(CN1CCCCCC1=O)N1CCC([C@@H](O)CCc2ccccc2)CC1 77374951 ZXROJCLSWPFEMZ-FQEVSTJZSA-N 372.509 2.621 0 50 FFAA CC[C@](CNC(=O)c1cnc2cc(C)nn2c1C)(C(=O)O)c1ccccc1 263126989 YPEQMAFRRGVBHE-HXUWFJFHSA-N 366.421 2.509 0 50 FFAA CCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 17075618 DLRRFLVQYAJENW-UHFFFAOYSA-N 368.499 2.881 0 50 FFAA CN(CCCc1cnn(C)c1)C(=O)c1cccc(CC2CCNCC2)c1 72125592 FJELOZFLPCXKHF-UHFFFAOYSA-N 354.498 2.667 0 50 FFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](N2CCOCC2)C1 176919837 SBSZTCJMILAVKS-NSHDSACASA-N 359.253 2.549 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1COc2ccccc2C1 133637766 CODGICBGBWQONM-CQSZACIVSA-N 357.479 2.867 0 50 FFAA COc1ccc([C@@H](NC(=O)c2csc(C(C)=O)c2)C2CC(O)C2)cn1 223015663 JOWUXOZPZQPBTB-MKTAYPAQSA-N 360.435 2.596 0 50 FFAA O=C([C@@H]1COc2ccccc2C1)N1CCC(OCc2cccnc2)CC1 82145976 VCZQDVFPNJBYKY-SFHVURJKSA-N 352.434 2.841 0 50 FFAA O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1nc2ccccc2o1 223097580 FUOLBBCHUNNAPU-QGZVFWFLSA-N 365.433 2.735 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1 426621848 XDXXJPBJFMLJFK-AWEZNQCLSA-N 374.343 2.765 0 50 FFAA COc1cccc(F)c1C(=O)NC1CCN(C(=O)N2CCCCC2)CC1 221384976 QCPQTXKPFHBWFC-UHFFFAOYSA-N 363.433 2.634 0 50 FFAA CN(C)c1ccc(CC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1 82137492 LKNVWTNLCDZJKO-LJQANCHMSA-N 357.498 2.689 0 50 FFAA COc1ccc(C(=O)Cn2cc(-c3cccc(OC)c3)n(C)c2=N)cc1 334157488 AYZYURBYCVGGNN-UHFFFAOYSA-N 351.406 2.873 0 50 FFAA CN1CCN2C[C@@H](NC(=O)Nc3ccc(SC(F)(F)F)cc3)C[C@H]2C1 95526925 SQVYDCVWWQQLQX-STQMWFEESA-N 374.432 2.808 0 50 FFAA Cc1cc(S(=O)(=O)N2CC(C)(C)[C@H]2c2nccn2C)c(F)cc1F 295199902 FEKYSOSWHRCNFH-CQSZACIVSA-N 355.410 2.779 0 50 FFAA COCC(=O)N1CCC[C@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 95383084 QWCHKNVKCRCLQO-FQEVSTJZSA-N 366.461 2.855 0 50 FFAA CCCCc1ncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)[nH]1 95524915 MQCYMUKECLHEAK-WMLDXEAASA-N 373.526 2.832 0 50 FFAA Cc1cc(N2CCC(NCc3nnc4ccccn34)CC2)nc(C(C)C)n1 95531530 UPTUEJWUGBVRHX-UHFFFAOYSA-N 365.485 2.710 0 50 FFAA CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1c(CC)noc1C)CC2 95503400 JWBJWGPXGHKHGI-UHFFFAOYSA-N 371.485 2.668 0 50 FFAA CCc1c(C)nn(Cc2nc(-c3ccncc3)nn2C[C@@H](O)CC)c1C 96130783 SUOKDKOTLJYFMB-INIZCTEOSA-N 354.458 2.535 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 239433157 XHKGLSKZVRERJG-ZONKCHNNSA-N 364.445 2.684 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cncs3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95500359 KTXNINWDXOXFMZ-QXAKKESOSA-N 369.490 2.854 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)CCc1ccccc1)CC2 91680856 WCYFCKRBHJDTBX-UHFFFAOYSA-N 372.509 2.887 0 50 FFAA CCOc1ccc(NC(=O)NCCc2nncn2C)cc1C(F)(F)F 96164538 OHHHIMSQCWEVGW-UHFFFAOYSA-N 357.336 2.597 0 50 FFAA CCc1nnc(CN(C)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)o1 96132973 NMZOCVGODRHCKN-OAHLLOKOSA-N 360.414 2.854 0 50 FFAA COc1ccccc1OC1CCN(C(=O)NCCCn2cc(C)cn2)CC1 534658099 MEOOMUHHXCMMOA-UHFFFAOYSA-N 372.469 2.843 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cn3)cc2)[C@@H](C)C1=O 534631031 AEGKWQZPPKTMFV-AWEZNQCLSA-N 365.433 2.644 0 50 FFAA Cc1cc(NC(=O)N[C@H]2COC[C@@H]2N2CCCCC2)n(-c2ccccc2)n1 299773832 GAUHJSNYFYYXQW-ROUUACIJSA-N 369.469 2.556 0 50 FFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1cccc(Cn2cncn2)c1 299755135 AKGQSSWEETWEGR-UHFFFAOYSA-N 351.414 2.591 0 50 FFAA CN1C[C@]2(CCN(C(=O)Nc3ccc(Oc4ccccc4)nc3)C2)OC1=O 299793141 GHQOQESQBQOJER-IBGZPJMESA-N 368.393 2.932 0 50 FFAA O=C(c1cccnc1)N1CCC(NCCN2CCCc3ccccc32)CC1 828184865 KMACAOCLEQTTJC-UHFFFAOYSA-N 364.493 2.729 0 50 FFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)NCCc3cccnc3Cl)C2)n1 1875301207 DMAJSHPMLAOXPK-OAHLLOKOSA-N 362.865 2.533 0 50 FFAA CC1(c2cc(C(=O)N[C@]34CCC[C@H]3N(C(=O)C3CC3)CCC4)no2)CC1 1875404998 IXABHSUSGOFJBQ-QRWLVFNGSA-N 357.454 2.780 0 50 FFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)CN(C)Cc1ccncc1 952867560 PCIZIFHCADIFFX-UHFFFAOYSA-N 363.421 2.623 0 50 FFAA CC(C)(C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccccc1 1565512787 FYRQOJYJVSAYQR-IRXDYDNUSA-N 360.479 2.911 0 50 FFAA Cc1cc(Cl)ccc1-c1cccc(C(=O)N2C[C@H](CO)[C@@H](CO)C2)c1 1565508815 YJQGLKMUXDDJNX-IAGOWNOFSA-N 359.853 2.988 0 50 FFAA O=C(CCCc1ccc(F)cc1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565505796 GLWAUGKUOQYQQS-ROUUACIJSA-N 358.413 2.896 0 50 FFAA Cc1cc(I)cnc1NC(=O)[C@@H]1CCO[C@@H](C)C1 272068015 KYJUPUORPJSEJG-VHSXEESVSA-N 360.195 2.748 0 50 FFAA CC(C)C[C@@H](C)Oc1cc(CNC(=O)N2CCN3CCC[C@@H]3C2)ccn1 171908930 GDYLNBNVVICGIA-SJLPKXTDSA-N 360.502 2.885 0 50 FFAA CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 188086183 YWVUEGJYJLNWBB-QAPCUYQASA-N 360.502 2.921 0 50 FFAA CCc1cnc(CCNS(=O)(=O)c2cccc3c2OC(C)(C)C3)s1 192638396 JMCHYNOTTJSNFR-UHFFFAOYSA-N 366.508 2.940 0 50 FFAA Cc1nc([C@@H](C)N(C)S(=O)(=O)c2ccccc2C(=O)O)c(C)s1 1506397105 YWUUUAVPPXLYLT-SECBINFHSA-N 354.453 2.840 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)c1nccc(N2CCC[C@H](O)C2)n1 1704298478 GFVHLXGHEZVXKN-AWEZNQCLSA-N 370.482 2.526 0 50 FFAA O=C(O)[C@]12CCOC[C@H]1CN(c1ncc(C(F)(F)F)cc1Cl)C2 1772704081 BPRLUGURNLENHC-RNCFNFMXSA-N 350.724 2.681 0 50 FFAA c1ccc(CN2C[C@@H]3COC[C@H](C2)N(c2ccc4ccccc4n2)C3)nc1 1772712164 IVSBJWPEFIJTIV-PXNSSMCTSA-N 360.461 2.967 0 50 FFAA Cc1n[nH]cc1C(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11936330 BYSGGTKOIFFOIE-FQEVSTJZSA-N 370.428 2.512 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 12404290 KSYROUGGKIATLO-UHFFFAOYSA-N 356.422 2.697 0 50 FFAA CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 13450821 ZPZXBSYRQXXUMN-SNRMKQJTSA-N 369.465 2.932 0 50 FFAA CCCCN[C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 14753997 IUMMANDIVBVHAJ-KRWDZBQOSA-N 354.498 2.880 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3cnsn3)CC2)c1 15071451 YZCPGCGFWKBOGV-UHFFFAOYSA-N 374.466 2.818 0 50 FFAA CCOc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 18106453 MNQODASRMQMUJM-GOSISDBHSA-N 356.397 2.689 0 50 FFAA CC(C)CCNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 19335877 VQUFCQRUZWXMPU-FQEVSTJZSA-N 372.557 2.920 0 50 FFAA O[C@@H](c1ccccc1)c1cn(C2CCN(C3CCSCC3)CC2)nn1 19745715 UAZBXJVOUBEWJT-IBGZPJMESA-N 358.511 2.892 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3OC)C[C@@H]2CCO)c1 19838293 NZFSVJRIMOWULN-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c(C)c1 2890044 BCDKCERGWIBYHV-AWEZNQCLSA-N 356.403 2.821 0 50 FFAA Cn1cc2c(NCc3cccc(COC4CCOCC4)c3)ncnc2n1 119407648 RWKIEKVSXRSOSA-UHFFFAOYSA-N 353.426 2.671 0 50 FFAA Cc1cc(C(=O)NCc2nc(C(=O)O)cs2)cc(C)c1OC(F)F 124140210 KMILZHPHLQHHNY-UHFFFAOYSA-N 356.350 2.990 0 50 FFAA CC[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)C[C@@H]1O 332138475 LPNGNSQXFBNATM-SKDRFNHKSA-N 370.787 2.701 0 50 FFAA Cc1ccc(N2CCC(C(=O)NCc3ccc(C(=O)O)cc3)CC2)nc1 237875261 FVKLSCYGFFLOMD-UHFFFAOYSA-N 353.422 2.621 0 50 FFAA COCCN(C)c1ccc(CNC[C@H]2CCN(c3ccccc3)C2)cn1 242284612 YICXICSXFNBCSV-LJQANCHMSA-N 354.498 2.780 0 50 FFAA COc1ccc(C[C@@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)c(O)c1 13481985 FMFZMWWKEGLLRS-LLVKDONJSA-N 360.362 2.563 0 50 FFAA biogenic CC[C@]1(C(=O)NCc2ccsc2)C[C@H]2CC[C@@H]1N2c1nccc(N)n1 1704327754 FXHVSYDKXIMOGK-GLJUWKHASA-N 357.483 2.574 0 50 FFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2nnc(C3CC3)n2C)cc1 818024453 OEPOJHCCRYWALH-XLIONFOSSA-N 356.470 2.573 0 50 FFAA CC1(c2ncc(C(=O)N=[S@@]3(=O)CCc4ccccc43)s2)OCCO1 926037658 PTDXWYZTDIMDIX-XMMPIXPASA-N 364.448 2.586 0 50 FFAA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)cc2)cc1 715189 KPZBMCXZCSYXTJ-SFHVURJKSA-N 368.389 2.772 0 50 FFAA N=c1[nH]nc(C2CN(C(=O)C[C@H](c3ccc(Cl)cc3)C(F)(F)F)C2)o1 2325810838 IGLUMNMKDQPDGT-LLVKDONJSA-N 374.750 2.798 0 50 FFAA CCNCc1ccc(NC(=O)c2cc(Br)cn3ncnc23)cc1 2325857229 UKABYSYOCMTVGU-UHFFFAOYSA-N 374.242 2.854 0 50 FFAA Cn1c(C(=O)N[C@](C)(CC(=O)O)c2ccncc2)cc(Cl)c1Cl 911627032 VRBURTNQWDGYBZ-OAHLLOKOSA-N 356.209 2.847 0 50 FFAA O=C1NCCC[C@@]12CCCN2Cc1cccc(OCc2ccccn2)c1 2356152171 RSTYPZAUJFBTQD-OAQYLSRUSA-N 351.450 2.905 0 50 FFAA COc1cccc(OCC(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 4512637 RQAVMZFXODLQIG-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA O=C([C@@H](O)c1ccccc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4857348 XMELLPBLFVJOER-RDJZCZTQSA-N 364.323 2.608 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)N1CCC[C@@H](c2ccn[nH]2)C1 114942971 HYSLIZCFLOUQIW-MRXNPFEDSA-N 350.426 2.685 0 50 FFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCCCC2)c1 106235269 WLPFTFAYSBYQBB-RLFYNMQTSA-N 362.495 2.780 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)CCC(=O)NC2CCCC2)cc1 55568712 IHKDHYLYFZGUST-UHFFFAOYSA-N 354.454 2.636 0 50 FFAA CCn1ccc(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 67820838 SMDCZVWRALGNCS-UHFFFAOYSA-N 364.405 2.705 0 50 FFAA Cc1cc(CN2CCN(C(=O)NCCc3cc4ccccc4[nH]3)CC2)on1 136656609 QUCPPEIOOPYEET-UHFFFAOYSA-N 367.453 2.534 0 50 FFAA Cc1ccc([C@@H](NC(=O)CN2CCC[C@@H](c3n[nH]c(C)n3)C2)C2CC2)cc1 230125447 VBTBPAMJMNTWHP-UYAOXDASSA-N 367.497 2.868 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nccc(C(F)(F)F)n1 328628584 NXLFMCOKTATYAR-SWLSCSKDSA-N 368.407 2.748 0 50 FFAA C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCCc2ccccc2CC1 333659362 GQBAZDCZRFTGFS-INIZCTEOSA-N 363.461 2.851 0 50 FFAA COCCN1C[C@@H](n2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)CC1=O 67973724 IEBFUJOSXITPOT-INIZCTEOSA-N 365.437 2.668 0 50 FFAA CN(Cc1ccccc1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12612976 CIMPFBJSCNRUPA-NRFANRHFSA-N 356.441 2.811 0 50 FFAA CCc1noc([C@H](C)Nc2nc(-c3ccncc3)nc3c2c(C)nn3C)n1 72426580 WUKOARDTLAPZGY-NSHDSACASA-N 364.413 2.852 0 50 FFAA Cc1nc2sccn2c1CN1CCN(C2CCCCC2)[C@H](CCO)C1 39532388 KCXIXCDYQYAQIU-QGZVFWFLSA-N 362.543 2.906 0 50 FFAA Cc1ccc([C@@H]2CCN(C(=O)[C@](C)(O)Cn3ccc(C)cc3=O)C2)c(C)c1 332281861 JPVQZMVLNUWXNY-XMSQKQJNSA-N 368.477 2.541 0 50 FFAA Cc1ccc(NC(=O)[C@H]2CN(C(=O)Nc3c(C)cccc3C)CCO2)cn1 72410251 WDPXLFAIJHYZEF-QGZVFWFLSA-N 368.437 2.878 0 50 FFAA COc1c[nH]c(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1=O 77524913 QGPPTBGHXCSANO-HNNXBMFYSA-N 352.394 2.771 0 50 FFAA COc1cccc(CN2CCN(c3ncnc4sccc34)CC2=O)c1 32541242 HPUBCNFYJZRIIH-UHFFFAOYSA-N 354.435 2.549 0 50 FFAA CCc1n[nH]cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 72132130 LARFCNBFSAOFBH-DFQSSKMNSA-N 368.456 2.814 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1=Cc2ccccc2CC1 157057768 JIJOCZBMQKFTOH-INIZCTEOSA-N 358.467 2.582 0 50 FFAA Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(C(C)(C)C)s3)C2=O)n1 157513528 ZWFSVZCAVHPURN-LBPRGKRZSA-N 360.483 2.705 0 50 FFAA CCOc1c(Br)cc(C(=O)N2CCC[C@H]2C(=O)O)cc1OC 262659634 MNEUDQLXZDAMPT-NSHDSACASA-N 372.215 2.546 0 50 FFAA C[C@](O)(C(=O)NC[C@@]1(C)CCCC[C@H]1O)c1ccccc1C(F)(F)F 241587787 OXFJLPYFFGZVOI-DJIMGWMZSA-N 359.388 2.970 0 50 FFAA O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H](C(=O)O)[C@H]1CCCOC1 262713719 CENWCFRMDAZYHZ-XHDPSFHLSA-N 360.237 2.922 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1C(=O)N1CCCCC1 242191281 XEHUTJASKSUHPX-LBTBCDHLSA-N 368.433 2.774 0 50 FFAA CCCN1CCN(C2CCN(C(=O)c3cccc4cccnc34)CC2)CC1 377594484 XEAWMGJYVHTEOY-UHFFFAOYSA-N 366.509 2.867 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(=O)[nH]2)c2ccc(C)c(C)c2n1 77319172 XSLLAAJXVWGGOD-OAHLLOKOSA-N 351.410 2.549 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)coc2c1C 72171442 YUVAWQSIPGJUPX-HXUWFJFHSA-N 356.422 2.954 0 50 FFAA Cc1noc(C)c1CN(C)Cc1cc2n(n1)CCCN(C[C@@H]1CCCO1)C2 72130835 OGEKMDDWDVPKCP-IBGZPJMESA-N 373.501 2.505 0 50 FFAA COc1ccc(F)cc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 82161323 GBKWCRPTSWEHMR-INIZCTEOSA-N 350.434 2.551 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C[C@@]23C=C[C@H]1O3 226888865 JJPOBFQKVTVHJJ-NNFUDEMPSA-N 361.825 2.970 0 50 FFAA O=C(NCCCc1ccccn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 220525906 NIOKVMQMTPXXQQ-AWEZNQCLSA-N 357.841 2.837 0 50 FFAA CCc1nc2cc(NC(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)ccc2n1CC 426478830 CDLGFIGQNFZQGB-IBGZPJMESA-N 371.441 2.677 0 50 FFAA COc1ccc(-c2ccccc2)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 226773406 PCBJUYJXNXXCMY-MKXGPGLRSA-N 365.385 2.955 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)NC2c3ccccc3-c3ccccc32)C1 426473618 OWNHNUAMOKIILJ-INIZCTEOSA-N 365.477 2.976 0 50 FFAA Cc1ccc([C@H](C(=O)NCCNC(=O)c2ccccc2Cl)N(C)C)cc1 91695157 FMXHBFJKWSJDMM-GOSISDBHSA-N 373.884 2.797 0 50 FFAA O=C1NC2(CCN(C(=O)COc3ccccc3)CC2)C[C@@H]1c1ccccc1 95375105 YMCXTTGKDSNINQ-LJQANCHMSA-N 364.445 2.730 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNC(=O)Cc1ccc(N(C)C)cc1)C2 91997558 DUBWQSSLQDXGNO-INIZCTEOSA-N 354.450 2.671 0 50 FFAA Cc1nn(C)c2nc(NCC3CCN(C4CCN(C)CC4)CC3)sc12 96140304 JUTXJBUWXIRCHT-UHFFFAOYSA-N 362.547 2.556 0 50 FFAA CCc1noc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91412544 RDKAADIQUDDRQD-IBGZPJMESA-N 357.410 2.732 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)[nH]n1 91270258 BBRYQYAMYJHHIK-UHFFFAOYSA-N 367.453 2.647 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@]2(CCOC2)C1 91644393 PHVWUKAYTJIOHH-IBGZPJMESA-N 363.479 2.969 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1)c1ccco1 95525174 QSRTVJDSAFLZJR-CQSZACIVSA-N 367.405 2.632 0 50 FFAA COc1cc(F)ccc1[C@@H](C(=O)O)N1CCC(Oc2cccnc2)CC1 95378973 ISKNJSVDZMMDMA-SFHVURJKSA-N 360.385 2.898 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSCCN1CCCC1 91604140 WYPGFTXULYSSPU-UHFFFAOYSA-N 358.511 2.660 0 50 FFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCC4(CCCC4)C3)ccc21 95377897 VXXRPSZZEDGVFJ-INIZCTEOSA-N 368.481 2.551 0 50 FFAA O=C1NCCN(C(=O)c2ccc3ncsc3c2)[C@@H]1c1cccc(F)c1 97813843 ZIUUOALVWYUIIJ-MRXNPFEDSA-N 355.394 2.749 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCN[C@H](c2ccccc2)C1 96141866 WHONNFWMDYXGSL-IBGZPJMESA-N 364.449 2.992 0 50 FFAA CC(=O)c1cccc([C@@H](C(=O)O)N2CCN(Cc3cccc(F)c3)CC2)c1 95356044 IBVPSXAMPRJRJJ-FQEVSTJZSA-N 370.424 2.972 0 50 FFAA CC(C)=CCN1CC2(CCN(Cc3ccccc3OCCO)CC2)CC1=O 95365232 LRQDQWHCFKGDSX-UHFFFAOYSA-N 372.509 2.838 0 50 FFAA CC(C)c1ccc([C@@H](CCO)NC(=O)c2ccc(-n3cnnc3)nc2)cc1 97578705 ZDSODHFNTSEGOC-GOSISDBHSA-N 365.437 2.639 0 50 FFAA Cn1ccnc1[C@H](NC(=O)Nc1ccnn1CC1CC1)c1ccccc1 96150312 CMGXXPCGULHUMW-QGZVFWFLSA-N 350.426 2.938 0 50 FFAA Cc1cc([C@H]2CCCCN2CC(=O)Nc2nc(C)c(C(=O)O)s2)no1 240128284 IPIUIFGAQSJSQS-GFCCVEGCSA-N 364.427 2.612 0 50 FFAA COc1ccc([C@H](NC(=O)c2c(F)ccc(C)c2F)[C@H]2C[C@@H](O)C2)cn1 244872865 WFSKDJMXWLUEMG-JCGVRSQUSA-N 362.376 2.919 0 50 FFAA COc1ccc(Cl)cc1CN1CCN([C@H](C)c2nc(C)no2)CC1 298303758 LNCOASGJPBACGL-GFCCVEGCSA-N 350.850 2.919 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(CN2CCCC2=O)c1 299751146 PRRZSSBNXHOCGO-NJAFHUGGSA-N 370.449 2.667 0 50 FFAA COc1cc(C(=O)NC2(C(=O)O)CCCC2)cc(OC)c1Br 299740689 BDDSBTJVKYDXEZ-UHFFFAOYSA-N 372.215 2.594 0 50 FFAA Cc1nc(C)c(CCNS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)s1 185016773 HZOZAEBRNURBRZ-UHFFFAOYSA-N 368.480 2.596 0 50 FFAA CCOc1cc(=O)n2c(c1C(=O)NCc1cccc(OC)c1)CCCCC2 263618384 SSARINDJWDSRFG-UHFFFAOYSA-N 370.449 2.912 0 50 FFAA COc1ccc2oc(CNS(=O)(=O)c3cc(C)sc3C)nc2c1 534639988 SIFZTQHANMRFDJ-UHFFFAOYSA-N 352.437 2.993 0 50 FFAA CC[C@H]1CN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)Cc2cc(OC)ccc2O1 299769334 WSVOFJBKZLMNOT-NDUPCHFUSA-N 370.493 2.997 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1C 299769068 ITISKVDHZFYWHJ-FQEVSTJZSA-N 374.485 2.530 0 50 FFAA C[C@@H](NC(=O)c1nn(C)cc1I)[C@@H]1C[C@H]2CC[C@H]1C2 102616565 IFZNMBRSZLXSSZ-RCWTZXSCSA-N 373.238 2.579 0 50 FFAA Cc1c(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)[nH]c2ccc(Cl)cc12 299782984 FAZVBACLNJASNZ-HOTGVXAUSA-N 371.828 2.707 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)CC[C@H]1CCCCO1 299784668 ZUNXASDDNSEVKU-CQSZACIVSA-N 354.472 2.821 0 50 FFAA COCCN(Cc1c(C)nn(C)c1C)C[C@@H]1CC(=O)N(c2ccccc2)C1 299773476 CGIYWVHUIOZMBM-SFHVURJKSA-N 370.497 2.538 0 50 FFAA COCC1(CNC(=O)N2CC(OCc3ccccc3F)C2)CCCC1 584900446 LVUFVRSUQJQMHW-UHFFFAOYSA-N 350.434 2.943 0 50 FFAA O=C(Nc1cn(CC(F)(F)F)nc1C1CC1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1875318656 KRHQODCWMBESLH-ZSBIGDGJSA-N 358.364 2.557 0 50 FFAA O=S(=O)(Cc1ncsc1Cl)NC1CC(OCc2ccccc2)C1 1875394503 KMYRZMOOSKOWBV-UHFFFAOYSA-N 372.899 2.964 0 50 FFAA CN1CCN(C(=O)[C@@H]2C[C@@H]2c2nc(C(F)(F)F)no2)c2ccc(F)cc21 1875306364 BSXPWZLKYAMQNY-VHSXEESVSA-N 370.306 2.814 0 50 FFAA Cc1nc2cccc(C(=O)N[C@@H](c3cccs3)C3(CO)CCC3)n2n1 1875405371 FDGNMJDCKFNNHB-INIZCTEOSA-N 356.451 2.733 0 50 FFAA O=C(C[C@@H]1CNC[C@H]1O)NCc1oc2ccc(F)cc2c1-c1ccccc1 1875401189 SQQCMGULDCHUIY-RHSMWYFYSA-N 368.408 2.826 0 50 FFAA CN1CCC[C@H]1CCNC(=O)N1CCC(c2ccccc2C(=O)O)CC1 952852397 JVKHVLOBOHYSMO-INIZCTEOSA-N 359.470 2.758 0 50 FFAA CC(=O)c1c(C)cc(NC(=O)C(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1C 890056278 TZUVIMVICZVMCR-RDJZCZTQSA-N 360.454 2.764 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc32)C1 1346080487 JGNRABFVXOPUQL-HRAATJIYSA-N 366.465 2.978 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565506079 MYRQSVNITLTQNQ-WBVHZDCISA-N 371.510 2.821 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(Br)cn1 275396832 CEDBBBHQGPMMEL-GXFFZTMASA-N 352.236 2.645 0 50 FFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccnn1CC(F)F 279628073 BMMUUMQFLLVUFE-GFCCVEGCSA-N 354.788 2.810 0 50 FFAA O=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCc2[nH]ncc2C1 172036918 FOBWCNSDPMXKPO-LBPRGKRZSA-N 356.813 2.664 0 50 FFAA Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190029793 JWFAYWCOELLUHK-PZJWPPBQSA-N 364.449 2.774 0 50 FFAA CCCC(=O)N1CCC(C(=O)N[C@H](CC2CCCCC2)C(=O)OC)CC1 225430296 YBPIGHYWWBJTPV-QGZVFWFLSA-N 366.502 2.653 0 50 FFAA CCCn1nc(C)c(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1C 1529169360 XVQCTOWQGQKUHA-KRWDZBQOSA-N 354.454 2.865 0 50 FFAA COc1cc(-c2onc(N3CCC[C@@H](OC)C3)c2C(=O)O)ccc1F 1704325592 QHJDPGLOCQISBS-LLVKDONJSA-N 350.346 2.803 0 50 FFAA O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1 5626410 CZMBDNFITNISAE-UHFFFAOYSA-N 356.382 2.702 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(OC)cc1)C2 14537401 LVGJMFZXQGOKKB-UHFFFAOYSA-N 368.481 2.706 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3ccnn3C)n1)CCN(c1ccccn1)C2 19771268 GZMLUKUDIJFKBL-UHFFFAOYSA-N 373.420 2.798 0 50 FFAA COc1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cn1 1857671470 SQHOAAMUVRATEG-UHFFFAOYSA-N 354.435 2.662 0 50 FFAA Cn1nc(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)nc1Cl 1857691413 JXWMYXAVJMNRRE-UHFFFAOYSA-N 351.794 2.661 0 50 FFAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(C3CCSCC3)C[C@]23CC[C@H]1O3 1857739113 DBNKAEPAZMYFNN-WFXMFSGNSA-N 352.544 2.524 0 50 FFAA O=C(CSc1ccccn1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857739254 GRCHVLPVNUGESQ-OKZBNKHCSA-N 369.490 2.504 0 50 FFAA Cc1c(CNC(=O)N2CCN(c3cnccn3)CC2)oc2ccccc12 115687549 MQYOMOFRTDWZHB-UHFFFAOYSA-N 351.410 2.563 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc([C@@H]3C[C@H]3C)o2)CC(=O)N1C 328637973 WEQPHRHWXVVQIE-GJXNZEFLSA-N 356.470 2.815 0 50 FFAA Cn1ccnc1N1CCC(NC(=O)c2cc(Br)cs2)CC1 328711740 CBLPZDDUFOEEAV-UHFFFAOYSA-N 369.288 2.643 0 50 FFAA CCO[C@@H](C)c1nc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)cs1 237031663 TUOXSMAGIRQADX-STQMWFEESA-N 354.472 2.887 0 50 FFAA COC[C@@](C)(NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)O 237228785 KUIQBVLDTUZGNP-OAHLLOKOSA-N 354.815 2.683 0 50 FFAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCOc3ccccc32)C(=O)O)c1 237668443 IHHLYDFQIAYDJX-FUHWJXTLSA-N 353.418 2.921 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C2CCOCC2)c(Cl)c2ccccc21 237709458 TYPCKMHYMWPLEN-UHFFFAOYSA-N 364.829 2.928 0 50 FFAA Cn1cncc1C(=O)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1 20451650 LJCQKOMYPNMADI-HXUWFJFHSA-N 366.509 2.837 0 50 FFAA O=C1CCCN1C[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1Cl 363515248 DSLVOEPYXLEJPW-AWEZNQCLSA-N 368.836 2.861 0 50 FFAA COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccncc2)c1 705318 UJLFWCCXPKZSMY-INIZCTEOSA-N 365.311 2.700 0 50 FFAA CCOc1cc(C)c(CN2CCO[C@@H](c3nnn(C)n3)C2)cc1C(C)C 2100537550 PREKRJOFTPRREL-GOSISDBHSA-N 359.474 2.614 0 50 FFAA N=c1[nH]c(Cl)cc(=NC[C@H]2CCOc3ccc(Br)cc32)[nH]1 2325824562 GQJUBFJSYYIRLX-MRVPVSSYSA-N 369.650 2.705 0 50 FFAA C[C@H](C(=O)N=c1[nH][nH]c2ccnc(O)c12)c1cccc(C(F)(F)F)c1 2325860542 LBYOEAPQGQWRBW-QMMMGPOBSA-N 350.300 2.846 0 50 FFAA Cc1cc(C(=O)NC[C@H](C)NC(=O)c2ccc[nH]2)ccc1C(F)(F)F 2325869001 VECKYHJWOZDUCX-NSHDSACASA-N 353.344 2.890 0 50 FFAA CC(C)(CNC(=O)c1c(C(F)F)nc2cnccn12)C1CCOCC1 887383210 GZAXXOMDHJJCFG-UHFFFAOYSA-N 352.385 2.850 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4840148 SKDIXXFLVGQKKA-OAHLLOKOSA-N 354.406 2.565 0 50 FFAA COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@@H]3C(=O)OC[C@H]32)ccc1O 6403699 CAYMSCGTKZIVTN-IQUTYRLHSA-N 356.374 2.592 0 50 FFAA biogenic,in-vitro COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1NC(C)=O 10230900 KAUJYSMZYACQQH-UHFFFAOYSA-N 360.439 2.791 0 50 FFAA COCc1ccccc1NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O 112418943 HQPAWFVZIDXDAK-INIZCTEOSA-N 357.385 2.899 0 50 FFAA C[S@](=O)c1cccc(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1 118823163 BCCQBPUWYWYBIF-QWXGXRTQSA-N 371.462 2.630 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(NC[C@H]2COc3ccccc3O2)n1 55393082 GDIVCXUONNNHOC-AWEZNQCLSA-N 351.410 2.746 0 50 FFAA OCC[C@H]1CN(Cc2cccc3nonc23)CCN1CC1CCCCC1 20256513 KHSGCVFQQGHDII-SFHVURJKSA-N 358.486 2.672 0 50 FFAA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCC[C@H]1C(=O)O 136520362 MHSZUFBELCOXRZ-SKDRFNHKSA-N 373.236 2.577 0 50 FFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)cc1 77471859 FAZLFNASZDUOMR-INIZCTEOSA-N 350.422 2.969 0 50 FFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)on1 21719680 AQAVLHJUSYPAJE-NSHDSACASA-N 350.425 2.514 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(C(F)(F)F)n[nH]1 72474536 ZOZCQRPOGYENBL-CYBMUJFWSA-N 352.360 2.557 0 50 FFAA CC[C@@H](C)Sc1ncc(CN2CCN(C(=O)c3ccc[nH]3)CC2)cn1 215442615 DTSSIDUGEFBHJR-CQSZACIVSA-N 359.499 2.653 0 50 FFAA O=C([C@H]1COCCO1)N1CCc2onc(-c3cccc4ccccc34)c2C1 67756982 AMGOSJXEDGXNFN-LJQANCHMSA-N 364.401 2.795 0 50 FFAA CC(=O)Nc1ccc(C)cc1NC(=O)CCn1cnc2ccccc2c1=O 68026072 LDMLAECGLQASSB-UHFFFAOYSA-N 364.405 2.692 0 50 FFAA O=C(Nc1cccc(CN2CCCS2(=O)=O)c1)c1ccc(Cl)nc1 855205966 CLZCZLFGLBEHKU-UHFFFAOYSA-N 365.842 2.523 0 50 FFAA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1427901 QNSDBUFGGGWGLD-AWEZNQCLSA-N 365.385 2.997 0 50 FFAA Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C 1401372 BJDROABLKJLEAV-CYBMUJFWSA-N 350.415 2.748 0 50 FFAA Fc1cccc(F)c1-c1nc(CN2CC[C@H](CN3CCOCC3)C2)co1 154335677 ZBEKTRWJFRXDGT-CQSZACIVSA-N 363.408 2.774 0 50 FFAA O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCc2ccccc21 6729418 MJWGXNQBRLRQBQ-UHFFFAOYSA-N 370.474 2.677 0 50 FFAA CN(CC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1)Cc1ccccn1 77522651 RWPMJOZWEUPDHB-LJQANCHMSA-N 365.477 2.564 0 50 FFAA Cc1ncn(-c2cc(NCCNC(=O)c3ccccc3Cl)ncn2)c1C 72119306 YMWSXGYYGZXVBL-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@H](O)c3ccc(Cl)cc3)CC2=O)c1 72479306 JSJBRSYTHVDQBL-LJQANCHMSA-N 372.852 2.553 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C(=O)C2CC2)C3)cc1 72408868 YUAHTUVMSXATDC-SFHVURJKSA-N 356.466 2.673 0 50 FFAA O=C(CN1CCC(c2ccccc2)CC1)N[C@@H]1COCC[C@@H]1OCC1CC1 219844807 JBRLPJYZTLDUGE-RTWAWAEBSA-N 372.509 2.566 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 77440304 FOOAOXNLWPETJG-GOSISDBHSA-N 360.417 2.957 0 50 FFAA O=C(COc1ccc(Cl)c2ccccc12)NC1(C(=O)O)CCOCC1 262926801 KYKNPRPNKKSNIJ-UHFFFAOYSA-N 363.797 2.622 0 50 FFAA Cc1ccc2nc(CCCNS(=O)(=O)NCc3ccccc3)[nH]c2c1C 72120968 NLEZYCJJVORRQI-UHFFFAOYSA-N 372.494 2.737 0 50 FFAA COc1ccc(CN2CCN(C(=O)CCc3ccccc3F)CC2=O)cc1 77374932 LTDXDXIFPFNPKD-UHFFFAOYSA-N 370.424 2.638 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 333260966 BACGCWNRICMWDC-IUODEOHRSA-N 351.497 2.802 0 50 FFAA COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CCNC2)c1 237119351 BJIFBCFMZVXJLS-INIZCTEOSA-N 354.406 2.600 0 50 FFAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)C1CCCC1)C2 71751038 NRFAMJUCRAMCLE-UHFFFAOYSA-N 351.454 2.680 0 50 FFAA CN(C)S(=O)(=O)CCCN1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 72141784 NBEZJERVGKJQLV-MRXNPFEDSA-N 368.478 2.511 0 50 FFAA CN(C)C(=O)c1ccc(N[C@H]2CCCN(CCc3ccccc3)C2)nc1 72428259 VFQZSLFOSZYCOD-IBGZPJMESA-N 352.482 2.902 0 50 FFAA CC(C)[C@H]1CN(S(=O)(=O)C(C)C)CCC(=O)N1Cc1ccc(F)cc1 71730256 GBIZFTTVIQOCBN-QGZVFWFLSA-N 370.490 2.623 0 50 FFAA Cc1nccc(N2CCC(Oc3ccc4c(c3)CCC4)(C(=O)O)CC2)n1 82091326 SEEFHPJPGBFYAH-UHFFFAOYSA-N 353.422 2.776 0 50 FFAA CN(C)Cc1ccc(CSCCN[C@H]2CCOC3(CCOCC3)C2)o1 82134325 KVTSVTLSSBSQBX-INIZCTEOSA-N 368.543 2.892 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)NCc2cccnc2-n2cncn2)cc1 47122757 RIRSMTWMTMTJFB-CQSZACIVSA-N 353.451 2.768 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccccc3Cl)C2)CN1CCCO 82115719 YTECSDZSZUAUJO-IBGZPJMESA-N 350.890 2.927 0 50 FFAA CC(C)(C)Nc1ccc(-c2noc(C[C@H]3CCCS(=O)(=O)C3)n2)nc1 293107072 GOQSMSBVVPDISP-GFCCVEGCSA-N 364.471 2.709 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)N(CCO)Cc1ccc(F)cc1 426573357 ZGZSJHLOEVPTMG-UHFFFAOYSA-N 371.456 2.999 0 50 FFAA Cc1cc(C)n(CCCNC(=O)N(C)Cc2n[nH]c3c2CCCCC3)n1 426518936 IZZYYYUZQHJGQF-UHFFFAOYSA-N 358.490 2.724 0 50 FFAA COc1ccc(N2C[C@@H](C)N(C(=O)NCc3cccc(F)c3)CC2=O)cc1 91817679 ZISVSDXTYMNOQA-CQSZACIVSA-N 371.412 2.781 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)ccn1 180307152 CXZWXAOUGKCWJL-GOEBONIOSA-N 369.469 2.816 0 50 FFAA O=C(NCc1cnc(-c2ccccc2)s1)c1ccccc1-c1nnn[nH]1 97117332 FTYSCHMFQXVODS-UHFFFAOYSA-N 362.418 2.920 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccccc1 238170271 WPWPFBXXHKMJFL-QGZVFWFLSA-N 370.380 2.898 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN(c4ncccn4)C3)[nH]n2)s1 91452053 DOHRONUZLDOEAZ-ZDUSSCGKSA-N 368.466 2.635 0 50 FFAA COc1ccc(S(=O)(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c(C)c1 294483364 HKWQODWYUAOLKF-QGZVFWFLSA-N 351.468 2.583 0 50 FFAA CC(C)N1C[C@@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O 426360211 OUZYHUZWBLWGPX-CYBMUJFWSA-N 360.433 2.705 0 50 FFAA CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1 294707795 KPLOVUUCSYXVKI-FHHGHWCOSA-N 351.450 2.944 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](c2nccn2CC2CC2)C1 95530847 UUUITRBFQRILSX-QGZVFWFLSA-N 367.449 2.971 0 50 FFAA O=C(Cn1ccc2ccccc21)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91255473 HDLQNQZHRJEZQV-QFIPXVFZSA-N 365.477 2.892 0 50 FFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)n1cc(-c2ccc(C(=O)O)cc2)nn1 95377900 BMMYWYKXWZKCRH-GFCCVEGCSA-N 371.418 2.656 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237699736 ZHVJLBHNHNUPLA-AWEZNQCLSA-N 362.401 2.640 0 50 FFAA CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(COC)s1)CC2 91476162 UKSSSCLFFHHKFO-UHFFFAOYSA-N 350.484 2.759 0 50 FFAA CC[C@@H](O)CN1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 181721754 UAYIJNKLLCOLAM-CYBMUJFWSA-N 367.465 2.977 0 50 FFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)C1CCN(C(=O)C2CCC2)CC1 91859511 OOPGYKPDCMHYCN-OAHLLOKOSA-N 361.511 2.984 0 50 FFAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1ccc(Cn2cccn2)o1 97694964 GATWZRVLOJNBPT-GOSISDBHSA-N 364.449 2.744 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cc1=O 91547987 VPGSDODVAVOVOM-OAHLLOKOSA-N 364.449 2.839 0 50 FFAA CCOc1cccc(C(=O)N2CCC(c3nccn3CCN(C)C)CC2)c1 92064780 XPBYTIOIKLNGTF-UHFFFAOYSA-N 370.497 2.863 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)C[C@H]1c1ccccc1 91931481 MNQHCRAJUDSBMS-ZWKOTPCHSA-N 371.458 2.711 0 50 FFAA COC(=O)C1=C(CN2CCC[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(C)cc1 245256102 NREHERHYQVONSZ-KDOFPFPSSA-N 357.454 2.508 0 50 FFAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O 257349807 RMEYJLMWLPURJQ-QLSPXANJSA-N 364.482 2.616 0 50 FFAA O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCc2ccccc2C1 263616892 LBMYEDNUJLYJCP-IBGZPJMESA-N 360.417 2.748 0 50 FFAA Cc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1 263616373 IISSFKJSLZMVBR-GOSISDBHSA-N 366.396 2.927 0 50 FFAA CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3cc(O)nc(C)n3)C2)c1 299774102 GKCXFNFFUGJBRG-AWEZNQCLSA-N 369.425 2.861 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCCc1csc(-c2ccncc2)n1 299791018 CINLHOBSMSOKGJ-UHFFFAOYSA-N 369.494 2.847 0 50 FFAA CC[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H](C(=O)O)C1 269174706 JFTXSXGVGIJUMI-DGCLKSJQSA-N 354.244 2.951 0 50 FFAA Cc1sc2ncn([C@@H]3CNC[C@H]3O)c(=O)c2c1-c1cccc(Cl)c1 670437438 SEQTWEQHNBCKKX-CHWSQXEVSA-N 361.854 2.592 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1C1CC1 886071667 PEXJMMLQEQENSR-PKOBYXMFSA-N 355.438 2.875 0 50 FFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(Cc2ccc(F)cn2)C1 886096787 FSRMWOKNWQSXNM-AEFFLSMTSA-N 353.401 2.968 0 50 FFAA CCn1cc([C@@H]2OCC[C@H]2CN2CCn3c(nnc3C3CCCC3)C2)cn1 888102408 WBSBMQBUOODLIF-QFBILLFUSA-N 370.501 2.746 0 50 FFAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1ccccc1S(=O)(=O)Cc1ccccc1 1565525897 NBWCZDCKRNKGSM-RYQLBKOJSA-N 371.458 2.568 0 50 FFAA Cc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1[C@H](C)O 277225877 NTFOQNLVFMYIIC-FNHZYXHNSA-N 372.469 2.615 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CC[C@H]1CCCCO1 110214189 DDGHRVNPSPRQRK-OAHLLOKOSA-N 351.468 2.719 0 50 FFAA Cc1cc2occ(CC(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)c2cc1C 190030223 DOAQVOYLPYFHHH-FXAWDEMLSA-N 353.422 2.972 0 50 FFAA O=C(c1ccc2c(c1)CCCO2)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529175020 ZZIDQBHORDEJFN-WOJBJXKFSA-N 353.418 2.586 0 50 FFAA CO[C@@H]1C[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC[C@@H]1O 1704315461 FSIJCPOUOJQYKC-UWWQBHOKSA-N 358.438 2.710 0 50 FFAA O=C(Cc1cccc(O)c1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 212044325 QMZBNBFSHRPKLG-WBVHZDCISA-N 357.479 2.514 0 50 FFAA CSCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCc2cccs2)C1 216649061 UHXWFYUOCRTHMM-ZBFHGGJFSA-N 366.552 2.883 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1C(=O)O 216637289 MHTSMENTKOGAGY-CABCVRRESA-N 361.344 2.914 0 50 FFAA Cc1ocnc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12455338 QJHZLEJFELHTEU-FQEVSTJZSA-N 371.412 2.777 0 50 FFAA COc1ccc([C@H](CC(=O)N2CCN(C(C)=O)CC2)c2ccccc2)cc1 12706305 BGGKHMWEYMPWBB-OAQYLSRUSA-N 366.461 2.908 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(N3CCCCO3)nc2)cc1 12711384 RPVGPWNLXPYUDP-UHFFFAOYSA-N 355.438 2.985 0 50 FFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2C 14731597 HYGRLGZSFMLXQE-HNNXBMFYSA-N 359.470 2.722 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CNC3Cc4ccccc4C3)C2=O)c1 14979738 WXHTWPBQGRQNDZ-QHCPKHFHSA-N 364.489 2.606 0 50 FFAA Cn1c(CN2CCOCC2)nnc1SCc1c(F)cccc1Cl 19799139 XZORNSXWPGPMLU-UHFFFAOYSA-N 356.854 2.732 0 50 FFAA CC(C)C[C@H](C(=O)Nc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100971772 NLCPOHSSOCXNRV-VGAPYMQISA-N 352.434 2.847 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(CN)CC1 237636720 ABUWXXONBADIJH-JTQLQIEISA-N 359.239 2.553 0 50 FFAA Cc1onc(CC(=O)N(CC2CCC2)c2ccccc2)c1-c1nn[nH]n1 826343630 IJXUEKSTYGQWMM-UHFFFAOYSA-N 352.398 2.539 0 50 FFAA CN(C)CC/C(Cl)=C/C(=O)N1CCC(c2ccccc2CO)CC1 2325805477 LSIRZUCGGSDUDQ-LGMDPLHJSA-N 350.890 2.959 0 50 FFAA CCn1ncc(CNC(=O)C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1C 2325810762 CEEPXRDFQYDPSY-CZIWCDLHSA-N 374.872 2.543 0 50 FFAA Cc1cc(F)cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 2325842983 ONPAALXIFQZFFM-OAHLLOKOSA-N 358.417 2.625 0 50 FFAA Cn1ccc(Nc2ccc(C(=O)NC[C@@H]3Cc4ccccc4CN3)cc2)n1 2325859935 QGYKKIOXMDUUKC-IBGZPJMESA-N 361.449 2.608 0 50 FFAA CN1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 757910 OUZDGWFNXACSFL-UHFFFAOYSA-N 353.304 2.827 0 50 FFAA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)c1 1145658 HKJVNXJMTVUDIW-UHFFFAOYSA-N 350.415 2.702 0 50 FFAA CCCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@](O)(C(F)(F)F)C1 1436972 OQIYDBGLTUUGFK-MRXNPFEDSA-N 374.359 2.886 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cccc(F)c2F)CC[C@@H]1O 2356135748 RRFLAUAIAVZRSS-KBXCAEBGSA-N 355.381 2.679 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(-c3cncc(N)n3)cc2)n1 2356149962 FXOVMLOEFUQMLG-LBPRGKRZSA-N 366.425 2.798 0 50 FFAA CCCCC(=O)NC(=S)Nc1ccc(I)cn1 2827143 UYCVMTOJDLBCKQ-UHFFFAOYSA-N 363.224 2.689 0 50 FFAA C[C@H]1CN(C[C@@H]2CCC[C@H](NC(=O)c3n[nH]c4ccccc34)C2)C[C@@H](C)O1 2356161293 ONHNJBZOUQBPBF-TWMKSMIVSA-N 370.497 2.961 0 50 FFAA Cc1cc(I)c(O)c(I)c1 4257632 YLNIUGKLFHIHRA-UHFFFAOYSA-N 359.932 2.910 0 50 FFAA CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 4742187 YWISFKMFFTXJDP-UHFFFAOYSA-N 364.423 2.853 0 50 FFAA CCS(=O)(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1 4809542 WQKRIXHHXIRBNI-UHFFFAOYSA-N 364.492 2.970 0 50 FFAA Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccccn1 6699819 RLVHLTMBFYHTEX-UHFFFAOYSA-N 373.869 2.939 0 50 FFAA Cc1ccc(C)c(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 109202272 JSMVMJIUULAJPE-INIZCTEOSA-N 351.406 2.773 0 50 FFAA C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F 3995739 LJLXQHHFAKVTNP-HNNXBMFYSA-N 373.352 2.771 0 50 FFAA in-vitro CSCC[C@@H]1c2nc[nH]c2CCN1Cc1ccc(-n2cncn2)cc1 67458519 ORWLTFALEASJCJ-QGZVFWFLSA-N 354.483 2.843 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)c(C)n1 36385573 XCNMSOSIQQZJNR-LJQANCHMSA-N 360.502 2.572 0 50 FFAA Cn1ncc(I)c1C(=O)Nc1ccc2c(c1)CCC2 2767220 RMFRHTBDHRXFLL-UHFFFAOYSA-N 367.190 2.766 0 50 FFAA COc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2C)cc1OC 3626931 GQHRPCWAXLBKPL-OAHLLOKOSA-N 373.405 2.723 0 50 FFAA CCCn1nccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 77385763 NXLHEIBSBAUTJT-HXUWFJFHSA-N 358.486 2.548 0 50 FFAA CCN(C)C(=O)c1ccc(N(C)Cc2cc(-c3ccncc3)no2)nc1 77298787 DTAFSSNOSPMTRS-UHFFFAOYSA-N 351.410 2.860 0 50 FFAA CN(C)CCC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 363536296 LNBFIUZSCAGTSF-HXUWFJFHSA-N 371.525 2.872 0 50 FFAA CNc1ncccc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2F)C1 72426863 OBADFHAARJBYRW-INIZCTEOSA-N 356.445 2.999 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)c3cccc(CO)c3)CC2)cs1 365859023 WUQHTHDUVDNZKT-UHFFFAOYSA-N 359.495 2.586 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(Cl)c(F)c3)CC[C@@H]2N1CCCO 215090968 HZUYRMYJWWQDRG-PBHICJAKSA-N 354.853 2.674 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 72474697 TUZJAWCNBBPKSX-GOSISDBHSA-N 368.481 2.579 0 50 FFAA CN1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)CC1 71384834 XLSBWARYIIATAL-UHFFFAOYSA-N 374.506 2.779 0 50 FFAA COc1cccc(C2(NS(=O)(=O)c3cccs3)CCOCC2)c1F 447841038 VXPJSAQUUXIDOZ-UHFFFAOYSA-N 371.455 2.880 0 50 FFAA CC(C)Cn1cncc1CNc1nccc(-c2cc(C(=O)O)ccn2)n1 72411861 MMFPHPMAZKRYIB-UHFFFAOYSA-N 352.398 2.701 0 50 FFAA COc1ccc(-n2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)n2)cc1 237446695 SUWQTTWPQCYDOG-BVGQSLNGSA-N 369.421 2.739 0 50 FFAA O=C(c1ccccc1[C@H]1CCNC1)N1CCC(O)(Cc2ccccc2)CC1 72168529 IRMYSCVNUVEMEL-IBGZPJMESA-N 364.489 2.973 0 50 FFAA COCc1ncsc1C(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 375178979 FDEACYJKQUTSPC-AWEZNQCLSA-N 371.462 2.855 0 50 FFAA COc1cccc(-n2cc(CN[C@@H]3CCOC4(CCOCC4)C3)cn2)c1 77355847 OQMVKAXLAICTSL-QGZVFWFLSA-N 357.454 2.699 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)CN1CC1CC1 77323680 BWTZYIKCAZSPHY-OAQYLSRUSA-N 370.497 2.543 0 50 FFAA CCc1nc(C)sc1C(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 77321785 NIYAIIBMKQUSAB-UHFFFAOYSA-N 373.478 2.621 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@H](C)CN3C[C@@H](C)C[C@@H](C)C3)CC2)n1 130989288 XZDGDQVEGZGGOB-QLFBSQMISA-N 363.506 2.633 0 50 FFAA O=c1oc2ccccc2n1C[C@H]1c2nc[nH]c2CCN1Cc1ccccn1 72430613 YXHYFBCIGZNZMT-KRWDZBQOSA-N 361.405 2.512 0 50 FFAA CCNc1ncc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 176995903 AKFNSHVGDPMRMK-UHFFFAOYSA-N 358.467 2.610 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21 179321538 FUJRKPHFQJPPJN-ZCNNSNEGSA-N 369.486 2.968 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2=O)cc1 82097893 YEBWWQDOAAEPAF-UHFFFAOYSA-N 374.444 2.729 0 50 FFAA Fc1cccc(F)c1-c1nc(CN[C@H]2CCOC3(CCOCC3)C2)no1 82106760 FZRNZOYXXNLLOX-LBPRGKRZSA-N 365.380 2.833 0 50 FFAA CC1(C)Cc2cc(CNC(=O)N3CCC4(CC3)OCCC[C@H]4O)ccc2O1 426627835 SBIFOCGBIRLKHL-GOSISDBHSA-N 374.481 2.616 0 50 FFAA COc1ccc(CCC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)cc1 82097106 AAWFTKPYHQJRKD-SFHVURJKSA-N 373.541 2.502 0 50 FFAA Cc1ccc(N2CCN(C(=O)Cn3c(C)nc4ccccc43)CC2=O)cc1 82161674 ZMZWFSKDXLNDMJ-UHFFFAOYSA-N 362.433 2.529 0 50 FFAA O=C1COc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)ccc2N1 96133682 IFOGBJXZYCFNNO-OAHLLOKOSA-N 370.409 2.569 0 50 FFAA Cc1nc(CN2CCN(C(=O)[C@H](c3ccccc3C)N(C)C)CC2)cs1 95353320 LFHBYSFDNIKYOZ-IBGZPJMESA-N 372.538 2.707 0 50 FFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2cnn(C)c2C)cc1 426613601 IMTSNBPZLJWIGA-LJQANCHMSA-N 372.469 2.628 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCc2cncn2CC(C)C)c(C)c1 96152750 LCNSALOHFAGLHP-UHFFFAOYSA-N 357.458 2.919 0 50 FFAA Cc1cnc(CCNC(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)s1 162434616 JEBPECBOAOTUHJ-UHFFFAOYSA-N 372.454 2.932 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCCCc3ccccn3)CC2)c1 95387300 XGJJDYJZIJPXKR-UHFFFAOYSA-N 366.509 2.651 0 50 FFAA CC[C@H](C(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91289328 KIJWHMZTZQJFHY-IBGZPJMESA-N 372.509 2.794 0 50 FFAA O=C1NC2(CCN(Cc3nnc(C4CC4)o3)CC2)C[C@H]1c1ccccc1 95376959 SYJPXAKYSAGASL-INIZCTEOSA-N 352.438 2.585 0 50 FFAA Cc1nnnn1CC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95501068 IAVMKGZHSUWYGV-UHFFFAOYSA-N 361.449 2.590 0 50 FFAA COc1ccc2oc(CNC(=O)[C@H](c3ccccc3F)N(C)C)nc2c1 91269593 WCVVPHZUFFKTLX-SFHVURJKSA-N 357.385 2.895 0 50 FFAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(CCC(F)(F)C(F)F)C2 91793249 SLFTXJNJTRSKCU-TZMCWYRMSA-N 359.367 2.909 0 50 FFAA CCOC(=O)CCNC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 91468639 JABMBKHMEJNZIF-QGZVFWFLSA-N 368.437 2.773 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(C)cc1)CC2 91757422 LXAKNOYWKTUWAQ-UHFFFAOYSA-N 372.509 2.805 0 50 FFAA COc1cc(C)cc(OC)c1[C@H](C(=O)O)N1CCC(N2CCCC2)CC1 95379300 PICFHICDPCRAEF-LJQANCHMSA-N 362.470 2.698 0 50 FFAA Cc1cc(C)n(CCn2cc(-c3ccc4c(c3)CC(C)(C)O4)nn2)c(=O)n1 91695527 IQBRBGPDVURYBA-UHFFFAOYSA-N 365.437 2.532 0 50 FFAA CC(C)c1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)nc2ncnn12 95367953 RHAAFFWDSZNZOK-CQSZACIVSA-N 365.437 2.619 0 50 FFAA COc1cc(COC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc(OC)c1OC 247868633 JWZWSTLHLYUEGT-BFYDXBDKSA-N 367.486 2.853 0 50 FFAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccc(Br)cc1)[C@@H]42)[C@H]3O 244882437 XRPYAYHSAWCBAV-NLCRBZRQSA-N 364.239 2.544 0 50 FFAA Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC[C@@H](n2cccn2)C1 291343628 WRWMUCMNNVVORG-SMDDNHRTSA-N 369.391 2.836 0 50 FFAA CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(CO)cc2CO)c1 299758132 CXZNTJCBYHYBEU-FQEVSTJZSA-N 368.477 2.552 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)CCc3n[nH]c(C)c3C)n2)cc1 299785297 XEKHBWRRRUNMQN-UHFFFAOYSA-N 353.426 2.676 0 50 FFAA COCCOc1ccccc1NC(=O)NC[C@@H]1Cc2ccccc2CN1C 299789034 VCDRJZJEWPPXAB-SFHVURJKSA-N 369.465 2.890 0 50 FFAA O=C([C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12)N(CCO)Cc1nccs1 299777322 DRUOCMPXGNSGMF-KSZLIROESA-N 371.506 2.690 0 50 FFAA NCCCOc1ccc(C(=O)N2Cc3ccccc3[C@H](O)C2)cc1Cl 299798875 SUBBRDSGEASUJS-QGZVFWFLSA-N 360.841 2.757 0 50 FFAA FC(F)(F)c1cccc2c1OCCN2Cc1cn(C[C@H]2CCOC2)nn1 864097010 IGLUBDBKEDZXIZ-GFCCVEGCSA-N 368.359 2.732 0 50 FFAA CCC(=O)N1CCC2(CC1)CN(C(=O)c1ccccc1SC)CCO2 822529536 JGRZQAWVFJDLRM-UHFFFAOYSA-N 362.495 2.652 0 50 FFAA CC(C)C(=O)N1CCC[C@@H](NC(=O)N2CCC(c3cccc(O)c3)CC2)C1 584897310 JXRHRGCMCKUHBO-GOSISDBHSA-N 373.497 2.928 0 50 FFAA Cc1cc(-c2ccc(C(=O)NCCCc3c(C)n[nH]c3C)cc2)c(O)nn1 584894576 YFBHSVFJYTWISL-UHFFFAOYSA-N 365.437 2.860 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2cnc3c(c2)CCCC3)c1C 824424360 NMJMNUCAFNODPX-UHFFFAOYSA-N 367.449 2.897 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)NCCc1cn2ccsc2n1 670463594 DEKVGGGKBBLTJG-UHFFFAOYSA-N 367.434 2.737 0 50 FFAA O=C(NCc1noc(-c2ccccc2F)n1)N1CC[C@H]1[C@H]1CCCOC1 1875278395 VMKIKIKIAWUZLS-WFASDCNBSA-N 360.389 2.586 0 50 FFAA Cc1ncccc1-n1nc(Cn2nccn2)nc1-c1cccc2cccn12 1875347678 CDMRZCXDCJLQHB-UHFFFAOYSA-N 356.393 2.530 0 50 FFAA Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)cc(Cl)nc1Cl 1875369418 MXHWMTVYKKGJRE-GXSJLCMTSA-N 356.253 2.637 0 50 FFAA C[C@@H]1CC[C@@H](C(=O)NC2CCC3(CC2)CCN(C(=O)c2cnc[nH]2)C3)C1 1875408516 YHSMFZIZILTZSY-SSWGIJEZSA-N 358.486 2.737 0 50 FFAA C[C@@H]1CC[C@H](C(=O)NC2CCC3(CC2)CCN(C(=O)c2cnc[nH]2)C3)C1 1875408513 YHSMFZIZILTZSY-DUYRZMBNSA-N 358.486 2.737 0 50 FFAA Cc1noc(-c2cccnc2NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)n1 886074501 GDAOBCYOFBKUMD-XJKSGUPXSA-N 354.414 2.753 0 50 FFAA Cc1ncc([C@H](C)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1 170601054 KLINBRMEYNYOFM-HNNXBMFYSA-N 370.522 2.719 0 50 FFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 170640419 JVHRBPARPKDHIS-MFKMUULPSA-N 372.494 2.831 0 50 FFAA CSCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 188156214 KIHCUAOZBBHIRB-SFHVURJKSA-N 361.511 2.865 0 50 FFAA Cc1ccc(-c2ocnc2C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 188636251 SZCUAWGFAXFRGL-OAHLLOKOSA-N 357.454 2.567 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)c3cccc(C(C)C)c3)CCO2)cn1 189227797 YQUBDNLPFCWHCE-SFHVURJKSA-N 363.483 2.789 0 50 FFAA COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCc2cc(F)cc(C)c2C1 407953330 AYOKCMAFKBIUEN-WBVHZDCISA-N 369.458 2.554 0 50 FFAA O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CC(O)(c2ccc(F)cc2)C1 225852997 VAHPPKJHOFUPAW-MRXNPFEDSA-N 372.396 2.729 0 50 FFAA Cc1ccc(C)c(-n2ncc(C(=O)NCc3nnc(C4CC4)o3)c2C)c1 194008256 ISZNPXKXNHIAJA-UHFFFAOYSA-N 351.410 2.988 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(C[C@H]3CCCN3)C3CC3)n2)n1 194841850 WZMKXXQBQNDGGA-CQSZACIVSA-N 373.888 2.894 0 50 FFAA C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(CC4CCCC4)o3)ccc2O1 194901616 UXWIIWNZBTYLNX-LLVKDONJSA-N 363.439 2.927 0 50 FFAA O=C(Cn1nc2ccccc2n1)N1CCC2(CC1)OCCc1sccc12 1704326263 ZRVCMIQZDQIANS-UHFFFAOYSA-N 368.462 2.583 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(Cc2ccon2)C1 12307144 LQAUBIMSZFRXBD-OAHLLOKOSA-N 351.410 2.915 0 50 FFAA CCOC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2F)C1 12307235 SMWUIZIGKURRQJ-CYBMUJFWSA-N 361.417 3.000 0 50 FFAA Cc1cccnc1CNC(=O)c1cc(CN(C)Cc2ccccc2)on1 12448041 VBILMTUGOQWCCH-UHFFFAOYSA-N 350.422 2.940 0 50 FFAA CSC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 14742702 CURZHPQEBOISAR-HNNXBMFYSA-N 361.511 2.667 0 50 FFAA O=C(CSc1nccc(=O)[nH]1)Nc1ccc(Br)c(Cl)c1 18157250 XMYWIFPKAIQHDX-UHFFFAOYSA-N 374.647 2.917 0 50 FFAA COc1ccccc1-n1cc(Cn2ccnc2-c2cnn3cccnc23)cn1 1857689605 HUFVLNUNOBKFHW-UHFFFAOYSA-N 371.404 2.835 0 50 FFAA CC[C@@]12COC(=O)N1CCN(Cc1nc(-c3ccccc3Cl)no1)C2 1857690958 WLFKVSDQAUVTDT-QGZVFWFLSA-N 362.817 2.807 0 50 FFAA O=C(NC1CCNCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857696770 CAYCXTBZXZYUSQ-GFCCVEGCSA-N 362.861 2.566 0 50 FFAA Cn1nc(C(F)F)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857700082 LYMCCTBMDRPNQL-UHFFFAOYSA-N 371.391 2.989 0 50 FFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3C[C@@H]4CC(=O)N[C@@H]4C3)c2c1 1857709817 SRAOLLSKNJBKDA-MGPUTAFESA-N 372.428 2.566 0 50 FFAA COc1cc(C)c(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)cc1C 1857721602 XQWMHDKXTJJWDF-SQNIBIBYSA-N 371.481 2.572 0 50 FFAA O=C(C[C@H]1CCCN(c2nc3ncccc3o2)C1)NCCc1cccnc1 1857729275 CPIISLURMBMNBL-MRXNPFEDSA-N 365.437 2.583 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)Nc3cc(F)ccc3F)C[C@]23CC[C@H]1O3 1857732214 HUNIAENESQNLDA-TVFIUFHYSA-N 351.397 2.538 0 50 FFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC=C(C)C)C[C@]34CC[C@H]2O4)cc1 1875250583 ODHQRTCVZMHFKY-GPQLQYNLSA-N 370.493 2.871 0 50 FFAA COc1ccc(C(=O)N2CCC(N(C)C(C)=O)CC2)cc1-c1ccccn1 121989336 DFPCTLNLMZLUAM-UHFFFAOYSA-N 367.449 2.840 0 50 FFAA C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCc3[nH]ncc3C2)CC1 126153528 KXGXZBGADIMKTM-BEFAXECRSA-N 367.497 2.792 0 50 FFAA CCc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1-c1ccccc1Cl 136503548 FZTJDHHSXJFJIJ-CYBMUJFWSA-N 362.817 2.562 0 50 FFAA CCOc1ccc(CN(Cc2nccn2C)[C@H]2CC23CCNCC3)cc1 261767947 GKFVWMQYYFTSAN-IBGZPJMESA-N 354.498 2.963 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1F)N1CCN2CCCC[C@@H]2C1 160447291 CXFXDZNAJZZBAP-MRXNPFEDSA-N 357.433 2.773 0 50 FFAA COc1ccc(Cl)cc1CC(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O 266022548 XFEFJPJZICRDFO-GOEBONIOSA-N 373.902 2.705 0 50 FFAA COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 266022554 XFEFJPJZICRDFO-ZBFHGGJFSA-N 373.902 2.705 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cn2)C[C@@H](C)O1 836717991 SDOOZYPGDZDFLE-BETUJISGSA-N 355.394 2.646 0 50 FFAA O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[C@H]1CCCn2nccc21 2325754187 LUFAOHPKIJYCAZ-CJNGLKHVSA-N 372.856 2.583 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)N(C)Cc2cnc(N(C)C)nc2)C3)cc1 2325808793 YWKKGHSZOJUGJD-GHTZIAJQSA-N 365.481 2.676 0 50 FFAA CC(=O)NC[C@]12CCC[C@@H]1CCN2C(=O)c1ccc(-c2ccccn2)o1 2325849369 NCZGSWUNGJAYBT-FOIQADDNSA-N 353.422 2.863 0 50 FFAA CC[C@@H](C)CC(=O)NC[C@@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867168 NDLTVQWPQPTIOA-VUCRHFMTSA-N 351.535 2.554 0 50 FFAA N[C@@H]1CCCN(Cc2cn(Cc3ccc(-c4ccsc4)cc3)nn2)C1 887447158 UZDWMLQUUATPIJ-GOSISDBHSA-N 353.495 2.978 0 50 FFAA COc1cccc(C(=O)NCC(C)(C)CNC(=O)c2cccc(OC)c2)c1 2748361 WIWYPYWCFPNTGW-UHFFFAOYSA-N 370.449 2.890 0 50 FFAA CCCCCc1ccc(S(=O)(=O)N2C[C@H]3COC[C@@]3(COC)C2)cc1 2356163549 IJJMURGCAQTCLC-HKUYNNGSSA-N 367.511 2.703 0 50 FFAA O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1ccc(F)cc1F 112337116 WVTSXPNUKHWXDJ-KRWDZBQOSA-N 358.392 2.921 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 101278897 HRVUUKZCSCDEOB-ONIAQPFYSA-N 374.868 2.507 0 50 FFAA COc1cccc(-c2noc(-c3ccc(N4CCOCC4)nc3)n2)c1OC 20776043 ZVWZQEMGVVVNKX-UHFFFAOYSA-N 368.393 2.652 0 50 FFAA CCN(CCCN1CCOCC1)[C@@H](C(=O)O)c1ccc(OC(C)C)cc1 55358076 KSUJCXLPZIBZEP-LJQANCHMSA-N 364.486 2.644 0 50 FFAA CCc1cccc(NC(=O)CCN2CCN(CC3CCN(C)CC3)CC2)c1 65525976 XSGRQIPARAZTCM-UHFFFAOYSA-N 372.557 2.537 0 50 FFAA O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1nncs1 61720654 OZWXEQAKRXGRCJ-UHFFFAOYSA-N 363.402 2.554 0 50 FFAA COc1ccc(CNc2c(C(=O)O)c(=O)[nH]c3ccccc23)cc1OC 170624646 XNYSRLPEQNMCBC-UHFFFAOYSA-N 354.362 2.856 0 50 FFAA Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(Cc2c[nH]cn2)CCO3)n1 67866942 GHOKHBPEBFWGQC-UHFFFAOYSA-N 351.410 2.584 0 50 FFAA COc1cccc(C(=O)NCC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 173394652 ZDJMIIGAOQCOJR-KRWDZBQOSA-N 352.434 2.516 0 50 FFAA Cc1cc(C)n2ncc(CN3CCc4[nH]cnc4[C@@H]3c3cccc(O)c3)c2n1 67447019 XYPLMLMVIHPQKI-FQEVSTJZSA-N 374.448 2.923 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)no1 65371216 ZPXQGXBLLTZIJB-UHFFFAOYSA-N 371.437 2.560 0 50 FFAA COCc1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 252493962 NHKNZGUEHMWHTG-UHFFFAOYSA-N 371.412 2.962 0 50 FFAA Cc1cccc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)c1 67967710 VKWXBTHBMBBTAZ-UHFFFAOYSA-N 365.477 2.994 0 50 FFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1c(-c2ccccc2)nc2ccccn12 120568761 OUGASHJEYYBWIE-CQSZACIVSA-N 369.446 2.765 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N3CCCC3)CC2)ccc1-n1cncn1 173861484 GTKJEUGAGQTUQQ-SFHVURJKSA-N 353.470 2.666 0 50 FFAA C[C@H](C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1ncccc1F 253419672 ASLUCAFGQMNPLD-ZDUSSCGKSA-N 351.385 2.625 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1F 363129224 DBWSXMNRIPRLTH-KGLIPLIRSA-N 360.433 2.903 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)nc(C)n1 328629095 HXVZMHKVYXKICV-MRXNPFEDSA-N 368.485 2.661 0 50 FFAA O=C1C[C@H](NCc2cccc3c2OCO3)CN1CCCc1ccccc1 11663029 ZHXWFLBQMLNOEV-SFHVURJKSA-N 352.434 2.739 0 50 FFAA CC(=O)c1ccc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)cc1 36353571 LOIXYEINNXVWON-UHFFFAOYSA-N 373.294 2.650 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2C[C@H]2CCC3(CCCCC3)O2)n1 329837592 MYMKEUSHPPVESF-HZPDHXFCSA-N 374.485 2.981 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2C[C@@H]2CCC3(CCCCC3)O2)n1 329837591 MYMKEUSHPPVESF-HOTGVXAUSA-N 374.485 2.981 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(Cc2c[nH]nc2-c2cccnc2)C1 370728939 FSSWVRHJLFEWIA-KRWDZBQOSA-N 353.426 2.868 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CC1CCS(=O)(=O)CC1 72475436 XICHLWYFNNEZFT-UHFFFAOYSA-N 362.451 2.515 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(-c2ccc(C)cc2)on1 219263053 WQUBYJDQMUPGLG-MRXNPFEDSA-N 357.410 2.887 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCNC[C@H]1c1cccc(F)c1 262047424 UQQJWXJRUVXSRB-IBGZPJMESA-N 369.440 2.982 0 50 FFAA Cc1ccc(NCCCNC(=O)CN2CC[C@@H](c3ccccc3)C2)nc1 219918794 YWNXMVULBFIVMZ-LJQANCHMSA-N 352.482 2.798 0 50 FFAA Cn1ncc2c(NCc3ccc(-n4cncn4)cc3)nc(C(C)(C)C)nc21 72133579 HUZIVWNEKSKGEE-UHFFFAOYSA-N 362.441 2.854 0 50 FFAA O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CCn2ccnc2C1 332701002 BTWPLPMAOCJDHP-DNVCBOLYSA-N 359.857 2.617 0 50 FFAA COCc1ccc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)o1 77319684 JMZXBGFSEVKJLP-UHFFFAOYSA-N 354.450 2.741 0 50 FFAA COc1cccc(C(=O)NCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 158978664 QAROPJJFLVXWSM-KRWDZBQOSA-N 368.433 2.844 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1cccc([C@@H]3CCNC3)c1)CC2 72152165 POZXIOYYYYUNIT-GOSISDBHSA-N 366.461 2.979 0 50 FFAA O=C1N[C@@H]2CCCC[C@H]2C[C@H]1S(=O)(=O)C1CCC(C(F)(F)F)CC1 333812473 IHWDJOFAKVHJGM-YOMYCBHVSA-N 367.433 2.970 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cc(C)nn3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72144345 RSHVTVMSBXRNQE-CEWLAPEOSA-N 364.493 2.739 0 50 FFAA COc1ccc(CN2CC[C@@H](n3nc(C)cc3C)C2)cc1Cn1cncn1 72128472 IKFXVVPAVWPWJG-LJQANCHMSA-N 366.469 2.595 0 50 FFAA CCc1nccn1CCC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 77298421 TZRMUPINQJYQFM-UHFFFAOYSA-N 366.509 2.537 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1CCCO[C@@H](Cn2cccn2)C1 215974852 MCWRTWPHRKRLRY-MRXNPFEDSA-N 363.845 2.541 0 50 FFAA O=C(NCc1c(F)cccc1N1CCCC1)N1CCC[C@H](n2cncn2)C1 287888964 GTBAZOVTRKSTER-HNNXBMFYSA-N 372.448 2.564 0 50 FFAA Cc1ccccc1Cn1cc(-c2nc(CC3CCN(C)CC3)no2)nn1 72157033 IFDWPVCOTGUQAW-UHFFFAOYSA-N 352.442 2.569 0 50 FFAA COc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)c(C)c1C 221427952 ZPSHQAHHNLRPDF-FQEVSTJZSA-N 372.513 2.509 0 50 FFAA CCCc1cc(C(=O)NC[C@H](O)COc2ccc(Cl)c(C)c2)no1 82136737 VNKUJVLTNOFTMI-LBPRGKRZSA-N 352.818 2.759 0 50 FFAA COc1ccccc1N1CCN(C(=O)CC[C@H](C)N2CCCCC2)CC1=O 426545014 IWNMOJYOEPRYNI-KRWDZBQOSA-N 373.497 2.525 0 50 FFAA O=C(N[C@@H]1CCCNC1=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 426624777 OBKJZQXNOIYNJU-MRXNPFEDSA-N 360.360 2.963 0 50 FFAA Cn1ccnc1-c1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 426535748 XPXCCELMAAZUQD-HNNXBMFYSA-N 366.465 2.608 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCCCn1nccc1C1CC1)CO2 91321268 MSKGZSHBTJMKBI-MRXNPFEDSA-N 355.438 2.527 0 50 FFAA CC(C)=CCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccncc1)CC2 97655532 RGHRJFSCJWDJBO-UHFFFAOYSA-N 365.481 2.761 0 50 FFAA Cc1ccc(CCNC(=O)NC[C@H](O)COc2ccc(Cl)c(C)c2)o1 426541515 QKLMGQIEYPOTMK-AWEZNQCLSA-N 366.845 2.831 0 50 FFAA CCn1ncc(C(=O)N(Cc2ccncc2)C[C@@H](O)c2ccccc2)c1C 97272342 IASLYJQLJZIUJL-HXUWFJFHSA-N 364.449 2.982 0 50 FFAA Cc1cccc(OCC(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 91625742 XSBJVRAVTOHPBG-NRFANRHFSA-N 356.466 2.625 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3cc(-c4ccc(C)s4)[nH]n3)C[C@@H]2N)o1 91713898 RQAYLOQTHUYZKT-STQMWFEESA-N 356.451 2.915 0 50 FFAA COc1cc(CC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1O 296047486 FNOFESWQHAEORD-INIZCTEOSA-N 369.465 2.882 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCc3ccccc3C1)CC2 91997787 JGOORBFCHLTXFU-GOSISDBHSA-N 364.493 2.520 0 50 FFAA Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)C2CCCC2)CC3)cn1 91725267 CJMSSHLHYBWURX-UHFFFAOYSA-N 370.497 2.706 0 50 FFAA N[C@H]1CN(c2ccc(C(=O)N3CCCCC3)cn2)C[C@@H]1c1ccccc1 95363426 CUUYLGGFRJKYFL-MOPGFXCFSA-N 350.466 2.639 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(C(=O)c2cnco2)C1 95501448 YAGGGUQSFWZJCY-AWEZNQCLSA-N 365.393 2.556 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3nnc(C4CC4)s3)C2)n1 244873259 WMRYCFLWBGTESH-CQSZACIVSA-N 360.487 2.504 0 50 FFAA CC[C@@H](C)CS(=O)(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 182387934 XNEGNULDXBCCKK-NEPJUHHUSA-N 353.410 2.915 0 50 FFAA O=C(c1ccc(SCCO)cc1)N1CCCN(Cc2cccnc2)CC1 244748732 ONGJXPCQBBEARN-UHFFFAOYSA-N 371.506 2.514 0 50 FFAA CNc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)ccn1 244795383 RFLIJQJUXGPHEA-OXFYSEKESA-N 362.433 2.914 0 50 FFAA COc1ccccc1-c1cc(CNC(=O)CCN2C[C@@H]3CC[C@H]2C3)on1 244707891 KJOOWOIZPKFOCP-CABCVRRESA-N 355.438 2.841 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)Cn2ccc3ccccc32)n1 244659412 HCERHFMCWIYMGS-QGZVFWFLSA-N 368.437 2.967 0 50 FFAA O=C(NCCn1cccn1)N1CCc2c(Br)ccc(F)c2C1 183685631 QSYFIQLWAWMOIR-UHFFFAOYSA-N 367.222 2.553 0 50 FFAA CN(C)Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 299245249 ZAAKLUAJYRSZPD-HXUWFJFHSA-N 365.477 2.920 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)NCC1(Cn2cccn2)CC1 534589500 RTDAHGLEGYAQRY-UHFFFAOYSA-N 364.453 2.691 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3cc(C)c(C)nc3O)cc2)C1 534634915 NBXOATDIALKQAK-SFHVURJKSA-N 367.449 2.812 0 50 FFAA C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)c1nc2ccccc2n1C 534655564 NMLFOTFHXCQTSZ-HNNXBMFYSA-N 364.453 2.561 0 50 FFAA CC(C)Oc1cccc(-c2ccc(C(=O)N3CCOC[C@@H]3CO)cc2)c1 299784875 PREZEENAPBNEHQ-IBGZPJMESA-N 355.434 2.974 0 50 FFAA Cc1nc(CN2CCC(CNC(=O)[C@H]3CC34CCCC4)CC2)n(C)c1C 827701560 KQAQVNQEWMHUDW-GOSISDBHSA-N 358.530 2.945 0 50 FFAA O=C1NCCCN(C(=O)c2ccc3scnc3c2)[C@H]1c1ccccc1 1875332225 NZRSUPBMNAJFQA-KRWDZBQOSA-N 351.431 3.000 0 50 FFAA Cc1cc(C(=O)N[C@H](CC2CC(F)(F)C2)C(=O)O)c2c(n1)CCCC2 1875354592 KAITWJUOKTYBFQ-OAHLLOKOSA-N 352.381 2.887 0 50 FFAA C[C@H](O)C[C@@H](CNC(=O)c1ccc2[nH]nc(C(=O)O)c2c1)c1ccccc1 1875300003 GYFWVFJIAHKKFG-WFASDCNBSA-N 367.405 2.546 0 50 FFAA Cc1cc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)c2c(C)nn(C)c2n1 952966734 WRCAOFPZZDXBLZ-LLVKDONJSA-N 364.409 2.767 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCC(Oc2ccncc2)CC1 952972726 GMOHBRDWWPIHEW-UHFFFAOYSA-N 367.449 2.602 0 50 FFAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c1 952970206 QTIZMLONLDFKRA-UHFFFAOYSA-N 366.381 2.839 0 50 FFAA COc1ccc2oc(CN3CCC[C@](O)(Cc4nc(C)no4)C3)cc2c1 888076297 VHVZXDHVODTZMC-IBGZPJMESA-N 357.410 2.702 0 50 FFAA CN(C(=O)CN1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2)c1ccccc1 1565510971 LMAUVRBBWAYCSB-APWZRJJASA-N 370.522 2.702 0 50 FFAA Cc1ccnc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)n1 278561168 BMXCFAWDHBGBRP-AWEZNQCLSA-N 367.384 2.994 0 50 FFAA C[C@@H]1C(=O)Nc2cccnc2N1S(=O)(=O)c1ccc(C(C)(C)C)s1 186644852 YQZRKSFWNOJWOE-SNVBAGLBSA-N 365.480 2.977 0 50 FFAA COc1cccc(C2(C(=O)NCCn3c(C)nnc3S)CCCC2)c1 170641394 MYDZQIJUTZFSQP-UHFFFAOYSA-N 360.483 2.512 0 50 FFAA Cc1nc2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)cn2n1 280762835 MDMVGHMLWOAFJJ-KRWDZBQOSA-N 352.394 2.848 0 50 FFAA CNC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cn3)CC2)c1 194102291 RTHXIIGIHSFZLD-UHFFFAOYSA-N 352.438 2.605 0 50 FFAA Cc1c(CNC(=O)c2cccc(-n3cnnn3)c2)oc2ccc(F)cc12 194301606 SVMQOALRDWTTNN-UHFFFAOYSA-N 351.341 2.786 0 50 FFAA COc1cc(Cl)cc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1OC 1529159384 PNEXFFUPHFJMMX-PBHICJAKSA-N 362.857 2.788 0 50 FFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704278276 MILFQJKGYIEDDM-DNVCBOLYSA-N 363.417 2.776 0 50 FFAA Cn1cc(Cl)c(C(=O)N2CCC3(CC2)OCCc2sccc23)n1 1704300600 ZDYNKSHZXSEIJU-UHFFFAOYSA-N 351.859 2.839 0 50 FFAA CN(Cc1ccon1)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772807397 USSDZYNOCNRIBO-CYBMUJFWSA-N 354.435 2.957 0 50 FFAA O=C(CC[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1)N1CCOCC1 12027686 BLEYHDISPMPBOP-HNNXBMFYSA-N 374.510 2.542 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)n[nH]1 12200559 XTWKKJGKCZJJFJ-NRFANRHFSA-N 352.482 2.889 0 50 FFAA CC[C@@H](C(=O)Nc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O 13711113 MGCKSNKIUDFBCK-INIZCTEOSA-N 362.451 2.879 0 50 FFAA COC(=O)c1ccc(CN2CCO[C@@H](Cc3ccc(OC)cc3)C2)cc1 14948200 ZLBZELUOIXQHIM-FQEVSTJZSA-N 355.434 2.925 0 50 FFAA CC(C)C(=O)NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 15003579 SHBMPVLDOJGUFM-MRXNPFEDSA-N 374.510 2.870 0 50 FFAA COc1ccc(CCN2C[C@H](NC3Cc4ccccc4C3)CC2=O)cc1 15065022 AEDUCDNMCQDJOA-HXUWFJFHSA-N 350.462 2.596 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)Cc3ccon3)nc2)n1 15068594 MTMCVKXSNVTDRW-UHFFFAOYSA-N 357.439 2.655 0 50 FFAA CCCc1cc(=O)n2nc(COC)c(-c3ccc(OC)c(OC)c3)c2[nH]1 16661400 UPCLMYPDQGQYMR-UHFFFAOYSA-N 357.410 2.806 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCc2[nH]nc(C3CC3)c2CC1 1857682436 PSWGXNBOBAONOZ-UHFFFAOYSA-N 353.422 2.576 0 50 FFAA CN1CCCCC[C@H]1C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857682763 RRINPAQTHOFNPV-FQEVSTJZSA-N 366.509 2.889 0 50 FFAA O=C(c1ccc(Cl)cn1)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1875239808 ZHORKTJNHLMGRA-HOTGVXAUSA-N 367.232 2.963 0 50 FFAA CCN(C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@H](C)c1cccnc1 115675695 GTXBRNMBCVZBBJ-QGZVFWFLSA-N 373.545 2.733 0 50 FFAA O=C1Cc2cc(CCCC(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)ccc2N1 237966807 ZKQFHPKTPBHBIV-WBAXXEDZSA-N 370.449 2.748 0 50 FFAA Cn1cc(CCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c2ccccc21 151975625 BDQZQTTVMFMBQL-FQEVSTJZSA-N 361.445 2.550 0 50 FFAA Cc1noc([C@H]2COCCN2C(=O)COc2ccccc2C(C)(C)C)n1 155369063 MXZWYJFMSPSGSW-OAHLLOKOSA-N 359.426 2.654 0 50 FFAA C[C@@]1(O)CCOC2(CCN(Cc3cccc(Cl)c3Cl)CC2)[C@H]1O 1704337730 YTAZFTBCDJGMNP-JKSUJKDBSA-N 360.281 2.860 0 50 FFAA C[C@@H](NCc1nc(C2CC2)nn1C)c1cc(F)ccc1N1CCC(O)CC1 828155721 RLFCSXVNLQLHPO-CYBMUJFWSA-N 373.476 2.644 0 50 FFAA COc1c(S(=O)(=O)NCCCn2ccnc2)ccc(Cl)c1Cl 4908560 SGOMVJCEAZLRNB-UHFFFAOYSA-N 364.254 2.567 0 50 FFAA CC(C)(C)c1nnc2ccc(N3CCC[C@H](Cc4ccc(=N)[nH]c4)C3)nn12 2325790760 IIQJFFNYRIERPE-OAHLLOKOSA-N 365.485 2.688 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cc(CO)cc(CO)c3)cc2)c1C 2325824654 LNGNZXJRPQCGHY-UHFFFAOYSA-N 351.406 2.726 0 50 FFAA Cc1cccc(C)c1NC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 858075 AATKICJGJTXIHV-DOTOQJQBSA-N 354.406 2.876 0 50 FFAA COc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 1219198 IELJVBYLJPZZCD-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)NCC2 2099771 UGOVBXCSQHMXPG-LJQANCHMSA-N 359.422 2.965 0 50 FFAA biogenic CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cnccn1 2395564 GUUCUNPPWRANMU-UHFFFAOYSA-N 358.402 2.625 0 50 FFAA O=C(c1ccncc1)N1CCC[C@]12CCCN(CCc1ccccc1)C2=O 2356136185 JTWRQPGKSMEVOK-QFIPXVFZSA-N 363.461 2.922 0 50 FFAA Oc1cc(F)c(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1Cl 2356141883 UMBCDFYVWCMNRT-UHFFFAOYSA-N 362.792 2.856 0 50 FFAA Cc1nn(Cc2nnc3n2[C@H](C)C(=O)N(Cc2ccccc2)C3)c(C)c1C 2356146924 AHFFRRJGCRIXIN-MRXNPFEDSA-N 364.453 2.552 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1cc(F)ccc1C(F)(F)F 2356157314 FLDLMHHVLTVUBF-QGZVFWFLSA-N 374.378 2.794 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)CCc2nc3ccccc3s2)C1=O 2356167769 BGDLMTPOOSOLTE-IBGZPJMESA-N 357.479 2.842 0 50 FFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 100797036 WXARGYIITZDDHS-SQBVFWPVSA-N 368.477 2.591 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)NC1CCN(Cc2ccncc2)CC1 57167001 LAVGOXCUPMSVJO-UHFFFAOYSA-N 367.449 2.524 0 50 FFAA COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2NCC(=O)O)c1 65373002 YMTKBUMSKIDVOT-LBPRGKRZSA-N 358.394 2.691 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 67872625 KBUCCKNTIKQWDS-GHTZIAJQSA-N 355.482 2.801 0 50 FFAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)O1 252482322 DCWBPKHQXKMVAB-QFSBIZTOSA-N 363.845 2.948 0 50 FFAA O=c1n(Cc2cccc(Cl)n2)nc([C@@H]2CCCNC2)n1-c1ccccc1 67804590 CQXJJOXRGSELAU-CQSZACIVSA-N 369.856 2.598 0 50 FFAA COc1c(CN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c(C)nn1C 328631524 KNPWSVPNSLHJCA-LBPRGKRZSA-N 371.407 2.647 0 50 FFAA CCc1cnccc1C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 328627162 MMNFCVLIBSESBU-FXAWDEMLSA-N 369.513 2.923 0 50 FFAA Cc1conc1NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328627242 FXKOLYBDYYYJPF-STQMWFEESA-N 352.435 3.121 0 50 FFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237489243 GDRYTECYSNFNTB-RISCZKNCSA-N 359.344 2.586 0 50 FFAA O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2N1 172713749 WDPGUKBDGGWQIS-UONOGXRCSA-N 350.374 2.547 0 50 FFAA COc1ccc(N(C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cn1 172925622 GWQUGYZGUWLWCF-UHFFFAOYSA-N 353.422 2.605 0 50 FFAA CCOC(=O)Cn1nc(C)n(-c2ccc(Oc3ccccc3)cc2)c1=O 4088908 SRPSBGZWBFCHMC-UHFFFAOYSA-N 353.378 2.698 0 50 FFAA Cc1c(CC(=O)NCc2ccco2)c2c(n1C[C@@H]1CCCO1)CCCC2=O 12716685 LZZBHIQAHABIJY-INIZCTEOSA-N 370.449 2.946 0 50 FFAA C[C@]12CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)C[C@@H]1C2(F)F 333398934 YKXQYNHZSHBETI-JQWIXIFHSA-N 367.320 2.674 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn([C@H]3CCCNC3)nn2)[C@@H]1c1cccc(F)c1 333371786 FRTNCFCPRFGQPL-SKDZVZGDSA-N 357.433 2.565 0 50 FFAA COC[C@@H]1CCCCN1c1nc2nonc2nc1NCc1cccs1 14953584 HPRXKVMZCJLPHU-NSHDSACASA-N 360.443 2.692 0 50 FFAA O=C(CN1CCOc2ccccc2C1)NCc1coc(-c2ccccc2)n1 218085260 FUCHMBWYEDYRIF-UHFFFAOYSA-N 363.417 2.852 0 50 FFAA COc1cccc([C@H](C)N(C)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)c1 215812012 DDSTUYDWOHEUMK-ZDUSSCGKSA-N 367.405 2.585 0 50 FFAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 263245947 UPTRNWMJTOLOMW-UHFFFAOYSA-N 352.394 2.848 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCN(c2ncccn2)CC1 216389450 DRQIBWZPAPVFPP-UHFFFAOYSA-N 359.433 2.809 0 50 FFAA COc1ccc(N2CCN(Cc3ccc4nsnc4c3)[C@H](C)C2=O)cc1 72119518 PBGXPDSIMONNDT-CYBMUJFWSA-N 368.462 2.937 0 50 FFAA Cc1nc2c(c(N3CCC(O)CC3)n1)CCN(C[C@@H]1CC=CCC1)CC2 72453679 VHZCAAJLYFWKPS-QGZVFWFLSA-N 356.514 2.503 0 50 FFAA CCn1c(SCC(=O)OC)nnc1[C@H](C)Oc1ccc(OC)cc1 17072913 HCCSEGQJMVBJKB-NSHDSACASA-N 351.428 2.712 0 50 FFAA C[C@H](Cc1cnccn1)N(C)C(=O)C1(c2ccccc2)CCN(C)CC1 220613626 UVTGEZMJYMPNHU-QGZVFWFLSA-N 352.482 2.530 0 50 FFAA COCCN1Cc2c(-c3ccccc3)nc(N)n2N(Cc2ccccc2)C1 226074345 NHPOWBCBSXJMCO-UHFFFAOYSA-N 363.465 2.690 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1)N1CCC1 82099356 AMQACYITMDLLPX-HXUWFJFHSA-N 355.526 2.638 0 50 FFAA Cc1ccc(F)c(CNC(=O)N2CCN(C3CCCCC3)C(=O)C2)c1F 426623161 DLPZEDZPLQTXPD-UHFFFAOYSA-N 365.424 2.960 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@H]1CC(=O)N(Cc2ccccn2)C1 95521298 DKERZAFIDISMOL-AWEZNQCLSA-N 369.490 2.687 0 50 FFAA COc1ccc2c(c1)OC[C@H](Cc1ccc3ncnc(NCCO)c3c1)C2 95526241 LPJKLOXKKJKMKI-OAHLLOKOSA-N 365.433 2.836 0 50 FFAA COc1ccc(CN(C)Cc2cc(C3CC3)on2)cc1Cn1cncn1 97759319 OPAOBVDAXAXUDX-UHFFFAOYSA-N 353.426 2.832 0 50 FFAA CCN1CC2(CCN(C3CCNCC3)CC2)C[C@H](c2ccccc2)C1=O 91713775 AKCXYBXXIMWXKJ-HXUWFJFHSA-N 355.526 2.857 0 50 FFAA Cc1cccc(N2CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)n1 95511526 KTOQMGXBYHXFRA-GOSISDBHSA-N 351.450 2.680 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3cncn3C3CCCC3)C2)CCC1=O 91986433 JCFBPAZBEACSJI-NRFANRHFSA-N 374.529 2.849 0 50 FFAA COC[C@@H](Nc1nc(C)nc2c1Cc1ccccc1OC2)c1ccnn1C 97402543 YMXAKDLKQBSGTP-QGZVFWFLSA-N 365.437 2.801 0 50 FFAA CN(C)[C@@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(F)cc1 95392381 IEFRMYJKZZHVMM-SFHVURJKSA-N 365.412 2.710 0 50 FFAA Cn1c(CO)nnc1[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 97570943 ORLRUMVKPCCPTF-GFCCVEGCSA-N 355.269 2.994 0 50 FFAA COc1ccc([C@@H](C)N(C)C(=O)c2ccnc(-n3cnnc3)c2)c(OC)c1 97475028 AXVWRNPVSKYAGM-CYBMUJFWSA-N 367.409 2.513 0 50 FFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCCSc2nccn2C)c1 96165852 FPPAGJRCCULUME-CYBMUJFWSA-N 373.482 2.849 0 50 FFAA O=C(C1CCOCC1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91602793 BPAQMVOGCZRFRR-OXJNMPFZSA-N 354.494 2.503 0 50 FFAA Cc1ccc2nc(CCCNC(=O)C[C@@H]3CN(C(C)C)CCO3)oc2c1 97711826 MLJMVSSUSFUEAY-MRXNPFEDSA-N 359.470 2.684 0 50 FFAA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2cc(F)ccc2F)CC1 96149276 IMYGNYPHQJKNOY-UHFFFAOYSA-N 372.423 2.718 0 50 FFAA Cc1ccc(CSc2nc(N)cc(NCCN3CCCOC3=O)n2)cc1 95378730 MTBIPRONUNUPJB-UHFFFAOYSA-N 373.482 2.914 0 50 FFAA Cc1oc(CN(C)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1C(=O)O 268936541 OAUAKNOLNHEKPJ-SNVBAGLBSA-N 374.418 2.991 0 50 FFAA Cc1nc(-c2ccccc2N2CCS(=O)(=O)CC2)n(C2CCCCC2)n1 96153664 SUKCHPYLPFFWLY-UHFFFAOYSA-N 374.510 2.994 0 50 FFAA Cc1cc(C)n(CCNC(=O)Nc2cc(C)c(F)cc2Cl)c(=O)n1 95518904 UQFGDCHPPSUCSK-UHFFFAOYSA-N 352.797 2.783 0 50 FFAA COCC(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 95388519 KSGOZTNRKUQAGP-OAHLLOKOSA-N 374.412 2.587 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccncc2F)CC1 184200743 LCGPRTHJAVWJPE-UHFFFAOYSA-N 356.401 2.955 0 50 FFAA CSCC[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)n1cccc1 263588388 SUGVLEQREDOFLB-LJQANCHMSA-N 372.538 2.958 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCc1noc(C2CCCC2)n1 534588407 ZJNYFPGQWLKVNI-MRXNPFEDSA-N 358.442 2.992 0 50 FFAA CCc1nnc(-c2ccc(OC)c(NC(=O)N3CCC(OC)CC3)c2)o1 299772326 YMAICKCYKPULEH-UHFFFAOYSA-N 360.414 2.950 0 50 FFAA Cc1cc(N2CCCN(C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)ccn1 299797905 TXQFKLDTKMKMMT-LJQANCHMSA-N 364.493 2.955 0 50 FFAA COc1ccccc1C(=O)N1CCCN(Cc2cn3ccccc3n2)CC1 64484622 RZQHWBBJNWSNLM-UHFFFAOYSA-N 364.449 2.691 0 50 FFAA CC(=O)c1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)cc1 299762984 FJFSZBKBLZZWRT-SFHVURJKSA-N 366.421 2.597 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@H]1CCN(c2ccccc2)C1 299794213 JYXBULZIGNLVEM-MRXNPFEDSA-N 352.482 2.864 0 50 FFAA Cc1cc(CC(C)C)nc(N2CC[C@@H](NCCCc3csc(N)n3)C2)n1 821446103 XMZXHZCLPOJYQS-OAHLLOKOSA-N 374.558 2.823 0 50 FFAA C[C@@H](NC(=O)N1CCC2(CCCO2)CC1)c1ccc(S(C)(=O)=O)cc1 584890606 OPAQIXXTUYULGG-CQSZACIVSA-N 366.483 2.506 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)c1cc(C(F)(F)F)ccc1Cl 670453814 SDBNAQRJTVOZCI-GFCCVEGCSA-N 364.795 2.935 0 50 FFAA O=C(NCCCN1CCCC[C@H]1CO)c1ccc(Cn2cccc2)cc1 670444270 DWIORROOTAMQDL-FQEVSTJZSA-N 355.482 2.503 0 50 FFAA C[C@@H]1C[C@H](NC(=O)[C@]23CCCC[C@H]2C3)CCN1C(=O)c1ccncc1F 1875406632 ITLKJTBTADPMHU-ODCFSMADSA-N 359.445 2.910 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](F)C2)CC1)c1cncs1 1875406342 BPSRRZTYRUYQNX-RDBSUJKOSA-N 353.463 2.640 0 50 FFAA CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(F)c3nc(O)ccc3c2)CC1 1875307453 ZISUDFGMWMIMIZ-UHFFFAOYSA-N 373.428 2.799 0 50 FFAA O=C(O)c1cccc(O[C@@H]2CCN(C(=O)c3cc4ncccc4[nH]3)C2)c1 1875331725 ACNJKTLUAJTHNX-CQSZACIVSA-N 351.362 2.555 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CC1 1875383268 MXHSQBDSZLHBAD-MJGOQNOKSA-N 356.466 2.695 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H](O)c1cccc(O)c1 952871841 DRLPJAOHJUCTFV-INIZCTEOSA-N 362.813 2.858 0 50 FFAA Cn1cc(NC(=O)N2CCOC3(CCOCC3)C2)c(-c2ccccc2)n1 272374120 PXSCPFLKDHWGOA-UHFFFAOYSA-N 356.426 2.500 0 50 FFAA Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c(=O)n1C 278660614 FEFNLDBERBDSIK-UHFFFAOYSA-N 374.872 2.980 0 50 FFAA COc1ccc([C@H](C)NC(=O)[C@H]2COCCN2C2CCCC2)cc1F 188461656 BZTGRKOSMMELSI-SUMWQHHRSA-N 350.434 2.655 0 50 FFAA COc1ccc2nc(N3CCC(C(=O)Nc4nncs4)CC3)ccc2c1 194098497 WRAUKERHYQUKSB-UHFFFAOYSA-N 369.450 2.950 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCN4[C@@H](C5CC5)COC[C@H]4C3)oc2c1 1529161760 OOAAYMHJLCJJAS-CRAIPNDOSA-N 370.449 2.685 0 50 FFAA Cc1[nH]c2ccc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)cc2c1C 1704345250 UVNHGTDUJLYFRI-NQIIRXRSSA-N 369.465 2.796 0 50 FFAA O=C(c1cccc(F)c1F)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 213138670 FFKJDCPWPHBDHF-HIFRSBDPSA-N 350.409 2.680 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2ccc(CSc3ccccc3)o2)C[C@@H]1O 216578203 LFYMFPPWCSXXMJ-HKUYNNGSSA-N 361.463 2.920 0 50 FFAA COc1cccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2=O)c1 219941785 WPCITLZDLMGUPT-MOPGFXCFSA-N 350.418 2.674 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)CCN21 1616079345 MWYGQBRRDSAGSG-MSOLQXFVSA-N 362.445 2.500 0 50 FFAA O=C([C@@H]1CC2CCN1CC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1775982682 CQKUWUULZISPFY-KRWDZBQOSA-N 367.415 2.838 0 50 FFAA C/C=C(\C)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 11820879 MTWMKWDMVDXMMJ-NGBSXGCGSA-N 370.541 2.840 0 50 FFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 12193867 GATDLRRQEFWPLR-GOSISDBHSA-N 365.481 2.969 0 50 FFAA CN(Cc1cnccn1)C(=O)c1cn(Cc2cccc3ccccc23)nn1 12200617 MCGYLMCTTWWSHV-UHFFFAOYSA-N 358.405 2.542 0 50 FFAA CSc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCCCC1 12382657 SOAZVHCLUQBNEM-UHFFFAOYSA-N 356.513 2.721 0 50 FFAA CCc1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 12864307 JQQIMUNIHZIMEY-UHFFFAOYSA-N 362.430 2.731 0 50 FFAA CO[C@@H](C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1)c1ccccc1 14882195 GHSWFJVTBPMOKF-HXUWFJFHSA-N 370.424 2.774 0 50 FFAA C=CCN1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccc(C)c1)CC2 14951096 IKKQIQTZIUYMPK-GOSISDBHSA-N 356.466 2.537 0 50 FFAA CSCC[C@H](NC(=O)CCCn1cccc1)c1nnc2ccccn12 158709176 YHWISZRJTRDORI-HNNXBMFYSA-N 357.483 2.922 0 50 FFAA CCc1oc(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1C 328618938 FGJXLFIKLMZISO-GOSISDBHSA-N 370.453 2.754 0 50 FFAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 123249857 MJYDSTYDCNDGTI-GHMZBOCLSA-N 356.797 2.907 0 50 FFAA Cn1cc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c(C(F)(F)F)n1 331827970 XFHHMFLJZCMRRW-ZDUSSCGKSA-N 368.359 2.914 0 50 FFAA CC1(C)Cc2c(Br)cccc2[C@H]1NC(=O)[C@H]1CCC(=O)NC1 332260621 DNKXDGNSLACYHN-ZUZCIYMTSA-N 365.271 2.715 0 50 FFAA CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 237210414 LNNCWGPXLDCJTD-JTQLQIEISA-N 370.824 2.979 0 50 FFAA O=C(O)CN(C(=O)c1csc(-c2ccc(F)cc2)n1)C1CCOCC1 238115701 QKPNVBJQRWTQCG-UHFFFAOYSA-N 364.398 2.655 0 50 FFAA O=C(Nc1ccc2c(c1)CNCC2)N1CCCN(c2cncc(F)c2)CC1 1875266105 KNADOLPGKJMHSH-UHFFFAOYSA-N 369.444 2.611 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)CCCc2ccc(F)cc2)C[C@H]1O 1704335226 BEMQYCWDIUGUER-APWZRJJASA-N 351.418 2.613 0 50 FFAA CN(Cc1ccccc1)CC1CCN(C(=O)c2ccn3ccnc3n2)CC1 2325785001 YQLFLSZXRHFLOA-UHFFFAOYSA-N 363.465 2.714 0 50 FFAA O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H]1Cc1cccc(F)c1F 2325819078 QNOYCORVCAKHEJ-GJZGRUSLSA-N 359.438 2.871 0 50 FFAA O=C(N[C@H](Cc1coc2ccccc12)C(=O)O)c1c(F)ccc2c1OCC2 2325876242 OCGXGHDPMIDTNG-OAHLLOKOSA-N 369.348 2.933 0 50 FFAA CCOC(=O)c1cnn(-c2nc(C)nc3sc4c(c23)CCCC4)c1N 628775 RPLJDVFYJPCEPR-UHFFFAOYSA-N 357.439 2.823 0 50 FFAA COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 754235 JLKKXFLIQLNLAN-CRAIPNDOSA-N 352.390 2.873 0 50 FFAA biogenic,in-vitro Cc1ccc(N2C(=S)N(c3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1135439 RFNSVBYCXKCXKV-IRXDYDNUSA-N 358.488 2.772 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1 2356144065 IIHCJVBSZUFELG-OAQYLSRUSA-N 365.433 2.692 0 50 FFAA CN(C(=O)c1ccc(-c2ccccc2)n1C)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356146531 KAZBFSNNNZLHTH-BBWFWOEESA-N 351.450 2.679 0 50 FFAA C[C@]1(O)CCOC2(CCN(C(=O)CCc3ccc(F)cc3F)CC2)C1 2356156691 MTTHIHSVAVILLY-SFHVURJKSA-N 353.409 2.820 0 50 FFAA C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1c(F)cccc1F 2850946 AHOXOIJPYTXWPE-SECBINFHSA-N 374.796 2.924 0 50 FFAA CCOC(=O)[C@H](C(=O)c1ccncc1)[C@H](C(=O)OCC)c1ccccc1 3130211 MGKGXPHYXFHGHM-SJORKVTESA-N 355.390 2.791 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 6338465 HXIXTXBTHPRSDZ-HUUCEWRRSA-N 374.462 2.737 0 50 FFAA Cc1cc(I)ccc1NC(=O)NC(=O)C(F)(F)F 6700971 YKUCNFMTCTYWRA-UHFFFAOYSA-N 372.084 2.810 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(CN2CCCCC2=O)c1 247434251 VGOHGSLAYDZCTL-ILRDRHFLSA-N 368.433 2.661 0 50 FFAA C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1ccccc1-n1cccn1 55132575 NXQQSXOKZVCOHD-HNNXBMFYSA-N 354.454 2.889 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 248235531 SLFMBCMBAPRCPP-ZHHKINOHSA-N 373.456 2.670 0 50 FFAA Cc1cc(C)n(CCc2nnc(NC(=O)NCc3ccc(C)o3)s2)n1 23581747 FTOSJYHDNJWYKE-UHFFFAOYSA-N 360.443 2.817 0 50 FFAA CCc1ccc(N([C@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 65362482 GGDMNAAHKVIFMC-OAHLLOKOSA-N 352.500 2.662 0 50 FFAA COc1ccc(CCCNC(=O)c2ccc(N[C@H]3CCOC3)nc2)cc1 67447211 PWQYNPOFTJAZHM-KRWDZBQOSA-N 355.438 2.654 0 50 FFAA Cc1ccc(OCC(N)=O)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)c1 67852299 WODSUCHBSJPTEL-MRXNPFEDSA-N 354.450 2.919 0 50 FFAA Cc1ccc(C2(c3noc(CN4CCC[C@H]4C(N)=O)n3)CCCC2)cc1 12203605 OWWPKEZEPFIIER-INIZCTEOSA-N 354.454 2.688 0 50 FFAA Cc1cccn2cc(CNC(=O)c3cc(COc4ccccc4)[nH]n3)nc12 67821152 VWLKSVRTIHWRAJ-UHFFFAOYSA-N 361.405 2.875 0 50 FFAA Cc1ccoc1C(=O)NCc1cccnc1N(C)CCc1ccccn1 12305906 YAEUWLVTGQDYHF-UHFFFAOYSA-N 350.422 2.987 0 50 FFAA COc1ccccc1OCCN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12 150782282 LPRIBOQVHFDWNC-UHFFFAOYSA-N 370.380 2.827 0 50 FFAA CC1CCC(N2C[C@@H](C(=O)N3CCSc4ncccc43)CC2=O)CC1 173295931 AUTNSZOUHSSGHF-SLTAFYQDSA-N 359.495 2.948 0 50 FFAA O=C(c1cc(-c2cccnc2)on1)N1CC[C@](O)(c2ccc(F)cc2)C1 360759050 LYQNCCQWGHFXDI-LJQANCHMSA-N 353.353 2.609 0 50 FFAA O=C(NC1=NCCS1)c1ccn(COc2ccc(F)c(Cl)c2)n1 2793196 SQLQXPBKNIHMIL-UHFFFAOYSA-N 354.794 2.545 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 39543839 JHIWJMNCWUARQC-HXUWFJFHSA-N 358.457 2.903 0 50 FFAA CC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@H]1c1ccccc1 122089214 MFSZXPXXFIGSBG-SFHVURJKSA-N 352.434 2.817 0 50 FFAA Cc1nc(Cc2nc(-c3ccc(N4CCOCC4)nc3)no2)c(C)s1 329572136 MXVMFNWWBOUPHT-UHFFFAOYSA-N 357.439 2.632 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)c3cnc(SC)nc3)cn2)c1 72408764 GCXFPVISTBDDCB-UHFFFAOYSA-N 369.450 2.665 0 50 FFAA CN1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H]1CO 216215282 FIFVYFHTJIABBK-OAHLLOKOSA-N 362.514 2.736 0 50 FFAA Nc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 72458162 RUBMOXOCMKPOOB-BBTUJRGHSA-N 351.450 2.956 0 50 FFAA O=C(Cc1ncccc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1 376097684 QQEQTFPHCUDLBG-UHFFFAOYSA-N 367.384 2.614 0 50 FFAA CCc1ncc(CN2CCC(Oc3cc(C)ccc3F)(C(=O)O)CC2)cn1 72440255 VDVYGGHEWVIRIJ-UHFFFAOYSA-N 373.428 2.985 0 50 FFAA CC(=O)N1C[C@H](CCc2nc(-c3ccc(=O)n(C)c3)no2)c2ccccc21 377476666 USWFKEYSJQJTGD-AWEZNQCLSA-N 364.405 2.518 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCc1nc3ccccc3s1)C2 219569336 RZSBCEIFHZKHBC-INIZCTEOSA-N 370.478 2.911 0 50 FFAA Cc1csc([C@H](NC(=O)N2CCCc3c(cnn3C)C2)C(F)(F)F)n1 333951491 ZBFHUVKABDKZAD-LBPRGKRZSA-N 373.404 2.946 0 50 FFAA CC(C)CC1(NC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 71314925 DFKZRJKMYGOWGG-HXUWFJFHSA-N 366.452 2.987 0 50 FFAA CCN1CCN([C@H]2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)C2)CC1 175223850 ZYPRILCOAWJROT-ZDUSSCGKSA-N 372.296 2.551 0 50 FFAA CCOC1CC2(CCN(C(=O)CCCc3ccc4c(c3)CC(=O)N4)C2)C1 286746228 REJDIOVAWUDEQV-UHFFFAOYSA-N 356.466 2.922 0 50 FFAA CN1CCN(CC(C)(C)NC(=O)N2CCC(Cc3ccccc3)CC2)CC1 426690727 RRBIJHPAUQJFPB-UHFFFAOYSA-N 372.557 2.677 0 50 FFAA Cc1ccc2oc(-c3ccc(C(=O)NC[C@@]4(O)CCCNC4)cc3)nc2c1 426596479 KHWQJYQPFNGGHU-OAQYLSRUSA-N 365.433 2.648 0 50 FFAA NS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 92046042 MXNKWTNYYHUIHV-UHFFFAOYSA-N 368.817 2.546 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CCN(c2ccccc2)C1=O 95504967 IVUFTWNNOJZRCZ-MRXNPFEDSA-N 368.437 2.739 0 50 FFAA CCN(C(=O)c1cccc(-c2cc(Cl)ccc2O)c1)[C@H]1COC[C@@H]1O 426623389 YUXQZXCBHNMGAA-WMZOPIPTSA-N 361.825 2.934 0 50 FFAA CCn1nc(Cn2cncn2)nc1CO[C@@H](c1ccccc1)C(F)(F)F 96162369 FXKYRKVTCMWCHN-HNNXBMFYSA-N 366.347 2.758 0 50 FFAA CCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)cc3)[C@H]2C1=O 238900021 HSUUERRBFBTAAB-FGTMMUONSA-N 352.390 2.562 0 50 FFAA C[C@H]1CN(C2CCN(c3ncc(C(=O)O)cc3Cl)CC2)C[C@@H](C)O1 95365846 MJGCRFXOKLSUNQ-TXEJJXNPSA-N 353.850 2.511 0 50 FFAA Cc1nc(C)c(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)s1 92077259 NMTUMZBNQSUAJD-LJQANCHMSA-N 361.511 2.554 0 50 FFAA CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)on1 95388370 AWDOHUJXCWGEAZ-MAUKXSAKSA-N 361.486 2.589 0 50 FFAA CC[C@@H](C(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1)N1CCOCC1 91644039 MNINVFNBJQJECZ-SFHVURJKSA-N 370.497 2.688 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)CCCC(=O)c1ccccc1)CC2 92081394 ADBFVXYEBKIJGX-UHFFFAOYSA-N 356.466 2.901 0 50 FFAA CC(C)Oc1ccc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)cc1 95384681 LZSAZTPCPNZQNR-HXUWFJFHSA-N 369.465 2.812 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCN(c2ccccc2)C1=O 95512860 JRILGRADPZTWMA-QGZVFWFLSA-N 366.465 2.690 0 50 FFAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1CSc1nnc(C)o1 96149328 JHGGKYMNFSRIFX-UHFFFAOYSA-N 372.454 2.828 0 50 FFAA O=C(NCCc1nc2ccccc2o1)c1ccc(CSc2nnc[nH]2)o1 244852830 UZSISEIJLBSFPJ-UHFFFAOYSA-N 369.406 2.804 0 50 FFAA CCOc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)cc(Cl)c1OC 299255876 CAVOBAPHBWXXRC-YBJDMEARSA-N 353.802 2.836 0 50 FFAA COc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)cc1 263618230 RVMQYFMUKQBUPU-QGZVFWFLSA-N 350.378 2.811 0 50 FFAA COc1cccc2c1CCc1c(C(=O)NCCc3ccc(O)cc3)n[nH]c1-2 263587546 ICWFGNOWWKIGPL-UHFFFAOYSA-N 363.417 2.862 0 50 FFAA COc1cccc(C)c1NC(=O)NCC1(N2CCN(C)CC2)CCCC1 299765966 YQAXGCBLHQWRJT-UHFFFAOYSA-N 360.502 2.685 0 50 FFAA Cc1ccc(NCCCN[C@H](C)Cn2cnc3ccccc3c2=O)nc1 821502253 XVEUJMOUYQMWLE-MRXNPFEDSA-N 351.454 2.580 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 1875384564 SSOMJWPCSAAAHZ-OAHLLOKOSA-N 368.462 2.717 0 50 FFAA O=C(O)C1CC2(C1)CC1(CC(NCc3cnnn3Cc3ccccc3)C1)C2 1875394178 XHXWSEVWTXHGJI-UHFFFAOYSA-N 366.465 2.840 0 50 FFAA CC1CC(CN2[C@H]3CC[C@H]2CN(C(=O)c2c4c(nn2C)CCC4)CC3)C1 1875406681 JZMJEXXVANEWEZ-GQGLESIBSA-N 356.514 2.634 0 50 FFAA CN(C)c1ccc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cn1 952976441 FOJJOKYOFJYUDC-IBGZPJMESA-N 369.465 2.848 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(CCc3ccc4c(c3)CCO4)C2)ccn1 886096533 LGTNUJZNJSOLDA-OAQYLSRUSA-N 367.493 2.774 0 50 FFAA CC(C)n1cc(C[C@H]2NC(=O)N(Cc3cc4ccccc4s3)C2=O)nn1 886068746 NLMCVIAEFVJUQN-OAHLLOKOSA-N 369.450 2.737 0 50 FFAA FC(F)(F)c1ccc(N2CCN(c3ncnc4ccsc34)CC2)nn1 271153970 HOBQZTJSRSRRKB-UHFFFAOYSA-N 366.372 2.827 0 50 FFAA CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(Cl)cc2F)c1C 186772068 LKTBDMKJZAMAFP-UHFFFAOYSA-N 359.854 2.981 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 166732238 LUUPCDZJWKTCML-FQEVSTJZSA-N 374.444 2.977 0 50 FFAA O=C(Nc1ccccn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275974407 MVGCBNXANVGBRD-OAHLLOKOSA-N 353.426 2.762 0 50 FFAA Cc1nc2c3ccccc3nc(NCC[S@@](=O)c3ccccc3F)n2n1 170626708 WRXLXKRQXKFIGB-AREMUKBSSA-N 369.425 2.945 0 50 FFAA CC1=NN(c2ccc(C(=O)NS(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)cc2)CC1 408494130 HJIAVTZSZLMMSI-UKPHBRMFSA-N 361.467 2.521 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 408473331 PSELHSBCWBZHSR-GDBMZVCRSA-N 359.474 2.660 0 50 FFAA C[C@@H](CN1CCCC1=O)NC(=O)c1c[nH]nc1-c1cc2ccccc2o1 188547662 HHBVOGLLMKPKCC-LBPRGKRZSA-N 352.394 2.564 0 50 FFAA CCc1ccc([C@@H]2CN(C(=O)NCC3([S@](C)=O)CCC3)CCO2)cc1 281634838 VKRIEVISQOBELV-GKVSMKOHSA-N 364.511 2.633 0 50 FFAA CCc1cc(N2CCC(NC(=O)[C@@H]3CCCc4cccnc43)CC2)ncn1 194576234 SFAVCPIXDPIXAG-GOSISDBHSA-N 365.481 2.639 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N(Cc1ccccn1)C[C@@H]1CCCO1 1506425703 QQWOMFITPBDGOZ-INIZCTEOSA-N 350.422 2.708 0 50 FFAA Cc1ccc(NC(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cc1Cl 1704300214 ZHXRPVYZFHUYPB-DOTOQJQBSA-N 368.861 2.547 0 50 FFAA O[C@H]1CN(C2CSCCSC2)C[C@@H]1Cc1ccnc2ccccc12 1615953638 OIPJMVHMUMKOFY-KXBFYZLASA-N 360.548 2.919 0 50 FFAA Cc1cc(C)c(CC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c(C)c1 1772706743 PJZSCVJTRAZHCY-IBGZPJMESA-N 350.462 2.724 0 50 FFAA C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 12383846 BTZVVAVDHWKGMY-OAHLLOKOSA-N 360.479 2.747 0 50 FFAA COC(=O)CCCNC(=O)CCc1nnc(CCCCc2ccccc2)o1 12588019 TUGBDDSIEDDKKG-UHFFFAOYSA-N 373.453 2.637 0 50 FFAA O=C(NCc1scnc1-c1ccccc1)c1cn(C[C@H]2CCCO2)nn1 14968141 KWYHUQPYUFWPKQ-CQSZACIVSA-N 369.450 2.511 0 50 FFAA CSCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 15073357 HKMZDKGXYKINNK-UHFFFAOYSA-N 372.494 2.935 0 50 FFAA O=S(=O)(C[C@H]1CSc2ncnc3ncn1c23)c1ccc(Cl)cc1 19829261 PLPKICVDDFHSAM-SNVBAGLBSA-N 366.855 2.600 0 50 FFAA COc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)c(OC)n1 169754816 JKKHYUAOVZUHBM-UHFFFAOYSA-N 374.441 2.700 0 50 FFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)OC2=O 1448400 DVUMNQVDBOUZTH-CABCVRRESA-N 353.216 2.905 0 50 FFAA C[C@H](C(=O)NCCc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 114717160 UQAXBRROQVPXKJ-IEBWSBKVSA-N 352.482 2.563 0 50 FFAA COc1ccc2c(c1)OCCN(C(=O)c1nnn(CC3CCCC3)c1C)C2 328686345 GGOGMVMAEJLSOH-UHFFFAOYSA-N 370.453 2.820 0 50 FFAA COc1c(C)cnc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1C 328636267 NZFMXBMPTJUHMS-FXAWDEMLSA-N 371.529 2.955 0 50 FFAA CNC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(F)cc1Br 237244770 MLZPUVXPUUKTGZ-CMPLNLGQSA-N 359.239 2.566 0 50 FFAA Cc1nnc2n1C[C@@H](C(=O)NCCc1c[nH]c3ccc(Cl)cc13)CC2 750780701 UWDXLIQCCIPTTP-ZDUSSCGKSA-N 357.845 2.643 0 50 FFAA COCCN(C)c1ccc(CNc2cccc(-c3nncn3C)c2)cn1 241144839 JTNJSDKOIQFGBV-UHFFFAOYSA-N 352.442 2.572 0 50 FFAA CN[C@H]1CCCN(C(=O)CCc2cc(Br)ccc2OC)C1 151041406 KPIAZDOKKSYPPQ-AWEZNQCLSA-N 355.276 2.601 0 50 FFAA CCOc1ccc(CN(Cc2nccn2C)[C@@H]2CC23CCNCC3)cc1 261767948 GKFVWMQYYFTSAN-LJQANCHMSA-N 354.498 2.963 0 50 FFAA COC(=O)c1cn([C@@H]2CCN(Cc3ccc(Cl)c4cccnc34)C2)nn1 375203794 XCVAQQPDLNXAPJ-CYBMUJFWSA-N 371.828 2.713 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)cc1N1CCOCC1 909847617 UBZKLYNNUBKWEY-UHFFFAOYSA-N 372.396 2.850 0 50 FFAA O=C(c1cccc2oc(O)nc12)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 927229231 XFVLRNFROBQQAC-VLIAUNLRSA-N 350.374 2.574 0 50 FFAA CC[C@@H](CNC(=O)Cn1cc([C@H]2CCOC2)cn1)Oc1ccccc1C 2325771237 MCFDVNADYKJZJD-WMZOPIPTSA-N 357.454 2.669 0 50 FFAA O=C1Nc2ccc(F)cc2[C@@H]1CC(=O)N1CC[C@H](c2cccc(O)c2)C1 2325773630 DJRVZVHGGZLUDJ-GUYCJALGSA-N 354.381 2.973 0 50 FFAA O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCN([C@H]2CCOC2)CC1 2325784866 PSAONTCXOJWGSC-LBPRGKRZSA-N 351.809 2.507 0 50 FFAA Cc1ccccc1-c1cc(C(=O)N=c2cc(C3CCNCC3)[nH][nH]2)no1 2325786581 ZVKRRTMFRAKNKS-UHFFFAOYSA-N 351.410 2.514 0 50 FFAA CC(C)[C@@H](C)C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2ncon2)cc1 2325867957 JZOBXEZOCSWIIX-UONOGXRCSA-N 358.442 2.511 0 50 FFAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)c(OC)c1 783788 UJEDOANNZXYQCG-SFHVURJKSA-N 361.781 2.770 0 50 FFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 1145385 SYHUCYSQPPURRY-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc(C)n(C(F)F)n3)C1)CC2 2356147495 YPPCTUSXFFPTLH-GOSISDBHSA-N 361.396 2.805 0 50 FFAA Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc2c(c1)OCCO2 4544875 JFGOVTFQHBTEQC-LJQANCHMSA-N 373.792 2.832 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl 4845413 GGNGDIDBECQPGP-CYBMUJFWSA-N 359.209 2.811 0 50 FFAA O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCCCC1 4855964 CVKMCFYPXZVDBS-UHFFFAOYSA-N 356.875 2.751 0 50 FFAA CCN1CCN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)CC1 9614649 UGWQJEJUBYVZHO-UHFFFAOYSA-N 364.902 2.858 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCc2cccnc2-n2ccnc2)c1 67675652 GMFFDSXEONBOIJ-UHFFFAOYSA-N 374.404 2.596 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cc(CC(C)C)[nH]n2)C[C@H]1CCO 104294952 XZVZHKFGQOWJKD-JOCHJYFZSA-N 370.541 2.985 0 50 FFAA COCCN(Cc1cccc(OC)c1)C(=O)CSc1nnc(C)s1 55168632 MGSMDDCRJSCZMT-UHFFFAOYSA-N 367.496 2.622 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 102281644 KBMFCCUHTQGEDB-OAHLLOKOSA-N 370.877 2.632 0 50 FFAA COc1ccccc1CNC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 55154579 FQMDPUCISLHCEM-UHFFFAOYSA-N 356.466 2.787 0 50 FFAA Cc1cc(N)n(CC(=O)N[C@H](c2ccncc2)c2ccc(Cl)cc2)n1 67739801 RDECDQCSLSTOPY-SFHVURJKSA-N 355.829 2.728 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)O)n2-c2ccccc2Cl)nn1C 67695456 PIVHNDFCGGEADB-UHFFFAOYSA-N 363.830 2.806 0 50 FFAA CCc1nnc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)s1 20213876 XTZFQCUSDFJRKE-UHFFFAOYSA-N 365.890 2.515 0 50 FFAA Cc1nc(CCc2nc(-c3cccnc3)no2)n(-c2ccccc2F)n1 65451932 GWSPHYUMUDCBLU-UHFFFAOYSA-N 350.357 2.945 0 50 FFAA Cc1ccc2oc(N3CCOC[C@@H]3c3ncn(CC(F)(F)F)n3)nc2c1 253418145 KLCDFIZUNMNHIA-GFCCVEGCSA-N 367.331 2.868 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1=O 151109674 WMTOIFFQFHYRNA-OAHLLOKOSA-N 360.360 2.817 0 50 FFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC([C@@]2(C)N=C(O)N=C2O)CC1 329824211 HTERHMLJGDZCCF-ZXYWRSMDSA-N 365.474 2.853 0 50 FFAA Clc1nccc(I)c1I 38824969 KVKNKYILEPWLQE-UHFFFAOYSA-N 365.339 2.944 0 50 FFAA O=C1[C@H](N2CCC(Oc3cnccn3)CC2)CCN1c1cccc(Cl)c1 330162411 AHKMRWJHVKTTIO-QGZVFWFLSA-N 372.856 2.779 0 50 FFAA CCCc1cc(C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)n(C)n1 77338397 BYPGHEDEBPSGMU-ZDUSSCGKSA-N 360.845 2.561 0 50 FFAA O=C(c1cnn([C@@H]2CCCNC2)c1)N1CCCCC[C@H]1c1ccncc1 333871379 UQQMLYBNIYJJEG-MOPGFXCFSA-N 353.470 2.960 0 50 FFAA CCOc1ncccc1NC(=O)C(=O)N1C[C@H](c2cccs2)C[C@@H]1C 371763961 CTYJDWXYYODPFJ-QWHCGFSZSA-N 359.451 2.885 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 238061776 MKSIBFKINDFJBE-LBPRGKRZSA-N 366.826 2.779 0 50 FFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CCCC[C@@H]1c1cc[nH]n1 376612732 MXWDSRWGXBUXMP-MRXNPFEDSA-N 351.414 2.809 0 50 FFAA CCOc1ncccc1C(=O)N(Cc1ccncc1)C1CCN(C)CC1 77436656 WAFZSFXHPLUAEF-UHFFFAOYSA-N 354.454 2.612 0 50 FFAA Cn1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)c1C1CC1 72475574 RWDONODJZFBWCY-OAQYLSRUSA-N 350.510 2.973 0 50 FFAA COc1ccc(CCC(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1OC 240534555 GOMBXHHWUHPURM-MRXNPFEDSA-N 359.470 2.926 0 50 FFAA CN(C(=O)c1ccc(-c2nnc(S)o2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 241231297 KTTDHMSIPPIBGN-BFHYXJOUSA-N 359.451 2.911 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[C@H]1NC1CCCCCCC1 72433726 VABXCWQLXHFXKK-CVEARBPZSA-N 355.504 2.803 0 50 FFAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3cncc(C(N)=O)c3)cc2)C1 426412385 KYRQEUHKPHRTNL-IBGZPJMESA-N 367.449 2.879 0 50 FFAA c1cncc(CN(CCCn2ccnc2)c2cc([C@@H]3CCOC3)ncn2)c1 426552171 ZTVAXDPHNYKXRO-GOSISDBHSA-N 364.453 2.669 0 50 FFAA CC[C@@H](NC(=O)Cc1ccc(OC)cc1OC)c1cn2cccnc2n1 220242894 WAUGUFKUPBHZFG-OAHLLOKOSA-N 354.410 2.557 0 50 FFAA COc1ccc(F)cc1-c1ccc(C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 426737569 WOFDTOVAICFEFB-CYBMUJFWSA-N 356.397 2.804 0 50 FFAA COc1ccc(C(=O)N2CCC(c3nc([C@@H]4CCOC4)no3)CC2)cc1 96153647 UFXUVUQAUZDNTG-OAHLLOKOSA-N 357.410 2.602 0 50 FFAA O=C(NC[C@@H]1COc2ccccc2O1)c1c[nH]nc1-c1cccc(F)c1 91943402 DCOYTTYVSUFOKM-CQSZACIVSA-N 353.353 2.786 0 50 FFAA O=C(C1CCCC1)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91643706 IOUFFWNKDKBYHS-UHFFFAOYSA-N 368.485 2.754 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c[nH]nc1-c1ccc(F)cc1)C2 91441802 QLGQUBLYRYUQRD-RDTXWAMCSA-N 371.460 2.794 0 50 FFAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCc1cc(=O)[nH]cn1 91713631 RYOSDVZENNNHPV-UHFFFAOYSA-N 373.456 2.921 0 50 FFAA COc1ccccc1-n1cc(C(=O)NC[C@@H]2OCCc3ccccc32)cn1 91876829 IFMWUIQENVITPW-FQEVSTJZSA-N 363.417 2.925 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)[C@H]2CCCCCN2C)o1 95391263 BDSYLQFQRGUQFZ-QGZVFWFLSA-N 353.532 2.565 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 95384825 BXYWGDAPTLPCQG-SFHVURJKSA-N 372.488 2.923 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)c1ccc2c(c1)ncn2CCO 97446912 QNVBDDNHCWPDHU-UHFFFAOYSA-N 373.840 2.963 0 50 FFAA Cc1ccc(C2(C(=O)N3C[C@H](CO)[C@H](CN4CCCCC4)C3)CC2)cc1 91737113 GWYWVSAESHOLRM-RTBURBONSA-N 356.510 2.579 0 50 FFAA COCCc1nc2ccc(C(=O)NCCc3nc4c(s3)CCC4)cc2o1 95508923 RHDKCDJXYDRMNB-UHFFFAOYSA-N 371.462 2.934 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 268997500 XEQYUONBRGFGFS-JTQLQIEISA-N 371.233 2.650 0 50 FFAA Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)N[C@H]1CCNC1=O 244773918 PISIGAJEUWCZMZ-KRWDZBQOSA-N 364.401 2.939 0 50 FFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@@]2(CCCO2)[C@]12CCCO2 257358159 RZAWMJIEWNGUAL-XEFDQGCZSA-N 365.429 2.706 0 50 FFAA Cc1c(-c2cccc(C(=O)NC[C@@H](C)Oc3cccnc3)c2)cnn1C 534660428 SMMSGZCZIKEUFS-CQSZACIVSA-N 350.422 2.988 0 50 FFAA COC(=O)c1cc(NC(=O)NCC23CCCN2CCC3)ccc1Cl 299770941 SHPWVQBCPYLTDJ-UHFFFAOYSA-N 351.834 2.877 0 50 FFAA CCn1c(CNC(=O)CC2=CSC3=NCCCN23)nc2ccccc21 299782096 PGEHKSFIEIBFQN-UHFFFAOYSA-N 355.467 2.712 0 50 FFAA COc1cccc(-c2ccc(NC(=O)N3CCC(O)(CO)CC3)cc2)c1 299783019 GXMGQSIYJWQJBX-UHFFFAOYSA-N 356.422 2.713 0 50 FFAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCOC(C)(C)C2)C1 1875259801 PLHWRASXXAMLSH-LSDHHAIUSA-N 362.474 2.669 0 50 FFAA CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCc3scnc32)c1 1875281668 PCTYGIZMPKROKL-LBPRGKRZSA-N 351.453 2.573 0 50 FFAA Cc1ccc(N2C[C@H](c3nc(-c4n[nH]c(C5CC5)n4)no3)CC2=O)c(F)c1 1875265733 BKXXKKDAPSLKNB-LLVKDONJSA-N 368.372 2.700 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N2CC[C@@](C)(c3cccc(OC)c3)C2)C1 1875370943 JNIXCBZCNLUNFN-HRAATJIYSA-N 356.466 2.610 0 50 FFAA Cc1cc(C(=O)N2CCCC[C@H]2C[C@H](O)C(F)(F)F)c2c(C)n[nH]c2n1 1875313846 YVSXUQDSYOTEGQ-AAEUAGOBSA-N 370.375 2.883 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@]2(C)C[C@@]2(F)Cl)C1 1875383508 WWXWMOMDDGYPAE-FZDIXFNVSA-N 364.848 2.820 0 50 FFAA CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(c3ncnc(C)c3OC)C[C@@H]2CC1 1875408290 SFGSBLLIXZXDRQ-WCXIOVBPSA-N 358.486 2.515 0 50 FFAA Cc1cc(N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)c2c(C)noc2n1 1875400291 WCFTZHRNQGTIKT-DOMZBBRYSA-N 354.414 2.651 0 50 FFAA c1cnc(-c2nc(CNCc3cnc(N4CCCCC4)nc3)cs2)cn1 952960209 LBJAQKOGRXHPOW-UHFFFAOYSA-N 367.482 2.670 0 50 FFAA Cc1ccc(C)c(NC(=O)CCNC(=O)CCc2n[nH]c3c2CCCC3)c1 952980653 XTKIVBNDLQNTGD-UHFFFAOYSA-N 368.481 2.983 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(C(=O)c3coc4c(C)cccc34)C2)n1 886088414 GOGKCXQPIWSBAS-LJQANCHMSA-N 355.394 2.642 0 50 FFAA Cc1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1 1565511188 ZSGQKKJYFNDOCE-PMACEKPBSA-N 355.434 2.864 0 50 FFAA Cc1cc(N2C(=O)CN(Cc3ccc(C(F)(F)F)cc3)C2=O)n(C)n1 170613796 HMNFCBOVEGEWAS-UHFFFAOYSA-N 352.316 2.716 0 50 FFAA COc1ccc(S(=O)(=O)Nc2nnc3ccccn23)c(Cl)c1Cl 225427103 OKGXLPFYSWNVMR-UHFFFAOYSA-N 373.221 2.846 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCCC2)nc1 190430175 QHNDATNYYBICCH-HKUYNNGSSA-N 355.486 2.908 0 50 FFAA Cc1noc(C)c1C[C@@H](C)NC(=O)NC1CCC(Oc2cnccn2)CC1 190816283 AKMFBYXNVOTERI-UWTIGNOOSA-N 373.457 2.702 0 50 FFAA O=C(COc1cccc(Cl)c1)N1CCCN(C(=O)C2CCC2)CC1 1704297556 CEFBVJORFKGHTR-UHFFFAOYSA-N 350.846 2.580 0 50 FFAA CN1CCCC[C@@H]1C(=O)N1CCCN(C/C=C/c2ccc(F)cc2)CC1 1775982603 AVSYPSRCAXVCTN-PEAOBZDDSA-N 359.489 2.858 0 50 FFAA CN(C)c1nc(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)ncc1F 1772707539 WLYKIQVDZUDWJC-AWEZNQCLSA-N 362.449 2.831 0 50 FFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775979447 IFPNYTXUJQBQDX-SFHVURJKSA-N 355.829 2.831 0 50 FFAA Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2cncn2)n1 11665095 SWXIBQJRDZUMPQ-OAQYLSRUSA-N 372.432 2.637 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@H](Cc2ccccc2)C1 12301639 RSCZWLGWEYWVFR-SFHVURJKSA-N 353.418 2.818 0 50 FFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(OC)c1 13671471 ZDUZIJZNEYLZED-OAHLLOKOSA-N 370.515 2.637 0 50 FFAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](NCC(F)(F)F)C2 14540237 JEHKLAYQOMGNKK-GFCCVEGCSA-N 358.408 2.538 0 50 FFAA COCCCNC(=O)c1ccc([C@H]2CCCN2Cc2c[nH]c(C)n2)s1 19146297 UARWBCDIJJIQNY-OAHLLOKOSA-N 362.499 2.883 0 50 FFAA Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c(=O)c2ccccc21 19147110 QVIWTLNXFKQSOU-MRXNPFEDSA-N 353.466 2.629 0 50 FFAA CCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19834845 AFOPFXHVVRUZKJ-UHFFFAOYSA-N 352.434 2.936 0 50 FFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(C)cc4C)C3)nn2)n1 169778086 GJDYUCRKOXJGRR-CQSZACIVSA-N 366.425 2.595 0 50 FFAA CCCCc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@]3(CC)C2)cc1 1857666728 IAHQFUNTMXJKFB-SFHVURJKSA-N 366.483 2.635 0 50 FFAA O=C(c1ccccc1OCc1ccccc1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857668650 LXISKPDHNLDELX-SLYNCCJLSA-N 367.445 2.878 0 50 FFAA CCCN1CCC[C@@]2(C(=O)NCc3ccccc3OCC)CCN(C)C[C@H]12 1857672909 LYBOSVWQPIWSHC-RBBKRZOGSA-N 373.541 2.898 0 50 FFAA C[C@H]1CN2C[C@@H](NC(=O)c3cc(C4CC4)nc4ccccc34)C[C@H]2CO1 1857686131 JGGYWFXSAQJPKD-BPUTZDHNSA-N 351.450 2.704 0 50 FFAA NC(=O)c1c[nH]c(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 125091841 GAPCLFSRTWULJM-NSHDSACASA-N 368.220 2.714 0 50 FFAA Cc1ccc(CC(=O)N2CCN(C(=O)c3c(F)ccc(O)c3F)CC2)cc1 332514573 GEVYDQHMJKZEJJ-UHFFFAOYSA-N 374.387 2.506 0 50 FFAA Cc1nc([C@H]2CCN(C(=O)c3cc(F)c(F)cc3Br)C2)n[nH]1 333983631 DTTAEWALEREXMY-QMMMGPOBSA-N 371.185 2.784 0 50 FFAA Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 378156818 DNAJBUAXNPYVSM-UHFFFAOYSA-N 350.304 2.791 0 50 FFAA O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1Cc2ccncc2C1 935946848 LKRFCANKLXAQJR-UHFFFAOYSA-N 350.344 2.718 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c2cc(Cl)ccc2n1 1857798242 XHIJSBRUGKRZJP-AWEZNQCLSA-N 359.813 2.547 0 50 FFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1C[C@@H](CO)C[C@@H]1CO 2325774454 FTIVWYXSFQGMBP-QFBILLFUSA-N 364.445 2.510 0 50 FFAA Cc1nc(NC(=O)c2cccnc2Oc2ccccc2C(N)=O)n(C)c1C 2325855895 SVVCQAHGBVUIBB-UHFFFAOYSA-N 365.393 2.575 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2c(F)cccc2OC)CC1 2325887999 JRFKWLRISAUTRT-MRXNPFEDSA-N 360.429 2.922 0 50 FFAA CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 633150 PSFKPYNTALZRLS-UHFFFAOYSA-N 370.796 2.647 0 50 FFAA Cc1nc(C)n(C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 811864 TVHOZRUXNBWNSP-GOSISDBHSA-N 351.406 2.566 0 50 FFAA CC1(C)NC(=O)N(CCOc2ccc(OCc3ccccc3)cc2)C1=O 1125258 ZOIDOGUPDOGVBU-UHFFFAOYSA-N 354.406 2.975 0 50 FFAA CCOc1ccc(NC(=S)NC(=O)C[C@H]2CC(C)(C)OC2=O)cc1 1134879 RPPDQUPRXXQYOO-NSHDSACASA-N 350.440 2.630 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2c(OC)cccc2OC)c1 1230586 DZDOZMKJZCPIPZ-UHFFFAOYSA-N 373.361 2.529 0 50 FFAA biogenic COc1cc(CN2CCC[C@]23CCCN(C2CC2)C3=O)cc2c1OCO2 2356152519 NIWBCNHAFUTBTQ-HXUWFJFHSA-N 358.438 2.543 0 50 FFAA Cc1ncc(CN2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)CC2)s1 111740085 KGCJHPZDDOLRDY-UHFFFAOYSA-N 374.514 2.889 0 50 FFAA O=C(CN1CCOCC1)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1 57291655 OCGULOCONNVDQM-UHFFFAOYSA-N 373.840 2.863 0 50 FFAA Cc1ccc(NC(=O)CC(=O)NCC[C@@H]2COc3ccccc3O2)cc1 55281256 JCXFYCSKSLGCNA-MRXNPFEDSA-N 354.406 2.670 0 50 FFAA Cc1nc(CN2CCn3nc(CN4CCC[C@H]4C)cc3C2)c2ccccn12 106993063 DWLMEWBXYZBFSG-MRXNPFEDSA-N 364.497 2.839 0 50 FFAA Cc1nnc(SCc2cc(=O)n3nc(-c4ccccc4)nc3[nH]2)s1 100071873 VAAYVZUOURCSTC-UHFFFAOYSA-N 356.436 2.537 0 50 FFAA Cc1cccc(-n2cc(-c3ccnc(N[C@H](C)Cn4cncn4)n3)cn2)c1 23399355 ZFYXAWJHFHFCRM-OAHLLOKOSA-N 360.425 2.730 0 50 FFAA CN(CCc1ccccc1)Cc1cc(C(=O)N(C)C[C@@H]2CCCO2)no1 67880647 STEGNACRUIUWNV-KRWDZBQOSA-N 357.454 2.600 0 50 FFAA Cc1cc(C)c(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)c(=O)[nH]1 67679202 RXXSQUIHDYADTA-UHFFFAOYSA-N 367.380 2.984 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)NCc1cc(-c3ccccn3)no1)cn2C 65393420 IYCWZCGQYJFXPJ-UHFFFAOYSA-N 374.400 2.827 0 50 FFAA CC(=O)N[C@H](C)CC(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67885882 WXTPDAYXXWWPRE-CYBMUJFWSA-N 372.444 2.837 0 50 FFAA O=C(NCCCOC1CCCC1)N1CCN(Cc2cccs2)CC1 61018792 MYBBRWXEGRXKIW-UHFFFAOYSA-N 351.516 2.925 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)[C@H]1CCOC1 2356096823 HLOBHZCZGWMKEM-FPOVZHCZSA-N 366.461 2.775 0 50 FFAA c1cc2c(cc1CN1CCN([C@H]3CCCN(C4CCC4)C3)CC1)OCO2 23373478 UTPJEVZAGKPJJY-IBGZPJMESA-N 357.498 2.550 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H](Cc1ccccc1)N(C)C)C2 67473124 GKAFAGWYRRLSDR-IBGZPJMESA-N 352.482 2.690 0 50 FFAA C[C@H](CC(=O)N1CCC(c2cc(CC(=O)O)[nH]n2)CC1)c1ccccc1 67790223 RZBBHGIJLGJWSK-CQSZACIVSA-N 355.438 2.937 0 50 FFAA Cn1cc(-c2c[nH]cc2C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)cn1 429119631 XPGDAYLYFRTWLA-UHFFFAOYSA-N 365.372 2.516 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(c2ccccn2)CC1 328627821 GOZRKORSWAYJAJ-OXJNMPFZSA-N 355.486 2.634 0 50 FFAA CCc1nnc(CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 72426770 GEMVJSWYEFGDPF-PWIZWCRZSA-N 356.445 2.833 0 50 FFAA Cn1ncc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Br)c1=O 329730353 HVGACOXSFNCOGE-TZMCWYRMSA-N 364.243 2.875 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)NC1CCN([C@@H]2CCOC2)CC1 363711427 QQXDYVFBEUIAPV-OAHLLOKOSA-N 356.388 2.617 0 50 FFAA CC[C@H]1CN(C(=O)C2(COC)CCC2)CCC(=O)N1Cc1ccccc1 71753141 CAIJTLCZAHZHDF-SFHVURJKSA-N 358.482 2.843 0 50 FFAA CON(CC1CCOCC1)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O 366963059 ONICWIRKOJPONP-PMACEKPBSA-N 358.482 2.955 0 50 FFAA Cc1ncc2c(c1CNC(=O)c1c[nH]nc1C1CCCCC1)CCNC2 72163843 KIPGRICNCNZWOI-UHFFFAOYSA-N 353.470 2.737 0 50 FFAA O=C(CCc1cc2n(n1)CCNC2)N1CC[C@H](c2ccccc2Cl)C1 72425984 VFJFFKDQGCHZNT-AWEZNQCLSA-N 358.873 2.588 0 50 FFAA COc1ccccc1C1CC(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 375268883 GTOBNWQGKOKKHI-IARPJIFCSA-N 355.438 2.569 0 50 FFAA COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CC(=O)N(C)C3)cc2)c1 219415931 PLNGDYQGRARDTN-OAHLLOKOSA-N 352.434 2.913 0 50 FFAA COc1cccc(CN2CC3(CCN(C[C@H]4CCOC4)CC3)CC2=O)c1 77406775 HABZIUNNKJTAOY-GOSISDBHSA-N 358.482 2.546 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCN(Cc4noc(C)n4)CC3)c2c1 77472144 ZXFKWFUZQPSAOG-UHFFFAOYSA-N 365.437 2.501 0 50 FFAA O=C(O)C1(CCc2ccccc2)CCN(c2ncnc3[nH]cnc23)CC1 71758954 LYAIUGDWJRARTE-UHFFFAOYSA-N 351.410 2.657 0 50 FFAA CC(C)c1nnc2n1C[C@H](N[C@@H]1CCN(Cc3ccccn3)C[C@@H]1C)CC2 245738616 LLVXCFXKRBBXIU-QXAKKESOSA-N 368.529 2.612 0 50 FFAA CN(C[C@H]1CCOC1)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 176243699 WNDSMZXIJNYRCJ-KGLIPLIRSA-N 369.412 2.545 0 50 FFAA C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 240551503 GUFOKIHPJHESNM-ZTFGCOKTSA-N 367.449 2.565 0 50 FFAA CCN(C[C@@H]1CCN(C(=O)c2cnc3n[nH]c(C)c3c2)C1)CC(F)(F)F 175689523 FOZAPWHEJSJORI-LBPRGKRZSA-N 369.391 2.613 0 50 FFAA Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)nnn1-c1ccccc1Cl 176726651 UKQQJQUZHQSGBF-UHFFFAOYSA-N 353.773 2.753 0 50 FFAA COc1ccc([C@H](O)C(=O)NCCCc2nc3c(C)c(C)ccc3[nH]2)cc1 222565319 QMAPFMHIFUEOGY-FQEVSTJZSA-N 367.449 2.971 0 50 FFAA O=C(Nc1nnc(-c2ccco2)s1)N1CCN(c2ccccn2)CC1 47783496 ZTROQAGHHFWTDQ-UHFFFAOYSA-N 356.411 2.547 0 50 FFAA Cc1ccccc1[C@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1 426677354 CGKMRTARQOMMBO-SFHVURJKSA-N 359.514 2.995 0 50 FFAA COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 194613922 WAHOEIRMHNCPSE-UHFFFAOYSA-N 372.446 2.721 0 50 FFAA CN1[C@H]2CC[C@@H]1CN(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)CC2 426505842 PJOYAXKIBZTJRC-ZWKOTPCHSA-N 357.433 2.771 0 50 FFAA Cc1cccc(CCNC(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)n1 426412657 DGEXTHVWKIABBI-OAQYLSRUSA-N 367.493 2.958 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H](N)c3ccccc3)C2)n1 237740805 IUQLQRNNNNEDFV-QZTJIDSGSA-N 366.465 2.657 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)NCCN1CCC[C@@H](CO)C1 426488555 WGVNKQQQPRLOQS-CQSZACIVSA-N 373.419 2.551 0 50 FFAA Cc1cccc(Nc2nc(N)nc(CN3CCC[C@@]4(CCOC4)C3)n2)c1 95352365 SSYRZSJHXXJHHM-LJQANCHMSA-N 354.458 2.508 0 50 FFAA Cc1ncc(-c2nc(-c3ccncc3)nn2CCc2ccccc2)c(=O)[nH]1 96164651 NUBPTDRZGVHYRD-UHFFFAOYSA-N 358.405 2.642 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1cccc(CN2CCCC2)c1 95381997 OEQAICHETZXPKI-JOCHJYFZSA-N 363.505 2.955 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(c1ccc(C(=O)O)cn1)CC2 91351121 FDQNHUMTLOFUEK-UHFFFAOYSA-N 369.469 2.657 0 50 FFAA Cc1nc(CCNC(=O)c2oc(COc3ccccc3)cc2C)cc(=O)[nH]1 23337535 OWCIYZDEUUMTEM-UHFFFAOYSA-N 367.405 2.531 0 50 FFAA COc1cncnc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 294206853 MGJLZTRUCPLWCO-OAHLLOKOSA-N 355.442 2.614 0 50 FFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1coc(CN2CCOCC2)c1 97772723 TYZVPJKRYSGMSP-OAHLLOKOSA-N 369.343 2.540 0 50 FFAA O=C(O)CC[C@@H]1CN(Cc2ccc3occc3c2)CC[C@@H]1N1CCOCC1 91551739 FTQJHCSUOBZSFH-MOPGFXCFSA-N 372.465 2.820 0 50 FFAA COc1ccc(C(C)(C)C)cc1NC(=O)NCCCN1CCC[C@@H](O)C1 95504268 HCYQAYYBGSHQAY-MRXNPFEDSA-N 363.502 2.961 0 50 FFAA CCCCOCC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91364706 FBQSGOFKEDLCGM-UHFFFAOYSA-N 373.497 2.630 0 50 FFAA O[C@@H](COc1ccccc1CN1CCC(F)CC1)CN1CCCCC1 95523418 DGBMAVOQJQEPQI-LJQANCHMSA-N 350.478 2.846 0 50 FFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1cccc(C(F)(F)F)c1)CC2 95379381 GWGFWJZLYNVVJP-AWEZNQCLSA-N 370.371 2.603 0 50 FFAA CC(=O)N[C@H]1C[C@H](c2nnc(COc3ccc(C)c4c3CCC4)n2C)C1 243932538 BXEQBQBUYXNVPF-SHTZXODSSA-N 354.454 2.573 0 50 FFAA Cc1cc2c3c(c1)C(CSc1nncn1C)=CC(C)(C)N3C(=O)C2=O 253495435 DMUQUZFTZLPNQT-UHFFFAOYSA-N 354.435 2.621 0 50 FFAA CC(C)OCCCNC(=O)C1(CCO)CCN(Cc2ccccc2)CC1 299804034 SXDFAXGICCJYRI-UHFFFAOYSA-N 362.514 2.583 0 50 FFAA CC(=O)NCc1ccc(-c2ccc(C(=O)NCC3CCOCC3)cc2)nc1 534578900 RUUDUTWQQXVHRP-UHFFFAOYSA-N 367.449 2.541 0 50 FFAA CN(C)C[C@]1(CO)CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1 534589492 HFJULAXQDMSHLX-QGZVFWFLSA-N 374.312 2.839 0 50 FFAA Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@]2(C1)OCc1ccccc12 185301899 PQLCSMNRZDOOGJ-FOIQADDNSA-N 354.454 2.669 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)Nc3cccn4cnnc34)CC2)o1 299793391 HPHVSOHAFDJJOV-UHFFFAOYSA-N 368.441 2.664 0 50 FFAA COc1ccc2[nH]c(CN3CCC[C@H](CS(C)(=O)=O)C3)c(C)c2c1 824757821 LTDQAFLHPIIBSN-AWEZNQCLSA-N 350.484 2.742 0 50 FFAA O=C(NCc1ccc2nc[nH]c2c1)N(Cc1ccccn1)C[C@H]1CCCO1 584903578 ASFRYXLQIKANBD-QGZVFWFLSA-N 365.437 2.849 0 50 FFAA CC(C)CN1CCCC[C@H]1CCNS(=O)(=O)c1ccnn1C(C)C 670461330 GRIVXAWWAMYHIR-INIZCTEOSA-N 356.536 2.643 0 50 FFAA c1ccc(CSc2cncc(N3CCN(c4cnccn4)CC3)n2)cc1 269958042 UGKUOJWJFQUGKJ-UHFFFAOYSA-N 364.478 2.886 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)NCCCn1ccnc1C(C)C 670460418 LLGYUSVHZJVDMW-UHFFFAOYSA-N 364.453 2.987 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N[C@H](C2CC2)[C@@H]2COCCO2)cc1 1875287687 UXAQTVYSDNKLBM-LEWJYISDSA-N 366.461 2.736 0 50 FFAA CC(C)(C)c1nc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)n[nH]1 1875293065 BFUFSMNPTOPVGC-NSHDSACASA-N 356.348 2.584 0 50 FFAA Cc1ccc([C@@H](C)C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)s1 1875320588 GKVHVWDOOAWXQL-CYBMUJFWSA-N 355.467 2.780 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCOC(C)(C)[C@H]2c2ccccc2)n1C 1875343008 CIJYCKLHFZPIFX-QGZVFWFLSA-N 356.422 2.804 0 50 FFAA O=C(C/C=C/Cc1ccccc1)N1CC[C@@H](C2CC2)[C@H]1c1nc(O)n[nH]1 1875401509 JZGUQYQUARHCJD-NCWIEVAOSA-N 352.438 2.999 0 50 FFAA Cc1nnc(-c2cccc(-n3ccnc3-c3cc4n(n3)CCNC4)c2)s1 72425048 QVIZTDVRFHARBF-UHFFFAOYSA-N 363.450 2.666 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2Nc2ncnc4ccccc24)C3)cc1 952969238 SSGXHAQBRJPMCL-QKTWPWEVSA-N 371.488 2.609 0 50 FFAA Cc1ccc(C(=O)O)c(NC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 885762775 PKTOOCFQDFTJFO-ZIAGYGMSSA-N 367.405 2.506 0 50 FFAA CN(C)c1nccc([C@H]2CN(C(=O)c3ccc4sccc4c3)CCO2)n1 276666374 MYIFFORJUMOTTK-MRXNPFEDSA-N 368.462 2.971 0 50 FFAA Cc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H]3CN(C(=O)N(C)C)C4)CC2)cc1 1073381421 POXOJDXBIUZFJO-AEFFLSMTSA-N 355.482 2.631 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ns1 277787627 GZURVJOINHWMMO-CQSZACIVSA-N 365.405 2.651 0 50 FFAA C[C@@H](NC(=O)[C@H](c1cncn1C)N(C)C)c1cccc(N2CCCC2)c1 281021847 OLROJIJDCYQTSD-BEFAXECRSA-N 355.486 2.500 0 50 FFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CCC[C@H](CC(N)=O)C1 188591525 ZYVOMDLCMVMIQA-GFCCVEGCSA-N 357.376 2.811 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCc2c(O)cccc21 190762200 FNXIFVXDWJDJIZ-KRWDZBQOSA-N 367.449 2.991 0 50 FFAA Cc1cc(C)c2cc(C(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)[nH]c2c1 757963437 PSLFPGXFJDDFPZ-OXJNMPFZSA-N 352.434 2.999 0 50 FFAA C[C@@H](OC(=O)[C@H]1CCCc2n[nH]cc21)C(=O)N1CCSc2ccccc21 758134814 GLUYZVHRLFEBRX-OLZOCXBDSA-N 371.462 2.900 0 50 FFAA O=C(O[C@@H]1CCOC[C@@H]1OCc1ccccc1)[C@H]1CSCCS1 766996062 GGZCFRJUODIGCX-OWCLPIDISA-N 354.493 2.753 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CSc2ccncc2)C[C@@H]1c1ccc(F)cc1 212964917 GMDQKOAEGVQOGS-CVEARBPZSA-N 360.410 2.640 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1CCCN(Cc2cc[nH]n2)CC1 1772804133 HCPROOMQYXADDA-UHFFFAOYSA-N 352.360 2.777 0 50 FFAA COc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 5335618 FUJBYJLNKKRCJK-UHFFFAOYSA-N 366.870 2.860 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)CC4CC4)C3)C2=O)c1 11933665 PXMTZEKJJJJYCH-NRFANRHFSA-N 374.456 2.976 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 12299653 AGCCOEPQEJILQL-KRWDZBQOSA-N 350.422 2.512 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2c[nH]cn2)C1 12317034 XPUSNCZDPSHQRE-HXUWFJFHSA-N 357.454 2.806 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1 12379382 CWPBHALMHATDGN-UHFFFAOYSA-N 357.454 2.510 0 50 FFAA O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1Cc1ccccc1 13721584 CBZVQHORJCXFND-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA CN(C)c1nc2c(c(-c3cccc(-c4ccn(CCO)n4)c3)n1)CCCC2 19225928 VBFMFNJHUNKDDF-UHFFFAOYSA-N 363.465 2.944 0 50 FFAA O=C(c1ccsc1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169778633 YDLDZQFLYUMWKG-UHFFFAOYSA-N 370.438 2.744 0 50 FFAA CCCCn1nc(CC(=O)NC)nc1-c1c(-c2ccccc2)n[nH]c1C 1857731000 HFIRSANGFNADIO-UHFFFAOYSA-N 352.442 2.732 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 1857738838 ASXDKDLHUUIOHW-UHFFFAOYSA-N 368.437 2.785 0 50 FFAA O=C(c1cccn1C1CC1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 216198363 DKXQXOQKLXOJDE-MJGOQNOKSA-N 350.466 2.955 0 50 FFAA CC(C)(C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CC1 332747392 BFGZKFNOCBMQSO-GWCFXTLKSA-N 359.850 2.807 0 50 FFAA O=C(O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)o1 238033809 UFKPWMXNXCLHQK-LLVKDONJSA-N 362.769 2.557 0 50 FFAA CCC(=O)N1CCc2cc(C(=O)N(CC)CCCN3CCCC3)ccc21 241588326 PBZFLPTYXWERJH-UHFFFAOYSA-N 357.498 2.934 0 50 FFAA O=S(=O)(c1cccnc1C(F)(F)F)N1CCOC[C@@H]1c1ccccc1 376392731 WPQYCSTVVLPQIH-CYBMUJFWSA-N 372.368 2.863 0 50 FFAA O=C(NCCNc1ncc(Cl)cc1Cl)[C@@H]1C[C@H]1C1CCNCC1 377759127 YXUQOLNQOWYEGI-QWHCGFSZSA-N 357.285 2.552 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc3c(nc2O)CCCC3)C[C@@H]1c1ccccc1 262874612 JXIQKQHUPUGXND-SJORKVTESA-N 366.417 2.606 0 50 FFAA CN(c1cccnn1)C1CCN(C(=O)c2cc(F)cc3cccnc23)CC1 163330236 XBWGQABIEUVCRC-UHFFFAOYSA-N 365.412 2.905 0 50 FFAA CC(C)c1nc(O)ccc1C(=O)N(C)Cc1nc(O)c2ccccc2n1 2100539560 NYFPXOORWKNACV-UHFFFAOYSA-N 352.394 2.832 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)[C@H]1CCCn2nccc21 2325754186 LUFAOHPKIJYCAZ-BBRMVZONSA-N 372.856 2.583 0 50 FFAA CCOC(=O)Cc1ccc2nc(O)n(Cc3ccc(CC)cc3)c(=O)c2c1 2325821319 FCDBFJZBWTVSDX-UHFFFAOYSA-N 366.417 2.818 0 50 FFAA N[C@@H]1CCN(C(=O)Cc2ccc3nc(O)[nH]c3c2)c2ccc(Cl)cc21 2325859278 UCMDURODFPROIN-CYBMUJFWSA-N 356.813 2.901 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2CC[S@@](=N)(=O)c3ccccc32)cc1 2325888936 SDBHALNCJKNQBM-RUZDIDTESA-N 355.419 2.877 0 50 FFAA Cn1ncc(NC(=O)c2ccc3c(Br)cnn3c2)c1C1CC1 935436482 PDMCLWQZVWKJBQ-UHFFFAOYSA-N 360.215 2.960 0 50 FFAA COC(=O)c1ccccc1OC[C@@H](O)Cn1cnc2cc(C)c(C)cc21 785917 JOHQZACENGYWCC-HNNXBMFYSA-N 354.406 2.880 0 50 FFAA CCOCc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 4670986 VLUINGQEJILAQG-MRXNPFEDSA-N 364.467 2.588 0 50 FFAA O=C1C[C@@H](N2CCCCCC2)C(=O)N1c1ccc(Br)cc1 4697138 NAQFMZBTOYFBIK-CQSZACIVSA-N 351.244 2.957 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C 282853080 QIMFRWNNICDCFX-IBGZPJMESA-N 354.498 2.986 0 50 FFAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](N2CCOCC2)C1 172748265 GSSBAFGRTUYIAS-SFHVURJKSA-N 351.450 2.604 0 50 FFAA O[C@@H](COCc1ccco1)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 229513009 UMMWRGSNAYXUKJ-SJLPKXTDSA-N 351.830 2.884 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2)on1 55233347 FOUNKRONTUIUGF-UHFFFAOYSA-N 365.389 2.969 0 50 FFAA CS(=O)(=O)NCc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 118048421 RSOYXSAGBSGXGZ-SFHVURJKSA-N 373.478 2.935 0 50 FFAA CCCCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 20254729 QFUDQUHHAFFCQZ-UHFFFAOYSA-N 358.486 2.768 0 50 FFAA COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CCCN3)CC2)c1 67804665 LGTCECAFTUTFLU-GOSISDBHSA-N 354.454 2.543 0 50 FFAA Cc1n[nH]c(C)c1C[C@@H](C)N1CCC(n2cc(-c3ccccn3)nn2)CC1 20905644 NHROXXYFFGZHGQ-CQSZACIVSA-N 365.485 2.948 0 50 FFAA CCN(CC)c1ncccc1CNC(=O)c1cc(-c2cccn2C)[nH]n1 67872195 GXJXOZWXIPXGMV-UHFFFAOYSA-N 352.442 2.586 0 50 FFAA Cc1nc([C@@H](O)COc2ccccc2C)n(-c2ccc3c(c2)OCO3)n1 65394888 JJTVAEPOLDPVCX-HNNXBMFYSA-N 353.378 2.725 0 50 FFAA COc1cccc([C@H]2CNC(=O)c3nc(CCCN4CCCC4)[nH]c3C2)c1 65418774 ICJOVZLQOHEDBU-MRXNPFEDSA-N 368.481 2.516 0 50 FFAA CCn1cncc1CNC(=O)c1coc(COc2cccc(F)c2F)n1 67851260 XPKHSUKGATZIPP-UHFFFAOYSA-N 362.336 2.678 0 50 FFAA CCc1ncc(C(=O)N(Cc2scnc2C)C[C@@H]2CCNC2)s1 328627428 GCUWXOPFBHZMGI-GFCCVEGCSA-N 350.513 2.722 0 50 FFAA CCn1c(C2CCN(C(=O)CCCCc3ccccc3)CC2)n[nH]c1=O 67819054 MXHLQIPMYVBKAM-UHFFFAOYSA-N 356.470 2.710 0 50 FFAA c1ccc(-n2ncnc2[C@H]2COCCN2c2nc(C3CC3)ns2)cc1 329211532 HCUQOIJWFOKDIC-CQSZACIVSA-N 354.439 2.574 0 50 FFAA c1ccc(-c2nc([C@@H]3CCCN(CCN4C[C@@H]5CC[C@H](C4)O5)C3)n[nH]2)cc1 329495827 XDDHSNMTDMMUQL-QRVBRYPASA-N 367.497 2.514 0 50 FFAA Cc1ccsc1CN(C)Cc1cnc(S(C)(=O)=O)n1CC(C)C 12446923 GZMPDEWVIHXCNH-UHFFFAOYSA-N 355.529 2.945 0 50 FFAA CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc(C)cc2)n1 2804512 GPAXRFQXUBWZEB-UHFFFAOYSA-N 372.288 2.795 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cc3ccccc3O)CC2)OC1=O 72457681 DFAIXJFKFCMQML-OAHLLOKOSA-N 360.454 2.937 0 50 FFAA Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC[C@@H]2CNCCCO2)CC1 333776296 CZLJZSROCAXJCX-KRWDZBQOSA-N 370.497 2.744 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)ncc1C(N)=O 448779986 ICXFNFGNVKCPEC-CQSZACIVSA-N 357.841 2.990 0 50 FFAA CN(Cc1noc2c1CCCC2)c1nccc(-c2cc(C(=O)O)ccn2)n1 72480535 PDEZCERTDMIYEA-UHFFFAOYSA-N 365.393 2.740 0 50 FFAA Cc1ncn(-c2cc(N3CCN(C(=O)C4CCCCC4)CC3)ncn2)c1C 72437263 HMJIBWWSXQJNCC-UHFFFAOYSA-N 368.485 2.508 0 50 FFAA COc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](CC(=O)O)C2)c1 262692858 AKYSHCPCISWHCO-MRXNPFEDSA-N 370.405 2.755 0 50 FFAA COc1cccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1 376607500 YASADPQPRXMNRJ-QYZOEREBSA-N 367.449 2.804 0 50 FFAA Cc1ccc2c(c1)c(CNC(=O)C1(N3CCOCC3)CCCCC1)nn2C 219597105 LCQVMYOSQDKXGJ-UHFFFAOYSA-N 370.497 2.533 0 50 FFAA CCc1cccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)n2)c1 72446741 NCUPHLCBDYQJQB-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA CCN(Cc1c(F)cccc1F)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 242273599 YEHUEONJVLIBOP-HZPDHXFCSA-N 374.453 2.852 0 50 FFAA O=C(O)c1cc(-n2ncc3ccccc32)cc(S(=O)(=O)N2CCCC2)c1 71746612 WQNOGQTWWKAZFI-UHFFFAOYSA-N 371.418 2.508 0 50 FFAA CCn1cc(CN(C)S(=O)(=O)c2ccc(Br)cc2)c(C)n1 14226309 ZFXYVDWVILGKOD-UHFFFAOYSA-N 372.288 2.795 0 50 FFAA Cn1nccc1C1CCN(C(=O)Nc2ccc([S@](C)=O)c(F)c2)CC1 175866616 VZUXYOVIKNHVTR-VWLOTQADSA-N 364.446 2.708 0 50 FFAA CC(C)c1noc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)n1 223754961 XCZVMPXYXZFHMT-IBGZPJMESA-N 367.453 2.877 0 50 FFAA O=C(Nc1cc2n(n1)CCCC2)Nc1ccccc1CN1C(=O)CCC1=O 287176833 XPGJJHYHZCOMRR-UHFFFAOYSA-N 367.409 2.512 0 50 FFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCc1cnn(-c2ccccc2)c1 220466499 MZCNYODIRHDJRV-AWEZNQCLSA-N 365.389 2.685 0 50 FFAA Cc1cc2c(cc1C(=O)NCCc1nc(C)c3c(n1)CCCC3)OCCO2 223543493 LGDXGIHKJVGXAA-UHFFFAOYSA-N 367.449 2.716 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)N4CCOCC4)csc3C2)nc1 426618404 VTKPLMCHQFPPPT-UHFFFAOYSA-N 371.506 2.736 0 50 FFAA Cc1ccc2nc(COCC(=O)NC[C@@H](c3cccs3)N(C)C)[nH]c2c1 97570963 JDWAVCBIQKFOLN-INIZCTEOSA-N 372.494 2.869 0 50 FFAA CCc1ncc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cn1 91494135 ZTJHHZGFEMQCTI-UHFFFAOYSA-N 370.497 2.826 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)o1 96153797 MLZKZLWKVKRNPB-UHFFFAOYSA-N 355.402 2.780 0 50 FFAA OCCn1nc(C2CCOCC2)nc1[C@@H]1CCCCN1Cc1ccccc1 96150996 YZBNVGLIRLAAIK-IBGZPJMESA-N 370.497 2.892 0 50 FFAA CN1CCC[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc4c(c3)CCC4)C2)C1=O 91664222 TXBXUMQMZULKRC-QFIPXVFZSA-N 370.493 2.804 0 50 FFAA CCn1nc(-c2csc(C)n2)nc1CCn1cnc2ccccc2c1=O 95497136 KTZSSRDTQWJLHQ-UHFFFAOYSA-N 366.450 2.683 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(CO)cc1)C2 91526375 LZGIPBRQODDYGF-FXAWDEMLSA-N 364.445 2.556 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)on1 91434444 LPBPMYAHQHAAKB-UHFFFAOYSA-N 357.439 2.704 0 50 FFAA CC(C)c1noc([C@H]2CCCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)n1 95528880 BHLYOPILOYTFJN-OAHLLOKOSA-N 369.425 2.590 0 50 FFAA CCc1cc(N2CCN(Cc3nnc(-c4cccc(F)c4)o3)CC2)ncn1 244685560 ISKJBGLZWCSFNS-UHFFFAOYSA-N 368.416 2.550 0 50 FFAA O=C(c1ccc(-n2cncn2)nc1)N1CC[C@H](c2c(F)cccc2F)C1 184027175 TWVKOFNHUAWMMM-ZDUSSCGKSA-N 355.348 2.570 0 50 FFAA COCc1noc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)n1 864097311 OVCVLUXFAXRIBM-CQSZACIVSA-N 353.444 2.590 0 50 FFAA Cc1cc(NC(=O)NCCS(=O)(=O)CC(C)C)c(Cl)cc1F 299795554 MIWKYEMJUZJNRO-UHFFFAOYSA-N 350.843 2.980 0 50 FFAA O=C1Cc2cc(NC(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)ccc2N1 299789528 ZAIDMCRQMMMEQV-KRWDZBQOSA-N 366.421 2.789 0 50 FFAA CN(C[C@@H](O)c1ccccc1)C(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 299763479 WIEOLASOSJQNDP-MOPGFXCFSA-N 356.397 2.705 0 50 FFAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 270476054 DLGUGYZDMSKRMF-QZTJIDSGSA-N 366.465 2.748 0 50 FFAA COc1ccc2cc([C@@H](C)NC(=O)Cn3c(C)cc(C)nc3=O)ccc2c1 670470013 LGSHQTXVRKPRMV-OAHLLOKOSA-N 365.433 2.899 0 50 FFAA CC(=O)N1C[C@H](C(=O)N2CCC(F)(F)CC23CC3)Oc2ccccc21 1875297722 BLFURRLLUUXOFJ-OAHLLOKOSA-N 350.365 2.591 0 50 FFAA Cc1nc(C(=O)N(C)C2(C)CCCC2)nc(N2CC[C@@H](N(C)C)C2)c1C 1875300290 WOGHGCUNPHNKDD-MRXNPFEDSA-N 359.518 2.638 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCO[C@@H](C(F)(F)F)[C@@H]2C)cc1 1875302814 IASRROGWOIABIH-XHDPSFHLSA-N 356.344 2.627 0 50 FFAA COc1cc(-c2noc([C@@H]3CCc4nnn(C5CCCC5)c4C3)n2)ncn1 952893266 HHKVVHMCOKMTBX-LLVKDONJSA-N 367.413 2.514 0 50 FFAA CSCc1cc(NC(=O)C(=O)N[C@H](CO)c2ccco2)ccc1Cl 952876003 UFFCAKXCHUXIBQ-CYBMUJFWSA-N 368.842 2.584 0 50 FFAA C[C@@H]1C[C@H]1c1nc(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)n[nH]1 1875404689 QTMQVCOJWADUMN-VXNVDRBHSA-N 350.304 2.847 0 50 FFAA O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1C[C@@H](O)C12CCOCC2 887024672 WZIZIGYAWZQZIQ-HUUCEWRRSA-N 358.265 2.972 0 50 FFAA N[C@H](C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@@H]1CCCO1 888093056 DPVHOALSHRZGLJ-IRXDYDNUSA-N 361.829 2.759 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)c(C)o1 1565515092 LJRIUXQWTDVINU-WBVHZDCISA-N 353.422 2.668 0 50 FFAA Cc1ccc(-n2ccnc2SCC(=O)N2CCC(C(=O)O)CC2)c(C)c1 169878176 RUDLBKOKRYHYMM-UHFFFAOYSA-N 373.478 2.904 0 50 FFAA Cc1ccc(Cc2nnn(Cc3noc(-c4ccc(F)cc4)n3)n2)cc1 170606283 IXOSZXZZZBKQQG-UHFFFAOYSA-N 350.357 2.810 0 50 FFAA CCc1nnc([C@H]2CN(C(=O)NCc3ccc(Cl)cc3F)CCO2)o1 279607506 RSNUWVWVEABLHQ-CYBMUJFWSA-N 368.796 2.708 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CC[C@H]1CN(C(C)=O)C2 1073403768 DXDGHSRHHUSIKY-OCCSQVGLSA-N 351.834 2.823 0 50 FFAA CNC(=O)[C@H]1CCCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C1 172302804 PNAYSLFIONCSBF-HNNXBMFYSA-N 361.486 2.531 0 50 FFAA C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1c(F)cccc1Cl 188884101 UJKZGHFVZWLVSR-JTQLQIEISA-N 353.825 2.850 0 50 FFAA O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 190964203 GRLDYJXTZLJHDR-IACUBPJLSA-N 370.280 2.808 0 50 FFAA COc1cccc2c1CCN(C(=O)Nc1ccnn1C[C@@H]1CCOC1)CC2 193692738 BOAPAYCOBGUKLW-HNNXBMFYSA-N 370.453 2.561 0 50 FFAA C[C@H](OC(=O)c1nnc(O)c2ccccc12)c1nc(O)c2ccccc2n1 747615156 ZINUSIYNXIUIQD-JTQLQIEISA-N 362.345 2.902 0 50 FFAA CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cnc(Cl)s2)C1 779894444 ZYPQKLXVUMQFKY-AWEZNQCLSA-N 356.904 2.799 0 50 FFAA Cc1ccc(C2CCN(C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cn1 783043281 LCZAJPJDDCDLIZ-UHFFFAOYSA-N 363.425 2.777 0 50 FFAA O=C(c1ccccc1OC(F)(F)C(F)F)N1CCNC(=O)C12CCCC2 1506412772 OPDZXHWYPAFHRG-UHFFFAOYSA-N 374.334 2.808 0 50 FFAA O=C1CO[C@H](C(=O)NC2CCCCCC2)[C@@H](c2ccccc2Cl)N1 1529151800 MSUQZYFASQXHSU-SJORKVTESA-N 350.846 2.735 0 50 FFAA C[C@@H](C1CCN(CCCOCc2ccccc2)CC1)N1CCN(C)CC1 1529174566 VUIXGQDORVTYCL-FQEVSTJZSA-N 359.558 2.941 0 50 FFAA CC(C)CCOc1cccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1529119014 AKVGGJVEEBGFIJ-WIYYLYMNSA-N 355.482 2.937 0 50 FFAA COc1ccccc1OC(C)(C)C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529198916 PLEITMQKWDPVPX-IAGOWNOFSA-N 370.449 2.622 0 50 FFAA COC[C@H](C)NC(=O)c1c(N2CCCC2)noc1-c1ccc(OC)cc1 1704325426 LIDPYHXTZWNOAK-ZDUSSCGKSA-N 359.426 2.715 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704345002 SRORUCGUQAHGRX-XLIONFOSSA-N 364.449 2.655 0 50 FFAA CCOc1cc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)ccc1OCCn1ccnc1 1800413177 CPTDQUVAWYTONE-REPLKXPHSA-N 371.481 2.564 0 50 FFAA COc1ccc(-c2nc(CN3CCN(C)C4(CCOCC4)C3)c(C)o2)cc1 1775977428 GSPXAJBBGUIENQ-UHFFFAOYSA-N 371.481 2.955 0 50 FFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccnc3OC)C2)cc1F 11814372 YBAMHZXVVTVTQY-AWEZNQCLSA-N 372.396 2.973 0 50 FFAA Cc1ccccc1[C@H](CC(=O)NCCN1CCOCC1)c1ccccc1 19773110 QCMBKCTWDIZPGS-OAQYLSRUSA-N 352.478 2.965 0 50 FFAA COc1cccc(-n2cc(CNC(=O)c3cc(C)ncc3OC)cn2)c1 1857668549 MWSKRSRNXJZWFF-UHFFFAOYSA-N 352.394 2.523 0 50 FFAA O=C(c1ccccc1)N1CCC[C@@]2(CN(CCC(F)(F)F)CC[C@H]2O)C1 1857686331 RBRGVVUBLANADU-SJLPKXTDSA-N 370.415 2.928 0 50 FFAA C[C@@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)N1CCCCC1 1857701087 MDLZBYPBEUPEJZ-KRWDZBQOSA-N 366.509 2.889 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3ncc(C(=O)O)cc3Cl)C1)CC2 1857709023 ZZFFUAFMQMVXAS-GOSISDBHSA-N 374.828 2.722 0 50 FFAA C[C@@H](C(=O)N1CCO[C@@H](c2ncon2)C1)c1ccc(Br)cc1 332411632 ROPWQPDWVDLGSF-ZWNOBZJWSA-N 366.215 2.536 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cc1C 1875244684 ZFTAYQWEEBUEFL-IFMALSPDSA-N 369.461 2.884 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 238026382 VTVVTUKIAMDFHW-PKOBYXMFSA-N 370.424 2.980 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@H]2c2cnn(C)c2)C1 133459098 SSXVTUFEMVKEHW-SJORKVTESA-N 369.469 2.554 0 50 FFAA COCCCOC1CCN(C(=O)c2ccncc2Br)CC1 156290640 MJJMJVBSIPBHJG-UHFFFAOYSA-N 357.248 2.502 0 50 FFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1cncc(Br)c1 495161013 FKKLXMUICRXWDC-JYJNAYRXSA-N 355.276 2.596 0 50 FFAA Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)c1 162027504 QPTAKWHOKORLEL-FQEVSTJZSA-N 364.493 2.703 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)NCc3cc(C(F)F)on3)ccc2O1 921336796 XCMYXZRQRDAAMT-UHFFFAOYSA-N 358.366 2.804 0 50 FFAA Cc1c(C(=O)N2CC3(COc4ccccc4C3)C2)[nH]c2c1C(=O)CCC2 2100473148 APZHUERKGAAITR-UHFFFAOYSA-N 350.418 2.919 0 50 FFAA c1ccc2c(c1)CC1(CO2)CN(Cc2cnc(NC[C@@H]3CCCO3)nc2)C1 2100483438 UMKZZAYFKPPSDT-SFHVURJKSA-N 366.465 2.505 0 50 FFAA Cc1c(C(=O)NC2CCC(CS(C)(=O)=O)CC2)[nH]c2c1CCCC2 2325784678 BPJMYQYZWLXEQY-UHFFFAOYSA-N 352.500 2.535 0 50 FFAA COc1ccc(-c2nc(=NCC(F)(F)C3CCOCC3)o[nH]2)cc1OC 2325809787 MAPJJKFPDJQGFL-UHFFFAOYSA-N 369.368 2.650 0 50 FFAA CC(C)C(=O)N(C)C[C@@H]1CCCN(C(=O)C23CC(C)(C2)OC3(C)C)C1 2325866124 ARDKIMIDVRDNEJ-VMEOHVCESA-N 350.503 2.687 0 50 FFAA CC(C)CCC(=O)NC[C@H](C)CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867615 AFYAGXYPBNECHV-OOKSDGMUSA-N 351.535 2.554 0 50 FFAA O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1C[C@@H]1C(F)F 882737109 ZQKDMYYBUMDWIZ-JBLDHEPKSA-N 373.197 2.720 0 50 FFAA O=C(CCc1ccc(Cl)cc1)N1CCC[C@](O)(CN2CCCC2)C1 77455227 OBGCSUCKTXGHIA-IBGZPJMESA-N 350.890 2.722 0 50 FFAA CC(C)c1cc(C(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)n(C)n1 119116472 HJRJDSLXRMHGJE-OAHLLOKOSA-N 367.515 2.506 0 50 FFAA COC(=O)c1c(N)n(-c2cccc(C(=O)O)c2)c2nc3ccccc3nc12 636264 OMHDIPFTJIERSD-UHFFFAOYSA-N 362.345 2.641 0 50 FFAA COc1ccccc1NC(=O)CSc1nnc(-c2ccc(N)cc2)n1C 694140 MVQXMJWEGKDYCS-UHFFFAOYSA-N 369.450 2.804 0 50 FFAA Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1C 1139659 SEPVUXZKGRIWJR-UHFFFAOYSA-N 350.415 2.702 0 50 FFAA O=C(N[C@H](CSC(=O)c1ccccc1)C(=O)O)OCc1ccccc1 1626959 SGXFVAMPPOGQON-OAHLLOKOSA-N 359.403 2.940 0 50 FFAA O=C(O)CC[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)C(F)(F)F 1802364 MMJIZRQLHKWCBH-LURJTMIESA-N 365.782 2.723 0 50 FFAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 2876784 VZYKVRNUEFREEA-UHFFFAOYSA-N 350.871 2.992 0 50 FFAA Cc1cccc(OCCSc2nc3ccccc3n2C[C@@H](O)CO)c1 2929518 HUWDQBOSPUUUES-OAHLLOKOSA-N 358.463 2.869 0 50 FFAA CCOCc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 4670987 VLUINGQEJILAQG-INIZCTEOSA-N 364.467 2.588 0 50 FFAA CCn1ncnc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55387004 HGKPCAJRTGACCY-UHFFFAOYSA-N 351.410 2.624 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](N)C(=O)N(CCc1ccccc1)Cc1ccccn1 101943200 RMRIIZFJRGIZOZ-HXUWFJFHSA-N 363.465 2.693 0 50 FFAA C[C@H](Cn1cccn1)NC(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 55099819 JAJSIFKFNHPVHC-LLVKDONJSA-N 352.797 2.599 0 50 FFAA CCN(Cc1nccn1C)C(=O)c1ccc2sc3c(c2c1)CCNC3=O 219557319 LBTDMDHTEMSQHS-UHFFFAOYSA-N 368.462 2.583 0 50 FFAA CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 65362533 FVTDSRIQMWHXFZ-IRXDYDNUSA-N 352.500 2.542 0 50 FFAA Cc1noc(C)c1CN1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67803577 UNDOGNKLUXTQRJ-INIZCTEOSA-N 367.453 2.555 0 50 FFAA CCn1c(CC2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)n[nH]c1=O 65382991 KKYLOFZUXOSKAE-UHFFFAOYSA-N 356.470 2.611 0 50 FFAA Cc1cc(Cl)c(NCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1Cl 152164180 PXYSRURWKQHMMR-UHFFFAOYSA-N 370.280 2.795 0 50 FFAA COC[C@H]1CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 215721369 FCHCBWWLHAJQPU-FQEVSTJZSA-N 359.558 2.909 0 50 FFAA COc1cc2c(cc1CN1CCO[C@H](c3cccnc3)C1)OCCCO2 215568173 AAEHYKUQJQMPSU-FQEVSTJZSA-N 356.422 2.825 0 50 FFAA Cc1cc(C)n(C[C@@H](C)Nc2nccc(-c3cc(C(=O)O)ccn3)n2)n1 77472616 RYZWWJBLYHXZDV-GFCCVEGCSA-N 352.398 2.551 0 50 FFAA Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 126653415 QVOOPFGYBFBKJN-SJLPKXTDSA-N 355.482 2.717 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 173693936 TWCNIRPXXQSGEQ-HZSPNIEDSA-N 351.237 2.820 0 50 FFAA CN1C(=O)[C@@]2(CCCN(C(=O)c3cn4ccsc4n3)C2)c2ccccc21 72135591 IDQRWEDUMSYPNO-LJQANCHMSA-N 366.446 2.546 0 50 FFAA COc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1OC 368825569 OHROOIPKYAMQFD-INIZCTEOSA-N 354.450 2.671 0 50 FFAA O=C([C@H]1CCCc2n[nH]cc21)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 333263879 JEXDPLCEYJOPQC-ABSDTBQOSA-N 350.466 2.563 0 50 FFAA COc1ccc(Br)cc1/C=C/C(=O)N1CC[C@@H](N)C[C@@H]1C 237105545 LJMGLHFBKLKNOY-BUDROTRISA-N 353.260 2.809 0 50 FFAA CCOc1cc(Cl)ccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 262888170 HRGRWTMORAERHA-AWEZNQCLSA-N 355.818 2.596 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCN(c2nc3ccccc3s2)CC1 72470703 KMWTYUFYXUIZGF-UHFFFAOYSA-N 356.451 2.792 0 50 FFAA C[C@@H](CN1CCOCC1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 77460061 OUCIYDJWZHOYGV-HNNXBMFYSA-N 366.889 2.678 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)CCCC2)cc1 72158055 LPPKNWMBHPXMOV-LJQANCHMSA-N 358.438 2.560 0 50 FFAA COc1ccc(-c2nc(CN3CCC(=O)NC[C@@H]3C)c(C)o2)c(C)c1C 71771047 CFPRTRRYSCBHLA-LBPRGKRZSA-N 357.454 2.986 0 50 FFAA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 48112456 DBUUQKBPCFRCQV-OAHLLOKOSA-N 370.453 2.758 0 50 FFAA COc1cccc(CC(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1 223608254 UOPNDLWYLIRKOO-RWWKDMOOSA-N 367.445 2.801 0 50 FFAA COc1ccc2c(ccn2CC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 40268561 AHUWDHBQFDKVHT-AWEZNQCLSA-N 358.423 2.992 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccc3ncccc3c1)CC2 426501866 ONVZHBDYFFOTAY-SESVDKBCSA-N 356.466 2.756 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC(Sc3ccccc3C)CC2)c(=O)n1 82137090 CBORKQRDQOSDBV-UHFFFAOYSA-N 371.506 2.952 0 50 FFAA CC(C)Nc1ccnc(N2CCC3(CC2)Nc2ccccc2NC3=O)n1 82121703 BNCBMZZPTNDWQN-UHFFFAOYSA-N 352.442 2.700 0 50 FFAA O=C(NCCCn1ccnn1)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 426740599 TZGGFMASRBVVPR-UHFFFAOYSA-N 364.331 2.507 0 50 FFAA Cn1c(CC2CCNCC2)nnc1SCCOc1ccc(F)cc1 82162150 OWIQJTCKKXOENQ-UHFFFAOYSA-N 350.463 2.667 0 50 FFAA Cc1ccccc1[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1ccncc1 426359117 SRSQVXWIVGIRHA-QGZVFWFLSA-N 352.438 2.577 0 50 FFAA COc1cccc(CCC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c1 82098522 KGZUCEXVJRJGLQ-UHFFFAOYSA-N 352.434 2.812 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(-c2cncnc2)cc1 426503614 UUNHCKLHVRSAPJ-OAQYLSRUSA-N 373.460 2.933 0 50 FFAA O=C(c1cc(F)ccc1F)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95366592 BMAPRQDOVFFPMK-AUUYWEPGSA-N 359.328 2.668 0 50 FFAA O=C(c1ccc(C[C@H]2CCCNC2)cc1)N1CCN(c2cccnc2)CC1 91793635 FQLKVZCPCYKYSB-LJQANCHMSA-N 364.493 2.586 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CC1=O 91626003 NJIYRWFPIATXNW-GFCCVEGCSA-N 350.846 2.577 0 50 FFAA COCc1cc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)n[nH]1 95372405 KNZXWPAMIBLNJH-UHFFFAOYSA-N 361.405 2.801 0 50 FFAA CN1CCC[C@@]2(CCN(Cc3sc(N4CCCC4)nc3Cl)C2)C1=O 91756467 JSOOYFBUHDCVCK-KRWDZBQOSA-N 368.934 2.841 0 50 FFAA O=C(CN1CCCCCC1)N1CC[C@@]2(CCCN(C3CCCC3)C2=O)C1 91416596 TXOGAMAICBJINI-NRFANRHFSA-N 361.530 2.646 0 50 FFAA Cc1c(Cl)cc(C(=O)N2CCN(Cc3nccn3C)CC2)cc1Cl 91986607 NXARYDRSAOVTPX-UHFFFAOYSA-N 367.280 2.993 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)N2CCN(c3cccc(O)c3)CC2)c1 95503254 PHKWATKZWGTNMD-UHFFFAOYSA-N 369.421 2.841 0 50 FFAA Cc1ccc2nc(COCC(=O)N3CCC[C@](CO)(CC4CC4)C3)[nH]c2c1 91351131 GYPRFWXPEBOTER-NRFANRHFSA-N 371.481 2.789 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)cc1-n1cnnn1 181291098 IEPKPQWPDJZPFE-QGZVFWFLSA-N 363.421 2.787 0 50 FFAA Cc1cccc(CN(C(=O)C[C@H]2C(=O)N(C)C(=O)N2C)C2CCCCC2)c1 97698703 ZKHHDOSSDWQVIQ-SFHVURJKSA-N 371.481 2.939 0 50 FFAA O=C(NCCC(=O)N1CCCC1)Nc1ccc(C(=O)OC2CCCC2)cc1 96165727 MUGSXCYMHVZHJX-UHFFFAOYSA-N 373.453 2.920 0 50 FFAA Cc1[nH]c2c(c1C(=O)N(C)Cc1nc(-c3ccncc3)no1)C(=O)CCC2 91663439 POAGCSMHEDSWMV-UHFFFAOYSA-N 365.393 2.559 0 50 FFAA CCn1ccnc1[C@H]1CCCN(Cc2cc(=O)n3cc(C)sc3n2)C1 91713992 JTWZVAYAQNUPHL-AWEZNQCLSA-N 357.483 2.660 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCCCC1)Nc1cncc(F)c1 96140937 YWFNHWMIPUNXNU-UHFFFAOYSA-N 350.438 2.767 0 50 FFAA CCCCOc1ccccc1C(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244690872 IYKWSVBSTWKJFC-ZWOKBUDYSA-N 360.498 2.734 0 50 FFAA NC(=O)c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 299693726 VGGAUZYVYKDXRY-UHFFFAOYSA-N 361.449 2.950 0 50 FFAA COCCN(Cc1ccc(C)s1)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 534592204 QYBABAZYKHYYED-GFCCVEGCSA-N 350.488 2.877 0 50 FFAA Cc1cccc2[nH]nc(-c3ccc(C(=O)NC[C@](C)(O)CCCO)cc3)c12 534637808 FKGAARWMZCQLOW-OAQYLSRUSA-N 367.449 2.792 0 50 FFAA CC(C)(C)N1C[C@H](CNC(=O)c2ccc(Cn3cccc3)cc2)CC1=O 299765258 LALPORDHJHDMCQ-KRWDZBQOSA-N 353.466 2.913 0 50 FFAA CC(C)N1CCO[C@H](CC(=O)NCCC2CCN(C3CCCC3)CC2)C1 827812461 QHDNZMWFJNCYBF-HXUWFJFHSA-N 365.562 2.647 0 50 FFAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C/C=C/c1ccc(F)cc1 864928957 TWNWDZWIILOCCY-CWDCEQMOSA-N 356.401 2.805 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2nc[nH]c2C(C)(C)C)C3)o1 952887161 YMYFQKWYDKDZNH-BUXKBTBVSA-N 357.458 2.847 0 50 FFAA COc1ccc2[nH]nc(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)c2c1 1875283645 YSTNUSILRLGZSR-UHFFFAOYSA-N 367.409 2.852 0 50 FFAA CC[C@@H](C(=O)NCc1nc(C(C)(C)O)n[nH]1)c1cccc(C(F)(F)F)c1 1875297234 HWGSERCWWYXCKY-GFCCVEGCSA-N 370.375 2.861 0 50 FFAA O=C([C@@H]1CC(c2ccncc2)=NO1)N1CC[C@H](C(F)(F)F)C(F)(F)C1 1875396498 JTJRREKGWMAPGD-RYUDHWBXSA-N 363.286 2.621 0 50 FFAA C[C@@H](NC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1cc(C(F)(F)F)n[nH]1 1875320839 MPFBCJNVRQOBJO-RKDXNWHRSA-N 368.315 2.775 0 50 FFAA CC(=O)N1CC2(CCN(C(=O)c3ccc4n[nH]c(C)c4c3)CC2)C[C@@H]1C 1875360276 DJJCLGJQQFDMHO-ZDUSSCGKSA-N 354.454 2.734 0 50 FFAA CCc1ccc(F)cc1C(=O)NCC1(NC(=O)c2cncc(O)c2)CCC1 1875331536 LWGHBYHIXPOGGK-UHFFFAOYSA-N 371.412 2.571 0 50 FFAA C[C@H]1CCCCN1C1CN(S(=O)(=O)Cc2ccc(Cl)cc2F)C1 1506395938 JXRQKZLZZQCKLC-LBPRGKRZSA-N 360.882 2.868 0 50 FFAA Cc1ccc(N2CC[C@H](CNC(=O)CCN3CCCCCC3=O)C2)cc1 952985305 GIRKIIUOWVGSTB-GOSISDBHSA-N 357.498 2.730 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(c3nc4ccccc4s3)C2)ccn1 886050485 TYYWAEASAXLZQC-INIZCTEOSA-N 368.462 2.985 0 50 FFAA CCc1ccc(CCC(=O)NCc2ccc(CN3CCOCC3)o2)cc1 170595035 JOBGYSWHWWQGOX-UHFFFAOYSA-N 356.466 2.923 0 50 FFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F 170620544 LLQOTXOBMGFFMF-GFCCVEGCSA-N 360.426 2.886 0 50 FFAA CCn1nccc1CN(C)c1nn2c(C(F)(F)F)nnc2c(C)c1C 225649222 KADLWNSNSMCZJB-UHFFFAOYSA-N 353.352 2.613 0 50 FFAA O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)OCCO2 187663167 POYZMIIOWITRHH-LRDDRELGSA-N 359.344 2.671 0 50 FFAA CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccccc2)CC1)N1CCCC1=O 195185776 DJVCUTJUCLEZGT-NRFANRHFSA-N 371.525 2.662 0 50 FFAA Cc1nc2cc(C(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)ccc2s1 1704338315 QTQXIRMMOXSJPD-APWZRJJASA-N 373.478 2.616 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)Cc3cccnc3)CC1)OCC2 1704300662 TZGBDBHFINZKNJ-UHFFFAOYSA-N 352.434 2.723 0 50 FFAA COc1cnc(N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)nc1 1704315642 NVOHYWYJBPRPPK-UHFFFAOYSA-N 371.437 2.571 0 50 FFAA Cn1cc(CN(CCO)CCO)c(-c2ccc(C3CCCCC3)cc2)n1 12003784 JDOJZJKTQVBQIN-UHFFFAOYSA-N 357.498 2.921 0 50 FFAA O=C(NC1CCCCC1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1 12385560 GKZXXNYLKBDOMI-QGZVFWFLSA-N 361.530 2.548 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccccn3)n[nH]2)c1 12433422 ZQBBKULJTPWJTE-UHFFFAOYSA-N 350.378 2.516 0 50 FFAA CC(=O)N1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 13323111 JXDMYPQDWUGGNO-UHFFFAOYSA-N 363.889 2.556 0 50 FFAA CCOC(=O)CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 19782067 QPODKVVXBDMJSB-UHFFFAOYSA-N 370.764 2.681 0 50 FFAA Cc1cc(C)cc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c1 19848486 QCJIJKWFNCOLHC-OAQYLSRUSA-N 354.494 2.861 0 50 FFAA Cc1nc(N2CCN(C(=O)Cc3cccs3)CC2)cc(C(F)(F)F)n1 169772319 HZSJLCOIGVQCDL-UHFFFAOYSA-N 370.400 2.757 0 50 FFAA CC1CCN(CC(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)CC1 1857679079 FLZPATIVXUPZNP-NNMXDRDESA-N 370.493 2.795 0 50 FFAA O=C(c1cccc2nn[nH]c12)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857708068 SQEUTECWAPARGA-UHFFFAOYSA-N 358.405 2.589 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)Cc1ccc(O)cc1)CC2 1857709676 LKBUPWNBNKXFEH-UHFFFAOYSA-N 361.445 2.963 0 50 FFAA O=C(CCCc1c(F)cccc1F)NC[C@@H](C(=O)O)C1CCOCC1 848878612 HXKVRLXPKMFIOE-CQSZACIVSA-N 355.381 2.531 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@@]3(CCCNC3=O)[C@H]2C)cc1 1875240865 IQIXUDJYYPGIQS-IERDGZPVSA-N 368.481 2.762 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(C(=O)CCc3ccc(OC)cc3)CC[C@@H]21 216900487 RSDROFNTRFCTBE-MJGOQNOKSA-N 358.482 2.877 0 50 FFAA CCc1cc(N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)n2ncnc2n1 742419833 PJSFXADZUMSWIW-MRXNPFEDSA-N 350.426 2.603 0 50 FFAA C[C@@H](c1nnnn1C1CC1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 248836124 JVZIZADMHPOTNB-ZUZCIYMTSA-N 351.813 2.935 0 50 FFAA COc1ccc(CNS(=O)(=O)CC(C)(C)OC)cc1OC1CCCC1 809814867 DSFMAXHJSYMKBH-UHFFFAOYSA-N 371.499 2.861 0 50 FFAA COc1nc2ccc(NC(=O)Cc3cc(=O)n(CC(C)C)[nH]3)cc2s1 824852873 QAWGOMUCMKYERI-UHFFFAOYSA-N 360.439 2.632 0 50 FFAA C[C@@H](C(=O)N1CC[C@@]2(CCCN2C(=O)c2cnco2)C1)c1ccccc1 2325871713 WFEVIPBGECLMQB-QRWLVFNGSA-N 353.422 2.685 0 50 FFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O 812895 MDAFSWRNBQNJQH-GOSISDBHSA-N 368.389 2.772 0 50 FFAA CC(C)CN1C(=O)c2ccc(NC(=O)COc3ccccc3)cc2C1=O 1122520 BWSTUVSGDRPGNR-UHFFFAOYSA-N 352.390 2.956 0 50 FFAA COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 2630675 KRXKKQGPOZIWSS-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 6726761 CMRMAQFDMFBWPC-DLBZAZTESA-N 362.857 2.651 0 50 FFAA Cc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c(C)c1 8368982 YEHWXFBNHXSLEQ-INIZCTEOSA-N 360.479 2.947 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)oc1C 225533182 MMOYLWYGADQXKO-CQSZACIVSA-N 366.462 2.832 0 50 FFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 55036826 AEXADWQMWQODRK-IBGZPJMESA-N 373.497 2.608 0 50 FFAA Cc1csc2ncnc(N3CCC[C@H](Cn4cc(C(C)(C)O)nn4)C3)c12 63855548 RLYDELHLKLXCKA-ZDUSSCGKSA-N 372.498 2.735 0 50 FFAA CCCNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 102534278 SESBIQWHBMTZJA-VIFPVBQESA-N 364.837 2.789 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)c1ccc(CO)o1 67725549 QBIGYAUMLSRGNZ-UHFFFAOYSA-N 354.362 2.898 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1nnc2ccccn12 20737613 PTXQGXFZEGJIQU-AWEZNQCLSA-N 352.394 2.975 0 50 FFAA COc1ccc(-c2nc(CN3CCNC(=O)C3)c(C)o2)c2ccccc12 67676279 LYOPUCNWHHFFPR-UHFFFAOYSA-N 351.406 2.744 0 50 FFAA CCNC(=O)c1ccc(NC2CCN(CCc3ccccc3)CC2)nc1 171973273 FMJIJTDCWRASGO-UHFFFAOYSA-N 352.482 2.950 0 50 FFAA O=C1C[C@@H](c2cccc(-n3cccn3)c2)c2cnn(Cc3cccnc3)c2N1 65458163 HIOAOHYVAPXMNM-SFHVURJKSA-N 370.416 2.986 0 50 FFAA O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 349761257 SBPVJMLIQVSKPI-OAHLLOKOSA-N 356.407 2.657 0 50 FFAA Cc1cccc(-n2cc(CN3CCN(c4ccc(Cl)nn4)CC3)cn2)c1 65394811 FXYLDELXYFSRJJ-UHFFFAOYSA-N 368.872 2.946 0 50 FFAA CCOc1ccccc1CNCc1cccnc1N1CCCN(C)CC1 11763677 WHWYJYZFMGFYHJ-UHFFFAOYSA-N 354.498 2.912 0 50 FFAA COCCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-n2cccn2)cc1 77428992 SSRDTDCWSCPTDC-KRWDZBQOSA-N 363.483 2.842 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CCN(c3cc(C)nc(C)c3)CC2)c1 77503553 QJQGVVJRQZLNSW-UHFFFAOYSA-N 369.465 2.607 0 50 FFAA COc1ccc(OC)c([C@H](C)NC(=O)c2nn3cccnc3c2Cl)c1 2793851 FLFDUBNCGLROGT-JTQLQIEISA-N 360.801 2.891 0 50 FFAA CC[C@@H]1CCCN1C(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1 72477990 DFJSNUYCNLBAJJ-CQSZACIVSA-N 368.437 2.924 0 50 FFAA O=C([C@@H]1CC=CC[C@H]1c1nc(Cc2cccc(F)c2)no1)N1CCOCC1 278986377 KOOZOAQTIKEUQV-IAGOWNOFSA-N 371.412 2.708 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)NC[C@](C)(O)C2CCCCC2)CC1 252494652 OAZDFUFSZVUOGO-FQEVSTJZSA-N 367.534 2.608 0 50 FFAA O=C(CCn1cccn1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 123389372 WWEOEAWRBUWRDV-LSDHHAIUSA-N 353.344 2.627 0 50 FFAA CCc1cc(NC[C@H]2CCCN(C(=O)C3CC3)C2)n2nc(C)c(C)c2n1 72429956 GFYPBNOGZFKKPP-OAHLLOKOSA-N 355.486 2.969 0 50 FFAA Cn1cc(CN2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cn1 71753414 PQMVXCQBTVAUBE-NSISKUIASA-N 358.436 2.761 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCN(c2ccc(O)cc2)CC1 131831041 TUXUXCXWMAXWOL-UHFFFAOYSA-N 355.419 2.785 0 50 FFAA O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1coc(C2CCCCC2)n1 332721539 GEFPMMWMTIRTBH-HSRKWLRPSA-N 368.477 2.961 0 50 FFAA CC(C)NC1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 152453666 PJELDSUTVVQKBV-QGZVFWFLSA-N 362.493 2.967 0 50 FFAA CC(C)c1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)nn1C(C)(C)C 236881441 ORYCTYLHCINCMT-AWEZNQCLSA-N 365.474 2.857 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C1 366518264 ICKHRYAMAZAYJH-IBGZPJMESA-N 365.543 2.675 0 50 FFAA Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CCCO4)cc3C2=O)c1 155742571 JNVBOECDDSCECA-UHFFFAOYSA-N 350.374 2.882 0 50 FFAA COc1cccc(C2(C(=O)N3CC[C@@](CO)(c4ccccc4)C3)CC2)c1 368273484 MVISUWXLDKPQQT-OAQYLSRUSA-N 351.446 2.889 0 50 FFAA Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC3(C1)Oc1ccccc1O3)CCC2 377377957 JEIRHMFILSKDDU-OAHLLOKOSA-N 368.437 2.652 0 50 FFAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 377835288 SGAVYUMMKBVXJP-KRWDZBQOSA-N 362.311 2.653 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)NCc3nc(-c4ncccn4)no3)c2c1 77323210 BCXVIGVVPJCASD-UHFFFAOYSA-N 360.377 2.622 0 50 FFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 219031427 JSXKFVFEOIVPOE-INIZCTEOSA-N 352.394 2.748 0 50 FFAA CCN(Cc1ccccn1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 72145506 UXHVMYAROVZZFG-UHFFFAOYSA-N 352.394 2.940 0 50 FFAA COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 242178784 XAVVBRCJNXXKAX-IOASZLSFSA-N 357.385 2.688 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)CC[C@]1(CCC(=O)O)CCC(=O)N1 223095995 FRAOCRBCDOCDBI-SFHVURJKSA-N 366.845 2.592 0 50 FFAA O=C(NCC(=O)N1CCCCC1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280259349 UBPMYBSMBHRBSS-HOTGVXAUSA-N 356.470 2.809 0 50 FFAA Cc1csc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 45912126 SDQPNDSMQQMXFS-GFCCVEGCSA-N 363.870 2.817 0 50 FFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 82097086 FOHPSIDRCVMSOR-IBGZPJMESA-N 364.453 2.857 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 91439919 WWJOEAXKHGMWNJ-OAHLLOKOSA-N 353.466 2.763 0 50 FFAA Cn1c(Cn2cccn2)nnc1C1CCN(C(=O)CC2CCCCC2)CC1 91548360 IPEWLVZCYGJWIK-UHFFFAOYSA-N 370.501 2.736 0 50 FFAA CC(C)Cn1cnc(S(=O)(=O)N2C[C@H](C)CN(C)c3ccccc32)c1 175029507 FSMLBMVOSNOBBV-OAHLLOKOSA-N 362.499 2.820 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)CC2CCN(C(C)C)CC2)n1 95372458 VKRPJOMCXUFFQO-UHFFFAOYSA-N 358.408 2.931 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c2c(C)nn(C)c2n1 95372593 OJZKSSHUFBIEPN-OAHLLOKOSA-N 364.449 2.956 0 50 FFAA CC[C@H](C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1)n1cccn1 91444800 SNHMKAHREPSZDH-MRXNPFEDSA-N 356.470 2.970 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1 92037348 GKNAMJJTKVTPHM-SFHVURJKSA-N 367.449 2.673 0 50 FFAA Cc1nc(-c2ncc(C(=O)NCCOCc3ccccc3)c(O)n2)cs1 91943953 KAOJMNWJQLZWGO-UHFFFAOYSA-N 370.434 2.561 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(CC(=O)NCc3ccccc3C)CC2=O)cc1 91951439 OODDCRHUDXVDOT-GOSISDBHSA-N 365.477 2.657 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccc(N(C)C)nc2)c2cccnc12 97528880 UUPSHFWOVLIPEK-UHFFFAOYSA-N 350.422 2.977 0 50 FFAA COCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)o1 91416427 WNMIPLKIJCBQPW-DOTOQJQBSA-N 355.438 2.558 0 50 FFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91518913 GPZFZVVLTKMDEX-QGZVFWFLSA-N 362.433 2.669 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)C[C@H]1c1ccncc1 91943756 YUDCHQCYYURCPS-ZWKOTPCHSA-N 354.454 2.838 0 50 FFAA Cc1ccc(CN(C)C(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)s1 244690855 IYEUDXSQVMDEGT-AWEZNQCLSA-N 366.508 2.870 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN1CCN(C)[C@@H](c2ccccc2)C1 244741992 OAEXESNIENBYKZ-HXUWFJFHSA-N 366.465 2.572 0 50 FFAA O=C(Nc1nc2c(s1)COCC2)N1CCCN2c3ccccc3C[C@@H]2C1 290463036 PYNZZULEAYDQQU-CQSZACIVSA-N 370.478 2.885 0 50 FFAA C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN1C(=O)CN(C)C1=O 292435529 UZTFKWVFLVGJLI-INIZCTEOSA-N 365.433 2.670 0 50 FFAA Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 292684885 KOAYMASUHVIZBJ-SNVBAGLBSA-N 361.345 2.810 0 50 FFAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]2[C@]2(C)CCC(=O)C[C@]12O 257350585 YPNLDFGCFUFMAG-HUQQSZEBSA-N 362.466 2.824 0 50 FFAA Cc1cc(CN(C)C(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)no1 534668906 YESADJVEAGISKX-UHFFFAOYSA-N 351.410 2.778 0 50 FFAA COc1ccccc1OC1CN(C(=O)NCc2cccc(CN(C)C)c2)C1 534587823 FIWMNOWNBQCERJ-UHFFFAOYSA-N 369.465 2.730 0 50 FFAA CCCc1cc(-c2ccc(C(=O)N3CC[C@@H](NC(C)=O)C3)cc2)nc(C)n1 534651148 ZHOAIEFJSIPNPI-LJQANCHMSA-N 366.465 2.755 0 50 FFAA C[C@H](O)c1cccc(-c2ccc(C(=O)NCCCN3CCCC3=O)cc2)n1 534632437 AHUSJCWEHRCKNZ-HNNXBMFYSA-N 367.449 2.544 0 50 FFAA COc1ccc(OCCCN)c(C(=O)N2CCC(CSC)CC2)c1 299774356 HGFPMDBOTYJRFK-UHFFFAOYSA-N 352.500 2.638 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2CCOC[C@@H](CN(C)C)C2)c1 299765705 QFXXKEXIYUARBV-SFHVURJKSA-N 350.528 2.573 0 50 FFAA CN(CC(=O)NC[C@H](c1ccccc1)N1CCCCC1)Cc1ccccn1 299780196 RXKKWKMTVRPJBF-OAQYLSRUSA-N 366.509 2.857 0 50 FFAA CCN(Cc1ccncc1)C(=O)N[C@@H]1CCCN(C(=O)c2cccs2)C1 584900129 WLRGUGRDBMWRNC-MRXNPFEDSA-N 372.494 2.979 0 50 FFAA CC(C)Oc1cccc(CCNC(=O)NC2(C(N)=O)CCCCCC2)c1 584887896 QRVYLTYFSQRMNV-UHFFFAOYSA-N 361.486 2.894 0 50 FFAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1n[nH]c2c1COc1ccccc1-2 888090477 BTKFKMTZEVUYID-PBHICJAKSA-N 366.465 2.963 0 50 FFAA Cc1nc[nH]c1CN1CC[C@@H]2N(Cc3cccs3)CCC[C@@]2(CO)C1 1565507113 CPTBUVOJNLWJAG-OALUTQOASA-N 360.527 2.629 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccn1)c1coc2ccccc12 1565527872 IFVCSAVMBODVEQ-HKUYNNGSSA-N 352.390 2.932 0 50 FFAA NC(=O)N1CCC[C@H]1C(=O)NCC1(c2cccc(Cl)c2F)CCCC1 191222980 YUIZJJSMUBHUIL-AWEZNQCLSA-N 367.852 2.950 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(C(=O)O)c3)C1)CC2 1704303363 HXRXCMMENUNCNE-HXUWFJFHSA-N 351.406 2.603 0 50 FFAA C[C@]1(O)CCOC2(CCN(C(=O)c3cc(O)nc4cc(F)ccc34)CC2)C1 1704301240 QKYYPQXFMYIYPO-IBGZPJMESA-N 374.412 2.616 0 50 FFAA CC(C)(C)OC(=O)N1CCNC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 110914950 UCOMWFAVVZADAG-IBGZPJMESA-N 369.506 2.987 0 50 FFAA in-vitro Cc1nc(C)c(-c2nc([C@@H]3CCCN(C)C3)nn2-c2cnn(C)c2)s1 1772815395 KSRLYQAOZQUEPG-CYBMUJFWSA-N 357.487 2.550 0 50 FFAA O=C(C1CC1)N1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 11880316 FYLZUWAXLGMBIK-QAPCUYQASA-N 356.495 2.914 0 50 FFAA COc1ccc(OC[C@@H](O)CN(C)C)c(CNC2CCCCCC2)c1 12000034 BSVVEPKSAWEVLG-SFHVURJKSA-N 350.503 2.809 0 50 FFAA Cc1ccccc1N1CCN(c2ncccc2CNC[C@H]2CCOC2)CC1 12304878 ZGUJGEQCUGAQOV-LJQANCHMSA-N 366.509 2.843 0 50 FFAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 12554830 LJKQKDYVDPAQFF-HNNXBMFYSA-N 357.429 2.984 0 50 FFAA CSCC(=O)N1CC[C@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12711257 LMRUFUAXOZGGCD-GOSISDBHSA-N 368.449 2.669 0 50 FFAA CCC(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 13331571 BQSDGIUMNNAHAS-UHFFFAOYSA-N 352.500 2.573 0 50 FFAA CC(C)CN[C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 14542758 JQJKAFGTQULMMN-KRWDZBQOSA-N 354.498 2.795 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C(=O)c1ccoc1 15071280 KDMAZBNBGHCCMB-KRWDZBQOSA-N 350.378 2.709 0 50 FFAA Cc1cccc(-c2ncc(CN3CCN(CC(C)C)[C@@H](CCO)C3)cn2)c1 19789865 UEYDYVPXPXTTNR-NRFANRHFSA-N 368.525 2.977 0 50 FFAA NS(=O)(=O)c1ccc(CCNCc2cccc(Cl)c2Cl)cc1 19872019 VKFBIRWRDUTIPR-UHFFFAOYSA-N 359.278 2.973 0 50 FFAA COC(=O)c1cccc(-c2nccn2Cc2ccc(CN(C)C)cc2)n1 1857672377 UPFBWXTTXQALGN-UHFFFAOYSA-N 350.422 2.842 0 50 FFAA CC[C@@H](C)Oc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2nnc(C)o2)ccn1 779855781 OALIXJUZWHFCIA-KCPJHIHWSA-N 360.414 2.553 0 50 FFAA COc1ccccc1[C@@H](C)CC(=O)N1CCN(C[C@H]2CCCCN2C)CC1 264366037 BWXKHQJIKNYRRZ-RBUKOAKNSA-N 373.541 2.817 0 50 FFAA Cc1ccc(C)c(OCC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)c1C 1704336846 SBZDVSJLITXMKA-HXUWFJFHSA-N 361.482 2.913 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccccc2C(F)(F)F)C[C@@H]1O 1704329011 RDYGQWVTNGIZFS-BBRMVZONSA-N 359.344 2.783 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC1CCN(c2ccncc2)CC1 858008754 XYSXTNODRYPQBF-QFBILLFUSA-N 355.486 2.541 0 50 FFAA Cc1nc2nccnc2cc1-c1cccc(CN2CCCS2(=O)=O)c1 1875267541 LZZNBEJRTCTAPK-UHFFFAOYSA-N 354.435 2.536 0 50 FFAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1875253993 VUDBYZRARYRYEE-QWRGUYRKSA-N 370.350 2.868 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)c1 1875395595 GFOMQIZEIPQARG-MHECFPHRSA-N 350.484 2.830 0 50 FFAA Cc1nocc1CN1CC[C@](C)(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C1 1875407086 SKOXFAGLMQXHNJ-HDAAZOAOSA-N 351.450 2.650 0 50 FFAA CC(C)(C)O[C@H]1C[C@H](NC(=O)c2snc(O)c2Cl)C12CCOCC2 887200360 COEVPFBTCNYAEW-UWVGGRQHSA-N 374.890 2.985 0 50 FFAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2100555100 LXVWBSUPULTAEX-YRISNDGFSA-N 351.450 2.853 0 50 FFAA O=C(NCc1ccc(O)cc1Cl)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 2325816903 NNWUTADEYARPCB-QGZVFWFLSA-N 371.824 2.897 0 50 FFAA O[C@@H](CNC[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccn1 2325861682 XOLSQUGGWDVUTE-ZHRRBRCNSA-N 361.445 2.874 0 50 FFAA CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccccc2)cc1 1133461 IRVRRINOZLBPMZ-UHFFFAOYSA-N 357.435 2.927 0 50 FFAA COc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 1165964 XYQGGVSBOITRID-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA COC(=O)N[C@@H](OC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl 2141101 NQVJHVTVVJUFDG-JTQLQIEISA-N 356.589 2.904 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CC[C@@H](c3ccccc3)[C@H](O)C2)o1 2356146025 OFHMKPKSVFIDAW-DLBZAZTESA-N 370.478 2.910 0 50 FFAA Cc1nnc(CN2CCC[C@]23CCCN(CCc2ccccc2)C3=O)o1 2356151224 YDPVXYUIKSTFJQ-FQEVSTJZSA-N 354.454 2.578 0 50 FFAA O=C([C@H]1CCn2nccc2C1)N1CCC2(CC1)OCCc1ccsc12 2356158727 XFIYYWFQLNSKSY-HNNXBMFYSA-N 357.479 2.598 0 50 FFAA O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755786 ZORAUBKIPMMSHQ-GFCCVEGCSA-N 368.455 2.927 0 50 FFAA C[C@@H](CCCN)NC(=O)C(=O)Nc1ccccc1CN(C)C1CCCCC1 415765424 VIGQDXNWQXWMAV-INIZCTEOSA-N 374.529 2.633 0 50 FFAA CSc1ccccc1NC(=O)CCC(=O)NC[C@H]1CCCC[C@H]1O 55359149 XYAKRZIVUGHYNV-UKRRQHHQSA-N 350.484 2.795 0 50 FFAA C[C@@H]1CN(CCOCCOc2cccc(Br)c2)C[C@@H](C)O1 20167140 FLXJVWILFSFRFZ-ZIAGYGMSSA-N 358.276 2.954 0 50 FFAA O=C(CCn1cncn1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708521 SYXUYPMXMWBCBQ-AWEZNQCLSA-N 355.225 2.575 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3cc(Cl)ccc3F)CC2)no1 171759282 MAVKUHPPBWYVMB-UHFFFAOYSA-N 352.797 2.519 0 50 FFAA CCCc1cc2c(=O)n(NC(=O)c3cnn(CC)c3C)c(C)nc2s1 2782465 OJTIUMYBWKDXBX-UHFFFAOYSA-N 359.455 2.628 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1 72172907 ZNCLMYUKSHSGKI-ZDUSSCGKSA-N 353.426 2.761 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 72128271 AHPXNSOWRMJMFT-LBPRGKRZSA-N 364.396 2.552 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)c1 72429604 SMQYOXODMXDAIS-QGZVFWFLSA-N 369.465 2.555 0 50 FFAA Cc1cccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 72117519 JLCOUYFTMKDBBD-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccncc3)CC[C@H]2N1CCc1ccccn1 72476703 VUNAZJDJXDLGTJ-AZUAARDMSA-N 350.466 2.532 0 50 FFAA O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1C[C@@H]1c1c(F)cccc1F 363539764 OQNCFHORAUTQAD-KBPBESRZSA-N 354.360 2.965 0 50 FFAA COc1cc(Cl)cc(CN2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)c1OC(C)C 216072484 NZTCAWBYMJAEBX-GANFFNEQSA-N 369.889 2.699 0 50 FFAA CCOc1ccc2cc(C(=O)N3CC(C)(C)O[C@@]4(CCOC4)C3)[nH]c2c1 366563421 FVKVCQIYMVDAPO-FQEVSTJZSA-N 358.438 2.977 0 50 FFAA CCOc1ccc(CCNC(=O)[C@@H]2CCn3ccnc3C2)cc1OCC 155777816 WDIZDHZUKAWUSG-MRXNPFEDSA-N 357.454 2.602 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c1 77375265 QADJDEJCYUEKNL-HNNXBMFYSA-N 365.437 2.834 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1ccccc1OC(F)(F)F)C2 72153732 UXPFNVANIYQCFA-ZBFHGGJFSA-N 358.360 2.614 0 50 FFAA O=C(c1ccc2cc[nH]c2c1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 77393045 LIQXBOKIHPWDKI-UHFFFAOYSA-N 371.400 2.512 0 50 FFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCN(C2CCCCCC2)C1 72134436 ASQFRGWHZNISAL-INIZCTEOSA-N 368.547 2.502 0 50 FFAA CN1CCc2n[nH]c(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2C1 72409921 NUIAEOBGEWUACR-OAHLLOKOSA-N 367.478 2.985 0 50 FFAA Cc1nccn1[C@H](C)C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1 72430296 CJYSPJBWWJJPJP-OAHLLOKOSA-N 368.485 2.549 0 50 FFAA N[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 82121608 VZZACXJKRQONLX-MHTWAQMVSA-N 355.526 2.527 0 50 FFAA CCN1CCO[C@@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)C1 173853914 CZMFRYZNEJBYSX-HXUWFJFHSA-N 372.440 2.742 0 50 FFAA CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 82096803 FQAAHMAXMBXDQK-FQEVSTJZSA-N 366.461 2.818 0 50 FFAA C[C@@H](CC(=O)O)CC(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O 17074248 IILAHVKJDNHGII-LLVKDONJSA-N 360.435 2.877 0 50 FFAA C[C@H](C(=O)Nc1cccc2ccccc12)N1CCC[C@@H](N2CCNC2=O)C1 229674311 UMLGNFHXLJJXOA-NVXWUHKLSA-N 366.465 2.656 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)cc2o1 222461832 GIQIDDHVURARMK-CVEARBPZSA-N 373.434 2.697 0 50 FFAA CCc1c(C)nn(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)c1C 222399840 ZXKPDWPVZZMTTI-FQEVSTJZSA-N 354.498 2.843 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ccc(SCCO)cc1 222948813 JYPPJMVIPVILEU-GOSISDBHSA-N 371.506 2.560 0 50 FFAA COCc1nc(NCCCc2nc(C)c(C)s2)cc([C@H]2C[C@@H](N)C2)n1 222809581 OUQMIFFGBRNVLM-HDJSIYSDSA-N 361.515 2.946 0 50 FFAA Fc1ccc(-n2cc(CN3CCCO[C@H](CN4CCCC4)C3)cn2)cc1 97717056 LEPNJXQJQAVVMD-HXUWFJFHSA-N 358.461 2.698 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2ccn(CCO)n2)C1 426379769 QVUVSDBXAPQXBU-AWEZNQCLSA-N 356.451 2.505 0 50 FFAA CCN1CC2(CCN(C(=O)CCOC)CC2)C[C@@H](c2ccccc2)C1=O 91871419 CKANNEZGJKOQEC-SFHVURJKSA-N 358.482 2.668 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239308853 HAKQLDKCMJHDHN-DUBDDPSESA-N 363.435 2.949 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]n1 95531712 GJGFBSKIEDTDKH-SFHVURJKSA-N 370.497 2.835 0 50 FFAA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)c1 91624942 DUAZEIMLDQONCA-RBUKOAKNSA-N 354.450 2.752 0 50 FFAA CCN1CCC(CCNC(=O)N2CCN(c3ccccc3)C(=O)[C@H]2C)CC1 426712158 OLRAECICLODEBG-QGZVFWFLSA-N 372.513 2.555 0 50 FFAA COc1cc([C@H](C)NC(=O)N2CC(c3ccccn3)C2)cc(OC)c1OC 426690780 XZBFNNKVROULJI-ZDUSSCGKSA-N 371.437 2.977 0 50 FFAA CCCCOCC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95501003 ZQMVRRZWKHLGIC-SFHVURJKSA-N 356.470 2.849 0 50 FFAA CCCCOC(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 91781268 AUNCRNVBKDLRMR-UHFFFAOYSA-N 374.485 2.926 0 50 FFAA Cc1ccnc([C@H](NC(=O)CCn2c(CO)nc3ccccc32)C2CC2)c1 97797330 IAAVLDDRUDFRLQ-OAQYLSRUSA-N 364.449 2.890 0 50 FFAA O=C(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)c1cnc(O)cc1O 92021860 WITJRIPNXHQYLM-MRXNPFEDSA-N 362.389 2.757 0 50 FFAA CC(C)OC(=O)c1cc(NC(=O)NCCc2c[nH]cn2)ccc1Cl 97636603 VMCUMJMVVBPNCA-UHFFFAOYSA-N 350.806 2.993 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CCN(c2ccccc2)C1=O 95512859 JRILGRADPZTWMA-KRWDZBQOSA-N 366.465 2.690 0 50 FFAA Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c2ccccc2n1 96132718 NZDMADJGJYSILP-LJQANCHMSA-N 363.392 2.996 0 50 FFAA O=C(Nc1ccc(Cl)c(F)c1)N1CCN(CC2CC2)[C@@H](CCO)C1 96153989 VQTWEIBLOWCFDD-AWEZNQCLSA-N 355.841 2.790 0 50 FFAA O=C1c2ccccc2[C@H]2N1CCCN2C(=O)c1ccccc1-n1cccn1 97772978 NFYAUKALYCFHHF-IBGZPJMESA-N 358.401 2.873 0 50 FFAA CSc1cccc(CN(C)C(=O)[C@H](c2cccnc2)N2CCOCC2)c1 97436853 VRZJPOIMKSZCFQ-IBGZPJMESA-N 371.506 2.835 0 50 FFAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239025463 BRAYONMLLDRORF-JEWRLFTDSA-N 361.825 2.826 0 50 FFAA CCn1ncc(C(=O)N[C@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)c1C 244778586 PTGCFOCPGODNDB-QWQRMKEZSA-N 361.417 2.601 0 50 FFAA C[C@H](C(=O)Nc1ccccn1)N(C)Cc1cnn(-c2ccc(F)cc2)c1 244601767 DRLIZNUKKRVAHF-CQSZACIVSA-N 353.401 2.865 0 50 FFAA C[C@]12CCN(C(=O)Cc3ccnc(O)c3Br)C[C@H]1C2(F)F 294823505 VSDSVQHIEFWXEG-RNCFNFMXSA-N 361.186 2.596 0 50 FFAA CCc1nc(C)c(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)o1 294973591 NENPLOBEFNBKPO-HNNXBMFYSA-N 373.453 2.567 0 50 FFAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 253612040 WKFXHNDWEHDGQD-CRVCTCKRSA-N 350.499 2.681 0 50 FFAA O=C(NCCN1CCCCC1=O)c1ccc(-c2cnn(CC3CC3)c2)cc1 534661952 AHYQCLLHKYRYAQ-UHFFFAOYSA-N 366.465 2.702 0 50 FFAA Nc1nc2c(c(C(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)n1)CCCC2 1506402546 OGGZKEZXWRUEFE-INIZCTEOSA-N 372.856 2.805 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(Cl)nc1C 299774056 FPQMIJZAHOCDDZ-NSHDSACASA-N 352.826 2.554 0 50 FFAA O=C(NCc1ccc(CO)cc1)N(CCO)CC12CC3CC(CC(C3)C1)C2 584892908 ICGNOIVWQJQISC-UHFFFAOYSA-N 372.509 2.899 0 50 FFAA COc1ccccc1CC(=O)NCC1CCN(c2nc(C)cnc2C)CC1 952969662 BZCNMJPTOMPNJZ-UHFFFAOYSA-N 368.481 2.677 0 50 FFAA CCCS(=O)(=O)N1CCC[C@@H](CNC(=O)CCCc2ccccc2)C1 952972924 HICKICHFYQJYSC-SFHVURJKSA-N 366.527 2.577 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H](O)c1ccccc1)CC2 275859248 ZCOVDOWQVGTPKA-WMZOPIPTSA-N 371.506 2.690 0 50 FFAA CC(C)c1cnc(NC(=O)NCc2cccnc2N2CCN(C)CC2)s1 192397222 BIXCWSFDMRTMDT-UHFFFAOYSA-N 374.514 2.735 0 50 FFAA O=C(NCc1cccc(F)c1)N1CCN2[C@H](COC[C@H]2c2ccccc2)C1 1615965043 DEFNXSCMZRJMPU-PMACEKPBSA-N 369.440 2.793 0 50 FFAA CCc1nn(C)c(NC(=O)[C@@H]2CC(=O)Nc3ccc(OC)cc32)c1CC 1506405041 BMVGNXMAWBAYQS-CQSZACIVSA-N 356.426 2.618 0 50 FFAA COCC1(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](NC(=O)C3CC3)C2)CCC1 219606497 PIENPUXBMVSXFQ-MOPGFXCFSA-N 370.493 2.632 0 50 FFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCC[C@H](C)OC)ccc1F 1704307616 CJCIOPSZNNKJKV-NSHDSACASA-N 365.405 2.710 0 50 FFAA Cc1nc2ccc(Cl)cn2c1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704280059 NFOXSNQJLSBTPO-ZBFHGGJFSA-N 370.840 2.679 0 50 FFAA COc1cccc(CCC(=O)N2CCCN(c3ccncc3F)CC2)c1 1772812622 MMGRXWXBKRGMAB-UHFFFAOYSA-N 357.429 2.901 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)NCc3[nH]nc4ncccc34)c2)n1 1772818902 ADRLHKCMXUSUOD-UHFFFAOYSA-N 360.421 2.750 0 50 FFAA COc1ccccc1NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 5399272 DNSHSZJOIJJHCP-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1cc(COc2ccccc2)[nH]n1 11819474 UVZHCJBRPMUYIO-UHFFFAOYSA-N 351.362 2.647 0 50 FFAA O=C(Cn1cccn1)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 12089810 QORZCPNVEGDSFP-HXUWFJFHSA-N 374.529 2.545 0 50 FFAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 12597124 GEXNNXVTPSMKRB-KRWDZBQOSA-N 372.465 2.518 0 50 FFAA CC(C)CNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 14981097 PPDUBMBMEQKRBI-UHFFFAOYSA-N 358.486 2.624 0 50 FFAA CCc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 16604325 ICADXVYAYIDIRO-UHFFFAOYSA-N 358.463 2.997 0 50 FFAA CN1c2cc(C(=O)N3CCc4ccccc4C3)ccc2C(=O)N2CCC[C@H]21 169768483 OJVRMIRCCXOMMX-FQEVSTJZSA-N 361.445 2.897 0 50 FFAA Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn23)cc1 169776310 WLHPDEGDUYIAKG-UHFFFAOYSA-N 374.404 2.895 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc5ccccc5n4)[C@@H]2CC(=O)N13 1857718729 QKFRDIQFXGQRGO-ZVDOUQERSA-N 351.450 2.793 0 50 FFAA CN(C(=O)CCNC(=O)C(C)(C)C)C1CCN(Cc2ccccc2)CC1 113094777 VXKYTPARSGSQHE-UHFFFAOYSA-N 359.514 2.662 0 50 FFAA Cc1nc(CC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c(C)s1 333621485 UISZXHYJPVFMDP-OKILXGFUSA-N 366.389 2.631 0 50 FFAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(=O)c3cccc(F)c3)C[C@@H]21 248253125 QSRSEAKXBDCSIO-YWZLYKJASA-N 371.364 2.537 0 50 FFAA O=C(CCC1CCCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704303127 FLFCWECCJZYOAG-WIYYLYMNSA-N 359.466 2.864 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3ccccc3)C1)CC2 1704336202 VOJDOYIGIKVCMD-NRFANRHFSA-N 350.466 2.592 0 50 FFAA CCCc1nc(CN2CCC3(CC2)C[C@@H]3NC(=O)c2cc[nH]n2)cs1 952893173 GNQVPJGMRVCAPN-HNNXBMFYSA-N 359.499 2.603 0 50 FFAA O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2cccnc2)CCO1 1875288690 XESLFABNRPMTAU-OAHLLOKOSA-N 367.327 2.824 0 50 FFAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2cn(-c3ccccc3)cn2)C1 1875395849 NPNCYXCXJJESGA-BCHFMIIMSA-N 372.494 2.739 0 50 FFAA Oc1nc(O)c2c(n1)CN(CCCc1ccc(C(F)(F)F)cc1)CC2 1875308043 QPJUBPJJVVNSSW-UHFFFAOYSA-N 353.344 2.898 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc4c(c3)OCCCO4)n[nH]c21 1875394382 HFLLYNJMRIEIKC-NEPJUHHUSA-N 357.410 2.523 0 50 FFAA Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@]34CC[C@@H](CNC3)C4)c12 1875305510 UQMYXCLFDXZQFW-CWTRNNRKSA-N 352.394 2.663 0 50 FFAA Cn1ncc2c1C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)CC2 1875300596 JWPOYVHWJABNDK-AWEZNQCLSA-N 352.360 2.796 0 50 FFAA Cc1cc(N[C@H]2CCO[C@@H]2c2cn(C)nc2C)nc(-c2ccccn2)n1 886063036 KUWQWOPEBMBEOQ-MAUKXSAKSA-N 350.426 2.831 0 50 FFAA O=C(c1c(C(F)F)nc2cnccn12)N1CCC[C@H](COC(F)F)C1 2325790302 CNBAYGSFXRLRAY-VIFPVBQESA-N 360.311 2.758 0 50 FFAA CC1(C)[C@@H](N)C[C@@H]1CC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 2325799796 YIRYSZPJBOBQHK-DOMZBBRYSA-N 352.425 2.538 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H](C)c1cccc(-c3nn[nH]n3)c1)O2 2325843077 SXBLPQGTGNPKOH-UGSOOPFHSA-N 363.421 2.746 0 50 FFAA COc1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)c(OC)c1 4140381 RUEPBSBZSRTGFK-UHFFFAOYSA-N 365.437 2.800 0 50 FFAA COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl 911360 RYNSGHOJLPJILT-UHFFFAOYSA-N 355.799 2.556 0 50 FFAA CN1C(=O)N(CC(=O)c2ccccc2)C(=O)[C@@](C)(C2=CCCCC2)C1=O 1000520 FDTZAVFBSHFAFF-FQEVSTJZSA-N 354.406 2.797 0 50 FFAA Cc1ccc(S(=O)(=O)NC(=N)Nc2nc(C)c3cc(C)ccc3n2)cc1 2183162 LHTSRIHTENSQGC-UHFFFAOYSA-N 369.450 2.880 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2ccc(-n3cccn3)cc2)C1=O 2356167567 SRZSCEAGCNVGQS-OAQYLSRUSA-N 366.465 2.878 0 50 FFAA O=C(Cc1nnc(NC(=O)c2cccs2)s1)NCc1ccccc1 2845185 VLBJVKUWRZAUJM-UHFFFAOYSA-N 358.448 2.711 0 50 FFAA CC/C(Nc1ccccc1N)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 3894089 FKODBKALEYIALO-ICFOKQHNSA-N 364.405 2.623 0 50 FFAA CCN(C(=O)CCn1c(C)cc(C)nc1=O)[C@@H](C)Cc1ccc(OC)cc1 55405077 MSVJCGWOHCBEFE-KRWDZBQOSA-N 371.481 2.739 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1 53244421 KKYNOPYPNTZPQS-UHFFFAOYSA-N 358.461 2.894 0 50 FFAA CCCCC(=O)Nc1ccc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 55255677 FKVCVQLHEQFWSE-ZDUSSCGKSA-N 350.440 2.702 0 50 FFAA Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccccc1OC1CCC1 118365395 QUVVLIOYNKMFIR-UHFFFAOYSA-N 353.378 2.686 0 50 FFAA C[C@@H](NC(=O)CCN1CCC(Oc2ncccn2)CC1)c1ccccc1 65469490 QVEANFIUHMFKTJ-MRXNPFEDSA-N 354.454 2.587 0 50 FFAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)CN2CCOC2=O)c1 55119941 VWEYPDVATOQMMF-UHFFFAOYSA-N 367.405 2.649 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCSCC2)nc1 67642827 QUYQAPREQMBPKO-UHFFFAOYSA-N 373.526 2.775 0 50 FFAA O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 29899857 AUKDYGOGBLPRFL-CYBMUJFWSA-N 374.238 2.513 0 50 FFAA CN(C(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1)c1ccccc1 136127135 PQXAMQQMPLRCQV-QGZVFWFLSA-N 366.417 2.900 0 50 FFAA Cc1ccnc(N2CCN(C(=O)N[C@H]3CCc4c(O)cccc43)CC2)c1 119306555 CNBRDAYPHBJMTQ-KRWDZBQOSA-N 352.438 2.615 0 50 FFAA O=C(CCNC[C@@H]1OCCc2ccccc21)N1CCc2ccccc2C1 65394397 JLJMOTFRMIXSKK-NRFANRHFSA-N 350.462 2.865 0 50 FFAA CC(C)(C)NC(=O)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67674784 BSIFRVRVCUUEHZ-CQSZACIVSA-N 372.444 2.837 0 50 FFAA CC1(C)CN(C(=O)c2ccc(OCC(N)=O)cc2)C[C@@H]1c1ccccc1 122088976 MFSZXPXXFIGSBG-GOSISDBHSA-N 352.434 2.817 0 50 FFAA C[C@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)N1CCN(C)CC1 77470609 SUUYOUGDFHKTBT-MRXNPFEDSA-N 355.486 2.589 0 50 FFAA COc1ccccc1N1CCN(C2CCN(C(=O)CC(C)C)CC2)CC1 2735139 RIGISKJXSPDQRN-UHFFFAOYSA-N 359.514 2.854 0 50 FFAA O=C1Nc2ccccc2[C@@]12CCCN(Cc1nc(-c3ccco3)no1)C2 72148775 WAPXSHUEWGGRPJ-IBGZPJMESA-N 350.378 2.816 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](NS(=O)(=O)C2=Cc3ccccc3CC2)CCO1 328633681 STRAFGSAYCQWHR-LPHOPBHVSA-N 373.478 2.547 0 50 FFAA Cc1cc([C@H]2CCCCN2C(=O)CCn2cnc3ccccc3c2=O)no1 218956131 CRUSDQIGEIYHCV-GOSISDBHSA-N 366.421 2.837 0 50 FFAA CC(C)(C)n1nc(C(=O)N(CCC(=O)O)C2CCOCC2)cc1C1CC1 236769476 WADAOTMERRRCJA-UHFFFAOYSA-N 363.458 2.611 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(N3CCO[C@H](c4ccccc4)C3)n2)c1 72406899 WHVMMOYVWRGAHR-SFHVURJKSA-N 362.389 2.815 0 50 FFAA Cc1cc(NC(=O)NCCc2ccc(Br)cc2Cl)nn1C 455017552 ZOCLHOQTBFTRMU-UHFFFAOYSA-N 371.666 3.509 0 50 FFAA OCCOc1cccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)c1 72418659 LEFLDWVNADUMLC-QFIPXVFZSA-N 366.505 2.733 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)cc2F)n1 171940807 MUHFPFZRXYBPLK-KRWDZBQOSA-N 356.445 2.939 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N[C@H](C)CC(C)(C)O)C1 458396163 LUXFNAUPDCCQQU-GDBMZVCRSA-N 351.466 2.952 0 50 FFAA CCCN(C)C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)C1 173807958 CJIGVFYQFPQAGU-OAHLLOKOSA-N 369.513 2.958 0 50 FFAA CCNS(=O)(=O)c1cc(-c2ccc(N3CCC[C@H](C)C3)nn2)ccc1C 16649606 LLMCBQZWHRQEFC-AWEZNQCLSA-N 374.510 2.987 0 50 FFAA O=C(O)CCCN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 82138319 KTSLRZUSKNYDTQ-OAQYLSRUSA-N 358.482 2.799 0 50 FFAA CC[C@]1(c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)CCC(=O)N=C1O 227300315 WVPFXTRAQOLAMI-QEEYODRMSA-N 372.421 2.907 0 50 FFAA Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 176281334 GKOAGLKQYXZSCT-ZWNOBZJWSA-N 362.396 2.500 0 50 FFAA O=C1C(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 20026971 ACETTXKWJHVYLX-UHFFFAOYSA-N 355.825 2.649 0 50 FFAA O=C(NCCCN1CCCC1=O)c1ccc(-c2ccc(F)cc2O)cc1 426444820 ADAKAKVVBJTJDE-UHFFFAOYSA-N 356.397 2.941 0 50 FFAA O=C(c1onc2c1CCCC2)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 426740467 KSKFZTFCVJXGFF-NRFANRHFSA-N 371.481 2.808 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1CCCN(C(=O)C2CCC2)CC1 91858646 PQQJWWNQEBEPPB-UHFFFAOYSA-N 355.413 2.849 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2c[nH]nc2C2CCCCC2)on1 95366139 IEIDILGQMAOCFS-PBHICJAKSA-N 358.442 2.741 0 50 FFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1C(=O)O 178276338 XAROIBRYTIVSRP-CYBMUJFWSA-N 364.398 2.859 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CC[C@H](Cc2cccc(CO)c2)C1 95391959 WVFWDEMUVYYPOB-QGZVFWFLSA-N 374.444 2.736 0 50 FFAA COc1ccc(-c2ncc(CN3CCC(c4nncn4C)CC3)cn2)cc1 97814979 UPJAKKYJZPSIBH-UHFFFAOYSA-N 364.453 2.660 0 50 FFAA COc1ccc2nc(NC3CCN(C[C@@H]4CCOC4)CC3)c(C)nc2c1 293191713 WLAVCTZDNJBXJF-HNNXBMFYSA-N 356.470 2.860 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC[C@H](c2nccn2CC2CC2)C1 95523962 VSANJTIINBRNRM-IBGZPJMESA-N 353.466 2.734 0 50 FFAA CC[C@@H](C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1)n1cccn1 91444799 SNHMKAHREPSZDH-INIZCTEOSA-N 356.470 2.970 0 50 FFAA COCCCn1cnnc1CNC(=O)c1cc(Cl)c(C)c(Cl)c1 91440839 SDIJSQJGOIOLLW-UHFFFAOYSA-N 357.241 2.860 0 50 FFAA C[C@@H](c1ccc(-c2cc(N3CCCC3)nc(N)n2)cc1)N1CCOCC1 97570826 SFOBXEXECZAKNZ-HNNXBMFYSA-N 353.470 2.719 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1 237334959 WGVZSJSKMQQKSZ-FZMZJTMJSA-N 359.344 2.901 0 50 FFAA Cc1cc(C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)cc2sc(N)nc12 244626859 FTXPTXWFFOOXBH-JOCQHMNTSA-N 356.455 2.692 0 50 FFAA Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@@H](C)c3ccc(C)o3)n21 182581290 WPALUNIZOXBOFG-ZDUSSCGKSA-N 351.410 2.642 0 50 FFAA Cc1cccc(CCCNC(=O)N2CCC(N3CCC[C@@H](O)C3)CC2)c1 534581899 QGVXDARNBMQBMF-HXUWFJFHSA-N 359.514 2.558 0 50 FFAA COc1ncc(Cl)c(N2CCC[C@H](CC(=O)N3CCCC3)CC2)n1 299744663 UAYZRSWQQPGHMM-ZDUSSCGKSA-N 352.866 2.758 0 50 FFAA COc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 263616004 GLIVEJIWEVXUSX-KRWDZBQOSA-N 354.435 2.652 0 50 FFAA O=C(Nc1cc(F)c(F)c(F)c1)NC1CCN(C[C@@H]2CCCO2)CC1 299798219 WORXNPOWWSLZHU-ZDUSSCGKSA-N 357.376 2.869 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Nc3cc(C)nn3C(C)C)CC2=O)cc1 299788473 PPHGABKEBDLMOG-UHFFFAOYSA-N 369.469 2.957 0 50 FFAA COc1cc(NC(=O)N2CCCN(C(=O)C(F)(F)F)CC2)ccc1C 299760615 VOQQYKJQGZYWPS-UHFFFAOYSA-N 359.348 2.632 0 50 FFAA CCc1nc(C)sc1CNC(=O)N1CCC(N2CCSCC2)CC1 584889878 FYTSTNNOVFGCPW-UHFFFAOYSA-N 368.572 2.737 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)Cc1cn(C)c2ccccc12 952987152 KCCSVPSFCHLSTG-UHFFFAOYSA-N 361.405 2.949 0 50 FFAA CN1CC(=O)N(CC(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C1=O 952963859 JVFUSTXRDSDFBW-UHFFFAOYSA-N 357.797 2.840 0 50 FFAA CN(CCOc1cccc(Cl)c1)C1CCN(C(=O)c2cnccn2)CC1 952970205 UMSUOSFVFBODGZ-UHFFFAOYSA-N 374.872 2.745 0 50 FFAA COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cc(C)nc(C)n2)cc1 952872867 FLHTWBNBBSYCJY-IBGZPJMESA-N 369.465 2.966 0 50 FFAA O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 268935942 HKNIJECRIHRKRW-FZCLSBEQSA-N 370.449 2.822 0 50 FFAA C[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 408474937 ZVVVFJISXSNHSS-JFIYKMOQSA-N 373.501 2.738 0 50 FFAA C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cn(Cc2ccccn2)nn1 274282451 VQFLRIYEMKJTCK-NRFANRHFSA-N 361.449 2.959 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(Cl)cc(OC)c3)CCN12 1529133818 CDWSGLQKSJMLPA-JKSUJKDBSA-N 352.862 2.674 0 50 FFAA Cc1ccc(CN2CCCN(C(=O)c3cccc4nccnc34)CC2)o1 1529191327 WTHMBCXMRVFRSG-UHFFFAOYSA-N 350.422 2.879 0 50 FFAA Cc1ccncc1C(=O)N1CCCN(CCOc2ccc(F)cc2)CC1 1529138674 ILGYORCDXWEATR-UHFFFAOYSA-N 357.429 2.756 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704298356 HRMSDLXQZFPICH-SJLPKXTDSA-N 371.506 2.595 0 50 FFAA CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337118 VWKOSTSBJUJICF-GRYCIOLGSA-N 371.264 2.745 0 50 FFAA CCC[C@H]1CN(C(=O)c2ccc3nc(C)c(C)nc3c2)C[C@@H]1NC(C)=O 213021225 RFWKJQJXXTXRJN-LPHOPBHVSA-N 354.454 2.623 0 50 FFAA Cn1cccc1C(=O)N1CCCN(C(=O)c2scc3c2CCCC3)CC1 1772702057 PGLHESRCGBMWKL-UHFFFAOYSA-N 371.506 2.954 0 50 FFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772707166 ZBNKZIQXTNQCTI-KDOFPFPSSA-N 351.830 2.612 0 50 FFAA CCCN(C[C@H]1CCCO1)C(=O)c1cn(CCCc2ccccc2)nn1 11818024 ATNPLSIDFOYQBV-GOSISDBHSA-N 356.470 2.942 0 50 FFAA Cc1csc(SCC(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)n1 12595675 RBPCCBFHLIPMGU-AWEZNQCLSA-N 367.540 2.841 0 50 FFAA NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cs1 16624523 UPLYEESGDGXYQH-UHFFFAOYSA-N 350.343 2.667 0 50 FFAA O=C(CCCn1cccn1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857672156 NKPFKFPHNVJZFF-WAOWUJCRSA-N 367.449 2.740 0 50 FFAA CCC[C@]1(CO)CCN(C(=O)c2cc3ccc(Cl)cc3n2C)C[C@H]1O 1875239955 BAMRIDMEIZLFOF-IEBWSBKVSA-N 364.873 2.817 0 50 FFAA O=C1CCCCN1CC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212382664 OVFBAWRESQLHBE-UXHICEINSA-N 366.461 2.529 0 50 FFAA COC[C@](C)(NC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)O 237154351 KUIQBVLDTUZGNP-HNNXBMFYSA-N 354.815 2.683 0 50 FFAA COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2C2CCCC2)cc1OC 132675164 IKPJNYBYCFKJTQ-MRXNPFEDSA-N 360.454 2.615 0 50 FFAA COc1ccccc1[C@@H](C)CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 264366034 BWXKHQJIKNYRRZ-OALUTQOASA-N 373.541 2.817 0 50 FFAA Cn1cccc1[C@H]1COCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 164027299 XUZWEUZIMWDOCR-VQIMIIECSA-N 367.449 2.516 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccc4c(c3)OCO4)C1)CC2 1704300844 XVZNIPNBEQYSJZ-OAQYLSRUSA-N 365.433 2.563 0 50 FFAA NC(=O)N1CC[C@@H](CNc2nc(-c3ccccn3)nc3sccc23)C1 858543189 GHSWLUCWEFYOEE-NSHDSACASA-N 354.439 2.566 0 50 FFAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 952886829 SZSWQJJTDUYVMR-RTBURBONSA-N 356.466 2.697 0 50 FFAA Cn1cc(-c2ccccc2)nc1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 1875274646 PJZUZDHKQYMMDM-OAHLLOKOSA-N 370.453 2.826 0 50 FFAA Cc1nc(C2CCCC2)sc1C(=O)N1CCC2(CC1)CS(=O)(=O)C2 1875276457 LWGYNBHZRGOXLS-UHFFFAOYSA-N 368.524 2.760 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(CC4CCCCC4)CC3)n[nH]c21 1875394383 HHWHURXPNLJMAI-CABCVRRESA-N 360.502 2.770 0 50 FFAA Cc1cc(N2CCC[C@](C)(NC(=O)[C@]34CCC[C@@H]3C4(F)F)C2)ncn1 1875405920 ROOWUMDPVKCRGP-JQFCIGGWSA-N 350.413 2.696 0 50 FFAA O=C(NC[C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1c[nH]nc1-c1cccs1 1875404494 KUURQYDANIPHMC-OTYXRUKQSA-N 359.373 2.962 0 50 FFAA CN1C(=O)CC[C@@H](NCc2cc(Cl)ccc2F)[C@@H]1c1nccn1C 886085357 LXSAZUDXICIEFD-GDBMZVCRSA-N 350.825 2.664 0 50 FFAA CCc1ccc(S(C)(=O)=O)cc1-c1nc(-c2cc(N(C)C)ccn2)no1 897164914 GVGBWYLBGUKNFN-UHFFFAOYSA-N 372.450 2.831 0 50 FFAA CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc(SC)cc2)n1 1059743 ATSHFHKMSVYVPH-UHFFFAOYSA-N 372.493 2.771 0 50 FFAA COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC)c(OC)c2)cc1 4689546 RALWDDQKQRAAGT-HNNXBMFYSA-N 359.378 2.658 0 50 FFAA biogenic COc1ccc2cc(C(=O)N3CCCN[C@@H](c4ccccc4)C3)[nH]c2n1 2325783190 BDZOPYPEOOXROX-QGZVFWFLSA-N 350.422 2.748 0 50 FFAA Cc1cc(S(=O)(=O)N=c2nc(C3CC3)[nH]n2C)c(Cl)cc1Cl 2325811643 LRQJDDGBRSGVAQ-UHFFFAOYSA-N 361.254 2.530 0 50 FFAA Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NCc1cccc(C(N)=O)c1 2325864630 UNXWVSKABZAFFR-UHFFFAOYSA-N 367.380 2.747 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c(OC)c1 780181 ZJVNVLZBDORNHD-UHFFFAOYSA-N 374.422 2.823 0 50 FFAA CCC(=O)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl 2706962 XGTQVHHDIFJERF-JTQLQIEISA-N 370.689 2.901 0 50 FFAA COCCSc1nnc(NC(=O)c2c(OC)cccc2OC)s1 4740464 LNSZIMNBYNFLEM-UHFFFAOYSA-N 355.441 2.546 0 50 FFAA CCC1=NO[C@H](Cn2c(=O)n(C(CC)CC)c3ncc(C(=O)O)cc32)C1 55182978 CJQGGBFLCPVCPA-AWEZNQCLSA-N 360.414 2.812 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100394123 ZDEHPXBDYSHUEV-SYWGBEHUSA-N 358.825 2.784 0 50 FFAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(Nc3ncccn3)CC2)c1 55120591 DPTMHQMKILWICX-MRXNPFEDSA-N 354.454 2.964 0 50 FFAA Cc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2c1c(-c1cccnc1)nn2C 65459644 NIJXHRHWEQUKJE-LLVKDONJSA-N 356.817 2.652 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)CCc1nc(-c3ccccc3C)no1)C2 67787015 VQVTZWAJGFUFSF-UHFFFAOYSA-N 363.421 2.872 0 50 FFAA CCCn1nc(C)c(CNC(=O)c2ccc(CSc3ncn[nH]3)o2)c1C 67655110 HNWCUWYTGNNGDV-UHFFFAOYSA-N 374.470 2.843 0 50 FFAA C[C@@H](N1CCN(C(=O)c2c(O)cnc3ccccc23)CC1)C(F)(F)F 136992037 AUCCQLWOGQMUHI-LLVKDONJSA-N 353.344 2.649 0 50 FFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)c1cccc(-n2cccn2)c1 65428479 QGHJLBWQAAMOST-GOSISDBHSA-N 350.422 2.681 0 50 FFAA O=C(CCc1ccccn1)N1CCC(CO)(Cc2cccc(F)c2)CC1 23214328 MCDJHPSAWPAINK-UHFFFAOYSA-N 356.441 2.997 0 50 FFAA Cc1cc(C(=O)N2CCc3c(c(C(=O)O)nn3C)C2)c(-c2ccccc2)o1 67947686 ATODXUMQLAGTSZ-UHFFFAOYSA-N 365.389 2.885 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1ccc2nsnc2c1 67856087 UXDIOQNUXKGTAZ-GFCCVEGCSA-N 351.435 2.580 0 50 FFAA O=C1CN([C@H](C(=O)O)c2cccc3c2Sc2ccccc2S3)CCN1 63869898 JASFTGYYXCMUDU-INIZCTEOSA-N 372.471 2.860 0 50 FFAA COC[C@@H]1CCCN(c2nc3nonc3nc2NCc2cccs2)C1 12439092 MTLCNLRBSABCDK-LLVKDONJSA-N 360.443 2.549 0 50 FFAA Cc1ccc2cc(CN3CCC[C@H](C(=O)N4CCCC4)C3)c(=O)[nH]c2c1 67742221 LPICUNRDVQPLSJ-KRWDZBQOSA-N 353.466 2.671 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CCOC[C@H]2CC(=O)O)cc1 219320709 VBLJAJHOMZYXJX-GOSISDBHSA-N 353.418 2.902 0 50 FFAA CCN1Cc2nc(OC)c(CNc3ncnc4c(C)csc34)cc2C1=O 71551643 MAVVGMSGYGSXMT-UHFFFAOYSA-N 369.450 2.991 0 50 FFAA O=C1NC(c2ccccc2)=N[C@@]1(Nc1ccc(Cl)cn1)C(F)(F)F 4718009 NLTIAFOPZHZEPC-CQSZACIVSA-N 354.719 2.982 0 50 FFAA COc1cccc(NC(=O)CCN2C(=O)OC3(CCCCC3)[C@]2(C)O)c1 4770475 IPNJQPIPSGXJLZ-SFHVURJKSA-N 362.426 2.887 0 50 FFAA Cc1cc(NC(=O)[C@H](OC(=O)Cc2ccc(Cl)cc2)C(C)C)no1 328590553 JINVFZJRGDWGTQ-MRXNPFEDSA-N 350.802 3.385 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)OC1=O 72409671 CTJUZYJBNLYZDF-CYBMUJFWSA-N 371.441 2.574 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)c1 77379951 RDXLYQVGMWJYAW-IBGZPJMESA-N 360.498 2.725 0 50 FFAA CNCCN1C(=O)CC[C@H]2CN(Cc3cc(C4CCCCC4)no3)CC[C@H]21 72475421 HMTVQYZCPKHZQT-FXAWDEMLSA-N 374.529 2.755 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)C[C@@H]3CCCCN3C)CC2)OC1=O 77390187 UKTZPYANHMTZGL-KRWDZBQOSA-N 365.518 2.720 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 77379513 JBKNNEJHOTVTQD-INIZCTEOSA-N 364.449 2.956 0 50 FFAA Cc1ccc([C@H](CNC(=O)c2ccc3nc(C)oc3c2)N2CCOCC2)o1 215980972 JYMSNOWUIWNERE-KRWDZBQOSA-N 369.421 2.841 0 50 FFAA O=C(Nc1ccncc1F)c1cccc(S(=O)(=O)NC2CCCC2)c1 132167019 NMQYCTVCEUJPOX-UHFFFAOYSA-N 363.414 2.694 0 50 FFAA O=C(CCC(=O)c1ccc(F)cc1)NC1CCN(C[C@H]2CCCO2)CC1 220541960 UIMDFKODOXTPND-GOSISDBHSA-N 362.445 2.548 0 50 FFAA COc1cc(CNC(=O)Nc2cccc(CC(N)=O)c2)ccc1OC(C)C 426739015 HJAAVMKKXOOCKX-UHFFFAOYSA-N 371.437 2.832 0 50 FFAA CCc1ccc(OCCCN(C)c2cc([C@H]3CCOC3)nc(N)n2)cc1 426641383 NXOMIAGYEWKQCB-INIZCTEOSA-N 356.470 3.030 0 50 FFAA Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C(=O)O)C1 178263025 LQBXWXVBIUYMJZ-LLVKDONJSA-N 364.398 2.716 0 50 FFAA CC/C=C/C[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 43772419 SAKGBZWJAIABSY-IYPWANSFSA-N 352.471 2.819 0 50 FFAA in-vitro CN(C)Cc1ccc(CNC(=O)N(C)Cc2n[nH]c3c2CCCC3)cc1 426518911 DRAOPTKOIZPVRI-UHFFFAOYSA-N 355.486 2.692 0 50 FFAA CCCc1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)no1 82137693 GHMLOIOVINGIQO-UHFFFAOYSA-N 353.422 2.778 0 50 FFAA CCCn1ncc2c(C(=O)N3CCN4CCC[C@H]4C3)cc(C3CC3)nc21 20607049 RBGLOYXYEMTHBO-HNNXBMFYSA-N 353.470 2.639 0 50 FFAA CN1CCN(Cc2ccc3cccc(Cl)c3n2)C[C@]12CCNC(=O)CC2 92045854 KGHFPKDMVPDQKW-FQEVSTJZSA-N 372.900 2.675 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 95501335 MQRCDPJVCZXMCP-UHFFFAOYSA-N 370.453 2.618 0 50 FFAA CN(Cc1nc2ccccc2s1)C(=O)Cn1ccc([C@H]2CCCNC2)n1 426487375 MPJNNKDNYXKJJM-AWEZNQCLSA-N 369.494 2.618 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2c(=O)cnc3ccccc32)no1 95527978 BNRNNDAIKOYZFX-KRWDZBQOSA-N 366.421 2.872 0 50 FFAA CCCc1cc(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(Cl)c2)n(C)n1 95366044 YDGFATHECUQFPA-CQSZACIVSA-N 353.781 2.721 0 50 FFAA CNc1cc(C(=O)N2CCc3[nH]c(-c4ccc(OC)cc4)nc3C2)ccn1 96152849 YDXNQSYVGWBKMD-UHFFFAOYSA-N 363.421 2.721 0 50 FFAA OC[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CN1CCCCC1 91255412 BFPOQWXLXXAXMH-RTBURBONSA-N 372.488 2.538 0 50 FFAA O=C(NCCCN1CCOCC1)[C@H](Cc1ccc(O)cc1)c1ccccc1 96165861 SDJKOYCVSLMKAH-OAQYLSRUSA-N 368.477 2.557 0 50 FFAA Cn1nc(COc2ccccc2)nc1C1(N2CCOCC2)CCCCC1 95497466 UHAHRGJIDPIKMY-UHFFFAOYSA-N 356.470 2.886 0 50 FFAA CCOc1ccc(NC(=O)NCCN2CCC[C@@H](CO)C2)cc1Cl 96161927 MTCVTHLGPPNGQY-CYBMUJFWSA-N 355.866 2.565 0 50 FFAA Cc1cc(F)ccc1CN1CCC(c2nnc(Cn3cccn3)n2C)CC1 91519264 KDZZKHUPBZFPMZ-UHFFFAOYSA-N 368.460 2.887 0 50 FFAA Cc1cc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)ncn1 92062202 NJCRVNJVDDZIJZ-UHFFFAOYSA-N 351.454 2.589 0 50 FFAA O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cnc(O)cc1O 92021854 WITJRIPNXHQYLM-INIZCTEOSA-N 362.389 2.757 0 50 FFAA COc1ccc(C2(C(=O)N3CCCO[C@@H](CN4CCCCC4)C3)CC2)cc1 244641201 GLFGWARIDQEBSB-FQEVSTJZSA-N 372.509 2.830 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 299746472 XPVIPDGFDPGVPT-JQHSSLGASA-N 369.421 2.566 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)Nc1ncn(C2CCCCC2)n1 182691523 WWZVOJRCYVVXEH-UHFFFAOYSA-N 356.386 2.998 0 50 FFAA COCC[C@@H]1CN(C(=O)NCCc2c(OC)ccc3ccccc23)CCO1 534582460 IUUPUDCMIDHZCJ-QGZVFWFLSA-N 372.465 2.838 0 50 FFAA C[C@@H](CNC(=O)N(C)CCc1nc2ccc(Cl)cc2[nH]1)CN(C)C 534661617 ADNRHJJHOHCAFJ-LBPRGKRZSA-N 351.882 2.598 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)N2CC[C@](O)(CN(C)C)C2)c1 534655228 ZNHNXUZQCBBMQS-FQEVSTJZSA-N 372.490 2.756 0 50 FFAA O=C(NCc1cc(F)ccc1F)c1nnn2c1CO[C@@H](c1ccccc1)C2 263618339 SLEQTUCYMNWFQB-QGZVFWFLSA-N 370.359 2.758 0 50 FFAA CN(C)c1ccc(-c2ccnc(N3CCO[C@H](C(F)(F)F)C3)n2)cc1 1167084077 KNPORDNZZUCVFF-HNNXBMFYSA-N 352.360 2.977 0 50 FFAA O=C(NCCSc1ncn[nH]1)c1ccc(CN2CCCCCC2)cc1 299763045 OJRCNJDRBIHIEZ-UHFFFAOYSA-N 359.499 2.703 0 50 FFAA C[C@H]1N(C(=O)CCc2nc3ccccc3[nH]2)CCC[C@@]12CCCN(C)C2=O 1940198072 LEJVQUPUGREVSR-VFNWGFHPSA-N 368.481 2.745 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2ncccn2)c1 299776400 BCRWYASJXKCHAK-QGZVFWFLSA-N 352.438 2.617 0 50 FFAA c1ccc2c(N3CCn4nc(CNc5cnccn5)cc4C3)ccnc2c1 299762671 YCWGTFQXHMDQDD-UHFFFAOYSA-N 357.421 2.854 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)NCCc2nc(C)cc(C)n2)c1 299773308 DHFZQDZHDVGHKV-UHFFFAOYSA-N 355.442 2.516 0 50 FFAA Cc1cc(C(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)c2cc(F)ccc2n1 299756121 CDOVPZSUVBLCKA-KRWDZBQOSA-N 371.456 2.601 0 50 FFAA O=C1C[C@@H](CNC(=O)C2(N3CCCC3)CCCCC2)CN1C1CCCC1 828248243 TZXCXWSBZHDDSY-KRWDZBQOSA-N 361.530 2.692 0 50 FFAA Cn1ccn2ncc(C(=O)Nc3ccc(OC[C@H]4CCCCO4)cc3)c12 952972848 HREIPBMZASWCSW-MRXNPFEDSA-N 354.410 2.873 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1NC(=O)C(C)C 952968609 NPQJMPLCDUTGAL-OAHLLOKOSA-N 374.485 2.922 0 50 FFAA COc1cccc(-c2cc(C(=O)N3CCC(c4ncc[nH]4)CC3)[nH]n2)c1 268807331 MOBKOCVYEYPDQP-UHFFFAOYSA-N 351.410 2.828 0 50 FFAA Cc1oc(CN(C)C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1C(=O)O 268944394 VHWZGMNFQCZURJ-HOTGVXAUSA-N 371.389 2.820 0 50 FFAA O=C(O)[C@@H]1C[C@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 268921643 SUXJCUQIGAYGPQ-ZIAGYGMSSA-N 371.355 2.591 0 50 FFAA O=C(NCc1ccnc(-n2ccnc2)c1)c1ccc(-c2cncnc2)cc1F 185768586 JATGWFJFEHAIIV-UHFFFAOYSA-N 374.379 2.793 0 50 FFAA O=C(c1ccc(O)cc1O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 276809113 HCEKPFJMVLYJMZ-OAHLLOKOSA-N 373.409 2.742 0 50 FFAA NC(=O)[C@H]1CC(C(=O)Nc2cccc(-n3cccc3)c2)=NN1c1ccccc1 170620420 SQLNLSDVKBNOSW-LJQANCHMSA-N 373.416 2.536 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3cc(C4CCCCC4)n[nH]3)CCO2)cn1 191765775 LZEDYGRPWWOABQ-SFHVURJKSA-N 357.458 2.888 0 50 FFAA C[C@@H](CNC(=O)Cc1ccc2c(c1)OCO2)N1CCc2sccc2C1 194423146 ZYGJRNXPZNSEHF-ZDUSSCGKSA-N 358.463 2.582 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)CN2CC(C)(C)c3c(Cl)cccc32)C1 195032048 GSRRVUUVNFSWRM-AWEZNQCLSA-N 363.889 2.565 0 50 FFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccccc3OC(F)F)CCN21 1616079996 WIOZYVJSXFPFSZ-KGLIPLIRSA-N 354.397 2.613 0 50 FFAA CC(C)C1=NO[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 1506408257 WLUUIPDXAALVHP-HXUWFJFHSA-N 355.482 2.837 0 50 FFAA Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2F)n1 1506417508 LFJHSCHYFULVDD-LLVKDONJSA-N 359.854 2.801 0 50 FFAA Cc1ccc(N2CCC(CNC(=O)Cc3c[nH]c4ccccc34)CC2)nn1 1506399811 QOOUOPHWWPHOCQ-UHFFFAOYSA-N 363.465 2.842 0 50 FFAA COc1cc2nc(N3CC(Oc4ccc(C)cc4)C3)nc(N)c2cc1OC 1529114570 PUNYPRDHRBWWCX-UHFFFAOYSA-N 366.421 2.805 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 11945069 WQTNQFFMHWWYMP-HXUWFJFHSA-N 362.445 2.831 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12386081 KEUPLGKZLQSSHN-OAHLLOKOSA-N 350.409 2.758 0 50 FFAA O=C(CCc1ccco1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12453213 QVWCXADERWYUDP-KRWDZBQOSA-N 354.454 2.767 0 50 FFAA COC[C@@H]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 12587437 QOWVGXLNZVTFPG-LLVKDONJSA-N 352.337 2.640 0 50 FFAA O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 16651033 RUBKHNUQFOQGKD-UHFFFAOYSA-N 354.447 2.673 0 50 FFAA OCC[C@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1C1CCCC1 19789846 ORIHCXAVTNZGLD-NRFANRHFSA-N 372.488 2.823 0 50 FFAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1 19889729 JZCIPSCECBHCAP-UHFFFAOYSA-N 367.474 2.741 0 50 FFAA COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](C)CC3=O)CC1 19957325 WBSZZGDKQGNGHK-CQSZACIVSA-N 352.438 2.577 0 50 FFAA Cc1ccc(-c2ccc3nnc(CNC(=O)COc4ccccc4)n3n2)cc1 169778433 LGMGMRZUJGAGJN-UHFFFAOYSA-N 373.416 2.795 0 50 FFAA CN(C)CCCOc1ccc(-c2nccn2CC2(CO)CCOCC2)cc1 1857714204 VLSVCCVFYNPOPG-UHFFFAOYSA-N 373.497 2.670 0 50 FFAA Cc1ccc2c(CCN3CCn4nc(C(=O)O)cc4C3=O)c(C)[nH]c2c1C 1875245678 LKJZJRJHFSOXDF-UHFFFAOYSA-N 366.421 2.686 0 50 FFAA Cc1ccccc1[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cnn2C)C1 408388776 XBYAXDLWDVFSCQ-CHWSQXEVSA-N 353.875 2.949 0 50 FFAA N[C@@H]1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 237978743 YKEKLGRPXQHZNA-QWHCGFSZSA-N 360.483 2.589 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCCc1c[nH]c2ccccc12 247915298 FTOJHZATAWKFAD-AEFFLSMTSA-N 353.466 2.960 0 50 FFAA CCc1nc([C@@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cs1 153073433 RUKOUEHSKBNLDE-KGLIPLIRSA-N 374.514 2.867 0 50 FFAA Cc1coc(-c2cc(NC(=O)c3cn(C4CCNCC4)nn3)ccc2C)n1 162735902 SUTAXUBOKXWLCO-UHFFFAOYSA-N 366.425 2.727 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)cc1 1704327998 VYGCXXGVDXVANZ-OAQYLSRUSA-N 350.466 2.971 0 50 FFAA O=S(=O)(C1CC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704326827 OMBIHVHDBMEPKX-FQEVSTJZSA-N 369.490 2.916 0 50 FFAA CN(C(=O)c1ccc(C(=O)O)cn1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 911670836 KRLYDJOJBFZAJS-DOTOQJQBSA-N 358.369 2.911 0 50 FFAA Cc1cccc(N2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)c1 1875289818 RGIOXHWQRAMQAT-CABCVRRESA-N 354.454 2.703 0 50 FFAA CC(C)(C(=O)NC[C@@H](NCc1ccccc1)c1ccco1)c1cncnc1 1875284211 OVBQVFBJHBPEQI-GOSISDBHSA-N 364.449 2.995 0 50 FFAA CCn1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3ccc(F)cc3C)CC1)O2 1875394404 HXJFXKKPMIOPAZ-MRXNPFEDSA-N 373.428 2.841 0 50 FFAA C=CC(=O)NC[C@@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@H]1OCC 1875371370 YEKHQGKQCPGDAR-UYAOXDASSA-N 366.461 2.548 0 50 FFAA Cc1nc(Cl)nc(N2C[C@@H](C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C)c1F 1875407666 FQSBWWYWJYFJTK-KQXIARHKSA-N 354.857 2.907 0 50 FFAA CC(C)n1cnc(C(=O)N2CCC[C@]3(NC(=O)[C@@H]4C[C@H]4C)CCC[C@H]23)c1 1875407142 UATKZXIUYGYMOE-RNKNFESXSA-N 358.486 2.764 0 50 FFAA CCn1cc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(C(C)(C)C)n1 1875404777 UPSCTOOBBQKCSZ-IAGOWNOFSA-N 374.529 2.574 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)NCc2ccccc2OCc2ccccc2)C1 311360493 GTBNODCGVPKKCZ-QGZVFWFLSA-N 354.406 2.882 0 50 FFAA Cc1ccccc1N1CCN(c2cc(C(=O)NC3CC3)ccn2)[C@@H](C)C1 108192441 JHXVWBACHRERMB-INIZCTEOSA-N 350.466 2.997 0 50 FFAA COC(=O)c1cc(CNC(=O)NCc2cnccc2Cl)c(C)s1 2325812996 ATXWZQGSSAQSPE-UHFFFAOYSA-N 353.831 2.891 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2F)CC1)c1ccc2cccnc2c1 2325871437 LPBADFXKVVNKKP-BBWFWOEESA-N 355.413 2.704 0 50 FFAA Cn1ccc(C2CCN(S(=O)(=O)c3ccc(-n4cccc4)cc3)CC2)n1 1464570552 DQCKDYLNEMYDPS-UHFFFAOYSA-N 370.478 2.779 0 50 FFAA CCOCCOC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 1745357 XEXWGDXSSCFNAD-GOSISDBHSA-N 371.389 2.658 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C2CCN(Cc3ccccc3)CC2)C[C@H]1O 2356144754 KVOGKBNBRGVLBA-CTNGQTDRSA-N 360.498 2.589 0 50 FFAA O=P(OC[C@@H]1CCCO1)(OC[C@@H]1CCCO1)OC[C@@H]1CCCO1 2508146 YUUDAJZHJYVGCS-KKUMJFAQSA-N 350.348 2.681 0 50 FFAA COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccccc1F 6700955 IWKOKRFFPCHYAK-UHFFFAOYSA-N 364.398 2.527 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)ccc1O 20207556 FBYZMDTUOFUBCH-FQEVSTJZSA-N 370.493 2.778 0 50 FFAA Cc1c([C@H](C)NC2CCN(C(=O)C(C)C)CC2)cnn1-c1ccccn1 134155409 NLXCGZCOPKMDIS-HNNXBMFYSA-N 355.486 2.873 0 50 FFAA CC(=O)N1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)CC1 20256276 XVXOPCDPSTXRDO-UHFFFAOYSA-N 363.421 2.776 0 50 FFAA COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1OC 8781869 JEWIGMUPILVUGL-UHFFFAOYSA-N 360.435 2.706 0 50 FFAA Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)nc1C 330043887 HOCAUQYMTNPVEW-CQSZACIVSA-N 367.222 2.968 0 50 FFAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)CCCCCN)C2 71765638 AHDKRNPIUYXFJY-UHFFFAOYSA-N 367.497 2.613 0 50 FFAA COc1ccc2[nH]nc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)c2c1 77459794 PFYMYUOVKNYEHN-INIZCTEOSA-N 366.421 2.788 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2ccc(C)cn2)CC1 328635052 NCXMRXPWUJKIEJ-FQEVSTJZSA-N 353.470 2.583 0 50 FFAA O=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCOC2(CCCCC2)C1 151523902 RNBYTPOJXZSLGE-QGZVFWFLSA-N 371.481 2.757 0 50 FFAA COCc1cccc(S(=O)(=O)N2CCC(=O)c3ccc(OC)cc32)c1 375680582 RJUZNJHORGTULL-UHFFFAOYSA-N 361.419 2.623 0 50 FFAA O=C(O)[C@H]1CC12CCN(C(=O)CCc1cnn(-c3ccccc3)c1)CC2 262379311 CIPXSKHJRDWOHD-QGZVFWFLSA-N 353.422 2.518 0 50 FFAA O=C(N[C@H]1C(=O)Nc2cc(F)ccc21)c1cc(COc2ccccc2)[nH]n1 71735750 PHHRSNLXEXJVFB-QGZVFWFLSA-N 366.352 2.551 0 50 FFAA CCc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)cc1 72409312 OCCCSMITGPJQPQ-LJQANCHMSA-N 370.493 2.927 0 50 FFAA C[S@@](=O)C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1 173139251 XLJTWNZOWIJQJB-OYLFLEFRSA-N 353.390 2.580 0 50 FFAA Cc1nc(N2CCC[C@@H](OCc3ccccn3)C2)c2c(C)nn(C)c2n1 72479748 HQBGEDPZYSZTLN-MRXNPFEDSA-N 352.442 2.561 0 50 FFAA CCOc1ncccc1C(=O)NCCc1csc(-c2ccncc2)n1 222535014 PLHORUJOQYHSOE-UHFFFAOYSA-N 354.435 2.971 0 50 FFAA CC(C)(NC(=O)c1cccs1)C(=O)NCc1ccccc1-n1cccn1 223328027 XDGYJAHHIOEICR-UHFFFAOYSA-N 368.462 2.759 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)n3C)C2)c1 426477596 QULAUAXNCIIXKW-MRXNPFEDSA-N 370.449 2.634 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccc3ncsc3c2)[C@H]2C[C@H](O)C2)cn1 222385151 CORMLOJBJQJCFH-QWQRMKEZSA-N 369.446 2.942 0 50 FFAA CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(-c3nc(C)cs3)c2)CC1 178163865 RINDJVRWKPKPGK-CQSZACIVSA-N 373.478 2.577 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3cnc(O)nc3O)cc2)on1 426436730 QXACOACGFZCICF-HNNXBMFYSA-N 366.377 2.829 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(Cl)c2)CC1 91665641 PYGXHRXPRPXBGH-CYBMUJFWSA-N 362.857 2.721 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CSCC1CC1)C2 91860865 WVVHZBFFKMNAQS-DLBZAZTESA-N 363.527 2.857 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)c2ccc(-c3nnn(C)n3)cc2)c(C)s1 91645875 KTXPHJCFHCOJGS-JTQLQIEISA-N 356.455 2.784 0 50 FFAA CC(C)n1ccnc1CNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91858988 ASEZJNBDUVOFRL-KRWDZBQOSA-N 360.502 2.899 0 50 FFAA CCc1nc(C)c(-c2nc(CC(N)=O)nn2C2Cc3ccccc3C2)s1 96153158 ASPOPWXRQZCCMJ-UHFFFAOYSA-N 367.478 2.640 0 50 FFAA CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(C(=O)O)s1 95497315 DNDRQMOWRCRHLP-KGLIPLIRSA-N 366.483 2.785 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C(C)=O)C1 91644930 MGMUATOACUYORS-INIZCTEOSA-N 355.438 2.752 0 50 FFAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCN(C(=O)c2cccs2)CC1 97575131 KTUMFTOVTYLMTI-UHFFFAOYSA-N 366.446 2.736 0 50 FFAA COc1cccc(F)c1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 95511541 TYUXTCMKNKQJBX-HNNXBMFYSA-N 374.460 2.612 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4cscn4)C3)CCC2=O)cn1 92081751 BJTVDPZHRCHVRK-IBGZPJMESA-N 371.510 2.646 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCN(c2ccc(F)cc2)CC1 95386460 DMHYUQZMIHMXQC-UHFFFAOYSA-N 363.396 2.640 0 50 FFAA O=C([C@@H]1CCC[C@H](O)C1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1074608580 VCMUYWSNSFQSJP-WBVHZDCISA-N 370.415 2.901 0 50 FFAA CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(Cl)cc3)c2N)cc1 263616989 LNCJDDCTPFOJOB-UHFFFAOYSA-N 362.842 2.898 0 50 FFAA Cc1cccc(-c2noc(CNC(=O)CCCn3nc(C)cc3C)n2)c1 534588269 MBDOPCPSWKZEIM-UHFFFAOYSA-N 353.426 2.955 0 50 FFAA Cc1ccc(SC2CCN(C(=O)CSc3nncn3C)CC2)cc1 299796845 OQJSMXDXHPSVCK-UHFFFAOYSA-N 362.524 2.999 0 50 FFAA O=C1C[C@H](CN2CCC(Oc3cccnc3)CC2)CN1c1ccccc1 299799772 SCWGNSDJVYAGGQ-QGZVFWFLSA-N 351.450 2.978 0 50 FFAA CC(C)Cc1cc(C(=O)NC2CCN(c3ccccc3F)CC2)nc(N)n1 952861530 HUJQDOTXDOOXFJ-UHFFFAOYSA-N 371.460 2.795 0 50 FFAA CCO[C@@H]1C[C@H](NC(=O)Nc2ccccc2N2CCCC2=O)[C@@]12CCCO2 273684826 KUYFXRMIQFCRNQ-QKLQHJQFSA-N 373.453 2.662 0 50 FFAA Brc1cnn(Cc2noc(-c3noc4c3CCCC4)n2)c1 274046727 CUGLYWPGIGEHSG-UHFFFAOYSA-N 350.176 2.611 0 50 FFAA Cc1ncc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)c(C(C)C)n1 185671875 XUSIASOKMZZSSV-ZDUSSCGKSA-N 359.499 2.884 0 50 FFAA CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c1C 170640770 JQTQZJQPJPNLRC-UHFFFAOYSA-N 363.439 2.508 0 50 FFAA COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)Oc1ccc(OC)cc1 170641313 KLBPPXLEPCXNGA-CYBMUJFWSA-N 355.390 2.838 0 50 FFAA CCN(C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)[C@@H](C)Cc1ccsc1 186289847 PWHVXJYYJVVPQV-CWRNSKLLSA-N 362.495 2.703 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)N1CCO[C@H](CCc2ccccc2)C1 188442986 ICIOPLCZHRYECH-QGZVFWFLSA-N 353.466 2.691 0 50 FFAA O=S(=O)(c1cccc2nsnc12)N1CCCN(c2ccccc2)CC1 194770048 SPVRSDUHFFQMTP-UHFFFAOYSA-N 374.491 2.592 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2ccnc(OC)c2)CC1 1506411423 YLWXIQYZCOXJQI-UHFFFAOYSA-N 368.481 2.654 0 50 FFAA CC(C)Cc1cc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)nc(N)n1 1506408350 DPENTDUECQDCOY-UHFFFAOYSA-N 374.448 2.870 0 50 FFAA O=C(c1ccccn1)N1CCCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 1529110060 KIUFNKXJRNZDGU-UHFFFAOYSA-N 367.478 2.881 0 50 FFAA NC(=O)Nc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 145755904 AXTVSCXVAUPKJS-UHFFFAOYSA-N 372.494 2.881 0 50 FFAA CCCCCc1nc(-c2cccc(S(C)(=O)=O)c2)n(-c2cnn(C)c2)n1 1772807640 ZWDVJWCNIJAPIR-UHFFFAOYSA-N 373.482 2.804 0 50 FFAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C1CCOCC1 11839174 WGHIBLBVXHCVLS-UHFFFAOYSA-N 362.489 2.965 0 50 FFAA Cc1ncsc1CCNC(=O)c1cn(CCCc2ccccc2)nn1 11948427 GLKSMFJCJBRAML-UHFFFAOYSA-N 355.467 2.648 0 50 FFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccnn1C 12052992 MUSJSBUHHAALFN-MRXNPFEDSA-N 358.461 2.586 0 50 FFAA COc1cccc(OCc2cc(C(=O)N(C)Cc3c(C)n[nH]c3C)no2)c1 12057973 LMCYIXWSSXKCBY-UHFFFAOYSA-N 370.409 2.874 0 50 FFAA CC(C)=CCC/C(C)=C/CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCC(C)C 12332781 SEQDUCUVSAZBPZ-DVRKUDKQSA-N 374.533 2.753 0 50 FFAA COCC(=O)N1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 12386574 QNNVARTWKDFHIT-UHFFFAOYSA-N 352.862 2.621 0 50 FFAA COCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1 14988726 IAWUKUYVLKSQKD-COZJESOBSA-N 374.525 2.689 0 50 FFAA C[C@@H](C(=O)N1CCCCC1)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857672500 DPKVPUDHXXPJTD-KRWDZBQOSA-N 366.509 2.889 0 50 FFAA Cc1cccnc1CN1CC[C@@H](O)[C@]2(CCCN(C(=O)C3CC=CC3)C2)C1 1857688039 QLZLBZMZFBKMHU-IFMALSPDSA-N 369.509 2.532 0 50 FFAA Cn1c(=O)c(-c2nccn2C[C@@H](O)c2ccc(O)cc2)cc2ccccc21 1857691349 HMBKCOBVDGYSHH-LJQANCHMSA-N 361.401 2.841 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3ccc(F)cc3F)CC2)O1 1857700578 JMHAWDDZBIXDCH-CVEARBPZSA-N 353.409 2.818 0 50 FFAA COc1ccc2cc(-c3nccn3[C@@H]3CC(=O)N(C(C)C)C3)c(O)nc2c1 1857704174 GWAQESGMCWQQPZ-CQSZACIVSA-N 366.421 2.994 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CC[C@H](CO)C1 1857720211 JRCWEYPLEFOETC-LBPRGKRZSA-N 363.845 2.538 0 50 FFAA CN(Cc1ccccc1)C[C@H](O)C1CCN(c2ncnc3[nH]ccc23)CC1 1857737358 JCZCWNSVWBIFAC-IBGZPJMESA-N 365.481 2.667 0 50 FFAA C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC2(CCCC2)c2c(F)cccc21 408032594 ZFSIEMYUARQTLL-LSDHHAIUSA-N 373.472 2.570 0 50 FFAA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC1CC1 3506676 MLYCZJAWLYTSTO-UHFFFAOYSA-N 351.435 2.700 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC[C@@H](N)C[C@@H]1C 237608716 XCMCZOSCCXPIQC-JBLDHEPKSA-N 359.239 2.694 0 50 FFAA Cc1nn(-c2ccccc2)cc1CN1CCC[C@H](C(=O)NCC2CC2)C1 154821061 WBAVXSXBIISXJP-SFHVURJKSA-N 352.482 2.919 0 50 FFAA CCOc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 157176346 XEDIVKACZNVVJH-INIZCTEOSA-N 370.453 2.519 0 50 FFAA O=C(O)c1cccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 263448616 ZPDOXXXHGHBACT-UHFFFAOYSA-N 361.829 2.634 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)C[C@H]2CCCOC2)(c2ccccc2)CC1 847468643 BHTWUQRIAAFHJA-GOSISDBHSA-N 370.493 2.618 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cc4c(cn3)OCCO4)cc2)c1C 1875357234 XVCZHXQMYVYTLR-UHFFFAOYSA-N 350.378 2.908 0 50 FFAA COC[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc2ccoc2c1 1875344245 IABFJUSMELBSFX-PBHICJAKSA-N 360.454 2.976 0 50 FFAA COc1ccccc1OCCNC(=O)c1cc(O)nc2cccc(OC)c12 1875329998 NXFNSWGPJUOQPY-UHFFFAOYSA-N 368.389 2.766 0 50 FFAA Cc1nc(-c2c[nH]c(-c3nc(-c4nc[nH]n4)nn3C3CSC3)c2)cs1 1875341439 TUGLJTNTQAJFSY-UHFFFAOYSA-N 370.467 2.778 0 50 FFAA CC(F)(F)c1n[nH]c(=NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1 1875313806 VRQOPHRBWAZVHK-UHFFFAOYSA-N 358.339 2.958 0 50 FFAA OCc1cc2ccccc2nc1N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O 1875398939 JTPQKCFVVXJMJC-JBBXEZCESA-N 372.856 2.829 0 50 FFAA C[C@H](c1nnc2ccccn12)N1C(=O)N[C@](C)(CC2=CCCCC2)C1=O 1875304539 NHZBHLFLLFXKEI-BFUOFWGJSA-N 353.426 2.991 0 50 FFAA O=C1NCCCN(C(=O)c2ccc3scnc3c2)[C@@H]1c1ccccc1 1875332226 NZRSUPBMNAJFQA-QGZVFWFLSA-N 351.431 3.000 0 50 FFAA Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)cc1F 1875360866 KYPRMMRQOQXVEL-HKUYNNGSSA-N 370.424 2.727 0 50 FFAA O=C(Nc1nccc2nc(O)[nH]c12)[C@@]1(Cc2ccc(F)cc2)CCCO1 1875405553 JLJVLPHIGJNSJM-SFHVURJKSA-N 356.357 2.533 0 50 FFAA Cc1ccc2ncc(CN3CC[C@H](Oc4ccnc(CN(C)C)c4)C3)n2c1 886056925 TYPQIVNYWCKMSR-FQEVSTJZSA-N 365.481 2.753 0 50 FFAA COc1ccc(Cl)cc1C(=O)NC[C@@H]1CCO[C@@H]1c1nc(C)no1 888078410 OVKOVRYCNKNVNB-HZMBPMFUSA-N 351.790 2.548 0 50 FFAA CC(=O)c1cncc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)c1 888241030 ORUMKPPYJFUBHW-BETUJISGSA-N 354.410 2.545 0 50 FFAA Cc1cc(C)c2c(=NC(=O)Cc3cnc4c(C)cccn34)[nH]sc2n1 2100482593 KNBFIWLFTKFQGE-UHFFFAOYSA-N 351.435 2.867 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCOC2(CCC(N)CC2)C1 2325774938 IWGSCALPBJPVDD-UHFFFAOYSA-N 359.445 2.657 0 50 FFAA CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1)C(F)F 2325786957 MBSZRFLGGAZMOM-AWEZNQCLSA-N 361.392 2.857 0 50 FFAA Cc1ccc(-c2ccnc(N(C)[C@@H]3C[C@@H]4CNC(=O)C[C@@H]4C3)n2)c(C)n1 2356159845 SJSJSLCMKBYORS-XHSDSOJGSA-N 351.454 2.506 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@@]34CCCN(C3CC3)C4=O)CC2)cc1 2356165590 KMKWYQJEIFWIOE-JOCHJYFZSA-N 368.477 2.873 0 50 FFAA Cn1ncc2ncc(C(=O)N3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)cc21 2356168007 LTVFTJGDDSXDMS-CQSZACIVSA-N 374.448 2.940 0 50 FFAA CNC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 114567611 DULGFOTYBWKVHQ-MRXNPFEDSA-N 355.442 2.766 0 50 FFAA Cc1cccc([C@@H]2CCCCCN2C(=O)CCN2CCCS2(=O)=O)c1 172094716 CIABWXPMRNAKEM-SFHVURJKSA-N 364.511 2.864 0 50 FFAA COc1cc(NC(=S)NC(=O)c2csnn2)c(Cl)cc1Cl 1387602 DGVXSCKJMOQQCU-UHFFFAOYSA-N 363.251 2.980 0 50 FFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2ccncc2C1=O 1400959 RFWJFFNOYFZMOK-UHFFFAOYSA-N 356.691 2.796 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@H]1C=C[C@H]2C1 100199409 QABUSKAILYZTBL-VDUILEQBSA-N 365.170 2.603 0 50 FFAA Cc1ccc2[nH]c(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)cc2c1C 116760677 BCQKKQFJFCFKIV-ZDUSSCGKSA-N 353.344 2.678 0 50 FFAA COc1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 10327392 YFMMGDQFGSXVFA-UHFFFAOYSA-N 355.419 2.896 0 50 FFAA COc1ccc(OC[C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 10543654 HBFRFPGEACMKKJ-CYBMUJFWSA-N 353.415 2.721 0 50 FFAA Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 10861762 HIYZHWIKZDIRTG-QGZVFWFLSA-N 366.446 2.502 0 50 FFAA COc1ccccc1-n1cc(CN[C@@H]2COc3c(cccc3OC)C2)cn1 20323343 OFNGZEPRKMVUHB-KRWDZBQOSA-N 365.433 2.983 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(OC)nc3OC)nc2)C1 67725961 LVNGHUMUGMIUFM-AWEZNQCLSA-N 371.437 2.659 0 50 FFAA COc1ccc([C@H]2CC(=O)NCc3nc4cc(C)ccn4c32)cc1C(=O)O 65373397 DOGMXEOOEVLMKW-CYBMUJFWSA-N 365.389 2.501 0 50 FFAA CCC(CC)N1CCN(Cc2cc(OC)cc(OC)c2)[C@@H](CCO)C1 20205172 XJSVODVSYHMKSY-SFHVURJKSA-N 350.503 2.761 0 50 FFAA CC(C)n1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 77525492 QSEGPJXQUIQSNO-HXUWFJFHSA-N 352.482 2.779 0 50 FFAA COc1ccc(-c2nc(CN3CCS(=O)(=O)CC3)c(C)o2)c(C)c1C 71738688 YZKUFNLLXPRSJY-UHFFFAOYSA-N 364.467 2.506 0 50 FFAA Cc1cccc(Cc2nnc(CCC(=O)NCCN3CCCCC3)o2)c1 20598592 XRUOIISNXKTISB-UHFFFAOYSA-N 356.470 2.504 0 50 FFAA O=C(C[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 252484967 GLCLUEYMDRFVCO-MRXNPFEDSA-N 366.483 2.805 0 50 FFAA CN(C)C[C@@]1(O)CCCN(Cc2nc(-c3ccccc3Cl)no2)CC1 72133823 MEWGCUPCOAAJMB-GOSISDBHSA-N 364.877 2.669 0 50 FFAA CC1CCN(Cc2cccc(CNC(=O)[C@@H](C)C[S@@](C)=O)c2)CC1 253420736 LGTNPDGFZIEEKA-UPCLLVRISA-N 350.528 2.549 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cccnc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71708125 IHGUJXJZKIWPII-PWRODBHTSA-N 363.461 2.793 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)Cc3ccc(O)c(Cl)c3)C2)CCC1=O 72418972 IKJHUMGBCIBHEY-LJQANCHMSA-N 364.873 2.839 0 50 FFAA COc1ccc2[nH]cc(CCNC(=O)c3cn(-c4ccccc4)nn3)c2c1 72133112 KFEARUNKPGYIGR-UHFFFAOYSA-N 361.405 2.730 0 50 FFAA Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCc2ccccc2)n1 39383749 LGARTBVXKSREQW-UHFFFAOYSA-N 362.437 2.748 0 50 FFAA COc1ccc(CCCC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)cc1 77287967 JGKVZMVDYYOVDX-KRWDZBQOSA-N 369.465 2.873 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1cnc2ccccc2c1 457746455 XJAFWGQANXYFLB-IRXDYDNUSA-N 365.412 2.714 0 50 FFAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](CC(=O)O)C1 237528561 GDRYTECYSNFNTB-SMDDNHRTSA-N 359.344 2.586 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCC(N4CCOC4=O)CC3)c2c1 77436895 ZYWWHVXKCANDFP-UHFFFAOYSA-N 353.422 2.908 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)C3CCN(C(C)=O)CC3)C2)cc1 77541189 GXVXHCKXRFIWOQ-KRWDZBQOSA-N 374.481 2.571 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)Nc3ccc(Cl)nc3)C2)CCC1=O 77298087 VHVRRLXOYBYMQR-QGZVFWFLSA-N 350.850 2.991 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NCc2c(C)nn(C)c2C)CC1 174459315 QLZZPSHETRBGEM-UHFFFAOYSA-N 371.485 2.514 0 50 FFAA CN(C)S(=O)(=O)c1ccc(-c2c(C(C)(C)C)nc3ncccn23)cc1 426372008 IRFYOSYIAYTJBM-UHFFFAOYSA-N 358.467 2.944 0 50 FFAA CCC[C@H](NC(=O)c1cccc(-c2cnc(N)cn2)c1)c1nccn1C 426490687 WWNBFPSKRTYNNM-HNNXBMFYSA-N 350.426 2.731 0 50 FFAA CN(Cc1nccn1C)C(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 426627850 USXJCTVSMLGRGA-QGZVFWFLSA-N 359.449 2.538 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)c2ccc(F)cc2n1 85532968 GKDNZKOVIDNEOT-ZDUSSCGKSA-N 366.396 2.785 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCO[C@H](CCN)C3)cc2)c(C)c1 426727554 WCWGFWXLYILQOG-LJQANCHMSA-N 354.450 2.860 0 50 FFAA COc1cccc(C(=O)Cn2cc(-c3cccc(OC)c3)n(C)c2=N)c1 334157620 UHBWAXFKRKOTOV-UHFFFAOYSA-N 351.406 2.873 0 50 FFAA COc1cc(C)cc(OC)c1[C@@H](C(=O)O)N1CCC(N2CCCC2)CC1 95379299 PICFHICDPCRAEF-IBGZPJMESA-N 362.470 2.698 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N(C)CCCOc2c(C)cccc2C)n1 95353909 HGJPUYBEQUSSFZ-UHFFFAOYSA-N 363.483 2.711 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(c1nccc(-c3ccc(C)nc3C)n1)C2 95390780 JBZBWPRWOGRARH-QZTJIDSGSA-N 367.497 2.702 0 50 FFAA CC(C)CN(Cc1ccncc1)C(=O)c1cnc(-c2cccnc2)nc1O 91895180 LBKRTUVCNHMGFA-UHFFFAOYSA-N 363.421 2.938 0 50 FFAA CN(CCCn1cccn1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 426668509 XPXJCHCJJADPOI-IBGZPJMESA-N 373.476 2.891 0 50 FFAA COC[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2cccnc2)nc1C 97532215 USRCTGTUSKZVRT-SFHVURJKSA-N 362.433 2.835 0 50 FFAA OC[C@@H]1CN(Cc2ccsc2)CCC12CCN(Cc1ncc[nH]1)CC2 97347517 NSNOKIUANUENQI-KRWDZBQOSA-N 360.527 2.568 0 50 FFAA CCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C 95500313 OYSDPIGPHRPQNU-IBGZPJMESA-N 366.509 2.926 0 50 FFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1 97578409 OQCJPQBWPGYZBD-LBPRGKRZSA-N 367.380 2.641 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cc(-c3ccccc3)no1)C2 91819476 QTYWPYMAJNWKIZ-GOEBONIOSA-N 368.437 2.560 0 50 FFAA c1ccc(COc2ccc(CN3CCN(C4CCOCC4)CC3)cc2)nc1 97655474 BDHWWZBSCGIELO-UHFFFAOYSA-N 367.493 2.957 0 50 FFAA CNc1cc(C)nc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 91769105 YPHGEOJEOVFTNJ-KRWDZBQOSA-N 363.469 2.851 0 50 FFAA Cc1nc2cc(CC(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)ccc2[nH]1 244601730 DRCCGZGZIMICJI-QWFCFKBJSA-N 363.461 2.912 0 50 FFAA CC1=NC2(CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)C(=O)N1 244875062 XLYQAPGSVFNBLC-SFHVURJKSA-N 353.466 2.870 0 50 FFAA CSCC[C@H](NC(=O)c1c(C)cc(C)nc1O)c1nnc2ccccn12 252486170 HIJMRGMONSETFE-ZDUSSCGKSA-N 371.466 2.671 0 50 FFAA C[C@H](CCC(=O)NCc1cc(-c2ccc(F)cc2)no1)N1CCOCC1 252489414 JQORJBNVJUJMNX-CQSZACIVSA-N 361.417 2.598 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1)C(=O)O 252552024 ULUVSAUIWNKOPX-PIGZYNQJSA-N 370.409 2.766 0 50 FFAA COc1ccc2oc(C)c(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c2c1 299753604 YTUWUOXANJAKCO-CQSZACIVSA-N 361.394 2.846 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1Br 299742341 BFRRLAPYLVLXCX-NWDGAFQWSA-N 370.243 2.645 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cnc(O)c4ccccc34)[C@H]2C1 299777196 BDGYIEVBODWWGL-ASUYLVSUSA-N 356.422 2.739 0 50 FFAA COCc1nc([C@H]2CCOC2)cc(N2CCC(c3n[nH]cc3C)CC2)n1 299787760 YLFCIHKGOUDFKS-HNNXBMFYSA-N 357.458 2.542 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)C2(Cn3ccnc3)CC2)C1 299783548 WEQGICUVJHLWNM-GOSISDBHSA-N 352.482 2.577 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cnc(CN2CCCC2)s1 299802646 UURMHGPTBOAELY-OAHLLOKOSA-N 357.479 2.815 0 50 FFAA CNc1ncc(CN(C)C(=O)Nc2ccnn2C[C@H]2CC=CCC2)cn1 299793014 INYLVLYIDFNEDY-AWEZNQCLSA-N 355.446 2.735 0 50 FFAA Cc1c(C(=O)Nc2ccccc2OC[C@H]2CCCO2)cnc2ccnn12 828202346 FRPUTRAMGDQXHU-CQSZACIVSA-N 352.394 2.848 0 50 FFAA C[C@@H](NC(=O)c1ccc2nc(CO)[nH]c2c1)c1ccccc1-n1cccn1 828809026 XNIHMEBYBGMSJD-CYBMUJFWSA-N 361.405 2.732 0 50 FFAA Cc1nn(C)c(C)c1CN(C)C(=O)NC[C@H]1CCN(C2CCCCC2)C1 584888319 RDOBZBLDYLOALU-QGZVFWFLSA-N 361.534 2.833 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3cccc(C)c3F)C2)o1 952890632 XCBVGSUKBSHDFJ-OLZOCXBDSA-N 353.419 2.515 0 50 FFAA COc1ccc(C)cc1-n1cnc(C(=O)N2CCn3ncc(Cl)c3C2)c1 1875296760 NPHHEFAXAXBLDO-UHFFFAOYSA-N 371.828 2.695 0 50 FFAA O=C(Nc1ccc2ccc3cc[nH]c3c2n1)N[C@@H](CO)C[C@H]1CCOC1 1875307472 ZTTHSBWYJFCYNK-IUODEOHRSA-N 354.410 2.625 0 50 FFAA NCc1cccc(-c2ccc(C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)c1 1875349172 PKKAGFNKVNBRNG-FQEVSTJZSA-N 359.429 2.769 0 50 FFAA CN(C)C(=O)C[C@@H]1CN(Cc2ccccc2COC2CCCCC2)C[C@H]1O 1875398596 XQJOTGSCTWPRGL-TZIWHRDSSA-N 374.525 2.807 0 50 FFAA Cc1ccccc1CC(=O)N1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886095305 RCURNKFQQVUIMK-HXUWFJFHSA-N 353.466 2.674 0 50 FFAA CCc1nnc(O)c(CNC(=O)C2(OC)CCC(C(F)F)CC2)c1CC 888093028 YSANEQIIGQYUHG-UHFFFAOYSA-N 371.428 2.764 0 50 FFAA O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc2nc[nH]c2c1F 895857964 INNHYYFABPSDOO-UHFFFAOYSA-N 354.385 2.787 0 50 FFAA CC[C@H](C)Oc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)ccn1 273932665 WFEIRVBMGGMXOM-XIRDDKMYSA-N 360.454 2.859 0 50 FFAA CCCn1cc(C(=O)N[C@@H](c2nc(C(C)C)no2)C2CCOCC2)cn1 275459248 WVZMFYCIZLNXEJ-OAHLLOKOSA-N 361.446 2.697 0 50 FFAA CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C)C1=O 170595569 BEAMVLJNSDTZDS-FQEVSTJZSA-N 357.454 2.534 0 50 FFAA Cc1cccc(C[C@H](CO)NC(=O)c2c[nH]nc2-c2c(F)cccc2F)c1 191235862 FDDQNYCGUYSKCP-CQSZACIVSA-N 371.387 2.997 0 50 FFAA CCc1nc(C2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)n[nH]1 191493737 YFGPZJKOHJNYML-UHFFFAOYSA-N 356.455 2.839 0 50 FFAA O=C(CN1CCCN(Cc2cccs2)CC1)N1CCOc2ccccc21 1529187592 VSWDKZIIPQTNSA-UHFFFAOYSA-N 371.506 2.681 0 50 FFAA C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C 801691 AGPXDKZLKIFABY-FMIVXFBMSA-N 373.844 2.628 0 50 FFAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772815966 FFELYIATAJPXGT-HNNXBMFYSA-N 367.478 2.702 0 50 FFAA COc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)ccc1C 12571988 ANPJPKOBQYLOIG-QGZVFWFLSA-N 356.397 2.674 0 50 FFAA CCc1csc(CNC(=O)c2ccc(OC[C@]3(C)CCCNC3)nc2)n1 14972079 IQCRWFGTHWVCJM-LJQANCHMSA-N 374.510 2.799 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1 16649263 LXRIEDSRDMQHOW-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccnc2)CC1 19853011 AZXMEBMBGLAZMV-UHFFFAOYSA-N 367.474 2.741 0 50 FFAA O=C(N1C[C@@H]2CCOC[C@]2(C(=O)O)C1)C1(c2ccccc2)CCCCC1 1857669714 DBBVMRMMTZFAGW-LAUBAEHRSA-N 357.450 2.838 0 50 FFAA CC(C)NC(=O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704330216 FZPNJWSDYDLPNF-JOCHJYFZSA-N 364.493 2.948 0 50 FFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CC[C@@H]2[C@@H](C1)C2(F)F 1851103276 DPTVPMNIDQCZPQ-ZIAGYGMSSA-N 359.376 2.808 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(O)n2)CCN1 825162379 LQABLUOABCMRNY-OAHLLOKOSA-N 365.355 2.901 0 50 FFAA C[C@@H]1CN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)CC(=O)N1C 2325701005 FSJRRAHXEAMIQD-IZPAUZPXSA-N 369.396 2.715 0 50 FFAA COC(=O)CCc1cncc(NC(=O)[C@H]2CCNc3ccccc3C2)c1 2325804650 BTLJKRIVUMIREF-INIZCTEOSA-N 353.422 2.800 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCOCC[C@@H]2c2ccc(F)cc2)CC1 2325888474 VZYAAKFJHIZDCL-GOSISDBHSA-N 360.429 2.540 0 50 FFAA Cc1c(NC(=O)[C@H](C)Oc2ccccc2)c(=O)n(-c2ccccc2)n1C 682963 RMSGJMGRAPUGBL-HNNXBMFYSA-N 351.406 2.890 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2ccco2)cc1 1068508 JPGVTLZFMJDNDG-QGZVFWFLSA-N 364.467 2.597 0 50 FFAA Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1 1167563 LOZLLJDHKUMHBN-UHFFFAOYSA-N 366.240 2.985 0 50 FFAA COC[C@@]12COC[C@@H]1CN(c1nc(-c3ccccc3)nc3c1CCC3)C2 2356153084 QKPGSAUUORZQNT-KKSFZXQISA-N 351.450 2.732 0 50 FFAA CSc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 2847175 RYWLJGUHKIQMBE-UHFFFAOYSA-N 356.513 2.941 0 50 FFAA COc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1OC 4943594 LWOVBAAZKOOVPD-UHFFFAOYSA-N 353.378 2.613 0 50 FFAA biogenic Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)no1 6680880 IEEPOXJFKOITQN-JTQLQIEISA-N 369.468 2.717 0 50 FFAA Cn1ccnc1CN(C(=O)[C@H]1CCCC[C@H]1C(=O)NC(C)(C)C)C1CC1 55414995 KPOKTCQQIWLBBJ-CVEARBPZSA-N 360.502 2.632 0 50 FFAA COc1ccc(OC)c([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1 1427987 QFLFEPIHTAKQOB-HNNXBMFYSA-N 365.385 2.997 0 50 FFAA Cc1ccc(CN2C[C@@H](C(=O)NCc3sc(C)nc3C)CC2=O)cc1 55242249 CDCNJUUFVCPNJH-INIZCTEOSA-N 357.479 2.733 0 50 FFAA O=C(O)c1ccc(N2CCCCC2)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100727939 UIXOIIZNZCFWQM-LUVWLHFXSA-N 366.417 2.687 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC(CO)(Cc2ccccc2)CC1 67834294 BMKYXOQMSPUISY-UHFFFAOYSA-N 367.445 2.802 0 50 FFAA O=C1CN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)CCCN1 67919643 XSZUGNLDUNFGRM-UHFFFAOYSA-N 374.853 2.678 0 50 FFAA CCOC(=O)CN1CCC[C@H]1c1ccc(C(=O)NCc2ccncc2)s1 20637179 DZENFBQLMCGMMB-HNNXBMFYSA-N 373.478 2.773 0 50 FFAA Cc1cc(NC(=O)CN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)no1 252536715 JGQGGJPXBIETLN-NSCUHMNNSA-N 374.872 2.906 0 50 FFAA CN1C(=O)CCc2cc(C(=O)N3CCN=C(O)[C@H]3c3cccs3)ccc21 328811001 FACJUZIAAPOYAT-QGZVFWFLSA-N 369.446 2.811 0 50 FFAA O=C(CCn1cc(Br)cn1)NC1C2CC3CC(C2)CC1C3 2777777 RIMIYTSYTIEFSO-UHFFFAOYSA-N 352.276 2.977 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1Oc2ccccc2[C@H]1C 366125821 GOZXQBJGKRHPFS-BDJLRTHQSA-N 352.394 2.678 0 50 FFAA Cc1c(Cl)cccc1OCC(=O)NCc1ccc(-n2ccnc2)nc1 363348820 KFJOGUAUOHBEJM-UHFFFAOYSA-N 356.813 2.924 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@@H](CO)Cc3ccccc3)c12 72476380 QNUMPTSYHCHJMJ-MRXNPFEDSA-N 374.448 2.749 0 50 FFAA CC[C@@H]1CN(C(=O)c2cnc(C)nc2C)CCC(=O)N1Cc1ccccc1 71754261 NTACNAAZHIDLRN-GOSISDBHSA-N 366.465 2.747 0 50 FFAA CCn1ccnc1CN1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 71747912 XNXNFAYOPIWZKC-KSEOMHKRSA-N 366.509 2.974 0 50 FFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H]2CC[C@H](C1)N(C)C2=O 72407764 KCDACYUXCCDPEV-QWHCGFSZSA-N 373.840 2.996 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@H]1CC(=O)Nc2ccccc21 237599447 UACSJFQMNOEEFZ-DOTOQJQBSA-N 352.390 2.753 0 50 FFAA CC(C)NC(=O)CCN1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72439710 KWNCZXLTUYYMMN-QFIPXVFZSA-N 371.525 2.806 0 50 FFAA Cn1cc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 77379178 HWWYXJVFAYGWHT-AWEZNQCLSA-N 353.401 2.969 0 50 FFAA CC(C)[C@@H]1CN(S(=O)(=O)C(C)C)CCC(=O)N1Cc1ccc(F)cc1 71730255 GBIZFTTVIQOCBN-KRWDZBQOSA-N 370.490 2.623 0 50 FFAA Cc1ncc(CC(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c(=O)[nH]1 71750549 USXZZVHMMOVVBA-HNNXBMFYSA-N 357.429 2.631 0 50 FFAA COc1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3O)n2)cc1OC 33838114 SVEOQDYASRGJDY-UHFFFAOYSA-N 370.317 3.000 0 50 FFAA O=C1C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)C2(CCCC2)O1 77471483 LITVKIAHOAGEQU-MRXNPFEDSA-N 362.495 2.658 0 50 FFAA CCCCOCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 72406995 RRDZRWHARBZULB-OAQYLSRUSA-N 373.497 2.630 0 50 FFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NCc1ccnc(OCC2CC2)c1 241121859 JEICMMNKMFTZKY-NSISKUIASA-N 359.514 2.849 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCC[C@@H]1c1nc(-c2ccncc2)no1 72164284 WAHNEMKWJQNWIA-MRXNPFEDSA-N 364.409 2.642 0 50 FFAA Cc1csc2ncc(C(=O)Nc3nc(-c4ccccn4)cs3)c(=O)n12 49544325 QSSCVZMOOISQDX-UHFFFAOYSA-N 369.431 2.835 0 50 FFAA CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C)c3)C[C@@]23C=C[C@H]1O3 226888521 ZDCDBZQIBWZIQY-NNFUDEMPSA-N 361.825 2.888 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 290267439 AUHUHIGNHHTWSU-DZGCQCFKSA-N 359.861 2.718 0 50 FFAA COc1cc([C@@H](C)NC(=O)N2CC(c3ccccn3)C2)cc(OC)c1OC 426690779 XZBFNNKVROULJI-CYBMUJFWSA-N 371.437 2.977 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)c(C)c1 20357074 WGLJQNUVMLHVGA-UHFFFAOYSA-N 362.470 2.949 0 50 FFAA Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1 40071763 LQGHMUUJIUYFIB-UHFFFAOYSA-N 358.463 2.596 0 50 FFAA COc1ccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)c(C)c1C 221427906 ZPSHQAHHNLRPDF-HXUWFJFHSA-N 372.513 2.509 0 50 FFAA COc1ccc2c(c1)cc(C(=O)N[C@@H](C)c1cn3ncsc3n1)n2C 91779857 SKZNMEIHGSADME-JTQLQIEISA-N 355.423 2.782 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2nn(C)c3c2CCCC3)C1 91382114 CUSCMQLARIATRF-HXUWFJFHSA-N 359.470 2.962 0 50 FFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccn1C1CC1)C2 91706498 UGTZSQVPWNCCIN-MAUKXSAKSA-N 364.449 2.595 0 50 FFAA Cc1nonc1CSc1nnc([C@@H](C)N)n1-c1cccc(Cl)c1 426534479 PLVWKEJCUFVOEZ-MRVPVSSYSA-N 350.835 2.924 0 50 FFAA CC(C)C[C@H](NC(=O)Nc1ccc(-n2cccn2)cc1)c1ncnn1C 96142047 XYLGMARQXIAASC-INIZCTEOSA-N 353.430 2.910 0 50 FFAA CC(C)=CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95379160 KSNJXOGZYOALFH-ZLGUVYLKSA-N 354.450 2.770 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3ccc([C@H]4CCCNC4)cc3)CC2)n1 95390127 JTIIFRMYKLFSDC-IBGZPJMESA-N 368.481 2.940 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 268997507 XEQYUONBRGFGFS-SNVBAGLBSA-N 371.233 2.650 0 50 FFAA O=C1OCCCN1CCNC1CCN(c2nc3ccccc3s2)CC1 95531624 IHAWIZCHYWLSSS-UHFFFAOYSA-N 360.483 2.697 0 50 FFAA CC[C@@H]1CN(C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)CCN1C(C)C 91908402 YGFBGKSLBWTQPF-QGZVFWFLSA-N 368.481 2.690 0 50 FFAA COCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc[nH]c2C)CC1 95522665 TURGNAFBNGPZTJ-UHFFFAOYSA-N 370.497 2.719 0 50 FFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95384459 NYVBEKWJXAPRLK-DNVCBOLYSA-N 361.873 2.606 0 50 FFAA COc1cccc([C@@H]2CCN(Cc3cccc(OCC(N)=O)c3)C2)c1OC 97698758 LYRSJRNXFJPEQI-MRXNPFEDSA-N 370.449 2.557 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCCN(C(=O)c3cccs3)C2)c(C)n1 91952376 AEAUYUUQIMDHLC-CQSZACIVSA-N 360.483 2.698 0 50 FFAA Cc1cc2cccc(C(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@H]3O)c2o1 244828649 UABUMZZIGGVSQJ-RTBURBONSA-N 365.433 2.501 0 50 FFAA O=C1C[C@@H](Sc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@H]2CO[C@H]1O2 102999529 ZLTUGECJMUJHCW-WZRBSPASSA-N 360.357 2.549 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CCO[C@@H](CCN)C3)c2)cc1OC 299784436 LVRAXVXMQWMOMR-SFHVURJKSA-N 370.449 2.561 0 50 FFAA COc1ccc2[nH]c(C(=O)N3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)c(C)c2c1 299778452 QKPXJIBYMIDRIZ-ASUYLVSUSA-N 358.438 2.629 0 50 FFAA Cc1cc(-c2cccc(C(=O)N(C)C[C@@H](O)CO)c2)c(Cl)cc1F 584884699 VBHQNRZSJJEQJT-CQSZACIVSA-N 351.805 2.880 0 50 FFAA CCc1oc(C(=O)NCCCc2csc(N)n2)cc1CN1CCCC1 823570742 NEEPMCMBHDMING-UHFFFAOYSA-N 362.499 2.839 0 50 FFAA CCn1c(C2CCN(Cc3ccc4cc(F)ccc4n3)CC2)nn(C)c1=O 67649523 BCZXDPJISSQOMU-UHFFFAOYSA-N 369.444 2.669 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)[C@H]3CCOc4c(F)cccc43)CC2)CC1 1875386445 QLMGCYLMAOSONX-INIZCTEOSA-N 372.440 2.765 0 50 FFAA O[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1NCc1cccc2c1COCC2 1875399673 HAKVZUGTLLZUBL-UPRAQXHNSA-N 361.873 2.539 0 50 FFAA CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)Cc1cccnc1Cl 874591488 UYMMJYRACOQGLP-HNNXBMFYSA-N 359.813 2.761 0 50 FFAA CC(=O)NCc1ccncc1O[C@H]1CCN(c2nc3ccccc3o2)C1 952849145 IGXQVTUFHAHWRM-HNNXBMFYSA-N 352.394 2.517 0 50 FFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cccc(Cl)c1 952991176 PNRWGGLGXNGDFC-CYBMUJFWSA-N 370.902 2.752 0 50 FFAA O=C(N[C@H]1CCN(Cc2cscn2)C[C@@H]1O)c1ccc2ccccc2c1 1565513579 QPURSKOLSAKKQX-OALUTQOASA-N 367.474 2.662 0 50 FFAA CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(OC)cc2)C3)n1 1565527554 BRBBNLLDLUEXMO-MSOLQXFVSA-N 368.481 2.648 0 50 FFAA CCc1nc2ccccc2n1Cc1noc(C2(S(C)(=O)=O)CCCC2)n1 274100928 WTUNRKHWSBQKPR-UHFFFAOYSA-N 374.466 2.844 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1nnc(-c2ccccc2)o1 275346899 UCTGJSDYIDKXEM-YJBOKZPZSA-N 353.426 2.707 0 50 FFAA CC(C)(C)OC(=O)[C@@H]1[C@H](CN[C@@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 170089086 GNTBGPAULDJTDJ-IKGGRYGDSA-N 364.530 2.981 0 50 FFAA CC(C)CN(CC(N)=O)C(=O)c1cc2sc(N3CCCC3)nc2s1 281020262 XNJWPDFYLCGISE-UHFFFAOYSA-N 366.512 2.542 0 50 FFAA O=C(Nc1ccc(-c2ncco2)cc1)N1CCC(Cn2cncn2)CC1 189254286 MCZJUEXILOSQNS-UHFFFAOYSA-N 352.398 2.877 0 50 FFAA COc1ccc(OC)c(CN(CCO)C(=O)c2ccc3c(c2)CCC3)c1 111636525 ZGFLBZNFNBHYEW-UHFFFAOYSA-N 355.434 2.827 0 50 FFAA Cc1ccc(-n2[nH]nnc2=NC[C@H](O)c2ccc(C(C)(C)C)cc2)cc1 734834053 ZQBFUHXGDGZPEF-SFHVURJKSA-N 351.454 2.836 0 50 FFAA CCO[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 194337954 IHEHGUNJNHSFGH-FQEVSTJZSA-N 353.466 2.940 0 50 FFAA CO[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)C[C@H]1Cc1cc(C)no1 1529112584 NMRPFCVBBRLEGE-BEFAXECRSA-N 367.405 2.968 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc4nc(C)sc4c3)C[C@H]2O)on1 1704337318 QMAIZPDEEYMTMD-CZUORRHYSA-N 357.435 2.577 0 50 FFAA O=C(c1ccc2ccccc2n1)N1CCCN(C[C@H]2CCCOC2)CC1 1772710436 RCAAANCWTVBFJO-QGZVFWFLSA-N 353.466 2.809 0 50 FFAA Cc1cccc(C(=O)N2CCCN(C(=O)c3cccn3C3CC3)CC2)n1 1772709273 KGENETUYKLTPAT-UHFFFAOYSA-N 352.438 2.515 0 50 FFAA COc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N1CCCCC1 5578744 XDBSRZNQXVEVEC-UHFFFAOYSA-N 366.483 2.999 0 50 FFAA CC(C)OCCCNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11957832 HMJWXNMHMODWHI-QGZVFWFLSA-N 364.461 2.538 0 50 FFAA O=C(CCc1ccco1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 12707221 IBAQRTNYMRKXCI-INIZCTEOSA-N 360.841 2.825 0 50 FFAA COc1ccc2c(C(=O)N3CCSCC3)cc(-c3cn[nH]c3)nc2c1 19794420 XDOREBICIUEKJL-UHFFFAOYSA-N 354.435 2.823 0 50 FFAA Cc1cccc(CN2CCC3(CC2)CN(Cc2ncc[nH]2)C[C@@H]3C(=O)O)c1 1857681213 CJZYENYMKOTRRF-GOSISDBHSA-N 368.481 2.517 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@]23CC[C@H]1O3 1857740730 XETMZBKBHLVEPO-QEUVDIPISA-N 360.473 2.716 0 50 FFAA CCCO[C@@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@H]1NC(=O)c1ccccn1 1875242522 WKXUWNRCTBSOPJ-YQVWRLOYSA-N 373.497 2.788 0 50 FFAA CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 329863125 RPKRYENDKLBJHP-SJORKVTESA-N 370.453 2.834 0 50 FFAA COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCNC1 126190844 JXFPRRMYJKKQQS-HNNXBMFYSA-N 362.433 2.640 0 50 FFAA Cn1c(C(=O)N(CCC(=O)O)C2CCOCC2)ccc1-c1ccccc1 237709585 DDLXBJULTGYMAW-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccco2)C[C@H]1N1CCOCC1 246179506 TVTCJDXIKNRIQC-YVWKXTFCSA-N 369.465 2.731 0 50 FFAA C[C@H]1OCC[C@@]12CN(C(=O)NCC1(c3ccc(F)cc3F)CC1)CCO2 366319574 SQRMUEIZRLUNGN-BFUOFWGJSA-N 366.408 2.586 0 50 FFAA O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 262901849 IUAXRTXBBGYYTB-ZDUSSCGKSA-N 364.401 2.545 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)o1 162865413 SOAQTDIRBQMSJF-KXBFYZLASA-N 374.462 2.729 0 50 FFAA COc1cccc(F)c1CN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704355451 NEKOTEUOQXOQNL-FPOVZHCZSA-N 373.424 2.715 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 1061066 KFBUEHXCGLWSPZ-QGZVFWFLSA-N 365.389 2.583 0 50 FFAA NC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 907933 YCGHFJPOWUYQNW-CYBMUJFWSA-N 358.419 2.504 0 50 FFAA CC(C)CN(C(=O)N1CC(n2ccnn2)C1)[C@@H]1CCCc2cccnc21 2325774443 AJZJQFLHWDCFJS-QGZVFWFLSA-N 354.458 2.685 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CCNC(=O)c1cc2c([nH]1)CCCNC2 2325820863 VOBSUBCGLFRMQF-UHFFFAOYSA-N 354.429 2.952 0 50 FFAA CC(C)c1nc(-c2cnn3c2CCC[C@H]3C)n([C@H]2CCS(=O)(=O)C2)n1 2325849390 NZNWDABFCDCVGP-OLZOCXBDSA-N 363.487 2.522 0 50 FFAA COc1cc(NC2=NS(=O)(=O)c3ccccc32)c(OC)cc1Cl 818868 ZWRBHHOHKHUOGE-UHFFFAOYSA-N 352.799 2.918 0 50 FFAA CCOc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 821351 KBNPZJQVUPDCKX-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CN(C(=O)OC(C)(C)C)[C@@H](CCC(=O)OCc1ccccc1)C(=O)O 2391125 NEJPFSNBCOTZHN-AWEZNQCLSA-N 351.399 2.830 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1F 2853320 ARZZYNDWJHQTSG-UHFFFAOYSA-N 358.341 2.509 0 50 FFAA O=C(Cn1ccnc1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157456 LWAAROAJIRJKMQ-JOCHJYFZSA-N 373.460 2.847 0 50 FFAA CCC[C@H]1[C@H]2C[C@H](CN(c3ncc(C)c(N(C)C)n3)C2)c2cccc(=O)n21 2356163110 XYDVNLILOZKWEU-BBWFWOEESA-N 367.497 2.978 0 50 FFAA O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4183803 VTKDNOOWBIARLM-YWPYICTPSA-N 370.352 2.852 0 50 FFAA Cc1nn(C(=O)c2ccccc2)c(C)c1S(=O)(=O)N1CCCCCC1 4375814 WOKINLIIEDEEQF-UHFFFAOYSA-N 361.467 2.753 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(CSc2ncn[nH]2)o1 55369364 DZAIBJODLQJJAK-GFCCVEGCSA-N 350.444 2.721 0 50 FFAA Cc1nc(NC(=O)NCCc2nccc(-c3ccccc3)n2)nn1C(C)C 23580785 NSYLMHLFPVAVEJ-UHFFFAOYSA-N 365.441 2.989 0 50 FFAA COc1cccc2c1OCCCN(Cc1cc(C)n(-n3cnnc3)c1C)C2 67694669 CQABOHOWZJMPNK-UHFFFAOYSA-N 367.453 2.801 0 50 FFAA C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O 24984531 PUUVGCRQVSAIAQ-SECBINFHSA-N 361.760 2.682 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cccc(F)c3)nn2)n1 65362292 YBCYKPQKIIMGEU-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCn1nc(C(=O)O)c2c1CC[C@@H](N1CC(OCc3ccccc3C)C1)C2 67770616 QVVNYIYIBSDKQC-MRXNPFEDSA-N 369.465 2.668 0 50 FFAA CC(=O)c1cc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)cs1 23358771 GJOSIVSIZWYCFK-KRWDZBQOSA-N 362.495 2.921 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)c1ncnc2sc3c(c12)CCNC3 65380872 OCENYYNZBSVMIF-UHFFFAOYSA-N 372.498 2.945 0 50 FFAA COCC(=O)Nc1cccc(-c2nc(C)nn2-c2ccc(OC)cc2)c1 65492901 KVERFRLVJWOICO-UHFFFAOYSA-N 352.394 2.836 0 50 FFAA Cc1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)nc(N(C)C)n1 252502263 UOXXNBSKRDFLLH-UHFFFAOYSA-N 353.470 2.702 0 50 FFAA N[C@@H](C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2)c1ccccc1 328636160 NWTIMEWIRAQCBS-QZTJIDSGSA-N 355.507 2.919 0 50 FFAA O=C(O)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 3883140 XYHSYEXRCKCHNN-CYBMUJFWSA-N 359.325 2.810 0 50 FFAA CCn1c(=O)n(CC(=O)N2CCc3c(F)ccc(F)c3C2)c2ccccc21 438136764 FSLYCGJWVDOSRM-UHFFFAOYSA-N 371.387 2.686 0 50 FFAA Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 71257465 YOZBGTLTNGAVFU-UHFFFAOYSA-N 352.346 2.856 0 50 FFAA investigational COc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)cc1 36385825 SMTOTAGCKNAJIZ-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA Cc1ccc(NC(=O)N2C[C@@H]3CCNC[C@@H]3C2)cc1C(=O)N1CCCCC1 333246811 BWWRFSMMAHMDOQ-DLBZAZTESA-N 370.497 2.694 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3noc([C@H]4CCCO4)n3)cc2)n1 77385267 KQVJRFKDFBTDLM-MRXNPFEDSA-N 367.409 2.654 0 50 FFAA Cc1cnc(C)c(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72431188 CSLBAZDZLNJOSL-UHFFFAOYSA-N 367.409 2.630 0 50 FFAA Cn1ncc2c(N3CC[C@@]4(O)CCCC[C@H]4C3)nc(-c3ccncc3)nc21 72169637 FOLYAPXLMASWII-YWZLYKJASA-N 364.453 2.557 0 50 FFAA O=C(NCc1ccc(F)c(Cl)c1)c1cn(CC[C@H]2CCCCN2)nn1 77553655 COMCTAZTDQOORG-CYBMUJFWSA-N 365.840 2.533 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C[C@]1(O)CCCN(CC2CC2)C1=O 14973462 WEXRXHFABGDJKQ-OAQYLSRUSA-N 369.465 2.537 0 50 FFAA O=S(=O)(NCc1ccccc1)Nc1ccccc1OC[C@@H]1CCCO1 71762878 KYAKREXKQFKFPY-INIZCTEOSA-N 362.451 2.691 0 50 FFAA COCc1csc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)n1 377880110 RSQUTBDSXCUMFL-OAHLLOKOSA-N 358.467 2.958 0 50 FFAA CC[C@H](CO)N(Cc1ccncc1)C(=O)c1cc(-c2ccccc2)n(C)n1 215792161 WKQTVZSFEMDRHL-GOSISDBHSA-N 364.449 2.895 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1n[nH]cc1Cl 72126568 RBYQFTHMCJQNPV-AWEZNQCLSA-N 368.824 2.747 0 50 FFAA CN(Cc1cc2n(n1)CCCN(CCc1ccccc1)C2)Cc1ncc[nH]1 72163545 ASRJSMCQKYIOAP-UHFFFAOYSA-N 364.497 2.687 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC(OCc2cccnc2)CC1 77379858 OUOICDGBYAETLE-UHFFFAOYSA-N 354.406 2.561 0 50 FFAA C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 176685233 YYOPDJSJGMAQSC-DOMZBBRYSA-N 374.391 2.658 0 50 FFAA CC(C)CN(C)CCN1CC2(CCN(C(=O)c3ccccc3)CC2)OC1=O 77406188 HNAKDBADZZWTGD-UHFFFAOYSA-N 373.497 2.701 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1scc2c1OCCO2 223372905 YDDYGXCQRWDSRK-UHFFFAOYSA-N 356.403 2.876 0 50 FFAA C[C@H](C(=O)NCCN1CCNC1=O)c1ccc(-c2ccccc2)c(F)c1 223414855 PZTQWAYSZUUCIH-AWEZNQCLSA-N 355.413 2.738 0 50 FFAA CN(C)c1ccc(CC(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1 82137493 LKNVWTNLCDZJKO-IBGZPJMESA-N 357.498 2.689 0 50 FFAA COc1cccc(OCC(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c1 82166299 VEPAHMSUZYBBEZ-INIZCTEOSA-N 368.433 2.646 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Cl)cc1 239038647 DPLNQFIZXCWJQZ-UGDFAFBOSA-N 370.836 2.704 0 50 FFAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)[C@H]1CCCO1 239359512 AEKBNYBDVNZRKR-SLEUVZQESA-N 370.371 2.742 0 50 FFAA CCC[C@H](CNC(=O)c1cccc(-c2ccc(C(N)=O)cc2)c1)N(C)C 426434012 IHIGWZSODKVCSX-LJQANCHMSA-N 353.466 2.913 0 50 FFAA CCOC[C@H]1CCCN1C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 426701609 MUMIFOVIMHIBFU-MRXNPFEDSA-N 365.495 2.539 0 50 FFAA CCc1ccccc1C(=O)N1CCC2(CCC(=O)N([C@@H](C)C(=O)O)C2)CC1 91860757 IYOKNWCJOBREBJ-HNNXBMFYSA-N 372.465 2.567 0 50 FFAA COc1ccc2c(c1)[C@@H](c1nc(C3CCCC3)nn1CC(=O)O)CC(=O)N2 97099369 WQSDKXKDRIGYRG-AWEZNQCLSA-N 370.409 2.503 0 50 FFAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1cccc(-n2cnnn2)c1 334160670 JOOSUACGCJBBHJ-SFHVURJKSA-N 358.405 2.951 0 50 FFAA O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc(CN2CCOCC2)on1 23506929 NMKREEBWJZVORE-UHFFFAOYSA-N 374.828 2.572 0 50 FFAA O=C(NCCSCc1ccccc1)[C@H]1CC(=O)N(c2cccc(O)c2)C1 97436770 IFGLYBFBOHEZRC-INIZCTEOSA-N 370.474 2.795 0 50 FFAA COc1ccc([C@@H](C(=O)O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C 95387867 HMPZBHKMRZOGEG-IBGZPJMESA-N 374.481 2.854 0 50 FFAA O=C1N(C2CCOCC2)CCC[C@@]12CCN(CCOc1ccccc1)C2 91416750 PXGMYLCYRAANIR-NRFANRHFSA-N 358.482 2.559 0 50 FFAA CCCN1CCC(CC(=O)NCc2csc(N3CCCC3)n2)CC1 95522652 WMPNKJBWOMYQPA-UHFFFAOYSA-N 350.532 2.872 0 50 FFAA CCN(C)S(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 91586028 CVUMNWGGRCSAHS-QGZVFWFLSA-N 362.499 2.653 0 50 FFAA CC[C@@H](C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91351246 ZWRFTUSXEOGBLU-QGZVFWFLSA-N 372.513 2.837 0 50 FFAA Cc1cc(N2CCC(c3n[nH]c(C)n3)CC2)nc(-c2ccccc2O)n1 92028492 VMILIVYDATUHAT-UHFFFAOYSA-N 350.426 2.968 0 50 FFAA Fc1ccc(-n2cccn2)c(-c2cn(Cc3cn4c(n3)SCC4)nn2)c1 91678516 NTNQIQGUTRMOPB-UHFFFAOYSA-N 367.413 2.620 0 50 FFAA CCCCS(=O)(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91563360 DDSZAOHVLXQOCH-UHFFFAOYSA-N 362.499 2.636 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)c3ccnnc3)CC2)c1 95510554 YJTWWDHKIOPGHG-UHFFFAOYSA-N 368.437 2.756 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCC(N2CCSCC2)CC1 95380597 ZBRZRLOYKIUNLZ-SFHVURJKSA-N 364.511 2.643 0 50 FFAA O=C(CCN1CCCC[C@@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 243956719 CCPISCXIWRCGRI-GOSISDBHSA-N 365.437 2.807 0 50 FFAA COC(=O)c1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)ccc1Cl 245226730 JQXZJDFFNQQQHW-MZUWNQQASA-N 357.793 2.684 0 50 FFAA O=C(CC1(n2cccc2)CCCCC1)NCCc1nnc2ccccn12 253412585 RKXXMIGDMQRGOF-UHFFFAOYSA-N 351.454 2.939 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1 299752977 WHAYBHGUFMSGMM-ZWNOBZJWSA-N 361.316 2.644 0 50 FFAA O=C(O)[C@H](Cc1ccccc1)NC1CCN(C(=O)c2ccccc2)CC1 534658115 TXRHCGMJASUMGK-IBGZPJMESA-N 352.434 2.577 0 50 FFAA CN1C[C@H]2CN(C(=O)c3cccc(-c4ccc5[nH]ccc(=O)c5c4)c3)C[C@H]2C1 584889965 CYYROXAYSFXAIO-KDURUIRLSA-N 373.456 2.829 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)N(C)CCCn1nc(C)cc1C 823118792 DMHQAROEOATNHN-FQEVSTJZSA-N 354.498 2.795 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccc(CN(C)C)cc3)nn(C)c21 1875401431 XYOFNABSZFHKKP-CABCVRRESA-N 370.497 2.776 0 50 FFAA Cc1ncc(C)c(N[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@]4(C3)CC4(F)F)C2)n1 1875408121 PABJAPBWMXDWDW-AYMQEEERSA-N 350.413 2.978 0 50 FFAA COC12CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@]3(Nc3ncccn3)C4)(CC1)C2 1875406612 IGKQJQVPDPZLII-HIRITYNNSA-N 356.470 2.665 0 50 FFAA COc1ccc(F)c(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c1F 952891266 ZDDSDXJQKLUFRT-MNOVXSKESA-N 351.353 2.806 0 50 FFAA CC(C)(C)c1nn(C(C)(C)C)cc1C(=O)NCc1n[nH]c2c1COCC2 1875296521 AYRBKRAJXCIXSJ-UHFFFAOYSA-N 359.474 2.661 0 50 FFAA CCN(C(=O)c1ncoc1C)[C@@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 1875302352 MDTNVSMTHMXHLB-CQSZACIVSA-N 357.458 2.812 0 50 FFAA Cc1cc(C(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c2cc(F)ccc2n1 952974755 KDLLAOONAHYXTO-QGZVFWFLSA-N 373.472 2.847 0 50 FFAA C/C(=C\C(=O)N1CCC[C@](O)(Cc2nc(C)no2)C1)c1ccccc1C 886096526 LEPUGKVLWYIWCC-RNTFSAEZSA-N 355.438 2.686 0 50 FFAA CC(C)NC(=O)Cc1ccc(NC(=O)N2CCO[C@](C)(C3CC3)C2)cc1 888101912 KIATZVYWRVZRPZ-FQEVSTJZSA-N 359.470 2.787 0 50 FFAA Cn1nc(C2CCOCC2)cc1C(=O)Nc1ccc(OC(F)F)cn1 1351973117 YPZJUWGEACBSSN-UHFFFAOYSA-N 352.341 2.563 0 50 FFAA C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCC1=CCCCCC1)C2=O 170596743 PHYRNXPCLVNCIB-YWZLYKJASA-N 361.486 2.884 0 50 FFAA CCC[C@@H](NC(=O)c1c(C)ccn1C)C(=O)N1CCc2sccc2C1 189626087 ZEZUVXZPUOEOEJ-OAHLLOKOSA-N 359.495 2.878 0 50 FFAA COc1ccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cc1OC(F)F 225400088 DEZLTFVIGBRLIX-FDYHWXHSSA-N 354.353 2.938 0 50 FFAA CCOC(CC(=O)N(C)CC(=O)Nc1ccccc1SC)OCC 225580898 MZJSTWNTAKKKQK-UHFFFAOYSA-N 354.472 2.595 0 50 FFAA Cc1cccc([C@@H](C(=O)O)N2CCN(CCc3ccccc3)C(=O)C2)c1 1506422620 ACXQNMKRXBKLBP-FQEVSTJZSA-N 352.434 2.508 0 50 FFAA CC(C)CCN1C(=O)CC[C@@H]2CN(C(=O)c3cnn4c3CCCC4)CC[C@@H]21 221966735 XWZOCQZIHPBYQE-AEFFLSMTSA-N 372.513 2.719 0 50 FFAA CC(=O)c1cc(CN2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)n(C)c1 1615950144 IERMNLXLVLCNKA-AVRDEDQJSA-N 363.461 2.811 0 50 FFAA CCn1ccc2c(CN3CCCN(C(=O)[C@@H]4CCOC4)CC3)cccc21 1775978787 VSSDEXMDHBATDB-GOSISDBHSA-N 355.482 2.732 0 50 FFAA O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cn(CCc2ccccc2)nn1 11843253 JCWZTBPFANKSBM-AZUAARDMSA-N 367.497 2.515 0 50 FFAA Cc1[nH]cnc1CN1CC(=O)N(CC(C)C)C[C@H](OCc2ccccc2)C1 14745111 LYMMQUNGBAVRNU-LJQANCHMSA-N 370.497 2.604 0 50 FFAA CN(CCC1CCOCC1)C(=O)[C@@H]1CCC(=O)N(CCc2ccccc2)C1 14970876 TUNKOQPDLOVQLU-HXUWFJFHSA-N 372.509 2.743 0 50 FFAA CCn1cc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cn1 15076316 AQQXRSAWKMBNRE-LJQANCHMSA-N 367.497 2.672 0 50 FFAA O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2 206242017 RKCAGIGPWNXESG-QGZVFWFLSA-N 367.380 2.564 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4cccc(F)c4)CC3)n[nH]c21 1857528671 NQQIDEOCIGEHDD-OLZOCXBDSA-N 358.417 2.533 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2cccc3cnccc23)cn1 1857692315 ZASDNWYHKIWGFC-UHFFFAOYSA-N 360.421 2.810 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C3CCSCC3)C[C@]23CC[C@H]1O3)c1ccccc1 1857726704 AIUICUMREHAPNN-QEUVDIPISA-N 372.534 2.791 0 50 FFAA CCC[C@]1(CO)CCN(C2CCN(c3ccc(F)cc3C)CC2)C[C@H]1O 1875243108 QJZFBGACIJPTLL-NHCUHLMSSA-N 364.505 2.948 0 50 FFAA OCC[C@H]1CN2C[C@@H](n3ccnc3-c3ccc(F)c(Cl)c3)C[C@H]2CO1 1875246097 IISRVNBFRZTESO-KKUMJFAQSA-N 365.836 2.739 0 50 FFAA C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 333308464 NAEXATYWDSVVJG-ZBEGNZNMSA-N 354.859 2.618 0 50 FFAA CNC1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 237114779 JSVDMOOVURDAQX-FQEVSTJZSA-N 365.477 2.758 0 50 FFAA Cn1nc(C(F)F)c2cc(C(=O)N[C@H]3CCc4n[nH]cc4C3)sc21 472146416 WPJUIXDJAQVMIG-QMMMGPOBSA-N 351.382 2.583 0 50 FFAA CN1CCC2(CCC(NC(=O)c3cccc(-n4ccnn4)c3)CC2)CC1 908498292 IJFPUTVAISMCFY-UHFFFAOYSA-N 353.470 2.652 0 50 FFAA CC(C)(C)n1ccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)O)n1 910102132 BGWUBTXSBYFNTK-HXUWFJFHSA-N 355.438 2.940 0 50 FFAA CC(=O)Nc1cccnc1C(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1 924362348 VSTPSZOEVSWUIM-AWEZNQCLSA-N 358.467 2.900 0 50 FFAA CCc1ccccc1N(CC(=O)NC1CCCCCC1)S(C)(=O)=O 1112656 UOMRFPKNOHSWKO-UHFFFAOYSA-N 352.500 2.854 0 50 FFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1Cl 1134165 KEHXNTHLNHZCFW-UHFFFAOYSA-N 363.826 2.574 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1 2877036 LRRAEZRWCGHHSG-UHFFFAOYSA-N 358.891 2.551 0 50 FFAA O=C(O)c1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4990749 URLQRALSKKXTKO-RMKNXTFCSA-N 350.418 2.856 0 50 FFAA CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)c1 4997590 FMRJHYRLMHGWAY-UHFFFAOYSA-N 353.403 2.857 0 50 FFAA O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccco1 8023413 WFCWWJPTMKCJKD-QGZVFWFLSA-N 356.403 2.620 0 50 FFAA Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c(C)c1C 114209628 FTWLWNPHGFFXDJ-QGZVFWFLSA-N 362.499 2.846 0 50 FFAA CC(=O)N(c1nc(CN2CCC(Nc3cccnn3)CC2)cs1)C1CC1 114719437 ZZUNIRRZKNRFTB-UHFFFAOYSA-N 372.498 2.525 0 50 FFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](NC1CCCC1)CC2 20451069 GSSCGFGEMXPDIC-OAHLLOKOSA-N 356.470 2.675 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)ccc1-n1cccc1 23505539 JOSOIDDVQOARRY-QGZVFWFLSA-N 362.433 2.889 0 50 FFAA Cc1nccn1CCCn1c(=O)n(CC2CC2)c2ccc(C(=O)O)cc21 55341237 WSWBUTMLCGDEIB-UHFFFAOYSA-N 354.410 2.506 0 50 FFAA COC(=O)N1CCC2(CCC(N3CCN(c4ccncc4)CC3)CC2)CC1 67712885 YIBBCMCDULOLDV-UHFFFAOYSA-N 372.513 2.995 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 67725662 QUQMFACHZLAZFZ-JOCHJYFZSA-N 370.468 2.902 0 50 FFAA CCCCn1nnnc1NC(=O)N(C)Cc1cn[nH]c1-c1ccc(F)cc1 23507029 OLYLBPNEMDNFQI-UHFFFAOYSA-N 372.408 2.666 0 50 FFAA CN(CCN1CCOCC1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 23375192 JCPHWODENYQSNW-UHFFFAOYSA-N 370.375 2.519 0 50 FFAA COc1ccc(F)c(C(=O)N2CCC(N3CCCCC3)CC2)c1OC 472130718 QXWBUAHPDNVBAQ-UHFFFAOYSA-N 350.434 2.933 0 50 FFAA Clc1cnn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1 2800282 DYKIKFFBKPMRKA-UHFFFAOYSA-N 364.800 2.556 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F 4124134 AXDMNWBMNALWAC-CQSZACIVSA-N 368.714 2.834 0 50 FFAA CC(C)COc1ccccc1CN(C)Cc1nnc([C@H]2C[C@H](N)C2)n1C 219903898 MVNVQWBPEBUTOG-CALCHBBNSA-N 357.502 2.687 0 50 FFAA Cc1c(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cnc2ccnn12 72409293 AJWGZHJFCMGWFE-INIZCTEOSA-N 355.486 2.955 0 50 FFAA COC(=O)c1cccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1O 436802927 HANWWCOLCFMCFL-ZDUSSCGKSA-N 368.389 2.709 0 50 FFAA Cc1csc(NC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)n1 330996309 ILKQYFNEDBEKNE-UHFFFAOYSA-N 373.450 2.995 0 50 FFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(OC)c2OC)N1 35623189 CTXHTRWRNKBGGX-FUHWJXTLSA-N 366.417 2.962 0 50 FFAA biogenic,in-vitro CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C(C)=O)cc2)CC1 77343691 LNRAFNKTOVZPQG-UHFFFAOYSA-N 369.513 2.942 0 50 FFAA Cc1nc([C@@H](NCc2cccnc2C)c2ccc3c(c2)OCCO3)no1 369488762 YCNBZBJTEBAZSF-SFHVURJKSA-N 352.394 2.732 0 50 FFAA Cn1ccnc1[C@@H](NCc1cc2ccccc2nc1O)C1CCOCC1 284763384 OYXAYMXYWYIPJA-SFHVURJKSA-N 352.438 2.931 0 50 FFAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1cnc(C3CC3)nc1N)CC2 377000631 FTTHLTBIYFUUNZ-LBPRGKRZSA-N 352.438 2.747 0 50 FFAA Cc1ccccc1O[C@H](C(=O)N1CCC2(CC1)CN(C)C(=O)O2)C(C)C 77459513 XRQZKMMTPARNHH-KRWDZBQOSA-N 360.454 2.842 0 50 FFAA c1ccc2c(c1)OC[C@@H](c1nn3c(CN4CCCCC4)nnc3s1)O2 39389273 PBJVENGSORBTPR-AWEZNQCLSA-N 357.439 2.684 0 50 FFAA Cc1c(-c2cc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)no2)cnn1C 215935325 DRUPGNROIQLXHW-SFHVURJKSA-N 370.384 2.736 0 50 FFAA O[C@H]1CCCN(CCCNc2cc(-c3ccccc3)nc3ccnn23)C1 72421860 UEDVDQSUSGJQBB-KRWDZBQOSA-N 351.454 2.655 0 50 FFAA Cc1ccccc1-n1cc(CN(C)Cc2cc3n(n2)CCCNC3)cn1 72168085 QZLXCGJSXFKZPU-UHFFFAOYSA-N 350.470 2.503 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)O1 246646238 CTUJJJUMRCXQGK-IIAWOOMASA-N 353.484 2.957 0 50 FFAA Cc1nsc(N2CCCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)n1 246677366 GZBWUNQUDQPJKQ-OAHLLOKOSA-N 352.891 2.746 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c2cnn(C(C)C)c2n1 263302443 ZVHCSVCISFJNSY-HNNXBMFYSA-N 356.426 2.648 0 50 FFAA Cc1nc(O)ccc1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286180440 JENALWMFDCJRHB-ZIAGYGMSSA-N 358.398 2.698 0 50 FFAA CS(=O)(=O)c1ccc(CN2CC[C@@H](c3ccccc3C(=O)O)C2)cc1 72163446 BNBPOGXQZKRCJX-OAHLLOKOSA-N 359.447 2.778 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)c2cccs2)CC1 77321238 SOAAAKMVGJCCTR-UHFFFAOYSA-N 373.526 2.882 0 50 FFAA O=S(=O)(c1cccs1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 82145722 SNPUURUXAUUYJC-GFCCVEGCSA-N 362.436 2.719 0 50 FFAA CNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(CCc3ccccn3)cc2)C1 426526820 FGEWMWJGFWBOOO-KRWDZBQOSA-N 366.465 2.857 0 50 FFAA CN1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82121421 GZSAJUPZMRCOGR-HXUWFJFHSA-N 373.545 2.522 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)NCCSc2nccn2C)c(C)s1 426667510 PRJPWZLVAIMFBE-JTQLQIEISA-N 353.517 2.988 0 50 FFAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cnc([C@H]2CCCO2)s1 179057552 GTMKHFJQVWLTOQ-GFCCVEGCSA-N 364.448 2.577 0 50 FFAA Cc1cc(C)n(CCNC(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)c(=O)n1 426737330 CZZIJUQRLOBZBI-UHFFFAOYSA-N 368.441 2.682 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCCN(Cc2ccco2)C1 95355530 RDUPXSQXIFAYKN-GOSISDBHSA-N 364.449 2.994 0 50 FFAA COc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)o1 91603072 LRTPLGNNPPUYKG-UHFFFAOYSA-N 366.421 2.948 0 50 FFAA Cc1ccccc1-c1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)cc1 91663240 XLGOBRUBDPDHMZ-WOJBJXKFSA-N 352.478 2.904 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H](c3ccc(F)cc3)N(C)C)CC2)n1 95359254 ZRSKMIDKHYTQAD-GOSISDBHSA-N 358.461 2.838 0 50 FFAA CN(CC(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 91604505 NBMIULOJUJIMGH-UHFFFAOYSA-N 367.497 2.847 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 239309558 HRVUUKZCSCDEOB-CWLKWCNXSA-N 374.868 2.507 0 50 FFAA O=C(CCc1ccc(F)cc1F)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91474035 MGMPMRHMVBCCFW-DOTOQJQBSA-N 362.420 2.757 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)on1 91526573 JWHLSMDAVVASJI-UHFFFAOYSA-N 353.466 2.798 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N[C@H]1COC[C@H]1Cc1cc(C)no1)n2C 97602538 COFYVDMKJZKKST-WBVHZDCISA-N 353.422 2.771 0 50 FFAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 95519449 KOXHOBXRAYATAK-CQSZACIVSA-N 368.462 2.603 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 95501875 KVFLGJMHRMNOHC-MRXNPFEDSA-N 358.404 2.975 0 50 FFAA c1ccc(CN2CCC(N3CCN(Cc4ccccn4)CC3)CC2)cc1 96402915 PYZJKEUEIGGIEL-UHFFFAOYSA-N 350.510 2.864 0 50 FFAA CCc1noc(C)c1C(=O)N(CCCn1ccnc1)Cc1cccnc1 97413269 FAZRALUTDSJDIP-UHFFFAOYSA-N 353.426 2.870 0 50 FFAA COCCN(Cc1ccc(OC)cc1)C(=O)c1cc(C(F)(F)F)n[nH]1 97307520 UVQIQMRDOBJUSV-UHFFFAOYSA-N 357.332 2.726 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cnoc2-c2ccccc2)on1 96137865 STAHTOHKJICRJI-PBHICJAKSA-N 353.378 2.626 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C)C3)no1 95366724 FJHKGWFULIFLEV-KRWDZBQOSA-N 367.449 2.851 0 50 FFAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239402767 RCRAITACSFJJLA-HENZOVJNSA-N 370.836 2.720 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccc(-n3cccn3)cc2)c2cc(F)ccc2N1 91876822 YODJJOWKGJYYPT-QGZVFWFLSA-N 364.380 2.754 0 50 FFAA Cc1nc(CN2CCN([C@H](C(=O)O)c3cccc(C)c3F)CC2)cs1 95520465 AJQKBTCHSONLFL-KRWDZBQOSA-N 363.458 2.843 0 50 FFAA Cn1cc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H]2C[C@@H](O)C2)cn1 243885831 ACSHTFSGGLXDNS-BYCMXARLSA-N 353.344 2.681 0 50 FFAA CCc1ccc(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccccc32)cc1 184159006 MMGNNLMAXPREBG-GOSISDBHSA-N 359.447 2.758 0 50 FFAA CCCn1cnnc1[C@H](C)NC(=O)N(C)Cc1nc2cccc(C)c2[nH]1 534669726 PJTCRCSNPXKORW-ZDUSSCGKSA-N 355.446 2.775 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@]2(CC1)CN(C)C(=O)O2 72135454 VNALEWGAVODQGU-IBGZPJMESA-N 362.474 2.548 0 50 FFAA O=C(Nc1ccc2c(c1)COC2)N1CCCC[C@H]1CCN1CCOCC1 299798616 RKDFHPFCZOWNOO-IBGZPJMESA-N 359.470 2.826 0 50 FFAA CN(CC(=O)NC[C@H]1CCN(c2cccc(Cl)c2)C1)Cc1cccnc1 299755234 BVXAOKDZWLJCMO-QGZVFWFLSA-N 372.900 2.810 0 50 FFAA COc1ccc(NC(=O)c2ccc3nc(C)[nH]c3c2)cc1C(=O)N(C)C 824704461 UUVAKWCTADVFGM-UHFFFAOYSA-N 352.394 2.834 0 50 FFAA O=S(=O)([C@H]1C[C@@H]1c1cccc(F)c1)N1CC(F)(c2cccnc2)C1 1875404723 RNKJGBWHPFSHDL-CVEARBPZSA-N 350.390 2.587 0 50 FFAA O=C(O)CC[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)Cc1ccccc1 1875270944 QHPDRMBKBYIUSY-MOPGFXCFSA-N 355.434 2.572 0 50 FFAA O=C(Cc1ccc(NC(=O)c2ccc(CN3CCCC3)o2)cc1)NC1CC1 952986128 JUMNSQRWKIHVNN-UHFFFAOYSA-N 367.449 2.949 0 50 FFAA COc1nc2c(cc1C(=O)Nc1ccc3nc([C@@H](C)O)[nH]c3c1)CCC2 952988996 RFSORFAGPCLDJZ-SNVBAGLBSA-N 352.394 2.761 0 50 FFAA CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3cc4ccccc4s3)C2=O)nn1 886068745 NLMCVIAEFVJUQN-HNNXBMFYSA-N 369.450 2.737 0 50 FFAA Cn1c([C@H]2CCCN2C[C@@H](O)COc2ccccc2)nc2c1CCCC2 275586820 GBDKDZIDSKZRTM-OXQOHEQNSA-N 355.482 2.876 0 50 FFAA C[S@@](=O)C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1 170649105 KWDZMZFXSKQPSO-JBEBIEQOSA-N 360.460 2.966 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1C[C@@]12CCCc1ccccc12 170644194 AYCIHESYUKHPHY-DNVCBOLYSA-N 354.479 2.812 0 50 FFAA CN(C)c1ccc(N2CCC(NC(=O)[C@@H]3CC34CCOCC4)CC2)cc1 170652213 WMSHXIRUHUNWMV-IBGZPJMESA-N 357.498 2.654 0 50 FFAA O=C(NC1CCN(CC2CC2)CC1)N1CCO[C@@H](c2cccc(F)c2)C1 171314133 WQHQGNVHJHHDOV-LJQANCHMSA-N 361.461 2.783 0 50 FFAA CC(C)(C)n1cc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nn1 191011208 KYYCKLUPCSEWMK-UHFFFAOYSA-N 373.432 2.663 0 50 FFAA O=C(c1ccoc1Cl)N1CCCN(Cc2noc(C3CC3)n2)CC1 192393387 PVNSHCOJEYQQMS-UHFFFAOYSA-N 350.806 2.542 0 50 FFAA Cc1ccc(N2CCC(C(=O)NCc3cccc4c3OCO4)CC2)nc1 194192464 XBKDRWQKTGINGQ-UHFFFAOYSA-N 353.422 2.652 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C[C@H]3CCCNC3)CC1)OCC2 1704297055 DYCZUABJUBNFEO-INIZCTEOSA-N 360.498 2.567 0 50 FFAA CCn1cc(CN(Cc2ccncc2)CC2CCN(CCOC)CC2)cn1 11821162 IORMIMXJSUWRJJ-UHFFFAOYSA-N 371.529 2.659 0 50 FFAA Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(CC(C)C)CC2 11974988 AHQJWAJOTBTSOE-INIZCTEOSA-N 355.486 2.592 0 50 FFAA COc1cccc(OCc2cc(C(=O)NCc3cccc(C)n3)n[nH]2)c1 12445105 IMQOCVPNBDYNPS-UHFFFAOYSA-N 352.394 2.631 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)N2CCCC2)C1 12705742 JIFSYQSGTMXWGX-OAHLLOKOSA-N 352.910 2.997 0 50 FFAA CCc1ccc(CN2CCC(CCC(=O)N3CCN(CC)CC3)CC2)o1 14961727 FKGXWAZMYYJCRV-UHFFFAOYSA-N 361.530 2.998 0 50 FFAA O=C(NCC[C@H]1CCCCO1)c1cc(CN2CCc3ccccc3C2)on1 15080363 AENUHZHWIXRDOP-GOSISDBHSA-N 369.465 2.922 0 50 FFAA O=C(N[C@@]1(C(=O)O)CC[C@@H](O)C1)OCC1c2ccccc2-c2ccccc21 15446456 FPTJRPYTKCYJLR-ASSNKEHSSA-N 367.401 2.893 0 50 FFAA c1ccc2sc(N3CCCN(CCCCN4CCOCC4)CC3)nc2c1 19812569 CHHFMRHCWSBCJG-UHFFFAOYSA-N 374.554 2.921 0 50 FFAA Cc1ccc2cc(CN3C[C@H](C(=O)O)C4(CCOCC4)C3)c(O)nc2c1 1857704862 IPEWICCNSXOUQT-MRXNPFEDSA-N 356.422 2.562 0 50 FFAA CC1(C)Cc2c(Br)cccc2[C@@H]1NC(=O)[C@H]1CCC(=O)NC1 332260618 DNKXDGNSLACYHN-BONVTDFDSA-N 365.271 2.715 0 50 FFAA O=C(O)c1cccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 238213767 DUPGNGLRVYFVHI-UHFFFAOYSA-N 357.381 2.889 0 50 FFAA Cc1cc2ncc(C(=O)N[C@@H](C(=O)O)c3cccc(C)c3C)c(C)n2n1 263148757 URDLAGVMLDEFCG-QGZVFWFLSA-N 352.394 2.519 0 50 FFAA CC1(C)C(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)C1(C)C 1704329307 PWBRXWOZBZPVEH-YCRPNKLZSA-N 359.466 2.576 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 786206 IFHLPZKBMAVSJS-UHFFFAOYSA-N 364.442 2.654 0 50 FFAA Cn1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)c2ccccc21 2325774958 KRGAYCPFSCFSOW-UHFFFAOYSA-N 364.449 2.720 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)NCCCN2CCCO[C@H](C)C2)C3)cc1 2325776123 PGPLTDSPTWAYJT-KAGYGMCKSA-N 371.525 2.779 0 50 FFAA COCC1(CC(=O)N2[C@H]3CC[C@H]2CC(NC(=O)C2(C(C)C)CC2)C3)CC1 2325793494 WVWJGBRQYPZYSC-IRXDYDNUSA-N 362.514 2.878 0 50 FFAA N[C@@H]1CCC12CCN(Cc1ccccc1I)CC2 2325797651 KSTYDMVIYGHIBS-CQSZACIVSA-N 356.251 2.995 0 50 FFAA Brc1cc(N2CCO[C@@H](COc3ccccc3)C2)ncn1 2325802341 AZENNZDSSBUCJD-CYBMUJFWSA-N 350.216 2.523 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1)c1[nH]nc2ncccc12 2325865632 KAVQQJXFHZMPTN-LLVKDONJSA-N 364.283 2.532 0 50 FFAA Cc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1C 878992 VMUWMTLWRIYIKP-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCOC(=O)CN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 1112200 ZQPDAYBHJFLNNM-NRFANRHFSA-N 364.401 2.622 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc(-n3ccnc3)cc2)C1=O 2356136136 HXUQYEJXANVGJQ-NRFANRHFSA-N 366.465 2.878 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@H]32)c1 4196996 DWUXOADNYZZIEE-MSOLQXFVSA-N 356.447 2.916 0 50 FFAA CC(=O)O[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 4536000 NHSSJNVMAAOQIR-LJQANCHMSA-N 356.397 2.779 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101238012 CYSHXVTZOQJHRF-ZQIUZPCESA-N 354.903 2.835 0 50 FFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](C)Cc1c(C)nn(C)c1C 172693825 HEWMGXWUKYOPOZ-CYBMUJFWSA-N 357.454 2.993 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)c1 20455473 KYALGLZKIQIZRY-LJQANCHMSA-N 366.461 2.591 0 50 FFAA CNS(=O)(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1OC 65374287 LLVPVNWBHMJFBV-UHFFFAOYSA-N 371.462 2.775 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1CCO 104330450 SPWCWRDODUGSRS-LJQANCHMSA-N 374.504 2.926 0 50 FFAA Cc1ccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(=O)[nH]1 65459423 IIPWJIQKZIIUMR-AZUAARDMSA-N 362.429 2.827 0 50 FFAA COc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc(Cl)c1O 20166650 MHNYQICKFBIETD-INIZCTEOSA-N 368.905 2.865 0 50 FFAA CN1CCCn2nc(C(=O)N(C)Cc3cc(-c4ccccc4)on3)cc2C1 65509370 YHTHISADNKYPDG-UHFFFAOYSA-N 365.437 2.646 0 50 FFAA COc1c[nH]c(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1=O 67757348 JOJDBZUDWWZHHT-UHFFFAOYSA-N 373.359 2.875 0 50 FFAA Cn1c(-c2cc3n(n2)CCN(C(=O)Nc2cccnc2)C3)nc2ccccc21 65407771 BDMIIRPVFKFDGI-UHFFFAOYSA-N 373.420 2.880 0 50 FFAA C[C@H](C(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1)n1cncn1 67847840 LYEBIAMUWNWOSC-OAHLLOKOSA-N 364.453 2.559 0 50 FFAA CCOC(=O)N1CCC(N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 82083875 KKPFXCREGRUOCE-UHFFFAOYSA-N 372.469 2.506 0 50 FFAA C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 252477568 QVNVIEVGZLAFPE-IKGGRYGDSA-N 359.470 2.550 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cnn2c1 67975040 FFEMYYYYBQYYEF-PKOBYXMFSA-N 363.465 2.857 0 50 FFAA CC(C)c1noc(C2CCN(C[C@]3(O)CCCN4CCCC[C@@H]43)CC2)n1 63872545 IDOXSMYAIMDYEQ-YLJYHZDGSA-N 362.518 2.752 0 50 FFAA CCCCN(C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 253419265 LMKDXBGNEUCUMK-FXAWDEMLSA-N 359.514 2.977 0 50 FFAA CC(=O)NCc1ccc(NS(=O)(=O)c2c(C)ccc3cccnc23)cc1 477223482 RHBBNLFJUUSMBF-UHFFFAOYSA-N 369.446 2.980 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)n2ncnc2N1 4987110 HDKFQDVRTCNQPJ-MLGOLLRUSA-N 374.828 2.943 0 50 FFAA COc1ccc2[nH]cc(C(=O)N[C@H](C)c3nnc(C(C)C)o3)c(=O)c2c1 216154911 WEIYZGSVUYLMGB-SNVBAGLBSA-N 356.382 2.534 0 50 FFAA CCn1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 123502637 KAUCDYGCBFUBLB-HUUCEWRRSA-N 353.344 2.870 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@@H]1Cc1ccc(F)cc1 363296828 ZHKAAFGLIQTQNE-GOSISDBHSA-N 351.385 2.649 0 50 FFAA O[C@H](COc1ccccc1-c1nnco1)CN1CCc2ccccc2C1 154460634 FDBAZBSSEUVLEX-KRWDZBQOSA-N 351.406 2.535 0 50 FFAA CC(C)(C)c1cc(NC(=O)CN2CSCC2=O)nc(C(C)(C)C)n1 154609708 LAJPJWXCYOKVFQ-UHFFFAOYSA-N 350.488 2.543 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O 72476255 PBNBFDJKFZVZSV-CYBMUJFWSA-N 360.458 2.514 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cc(C3CC3)no2)n1C 369610337 ABOVSLGMDKJFSY-OAHLLOKOSA-N 356.426 2.618 0 50 FFAA COCCCN1C[C@]2(CCCN(c3cc(C4CC4)ncn3)C2)CCC1=O 72424177 UJOREKMJZIYQNI-HXUWFJFHSA-N 358.486 2.600 0 50 FFAA CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 378390914 VXKUQYJFMPSGGD-VQTJNVASSA-N 356.441 2.982 0 50 FFAA COc1cccc2c1OCC(CN1CCOc3ccc(CO)cc3C1)=C2 215025015 KSQIARQANAUNAD-UHFFFAOYSA-N 353.418 2.858 0 50 FFAA C/C=C(\CC)C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 372758054 PQHVCTNKXLMILB-QLKAYGNNSA-N 372.450 2.523 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](OC)CC1 378632004 JBTATLSZAZJXRF-WMZOPIPTSA-N 374.481 2.717 0 50 FFAA CC(C)c1cc(N2CCC([C@H](O)c3nccn3C)CC2)n2nccc2n1 72157267 IJUDKPFHKHBOBQ-SFHVURJKSA-N 354.458 2.536 0 50 FFAA C[C@H](Sc1nnc(Cn2cncn2)o1)C(=O)c1c[nH]c2ccccc12 126091722 DIPPJJYGAPFCDS-JTQLQIEISA-N 354.395 2.554 0 50 FFAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 378272696 YMCMMOVNXJSUCU-RTBURBONSA-N 367.497 2.756 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)cc1 245504563 KMPOJNKQZCYKPA-AGGWBTHJSA-N 360.483 2.614 0 50 FFAA Cc1cnccc1NCCNc1nc(-c2cccnc2)nc2c1cnn2C 72149792 NORPXSLNJVAVFY-UHFFFAOYSA-N 360.425 2.653 0 50 FFAA CC(C)n1cc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)cn1 82086787 RMRDVKBOWVDBNS-UHFFFAOYSA-N 373.482 2.802 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222584267 AYKRVQNWTWQAOK-LAGYLCCXSA-N 364.449 2.827 0 50 FFAA COc1cccc(-c2nsc(NC(=O)N3CC[C@@H](n4cccn4)C3)n2)c1 291598588 ZKVYPWIDUANMEG-CYBMUJFWSA-N 370.438 2.889 0 50 FFAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cnc([C@@H]2CCCO2)s1 179057538 GTMKHFJQVWLTOQ-LBPRGKRZSA-N 364.448 2.577 0 50 FFAA Cc1cc(CN2CCN(C(=O)Nc3ccc(C(F)(F)F)nc3)CC2)no1 179363244 YRVWIBOUCHWBHU-UHFFFAOYSA-N 369.347 2.747 0 50 FFAA Oc1cccc(CN2CCC(N[C@H]3CCOC4(CCOCC4)C3)CC2)c1 82092356 GALLYXRKRVVJJF-IBGZPJMESA-N 360.498 2.674 0 50 FFAA Cc1ccc(N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2=O)cc1 82157514 ZVMKUWOBVWSTAR-UHFFFAOYSA-N 358.825 2.772 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1nc2ccccc2[nH]1 223033123 CNFRYLGMLRQZBZ-MSOLQXFVSA-N 357.454 2.752 0 50 FFAA Nc1nc(CCNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cs1 426493212 PNCIOWKSYLBMFF-AWEZNQCLSA-N 366.874 2.704 0 50 FFAA CN1CCC(CNC(=O)N(Cc2ccco2)Cc2ccco2)(N(C)C)CC1 426730571 WYJOPQCQTYNAMR-UHFFFAOYSA-N 374.485 2.610 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@H]2N(C)C)cc1 95529446 CGDDPNHIXNRAHK-DLBZAZTESA-N 359.857 2.507 0 50 FFAA COCC[C@@]1(CO)CCCN(Cc2cc(Cl)c(OC)cc2OC)C1 91390918 GCWLMSUMNNVUIB-SFHVURJKSA-N 357.878 2.968 0 50 FFAA Cn1ccnc1C1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 91440506 VZEYDYSEKZDWKP-UHFFFAOYSA-N 362.437 2.974 0 50 FFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 92062167 OCSMLIINLOUSJM-NRFANRHFSA-N 372.465 2.917 0 50 FFAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2)C1 91644752 VXWHIUPETHZMDK-QGZVFWFLSA-N 356.466 2.595 0 50 FFAA Cc1noc(C)c1COc1ccc(CC(=O)N2CCCC[C@H]2C(=O)O)cc1 181499080 ZVDUNQPSUOUPEG-SFHVURJKSA-N 372.421 2.879 0 50 FFAA Cc1cc2c(cc1C(=O)N1CCC[C@@H](OCc3cccnc3)C1)OCCO2 95368930 NMBXHCPDBMVZLR-QGZVFWFLSA-N 368.433 2.983 0 50 FFAA O=C(CN1CC2(CCCC2)CC1=O)N1CCC[C@H](OCc2ccccc2)C1 95520035 HPNKMBPZMSRHFQ-IBGZPJMESA-N 370.493 2.987 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H](c1cccc(C)c1)N(C)C)OCCO2 95357881 HVGKWMWZQUNKKS-HXUWFJFHSA-N 370.449 2.694 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)Nc3cccc4cn[nH]c34)CC2)nc1 95519027 AIMRKPYYJAJYFZ-UHFFFAOYSA-N 351.410 2.782 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1nnc(-c3ccccc3)o1)CO2 91943144 JTSDWPDPRUOUEE-OAHLLOKOSA-N 365.389 2.613 0 50 FFAA CC(=O)N1CCC[C@H](Cn2cc(-c3ccc(-c4cc[nH]n4)s3)nn2)C1 91327044 UCZBHPDRJCUAFQ-ZDUSSCGKSA-N 356.455 2.655 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(C)C)[nH]c2=O)C[C@H]1C(=O)O 91390793 XPEULYGPNSEHSU-DLBZAZTESA-N 368.433 2.747 0 50 FFAA CCc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)on1 91848296 XEBIBWSUNWXANA-INIZCTEOSA-N 365.437 2.897 0 50 FFAA CC(=O)N1CCc2[nH]cnc2C12CCN(C/C=C/c1ccccc1)CC2 91445107 WWHNFIOWKPHOMD-VMPITWQZSA-N 350.466 2.819 0 50 FFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 244594279 DJWJRJJLRFAWCV-YQQAZPJKSA-N 374.510 2.645 0 50 FFAA Fc1ccc2[nH]c(C3CCN(Cc4nc5ncccn5n4)CC3)nc2c1 252495849 PCUILTGHRJOVOW-UHFFFAOYSA-N 351.389 2.519 0 50 FFAA O=c1c(=Cc2ccco2)sc2nc(-c3ccc(Br)cc3)nn12 252679761 QPISBJSDJNISJO-UHFFFAOYSA-N 374.219 2.721 0 50 FFAA CCCc1ccc(-c2ccc(C(=O)NCc3noc(C(N)=O)n3)cc2)cc1 252495664 OVFVKCYMFAWATN-UHFFFAOYSA-N 364.405 2.718 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@H](NCCc2ccccc2)CNC3=O)c1 263615277 BOFVDQFIZQVVPV-FQEVSTJZSA-N 362.433 2.633 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)CN1CC(C)C 32520262 HKUVJVMONJKPSH-CVEARBPZSA-N 357.420 2.640 0 50 FFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 102003178 GUEZMMUCPGOLSC-GJZGRUSLSA-N 351.431 2.867 0 50 FFAA CCN(Cc1ccncc1)C(=O)c1cccc(-c2nc(OC)n(C)n2)c1 299803081 WCRPHNMBQTZRML-UHFFFAOYSA-N 351.410 2.548 0 50 FFAA CCc1cccc(C)c1NC(=O)CCN1CCC[C@]2(C1)CN(C)C(=O)O2 299783360 ZSLIDBGFHUTFNY-HXUWFJFHSA-N 359.470 2.803 0 50 FFAA CC[C@@H](NC(=O)c1cnc(N(C)C)nc1C)c1nc2cc(C)ccc2[nH]1 299758839 QPELYYDXAZJROJ-CQSZACIVSA-N 352.442 2.917 0 50 FFAA Cc1cc(NC(=O)N[C@@H]2CCCN(c3cnccn3)C2)n(CCC(C)C)n1 299787120 VHVCTJRDTWKUQP-MRXNPFEDSA-N 371.489 2.818 0 50 FFAA O=C([C@@H](O)c1cccc(F)c1)N1CCCN(C2Cc3ccccc3C2)CC1 299792637 GLHMXOASHCPHOM-NRFANRHFSA-N 368.452 2.561 0 50 FFAA CC(C)OCCCNC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 299803067 VYESQSQSKMQLKI-CYBMUJFWSA-N 359.392 2.858 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 299754420 LIBLOKVUZGFOSR-BJLQDIEVSA-N 369.509 2.762 0 50 FFAA biogenic O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCCC2)o1 828166498 QAFZBEKFRIBWAZ-UHFFFAOYSA-N 367.449 2.932 0 50 FFAA O=C(Cc1n[nH]c2ccccc12)N[C@H]1CCCN(Cc2cccs2)C1 670440770 CHVSXGSEPPKGKN-AWEZNQCLSA-N 354.479 2.948 0 50 FFAA C[C@@H]1CN(C(=O)c2cc3ccc(Cl)c(F)c3[nH]2)C[C@@]2(CCOC2)O1 1875274294 FOQMRCGASAZCKH-BMLIUANNSA-N 352.793 2.980 0 50 FFAA CC(C)(COc1ccc(C(F)(F)F)cn1)Nc1ccnc2ncnn12 1875286886 LDSPGTDSNXPIIM-UHFFFAOYSA-N 352.320 2.808 0 50 FFAA NC[C@@H](NC(=O)[C@H]1CC(C2CCOCC2)=NO1)c1ccc2ccccc2c1 1875372690 KVJQCGRRZVKCMO-WOJBJXKFSA-N 367.449 2.527 0 50 FFAA CC[C@]1(C(=O)N2CC[C@](C)(NC(=O)c3scnc3C)C2)CC1(F)F 1875406526 GOVVDIMRRIPKOG-LSDHHAIUSA-N 357.426 2.608 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@]3(CCC(=O)N(C)C3)C2)cc1 952988737 OYTSCUAZABXJAZ-OAQYLSRUSA-N 368.481 2.715 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)CCn1c(C)cccc1=O 952979257 UCSJRMNZYOLNRV-GOSISDBHSA-N 356.470 2.523 0 50 FFAA COc1ccccc1Cc1nc(C2CCNCC2)n(CC(F)(F)F)n1 952860240 IXLIOMBKPGARNK-UHFFFAOYSA-N 354.376 2.907 0 50 FFAA COc1cc(NC(=O)c2ccc([C@H]3CCCO3)s2)cc(-n2cnnn2)c1 952968990 QZQDNSWSASPIAW-CQSZACIVSA-N 371.422 2.836 0 50 FFAA C[C@H](C(=O)Nc1ccccc1NC(=O)CN(C)C)n1cnc2ccccc21 952860020 YKMBMCXMWADGMM-CQSZACIVSA-N 365.437 2.736 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)CS1(=O)=O 888101655 MIZHDWZYROCLND-TUVASFSCSA-N 368.474 2.727 0 50 FFAA COc1cc(Br)ccc1-c1noc([C@H]2OCC[C@H]2CN)n1 888078520 YYGSTTGFIXXAQJ-UFBFGSQYSA-N 354.204 2.544 0 50 FFAA Cc1noc(C[C@@]2(O)CCCN(C(=O)c3cc4cccc(C)c4o3)C2)n1 886096704 OWPXUWXTXBKJDP-IBGZPJMESA-N 355.394 2.642 0 50 FFAA Cc1cccc2cc(C(=O)N[C@H]3CCN(Cc4cccnc4)C[C@@H]3O)oc12 1565526899 BFDBERAHFLPLDO-ROUUACIJSA-N 365.433 2.501 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 278467828 SVRBDYIZFHZBKL-GFCCVEGCSA-N 355.364 2.648 0 50 FFAA COC(=O)[C@@H](NCc1nc(-c2ccco2)oc1C)c1ccc(OC)c(O)c1 170598091 CWZNVXWHKHFBGH-KRWDZBQOSA-N 372.377 2.961 0 50 FFAA CN(C)C(=O)[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1 222007076 HZLVNEYSWYPEEP-HOMDXJCOSA-N 357.450 2.690 0 50 FFAA Cc1ccn(C)c1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 170603266 NNFTTZHRAMBFEF-UHFFFAOYSA-N 368.525 2.661 0 50 FFAA C[C@H]1C(=O)NCCCN1C(=O)c1cc(-c2cccnc2)nc2ccccc12 189235873 RDJJVVHTQUHHHS-AWEZNQCLSA-N 360.417 2.647 0 50 FFAA O=C1NCCN(C(=O)c2cccs2)[C@H]1c1ccc(OC(F)(F)F)cc1 190618626 YKIUTDHXSLPNOR-ZDUSSCGKSA-N 370.352 2.960 0 50 FFAA Cc1cccn2c(=O)cc(CS(=O)(=O)[C@H]3CCCc4ccccc43)nc12 194370537 DOXFAHQXBMUTBJ-SFHVURJKSA-N 368.458 2.995 0 50 FFAA COc1cc2nc(N3CCC4(CC3)CN(C)CCO4)cc(C)c2cc1OC 1772804019 CVIVLOFELYSWRW-UHFFFAOYSA-N 371.481 2.861 0 50 FFAA Cc1nc(C)c(C(=O)N2CCCN(c3ncnc4ccccc34)CC2)o1 1772812494 KJASDSMFOIPKPY-UHFFFAOYSA-N 351.410 2.587 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 11782408 ADYXZUSATSCJTG-OXQOHEQNSA-N 362.470 2.669 0 50 FFAA NC(=O)CCC(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 11816086 GSGCLLJDHCJCTJ-IBGZPJMESA-N 366.461 2.702 0 50 FFAA O=C(CS[C@@H]1CCc2ccccc2NC1=O)NC[C@H](O)c1ccccc1 12406721 VCQCHTGPZIDAIP-ZWKOTPCHSA-N 370.474 2.523 0 50 FFAA CC(C)NC(=O)C1CCN(C2CCN([C@H](C)Cc3cccnc3)CC2)CC1 12431870 OANWVUPRCDFWDH-GOSISDBHSA-N 372.557 2.714 0 50 FFAA Cc1ccc2occ(CN3CC[C@@H](N4CCCCCC4)[C@H](O)C3)c(=O)c2c1 12713553 JDBWVARFVWGASY-WOJBJXKFSA-N 370.493 2.913 0 50 FFAA Cc1ccc(Cl)cc1-n1ccc2nc(N3CCOCC3)ncc2c1=O 19958769 IQLAYWQPRNPFTP-UHFFFAOYSA-N 356.813 2.579 0 50 FFAA Cc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCCC2)n1 169749786 SCGXCOAOSSGKKI-UHFFFAOYSA-N 355.467 2.672 0 50 FFAA Fc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 169758256 LCSBEWGFWHZXAA-OAHLLOKOSA-N 364.340 2.801 0 50 FFAA O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 169772836 NUOPKMCGKXGGAZ-SNVBAGLBSA-N 356.332 2.833 0 50 FFAA O=C(CCCOc1ccccc1)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 220552300 OLOBXJDPQGOYEL-HQRMLTQVSA-N 354.450 2.739 0 50 FFAA CC1(C(=O)N2CC[C@@]3(C2)Cn2c(nnc2-c2ccccc2Cl)CO3)CC1 1857685218 QUDFOXWYVOEFII-LJQANCHMSA-N 372.856 2.900 0 50 FFAA CCc1nc(C)sc1C(=O)N1C[C@H](c2cccc(OC)c2)[C@@H](C(=O)O)C1 225382380 KQHIQZUCFJNMES-CABCVRRESA-N 374.462 2.963 0 50 FFAA O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@@H]1CCn2ccnc2C1 328621236 HPIPIAVVOQLAKO-GFCCVEGCSA-N 373.400 2.584 0 50 FFAA Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)nn1-c1ccccc1 332662037 NCXAKUXDHIERAS-MRXNPFEDSA-N 368.481 3.404 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2nccc(-c3cnn(C)c3)n2)c(Cl)c1 373373338 PKBSBLBSHKDOID-UHFFFAOYSA-N 363.830 2.640 0 50 FFAA O=C(O)C1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 263483641 OQYBUPSLEMWSIR-AVVWSFFYSA-N 350.390 2.552 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@@H](O)c1ccc(F)cc1 161883176 WPIFVLBBWQVEPI-FZKQIMNGSA-N 374.412 2.509 0 50 FFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(C(F)(F)F)n1 823745497 KXROZNBAEYDONK-CQSZACIVSA-N 366.339 2.543 0 50 FFAA Cn1cc(CNC(=O)C(F)(F)Cc2ccccc2)c(Br)n1 927623441 PGLUMZACTXBKOH-UHFFFAOYSA-N 358.186 2.677 0 50 FFAA O=C(CCn1cnnn1)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 4722166 WOOUPVHWNNYXAI-UHFFFAOYSA-N 358.471 2.626 0 50 FFAA COc1cc(OC)c(C(=O)Nc2ccnn2Cc2cccnc2)cc1OC 2100473169 CKJXNTNARNMKQK-UHFFFAOYSA-N 368.393 2.605 0 50 FFAA Cc1sc(NC(=O)[C@@H]2COC(=O)N2)nc1C12CC3CC(CC(C3)C1)C2 2100534719 VQUVBPSLQABBRB-FIVXQRBNSA-N 361.467 2.966 0 50 FFAA Oc1nc2ccccc2n1CCCN1CC[C@](O)(Cc2cccc(F)c2)C1 2325709333 OYUZVASWISGQGG-NRFANRHFSA-N 369.440 2.951 0 50 FFAA C[C@H](C(=O)Nc1cc(Br)ccc1N(C)C)N1CCCCC1=O 2325728423 RVULFIOREIZUNU-LLVKDONJSA-N 368.275 2.855 0 50 FFAA O=C(N=c1ccn(-c2ccc(Cl)cc2)[nH]1)c1ncoc1[C@H]1CCCNC1 2325801125 XCIAKOMOKBSDBC-LBPRGKRZSA-N 371.828 2.655 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(C[C@@H](O)COc2cccc(C(=O)O)c2)C3)cc1 2325803019 JGEWJLQOQWMEAN-WOIUINJBSA-N 367.445 2.706 0 50 FFAA CCc1ccc(CCNS(=O)(=O)Cc2ncoc2C(F)(F)F)cc1 2325803335 BAZMLETXUSRLPG-UHFFFAOYSA-N 362.373 2.918 0 50 FFAA Cc1c(CN)c(=NC(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)[nH]n1C 2325856489 RKAAFGGQLZOMTP-UHFFFAOYSA-N 352.225 2.650 0 50 FFAA Cc1ccc(N2C(=O)N(c3ccccc3C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1019204 VABIQKPCCCDSJK-ROUUACIJSA-N 356.447 2.916 0 50 FFAA COC(=O)c1cc(C)sc1NC(=S)NCCCn1cc(C)cn1 2852707 UWQYPGLZRPXMCF-UHFFFAOYSA-N 352.485 2.725 0 50 FFAA Cc1cc(-c2n[nH]c(=NC(=O)c3ccc(CN4CCCC4)o3)o2)cs1 2356164635 ATSUUFMNLMRARU-UHFFFAOYSA-N 358.423 2.970 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2nccs2)c1 4841720 ARZFBFSZCABSES-UHFFFAOYSA-N 353.469 2.734 0 50 FFAA O=C(O)c1cn(C[C@@H](O)Cc2ccccc2)cc(Oc2ccccc2)c1=O 55245283 QEVAOQZNLXGNBO-INIZCTEOSA-N 365.385 2.942 0 50 FFAA Cn1cc2c(n1)CCC[C@@H]2c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1 349928881 MGGDJMLAIYDEIX-HNNXBMFYSA-N 363.421 2.831 0 50 FFAA CCc1nc(C)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]1 55414311 PVSLCWYTRDANLN-HXUWFJFHSA-N 370.541 2.782 0 50 FFAA O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccccc1-c1ncc[nH]1 102537368 ZYDYRBWJWSULQQ-HNNXBMFYSA-N 360.417 2.891 0 50 FFAA N[C@@H](Cc1cscn1)C(=O)Nc1ccc(C(=O)OC2CCCC2)cc1 55310361 DVWYISHSVVBQDB-INIZCTEOSA-N 359.451 2.751 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(Cl)nc1Cl 25695211 ZCZCFAVACKEOPD-UHFFFAOYSA-N 371.220 2.969 0 50 FFAA CC[C@H](NC(=O)c1ccc(C)c(NC(=O)C2CC2)c1)c1ncnn1CC 65465675 IKCRSGGPWCINJW-HNNXBMFYSA-N 355.442 2.836 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@]4(CCCNC4)C3)cc2)n1 67725602 YENALTVNFMQLMJ-OAQYLSRUSA-N 352.482 2.764 0 50 FFAA Cc1ccc(C)c(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N(C)C)c1 11789500 PVYRRZRUGXMWBC-MSOLQXFVSA-N 372.538 2.860 0 50 FFAA COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1ccccc1 3052918 YUBSCTSCZSXGFP-UHFFFAOYSA-N 352.346 2.820 0 50 FFAA COc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC 5031186 NWPUEJFBJMCTBN-SFHVURJKSA-N 370.361 2.564 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN1CCOc1ccc(OC(F)(F)F)cc1 173893380 DUOCTNHMEVDNJY-OAHLLOKOSA-N 358.360 2.707 0 50 FFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(C(=O)O)cc1 217680596 VOTYVCPRWVFKQU-CQSZACIVSA-N 371.345 2.642 0 50 FFAA biogenic O=C(O)c1ccn(-c2cccc(CNC(=O)c3cccc4c3CCC4)c2)n1 439913161 RVKBDPCEDVJHIZ-UHFFFAOYSA-N 361.401 2.989 0 50 FFAA O=C(c1cccc2c1OCO2)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 365662072 SKSYTPAASDJJFI-FQEVSTJZSA-N 357.381 2.622 0 50 FFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 332469385 RJKXJEOVZSLGHU-HOTGVXAUSA-N 368.499 2.724 0 50 FFAA CN(C)[C@@H](CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1ccco1 126638950 UXFBNRXQMMUAEA-RXVVDRJESA-N 369.465 2.766 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3cc(C(C)(C)C)[nH]n3)C2)CCC1=O 77489017 KSHMRMPWRHBXIL-FQEVSTJZSA-N 362.518 2.558 0 50 FFAA CC(=O)OC[C@@H](NC(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccccc1 71769205 SGBVBMQGCSQXIP-MOPGFXCFSA-N 355.390 2.653 0 50 FFAA Cc1cc(Br)cc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)c1 333536394 NBTXUZCNNQDZBA-GFCCVEGCSA-N 365.231 2.949 0 50 FFAA O=C(O)C[C@H]1COCCN1C(=O)c1cc(C(F)(F)F)ccc1Cl 72151936 XDLRPUUZZQRCIR-VIFPVBQESA-N 351.708 2.675 0 50 FFAA CNC(=O)COc1cccc(CC(=O)N2C[C@H]3CC[C@H]2c2ccccc23)c1 374652174 FIDRBDJNHHSHPV-UZLBHIALSA-N 364.445 2.815 0 50 FFAA CCOc1ccccc1C(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72173757 LKJKSBVXYRFNAC-QGZVFWFLSA-N 370.424 2.798 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)C1 334056198 VLSPEKHMJSUUCH-UAGQMJEPSA-N 374.872 2.952 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3ccncn3)C2)cc1 215089518 OFHRYNMZWRKWJG-INIZCTEOSA-N 353.422 2.854 0 50 FFAA Nc1ncccc1CN1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 72481129 NOQOLTYMQONZPK-UHFFFAOYSA-N 366.465 2.693 0 50 FFAA O=C(c1nc2ccccn2c1CN1CCC2(CCCC2)C1)N1CCOCC1 71730560 QDRCEKMRERJADW-UHFFFAOYSA-N 368.481 2.573 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77339053 HWKYEFXODCNHEQ-NRFANRHFSA-N 353.462 2.564 0 50 FFAA COc1ccc(OC2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 72478442 ILGOEZIELHTLRR-UHFFFAOYSA-N 352.394 2.650 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)COCC(F)(F)C(F)F)c1ccccc1 218792655 XLKMRAFHZDELAN-ZDUSSCGKSA-N 359.323 2.543 0 50 FFAA O=C(NC[C@@H]1CCOC1)c1coc(COc2cccc3cccnc23)n1 71748612 OMXMTPFDJAXTJV-ZDUSSCGKSA-N 353.378 2.568 0 50 FFAA COCc1nc(CN2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)no1 71762697 ZVKCZZOCCNAJNX-GOSISDBHSA-N 369.421 2.951 0 50 FFAA COc1ccc2c(c1NC(=O)c1ccnc(O[C@@H]3CCOC3)c1)CCC2 240333288 FCTPYIVBZHNRSA-OAHLLOKOSA-N 354.406 2.999 0 50 FFAA COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1C 82170901 GDPHLGDBQDWVDM-NRFANRHFSA-N 360.498 2.591 0 50 FFAA Cc1csc(SCC(=O)N2CCN(Cc3ncccc3C)CC2)n1 221374371 QDARXLLULMWZFP-UHFFFAOYSA-N 362.524 2.591 0 50 FFAA C[C@H](CNC(=O)C1(c2ccccc2)CCN(C)CC1)Oc1cccnc1 222485966 DWFZGGUUXWRBFK-QGZVFWFLSA-N 353.466 2.629 0 50 FFAA Cc1nnsc1CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2 291872408 JXUMQSCUSGYXJD-MRXNPFEDSA-N 358.467 2.740 0 50 FFAA Cc1ccc(N2CCN(C(=O)CCn3cnc4ccccc43)CC2=O)cc1 82096240 LZEZMBIKYWLBIG-UHFFFAOYSA-N 362.433 2.610 0 50 FFAA C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 223234337 XXCPFEMMZNXXSQ-CYBMUJFWSA-N 361.405 2.540 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CC(Oc3ccccc3OC)C1)C2 91269685 ZPOYVXBKDMWKKM-OAHLLOKOSA-N 369.417 2.545 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)CCc1cc(Cl)no1)C2 95526705 VECGRSHEJOCUCT-NSHDSACASA-N 350.802 2.637 0 50 FFAA CCCCCOc1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 97815565 CIICDUQIHWDVJG-OALUTQOASA-N 361.486 2.928 0 50 FFAA COc1ccnc(-c2ccc(C(=O)N(C)CCCc3nccn3C)cc2)n1 426521169 FPKVWYBLBMYASR-UHFFFAOYSA-N 365.437 2.591 0 50 FFAA COCCCCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 95355078 HVGJUPOHRPFBAZ-GOSISDBHSA-N 358.482 2.858 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)c(=O)n1 426369149 HPBIVFUBLJSHBW-QFIPXVFZSA-N 365.477 2.878 0 50 FFAA CCCN(Cc1ccc(F)cc1)C(=O)Cn1ccc([C@H]2CCCNC2)n1 426412416 LDWLVCINNUPRMR-KRWDZBQOSA-N 358.461 2.928 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1C 239425982 VOGQPBMKWCFBNE-OKIBFCIISA-N 364.445 2.684 0 50 FFAA Cc1nnc(CCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)s1 91586190 RKAUSTWGTQYWBF-IBGZPJMESA-N 373.478 2.989 0 50 FFAA CCn1nc(C)c(-c2cn(CC(=O)Nc3ccc(C)cc3F)nn2)c1C 91987431 MXFGSXRBZGEOKS-UHFFFAOYSA-N 356.405 2.865 0 50 FFAA CC[C@H](C(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1)N1CCCC1 96150299 YHOIAMXRTCLZQJ-LJQANCHMSA-N 368.481 2.844 0 50 FFAA CNc1nc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ncc1F 95382619 KYJHKNXKTIMUMC-CQSZACIVSA-N 367.432 2.681 0 50 FFAA CSc1ccc([C@@H](C(=O)O)N2CCC(OCCN(C)C)CC2)cc1 95362384 BCMIHSWOVSVYDE-KRWDZBQOSA-N 352.500 2.577 0 50 FFAA Cc1ccc(-c2cccc(C(=O)N3CCN(C)C4(CCNCC4)C3)c2)o1 97785384 WJAHIXPLFXIQJM-UHFFFAOYSA-N 353.466 2.765 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91859915 CYQPCRVWDORUGW-IBGZPJMESA-N 367.405 2.684 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3cc(C)c4nc(C)nn4c3)cc2)CC1 534577322 YLAIEZRKUGISBO-UHFFFAOYSA-N 363.465 2.791 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2COC3(CCCCC3)C2)cc1N1CCNC1=O 299792117 GOPUDVLKKYEZEX-INIZCTEOSA-N 357.454 2.746 0 50 FFAA Cc1c(CCNC(=O)CN2CCCCCC2=O)c2cccc3c2n1CCC3 299779627 AIPGYYCVGGWVLO-UHFFFAOYSA-N 367.493 2.957 0 50 FFAA COC[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc2ccoc2c1 1875344246 IABFJUSMELBSFX-RHSMWYFYSA-N 360.454 2.976 0 50 FFAA COC(=O)c1cc(C(=O)O)cc(-c2ccc3[nH]cc(CC(=O)O)c3c2)c1 1875337573 YKTURLDBKNGQGL-UHFFFAOYSA-N 353.330 2.947 0 50 FFAA CS(=O)(=O)NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 1875390165 JXEBDPDZYHPWHT-AWEZNQCLSA-N 357.790 2.675 0 50 FFAA O=C(N[C@H](c1ccc(F)cc1)c1ccccn1)NC12CC(C(=O)O)(C1)C2 1875276818 FVJXTGSXAOMUJK-VNCLNFNDSA-N 355.369 2.617 0 50 FFAA C[C@H](NC(=O)[C@@H]1NCCc2nn(C)cc21)c1ccc(C(F)(F)F)cc1 1875287423 KAPKDJGUVSOJSX-ZUZCIYMTSA-N 352.360 2.503 0 50 FFAA O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2c1CCC2 1875255566 DWWWGBGVIRGPQS-FQEVSTJZSA-N 364.445 2.505 0 50 FFAA O=C(C[C@H]1OCCc2ccsc21)NCCN1CCc2sccc2C1 1875254583 SPZLKYUYTQOPCA-OAHLLOKOSA-N 362.520 2.988 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 952977649 IXZHYKLRXBEQRF-NSHDSACASA-N 368.418 2.524 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3ccccc3C(F)(F)F)C2)n1 888078928 JRZZHHQKPORAND-MRXNPFEDSA-N 355.360 2.966 0 50 FFAA Cc1ccc(-c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)c(=O)n1C 896225810 IKKHMJLRUJIZHA-VIFPVBQESA-N 353.304 2.568 0 50 FFAA O=C(COCc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565515872 JOCJWOJIPHSCNE-RTWAWAEBSA-N 365.477 2.721 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529195954 SHYPCDBHZVNFQF-DNVCBOLYSA-N 365.433 2.769 0 50 FFAA CCCCCc1nnc(NC(=O)c2coc(CN3CCOCC3)c2)s1 1529095735 VNVACACIOUINFZ-UHFFFAOYSA-N 364.471 2.948 0 50 FFAA O=C(N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12)c1cnc(C2CC2)nc1 1615964774 YJNJCRMBORIYQA-JXFKEZNVSA-N 374.444 2.890 0 50 FFAA CCOCCN1C[C@@H]2CN(Cc3cnc[nH]3)C[C@]2(CCc2ccccc2)C1 1772815983 CAUMRKRSMGOWLR-IRLDBZIGSA-N 368.525 2.813 0 50 FFAA O=C(C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O)N1CCCC1 11963133 UCCGENINVPLIQL-OAQYLSRUSA-N 372.440 2.778 0 50 FFAA O=C(CCSc1nnnn1-c1ccc(Cl)cc1)Nc1nccs1 12274089 LBLCZMXCZQJHAU-UHFFFAOYSA-N 366.859 2.893 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 12404170 ZHKHWQDYLPOEJE-HNNXBMFYSA-N 356.422 2.777 0 50 FFAA CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 12404256 WAKJPUBZNULRJH-LJQANCHMSA-N 368.433 2.955 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CC4CC4)C3)C2=O)c1 12758645 AEFHUACVFIDVPA-NRFANRHFSA-N 356.466 2.836 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(COc3ccccc3)n2)C1 14949744 ULFZATISOKCCHP-CQSZACIVSA-N 358.394 2.669 0 50 FFAA Clc1ccc(-c2noc(CN3CCN(c4cnccn4)CC3)n2)cc1 14965887 RBKWSKBAHNVELZ-UHFFFAOYSA-N 356.817 2.502 0 50 FFAA COc1ccccc1CNC(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 14966784 MRRDJJFYNLAPOF-HXUWFJFHSA-N 356.422 2.576 0 50 FFAA Cc1ccccc1CC(=O)N1CCC(=O)N(CCOc2ccccc2)CC1 14993095 ZXFHTMLWIVDFJV-UHFFFAOYSA-N 366.461 2.677 0 50 FFAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2 15071034 BYAZDWWNLJFZGC-PYUISTEWSA-N 367.497 2.512 0 50 FFAA CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 16602919 YWTZDPZKNGMYGK-UHFFFAOYSA-N 363.439 2.582 0 50 FFAA O=C(C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCc1ccccc1 16625325 JSAJNFDLONKIET-KRWDZBQOSA-N 360.417 2.825 0 50 FFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1 169772892 PGUZOBCCHYEINP-NSHDSACASA-N 368.368 2.702 0 50 FFAA CCn1cc(S(=O)(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cn1 1875247492 XFKSJYJYMJRELM-MSOLQXFVSA-N 363.483 2.690 0 50 FFAA O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 253186248 VKKMZBUFVIQWNX-KLZCAUPSSA-N 369.387 2.903 0 50 FFAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 162773755 LUDUWDHCESEHSD-WBMJQRKESA-N 371.437 2.522 0 50 FFAA c1cncc(-c2nc3c(c(N[C@H]4CNCC5(CCOCC5)C4)n2)CCC3)c1 905689318 FVUCTPGDJXGUKZ-MRXNPFEDSA-N 365.481 2.598 0 50 FFAA COc1ccc(-c2nnc3sc(Cn4nc(C)cc4C)nn23)cc1OC 36358589 VWIHGORDCSXGNS-UHFFFAOYSA-N 370.438 2.732 0 50 FFAA Cc1cc(C(=O)N[C@@]2(C)C[C@@H]2c2ccccc2)cc(S(N)(=O)=O)c1C 2325770172 NLMAAFZPERDOCR-APWZRJJASA-N 358.463 2.627 0 50 FFAA COc1cc(F)cc(-c2nc(=NC3CCC(N4CCCC4=O)CC3)o[nH]2)c1 2325775594 NUDKAXQEONVCLY-UHFFFAOYSA-N 374.416 2.652 0 50 FFAA CO[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(C(=O)CCCC3CC3)C2(C)C)C1 2325863139 XKOXPEYNHBHGAT-BRWVUGGUSA-N 350.503 2.878 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2cc(F)ccc2Br)CC1 2325884130 IDUBIUWPQNYBEJ-UHFFFAOYSA-N 369.234 2.629 0 50 FFAA CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 662130 NWXMAYKKAMUEQM-UHFFFAOYSA-N 364.492 2.658 0 50 FFAA CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 1119567 FNISHHOHONCIEE-GOSISDBHSA-N 354.406 2.851 0 50 FFAA O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCC1 2857564 NOOFISSNGPRNKK-UHFFFAOYSA-N 372.490 2.720 0 50 FFAA Cc1cccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C 3451916 GCMJYULNEDQIGM-UHFFFAOYSA-N 354.479 2.695 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccncc1 3578112 UAGYQOKUBFJDGD-UHFFFAOYSA-N 361.377 2.886 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 4174301 UHFLHKZQPYROIV-UHFFFAOYSA-N 369.494 2.839 0 50 FFAA COc1ccc(-c2nnc(SCC(=O)Nc3ccccn3)o2)cc1OC 4411979 MMXGDTKQQFSNHY-UHFFFAOYSA-N 372.406 2.880 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)N(C)C2Cc3ccccc3C2)CC1=O 55627350 DDOFVVAWMHOHLH-QGZVFWFLSA-N 364.445 2.674 0 50 FFAA CCn1ccnc(N2CCC(NCc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1=O 328622974 BQUPMSRSQWFVMQ-RHSMWYFYSA-N 356.470 2.738 0 50 FFAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 23368463 VNNHCBKUVLXOCC-OAHLLOKOSA-N 374.506 2.842 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2csc(C)n2)CC1 328651833 WBMHIGQZERNXRZ-SFHVURJKSA-N 359.499 2.645 0 50 FFAA CC(C)N1CCCC[C@H]1C(=O)NCCc1nccn1Cc1ccccc1 118765801 PWXRZLAOUXVENH-IBGZPJMESA-N 354.498 2.853 0 50 FFAA Cc1nc(NC(=O)c2ccc([C@@H]3CCCN3)s2)sc1C(=O)N(C)C 23369030 TZLVFADIEHFGNR-JTQLQIEISA-N 364.496 2.892 0 50 FFAA Cc1cc(N2CCN(CC(C)(C)N3CCOCC3)CC2)c2ccccc2n1 65382989 SYFAVYCROMVKFY-UHFFFAOYSA-N 368.525 2.776 0 50 FFAA Cc1cc(C(=O)N2CCc3onc(-c4ccc(Cl)cc4)c3C2)nc(N)n1 67947550 BOOZPFKIDMDRBQ-UHFFFAOYSA-N 369.812 2.874 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN1CCN(CC(C)(C)C)[C@@H](CCO)C1 20600693 FJRHLBMJZMWFHT-SFHVURJKSA-N 350.551 2.996 0 50 FFAA CCN1CCC(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 20206609 YMVYAUUCOHNRLG-INIZCTEOSA-N 369.431 2.880 0 50 FFAA O=S(=O)(c1cnc2n1CCC2)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 328737564 LSQHRGYKFRSYSS-NSHDSACASA-N 363.405 2.573 0 50 FFAA COc1ccccc1COC[C@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 248779713 WQZIDBPGWUSMEC-KNQAVFIVSA-N 369.461 2.704 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)cc1 20322008 CFRSJANZZZLSND-FQEVSTJZSA-N 373.522 2.775 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cc4ccccc4c(O)n3)CCO2)o1 330311269 VQYAZYMRXCGDNG-OAHLLOKOSA-N 368.393 2.661 0 50 FFAA C[C@@H](C(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)c1ccccc1 437943187 SQJXBIJBLNVRIR-UIFIKXQLSA-N 350.462 2.902 0 50 FFAA Cc1nc(CCC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n[nH]1 67515391 OROBNGNOZRYVPK-CQSZACIVSA-N 369.252 2.953 0 50 FFAA CN(C(=O)c1cc(COc2cccc3cccnc23)on1)[C@H]1CCOC1 12431293 GUPRDXDYWGVNAM-AWEZNQCLSA-N 353.378 2.663 0 50 FFAA Cc1csc([C@H](NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)C(F)(F)F)n1 333630981 HOHAFUSEHJMIQU-HGCLJGPKSA-N 359.373 2.650 0 50 FFAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237528491 GDRYTECYSNFNTB-FZMZJTMJSA-N 359.344 2.586 0 50 FFAA Oc1cccc(N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)c1 6402372 PNMQZOCLOKZMEV-UHFFFAOYSA-N 357.435 2.640 0 50 FFAA OC1CCN(c2ccnc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)CC1 71746113 XODLJJTXTSKADK-QGZVFWFLSA-N 374.872 2.669 0 50 FFAA Cc1nnc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c2ccccc12 77425105 QLIBRSZAXUHBKE-OAHLLOKOSA-N 365.485 2.512 0 50 FFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 36067946 IPLCTQCKDMKKKE-UHFFFAOYSA-N 359.495 2.791 0 50 FFAA C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc3c(c2)ncn3C)CC1 151849860 NYAPTMQEOIVGPJ-HNNXBMFYSA-N 363.465 2.924 0 50 FFAA Cn1cc(N2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cn1 150977419 HYVXUYWIXOOWAL-QGZVFWFLSA-N 369.469 2.554 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 218853530 VJZLCCCCLPAHNF-UHFFFAOYSA-N 372.415 2.899 0 50 FFAA Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](C(=O)O)N(C(=O)C1CC1)C2 72470831 XXSPWEHCFROLKZ-SFHVURJKSA-N 374.456 2.812 0 50 FFAA Cc1ccc(C(=O)NC2CCNCC2)cc1NC(=O)c1ccccc1F 262504682 FYGXSRSFHIMTSR-UHFFFAOYSA-N 355.413 2.868 0 50 FFAA c1cc2c(cc1Cc1nn3c(CN4CCCCC4)nnc3s1)OCCO2 39389275 NOVYVTUHCFKDFT-UHFFFAOYSA-N 371.466 2.534 0 50 FFAA CCC1(CC)CN(c2nc(-c3ccncc3)nc3c2cnn3C)CCO1 72121881 PWJSJXYUEOIMQU-UHFFFAOYSA-N 352.442 2.821 0 50 FFAA Cc1cc(C)c2[nH]c(=O)c(-c3nccn3CCSc3cn[nH]n3)cc2c1 71714812 WAZQQHSEUXTEJG-UHFFFAOYSA-N 366.450 2.919 0 50 FFAA O=C(c1ccc([C@@H]2CCNC2)cc1)N1CCN(Cc2cccc(F)c2)CC1 72439402 MBGCMDKSIOOTER-HXUWFJFHSA-N 367.468 2.861 0 50 FFAA CC(C)N1CCCC[C@H]1CCNC(=O)N(CCO)Cc1ccc(F)cc1 426589920 DNQMWCXWOBTUIO-IBGZPJMESA-N 365.493 2.983 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)NCC1CCOCC1 194978747 UDJLWVAQZXAGIR-UHFFFAOYSA-N 356.451 2.703 0 50 FFAA CC(C)(C)n1nnnc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 329781457 SQSVOZZLIOKQGA-AWEZNQCLSA-N 352.446 2.550 0 50 FFAA Cn1c(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)nc2ccccc21 292564877 UPKDGJXPUDGDFP-ZDUSSCGKSA-N 358.833 2.580 0 50 FFAA Cc1c(NC(=O)N2CCC[C@@H]2Cn2cccn2)cccc1-c1nncn1C 426369188 MRQAHJJLMJNWAP-OAHLLOKOSA-N 365.441 2.684 0 50 FFAA CC(C)c1csc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1 223708265 VOVLJSBENOTGMK-GDBMZVCRSA-N 361.467 2.766 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3cc(F)c(F)c(F)c3)[C@H]2C1 426493264 SMSZITAAVCZIRV-XLWVJDPXSA-N 357.372 2.831 0 50 FFAA CCCn1cnnc1CN(C)Cc1c(-c2cc(C)on2)nn(C)c1Cl 97797355 YFUPRYCKSQALAE-UHFFFAOYSA-N 363.853 2.670 0 50 FFAA O=C1Nc2ccccc2C12CCN(Cc1ccc(OCCO)cc1)CC2 97823616 RTPBARRFHTXSAI-UHFFFAOYSA-N 352.434 2.544 0 50 FFAA CCc1noc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95376464 PYSLITJIUNSKFV-CYBMUJFWSA-N 358.471 2.713 0 50 FFAA Cc1cnc(C)c(-c2ccc(C(=O)NCCCc3csc(N)n3)cc2)n1 426549903 JNVWFEZJLVFBEK-UHFFFAOYSA-N 367.478 3.162 0 50 FFAA NC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H]2COc3ccccc3C2)c1 181244841 QKQZRGZFUFGRBB-INIZCTEOSA-N 365.433 2.576 0 50 FFAA CSc1ncc(CNC(=O)CN2CCC[C@H](c3ccccc3)C2)n1C 95355462 NUQISACDNIFRAA-INIZCTEOSA-N 358.511 2.638 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)cs1 97744741 JSBYVXBMSOQASD-HNNXBMFYSA-N 370.474 2.683 0 50 FFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(Cc1c[nH]cn1)CC2 97295227 OFKXCOYFFHMLFO-FQEVSTJZSA-N 350.422 2.970 0 50 FFAA Cc1nc2sccn2c1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91896400 WPKCYUKJIUQKCB-IBGZPJMESA-N 372.494 2.569 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCCc3nc(-c4ccco4)no3)C2)n1 91518734 OHELXIPUESQJTA-OAHLLOKOSA-N 369.425 2.939 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(c1nc(C)nc(C)c1C)CC2 91848937 WETZFYXMYTUGCZ-UHFFFAOYSA-N 360.502 2.647 0 50 FFAA CCc1nc(C)sc1CNC(=O)[C@@H]1CCCN(C2CCOCC2)C1 95356082 CXQGUXKFFKHEBQ-CQSZACIVSA-N 351.516 2.521 0 50 FFAA COCCN1CCC[C@@]2(CCN(c3ccc4cccc(OC)c4n3)C2)C1=O 95370045 RZBITKXCEBCKPC-NRFANRHFSA-N 369.465 2.709 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1 269167220 GBCVPWHARVOQKA-LLVKDONJSA-N 352.228 2.804 0 50 FFAA O=C1N(CCO)CCC[C@]12CCN(Cc1cccc(C(F)(F)F)c1)C2 91473895 HUSSOZMIZZBVCM-QGZVFWFLSA-N 356.388 2.512 0 50 FFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)N[C@@H](Cc1ccccc1)C(=O)O 95502086 LHRONHQMIGIICI-GBESFXJTSA-N 358.482 2.843 0 50 FFAA Cc1ccc(SC2CCN(C(=O)CN3CC[C@H](N(C)C)C3)CC2)cc1 244626481 FMLKBVWUJHPNIL-KRWDZBQOSA-N 361.555 2.714 0 50 FFAA O=C1NC[C@@H](NCCc2cccs2)n2nc(-c3ccc(F)cc3)cc21 263618707 VBROZPOVYMKYQW-KRWDZBQOSA-N 356.426 2.825 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)N1CCC(N2CCCC2)CC1)N(C)C 534584939 XYCBRNOIGQHPEV-QGZVFWFLSA-N 364.559 2.929 0 50 FFAA Cn1cnnc1CCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299778589 SCOJHFYAYGKLRP-BBWFWOEESA-N 364.453 2.676 0 50 FFAA Cc1cnc(-c2cccc(C(=O)N3CCCC[C@@H]3CO)c2)nc1N(C)C 299793194 JYPGAJXBPPFDBI-QGZVFWFLSA-N 354.454 2.505 0 50 FFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCc1ccccc1Cl 67126017 IPEHXXSDRDYVOP-YCPHGPKFSA-N 367.902 2.682 0 50 FFAA biogenic Cc1noc(C)c1CCCNC(=O)Nc1cccc(N2CCN(C)C2=O)c1 299791995 DXADLCBWOJSSJV-UHFFFAOYSA-N 371.441 2.918 0 50 FFAA CSc1nn2c(=O)cc(CN(C)Cc3ccc(C)s3)nc2s1 299772157 ZCRKXVNQJNBUEG-UHFFFAOYSA-N 352.510 2.875 0 50 FFAA Cc1ccccc1-c1noc(CNC(=O)[C@@H]2CC(=O)OC23CCCCC3)n1 299763123 YRAWFOYIYZSHPW-HNNXBMFYSA-N 369.421 2.927 0 50 FFAA Cc1nc(N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c2ccsc2n1 299758435 NBFYNHDZRZFNTB-HZPDHXFCSA-N 373.482 2.652 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NCc2cccc(F)c2)CN1Cc1ccccc1 299792829 HCPUNCFUGWVBFK-UXHICEINSA-N 355.457 2.695 0 50 FFAA COc1cccc(CCC(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c1 824776195 UCPJGLTWLPDKSO-INIZCTEOSA-N 356.422 2.642 0 50 FFAA CCc1ncc(S(=O)(=O)N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)[nH]1 670451600 WLXWINUCFBUYAC-INIZCTEOSA-N 361.471 2.832 0 50 FFAA CCc1cnc2ccccc2c1C(=O)NC[C@H](C[C@H]1CCOC1)C(=O)O 1875277807 GULIUVJOYFBMMS-HIFRSBDPSA-N 356.422 2.654 0 50 FFAA Cc1nc([C@H](C)NC(=O)N[C@@H]2Cc3n[nH]cc3[C@H](C(F)(F)F)C2)[nH]c1C 1875278311 PMPOGCJUKYALPI-JBLDHEPKSA-N 370.379 2.771 0 50 FFAA C=CC(=O)NC[C@@H](NC(=O)c1ncoc1C(F)(F)F)C1CCCCC1 1875385952 GBJQEHOSDVXMNH-LLVKDONJSA-N 359.348 2.674 0 50 FFAA CO[C@@](C)(CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C1CCCCC1 1875349817 OCLXIZMGATYZEP-IBGZPJMESA-N 357.458 2.686 0 50 FFAA Cc1nc(O)cc(N2C[C@H](NC(=O)[C@H]3C[C@]3(C)C(C)C)CC3(CC3)C2)n1 1875407208 UYGPEYDZINIYCX-SPYBWZPUSA-N 358.486 2.648 0 50 FFAA Cc1nccn1CC(=O)N1CC2(CCOCC2)[C@@H]1c1cnn(C(C)(C)C)c1 888101125 GTFFLPDLQKVRJW-SFHVURJKSA-N 371.485 2.523 0 50 FFAA CCCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)n[nH]1 1565527210 JZQMVIQRTMDKRX-QAPCUYQASA-N 366.465 2.739 0 50 FFAA NC(=O)c1cc([C@H]2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)n[nH]1 271362118 IRZBEWFEJWURMY-QMMMGPOBSA-N 373.766 2.960 0 50 FFAA O=C(O)c1csc(S(=O)(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 274306443 PGHLBIQJJGKUBQ-SECBINFHSA-N 363.416 2.715 0 50 FFAA Cc1cc(N2C(=O)[C@H](c3cccc(Br)c3)N(C)C2=O)no1 170613746 KOVUYLWNMYBYIQ-LBPRGKRZSA-N 350.172 2.885 0 50 FFAA CCOc1cc(CNc2nnc(-c3cnn(C)c3)o2)c2c(c1)C[C@H](C)O2 170607128 VVPBSHMWXNKQMK-NSHDSACASA-N 355.398 2.804 0 50 FFAA Cc1c(C(=O)N2CCCC[C@H]2CN2CCOCC2)cnn1-c1ccccc1 110953331 UNRZZHXWQDJHFM-IBGZPJMESA-N 368.481 2.508 0 50 FFAA CCc1nn(C)c(CC)c1CC(=O)N1Cc2ccccc2N(C)C[C@H]1C 189070012 JKZBXQNBRFFJQY-OAHLLOKOSA-N 354.498 2.955 0 50 FFAA CN(Cc1c(-c2ccccc2)nc2ccccn12)CC1(O)CCOCC1 189754863 MQOIESFQQBBYPT-UHFFFAOYSA-N 351.450 2.975 0 50 FFAA Cc1noc(C)c1C[C@H](C)NC(=O)NC1CCC(Oc2cnccn2)CC1 190816299 AKMFBYXNVOTERI-JQRITLKVSA-N 373.457 2.702 0 50 FFAA CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1CCCc2cccnc21 193897648 QBMDXBJPQNIJEV-IBGZPJMESA-N 365.477 2.997 0 50 FFAA CCNC(=O)c1ccc(N[C@H]2CCCN(C(=O)c3cccs3)C2)nc1 1529196438 ZTFSAHOQILHFGU-AWEZNQCLSA-N 358.467 2.610 0 50 FFAA Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704342607 AKRFUTUTXGEQDT-DOTOQJQBSA-N 368.861 2.547 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1OC 11843027 LWJZCNYCCSZSCX-INIZCTEOSA-N 374.481 2.959 0 50 FFAA CC1CCN(C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)CC1 11934946 AWBLJZMWENOPDX-LJQANCHMSA-N 352.425 2.550 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H](C)C3)C2)cc1 11996563 GYROYZVYGSDGNF-IAGOWNOFSA-N 364.511 2.654 0 50 FFAA O=C1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)=NN1 14972867 NRJRQOSTGXOLSM-QGZVFWFLSA-N 363.417 2.527 0 50 FFAA Cc1cccc(CN2CCN(Cc3c(C)nn(C)c3Cl)CCC2=O)c1 19839224 LBZDXIMCVWMCIK-UHFFFAOYSA-N 360.889 2.925 0 50 FFAA C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O 5092232 BCGZSUJANOSRFW-JASJWYONSA-N 372.808 2.700 0 50 FFAA Cc1ccc(-n2nc(CC(N)=O)nc2-c2cc(C)nn2C(C)(C)C)c(C)c1 1857681388 CEVHNZVLGIHOOS-UHFFFAOYSA-N 366.469 2.839 0 50 FFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)C[C@H]2CC2(F)F)CC1 1857695090 TWHBXHBQPBOHIQ-JTQLQIEISA-N 371.405 2.882 0 50 FFAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)Cc3cccc(C(F)(F)F)c3)C[C@H]2CO1 1857720662 DQULJVZNSLRYTA-ULQDDVLXSA-N 370.415 2.862 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3ncnc4sccc34)C2)N1Cc1ccccn1 221938082 IBKUBUCJXMRABE-HIFRSBDPSA-N 365.462 2.714 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n(C)n1 123386282 UVGCIGSPQDEQLP-KBPBESRZSA-N 353.344 2.695 0 50 FFAA O=C(c1cc(F)ccc1F)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247347072 BMAPRQDOVFFPMK-LIRRHRJNSA-N 359.328 2.668 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(S(C)(=O)=O)cc3)C1)CC2 1704326164 ZGUOPUOANKMQDM-HXUWFJFHSA-N 371.506 2.669 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@H](CC(=O)NC)C3)ncnc21 2100473506 NRYHLAHLDDZODD-HNNXBMFYSA-N 372.517 2.787 0 50 FFAA O=C(CN1C(=O)CCCc2ccccc21)N1CC[C@@H](c2ccc(F)cn2)C1 2325750876 OQAMQLHOASUWNU-MRXNPFEDSA-N 367.424 2.906 0 50 FFAA Cc1nnc(N(C)S(=O)(=O)c2c(C)cccc2Br)s1 2325787140 DWEFKIPQSBXKCX-UHFFFAOYSA-N 362.274 2.743 0 50 FFAA CO[C@@H]1CN2CCC[C@]2(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1 2325805379 DIXVEDNXPRMRMF-AZUAARDMSA-N 354.454 2.681 0 50 FFAA C[C@H](CCNC(=O)c1ccc2cccnc2c1)N(C)C(=O)c1cocn1 2325871210 BVKJKZCFDUNVNH-CYBMUJFWSA-N 352.394 2.503 0 50 FFAA Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)c(O)c1 629923 JMAUTMRIADRLGH-UHFFFAOYSA-N 350.168 2.777 0 50 FFAA Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1C 1147890 XGPUUHWOOOZLLP-UHFFFAOYSA-N 352.843 2.874 0 50 FFAA COc1ccc(Cn2nc(C)cc2NC(=O)Cc2cc(C)no2)cc1OC 2356136420 UDFLBVIAMPEXAI-UHFFFAOYSA-N 370.409 2.735 0 50 FFAA Oc1nc(-c2ccccc2)nc2c1CCC21CCN(C2CCNCC2)CC1 2356168732 CUFRLYZPINLOIU-UHFFFAOYSA-N 364.493 2.881 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H](CO)c1ccccc1 55242455 LCSNEYBQLGFXNK-INIZCTEOSA-N 359.447 2.790 0 50 FFAA O=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 114905304 MKBYSFLDFIWACC-CQSZACIVSA-N 373.432 2.797 0 50 FFAA CC(C)(O)c1cn(C2CCN(c3ncccc3C(F)(F)F)CC2)nn1 55325266 OAJASEWVWUMCOT-UHFFFAOYSA-N 355.364 2.761 0 50 FFAA CCc1nccn1CCCNC(=O)c1ccc(CSc2ncccn2)o1 55385573 WOIVKELLLNTXCE-UHFFFAOYSA-N 371.466 2.941 0 50 FFAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1nn(C)c(=O)c2ccccc12 55393456 FBADSMUIYONKHS-LBPRGKRZSA-N 351.410 2.662 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N(C)C2CCSCC2)n[nH]1 67788897 UIFUEOSGOBQTQX-UHFFFAOYSA-N 361.467 2.965 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@@H](C(C)(C)O)C3)n[nH]2)c1 67881023 PRZIBVIBVKBSGV-CQSZACIVSA-N 373.453 2.620 0 50 FFAA Cc1cc(C[C@@H](C)NC(=O)c2cc(CN(C)Cc3ccccc3)on2)[nH]n1 67678834 ITZNFAIVXATENB-CQSZACIVSA-N 367.453 2.699 0 50 FFAA CCOC(=O)Cn1cc(-c2cc(C(=O)N(C)C)c3cccc(C)c3n2)cn1 23506688 VOHLRPVNKRQNLG-UHFFFAOYSA-N 366.421 2.672 0 50 FFAA c1ccc(COc2ccccc2OCCNCCN2CCOCC2)cc1 20500060 PZGZXVPVHUIENT-UHFFFAOYSA-N 356.466 2.566 0 50 FFAA O=C(CSc1ncn[nH]1)NCc1cccnc1Oc1ccccc1F 67713632 NZAFLUZTVQVOFW-UHFFFAOYSA-N 359.386 2.540 0 50 FFAA Cc1nc2cc(OCc3cc(C(=O)NCc4ncc[nH]4)no3)ccc2s1 67821072 ZZQUIGLVXRCWGW-UHFFFAOYSA-N 369.406 2.825 0 50 FFAA CC(C)c1ccc(-c2noc(CN3CCN(c4cnccn4)CC3)n2)cc1 144309347 YNROWFWGAJEHNS-UHFFFAOYSA-N 364.453 2.972 0 50 FFAA CC(C)N1CCCn2nc(C(=O)NC[C@@H]3OCCc4ccccc43)cc2C1 65423955 ZXKMMZQXLULBDY-FQEVSTJZSA-N 368.481 2.541 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccc([C@H]2CCCN2)s1 20999648 OMBIWJXHIJCCQF-CYBMUJFWSA-N 353.451 2.888 0 50 FFAA O=c1oc2cc(OC[C@@H](O)CNc3ccccn3)ccc2c2c1CCCC2 20744474 FOSXISBTUSDDEP-AWEZNQCLSA-N 366.417 2.919 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCN(C)[C@H](CCO)C3)c(C)o2)cc1C 67804884 PZXNKOZCZCDCEX-QGZVFWFLSA-N 373.497 2.774 0 50 FFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 122535528 QEAFYUGVQKTAER-ICSRJNTNSA-N 369.509 2.731 0 50 FFAA O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(CCNc3cccnc3)nc21 65410362 AWOZLJQEBDOIMJ-AWEZNQCLSA-N 365.412 2.668 0 50 FFAA CN(CCc1ccc2c(c1)CCO2)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328655610 YNUJDQKUDIVKHG-SIKLNZKXSA-N 368.525 2.912 0 50 FFAA CCOC[C@H]1CCCN1C(=O)c1cc(CN(C)Cc2ccccc2)on1 67689294 BNMLTEIVMVNIIJ-QGZVFWFLSA-N 357.454 2.948 0 50 FFAA C[C@@](O)(CCNC(=O)NCCc1ccc2c(c1)CCO2)c1ccccc1 253417017 ZSCKTFCIMPYZDD-OAQYLSRUSA-N 354.450 2.761 0 50 FFAA Cc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)c2c(c1)[C@H](C)CCN2 253432088 ZSLILLPSMIKYSO-KFWWJZLASA-N 360.454 2.707 0 50 FFAA O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2nsc3ccccc23)CC1 33548445 YXBDHTACIQDRGS-KRWDZBQOSA-N 365.458 2.949 0 50 FFAA CN(C)c1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 10163553 XZZVESCLRBUHOC-UHFFFAOYSA-N 374.495 2.735 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 77287430 ALDPZIDFWAEIBK-QGZVFWFLSA-N 368.481 2.938 0 50 FFAA C[C@]1(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCCO1 153109065 OJTKKHKYMHWEQH-MRXNPFEDSA-N 369.343 2.896 0 50 FFAA O=S(=O)(NCC1([C@H](O)c2ccccc2)CC1)c1ccc2c(c1)CCC2 159334566 DMVQFKSAYRFIAG-LJQANCHMSA-N 357.475 2.967 0 50 FFAA COc1cc(CN2CCCC[C@@H]2CO)ccc1OCCN1CCCCC1 216363565 UTDHDBROPQRVBN-LJQANCHMSA-N 362.514 2.907 0 50 FFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1csc(-c2ccc3c(c2)OCO3)n1 262745685 XIAUOWKGIQDYOV-MNOVXSKESA-N 360.391 2.522 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(Cl)cc1 77355091 YJKKAPOJMINHFV-INIZCTEOSA-N 358.891 2.551 0 50 FFAA Cc1cccnc1CN1CCC(N2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 71551827 XCTLTXVSZPWCCO-LJQANCHMSA-N 370.541 2.689 0 50 FFAA O=C(NCCc1csc(-c2ccncc2)n1)[C@@H]1Cc2ccccc2O1 223632511 MPJQKUJVGAUMQF-KRWDZBQOSA-N 351.431 2.868 0 50 FFAA CCCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)[C@@H]1CCNC1 178894778 SNQFDUDRFVDHAM-MRXNPFEDSA-N 355.486 2.913 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1CN1CCOCC1 82160949 MBXBXIQVNHOSPU-GOSISDBHSA-N 368.481 2.712 0 50 FFAA Cc1ccc(CCC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)s1 290245517 ACEPNPLNYRSWGX-HNNXBMFYSA-N 360.483 2.765 0 50 FFAA FC(F)(F)c1nc(NCc2cc3n(n2)CCCNC3)nc2c1CCCC2 82161215 DUNJQXZFPNASFM-UHFFFAOYSA-N 366.391 2.676 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccnc(OC)c2)CC3)c1 48315041 JWLSUOHFZDZGFN-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 426563450 NLMYIJYHZXBKRU-CQSZACIVSA-N 361.829 2.570 0 50 FFAA CN(C)CCCN1CCN(C(=O)c2ccc(-c3ccncc3F)cc2)CC1 426506878 WNRXXVJWBDCWMY-UHFFFAOYSA-N 370.472 2.597 0 50 FFAA Cc1cc(=O)nc(S[C@@H](C)C(=O)NCc2coc(-c3ccccc3)n2)[nH]1 221369734 MTUQMEDMRFYOGI-LBPRGKRZSA-N 370.434 2.530 0 50 FFAA COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc3c(c2)OCC(=O)N3)cc1 161687641 MFCGPLFJGQHEKM-AWEZNQCLSA-N 368.433 2.977 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 82097364 QUJJENDUFQPOKL-LBPRGKRZSA-N 361.829 2.760 0 50 FFAA Cc1cc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)O)C2)cc(C)c1F 96147853 BUEZPJPKEHDMHZ-UWJYYQICSA-N 374.456 2.588 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc3occc3c1)CC2 91876796 ZDFVTEHPRGMRNC-UHFFFAOYSA-N 370.449 2.924 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCN(Cc1ccccc1C(F)(F)F)C2 91808480 ZJJADHZKVNRUNR-KRWDZBQOSA-N 356.388 2.512 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3nc4ccccc4o3)C2)N1Cc1cscn1 92107951 YBNBLPBWWGRQRI-GXTWGEPZSA-N 354.435 2.912 0 50 FFAA CN(C)[C@@H](C(=O)N1CCC(O)(c2ccccc2)CC1)c1ccccc1F 95363104 VBAZZHUSTLIXGZ-LJQANCHMSA-N 356.441 2.939 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2cc(Cl)ccc2[nH]1 95360339 WVEPYDJQMQQOIK-GOSISDBHSA-N 368.868 2.932 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(C(=O)Nc1cccc(C)c1C)CCN2C 95371343 VHKJENPFGSAHCZ-OAQYLSRUSA-N 372.513 2.854 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1C 239425979 VOGQPBMKWCFBNE-CUURYPBKSA-N 364.445 2.684 0 50 FFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cnc(-c2cccnc2)nc1 95360226 FJHPXQHQKKUNGW-LJQANCHMSA-N 370.416 2.906 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)C1 238068465 XXPLZHUBNSJJDT-ZDUSSCGKSA-N 361.373 2.522 0 50 FFAA CCCCNC(=O)Nc1ccc([C@@H](C(=O)O)N2CCSCC2)cc1 95375439 PORIBIAJOIOCNI-HNNXBMFYSA-N 351.472 2.783 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(Cc4ccco4)C3)CCC2=O)cn1 91270609 YFLKEGKROQXDJU-FQEVSTJZSA-N 354.454 2.783 0 50 FFAA CCN1C[C@H](CN(C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1=O 95508679 YGIHYWOLKDBOMS-LBPRGKRZSA-N 353.850 2.989 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1Cl)N1CCC[C@@H](OCCO)C1 181686369 VSEKMNWUCRTUBL-LLVKDONJSA-N 351.752 2.972 0 50 FFAA Cc1cc(O)nc(S[C@H](C)C(=O)NCCCc2nc3ccccc3[nH]2)n1 241081882 YRXMGBXCQAYYET-GFCCVEGCSA-N 371.466 2.597 0 50 FFAA CCCn1ncc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1C 244690968 JAFFQZRBLNJHQE-FUHIMQAGSA-N 369.465 2.778 0 50 FFAA Cc1cc2n(n1)CCN(C(=O)[C@]1(C)CCc3c(C)c(O)c(C)c(C)c3O1)C2 252495859 PDBMPKDZRYEFTE-NRFANRHFSA-N 369.465 2.948 0 50 FFAA Cn1nc(CNC(=O)N2CCC[C@@H]2Cn2cccn2)c2c(Cl)cccc21 534670781 AQQHVUIOEYIMMH-CYBMUJFWSA-N 372.860 2.797 0 50 FFAA CCN1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1 534663479 XSBTYHYGVWEZIJ-KRWDZBQOSA-N 369.440 2.806 0 50 FFAA O=C(NCCNc1cccnc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299779533 SDQWBLDQEYFWCE-ZCNNSNEGSA-N 350.466 2.835 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3cc4ccccc4n(C)c3=O)[C@H]2C1 299775674 MKQHAUWEGRCEIM-SLYNCCJLSA-N 356.466 2.697 0 50 FFAA O=C(Cc1cccc(F)c1)N1CCCN(C(=O)Cc2cccs2)CC1 75018466 GSYIJEMAWKGXQD-UHFFFAOYSA-N 360.454 2.733 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cnc(O)c4ccccc34)[C@H]2C1 299766138 BDGYIEVBODWWGL-QKMWGZLOSA-N 356.422 2.739 0 50 FFAA COc1ccc(Cl)cc1NC(=O)NCc1noc([C@@H]2CCCO2)n1 299761089 RATDLXBCTHLIAG-LBPRGKRZSA-N 352.778 2.905 0 50 FFAA COCCn1cncc1CNC(=O)c1ccc(N2CCCC2)c(Cl)c1 299756850 JJYJMTWQWINUSN-UHFFFAOYSA-N 362.861 2.713 0 50 FFAA CSc1ccc(-c2cccc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)c2)cc1 299794721 MXCCJIRQOYHHDC-MSOLQXFVSA-N 356.491 2.870 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCC[C@@H](C)n2ccnc2)c1C 299770181 PSBGDXDDUGAEJV-CYBMUJFWSA-N 359.430 2.549 0 50 FFAA COc1cc(C(=O)O)cc(C(=O)NC2CCN(Cc3cccs3)CC2)c1 824583545 BEYRSOKCKCOCGB-UHFFFAOYSA-N 374.462 2.849 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1cnc2ccnn2c1 1875398815 FUACXTJBVCDHTM-NVXWUHKLSA-N 367.457 2.581 0 50 FFAA CNC(=O)c1cc(Oc2cccc(OC[C@H]3C[N@]3CC3CC3)c2)ccn1 1875385204 OIJGYOVCTQURLL-CMJOXMDJSA-N 353.422 2.707 0 50 FFAA COCC[C@@H]1CCN(C(=O)Cn2cc([C@@H]3CCOC3)cn2)c2ccccc21 1875404514 LHHIAIYENWZCGA-DLBZAZTESA-N 369.465 2.944 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cc1C(F)(F)F 1875400448 AJHLMPDQTZUEON-DAXOMENPSA-N 367.371 2.780 0 50 FFAA COCCn1nc(C)c(CN(C)Cc2nnc(-c3occc3C)o2)c1C 1875256275 YGLBDVLMGOLFMX-UHFFFAOYSA-N 359.430 2.730 0 50 FFAA O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)N[C@@H]1CCN(C2CCC2)C1=O 888099933 FESYJSREHNPIPR-PMUMKWKESA-N 359.445 2.914 0 50 FFAA COc1cc(OC)cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565507589 GOJYIPHVAVPKRV-PBHICJAKSA-N 372.465 2.567 0 50 FFAA O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cc(F)c(F)cc1F 167316529 FLPADMPCNPOALA-AMFBXLIHSA-N 361.385 2.730 0 50 FFAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cccnc1N1CCOCC1 280806550 YYAHVUFNJKKSBS-JCNLHEQBSA-N 355.413 2.733 0 50 FFAA C[C@H](C(=O)NCc1ccccc1F)N1CC[C@H](CNc2ccccn2)C1 171642684 AIGYWSHSLOTRDB-HZPDHXFCSA-N 356.445 2.659 0 50 FFAA C[C@@H]1CN(C(=O)NCC2([S@@](C)=O)CCC2)C[C@@H](c2ccsc2)O1 281500903 JNBAUZUAZBTRPB-VFDKELDYSA-N 356.513 2.521 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@H]2O)on1 1529161188 BDFNLRQLZCKNOS-IUODEOHRSA-N 354.328 2.677 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1529196565 BVABAJFCYSERSY-MJGOQNOKSA-N 354.450 2.921 0 50 FFAA CC(C)Sc1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1 1529197524 RFFPWPLHSRUAKU-UHFFFAOYSA-N 371.509 2.841 0 50 FFAA CN(Cc1cc(=O)c2cc(Cl)ccc2[nH]1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704298255 INBXCNNGSCBVIO-TYNCELHUSA-N 359.857 2.528 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)s1 1704335675 DBERLMQWKNBQHF-IBGZPJMESA-N 371.510 2.736 0 50 FFAA O=C(CN1CCCCCC1)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615734622 HUKHEMJOVURMGJ-RXVVDRJESA-N 367.493 2.785 0 50 FFAA Cc1ccnc(N2C[C@H]3CN(C(=O)C4CCCCCC4)C[C@]3(CO)C2)c1 1772813782 SYVIZUMSVLJUTH-RXVVDRJESA-N 357.498 2.618 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 5050978 CQQPBQCAKBLJCA-MRXNPFEDSA-N 360.479 2.508 0 50 FFAA O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCc1ccsc1 11948181 PYAXSIOBOXCYBN-UHFFFAOYSA-N 357.391 2.776 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)C3CCOCC3)C2=O)cc1 12075840 SHLOFDFHYQUPEY-JOCHJYFZSA-N 374.525 2.774 0 50 FFAA CC(C)CN1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 12435708 PXXSPYATIXOOMH-IBGZPJMESA-N 358.530 2.530 0 50 FFAA COc1cccc(C[C@H]2CN(C(=O)Cc3sc(C)nc3C)CCO2)c1 12717437 GHDPCSGHORSFPK-KRWDZBQOSA-N 360.479 2.781 0 50 FFAA CN1CCC(N2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)CC1 12752337 JGKGIZALNFNTBN-QGZVFWFLSA-N 363.933 2.805 0 50 FFAA O=C(O)CCCC(=O)Nc1ccc(Cn2cc(Br)cn2)cc1 13961030 LGGNOXQVXNCJOL-UHFFFAOYSA-N 366.215 2.887 0 50 FFAA CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C(C)C)CC2 14747614 VVLQEOYWRFQEHT-UHFFFAOYSA-N 358.486 2.541 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 14953427 YAXAVLMCUYFCDR-LBPRGKRZSA-N 356.817 2.603 0 50 FFAA CN1CCCC[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 15005799 DAGWTJCEQLEESV-HKUYNNGSSA-N 351.450 2.653 0 50 FFAA COc1cccc(N2C(=O)CN(C(=O)c3ccc(C(C)=O)s3)C[C@@H]2C)c1 15069624 CDWAIGJEKLANCK-LBPRGKRZSA-N 372.446 2.837 0 50 FFAA CCn1cc(CN2C[C@H]3[C@@H](C2)OC(=O)N3CCc2ccc(F)cc2)c(C)n1 19791452 MMJSJXDIVJMUDQ-RBUKOAKNSA-N 372.444 2.598 0 50 FFAA O=C(Cn1ccn2nc3c(c2c1=O)CCCCC3)Nc1ccc(F)c(F)c1 169769474 AWBAGVDOZVAWJK-UHFFFAOYSA-N 372.375 2.682 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2S(=O)(=O)c1ccc(OC)cc1 1857676917 MNMIMUXIHIVVQU-FDQGKXFDSA-N 367.467 2.580 0 50 FFAA c1ccc(-n2nccc2-c2nccn2C[C@@H]2CC3(CCNCC3)CO2)cc1 1857696657 KLFCPDHHPUGKES-SFHVURJKSA-N 363.465 2.895 0 50 FFAA CC(C)c1nnc(N2C[C@@H](C(=O)N(C)CCc3ccccc3)CC2=O)s1 1857698182 GXPKGPMELQGDBZ-HNNXBMFYSA-N 372.494 2.716 0 50 FFAA Cc1c(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)[nH]c2c1C(=O)CCC2 1857700342 FLHCPZGUJCXUHX-UHFFFAOYSA-N 352.438 2.684 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2cc(O)ccc2F)[C@H]1c1ccccc1 1857738416 HCHZVTKFKNXAKR-OALUTQOASA-N 358.413 2.675 0 50 FFAA Cc1cscc1C(=O)N1CCO[C@@H](c2ccnc(N3CCCC3)n2)C1 328618499 DTEVVMLRBYOKFT-MRXNPFEDSA-N 358.467 2.660 0 50 FFAA COc1ccc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1 5488549 PRUBETMBRUZHPM-UHFFFAOYSA-N 355.419 2.919 0 50 FFAA CC[C@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)C[C@@H]1O 332138473 LPNGNSQXFBNATM-CABZTGNLSA-N 370.787 2.701 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 237127735 IHHWJDHUHXPSAB-VXGBXAGGSA-N 359.253 2.572 0 50 FFAA CNC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Br 237238672 MLZPUVXPUUKTGZ-ZYHUDNBSSA-N 359.239 2.566 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2OC(=O)N(CCc3cccc(Cl)c3)[C@@H]2C1 248008853 FLTHBOIQQZINIY-SJORKVTESA-N 360.845 2.619 0 50 FFAA NC(=O)Cc1occc1C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 376103085 OIKGXIDWNMZAPO-NSHDSACASA-N 369.204 2.868 0 50 FFAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ncc(Br)s1)[C@H]1C=C[C@H]2CC1 333521043 KQRGSIJBXIMONX-OSTYVCCYSA-N 353.241 2.603 0 50 FFAA O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1(C(=O)O)CCCCC1 2325726772 KRZYZJYLZKOTEX-UHFFFAOYSA-N 367.829 2.948 0 50 FFAA COc1ccc(CC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c(Cl)c1 2325739316 LISAIQMKOCGMQC-KCXAZCMYSA-N 350.846 2.536 0 50 FFAA CCN(Cc1cccc(C(N)=O)c1)C(=O)c1ccc2c(=O)ccoc2c1 2325748872 DHJDMEXIQWAFMP-UHFFFAOYSA-N 350.374 2.554 0 50 FFAA C[C@H]1CN(C(=O)c2cnc3ncnc(O)c3c2)CC[C@H](c2ccccc2)O1 2325800893 LJZVTMIVIQLASG-SUMWQHHRSA-N 364.405 2.723 0 50 FFAA COc1ccc([C@H](NC(=O)c2nccc3ccsc23)C(=O)O)cc1F 2325865734 OIYNRHOTYROCJI-ZDUSSCGKSA-N 360.366 3.000 0 50 FFAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OC)c(Br)c1 626761 WEBFFEVDYYZRSL-CYBMUJFWSA-N 369.215 2.601 0 50 FFAA Cn1nc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)c2ccccc2c1=O 1114355 IXGAAIMIQGJJAI-MRXNPFEDSA-N 363.417 2.509 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1 1189679 OMIHQFLPDVJCSL-UHFFFAOYSA-N 360.435 2.500 0 50 FFAA O=C(c1ccc(N2CCC[C@]3(CCc4c[nH]nc43)C2)nc1)N1CCCCC1 2356158681 VDNJRXCLWKSAFT-NRFANRHFSA-N 365.481 2.915 0 50 FFAA CC(C)c1cc(CN(C)C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)no1 102536726 UDDPKXFHUVSFRG-UHFFFAOYSA-N 362.361 2.932 0 50 FFAA CC(=O)Oc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 8908102 HSOJETYXBMAVSG-UHFFFAOYSA-N 352.346 2.518 0 50 FFAA CC(C)CN(Cc1ccsc1)C(=O)c1cnc(N2CCOCC2)nc1 65500449 PYDKUPWFGRPABP-UHFFFAOYSA-N 360.483 2.673 0 50 FFAA Cc1cc2ncn(Cc3cc(C(=O)N(C)Cc4ccno4)n[nH]3)c2cc1C 67674479 VWYCWNWFEPNOGQ-UHFFFAOYSA-N 364.409 2.685 0 50 FFAA NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1 20256064 OCFDQVYULNBYEH-LJQANCHMSA-N 357.498 2.933 0 50 FFAA CSCC[C@H]1c2nc[nH]c2CCN1Cc1ccc(-n2cncn2)cc1 67458522 ORWLTFALEASJCJ-KRWDZBQOSA-N 354.483 2.843 0 50 FFAA CC(C)c1cccc(-n2cc(O)c(C(=O)NC[C@@H]3CCCC[C@@H]3O)n2)c1 469699475 GDTUGMMJISURGX-RDJZCZTQSA-N 357.454 2.982 0 50 FFAA Cc1nn(C)c(C)c1CN(C)[C@@H]1CCc2c(c(C(=O)O)nn2CC(C)C)C1 67840068 OZVBZECPHVSLNH-OAHLLOKOSA-N 373.501 2.577 0 50 FFAA CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)CCSC)CC1 12386906 NADWVBUUDGIFOV-HNNXBMFYSA-N 357.516 2.871 0 50 FFAA O=C(CN1CCCCC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67804171 KCLPUPWDIWQKSW-UHFFFAOYSA-N 367.449 2.661 0 50 FFAA C[C@H]1CCc2onc(C(=O)NCCCn3cc(Br)cn3)c2C1 2805584 SRKVMOHDNSCGLM-JTQLQIEISA-N 367.247 2.579 0 50 FFAA CCCN(CC)C[C@@H](C)NC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 253431592 HRGZCRVAXYYDST-BRWVUGGUSA-N 362.518 2.545 0 50 FFAA Cn1ncc2c(NCCCOc3cccnc3)nc(-c3ccncc3)nc21 72423440 KFWBLIGWNVQRQK-UHFFFAOYSA-N 361.409 2.701 0 50 FFAA Cc1nonc1CN(C)C(=O)CCc1nnc(CCCc2ccccc2)o1 12596950 GCCJWNNJHAEERA-UHFFFAOYSA-N 369.425 2.528 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N3CC[C@@H](c4ccc(F)cc4)C3)cc2)n1 77427714 KAEHZMZSNPMHPZ-MRXNPFEDSA-N 351.385 2.646 0 50 FFAA CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC[C@H](Oc2ccccn2)C1 370547645 RBFQYKKVTNDXGX-HNNXBMFYSA-N 374.462 2.557 0 50 FFAA c1cncc(CN(Cc2noc(-c3ccco3)n2)[C@H]2CN3CCC2CC3)c1 72154963 UVKHMYIDRATBSH-KRWDZBQOSA-N 365.437 2.821 0 50 FFAA CCc1nc(CN2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)no1 77344208 SVQBMKXRVWSZEW-UHFFFAOYSA-N 370.453 2.662 0 50 FFAA Cc1ccc(-n2nc(C(=O)N[C@H](C(=O)O)C(C)C)c3c2CCC3)c(C)c1 236781659 VBDJIIOKOLYPJG-KRWDZBQOSA-N 355.438 2.817 0 50 FFAA O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1CCC12CCC(CO)CC2 372504437 MTAPQTSTQQEZHI-MNQCNDSGSA-N 371.399 2.762 0 50 FFAA CCOC1CC(CN[C@@H](c2cccnc2)C2CCC2)(N2CCOCC2)C1 373594754 OUYAMJSBSYVTCA-NYLDSWQDSA-N 359.514 2.782 0 50 FFAA O=C(N[C@H](CC(F)F)C(=O)O)c1cncc(-c2ccc3c(c2)CCO3)c1 263082310 SBPTZCMLMJWTOL-CQSZACIVSA-N 362.332 2.522 0 50 FFAA CCn1cc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)c(C)n1 72462940 RBSRNCRRNQEMFI-UHFFFAOYSA-N 354.498 2.991 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)N1CC[C@@H](c2ccccc2Cl)C1 72418767 AYQIGNDSHNBWBB-OAHLLOKOSA-N 372.900 2.979 0 50 FFAA O=C(NCCC12CCCN1CCC2)c1ccc(C[C@H]2CCCNC2)cc1 72173700 YADARAWGPOTJLI-LJQANCHMSA-N 355.526 2.977 0 50 FFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(F)F)C(=O)O 262440486 GTHZMSJIQDYKPT-HZGVNTEJSA-N 356.152 2.985 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(C)cc3C)ccc12 71384772 SAQCWSFFXZMRGI-UHFFFAOYSA-N 362.389 2.745 0 50 FFAA Cn1nnc2c1C[C@H](C(=O)Nc1nc3ccccc3n1-c1ccccc1)CC2 377729429 VNFSVKRPPVWGNO-CQSZACIVSA-N 372.432 2.898 0 50 FFAA CC(C)[C@@](C)(CO)NC(=O)NCC1CCN(Cc2cccs2)CC1 378045759 BVAXAMGXEHBRON-GOSISDBHSA-N 353.532 2.666 0 50 FFAA CCc1nc(N)sc1C(=O)N1CC[C@H](c2cc(OC)ccc2OC)C1 77285599 MICSZVNERHHCRY-NSHDSACASA-N 361.467 2.935 0 50 FFAA CON(C)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 174941058 POQNGQSAYPASRL-UHFFFAOYSA-N 374.404 2.570 0 50 FFAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCc1cccc2cccnc12 286680952 HGYNPLWMNAJKLR-CEXWTWQISA-N 369.465 2.960 0 50 FFAA O=C(O)c1cnc(C(=O)NCCc2nc(C3CCCCC3)cs2)cn1 263258332 IZTSEOOAIQJIOC-UHFFFAOYSA-N 360.439 2.652 0 50 FFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 175887938 OOVBQDVDIBXDIT-DOTOQJQBSA-N 357.433 2.835 0 50 FFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc2n(n1)CCNC2 82099823 IIFQNQINIUARSR-UHFFFAOYSA-N 371.828 2.533 0 50 FFAA Cc1c(C(=O)N2CCOc3ncccc32)nnn1-c1cccc2ncccc12 177235758 FXAXQWOBCFPDBN-UHFFFAOYSA-N 372.388 2.558 0 50 FFAA C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)c1cccc(Cl)c1 289151552 ZONBXJVIHHHBBS-LLVKDONJSA-N 367.858 2.728 0 50 FFAA Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)nn1 263444167 QKSLKEILNKJXIC-CQSZACIVSA-N 360.389 2.574 0 50 FFAA Cc1noc(CCC(=O)N2CCc3cc(Br)cc(F)c32)n1 178153712 PEQZLAZQXSWPTP-UHFFFAOYSA-N 354.179 2.802 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1 222869235 ZOTNBPJNRSTQRA-RTBURBONSA-N 365.433 2.767 0 50 FFAA O=C1COc2c(cccc2NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)N1 290646719 QMGKJYWPJHZGFX-MRXNPFEDSA-N 365.433 2.868 0 50 FFAA Cc1cc(CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)ccc1F 82087329 YNBKPNKTYJLETO-UHFFFAOYSA-N 359.449 2.508 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(CCO)cc3)c2)C1 426503111 HKRLCWFJRUFFMF-OAQYLSRUSA-N 366.461 2.629 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(-c3ccccc3)on2)on1 82125292 BJEGETCKQIRRSO-PBHICJAKSA-N 353.378 2.626 0 50 FFAA CCn1cc(CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)c(C)n1 426442763 XELGSBZQDDLQRM-UHFFFAOYSA-N 353.426 2.786 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)NC[C@H]3CNCCO3)cc2)c1 426550449 MQPNPBYUDHUUPU-LJQANCHMSA-N 352.434 2.665 0 50 FFAA C[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)[C@@H]1OCCc2sccc21 294041125 FQRODOBQJGESPI-WRSAYESZSA-N 374.462 2.743 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)Cc2csc(C)n2)C3)cc1 96131359 PQHZOBMQHKCXRR-UHFFFAOYSA-N 368.462 2.978 0 50 FFAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1n[nH]c2c1COCC2 97641934 DQRHPPYKDVDJJM-QGZVFWFLSA-N 374.872 2.703 0 50 FFAA C[C@@]1(C(=O)O)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 142211514 ABVVGJKUNYOPGP-SFHVURJKSA-N 367.413 2.517 0 50 FFAA O=C(c1cccnc1)N1CCC(NC[C@H]2COc3ccccc3C2)CC1 91876813 POJCIRZALXMKSF-INIZCTEOSA-N 351.450 2.527 0 50 FFAA CCOc1ncccc1CNC(=O)Nc1cccc(N2CCN(C)C2=O)c1 95505510 MPNWGYZPKFYWHY-UHFFFAOYSA-N 369.425 2.674 0 50 FFAA CC[C@@H](NC(=O)c1cccc2nccnc12)c1ccc(S(C)(=O)=O)cc1 97259373 LZGLEVIDNAHVRG-MRXNPFEDSA-N 369.446 2.914 0 50 FFAA CCc1cccc(OC2CN(C(=O)C3CCN(C(=O)C4CCC4)CC3)C2)c1 95355347 WLJKWYIXXZEBIR-UHFFFAOYSA-N 370.493 2.877 0 50 FFAA COC(=O)C[C@@H]1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)C1 96166839 YFZRKZOEFDAVJA-AWEZNQCLSA-N 353.422 2.658 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 91254714 YURBBLUPDWIVBL-KRWDZBQOSA-N 360.502 2.586 0 50 FFAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)c1ccon1 97076422 VWSOKKIGWRZDBT-GOSISDBHSA-N 374.404 2.820 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc(=O)[nH]c2ccccc12 91451912 FYCWRRNINPUSHM-UHFFFAOYSA-N 350.403 2.805 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2cccc(F)c2F)C1 91289144 BAXVZYVKPMPKLA-OAHLLOKOSA-N 372.423 2.718 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)no1 97609969 KIGJZBYJWFBJTC-INIZCTEOSA-N 357.410 2.762 0 50 FFAA CN(Cc1ccccc1)C(=O)N1CCC[C@H](c2nn(C)cc2C(=O)O)C1 297053393 VRAVLRSASWNRHP-HNNXBMFYSA-N 356.426 2.550 0 50 FFAA CCCOc1ccc(-c2nc3sc(=Cc4cccnc4)c(=O)n3n2)cc1 254578243 XAJIRDGJTSMFST-UHFFFAOYSA-N 364.430 2.550 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(Cn2ccnc2)o1 253378468 GJOMTGWHQIZZCA-AHIWAGSCSA-N 357.435 2.828 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1nc(C2CCCC2)no1 299744582 PHFMUJDIPFZISY-ILXRZTDVSA-N 361.442 2.904 0 50 FFAA c1ccc(CN2CCC[C@@H](CN3CCN(c4cnccn4)CC3)C2)cc1 252509799 YVYXXUSVPDHZGE-FQEVSTJZSA-N 351.498 2.511 0 50 FFAA CC(C)Cc1cc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)nc(O)n1 299771554 UBSHCAKCJIXLMA-UHFFFAOYSA-N 355.442 2.624 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2ncccn2)c1 299776397 BCRWYASJXKCHAK-KRWDZBQOSA-N 352.438 2.617 0 50 FFAA CCn1nc(COc2ccc(OC)cc2)nc1[C@@H](N)Cc1ccc(O)cc1 824684116 SNQBAYZKNXNOBC-SFHVURJKSA-N 368.437 2.834 0 50 FFAA O=C(NC1(C(=O)O)CCCC1)N1CCC([C@@H](O)CCc2ccccc2)CC1 670448731 KUGJDGMIUKELKI-SFHVURJKSA-N 374.481 2.799 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(CC(F)F)C1 868224786 HMMABPMZEIENBY-RCJHGTSTSA-N 358.473 2.896 0 50 FFAA Cc1ccc(C(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)cc1C(F)(F)F 1875400447 AJHLMPDQTZUEON-APHBMKBZSA-N 367.371 2.780 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@H]2CCCc3occc32)[C@H]1c1nccn1C 952852875 NHHNDJPIPXVPJD-ALKREAHSSA-N 356.470 2.980 0 50 FFAA CCCN1C[C@@H](c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)CC1=O 1875266198 CQQCGWFYCDJPOU-QWRGUYRKSA-N 350.806 2.984 0 50 FFAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1 952972256 ZNENPGDMASYWDF-IBGZPJMESA-N 372.444 2.567 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)CC3=CCCCC3)C2)ccn1 886095507 YLJPFAKRQBQEHA-IBGZPJMESA-N 357.454 2.588 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2OCC2CC2)CS1(=O)=O 888101936 RAYYRINXHKOCPJ-RISCZKNCSA-N 370.446 2.702 0 50 FFAA C[C@H](c1nccs1)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 185664109 YBDCGLHFXYRSQM-CQSZACIVSA-N 373.478 2.823 0 50 FFAA CCOc1ccc(OC)cc1NC(=O)N1CCN(c2ccnc(C)n2)CC1 273699752 MQGYDWXBGHWCBS-UHFFFAOYSA-N 371.441 2.546 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278379037 IYIBAHLJOCJJJJ-JTQLQIEISA-N 354.332 2.852 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)NCCc1ccc2c(c1)CCO2 172075432 MGEFGLVVRYDVHS-UHFFFAOYSA-N 368.462 2.759 0 50 FFAA Cn1nccc1CCC(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1 1506400762 OYOSFOUCBMKHRB-GOSISDBHSA-N 353.466 2.793 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(CCC(C)C)C2CC2)OCC(=O)N1C 1529112288 JJIWMEDMXKWGPH-UXHICEINSA-N 358.482 2.930 0 50 FFAA COc1cccc(-c2nc3c(c(SCC(N)=O)n2)COC(C)(C)C3)c1 5325231 NBLDGWIZTVVICO-UHFFFAOYSA-N 359.451 2.581 0 50 FFAA O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1)c1cnccn1 11976292 UKZMMDHGDYTQRC-NRFANRHFSA-N 374.444 2.842 0 50 FFAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)n1 12301785 WOXJSOADXKXCCS-MRXNPFEDSA-N 355.413 2.584 0 50 FFAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC(C(=O)N2CCCC2)CC1 19744039 XKNPKJRJEYVGOA-UHFFFAOYSA-N 358.467 2.613 0 50 FFAA NC1CCN(C(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CC1 1857672761 GKKNSXGPGGXJIY-GFCCVEGCSA-N 362.861 2.647 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)C3(N)CCCC3)C1)CC2 1857696492 CWDOUPFQMNZVRT-FQEVSTJZSA-N 372.513 2.558 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)on1 1857737667 YCIOXTUIWNWVHG-HXUWFJFHSA-N 368.437 2.730 0 50 FFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 237189199 ZXGMYVDDVKWJBH-RYUDHWBXSA-N 373.266 2.814 0 50 FFAA COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]1COCCN1C 330619495 ZBQORTWAVSCSMD-HOTGVXAUSA-N 354.878 2.883 0 50 FFAA C[C@@]1(O)CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1 133633846 PEBWONXEHWAZGW-HNAYVOBHSA-N 364.873 2.566 0 50 FFAA Cn1c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)nc2ccccc21 248048771 QIAVXVJRARECNC-CVEARBPZSA-N 368.481 2.618 0 50 FFAA NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)C1 363385659 CBNFKYONAWUPPH-CHWSQXEVSA-N 367.852 2.803 0 50 FFAA CCOC(=O)CCCCN1CCOC[C@@H]1c1nc(-c2ccccc2)no1 375705435 GCXPNRNRCBLPSA-MRXNPFEDSA-N 359.426 2.843 0 50 FFAA CN1CCN(c2cc(C(=O)N3CCc4c(Cl)cccc43)ccn2)CC1 161490756 JZJINUKCSGOZEA-UHFFFAOYSA-N 356.857 2.690 0 50 FFAA C[C@]1(C(=O)O)CCN([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 263572494 LACVMNHJMVXEIX-CJNGLKHVSA-N 357.237 2.895 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cn2)C[C@H](C)O1 836717993 SDOOZYPGDZDFLE-STQMWFEESA-N 355.394 2.646 0 50 FFAA Cc1ccc2ncc(C(=O)NC(C)(C)c3noc(CN(C)C)n3)cc2c1 2325776170 YNCKBRYDWWGMOI-UHFFFAOYSA-N 353.426 2.653 0 50 FFAA Cc1cc(CN2CC[C@H](C(=O)O)[C@@H](c3ccccc3)C2)nc(N(C)C)n1 2325796566 YQYWJVSFOBUPJY-ZWKOTPCHSA-N 354.454 2.541 0 50 FFAA O=C(NCc1ccc2ccccc2c1F)c1csc(N2CCNCC2)n1 2325856634 XMEGCGPTEYVIKP-UHFFFAOYSA-N 370.453 2.775 0 50 FFAA COC1CC2(CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)C1 2325891062 OHNDOOCAMCLLDP-UHFFFAOYSA-N 365.282 2.968 0 50 FFAA CCN1CCN(c2ccc(CN[C@@H](C)c3cn4c(n3)CCCC4)cn2)CC1 924689851 LMXIHUPCDDIURQ-KRWDZBQOSA-N 368.529 2.607 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1148024 IFDVETALYSEKFQ-UHFFFAOYSA-N 355.799 2.693 0 50 FFAA Cc1cccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c1C 1151020 MSMKRDRGWXOYNN-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1 2853669 SKFYOGQYWJYXHM-UHFFFAOYSA-N 367.496 2.824 0 50 FFAA Nc1ncccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356149340 VVCJBRHRRXWTFC-OAQYLSRUSA-N 350.466 2.821 0 50 FFAA C[C@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1ccccc1 6698919 NXPTWWFNOLQFDI-ZDUSSCGKSA-N 353.451 2.847 0 50 FFAA COc1cccc2sc(NC(=O)c3cn(C)nc3[C@H]3CCCNC3)nc12 422933593 BKSLXRSGFLYKAS-NSHDSACASA-N 371.466 2.758 0 50 FFAA CC(C)CCN1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1CCO 104336718 UQPSBRDBYWLPSY-OAQYLSRUSA-N 356.514 2.787 0 50 FFAA Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3N3CCCN23)cc1 100660645 SVZPHXFGEWCRMT-AQNXPRMDSA-N 361.445 2.839 0 50 FFAA CN1CC[C@@H](O)[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 20201825 NLJZXKUGBFALSU-GUDVDZBRSA-N 358.869 2.858 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc2[nH]nnc2c1 20539161 KKOXJKNYQFMCSW-UHFFFAOYSA-N 350.357 2.555 0 50 FFAA CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1cccc2ccccc12 23153253 KJFSFOLOYMHUQK-IBGZPJMESA-N 367.493 2.693 0 50 FFAA O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1Cc2ccccc2C1 54263570 BDEPVSWIIHNIOQ-UHFFFAOYSA-N 369.896 2.746 0 50 FFAA CC(C)[C@@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nccn1C 67642598 PACZECMDPHDOAA-QGZVFWFLSA-N 353.426 2.849 0 50 FFAA CCCn1c(-n2cc(C3=CCN(CC(=O)O)CC3)cn2)nc2ccccc21 67974809 HPMDAHAKUFPRGO-UHFFFAOYSA-N 365.437 2.806 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)c1C 67981965 SNXOGJNTCTYOOJ-UHFFFAOYSA-N 371.485 2.955 0 50 FFAA Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(CC(C)C)no1)C2 71499089 LRMTZRYJZROWEU-UHFFFAOYSA-N 369.469 2.770 0 50 FFAA CC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)C1 229713286 NHAODHSUILKMQI-UTKZUKDTSA-N 371.525 2.793 0 50 FFAA CN1CCN(CCCNC(=O)c2sc3ccccc3c2Cl)CC1 20064350 QHCUBEIVTFRVQD-UHFFFAOYSA-N 351.903 2.922 0 50 FFAA C[C@H]1CN(c2ccc(NC(=S)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1 252586189 OBFFNHVNYWWYJE-VNHYZAJKSA-N 367.490 2.905 0 50 FFAA CN1CCC2(CC1)CN(Cc1ccccc1Cn1cccn1)CCCN2C 67672915 FTYFTJPHIDJPTQ-UHFFFAOYSA-N 367.541 2.533 0 50 FFAA CCCN1CCN(Cc2cccc(C(=O)Nc3c(C)cnn3C)c2)CC1 65408180 OXTBCFFLQZAUPW-UHFFFAOYSA-N 355.486 2.508 0 50 FFAA COc1cc2nc(CN3Cc4ccccc4C[C@H]3C)[nH]c(=O)c2cc1OC 172911410 HGWGOXHKIUZGKD-CYBMUJFWSA-N 365.433 2.887 0 50 FFAA Cc1ccc2n1CCN(C(=O)CCc1nc3ccccc3[nH]c1=O)[C@H]2C 65394782 HGBUWYZDCULFCJ-AWEZNQCLSA-N 350.422 2.569 0 50 FFAA CC(C)n1ccc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)n1 172925747 YJEWQSXNVSTFEL-UHFFFAOYSA-N 374.510 2.811 0 50 FFAA Cc1nn(Cn2cc(NC(=O)c3ccc4c(c3)OCO4)cn2)c(C)c1Cl 2800475 BOUOGOFRCAPAEW-UHFFFAOYSA-N 373.800 2.837 0 50 FFAA CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)CCSC)CC1 12386907 NADWVBUUDGIFOV-OAHLLOKOSA-N 357.516 2.871 0 50 FFAA OC[C@H]1CCCCN1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 71750428 BKOJKIZBGOQLEI-CYBMUJFWSA-N 363.845 2.779 0 50 FFAA Cc1ccccc1O[C@@H](C(=O)N1CCC2(CC1)CN(C)C(=O)O2)C(C)C 77459516 XRQZKMMTPARNHH-QGZVFWFLSA-N 360.454 2.842 0 50 FFAA COc1ccccc1C1(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 487563697 IDFGLGUZRPNLIS-INIZCTEOSA-N 368.408 2.788 0 50 FFAA CC(C)(C)ONC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 156022786 CXSNVUGMDVUCLA-INIZCTEOSA-N 356.422 2.996 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(C)nn3CC)C2)CCC1=O 77469831 PNQIBNXNRWWYSI-FQEVSTJZSA-N 360.502 2.856 0 50 FFAA Cc1nn2c(CN3CC[C@@H](n4cnc5c4CCCC5)C3)c(C)nc2s1 333415988 HSBBRRJKGFHNET-CQSZACIVSA-N 356.499 2.930 0 50 FFAA COCCC[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1OC 77342059 FJLDHIOEXNBWPT-CQSZACIVSA-N 357.472 2.674 0 50 FFAA CCN(CC)C(=O)N1CCCn2nc(CN(C)Cc3ccoc3)cc2C1 72422740 UJAGIFGGKPRSMK-UHFFFAOYSA-N 359.474 2.776 0 50 FFAA Cc1cc2[nH]c(CN3CCO[C@H](c4ccc(Cl)cc4)C3)cc(=O)n2n1 71754116 QUWOKKUKZDXCPE-INIZCTEOSA-N 358.829 2.558 0 50 FFAA Cn1c(CN2CCCCC2)nnc1C1CCN(Cc2ccncc2)CC1 77356266 MAJIQYYPSMRKDH-UHFFFAOYSA-N 354.502 2.576 0 50 FFAA COCCN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12 71662175 UDWHVWKCJXXZMI-UHFFFAOYSA-N 366.465 2.685 0 50 FFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)cn1 377544447 PVQRWELOQHWHHR-SCLBCKFNSA-N 354.410 2.562 0 50 FFAA Cc1c(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c2cccc3c2n1CCC3 72424256 DHBUTBCSYSAEKH-QGZVFWFLSA-N 367.493 2.812 0 50 FFAA O=C1NC[C@@]2(CCCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)C2)O1 215355036 JDDQLQLBBOMMJY-HXUWFJFHSA-N 353.422 2.761 0 50 FFAA COc1ccc([C@@H]2CN(c3nccnc3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72157085 HBDKXRKRBPVYEF-XUVXKRRUSA-N 350.466 2.860 0 50 FFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@]12CCOc1ccccc12 263361376 UJSQAFBNLUMUSP-SVMVAKDDSA-N 363.413 2.765 0 50 FFAA CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)s1 82091738 BLBKUAQNNBPJKD-OAHLLOKOSA-N 350.484 2.668 0 50 FFAA Cc1sc2nc(CCNC(=O)c3cccc(N(C)C)c3)[nH]c(=O)c2c1C 223779224 JFHKFLCUSQSKOU-UHFFFAOYSA-N 370.478 2.640 0 50 FFAA O=C(c1ccc(-c2cnccn2)cc1)N1CCCN(Cc2ccccn2)CC1 426429102 UFMJPCYHMKEUIT-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA C[C@H]1CN(C(=O)NCc2cn(C)nc2C(F)(F)F)Cc2ccccc2O1 292158736 CKNPAHRIJFZULC-NSHDSACASA-N 368.359 2.932 0 50 FFAA COCCCN(Cc1ccc(F)cc1)C(=O)NC[C@@]1(C)CCN(C)C1 426503190 LXLMPSJNAKVIAU-LJQANCHMSA-N 351.466 2.716 0 50 FFAA O=C(Nc1cnc(-c2ccccc2)nc1)N[C@H]1CCN(c2ccccn2)C1 179155738 FFDSABYZJXRIGH-INIZCTEOSA-N 360.421 2.939 0 50 FFAA CN(CCc1ccccn1)C(=O)NCC1(N2CCOCC2)CCCCCC1 426500319 SJHCLHRKYVHDJP-UHFFFAOYSA-N 374.529 2.691 0 50 FFAA OC[C@H]1CN(Cc2ccccc2-c2ccccc2)C[C@H]1CN1CCOCC1 91603889 TULZAGFSGJSIMG-FGZHOGPDSA-N 366.505 2.726 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(N3CCOCC3)c2)C1 91932649 XXOOJRWHKILBQJ-SFHVURJKSA-N 368.481 2.759 0 50 FFAA CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 239025462 BRAYONMLLDRORF-DRMAHVMPSA-N 361.825 2.826 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 95386064 KBAUIOPYNGSFAO-AWEZNQCLSA-N 361.446 2.712 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 97775584 QMMPZKGKGQABBJ-UHFFFAOYSA-N 359.792 2.752 0 50 FFAA COc1cc2c(cc1CN1C[C@@H](C(=O)O)[C@H](c3ccccc3)C1)OCCO2 91846347 ANGOPSYWZWLFIO-DLBZAZTESA-N 369.417 2.767 0 50 FFAA CN1Cc2ccccc2C[C@H]1C(=O)N1CCC(CCn2cccn2)CC1 95372504 FYRHQSNRRWMQMW-FQEVSTJZSA-N 352.482 2.569 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CSCc2ccccc2C)on1 96132804 LMIHOEJLFCZSDD-AEFFLSMTSA-N 360.479 2.899 0 50 FFAA CN(C)CCCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccco2)C1 95386198 BYCUUQIAKTXRRK-INIZCTEOSA-N 359.474 2.517 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCCn2ccnc2CC)cc1Cl 95500472 NHSXJKOKZVHIHY-UHFFFAOYSA-N 363.849 2.670 0 50 FFAA C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(C)CC1 182772082 NAZBVRKULPQVDY-GOEBONIOSA-N 358.511 2.596 0 50 FFAA O=C(c1ccccc1OC(F)F)N1CCS(=O)(=O)c2ccccc2C1 185033879 UUXUYGIQTFKFDK-UHFFFAOYSA-N 367.373 2.718 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccs4)c3CO2)cc1 263619187 XJLRRFJTKRAHQB-INIZCTEOSA-N 370.434 2.550 0 50 FFAA O=C(Nc1ccccc1OCc1ccccn1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 299786205 UGWTUWLZGQSQNT-QWHZDKJVSA-N 353.422 2.895 0 50 FFAA Cc1ccc2nc(CCCNC(=O)c3cc4n(n3)CCCN(C)C4)oc2c1 65406474 XAUYZIYOBAAGIE-UHFFFAOYSA-N 367.453 2.531 0 50 FFAA O=C(Nc1ccnn1Cc1ccccc1Cl)N1CCN2CCC[C@@H]2C1 299787820 RCGBJJGNCOJIEZ-OAHLLOKOSA-N 359.861 2.897 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)N[C@H](C)Cc1cc(C)n[nH]1 299780746 CMGAHSGUQPMFMS-CYBMUJFWSA-N 368.441 2.724 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)Cc1nccn1CC(F)(F)F 270733576 VHHZOHCEGXYQCN-JTQLQIEISA-N 357.380 2.938 0 50 FFAA CC1CC(C(=O)N2CC[C@H]3CCC[C@@H](C2)N3c2ncnn3cccc23)C1 1875405010 KCQSPGWZUCLOEQ-BACDZXNISA-N 353.470 2.735 0 50 FFAA C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 1875255990 OMMPXLSQSSMMJY-WMLDXEAASA-N 370.415 2.960 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]c(C)c4C3)C2)c1 1875293069 BGKDEQOCZYSUOI-HUUCEWRRSA-N 369.465 2.856 0 50 FFAA CCCCN1CC[C@@H](CNC(=O)c2ncccc2OCC(F)(F)F)C1 1875330472 YQDQBHMJWMGDDP-ZDUSSCGKSA-N 359.392 2.875 0 50 FFAA CCOc1ccccc1CC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565531303 HMECPNGXWZKTHC-APWZRJJASA-N 370.493 2.877 0 50 FFAA COc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)ccc1F 1565511568 QURQTQSTOWWZBM-CJNGLKHVSA-N 360.429 2.697 0 50 FFAA O=S(=O)(NC[C@H](O)c1cccc2ccccc12)c1cccnc1Cl 1464051993 CZOHNZQDIVFPRO-HNNXBMFYSA-N 362.838 2.900 0 50 FFAA Cc1noc(CCCNC(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)n1 272846196 SXGDOXGWQRANOR-OAHLLOKOSA-N 360.462 2.977 0 50 FFAA C[C@@H](CC(=O)N1CCc2n[nH]c(=O)cc2C1)c1cccc(C(F)(F)F)c1 274836944 DNOTXJCFAPVMSL-NSHDSACASA-N 365.355 2.867 0 50 FFAA COc1ccccc1COC[C@H](O)CN1CC[C@]2(C1)OCc1ccccc12 186675088 WQZIDBPGWUSMEC-DENIHFKCSA-N 369.461 2.704 0 50 FFAA CC(C)n1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cn1 170644087 JNAKTXGBPZKOFX-UHFFFAOYSA-N 351.428 2.627 0 50 FFAA CCc1cc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n2ncnc2n1 302167201 LDKBVPGEWMNUMT-GFCCVEGCSA-N 365.363 2.744 0 50 FFAA O=C(Cc1noc(-c2c[nH]nc2-c2cccnc2)n1)NC1CCCCC1 225630494 AHQFFKVWNVMUJR-UHFFFAOYSA-N 352.398 2.513 0 50 FFAA Cc1noc2ncnc(NC[C@@H](c3cccc(F)c3)N3CCOCC3)c12 193391939 VWSRQKFFJLLGLD-HNNXBMFYSA-N 357.389 2.551 0 50 FFAA Cc1ccccc1CN(CC(=O)N1C[C@H](C)O[C@H](C)C1)C[C@H]1CCCO1 1506407629 PMHBBQIVVRUCAW-WSTZPKSXSA-N 360.498 2.612 0 50 FFAA Cc1cnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)nc1N(C)C 1704344348 LJYSRGFQGMZHSL-GOSISDBHSA-N 355.486 2.554 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(C2CCCCC2)CC1 1704352048 WJMSMPYFFXFDMN-TZIWHRDSSA-N 371.525 2.800 0 50 FFAA O=S(=O)(NC1CC1)c1ccc(OC(F)(F)F)cc1Br 16159035 DLYQRSNWDOGOQK-UHFFFAOYSA-N 360.151 2.788 0 50 FFAA in-vitro Cn1cccc1C(=O)N1CCCN(C(=O)c2cc3ccccc3o2)CC1 1772702878 FAKVPKNFXIBIPH-UHFFFAOYSA-N 351.406 2.760 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(Cc3cc(F)cc(F)c3)CC2)CCC1=O 1775983795 SPZKNZGGZRXQOR-MRXNPFEDSA-N 365.468 2.729 0 50 FFAA CSc1ccc(CC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 11662423 PTMUIBWRDLLSNO-QGZVFWFLSA-N 361.555 2.626 0 50 FFAA COc1cc(C)ccc1OCc1cc(C(=O)N(C)Cc2nonc2C)no1 12702082 GKXKAEYANWBHEP-UHFFFAOYSA-N 372.381 2.534 0 50 FFAA O=C1C[C@@H](NCc2ccccc2)C(=O)N1c1ccc(Br)cc1 19534893 IAHHEUFUUNGUID-OAHLLOKOSA-N 359.223 2.871 0 50 FFAA CN1CCc2nc3sc(C(=O)NCc4ccc(F)cc4)c(N)c3cc2C1 19853451 ARMCVFXGPZPNTG-UHFFFAOYSA-N 370.453 2.936 0 50 FFAA CC(=O)NCc1cc(O[C@@H]2CCN(CC=Cc3ccccc3)C2)ccn1 1857532935 OCGQOIJCKQYSPJ-OAQYLSRUSA-N 351.450 2.884 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc(CCN)cc1)CC2 1857701685 YNBAIAOVNXSHFB-UHFFFAOYSA-N 374.488 2.829 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N(C)CCCOc2ccc(Cl)cc2)C[C@H]1N 1857728653 KTUAADGDQMCGLO-IAOVAPTHSA-N 354.878 2.710 0 50 FFAA O=C(c1onc2ccccc12)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 210354946 JAUHQUKZKVUNRW-CJNGLKHVSA-N 366.373 2.547 0 50 FFAA CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 114107029 YZRZYAGYGQLABP-UHFFFAOYSA-N 370.434 2.906 0 50 FFAA FC(F)(F)CN1CC[C@H](c2nc(Cn3cnc4ccccc43)no2)C1 350260594 MAGDACCCFWBAEU-NSHDSACASA-N 351.332 2.819 0 50 FFAA CCCOc1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)c(C)c1 252483120 DVNFWBHGWRWCJG-KRWDZBQOSA-N 371.485 2.997 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC2(CCOCC2)O1 791073542 NJXRCNZOKYHAQY-GFCCVEGCSA-N 367.829 2.521 0 50 FFAA Cc1ccc(N2CCN(Cc3nnc([C@H]4CCCOC4)o3)CC2)cc1C 818691580 FSBFZCUAYWSDPA-KRWDZBQOSA-N 356.470 2.903 0 50 FFAA O=C(NCc1cccc(C(=O)O)c1)N[C@H]1CCCN(Cc2ccccc2)C1 312139651 FBJNRZGZGPXBLO-IBGZPJMESA-N 367.449 2.849 0 50 FFAA COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1F 1444504 JKNMZMPNDPSSBD-UHFFFAOYSA-N 359.386 2.541 0 50 FFAA FC(F)O[C@H]1CCC[C@@H](N=c2ccc3nnc(C(F)(F)F)n3[nH]2)C1 2325750678 XCZUMUYDRYMESL-SFYZADRCSA-N 351.279 2.527 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCN[C@H](c4ccccc4C)C3)cc2)n[nH]1 2325760702 ZBCSRSFXRPZHJF-IBGZPJMESA-N 361.449 2.875 0 50 FFAA COc1cc2ccccc2cc1CN[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 2325785733 LFMIELRXZGHQCA-CWFSZBLJSA-N 351.450 2.974 0 50 FFAA O=C(NCCn1cncc1-c1ccccc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1 2325811942 XSPKZVFHJWQNHG-AMBYYYRHSA-N 353.466 2.854 0 50 FFAA O=C(CCN1c2ccccc2Sc2ccccc21)N[C@@H]1CCNC1=O 855145652 LWURBOFGQCTRFG-CYBMUJFWSA-N 353.447 2.684 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccncc1 937634 CJTMTSCSGFZGCL-UHFFFAOYSA-N 359.451 2.945 0 50 FFAA CCN(CCO)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2430432 GLFNELBOYWHJTF-UHFFFAOYSA-N 358.467 2.909 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)cc2)c1 2868641 YWAQSXGITJDQBC-UHFFFAOYSA-N 357.362 2.586 0 50 FFAA O=C(CCN1CCCCCCC1)N1CCCN(Cc2ccncc2)CC1 55341029 KMINVIOXSVSYHZ-UHFFFAOYSA-N 358.530 2.772 0 50 FFAA Fc1ccccc1N1CCN([C@@H]2CCCN(CCCn3cccn3)C2)CC1 20535971 CGXQPXFZKNIWAM-LJQANCHMSA-N 371.504 2.699 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cc(Cl)ccc1Cl 9225478 PYZCUHUAMFBDKA-SCRDCRAPSA-N 356.253 2.721 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)o1 104468008 NXFZAUNRMKLIDJ-LJQANCHMSA-N 358.482 2.803 0 50 FFAA COc1ncccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67966405 YNBMLCSVYHLNME-UHFFFAOYSA-N 352.369 2.630 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1 10543317 AMOIXPQPFCSMBJ-UHFFFAOYSA-N 350.415 2.695 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(C)c(C)c2)cc(N2CCCC2)n1 67621062 HJEBCNZJIFBYJX-UHFFFAOYSA-N 353.470 2.844 0 50 FFAA COC[C@@H](C)NCc1cccnc1N1CCN(c2ccccc2C)CC1 67803026 IZMLLPJXCVUFDP-GOSISDBHSA-N 354.498 2.841 0 50 FFAA O=C1CC2(CCN(C(=O)CSC34CC5CC(CC(C5)C3)C4)CC2)CN1 65451536 VMHMNGKDPURBAT-UHFFFAOYSA-N 362.539 2.817 0 50 FFAA O=C(c1ccc(N2CC(O)C2)nc1)N1CCC[C@H](c2ccccc2)CC1 67726471 DEYIYJRFVNQHNF-KRWDZBQOSA-N 351.450 2.672 0 50 FFAA CC[C@@H]1c2nc[nH]c2CCN1Cc1ccc(OC)c(Cn2cncn2)c1 67640966 FMAKQFPPXNLXFE-QGZVFWFLSA-N 352.442 2.568 0 50 FFAA COCc1ncc(CN2CCCN(c3nc4ccccc4s3)CC2)cn1 67872825 QSORFFNKTMBRSE-UHFFFAOYSA-N 369.494 2.945 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N3CCCC[C@@H]3c3nc(O)n[nH]3)cc12 329481039 VRKPJVOFYMMDDC-LLVKDONJSA-N 374.470 2.949 0 50 FFAA C[C@@H]1CN(C(=O)c2ccccc2Br)C[C@@]2(CCO[C@@H]2C)O1 253430153 ICGPCSLCZPDJDQ-XHBSWPGZSA-N 354.244 2.858 0 50 FFAA Cc1ccn(-c2ccc(NCCNC(=O)Nc3cccc(C)c3C)nn2)n1 72446933 PYWXDAMFWCKOSG-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 329769230 HMYWPJCUHXQKTO-ZIAGYGMSSA-N 359.430 2.639 0 50 FFAA Cc1ccc2nc(SCC(=O)Nc3nonc3-n3cccc3)[nH]c2c1 5885183 ZLCKSOSZHLODRT-UHFFFAOYSA-N 354.395 2.776 0 50 FFAA C[C@@H]1CCCN(C(=O)C2CCN(c3ncnc4c3ncn4C3CC3)CC2)C1 330282751 VPWWZKNCDHFZPE-CQSZACIVSA-N 368.485 2.636 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)o1 72428858 QIQKYGLZQWEGTN-UHFFFAOYSA-N 367.449 2.946 0 50 FFAA Cc1nc(CN2CCC(CN[C@H]3CCCc4nn(C)cc43)CC2)oc1C 366418758 OUIUHJOJOMCFQO-SFHVURJKSA-N 357.502 2.904 0 50 FFAA CCCCc1nc(Cl)c(CN2CCNC(=O)[C@@H]2Cc2ccccc2)[nH]1 216147963 CWSRPKIMDSVEIO-INIZCTEOSA-N 360.889 2.949 0 50 FFAA CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)c3cnn4c3CCCC4)CC[C@H]21 72476210 XWZOCQZIHPBYQE-FUHWJXTLSA-N 372.513 2.719 0 50 FFAA Cc1ccc([C@@](C)(O)CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)o1 174488156 HJQRDQOCYLVNNY-FQEVSTJZSA-N 359.422 2.661 0 50 FFAA C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCCS4(=O)=O)cc3c2C1 154377373 ZPXWAPSJGABMSM-OCCSQVGLSA-N 360.479 2.600 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 363480306 CASSIZBSJJYEIY-ZDUSSCGKSA-N 370.438 2.536 0 50 FFAA NC(=O)CC[C@@H]1CCCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C1 77523362 MKEBVTDTZGMUTF-NSHDSACASA-N 356.392 2.856 0 50 FFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2c2nc(C(C)(C)NS(C)(=O)=O)no2)o1 365770026 RGSSEQIUKVGIAQ-WRWGMCAJSA-N 365.455 2.841 0 50 FFAA Cc1cc(Cn2ccnc2-c2cc3n(n2)CCNC3)c(C(F)(F)F)o1 72430249 AXCWUUZFVCSFAJ-UHFFFAOYSA-N 351.332 2.818 0 50 FFAA CN(C(=O)CCCc1cn[nH]c1)[C@@H]1CCCN(Cc2ccccc2F)C1 72154639 YDTAYVREGLEVJW-GOSISDBHSA-N 358.461 2.995 0 50 FFAA O=S(=O)(CCc1ccccc1)N1CCNC[C@@H]1c1cccc(Cl)c1 261685376 KFIDMLUNFUQKIO-GOSISDBHSA-N 364.898 2.859 0 50 FFAA Cc1nc(CN2CCOC[C@H]2CC(=O)Nc2ccc3c(c2)CCC3)co1 72436049 GZYWSJFXFRKSBK-LJQANCHMSA-N 355.438 2.701 0 50 FFAA O=C1O[C@@H]2CN(c3ccc4ccccc4n3)C[C@@H]2N1CCc1ccccn1 39398775 BWJPZCXWHXEXTR-RBUKOAKNSA-N 360.417 2.882 0 50 FFAA CC(C)=CCN1CCN(Cc2cc(C)cc(C)c2)[C@H]2CS(=O)(=O)C[C@H]21 72481553 NFGRIRSMOFMXJI-UXHICEINSA-N 362.539 2.553 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)CCn3ccnc3C)C2)CCC1=O 77354126 CRSUTDJBFRJMFV-FQEVSTJZSA-N 360.502 2.613 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)NCCN2CCC(O)CC2)cc1 218962676 WPDNZSCKCPKKDB-UHFFFAOYSA-N 352.478 2.772 0 50 FFAA CN1C(=O)[C@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21 72164142 LCGXUYLBDBOIHK-QFIPXVFZSA-N 366.461 2.568 0 50 FFAA O=C(CCn1ccccc1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 77288204 RXYMWHOKVHNLGB-UHFFFAOYSA-N 355.825 2.958 0 50 FFAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 263205106 ZAWKBQIDLVBQEO-KBXIAJHMSA-N 371.355 2.900 0 50 FFAA C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)Cc2ccccc2O1 455172328 XDAMVGTWBVDWKG-JTQLQIEISA-N 352.316 3.310 0 50 FFAA Cc1nn(C)c2ncnc(N[C@H]3CC(=O)N(c4ccccc4Cl)C3)c12 72436260 SBAWFMHLZZSIHA-NSHDSACASA-N 356.817 2.543 0 50 FFAA Cc1c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccn1 46355408 OZUNTLQGPMYPNL-SFHVURJKSA-N 366.396 2.929 0 50 FFAA CO[C@H](C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 193154806 HWUAQWBBMGQPID-KRWDZBQOSA-N 360.435 2.553 0 50 FFAA Cn1cc(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c2ccccc21 82137107 SOOQRPNKHNCUDG-QGZVFWFLSA-N 355.482 2.895 0 50 FFAA O=c1cc(N2CCCCC2)cnn1Cc1cnn(-c2ccccc2F)c1 19229146 NMUBSZBONLMPSB-UHFFFAOYSA-N 353.401 2.607 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2cc(Cl)ccc2O)CC1=O 82097161 CAQZSKCXDIDEIA-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA CCCc1cnc(C)nc1-c1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1 426465266 POFNOSDUPRWMID-CQSZACIVSA-N 364.453 2.815 0 50 FFAA CCc1nccn1CCC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 222416180 QCERSTWTLPOKCU-IBGZPJMESA-N 354.498 2.816 0 50 FFAA O=C(NC1Cc2ccccc2C1)N(Cc1ccncc1)C[C@@H]1CCCO1 426627699 METVMTGKBSEXHS-FQEVSTJZSA-N 351.450 2.940 0 50 FFAA COCc1cn(CC2CCN(Cc3c[nH]c4ccc(F)cc34)CC2)nn1 19838804 LRAZOAGWJOYWAD-UHFFFAOYSA-N 357.433 2.957 0 50 FFAA C[C@H](C1CCN(C(=O)c2cc(F)ccc2Cl)CC1)N1CCN(C)CC1 82097585 VRSYPXVIVYPTHD-CQSZACIVSA-N 367.896 2.967 0 50 FFAA COc1ccccc1CN1CCCn2nc(CCC(=O)NC3CC3)cc2C1 92066607 LSWIBEIOECIBNJ-UHFFFAOYSA-N 368.481 2.509 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCCC[C@@H]1c1ccco1 95383121 MIUAIKBWQDUQSZ-OAHLLOKOSA-N 353.378 2.567 0 50 FFAA Cc1ccc([C@H](C(=O)N2CCCN(Cc3ccncc3)CC2)N(C)C)cc1 95361557 KFGCYZWJSQVHED-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA CCc1ccnc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1 180165099 SWOFMLQJLPQEOI-INIZCTEOSA-N 352.438 2.838 0 50 FFAA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccncc3Cl)C2)CC1 95500227 RNPWOFLPJOLEEC-MRXNPFEDSA-N 364.921 2.501 0 50 FFAA COCC[C@]1(CO)CCCN(Cc2cc(OC)c(OC)cc2Cl)C1 91445000 UZPSCKUCRNKMHR-GOSISDBHSA-N 357.878 2.968 0 50 FFAA CCn1cc(NC(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)nn1 96162142 HPPNDKCHIDBUAY-UHFFFAOYSA-N 353.430 2.764 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91755700 FFDSMKRWCVWURS-HNNXBMFYSA-N 368.466 2.506 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1cnc(-c2cccnc2)nc1 91663933 VJMBVCXOAVOPMS-UHFFFAOYSA-N 372.388 2.861 0 50 FFAA COCCCn1cnnc1[C@H](C)NC(=O)c1[nH]c2ccc(C)cc2c1C 92028933 FZQBTWXTRWULKF-AWEZNQCLSA-N 355.442 2.904 0 50 FFAA Cc1cc(N2CCC(NCc3nccs3)CC2)nc(N2CCCC2)n1 95510427 CBGVGQUJCULMTM-UHFFFAOYSA-N 358.515 2.600 0 50 FFAA O=C1NCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)[C@H]1c1ccc(F)cc1 97785660 SVIHKRJOAIEBIU-SFHVURJKSA-N 364.380 2.529 0 50 FFAA COc1cc(C(=O)NCc2c(C)noc2C)ccc1OC1CCN(C)CC1 95528483 HTZVIYCKSNHOET-UHFFFAOYSA-N 373.453 2.703 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4=O)coc2c1C 95386949 YXNPVOYELURRGB-DOTOQJQBSA-N 354.450 2.980 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 91604387 VVVJXCHYRRGQMJ-OAHLLOKOSA-N 363.483 2.788 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)N1CC=C(c2ccc(F)cc2)CC1 91644268 MLYXEZLJKBMINM-UHFFFAOYSA-N 363.392 2.852 0 50 FFAA COc1coc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cc1=O 95378182 OGOZOBKNHDYIJO-UHFFFAOYSA-N 367.405 2.853 0 50 FFAA Cc1c(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)[nH]c2c(F)cccc12 244899391 ZIYIDNNGXCMAKO-CJBNDPTMSA-N 356.401 2.591 0 50 FFAA O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)C1 298714469 KRFVQAOJGJXXSC-UHOSZYNNSA-N 374.456 2.848 0 50 FFAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1ccnc2ccccc12 183782604 GIZCZCNSPRLAEQ-SFHVURJKSA-N 361.445 2.731 0 50 FFAA O=C(NCc1ccccc1F)c1nnn2c1CO[C@H](c1ccccc1)C2 263617009 LQGWIZFUJVBWSB-KRWDZBQOSA-N 352.369 2.619 0 50 FFAA C[C@@H](C(N)=O)n1cc(-c2cccc(C(=O)NCCCc3ccco3)c2)cn1 534637812 LPYYPTIEVODURJ-AWEZNQCLSA-N 366.421 2.552 0 50 FFAA Cc1ccc(CN2CCN(C(=O)N[C@@H](C)c3cccc(C)n3)CC2=O)cc1 534574445 HHDYKVVBKNDXNQ-KRWDZBQOSA-N 366.465 2.813 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 299790117 BQUUYDBCNJCWKS-MRXNPFEDSA-N 374.441 2.508 0 50 FFAA C[C@@H](N=c1[nH]c2c(F)cccc2n1C)C(=O)N1c2ccccc2C[C@H]1C 1875331292 CRHBCNARFBSKDV-CHWSQXEVSA-N 352.413 2.913 0 50 FFAA C=CC(=O)N1CCC(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)CC1 1875367633 YRGTUIYMDKBFPD-HSZRJFAPSA-N 354.859 2.748 0 50 FFAA CCc1cnc2ccccc2c1C(=O)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875402371 DTPYTUVOZOMADF-GDIGMMSISA-N 364.449 2.563 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3ccccn3)[nH]n2)c1 952987001 HWPYUAISVWPYDA-UHFFFAOYSA-N 365.393 2.617 0 50 FFAA N[C@@H](C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCO1 888093055 DPVHOALSHRZGLJ-IAGOWNOFSA-N 361.829 2.759 0 50 FFAA C[C@H]1C[C@H](CCNc2ccc(S(N)(=O)=O)cc2C(F)(F)F)CCO1 273165514 OCLDOQSFUMZZJP-WDEREUQCSA-N 366.405 2.970 0 50 FFAA COC(=O)[C@@H](CCOC(C)C)NC(=O)CCOc1ccc(Cl)cc1 170600567 LIVGTYZXHSQBCS-OAHLLOKOSA-N 357.834 2.582 0 50 FFAA CCc1ccc([C@@H]2CN(C(=O)NCC3([S@@](C)=O)CCC3)CCO2)cc1 281634852 VKRIEVISQOBELV-SSOJOUAXSA-N 364.511 2.633 0 50 FFAA C[C@H](O)C[C@H](C)CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 225474447 QKURYOUFOVUIJQ-UWVGGRQHSA-N 357.332 2.892 0 50 FFAA Cc1ccn2ncc(C(=O)Nc3ccc(O)cc3OC(F)(F)F)c2n1 225700440 IWMLSHIJDPLXEA-UHFFFAOYSA-N 352.272 2.894 0 50 FFAA COc1cnccc1[C@@H](C)NC(=O)N1CCc2cccc(OC)c2CC1 194576903 ULSGZUUJQDHBCE-CQSZACIVSA-N 355.438 2.970 0 50 FFAA CC[C@@H](C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC 788407072 ACLZYMMIZRRSMV-MNOVXSKESA-N 363.863 2.605 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)Cc3c(C)[nH]c4c(F)cccc34)C[C@@H]2O)on1 1529106543 PYKQIEURBVFTDP-ACJLOTCBSA-N 371.412 2.516 0 50 FFAA O=C(Nc1nc2c(F)cccc2s1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 1529191466 ZKCTVFPACRQEDO-LLVKDONJSA-N 370.409 2.818 0 50 FFAA Cc1cc(C(=O)N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c2cccc(C)c2n1 1529161226 CTMUSTKIMWWTAW-BEFAXECRSA-N 364.449 2.559 0 50 FFAA Cn1ccc(C2CCN([C@@H]3CCN(c4ccc(F)cc4)C3)CC2)cc1=O 1772808990 HYVZPISZHSCFFH-HXUWFJFHSA-N 355.457 2.983 0 50 FFAA O=C(NCc1cccnc1N1CCc2ccccc2C1)[C@H]1CCCCO1 11950399 NAERLZBPWOWVGG-LJQANCHMSA-N 351.450 2.830 0 50 FFAA Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1C 12003774 SRHVCDAZKXRYOJ-ZDUSSCGKSA-N 372.446 2.868 0 50 FFAA CCN(CC)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 14745975 YRENDWKQWNDAQR-HNNXBMFYSA-N 358.486 2.967 0 50 FFAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(C4CCCC4)C3)CC1)OCO2 19224674 ABPOBJUYNQSHIQ-HXUWFJFHSA-N 371.525 2.940 0 50 FFAA O=S(=O)(C[C@H](CN1CCCCC1)N1CCCCC1)c1ccccc1 19868899 FRIIXXSFULMALB-SFHVURJKSA-N 350.528 2.801 0 50 FFAA Cc1cnnc(N2CCC[C@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1C 1857698857 LQSDEJFEPGTKBX-FQEVSTJZSA-N 351.454 2.951 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cc(C(F)(F)F)ccn1)C[C@@H]2O 1857719602 QKFSQDVFVSPTAF-CYGHRXIMSA-N 364.367 2.674 0 50 FFAA O=C(c1ccc(-c2ccccc2F)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857727373 PUMRHQBARJHHOU-NQIIRXRSSA-N 366.392 2.666 0 50 FFAA O=C(Nc1ccnn1Cc1ccncc1)c1cccc(N2CCCC2=O)c1 1875243526 KNXDIOXUVLOMNJ-UHFFFAOYSA-N 361.405 2.706 0 50 FFAA CCc1cc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n2ncnc2n1 301583553 VIMLTQGFYSKHMI-AWEZNQCLSA-N 356.817 2.558 0 50 FFAA COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1O 2857670 MDXFESLYXHRFDS-UHFFFAOYSA-N 358.213 2.964 0 50 FFAA Cn1ccc(N2CC[C@H](N=c3cc[nH]c4ccc(Br)cc34)C2)n1 2325733097 YYTFGKHTHMLDOF-ZDUSSCGKSA-N 372.270 2.844 0 50 FFAA Cc1sc([C@H](C)N)nc1C(=O)Nc1cn(C)nc1O[C@@H](C)C(C)C 2325786419 JWHZABUUUZIODO-UWVGGRQHSA-N 351.476 2.880 0 50 FFAA OC[C@@H]1CNCCN(Cc2cc3c(Br)cccc3s2)C1 2325787351 VFAMEDTVLINXMR-LLVKDONJSA-N 355.301 2.678 0 50 FFAA C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)ns2)CCN1c1ccncc1 2325796362 LAINUCTWUCSOIC-CQSZACIVSA-N 365.462 2.951 0 50 FFAA CN(C)Cc1ccc(CN(C)C(=O)c2sc3nccnc3c2N)cc1 2325804529 XFMPDWMXTNGJPH-UHFFFAOYSA-N 355.467 2.607 0 50 FFAA CC(C)C[C@H](CNC(=O)c1c(Br)noc1C1CC1)C(=O)O 2325813044 FZKBNWIIRDEVMR-SECBINFHSA-N 359.220 2.791 0 50 FFAA NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 1062365 YKPSGVUVJOUTQD-UHFFFAOYSA-N 356.856 2.718 0 50 FFAA COCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 1407282 SXMHDVRQHNNNAM-UHFFFAOYSA-N 374.249 2.954 0 50 FFAA O=C(NC[C@H]1CCCO1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 1456936 RCMZOMBKYRLDEW-OAHLLOKOSA-N 356.422 2.524 0 50 FFAA COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O 1595957 MATGKVZWFZHCLI-LSDHHAIUSA-N 358.390 2.689 0 50 FFAA endogenous,in-man O=C(CNC(=O)c1ccccc1)Nc1ccc(OC[C@H]2CCCO2)cc1 54033812 BTTVJTMPOPPAGE-GOSISDBHSA-N 354.406 2.613 0 50 FFAA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(C)C)c2)CC1 9426053 HHHVKTMNHVAMKR-UHFFFAOYSA-N 369.483 2.782 0 50 FFAA CCN(CC)S(=O)(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65399405 HYLZXLVSLXNZHX-RBUKOAKNSA-N 362.495 2.577 0 50 FFAA COCC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(C(C)=O)s3)c2O1 20149222 NPMFMCRTJJLOBA-ZDUSSCGKSA-N 363.410 2.823 0 50 FFAA COCc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)o1 20781081 IMKCVEXCJCCGEJ-UHFFFAOYSA-N 366.465 2.861 0 50 FFAA COc1cccc(Cn2nc(C3CCNCC3)n(-c3ccccc3)c2=O)c1 67692833 JYDZBXXPYSSYNJ-UHFFFAOYSA-N 364.449 2.558 0 50 FFAA Cc1cc(O)nc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 328983104 SIGGPWHHLMPAGJ-HNNXBMFYSA-N 363.421 2.901 0 50 FFAA COCC(C)(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 67726078 RNADKYIAOLBNMY-OAQYLSRUSA-N 362.514 2.678 0 50 FFAA Cc1cncnc1C1CCN(Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 216416879 NAGKACNPLWONFV-GOSISDBHSA-N 368.485 2.546 0 50 FFAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCCN1C1CCOCC1 154785282 TTXRIPCNPQUFTP-LJQANCHMSA-N 354.454 2.513 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)OC1=O 72162388 XRPXMOAAUBAEIV-IBGZPJMESA-N 360.458 2.904 0 50 FFAA Cn1cc(CNc2cc([C@@H]3CCCOC3)nn2C)c(-c2ccncc2)n1 366764504 WCMNGYBAIDZBSO-OAHLLOKOSA-N 352.442 2.722 0 50 FFAA CN1CCN(CCC[C@@]2(O)c3ccccc3COc3ccccc32)CC1 71769478 ZNVHPPNLQFFXAX-JOCHJYFZSA-N 352.478 2.843 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2ccc(Cl)cn2)C1 72438160 QLUMCQXDELAAOJ-AWEZNQCLSA-N 360.893 2.843 0 50 FFAA O=C(CSc1ccncc1)N1CCC2(CC1)c1ccccc1C[C@H]2O 72167632 KVBVHGVSGRRPEU-GOSISDBHSA-N 354.475 2.651 0 50 FFAA CCOc1cc(F)ccc1NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 127859972 APLJMYJQHDDXIW-BNOWGMLFSA-N 362.401 2.727 0 50 FFAA C[C@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[S@@](=O)C1 285454100 YHGGOYCCTSWVCT-WVDJIFEKSA-N 357.273 2.791 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1CCO[C@@H](Cc2cccc(F)c2)C1 71758764 PNENCNVCHCAFFB-ZDUSSCGKSA-N 367.314 2.513 0 50 FFAA O=c1c2c3c(sc2[nH]c(=S)n1CCCN1CCOCC1)CCCC3 17075151 FJUANFDZCBEGHW-UHFFFAOYSA-N 365.524 2.722 0 50 FFAA CNc1cc([C@H]2C[C@H](NC(=O)c3c(C)nc4ccc(Cl)cn34)C2)ncn1 223486921 QNZVLRCJEOICJS-BJHJDKERSA-N 370.844 2.804 0 50 FFAA COc1ccc2c(c1F)CC[C@H]2Nc1cccc(C(=O)NCCC(N)=O)c1 290418248 UOGVDZVNXUESBZ-MRXNPFEDSA-N 371.412 2.539 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)c(C)c1 426397439 OLYAIINHYDUABD-CQSZACIVSA-N 372.425 2.696 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc2ccccc2[nH]1 220691350 ACBZQSDKJBFRFV-NVXWUHKLSA-N 357.435 2.729 0 50 FFAA CNC[C@H]1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 178995013 IOUXTAXPQYWZMY-MRXNPFEDSA-N 364.449 2.595 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2cnccn2)C1 91665044 DFTMYXGGERJRAV-FQEVSTJZSA-N 353.422 2.619 0 50 FFAA CCN(Cc1cnn(CC)c1)C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O 92098466 IDDNUMLWCSMHNU-UHFFFAOYSA-N 365.437 2.624 0 50 FFAA Cc1nccn1-c1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 426632948 WFKFPHBXIFNMLX-FQEVSTJZSA-N 367.497 2.951 0 50 FFAA COc1ccc(F)cc1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91452633 RSOGSBVTSHFQDN-FUHWJXTLSA-N 369.440 2.966 0 50 FFAA Cc1ccc2nc(COCC(=O)N3CCC[C@@](CO)(CC4CC4)C3)[nH]c2c1 91351132 GYPRFWXPEBOTER-OAQYLSRUSA-N 371.481 2.789 0 50 FFAA COc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C)C3)ncn1 91943583 KUNZNAUFQWNTDG-QGZVFWFLSA-N 366.465 2.718 0 50 FFAA C[C@@H]1CNC(=O)CCN1C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 95511821 TZZDAERHYUMTFO-GFCCVEGCSA-N 367.380 2.985 0 50 FFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 95385904 HVBLDLBXYXMSHC-QGZVFWFLSA-N 356.470 2.560 0 50 FFAA O=C(c1cccc(Cl)c1)N1C[C@H]2CN(CC3CCC3)C[C@@]2(C(=O)O)C1 96164613 AQNXQJKLOKQLCA-DNVCBOLYSA-N 362.857 2.599 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cccnc2OC)C3)cc1 96137844 NNZBKQFUPDQXJO-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA Cn1nccc1CCNC(=O)Nc1cccc(NC(=O)C2CCCC2)c1 96141306 VIJOEANFWMGSOL-UHFFFAOYSA-N 355.442 2.913 0 50 FFAA Cc1nc2ccc(C(=O)N3CC[C@]4(CCCN(C(C)C)C4=O)C3)cc2o1 91625565 SEHJLYXOMMATOT-HXUWFJFHSA-N 355.438 2.999 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 91657385 KKNZCXMLGGLRMO-KRWDZBQOSA-N 357.498 2.681 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95381928 VNCRVMBGASAUPD-SJLPKXTDSA-N 369.509 2.590 0 50 FFAA CCn1cc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 95381524 UDAUJOPTHRZXQN-PWRODBHTSA-N 352.482 2.671 0 50 FFAA CCNC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 91849287 AIKQSPODCDAHOJ-SFHVURJKSA-N 355.482 2.977 0 50 FFAA CCc1nccn1CCCNC(=O)Nc1ccc2c(c1)oc(=O)n2CC 97572335 MFLMINPAYYSDDB-UHFFFAOYSA-N 357.414 2.585 0 50 FFAA COc1ccccc1CCN1CCC(CN(C)C(=O)[C@H]2CCCCO2)CC1 95513104 NQTIFFYXKNAHEN-OAQYLSRUSA-N 374.525 2.977 0 50 FFAA O=C(O)[C@H]1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CN1 91643677 IXZPJFCEUAAJDB-QGZVFWFLSA-N 356.466 2.554 0 50 FFAA Cc1nccn1CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 297242346 ZHWOQZBYYFUFSO-ZDUSSCGKSA-N 353.253 2.893 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1C 252493638 NEYXMKGPUGSNLE-UHFFFAOYSA-N 359.495 2.513 0 50 FFAA COc1cccc(SCC(=O)N2CCCN(C(=O)c3ccco3)CC2)c1 361596898 HVARIMYSZSZVKQ-UHFFFAOYSA-N 374.462 2.755 0 50 FFAA CN1C(=O)C[C@@H](C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)C1(C)C 299761467 RRGQBFWHRXLORV-ZDUSSCGKSA-N 357.454 2.998 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)C1CC1 299795495 MGGNTPIQLOOKFQ-FQEVSTJZSA-N 352.482 2.867 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)N(C)Cc3cc(C4CC4)on3)ccc21 299787614 PRAOJMIXZWVFBR-UHFFFAOYSA-N 370.409 2.961 0 50 FFAA CCCNC(=O)N1CCOC2(CCN(C(=O)c3ccc(C)c(C)c3)CC2)C1 822927667 ZQIKBFCISUHALN-UHFFFAOYSA-N 373.497 2.730 0 50 FFAA Cc1nc2sccn2c1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 876816002 UWLHCJNBIRRDGF-INIZCTEOSA-N 369.494 2.884 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1Cc1ccc2c(c1)COCC2 1875398753 DHPYEBOCMQOOCA-QZTJIDSGSA-N 354.454 2.567 0 50 FFAA Cc1ncc(CN[C@@H]2C[C@@H](Cn3ccnc3-c3ccccc3)C[C@H]2O)[nH]1 1875398896 IKBZKFUHQGJHCH-ATZDWAIDSA-N 351.454 2.511 0 50 FFAA CC(=O)N/C(=C\c1ccccc1)C(=O)N1CC[C@]2(c3cccnc3)C[C@H]2C1 1875329344 RLXVEKSVGKUFHC-JSDVFWBHSA-N 361.445 2.749 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 1875365233 CVLMTQZQXNLPRU-RTBURBONSA-N 374.456 2.929 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)cc1 1875373594 HIVAVKNAQBNMJN-QGZVFWFLSA-N 350.418 2.828 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)ccn1 886095533 ZIGWRFKLFMKETF-GOSISDBHSA-N 357.429 2.505 0 50 FFAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(F)c(Cl)c1)C2 888095500 ZVTAUTSBKNTSEE-KONPQCLYSA-N 354.853 2.689 0 50 FFAA CC(C)(C)NC(=O)N1CCC(NC(=O)c2cccc([C@@H]3CCOC3)c2)CC1 271901164 AQDCDWCLWVFUII-QGZVFWFLSA-N 373.497 2.893 0 50 FFAA C[C@H]1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c2c(O)cccc21 186320656 FVRWDENBLVVSGI-LBPRGKRZSA-N 356.426 2.753 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N(CCc1cccc(F)c1)C1CC1 186987651 HSXFTWXGCLEVNG-UHFFFAOYSA-N 373.400 2.683 0 50 FFAA C[C@H]1CN(Cc2nc(-c3c(F)cccc3F)cs2)CCN1CCO 187728959 VJASGPWFPIIAIW-LBPRGKRZSA-N 353.438 2.587 0 50 FFAA Cc1cc(S(=O)(=O)NC(=O)c2cn(C)nc2C2CCCCC2)c(C)o1 408333622 GOLLSGQDJQPOEP-UHFFFAOYSA-N 365.455 2.796 0 50 FFAA Cc1noc(-c2ccc(C(=O)N3CCO[C@H](c4nccs4)C3)cc2)n1 110885790 OWWBJFBLBHDSNL-AWEZNQCLSA-N 356.407 2.715 0 50 FFAA C[C@@H](NC(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccc(F)c(F)c1 193449235 BCCALDODJFOSHT-LLVKDONJSA-N 360.426 2.635 0 50 FFAA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccn(CC(F)F)n1 194181376 FZEDQGJUBHQHDB-HNNXBMFYSA-N 362.424 2.885 0 50 FFAA C[C@@H](OC(=O)c1nnc(O)c2ccccc12)c1nc(O)c2ccccc2n1 747615157 ZINUSIYNXIUIQD-SNVBAGLBSA-N 362.345 2.902 0 50 FFAA COC[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2Cl)C1 1506431469 LJHQORLXNFUKPV-NSHDSACASA-N 367.298 2.686 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 211633117 KBUCCKNTIKQWDS-NQIIRXRSSA-N 355.482 2.801 0 50 FFAA Cc1cc(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)c2cc(F)ccc2n1 1615953704 PDCGFAVEWIWSTE-JXFKEZNVSA-N 369.440 2.618 0 50 FFAA COCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 5248425 JCAZLBBXPOFGIS-SFRRXYARSA-N 350.418 2.776 0 50 FFAA COc1cccc(C(=O)N2CCCN(c3ccnc(SC)n3)CC2)c1C 1772812183 IBSQQYIPDNPDDU-UHFFFAOYSA-N 372.494 2.868 0 50 FFAA Cc1ncc(CN2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)cn1 11958055 CSQNGVSPFGPHGS-NRFANRHFSA-N 368.456 2.939 0 50 FFAA Cc1c(C(=O)N[C@H]2CCOC2)sc2ncnc(NCc3ccco3)c12 12021962 FDHVRADLIBWUBH-NSHDSACASA-N 358.423 2.724 0 50 FFAA CSCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12711253 LMRUFUAXOZGGCD-SFHVURJKSA-N 368.449 2.669 0 50 FFAA COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCC(N)=O 19871794 MQVLRTUABPBRRC-UHFFFAOYSA-N 366.820 2.684 0 50 FFAA CCCCOC(=O)[C@H]1[C@@H]2C(=O)N([C@H](C)c3ccccc3)C[C@@]23C=C[C@H]1O3 169773750 XJEFGTNFHAWRLF-RWBBEJTFSA-N 355.434 2.873 0 50 FFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1cnc(CN2CCCC2)s1 220614466 RWLKQTXFIAXFIO-GPMSIDNRSA-N 371.506 2.981 0 50 FFAA CC(=O)c1ccnc(N2CCC3(CC2)CC(=O)N(CC2CCC2)CCO3)c1 1857677526 GMZWXISRHHLBQB-UHFFFAOYSA-N 371.481 2.672 0 50 FFAA C[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CCN1c1ccc(F)cn1 1857681433 DYEVVCSAEJSZSQ-CQSZACIVSA-N 353.401 2.981 0 50 FFAA Cc1cnc([C@H](C)NC(=O)c2cc3c(s2)C2(CCN(C)CC2)OCC3)[nH]1 1857688010 OXYBRNSWDTZXIV-ZDUSSCGKSA-N 374.510 2.764 0 50 FFAA Cc1nc(CCn2ccnc2-c2cnn3cccnc23)nc2c1CCCC2 1857689390 OSZBJDQZMHLKMK-UHFFFAOYSA-N 359.437 2.813 0 50 FFAA NC(=O)N1CCC[C@H]1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 408260480 GKNVFZKDUFAXBP-AWEZNQCLSA-N 353.825 2.670 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]2CCC[C@H]2N)CCOCC1 237267296 IUEBFMSBFBQVAD-GDBMZVCRSA-N 366.889 2.640 0 50 FFAA O=C(NC[C@@H]1CNCCCO1)N1CCC(c2cccc(Cl)c2)CC1 333863845 SPWIQTPPTZVWCK-KRWDZBQOSA-N 351.878 2.608 0 50 FFAA CCN(C)c1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cn1 241440008 NOJGMTRQDCBIGL-UHFFFAOYSA-N 357.458 2.685 0 50 FFAA O=C(Nc1cccc(CNC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccncc1 363397576 SBLADANXIMICQT-FQEVSTJZSA-N 373.412 2.954 0 50 FFAA Cc1ccc(N2CC[C@@H](N(C)Cc3cn(C)nc3C(F)(F)F)C2=O)cc1 155330951 LAWNZEVPSYXMRS-OAHLLOKOSA-N 366.387 2.985 0 50 FFAA O=C(c1ccnc(OC2CCC2)c1)N1CC[C@](CO)(c2ccccc2)C1 368289869 AQTBKKILZIPMQQ-NRFANRHFSA-N 352.434 2.789 0 50 FFAA O=C(NCc1coc(-c2ccccc2)n1)N1CCC(N2CCCC2=O)CC1 266814414 PTYGKVNUFCWVEQ-UHFFFAOYSA-N 368.437 2.638 0 50 FFAA CO[C@H]1C[C@](N)(C(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 2325774676 IIANIQPPROIVMH-XNJGSVPQSA-N 372.296 2.585 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(c2cc(N4CCC[C@@H](CO)C4)ncn2)C3)cc1 2325780830 ROOFBOKZVOPZBM-SFGWALBWSA-N 364.493 2.772 0 50 FFAA COc1cc(C(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)ccn1 2325866683 WGYSLBBQWRXELD-UHFFFAOYSA-N 350.378 2.805 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCSC[C@H]2c2cccs2)CC1 2325888412 QRNNKJQUIWOWQJ-AWEZNQCLSA-N 350.509 2.789 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 178896 NNVAEGDGLIJWFI-HZPDHXFCSA-N 350.846 2.880 0 50 FFAA COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)c1 1159493 WVYLLWLPCUDRDF-UHFFFAOYSA-N 374.418 2.837 0 50 FFAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1C 1234546 ZYULGDXRMYWMRI-UHFFFAOYSA-N 362.451 2.983 0 50 FFAA Cc1cccc(OCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 1786417 HVJLOGYHUZNULK-UHFFFAOYSA-N 362.451 2.749 0 50 FFAA aggregator Cc1ccc(S(=O)(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)cc1C 2356137464 ZETBSEQDFRDWPX-IBGZPJMESA-N 362.495 2.612 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cccc3nccnc23)C1=O 2356170287 YEYYAGMURBANEZ-HXUWFJFHSA-N 352.438 2.635 0 50 FFAA CC1=NN(C(=O)CCc2ccc3c(c2)OCO3)[C@@](O)(c2ccccc2)C1 4487021 WQLHPWIUEDFOPB-FQEVSTJZSA-N 352.390 2.801 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 23374353 JHIWJMNCWUARQC-FQEVSTJZSA-N 358.457 2.903 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 27642393 SAKGBZWJAIABSY-LUKWTTMJSA-N 352.471 2.819 0 50 FFAA in-vitro CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccsc1 248239922 AQWQRZSXJPJBMP-JKSUJKDBSA-N 350.484 2.829 0 50 FFAA Cc1ccc(CN2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)o1 104458445 HVIUNCJAGSRERD-MRXNPFEDSA-N 372.494 2.662 0 50 FFAA Cc1nc(S)sc1CC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 135464433 NADVIQHDZFLCCH-CYBMUJFWSA-N 350.465 2.588 0 50 FFAA C[C@H](Oc1cccnc1)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 117788632 KBTKYRHWEJUGOS-HKUYNNGSSA-N 353.466 2.530 0 50 FFAA CCn1ncc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c1C 20599737 ZSBRKVBJZUEAOZ-NRFANRHFSA-N 356.514 2.589 0 50 FFAA Cc1ccn2c(CN(C)[C@H]3CCOC3)c(C(=O)N3CCCCCC3)nc2c1 23339096 WUDYQIWKZQYQMW-KRWDZBQOSA-N 370.497 2.880 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2nnc(Cc3cccc(C)c3)s2)CC1 1506402346 NNIIRQFBNRGBLA-UHFFFAOYSA-N 358.467 2.634 0 50 FFAA Cc1cc(=O)oc2cc(CN3CCC(C(=O)N4CCCC4)CC3)ccc12 67819897 DHNDIBVHLVICEX-UHFFFAOYSA-N 354.450 2.936 0 50 FFAA CN1C(=O)CC[C@H]1C(=O)NCc1ccc(OCc2cccc(F)c2)cc1 479844094 XXUVTZPWTYUSGH-SFHVURJKSA-N 356.397 2.642 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229618006 NRDIJPOQHRRDCY-LAISTDEBSA-N 372.465 2.648 0 50 FFAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 282772389 QYIHGONLYJTRAS-PZTHBURQSA-N 369.387 2.775 0 50 FFAA COc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c(F)c1 65394031 WENMZYFPXIIEBM-FUHWJXTLSA-N 359.397 2.913 0 50 FFAA COCc1nc(N(C)Cc2cc(-c3ccccc3)n[nH]2)c2cnn(C)c2n1 72149161 HFOBRLZCIZOSFO-UHFFFAOYSA-N 363.425 2.536 0 50 FFAA COc1ccc(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)cn1 154357176 UCLNYBWGLMJURJ-MRXNPFEDSA-N 365.311 2.600 0 50 FFAA Cc1ccccc1Nc1nc(CN2CCOC[C@H]2c2ncnn2C)cs1 367452805 WHDCERBEXLWDBK-INIZCTEOSA-N 370.482 2.897 0 50 FFAA CCCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)Cc2ccccc2C)C1 330689804 FGEGUOHRWYGULU-SJORKVTESA-N 366.527 2.842 0 50 FFAA NC(=O)COc1cccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 72410295 MRYJMLNQQQBPMZ-LJQANCHMSA-N 366.461 2.575 0 50 FFAA CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CCCOC)C2)C1 72454426 BAOUKUMRSAYYKG-HXUWFJFHSA-N 360.502 2.675 0 50 FFAA c1ccc(N2CCC(Nc3nccc(N[C@H]4CCCOC4)n3)CC2)cc1 333221839 DUXCVDRUMZGUPS-KRWDZBQOSA-N 353.470 3.148 0 50 FFAA COc1ccccc1CC1(O)CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 373976609 ZCCXAXDWJYSCAA-KRWDZBQOSA-N 359.466 2.550 0 50 FFAA Cc1cc(C)n(CC2(Cn3ccnc3-c3cc4n(n3)CCCNC4)CC2)n1 72425098 IGWHKMHSJDRHKT-UHFFFAOYSA-N 365.485 2.534 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2c(C)noc2C)c1 33270285 DKMJHHNGCUAJIA-CQSZACIVSA-N 366.439 2.834 0 50 FFAA Cc1ncsc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 262433486 FEQJKWBYCUYUPQ-UHFFFAOYSA-N 373.434 2.641 0 50 FFAA O=C(Nc1cnc2c(c1)COCC2)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 376491642 MIGJIBMHWFVWSN-SECBINFHSA-N 366.343 2.640 0 50 FFAA CCOC(=O)c1cnc2nc(-c3ccc(OC)cc3)nn2c1/C=C/N(C)C 72406614 CBCCQNULAJVTJM-ZHACJKMWSA-N 367.409 2.509 0 50 FFAA O=C(c1cccc(CO)n1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77420462 GDSOPQGEHQEZRW-INIZCTEOSA-N 350.378 2.601 0 50 FFAA CN(C)CCN1C[C@@]2(CCCN(c3ncc(Cl)cc3F)C2)CCC1=O 72476831 IKUCGHIGXTVQLM-GOSISDBHSA-N 368.884 2.645 0 50 FFAA CCCCN1C[C@]2(CCCN(Cc3nc(CSC)no3)C2)CCC1=O 77454924 YFSIQYHSYNNXQA-GOSISDBHSA-N 366.531 2.937 0 50 FFAA Cc1cc(N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccn1 77538333 UHUJDPOULXERSM-FQEVSTJZSA-N 353.470 2.565 0 50 FFAA O=C(c1cccc(CC2CCNCC2)c1)N1CCC[C@@H]1Cn1cccn1 72166263 JOKQQAIRARNALR-HXUWFJFHSA-N 352.482 2.730 0 50 FFAA O=C(CCc1ncc[nH]1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 288392521 MFXYVRLLLMQWJC-RTBURBONSA-N 352.482 2.855 0 50 FFAA C[C@](O)(CNC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)O 263499027 SDFCLMWAZFEUKJ-SFHVURJKSA-N 350.415 2.603 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)Cc3ccc(C(=O)O)cc3)CCO2)c1 263526616 KFNKRDGIEQYTKT-SFHVURJKSA-N 355.390 2.536 0 50 FFAA Cc1cc(N2CCN(C(=O)c3cc4c(cc3C)OCCO4)CC2)cc(C)n1 82156140 BQZUEBFDBQFZGE-UHFFFAOYSA-N 367.449 2.740 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCc3cnn(Cc4ccccc4)c3)C2)n1 426529389 PATXEGQVXGKQIU-UHFFFAOYSA-N 364.453 2.511 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2cc(C(F)(F)F)ccn2)c1 426706004 ZNJHNCYASSCSTO-HNNXBMFYSA-N 363.339 2.857 0 50 FFAA CC(C)(CN1CCCC1)NC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 426613707 ZNQXCIDTCDYQIT-HXUWFJFHSA-N 373.541 2.886 0 50 FFAA CO[C@@H](C)C(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95360555 GJRKBJKFWBPKAU-NADMHLTPSA-N 356.466 2.576 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2cccs2)n(C)n1 95363230 BECDFAUBWPYBLY-AWEZNQCLSA-N 360.483 2.622 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCCCN(C)c1ccccc1)CO2 92099525 MXRDIPMDMIDQQF-QGZVFWFLSA-N 354.450 2.889 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 92080372 GLRCGZVMWSGHLZ-UHFFFAOYSA-N 366.461 2.784 0 50 FFAA CCN(CC1CCOCC1)C(=O)c1cccc(-c2cncc(C(=O)O)n2)c1 426526008 HTHOOGBPXUYTJR-UHFFFAOYSA-N 369.421 2.731 0 50 FFAA CC(C)c1nc(CCNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cs1 91412033 ILVRZDCZXIQGFE-UHFFFAOYSA-N 368.462 2.989 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCc1noc(Cc2cccs2)n1 95504297 KZCQSMGRZCPGDW-LBPRGKRZSA-N 359.455 2.919 0 50 FFAA C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)[C@@H]1CCCOC1 295772385 BUWLEZVGPXAGNO-GXFFZTMASA-N 365.373 2.626 0 50 FFAA CCCCSc1nc(N)cc(N2CCC(O)(c3cccnc3)CC2)n1 95388152 KZNWVWKQDBZDJJ-UHFFFAOYSA-N 359.499 2.834 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1ccc(F)cc1C)CC2 91907705 WHVXJZAJJRKNPD-UHFFFAOYSA-N 362.445 2.625 0 50 FFAA CC(C)[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1NC(=O)N(C)C 91635930 HEFYNDSUIWIGRS-ZWKOTPCHSA-N 355.486 2.804 0 50 FFAA Cc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91624580 ICZIXRPGQXAPDN-RBUKOAKNSA-N 371.506 2.675 0 50 FFAA COc1cccc2c1OC[C@H](CNC1CCN(Cc3ccccn3)CC1)C2 95365555 ILHARQWALJZLTB-KRWDZBQOSA-N 367.493 2.896 0 50 FFAA CC(C)O[C@H]1CN(C(=O)Nc2ccccc2Oc2cccnc2)C[C@@H]1O 95503141 ZXEMTFYOYGSWTC-WMZOPIPTSA-N 357.410 2.876 0 50 FFAA O=C(O)c1cccc(-c2nc3c([nH]2)CCN(C(=O)Cc2ccccc2)C3)c1 244707824 KIHOMIQOMXXIFV-UHFFFAOYSA-N 361.401 2.902 0 50 FFAA O=C(CN1CCOc2ccccc2C1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244691592 JFMKXIRCOTXKGM-YRNRMSPPSA-N 372.490 2.571 0 50 FFAA Cc1cc(Cl)cc2c1N(C(=O)c1cn(CC3(C)COC3)nn1)CCC2 184919174 WAQBEQWNEVLCAP-UHFFFAOYSA-N 360.845 2.869 0 50 FFAA COc1ccc(-c2ccc(C(=O)NCc3nnc4n3CCCC4)o2)cc1 65434661 UVNZRTXECATTLZ-UHFFFAOYSA-N 352.394 2.813 0 50 FFAA CCCC[C@H]1CN(CCNC(=O)/C=C/c2c[nH]cn2)Cc2ccccc2O1 299771721 XBFXFVMBRLZOIH-YXBWYFRISA-N 368.481 2.993 0 50 FFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)O)C2)c1cccc(F)c1F 299768144 GMGZKZJJZTUWGH-ZCFIWIBFSA-N 352.318 2.503 0 50 FFAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cc(O)nc2cc(F)ccc12 826607785 PPOQJKVHYIIIBL-LBPRGKRZSA-N 371.412 2.600 0 50 FFAA O=c1c2nccnc2ncn1Cc1cc(COc2ccccc2)cs1 584894353 BGRYWPOMGMPQQS-UHFFFAOYSA-N 350.403 2.875 0 50 FFAA Cc1nnccc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 269974991 UPRITQNWPYOVCO-HNNXBMFYSA-N 364.371 2.808 0 50 FFAA Cc1cc(=O)c2c(o1)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 828244748 SDFNWTRDRGEAQP-CQSZACIVSA-N 363.369 2.650 0 50 FFAA biogenic CC1(C)C[C@@]1(C(=O)NCCc1nc(-c2cccnc2)n[nH]1)c1cccs1 670473816 JXLQEGQIFFEQJZ-IBGZPJMESA-N 367.478 2.955 0 50 FFAA Cc1nc(N[C@@H](CO)c2cccc(C(F)(F)F)c2)c2cnn(C)c2n1 865993039 RCEFWKCMYBQEFI-ZDUSSCGKSA-N 351.332 2.836 0 50 FFAA COc1ccc2[nH]c(CNC(=O)CCS(=O)(=O)c3ccccc3)cc2c1 670438025 ZKPGUTWKFWBFLD-UHFFFAOYSA-N 372.446 2.657 0 50 FFAA N[C@@H](Cc1ccsc1)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 1875291537 COCARIAYEBQLCH-KRWDZBQOSA-N 372.494 2.562 0 50 FFAA CC(=O)Nc1ccc(CN(C)C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)cc1 1875298880 QOKKWKFGXVXERS-UTKZUKDTSA-N 363.417 2.513 0 50 FFAA CNC(=O)c1cccc(CCC(=O)N2CC(Oc3ccccc3Cl)C2)c1 1875390195 BKJKDPAMDOVWKW-UHFFFAOYSA-N 372.852 2.922 0 50 FFAA COC(=O)c1cc(NC[C@@]2(C(=O)OC)CC=CCC2)c(F)cc1OC 1875341487 UXFZSZLUXYWSKT-GOSISDBHSA-N 351.374 2.932 0 50 FFAA CCCCC(=O)N1CC[C@H](NC(=O)c2cccc(OC)n2)C2(CCC2)C1 1875331760 BLRDSQQHAFJZAG-INIZCTEOSA-N 359.470 2.781 0 50 FFAA CCN(C)C(=O)N[C@@H]1C[C@@]2(C[C@H]1O)CN(Cc1ccccc1)[C@@H]2C(C)C 1875339561 OOTVNCNKJFQMPG-ANTGDGSKSA-N 359.514 2.698 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H]3CC[C@]3(C(F)(F)F)C2)cc1 1875366815 FGQHBYOSVICMDL-YOEHRIQHSA-N 352.356 2.903 0 50 FFAA Cc1nsc(N2CCC[C@H](NC(=O)C[C@@H]3OCCC3(C)C)[C@@H]2C)n1 1875405702 MOYODAPCUQKCMT-UBHSHLNASA-N 352.504 2.525 0 50 FFAA O=C(c1ccncc1)N1CCC(N2CCO[C@H](c3ccccc3)C2)CC1 952991199 ZZINSNRQMBPKTN-FQEVSTJZSA-N 351.450 2.760 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 952863732 WAKWEORSKRDGNM-QGZVFWFLSA-N 356.422 2.812 0 50 FFAA CCN(Cc1nc(C(C)C)no1)S(=O)(=O)CCOc1ccccc1F 952970010 NPCZNWIJUAMWQB-UHFFFAOYSA-N 371.434 2.563 0 50 FFAA CCN1CCO[C@@H](CNCc2ccc3occc3c2)[C@@H]1c1nccn1C 886081887 BGRMBMLURQMWPC-RBUKOAKNSA-N 354.454 2.718 0 50 FFAA C[C@@]1(C(=O)O)[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cnccc1C(F)(F)F 899793469 ZUIHYQMHWOOHNH-RKTKGFPOSA-N 354.328 2.630 0 50 FFAA Cn1c(C(C)(C)NCCn2cnc3ccccc3c2=O)nc2ccccc21 186555702 HLNKDNOVOFZCAZ-UHFFFAOYSA-N 361.449 2.808 0 50 FFAA CCCOc1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1Cl 41095900 RBQCIQMODWLUIT-UHFFFAOYSA-N 361.847 2.614 0 50 FFAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 170810693 QCUYMWSSCYQKMY-SFHVURJKSA-N 368.433 2.609 0 50 FFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](O)c3cc(F)ccc32)C1 222259145 OWXJDGDFRHIMKO-PBFPGSCMSA-N 356.463 2.682 0 50 FFAA CN(Cc1ccc2ncccc2c1)S(=O)(=O)c1ccccc1C(=O)O 1506421471 JWDVXACMLVTDEQ-UHFFFAOYSA-N 356.403 2.754 0 50 FFAA Cn1ncc2c(N)nc(NCC[C@@H]3CCCCN3Cc3ccccc3)nc21 1529197950 ZRWSVEJEQRXDQU-INIZCTEOSA-N 365.485 2.802 0 50 FFAA Cc1cccc(N2CCC(Nc3cc(N4CCC(O)CC4)ncn3)CC2)c1 1529167923 RKKZWQBIGQOSPL-UHFFFAOYSA-N 367.497 2.827 0 50 FFAA OC[C@@]1(O)CCOC2(CCN(Cc3nc(-c4ccccc4)cs3)CC2)C1 1704298544 HJECPOQQQDHPDE-LJQANCHMSA-N 374.506 2.679 0 50 FFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2C1 1704297528 ARGMLCIWOCRESQ-USTZCAOPSA-N 350.528 2.641 0 50 FFAA Cc1cc(C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2O)on1 1615964293 BDFNLRQLZCKNOS-WFASDCNBSA-N 354.328 2.677 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)o1 1616071274 HPPBBVQHLDOEPQ-YJBOKZPZSA-N 365.433 2.769 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3cccn3-c3cccnc3)C2)C1 11821187 BEFRFOQKFJEZQA-OAQYLSRUSA-N 354.498 2.807 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1 12138655 ACVGUXDHHZOTQI-UHFFFAOYSA-N 362.813 2.734 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CC(Cc2ccc(F)cc2)=NO1 12198488 NLDKSNLDKHOLCP-GOSISDBHSA-N 372.444 2.612 0 50 FFAA Cc1nonc1CN(C)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2F)CC1 12244827 OFBXTFNVHWFDKS-OAHLLOKOSA-N 364.396 2.669 0 50 FFAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNC1CCCCC1 12458145 IRTPALKDTQQVJI-LJQANCHMSA-N 352.425 2.741 0 50 FFAA NC(=O)COc1cccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)c1 19143471 MCRQPDFDFXLFAH-CQSZACIVSA-N 358.825 2.834 0 50 FFAA O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1cccc(Cl)c1 169760044 NHADPFIJGWOHQT-UHFFFAOYSA-N 356.813 2.667 0 50 FFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3ncnc4ccsc34)C1)CC2 1857709223 LSEQVGMLTRWZIY-GOSISDBHSA-N 353.451 2.980 0 50 FFAA CC[C@@H](OC1CCCCC1)C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 119726616 IMSDBLKGECUDFF-RHSMWYFYSA-N 364.490 2.711 0 50 FFAA CC1CCN(CC(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CC1 123337169 OBJGHGIIYVTWIJ-UHFFFAOYSA-N 358.530 2.887 0 50 FFAA CNc1nc(C)cc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n1 332566200 ZPBPFEZFHBRSEM-UHFFFAOYSA-N 351.237 3.332 0 50 FFAA COc1ccc(Br)c(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)c1 237316205 BRCXSIAUWOPUFA-SECBINFHSA-N 356.216 2.783 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(Br)c1 238105810 SCAAGDIVSUMMFK-CYBMUJFWSA-N 374.206 2.684 0 50 FFAA S=c1n(CN2CCOCC2)nc(-c2ccncc2)n1-c1ccccc1 19596969 LAWLGBYGOBIAHV-UHFFFAOYSA-N 353.451 2.755 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 263061052 XGLQXTFNLFDJJB-AVGNSLFASA-N 351.365 2.599 0 50 FFAA C[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2cccc(Br)c2)CCO1 263277948 YGHZZUAUXHAOSP-WCQYABFASA-N 370.243 2.677 0 50 FFAA C[C@@H](NCCOc1ccc(I)cc1)c1cn(C)cn1 926367236 KWPHNNBIOIDUKA-LLVKDONJSA-N 371.222 2.754 0 50 FFAA Cc1ccc(-c2noc(Cn3cc(I)cn3)n2)cc1 6702482 PPYZHPHUVKLJHI-UHFFFAOYSA-N 366.162 2.894 0 50 FFAA Cn1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c2nc(-c3ccccc3)ccc21 2325779825 GXMIMFOTYXWJIQ-INIZCTEOSA-N 374.444 2.687 0 50 FFAA N[C@H]1CC2(CCN(c3cc(=O)n4ccccc4n3)CC2)Oc2ccccc21 2325791138 XZYFWEZZNQFGIQ-INIZCTEOSA-N 362.433 2.516 0 50 FFAA O=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 754862 IJBSVVTYSRQCFW-UHFFFAOYSA-N 365.476 2.694 0 50 FFAA COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1Cl 1059791 RHAARUWVWNEOFU-UHFFFAOYSA-N 354.815 2.972 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCCn2cccn2)CC1 2356159735 OLADIBQZRJRTAF-UHFFFAOYSA-N 369.465 2.763 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@@H](C(=O)NCC)C3)ncnc21 2356169344 QOINHJVBVYTWBI-OAHLLOKOSA-N 372.517 2.787 0 50 FFAA C[C@H]1CN(c2ccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)cc2)CCO1 246901176 LLGAKGZFWJTQGR-QFBILLFUSA-N 358.486 2.614 0 50 FFAA O[C@H](CN1CCC(c2nnc3ccccn23)CC1)c1ccc(F)cc1F 112337118 WVTSXPNUKHWXDJ-QGZVFWFLSA-N 358.392 2.921 0 50 FFAA CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(F)c(Cl)c1 101480148 PTUSOTDVWOSOGG-PGUXBMHVSA-N 374.865 2.550 0 50 FFAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1Cc1ccccn1 9423027 LSJXIBFYLXSSNJ-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3OC)C[C@H]2CCO)c1 104328538 NZFSVJRIMOWULN-HXUWFJFHSA-N 370.493 2.773 0 50 FFAA OCC[C@H]1CN(c2noc(-c3ccccc3)n2)CCN1C1CCCCC1 106944466 BIVNEDWDJIHPJZ-SFHVURJKSA-N 356.470 2.942 0 50 FFAA O=C(NCc1nc(-c2ccccc2)cs1)c1cnc2ccccn2c1=O 52820846 AGWQHZHHHQAMFD-UHFFFAOYSA-N 362.414 2.748 0 50 FFAA OCC1CCN([C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)CC1 22892757 JHODOHAATQFPRE-HSZRJFAPSA-N 371.569 2.820 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(Cc3ccc(Sc4nncn4C)o3)C2)n1 65410455 RJADXUXSTOEGOE-CQSZACIVSA-N 358.471 2.820 0 50 FFAA COc1ccc(N[C@@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1OC 23128835 MGYPHISWARSGBW-MRXNPFEDSA-N 370.453 2.827 0 50 FFAA Cc1cn2c3c(nc2s1)CNC(=O)C[C@H]3c1ccc2c(c1)OCCO2 65419355 PCSDUJMDZQBBJE-LBPRGKRZSA-N 355.419 2.627 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc2ccccc2oc1=O)C1CC1 67803238 XCTZNSFHHRHVJX-UHFFFAOYSA-N 351.406 2.948 0 50 FFAA COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)c(F)c2F)cc1 147303501 UHYIENZZAVUHSX-UHFFFAOYSA-N 361.297 2.612 0 50 FFAA O=C1CC[C@](C(=O)N2CC(c3ccc(F)cc3)C2)(c2ccccc2)CN1 1329460053 INUYDLAQFNQNBF-OAQYLSRUSA-N 352.409 2.600 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1 72427173 FMCTYKJWCMMVCC-UHFFFAOYSA-N 358.404 2.710 0 50 FFAA O=C(O)[C@]12CCCN[C@@H]1CCN(Cc1cccc(-c3ccccn3)c1)C2 72147972 QDOQSLVASMVOQE-CTNGQTDRSA-N 351.450 2.777 0 50 FFAA Cc1cccc([C@@H](O)CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 121710638 HXKKSPDCKGEZFS-UXHICEINSA-N 366.461 2.840 0 50 FFAA COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2)cc1OC 71769517 FPILSQAUUHGENX-UHFFFAOYSA-N 357.406 2.863 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)Cc2csc(C)n2)n1 72409664 HDQWYKCBULYNRA-SECBINFHSA-N 360.405 2.970 0 50 FFAA CC(C)Cc1noc(CSCC(=O)NC[C@@H]2Cc3ccccc3O2)n1 154646867 IBZZCHZFTJBDEV-AWEZNQCLSA-N 361.467 2.621 0 50 FFAA CCc1cnc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)s1 485736425 VLXFOROVWNAJMP-UHFFFAOYSA-N 363.434 2.898 0 50 FFAA CN1CCc2ncnc(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)c2C1 364845453 WWWISBZTOTUFPI-IBGZPJMESA-N 356.445 2.554 0 50 FFAA Cc1ccc2[nH]c(CCC(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N(C)C)nc2c1C 219938030 VEADWGDQCOBUJC-JIPZTSHUSA-N 354.498 2.911 0 50 FFAA CN(C(=O)c1ccc2[nH]nnc2c1)[C@H]1CCCN(Cc2ccccc2F)C1 72145394 LDMYJOLZCBHIRQ-INIZCTEOSA-N 367.428 2.834 0 50 FFAA CC(=O)N1CCCn2nc(C(=O)N[C@H](C)c3ccc4[nH]ccc4c3)cc2C1 71776593 MPEROUMEGUBKNZ-CYBMUJFWSA-N 365.437 2.608 0 50 FFAA O=C(c1cccc(F)c1)N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 129991007 QQKCWJIQSNXVON-UHFFFAOYSA-N 364.424 2.969 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCCCn3nc(C)nc3C)cc2)n1 77322300 XFPQQKCYRBVEQC-UHFFFAOYSA-N 352.442 2.518 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237335579 MACDDXVAEUBKRQ-SMDDNHRTSA-N 359.344 2.901 0 50 FFAA Cc1nc(C(C)C)cc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)n1 72423720 FNUUJRXNIORBRZ-NRFANRHFSA-N 373.545 2.679 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCCc3cn[nH]c3)CC2)OC1=O 72420934 MVJOWTDCDSVLAF-OAHLLOKOSA-N 362.474 2.734 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3snnc3C(C)C)C2)CCC1=O 77440426 ZCWUHKWSUFBHLV-GOSISDBHSA-N 366.531 2.513 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H]2CC(=O)N(CC3CCCCC3)C2)n(C)n1 72169310 QAHWGSWDIOGHIN-KRWDZBQOSA-N 360.502 2.530 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H](CO)Cc3ccco3)cc2)n1 72411597 XLPPQIAFUVADAU-SFHVURJKSA-N 367.449 2.722 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1csc(C(C)C)n1 82099683 KYCKOOYDBBDWKN-UHFFFAOYSA-N 372.498 2.912 0 50 FFAA CCOc1ccc(CC(=O)NCc2cc3n(n2)CCN(CC(C)C)C3)cc1 82136980 XONIXBPEHPHVLN-UHFFFAOYSA-N 370.497 2.612 0 50 FFAA O[C@H](c1cc2n(n1)CCCN(CCn1cnc3ccccc31)C2)C1CC1 222584650 NLYUGJIDGLIRTQ-FQEVSTJZSA-N 351.454 2.582 0 50 FFAA Cc1cccn2c(=O)c(C(=O)N3CCN(CC4CC4)c4ccccc43)cnc12 180316241 SXQIHYJMOYYRJR-UHFFFAOYSA-N 374.444 2.880 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)Nc3ccc4ncccc4c3)CC2)n1 95508567 NQMVLZVMTYJMHC-UHFFFAOYSA-N 362.437 2.996 0 50 FFAA CCn1nc(C)c(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)c1C 91350835 MCIFGNWSVDVYSZ-DLBZAZTESA-N 371.437 2.549 0 50 FFAA O=C(NCCN1CCc2ccccc21)c1cnc(-c2cccs2)nc1O 91973989 OFOWPPXRQGTWQB-UHFFFAOYSA-N 366.446 2.703 0 50 FFAA Cc1ccc(CN(CCO)C(=O)C2CCN(C(=O)C3CCCC3)CC2)cc1 95372305 SHGNIKDEHNTNFF-UHFFFAOYSA-N 372.509 2.745 0 50 FFAA Cc1ccc2nc(CCCNC(=O)c3ccc4c(c3)OCC(=O)N4)oc2c1 97436979 LCRPDKYKHJCECC-UHFFFAOYSA-N 365.389 2.830 0 50 FFAA Cn1nc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2c(Cl)cccc21 91876728 YNAYYLGJLFWUCK-LBPRGKRZSA-N 374.872 2.634 0 50 FFAA Cc1ncc(CN2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cn1 91460894 WHQOLBSVCXKKEV-UHFFFAOYSA-N 365.481 2.585 0 50 FFAA CCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 91643261 FHWUAIPYWLCJIB-DLBZAZTESA-N 369.469 2.580 0 50 FFAA Cn1nc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c2c1CCCC2 97436849 MSCDYWKWLYVTLY-OAQYLSRUSA-N 365.433 2.549 0 50 FFAA COc1ccccc1OC[C@H](C)NC(=O)c1cn(C)c2ccccc2c1=O 97601173 FUDVCZOVJZPXPT-AWEZNQCLSA-N 366.417 2.744 0 50 FFAA Cc1csc(CCCNC(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)n1 97213290 PJNCZRXULIYQRR-UHFFFAOYSA-N 364.402 2.676 0 50 FFAA CC(C)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(Cl)c2)CC1 95521192 NRKYAXLTTBJVGX-OAHLLOKOSA-N 356.825 2.841 0 50 FFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)c1cn2ccsc2n1 95353410 LWZBJKFWOVLCAH-HNNXBMFYSA-N 366.402 2.529 0 50 FFAA CCCn1cc(NC(=O)N[C@@H](C)c2cnn(-c3ccc(OC)cc3)c2)nn1 95509677 BDQFXDGASZMTDI-ZDUSSCGKSA-N 369.429 2.765 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)C1 91605113 STMURXYITSWAIK-CYBMUJFWSA-N 362.861 2.524 0 50 FFAA CCc1ocnc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C 92078786 ILZGZPPKQUIONU-UHFFFAOYSA-N 371.485 2.606 0 50 FFAA COc1ccc2[nH]c(CCN(C)Cc3nc(-c4ccncc4)no3)nc2c1 244874894 XJDBFYPAIFITJK-UHFFFAOYSA-N 364.409 2.691 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3ncccc3c2)[C@H]2C[C@@H](O)C2)cn1 244872775 WEEMQQXJHXDYAY-QKLQHJQFSA-N 363.417 2.880 0 50 FFAA COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1O 244882694 XWQIPRMIILFZNN-YRNRMSPPSA-N 369.417 2.578 0 50 FFAA COc1ccc(NC(=O)CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1Cl 244646869 GQNAGGHCODXVOW-LBPRGKRZSA-N 363.849 2.593 0 50 FFAA Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCc4c(F)cccc43)c(C)c12 183726028 ZINDIVRQCXEAPE-UHFFFAOYSA-N 368.412 2.539 0 50 FFAA COC[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ccnn1C 252497517 QJUDOSMFJGUKHP-IBGZPJMESA-N 370.497 2.526 0 50 FFAA O=C(Nc1ccc(-c2ccn[nH]2)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 299755955 GPCYPOFGDJBRBF-SFHVURJKSA-N 369.469 2.842 0 50 FFAA CN1CCC(O)(CNC(=O)Nc2cccc(Cc3ccccc3)c2)CC1 299795320 MAUVHGAEYFTRJG-UHFFFAOYSA-N 353.466 2.856 0 50 FFAA COCCCn1cnnc1CNC(=O)Cc1coc2c(C)c(C)cc(C)c12 824396421 MDNWRBDENDYCKI-UHFFFAOYSA-N 370.453 2.845 0 50 FFAA COc1nn(C)cc1C(=O)NCC(C)(C)c1coc(-c2ccccc2)n1 1875296632 GSAPUITWCFJLNS-UHFFFAOYSA-N 354.410 2.791 0 50 FFAA O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1ccc2c(c1)C(=O)NC2=O 1875264745 RJFMUBXVWJFDRW-ZDUSSCGKSA-N 354.328 2.811 0 50 FFAA CC[C@@H](C)c1cn2c(n1)CN(C(=O)Cn1ccc(C(F)(F)F)n1)CC2 1875296334 QWMKYXRFAQSLMJ-LLVKDONJSA-N 355.364 2.654 0 50 FFAA Cc1cc(CN2CCc3c(CC(N)=O)cccc3C2)nn1-c1ccccc1 1875308171 SPQXCFMMZIXUOZ-UHFFFAOYSA-N 360.461 2.767 0 50 FFAA CCC[C@H](OC)C(=O)NCC1(NC(=O)Cc2ccc(C)cc2Cl)CC1 1875345157 UATHARALPBUPPK-INIZCTEOSA-N 366.889 2.771 0 50 FFAA CC(C)(CNc1ncc(Br)c2ccncc12)[C@@]1(O)CCOC1 1875319329 XOEPFQYVPQWNGV-MRXNPFEDSA-N 366.259 2.982 0 50 FFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(NC(=O)c3ccccc3)cc2)cn1 1875384326 FDTWTTXWNORIBF-UQBPGWFLSA-N 362.433 2.936 0 50 FFAA c1ccc(-n2cc(CN3CCN(c4nc5ccccc5o4)CC3)nn2)cc1 72126709 QSSZPBMZULWZEG-UHFFFAOYSA-N 360.421 2.731 0 50 FFAA CO[C@@H]1Cc2ccccc2N(C(=O)c2cc(Cn3cccn3)on2)[C@H]1C 886084628 RVMJIEWOMGUDAU-SCLBCKFNSA-N 352.394 2.526 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(-c3ccco3)on2)C1 888103042 BHNWRFPSDFBIST-OCCSQVGLSA-N 356.382 2.877 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Cc1cccc(O)c1 1565515702 HRNOMYPUUNGPEH-MJGOQNOKSA-N 364.445 2.698 0 50 FFAA CC(C)(C)NC(=O)N1CCC(NC(=O)c2cccc([C@H]3CCOC3)c2)CC1 271901161 AQDCDWCLWVFUII-KRWDZBQOSA-N 373.497 2.893 0 50 FFAA CN(C(=O)CCOc1ccc(Br)cc1F)C1CCNCC1 170048110 IHNLKYKQLRGAFZ-UHFFFAOYSA-N 359.239 2.568 0 50 FFAA CCCS(=O)(=O)[C@H](C)C(=O)n1ccc(C)c/c1=N\C1CCCCC1 170626326 YKKAXXHKFXNKQK-QFPXGYFVSA-N 352.500 2.883 0 50 FFAA Cc1cc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)nc(N)n1 741241864 CRMWXEKQCSORFY-UHFFFAOYSA-N 365.481 2.775 0 50 FFAA CC(C)n1cnc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 281120589 DFURZAWBELFHIC-UHFFFAOYSA-N 353.426 2.584 0 50 FFAA O=C(c1c[nH]c(=O)c2ccccc12)N1CCN(Cc2cccc(F)c2)CC1 188425421 WBZOJJHDYQDHJI-UHFFFAOYSA-N 365.408 2.625 0 50 FFAA Cn1ncc(C(=O)NC[C@]2(O)CCc3ccccc32)c1Cc1ccccc1 225548928 DBLUXKQQGMWVIE-JOCHJYFZSA-N 361.445 2.575 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529101257 BAGHKUCUKJXEMZ-WIYYLYMNSA-N 363.461 2.948 0 50 FFAA CC[C@H](C)Cc1nc(Cc2ccc3c(c2)OCO3)n(-c2cnn(C)c2)n1 1772804767 TYDWXDGRUMESOP-ZDUSSCGKSA-N 353.426 2.909 0 50 FFAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCN(C2CCCC2)CC1 12199600 CWQRTTWGGVLPDI-UHFFFAOYSA-N 373.888 2.680 0 50 FFAA O=C(c1cn(C2CCCCC2)nn1)N1CCN(c2ccc(F)cc2)CC1 12434560 ZGCJPLABLUWIFC-UHFFFAOYSA-N 357.433 2.885 0 50 FFAA Cc1c(CC(=O)NC(C)(C)CO)c2c(n1Cc1ccccc1)CCCC2=O 12437989 JWDADVFXKIDSIW-UHFFFAOYSA-N 368.477 2.793 0 50 FFAA O=C(Cn1cccn1)N1CCC([C@H]2CCN(CCc3ccccc3)C2)CC1 19745673 MTQGWMZTNZKVRB-NRFANRHFSA-N 366.509 2.686 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(CC2CCC2)CCO3)c(C)o1 1857693461 XVIFBSDPQBVKGS-UHFFFAOYSA-N 374.481 2.920 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCNCC1 1857708310 MZFQEBBUMFOLGL-ZDUSSCGKSA-N 362.861 2.520 0 50 FFAA O=S1(=O)CCC(n2ccnc2-c2cc3c(cc2Cl)OCO3)CC1 1857730791 XPAOYPCYKLLNJT-UHFFFAOYSA-N 354.815 2.682 0 50 FFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cccc3nccnc13)C2 219283647 ZIFMGDDITOSZHP-CVEARBPZSA-N 364.449 2.659 0 50 FFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cnn2ccc(C)nc12 119051015 DOWDXVGHDFLBJT-OAHLLOKOSA-N 350.422 2.896 0 50 FFAA CC(=O)Nc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cc1 248023872 JWIKFEDLHIZSAH-QUCCMNQESA-N 367.497 2.773 0 50 FFAA Cc1cc(C)c2cc(C(=O)N[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)[nH]c2c1 2325785723 KSFWOVQZDSWWQJ-POZUXBRTSA-N 352.438 2.551 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)N1CCC(C)(NC(=O)CC2(COC)CC2)CC1 2325793104 FQEPGFIPHJZEMG-CRAIPNDOSA-N 350.503 2.737 0 50 FFAA NC1(c2nccc(C(=O)Nc3cccc(Cl)c3-n3cccn3)n2)CC1 2325858880 FISIUAIVJSAOGO-UHFFFAOYSA-N 354.801 2.516 0 50 FFAA CNC[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 896507 OCUJLLGVOUDECM-ZDUSSCGKSA-N 351.443 2.842 0 50 FFAA world COc1cccc(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)c1 1128093 LAZKGNTYEFSGCS-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O 2145068 RFWQOKDGSGXSCY-YJBOKZPZSA-N 352.390 2.961 0 50 FFAA biogenic COc1ccc(OC)c(NC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356149317 UPWLDXLTWJEDGA-HXUWFJFHSA-N 373.453 2.855 0 50 FFAA COC(=O)c1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1 2915772 OPKNKNHKKAJBBA-YVLHZVERSA-N 364.426 2.860 0 50 FFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccccc3)CC2)c1C 4057059 BFYCACDKIKOKNX-UHFFFAOYSA-N 355.438 2.771 0 50 FFAA O=C(O)c1ccccc1C(=O)NC[C@@H](O)COc1ccc2ccccc2c1 4351228 VUGJFKSCACJREA-MRXNPFEDSA-N 365.385 2.708 0 50 FFAA CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C)ccc2C)n1 4839444 BFCJVQVGPMQWTR-UHFFFAOYSA-N 353.831 2.793 0 50 FFAA COc1ccccc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 4842247 HPJFRXIPLXNLRL-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA CCc1nc2n(n1)C[C@@H](NC(=O)c1cnc(-c3ccsc3)s1)CC2 114867744 USUILINNWHOUEH-NSHDSACASA-N 359.480 2.770 0 50 FFAA COc1ccc(OC)c(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1 20598730 BGEPRYUOJFSAPR-SFHVURJKSA-N 374.481 2.674 0 50 FFAA O=C(CN1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 54530103 NUMJBHRNUKEVEB-UHFFFAOYSA-N 353.441 2.533 0 50 FFAA CC[C@@H](C)N(C(=O)c1cc(S(N)(=O)=O)ccc1OC)C1CCCC1 55132210 PFQBPWJAJABJCQ-GFCCVEGCSA-N 354.472 2.526 0 50 FFAA O=c1cc(-c2ccc(O)cc2)nc(-c2ccc(CN3CCOCC3)cc2)[nH]1 20452748 MZKYKMKFZWDPCU-UHFFFAOYSA-N 363.417 2.642 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 252005721 XPBCFZRKHIMRFR-ZBFHGGJFSA-N 358.511 2.931 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NCC1(CF)CCOCC1 331630214 SJNJSKOYOSFRFC-RYRKJORJSA-N 356.482 2.868 0 50 FFAA COCCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67739473 FDVFTQGQPPEOSF-UHFFFAOYSA-N 362.813 2.865 0 50 FFAA C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 121052318 YBJSSAHDLAFNNF-GFCAVMEOSA-N 357.542 2.817 0 50 FFAA Nc1nc2c(c(C(=O)N3CCC([C@H](O)c4cccs4)CC3)n1)CCCC2 1506425848 SELBADASOHAJJY-KRWDZBQOSA-N 372.494 2.585 0 50 FFAA Cc1c(C(=O)Nc2ccc(F)cc2F)cccc1N(C)S(C)(=O)=O 65363531 RLSBJYVURDSJFL-UHFFFAOYSA-N 354.378 2.921 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)/C=C/c2ccc(C)cc2)cn1 328638396 WIFXRLICZSFABB-QWXXHLNBSA-N 361.467 2.632 0 50 FFAA O=C(O)c1ccc2c(c1)n(CCCCO)c(=O)n2CCc1ccccc1 65528338 YPOQFDRTELKDRV-UHFFFAOYSA-N 354.406 2.516 0 50 FFAA COc1cc(F)c(CN2CCN(c3ccc(C(C)=O)cn3)CC2)c(F)c1 65506293 PTHYWOSWVLKACZ-UHFFFAOYSA-N 361.392 2.893 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)Cc3ccccc3O)CC2)OC1=O 72457682 DFAIXJFKFCMQML-HNNXBMFYSA-N 360.454 2.937 0 50 FFAA O=C(N[C@H]1COC2(CCNCC2)C1)c1cc(C(F)(F)F)ccc1Cl 215759840 HPJDKZVQIOKOIT-LLVKDONJSA-N 362.779 3.000 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](CN2CCC(Nc3cccnn3)CC2)C1 283580633 PBWQKNHXUQORBL-QGZVFWFLSA-N 365.481 2.515 0 50 FFAA O=C(CCCc1nc(-c2ccncc2)no1)N1CCC[C@H](c2ncc[nH]2)C1 77470155 JPXXFEKFPMCGDV-HNNXBMFYSA-N 366.425 2.584 0 50 FFAA COC(C)(C)C[C@@H](C)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 368633922 BWCXPJHEPMXJRI-CQSZACIVSA-N 357.458 2.539 0 50 FFAA CCc1nc(C(=O)N2CCC[C@H](CCC(=O)O)C2)nn1-c1ccccc1 263099407 IQJHCIGHMKZHHX-CQSZACIVSA-N 356.426 2.547 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)CNc3nc4ccccc4s3)C2)n1 77377009 OCOWXGSQMLPUJM-AWEZNQCLSA-N 355.467 2.995 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)Cn2cnc3ccccc32)cc1 219154423 QHROQEMUSDYASH-UHFFFAOYSA-N 361.405 2.751 0 50 FFAA Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1 72428076 RYAVEIICFALMMK-CYBMUJFWSA-N 368.462 2.692 0 50 FFAA COc1cccc(CCNC(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)c1 239672527 BTQBOAUXSMLAKS-MRXNPFEDSA-N 354.450 2.950 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1=O 82109600 FKUUFKUBZZTNCK-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA CC(C)c1nc([C@@H]2CCCN2C(=O)NCc2ccc(CO)c(F)c2)no1 177473412 WLHVCLDGNGTUQH-HNNXBMFYSA-N 362.405 2.871 0 50 FFAA CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)nn1 48112457 DBUUQKBPCFRCQV-HNNXBMFYSA-N 370.453 2.758 0 50 FFAA Cc1cccc2nc(CCNC(=O)N(Cc3cnn(C)c3)C3CC3)[nH]c12 426734486 MTCOFJHCICEXOU-UHFFFAOYSA-N 352.442 2.522 0 50 FFAA Cc1ccc2[nH]c(CCC(=O)N3CCC(c4ncn[nH]4)CC3)nc2c1C 221261556 OTMFMHQKTAJAET-UHFFFAOYSA-N 352.442 2.637 0 50 FFAA O=C(NCC(c1ccccc1)c1ccccc1)NC[C@H](O)CN1CCCC1 426491043 MFYSSJHBJFXZJS-FQEVSTJZSA-N 367.493 2.574 0 50 FFAA COc1cc(C(=O)N(C)Cc2cccc3cnccc23)ccc1OCCN 426641516 YRIPZPOJAZVENS-UHFFFAOYSA-N 365.433 2.853 0 50 FFAA COc1cccc(N2CCN(C(=O)NCc3ccc(C)o3)[C@@H](C)C2=O)c1 426395385 OBEJJVKMPFACRO-AWEZNQCLSA-N 357.410 2.544 0 50 FFAA CN1CCN(C2(CNC(=O)N(C)Cc3cccs3)CCCCC2)CC1 426527048 VHOQBECBQZFJLY-UHFFFAOYSA-N 364.559 2.840 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)CCS(=O)(=O)c2ccccc2)n1 220463498 DUZWLPXNCZUEGM-LBPRGKRZSA-N 352.481 2.535 0 50 FFAA C[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1nc(-c2cccnc2)no1 426722405 IGWIWZQLRMZGNP-GFCCVEGCSA-N 367.413 2.505 0 50 FFAA COc1ccccc1CN(C(=O)c1ccn2nnnc2c1)C1CCCC1 97638011 WZTMZEBZAJHAQR-UHFFFAOYSA-N 351.410 2.718 0 50 FFAA Cc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)nc(-c2ccccc2O)n1 91289095 RVJNJWHXSYYGAI-IBGZPJMESA-N 354.410 2.579 0 50 FFAA CSc1ccccc1[C@@H](C(=O)O)N1CCN(Cc2cccnc2)CC1 95363129 APHOMWXKLCJVIZ-SFHVURJKSA-N 357.479 2.747 0 50 FFAA CCO[C@H](C)c1nc(Cn2cncn2)nn1-c1ccc2nc(C)sc2c1 96138048 BSZTVSJXPHNKQU-LLVKDONJSA-N 369.454 2.923 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(Cc1cnn(C)c1)CC(C)C 95519770 JXFICRREQUHUNZ-UHFFFAOYSA-N 366.465 2.728 0 50 FFAA COc1cccc2c1OC[C@@H](CNC(=O)CCc1cc(Cl)no1)C2 95526706 VECGRSHEJOCUCT-LLVKDONJSA-N 350.802 2.637 0 50 FFAA CCn1ncc(C(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)c1C 97272341 IASLYJQLJZIUJL-FQEVSTJZSA-N 364.449 2.982 0 50 FFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(N[C@H]3CC[C@H](O)CC3)nc2)C1 244595034 DNKIBHQFGBEMKW-BHIYHBOVSA-N 374.529 2.505 0 50 FFAA CCN(CC)c1ccc([C@H]2[C@H](C(C)=O)[C@](C)(O)CC(=O)[C@H]2C(C)=O)cc1 245231969 NBLIITIVEKGZFS-MXEMCNAFSA-N 359.466 2.751 0 50 FFAA CNC[C@H]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)C1 299739813 RNUWFGVWDZIKHW-QGZVFWFLSA-N 354.450 2.826 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@H]1CCN(c2ccc(Cl)cc2)C1 184419571 RPZNOFQGHSSVIU-ZDUSSCGKSA-N 356.817 2.783 0 50 FFAA O=C(CCCc1cn[nH]c1)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 252522845 BHGBKMZEILRZTI-PLMTUMEDSA-N 364.449 2.909 0 50 FFAA COc1cc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](CC(=O)O)C1 269054386 WVYHGCOQZUIJKM-ZDUSSCGKSA-N 361.419 2.739 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC(=O)OC23CCCCC3)c1C 299758458 LHSBKPGJOPBLET-HNNXBMFYSA-N 360.454 2.931 0 50 FFAA CSCc1nc(CNC(=O)N2CCC[C@@H](c3ccncn3)C2)cs1 584900338 BROGZJQJMFPTSF-GFCCVEGCSA-N 363.512 2.885 0 50 FFAA C[C@@H](NC(=O)c1ccccc1-n1cncn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 670466945 LLERVDBEWMNHHB-OJYSUCSVSA-N 366.465 2.717 0 50 FFAA CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@]2(C)[C@@H](C1)C2(F)F 868506478 MIFOJBXQHAQRQG-IIDMSEBBSA-N 366.408 2.848 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CC(C)(C)Oc3ccccc32)CC1 1875365850 AHTIOJMEHQEWAZ-INIZCTEOSA-N 356.466 2.872 0 50 FFAA CC(C)(C)OC(=O)N1CCC[C@@]1(CNCCOCCO)c1ccccc1 1875340041 JEBLWNKLFSCPNX-HXUWFJFHSA-N 364.486 2.511 0 50 FFAA CCOC(=O)c1csc([C@H](C)NC(=O)Cc2cnc3c(C)cccn23)n1 1875300950 XFUCREFBFWMLFB-LBPRGKRZSA-N 372.450 2.696 0 50 FFAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CCCN(Cc2ccco2)C1 952989068 HBFBFSYYHOJURV-KRWDZBQOSA-N 366.421 2.858 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C2)ccn1 886095381 UIXJYCVLYLWVGT-QGZVFWFLSA-N 354.454 2.642 0 50 FFAA O=C1CC[C@@H](Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)CCN1 888102608 NZWMOAZQYXCJQA-LLVKDONJSA-N 354.328 2.816 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cc(C(F)(F)F)n[nH]1 1565526356 IYTNWOFCMDVJHZ-JSGCOSHPSA-N 369.343 2.533 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cc4c(cc3Cl)OCO4)C2)N1CC1CC1 1565528982 LBOONAIQCCQSRR-HIFRSBDPSA-N 362.857 2.902 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1CCN(c3ccccc3F)C1=O)CO2 185835869 IHSOXFXYQNWKSZ-WBVHZDCISA-N 368.408 2.840 0 50 FFAA CN(C[C@@H]1CCCO1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 186408733 OVTWUDPCHPXOLL-INIZCTEOSA-N 360.841 2.801 0 50 FFAA CN(C)C(=O)c1cccc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1 278819275 IHHXIKSRQSKXOV-QGZVFWFLSA-N 357.429 2.966 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1CO 189183567 UDXOPRFOGFRLND-BDAKNGLRSA-N 357.781 2.608 0 50 FFAA O=C(NCCN1CCc2ccccc2C1=O)c1sccc1-n1cccc1 190153529 VLFUGTXUVLOABH-UHFFFAOYSA-N 365.458 2.967 0 50 FFAA Cc1ccc(C)c(-n2cnc3cc(C(=O)N4CCNC(=O)[C@@H]4C)ccc32)c1 191816575 MDFZADUZGVOROV-HNNXBMFYSA-N 362.433 2.603 0 50 FFAA COc1ccc(OCCS(=O)(=O)Cc2nc(C)c3ccccc3n2)cc1 195040244 CNWPLKCYEOAFKQ-UHFFFAOYSA-N 372.446 2.941 0 50 FFAA CC(C)n1cnnc1CN(C)S(=O)(=O)Cc1ccc(Cl)cc1F 1506422554 CTNYQRQAIZLASM-UHFFFAOYSA-N 360.842 2.613 0 50 FFAA NC(=O)CCN(CCc1ccccc1)C(=O)Cc1ccc(O)c(Cl)c1 1506409454 HNCVUUSUSDZSAA-UHFFFAOYSA-N 360.841 2.535 0 50 FFAA Cc1cc(C)n(Cc2cc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)n[nH]2)n1 211049241 MZMDNMLGVOZUEH-ZOBUZTSGSA-N 351.454 2.603 0 50 FFAA CSc1ccc(CN2CC[C@H](N(C)CCc3ccccn3)[C@@H](O)C2)cc1 212843360 WLGCUCGSXNSSDI-SFTDATJTSA-N 371.550 2.913 0 50 FFAA COc1ccccc1-c1cc(CNC(=O)c2cc(O)cc(C(=O)O)c2)on1 1772709958 KWJYFMWIWZZKOH-UHFFFAOYSA-N 368.345 2.684 0 50 FFAA Cc1ccc([C@@H](C)CCN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)o1 12039939 YPSPKWMYLZMINL-AWEZNQCLSA-N 371.485 2.902 0 50 FFAA COc1ccc(CN2CCOc3ccc(CN4CCOCC4)cc3C2)cc1 12157968 XNPYYHONECNOOU-UHFFFAOYSA-N 368.477 2.922 0 50 FFAA Cc1noc(C)c1CCCNC(=O)c1ccc(N[C@H]2CCSC2)nc1 14979207 ASKKXVYQONAYIP-HNNXBMFYSA-N 360.483 2.966 0 50 FFAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CCOCC2)nc1 19113219 UXKHUDCLQXZJER-UHFFFAOYSA-N 362.433 2.739 0 50 FFAA Cc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c(C)c1 19790723 PLBIBSXYGPEYIV-NRFANRHFSA-N 354.494 2.861 0 50 FFAA COc1ccc(-c2nc(CN(C)Cc3nnc(C)o3)c(C)o2)cc1OC 19839210 RJSGWUVLJJVSRR-UHFFFAOYSA-N 358.398 2.991 0 50 FFAA CCc1cc(CC)c(S(=O)(=O)NC(=O)Cc2cscn2)c(CC)c1 853129801 RQWFBEVBUJYDJN-UHFFFAOYSA-N 366.508 2.878 0 50 FFAA COc1ccc(Cl)c(S(=O)(=O)N2CCN(C)Cc3ccccc32)c1 112362304 KJUHTYRAIWFYGA-UHFFFAOYSA-N 366.870 2.989 0 50 FFAA O=C(O)c1ccccc1-c1ccccc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 262901848 IUAXRTXBBGYYTB-CYBMUJFWSA-N 364.401 2.545 0 50 FFAA COc1c(F)cccc1CN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704353207 BXMXGCXBTWIGSU-RXVVDRJESA-N 373.424 2.715 0 50 FFAA C[C@@]1(C(=O)Nc2cccc(Br)c2)CC(=O)N=C2C=CC=CN21 4745198 ZAVZBLYWXQXMQJ-INIZCTEOSA-N 360.211 2.861 0 50 FFAA CC(C)CCN1C(=O)[C@@]2(CCN(C(=O)c3cn(C)cn3)C2)c2ccccc21 2100534274 AIXJYWIDKUHQCT-OAQYLSRUSA-N 366.465 2.597 0 50 FFAA Cc1nc2ccc(-c3cccc(CN4CCC(O)CC4)c3)cc2c(=O)n1C 2325807085 ZAQAKAMLGFFTKY-UHFFFAOYSA-N 363.461 2.866 0 50 FFAA Cc1ncccc1C(=O)NC[C@H]1CCN1C(=O)c1ccc2cccnc2c1 2325870875 SQGAYZIWFAGPPR-QGZVFWFLSA-N 360.417 2.583 0 50 FFAA O=C(OCCc1ccccc1CO)[C@@H]1CCCCN1C(=O)c1ccccc1 2325871046 ZSUVWPCEISTPHC-FQEVSTJZSA-N 367.445 2.960 0 50 FFAA COc1cccc2cc(CNC(=O)Cc3cn4c(C)cncc4n3)oc12 2325878021 BWJJQTQLEYFCGC-UHFFFAOYSA-N 350.378 2.651 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3cccc(OC)c3)CC2)C1 2325888492 YDUQRSWFAYYXJP-GOSISDBHSA-N 356.466 2.826 0 50 FFAA O=C(O)[C@@H]1COCCN1C(=O)CN1c2ccccc2Sc2ccccc21 864118728 MCULCKLKECVQKV-HNNXBMFYSA-N 370.430 2.601 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)Nc2nc(C3CCOCC3)ns2)cc1 876003391 MGZSXPNOTDAYKZ-UHFFFAOYSA-N 358.423 2.809 0 50 FFAA Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)no1 910359435 WNWJIMCJEJKEKJ-AJYWROEXSA-N 371.437 2.528 0 50 FFAA COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 803228 QPSYGVUWJXVOLW-UHFFFAOYSA-N 369.446 2.984 0 50 FFAA COc1cc(C(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc(OC)c1OC 893234 IHBIFAFLCFSOQP-MRXNPFEDSA-N 374.481 2.827 0 50 FFAA CC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 1115553 VMJKLOZUSYUIOR-UHFFFAOYSA-N 374.462 2.911 0 50 FFAA CC(C)c1cc(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)on1 2356142377 PONXZJGCSJXQRE-UHFFFAOYSA-N 360.439 2.950 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(OC)c(OC)c2Cl)CC[C@H]1O 2356157580 MDVKVGICXKNCEI-RDTXWAMCSA-N 371.861 2.795 0 50 FFAA CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 2924579 NCOPRFHQZHLUSM-UHFFFAOYSA-N 352.843 2.671 0 50 FFAA NC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CCC(=O)O 4242301 AKEGBXSYBBSAOX-UHFFFAOYSA-N 352.799 2.971 0 50 FFAA COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 4867754 WYBNAPFYOQRMER-UHFFFAOYSA-N 359.407 2.532 0 50 FFAA O=C(NC(=S)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 10451157 DVQNKOIBZZCQIL-UHFFFAOYSA-N 353.491 2.956 0 50 FFAA COCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)C1CCCCCC1 23158375 ZGCBHBPJLOHYIX-UHFFFAOYSA-N 371.547 2.866 0 50 FFAA Cc1ncc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)s1 22920048 KKEVPAMMRYIDRH-HNNXBMFYSA-N 367.465 2.799 0 50 FFAA c1cc2c(cc1-c1nc(CN3CCC4(CC3)OCCO4)cs1)OCO2 55562749 KOILYBHYWZBWKJ-UHFFFAOYSA-N 360.435 2.878 0 50 FFAA CN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 65364808 CKQSEVRQLQVFGR-UHFFFAOYSA-N 358.463 2.743 0 50 FFAA CCn1ncc(NC(=O)Cn2ncc3cc(-c4cccc(N)c4)ccc32)n1 63872283 SAGPCUZTKLBZGF-UHFFFAOYSA-N 361.409 2.536 0 50 FFAA NC(=O)c1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 21524007 DTUVSDRVZHLOKP-UHFFFAOYSA-N 356.407 2.858 0 50 FFAA Cc1ccc2ncccc2c1CNC[C@@]1(O)CCCN(CC2CCC2)C1=O 67643665 XOKHNQHMZYBHLE-QFIPXVFZSA-N 367.493 2.786 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)CCCc3ccccc3)CC2)n1 67620865 RYFIOGXNRMPCIZ-UHFFFAOYSA-N 367.497 2.888 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 125511362 URLSZBQFOFYZHT-SJLPKXTDSA-N 371.460 2.530 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C 1401373 BJDROABLKJLEAV-ZDUSSCGKSA-N 350.415 2.748 0 50 FFAA Cn1ccnc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 12316948 OIYDSDWYSULZIE-HXUWFJFHSA-N 356.445 2.688 0 50 FFAA CCCn1ccnc1CNc1nc(-c2ccco2)nc2c1CCNCC2 72478205 ZEPLKNMNEVKDAF-UHFFFAOYSA-N 352.442 2.643 0 50 FFAA COc1ccc(CN(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328626223 DWUCGGVAZBEAMN-CYBMUJFWSA-N 354.376 3.000 0 50 FFAA Cc1c(CNC(=O)Nc2ccn(CCN(C)C)n2)oc2ccc(F)cc12 173913740 MZVUJCGSJOZHPO-UHFFFAOYSA-N 359.405 2.960 0 50 FFAA CCCC[C@H]1CN(C(=O)/C=C2\SC(=O)NC2=O)Cc2ccccc2O1 11787825 PNZDMJJSYTWOKO-GRRFOWRYSA-N 360.435 2.833 0 50 FFAA COCc1noc(CCNc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72418482 MWUHNOUXQOPQQS-UHFFFAOYSA-N 364.409 2.889 0 50 FFAA CC[C@@H](Cn1ccnc1-c1ccc(-n2ccnc2)cc1)N1CCOCC1 77426894 WWIVBGYSYGOAMN-SFHVURJKSA-N 351.454 2.847 0 50 FFAA N=C(O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3C[C@@]34CCOC4)cc2)C1 329633278 WOOVPWXGABDQHV-OXFYSEKESA-N 357.454 2.799 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c(C)c1 72139264 FWKJUKFUOWGCNJ-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cc1nc(Cn2nnc(NC(=O)N3CCCC4(CCCCC4)C3)c2C)no1 284795444 HJHXJMZRAMPPER-UHFFFAOYSA-N 373.461 2.904 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@H]3CN(Cc4coc(C)n4)CC[C@H]32)o1 72481025 KXWHSRGUQZNMBO-QFBILLFUSA-N 357.454 2.940 0 50 FFAA Cc1csc(NC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1 378556005 ZAXVHWUCWVMWGJ-ZDUSSCGKSA-N 372.429 2.986 0 50 FFAA CC[C@@H](C)[C@H](NC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1)C(=O)O 218187551 ULUVSAUIWNKOPX-DIFFPNOSSA-N 370.409 2.766 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccnc2)C1 72426691 XGTIRJVBZMRAAC-GOSISDBHSA-N 354.502 2.576 0 50 FFAA Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc(O)nc(C(C)C)c1 129008685 VWGXDEFOHWDIEM-SFHVURJKSA-N 353.422 2.532 0 50 FFAA CCOc1ccc(-c2ccnc(N3CC[C@@H](COC)C3)n2)cc1C(=O)O 72409227 SAQXTTPXKYPWRY-CYBMUJFWSA-N 357.410 2.713 0 50 FFAA CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 133496816 BJUAYKIUMFKCMI-QZTJIDSGSA-N 353.422 2.605 0 50 FFAA CNc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)ccn1 72436736 AOOKHQMJMBYQDK-UHFFFAOYSA-N 352.482 2.904 0 50 FFAA COc1coc(CN2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)cc1=O 77357497 COIPNKBRPCMHEG-NRFANRHFSA-N 374.481 2.796 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCCC[C@@H]4C)nc3c(=O)n2C)c(C)o1 72478122 ZSYARVVMKXAEDI-LBPRGKRZSA-N 368.437 2.924 0 50 FFAA Cc1nn(CCC(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c(C)c1C 72152355 LIRYXWHYDYEZPH-LJQANCHMSA-N 374.529 2.694 0 50 FFAA CN(c1ccccc1)C1CCN(C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 175846222 KHASKPCLIVLGKE-KRWDZBQOSA-N 356.514 2.781 0 50 FFAA CCN(CC)c1ccc(-c2ccc(C(=O)N[C@H]3CCNC3=O)cc2)cc1 426573295 PIZQRVBINIOETF-IBGZPJMESA-N 351.450 2.818 0 50 FFAA CCCc1cc(C(=O)N2CCC(n3cc(CC(C)C)nn3)CC2)n(C)n1 48080965 IEPPKNGXHNDXHN-UHFFFAOYSA-N 358.490 2.640 0 50 FFAA O=C(CCn1ccnc1)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 426734508 NKOXQGMWHJVUDF-UHFFFAOYSA-N 363.465 2.993 0 50 FFAA Cn1ncc2cc(-c3cccc(C(=O)N4CCC[C@H](C(N)=O)C4)c3)ccc21 426428201 CNNIQMUYAKUQHJ-KRWDZBQOSA-N 362.433 2.578 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CSc1nnc(C2CCNCC2)n1C 426690367 XGOVKIVHMMQREW-UHFFFAOYSA-N 372.420 2.692 0 50 FFAA CC(C)c1csc(CCNC(=O)c2ccc3c(c2)ncn3CCO)n1 426563078 PYMCCXSTSFJWSL-UHFFFAOYSA-N 358.467 2.581 0 50 FFAA O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccccc1Cl 239433422 XQTMZTLWLKIUCR-UWTIAYHASA-N 370.836 2.722 0 50 FFAA Cc1cc(C(=O)N2CCCn3nc(CCC(=O)NC4CC4)cc3C2)cs1 91593229 DCQROMSWAWQFBF-UHFFFAOYSA-N 372.494 2.510 0 50 FFAA Cc1ccccc1[C@@H](C(=O)NCc1csc(-c2ncccn2)n1)N(C)C 95497328 ZJBKFXISBQMMST-INIZCTEOSA-N 367.478 2.828 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1 95510532 HRHUIAHOXXUDTA-HNNXBMFYSA-N 354.458 2.535 0 50 FFAA O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1COCCN1 237888459 RWZRIZXJRGFNFV-ZDUSSCGKSA-N 371.384 2.680 0 50 FFAA COc1ccc2c(C)c(C(=O)NCCc3noc([C@@H]4CCCO4)n3)oc2c1 91305516 PMUWQEOIRUQVNY-AWEZNQCLSA-N 371.393 2.957 0 50 FFAA Cc1ncncc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95524566 XIIMGNMNUREHFC-AWEZNQCLSA-N 368.466 2.506 0 50 FFAA CCCCN(Cc1cccnc1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 91644761 IXFNIVNKCWDMEI-UHFFFAOYSA-N 364.449 2.824 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCc3nc(C)c4c(n3)CCCC4)[nH]n2)o1 92046689 FXARJNQOKAICRO-UHFFFAOYSA-N 351.410 2.885 0 50 FFAA CN1CCC(CN(CCc2ccccc2)C(=O)C(=O)c2cccnc2)CC1 95497320 XDUPMKJHRCTIOP-UHFFFAOYSA-N 365.477 2.677 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccc4occc4c3)CC2)CN1CCCO 91736707 PUMXPWYKMKLMPB-UHFFFAOYSA-N 370.449 2.660 0 50 FFAA Cc1ccccc1[C@H](C(=O)NC1CCN(C(=O)CC(C)C)CC1)N(C)C 95517831 XLGXBGRVCAYNBM-HXUWFJFHSA-N 359.514 2.751 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)c2ccc[nH]2)CC1 91695161 LETNIMVKHUFKEV-UHFFFAOYSA-N 370.501 2.539 0 50 FFAA CSCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 95390209 MZZLAHWSBVOWFT-KRWDZBQOSA-N 360.523 2.994 0 50 FFAA CCCc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)nc(C)n1 95523975 UIUTWBFAKMKFRV-QFBILLFUSA-N 365.481 2.760 0 50 FFAA COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1 245256782 STOBRSJMJNWINW-KDOFPFPSSA-N 357.454 2.650 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cc2ccccc2nc1O 299753759 ZFUMTDNEOZKCTF-XKQJLSEDSA-N 354.406 2.727 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nc(-c2ccoc2)no1 268938419 JDCPTIKURAPWJV-BNOWGMLFSA-N 359.382 2.507 0 50 FFAA CC[C@H](CNC(=O)N(C)Cc1nc2ccccc2n1C)N1CCCCC1 534581230 QWRPXIRFYMKVEQ-MRXNPFEDSA-N 357.502 2.979 0 50 FFAA CC(C)N1CCO[C@H](CC(=O)NCc2cc(-c3ccccc3F)no2)C1 299791261 CRTRTCWWZQLXJM-OAHLLOKOSA-N 361.417 2.596 0 50 FFAA Cc1csc([C@@H](C)CNC(=O)CCn2c(CO)nc3ccccc32)n1 299796676 NMVBWERXNBZMII-LBPRGKRZSA-N 358.467 2.604 0 50 FFAA CNC(=O)c1ccc(CNC(=O)Nc2cccc(N3CCCC3)c2C)o1 299800155 SXARERIKURORDO-UHFFFAOYSA-N 356.426 2.870 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(Cc2c(C)noc2C)CCO3)nc1 825195159 DDJBBMYGCUBZSH-UHFFFAOYSA-N 370.497 2.862 0 50 FFAA C[C@@H]1CN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CCC1(F)F 869012365 OGBQPOVYJUFURL-UMVBOHGHSA-N 372.437 2.678 0 50 FFAA COc1nn(C)cc1C(=O)Nc1cccc(-c2noc(C(F)(F)F)n2)c1 1875313854 YZUPLNJBZYLOED-UHFFFAOYSA-N 367.287 2.750 0 50 FFAA CCCn1cccc1C(=O)N1CCC2(CC1)C[C@H](O)c1nn(CC)cc1O2 1875394507 KQKGXDRLJDPOPT-INIZCTEOSA-N 372.469 2.605 0 50 FFAA CC(C)n1cnc(C(=O)NCC[C@@H]2[C@H](C)CCCN2c2ncc(F)cn2)c1 1875302251 HBKGORAHLAKOFH-RHSMWYFYSA-N 374.464 2.818 0 50 FFAA O=C(Cc1ccco1)N[C@@H]1C[C@@H](Cn2ccnc2-c2ccccc2)C[C@H]1O 1875403396 VRAKCNMRARIXNR-ATZDWAIDSA-N 365.433 2.642 0 50 FFAA Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952976136 VAUAKCFGCWZQBB-UHFFFAOYSA-N 366.343 2.512 0 50 FFAA COc1cccc(N2C[C@@H](NC(=O)c3c(C)cccc3OC)CC2=O)c1 952976294 QXLDZMMQNGJDNW-AWEZNQCLSA-N 354.406 2.548 0 50 FFAA Cc1c(NC(=O)[C@H]2COc3ccccc3O2)cccc1-c1nncn1C 952872881 RBCCVLIMNRAMOO-QGZVFWFLSA-N 350.378 2.569 0 50 FFAA CC(C)(C(=O)N(CCc1ccccc1)Cc1cccnc1)N1CCOCC1 952872146 KZRBAXGFHSMMMK-UHFFFAOYSA-N 367.493 2.764 0 50 FFAA C[C@H]1Cc2cc(NC(=O)C3CCN(C(=O)c4cccnc4)CC3)ccc2O1 885604282 TZYHGIXQLHIGFO-AWEZNQCLSA-N 365.433 2.896 0 50 FFAA CN(C)c1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1 1565516279 ZSLKHXYJCBPULK-PMACEKPBSA-N 354.450 2.857 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 75927290 GQWLXFMTBFOYQS-CVEARBPZSA-N 368.433 2.860 0 50 FFAA Cc1ncc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)c(C(C)C)n1 185671896 XUSIASOKMZZSSV-CYBMUJFWSA-N 359.499 2.884 0 50 FFAA CC(C)c1noc([C@H](NC(=O)CCc2ccccn2)C2CCOCC2)n1 275448783 VYDZUXZJPTYGPE-QGZVFWFLSA-N 358.442 2.805 0 50 FFAA O=C(NCc1cccnc1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 276818970 FREOPYQAVUFBJN-QFBILLFUSA-N 366.396 2.800 0 50 FFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1c(O)nc3ccccc3c1C)CC2 170020932 QSJHKRPCJBOMOC-IRXDYDNUSA-N 370.449 2.641 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)s2)nn1-c1ccccc1 170591518 WGPVCUPXWJIYNW-UHFFFAOYSA-N 363.420 2.741 0 50 FFAA COc1cc(NC(=O)N2CCN(c3cc(C4CC4)n[nH]3)CC2)cc(OC)c1 186878795 ARLSKQLVNBOKSR-UHFFFAOYSA-N 371.441 2.658 0 50 FFAA Cc1nc2cc(C(=O)NCC3([S@](C)=O)CC3)ccc2n1-c1ccccc1 281700892 FFPIVPYOBXTFMX-SANMLTNESA-N 367.474 2.975 0 50 FFAA COc1ccc(-c2nc(CN3CCCNC(=O)[C@@H]3C)cs2)cc1OC 189266903 QOODUJQJEZYNRF-LBPRGKRZSA-N 361.467 2.538 0 50 FFAA Cc1ncc(CO)c(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1O 1506407979 ZUQRFVYOTODDPI-AWEZNQCLSA-N 352.438 2.844 0 50 FFAA CN(C)C(=O)CN1CCCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1704311092 XWSVAFZZDOEHKA-UHFFFAOYSA-N 362.474 2.550 0 50 FFAA CC(=O)N[C@H]1CN(Cc2cnc(NCc3ccccc3)nc2)C[C@@H]1C(C)C 216980139 IFWAJSVGQHRMKG-UXHICEINSA-N 367.497 2.681 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3oc(C)nc3C)C[C@@H]2NC(=O)C2CC2)cc1 219923495 LKBMNSQIAMUYAU-MSOLQXFVSA-N 367.449 2.734 0 50 FFAA COc1ccc(NC(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1Cl 1615736166 GQDHRZUVOYOPMH-HOCLYGCPSA-N 365.861 2.676 0 50 FFAA CC(C)NC(=O)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 11662362 VJJDEHSHJLZALZ-FQEVSTJZSA-N 369.553 2.855 0 50 FFAA CN1CCC[C@H](C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)C1 12053963 APYWBJYQVZJFOO-YOEHRIQHSA-N 369.440 2.649 0 50 FFAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 12380848 OBTSAVSJHDNYQJ-NSHDSACASA-N 359.813 2.936 0 50 FFAA COc1cc(/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)cc(OC)c1OC 13571165 DWOMDESJFAJYTE-SNAWJCMRSA-N 356.300 2.985 0 50 FFAA CN(C)S(=O)(=O)c1csc(C(=O)N2CCCc3ccccc32)c1 16650808 GBDLMTTUDYJGQR-UHFFFAOYSA-N 350.465 2.591 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3[nH]nc4c3C[C@@H](C)CC4)n1)CCNC2 19782228 OGKMKALZKBFXAP-JTQLQIEISA-N 350.426 2.601 0 50 FFAA O=S(=O)(C[C@@H](CN1CCCCC1)N1CCCCC1)c1ccccc1 19868896 FRIIXXSFULMALB-GOSISDBHSA-N 350.528 2.801 0 50 FFAA COc1ccc([C@H](O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1 169758094 GNJIWAXMVLXULW-QGZVFWFLSA-N 367.430 2.967 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)CC1 219601130 VYDBZTMQIRMLDF-GMBSWORKSA-N 371.506 2.850 0 50 FFAA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1)c1cccc2c1NCCC2 223122375 DXZBGUSRRXQVTK-WDYCEAGBSA-N 351.450 2.552 0 50 FFAA O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)C1(c2ccccc2F)CC1 265450617 OEVOYRNRGGVERN-MRXNPFEDSA-N 359.422 2.892 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(CN2CCCC2=O)cc1 265534074 BREKUPJPNOEFLC-SQNIBIBYSA-N 370.449 2.667 0 50 FFAA Cn1cc(-c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CC2CC2)ccc1=O 910456444 OPLPVPGIHLOELR-WBVHZDCISA-N 353.470 2.823 0 50 FFAA COc1ccc(Br)cc1[C@H](N)C(=O)Nc1cnccc1C 911626333 YBRJTZIFZNLYKE-AWEZNQCLSA-N 350.216 2.800 0 50 FFAA COc1cccc2c(C(=O)N[C@](C)(CO)Cc3ccc(Cl)cc3)cnn12 913740126 NYKYSXRFLIJRJT-IBGZPJMESA-N 373.840 2.720 0 50 FFAA C=CC(=O)NCCC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 836844947 HXEGBGAOMNUZFL-UHFFFAOYSA-N 359.426 2.568 0 50 FFAA CN([C@@H](CO)C(C)(C)C)S(=O)(=O)c1ccc(Br)s1 128437877 GULOXWAFFWIEMG-QMMMGPOBSA-N 356.307 2.538 0 50 FFAA Cc1c(C(=O)NC[C@H](C(=O)O)c2ccc(Cl)cc2)nn2c1CCCC2 2325812951 XDAGDYUDKAAQJQ-AWEZNQCLSA-N 361.829 2.779 0 50 FFAA CCOc1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1 827548 NASOALQVIOPXAS-UHFFFAOYSA-N 362.451 2.798 0 50 FFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3)c(=O)c2c1C 921202 WIOPSPKBSWMARM-UHFFFAOYSA-N 371.418 2.582 0 50 FFAA Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1 1049083 KXTZTICITJASQY-SFHVURJKSA-N 363.461 2.697 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1 1178669 XYOLACMJCGNQHD-UHFFFAOYSA-N 372.490 2.808 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(OC)c(OC)c2)C1=O 2356170126 WESCRVXWXRAASM-HXUWFJFHSA-N 360.454 2.711 0 50 FFAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C12CC3CC(CC(C3)C1)C2 4953626 YABRBUIXTAICPE-DIKOGFFKSA-N 357.450 2.809 0 50 FFAA CN(C)[C@H](CNC(=O)NC[C@@H](N)c1ccccc1)c1ccccc1Cl 416842087 IQRPNPVMGOGLAM-QZTJIDSGSA-N 360.889 2.942 0 50 FFAA Cc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 21726231 PSVMOWAHKJZCKB-OAHLLOKOSA-N 373.420 2.709 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccccn2)C[C@H]1CCO 104348973 MWBOINUUCRVFAE-HXUWFJFHSA-N 355.482 2.549 0 50 FFAA CCC(=O)Nc1ccc(OCC(=O)N2CCCC3(CCNCC3)CC2)cc1 67560221 UGFLSCFHQWLVIH-UHFFFAOYSA-N 373.497 2.796 0 50 FFAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1cc(-c2ccncc2)nc2ccccc12 65424587 CPIWXYKAJWXTPS-CVEARBPZSA-N 372.428 2.790 0 50 FFAA CN(Cc1noc(-c2cc(O)nc(C3CC3)c2)n1)C(=O)c1ccccc1 350102652 VAHVWYMVMNFMHN-UHFFFAOYSA-N 350.378 2.987 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)[C@@H]3C(=O)O)cc2)co1 424364707 FCOSKRFRCVFBHK-BDJLRTHQSA-N 364.423 2.524 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)CN1CC1CCCCC1 12035916 FWCUXPCPNREFDA-MJGOQNOKSA-N 374.481 2.621 0 50 FFAA Cc1cc(-c2nc(CCc3ccccc3)n[nH]2)cc(S(N)(=O)=O)c1C 67472617 ZJGPGOYRTAJDNC-UHFFFAOYSA-N 356.451 2.521 0 50 FFAA COc1ccccc1OCc1cc(C(=O)N(C)Cc2cc(C)no2)n[nH]1 67769803 MELZJIIEIGVHLR-UHFFFAOYSA-N 356.382 2.566 0 50 FFAA CC[C@H](C)[C@H](NCc1cc(C(=O)OC)c(C)n1C)C(=O)OC(C)(C)C 253430089 WKZWCSLILGLWGI-LRDDRELGSA-N 352.475 2.966 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2csc(C)n2)CC1 328651832 WBMHIGQZERNXRZ-GOSISDBHSA-N 359.499 2.645 0 50 FFAA CCOc1c(Cl)cc(/C=C/C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1OC 153193036 BFHKYJLIFZBQIF-AMRKSYTLSA-N 352.862 2.969 0 50 FFAA Cc1ncc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 71498417 PHRYFMTYTPKWRA-CQSZACIVSA-N 351.328 2.855 0 50 FFAA COc1ccc(F)c(-c2nc(CN3CCC4(CC3)CNC(=O)C4)c(C)o2)c1 71707998 YQQVGWPTNNZOKP-UHFFFAOYSA-N 373.428 2.900 0 50 FFAA O=C(NCc1ccc(Cl)s1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1 11668170 ULADNDINJNQYFU-GFCCVEGCSA-N 363.870 2.852 0 50 FFAA CSc1ccc(-c2nc(CN3CCS(=O)(=O)CC3)c(C)o2)cc1 71749617 MBNBFGMTXCEXTD-UHFFFAOYSA-N 352.481 2.602 0 50 FFAA CC[C@@H](Nc1nc(N(C)C)nc2c1CCN(C(C)=O)C2)c1cc(C)ccn1 71712081 ATCCPLKQGYEGAX-MRXNPFEDSA-N 368.485 2.714 0 50 FFAA CCc1nc2c(c(NCc3nn(CC)c4ccccc34)n1)CCNCC2 72435903 RIUCMSCZTKCEAN-UHFFFAOYSA-N 350.470 2.709 0 50 FFAA CCc1ncc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cn1 72436639 GEWIWRRCSUMBDZ-UHFFFAOYSA-N 354.498 2.766 0 50 FFAA CCn1c(N)nc2cc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cnc21 77535799 QIMHMCRRPDENGF-UHFFFAOYSA-N 366.400 2.926 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)cc1Cl 262565576 LFFLTZPPTKWCSK-WDEREUQCSA-N 352.818 2.871 0 50 FFAA c1cc(-c2ccc(-c3nccn3-c3ccc(Oc4nnn[nH]4)cc3)o2)[nH]n1 72129372 UISCVPCWRBXTLN-UHFFFAOYSA-N 360.337 2.828 0 50 FFAA COc1ccc(F)cc1CC(=O)N[C@@H](C)c1ccc(OCC(=O)O)cc1 263105385 RKMWTFYPNMLKOA-LBPRGKRZSA-N 361.369 2.718 0 50 FFAA CSCc1nc(CNC(=O)c2nn3cc(C)cnc3c2Cl)cs1 214956708 ZUUJXQWLQSSHOH-UHFFFAOYSA-N 367.887 2.941 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1ccsc1 71278947 BWQVVYNROWXUBS-HXUWFJFHSA-N 358.507 2.824 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1CCO 71405628 PWSMSDOUNTZQBW-INIZCTEOSA-N 358.486 2.553 0 50 FFAA CN(CCc1ccccc1)C1(C(=O)NCc2ncc[nH]2)Cc2ccccc2C1 72165747 SESFMFUYBGAEAR-UHFFFAOYSA-N 374.488 2.738 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC([C@H](O)Cc2ccccc2)CC1 72422305 XAZLALOTEBWLIA-OAQYLSRUSA-N 360.542 2.660 0 50 FFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 17075381 OXCBJYKLRWJTOK-UHFFFAOYSA-N 366.892 2.643 0 50 FFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)CCc1ccncc1 82117297 RWPLHUJNHNDDMA-CQSZACIVSA-N 357.841 2.932 0 50 FFAA CCNc1nc(C)cc(NCCNC(=O)c2c(F)cccc2Cl)n1 82230240 CNBMYZXXXBMRPH-UHFFFAOYSA-N 351.813 2.851 0 50 FFAA COc1cccc(-c2ccc(=O)n(CC(=O)NCCC3=CCCCC3)n2)c1 40284212 RVRZSOPHAUJQIH-UHFFFAOYSA-N 367.449 2.926 0 50 FFAA O=C1c2ccccc2C(=O)N1CN1CCN(Cc2ccccc2Cl)CC1 20613963 PSTSBAVTTUUNLM-UHFFFAOYSA-N 369.852 2.711 0 50 FFAA O=C(CCN1CCC2(CC1)Nc1ccccc1NC2=O)NC1CCCCC1 82127731 XQFXPKTYSXGUOH-UHFFFAOYSA-N 370.497 2.724 0 50 FFAA CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCc3ccc(C4CC4)cc3F)CC[C@@H]21 291774231 UCIXGHRTAYWKLH-MSOLQXFVSA-N 374.460 2.789 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 82146314 PMVJELPWSHEUEK-OAQYLSRUSA-N 367.449 2.606 0 50 FFAA CNc1nc(C)cc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1 82120313 NHQPVYTXNCPZTO-UHFFFAOYSA-N 355.490 2.784 0 50 FFAA CN1CCC(N(C)CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)CC1 95390435 QGXZCIKBHXDTQR-UHFFFAOYSA-N 361.505 2.633 0 50 FFAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H](C)N1CCCC1=O 97172827 GORSDHAAWPFVEY-OAHLLOKOSA-N 357.479 2.991 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)Nc1cccc2cccnc12 97076338 VMANMEXOQLLTQO-AWEZNQCLSA-N 353.382 2.834 0 50 FFAA COCCOc1cccc(NC(=O)N2CCC[C@@H](c3ccncn3)C2)c1 96139156 RKOGWTFMBJNQSG-OAHLLOKOSA-N 356.426 2.913 0 50 FFAA Cc1nccc(-c2cccc(NC(=O)N3CCC4(CC3)C[C@@H](O)CO4)c2)n1 95522672 RQGCWUCSYHHPNL-QGZVFWFLSA-N 368.437 2.600 0 50 FFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95517502 GPUHWIXBXSCOTL-AWEZNQCLSA-N 371.387 2.514 0 50 FFAA C[C@H](C1CC1)n1nccc1NC(=O)NCCCn1nnc2ccccc21 95500103 JAAZXRZDWRNKLT-CYBMUJFWSA-N 353.430 2.811 0 50 FFAA O=C1OCC2(CCN(Cc3sc(N4CCCC4)nc3Cl)CC2)O1 97619310 CRRUOSWOUWUXIF-UHFFFAOYSA-N 357.863 2.898 0 50 FFAA CN1CCc2n[nH]c(C(=O)N(Cc3cccnc3)Cc3ccsc3)c2C1 97674353 PJURDYWNLKNJDR-UHFFFAOYSA-N 367.478 2.697 0 50 FFAA CN(C)[C@@H](C(=O)NCc1nncn1C1CCCCC1)c1cccc(F)c1 95382758 OAQCAXHVZOVLCW-GOSISDBHSA-N 359.449 2.842 0 50 FFAA Cc1cccc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1F 95353463 UCHJYVPGAHSYSS-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA Cc1cc(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)nc(-c2ccccc2)n1 91476790 YQHOUMXURMMNCK-WOJBJXKFSA-N 366.509 2.983 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 95511461 KCYWZVDYBCPVSL-UHFFFAOYSA-N 366.469 2.891 0 50 FFAA Cc1ncc(C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)c(C)n1 181588834 COIQSRYFBDURNS-UHFFFAOYSA-N 366.299 2.695 0 50 FFAA Cc1ccc([C@H](C)NC(=O)CN2CCN(c3ccccc3C)C(=O)C2)cc1 91574216 JYTICJPMYCRTMK-SFHVURJKSA-N 365.477 2.829 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)[nH]n2)cc1 97654083 JMGGPIXRMYWKQA-BEFAXECRSA-N 366.421 2.669 0 50 FFAA N[C@H]1CC[C@@H](CN2CCC(Oc3ccccc3F)(C(=O)O)CC2)CC1 247710701 JDCVFRYBPNASFN-GASCZTMLSA-N 350.434 2.641 0 50 FFAA Cn1cc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@H]2C[C@@H](O)C2)cn1 244894036 YYSNKIAUONXBKX-MJEQTWJJSA-N 367.371 2.610 0 50 FFAA O[C@H]1C[C@@H]([C@@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 244872957 WHLYMYUJLRPGNB-LESCRADOSA-N 351.537 2.872 0 50 FFAA CC[C@@H](C)[C@@H](CO)NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C 253398945 CKUPRMRSSRNURO-BDJLRTHQSA-N 361.438 2.620 0 50 FFAA biogenic O=C(NCCCc1ccccc1)c1nnn2c1CO[C@H](c1ccccc1)C2 263615446 CLIUMFSRVWBCIA-IBGZPJMESA-N 362.433 2.912 0 50 FFAA CCn1cc(-c2ccc(C(=O)N[C@@H](COC)c3ccnn3C)cc2)c(C)n1 534585433 BLKQWDGTYXRXGH-SFHVURJKSA-N 367.453 2.729 0 50 FFAA CC(C)C[C@@H](CO)N(C)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 185365427 IPVJXBODPLBMIG-UXHICEINSA-N 361.530 2.599 0 50 FFAA CCCc1ccc(CN2CC[C@]3(OC)CC[C@H](OCC(=O)O)C[C@H]23)o1 299756798 IYBPYTJJJPEVOC-VDZJLULYSA-N 351.443 2.845 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC[C@]2(CCOC2)C1 299780339 SHRNHRXPNCQPIF-ZDUSSCGKSA-N 351.756 2.735 0 50 FFAA Cc1nccn1-c1ccc(NC(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1 299777124 JDKAMOWZUJECIN-QGZVFWFLSA-N 367.453 2.703 0 50 FFAA CNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)c1C 823836604 WVUKSRCPZLWCOP-AWEZNQCLSA-N 355.369 2.558 0 50 FFAA Cc1nc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2cccs2)cs1 670456199 NCMRZQMJCXFAPO-CYBMUJFWSA-N 351.497 2.974 0 50 FFAA COc1ccc([C@@H]2[C@@H](COC(=O)c3ccn4ncnc4c3)CCN2C)cc1 1875277759 CQCOSSFDVYFURO-VQIMIIECSA-N 366.421 2.588 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@H](c3ccccc3)O[C@H](C)C2)CC1 1875367287 ODIQLLLNEXBWMM-APWZRJJASA-N 356.466 2.790 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1occc1-c1ccccc1 1875402697 KRSDQZUKNQNRTJ-BMGDILEWSA-N 351.406 2.713 0 50 FFAA C[C@@H]1CC[C@H](C(=O)N2CC3(CN(C(=O)c4nc(C5CC5)cs4)C3)C2)C1 1875406251 AFZMZVHYJSLQFA-OCCSQVGLSA-N 359.495 2.741 0 50 FFAA CCc1nc(C)c(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)o1 952989535 VYOLXHHCABGKGV-UHFFFAOYSA-N 355.398 2.980 0 50 FFAA Cc1nc(-c2ccc(NC(=O)[C@H](c3cccnc3)N3CCCC3)cc2)n[nH]1 952860283 KVORWHIHQDOHKT-SFHVURJKSA-N 362.437 2.951 0 50 FFAA COCCN1CC[C@H](CN(C)S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 952966211 CWLPRYCMNBTWFA-OAHLLOKOSA-N 374.934 2.546 0 50 FFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1ccc2scnc2c1 1565512556 VFVRBPFTMJKUPB-GJZGRUSLSA-N 355.419 2.658 0 50 FFAA O=C(CCCN1C(=O)N[C@H](c2ccccc2)C1=O)N1Cc2ccccc2C1 170592585 SOBJBAFOQATUPG-LJQANCHMSA-N 363.417 2.602 0 50 FFAA CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccnc(C)c2)C1 279101761 TWHHJYZCJLABRD-CQSZACIVSA-N 357.376 2.653 0 50 FFAA Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCCCCC1 408159366 PTSMXOWNHQUVDV-UHFFFAOYSA-N 367.515 2.652 0 50 FFAA CC(C)COc1ncccc1C(=O)NC1CCN(Cc2ccncc2)CC1 171284146 XCLUOCKUGTXLQF-UHFFFAOYSA-N 368.481 2.906 0 50 FFAA Nc1nccnc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 187313920 MRIIBMHGJWAEQZ-LBPRGKRZSA-N 362.817 2.912 0 50 FFAA O=C(CCSCc1ccccc1)NCc1cccnc1N1CCOCC1 225396946 GXONOWGXOWKASD-UHFFFAOYSA-N 371.506 2.858 0 50 FFAA Cc1ccc(N2CCC[C@@H](N3CCN(c4cncc(F)c4)CC3)C2=O)cc1 225523787 SSDRRZBDNBOIOC-HXUWFJFHSA-N 368.456 2.847 0 50 FFAA COC[C@@H](C)n1ccc(NC(=O)NCC2(c3ccccc3)CCOCC2)n1 189872947 MCSKQZPFSSBHMU-MRXNPFEDSA-N 372.469 2.960 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3ccc(OCC4CC4)cc3)CCO2)cn1 191786673 XQJCJJHBAFFMIV-LJQANCHMSA-N 355.438 2.906 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)nc1 192683361 AHZKLVOSUYJUFS-ZDUSSCGKSA-N 350.296 2.752 0 50 FFAA Cc1noc2ncnc(NC[C@@H](O)COc3ccc(C(F)(F)F)cc3)c12 195510876 AXCFYGQUXMDUCH-LLVKDONJSA-N 368.315 2.797 0 50 FFAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2ccsc2C(=O)O)c(C)s1 1506423850 XZVHCPIUOOWROS-ZETCQYMHSA-N 360.482 2.901 0 50 FFAA COc1ccc(/C=C(/C(=O)N2CCC(C(N)=O)CC2)c2ccccc2)cc1 1146623 CKKCGKYXIXAYKO-HMMYKYKNSA-N 364.445 2.960 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2scc3c2CCCC3)C[C@@H]1c1cccnc1 219605583 YOGJMCDFRKULRJ-CVEARBPZSA-N 356.447 2.962 0 50 FFAA CCCN1C[C@@H]2CN(CCN3CCOCC3)C[C@]2(CCc2ccccc2)C1 1772815889 BGAZLISFDDNJHS-PKTZIBPZSA-N 371.569 2.595 0 50 FFAA COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCc1cccnc1 12322375 HJJYJUJWCFDZQK-UHFFFAOYSA-N 352.390 2.754 0 50 FFAA biogenic C/C=C(\C)CN1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 12448266 FJXFTJNELXGKMQ-JFQJCAQQSA-N 370.541 2.840 0 50 FFAA CCCn1c(C)c(CC(=O)N[C@@H](C)c2ncn[nH]2)c2c1CC(C)(C)CC2=O 12457685 QHOOLUMTVNWLFL-LBPRGKRZSA-N 371.485 2.900 0 50 FFAA COCCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CCC1=O 14951115 PLHWAILDTUHTBR-UHFFFAOYSA-N 370.424 2.814 0 50 FFAA O=C(NCc1scnc1-c1ccccc1)c1cn(C[C@@H]2CCCO2)nn1 14968136 KWYHUQPYUFWPKQ-AWEZNQCLSA-N 369.450 2.511 0 50 FFAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(F)(F)F 16624391 XOCJJQKBMZIPPL-VXGBXAGGSA-N 366.339 2.985 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1 19799928 BGGXVHQPLRQNGN-LBPRGKRZSA-N 361.269 2.599 0 50 FFAA CC(C)=CC[C@@]1(C(=O)N2CCC(Cn3cccn3)CC2)C[C@@H]2CC[C@H]1N2 1857667712 BCBXYBZUKYKHGO-QKNQBKEWSA-N 356.514 2.989 0 50 FFAA CCOc1ccc2[nH]c(=O)c(-c3nccn3[C@H]3CCOC[C@@H]3OC)cc2c1 1857691427 KSRNEJAPHJFXJF-ROUUACIJSA-N 369.421 2.767 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)nc2c1CCCC2 1857711545 FZNDLTCESSBQNW-UYAOXDASSA-N 364.493 2.816 0 50 FFAA CC/C(C)=C/CCN1C[C@@H]2[C@H](CNC(=O)c3cc(C)no3)[C@H]3CC[C@]2(C1)O3 1857712212 MVVKUULQPPZNIH-HDOJMSOVSA-N 373.497 2.939 0 50 FFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCn2nccc2C1 1857730634 XWDOZPKQVQVJFB-CQSZACIVSA-N 353.401 2.633 0 50 FFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 237929330 LETGPIJCXPVMFK-INIZCTEOSA-N 358.438 2.602 0 50 FFAA CC(C)(NC(=O)Cc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nn1 154705608 DBTDSGCXLHSXQO-UHFFFAOYSA-N 364.405 2.590 0 50 FFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cnn3cccnc23)C1 263837352 RPQVXBMQPQIOKD-AWEZNQCLSA-N 369.856 2.947 0 50 FFAA Cc1cc(C(=O)N2CCc3ncnc(O)c3C2)c(Br)s1 269710795 NZJBTCXWMJZHHJ-UHFFFAOYSA-N 354.229 2.513 0 50 FFAA COCCc1noc(CN[C@@H]2CCN(Cc3ccccc3)CC2(C)C)n1 374533300 AWEHPLMWWSJIRU-QGZVFWFLSA-N 358.486 2.649 0 50 FFAA COc1ccc(OC)c([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c1 4387087 IQZJRFIENSLZTC-CQSZACIVSA-N 351.358 2.986 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2100543376 RBGNPIXXIUDDMK-NRFANRHFSA-N 366.465 2.526 0 50 FFAA CC(=O)c1cc(Cl)c(Cl)cc1OC[C@H](O)COc1cnsn1 2325752049 YORLVUFJOCKVCA-QMMMGPOBSA-N 363.222 2.866 0 50 FFAA Cc1c[nH]c2ccc(Nc3cc(N4C[C@H](O)C[C@@H]4CN(C)C)ncn3)cc12 2325785499 BKYSCKHPQVBVNX-HZPDHXFCSA-N 366.469 2.511 0 50 FFAA Cc1sc([C@@H](C)N)nc1C(=O)Nc1cn(C)nc1O[C@H](C)C(C)C 2325786418 JWHZABUUUZIODO-NXEZZACHSA-N 351.476 2.880 0 50 FFAA NCc1nc(-c2ccc(NC(=O)C[C@H]3COCc4ccccc43)cc2)n[nH]1 2325858971 IPVHXHIUPOEHGN-HNNXBMFYSA-N 363.421 2.573 0 50 FFAA O=C(CCC1CC1)N[C@H]1CCCN(C(=O)Cc2cc(C3CC3)on2)CC1 2325867661 BMCKPGYQWRVRGW-INIZCTEOSA-N 359.470 2.782 0 50 FFAA CC(C)[C@@H](N)N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 1857800121 AWWHMJDUTUSARV-JQWIXIFHSA-N 356.656 2.782 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)COc2cccc(Cl)c2)n1 629872 PLQAVIOAOHYCKU-UHFFFAOYSA-N 354.815 2.920 0 50 FFAA Cc1ccc(C)c(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 655782 HKVXWMMCYFOKMB-UHFFFAOYSA-N 372.490 2.654 0 50 FFAA COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2)cc(C(=O)OC)c1 1192470 FPJPWNLWLUSQKZ-LBPRGKRZSA-N 357.362 2.666 0 50 FFAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 2059619 YKANBYPDWPUUJZ-UHFFFAOYSA-N 372.494 2.948 0 50 FFAA aggregator CCCCC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 2870667 JTNSTQULBAXDKW-UHFFFAOYSA-N 365.389 2.756 0 50 FFAA O=C(c1cccs1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4867946 AKPDKRGNMZIPKX-AWEZNQCLSA-N 353.440 2.717 0 50 FFAA CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)c(OCC)c1 6730696 BCNLSVWANZMQOC-UHFFFAOYSA-N 355.438 2.841 0 50 FFAA COC[C@H]1CN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)CCO1 172626681 OKDVYUQNPDBUTH-QGZVFWFLSA-N 359.397 2.989 0 50 FFAA CSCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55211829 ITPJIVDLWIOCDI-KRWDZBQOSA-N 367.946 2.816 0 50 FFAA CCn1nc(C)cc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67459538 HKYNCVFJEURUSH-UHFFFAOYSA-N 353.401 2.751 0 50 FFAA CNC(=O)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cc(F)ccc3C)cc2)C1 65405201 SGBSEJLDYSIHNK-QGZVFWFLSA-N 369.440 2.954 0 50 FFAA Cc1cc2c(cc1CN1CCCC[C@@H]1CCN1CCN(C)CC1)OCO2 67714501 OHLUPJSIBDVZNU-LJQANCHMSA-N 359.514 2.716 0 50 FFAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)Cn1cccn1)CCO2 67790285 LJJUXNOTJHLEKP-UHFFFAOYSA-N 363.417 2.985 0 50 FFAA CN(Cc1ccccc1OC(F)(F)F)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252457570 SHVQZHJFHUDCNX-ZIAGYGMSSA-N 368.355 2.926 0 50 FFAA Cn1cncc1[C@H]1C[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)CCO1 328633683 STRAFGSAYCQWHR-VQIMIIECSA-N 373.478 2.547 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 39448004 ZJVMXBFYBBMUGS-JOCHJYFZSA-N 367.493 2.714 0 50 FFAA CCCOCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 72144890 KCBYRICBWCZNSM-LJQANCHMSA-N 359.514 2.535 0 50 FFAA CC1=NN(C(=O)CSCc2ccccc2F)[C@](O)(C(F)(F)F)C1 6394239 HPBSYYHQRWWLMK-CYBMUJFWSA-N 350.337 2.918 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1CC[C@](O)(CN2CCCCC2)C1 77341903 NFDUTVVCPSNRCE-NRFANRHFSA-N 354.498 2.603 0 50 FFAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC[C@@H]1c1ccc(F)cc1 77340780 PXALZMFDXAZAAQ-QGZVFWFLSA-N 367.380 2.723 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1 72409796 SAXCURZJCKBIEX-KRWDZBQOSA-N 372.509 2.911 0 50 FFAA COc1ccc2cc([C@@H]3CN(C(=O)CCCNC(C)=O)CCO3)ccc2c1 71746490 KTTLYJAWATVGEJ-FQEVSTJZSA-N 370.449 2.665 0 50 FFAA C[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1cn2ncsc2n1 77338114 VIGSGBZTODHUNK-NSHDSACASA-N 368.422 2.651 0 50 FFAA COCCCN1C[C@@]2(CCCN(c3nc(C)nc(C)c3C)C2)CCC1=O 72447490 FCCBIXOVXIUFOI-HXUWFJFHSA-N 360.502 2.647 0 50 FFAA COc1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc2n1 216133478 CBJOUUXVIGYOMY-HNNXBMFYSA-N 367.449 2.718 0 50 FFAA Cc1noc([C@H]2COCCN2C(=O)CCc2ncc(-c3ccccc3)o2)n1 155370634 SVSAENPUGLLQMT-OAHLLOKOSA-N 368.393 2.566 0 50 FFAA Cc1c(C(=O)N(CC(=O)O)C2CC2)cnn1-c1cccc(C(F)(F)F)c1 237726640 KYRCUACDGYTKEF-UHFFFAOYSA-N 367.327 2.889 0 50 FFAA Cn1ccnc1[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)C1CC1 77440997 KXTDMRNRCCMYBV-QGZVFWFLSA-N 351.410 2.670 0 50 FFAA Cc1c(C(=O)NCCS(=O)(=O)CC(C)C)n(C)c2c(C)cccc12 215694463 BNEWYHYCGBGNIK-UHFFFAOYSA-N 350.484 2.596 0 50 FFAA COC[C@H](C)OC[C@H](O)CN1CCC(c2cccc3cnccc23)CC1 373895617 AMYDJAQHYFMWJV-QFBILLFUSA-N 358.482 2.827 0 50 FFAA COc1cccc2c1CCN(C(=O)NC[C@@H]1CCCn3cc(C)nc31)CC2 373905159 KHAUYKQTYBXSJC-KRWDZBQOSA-N 368.481 2.888 0 50 FFAA O=C(COc1ccc(CN2CCC(c3ccn[nH]3)CC2)cc1)N1CCCC1 215069416 DZUADSNMSLYEGZ-UHFFFAOYSA-N 368.481 2.791 0 50 FFAA COc1ccc2c(c1NC(=O)N[C@@H]1CCCN(c3cnn(C)c3)C1)CCC2 240244182 DKRDDNZIXOLPHA-OAHLLOKOSA-N 369.469 2.708 0 50 FFAA O=C(NCC1(C(=O)O)CCOCC1)c1ccccc1C(=O)c1ccccc1 262862220 VNIVGTPJHNRCKX-UHFFFAOYSA-N 367.401 2.529 0 50 FFAA C[C@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C[C@H]1C 241139429 JQVWJKPHDILHLR-CUYVQJCZSA-N 363.477 2.546 0 50 FFAA COc1ccccc1CNC(=O)c1sc(NC[C@@H]2CCCO2)nc1C 44901351 ODHAGLLWLTZFKY-AWEZNQCLSA-N 361.467 2.981 0 50 FFAA CCCc1cc(C(=O)N2CCN(Cc3ccc(OCC)cc3)CC2)[nH]n1 44150903 HHIFGULNELPYGI-UHFFFAOYSA-N 356.470 2.719 0 50 FFAA O=c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)nc2sccn12 17074352 NHPPPWYTHINEJC-UHFFFAOYSA-N 360.870 2.732 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCCN(C(=O)C2CCC2)C1 82092231 YLLKMYNKARUYMM-INIZCTEOSA-N 368.481 2.793 0 50 FFAA O=C(O)CC1(NC(=O)N2CCN(Cc3cccs3)CC2)CCCCC1 426441737 HEIBGAXCIHSTCH-UHFFFAOYSA-N 365.499 2.753 0 50 FFAA Cc1nc(CCCNC(=O)CCn2cnc3ccccc3c2=O)sc1C 222872483 BMEYEZIVNJRUTC-UHFFFAOYSA-N 370.478 2.609 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2csc(CN(C)C)n2)[C@@H](C)C1 82107719 QPILXOUPRRPSMP-HNNXBMFYSA-N 358.511 2.864 0 50 FFAA O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)N1CCSCC1 49549754 PBIXEJSBYLFQIT-UHFFFAOYSA-N 365.458 2.639 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCCn3c(C)cc4ccccc43)C2)n[nH]1 426478877 JCXUSBAWPQZART-KRWDZBQOSA-N 366.469 2.965 0 50 FFAA CC1(C)CN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@H](C(F)(F)F)O1 292986226 ROSCVVPZLWIHLD-CYBMUJFWSA-N 369.347 2.841 0 50 FFAA Cc1ncc(C(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(C)n1 180273050 VXBJXCRELDQWTH-UHFFFAOYSA-N 374.448 2.513 0 50 FFAA Cc1ccc(CCNC(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)o1 426662119 NWDFRKIQQASGQP-UHFFFAOYSA-N 368.437 2.739 0 50 FFAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)N1CCOC2(CCCC2)C1 426414913 YHWOBIIFPVBEHB-SFHVURJKSA-N 354.454 2.979 0 50 FFAA O=C(c1cc2ccccc2cc1O)N1CCC(O)(CN2CCCC2)CC1 223063641 BHCOPTSPFBLTPQ-UHFFFAOYSA-N 354.450 2.608 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)c1nc3ccccn3c1F)CC2 80531534 RBXKWFYTTDDJNC-UHFFFAOYSA-N 355.369 2.689 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCCN3Cc4ccccc4C3)[C@H]2C1 426488091 BNYFSDNBADJGSQ-JAXLGGSGSA-N 372.509 2.967 0 50 FFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)CC2 91829147 VEAZRURPEJKFBZ-MOPGFXCFSA-N 373.493 2.721 0 50 FFAA O=C1CCC2(CCN(C(=O)c3ccccc3)CC2)CN1C[C@@H]1CCCO1 91830815 VRDRFIYXXUEJPR-SFHVURJKSA-N 356.466 2.710 0 50 FFAA COc1ccccc1N1CCN(Cc2nnc(-c3ccccc3)o2)CC1=O 91974028 CGXHJNZOAGUQFE-UHFFFAOYSA-N 364.405 2.594 0 50 FFAA COc1cccc(CCNC(=O)[C@@H]2COc3c(cccc3OC)C2)c1OC 95356978 LTPCJQNYTYIMOG-INIZCTEOSA-N 371.433 2.622 0 50 FFAA O=c1[nH]ccnc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 97732734 YKPZCCIZJKXJGT-UHFFFAOYSA-N 358.445 2.663 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CC[C@H](N)C1 237685103 XYRUFTIBFJFKJJ-LBPRGKRZSA-N 353.253 2.720 0 50 FFAA CCc1cnc(C)nc1-c1cccc(C(=O)N[C@H](C)c2nnc(N)s2)c1 426518761 KDYIXNBMHUZZFX-SNVBAGLBSA-N 368.466 2.939 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)s3)C2)n1 426434125 PASCYNMSGHMQCL-AWEZNQCLSA-N 357.483 2.707 0 50 FFAA O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc2c(c1)CCCO2 426473033 YKIXIIHGNHBUHV-OAHLLOKOSA-N 350.418 2.795 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)NCCN(C)c2ccccc2)c1 91505246 WUFJVQJZMZKZMI-UHFFFAOYSA-N 350.422 2.952 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cccnc1)C2 91858754 VUIRDCLQCINAER-AZUAARDMSA-N 363.461 2.777 0 50 FFAA CCOc1ccccc1N1CCN([C@@H](C(=O)O)c2cccc(CO)c2)CC1 95355097 WTSOBXJUULBRCU-HXUWFJFHSA-N 370.449 2.526 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCCN(Cc3ccncc3)CC2)N(C)C)cc1 95361556 KFGCYZWJSQVHED-NRFANRHFSA-N 366.509 2.727 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)c1cn(CC[C@H]2CCCCN2)nn1 97117480 WSJDFTKHTQZJRE-LJQANCHMSA-N 367.497 2.619 0 50 FFAA CC(C)CN1CCn2nc(CNC(=O)c3ccc4ncsc4c3)cc2C1 91255043 NBEWRQZSIQHDQY-UHFFFAOYSA-N 369.494 2.894 0 50 FFAA Cc1nnc(-c2ccccc2C(=O)N2CCCN(c3ccccn3)CC2)o1 184227620 QFWZCDBMOOTFIE-UHFFFAOYSA-N 363.421 2.793 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(N2CCCC2=O)ccc1F 299748983 ITGQBULXBUWDHJ-JLZZUVOBSA-N 374.412 2.810 0 50 FFAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1C[C@@H](c2cc(NCCO)ncn2)C1 244723875 MJCQHAVXIHPKCJ-OKILXGFUSA-N 358.442 2.582 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1 252483761 FHZADLKYIVALOE-HNNXBMFYSA-N 366.469 2.731 0 50 FFAA COc1ccc(NC(=O)[C@H](NC(=O)c2cccnc2)c2ccccc2)cn1 252506315 VYXHDRRXMIVFFR-GOSISDBHSA-N 362.389 2.595 0 50 FFAA CCCc1noc(CN(C)C(=O)NCc2nc3cc(OC)ccc3o2)n1 534647174 STKMPALFUNBVCW-UHFFFAOYSA-N 359.386 2.514 0 50 FFAA O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCSCC2)CC1 299767799 OPBOYTBWLFPQBW-UHFFFAOYSA-N 352.887 2.768 0 50 FFAA Cc1c(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)[nH]c2ccc(Cl)cc12 299786221 WIOZUQFFRWQUEW-JKSUJKDBSA-N 371.828 2.707 0 50 FFAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1ccc2nsnc2c1 822288497 WDSRCASOZQNPJR-UHFFFAOYSA-N 365.484 2.564 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)NCc1ccc(Cl)cc1Cl 828710778 CVCOGHUFGBUUQC-CQSZACIVSA-N 360.285 2.639 0 50 FFAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)N1Cc1ccncc1OCc1ccccc1 1875309635 GXOQAXFQZXMGHS-IEZWGBDMSA-N 363.417 2.976 0 50 FFAA O=C(Nc1ccc(-n2cnnn2)cc1)c1c[nH]nc1-c1ccccc1Cl 1875265173 IJJMARAFZHEDMU-UHFFFAOYSA-N 365.784 2.958 0 50 FFAA Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1NC(=O)CN(C)C 952985188 QJSTYVSNHATFBE-UHFFFAOYSA-N 359.401 2.652 0 50 FFAA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)Cc1ccc(F)cc1 952965915 FPQIXAYADSALJN-UHFFFAOYSA-N 351.447 2.670 0 50 FFAA O=C(CC1(Cn2cnnn2)CCCCC1)NC1C2CC3CC(C2)CC1C3 888090811 WCOMZVIPDVZGLU-UHFFFAOYSA-N 357.502 2.955 0 50 FFAA Cc1ccc(-c2n[nH]cc2CNC[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 886081965 MMQYFYJXMXGRIN-YJBOKZPZSA-N 353.426 2.944 0 50 FFAA COc1cc2nc(C)c(N3CCC(C4OCCO4)CC3)nc2cc1OC 170601999 MOXXSHASQXWJBH-UHFFFAOYSA-N 359.426 2.545 0 50 FFAA C[C@](NC(=O)Cc1ccccc1C(F)(F)F)(C(N)=O)c1ccccc1 171483063 VTSIEHRDVZNFLG-QGZVFWFLSA-N 350.340 2.765 0 50 FFAA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCc1ccsc1 190241683 IKZMGNRZWRTQBP-HXUWFJFHSA-N 373.522 2.569 0 50 FFAA Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCC=Cc2ccccc21 192938813 QFHWNNJZNIQFGO-UHFFFAOYSA-N 374.510 2.674 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCOC[C@@H]1c1ccc(C)o1 195263836 XASHDBJKHVOYLG-CQSZACIVSA-N 351.424 2.667 0 50 FFAA CCC1=NO[C@@H](CN2CCCN(C(=O)Cn3ccc4ccccc43)CC2)C1 1529178113 IXTKXSNPPDTZLR-LJQANCHMSA-N 368.481 2.731 0 50 FFAA Cc1ccc2cc(CN(CCN(C)C)Cc3[nH]cnc3C)c(O)nc2c1 1704308413 QOTQHBANSXLQSM-UHFFFAOYSA-N 353.470 2.844 0 50 FFAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772709652 QVKDDJKKKIPSRN-WIYYLYMNSA-N 355.409 2.964 0 50 FFAA CC(=O)c1ccnc(N2CCCN(C(=O)Cc3cccc(C)c3)CC2)c1 1772809403 WEUHFPSXKINTES-UHFFFAOYSA-N 351.450 2.874 0 50 FFAA O=C(c1ccc2ncccc2c1)N1CCCN(CC[C@H]2CCOC2)CC1 1772701065 MGXLDANENLBQJA-KRWDZBQOSA-N 353.466 2.809 0 50 FFAA O=C1CC[C@H](C(=O)N2CCc3sccc3C2)CN1CCc1ccccn1 11821331 MLAXWTSZLCMSEV-INIZCTEOSA-N 369.490 2.509 0 50 FFAA COc1cccc(OCc2cc(C(=O)NCc3ncccc3C)no2)c1 11934517 UJVFARJLCLIAAV-UHFFFAOYSA-N 353.378 2.896 0 50 FFAA COc1ccc(/C=C/C(=O)NCCc2nnc(SCC(C)C)n2C)cc1 12128897 SDWVLWWYEUYXFK-JXMROGBWSA-N 374.510 2.944 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)CCc3c(C)n[nH]c3C)no2)cn1 12431498 LWZAIJDBXIMHKH-UHFFFAOYSA-N 369.425 2.612 0 50 FFAA CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 18130143 YASNQFJBYHTGIZ-UHFFFAOYSA-N 364.430 2.945 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(N[C@H]3CCOC(C)(C)C3)nc2)no1 19771034 GHBFEJPKYRPPNP-AWEZNQCLSA-N 373.457 2.888 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4sccc4C)CC3)nn2)n1 169780918 HXYGIFKKOHDQET-UHFFFAOYSA-N 372.454 2.738 0 50 FFAA O=C(O)[C@H]1CN(Cc2ccccc2)CC12CCN(Cc1nccs1)CC2 1857691590 RFBSJYAWMIOEJG-QGZVFWFLSA-N 371.506 2.942 0 50 FFAA Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCC2=CCCCC2)C1 1857693260 ORKXXBIXUNGWHR-VQIMIIECSA-N 361.511 2.517 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(N2CCCCC2)cc1 1857717712 UVKKFMUKZNEORZ-SESVDKBCSA-N 369.509 2.658 0 50 FFAA O=C(c1ccn2nccc2c1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857719513 NRXFCTPZENCRAK-DYESRHJHSA-N 372.428 2.558 0 50 FFAA Cc1cc(N2C[C@@H]3[C@H](CNC(=O)c4occc4C)[C@H]4CC[C@]3(C2)O4)ccn1 1857722436 HZKZCWMNNZTGHI-XKGFGPFHSA-N 367.449 2.705 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1ccc(Cl)c(Cl)c1 1857729363 XMHGILKSWFBKPZ-XEZPLFJOSA-N 355.265 2.975 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c2ccccc2n1C 328875796 ZOBGTSAXLDZQNM-RTBURBONSA-N 360.479 2.819 0 50 FFAA O=C(CN1CCN(C2CC2)CC1)N[C@@H](c1ccc(F)cc1)C1CCCC1 125821131 BNVLSWCQKDMYON-OAQYLSRUSA-N 359.489 2.953 0 50 FFAA CNC[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1 237318902 FBBOEIAKWFQLEE-SNVBAGLBSA-N 370.824 2.979 0 50 FFAA O=C(O)C[C@H](NC(=O)C1CCOCC1)c1cccc(Br)c1 238202108 DOFNDPLSWIFGTQ-ZDUSSCGKSA-N 356.216 2.508 0 50 FFAA Fc1ccc(-c2nc(CN3CC[C@@H](CN4CCOCC4)C3)co2)cc1F 129168663 OZJBTWIPGWVIEH-AWEZNQCLSA-N 363.408 2.774 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 247774307 WOSMUAYBFHXIFE-CAPXZKIUSA-N 354.809 2.882 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccc2c(c1)OCO2 247997413 AQDKCJVXUFCJFL-SJORKVTESA-N 354.454 2.543 0 50 FFAA CC[C@@H]1C(=O)NCCCN1C(=O)c1c(C)nn(Cc2ccccc2)c1Cl 906447760 GKSGSSHGDPFPOG-OAHLLOKOSA-N 374.872 2.634 0 50 FFAA CN(C)c1ncc(CN2CCO[C@H](c3cnn(C)c3)C2)c2ccccc12 929812466 HWTNVOKPCVWAOW-IBGZPJMESA-N 351.454 2.608 0 50 FFAA NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 4019127 MAVGXAKPWNROPG-QWRGUYRKSA-N 362.451 2.721 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)[C@H]2CN(C)C[C@@H]2c2cccnc2)C3)cc1 2325783921 KXOQARWYQVAADR-OQLXKQOESA-N 361.489 2.835 0 50 FFAA CCn1ncc(C(=O)N2C[C@H](C(C)(C)C)C[C@H](CN)C2)c1Br 2325787974 FMUFIDQADWWAMV-VXGBXAGGSA-N 371.323 2.749 0 50 FFAA O=C(O)[C@@]1(Cc2cn(Cc3ccc(-n4ccnc4)cc3)nn2)CC=CCC1 2325806840 JXULZZUJAXHDFO-FQEVSTJZSA-N 363.421 2.866 0 50 FFAA Cc1ccn(-c2ccccc2C(=O)NCc2ccccc2-n2cncn2)n1 2325870702 LERLKJNSLJCLFV-UHFFFAOYSA-N 358.405 2.691 0 50 FFAA O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1175401 ZETVRYAYEISCPF-OAHLLOKOSA-N 356.422 2.524 0 50 FFAA CCCC1=NN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@](O)(C(F)(F)F)C1 1436971 OQIYDBGLTUUGFK-INIZCTEOSA-N 374.359 2.886 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(C)(C)C)on2)C1 6746993 SBAZATNFVMAHOK-CYBMUJFWSA-N 371.503 2.753 0 50 FFAA CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 118988992 ZBRKHKZZIGZEIG-IBGZPJMESA-N 373.497 2.777 0 50 FFAA Cc1nc(N(C)Cc2cccc(O)c2)nc2cc(S(C)(=O)=O)ccc12 67786492 ZFYQYIZTFTYICK-UHFFFAOYSA-N 357.435 2.684 0 50 FFAA COc1cc2cc(CN3CCC[C@@H]3c3nonc3C)c(=O)[nH]c2cc1OC 67983197 PGWIJYASUWAATC-OAHLLOKOSA-N 370.409 2.574 0 50 FFAA COc1ccc(Cl)cc1[C@H](C(=O)O)N(C)Cc1nncn1C(C)C 1506413198 IHQZLHKEWROLOW-OAHLLOKOSA-N 352.822 2.779 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1 65507360 JCNDZTACKCZAAF-MRXNPFEDSA-N 359.401 2.914 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@H]2CCCCC[C@@H]2C(=O)O)CC1=O 252515785 NMCNKJXDSDPABR-BGTYHANMSA-N 372.465 2.746 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2)n1 252510664 BCRWEPCBZUZZOZ-NXHRZFHOSA-N 368.437 2.742 0 50 FFAA O=C1CCCN1CC1CCN(C(=O)c2ccc(NC3CC=CC3)nc2)CC1 67946559 PDGQCNUCWDIWBN-UHFFFAOYSA-N 368.481 2.687 0 50 FFAA Cc1ncsc1CCC(=O)NCC1CCN(c2ccncc2F)CC1 1506419943 NAGIZULWYQJMHP-UHFFFAOYSA-N 362.474 2.951 0 50 FFAA COc1ccc2c(c1)N(C(=O)C[C@@H](C)NC(=O)C1CCCCC1)CCO2 173211981 VUVMHFIDEKDYAY-CQSZACIVSA-N 360.454 2.896 0 50 FFAA CC(C)(CO)CCCNC(=O)N1CCCN(c2ccc(F)cc2)CC1 122552232 YRIGYMOWVOXBIY-UHFFFAOYSA-N 351.466 2.846 0 50 FFAA CC(C)NC(=O)C1CCN(C2CCN(C3CCSCC3)CC2)CC1 12718237 URNNIYDPJVLJNS-UHFFFAOYSA-N 353.576 2.583 0 50 FFAA CCOc1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cn1 435607766 QRPJELMWCMOUNN-JOCQHMNTSA-N 350.415 2.844 0 50 FFAA COc1ccc(CCN2C[C@@H](C(=O)N3CCCCCC3)CCC2=O)cc1 12300138 LDBNRZOQLOZADS-SFHVURJKSA-N 358.482 2.879 0 50 FFAA CC(C)CN(C)C(=O)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71711981 XYYFKLWBSFWWKW-HXUWFJFHSA-N 372.557 2.872 0 50 FFAA c1ccc2sc([C@H]3CCCN(Cc4cc5n(n4)CCNC5)C3)nc2c1 72157413 JCILESXWFOFKSJ-AWEZNQCLSA-N 353.495 2.976 0 50 FFAA CC[C@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 216013302 ONSBHTDBTWFSNL-GOSISDBHSA-N 373.478 2.699 0 50 FFAA O=C(c1cc2c(nc1O)CCCCC2)N1CCNC[C@@H]1c1cccc(F)c1 262047425 UQQJWXJRUVXSRB-LJQANCHMSA-N 369.440 2.982 0 50 FFAA CCOCCC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 72132948 ZDJGXNCJBZWCRN-GOSISDBHSA-N 364.461 2.838 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)N3CCc4ccccc43)nn12 13644667 HFVWQZVITWFFIE-UHFFFAOYSA-N 372.432 2.950 0 50 FFAA COc1ccc(NC(=O)c2cccc(C(=O)O)n2)cc1N1CCCCC1=O 262669937 XBGBGJDFWCXLDJ-UHFFFAOYSA-N 369.377 2.558 0 50 FFAA Cc1nc(N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c2c(C)c(C)sc2n1 378001103 YXFXDEIDBCVEDH-WWGRRREGSA-N 360.483 2.855 0 50 FFAA CCCNC(=O)c1cccc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1 131576481 JRNFYEQBJDFLLK-UHFFFAOYSA-N 363.421 2.968 0 50 FFAA O=C(O)COc1cccc(CN2CC[C@H](c3ccccc3C(=O)O)C2)c1 72127126 SKSFHBDMARUQKB-HNNXBMFYSA-N 355.390 2.838 0 50 FFAA NC(=O)c1ccc(C(=O)NCc2ccc(OCc3ccccc3)cc2)nc1 132507377 VLVFVCGWGHPLQW-UHFFFAOYSA-N 361.401 2.690 0 50 FFAA CSc1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 82109733 LGVSBBTYHDXXFA-UHFFFAOYSA-N 370.522 2.979 0 50 FFAA Cc1cccc2[nH]c(C3CCN(C(=O)CCc4cnn(C)c4)CC3)nc12 82086599 RZQCDENGZGWZCT-UHFFFAOYSA-N 351.454 2.944 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)Nc3ccc4c(c3)COC4=O)CC2)n1 426712640 LYOVJKTVCLKUQO-UHFFFAOYSA-N 354.410 2.772 0 50 FFAA CN(C)C(=O)N1CCCC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 82134199 UXLAGUMQAKXLCU-INIZCTEOSA-N 354.454 2.743 0 50 FFAA CCc1cc(CN(C)C(=O)N[C@@H](CCn2cncn2)c2ccccc2)on1 426632883 NDKUXDGZBCZPQM-SFHVURJKSA-N 368.441 2.802 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239165265 NUKBSJPEHDPMKX-HBRAGZAPSA-N 370.836 2.640 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(-c4ccccn4)nn3C)C2)n1 96135826 LDKRQLJUXYYEFJ-OAHLLOKOSA-N 365.441 2.774 0 50 FFAA CCCCn1nc(Cc2ccc(OC)cc2)nc1[C@@H](C)N1CCN(C)CC1 96138296 CSZMLJROQIYMNI-QGZVFWFLSA-N 371.529 2.986 0 50 FFAA O=C(N[C@@H]1CNCC[C@H]1O)c1cc(-c2ccco2)nc2c(Cl)cccc12 91693605 XNPFAOXRECSQKI-HZPDHXFCSA-N 371.824 2.601 0 50 FFAA CCNC(=O)N1CC[C@@H](NC(=O)N[C@@H](CC)c2cc(F)ccc2F)C1 268513156 CUJRCZDEIKNIKX-DOMZBBRYSA-N 354.401 2.519 0 50 FFAA Cc1cc(C)cc(NC(=O)N2CCC3(CCC(=O)N(CC(=O)O)C3)CC2)c1 91664697 XBHCGFFRJHTJDB-UHFFFAOYSA-N 373.453 2.625 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cc(-c4ccccn4)nn3C)C2)n1 96135827 LDKRQLJUXYYEFJ-HNNXBMFYSA-N 365.441 2.774 0 50 FFAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCN(Cc2ccccn2)CC1 91462516 QTUTZLLERSRTRG-INIZCTEOSA-N 357.479 2.953 0 50 FFAA CCn1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 95355865 DICIEYMKBCIMAB-CEWLAPEOSA-N 364.493 2.914 0 50 FFAA O=C(NCCN1CCOCC1)Nc1ccc(/C=C/c2ccccn2)cc1 95522786 DQLNMDUVPOHBER-QPJJXVBHSA-N 352.438 2.706 0 50 FFAA CNC(=O)[C@@H](C)CN1CC(c2ccccc2)(c2ccccc2)CCC1=O 92066044 ZWVXYZRPGAYMME-KRWDZBQOSA-N 350.462 2.977 0 50 FFAA CCN1CCN(c2ccccc2NC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 268869802 UZHAHXPDIYATEQ-QGZVFWFLSA-N 368.485 2.751 0 50 FFAA COc1ccccc1[C@@H]1CCCN1CCC(=O)N1CCC(C(=O)O)CC1 244866571 VYMFTERATXILEU-KRWDZBQOSA-N 360.454 2.545 0 50 FFAA Cc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1 263618887 VYTZROQBAAATOA-SFHVURJKSA-N 366.396 2.927 0 50 FFAA CCCc1cc(CN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)n[nH]1 299784325 ZTUIMDRZYGRWBP-UHFFFAOYSA-N 357.458 2.657 0 50 FFAA Cc1cc2n(n1)CCN(C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1)C2 670448414 URUAFLZBGJYWIN-IBGZPJMESA-N 356.445 2.900 0 50 FFAA FC(F)Cn1nc(Cn2nccn2)nc1-c1ccc(-c2cccs2)[nH]1 1875335938 MTWNPHMAAWRGHB-UHFFFAOYSA-N 361.381 2.907 0 50 FFAA Cc1[nH]nc2c1C[C@H](C(=O)N1CC[C@H](c3ncnc4ccccc34)C1)CC2 1875301560 MUUCOEWJSBXTAO-CABCVRRESA-N 361.449 2.782 0 50 FFAA Cn1ccc2c(NC(=O)NCCN3CCc4ccccc43)cccc2c1=O 1875341599 ZMNAXXYWSYQKOI-UHFFFAOYSA-N 362.433 2.723 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 275395336 AUSFFTLOYBRFJX-GOSISDBHSA-N 366.465 2.689 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)c(C)n1 275637126 JWCVKKIPUDYUFS-INIZCTEOSA-N 371.510 2.677 0 50 FFAA Cc1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)n(Cc2ccccc2)n1 170719220 MEJWYAURZOCIES-SFHVURJKSA-N 353.470 2.942 0 50 FFAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)O[C@]2(CCc3ccccc32)C1=O 225826188 BFXMGPGCBITYFC-MNVSYLFESA-N 356.422 2.596 0 50 FFAA CNc1cc(N2CCC[C@@H]2CNc2nnc(C)cc2C(F)(F)F)ncn1 732038207 KRMLMYYMRMWMPR-LLVKDONJSA-N 367.379 2.716 0 50 FFAA CC(C)(C)c1nnc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)s1 195141480 HCDQNRKZGLGMSN-ZDUSSCGKSA-N 373.482 2.931 0 50 FFAA CCc1cnc(C)nc1N1CCN(CCOc2cccc(OC)c2)CC1 1529178859 RJXHIAUAQVELQH-UHFFFAOYSA-N 356.470 2.557 0 50 FFAA O=C(c1ccnc(N[C@H]2CCCN(Cc3cccnc3)C2)c1)N1CCCC1 1704280015 IBIBIMQPNSZGMX-IBGZPJMESA-N 365.481 2.789 0 50 FFAA COc1cccc2c(C)cc(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)nc12 1704303757 BDEVLNUAOJTSBV-WIYYLYMNSA-N 355.482 2.835 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@H](Cc4ccncc4)[C@@H](O)C3)cc2c1 1616081734 SWFOZJORRMRBRI-ICSRJNTNSA-N 363.461 2.988 0 50 FFAA COc1ccc(CCNC(=O)[C@H](OC(C)=O)c2ccccc2)cc1OC 5495612 AWSWCDNSSJHDOQ-LJQANCHMSA-N 357.406 2.667 0 50 FFAA CN(Cc1cccnc1)c1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 12307907 AYHORXQUQFSYTN-IBGZPJMESA-N 367.497 2.717 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCC[C@@H]1CCCN1C 12434426 FDYABKZKWRCKLL-KRWDZBQOSA-N 371.529 2.780 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](CCC(=O)NC2CC2)C1 12443592 FZJVNVZYGDRBKL-MRXNPFEDSA-N 373.497 2.629 0 50 FFAA Fc1cccc([C@@]2(CN3CCC(CN4CCOCC4)CC3)CCOC2)c1 19841403 AWPNHBYZTMWJTN-OAQYLSRUSA-N 362.489 2.528 0 50 FFAA CC(C)CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860076 NOHPMPHVZFPLIP-HNNXBMFYSA-N 372.918 2.654 0 50 FFAA Cc1cccc(NC(=O)Cn2c(-c3cnccn3)nc(C)c(C)c2=O)c1C 169752722 QVVFAIYJYXLLMI-UHFFFAOYSA-N 363.421 2.573 0 50 FFAA CN1c2cc(C(=O)NCc3ccc(F)cc3F)ccc2C(=O)N2CCC[C@H]21 169765898 QWDBAJVRALQUTB-SFHVURJKSA-N 371.387 2.907 0 50 FFAA CC(C)c1noc(-c2cn(C3CCN(C(=O)c4ccco4)CC3)nn2)n1 169777487 WVDXWJORWDAIQY-UHFFFAOYSA-N 356.386 2.522 0 50 FFAA CC[C@@]1(C(=O)NCCc2ccncc2)C[C@@H]2CC[C@H]1N2C(=O)c1ccoc1 1857670188 AAVNUSLGYDKEML-WAOWUJCRSA-N 367.449 2.807 0 50 FFAA Cc1ccnn1CCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857679630 ZPTXXGIRIMRRDV-ZVDOUQERSA-N 353.466 2.566 0 50 FFAA COc1cccc(CN2CC[C@@]34OC[C@@H](c5ccccc5)N3C(=O)C[C@@H]24)c1 1857731818 PRCOIQYLCJQVFX-VWPQPMDRSA-N 364.445 2.970 0 50 FFAA O=C(O)CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 4521500 XNWPGFGLHGFRRP-UHFFFAOYSA-N 366.417 2.638 0 50 FFAA in-vitro CC1(Cn2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)nn2)COC1 329775560 JHNIBSNPIDXFAD-UHFFFAOYSA-N 372.444 2.549 0 50 FFAA CCCn1ncc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)c1C 247841790 QHBRMMOCHDXKGD-PXNSSMCTSA-N 355.438 2.664 0 50 FFAA O=C(c1csnn1)N1CCC([C@@H]2CCN(CCc3ccccc3)C2)CC1 15070929 BRSUDCBPHAWRQT-GOSISDBHSA-N 370.522 2.955 0 50 FFAA CC(C)Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc(O)n1 262901480 MIDBQYHKLRKSCP-ZWKOTPCHSA-N 368.433 2.926 0 50 FFAA COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nn[nH]n4)c3)cc2c1 809775486 BYZXKTRTMBGKAZ-UHFFFAOYSA-N 360.377 2.984 0 50 FFAA Cc1nn(Cc2nccn2-c2ccccc2)c(C)c1[C@@H]1COCCN1C 852963591 VDDJHHXIVFDLTC-SFHVURJKSA-N 351.454 2.737 0 50 FFAA O=S(=O)(c1ccc(-c2cccc(O)c2Cl)s1)N1CCOCC1 2325773402 SZTPKBDDEUSVCA-UHFFFAOYSA-N 359.856 2.795 0 50 FFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C(C)(C)CNC(C)=O 2325849760 ZQIBZXJWPNDUGE-YQVWRLOYSA-N 358.482 2.952 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 927261767 LUVDFEFWQZAPQW-GCJKJVERSA-N 362.429 2.851 0 50 FFAA O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@@H]1CCCN1C(=O)c1cccs1 246743529 OIFWVMNNBATBDS-YALNPMBYSA-N 374.506 2.817 0 50 FFAA CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1 904387 NIHXMCZADALLBP-UHFFFAOYSA-N 360.468 2.856 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(Cl)c(Cl)c2)cc1 1074394 KHGQGWHDLCXOHG-UHFFFAOYSA-N 373.261 2.982 0 50 FFAA COc1ccc(CCN(Cc2ccn3ncnc3c2)C[C@@H]2CCCO2)cc1 2356153146 UGKGBAUNZZHFLU-FQEVSTJZSA-N 366.465 2.962 0 50 FFAA CC(C)(O)C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157330 GDKDRWDQOONUDD-NRFANRHFSA-N 351.450 2.721 0 50 FFAA CC(C)c1nc(-c2ccc(C(=O)N3CCC[C@@]34CCCNC4=O)cc2)no1 2356161531 YZOWYSBLLMYDQD-HXUWFJFHSA-N 368.437 2.745 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1 113215435 ZWKYVKVSRWZTEW-QGZVFWFLSA-N 364.492 2.589 0 50 FFAA CCOc1ccccc1CN(C(=O)CSc1nnc(N)s1)C1CC1 55283602 BXCVZOUOHHBOQD-UHFFFAOYSA-N 364.496 2.802 0 50 FFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CCCC[C@H]1C(=O)O 136510937 IKJKPUGGCUVLLS-GWCFXTLKSA-N 356.216 2.682 0 50 FFAA O=C(NCc1nnc2n1CCCCC2)C1(N2CCCCC2)CCCCC1 65490217 VKKLXXJSNVMVKB-UHFFFAOYSA-N 359.518 2.810 0 50 FFAA CCOc1ccccc1NC(=O)CCN1CCC(Nc2cccnn2)CC1 137121343 KOARIPYHSXADKN-UHFFFAOYSA-N 369.469 2.780 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3c(C)cccc3C)CC2=O)cc1 72164420 DLDYUCLDTUKJPO-SFHVURJKSA-N 366.461 2.885 0 50 FFAA CCN(C)C(=O)[C@H](C)NC(=O)NCc1ccc(OCc2ccccc2)cc1 252488500 ITFRILFGQTWLCD-INIZCTEOSA-N 369.465 2.932 0 50 FFAA CCOc1ccc2[nH]c(=O)c(CN3CCC(N4CCCC4)CC3)cc2c1 67540633 CAVODXPCNCOWHG-UHFFFAOYSA-N 355.482 2.987 0 50 FFAA CCNc1ccnc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)n1 65498901 RBMSULCZGIFOLL-UHFFFAOYSA-N 365.481 2.710 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCN(Cc2cccs2)CC1 68276450 ZDJVZPQGZKFRFT-UHFFFAOYSA-N 371.506 2.663 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cnn4ccccc34)CC2)OC1=O 77422675 OEILROLBNQXSDG-HNNXBMFYSA-N 370.453 2.950 0 50 FFAA COC(=O)[C@@](O)(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2764719 YNPLACAHMXLMFE-NSHDSACASA-N 360.115 2.788 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(-c2nc[nH]n2)cc1 77299392 SJEYPSYSISHZKT-IBGZPJMESA-N 361.449 2.600 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)CCc2ccoc2)[C@@H]1c1cnn(C)c1 328624685 JZFBHFCNQYSSSJ-FXAWDEMLSA-N 358.486 2.877 0 50 FFAA Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCCNC2)o1 123994743 VNSMRAAKRCZODF-HNNXBMFYSA-N 350.422 2.923 0 50 FFAA Nc1cc(N2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)ncn1 77517239 XZQFCPYYHUWLOZ-UHFFFAOYSA-N 371.872 2.731 0 50 FFAA CN(CC(F)(F)F)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 374416129 PNCSLVDKWZEOPR-LLVKDONJSA-N 353.385 2.980 0 50 FFAA Cn1cc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(-c2cccnc2)n1 375298195 AIKFESMTVPMZTH-NRFANRHFSA-N 359.433 2.578 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCN(C)c2ccccc21 285053333 JNXHQWHLLIKGLZ-CRAIPNDOSA-N 354.454 2.854 0 50 FFAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)COCc3ccccc3)CC[C@H]21 72426417 QFWCOKSPZOAKLD-RBUKOAKNSA-N 358.482 2.699 0 50 FFAA CC1(C)CCC(C)(C)c2cc(C(=O)NCc3cn(CC(=O)O)nn3)ccc21 262835029 SHEIWDOKOFMGDE-UHFFFAOYSA-N 370.453 2.642 0 50 FFAA CCO[C@H](C)c1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cs1 236925534 KOMLTUODQSJEAM-WBMJQRKESA-N 374.462 2.821 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N[C@H]3CCCN(C(=O)C4CC4)C3)c2c1 77321485 ZPZSCJBRXRMSNB-INIZCTEOSA-N 351.450 2.982 0 50 FFAA O=C(C1CCCC1)N1CCC(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1 77424295 IHCDFKYOLSXSFL-QGZVFWFLSA-N 358.486 2.545 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3cccc4[nH]c(C)nc34)CC[C@H]21 72428950 PKDSJTPHQCKYJL-WMLDXEAASA-N 354.454 2.734 0 50 FFAA CCc1c(C)sc(NC(=S)N2CCN3CCC[C@@H]3C2)c1C(=O)OC 17075498 XNZJQYOMKHHREE-GFCCVEGCSA-N 367.540 2.882 0 50 FFAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnc(C)[nH]2)cc1 239637125 BIZIRONUEPXTOV-TWKFVSLJSA-N 360.483 2.590 0 50 FFAA Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccnc1 239722559 CDJLMSARZYDHIL-MRXNPFEDSA-N 357.458 2.609 0 50 FFAA C[C@H](C(=O)NCc1cnc2cnccn12)N1C(=O)c2cccc3cccc1c23 220232942 FZKXUGSGPBLMHE-CYBMUJFWSA-N 371.400 2.548 0 50 FFAA COCc1nc(C)c(CNC(=O)[C@H]2CCCN(Cc3ccco3)C2)s1 223714025 QKLWDYPSKAJLBF-AWEZNQCLSA-N 363.483 2.719 0 50 FFAA Cc1cccc(CN2CCN(C(=O)NCCCC[C@H]3CCCO3)CC2=O)c1 426399362 GLCHGWLWBHSNKO-IBGZPJMESA-N 373.497 2.698 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N1CCC(CCn2cccn2)CC1 223125871 XGQKBZIEKKXVMF-UHFFFAOYSA-N 364.449 2.527 0 50 FFAA Cc1cccc(N2CCN(CCC(=O)NCCCc3ccncc3)CC2)c1 222539528 TYUXFOBTGIZKCP-UHFFFAOYSA-N 366.509 2.651 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1ccccc1-n1cnnc1 426504131 XKOPLBAJJPPMFF-UHFFFAOYSA-N 350.357 2.555 0 50 FFAA COc1ccc(F)cc1-c1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)cc1 426737570 WOFDTOVAICFEFB-ZDUSSCGKSA-N 356.397 2.804 0 50 FFAA COc1cc2c(cc1NC(=O)N1CCc3sccc3C1)n(C)c(=O)n2C 96132530 JRBSFZDWELCLCF-UHFFFAOYSA-N 372.450 2.537 0 50 FFAA Cc1nc2c(c(NCCC(=O)N3CCCC3)n1)Cc1ccccc1OC2 95526975 HHPHFWJXRHWOOT-UHFFFAOYSA-N 352.438 2.693 0 50 FFAA O=C(NCCN1CCNCC1)c1cccc(-c2cc(Cl)ccc2F)c1 426510136 NAOOKLZHFLSMLK-UHFFFAOYSA-N 361.848 2.781 0 50 FFAA CC[C@@H](NC(=O)c1ccc(-c2ccc(C(=O)NC)o2)cc1)c1ccnn1C 426369081 ABCBXOHKFKWETO-OAHLLOKOSA-N 366.421 2.921 0 50 FFAA CN(C)C[C@@H]1COCCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 96152437 HXSBQBVRZRUHLD-INIZCTEOSA-N 370.453 2.916 0 50 FFAA O=S1(=O)CC[C@@H](n2nc(C3CC3)nc2-c2ccccc2-c2ncc[nH]2)C1 96160834 HVVULNGWKWKZMR-CYBMUJFWSA-N 369.450 2.572 0 50 FFAA CNC(=O)c1cccc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)n1 95378830 VTCKIRZVTDVJFW-OAQYLSRUSA-N 370.497 2.593 0 50 FFAA O[C@@H](c1nc(-c2ccncc2)nn1CCc1cnc[nH]1)C1CCCCC1 97294646 MUGYYHYJQUIBRE-QGZVFWFLSA-N 352.442 2.920 0 50 FFAA CCCc1cc(N2CCC(NCc3nnc(CC)s3)CC2)nc(C)n1 96153024 ATEFJUHUWCNNTL-UHFFFAOYSA-N 360.531 2.910 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ccc(F)cc2)CC1 91664497 JSXCCNDZZSPTCC-KRWDZBQOSA-N 371.456 2.980 0 50 FFAA O=C(NC[C@@H]1OCCc2ccccc21)C1CCN(Cc2ccco2)CC1 95384777 JVKNVZUKRHDBPU-FQEVSTJZSA-N 354.450 2.922 0 50 FFAA Cc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)nc2c1CCCC2 95497927 XACMMVBCTJQZGW-MRXNPFEDSA-N 351.450 2.574 0 50 FFAA O=C(NCCc1noc([C@H]2CCCO2)n1)Nc1cccc2cccnc12 97076348 VMANMEXOQLLTQO-CQSZACIVSA-N 353.382 2.834 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1c[nH]c(CC3CCCC3)n1)C2 95383159 IKMWGBQGHPUFJW-UHFFFAOYSA-N 371.485 2.762 0 50 FFAA O=C(CCc1ccc(O)cc1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91410061 RSFHAJWSJRTVGO-FUHWJXTLSA-N 371.506 2.904 0 50 FFAA CCNC(=O)c1cccc(NC(=O)N(C)CCCc2cnn(C)c2)c1C 95505730 APVICJYIMBAWDA-UHFFFAOYSA-N 357.458 2.575 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(-n2cncn2)cc1)C1CC1 95498475 NYTDWTQHEWEMQY-UHFFFAOYSA-N 365.441 2.814 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2 91859164 SMKLRMYTFDFDAW-UHFFFAOYSA-N 358.486 2.600 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)CN(C)Cc1ccccc1F)C2 95379046 RZINGOVYSZTLSL-HNNXBMFYSA-N 372.440 2.634 0 50 FFAA Cc1ccnn1CC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91644291 KPWODZPNEIRVGE-GFCCVEGCSA-N 359.380 2.841 0 50 FFAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC(CCn2cccn2)CC1 95364189 KGXCCRZONLFFKE-UHFFFAOYSA-N 365.437 2.921 0 50 FFAA Cn1c(CN2CCCCCC2)nnc1C1CCN(C(=O)CC2CC2)CC1 91985643 TVWQVEGKVSZBAH-UHFFFAOYSA-N 359.518 2.697 0 50 FFAA Cc1cc(CNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)c(C(F)(F)F)o1 244691847 JKAIOWCIZJJTPN-TXEJJXNPSA-N 371.363 2.571 0 50 FFAA CCNc1ccc(-c2ccc(C(=O)NCCc3nnc(C)s3)cc2)nn1 534662593 LWQAVDARLAWVBR-UHFFFAOYSA-N 368.466 2.708 0 50 FFAA CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 33808206 VKDLWRXLLHHOLB-UHFFFAOYSA-N 360.479 2.985 0 50 FFAA Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 299756938 IVHOHNLQECIWSS-GFCCVEGCSA-N 356.451 2.570 0 50 FFAA CN(CCc1cnn(C)c1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299797068 QXKDDFKUUYASTO-ZCNNSNEGSA-N 352.482 2.647 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)Nc1ccc2scnc2c1 299777197 PHZZSFAMFSWZKJ-LBPRGKRZSA-N 359.411 2.895 0 50 FFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc2nc(O)cc(C)c2c1 823086412 KSHQVSBLJGDROF-CQSZACIVSA-N 364.467 2.829 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)C2(N3CCCC3)CCCC2)n1 825264440 LPGDIKIUWGAURV-UHFFFAOYSA-N 356.392 2.829 0 50 FFAA COc1ccc(Cc2nc([C@@H]3CC(=O)N(c4ccc(O)cc4)C3)n[nH]2)cc1 824674649 WWTQMVHTDYJCDH-CQSZACIVSA-N 364.405 2.630 0 50 FFAA O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)cc2Cl)CN1C1CCCC1 670453460 OWERGWGOXYXXOW-NSHDSACASA-N 374.865 2.549 0 50 FFAA C=CC(=O)N1CCC(C(=O)O[C@@H]2CCCc3cc(C(=O)OC)ccc32)CC1 1875382969 ZUFHITXTTFBWPA-GOSISDBHSA-N 371.433 2.818 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)CSc3nccc(C)n3)C2)c1OC 952978117 XHMNMQDIHLIIBS-AWEZNQCLSA-N 373.478 2.910 0 50 FFAA Cc1cccn2c(CC(=O)N3CCC[C@@H](OCc4ccccn4)C3)cnc12 952986613 FFSZCSQSWXPUOF-LJQANCHMSA-N 364.449 2.788 0 50 FFAA Cc1cnccc1N1CCCN(S(=O)(=O)c2cc(F)ccc2C)CC1 952990876 UOXQEEREOIDFHC-UHFFFAOYSA-N 363.458 2.739 0 50 FFAA COc1ccc(NC(=O)c2ccc3nccnc3c2)cc1C(=O)N(C)C 952982617 ZQQHRRBRJRQSSH-UHFFFAOYSA-N 350.378 2.593 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 952967195 YOBMPKHBBJMOEX-UHFFFAOYSA-N 369.465 2.727 0 50 FFAA Cc1ccsc1[C@@H](CNC(=O)CN1CCOc2ccccc2C1)N(C)C 952983174 STNZBNBWGOHPGB-QGZVFWFLSA-N 373.522 2.670 0 50 FFAA CN(C)c1ccc([S@](C)(=O)=NCc2cnc(C3OCCO3)s2)cc1 895735070 SEQGBKFSNSLJJW-DEOSSOPVSA-N 367.496 2.911 0 50 FFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C2 186019974 BBCOMIMOCNVYAM-SUHUHFCYSA-N 365.421 2.939 0 50 FFAA O=C(COc1cccnc1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278480686 UZKHHWQYSBDFLK-LLVKDONJSA-N 354.332 2.609 0 50 FFAA C[C@@H]1CCCC[C@H]1OCC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 170626368 LGEYFMBYOHCZJM-ZTFGCOKTSA-N 362.445 2.985 0 50 FFAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cccc(OC(C)C)n3)n2)c1 225644119 UYQVDNDFHVTKBM-CYBMUJFWSA-N 366.425 2.848 0 50 FFAA Cc1noc(C2CCN(C(=O)NCCc3ccc(F)c(F)c3)CC2)n1 190360349 FCYROWMKXUCMKY-UHFFFAOYSA-N 350.369 2.788 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)Nc1ccn(Cc3ccncc3)n1)CO2 195313749 GWCVQSLSSGLEIH-INIZCTEOSA-N 364.405 2.525 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)O[C@H]1CCN(c2cccc(Cl)c2)C1=O 777084758 AOXCKEMEEGVKTL-KRWDZBQOSA-N 373.840 2.833 0 50 FFAA Cc1nn(C(C)(C)C)cc1C(=O)NS(=O)(=O)c1cccc2cnccc12 784865695 PEORCFOLFUOTEA-UHFFFAOYSA-N 372.450 2.613 0 50 FFAA O=C(c1cncc(N2CCC([C@H](O)c3cccs3)CC2)n1)N1CCCC1 1506420881 LSVOHJFETPFECU-SFHVURJKSA-N 372.494 2.724 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)CCc2cccc(Cl)c2)C[C@@H]1O 1704337408 WOFNLTJUBVIGLV-YJBOKZPZSA-N 353.846 2.737 0 50 FFAA COc1ccc(-c2noc(CN(C)C[C@H]3CCC(=O)N(C(C)C)C3)n2)cc1 1775980217 UWCFOEKGJUEXLM-OAHLLOKOSA-N 372.469 2.824 0 50 FFAA O=C(NCCCc1ccccn1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 11938638 BWAXATSVGRJUOU-GOSISDBHSA-N 357.498 2.949 0 50 FFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1=O 19878860 GLVBTYQZFJNXBR-OAHLLOKOSA-N 371.370 2.538 0 50 FFAA O=C(c1c[nH]nc1-c1ccccc1F)N1CCN(Cc2ccccn2)CC1 152183104 ODGVLDBBLFLUEV-UHFFFAOYSA-N 365.412 2.569 0 50 FFAA Cc1ccccc1CN1CCOC2(CCN(Cc3ncc[nH]3)CC2)CC1=O 1857692037 LOPNEIHWGZETBC-UHFFFAOYSA-N 368.481 2.502 0 50 FFAA c1ccc(-n2nccc2-c2nccn2C[C@H]2CC3(CCNCC3)CO2)cc1 1857696656 KLFCPDHHPUGKES-GOSISDBHSA-N 363.465 2.895 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)CC1CCC1)CC2 328749347 QBCWRBUOYYBIKZ-HNNXBMFYSA-N 369.556 2.559 0 50 FFAA O=C(O)CCN(C(=O)c1ccccc1Br)C1CCOCC1 238075844 PFOAVIHNHFPWAR-UHFFFAOYSA-N 356.216 2.545 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CC12CCOCC2 238146398 CGGMKQGVIJMRSV-ZDUSSCGKSA-N 353.365 2.585 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1sccc1Br 238108308 DFZUPGMYXXIHAQ-SECBINFHSA-N 362.245 2.607 0 50 FFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Br)cc1Cl 131799199 BOFOGVQMXOPFOE-WPRPVWTQSA-N 367.696 2.603 0 50 FFAA Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c2c(C)nn(C)c2n1 2100534349 DTABQFVFRAAJCB-WNKDZCFJSA-N 369.513 2.776 0 50 FFAA CN(C)c1noc([C@H]2CCCN2C(=O)Cc2cncc3ccccc23)n1 2325760668 PCLNXVOTPBWRGK-MRXNPFEDSA-N 351.410 2.590 0 50 FFAA O=C(O)[C@@H]1C[C@H]1C1CN(C(=O)CCc2ccccc2Br)C1 2325812985 ZPYLQOOILACOMD-QWHCGFSZSA-N 352.228 2.561 0 50 FFAA CN(C(=O)Cc1cc[nH]c1)C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 2325823599 ZCDPLTVXOSADHD-FQEVSTJZSA-N 365.477 2.737 0 50 FFAA CC(C)(C)c1ccc([C@@H]2CNCCN2C(=O)c2ccn3nccc3n2)cc1 2325857983 WTKDLISXVWNMKW-SFHVURJKSA-N 363.465 2.814 0 50 FFAA C[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1NC(=O)c1ccncc1 957776065 XRSMVEOMDWAXJI-AUUYWEPGSA-N 360.417 2.520 0 50 FFAA Cc1ccc(Cn2nc(C)c(NC(=O)c3nc4ncccn4n3)c2C)cc1 924018 NXCIXDCQKABTJQ-UHFFFAOYSA-N 361.409 2.547 0 50 FFAA CCC(=O)NC(=S)Nc1ccc(Cl)c(NC(=S)NC(=O)CC)c1 1155913 IRSHDSHHLGLZRJ-UHFFFAOYSA-N 372.903 2.786 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2cc(F)cc(F)c2)CC[C@@H]1O 2356136204 KMGNJNFWQCRVLC-MAUKXSAKSA-N 355.381 2.679 0 50 FFAA COC(=O)c1cc(C)sc1NC(=S)N[C@@H](C)c1cn(C)nc1C 2853511 UEMFGYZRZLEAHJ-VIFPVBQESA-N 352.485 2.933 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)Nc2ccc(F)c(F)c2)C1 2356159898 UWUKBBZGMTUGHI-GOSISDBHSA-N 359.380 2.679 0 50 FFAA CC[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 4833669 AJSIEHLMUSCGDN-VYROHLMNSA-N 352.228 2.984 0 50 FFAA CC1=C(C)C[C@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@@H](C(=O)O)C1 6741885 RHAWVMBDVZUSKT-OALUTQOASA-N 374.456 2.917 0 50 FFAA C[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H]2CCCC[C@@H]12 248436573 SCWPZFQLIAEANU-NJAFHUGGSA-N 360.502 2.742 0 50 FFAA CC(C)c1n[nH]c2c1CN(Cc1ccc(Sc3nncn3C)o1)CC2 23192467 OSJSOHMWDAHKIS-UHFFFAOYSA-N 358.471 2.964 0 50 FFAA CC[C@@H](C)CNC(=O)c1cn2cc(-c3ccc(F)cc3)n(C)c(=O)c2n1 72438213 VBAMEPDCOLPRSO-GFCCVEGCSA-N 356.401 2.615 0 50 FFAA Cc1cc(I)ccc1OCCCN1CCOCC1 20639237 UJRQREJFADKGKP-UHFFFAOYSA-N 361.223 2.701 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67868669 WTKAPIFDMCWSRV-MRXNPFEDSA-N 350.846 2.643 0 50 FFAA CC(=O)N(C)c1ccc(Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1 252500931 TZTLXFVTVJDGIV-UHFFFAOYSA-N 370.434 2.760 0 50 FFAA CCC(CC)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cn1 67740386 AUHXIILZVIVGIO-UHFFFAOYSA-N 360.502 2.619 0 50 FFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](N(C)Cc2ccccc2)C1 22851333 MVZAVMFCEGZCJE-GOSISDBHSA-N 356.470 2.683 0 50 FFAA C[C@H](c1cccc(-c2cncc(C(=O)N3CCOCC3)n2)c1)N1CCCC1 65384617 LPEWLOABVCSKNJ-MRXNPFEDSA-N 366.465 2.773 0 50 FFAA O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@H]1CO 12302339 BMMXYLWJXYXPMU-SFHVURJKSA-N 362.433 2.513 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c1C1CC1 155423238 GETOSHZAKGFANI-MRXNPFEDSA-N 370.501 2.931 0 50 FFAA C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCC(Cn2ccnn2)CC1 155633836 SYOZYMCDYQEXAU-CYBMUJFWSA-N 370.482 2.627 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-n2nc(C)cc2C)c1 77542119 ADSYTZRPOWVYLJ-IBGZPJMESA-N 368.481 2.962 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCC[C@H]2c2cnn(C)c2)n1 328624838 CQQWTPNZHYXAGN-LNLFQRSKSA-N 370.501 3.167 0 50 FFAA O=C(NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 77471374 LBTPDXULTNKOMQ-UHFFFAOYSA-N 352.434 2.624 0 50 FFAA N=C(O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 328657175 OMPHKFKDNHQNSF-OCCSQVGLSA-N 351.834 2.667 0 50 FFAA O=C(Cn1cnc2ccccc21)N1CCCN(Cc2ccc(F)cc2)CC1 77285099 HUQAEELDAFTCAQ-UHFFFAOYSA-N 366.440 2.910 0 50 FFAA COc1cccc([C@@H]2CN(Cc3cnn(C)c3C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72169855 HAWQNXHUPQYFEL-BHDDXSALSA-N 366.509 2.799 0 50 FFAA CN1CCC(N(Cc2cccnc2)C(=O)Cc2ccc(O)c(F)c2)CC1 72438877 OPYBRUOXVVWFTC-UHFFFAOYSA-N 357.429 2.592 0 50 FFAA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2cc(C3CC3)on2)on1 329920358 GYXIXRWMUNZPLS-KBPBESRZSA-N 362.405 2.533 0 50 FFAA O=C(c1ccccc1COC1CCOCC1)N1CCC[C@@H](c2nc[nH]n2)C1 330175689 JILGGKXYUGYJHK-OAHLLOKOSA-N 370.453 2.520 0 50 FFAA CCn1ncc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1C 39420790 UFMIAFHYDFOVLY-JOCHJYFZSA-N 370.541 2.713 0 50 FFAA Cc1cc(C)n2nc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2n1 77470104 KBMKHAZQDUOAHM-UHFFFAOYSA-N 360.421 2.804 0 50 FFAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1ccoc1C1(O)CCOCC1 370204640 RZKFRZVAMAHCFC-RYQLBKOJSA-N 353.418 2.736 0 50 FFAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C 371931948 PWXWYQWGNXUHSN-KDOFPFPSSA-N 369.509 2.834 0 50 FFAA CCCc1nc(N2CCC(CCn3cccn3)CC2)c2cnn(C)c2n1 72462690 RETRYEYSQZDKLE-UHFFFAOYSA-N 353.474 2.819 0 50 FFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1nnc(O)c2ccccc12 374790140 BGUAABRIRKGKGB-AGUYFDCRSA-N 363.421 2.620 0 50 FFAA COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cc1OC 262410076 NWOQLXFVYYTQDM-KRWDZBQOSA-N 369.417 2.675 0 50 FFAA C[C@H](CC(=O)N1CCCN(C(=O)CC2CCCC2)CC1)C1CCNCC1 262626707 SSMXQQSEAPXTEI-QGZVFWFLSA-N 363.546 2.653 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 72121703 AKAPSYLAGMEJDE-UHFFFAOYSA-N 366.421 2.636 0 50 FFAA COc1cc(N2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)ncn1 72435183 SDMKQCSITIXYHT-NRFANRHFSA-N 366.465 2.894 0 50 FFAA C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cc1ccc(C(=O)O)cc1 263366841 WJBKBKIMDBHUQW-ZJWNCGCPSA-N 359.447 2.884 0 50 FFAA Cc1ccc(OCCN(C)c2cc(N3CCC[C@@H](CO)C3)ncn2)cc1 246169008 NUZWJTZMFHCXCD-QGZVFWFLSA-N 356.470 2.509 0 50 FFAA O=C(NC[C@H]1CCCN(C(=O)c2ccc3nccn3c2)C1)c1ccccc1 176830256 MWHWJTJZVQCTEI-MRXNPFEDSA-N 362.433 2.617 0 50 FFAA CCc1oc(C(=O)N2CCn3nc([C@H](C)O)cc3C2)cc1CN(CC)CC 222620782 WIFDEVFYSLCSBC-AWEZNQCLSA-N 374.485 2.590 0 50 FFAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2cncc(N)c2)c1 426544413 PKVSIUNWHPWDGH-FQEVSTJZSA-N 368.481 2.514 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 95386133 GETSTFOCDOLLCL-GOSISDBHSA-N 369.513 2.531 0 50 FFAA C[C@@H](O)c1ccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)cc1 426379630 FICSDWNXNRRDPN-MRXNPFEDSA-N 368.477 2.593 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)cc1 95391166 BAGJYQPHOOCICH-SFHVURJKSA-N 370.497 2.863 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@H](c2nncn2C)C1 91915231 KCSCRZUCLFLOCY-ZDUSSCGKSA-N 355.417 2.693 0 50 FFAA Cc1ccc([C@@H](CNc2nccc(-c3cccnc3)n2)N2CCOCC2)o1 97785382 UHKGJVAEWKOMIX-GOSISDBHSA-N 365.437 2.925 0 50 FFAA CC(C)[C@@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nc(C2CC2)no1 95354716 NJFZQGAEWZNKPH-MRXNPFEDSA-N 374.485 2.799 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2)NCc1ccco1 91997567 VHQOAZLBLDMKAQ-VQTJNVASSA-N 367.493 2.882 0 50 FFAA COc1ccccc1-c1ncc(CN(C)CCN2CCCCC2=O)cn1 97797652 NZINDKYEDUPVOG-UHFFFAOYSA-N 354.454 2.597 0 50 FFAA CN(C)c1ccc(S(=O)(=O)N2C[C@H]3CCCCN3c3ccccc32)cn1 294425260 DSLUDLKQUBZCPS-OAHLLOKOSA-N 372.494 2.715 0 50 FFAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccccc1-c1nc[nH]n1 97681850 OUSUVSRNHNQYRB-HNNXBMFYSA-N 361.449 2.648 0 50 FFAA Cc1cc(C(F)(F)F)cc(N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)n1 91645393 NITWHFSPHBJYLG-KRWDZBQOSA-N 370.419 2.542 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1csc(CSC)n1)C2 95385128 FRLQDMLILXFXFF-LBPRGKRZSA-N 364.492 2.882 0 50 FFAA Cn1nc2cccc(NC(=O)NC[C@@H]3CCCN(Cc4ccco4)C3)c2n1 97551430 BKECSLNDIZELFG-AWEZNQCLSA-N 368.441 2.595 0 50 FFAA Cn1cc(CCN2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)cn1 91305916 LQIJFRVSUBCMAE-UHFFFAOYSA-N 366.509 2.867 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)C1 91779240 RBJDLXMTOVTTPD-OAHLLOKOSA-N 372.444 2.667 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NC[C@H]1CCOc2ccccc2C1 95370457 BOMJBJHPYIXGTN-INIZCTEOSA-N 362.429 2.759 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)C[C@H]2NC(=O)c3ccccc32)c1C 244858642 VPGWMHOOISKDDD-MRXNPFEDSA-N 353.422 2.540 0 50 FFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1ccc2[nH]ccc2c1 252572635 ZPJKAWMMKUNEKL-QGZVFWFLSA-N 362.389 2.822 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)N[C@@H](c1nccn1C)C1CC1 534648569 VQLLLSIOXNIMTJ-QGZVFWFLSA-N 358.467 2.738 0 50 FFAA Cc1nnc(-c2cccc(-c3ccc(NCCN4CCOCC4)nc3)c2)o1 96151739 IDQHENDBIIMHNB-UHFFFAOYSA-N 365.437 2.851 0 50 FFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1cccc2ncccc12 67822000 OMZDHTZQBLQPMH-UHFFFAOYSA-N 350.422 2.526 0 50 FFAA Cc1noc([C@@H]2CCCN2C(=O)c2cccc(C3=CCCS3(=O)=O)c2)n1 299770620 XCKFMGBIAKGFHP-HNNXBMFYSA-N 373.434 2.515 0 50 FFAA CCc1nccn1CCCNC(=O)c1ccc(-c2cc(C)nnc2O)cc1 584887889 OAGAUQXVEILUIF-UHFFFAOYSA-N 365.437 2.737 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3nnc(C)c4ccccc34)c2)C1 584895623 QCCXXUMQWJYUAX-SFHVURJKSA-N 374.444 2.956 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 670457942 WLZUTUAXGPFBAG-CYBMUJFWSA-N 362.813 2.602 0 50 FFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)c1c(C)nc2ncccn12 952969556 OEYGTEBQFUPLDB-UHFFFAOYSA-N 362.437 2.927 0 50 FFAA C[C@@H]1CN(c2cc(Cl)ccc2Cl)CCN1C(=O)c1cc[n+]([O-])cc1 888093151 RWVMPMQEBRGKAX-GFCCVEGCSA-N 366.248 2.978 0 50 FFAA COc1nc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc2ccccc12 279184004 IRDSVACLSLLHFT-CQSZACIVSA-N 356.422 2.654 0 50 FFAA C[C@]1(C(=O)NCCn2c(S)nnc2C2CC2)CCc2ccccc2C1 170644354 PSYAIWOWCUALGB-IBGZPJMESA-N 356.495 2.756 0 50 FFAA Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc4ccccn34)c2)n1 410333912 SFZBERVUIDGQGS-UHFFFAOYSA-N 371.447 2.962 0 50 FFAA CCn1c(=O)n(CCC(=O)N2CCc3cc(F)ccc32)c2ccccc21 225761174 QUVGBFZKHIUJMX-UHFFFAOYSA-N 353.397 2.941 0 50 FFAA CC(C)c1nnc2n1CCN(CC(=O)N(C)Cc1ccccc1F)[C@@H]2C 189554753 UPICSBMINLLDOD-CQSZACIVSA-N 359.449 2.576 0 50 FFAA Cc1nc2ccc(C(=O)Nc3ccnn3C3CCN(C)CC3)cc2nc1C 1506399614 IAGMDLLMNGCZCW-UHFFFAOYSA-N 364.453 2.962 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N(C)Cc2ccsc2)OCC(=O)N1C 1529094755 LOCSDZFXTPFHFR-MSOLQXFVSA-N 358.463 2.613 0 50 FFAA COc1ccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c(Cl)c1OC 1529111399 XFWRCTNDTSVHAS-HZPDHXFCSA-N 366.889 2.652 0 50 FFAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cn(Cc2ccccc2F)nn1 11662071 UGSZCUWOMXMTLT-ZDUSSCGKSA-N 356.405 2.639 0 50 FFAA CCCCN(C)C(=O)Cn1c([C@@H]2CCCN2C(C)=O)nc2ccccc21 15922111 ULDMWIDHZODFLE-SFHVURJKSA-N 356.470 2.978 0 50 FFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 16527105 ONQQLMKVMVPYKH-UHFFFAOYSA-N 351.381 2.630 0 50 FFAA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccc1 19535748 PHIPAXHASXZJAR-UHFFFAOYSA-N 350.422 2.621 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 19842813 XLTOZDWIHNLQMK-UHFFFAOYSA-N 356.900 2.908 0 50 FFAA C[C@H](NC(=O)c1nnn(-c2ccccc2)c1-n1cccc1)c1ccccn1 206649216 NGBHPDCTGSCRBH-HNNXBMFYSA-N 358.405 2.944 0 50 FFAA CCCCc1ccc(S(=O)(=O)N2CCN3C(=O)OC[C@@]3(CC)C2)cc1 1857666727 IAHQFUNTMXJKFB-GOSISDBHSA-N 366.483 2.635 0 50 FFAA NC(=O)c1cccc2c1CCCN2C(=O)Cc1ccccc1OC(F)F 118209114 MNRDUJIMSSKDBU-UHFFFAOYSA-N 360.360 2.909 0 50 FFAA C[C@@H]1OCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 331740541 XBYYNZUKXAONDB-CABZTGNLSA-N 366.215 2.540 0 50 FFAA CNC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 237183036 ZXGMYVDDVKWJBH-NEPJUHHUSA-N 373.266 2.814 0 50 FFAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc(Br)cc2C1 765293981 QRQJLVHBDHHDBO-BZNIZROVSA-N 364.287 2.957 0 50 FFAA O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccccc2Cl)C1 498917479 HDTSSTBTBZBTSD-ZDUSSCGKSA-N 353.253 2.975 0 50 FFAA Cn1cc(-c2nnc(N3CCC[C@H]4CCC[C@H]43)n2CC2CC2)ccc1=O 910456442 OPLPVPGIHLOELR-NVXWUHKLSA-N 353.470 2.823 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2c(Br)cccc21 331655586 WIFOPTORPYCTEU-UHFFFAOYSA-N 356.245 2.540 0 50 FFAA O=C(N1C[C@H]2C(F)(F)C(F)(F)[C@]2(Cl)C1)C(F)(F)c1cncs1 2325769908 PCWUVUYKSBSASR-XRGYYRRGSA-N 364.698 2.955 0 50 FFAA NS(=O)(=O)c1ccc(OCc2conc2C(F)(F)F)c(Cl)c1 2325841525 YNVFGJGHRFFARB-UHFFFAOYSA-N 356.709 2.573 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 2325888294 DKMOMNWCTBSLCV-QGZVFWFLSA-N 372.440 2.672 0 50 FFAA Cc1cc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2cc1C 703714 WYKOEAHQFQZETQ-UHFFFAOYSA-N 372.446 2.935 0 50 FFAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2 1102776 KJQTYVCCEUSUJW-UHFFFAOYSA-N 354.391 2.727 0 50 FFAA O=C(NCCc1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 4547191 KKTHHGFLOBMJQP-UHFFFAOYSA-N 366.461 2.986 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2-n2ccnc2)C1 115881372 JXTJMEYRMWTTJF-KRWDZBQOSA-N 368.481 2.773 0 50 FFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc2CC1 116069579 DSDBDYVRIILEAD-IBGZPJMESA-N 352.434 2.581 0 50 FFAA Cc1cccc([C@@H](C(=O)NC2CCN(Cc3ccccn3)CC2)N(C)C)c1 65372732 SEKPIYVBNMYGIY-NRFANRHFSA-N 366.509 2.774 0 50 FFAA O=C(NCc1cccnc1Oc1ccccc1)c1cccc(-n2cnnc2)n1 67834235 RQCAHXLMSGJUDP-UHFFFAOYSA-N 372.388 2.780 0 50 FFAA NCCc1nc(N(CCCCO)Cc2ccccc2)c2ccccc2n1 65420534 NDBMDKSPOSWIFK-UHFFFAOYSA-N 350.466 2.910 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CN1CCc2ncccc2C1 67788026 QEUOCQGLBNRCCN-QFIPXVFZSA-N 371.525 2.764 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CCN(c2ccccc2F)CC1 64334358 WCNYXLQXBSGGLK-UHFFFAOYSA-N 369.440 2.625 0 50 FFAA CC(C)n1cc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cn1 20451983 KUYVVCRHPIKEMS-NRFANRHFSA-N 356.514 2.575 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N(CCOc1ccccc1)C[C@@H]1CCCO1 1506423275 VICLPSMAWDZJEU-SFHVURJKSA-N 357.454 2.656 0 50 FFAA Cc1ccc(-c2nnc(CCC(=O)NCCCn3ccnc3C)o2)s1 67869144 OIUGPCPUXPOQTO-UHFFFAOYSA-N 359.455 2.751 0 50 FFAA C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)O1 252482321 DCWBPKHQXKMVAB-PSTGCABASA-N 363.845 2.948 0 50 FFAA O=C1Nc2ccccc2CC[C@@H]1N1CCC(CCCN2CCOCC2)CC1 252507370 WJKXSUMCTOFUIR-NRFANRHFSA-N 371.525 2.764 0 50 FFAA Cc1cc(CN(C)C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)no1 67676153 KLHMXRQGFIPOBO-FQEVSTJZSA-N 363.502 2.739 0 50 FFAA COc1ccc(-c2nc(CN(C)C[C@H](O)CO)c(C)o2)c2ccccc12 67847695 BDOCQSGNKAXARK-AWEZNQCLSA-N 356.422 2.597 0 50 FFAA Cc1cncc(NC(=O)c2ccc(CN(C)Cc3cnc(N)nc3)cc2)c1 65427168 ZPFIQNLUHYMUTE-UHFFFAOYSA-N 362.437 2.647 0 50 FFAA Cc1nn(C)c(C)c1NC(=S)NC1CCN(Cc2ccccc2)CC1 6232686 BODOGDOEUBLDJW-UHFFFAOYSA-N 357.527 2.988 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3c3c(C)n[nH]c3C)n[nH]2)cc1 329065430 WDIAIWFQXQGGIR-SFHVURJKSA-N 365.437 2.939 0 50 FFAA Cc1ccc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)nn1 77505595 SXDSYSNWXBDQNA-UHFFFAOYSA-N 367.501 2.691 0 50 FFAA Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCC1CCC(C(F)(F)F)CC1 486867636 HMLBORXHLROBGF-UXTNIJRTSA-N 358.408 2.698 0 50 FFAA CCn1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)Nc2ccccc2)c1C 72463310 IJIRAQNBVOBXIZ-SFHVURJKSA-N 369.465 2.995 0 50 FFAA CS[C@@H](C)C(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)O)CC1 72475252 ZGENGNKFALFIIU-LBPRGKRZSA-N 355.431 2.710 0 50 FFAA O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCOC[C@@H]1[C@H]1CCCO1 376248754 FPNGPEYKNAFXQR-IAGOWNOFSA-N 366.408 2.586 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@@H](NC(C)=O)C3)c(C)o2)c(C)c1C 71638918 XSPMMGZLYAVYSS-MRXNPFEDSA-N 357.454 2.986 0 50 FFAA O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H](C(=O)O)[C@H]1CCCOC1 262713718 CENWCFRMDAZYHZ-NHYWBVRUSA-N 360.237 2.922 0 50 FFAA COc1ccc(F)c(CN2CCC(N3CCC[C@H](CO)C3)CC2)c1F 215547180 QUKQFNPAGCIXNG-AWEZNQCLSA-N 354.441 2.642 0 50 FFAA Cc1ccc([C@@H](CNC(=O)OCC(F)(F)F)N2CCOCC2)s1 175357796 BYEFFFWJOHXDCZ-LLVKDONJSA-N 352.378 2.718 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@H]1CC(=O)N(C)c3ccccc31)C2 215885741 UQHDEDFTWLYGCD-INIZCTEOSA-N 364.449 2.668 0 50 FFAA CN1C(=O)C[C@H](CNC(=O)COc2cccc(Cl)c2)c2ccccc21 221208914 QOODCFXQMQTWPG-CYBMUJFWSA-N 358.825 2.985 0 50 FFAA CCSc1nc(CC(=O)NCc2cn3nc(C)sc3n2)cs1 223336217 REIFGGHNSCWOHG-UHFFFAOYSA-N 353.498 2.527 0 50 FFAA COC(=O)c1ccc(C)c(NC(=O)N(CCO)Cc2ccccc2OC)c1 47351501 CWAXSUWXZCCIAE-UHFFFAOYSA-N 372.421 2.817 0 50 FFAA CCc1ccnc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1 180165117 SWOFMLQJLPQEOI-MRXNPFEDSA-N 352.438 2.838 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-c4cnc[nH]4)c3)C2)n[nH]1 426528131 WOJONLAAGGQWRT-CQSZACIVSA-N 351.414 2.915 0 50 FFAA CC(C)(C)n1ncc2c(NCc3cccc(CS(C)(=O)=O)c3)ncnc21 160982910 ARNKALNAHLKWGU-UHFFFAOYSA-N 373.482 2.738 0 50 FFAA O=C(Cn1ccc(-c2ccccn2)n1)Nc1ccnn1Cc1ccccc1 48175421 JSHUPBLHZLTHNM-UHFFFAOYSA-N 358.405 2.829 0 50 FFAA O=C(O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 222361342 YNTBTPABLYDVKK-CYBMUJFWSA-N 368.836 2.880 0 50 FFAA COCCN(CCOc1ccccc1F)C(=O)c1n[nH]c(C)c1Cl 426712623 KJDRUYFQPJENDL-UHFFFAOYSA-N 355.797 2.678 0 50 FFAA CCc1noc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91412541 RDKAADIQUDDRQD-LJQANCHMSA-N 357.410 2.732 0 50 FFAA CN1CCC[C@@H]1CCNC(=O)N(Cc1cccnc1)Cc1cccnc1 426494333 GYWBBGXGVORWIO-LJQANCHMSA-N 353.470 2.673 0 50 FFAA Cc1noc(CN2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)n1 91494505 HXVBKVAWUMDKMV-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA O=C(CCC1CCN(c2cnc3ccccc3n2)CC1)NC[C@H]1CCCO1 95526641 SDSGEORFPCEVIJ-QGZVFWFLSA-N 368.481 2.922 0 50 FFAA COc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)ccc1F 95365520 QURQTQSTOWWZBM-XJKSGUPXSA-N 360.429 2.697 0 50 FFAA CCOC(=O)N1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 239305969 GGAYKOPTOLHDON-YDZRNGNQSA-N 370.534 2.599 0 50 FFAA COc1cccn(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)c1=O 95526218 MBFZZXZZANUUQX-UHFFFAOYSA-N 369.446 2.639 0 50 FFAA CCc1cc(C(=O)N[C@@H](CCn2ccnc2)c2ccccc2)cc(=O)[nH]1 97334132 ZOKLJYXBEVFGOF-SFHVURJKSA-N 350.422 2.695 0 50 FFAA CC(C)n1cc(NC(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nn1 97785443 JYRFBIQOUDNWOF-UHFFFAOYSA-N 369.404 2.791 0 50 FFAA Cc1ccccc1CNC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C 95353907 CVHRSGVLOGEODI-UHFFFAOYSA-N 364.449 2.648 0 50 FFAA COCCc1nc([C@H]2Cc3ccccc3C(=O)N2)n(-c2ccc(C)cc2)n1 96132381 UHCYBBXSFASZGR-GOSISDBHSA-N 362.433 2.792 0 50 FFAA O=C(CC1Cc2ccccc2C1)NCC1(N2CCOCC2)CCCCC1 244678412 ICFDLPGCWRNVEU-UHFFFAOYSA-N 356.510 2.943 0 50 FFAA NCCOc1ccc(NC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 183288334 MKNZJQQUSGBXTN-UHFFFAOYSA-N 373.497 2.828 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N2CCC3(CC2)CN(C)C(=O)O3)c1 244626738 FRQJWDJPSYWLDI-UHFFFAOYSA-N 362.495 2.980 0 50 FFAA CC(C)c1nccn1CCC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299745678 RUJJQEJMRJNISW-INIZCTEOSA-N 356.474 2.557 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NCC[C@H]1CCCOC1 534642750 DQXSLDSSLSYZHG-MRXNPFEDSA-N 363.483 2.584 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)CCC(=O)N2CCCCCC2)CC1 299755039 BYHGOILWFGTGAR-UHFFFAOYSA-N 371.525 2.822 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)nc2c1CCC2 299792558 GFVWJMUTZHAVSI-GFCCVEGCSA-N 352.438 2.961 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1csc(-c2ncccn2)n1 670465618 DPBPWBKPUAVXJP-UHFFFAOYSA-N 356.455 2.740 0 50 FFAA CCn1cc(C(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)c(C2CC2)n1 865557564 GNIGLVOKUJCFBP-UHFFFAOYSA-N 368.437 2.934 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CCc3ccc(OC)c(F)c3)CCN2)c1 870148339 NWESJSKDXBVJKW-IBGZPJMESA-N 372.440 2.949 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@@H]2c2nn[nH]c2C(=O)O)cc1 1875292101 WMQPDCVQBHUFMV-WCQYABFASA-N 360.439 2.656 0 50 FFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1nc2c(s1)CCC2 1875265844 GOJJCVKNQPGNDI-DOMZBBRYSA-N 373.478 2.776 0 50 FFAA CCc1csc(CNS(=O)(=O)c2cccc3c2OC(C)(C)C3)n1 1875316955 KWQGESITDWNLLN-UHFFFAOYSA-N 352.481 2.898 0 50 FFAA CCN(CC(=O)N1CCC[C@@]12CCC[S@@](=O)(=NC)C2)c1ccccc1 1875395590 GFCRQVWQTRVNHD-DFBJGRDBSA-N 363.527 2.766 0 50 FFAA O=C(c1ccc(Cl)c(F)c1)N1CC2(CCN(Cc3cnsn3)C2)C1 1875309266 CMXHAIYZRIRJMI-UHFFFAOYSA-N 366.849 2.679 0 50 FFAA COc1ccc2cc3c(N)nn(C(=O)c4ccc(N(C)C)cc4)c3nc2c1 1875388269 UAFZAVRZUZPEKJ-UHFFFAOYSA-N 361.405 2.930 0 50 FFAA CNC(=O)C1(NC(=O)Nc2c(C)cccc2OCc2ccccc2)CC1 1875301870 UJWXPYUPTFAODD-UHFFFAOYSA-N 353.422 2.974 0 50 FFAA NC[C@@H]1C[C@H]2CN(CC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)C[C@@H]12 1875303501 AVUWCERGGDDSOC-CMOCDZPBSA-N 363.505 2.613 0 50 FFAA CC(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)CCC2CCCCC2)C1 952966695 FQSDECZBIBTIRL-KRWDZBQOSA-N 358.548 2.913 0 50 FFAA COC[C@@H](C)N(Cc1cccc(OC)c1)C(=O)c1ccn(C(F)F)n1 952965480 UNVGGAFVEYDUSB-GFCCVEGCSA-N 353.369 2.964 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccnc3ccncc23)C1 888103341 VYFQUKABVNESJR-DYVFJYSZSA-N 351.410 2.572 0 50 FFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CCCCS1(=O)=O 275504017 YPMYHZJZKSBIMZ-WQVCFCJDSA-N 371.886 2.596 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)c1ccc(F)cn1)CC2 275804729 UWWNVKXHELVAKV-HNNXBMFYSA-N 360.458 2.804 0 50 FFAA Cc1cc(C)c(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c(O)n1 1073274510 XNDCCUSGINELFI-CVEARBPZSA-N 354.406 2.653 0 50 FFAA Cn1nccc1[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)OCCO2 280907168 DAZKIMGNACZZII-MRXNPFEDSA-N 356.426 2.628 0 50 FFAA Cc1ccc(C(C)(C)CNC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 188507849 UQKRYJHATUAMOU-QGZVFWFLSA-N 361.530 2.759 0 50 FFAA CS(=O)(=O)Cc1ccc(NC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1F 225433902 ZLDSWYFCSFIQCH-NBLIUIFLSA-N 352.431 2.536 0 50 FFAA Cc1ccn(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)c1 194401170 VLMRPPRKFOGFNS-HNNXBMFYSA-N 351.406 2.704 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cnc(C2CC2)nc1O 1506423788 WTCFDBBIZVVHFQ-AWEZNQCLSA-N 352.438 2.658 0 50 FFAA COc1cccc2c1OCC(CN1C[C@@H](Cc3cc(C)no3)[C@@H](OC)C1)=C2 1704347951 QLLOKFBNPPRHMF-XLIONFOSSA-N 370.449 2.957 0 50 FFAA COCCN(C)C[C@H]1[C@H]2CN(c3nc4ccccc4s3)C[C@]23CC[C@H]1O3 1704313867 LUGPKJJBELSYQZ-DKYLXPRQSA-N 373.522 2.858 0 50 FFAA CO[C@H]1CN(C(=O)COc2cccc(Cl)c2)C[C@H]1Cc1cc(C)no1 1704349131 QMLOKUKLQPJKCX-DYVFJYSZSA-N 364.829 2.731 0 50 FFAA Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(C(=O)O)cc3)CC2=O)c1 5028135 SLRXALMNCVOLIJ-HNNXBMFYSA-N 352.390 2.993 0 50 FFAA COC(=O)c1cccc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)c1 12387656 USTFEVYHOWICKK-IBGZPJMESA-N 353.418 2.947 0 50 FFAA COc1cc(CN2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC 19773819 UXQMJIAWFYFVRP-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)C1(Cc2cccc(F)c2)CCC1 1857527387 AHVVUAGAJXCVSU-NEWSRXKRSA-N 371.456 2.691 0 50 FFAA CC[C@@]1(C(=O)N2CCSCC2)C[C@@H]2CC[C@H]1N2Cc1c(C)noc1C 1857713790 NXJQWJYYTLDWDL-KVSKMBFKSA-N 363.527 3.000 0 50 FFAA CCn1nc(C)c(CN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1C 1857714462 VGOXTPSCXFQWRQ-OAQYLSRUSA-N 368.481 2.769 0 50 FFAA CC1(C)CN(Cc2nc3ccc(Br)cc3o2)CCS1(=O)=O 408240807 PTOUHJITXJGMFY-UHFFFAOYSA-N 373.272 2.599 0 50 FFAA Cc1cc(N2CCC[C@@H](NC(=O)c3n[nH]c4ccc(Cl)cc34)C2)n(C)n1 328914238 QAVPIKBNQVTYML-CYBMUJFWSA-N 372.860 2.657 0 50 FFAA C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@](C)(C(=O)O)C1 237676559 VYEQTOFVQRVMEL-ZUZCIYMTSA-N 356.216 2.540 0 50 FFAA CC(=O)NC[C@@H](C)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 11786171 ZYKJPQUKJHXEFQ-GOSISDBHSA-N 367.493 2.912 0 50 FFAA O=C(NCc1ccccc1OCC(F)(F)F)N1CCN2CCC1CC2 375137029 XEYHJBFEFNGQPI-UHFFFAOYSA-N 357.376 2.617 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1 1704324461 AGYJZHHAKAUFJE-APWZRJJASA-N 366.461 2.765 0 50 FFAA C[C@H](CN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)C1CC1)C(=O)O 909457087 JCHGSXGGOFGQCM-SSDOTTSWSA-N 357.382 2.898 0 50 FFAA Cc1ccc(NC(=O)CNC(=O)c2cc(=O)c3ccccc3o2)cc1C 1857799657 RDMKHNBAZULMEN-UHFFFAOYSA-N 350.374 2.778 0 50 FFAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccncc3Nc3cccc(F)c3)CC[C@H]21 2325792234 NQMBDBVQPYXZLR-UKPHBRMFSA-N 355.369 2.757 0 50 FFAA Cc1cccc2[nH]c(=N[C@@H]3CCCN(C(=O)c4ncccc4F)C3)oc12 2325839178 LDSLLMNIOADUAL-CYBMUJFWSA-N 354.385 2.809 0 50 FFAA C[C@@H](CCNC(=O)Cc1cncc2ccccc12)NC(=O)CC1CCC1 2325867681 CEXHTEJIKNUWGG-HNNXBMFYSA-N 353.466 2.979 0 50 FFAA Cc1[nH]nc2cc(C(=O)N(C)C[C@@H]3CCCN3C(=O)C(C)(C)C)ccc12 2325880133 VZKHFGVGNBHQKY-HNNXBMFYSA-N 356.470 2.980 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 2325888713 SPWMMNVOGDWTCD-YLJYHZDGSA-N 374.456 2.522 0 50 FFAA COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)c(OC)c1 1177415 WAEPHVBMDUWROV-HNNXBMFYSA-N 364.467 2.838 0 50 FFAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCCC1 2502601 VMLLNXAXWANOTR-OAHLLOKOSA-N 368.474 2.629 0 50 FFAA COc1cc(-c2onc(N3CCC[C@H](N(C)C)C3)c2C(=O)O)ccc1F 2356141748 OBQANCZPYMICON-LBPRGKRZSA-N 363.389 2.718 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2ccncc2OC)cc1 2356143284 BKCVVDOROJEPSV-ZDUSSCGKSA-N 351.410 2.860 0 50 FFAA CSc1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1 2813108 AFJSWAFKKLBQEL-UHFFFAOYSA-N 368.455 2.952 0 50 FFAA CC1(C)C[C@H](NC(=O)C(F)(F)F)C[C@](C)(CNC(=O)C(F)(F)F)C1 4647110 YOWHANNOAAEALQ-UFBFGSQYSA-N 362.314 2.928 0 50 FFAA CCCC(=O)N1CCC(N2CCC(n3cc(CC(C)C)nn3)CC2)CC1 55310624 FHURWBGKTVZYOV-UHFFFAOYSA-N 361.534 2.905 0 50 FFAA O=C(NCCCc1ccccn1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 23429239 SFSYRLJGEPJBGG-KRWDZBQOSA-N 369.440 2.708 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 248073158 QUEZPJONFREUOD-HKUYNNGSSA-N 372.490 2.655 0 50 FFAA CC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100986442 ZLZMHNGIPXOUOI-DSIZOQBWSA-N 355.434 2.921 0 50 FFAA O=C(O)CC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 139244529 FTAHKNJFWRCLTG-HZPDHXFCSA-N 370.380 2.974 0 50 FFAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(C(C)C)[nH]n1 409414303 PABBOYZUJGTPMC-VQIMIIECSA-N 362.518 2.886 0 50 FFAA COCCN1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 67788177 NEUYZMBIAFDIHI-GOSISDBHSA-N 366.889 2.598 0 50 FFAA O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)[C@@H]1C[C@]12CCOC2 330000372 WIABVOREADRYKG-GUYCJALGSA-N 368.355 2.893 0 50 FFAA CCn1nc(C(=O)O)c2c1CCN(C(=O)CCCCc1ccccc1)C2 67818484 QQYLSLHSBWQOTQ-UHFFFAOYSA-N 355.438 2.899 0 50 FFAA COc1ccc(C(=O)c2coc3ccc(OCC(N)=O)cc23)cc1OC 170625294 RTVJFIKDHVSSMY-UHFFFAOYSA-N 355.346 2.545 0 50 FFAA CCC(=O)Nc1cccc(C(=O)N2Cc3cnnn3Cc3ccccc32)c1 252497400 QGMAYKFHLBLQRZ-UHFFFAOYSA-N 361.405 2.835 0 50 FFAA COc1cccc(CN2C[C@@H]3C[C@@H](c4ccon4)N4CCC[C@@]34C2=O)c1 11874553 UQPGFASAJGUPAG-QSFXBCCZSA-N 353.422 2.621 0 50 FFAA Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3cnn(C)c3)no2)c1 67843072 QGQKXGGTZBFDBV-UHFFFAOYSA-N 354.410 2.876 0 50 FFAA Cc1cc(C(F)(F)F)nc(CN[C@H]2CCC(=O)N(CC3CC3)CC2)n1 1506413653 KMNVXIYTUHZOBY-ZDUSSCGKSA-N 356.392 2.685 0 50 FFAA CCc1ccc(CN2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)CC2)s1 128625631 VJCXFIYNYMQNBY-UHFFFAOYSA-N 369.494 2.848 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1cc(-c2ccco2)on1 67955002 HZVOECFJVVYNHE-ZDUSSCGKSA-N 350.378 2.823 0 50 FFAA CCn1nc(C)c(CN(C)C(=O)c2nn(C)c(C)c2Br)c1C 2774852 RALIWFUIOUCTGJ-UHFFFAOYSA-N 368.279 2.596 0 50 FFAA FC(F)(F)CCc1ccnc(NC2CCN(c3cnccn3)CC2)n1 71589529 TYQWDHKXRVVKOG-UHFFFAOYSA-N 352.364 2.842 0 50 FFAA Nc1ccnc(N2CCC3(CC2)CC(=O)N(Cc2ccc(Cl)cc2)C3)n1 77486849 KAMGBOOLFBKIOU-UHFFFAOYSA-N 371.872 2.731 0 50 FFAA O=C(Nc1ccccc1N1CCCCC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 363392206 FEXMQEKHJFEEPT-WOJBJXKFSA-N 372.513 2.740 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123296067 PFVKLZYAGIXQBO-ZFWWWQNUSA-N 353.344 2.695 0 50 FFAA Cc1cccnc1NCCNc1nc(-c2ccncc2)nc2c1cnn2C 72161482 DKQXYVRSBCHDCE-UHFFFAOYSA-N 360.425 2.653 0 50 FFAA CCOc1ccc(NC(=O)c2ccc(-n3cncn3)c(C)c2)cc1CO 156927946 MZKPOZXULSDXCK-UHFFFAOYSA-N 352.394 2.719 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2 219850164 SRPGMAAUTJXFHD-MSOLQXFVSA-N 370.474 2.595 0 50 FFAA Cc1cc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)c2c(C)nn(C)c2n1 216239513 CORGLHWSPXDLOE-LBPRGKRZSA-N 356.430 2.658 0 50 FFAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 237046382 YNKHDOXMYKFXEK-GDBMZVCRSA-N 350.434 2.749 0 50 FFAA COc1ccc(N2CCN(Cc3c(C)nc4ccccn34)[C@@H](C)C2=O)cc1 72170068 DGFPOTKPHRZGNV-INIZCTEOSA-N 364.449 2.889 0 50 FFAA CCc1cnc(C)nc1N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 72154109 VCUKSLPJWBIPPV-GOSISDBHSA-N 352.486 2.880 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 237981180 FIJLHERVCKFIJH-MRXNPFEDSA-N 358.438 2.750 0 50 FFAA CC[C@H](C(=O)N1CCC2(CC1)CN(CCC(C)C)C(=O)O2)n1cccn1 77379553 SBUVDLGONTUGCK-MRXNPFEDSA-N 362.474 2.694 0 50 FFAA O=C(Cc1ccccc1)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 72144464 PBSBGFHNGPFVTH-GOSISDBHSA-N 364.511 2.631 0 50 FFAA O=C1COc2cc(N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)ccc2N1 175208978 LZUYDITXAUOCGT-OAHLLOKOSA-N 357.797 2.888 0 50 FFAA Cn1ccnc1[C@H](NC(=O)c1cc(-n2cccc2)ccn1)C1CCOCC1 288196916 RFPCZDAWEYXBRI-GOSISDBHSA-N 365.437 2.504 0 50 FFAA COc1cc(N2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)ncn1 461155481 JTGBVNJOGTWMDV-ZDUSSCGKSA-N 360.845 2.591 0 50 FFAA COC1(c2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)CCCCC1 288843608 DJMQZHBIHCSLLW-GOSISDBHSA-N 370.409 2.597 0 50 FFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)N2CCc3n[nH]c(C)c3C2)C1 426641299 AJVLFOIHTRUFOY-QGZVFWFLSA-N 367.497 2.584 0 50 FFAA CCO[C@H]1CN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)C[C@@H]1O 223422468 FJYVTHMKUFADKI-ROUUACIJSA-N 362.857 2.876 0 50 FFAA CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccc(O)n2)c1 426674051 KSVSHOSTXOWFAY-GOSISDBHSA-N 369.465 2.637 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc(Cl)cc2F)CC1)N1CCN(C)CC1 82115375 GNHQHQVCCYRXNI-CQSZACIVSA-N 367.896 2.967 0 50 FFAA Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cc3n(n2)CCCNC3)c1 82121114 YXTDGAVDOWSLQF-INIZCTEOSA-N 370.497 2.892 0 50 FFAA CN(C)c1ncc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cn1 178893866 JNAFQFUGNADSJJ-UHFFFAOYSA-N 360.849 2.550 0 50 FFAA COC1CCN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CC1 426535588 BHRKTESDSFTQFP-UHFFFAOYSA-N 363.421 2.580 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)NC[C@@H]2CCN(C)C2)cc1 426581350 WOSFZJGXGDXXRW-SFHVURJKSA-N 368.481 2.754 0 50 FFAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C2(C(N)=O)CC2)cc1 91320600 YJJCQNGYNVLJFR-INIZCTEOSA-N 366.465 2.576 0 50 FFAA Cc1cc(C(=O)N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)nc(C)n1 91586188 TVNMMRLHGIVHIS-UHFFFAOYSA-N 370.497 2.881 0 50 FFAA NS(=O)(=O)c1ccc(-c2ccc(C(=O)NC3(C4CC4)CC3)cc2)c(F)c1 426399316 AMIVUXBCUBHQQM-UHFFFAOYSA-N 374.437 2.813 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N2CCCC2)nn1 97655540 YSUONXMFIVLVBQ-UHFFFAOYSA-N 360.483 2.821 0 50 FFAA CSCc1noc(CNC(=O)COc2ccc(Cl)cc2Cl)n1 91426175 QCAYHQCDNUCMCB-UHFFFAOYSA-N 362.238 2.935 0 50 FFAA CC(C)CN1C[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426550635 OFWLASYMKUQPTI-LJQANCHMSA-N 357.498 2.757 0 50 FFAA CC(=O)c1cn([C@H](C)C(=O)NCc2noc(C3CC3)n2)c2ccccc12 426370659 UTSMOZBXNMFFON-LLVKDONJSA-N 352.394 2.982 0 50 FFAA Cc1noc([C@H]2CCCCN2C(=O)Cn2sc3ccccc3c2=O)n1 95531490 YTFWUCSSOKDIHE-CYBMUJFWSA-N 358.423 2.508 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(C)n2nc(C)cc2n1 97604158 JTWKVHUIVMTTRF-UHFFFAOYSA-N 356.430 2.590 0 50 FFAA Cc1nc(-c2ccccc2)sc1C(=O)N(CC(=O)O)C1CCOCC1 237708058 UWMUYTVOOHFBGG-UHFFFAOYSA-N 360.435 2.824 0 50 FFAA CC(C)O[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91604631 GOZBEYDCNZGKBY-KRWDZBQOSA-N 373.497 2.626 0 50 FFAA Cc1ccc(F)cc1CN1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 95363171 SDEAXKUGSPORPO-MRXNPFEDSA-N 368.460 2.887 0 50 FFAA O=C(NCCc1c[nH]c2ccccc12)c1coc(CN2CCOCC2)c1 95370729 GIBHSMFMDVDQME-UHFFFAOYSA-N 353.422 2.566 0 50 FFAA CC[C@H](C)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 92001858 INXTVOODNWKJOV-INIZCTEOSA-N 360.502 2.620 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCO[C@H](Cn2cccn2)C1 91624737 OJKAYWOQUNVRIK-INIZCTEOSA-N 357.458 2.585 0 50 FFAA COC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)CC1 95362455 RJWXOIQYCWAJHO-QGZVFWFLSA-N 373.497 2.544 0 50 FFAA CCOc1cccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC)c1 95515255 GHFGJCVJFKDIRT-UHFFFAOYSA-N 368.481 2.818 0 50 FFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(C[C@H]2CCCO2)CC1 95371125 PRWKGFYKNVMTRC-OAQYLSRUSA-N 371.525 2.609 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)c3cc4c(Cl)cccc4n3C)C2)C1=O 92028430 PNQABVIIJOICLL-LJQANCHMSA-N 359.857 2.916 0 50 FFAA CCOc1cc(CN2CCN3CCN(C)C[C@H]3C2)cc(Cl)c1OCC 248103637 FLZLHVIAABBGBF-INIZCTEOSA-N 367.921 2.569 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)no1 244852822 UZQOSQGXFLGZRJ-VBQJREDUSA-N 372.473 2.809 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CCCCN1C(=O)c1cccs1 182709382 SRRIRBXHJWARIG-HZPDHXFCSA-N 358.463 2.593 0 50 FFAA c1coc(-c2nc(CN3CCC(c4nnc5ccccn45)CC3)no2)c1 252486635 HNFPXBCGYKWDFK-UHFFFAOYSA-N 350.382 2.752 0 50 FFAA O=C(NCCc1cccs1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263617525 OFOFVCMFYZBIRX-MRXNPFEDSA-N 372.425 2.723 0 50 FFAA C[C@@H](NC(=O)Nc1cc(C2CC2)nn1C)c1nc(-c2ccncc2)no1 299756394 DKMGYRKROPTTAM-SNVBAGLBSA-N 353.386 2.625 0 50 FFAA Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H](c1ncccc1C)C1CC1 299762707 WYFYFZIYRUNVQC-GOSISDBHSA-N 363.425 2.947 0 50 FFAA CC(C)Cc1noc(CN(C)C(=O)NCc2snnc2C(C)C)n1 584886564 WYDDTFVDPINRQI-UHFFFAOYSA-N 352.464 2.585 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1C 827971562 XVYZZBSUKBTMPN-UHFFFAOYSA-N 350.422 2.769 0 50 FFAA COCCc1nc(C2CCCC2)n(-c2cc(=O)n(C)c3ccccc23)n1 670461589 WMTFFPAPNIZYMY-UHFFFAOYSA-N 352.438 2.966 0 50 FFAA CCOc1cc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)ccc1OC 1875314837 VMCKEZPYZPKUKE-OLZOCXBDSA-N 373.453 2.780 0 50 FFAA CN(c1ccccc1)c1ccc(C(=O)O[C@H]2CNC(=O)C(C)(C)C2)cn1 1875344911 QGAFZUOQKTWSEL-MRXNPFEDSA-N 353.422 2.921 0 50 FFAA CC1(C)C[C@H](N=c2[nH]ccnc2F)CN(C(=O)[C@H]2CCC[C@H](F)C2)C1 1875405100 QQBMQMXZIDSXOZ-IHRRRGAJSA-N 352.429 2.605 0 50 FFAA C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2ccoc2)C(C)(C)C1 1875407406 ZHJKVRGZMBYJRX-XNJHUCFUSA-N 358.482 2.858 0 50 FFAA CC1(C)C[C@H](N=c2[nH]ccnc2F)CN(C(=O)[C@H]2CCC[C@@H](F)C2)C1 1875405102 QQBMQMXZIDSXOZ-MJBXVCDLSA-N 352.429 2.605 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H](c2cccc(F)c2)N(C)C)cc1 952965342 DTXPBAMLYRKXSQ-LJQANCHMSA-N 372.444 2.567 0 50 FFAA O=C(c1ccco1)N1CCC[C@@H](NCc2cc3ccccc3nc2O)C1 952964104 NBZGWYIVEOZWLI-MRXNPFEDSA-N 351.406 2.928 0 50 FFAA CC(=O)N1C[C@H](Nc2cc(NCC3CC3)ncn2)CC[C@@H]1C(F)(F)F 886027803 XAXZZMHKGVZPCQ-CHWSQXEVSA-N 357.380 2.652 0 50 FFAA CN(Cc1sc2ccccc2c1Cl)C(=O)CCCS(N)(=O)=O 1144588751 CBIGCPWXPBBMNT-UHFFFAOYSA-N 360.888 2.582 0 50 FFAA OC[C@H]1C[C@@H](CN2CCOCC2)CN(Cc2cccc(Cl)c2Cl)C1 1565515914 IHBOOXOBJHOSAL-GJZGRUSLSA-N 373.324 2.756 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cccc(-n3ccnc3)c2)cnn1C 275305050 BFJMCOBORPHIDH-WMZOPIPTSA-N 351.410 2.631 0 50 FFAA COc1ncccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 276244322 CONHYPKDWHBXKW-BFUOFWGJSA-N 356.426 2.791 0 50 FFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 170640423 JVHRBPARPKDHIS-GXFFZTMASA-N 372.494 2.831 0 50 FFAA CCCN(CC(=O)Nc1ccccc1OC)c1ncnc2onc(C)c12 192500266 LTPMZNHMXRBKOO-UHFFFAOYSA-N 355.398 2.790 0 50 FFAA O=C(NC1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1)C1CC1 192698642 JZDZCDCKKMDVOL-UHFFFAOYSA-N 356.344 2.716 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 194424654 OQSDFVQSQLOONP-MSOLQXFVSA-N 353.422 2.605 0 50 FFAA Cc1ccc(C)c([C@H](NC(=O)/C=C/c2cnc(N)nc2)c2cccnc2)c1 1506421117 FTPQWRKIAMUDTG-AQKVLALTSA-N 359.433 2.990 0 50 FFAA O=C([C@H]1Cc2ccccc2CN1)N1CCCN(Cc2cccc(F)c2)CC1 1506418611 TYCQOXVEBMAJHA-OAQYLSRUSA-N 367.468 2.575 0 50 FFAA Cc1ncc(CN(CCN(C)C)Cc2cccc(Cn3cccn3)c2)[nH]1 1704324917 FGMNIUANCZTNIJ-UHFFFAOYSA-N 352.486 2.527 0 50 FFAA CC1=C(CCN2CC[C@H](N3CCC(O)CC3)[C@@H](O)C2)C(C)(C)CCC1 1614374642 NRYDUQOCLLSVKU-PMACEKPBSA-N 350.547 2.795 0 50 FFAA Cc1ccc(-c2nc(CN3C[C@@H](O)[C@H](Cc4cnccn4)C3)c(C)o2)cc1 1704359602 VCBYIKBSZSJVSH-YLJYHZDGSA-N 364.449 2.784 0 50 FFAA Cc1cc(N[C@@H](Cc2ccc(O)cc2)C(=O)O)nc(N2CCCCC2)n1 1704316401 OINXYPSBVGFJOJ-INIZCTEOSA-N 356.426 2.589 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1615740125 SHYPCDBHZVNFQF-KXBFYZLASA-N 365.433 2.769 0 50 FFAA CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NC1CCCC1)C2 14751816 VJCZTMVGDWHSCV-KRWDZBQOSA-N 367.497 2.618 0 50 FFAA CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)C2CCCC2)C1 15076531 IUSOGZXNLLLYLO-INIZCTEOSA-N 358.486 2.633 0 50 FFAA Cc1cccc(-c2nc(CN3C[C@@H]4CCOC[C@]4(C(=O)O)C3)c(C)o2)c1 1857669475 PAMLQBXQLXXHPM-OXJNMPFZSA-N 356.422 2.882 0 50 FFAA Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)s1 1857717637 QTNBBSQSTNROQM-IXDOHACOSA-N 357.479 2.704 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2ccccc2OC(F)(F)F)CC[C@H]1O 1857734434 SCTYLIGQHNGWHG-ZBFHGGJFSA-N 361.360 2.571 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857735453 OHZBMZCFJZMVJV-QRWLVFNGSA-N 372.428 2.787 0 50 FFAA CC(C)CNc1ccccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857736108 KZRXCTQBKXCJPD-FUHIMQAGSA-N 359.514 2.982 0 50 FFAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C[C@H]1CCCCO1 328623468 JFBADNAHNFQNBB-CHWSQXEVSA-N 359.392 2.882 0 50 FFAA CNc1cc(N2CCC[C@H]2CNc2cccc(Br)n2)ncn1 809352955 KGYNTBBVTOAKSZ-NSHDSACASA-N 363.263 2.757 0 50 FFAA CC(C)(C)OC(=O)CC[C@@H](CC(=O)O)NC(=O)OCc1ccccc1 396687336 WLEKMWHPQDAGJJ-AWEZNQCLSA-N 351.399 2.878 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)CSc2nncc3ccccc23)cc1 4751793 MZEXTAJAZWGEBU-UHFFFAOYSA-N 366.446 2.997 0 50 FFAA O=C(N[C@H]1C[C@@]2(C(=O)O)C[C@@H]12)N1CCC(c2noc3cc(F)ccc23)CC1 2325784126 ARZCLBFCNODVLT-NJSLBKSFSA-N 373.384 2.719 0 50 FFAA C[C@@H]1c2ccc(Cl)n2CCN1C(=O)[C@]1(c2ccccc2)CNC(=O)C1 854482838 PBRBROVPXUOGIH-YJYMSZOUSA-N 357.841 2.503 0 50 FFAA O=C(N[C@H]1C=CCNC1)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1 2325859240 SARYHXUBRJXLND-KRWDZBQOSA-N 373.460 2.615 0 50 FFAA O[C@@H](CNC[C@H](O)c1ccccn1)Cn1c2ccccc2c2ccccc21 2325861679 XOLSQUGGWDVUTE-AOMKIAJQSA-N 361.445 2.874 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CCCC3CC3)C2(C)C)C1 2325863140 XKOXPEYNHBHGAT-GVDBMIGSSA-N 350.503 2.878 0 50 FFAA COc1cc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)ccc1OC(C)=O 802349 QMABFKFEIJZROX-UHFFFAOYSA-N 369.329 2.714 0 50 FFAA CN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccccc2)n1 804844 AZUYKFQXIIYHTE-UHFFFAOYSA-N 360.487 2.879 0 50 FFAA NC1=NC(=O)C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 912797 JOAVDLMGXRZXKN-MRVPVSSYSA-N 351.737 2.644 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 948403 LCUCTWQTQZMQML-UHFFFAOYSA-N 371.462 2.902 0 50 FFAA CCOC(=O)N1CC[C@@H](N2CCC3(CC2)OCCc2cccc(OC)c23)C1 2356141548 GZTDKHFYWSMFRN-QGZVFWFLSA-N 374.481 2.790 0 50 FFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CC(=O)N1CCCCC[C@@H]1c1ccco1 247198616 UKPRILJXKZNYKU-BZUAXINKSA-N 358.438 2.899 0 50 FFAA CCc1csc([C@@H]2CCCN(C(=O)NCc3nnc4n3CCCC4)C2)n1 113597338 GCULQKLYHIMCBF-CYBMUJFWSA-N 374.514 2.723 0 50 FFAA COc1cccc(NC(=O)c2cccc(NC(=O)Cn3ccnc3)c2)c1 55309140 AVCQJYQOLJTREJ-UHFFFAOYSA-N 350.378 2.783 0 50 FFAA CSc1ccc2c(C)cc(N3CCN(c4cn[nH]c(=O)c4)CC3)nc2c1 55309720 IVACIDAJXYWSTR-UHFFFAOYSA-N 367.478 2.675 0 50 FFAA O=C(CCN1CCC(Cc2noc(C3CC3)n2)CC1)Nc1nccs1 65407924 JNIDJEMPRJBINU-UHFFFAOYSA-N 361.471 2.687 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)n1 64800037 XRFRJVGIAQJFFX-UHFFFAOYSA-N 354.458 2.879 0 50 FFAA Cc1ccccc1-n1cc(-c2ccnc(NCCN3CCOC3=O)n2)cn1 20862537 SAYMOKDHQIKQDP-UHFFFAOYSA-N 364.409 2.502 0 50 FFAA Cc1ccc2[nH]c(C)c(CC(=O)O[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 229726678 CAIQDDCMNQCDGZ-OFQRWUPVSA-N 372.465 2.895 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCCC[C@H]2CCn2cccn2)c1C 65396263 DKEZEZABYDUBDZ-KRWDZBQOSA-N 358.490 2.600 0 50 FFAA CCOC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1cnc(COC)nc1 65403808 JNJJNMUZRNISPK-AWEZNQCLSA-N 356.382 2.666 0 50 FFAA COc1cc(CN[C@@H]2CCO[C@H](c3cncn3C)C2)c2c(c1)C[C@@H](C)O2 328641656 QRLSNVOGNPRCMA-NRXGSXMXSA-N 357.454 2.762 0 50 FFAA COc1ccc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cn1 328626234 DXGKFZBLKAJZML-GJZGRUSLSA-N 350.463 2.591 0 50 FFAA Cc1nc(C)c(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)o1 174596499 CMNLAKVECHYZBC-UHFFFAOYSA-N 355.438 2.503 0 50 FFAA COC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 67649668 DMYZYOFNBCCMIH-UHFFFAOYSA-N 372.425 2.694 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 1469235 JQBIIYXKEFVGST-DCQHUWKXSA-N 356.466 2.735 0 50 FFAA COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C[C@H](C)CO 77538479 ACVQKMRZXGHMGO-QSFXBCCZSA-N 366.461 2.780 0 50 FFAA Cn1cnc2cc(C(=O)NCc3csc4c3CCCC4)ccc2c1=O 215047793 LWNSIZCFEKWGLS-UHFFFAOYSA-N 353.447 2.804 0 50 FFAA CSCC[C@H](NC(C)=O)C(=O)N1CCC(Oc2ccccc2C)CC1 77337339 UTLNGUHGZTUYRL-KRWDZBQOSA-N 364.511 2.623 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](N2CCC(CO)CC2)C1 72147891 YSINPPCRPLXCAC-GOSISDBHSA-N 369.465 2.651 0 50 FFAA CN1CCC[C@]2(CCN(c3cc(-c4ccccc4)nc4ccnn34)C2)C1=O 72412131 ASEQPUZXMAWFHI-OAQYLSRUSA-N 361.449 2.845 0 50 FFAA COc1cccc(C[C@H]2CN(Cc3noc(-c4ccco4)n3)CCO2)c1 71736412 CVLPOTNWMJUTOA-INIZCTEOSA-N 355.394 2.782 0 50 FFAA Cc1ccc2cc(CN3CCO[C@@H](C(N)=O)C3)c(-c3cccs3)nc2c1 72433805 AKDOQHDURVIFGZ-QGZVFWFLSA-N 367.474 2.958 0 50 FFAA Cn1c(CN2CCC(C(=O)O)(n3ccnc3)CC2)cc2cc(F)ccc21 72422170 QLDJPXZMDFCZND-UHFFFAOYSA-N 356.401 2.590 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)cc1O 77375435 XZCJFZJTJJFMDG-GFCCVEGCSA-N 374.824 2.932 0 50 FFAA Cc1nc([C@@H](C)N(C)S(=O)(=O)c2c(C)nn(C)c2Cl)c(C)s1 77388551 SVRJNTNASZWUTD-MRVPVSSYSA-N 362.908 2.837 0 50 FFAA O=C1CC[C@@H](NC(=O)N2CCCc3occc3C2)[C@H](c2ccccc2)N1 334021272 DDGUFQFQIRSMET-APWZRJJASA-N 353.422 2.757 0 50 FFAA Cc1ccccc1SCC(=O)NC1CCN(C(=O)N2CCCC2)CC1 219721069 BFRGDXVKVCWCAU-UHFFFAOYSA-N 361.511 2.884 0 50 FFAA O=C1CCCN1CCC(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 15062561 LIGMBPRUOMWUCJ-LJQANCHMSA-N 366.461 2.622 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 71315018 FZXMNXAQFUMLOZ-MRXNPFEDSA-N 361.449 2.878 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72481640 FBOMEKWXSKUILJ-NRFANRHFSA-N 366.465 2.763 0 50 FFAA C[C@H]1C[C@@H](NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCN1 262892253 ORCYHYMVQADGAT-YJBOKZPZSA-N 372.490 2.531 0 50 FFAA Cc1nnc(-c2cccc(NC(=O)Cc3ccc4c(c3)OCO4)c2)n1C 378219330 UBRXXEHEEGTIBR-UHFFFAOYSA-N 350.378 2.700 0 50 FFAA COCCC[C@H]1CCCCN1C(=O)c1ccc(N2CCN(C)CC2)cc1 77456245 OHBXBHGWUAEWQG-HXUWFJFHSA-N 359.514 2.860 0 50 FFAA O=C(c1ccnc(-n2cccn2)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 286327411 BEOAELBTIDULLB-VAMGGRTRSA-N 374.444 2.912 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCN(Cc2ccc(Cl)cc2)CC1 72157205 XRCNHWMLMBNHPM-UHFFFAOYSA-N 365.949 2.816 0 50 FFAA CC(C)Cn1cncc1CN1CCN(Cc2ccsc2)[C@H](CCO)C1 72421458 RFVOLTQYXADRFR-GOSISDBHSA-N 362.543 2.669 0 50 FFAA O=C(c1c[nH]c(=O)cc1O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71662827 WPHAIGUXIVDENY-CYBMUJFWSA-N 362.376 2.844 0 50 FFAA COc1ccc(Cc2nn3c(=O)c4ccccc4nc3s2)cc1OC 17073177 HZZGIMYNQZNWBR-UHFFFAOYSA-N 353.403 2.912 0 50 FFAA CC(C)CN1CCCn2nc(CNC(=O)COc3cccc(F)c3)cc2C1 82161799 AOKLPWQJIRMFLM-UHFFFAOYSA-N 374.460 2.579 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N[C@H]2CCNC2)cc1 426535875 MOZFBYMLBFKVDA-LBPRGKRZSA-N 353.348 2.589 0 50 FFAA CCn1cc(CNC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)cn1 426379629 FXSXQEFDRCDGKE-HXUWFJFHSA-N 370.497 2.818 0 50 FFAA COCC(=O)N1CC(=O)N(c2cccc(Cl)c2)C[C@H]1Cc1ccccc1 82133702 OISAITMSTBIFLN-GOSISDBHSA-N 372.852 2.773 0 50 FFAA CCN(CC)C(=S)SCC(=O)N[C@H]1COc2ccc(OC)cc21 45068302 KIPBHTVIUNYKTL-ZDUSSCGKSA-N 354.497 2.605 0 50 FFAA O=C(NC[C@H]1CCCN(CCc2ccccc2)C1)NC1(CO)CCCC1 426705613 GDFWLGVMBCUUBJ-LJQANCHMSA-N 359.514 2.545 0 50 FFAA CCN1C[C@H](C(=O)N(Cc2ccccc2)Cc2ncccc2C)CC1=O 91830982 UBUQDDLWKFOYOV-GOSISDBHSA-N 351.450 2.787 0 50 FFAA O=C(O)Cn1nccc1[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 426535918 QXZAAUXHJXSBOQ-QGZVFWFLSA-N 365.437 2.533 0 50 FFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)C1CCN(C2CCOCC2)CC1 97347073 UVCTUBLETUSEAI-INIZCTEOSA-N 371.403 2.692 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)[C@H](c1cccnc1)N1CCCC1 95391693 VXHPTDUBSVJVCG-SFHVURJKSA-N 356.495 2.523 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)NCCc2nc(C(=O)O)cs2)c1 426535617 DYNZUHFGWZDSBA-AWEZNQCLSA-N 361.423 2.549 0 50 FFAA Cn1c(=O)c(C(=O)NC2(c3cc(F)ccc3F)CC2)nc2ccccc21 97572116 DCLPHBMLBXVELF-UHFFFAOYSA-N 355.344 2.631 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1CC[C@](C)(O)[C@@H](O)C1 96140829 JPNGTDJIQMTIFN-SFTDATJTSA-N 357.450 2.592 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(C)nc3c1)C2 91475314 RRPVCCAXIHGXMU-DLBZAZTESA-N 366.465 2.901 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H](O)C2CCCCC2)C3)c1 96151080 JHLXEZPEJBBDAR-LJQANCHMSA-N 369.465 2.911 0 50 FFAA CCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)ccc1O)CC2 95510552 QDZVYWKLNQZZRU-UHFFFAOYSA-N 368.481 2.823 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N[C@H](C)Cc1cc(C)n[nH]1 97619711 QKUORUNUBGFJPQ-GFCCVEGCSA-N 353.430 2.614 0 50 FFAA CCC[C@]1(CO)CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)C1 91327010 VMPITKZSFWXUAL-IBGZPJMESA-N 360.458 2.608 0 50 FFAA O=C(NCC1(COc2ccccc2)CC1)[C@@H]1CC(=O)N(C2CCCC2)C1 91635989 LGYQKJVJDLCYCO-MRXNPFEDSA-N 356.466 2.753 0 50 FFAA COc1cccc(-c2cc(C(=O)N[C@H](c3nccn3C)C3CC3)[nH]n2)c1 91364612 VRGLSBJMEWIRIX-KRWDZBQOSA-N 351.410 2.700 0 50 FFAA CCc1ocnc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 95526468 WUNFLCWTUOWUGD-UHFFFAOYSA-N 371.466 2.958 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Oc1ccc2ccccc2c1 247750871 VSMCAPIFBFQRAZ-JPRZGNOKSA-N 373.408 2.798 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cccc2c1OCCO2 244795636 RKLWFWXYFYRCFA-JFIYKMOQSA-N 353.418 2.570 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1 299746473 XPVIPDGFDPGVPT-KBAYOESNSA-N 369.421 2.566 0 50 FFAA CN(C(=O)NCCCc1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 269487615 RSATUIDCMKFHRN-FQEVSTJZSA-N 352.482 2.930 0 50 FFAA CCc1nc(C)sc1CNC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1 534632445 WKDYYSNLZAQDFE-UHFFFAOYSA-N 368.462 2.705 0 50 FFAA O=C(NC1CCN(Cc2cccc(O)c2)CC1)N1CCOC2(CCCC2)C1 534642979 PXCFUAQXHXAFNA-UHFFFAOYSA-N 373.497 2.711 0 50 FFAA CCN(Cc1ccncc1)C(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1 299758317 QYWIKJOLQPLXRG-UHFFFAOYSA-N 364.453 2.605 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c(OC)n1 824845857 WOLQPPJMTHEQGB-CYBMUJFWSA-N 361.467 2.555 0 50 FFAA Cc1ccc(-n2cnnn2)cc1NC(=O)c1c(C(F)F)nc2n1CCCC2 875170735 BJPGNMUFWXRCDU-UHFFFAOYSA-N 373.367 2.693 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 876298722 ADGJRVMJMGNUPL-CYBMUJFWSA-N 373.453 2.796 0 50 FFAA Cc1nc(Cc2ccccn2)sc1C(=O)N[C@H]1CCc2c(n[nH]c2C)C1 1875313183 XVBBRWMBIKWSBL-AWEZNQCLSA-N 367.478 2.756 0 50 FFAA Cc1c(C(=O)N[C@@H](CC(C)C)CS(C)(=O)=O)cc(Cl)nc1Cl 1875370790 DKOAEPNXXIIOML-JTQLQIEISA-N 367.298 2.886 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2ccn(C)n2)C3)c(C)c1 1875362296 ZEJRHYRQRDANAI-UHFFFAOYSA-N 352.482 2.775 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 952974095 PWYNEMSASVPDIJ-INIZCTEOSA-N 363.417 2.746 0 50 FFAA Cc1ccsc1[C@H](CNC(=O)CCN1CCCCCC1=O)N(C)C 952963092 HPTWBWOAOJCDDM-HNNXBMFYSA-N 351.516 2.568 0 50 FFAA c1ccc(-c2nc(CNC[C@@H](c3ccccn3)N3CCOCC3)co2)cc1 952974951 XJZLDWVMIWSGKY-FQEVSTJZSA-N 364.449 2.900 0 50 FFAA Cc1ccn2c(CN3CC[C@@H](Oc4ccnc(CN(C)C)c4)C3)cnc2c1 886047309 MEWNRYJRQJCEQF-HXUWFJFHSA-N 365.481 2.753 0 50 FFAA O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5CCC[C@]6(C=Cc7ccccc7O6)C5)[C@H]1[C@@H]3[C@@H]42 887790956 XWLPFMGQXOYUEA-VLDUGTLOSA-N 373.452 2.780 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1ccnc2ccccc12 1565514175 FNTCGNJLOMQSNC-ROUUACIJSA-N 369.446 2.795 0 50 FFAA C[C@H](CC(=O)N1CCc2n[nH]c(=O)cc2C1)c1cccc(C(F)(F)F)c1 274836940 DNOTXJCFAPVMSL-LLVKDONJSA-N 365.355 2.867 0 50 FFAA Cc1cc(S(=O)(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)sc1C 275329055 QDHFIHSZIPHLSM-GFCCVEGCSA-N 371.484 2.634 0 50 FFAA CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(Cc2ccn(C(C)C)n2)n1 172164134 ZQACSRBSRNOKMW-KRWDZBQOSA-N 367.457 2.626 0 50 FFAA Cc1cc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)no1 225406493 CUTFDQPXCLWISW-IUODEOHRSA-N 354.328 2.879 0 50 FFAA COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 225703579 JCBZSYFYRPNXTH-CYBMUJFWSA-N 368.758 2.893 0 50 FFAA C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1nnnn1C 189790993 GJVOEDNNGGENBR-LBPRGKRZSA-N 369.391 2.628 0 50 FFAA O[C@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1Cc1cnccn1 1615738885 AHHGRPUHYYBMBW-LIRRHRJNSA-N 353.397 2.911 0 50 FFAA O=C1CCCCN1Cc1nc(-c2c[nH]c3ccccc23)nn1[C@H]1CCOC1 1772818490 GPWFGYAWORBCEP-AWEZNQCLSA-N 365.437 2.900 0 50 FFAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CCSCC2)C1 11816365 QUXSYXBBCWDOJJ-QGZVFWFLSA-N 368.568 2.714 0 50 FFAA Cc1cc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)nc(N)n1 12297935 JYHYUFOIMJLMFQ-GOSISDBHSA-N 367.497 2.536 0 50 FFAA CC(C)(O)C(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 12577263 GSLWQLAOTMGURA-HXUWFJFHSA-N 350.503 2.569 0 50 FFAA O=C(CCc1nc(O)c2ccccc2n1)N1CC(COc2ccccc2)C1 1857527399 BRGJLWNZLDASGB-UHFFFAOYSA-N 363.417 2.805 0 50 FFAA CN(CCO)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857701546 NMVOAFDCIWCLLP-LBPRGKRZSA-N 351.834 2.538 0 50 FFAA O=C(NCC1(c2cccc(Cl)c2)CCCCC1)N1CCO[C@H](CO)C1 459093043 YZCKYBAMERRSBQ-KRWDZBQOSA-N 366.889 2.945 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)c2ccc(CO)o2)cc1 247915368 WAWMDMHENMSELW-SJORKVTESA-N 370.449 2.517 0 50 FFAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 156409031 TYYAQXAKTNZVLD-WDEREUQCSA-N 359.239 2.553 0 50 FFAA COc1ncccc1COC(=O)c1nn(-c2cccc(Cl)c2)cc1O 801363445 ZZRFERMQZQJKBU-UHFFFAOYSA-N 359.769 2.992 0 50 FFAA Cc1cc(Cn2c(=O)c(C(F)(F)F)cn(C3CCCC3)c2=O)nc(C)n1 902917989 FEMYZXNFYWAZJD-UHFFFAOYSA-N 368.359 2.599 0 50 FFAA CCOC(=O)c1c(CN(C)C)n(C)c2cc(Br)c(O)cc12 755533 RAAWEGPXSWOQOA-UHFFFAOYSA-N 355.232 2.885 0 50 FFAA O=C(CCC(=O)c1ccc(Cl)s1)NC[C@@H]1CC2(CCNCC2)CO1 2325760864 PMQUFMFGCKQUHX-LBPRGKRZSA-N 370.902 2.639 0 50 FFAA CC(C)n1cc(CNC[C@@H](O)c2ccc(Cl)cc2Cl)c(O)nc1=O 2325771089 MEHNAALVHGVYAM-CQSZACIVSA-N 372.252 2.660 0 50 FFAA COCCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 2325794917 WUIOZNZABVNHCT-NXHRZFHOSA-N 364.530 2.935 0 50 FFAA O=C(Cc1cnc2ccccc2c1)N1CCC(N2CCCCC2=O)CC1 132345367 YWLVCTHOCCWVOM-UHFFFAOYSA-N 351.450 2.781 0 50 FFAA CC(C)(C)c1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 818887 ATOWUYYBJVGZJH-UHFFFAOYSA-N 357.439 2.574 0 50 FFAA CS(=O)(=O)N1N=C(c2ccc3nccnc3c2)C[C@@H]1c1ccccc1 1077292 AXTNHNGAQXHFER-GOSISDBHSA-N 352.419 2.741 0 50 FFAA COc1c(F)ccc(C(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)c1F 2356158849 BTSOHOONQCMNRS-LJQANCHMSA-N 366.408 2.979 0 50 FFAA COc1cc(CN2CC[C@H](O)[C@](CCC(C)C)(C(=O)O)C2)ccc1F 2356159826 RNOYHZLPHWPCAW-PKOBYXMFSA-N 353.434 2.908 0 50 FFAA Cc1ccc(SCCNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 4742472 PIRNOQGRIFZPRV-UHFFFAOYSA-N 364.492 2.889 0 50 FFAA COc1cc([C@@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)ccc1O 4911617 GTCKSSPIQTZTBG-NSHDSACASA-N 359.378 2.901 0 50 FFAA Cn1cc([C@@H]2CCN(Cc3cccc(C(=O)NCc4ccco4)c3)C2)cn1 116322423 MLNAQZJYAGAEHL-GOSISDBHSA-N 364.449 2.933 0 50 FFAA CC[C@H](C(=O)NCc1nc(C)cc(=O)[nH]1)n1cc(C(C)=O)c2ccccc21 55091019 NWKIRAFJAZJKMQ-MRXNPFEDSA-N 366.421 2.503 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CCCN1C(N)=O 67714592 GDJKDHWAWJHETK-MRXNPFEDSA-N 368.437 2.650 0 50 FFAA C[C@@H](c1nnnn1C)N1CCC(c2ccccc2Br)CC1 470006062 LVBGJUQVKLTLBW-NSHDSACASA-N 350.264 2.913 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1CCO[C@@H](Cc2ccccc2)C1 20542678 SPNPLUNMXCCMJC-KRWDZBQOSA-N 361.463 2.636 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2CCCCn2ccnc2C)n1C 328642982 RGEMSZDGSIUJMM-SFHVURJKSA-N 357.502 2.897 0 50 FFAA COc1ncc(CN2C(=O)[C@@]3(CCCCc4ccccc43)N=C2O)c(C)n1 328832906 RQMDTPLJOSIAAE-FQEVSTJZSA-N 366.421 2.672 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)c1coc(COc2ccccc2F)n1 12459650 NFDQMWOOQUQWFV-UHFFFAOYSA-N 358.373 2.789 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2C[C@@H]2CCC3(CCCCC3)O2)n1 329837593 MYMKEUSHPPVESF-JKSUJKDBSA-N 374.485 2.981 0 50 FFAA COc1cccc(-c2cc(C(=O)N3N=C(C)C[C@]3(O)C(F)(F)F)n[nH]2)c1 6395097 UETCQSIKVZFGKI-HNNXBMFYSA-N 368.315 2.558 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71750351 PJEMVQPECHCVGI-MRXNPFEDSA-N 369.812 2.734 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@H]3CSC(C)(C)C(=O)N3)cc(C)cc2c1C 71749365 DMWGTRSJHOGUPF-MRXNPFEDSA-N 373.522 2.974 0 50 FFAA Cc1ccc2nc(COc3ccc(C(=O)NC[C@@H](N)C4CC4)cc3)cn2c1 237827444 TYZQPVAEQRIUES-LJQANCHMSA-N 364.449 2.689 0 50 FFAA CN(C)C(=O)N1CCC(C(=O)N2CCO[C@H](CC3CCCCC3)C2)CC1 14975188 IRIAHSCTFFFEEP-GOSISDBHSA-N 365.518 2.578 0 50 FFAA CCc1ncnc(NC[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)c1F 285008644 UIMGDRZHFLAYPN-SCLBCKFNSA-N 358.465 2.939 0 50 FFAA CCC[C@@H](CC)NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 186791087 HVYJCUSPOQCVQF-SNVBAGLBSA-N 365.425 2.967 0 50 FFAA C[C@@H](c1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1)N1CCCC1 216470514 AIDSHVXCJYFIHV-INIZCTEOSA-N 366.513 2.634 0 50 FFAA COc1cccc(OCC(=O)NCC2(c3ccccc3)CCN(C)CC2)c1 220244239 SMVHRMHORWFOES-UHFFFAOYSA-N 368.477 2.854 0 50 FFAA COC(=O)c1ccc(NC(=O)c2csc(NC[C@@H]3CCCO3)n2)cc1 44902685 ZJNBYCPZYPQBCR-ZDUSSCGKSA-N 361.423 2.773 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cccc3cnccc13)C2 221427106 PKGJCGGIXHMTEX-IBGZPJMESA-N 350.422 2.921 0 50 FFAA Cn1cnnc1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 426372383 VHKJSQSDFUDLBB-ZDUSSCGKSA-N 355.467 2.764 0 50 FFAA CC[C@@H](C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1)n1cccn1 91725916 PYNHCFVSHBQOIB-SFHVURJKSA-N 362.424 2.893 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91574275 MOAKKPWFWNZNMY-NRFANRHFSA-N 370.497 2.686 0 50 FFAA CN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc[nH]c3=O)CC2)C1 91505844 QBNMQGDKDVXODG-SFHVURJKSA-N 365.477 2.717 0 50 FFAA O=C1NCCN(C(=O)c2ccccc2-c2ncc[nH]2)[C@H]1c1cccc(F)c1 97546530 DVEWTFYJQBQZFT-KRWDZBQOSA-N 364.380 2.529 0 50 FFAA O=C(NC1CCCC1)c1ccc(OC2CCN(CCO)CC2)c(Cl)c1 95509202 FWDKWIYOQMYLFS-UHFFFAOYSA-N 366.889 2.848 0 50 FFAA CCOc1cccc([C@@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c1 95368115 IDLAQFJHNXWVMN-FQEVSTJZSA-N 369.465 2.814 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cccc([C@H]3CCCNC3)c2)c1C 95385143 XWTMWBVFGZTQOA-IBGZPJMESA-N 354.498 2.959 0 50 FFAA Cc1cc2nc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)cc(C)n2n1 97301263 AFEBUEKEYDACIH-GOSISDBHSA-N 363.465 2.565 0 50 FFAA O=C1C[C@H](C(=O)N2CC(OCc3ccc(F)cc3)C2)c2cc(F)ccc2N1 91943916 SOHVTIPBINOTQG-KRWDZBQOSA-N 372.371 2.818 0 50 FFAA Cc1[nH]nc(CCC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1C 96180317 GNHUHFDXEATAKR-UHFFFAOYSA-N 369.469 2.772 0 50 FFAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCC(Nc2ccccn2)CC1 91997526 MXWNXRXXZPRYEP-MRXNPFEDSA-N 370.497 2.666 0 50 FFAA Cc1cc(Cl)cc(C)c1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 96141255 YVNQJIQXFLWKNP-CQSZACIVSA-N 366.893 2.666 0 50 FFAA CC(=O)c1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)cs1 92098603 XTZDHAQEELGDJR-UHFFFAOYSA-N 369.446 2.990 0 50 FFAA CC(C)n1c(CNC(=O)c2cnc3ccccn3c2=O)nc2ccccc21 522916448 ZODIVIXOYZKDFT-UHFFFAOYSA-N 361.405 2.555 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CCO1 299753325 XVEZOBFPJUVZST-KGYLQXTDSA-N 357.328 2.511 0 50 FFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 269247826 MZIWHGWGQDFPKX-OPYAIIAOSA-N 355.526 2.814 0 50 FFAA C[C@@H]1Cc2cc(NC(=O)NC3CCN(c4cnccn4)CC3)ccc2O1 299767160 GKWXQUXFZXEMBI-CYBMUJFWSA-N 353.426 2.591 0 50 FFAA COc1ccc(-c2ccc(NC(=O)NC[C@@]3(O)CCCNC3)cc2)cc1 299761102 RGILIRXIXICFRW-HXUWFJFHSA-N 355.438 2.598 0 50 FFAA CN(C[C@@H]1CCCNC1)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1875277749 CGINFUXFENSFMQ-OAHLLOKOSA-N 373.884 2.622 0 50 FFAA CC(=O)N1CC(CNC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)C1 1875264940 XCBWSYWXQSQFTJ-UHFFFAOYSA-N 374.444 2.747 0 50 FFAA C[C@@H](NC(=O)[C@H](N)Cc1n[nH]c2ccccc12)c1cccc2cnccc12 1875347583 QJCFXRMIJODTJW-FZKQIMNGSA-N 359.433 2.858 0 50 FFAA CC(C)n1cnc(C(=O)N[C@@H]2CCCN(C(=O)C3CC4(CC4)C3)[C@@H]2C)c1 1875406591 HVWALKLHLDZLMN-GDBMZVCRSA-N 358.486 2.764 0 50 FFAA O=C(COc1ccccn1)Nc1cc2c(cc1Br)OCCO2 952845732 MRGWUWQPKNFIRA-UHFFFAOYSA-N 365.183 2.633 0 50 FFAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)CCN1CCCCCC1=O 952986413 HNKWGMPDANPKAS-UHFFFAOYSA-N 359.470 2.864 0 50 FFAA CCc1ncc(S(=O)(=O)N2CCC[C@H](COc3ccccc3C)C2)[nH]1 952990759 IDKBFPGZJOFYSI-HNNXBMFYSA-N 363.483 2.760 0 50 FFAA C[C@@H]1C[C@H](NC(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 271227921 HUMSDJCPBDFTRA-GDBMZVCRSA-N 351.516 2.827 0 50 FFAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccccc2C(F)(F)F)cn1 275462894 HDDIMGFTJILEBW-ZBFHGGJFSA-N 352.360 2.548 0 50 FFAA CCC(=O)c1cc(C(=O)OCC(=O)N2CCCCCC2)ccc1N(C)C 170602330 ZEBMUHOYODEQRJ-UHFFFAOYSA-N 360.454 2.905 0 50 FFAA CN(CC1(CO)CC1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 187209062 CDWLTPFLZWAONM-AWEZNQCLSA-N 351.878 2.723 0 50 FFAA Cc1ccc(-n2cc(C(=O)N3CCOC[C@@H]3c3nc(C)cs3)nn2)cc1 188611685 WOOQOGWASUYZNH-MRXNPFEDSA-N 369.450 2.554 0 50 FFAA CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)CC1 755222523 AVDTZEQYNHVXFQ-QZTJIDSGSA-N 350.466 2.651 0 50 FFAA O=C(c1ccc2c(c1)ncn2CCO)N1CCOc2ccc(Cl)cc2C1 1506395032 AMEBYWYYCHUTDE-UHFFFAOYSA-N 371.824 2.717 0 50 FFAA C[C@H](c1ccccc1)n1nccc1NC(=O)c1ccc(-n2cnnn2)cc1 1529138489 DDFYVSGQENQWCV-CQSZACIVSA-N 359.393 2.720 0 50 FFAA COc1cc(F)ccc1CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704307985 BECRTOWPNDUDEM-PZJWPPBQSA-N 373.424 2.715 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc2n1 1704343044 IQKCVAZRMVTHLV-IFMALSPDSA-N 367.493 2.770 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)N2CCOCC2)cc1 1134081 MZNKCVYJBCJWKG-XDJHFCHBSA-N 350.418 2.625 0 50 FFAA CCCN1CCC(N2C[C@H](Cc3ccnc4ccccc34)[C@@H](O)C2)CC1 1616077861 HWPNNJPHSCUHIO-AVRDEDQJSA-N 353.510 2.944 0 50 FFAA CCOc1ncccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 1775979317 KPCIUUJOHPXWFN-UHFFFAOYSA-N 365.477 2.796 0 50 FFAA CC(C)(O)CCN1CCCN(C(=O)CCc2ccccc2Cl)CC1 1772711773 JZYJIAMHXDWCMU-UHFFFAOYSA-N 352.906 2.968 0 50 FFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772818967 CTQIJEMXRZDLJR-LJQANCHMSA-N 374.824 2.640 0 50 FFAA CN(C[C@H](O)c1ccccc1)C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 11934000 WSYVWXHKWCAVFF-SFHVURJKSA-N 370.840 2.785 0 50 FFAA CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccnc1 13941845 CNVINTDHMUPVCL-SNVBAGLBSA-N 360.468 2.936 0 50 FFAA O=C1C[C@@H](C(=O)N2CCCCC2)Cc2nc(NC(=O)C3CCC3)sc21 15068517 LLUGLWWWGRCBLZ-LBPRGKRZSA-N 361.467 2.639 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(F)c4)CC3)nn2)n1 169777358 GQAVHHBSNQLVSL-UHFFFAOYSA-N 370.388 2.507 0 50 FFAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNC(=O)CC=Cc3ccccc3F)C2)n1 1857532527 QTJXOVGCCSCMQD-ZMSDIMECSA-N 359.401 2.591 0 50 FFAA Cc1cnnc(N2C[C@@H]3[C@H](CNC(=O)CCC(C)C)[C@H]4CC[C@]3(C2)O4)c1C 1875247898 SYFNWBQZYCITFN-XKGFGPFHSA-N 372.513 2.630 0 50 FFAA CN(C)c1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1 219293127 FYGASYORCHZUOZ-NQIIRXRSSA-N 364.493 2.884 0 50 FFAA O=C(c1cn(C2CCNCC2)nn1)N(Cc1ccccc1F)C1CCC1 237822197 RWCKOEAOPGWSJG-UHFFFAOYSA-N 357.433 2.537 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(c1nccc(-c3ccc(C)nc3C)n1)C2 248332720 JBZBWPRWOGRARH-ROUUACIJSA-N 367.497 2.702 0 50 FFAA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(O)ccc2Cl)C1=O 378030696 UOWNHUZENZYNTD-CQSZACIVSA-N 360.797 2.590 0 50 FFAA CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CCC2 708795 IKXAUNIHAYCCID-UHFFFAOYSA-N 363.464 2.934 0 50 FFAA O=C(CCc1ccccc1N1CCOCC1)N[C@]12CCCC[C@@H]1OCC2 2325766871 YGKXQSPFXZTTTO-FPOVZHCZSA-N 358.482 2.674 0 50 FFAA C[C@@H](CC1CCNCC1)NC(=O)CCCN1C(=O)CCc2ccccc21 2325774915 GGKHDHXCVXRFIM-INIZCTEOSA-N 357.498 2.640 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O 812896 MDAFSWRNBQNJQH-SFHVURJKSA-N 368.389 2.772 0 50 FFAA CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 1070108 PAYDMMYXDIIGOQ-UHFFFAOYSA-N 363.435 2.909 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 1147713 CAYDCOIZLMTNOB-UHFFFAOYSA-N 368.480 2.564 0 50 FFAA COc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12 2769556 OBFSNHJYUCRCPF-UHFFFAOYSA-N 360.364 2.956 0 50 FFAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 4870234 OCFHBHCQEMZQJK-UHFFFAOYSA-N 357.362 2.687 0 50 FFAA COc1ccc(C(=O)N(c2cccc(OC)c2)[C@H]2C=CS(=O)(=O)C2)cc1 6730356 IFNRMFIJWAPMCF-INIZCTEOSA-N 373.430 2.661 0 50 FFAA CC(=O)Nc1nc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)cs1 115456908 ZCPFOTPMKVSFIG-OAHLLOKOSA-N 358.467 2.843 0 50 FFAA CCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CCC(=O)N1 55109325 LJLUUOKOILWION-QGZVFWFLSA-N 351.406 2.718 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)nc1 67674990 YSJUSFHXDXFDSC-UHFFFAOYSA-N 364.401 2.620 0 50 FFAA COc1ccc(-c2nc(CN3CCC(=O)NC[C@@H]3C)c(C)o2)c(OC)c1C 67447380 MLNODAONLQRKAM-LBPRGKRZSA-N 373.453 2.686 0 50 FFAA Cc1cccc(-n2cc([C@H]3CC(=O)NCc4nc5ccccn5c43)cn2)c1 65386429 RZANAQVPOOSDCE-QGZVFWFLSA-N 357.417 2.980 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(-c3ccc(CO)cc3)nc2)no1 67446613 QZDGPAXVZCKOCZ-UHFFFAOYSA-N 352.394 2.677 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 65405140 NYTSBGOZMHQUTA-UHFFFAOYSA-N 356.455 2.728 0 50 FFAA Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccc(F)cc1)CC(O)=N2 33011478 JWFBRCCANFNDKY-ZDUSSCGKSA-N 363.356 2.881 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 328603941 HOHDOQAMAODYEV-HNNXBMFYSA-N 356.825 2.767 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2CCN(CC(F)(F)F)CC2)cn1 328630000 IYBLYXUMAKCPMM-ZBFHGGJFSA-N 373.423 2.679 0 50 FFAA C[S@](=O)C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccccc1 173139243 XLJTWNZOWIJQJB-OWJWWREXSA-N 353.390 2.580 0 50 FFAA CS(=O)(=O)c1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1 1385071 RWDCBCBLBJLQKL-UHFFFAOYSA-N 352.462 2.967 0 50 FFAA CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCNC1 236625276 VMTCVHDPKVLUBO-PBHICJAKSA-N 365.905 2.600 0 50 FFAA CCN(CC)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 127403137 DALGBTLKHUJFIU-QGZVFWFLSA-N 356.470 2.764 0 50 FFAA Cc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 38528474 TZINPCUDSOHQLD-UHFFFAOYSA-N 365.481 2.738 0 50 FFAA O=C(Cn1ccc2ccccc21)N1CCN(c2ncnc3ccccc23)CC1 72421214 DCOQQYBMIXOFMN-UHFFFAOYSA-N 371.444 2.933 0 50 FFAA O=C(Nc1ccccc1N1CCC(O)CC1)[C@@H]1Cc2cc(F)ccc2O1 129784554 CUIXVEPYRRTMRT-IBGZPJMESA-N 356.397 2.729 0 50 FFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)c2ccccc2oc1=O 217858841 JMQQGAFTFPAARS-ZDUSSCGKSA-N 370.357 2.908 0 50 FFAA biogenic O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccc(Cl)c(F)c1 39420973 HXMLIDTWKIXREL-AWEZNQCLSA-N 363.820 2.765 0 50 FFAA Cc1oc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C(=O)O 263030514 UOOICNHJJXQBLO-UHFFFAOYSA-N 361.369 2.790 0 50 FFAA CCc1ccc(Cn2nnc(C(=O)Nc3cnccc3OC)c2C)cc1 241720833 QSPRFDGJCRHPQU-UHFFFAOYSA-N 351.410 2.853 0 50 FFAA Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC(c3noc(C)n3)CC1)cn2C 219057426 GXLZQBZYAKDXLO-UHFFFAOYSA-N 366.421 2.558 0 50 FFAA CN(Cc1ccccc1)[C@@H]1CCCN(c2nc3c(cc2C(N)=O)CCC3)C1 72447131 JIMQGMBIUSGCOF-GOSISDBHSA-N 364.493 2.770 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)N1CCCC[C@H]1c1nccs1 72419403 PFYDCXINIGMBRV-INIZCTEOSA-N 359.499 2.519 0 50 FFAA CN(C)c1nccc([C@H]2CN(c3ccnc(C(F)(F)F)c3)CCO2)n1 287822618 QJBJBLLFQRBVMD-CYBMUJFWSA-N 353.348 2.534 0 50 FFAA CC(C)(O)c1cn(C2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1 48276230 FLQUCBJGJJQHPR-UHFFFAOYSA-N 366.824 2.775 0 50 FFAA O=C1CC[C@]2(CCCN(CCc3ccccc3)C2)CN1CCc1c[nH]cn1 82091735 FWUDCOVVYBBEIU-QFIPXVFZSA-N 366.509 2.900 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CC[C@@H](CN)C2)cc1OC 178546428 CDPFUHVYBORYNI-NSHDSACASA-N 371.275 2.667 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1C 82108016 IWBQWUJFTCCKDP-UHFFFAOYSA-N 373.840 2.977 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCCSC1CCCCC1 426523237 TWAIGVWXGHSJQX-OAHLLOKOSA-N 350.532 2.532 0 50 FFAA CC[C@@H](NC(=O)c1ccc(OCCCN)c(Cl)c1)c1ncc(C)[nH]1 426485514 AZZBEVOVIAXDAR-CQSZACIVSA-N 350.850 2.980 0 50 FFAA O=C(COCc1ccccc1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91486971 GZONPOAIWUUAIX-PKOBYXMFSA-N 371.506 2.783 0 50 FFAA O=C(NCC1(c2ccccc2)CCCCC1)N1CCN(CCCO)CC1 426420060 JKBMLALKCDFJAI-UHFFFAOYSA-N 359.514 2.598 0 50 FFAA CC(C)n1cnnc1[C@@H]1CCCN(c2ncnc3c2ncn3C2CC2)C1 292680720 IRKZHOONMSZJQT-CYBMUJFWSA-N 352.446 2.718 0 50 FFAA Cc1cc2cc(NC(=O)NCC[C@@H]3CCC(=O)N3CCN(C)C)ccc2o1 96166704 DTPJKEKDEROVAU-KRWDZBQOSA-N 372.469 2.805 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2O)C1 91434496 VJQKHTXNHHUYGJ-FQEVSTJZSA-N 363.421 2.562 0 50 FFAA Cc1nc(-c2nc(CCc3c(C)nc(=O)[nH]c3C)n(C(C)(C)C)n2)cs1 96148316 PJECCHYJHSBHJF-UHFFFAOYSA-N 372.498 2.950 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCc1nc3ccccc3s1)CC2 426504664 WDKKZCBQRHZPJN-ACWOFJMJSA-N 360.479 2.760 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1c(C)cccc1C)CC2 91255983 UHENYHPNMBVCLJ-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA CNC(=O)c1ccc(NC(=O)NC[C@@H]2OCCc3ccccc32)c(C)c1 97773165 AOOJJKWQLOUQPB-SFHVURJKSA-N 353.422 2.790 0 50 FFAA CC[C@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)c1cn2cccnc2n1 95388602 RPTPWSAOUZBHDB-HNNXBMFYSA-N 351.385 2.951 0 50 FFAA COc1ccc([C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)c2ccncc2)cc1 91708169 KVHKJTVGOJIRDX-IBGZPJMESA-N 363.417 2.915 0 50 FFAA Cn1nc2cccc(NC(=O)N[C@H]3CCCN(Cc4cccs4)C3)c2n1 97307208 RUFLXWOZQWUCFW-ZDUSSCGKSA-N 370.482 2.816 0 50 FFAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 91602567 PMSFOTAWXLMTHA-CYBMUJFWSA-N 367.755 2.809 0 50 FFAA O=C(O)[C@@H](c1cccc2c1OCC2)N1CCC(Oc2cccnc2)CC1 95523350 APZXWPNYIHOTGR-GOSISDBHSA-N 354.406 2.686 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cnc(-c2ccncc2)nc1 95378459 FSCPMWAGNYWTFC-HXUWFJFHSA-N 373.460 2.933 0 50 FFAA Cc1ccc(CN2C[C@H]([C@H](C)OC(C)(C)C)NC[C@@H]2[C@H](C)O)cc1F 245204392 AOETUOPIFXUJJP-ILRDRHFLSA-N 352.494 2.861 0 50 FFAA NC(=O)c1ccc(-c2nc3c([nH]2)CCN(c2cnc4ccccc4n2)C3)cc1 244852541 UUGKVOOVRNVEJP-UHFFFAOYSA-N 370.416 2.682 0 50 FFAA O=C(CCCN1Cc2ccccc2C1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 252537331 KYNQLAGHPHZDIB-PXNSSMCTSA-N 369.509 2.803 0 50 FFAA CNc1nc(C)cc(-c2cccc(C(=O)N[C@H](C)CCn3cccn3)c2)n1 534676856 NGTGLVLYGRLJKN-CQSZACIVSA-N 364.453 2.899 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccco2)CC1 670468902 YUSVKBHWCPRTFX-HXUWFJFHSA-N 370.449 2.760 0 50 FFAA CN(c1ccccc1)c1ccc(C(=O)O[C@@H]2CNC(=O)C(C)(C)C2)cn1 1875344909 QGAFZUOQKTWSEL-INIZCTEOSA-N 353.422 2.921 0 50 FFAA C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1nc2cccnc2[nH]1 1875306265 YVDCFUIIEXZBTO-GWQKEKGPSA-N 371.466 2.598 0 50 FFAA C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1 1875350103 APSCTVRQDRRPSW-ZDUSSCGKSA-N 363.421 2.510 0 50 FFAA CN=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2cn(-c3ccccc3)cn2)C1 1875395850 NPNCYXCXJJESGA-NIYFSFCBSA-N 372.494 2.739 0 50 FFAA Cc1cc(N2CCC[C@H](c3nnc4n3CCC4)C2)nc(N(C)C(C)C)n1 1875273385 UMDHIKZPBYGQLP-HNNXBMFYSA-N 355.490 2.551 0 50 FFAA COc1cccc(NC(=O)C2CCN(C(=O)c3ncccc3OC)CC2)c1 1875269462 YBZZLRAASIIYFX-UHFFFAOYSA-N 369.421 2.590 0 50 FFAA COc1ccc(F)c(F)c1C(=O)Nc1ccccc1NC(=O)CN(C)C 952974591 ZZEBCHAQELNQBO-UHFFFAOYSA-N 363.364 2.726 0 50 FFAA C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1ccc(C(F)(F)F)nc1 874645249 YXBYSRAMIRTXBZ-ZETCQYMHSA-N 364.274 2.926 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)C(=O)Nc2c(F)cccc2F)ccc1F 1465685820 ZDOXSTJRXMWXDV-UHFFFAOYSA-N 363.295 2.806 0 50 FFAA Cc1cc(I)cnc1NC(=O)[C@@H]1CCO[C@H](C)C1 272068007 KYJUPUORPJSEJG-NXEZZACHSA-N 360.195 2.748 0 50 FFAA CCCc1ncc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)s1 275233568 AZAJPRZMXQSKFX-LLVKDONJSA-N 350.444 2.816 0 50 FFAA O=C(NCc1ccccc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1 275605516 FMIOYKUXRUYOAX-UHFFFAOYSA-N 369.387 2.859 0 50 FFAA O=C1CCCN1[C@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 276835967 RVPSQURZOVSLDO-IBGZPJMESA-N 351.450 2.857 0 50 FFAA CC(=O)c1ccc2c(c1)CCN(S(=O)(=O)N(C)C1CCCCC1)CC2 407996787 HBAZHFUFXLAJAR-UHFFFAOYSA-N 364.511 2.799 0 50 FFAA COc1ccc(NC2(C(=O)NCc3cc(O)nc(C)n3)CCCCC2)cc1 1506428281 OOKBDIYTYWROLO-UHFFFAOYSA-N 370.453 2.930 0 50 FFAA CCOc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1CO 1529189115 GVRDAAYQPVWNFF-NHCUHLMSSA-N 357.450 2.512 0 50 FFAA CCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 1529179374 XDLITBKAFRPFEW-OAHLLOKOSA-N 370.453 2.990 0 50 FFAA COc1ccc([C@@H](O)C(=O)N2CCC3(CC2)OCCc2sccc23)cc1 1704337327 VBRXIMLVFNZRCV-GOSISDBHSA-N 373.474 2.881 0 50 FFAA Cc1ccc(N2CCC(N3C[C@H](Cc4ccccn4)[C@@H](O)C3)CC2)cc1 1616072723 BNDDBXWIHIAHRH-AVRDEDQJSA-N 351.494 2.894 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(Cl)cc1Cl 5051340 SKFOVPYXIOMXPO-UHFFFAOYSA-N 365.282 2.818 0 50 FFAA COCC(=O)N(CC1CCN(Cc2ccccc2C)CC1)C[C@H]1CCCO1 12193165 QFHKFTVQGUBDOE-OAQYLSRUSA-N 374.525 2.861 0 50 FFAA CC1=C(C(=O)N2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)OCCO1 12202123 YLZZMUVVPIXVFO-HNNXBMFYSA-N 371.355 2.754 0 50 FFAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccc[n+]([O-])c1 12385415 QNFZWHBVNNRYMR-MRXNPFEDSA-N 370.359 2.591 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19854111 UILFOLMGZSTOOG-UHFFFAOYSA-N 373.453 2.814 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@H](O)C1CCCCC1)CC2 1857708943 VRPBOUFXSVMZKY-OAQYLSRUSA-N 367.493 2.956 0 50 FFAA O=C(c1cn2c(n1)CCNCC2)N1CCC[C@H]1c1nc2ccccc2s1 1857726245 YXSMGPWSYKKABJ-HNNXBMFYSA-N 367.478 2.616 0 50 FFAA CC(C)c1nccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)n1 1857732583 WUILKQSKEXTMMY-JENIJYKNSA-N 366.465 2.544 0 50 FFAA Cc1ncccc1CN1C[C@@H]2[C@H](CNC(=O)CCC(C)C)[C@H]3CC[C@]2(C1)O3 1857741372 PHLFNRGRBVYZMT-GPQLQYNLSA-N 371.525 2.922 0 50 FFAA CC(C)[C@H](C)NC(=O)Cn1c(=O)oc2cc(Br)c(F)cc21 331157338 WBDLEJLVSVGYNY-QMMMGPOBSA-N 359.195 2.657 0 50 FFAA CC1=CC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)OCC1 1704339033 NBCOQRRZHWHRKF-UHFFFAOYSA-N 363.479 2.578 0 50 FFAA CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)c1cc[nH]n1 937118753 LZQCQQVIYQXGQY-SZVBFZGTSA-N 366.465 2.702 0 50 FFAA C[C@@H](Cc1coc2ccccc12)NC[C@]1(N2CCOCC2)CCCOC1 2325750489 QOQIMRSZBZSGMV-LAUBAEHRSA-N 358.482 2.835 0 50 FFAA Cc1nc2ccccn2c(=O)c1CCN1CCO[C@](C)(C(F)(F)F)CC1 2325773025 KVPYZFMMVMRIJL-KRWDZBQOSA-N 369.387 2.589 0 50 FFAA O=C(Cc1cc(O)cc(Br)c1)NCc1cnoc1C1CC1 2325781123 MXSAMYHCICKYDV-UHFFFAOYSA-N 351.200 2.879 0 50 FFAA O=C(N[C@H]1CCCN(C(=O)c2ccoc2)C1)c1cccc(N2CCCC2)c1 2325786990 RVQOUPMUTTXXGE-SFHVURJKSA-N 367.449 2.914 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2c(C)nn3c2CCCC3)C1 2325798735 UZSZOLGSOSPFRZ-HNNXBMFYSA-N 358.442 2.564 0 50 FFAA N=c1[nH]nc(C2CN(C(=O)C[C@@H](c3ccc(Cl)cc3)C(F)(F)F)C2)o1 2325810839 IGLUMNMKDQPDGT-NSHDSACASA-N 374.750 2.798 0 50 FFAA CN(C)[C@@H](CN=c1[nH]c2cc(Br)cnc2[nH]1)c1ccsc1 2325859742 JCTWNZQLZOFONH-LBPRGKRZSA-N 366.288 2.919 0 50 FFAA COc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 791162 BQIITXZQKMMIOC-UHFFFAOYSA-N 373.434 2.731 0 50 FFAA CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2)CC1 810012 LYXIBOSFWWGDJA-UHFFFAOYSA-N 352.438 2.783 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 1141916 OSEKFHICEVLOKS-UHFFFAOYSA-N 371.361 2.708 0 50 FFAA CCO[C@@H](NC(=O)c1ccccc1)[C@H](NC(=O)c1ccccc1)OCC 2900568 SSESRMHURAXLED-WOJBJXKFSA-N 356.422 2.572 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2ccc(F)cc2F)CC[C@@H]1O 2356167963 KFHHOOIRTJJMAU-MAUKXSAKSA-N 355.381 2.679 0 50 FFAA O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 4814369 QUUMKWFEKDIGGG-UHFFFAOYSA-N 354.225 2.862 0 50 FFAA CC1(C)NC(=O)N(C[C@H](O)CN(C2CCCCC2)C2CCCCC2)C1=O 6263393 SYDMSWCBHXTKQW-QGZVFWFLSA-N 365.518 2.645 0 50 FFAA CN(C)C(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1Cl 248034792 UMHUZFLBOPQWFQ-FCIDVOKBSA-N 362.813 2.503 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1F 104402183 MLMQCXWEKVOJBD-QGZVFWFLSA-N 362.445 2.805 0 50 FFAA O=C(NCCc1csc(N2CCCC2)n1)c1cc(F)cc2[nH]cnc12 117983510 QONDCCHLHOJJER-UHFFFAOYSA-N 359.430 2.731 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(CC(C)(C)CO)C2)cc1OC 20869390 XNWZNBKZNIXDPB-GOSISDBHSA-N 364.530 2.661 0 50 FFAA Cc1ccc(C(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1 67601884 SUJFQACNPXHGCP-UHFFFAOYSA-N 353.470 2.926 0 50 FFAA CC(C)=CCN1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1CCO 20599180 VGQBLRCYXHGLAI-NRFANRHFSA-N 354.498 2.707 0 50 FFAA O[C@@H]1CN(Cc2nc3ccccc3[nH]2)CC[C@H]1c1ccc2c(c1)OCO2 67773771 GIQSULQTDBSXEF-WMLDXEAASA-N 351.406 2.642 0 50 FFAA O=C1C[C@H](c2cnc(-c3ccccn3)nc2)c2cnn(Cc3ccco3)c2N1 65490075 WXAZHWFWXFDNPV-OAHLLOKOSA-N 372.388 2.851 0 50 FFAA CC(=O)Nc1ccccc1SCC(=O)N(C)Cc1c(C)nn(C)c1C 1506401081 BTWFOCQZDCNZGQ-UHFFFAOYSA-N 360.483 2.746 0 50 FFAA CSc1nn2c(=O)cc(CN(C)Cc3sccc3C)nc2s1 1506418327 WUSGXLAUBGJPES-UHFFFAOYSA-N 352.510 2.875 0 50 FFAA O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1cc(-c2ccc(F)cc2)[nH]n1 328594865 DZAFFTVYKQFKIK-HNNXBMFYSA-N 367.380 2.889 0 50 FFAA CCn1c(C2CCN(Cc3cc(C)n(C(C)C)c3C)CC2)nn(C)c1=O 67872530 HMMABBJIFSWYDO-UHFFFAOYSA-N 359.518 2.981 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)C2=COCCC2)cs1 328604202 IVSIDTXSLQCFCQ-HOCLYGCPSA-N 353.463 2.517 0 50 FFAA COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1Sc1ncccn1 1391240 BDHUUQAWYHKLCY-UHFFFAOYSA-N 374.809 2.614 0 50 FFAA Cc1ccc(NC(=O)N2CCOC23CCN(c2ncccn2)CC3)cc1 1391547 RUCHJINCTAEEHL-UHFFFAOYSA-N 353.426 2.646 0 50 FFAA CCn1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)c(C)n1 5674724 COILTKUDUJXCFZ-INIZCTEOSA-N 355.467 2.643 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCC(C(F)F)CC1 332545313 MNJYGEOWJQXZSG-UHFFFAOYSA-N 354.401 2.736 0 50 FFAA CCOc1cc(C(=O)N[C@@H](C)C(OC)OC)ccc1OCc1cccnc1 253417392 WXIXGXLSJBPGHG-AWEZNQCLSA-N 374.437 2.797 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 77471275 OWZOJWTZUXYSDR-HNNXBMFYSA-N 357.389 2.939 0 50 FFAA O=S(=O)(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc2c(c1)CCC2 159334458 DMVQFKSAYRFIAG-IBGZPJMESA-N 357.475 2.967 0 50 FFAA Cc1ncncc1C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72408316 SXCKCGBABXVUGQ-UHFFFAOYSA-N 365.355 2.928 0 50 FFAA O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC1CCN(CC2CC2)CC1 214984149 XEMRIHIYGIAFSW-UHFFFAOYSA-N 360.889 2.997 0 50 FFAA CCOCC(=O)N1CCC(Oc2ccc3ccccc3c2)(C(=O)O)CC1 72475277 JJDCRDOVCDDCIT-UHFFFAOYSA-N 357.406 2.701 0 50 FFAA Cc1nccn1CC[C@H](NC(=O)c1nnc2n1CCCC2)c1ccccc1 215753267 ALNGFXDXKCHAST-KRWDZBQOSA-N 364.453 2.681 0 50 FFAA Cc1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)cnn1C 72463062 RNQJWVIOZNBPMQ-QFBILLFUSA-N 372.538 2.846 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 77321649 OTTUECZZOQGFEJ-UHFFFAOYSA-N 368.525 2.946 0 50 FFAA Cc1cccnc1[C@H](C)Nc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71422367 FIDMUKZKRDASIH-HNNXBMFYSA-N 374.448 2.947 0 50 FFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCN(Cc2cccc(F)c2)CC1 72472874 HQHQPWQNDVZITH-UHFFFAOYSA-N 368.412 2.622 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc(-c2nnc(C)n2C)c1 378221372 UPSXNNFVMBJHEU-UHFFFAOYSA-N 373.420 2.932 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@H](CN2CCCCC2)C1 131173208 UXNNFXYUSGPEAW-OAHLLOKOSA-N 374.451 2.977 0 50 FFAA CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1NS(C)(=O)=O 241171066 KDYYKASTZGMLMR-HNNXBMFYSA-N 363.464 2.817 0 50 FFAA CCCc1cc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)n(C)n1 215668210 NRFGKKLVVLNCSR-HXUWFJFHSA-N 353.422 2.623 0 50 FFAA Cc1n[nH]c(SCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n1 72432060 VMUMKIKIOJMJLB-UHFFFAOYSA-N 359.480 2.987 0 50 FFAA CCCc1cc(C(=O)N2CCC[C@@H](Cn3cc(CC(C)C)nn3)C2)[nH]n1 48066940 CMLANQWREOLFPZ-OAHLLOKOSA-N 358.490 2.705 0 50 FFAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1[nH]cnc1-c1ccccc1 72146458 RHBRSRZWDOFGPO-SFHVURJKSA-N 374.444 2.650 0 50 FFAA CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2C1 77524138 YPKAVLDHMZTUDR-CQSZACIVSA-N 358.463 2.631 0 50 FFAA CCCc1nc(N2CCC[C@@H](C(=O)c3cccnc3)C2)c2cnn(C)c2n1 72410446 DOOIJLKIGCFADI-OAHLLOKOSA-N 364.453 2.810 0 50 FFAA Cc1ccccc1-n1cc(CN(C)C(=O)COC[C@H]2CCCCO2)cn1 220293984 MDFYSFGDNCCKQI-GOSISDBHSA-N 357.454 2.725 0 50 FFAA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(O)(CN2CCCC2)CC1 220587295 AFOHDQKQZSGZFU-UHFFFAOYSA-N 371.308 2.985 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)cc(=O)[nH]1 82161784 DGNJZBNLBGWBSP-CYBMUJFWSA-N 361.829 2.517 0 50 FFAA Cc1cn2cc(C(=O)NC3(c4nnc(N)s4)CCCCC3)ccc2n1 82158185 XZYIGXYGZWFVNQ-UHFFFAOYSA-N 356.455 2.666 0 50 FFAA CCCn1cnnc1CNC(=O)N(C)Cc1cnn(-c2ccccc2C)c1 426649747 SDWBYOQLTAAISG-UHFFFAOYSA-N 367.457 2.524 0 50 FFAA Cc1nn(CC(=O)N2CCC[C@H]2c2nc(-c3ccccn3)no2)cc1Cl 223175971 LTCXLSRHVPTPJV-AWEZNQCLSA-N 372.816 2.654 0 50 FFAA Cc1ccc2oc(=O)n(CC(=O)N[C@@H](c3cccnc3)C(F)(F)F)c2c1 426707260 SRDNUAIAYNSQAC-HNNXBMFYSA-N 365.311 2.718 0 50 FFAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)N[C@H](C)c3nc(N)n[nH]3)c2c1 426494372 KLTREAASCRMXEM-GFCCVEGCSA-N 373.420 2.797 0 50 FFAA CCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4CC)C(=O)[C@H]13)O2 239203494 SMBHTVWBJZTLQK-WIRSXHRWSA-N 355.434 2.879 0 50 FFAA CN(C)C(=O)c1cc(NC(=O)N2CCCN3CCC[C@H]3C2)ccc1Cl 426739875 UCWSADQGWCBOTJ-AWEZNQCLSA-N 364.877 2.744 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccccc3N(C)C)C[C@H]2C(=O)O)c1 91526284 QKJVUWQKRWLIRR-ZWKOTPCHSA-N 368.433 2.702 0 50 FFAA O=C(NC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1)C1CC1 179913708 FNJJRBLSQMJLFQ-HXUWFJFHSA-N 358.482 2.735 0 50 FFAA O=C1CCC2(CCNCC2)CN1CCc1csc(-c2ccncc2)n1 91847713 OZDXAOYEQTVHAB-UHFFFAOYSA-N 356.495 2.740 0 50 FFAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 95386736 KGEJXQJEAICNFG-OAHLLOKOSA-N 356.470 2.529 0 50 FFAA NC(=O)Cn1ccnc1[C@H]1CCCN(c2ccnc3cc(Cl)ccc23)C1 95509313 KXBURJRQZOWNGR-ZDUSSCGKSA-N 369.856 2.954 0 50 FFAA CCOCCC(=O)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 91548171 QEJLCTQBXOIMJH-UHFFFAOYSA-N 372.509 2.887 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1 91574117 MTOOQPULRFHYOT-HNNXBMFYSA-N 350.422 2.846 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@@H]2CCCO2)s1 91644689 PPRIOPKVPQVWEF-HNNXBMFYSA-N 364.511 2.974 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)N1CCN(C2CCSCC2)CC1 95525263 VXHSNUQTMYSNDD-UHFFFAOYSA-N 371.510 2.917 0 50 FFAA O=C1CC2(CCN(c3ncccn3)CC2)CN1Cc1ccc(F)c(F)c1 91707068 JZNFOANNMUBQRU-UHFFFAOYSA-N 358.392 2.774 0 50 FFAA COc1ccc2cc([C@H](C(=O)O)N3CCCN(C(C)=O)CC3)ccc2c1 95353851 VLOZHGNWBWJBJW-LJQANCHMSA-N 356.422 2.528 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1Cc2ccccc2CN1C 95371528 KEQGSEPHXIDMQC-GOSISDBHSA-N 352.463 2.706 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1c(C)cc(C)nc1OC)C2 92081323 IVOBIVNPBIZDBP-OAHLLOKOSA-N 356.422 2.583 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)Cc1noc3ccccc13)C2 95500906 HUDHUCGNFIGXNM-ZDUSSCGKSA-N 352.390 2.746 0 50 FFAA O=C(CCc1cn2ccccc2n1)NC1CCN(C2CCSCC2)CC1 97546634 FZNXLPNRPCWSMM-UHFFFAOYSA-N 372.538 2.743 0 50 FFAA CN1CCC[C@H](CCc2nc(Cc3cccc(Cl)c3)nn2CCO)C1 96130440 BPPIQSHHRVLDQL-OAHLLOKOSA-N 362.905 2.789 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3ccccc3c1O)C2 91908443 UHFFALYLFQZMFU-GOEBONIOSA-N 367.449 2.763 0 50 FFAA CSCc1noc(CN2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)n1 92106763 JIDWNODXXVIMRA-SFHVURJKSA-N 364.515 2.547 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N[C@@H](CC)c2nc(C)c(C)s2)CC1 244678450 IDFRLMVIZAZCRR-HNNXBMFYSA-N 367.515 2.602 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC(F)(F)F)cc1 299753697 YZKWKGUCBHPUDZ-CYBMUJFWSA-N 361.316 2.681 0 50 FFAA COc1cc(C(=O)N2CCC[C@@H]2CN)ccc1OCc1csc(C)n1 299739514 POFAOCUVYCDNSR-OAHLLOKOSA-N 361.467 2.602 0 50 FFAA O=C(c1ccccc1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615494 CSFQHTYMRSIJKX-UHFFFAOYSA-N 361.449 2.571 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCC3(COc4ccccc4)CC3)C2)n[nH]1 534578482 PBPNAGCOTWUMLN-INIZCTEOSA-N 369.469 2.861 0 50 FFAA Cc1ccccc1COC1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 299756098 BPXCKEWNOQIYLD-UHFFFAOYSA-N 374.462 2.831 0 50 FFAA Cc1nc(CN2CC[C@@H](Nc3nc(-c4ccccc4)no3)[C@H](O)C2)cs1 299771685 VQYVSVJZRXVZJG-HZPDHXFCSA-N 371.466 2.549 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)N(C)CC[C@@H]1CCCCO1 299784657 ZUNXASDDNSEVKU-AWEZNQCLSA-N 354.472 2.821 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)N(C)CCCn1cccn1 299763238 YDQYYZPBCQAADD-UHFFFAOYSA-N 370.413 2.804 0 50 FFAA CN(C)Cc1nc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cs1 823719878 VMFOYSKKPSVQMF-UHFFFAOYSA-N 374.510 2.930 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 1875379393 SQEJZRDVZCHJTI-WDSOQIARSA-N 374.456 2.929 0 50 FFAA CC1(C)C[C@H](C(=O)NC2CC(Nc3ncnc(Cl)c3F)C2)CCO1 1875407230 VPDIJPSEZTZPEZ-KPPDAEKUSA-N 356.829 2.533 0 50 FFAA O=C(N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@@H]21)c1ccc(C2CC2)o1 1875407223 VKZZXUIDLJXOFD-QKPAOTATSA-N 354.450 2.924 0 50 FFAA Cc1cc2nc(NC(=O)c3ccc([C@@H]4CCOC4)cc3)cc(N(C)C)n2n1 1875285325 KAABDGYNOMWRNB-MRXNPFEDSA-N 365.437 2.860 0 50 FFAA CC(C)c1nnc(Cn2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)nn2)o1 881284343 AVRADKDDGHDEOR-LBPRGKRZSA-N 362.434 2.557 0 50 FFAA CC(C)Cc1cc(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)no1 952864341 YKTHEZZJMSXLTR-NSHDSACASA-N 356.382 2.570 0 50 FFAA CCCN(CC)c1ccc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)cn1 888077429 AYMAEEVVUNOLGC-HZPDHXFCSA-N 357.458 2.643 0 50 FFAA C[C@@H]1C[C@H](C(=O)N2CC[C@H](N(C)Cc3nccc(N)n3)C2)CC(C)(C)C1 275625856 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2.699 0 50 FFAA COc1cc(CCC(=O)N2CCCN(C(=O)C3CCC3)CC2)ccc1C 1772700790 HLAHLKSPLSECBD-UHFFFAOYSA-N 358.482 2.797 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)Cn1cccn1 11840368 PXIDNZUFNGPQSL-HNNXBMFYSA-N 356.474 2.629 0 50 FFAA C[C@@H](c1ccon1)N(C)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12299927 WSYVXSVHCPJTSX-NSHDSACASA-N 370.365 2.539 0 50 FFAA O[C@@H](COc1cccc(CN2CCSCC2)c1)CN1CCCCCC1 14962208 QOWGDBJWBYYYPM-LJQANCHMSA-N 364.555 2.851 0 50 FFAA CCn1ncc(CN[C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)c1C 15078367 KYXKJFRYVMSCAT-GOSISDBHSA-N 360.889 2.798 0 50 FFAA CC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(C)CC2)c1 16623698 PTRBDLNDEULNMU-CYBMUJFWSA-N 356.463 2.775 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1 16728200 HOUNRBZPKHDFPO-UHFFFAOYSA-N 372.368 2.544 0 50 FFAA CCc1noc(-c2ccn3c(CNC(=O)CCC4CCCC4)nnc3c2)n1 169776180 BFOPVQRYRTWRLI-UHFFFAOYSA-N 368.441 2.928 0 50 FFAA O=C1N/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1Cc1ccccc1F 4470587 RTMQEJGDHBKHCC-OQLLNIDSSA-N 354.337 2.690 0 50 FFAA CC[C@H](C)[C@H](C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)n1cnnn1 1857525746 XESGNVSDTAZXDO-SUMWQHHRSA-N 367.457 2.543 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)n[nH]c21 1857529093 RQMCGXPEYAEMIY-OLZOCXBDSA-N 358.417 2.533 0 50 FFAA O=C(NCCc1sccc1Br)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 1857530152 CXDWVAXOLAMBFA-RMIALFOJSA-N 373.316 2.759 0 50 FFAA Cc1ccc2ncnc(N3CCC[C@]4(CCC(=O)N(C5CC5)C4)C3)c2n1 1857697527 XHQIOKHAIKHHGI-FQEVSTJZSA-N 351.454 2.705 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@H]1CC(=O)N(c2nccs2)C1 1857721668 ANSLKBLCZZYWCA-INIZCTEOSA-N 355.463 2.691 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)C[C@@H]1O 212533571 PLHRIJSPHVQJFS-FPOVZHCZSA-N 355.434 2.710 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)N3C[C@H]4CC[C@@H](C3)N(C)C4)c12 216938784 XCFADQYDMUALGJ-WMZOPIPTSA-N 367.493 2.959 0 50 FFAA CC(C)Oc1ccc(-c2nc(C(=O)N3CCNC(=O)C3(C)C)cs2)cc1 109893082 FZEYXLAOEOJNKG-UHFFFAOYSA-N 373.478 2.948 0 50 FFAA CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2N)c1 11692975 HMISBKPUAYGNQB-UHFFFAOYSA-N 355.785 2.958 0 50 FFAA Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363659606 AVQZHLKPZBSKIZ-OAHLLOKOSA-N 360.889 2.876 0 50 FFAA Cc1sc(Br)cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)N)C1 227309237 RWABDCBRYWFAKO-WCBMZHEXSA-N 367.334 2.567 0 50 FFAA Cn1ncc2ncc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)cc21 2100480621 KOKNXXFYZCBWJI-UHFFFAOYSA-N 368.412 2.586 0 50 FFAA Cn1ccnc1-c1nnc(NC(=O)CCc2ccc3c(c2)CCCO3)s1 2325763910 OIORTPSIOIIVBZ-UHFFFAOYSA-N 369.450 2.835 0 50 FFAA Cc1cccnc1C(=O)N[C@H]1CCCN(C(=O)c2ncoc2C(C)C)C1 2325786795 DBCQSGDHJXNAGD-AWEZNQCLSA-N 356.426 2.536 0 50 FFAA CCCC1(C(=O)N2CC[C@@H](NC(=O)COCC3CC3)C(C)(C)C2)CC1 2325794068 POYXORDYDJVCAZ-MRXNPFEDSA-N 350.503 2.737 0 50 FFAA O=C(NC[C@H](CC1CC1)C(=O)O)c1c(Br)noc1C1CC1 2325813043 FSLBFFWLPQFHSU-VIFPVBQESA-N 357.204 2.545 0 50 FFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(=O)c2c(O)cccc2o1 2325851712 GUOMILSBSHDPRB-UHFFFAOYSA-N 361.357 2.819 0 50 FFAA CC(C)(C)c1ncc(CNS(=O)(=O)c2cnc3ccc(F)cc3c2)[nH]1 2325857131 QKBJKUOBZLTJDH-UHFFFAOYSA-N 362.430 2.873 0 50 FFAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H]1COc3ccccc3O1)CC2 823991 KIMYOWVJMVXTEI-RBZFPXEDSA-N 369.417 2.990 0 50 FFAA CC(=O)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1 1109448 GGPCOHHMZFVBDG-UHFFFAOYSA-N 353.422 2.696 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356133998 ROFLRVBWWNIUNZ-WIYYLYMNSA-N 366.461 2.514 0 50 FFAA Cc1nc(=NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)[nH]n1C(C)C 2356135178 SHVGNWFNUOIBRX-UHFFFAOYSA-N 352.398 2.769 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)c2csc(Cc3ccccc3)n2)C1=O 2356137476 ZRHBALADYQORHW-FQEVSTJZSA-N 369.490 2.961 0 50 FFAA CN(C(=O)Cc1csc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356143632 QHLIQEFWUBEXEK-UXLLHSPISA-N 369.490 2.726 0 50 FFAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1)c1ccccc1 2872280 ICSDHJDGCPDZIL-LLVKDONJSA-N 369.826 2.843 0 50 FFAA Cc1cccc(C)c1-n1nnnc1SCC(=O)NCc1cccs1 3105552 SDORWLVAHLGVOQ-UHFFFAOYSA-N 359.480 2.749 0 50 FFAA CC(C)NC(=O)NCC12CC3CC(C1)CC(CNC(=O)NC(C)C)(C3)C2 4661487 DSXYOBRBOMASQN-UHFFFAOYSA-N 364.534 2.988 0 50 FFAA Cc1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 6700032 QNEVGRBONKQQGX-UHFFFAOYSA-N 373.478 2.842 0 50 FFAA CCOc1ccccc1CN1CCN(C2CCSCC2)C[C@H]1CCO 104365027 OGXSSDGXZVYKAC-LJQANCHMSA-N 364.555 2.850 0 50 FFAA CCn1c([C@H]2CCCNC2)nn(Cc2nc(-c3cccs3)oc2C)c1=O 67851459 NJZISCBNHLNYPT-ZDUSSCGKSA-N 373.482 2.605 0 50 FFAA Cc1ccc(-c2nnc(-c3nc(S(C)(=O)=O)ncc3Cl)o2)cc1 28289415 NHRUBZBAEQNMJU-UHFFFAOYSA-N 350.787 2.559 0 50 FFAA C[C@@H]1C=CC[C@H]2C(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 100398428 MDEGNVHESXQNCJ-ZDSQKVDBSA-N 353.205 2.835 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1 55451751 LTLIXPDLMKITTB-UHFFFAOYSA-N 373.472 2.973 0 50 FFAA C[C@H](CC(=O)NCc1cccnc1-n1cnc2ccccc21)n1cccn1 67908427 IUXHKXKUUMMXNG-OAHLLOKOSA-N 360.421 2.885 0 50 FFAA Cc1cc(-c2cc(S(=O)(=O)N(C)Cc3ccccn3)c(C)s2)n[nH]1 1506341174 CNNWCSPYKHWMLY-UHFFFAOYSA-N 362.480 2.971 0 50 FFAA O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)(C(=O)O)CC1 307477490 VPSWETIYGIVCKV-UHFFFAOYSA-N 367.401 2.847 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(N(C)C)nc3)CC2)nc(C)n1 328629094 HXVZMHKVYXKICV-INIZCTEOSA-N 368.485 2.661 0 50 FFAA CC(C)(C)c1nc(=NC(=O)N2CCO[C@H](Cc3ccccc3)C2)s[nH]1 329232602 LJYYPPBDEOBLRQ-CQSZACIVSA-N 360.483 2.733 0 50 FFAA C[C@H](O)CN1CCN(Cc2c(F)cccc2OC(F)(F)F)[C@@H](C)C1 252572026 YURAQBYVEDEGGA-RYUDHWBXSA-N 350.356 2.611 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H](Oc2c(F)cc(F)cc2F)C[C@H]1C(=O)O 39954187 NSYQCVHTVBDZLM-CABZTGNLSA-N 361.316 2.945 0 50 FFAA O=C(O)CCN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21 307720811 PNAIQQVUQMQJTD-UHFFFAOYSA-N 355.390 2.705 0 50 FFAA C[C@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@H](C)O1 2775032 LXLLITBRTAHXKW-UWVGGRQHSA-N 350.369 2.794 0 50 FFAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC[C@H](CO)[C@H]3C)C2)c1 331795595 LFFGTFDMHBBDOF-FGTMMUONSA-N 373.497 2.858 0 50 FFAA COc1ccc([C@H](NC(=O)c2cc(Cl)c[nH]c2=O)c2ccncc2)cc1 215128223 ITVKARBVJAUUKC-KRWDZBQOSA-N 369.808 2.951 0 50 FFAA Cc1cccnc1N1CCN(C(=O)[C@@]23CC[C@@](C)([C@H](O)C2)C3(C)C)CC1 39485965 QPNCLMQVKFGYRP-TYCQWZJGSA-N 357.498 2.616 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCN(c2ccncc2C)CC1)N(C)C 219032272 GQTINYKYUCNHPT-HXUWFJFHSA-N 352.482 2.650 0 50 FFAA CC(C)[C@@H]1CN(CCc2cn[nH]c2)CCC(=O)N1Cc1ccc(F)cc1 71738584 BTHFAYSJZFBZLC-IBGZPJMESA-N 358.461 2.850 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 77387456 JGPNJWWXAKWGGJ-GOSISDBHSA-N 364.873 2.625 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)CCCn3cccn3)C2)c1 77376826 HMEAZOGHELUTCL-KRWDZBQOSA-N 357.454 2.990 0 50 FFAA O=C(c1[nH]nc2c1CCCC2)N1CCCN(Cc2ccc(F)cc2)CC1 126812258 BGMQOLPHDNZRBQ-UHFFFAOYSA-N 356.445 2.776 0 50 FFAA COC1(c2ccccc2)CN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)C1 367572861 BPPQKPVXODNZSB-RUZDIDTESA-N 362.426 2.953 0 50 FFAA Cc1ccc(-c2c(C#N)c(N)nc3c2CN(C(=O)C2CC2)CC3)c(F)c1 72133673 DPGPFAUUVIEPFM-UHFFFAOYSA-N 350.397 2.945 0 50 FFAA Cc1csc([C@@H](C)NC(=O)N2CCCN(C(=O)c3ccco3)CC2)n1 75976686 FRCJYRVACMCRAT-CYBMUJFWSA-N 362.455 2.663 0 50 FFAA CC(C)n1nccc1C(=O)N1CCOC[C@@H]1c1nnc(-c2cccs2)o1 285826400 AIKCXINNIHQZJM-CYBMUJFWSA-N 373.438 2.789 0 50 FFAA Cc1nc2c(c(NCc3ccsc3)n1)CCN(C[C@@H]1CCOC1)CC2 72476482 CIWJOCVKRNXEAO-INIZCTEOSA-N 358.511 2.896 0 50 FFAA Cc1nc(O)cc([C@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)n1 219373201 OAEPBRPTEAYWTO-ZDUSSCGKSA-N 352.394 2.581 0 50 FFAA C[C@@H](Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)[C@@H]1CCOC1 374347232 CHZRMXMPMMVDBF-HUUCEWRRSA-N 358.486 2.704 0 50 FFAA COc1ccc(-n2cnc3cc(C(=O)NC4CC4)ccc3c2=O)cc1Cl 36360469 UTYDDIYYICUQNB-UHFFFAOYSA-N 369.808 2.940 0 50 FFAA O=C(c1cnc2n(c1=O)CCS2)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 376075439 WRDQJXRRFZXUNN-OIISXLGYSA-N 367.474 2.757 0 50 FFAA CCOC1(C)CCN(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 455821626 LGXNWIVRPSNTAS-UHFFFAOYSA-N 358.435 2.652 0 50 FFAA Cc1cc(C(=O)N[C@@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)n(C)n1 263144330 WXDWSQIOXPAEIC-OAHLLOKOSA-N 356.209 2.765 0 50 FFAA CC(C)[C@H]1CN(CCc2cn[nH]c2)CCC(=O)N1Cc1ccc(F)cc1 71738585 BTHFAYSJZFBZLC-LJQANCHMSA-N 358.461 2.850 0 50 FFAA CCC[C@@H]1CN(C(=O)c2cc(OC)nc3ccccc23)C[C@H]1NC(C)=O 82115318 DEKNTAMSXQLMPN-RDTXWAMCSA-N 355.438 2.620 0 50 FFAA O=C(CCc1nc(-c2ccccc2F)no1)N1CCC[C@H](c2cc[nH]n2)C1 426496734 AANWEDHACVSSBI-ZDUSSCGKSA-N 369.400 2.938 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](OCc2ccccn2)C1 426512068 IDMPPNZLVMOQBW-KRWDZBQOSA-N 369.421 2.701 0 50 FFAA O=S(=O)(C[C@@H]1CCOC1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 178911080 FPOQBWNGOXSPBD-KGLIPLIRSA-N 370.540 2.568 0 50 FFAA CCS(=O)(=O)CCNC(=O)c1ccc(-c2cccc([C@@H](C)O)c2)cc1 426488026 OCCWAOXERCAMIL-CQSZACIVSA-N 361.463 2.571 0 50 FFAA COc1ccc(F)cc1[C@H](NC(=O)c1ncoc1C1CC1)[C@H]1C[C@@H](O)C1 223161710 KOHZWXRTIXENAH-AXAPSJFSSA-N 360.385 2.942 0 50 FFAA NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ncccc2C(F)(F)F)cc1 426445435 DEOZRKBMFYPZFY-AWEZNQCLSA-N 363.339 2.857 0 50 FFAA COc1ccnc(-c2ccc(C(=O)NCCn3nc(C)c(C)c3C)cc2)n1 426711974 CITVTTQJNFSNMY-UHFFFAOYSA-N 365.437 2.704 0 50 FFAA O=S(=O)(Nc1ccccc1-c1cc(F)c(F)c(F)c1)N1CCOCC1 163918133 JPMZLYQTXLZQGS-UHFFFAOYSA-N 372.368 2.760 0 50 FFAA Cc1cccc(CC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 95364037 GWLYEMOFMRGINY-IBGZPJMESA-N 354.498 2.702 0 50 FFAA Cc1cc(-n2cnnc2)ncc1-c1ccccc1S(=O)(=O)NC(C)(C)C 96151196 ROFQNOZQGVPWII-UHFFFAOYSA-N 371.466 2.715 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2cc3c(n(C)c2=O)CCCC3)n1 91693857 WBUJRWPFXADTNE-INIZCTEOSA-N 370.453 2.748 0 50 FFAA Cn1nc2cccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)c2n1 96180319 JKEHYGLTLRLOCI-OAHLLOKOSA-N 354.414 2.520 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCc1nc3ccc(F)cc3[nH]1)C2 91817814 PTRDDEGPASMFNC-ZDUSSCGKSA-N 369.396 2.621 0 50 FFAA Cc1c(C(=O)NC[C@@H]2CCOc3ccccc3C2)sc2nc[nH]c(=O)c12 97323921 OKZNWCFWYGKXDM-GFCCVEGCSA-N 369.446 2.664 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2OC)C1 91593176 HRFDSPMWBSTRNH-AWEZNQCLSA-N 373.453 2.949 0 50 FFAA O=S1(=O)CCC(CN[C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 181759842 CGSXSBYGCMCSJX-HNNXBMFYSA-N 363.401 2.987 0 50 FFAA O=C(CN1CCC[C@@H](c2ccccc2)C1)NCC1(Cn2cccn2)CC1 95379100 LLVOYDUHWBJEMX-LJQANCHMSA-N 352.482 2.659 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)CC1 91893479 ASICFNDOVPQGTC-UHFFFAOYSA-N 368.412 2.903 0 50 FFAA Cc1ncncc1C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91664354 UPTMVHJJPOPJES-UHFFFAOYSA-N 356.470 2.572 0 50 FFAA NS(=O)(=O)c1ccc(F)c(C(=O)N(C/C=C/c2ccccc2)C2CC2)c1 91808170 INWIZVUEYGSBFV-QPJJXVBHSA-N 374.437 2.791 0 50 FFAA Cn1ncc2cc(NC(=O)NCC3(N4CCOCC4)CCCCC3)ccc21 95501988 JRUJKORBPAILBD-UHFFFAOYSA-N 371.485 2.730 0 50 FFAA CCn1c(CN2CCOc3ccc(Cl)cc3C2)nnc1[C@H]1C[C@@H](N)C1 244748810 OOTCHTWGXKELRW-JNSHFYNHSA-N 361.877 2.551 0 50 FFAA CCn1nc(C)c(NC(=O)CN2CCC[C@H]2c2nc(C(C)C)no2)c1C 244874740 XGKKGJABVFVQLJ-AWEZNQCLSA-N 360.462 2.802 0 50 FFAA COCCn1ccc2c(NC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)cccc21 253408762 LAWIVYFMYBBJHM-OAHLLOKOSA-N 357.454 2.731 0 50 FFAA O=C(O)CN(Cc1ccccc1)C(=O)C[C@H]1Sc2ccccc2NC1=O 299741800 GEKLDZHCQYWCME-MRXNPFEDSA-N 370.430 2.603 0 50 FFAA Cc1ncn(CCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)c1C 252485683 HBQZMAQZZRQASU-IBGZPJMESA-N 358.461 2.982 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)NCCCNc1cccnc1 534577263 RXCIFRRDEGRPQD-UHFFFAOYSA-N 358.446 2.766 0 50 FFAA CN1C[C@@]2(CCN(C(=O)Nc3ccccc3Oc3cccnc3)C2)OC1=O 299765259 DIFQCHOKXDBDNR-LJQANCHMSA-N 368.393 2.932 0 50 FFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)NCC(C)(C)N1CCOCC1 299778110 GJNKXYHSMASZGJ-UHFFFAOYSA-N 371.485 2.628 0 50 FFAA COC(=O)c1cc2ccccc2cc1OC[C@@H]1C[N@]1Cc1cnn(C)c1 1875385365 ROLFYLLPXPWVQX-SBUREZEXSA-N 351.406 2.623 0 50 FFAA COC[C@@H]1CCOCCN1C(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 1875302425 QABMLQRFTQPWSZ-AWEZNQCLSA-N 360.376 2.649 0 50 FFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NC1CCN(CC2CCCCC2)CC1 1875398751 DGMMBRAAARWIEB-HMXCVIKNSA-N 360.546 2.657 0 50 FFAA O=C(Cc1cc2ccccc2nc1O)NCc1ccc2nsnc2c1 1875348994 JQARJRJELFGLEW-UHFFFAOYSA-N 350.403 2.804 0 50 FFAA FC(F)(F)c1[nH]cnc1-c1noc(Cc2cnn(-c3ccccc3)n2)n1 1875313661 WENVONHGTGBGNE-UHFFFAOYSA-N 361.287 2.650 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)c1ccns1)[C@@H]1C[C@@H]2CCC[C@@H]21 1875406603 ICLASHPBGVUCHJ-OSLXHZNNSA-N 359.495 2.689 0 50 FFAA O=C(NCc1nnc(C2CC2)s1)c1cnc(C2CCOCC2)s1 1875294402 QXNJJJXIYSTVJH-UHFFFAOYSA-N 350.469 2.696 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1CC2(CCNCC2)CO1 877332145 ZRWJKJVIUJUDNE-QGZVFWFLSA-N 371.506 2.628 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)C(C)(C)NC(=O)c3cccs3)cc2[nH]1 952966415 WMTNJKPPPDBDFC-JTQLQIEISA-N 372.450 2.825 0 50 FFAA Cc1ncnc(N2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1C 952971206 HSFNWRDSLWOMCL-UHFFFAOYSA-N 363.421 2.711 0 50 FFAA CC(C)c1cc(C(=O)NCC[C@H]2CCN(Cc3ccccc3)C2)nc(N)n1 952868164 CFNSJRNQOZPYSK-KRWDZBQOSA-N 367.497 2.824 0 50 FFAA C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C)[C@@H]1COc2ccccc21 888101313 IMGVAZUCXDIQFQ-WJNVRWDZSA-N 358.360 2.912 0 50 FFAA O=C(c1cnc(C(=O)N2C[C@H]3CCC[C@H]2C3)cn1)N1C[C@H]2CCC[C@H]1C2 890308865 YTNGNYRSGDRKHR-VGWMRTNUSA-N 354.454 2.506 0 50 FFAA O=C(c1cnn2cc[nH]c12)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 1565516544 LLNQGUSPAGAFGE-MJGOQNOKSA-N 360.417 2.806 0 50 FFAA O=C(CCOc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565525479 KVKAWGCCUZVGMM-UXHICEINSA-N 365.477 2.974 0 50 FFAA O=C(c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1)c1cccc(O)c1 186682753 ULLWGKCKMYXBQO-SFHVURJKSA-N 350.418 2.543 0 50 FFAA Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccc(O)cc2)c1Cl 170610507 BTIRFNQWLBHAEX-UHFFFAOYSA-N 355.799 2.877 0 50 FFAA C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1[C@H]2CC[C@H]1CC(O)C2 225421517 SVSQMVZNRLIESA-CSMHCCOUSA-N 364.314 2.697 0 50 FFAA O=C(O)[C@H]1CN(CCC(F)(F)C(F)F)C[C@@H]1c1ccc2c(c1)OCO2 222271763 UQAMKSZQDCEMNL-MNOVXSKESA-N 363.307 2.806 0 50 FFAA CCCCCc1nc(CCc2c(C)nn(C)c2C)n(-c2cnn(C)c2)n1 1772815168 XPLIFCNPUMDNSY-UHFFFAOYSA-N 355.490 2.869 0 50 FFAA CCCCn1c(CN2CCCCO2)cnc1S(=O)(=O)CC1CCC1 12444714 CIDSDLQIZFHOLM-UHFFFAOYSA-N 355.504 2.784 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1NS(=O)(=O)c1ccccc1 13679689 XUDXYAZFLOZRFS-MRXNPFEDSA-N 374.462 2.705 0 50 FFAA O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCCCC1 16490283 JJEMMMDIOJTDQV-UHFFFAOYSA-N 374.462 2.879 0 50 FFAA Cc1ccccc1CN1CCN(Cc2cccc3nonc23)C[C@@H]1CCO 19229561 FJPFFSQFZAYHAI-IBGZPJMESA-N 366.465 2.600 0 50 FFAA Fc1cc(F)cc(-c2cn(C[C@H]3CCCN(Cc4ncc[nH]4)C3)nn2)c1 19837331 QNCSHFYTZGASKW-ZDUSSCGKSA-N 358.396 2.859 0 50 FFAA COc1ccc(N2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)cn1 1857670752 GFDDFNRBDBJABM-UHFFFAOYSA-N 361.829 2.795 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)C1(Nc2ccccc2)CCCC1 1857735084 GZYGCXOXAHLZBJ-UFYCRDLUSA-N 369.509 2.779 0 50 FFAA Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C(F)(F)F)nc2n1 12421728 YVUYITRYPSYUCL-UHFFFAOYSA-N 368.407 2.906 0 50 FFAA CCC(=O)N[C@@H](C)C(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1 1875252441 YNPUKRLPELAHFK-LBPRGKRZSA-N 372.387 2.990 0 50 FFAA c1ccc(Cn2ccc(CNc3nccc(N[C@H]4CCCOC4)n3)n2)cc1 804714288 JAHOCVHABORBPO-SFHVURJKSA-N 364.453 2.924 0 50 FFAA Cc1ccc(C)c(Oc2ccc(CNC(=O)C[C@@H]3CCC(=O)N3)cn2)c1 822144392 DLAMDJZYACIXIK-INIZCTEOSA-N 353.422 2.776 0 50 FFAA Cn1cnc2nc(N3CCCN(c4nc5ccccc5s4)CC3)ncc21 2100541086 VFNMRJXAZURMNG-UHFFFAOYSA-N 365.466 2.690 0 50 FFAA Cc1ccc(-c2cccc(NC(=O)c3cnc(N4CCNCC4)o3)n2)cc1 2325801649 QNTJQQPXGXEEKN-UHFFFAOYSA-N 363.421 2.707 0 50 FFAA CN(C)c1nc2ccc(NC(=O)c3cccnc3C3CCNCC3)cc2[nH]1 2325808218 GITABCGJQJJDTQ-UHFFFAOYSA-N 364.453 2.743 0 50 FFAA CC(C)C(=O)NC[C@@H](C)CN=c1[nH]c2cc(Br)ccc2o1 2325867283 QFECNHGXVGNBPS-SNVBAGLBSA-N 354.248 2.832 0 50 FFAA C[C@@H](CNC(=O)Cc1ccc2cccnc2c1)CNC(=O)CC1CCC1 2325867679 CBFFESWCCUPUCY-OAHLLOKOSA-N 353.466 2.836 0 50 FFAA CC(C)CCC(=O)NCC[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325868981 SWRCDZHEIANOHW-AWEZNQCLSA-N 358.442 2.797 0 50 FFAA COCCCNC(=S)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 2855601 ZWGZWNOTJBYQFS-SNVBAGLBSA-N 356.513 2.982 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cccc3nccnc23)C1=O 2356170286 YEYYAGMURBANEZ-FQEVSTJZSA-N 352.438 2.635 0 50 FFAA CS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1 6268617 YWFKWHFIOLVJLK-UHFFFAOYSA-N 364.492 2.721 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3ccon3)C2)cc1OC 20205355 XJXZEXYMFBUUGH-SFHVURJKSA-N 359.470 2.831 0 50 FFAA COc1cc(CNCCNC(=O)c2cccnc2)ccc1OCC=C(C)C 55119556 OOPGDCBCVIYMBD-UHFFFAOYSA-N 369.465 2.955 0 50 FFAA CSc1ccc2cc(CN3CCC[C@H](CCC(N)=O)C3)c(=O)[nH]c2c1 67955631 HGCSIZTXOPXRHF-CYBMUJFWSA-N 359.495 2.728 0 50 FFAA Cc1ncc(C)c(N2CCN(Cc3ccc(-n4cccn4)cc3C)CC2)n1 65385072 VIOUQMLBSLIRTK-UHFFFAOYSA-N 362.481 2.910 0 50 FFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCCN(Cc2ccccc2)CC1 229690034 LNHXHPCRHXFMAO-AZUAARDMSA-N 360.498 2.695 0 50 FFAA Cc1ccc(-c2cc(CNC(=O)c3ccc(Cn4cnnn4)cc3)no2)cc1 65404247 AVNXNZWVLQDASI-UHFFFAOYSA-N 374.404 2.615 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 1506431760 YCIHHYCPHNORLT-NSHDSACASA-N 361.847 2.532 0 50 FFAA CN(Cc1cnc2cnccn12)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328655408 YIYOUPBLJRATAM-LBPRGKRZSA-N 364.375 2.639 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCO1 328622619 IOHHRVGYBZADJL-AAEUAGOBSA-N 360.487 3.154 0 50 FFAA CCc1cc(C(=O)OC)c(NC(=S)NCc2cnn(C)c2C)s1 5985061 HJAXTOILSNLUDK-UHFFFAOYSA-N 352.485 2.626 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 332868920 NBACYXYFAFWOOM-MJWYBRSISA-N 360.454 2.993 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N3CCC4(CCCO4)CC3)cc2s1 72145839 AIJQKCSNIBZJKB-UHFFFAOYSA-N 352.481 2.938 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1cccc(-n2cccn2)c1 77303384 FQKLHIIBAUOMOL-UHFFFAOYSA-N 370.522 2.962 0 50 FFAA Cn1cc(Cl)c(C(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)n1 77453803 OTZSNPHETIEBHZ-KRWDZBQOSA-N 361.873 2.919 0 50 FFAA CCOc1ccccc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 285222692 KBPKNCKFCXQCPD-HNAYVOBHSA-N 356.470 2.632 0 50 FFAA O=C(c1cnccn1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72428619 QEHZLHHMXDWERY-UHFFFAOYSA-N 351.328 2.619 0 50 FFAA COc1ccccc1N1CC[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)C1 156924954 NLOBAOABWCKWHQ-INIZCTEOSA-N 365.433 2.589 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](N2CCC(CO)CC2)C1 72144783 PRAZZWIAMVCMFD-MRXNPFEDSA-N 366.889 2.658 0 50 FFAA CC(C)N1C[C@H](C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)CC1=O 77521521 KOGWSGYBCYUGPT-CQSZACIVSA-N 364.873 2.967 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@@H]3CCCCN3C)c12 72453604 ZWJFEQXJFQCLRW-HNNXBMFYSA-N 351.458 2.630 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71753981 ALNWNBFAWXWIEC-HNNXBMFYSA-N 353.401 2.748 0 50 FFAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77285663 NGEFLHWAORGCDZ-INIZCTEOSA-N 360.377 2.985 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)NCCc1nc2c(s1)CCCC2 219754809 RTAKCJMYGVYJCD-UHFFFAOYSA-N 369.490 2.727 0 50 FFAA O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@@]2(CCCOC2)C1 286400726 PEFCJCXRPYDCJJ-FQEVSTJZSA-N 360.454 2.815 0 50 FFAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1[nH]nc(C2CC2)c1Br 286946511 FIPIUIHHCDZXOE-ZYHUDNBSSA-N 367.291 2.748 0 50 FFAA OCCOc1ccccc1CN1CCN([C@H]2CCc3ccccc3C2)CC1 72410632 GJIOWSDSWMNLIN-QFIPXVFZSA-N 366.505 2.733 0 50 FFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCc1ccccc1Cl 222430936 IPEHXXSDRDYVOP-OFQRWUPVSA-N 367.902 2.682 0 50 FFAA COCCN1C[C@@H](Cc2nc(-c3ccccc3)nc3c2CCC3)CC1=O 222885638 BMXCJHLCBVXFMQ-HNNXBMFYSA-N 351.450 2.670 0 50 FFAA Cc1nccn1CC(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 82120408 QVZDFIKAVRTBLU-IBGZPJMESA-N 363.465 2.843 0 50 FFAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2nc(=NC)cc(C)[nH]2)cc1 426478061 SFNGHAAFXBBKPZ-GOSISDBHSA-N 368.481 2.947 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2=O)cc1 82107202 SBIWZRXQSHAPDK-INIZCTEOSA-N 362.433 2.781 0 50 FFAA COc1cc(Cl)cc(CN2CCC[C@H](N3CCOCC3)C2)c1OC 19836387 WJOVMQDZDLPOSA-INIZCTEOSA-N 354.878 2.654 0 50 FFAA O=C(N[C@H]1CCCN(c2ccccc2)C1)N1CCCN(CC(F)F)CC1 162214140 LKSJLGXWILFUDV-INIZCTEOSA-N 366.456 2.638 0 50 FFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3ccc(C(F)(F)F)nc3)C2)n1 426421019 BSZNIZHTVNJTTB-CYBMUJFWSA-N 368.359 2.761 0 50 FFAA NCc1nnc(SC[C@H](O)C2CC2)n1-c1cccc(C(F)(F)F)c1 426382912 KXWGWNCQCWMFKI-LBPRGKRZSA-N 358.389 2.608 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)c1cc(Cl)ccc1OCCN 426444845 CFEIDAJEHFIWKS-UHFFFAOYSA-N 363.845 2.817 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC(c3noc(C)n3)CC2)c1 97522682 HUVAOJVYGJHRST-UHFFFAOYSA-N 353.426 2.952 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)cc1 95366529 QXZPJNQEMHINKR-GOSISDBHSA-N 356.466 2.629 0 50 FFAA COc1cc(-c2cccc(C(=O)N[C@H]3CC[C@@H](N)C3)c2)cc(OC)c1OC 426474189 GYFXXQLEYIEITO-SJORKVTESA-N 370.449 2.989 0 50 FFAA O=C(O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 91625260 GBRCTYPHANKAKM-VQIMIIECSA-N 365.433 2.516 0 50 FFAA CN1CCC[C@H](CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)C1 95510428 DAHHSLYWMNYHLE-KRWDZBQOSA-N 356.514 2.667 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2c(=O)[nH]c3ccccc32)no1 95507011 XVZOOFQNUDLYKR-INIZCTEOSA-N 354.410 2.805 0 50 FFAA COc1cccc(-c2cc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)[nH]n2)c1 91536698 HPZYBZRFSHKUSW-UHFFFAOYSA-N 374.404 2.800 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)c3cc(=O)c4cccc(F)c4[nH]3)CC2)n1 97334300 PGFARRYHQGLSJZ-UHFFFAOYSA-N 368.412 2.691 0 50 FFAA O=C(C1CCC1)N1CCC(C(=O)N2CCCC[C@@H]2CCn2cccn2)CC1 91664341 YRABKZLEBRGQBP-LJQANCHMSA-N 372.513 2.693 0 50 FFAA CN(C)CCN1CC2(CCC1=O)CCN(c1ncccc1Cl)CC2 95378746 YWAOYVIKLSFMGR-UHFFFAOYSA-N 350.894 2.506 0 50 FFAA O=C(Cn1ccc2ccccc21)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91381327 SCWMOWYAFMJAPS-ZWKOTPCHSA-N 351.450 2.501 0 50 FFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3CC3)C2)c(OC)c1 95515377 IEAWQTNRKURRJB-HNNXBMFYSA-N 374.481 2.749 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)c2cccc(Cn3cccn3)c2)no1 91536817 DNJSFONCQBYWLV-UHFFFAOYSA-N 353.426 2.753 0 50 FFAA O=C1Cc2cc(NC(=O)N3CCCN(Cc4cccs4)CC3)ccc2N1 95527920 OCLXSNUKTPTTPQ-UHFFFAOYSA-N 370.478 2.983 0 50 FFAA COCCCN1CC[C@H](CNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)C1 96149034 QHIGGBHQVOYXHQ-OAHLLOKOSA-N 373.457 2.525 0 50 FFAA COc1ccc2cc([C@H]3CN(C(=O)Nc4cn(C)nn4)CCO3)ccc2c1 97499537 UGFFTRHVIQANLB-QGZVFWFLSA-N 367.409 2.582 0 50 FFAA CN(CC(=O)NCc1ccccc1F)Cc1cc(-c2ccccn2)no1 244899399 ZJDHATPSUYYTGC-UHFFFAOYSA-N 354.385 2.624 0 50 FFAA O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)N1CCOc2cc(O)ccc2C1 297393833 FRDFVJHACDWYQN-AEFFLSMTSA-N 369.421 2.612 0 50 FFAA COCCc1noc([C@@H]2CCCCN2Cc2cn3ccc(C)cc3n2)n1 243901176 AZDPTBUHKAFVTL-INIZCTEOSA-N 355.442 2.942 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244633659 GHCIKPJUXRPCIY-KHYOSLBOSA-N 370.474 2.722 0 50 FFAA O=C(Cc1c[nH]c2cc(Cl)ccc12)NC1(c2ncon2)CCOCC1 184052603 YVDDCRSBOLNJER-UHFFFAOYSA-N 360.801 2.569 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1nc2ccccc2nc1O 253535032 FDXZLBFOXQCDDR-RWSFTLGLSA-N 355.419 2.639 0 50 FFAA C[C@@H](NC(=O)N(C)Cc1nnc(-c2ccccc2)o1)C1CCN(C)CC1 534659591 OPXICOADNRWHDR-CQSZACIVSA-N 357.458 2.608 0 50 FFAA C[C@H](CN1CCOCC1)NC(=O)N(C)Cc1cnc(-c2ccccc2)s1 534672992 AORSFLMKSULYFX-OAHLLOKOSA-N 374.510 2.672 0 50 FFAA O=C1N[C@@](Cc2ccccc2Cl)(C2CCNCC2)C(=O)N1CC1CC1 299777459 DOIRGLWFCCCLDE-IBGZPJMESA-N 361.873 2.583 0 50 FFAA Cc1nc(CCNC(=O)Nc2ccc3c(c2)ncn3C)nc2c1CCCC2 299788969 UTNUNCYZTKMOCY-UHFFFAOYSA-N 364.453 2.915 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN(C2Cc3ccccc3C2)CC1 299796904 PAWZOPSNGUDAAN-UHFFFAOYSA-N 355.507 2.696 0 50 FFAA CCCn1cnnc1CNS(=O)(=O)c1cc(Cl)c(C)cc1OCC 670449171 FGMIGODYRGFBAQ-UHFFFAOYSA-N 372.878 2.527 0 50 FFAA COc1ccc(-c2nnc(N3CC[C@@H](OCc4cccnc4)C3)o2)cc1 1875307488 NLWHGQKSDBTNAD-QGZVFWFLSA-N 352.394 2.936 0 50 FFAA Cc1ccccc1[C@H](OC[C@@H](O)Cn1cncc(F)c1=O)c1ccccc1 1875309545 BVEWWOBBMJVIIO-FXAWDEMLSA-N 368.408 2.858 0 50 FFAA Cc1ccccc1CC[C@H](C(=O)N[C@H](C)[C@H](O)C(=O)O)c1ccccc1 1875311155 ORTQPRQKVTXEOV-MNEFBYGVSA-N 355.434 2.662 0 50 FFAA C/C(=C\C(=O)N1CCC[C@@](O)(Cc2nc(C)no2)C1)c1ccccc1C 886096528 LEPUGKVLWYIWCC-WLEBTQASSA-N 355.438 2.686 0 50 FFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3nc4c(s3)CCC4)C2)ccn1 886059658 PMCSPRZAACBWGE-INIZCTEOSA-N 358.511 2.742 0 50 FFAA Cc1noc(CCCN(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n1 275532006 QSDQCRHSRGWJRH-GJZGRUSLSA-N 367.494 2.620 0 50 FFAA Cc1oc2ccccc2c1CN[C@H]1CCCN(c2nccn(C)c2=O)C1 275655399 URHWZTCQOVRVKA-HNNXBMFYSA-N 352.438 2.594 0 50 FFAA C[C@H](c1ccccn1)N(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 171242553 ZFSHWQQIMQAUBW-LLVKDONJSA-N 368.842 2.888 0 50 FFAA COc1cc2nc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)nc(N)c2cc1OC 301831909 SZYPLYBIDDVONG-GTTSAUCSSA-N 356.426 2.599 0 50 FFAA O=C(c1ccoc1)N1CCC(Nc2cc(N3CCCCC3)ncn2)CC1 110127349 CHISKUKPDOGASN-UHFFFAOYSA-N 355.442 2.777 0 50 FFAA Cc1ccc(C(=O)C2CCN(C(=O)COCc3cc(C)no3)CC2)cc1 225752624 NAYXURVIWAGASM-UHFFFAOYSA-N 356.422 2.930 0 50 FFAA COc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cn1 195456431 YXCQTWZFKJKBMB-HNNXBMFYSA-N 368.842 2.506 0 50 FFAA CCNC(=O)c1ccc(NCCc2nc(C)cc(C(F)(F)F)n2)nc1 1529180567 KJWXIKZDISODLD-UHFFFAOYSA-N 353.348 2.603 0 50 FFAA CC(C)c1noc(CN2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)n1 1704297186 KSXBXWKGLFGQNY-QAPCUYQASA-N 352.438 2.777 0 50 FFAA CC(C)c1nnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)s1 222224453 QLIBOFCQJSWBFV-YPMHNXCESA-N 363.512 2.745 0 50 FFAA Nc1ncccc1CNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772805213 JSTYYIDFHXTQIK-CYBMUJFWSA-N 365.462 2.604 0 50 FFAA O=C1CCN(Cc2ccc3c(c2)CCO3)CCN1Cc1cccc(F)c1 11881240 VAVNPIGDUFWGMU-UHFFFAOYSA-N 354.425 2.995 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCCN(CC3CCCCC3)C2)c1C 12210232 FFARCHCYLZUOAQ-IBGZPJMESA-N 374.529 2.863 0 50 FFAA O=C(CCC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC1CC1 12315448 LNSBEFSYKPERKZ-NTCAYCPXSA-N 362.495 2.758 0 50 FFAA COCC1CCN(C(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)CC1 12764184 CYLDUICOPUWUNE-UHFFFAOYSA-N 366.824 2.618 0 50 FFAA COc1ncccc1C(=O)N1CCC[C@](CO)(CCOc2ccccc2)C1 15062305 OOYQRZRREZLINO-NRFANRHFSA-N 370.449 2.774 0 50 FFAA CC(C)OCCCNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 16625847 SCDGEXXRENVYIS-UHFFFAOYSA-N 350.434 2.609 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857708347 PGQSECQNHFTOJB-FQEVSTJZSA-N 361.445 2.608 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cccc(OC(F)(F)F)c1 1857708595 BUZHHBCSDNEEDM-OFQRWUPVSA-N 370.371 2.567 0 50 FFAA Cc1noc([C@H](C)NC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 330716944 DBXJHCZWKPNERJ-APPZFPTMSA-N 359.352 2.735 0 50 FFAA Cn1cnc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3O)c2)n1 436478328 POEWRERZDXRDTL-UHFFFAOYSA-N 364.814 2.642 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cnn4c3CCCC4)CC2)cc1 128105453 DBDQUYHBMXLVPM-UHFFFAOYSA-N 366.465 2.562 0 50 FFAA O=C(O)CN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 238157962 YSBSFTQUQLVNPH-LBPRGKRZSA-N 366.215 2.644 0 50 FFAA COc1cc2c(cc1OC)CCN(C(=O)[C@H](N)c1ccc(C)cc1)CC2 372977854 GGYWWCWBCLYPFW-HXUWFJFHSA-N 354.450 2.639 0 50 FFAA Cc1nc(C(=O)N2CCO[C@@H](c3nccs3)C2)c(Br)s1 408470522 WOUSCBJLNLHNIX-MRVPVSSYSA-N 374.285 2.884 0 50 FFAA Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 643438 PURLWFBURWHKBN-UHFFFAOYSA-N 359.856 2.853 0 50 FFAA Cc1c(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cnn1C 2100555290 PIDVRIXOCMJVQN-OAQYLSRUSA-N 352.482 2.886 0 50 FFAA CO[C@@H]1C[C@@H]2C[C@@H](C(=O)N3CCc4cc(CCC(=O)O)ccc4C3)C[C@@H]21 2325775340 XTGJVDITRQCTRD-ZSYWTGECSA-N 357.450 2.650 0 50 FFAA C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H](O)CC12CCN(C)CC2 2325810904 MTCXNSPDQJGJMF-ZBFHGGJFSA-N 350.890 2.576 0 50 FFAA Cn1nc(Cn2c(=O)n(C)c3cc(Br)ccc32)cc1Cl 2325819936 VIEHDSQPROOLAM-UHFFFAOYSA-N 355.623 2.538 0 50 FFAA O=S1(=O)C[C@H](CNCc2c[nH]nc2-c2ccccc2F)c2ccccc21 1474156465 AFPPSIFVUIYOQE-AWEZNQCLSA-N 371.437 2.877 0 50 FFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1Cl 1159672 WNPXKPYTTOPLGR-AWEZNQCLSA-N 354.790 2.548 0 50 FFAA C[C@@]1(O)CCOC2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)C1 2356139232 VFEJAFGHBREPKJ-QGZVFWFLSA-N 353.846 2.511 0 50 FFAA COc1ccc2[nH]nc(CN3CCC[C@@]34CCCN(C3CC3)C4=O)c2c1 2356151829 BRLUJJWRGHUGSG-FQEVSTJZSA-N 354.454 2.691 0 50 FFAA O=C(Cc1ccccc1)Nc1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 2835418 YCUXWFHVKAUACU-MRXNPFEDSA-N 364.401 2.643 0 50 FFAA COc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2903009 CQOVRBOOVYEODQ-UHFFFAOYSA-N 363.211 2.713 0 50 FFAA CCCN1CCC[C@@]2(CCCN2C(=O)c2c(F)cc(OC)cc2F)C1=O 2356164815 HYZKKCGUEKPWLF-LJQANCHMSA-N 366.408 2.981 0 50 FFAA COCCCn1cnnc1[C@@H](C)NCc1c[nH]nc1-c1ccc(F)cc1 55243923 NWVPVTZDKMVTEF-CYBMUJFWSA-N 358.421 2.695 0 50 FFAA O=C(C[C@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1)c1ccco1 119231165 YYRNEDWJKAYMSM-LBPRGKRZSA-N 372.402 2.824 0 50 FFAA CN(Cc1cccc(-c2nnn[nH]2)c1)C(=O)c1cc(-c2ccccc2)n[nH]1 67867728 UMZRZLQCWUHNDJ-UHFFFAOYSA-N 359.393 2.529 0 50 FFAA CCC[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O 97758816 VDGIZMNHDDBEBU-MRXNPFEDSA-N 368.412 2.608 0 50 FFAA in-vitro CCc1cn[nH]c1C1CCN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)CC1 67674518 XNHAVEYCHZSTSA-UHFFFAOYSA-N 368.412 2.973 0 50 FFAA Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(N3CCN(C)CC3)c12 23214288 KCYUPHBRQXPUQM-ZDUSSCGKSA-N 373.526 2.624 0 50 FFAA CSCc1noc(-c2nc3c([nH]2)C[C@@H](c2ccc(F)cc2)CNC3=O)n1 65434727 UAFOXQFHDNBYSY-SNVBAGLBSA-N 373.413 2.532 0 50 FFAA CC[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C[C@H]1O 252476823 CFHTYTCOKZILPA-ILVOLAIISA-N 356.304 2.950 0 50 FFAA O=C1CC[C@H](NCc2ccc(C(=O)N3CCCC3)cc2)CCN1CC1CC1 67675959 BJBVLPGKKZPNEP-FQEVSTJZSA-N 369.509 2.803 0 50 FFAA Cc1ccc(CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)o1 328629352 OSMQFXNAZWDPSW-OXJNMPFZSA-N 358.486 2.796 0 50 FFAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2csnn2)C1 11879807 OEODJGOFUYTXTK-IBGZPJMESA-N 373.478 2.956 0 50 FFAA Cn1c(O)nc2ccc(C(=O)Nc3cccc(CSCC(=O)O)c3)cc21 431660070 IFSHGDSRQVKXON-UHFFFAOYSA-N 371.418 2.849 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCC(O)(c2ccc(C)cn2)CC1 67881073 NBMNGKNRWYIJGC-UHFFFAOYSA-N 356.470 2.854 0 50 FFAA Cc1cc(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)n(C)n1 2743668 OEBWVQSKAXSFOH-UHFFFAOYSA-N 367.306 2.782 0 50 FFAA O=C(NCCCN1CCCc2ccccc21)c1ccc(-n2cnnc2)cc1 215579706 GQJYHPPOZUHRSX-UHFFFAOYSA-N 361.449 2.840 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 173693912 TWCNIRPXXQSGEQ-RDBSUJKOSA-N 351.237 2.820 0 50 FFAA Cn1ccnc1CC[C@@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 77408106 WCQMQMHWJRVGHB-SFHVURJKSA-N 354.502 2.798 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 330861505 SCONYSMOLRUHLR-AWEZNQCLSA-N 361.389 2.927 0 50 FFAA CN1CCC(CC(=O)N(C)c2ccc(OCCN3CCCC3)cc2)CC1 486661597 XSYIOHTVAPRHBG-UHFFFAOYSA-N 359.514 2.856 0 50 FFAA Cc1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1C(=O)N(C)C 156019846 LFOVHMSATBLNSR-UHFFFAOYSA-N 351.406 2.834 0 50 FFAA COCCn1cnnc1[C@@H](C)Nc1cc(-c2ccccc2)nc2ccnn12 72426623 NNEFHZJAZFMQNS-CQSZACIVSA-N 363.425 2.807 0 50 FFAA Cn1cnnc1C1CCN(c2cc(-c3ccccc3)nc3ccnn23)CC1 72144901 NBVVXHXBLAPVFV-UHFFFAOYSA-N 359.437 2.909 0 50 FFAA CN(C[C@@H](O)COc1ccccc1F)C1CCN(c2ccccn2)CC1 370191739 NJZSSQSIFRHHMH-QGZVFWFLSA-N 359.445 2.561 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 238020407 XEMVCXOZFZHOPJ-KBPBESRZSA-N 361.344 2.848 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 72436608 BIRYDSDBHFZMAB-MRXNPFEDSA-N 367.453 2.702 0 50 FFAA Cc1cccc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)Nc3ccc(C)nc3)C2)c1 71763385 JUJVWEZAMKNBGZ-ROUUACIJSA-N 367.449 2.860 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCCC(N)=O)CCCN1Cc1ccc(F)cc1 72126745 HMAVCBCWKILRCJ-GOSISDBHSA-N 363.477 2.540 0 50 FFAA Cc1cccc2c(CCC(=O)N3CCOC[C@@H]3[C@@H]3CCC[C@@H]3O)c[nH]c12 241124178 JGCWNIDXAHRUPK-OTWHNJEPSA-N 356.466 2.797 0 50 FFAA COc1cccc([C@@H](O)C(=O)N2CCCC[C@@H]2Cn2nc(C)cc2C)c1 378303705 HEGLFJLWEZLOQV-IEBWSBKVSA-N 357.454 2.623 0 50 FFAA CCNc1ncc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1 77489839 YZARYQMMVASNDC-OAHLLOKOSA-N 364.409 2.936 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N3CC[C@H](c4ccc(F)cc4)C3)cc2)n1 77427709 KAEHZMZSNPMHPZ-INIZCTEOSA-N 351.385 2.646 0 50 FFAA O=C(CCc1ccccc1F)N[C@@H]1COCC[C@@H]1OCc1cscn1 223366806 CROWWWOUVHCOAM-SJORKVTESA-N 364.442 2.705 0 50 FFAA O=C(NCCN1CCCOC1=O)c1cccc(CN2CCCCCC2)c1 426613677 SWGHXGYQMYTQCI-UHFFFAOYSA-N 359.470 2.635 0 50 FFAA O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 226087391 ADFGVFHGIGFRKP-SECBINFHSA-N 352.239 2.620 0 50 FFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(OC(F)F)c1 223211205 CDKVUOXBHAMVKB-INIZCTEOSA-N 354.397 2.661 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(C2CCCC2)C(=O)C1 223628180 CSBBNBWVCDGCJZ-GFCCVEGCSA-N 368.836 2.860 0 50 FFAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCc2[nH]nc(O)c2CC1 82156385 MUTMDRCWFUHPHZ-UHFFFAOYSA-N 373.416 2.671 0 50 FFAA CCOC(=O)C1=C(C(F)(F)F)Nc2nc(SC)nn2[C@@H]1c1ccoc1 20606472 GVFUPDAQQKOGNR-SECBINFHSA-N 374.344 2.987 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2ccc(-c3cnc(O)nc3)cc2)[nH]n1 426612876 PPIOBGPNWXMJEU-UHFFFAOYSA-N 351.410 2.800 0 50 FFAA Cc1ccc2nc(C3CCN(C(=O)CCc4ccnn4C)CC3)[nH]c2c1 426574734 MVWZQMVZZRUIRP-UHFFFAOYSA-N 351.454 2.944 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cccc(N4CCOC4=O)c3)C2)n1 96138988 KAXIUFYPEXMVJK-QGZVFWFLSA-N 369.425 2.935 0 50 FFAA O=C(NCc1noc(-c2ccccc2)n1)c1cccc(Cn2cccn2)c1 91536394 ZLCTXWBMDYNQPP-UHFFFAOYSA-N 359.389 2.911 0 50 FFAA CN(C)c1ccc(CC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)cc1 92001388 SYIWMDWNWBSFDK-FQEVSTJZSA-N 352.478 2.879 0 50 FFAA Cc1nc2ccc(C(=O)N3C[C@H](CO)[C@H](CN4CCCCC4)C3)cc2s1 91474890 ZXGXZMGWBMEYTL-IAGOWNOFSA-N 373.522 2.771 0 50 FFAA O=C(Cc1cccc(F)c1F)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91859259 FDZDRENCBKQFOK-HXUWFJFHSA-N 362.420 2.758 0 50 FFAA CC(C)CN1CC2(CCN(c3nccc(C(F)(F)F)n3)CC2)CC1=O 92022857 KJNPHFFHGKLFST-UHFFFAOYSA-N 356.392 2.970 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)Nc2ccc3ncsc3c2)on1 96150094 QELJUPDMQHRKCX-ABAIWWIYSA-N 358.423 2.972 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NCCCCc1ccccn1)CC(=O)N2 91931964 VJJWNMQKEFZBKK-QGZVFWFLSA-N 353.422 2.655 0 50 FFAA Fc1cccc2[nH]c(CN[C@H](CN3CCOCC3)c3ccccc3)nc12 182145355 PSLPBOWRTKSXCK-GOSISDBHSA-N 354.429 2.865 0 50 FFAA CC(=O)c1ccc(-c2cccc(C(=O)N(C)CCc3noc(C)n3)c2)nc1 534648376 AAYSKODSAGDWPM-UHFFFAOYSA-N 364.405 2.957 0 50 FFAA O=C(c1ccc(-c2cc(F)ccc2Cl)cc1)N1CCN(CCO)CC1 534639261 LFJTXUPCIUOXKW-UHFFFAOYSA-N 362.832 2.896 0 50 FFAA Cn1nc(-c2ccccn2)cc1NC(=O)[C@H]1CCCN(Cc2ccco2)C1 1940197039 NVYORRFASVFSRZ-HNNXBMFYSA-N 365.437 2.926 0 50 FFAA Cc1nc2cc(CC(=O)NCC3(N4CCOCC4)CCCCC3)ccc2[nH]1 299772525 AQCCLVZOIGBXHW-UHFFFAOYSA-N 370.497 2.565 0 50 FFAA COCCN(Cc1ccccc1C)C(=O)NCCn1nc(C)c(C)c1C 584892720 NOEROLIXROYCEP-UHFFFAOYSA-N 358.486 2.975 0 50 FFAA N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1nccnc1-c1nc2ccccc2s1 1875304710 RLCICLFQUHQSDO-OPDFLTKYSA-N 365.462 2.609 0 50 FFAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CC[C@@H]2C[C@H](C(=O)O)CC[C@@H]2C1 1875304714 RNYUJUGUACISHI-JHJVBQTASA-N 373.375 2.717 0 50 FFAA O=C(c1ncoc1C1CC1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952849163 ZOPVJFZMDCFXFK-KGLIPLIRSA-N 353.426 2.813 0 50 FFAA O=C(NC[C@]12CCCN[C@H]1C2)[C@H](c1ccccc1)n1cnc2ccccc21 1875276558 BOQQSUAAFVSUGN-JAXLGGSGSA-N 360.461 2.884 0 50 FFAA CC(=O)N1CC[C@@]2(CCCC[C@H]2NC(=O)c2cncc3c2CCCC3)C1 1875339048 UUSKHUWKZHFBPT-CTNGQTDRSA-N 355.482 2.871 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)N[C@H]3[C@@H](COC)[C@@H]4OCC[C@H]34)c2c1 1565512028 NZHILRJOWIAUEE-SJFSSXKUSA-N 354.450 2.885 0 50 FFAA CO[C@H](C(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 269932603 LQGZGHWXPOBBSP-NRFANRHFSA-N 367.493 2.935 0 50 FFAA Cn1cnc2cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)ccc21 270839307 HRWZTGMDXUOXKN-CQSZACIVSA-N 350.426 2.589 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cccc([C@H]4CCOC4)c3)CCO2)o1 275458030 TYVCHEKEGRKJLB-DLBZAZTESA-N 371.437 2.911 0 50 FFAA CC(C)OCCS(=O)(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 188342266 BALITWAMJZJXEM-CZUORRHYSA-N 361.891 2.857 0 50 FFAA COCc1nc(CN2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)no1 225398692 PUDJOIDCJPJJKT-ZWNOBZJWSA-N 357.332 2.543 0 50 FFAA O=C(C[C@H]1CCCOC1)Nc1cc(-c2ccc(Cl)cc2)nn1CCO 193107488 PYTDLAJSVSCDSK-CYBMUJFWSA-N 363.845 2.951 0 50 FFAA Cc1nnc(C(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)s1 193754240 GSBLJYOENQMBOG-JTQLQIEISA-N 352.485 2.814 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC[C@H]1CCO 1506428948 RJSAUGWSMXHZTM-ZDUSSCGKSA-N 361.891 2.973 0 50 FFAA O=C(O)[C@@H](c1cccc(-c2ccccc2)c1)N1CCOC2(CCNCC2)C1 1529100710 XELJQDBTHXZMJN-HXUWFJFHSA-N 366.461 2.934 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H](N)c2ccccc2)CC1 1704360429 YDGFRMLUGMBFGN-HXUWFJFHSA-N 366.461 2.786 0 50 FFAA CCNC(=O)c1ccc(NCC2(c3ccccc3)CCN(C)CC2)nc1 1704342379 AKQDFVHLNYJTIO-UHFFFAOYSA-N 352.482 2.907 0 50 FFAA C/C=C(\C)CN1C[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@]2(CN(C)C)C1 1772819982 ZIXKWZHDDSOEAQ-JAKGIBOWSA-N 370.541 2.600 0 50 FFAA O=C(c1ccccc1-n1cncn1)N1CCCN(C[C@@H]2CC=CCC2)CC1 1775979892 PEHFSWRTUIECFF-GOSISDBHSA-N 365.481 2.772 0 50 FFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1cc(Sc2ccc(F)cc2)nc(N)n1 1772701154 IMPRABQTUIARAC-YPMHNXCESA-N 373.457 2.549 0 50 FFAA CCOc1ccc(CC(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1 1772705163 PTIQGYBSJXYVAE-UHFFFAOYSA-N 354.450 2.733 0 50 FFAA Cc1cc(C)n(C[C@H](C)N2CCCN(C(=O)Cc3ccsc3)CC2)n1 1772805224 IEFWEFHMKYRUKI-KRWDZBQOSA-N 360.527 2.727 0 50 FFAA OCC1(CO)[C@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@H]21 1772811375 STWQWRSMRUADMP-KDURUIRLSA-N 373.880 2.952 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 11701067 IEHSTYIXPBBORP-NRFANRHFSA-N 370.449 2.670 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 11879114 VXNIUBZETKAOCL-CQSZACIVSA-N 350.409 2.758 0 50 FFAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 12138120 JQZKUSBDSAWSPP-QGZVFWFLSA-N 374.462 2.705 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)C1 12206621 UAGUTGLWMRRQQK-OAHLLOKOSA-N 371.437 2.690 0 50 FFAA CC(C)C(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12314330 MRRJDHCSMCVIDG-IBGZPJMESA-N 350.409 2.962 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)cc2)o1 1857669445 ACPUDCTYIJBGNX-OXJNMPFZSA-N 355.390 2.818 0 50 FFAA CC1(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C[C@@H]3C(=O)O)CC1 1857693849 PPCZZVXRILXUEE-MRXNPFEDSA-N 374.456 2.751 0 50 FFAA CC(=O)N1CCC[C@H]1C(=O)Nc1c(C)cnn1Cc1ccc(Cl)cc1 1875245905 DGXMQXSYGUEZGT-INIZCTEOSA-N 360.845 2.843 0 50 FFAA Cc1nn(C)c(=O)c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1C 333071649 OWGWADFAOLMPLQ-GXTWGEPZSA-N 366.248 2.990 0 50 FFAA COc1ccccc1/C=C/CN1CCCN(C(=O)c2ccncc2)CC1 128871494 ZNPZPPMRAPYDRN-QPJJXVBHSA-N 351.450 2.952 0 50 FFAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCc2ccccc2C1 14881661 ORCPTEWEHUVWGI-FQEVSTJZSA-N 364.401 2.688 0 50 FFAA C[C@H](O)C[C@@H]1COCCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 248619666 BYADIMSDVXTALB-COPLHBTASA-N 362.253 2.759 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 263061050 XGLQXTFNLFDJJB-AGIUHOORSA-N 351.365 2.599 0 50 FFAA O=C1O[C@H](CSc2n[nH]c(-c3cccnc3)n2)CN1c1ccccc1 163659089 FKYZWLYAOAZPFP-AWEZNQCLSA-N 353.407 2.984 0 50 FFAA CS(=O)(=O)N(Cc1nc(-c2cccs2)no1)c1ccc(F)cc1 4511472 ICHUMLBPODWRKV-UHFFFAOYSA-N 353.400 2.903 0 50 FFAA Cn1c(=O)c(C(=O)N2CC3(COc4ccccc4C3)C2)cc2ccccc21 2100473287 IZJCPXVONWJHKZ-UHFFFAOYSA-N 360.413 2.616 0 50 FFAA Cc1cc(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)CC2)nc(C)n1 2325858831 CBXVTFDSRUOYOD-UHFFFAOYSA-N 366.444 2.945 0 50 FFAA Cc1ccc2c(=NC[C@@H](C)N3CCN(c4ccccc4)CC3)[nH]cnc2c1 2325859908 PHZJYNHQXJVGPN-GOSISDBHSA-N 361.493 2.983 0 50 FFAA CC(C)C[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2CN(C)C)CC1 2325868341 WXLADQNQYMWATH-KRWDZBQOSA-N 359.514 2.715 0 50 FFAA CC[C@](C)(NC(=O)NCc1ccc(-n2cncn2)nc1)c1ccc(F)cc1 875062679 UWROWYOQCGROQY-IBGZPJMESA-N 368.416 2.926 0 50 FFAA O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 909565 VTRLQKGWRUUERL-UHFFFAOYSA-N 351.453 2.570 0 50 FFAA CN1Cc2nnc(CCc3ccc(O)cc3)n2[C@@H](Cc2ccccc2)C1=O 2356158658 UGSLWNMXWBXZLE-SFHVURJKSA-N 362.433 2.525 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356168420 CLXXAKDEWJXVRT-NRFANRHFSA-N 356.466 2.774 0 50 FFAA O=C(O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 4812138 XLRYNLAQFRRTLC-PRHODGIISA-N 355.272 2.970 0 50 FFAA COc1cccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c1 4840992 LCIFKIQLDCSUTF-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)C[C@H]2C=CS(=O)(=O)C2)c1C 55358846 LLPPQWFIONKNJW-CQSZACIVSA-N 359.451 2.630 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)no1 55196045 LSQMVOPQRBKSGY-GOSISDBHSA-N 372.444 2.549 0 50 FFAA O=C(CSc1nccc(O)n1)N1CCc2cc(Br)ccc21 10674397 PZQWWNQGDOFFRF-UHFFFAOYSA-N 366.240 2.626 0 50 FFAA C[C@H](CC(=O)NCc1cccnc1N1CCN(C)CC1)c1ccccc1 67821509 ZIJJXODHPPZKBY-QGZVFWFLSA-N 352.482 2.643 0 50 FFAA O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC12CCNCC2 136851038 WKECOZNGAWMZPO-LBPRGKRZSA-N 357.435 2.867 0 50 FFAA C[C@@H]1CCCCN1C1CN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 67954267 LPTILFVNRTZZBR-MRXNPFEDSA-N 363.509 2.852 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2cc(COc3ccccc3)[nH]n2)C1 67880765 QFIIPSGMDAQHAD-INIZCTEOSA-N 356.470 2.793 0 50 FFAA Cc1cnccc1N1CCCN(CCn2c(=O)oc3ccccc32)CC1 67641686 YOCDATWCBQYSBM-UHFFFAOYSA-N 352.438 2.510 0 50 FFAA Cc1cccc(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2CCNC3)n1 67690558 JDFAKVKBVLLJNT-OAHLLOKOSA-N 360.465 2.931 0 50 FFAA Cc1csc(SCC(=O)N2CCN(Cc3cccs3)CC2)n1 61339892 WIFVYYMVASFZFU-UHFFFAOYSA-N 353.538 2.950 0 50 FFAA C[C@H](O)c1cn(CC2CCN(Cc3nc4c(s3)CCCC4)CC2)nn1 20537180 NQSAJNJSESOFHN-ZDUSSCGKSA-N 361.515 2.579 0 50 FFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(C(C)C)[nH]n1 409414301 PABBOYZUJGTPMC-LPHOPBHVSA-N 362.518 2.886 0 50 FFAA C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 331568337 PQHQRYNTCZNGLV-KBXCAEBGSA-N 374.462 2.660 0 50 FFAA COc1cccc(O[C@H](C)C(=O)N2Cc3cnc(CC(C)C)nc3C2)c1 67490698 AZJTZSWHLPDBFK-CQSZACIVSA-N 355.438 2.993 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nc(C)cc3c2C(=O)OC3)cc1 1446037 WSQGDTAYNWSLQJ-UHFFFAOYSA-N 356.403 2.994 0 50 FFAA Cc1noc([C@H](Nc2ncncc2Br)C2CCOCC2)n1 328609696 FOGZQQNMESSTEC-LLVKDONJSA-N 354.208 2.510 0 50 FFAA Cc1ccc2cccc(OCCNS(=O)(=O)NCc3ccccc3)c2n1 72143901 TXRYEZQRULFWDI-UHFFFAOYSA-N 371.462 2.546 0 50 FFAA Cc1cc(C)n2ncc(CN(Cc3ccccn3)C[C@@H]3CCCO3)c2n1 215228088 TVVCEFAPWQPJRR-IBGZPJMESA-N 351.454 2.922 0 50 FFAA CCN1Cc2nc(OC)c(CN[C@H](C)Cc3ccc(F)cc3)cc2C1=O 71774877 YKCIHQPXMLRPRD-CYBMUJFWSA-N 357.429 2.926 0 50 FFAA O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-n2cnnc2)nc1 71615213 RWLKZVRAEWXVHS-UHFFFAOYSA-N 372.432 2.952 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)Cc1cn2ccsc2n1 77488426 HGQHASLZTKEIPW-UHFFFAOYSA-N 351.435 2.783 0 50 FFAA O=C(O)CN(C(=O)c1cnc(-c2cccs2)s1)C1CCOCC1 238114883 PWLYMQLJAKJWNQ-UHFFFAOYSA-N 352.437 2.577 0 50 FFAA COc1nc(C)c(C(=O)N2CCN(c3ccccc3OC)C[C@H]2C)s1 72422946 GAAVEWXNIJHFBG-GFCCVEGCSA-N 361.467 2.820 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccc(F)cn2)C1 72432835 OVOKXEJEIJIJMR-OAHLLOKOSA-N 358.465 2.719 0 50 FFAA O=C1CCSc2ccc(S(=O)(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)cc2N1 77322752 UYGZAORDTFTMJW-UBHSHLNASA-N 366.508 2.978 0 50 FFAA C[C@H](OC[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 241693959 QJDFIIGAOOTSSW-WBQNTZJQSA-N 363.841 2.730 0 50 FFAA Cn1ccn2ncc(C(=O)N(Cc3cnn(-c4ccccc4)c3)C3CC3)c12 215221608 QJYUPZJTPNVZQS-UHFFFAOYSA-N 360.421 2.663 0 50 FFAA O=C(c1n[nH]cc1Cl)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71753770 WWNDIGPSASRLOA-BMGDILEWSA-N 356.857 2.766 0 50 FFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccncc2)CC1 73024739 CLGSQKXTVHAZIS-UHFFFAOYSA-N 350.466 2.640 0 50 FFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@]2(CCCOC2)C1 286521989 XNRLGEZOECPKFP-SFHVURJKSA-N 353.846 2.905 0 50 FFAA CC[C@H](NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccncc1 175933897 LAVVJCZHDHCWPP-HNNXBMFYSA-N 367.413 2.647 0 50 FFAA O=C(NCCc1nc2c(s1)CCCC2)c1ccccc1N1CCOCC1 223370992 IBLLUHOHNLROCI-UHFFFAOYSA-N 371.506 2.831 0 50 FFAA COCC(=O)N1CCCN(C(=O)C[C@@H](c2ccccc2)c2ccco2)CC1 222923913 ZUXOYDCGSMZOES-SFHVURJKSA-N 370.449 2.509 0 50 FFAA Cc1c(-c2cc(C(=O)N3CC(OCc4ccccc4F)C3)no2)cnn1C 426667747 ZNYXXJXEHAEHBM-UHFFFAOYSA-N 370.384 2.564 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)ccn1 92080759 ZESRSKHXJMEUHW-FQEVSTJZSA-N 351.450 2.823 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)s1 91625783 PJOUNANXDALTEQ-UHFFFAOYSA-N 370.540 2.858 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)C1 426719787 CRAWWRAZYBXCDW-INIZCTEOSA-N 362.433 2.828 0 50 FFAA COCCCN(Cc1ccc(F)cc1)C(=O)NC[C@]1(C)CCN(C)C1 426503189 LXLMPSJNAKVIAU-IBGZPJMESA-N 351.466 2.716 0 50 FFAA Cc1ncsc1C(=O)N1CCC[C@H](c2nccn2CCCN(C)C)C1 95531726 HIDCUCQYWJXXDC-HNNXBMFYSA-N 361.515 2.620 0 50 FFAA Cc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4cccn4C)n[nH]3)C2)cc1 91585816 GAIREWWIUYFZBE-MRXNPFEDSA-N 363.465 2.980 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)cc1 91707792 XCICATBMCQUHRB-IBGZPJMESA-N 371.525 2.604 0 50 FFAA CCOc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1OC 96027669 RANSWRUYQJQNQX-SFHVURJKSA-N 359.466 2.974 0 50 FFAA CC1CCN(C(=O)c2cccc([C@H](C(=O)O)N3CCSCC3)c2)CC1 95362249 FMCXXXDNFJHLHD-QGZVFWFLSA-N 362.495 2.733 0 50 FFAA O=C(O)[C@@H](c1ccc(Cl)c(F)c1)N1CCN(Cc2ccccn2)CC1 95383103 MLFWOEVTMLFYQT-QGZVFWFLSA-N 363.820 2.818 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)c1C 91846515 HVHJRXSONWFVEG-OAHLLOKOSA-N 371.412 2.931 0 50 FFAA O=C(NCCCn1ncc2ccccc21)[C@@H](c1cccnc1)N1CCCC1 95364444 JQGLNGFWRQLUEL-HXUWFJFHSA-N 363.465 2.775 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCCCn1ncc3ccccc31)C2 91474749 AUPQXOJSEZFEGA-KRWDZBQOSA-N 365.433 2.803 0 50 FFAA CNC[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2Br)C(C)C)C1 299738461 BAJXCKZDQACSBF-XJKSGUPXSA-N 369.303 2.920 0 50 FFAA COCCN(Cc1ccncc1)C(=O)NCc1nn(C)c2ccc(C)cc12 534654459 FBMVBPIUWUFFSN-UHFFFAOYSA-N 367.453 2.635 0 50 FFAA Cc1nc(CNC(=O)c2ccc(-c3nc(N(C)C)ns3)cc2)cs1 534653756 YGNSDZWOWXLGPQ-UHFFFAOYSA-N 359.480 2.966 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccc(=O)n(C)n3)cc2)no1 534655926 UOYMXAHNTCHUNB-GOSISDBHSA-N 364.405 2.721 0 50 FFAA O=C(O)[C@@H](c1c[nH]c2ccccc12)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 263585530 JSDQWUZHRZGSJD-ARGWCVDVSA-N 363.417 2.575 0 50 FFAA biogenic CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc(=O)c4c3)cc2)C1 534583440 DLOXZLRAWAKJFH-GOSISDBHSA-N 361.445 2.971 0 50 FFAA Cc1ccc(CNc2ncnc3sc(C(=O)N[C@@H](C)CO)c(C)c23)o1 299787230 UBCJHUUYDSPXCZ-VIFPVBQESA-N 360.439 2.624 0 50 FFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)CCc1n[nH]c2c1CCCC2 827887379 DFTXJDFXGWYPHM-UHFFFAOYSA-N 365.437 2.930 0 50 FFAA Cc1ccc([C@@H](NC(=O)CN(C)C2CCNCC2)c2cccnc2)cc1C 827825745 INLHNKSNFNXRCY-JOCHJYFZSA-N 366.509 2.588 0 50 FFAA CCCN1CC[C@H](NC(=O)N2CCC(N(C)Cc3ccccc3)CC2)C1 584891509 GMSVZFPJHWUFBT-IBGZPJMESA-N 358.530 2.777 0 50 FFAA O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)N1CCCCCC1 670459166 ZKUKHGHSUXRESF-UHFFFAOYSA-N 370.862 2.600 0 50 FFAA C[C@H](N=c1[nH]c(Cl)nc2c1COCC2)c1cccc(-n2ccnc2)c1 1875295379 WEGYUVNOYZIJKT-LBPRGKRZSA-N 355.829 2.983 0 50 FFAA CC(C)c1ccc(-c2noc(CN3C[C@@H](N)[C@H](c4nccn4C)C3)n2)cc1 1875291296 UOHLREVMTHNMOB-IAGOWNOFSA-N 366.469 2.520 0 50 FFAA CCC(=O)N[C@@H](C(=O)N1CCC2(CCCCN2C)CC1)c1ccccc1 1875320829 MLBRWATWOFENLK-LJQANCHMSA-N 357.498 2.731 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1Cc1cnc2ccnn2c1 1875398816 FUACXTJBVCDHTM-RDJZCZTQSA-N 367.457 2.581 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)O)CN(C(=O)c1n[nH]c3c(C)cccc13)C2 1875300954 XJQPVQKWYMRNFY-MRXNPFEDSA-N 365.389 2.704 0 50 FFAA Cc1ccc([C@@H]2CCC[C@H]2NC(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)cc1 1875330637 WDLXAQZWHDURIX-YMWHHDFNSA-N 370.493 2.821 0 50 FFAA Cc1cn(C)cc1C(=O)NC1CC2(CCN(C(=O)[C@H]3CC34CC4)CC2)C1 1875407725 GQMFPQZJHNCBKK-QGZVFWFLSA-N 355.482 2.635 0 50 FFAA C[C@H](c1ccccn1)N(C)Cc1ccccc1OCCN1CCN(C)CC1 952977425 IBWPJUWRNVZALX-LJQANCHMSA-N 368.525 2.901 0 50 FFAA CN1CCN(C(=O)c2ccccc2N2CCOCC2)[C@@H](c2ccccc2)C1 952971055 BZEIOOJGBSRQLD-OAQYLSRUSA-N 365.477 2.652 0 50 FFAA COc1nc2c(cc1C(=O)Nc1ccc3nc([C@H](C)O)[nH]c3c1)CCC2 952988990 RFSORFAGPCLDJZ-JTQLQIEISA-N 352.394 2.761 0 50 FFAA CCN(C)c1ccnc(C[C@@H]2CC[C@H](CN(C)Cc3cccnc3)O2)n1 952854445 QPTKNFPKIWQJBV-ZWKOTPCHSA-N 355.486 2.550 0 50 FFAA CCCNc1ncc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccncc2)C3)cn1 1565511743 DGRGDZUZTPQZKB-QUCCMNQESA-N 366.513 2.790 0 50 FFAA O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)C1CCNCC1 166803178 ZLFDDIJUEWREDH-UHFFFAOYSA-N 361.449 2.550 0 50 FFAA Fc1ccc(-n2ccc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)n2)cc1 278133061 RFTDDZKBOSGWOQ-DOTOQJQBSA-N 369.400 2.987 0 50 FFAA CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cnc(-c3ccccn3)s2)C1 170782754 BMDXVSYKSZLKJP-AWEZNQCLSA-N 372.494 2.830 0 50 FFAA O=C(CSc1ccccc1)NCCS(=O)(=O)CCc1ccccc1 225721350 FRXOOOILDKCWOO-UHFFFAOYSA-N 363.504 2.552 0 50 FFAA CCC1=NO[C@@H](CN2CCC(CNC(=O)c3ccc(C)nc3C)CC2)C1 1506396704 MSVPJAOKSLVFMP-GOSISDBHSA-N 358.486 2.695 0 50 FFAA CN(CC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1)Cc1ccncc1 1529191218 UXJPCTIIHLQHAJ-LEWJYISDSA-N 365.477 2.892 0 50 FFAA Cc1ncc(CN(CCO)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)[nH]1 1704314840 VUMKVTKDQGIWSH-ZDUSSCGKSA-N 365.861 2.777 0 50 FFAA Cc1ccc(-n2cc(CN(CCN(C)C)Cc3[nH]cnc3C)cn2)cc1 1704312616 GRBYBAMHFCYEIS-UHFFFAOYSA-N 352.486 2.776 0 50 FFAA O=C(O)c1c(N2CCC[C@@H](C(=O)N3CCCC3)C2)noc1-c1ccccc1 1704324704 DHRMHGNZTKQZAZ-OAHLLOKOSA-N 369.421 2.879 0 50 FFAA CC1=C(CN2C[C@@H]3CN(c4nncs4)C[C@]3(CO)C2)C(C)(C)CCC1 1772809549 ADBKETCUXAESST-BEFAXECRSA-N 362.543 2.795 0 50 FFAA COCCCNCc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 11839819 NHHWSMPAQHYFTA-NRFANRHFSA-N 372.509 2.684 0 50 FFAA CC(C)(C)c1cc(CNC(=O)c2cn(Cc3ccccc3Cl)nn2)n[nH]1 11936610 CAGTWVBMDCHNQX-UHFFFAOYSA-N 372.860 2.930 0 50 FFAA CC(=O)N1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 12379407 AOOXCSFGLOCEER-UHFFFAOYSA-N 355.221 2.764 0 50 FFAA CCCC(=O)N1CCC(N2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 12453896 CUIMMPIUAAGGGK-IBGZPJMESA-N 371.525 2.806 0 50 FFAA Cc1c(C(=O)N2CCC(C)CC2)sc2ncnc(N3CCN(C)CC3)c12 15004664 KGZGZVRYZDKNHD-UHFFFAOYSA-N 373.526 2.624 0 50 FFAA COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3C(=O)OC)c(C)o2)cc1 15062874 JZKBVTJFOPZZOC-KRWDZBQOSA-N 372.421 2.964 0 50 FFAA CCOCCCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 16661463 PXTNALJFBVOFPW-UHFFFAOYSA-N 357.435 2.579 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)c1 169749875 LHVAJDJYZIWHNG-UHFFFAOYSA-N 364.449 2.970 0 50 FFAA CCNCCNC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 151397645 UGCRQTQBEVXUFS-UHFFFAOYSA-N 352.438 2.561 0 50 FFAA Cc1cc(C)c(-c2nccn2C[C@@H]2CN(C)CCO2)c(-n2cccn2)c1 1857671247 QKGSXDMWMQMHJL-KRWDZBQOSA-N 351.454 2.683 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCc1nc[nH]n1 1857698478 SYHAUWQWZJABSU-NSHDSACASA-N 374.832 2.522 0 50 FFAA NC1(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)CCCC1 1857708493 WYXMLIRYFTXEII-QZTJIDSGSA-N 358.482 2.532 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@H]2n2ccnc2-c2ccccn2)C3)cc1 1857731692 XJCLNNNFVRVMJJ-JRSYVHTFSA-N 371.488 2.685 0 50 FFAA Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 451116982 TXGLNEGXGQTBQL-CQSZACIVSA-N 367.280 2.973 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CO[C@@H](Cn4cccn4)C3)cc2)c1C 2325784947 VSPSYGYTOYEFKM-VQIMIIECSA-N 365.437 2.729 0 50 FFAA Cc1cnc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3c2cc(C)ncn2)c(C)c1 2325888599 JNPBKFFQWXOOEA-ALOPSCKCSA-N 351.454 2.727 0 50 FFAA COc1cccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)c1 994675 ASLORPBHRAMESC-UHFFFAOYSA-N 363.417 2.887 0 50 FFAA COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 1136551 AYEUGGOZRYHVDC-UHFFFAOYSA-N 368.842 2.851 0 50 FFAA C[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1165940 CDFKODQOSCJQFR-OAHLLOKOSA-N 350.418 2.810 0 50 FFAA Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nnc3ccccn23)C1 246973274 GVQNYYVFIZNUCL-MSOLQXFVSA-N 366.465 2.657 0 50 FFAA CCCC[C@@H](CC)CNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 3896554 QEMQMEWLXMZGGM-CYBMUJFWSA-N 365.499 2.864 0 50 FFAA O=C(CSC1=NCCS1)N1CCN(c2ccc(Cl)cc2)CC1 4074960 MGGYSCKBYIMSHT-UHFFFAOYSA-N 355.916 2.825 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1 4502527 VGVOXHHLUCBXGX-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 4949292 SQLOAQQQSDSNIJ-KLRLCVKSSA-N 369.782 2.667 0 50 FFAA CCN(C(=O)c1cccc(NC(=O)CN2CCOC2=O)c1)c1ccccc1 55308822 RBGAFEUCVHYJAR-UHFFFAOYSA-N 367.405 2.744 0 50 FFAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 55422036 YCKCEKOJIRBQSJ-IBGZPJMESA-N 368.433 2.733 0 50 FFAA COc1ccccc1C(=O)N1CCCN(C(=O)Cc2ccsc2)CC1 55708087 KREMPAHHDPMWAK-UHFFFAOYSA-N 358.463 2.674 0 50 FFAA CCOC(=O)CCc1c(C)[nH]c2c(-c3ccc(F)cc3)c(C)nn2c1=O 9133955 PONXUMDPQQKVTG-UHFFFAOYSA-N 357.385 2.941 0 50 FFAA O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)s1)c1cccs1 9426457 RKUFYZZABSFVNO-UHFFFAOYSA-N 365.461 2.826 0 50 FFAA CCCCCc1nnc(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1 57838823 UYCIGBSGCYEYBJ-UHFFFAOYSA-N 371.466 2.928 0 50 FFAA CN1CCC[C@@H](CN(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 115636451 HTLVZEQQOUEHPA-LJQANCHMSA-N 358.530 2.634 0 50 FFAA COc1ccc(OCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20654086 AIBYEPWDFLVRNB-UHFFFAOYSA-N 354.450 2.809 0 50 FFAA Cc1ccccc1CN1CCN(C2CCN(C(C)C)CC2)[C@@H](CCO)C1 23374220 DTYQVTCVSUIALQ-QFIPXVFZSA-N 359.558 2.736 0 50 FFAA CCn1c([C@H]2CCCN(Cc3[nH]c4ccc(F)cc4c3C)C2)n[nH]c1=O 67966087 PPJRAPNBQGSMSJ-ZDUSSCGKSA-N 357.433 2.900 0 50 FFAA CC(C)C[C@H]1CN(C(=O)C2CCN(C3CCOCC3)CC2)CC[C@@]1(C)O 67818207 GUZRPTROAHWFKQ-GHTZIAJQSA-N 366.546 2.523 0 50 FFAA COc1ccc(CCN(C)[C@@H]2CCCN(Cc3nccn3C)C2)cc1OC 20778646 XYVIJZXPRPOOHL-GOSISDBHSA-N 372.513 2.576 0 50 FFAA COc1cc2c(cc1CN1CCC(n3cc([C@@H](C)O)nn3)CC1)CCC2 23159577 CBSVVKPAPPCKOX-CQSZACIVSA-N 356.470 2.666 0 50 FFAA Cc1c(CNC(=O)NCc2ccnc(O[C@H](C)CC(C)C)c2)cnn1C 119214470 WXXRTPIRVBQOPH-CQSZACIVSA-N 359.474 2.936 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccccc3F)nc(C)n2)n1 65362036 LILJWUYRVOHPTK-UHFFFAOYSA-N 368.416 2.569 0 50 FFAA Cc1ccc(-n2nc(C)cc2NS(=O)(=O)/C=C/c2ccccc2)nn1 127289182 IOVUHKQGSHZTTE-ZHACJKMWSA-N 355.423 2.692 0 50 FFAA Cc1oc(Br)cc1C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 331596395 LFEULDHSQITEHM-PWSUYJOCSA-N 356.216 2.561 0 50 FFAA COCCN1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2nccn2C)C1 65459000 JVSQLXDDIKTZLE-QGZVFWFLSA-N 365.481 2.919 0 50 FFAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1ccc(=O)[nH]c1 67947941 VISHPWDRRDPFTP-UHFFFAOYSA-N 357.316 2.770 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2nnsc2Cl)n1C 328642915 REHXUBFTDNMCPE-GFCCVEGCSA-N 353.879 2.617 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(=O)[nH]1 129762069 JCSNMMCJJAGJIS-QGZVFWFLSA-N 367.449 2.882 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)CCn2nc(C)c(C(C)=O)c2C)C1 77505272 OUCPIQFYGJENNY-QGZVFWFLSA-N 371.485 2.784 0 50 FFAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 332915085 RVCLQXLUPBKYIZ-FZMZJTMJSA-N 371.462 2.751 0 50 FFAA Cc1ncsc1CCCNC(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc12 215413870 LRFFQUDNIMRRTR-NSHDSACASA-N 356.451 2.541 0 50 FFAA CCN(CCn1cccn1)Cc1cc2ccccc2nc1N1CCOCC1 215656168 FNNFERRBKBDJIR-UHFFFAOYSA-N 365.481 2.790 0 50 FFAA CCN(Cc1c(C)nn(CC)c1C)C(=O)c1cc(-c2cnn(C)c2C)no1 13641857 INMSUQIXBQFCRG-UHFFFAOYSA-N 370.457 2.879 0 50 FFAA CCc1nc(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)ncc1C 72476485 IBUMPQAEIOLMGF-FQEVSTJZSA-N 360.502 2.593 0 50 FFAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 131007626 GFUPAFMFFKZMEX-AEFFLSMTSA-N 364.449 2.583 0 50 FFAA O=C(CC[C@H]1CCOC1)N1CCN(CCOc2ccccc2Cl)CC1 176608155 KKKDNRPCQSKOBK-INIZCTEOSA-N 366.889 2.680 0 50 FFAA Cc1cc(NC(=O)N2CCC[C@H]2[C@H]2CCCO2)ccc1S(C)(=O)=O 498583073 IHJRWAOUZSDQMK-LSDHHAIUSA-N 352.456 2.574 0 50 FFAA CC(C)C1CCC(NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 177734742 GWMBCLOMOQQDDV-HLIUYOAVSA-N 367.515 2.909 0 50 FFAA CCCN(CCOC)C(=O)c1ccc(-c2ncc(F)c(N(C)C)n2)cc1 426549224 WTWONZZWXPYJAJ-UHFFFAOYSA-N 360.433 2.847 0 50 FFAA O=C(O)[C@H]1[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H]2C=C[C@H]1C2 225658309 BPSFGVUEBIZPAP-MGBSGCIJSA-N 360.841 2.512 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCCC[C@@H]1CCn1cccn1 82106722 CDRDSJQWZCNSSK-QGZVFWFLSA-N 350.426 2.549 0 50 FFAA Cc1ccc(SCCNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cc1 46024886 WXOPASVRDXYGDU-INIZCTEOSA-N 369.490 2.647 0 50 FFAA O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](Cn2cc(CO)nn2)C1 20860841 UIZQNGOZSUSBOC-CQSZACIVSA-N 374.510 2.653 0 50 FFAA CC(C)Cn1c(CN2CCC[C@@H](CS(C)(=O)=O)C2)nc2ccccc21 97742926 GWPWLIYJPFCCAF-MRXNPFEDSA-N 363.527 2.949 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 91951277 RKRAPFRFLVKBCQ-MRXNPFEDSA-N 370.501 2.765 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1cnn(-c2ccccc2)c1)c1ccccc1F 95376339 CAFNACSVPZFJEW-HXUWFJFHSA-N 366.440 2.973 0 50 FFAA COc1ccc2c(c1)cc(C(=O)NCCc1nc(C)c(C(=O)O)s1)n2C 95516366 BTGHRGLRXXSUDG-UHFFFAOYSA-N 373.434 2.623 0 50 FFAA CCc1nc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)no1 92077862 VSCPOEAOWXERIA-LJQANCHMSA-N 357.410 2.732 0 50 FFAA CC[C@@H](O)Cn1nc(-c2c[nH]c3ccccc23)nc1CN1CCCCC1=O 96166900 PIFZQXQJYHBTQQ-CQSZACIVSA-N 367.453 2.710 0 50 FFAA Cc1ccccc1[C@]1(O)CCN(C(=O)Cn2ccnc2-c2ccccc2)C1 91381866 VBNSJBVYHHQTDH-QFIPXVFZSA-N 361.445 2.979 0 50 FFAA CCSc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)cn1 91636281 UTPOIQZAOMGPTF-DOTOQJQBSA-N 372.542 2.717 0 50 FFAA Cc1nn(C)c(C)c1NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 95518939 POXNHDPIGPIIRW-ZDUSSCGKSA-N 356.348 2.911 0 50 FFAA Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239433758 YKLKQIKUUSJQGC-JLZSVDHQSA-N 365.429 2.652 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2csc(C(C)=O)c2)C1 95530097 PMHUKVMTAWHZAJ-AWEZNQCLSA-N 361.467 2.813 0 50 FFAA COCC(=O)N1CCC(C(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 95365292 CJAFBMUOGMXRDY-HXUWFJFHSA-N 372.509 2.885 0 50 FFAA Nc1nc(C(=O)N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)cs1 244633733 GIPSGVPBBFXHSI-GHJWDPDVSA-N 354.435 2.516 0 50 FFAA Cc1cccnc1NC(=O)CCN(C)CCc1nc2cc(F)ccc2[nH]1 244724138 MOIFSMYMVACVFM-UHFFFAOYSA-N 355.417 2.909 0 50 FFAA COc1cccc([C@H]2[C@H](C(=O)Nc3ccncc3)CC(=O)N2C2CC2)c1 183209959 KHTATHVJZDYKJN-MJGOQNOKSA-N 351.406 2.781 0 50 FFAA CNc1ccccc1C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 298579188 JLEQOAOJGHRQJK-UHFFFAOYSA-N 355.413 2.856 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2SCCc3ccccc32)c1 299750384 NHZZMWWDBCKXHH-GOSISDBHSA-N 357.431 2.797 0 50 FFAA COc1ccc2c(CC(=O)N3CCOCC4(CCOCC4)C3)coc2c1 185155487 BJLQFTWQVOPWDM-UHFFFAOYSA-N 359.422 2.640 0 50 FFAA C[C@H]1CN(CCNC(=O)CSc2ccccn2)Cc2ccccc2O1 299770193 QEOTXNMZFWAQSH-HNNXBMFYSA-N 357.479 2.573 0 50 FFAA CC(C)(C)c1cc(CNC(=O)Cc2cc3c(cc2Cl)OCCO3)[nH]n1 299775800 JXJAPQRZWUQWST-UHFFFAOYSA-N 363.845 2.991 0 50 FFAA Cc1cccc(=O)n1CCC(=O)Nc1ccccc1OC[C@H]1CCCO1 828075367 MNRCGJQLQSZUEU-MRXNPFEDSA-N 356.422 2.743 0 50 FFAA Cc1ccc([C@H](NC(=O)N2CCN(CCCO)CC2)c2cccs2)cc1 584892251 RGRUNZYIFZSCKC-IBGZPJMESA-N 373.522 2.856 0 50 FFAA CCCc1nccn1[C@@H]1CCCN(C(=O)c2cc(O)nc(C3CC3)n2)C1 1875300880 UUMSQWSWZKAXLW-CQSZACIVSA-N 355.442 2.686 0 50 FFAA C[C@@]1(c2ccc(C(=O)N3CCCC[C@@H]3CCn3ccnn3)cc2)CCO1 1875318037 BDJJJJBQFXRCKT-QUCCMNQESA-N 354.454 2.999 0 50 FFAA O=C(O)c1cnc([C@@H]2CCCN(C(=O)[C@@H]3[C@@H]4CCC(F)(F)[C@@H]43)C2)s1 1875311191 PLSXJGKJWGXLOO-DMWPJOQESA-N 356.394 2.839 0 50 FFAA CCn1nc(C(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)cc1C1CC1 1875395706 JLJQASDOFGUBGQ-BXKMTCNYSA-N 350.488 2.596 0 50 FFAA Cc1ccc(S(=O)(=O)NCCCN[C@@H]2CCN(c3ccccc3)C2)cc1 952970397 RPKBJMYMGYUDNB-GOSISDBHSA-N 373.522 2.532 0 50 FFAA O=C(c1cnc2ccccn2c1=O)N1CCCC[C@H]1CCc1ccccn1 952968554 KLNYPUJKPFYEMR-KRWDZBQOSA-N 362.433 2.717 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@H](c2cccc(F)c2)N(C)C)cc1 952965336 DTXPBAMLYRKXSQ-IBGZPJMESA-N 372.444 2.567 0 50 FFAA O=C(NC1(c2ccccc2)CCOCC1)c1ccccc1N1CCOCC1 952965468 PKVFCOCXNRBDRW-UHFFFAOYSA-N 366.461 2.959 0 50 FFAA Cc1cc2nc(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cc(C)n2n1 952972681 IVQOYPAARNMQOS-KRWDZBQOSA-N 365.437 2.563 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2NCc2cnn(-c3ccc(F)cc3)c2)cnn1C 886075676 UMHFWAMWUKKXEK-RBUKOAKNSA-N 355.417 2.673 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cnn(-c4ccccc4F)c3)C2)N1CC1CC1 1565514843 BMAROFZTSNTHIQ-MSOLQXFVSA-N 368.456 2.844 0 50 FFAA COc1cc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)nc(N)n1 1565508420 OFJRVGXAYMPDCV-SJORKVTESA-N 350.422 2.575 0 50 FFAA COCCn1cc(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cn1 186212839 MCZXJLAXBYJZMF-OAHLLOKOSA-N 368.359 2.766 0 50 FFAA Cc1cnc([C@@H](C)CNC(=O)Nc2ccncc2N2CCOCC2)s1 170609512 KYYKGYAJYASUMD-LBPRGKRZSA-N 361.471 2.608 0 50 FFAA CCC[C@@]1(COC)CCCN1c1ncnc2c1c(Br)nn2C 170615565 NCNDCPJNIMVSPK-HNNXBMFYSA-N 368.279 2.911 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)CCc2ccccc2F)CC1 186641127 YLNSLIZSQGVSNL-HNNXBMFYSA-N 364.461 2.792 0 50 FFAA C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2nc3c(s2)COCC3)C1 408402203 HBVULYYEIRYYRV-GTNSWQLSSA-N 353.488 2.915 0 50 FFAA O=C(Nc1ncccc1O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 192735328 VZSOHQAOTAVACO-IIFATDLDSA-N 369.465 2.933 0 50 FFAA O=C(CN1CCCCCC1)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529191879 HUKHEMJOVURMGJ-WIYYLYMNSA-N 367.493 2.785 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(-c4cc[nH]n4)o3)C1)CC2 1704324632 BWSYJDORHOFCKT-IBGZPJMESA-N 350.426 2.522 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN([C@H](C)COc2ccccc2)CC1 1775978725 CCODTJBDIBOMJK-MRXNPFEDSA-N 371.481 2.836 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 12075882 RTHPOVIMZCJHPW-SFHVURJKSA-N 354.381 2.559 0 50 FFAA CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1OC 13678034 DNANGZYJCGWRIE-UHFFFAOYSA-N 370.377 2.524 0 50 FFAA COc1ccc(N2CCN(C(=O)c3ccc([C@@H]4CCCO4)s3)CC2)cn1 1857675870 GOJPAWQZZJWMFC-HNNXBMFYSA-N 373.478 2.966 0 50 FFAA Cc1c(C(=O)N2CCN(c3ccc(F)cn3)[C@H](C)C2)[nH]c2c1C(=O)CCC2 1857681062 WPTNSDITITYFOB-GFCCVEGCSA-N 370.428 2.727 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc2c(c1)CCO2 1857685134 CRYBGLDWEDNMHQ-IRFCIJBXSA-N 364.445 2.566 0 50 FFAA CCCN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)NCc1noc(C)n1)C2 1857696013 IDPNJZLLZPXKDT-WAOWUJCRSA-N 368.481 2.870 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)C1 237949884 GAPBGPVVOFAQKP-LBPRGKRZSA-N 370.243 2.931 0 50 FFAA N=C(O)[C@H](c1ccc(Cl)cc1)N1CCN(CC2CCOCC2)CC1 332158559 YBUUPUQGFVLAHI-KRWDZBQOSA-N 351.878 2.961 0 50 FFAA O=C(NCc1nnc2n1CCCCC2)c1cnc2c(Cl)cccc2c1O 253419152 ANJHSTVBZFBXMC-UHFFFAOYSA-N 371.828 2.842 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 264756264 KLMQWDPCSWNUBQ-MISYRCLQSA-N 369.509 2.810 0 50 FFAA CCNC(=O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704345449 YMASDCBPCXBALL-OAQYLSRUSA-N 350.466 2.560 0 50 FFAA Cc1cccnc1C(=O)N1CC[C@H](CN=c2ccc(C(F)(F)F)c[nH]2)C1 2325786950 KFXHMCRTHVTHMP-CYBMUJFWSA-N 364.371 2.800 0 50 FFAA CCn1ncc2c1CC[C@H](NC(=O)Nc1ccc(Cn3ccnc3)cc1)C2 2325789741 JTIXIDQJMAHHGS-SFHVURJKSA-N 364.453 2.827 0 50 FFAA O=c1[nH]ccn2c(CN3c4ccccc4C[C@@H]3Cc3ccccc3)nnc12 2325839041 HEYFJNRAOHFOLN-KRWDZBQOSA-N 357.417 2.592 0 50 FFAA CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O 638576 FAJWGRWANGBFPA-QGZVFWFLSA-N 365.389 2.658 0 50 FFAA Cc1cc2ccccc2n2c(SCC(=O)NC[C@@H]3CCCO3)nnc12 1098159 YMYSSKBFHDSIOM-AWEZNQCLSA-N 356.451 2.578 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356136144 IDOHKZSSPXHURT-UHFFFAOYSA-N 372.428 2.773 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(C)ccc2F)C1=O 2356152714 XQEFZTCGFFLKJD-GOSISDBHSA-N 368.474 2.690 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1 2356169238 XNVKGGFMPJNDAE-HXUWFJFHSA-N 373.453 2.871 0 50 FFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 4760617 FURGPXPACJJGQX-HOTGVXAUSA-N 364.442 2.697 0 50 FFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(Br)cc3)ccc21 4858297 ORNARBHZDLHCCW-UHFFFAOYSA-N 360.211 2.892 0 50 FFAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2sccn2c1=O 6495301 HJCRZYBOUGTUJS-UHFFFAOYSA-N 355.297 2.907 0 50 FFAA NC(=O)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1 247777774 YGMXSAUKYCIHRM-HRCADAONSA-N 373.250 2.895 0 50 FFAA C[C@@H](C(=O)NCc1csc(N)n1)N1C(=O)c2cccc3cccc1c23 55225443 OZFAIXDFWVPWSX-JTQLQIEISA-N 352.419 2.544 0 50 FFAA O=C(CC(F)(F)F)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55154419 UJGGPRWJKZAAFB-INIZCTEOSA-N 373.394 2.891 0 50 FFAA Ic1ccc(CN2CCN3CCCC[C@H]3C2)cc1 249973236 AFMXXCIPBOMZAX-HNNXBMFYSA-N 356.251 2.961 0 50 FFAA CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1cccc2ccccc12 23153254 KJFSFOLOYMHUQK-LJQANCHMSA-N 367.493 2.693 0 50 FFAA Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1cccc2c1C(=O)NC2 119469052 NUGYAXLRFASZPL-UHFFFAOYSA-N 367.796 2.725 0 50 FFAA O=C(O)CNc1ccccc1C(=O)N1CCSC[C@@H]1c1cccnc1 65460847 GVIRREXDXVANBW-MRXNPFEDSA-N 357.435 2.508 0 50 FFAA O=c1[nH]c2cc(Cl)ccc2cc1CN1CCN(Cc2cccnc2)CC1 67677986 DQPJUQUOSJHEFI-UHFFFAOYSA-N 368.868 2.894 0 50 FFAA Cc1c(C(=O)NCC2(CN3CCN(C)CC3)CC2)n(C)c2c(C)cccc12 216440236 CUOLBLSIZQDALG-UHFFFAOYSA-N 368.525 2.553 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@H]1O 67804738 OFMJUPMCMWQPRS-RDTXWAMCSA-N 368.458 2.889 0 50 FFAA COc1ccc(Cl)cc1CN1CCC[C@H](N(CC(=O)O)C(C)=O)CC1 328603752 HBBQKRYWVFQSKW-INIZCTEOSA-N 368.861 2.636 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 2807839 OHXPKCGZGQOYOK-VIFPVBQESA-N 351.255 2.604 0 50 FFAA CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 363199333 ROJMQXCYXDRWHC-LJQANCHMSA-N 366.461 2.934 0 50 FFAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)Cc2noc3ccccc23)C1 363996804 FZGUEEQDJTVFII-AWEZNQCLSA-N 355.394 2.793 0 50 FFAA CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)C1(C)C 363965050 DNRVYABFCGUUEQ-HZSPNIEDSA-N 363.483 2.714 0 50 FFAA CCc1nc(C)c(C(=O)Nc2nn(C)c3cccc(N4CCOC4=O)c23)o1 72421262 KNEPDJZOCZEEAR-UHFFFAOYSA-N 369.381 2.641 0 50 FFAA Cc1ccc([C@H]2CCN(C(=O)[C@@](C)(O)Cn3c(C)cccc3=O)C2)c(C)c1 332349546 YYTCORHWUDOHFG-AVRDEDQJSA-N 368.477 2.541 0 50 FFAA O=C(N1CCS(=O)(=O)CC1)N(Cc1c(F)cccc1F)C1CCCC1 330339335 WNVSATMUKYVYFR-UHFFFAOYSA-N 372.437 2.560 0 50 FFAA Cc1cnn(CC2CCN(C(=O)c3ccccc3[C@@H]3CCNC3)CC2)c1 72152132 HFDCCIIDHFPXCG-GOSISDBHSA-N 352.482 2.821 0 50 FFAA Cc1ncoc1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@H]1CCCO1 333510297 FBTHBSANAUXXMF-CYBMUJFWSA-N 355.398 2.776 0 50 FFAA O=S1(=O)CC[C@]2(C[C@H](NC3CC(c4cc(F)cc(F)c4)C3)CCO2)C1 377550190 OFCBYBFPUPSJTC-JYXZGVCNSA-N 371.449 2.537 0 50 FFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2ocnc2C2CC2)n1C 377608166 QOZNTWAPWAKPHS-AWEZNQCLSA-N 356.426 2.618 0 50 FFAA CCC1(NC(=O)[C@@H]2CCCN(C3CCN(Cc4ccncc4)CC3)C2)CC1 71415697 ZLUJAQRJZXRDAI-LJQANCHMSA-N 370.541 2.817 0 50 FFAA Brc1cnn([C@@H]2CCCCO2)c1I 74937932 HOPMYZSOSLJDAT-ZETCQYMHSA-N 356.989 2.949 0 50 FFAA CCc1ccc(Cn2nnc(C(=O)NC[C@H](O)c3ccccc3)c2C)cc1 242183919 XDAKLNXIHQCQIB-IBGZPJMESA-N 364.449 2.661 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(Cl)cc1O 223673133 XHVHPIGERYDJLZ-UKRRQHHQSA-N 368.842 2.606 0 50 FFAA CCN(Cc1nnc(-c2ccccc2)o1)CN1C(=O)c2ccccc2C1=O 20045198 IWCLEMSCCNLHHO-UHFFFAOYSA-N 362.389 2.812 0 50 FFAA CCCc1nc(C(=O)N2CCN(c3ccccc3OC)C(=O)C2)cs1 82121685 LWUNYZNENFKPIF-UHFFFAOYSA-N 359.451 2.593 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)[C@@H]2CCCN2C2CCNCC2)CC1 85533002 HAQBFGMCXKIDBK-FQEVSTJZSA-N 371.525 2.581 0 50 FFAA CCCc1nc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)cs1 91965479 NGARIVXFLNUPDM-HNNXBMFYSA-N 351.516 2.813 0 50 FFAA COc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239121315 JSIHZHKCOSRVTO-AXCCWNJRSA-N 366.211 2.594 0 50 FFAA O=C(Cc1ccccc1Cl)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91616827 PLMXNEHPVAPVSI-QZTJIDSGSA-N 364.917 2.825 0 50 FFAA O=C(O)Cn1nc(-c2c[nH]c3ccccc23)nc1CCc1cc(Cl)no1 96180030 ONUJZCNUTDJRHZ-UHFFFAOYSA-N 371.784 2.938 0 50 FFAA Cn1cc(CN(C(=O)NCCN2CC[C@H](c3ccccc3)C2)C2CC2)cn1 426360117 IQUTYCNUMGOGKE-IBGZPJMESA-N 367.497 2.584 0 50 FFAA Cc1nc2c(NC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)cccn2n1 97805650 RPIXEVCLRNHGHN-INIZCTEOSA-N 366.425 2.646 0 50 FFAA O=C(N1CCNCC1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 95373995 XCRNBGVVXMSKHL-UHFFFAOYSA-N 363.505 2.652 0 50 FFAA CSc1cccc(CN(C)C(=O)c2ccc(N3CC(=O)NC3=O)cc2)c1 95375720 XOEZCQKSLAJWES-UHFFFAOYSA-N 369.446 2.737 0 50 FFAA O=C(O)CN(Cc1ccccc1)C(=O)c1cc(N2CCCC2=O)ccc1F 238151118 WXKFNCCQGXSWCL-UHFFFAOYSA-N 370.380 2.680 0 50 FFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(c3cc(N)nc(N)n3)CC2)C1 92028968 HDHYDIDCVYJVCQ-KRWDZBQOSA-N 366.513 2.737 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCC3(N(C)C)CCOCC3)c2c1 91769605 DNNHBHBMZXHWSY-UHFFFAOYSA-N 357.498 2.863 0 50 FFAA O=C(NCc1noc([C@@H]2CCCO2)n1)Nc1cccc2c1OC(F)(F)O2 97575071 SBHJSHYJKUPYDP-JTQLQIEISA-N 368.296 2.564 0 50 FFAA O=C(CCc1ccc(NC(=O)NCC2(O)CCCCC2)cc1)NC1CC1 95516903 IRIJNJNSBXEVCI-UHFFFAOYSA-N 359.470 2.715 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1ccc2cccc(F)c2n1 91444862 PQHAQJCLJDQBJA-UHFFFAOYSA-N 359.430 2.816 0 50 FFAA O=Cc1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 95742807 UXCRRVPQCKBHRH-UHFFFAOYSA-N 365.208 2.848 0 50 FFAA O=C1CC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1ccccn1 91461485 MJAKYRIAIIISIL-AWEZNQCLSA-N 374.404 2.914 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@H]3CCCCO3)CC2)cc1 95500671 LPCKWFDYKWAWCA-OAQYLSRUSA-N 374.525 2.977 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)CCc1cn3ccccc3n1)CC2 97766287 VXEUDMBJSZIZSD-UHFFFAOYSA-N 365.433 2.869 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCCN(C)c2ccccc2)c1C 96149860 VEUKWRZAZLWXLW-UHFFFAOYSA-N 370.453 2.838 0 50 FFAA CC(C)N1CCC[C@]2(CCN(C(=O)c3cnc4c(c3)CCCC4)C2)C1=O 91411261 NLXHYEDURJUOJC-OAQYLSRUSA-N 355.482 2.824 0 50 FFAA O=C(CCCN1Cc2ccccc2C1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244874397 XAPUDESCQVYZLJ-WOIUINJBSA-N 365.477 2.806 0 50 FFAA Cc1n[nH]c(C2CCN(CC(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)n1 252481957 CVYZFODWNNGVGD-LLVKDONJSA-N 374.514 2.513 0 50 FFAA Cc1nnc(SCC(=O)NCc2nc(C3CCCCC3)no2)s1 299796061 NGOPZMFXWBJDST-UHFFFAOYSA-N 353.473 2.686 0 50 FFAA Fc1ccc(N2CC[C@@H](NCCc3nc(-c4ccccn4)no3)C2)cc1 826588693 ZGGQQBFPIPZNCE-OAHLLOKOSA-N 353.401 2.682 0 50 FFAA COCCCn1cnnc1CNC(=O)c1cc(C)nc2c(Cl)cccc12 670470309 XZSBWICWGJHUSD-UHFFFAOYSA-N 373.844 2.755 0 50 FFAA NCc1ccccc1CCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 1875287242 AFUUGRVQGVNGNF-GOSISDBHSA-N 371.868 2.653 0 50 FFAA COc1ccc(Cc2nnnn2C[C@H](O)c2ccc(C)cc2C)cc1F 1875264027 MSDLFBIHKJMJIU-KRWDZBQOSA-N 356.401 2.762 0 50 FFAA Cc1nnc([C@H](C)N2CC[C@@](C)(NC(=O)c3nccc4[nH]ccc34)C2)s1 1875332440 RSIUYKHPXLHCIV-BBATYDOGSA-N 370.482 2.678 0 50 FFAA Cc1ccc(-n2cccc2)c(C(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c1 1875403257 RNCJXCWJIWFYAJ-YVWKXTFCSA-N 364.449 2.552 0 50 FFAA CCc1nccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)n1 952963501 KNHIDVDDROCFGD-UHFFFAOYSA-N 352.482 2.610 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCc2nc[nH]c2[C@H]1c1cccnc1 952966171 UJZQPPIZSAEBMR-LJQANCHMSA-N 370.359 2.636 0 50 FFAA CC(=O)N1C[C@@H](NCc2nc3ccccc3n2C)CC[C@@H]1C(F)(F)F 886036586 YSBWVGWPXCRCGN-SWLSCSKDSA-N 354.376 2.605 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCN[C@@H](c2ccccc2)C1 1239092841 BRTCOQZQLXXFGI-QGZVFWFLSA-N 360.479 2.647 0 50 FFAA Cc1cc(N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)nc(C(C)C)n1 1565511833 UHVGMXMRAUMQAZ-CVEARBPZSA-N 355.438 2.992 0 50 FFAA CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565508585 GUUGSPQLIWLPKS-QAPCUYQASA-N 356.466 2.948 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)CC2 277537809 YCOBTZNKKOVUFW-YJBOKZPZSA-N 371.458 2.760 0 50 FFAA COc1ccc(CC[C@@H](C)NC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 170611149 QJXGEOFZPKFVTL-AUUYWEPGSA-N 353.422 2.721 0 50 FFAA Cc1cnc2c(S(=O)(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)cccc2c1 408132184 IPNHRUJLPGIXFC-HOTGVXAUSA-N 362.495 2.961 0 50 FFAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)NCc1cccs1 222025695 ZOWOQVGUPXCHKV-IGDFAFLASA-N 363.479 2.627 0 50 FFAA O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1COCCN1C1CCCC1 188635528 FPHQLAWPFATXAX-AWEZNQCLSA-N 373.375 2.605 0 50 FFAA Cc1noc(Cl)c1CCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 195348936 QPDSDGGNUMVIAS-HNNXBMFYSA-N 361.829 2.659 0 50 FFAA Cc1noc(CN2CCCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)n1 1529120071 SFKSTSDMULVVNR-KRWDZBQOSA-N 354.454 2.532 0 50 FFAA Cc1oc2c(c1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1)C(=O)CCC2 1529145406 IVBHJUZNDWYHNP-YLJYHZDGSA-N 369.417 2.682 0 50 FFAA Cn1cncc1C(=O)N1CCCN(Cc2cc3ccccc3s2)CC1 1529158462 CTCNCURGWLYZMZ-UHFFFAOYSA-N 354.479 2.983 0 50 FFAA O[C@@H]1CCCN(c2ccnc(NCc3coc(-c4ccccc4)n3)n2)C1 1529168997 PROSTENCMHQGFW-MRXNPFEDSA-N 351.410 2.705 0 50 FFAA Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCc1sccc12 1704297915 YNCNGANIIBLUJN-UHFFFAOYSA-N 368.480 2.606 0 50 FFAA O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)c2nonc12 5060442 DMBOMLURYKOWQA-UHFFFAOYSA-N 357.345 2.843 0 50 FFAA COc1ccc(OCc2cc(C(=O)N(C)[C@H]3CCOC3)n[nH]2)c(Cl)c1 11820029 AQBVYHATCMJKFS-LBPRGKRZSA-N 365.817 2.512 0 50 FFAA COc1ccc2ccccc2c1CNC(=O)[C@H]1CCC(=O)N(C2CC2)C1 11841556 DZVWFXDNICUHPD-HNNXBMFYSA-N 352.434 2.866 0 50 FFAA COc1ccc(CN(C)Cc2nnc(SC)n2C[C@H]2CCCO2)cc1 12133994 DMHIWFKCYDEBHX-MRXNPFEDSA-N 362.499 2.820 0 50 FFAA C[C@@H](Oc1ccccc1)c1nnc(SCC(N)=O)n1-c1ccccc1 12384029 OXGPMKSGQAUXOK-CYBMUJFWSA-N 354.435 2.985 0 50 FFAA COc1ccc(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 12404252 NZRQISHFXOQNFC-IBGZPJMESA-N 368.433 2.785 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1=O 12457058 SCIYSCDUUVRTSD-GOSISDBHSA-N 354.853 2.940 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3F)C2)C1=O 14950230 CYTCFXOMJLSXLF-SFHVURJKSA-N 368.836 2.580 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1ccc(F)cc1 14962798 MDBPSJYBKPXWFR-HXUWFJFHSA-N 360.404 2.608 0 50 FFAA Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccccc3)ccc21 16625165 VBQWAOAKJAAZMB-UHFFFAOYSA-N 350.422 2.658 0 50 FFAA COc1cccc(C(=O)N2CCn3c2cc2ccccc2c3=O)c1OC 150366192 YZYBSAXVQNGHEI-UHFFFAOYSA-N 350.374 2.679 0 50 FFAA biogenic COc1ccc2cc(-c3nccn3[C@H]3CCCCNC3=O)c(O)nc2c1 1857703667 VQNFCQTWZFHOEH-INIZCTEOSA-N 352.394 2.654 0 50 FFAA CC(C)[C@H]1CN2C[C@@H](NC(=O)CCc3nc4ccccc4s3)C[C@H]2CO1 1857716383 JMMRXYKXJZRXSG-YQQAZPJKSA-N 373.522 2.843 0 50 FFAA C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 114714112 HFLNGBQDBVEZEJ-PMPSAXMXSA-N 357.454 2.691 0 50 FFAA Clc1cccc([C@@H]2CN(c3nccc(N[C@@H]4CCCOC4)n3)CCO2)c1 333211643 BQWUBAMKGOORCP-SJORKVTESA-N 374.872 3.299 0 50 FFAA Cc1nnc(S(=O)(=O)Cc2csc(C3CC3)n2)n1Cc1ccccc1 133652074 QZZAORAKJWOSPR-UHFFFAOYSA-N 374.491 2.943 0 50 FFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)ccc1F 248126448 VDVWEGSLHYHFQI-ZBFHGGJFSA-N 373.453 2.854 0 50 FFAA CN1CC[C@H](NC(=O)NC[C@@H]2CC[C@@H](O)C2)[C@@H]1c1ccc(Cl)c(F)c1 248991185 YICLIJAJJYKQCX-AQMVCYDESA-N 369.868 2.685 0 50 FFAA Cc1ccccc1C1(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CCCC1 368276440 JQPGJPUGUQPMHM-QGZVFWFLSA-N 355.482 2.823 0 50 FFAA CC(C)N1C[C@H](C)[C@@H](NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 155619586 KTWYUEOSYVOJKO-NHYWBVRUSA-N 372.296 2.568 0 50 FFAA O=C(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1csc(C2CC2)n1 2325734699 GUWIAWXLWVFMGL-UHFFFAOYSA-N 360.819 2.932 0 50 FFAA O=C(O)C1CC2(C1)CC(C(=O)N1CCN(c3ccc(F)cc3F)CC1)C2 2325769397 MMHSZBGRDOUBKY-UHFFFAOYSA-N 364.392 2.504 0 50 FFAA CC(C)CN(C(=O)N1CC(n2ccnn2)C1)[C@H]1CCCc2cccnc21 2325774442 AJZJQFLHWDCFJS-KRWDZBQOSA-N 354.458 2.685 0 50 FFAA Brc1ccc2c(c1)C1(CC1)CN(c1ccc3nncn3n1)C2 2325790753 HOAXLUISAQMFPI-UHFFFAOYSA-N 356.227 2.939 0 50 FFAA CCC[C@@H](CC)C(=O)N1CCC(C)(NC(=O)CCc2ccn(C)n2)CC1 2325792983 APLDDWMNRKAQJS-MRXNPFEDSA-N 362.518 2.676 0 50 FFAA O=c1c2ccccc2ncn1CCN1CCC[C@H](c2ccc(CO)cc2)C1 2325809771 KIMYONWSFGITIP-IBGZPJMESA-N 363.461 2.768 0 50 FFAA O=C(NC[C@H](C(=O)O)c1ccc(Cl)cc1)c1cn2cccc(F)c2n1 2325865477 DODUSBMQTRSVEW-LBPRGKRZSA-N 361.760 2.725 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)NCc2ccc(Br)c(F)c2)C1 2325888296 DOOCBJRJKLYQOF-LBPRGKRZSA-N 369.234 2.629 0 50 FFAA O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 868912099 UOPWYIFXOPMERO-OLACSRSOSA-N 364.392 2.517 0 50 FFAA CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c1 1063565 TUFXHNLSWHYMBG-UHFFFAOYSA-N 360.435 2.602 0 50 FFAA NC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)cc1 1196104 QCUMIKIWEVZBRJ-UHFFFAOYSA-N 354.225 2.522 0 50 FFAA C[C@@H](NC(=O)CSc1nnc(-c2cccnc2)n1C)c1ccccc1 6698920 NXPTWWFNOLQFDI-CYBMUJFWSA-N 353.451 2.847 0 50 FFAA O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nc(O)oc2c1 416379224 VOZPATUEYIRGDK-IUCAKERBSA-N 364.345 2.933 0 50 FFAA O=C(CCNCc1ccccc1-n1ccnc1)N1CCc2ccccc2C1 65418630 PDENACUWQGYLPE-UHFFFAOYSA-N 360.461 2.937 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCNCC1 67821559 UBSMUSDGARLSTF-SFHVURJKSA-N 352.482 2.724 0 50 FFAA C[C@H]1CC(=O)c2cc(C(=O)Nc3ccccc3N3CCCC3)c(=O)[nH]c2C1 67630766 ARWOFMQBOJSHHW-CYBMUJFWSA-N 365.433 2.992 0 50 FFAA CC(C)CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607483 LTERBOQZQNYUGR-UHFFFAOYSA-N 372.918 2.654 0 50 FFAA Cc1ccc(-n2cccn2)cc1NC(=O)Nc1cnn(CCN(C)C)c1 252484762 GGZFGDYRKNQRPX-UHFFFAOYSA-N 353.430 2.583 0 50 FFAA CN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)C1 252467319 CGIVYEHECPJJMJ-ZBFHGGJFSA-N 350.894 2.560 0 50 FFAA CC(C)N1CCCn2nc(C(=O)N[C@@H](C)c3cn4ccsc4n3)cc2C1 65405923 VNUYZXGLULHRNA-ZDUSSCGKSA-N 372.498 2.697 0 50 FFAA C[C@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)N1CCCC1=O 67674025 MFOGYVSADJQNIT-OAHLLOKOSA-N 366.465 2.794 0 50 FFAA CCCCS(=O)(=O)N1CCC(n2cc(-c3ccsc3)nn2)CC1 63832259 ZVMCRXXZHGNAOJ-UHFFFAOYSA-N 354.501 2.773 0 50 FFAA O=C(N[C@H]1CC[C@@H](CO)CC1)c1nn(-c2ccccc2F)c2c1CCC2 151751139 QKNADFOJRVKMES-HDJSIYSDSA-N 357.429 2.781 0 50 FFAA C[C@@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)O1 328632185 RRZYTQWRCPYVPI-YNVMFWSZSA-N 362.518 2.609 0 50 FFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(F)cc3)C2)c1 5030446 VRNOZPDIRAQLFB-SFHVURJKSA-N 358.369 2.652 0 50 FFAA O=S(=O)(c1cnn([C@H]2CCOC2)c1)N(c1ccccc1)C1CCCC1 153588297 PLCNOSFUBMJDNO-KRWDZBQOSA-N 361.467 2.982 0 50 FFAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1 32565444 JARYJVXXHCKPPP-QUCCMNQESA-N 373.447 2.834 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)c1 72128884 QDFHPVYUBCYYJN-CYBMUJFWSA-N 369.437 2.732 0 50 FFAA COc1cccc(CC2CCN(C(=O)Nc3cccn(C)c3=O)CC2)c1 363752298 MGXPSPZXRABONO-UHFFFAOYSA-N 355.438 2.881 0 50 FFAA COCc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)s1 215933034 BBTKTSDXNUWTIG-QGZVFWFLSA-N 354.435 2.801 0 50 FFAA CNC(=O)c1noc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)n1 72146646 KZNPPIHTFBHBBH-GFCCVEGCSA-N 364.396 2.552 0 50 FFAA CN(C)C[C@]1(O)CCCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 72167960 NTYICIODXDEPCW-QFIPXVFZSA-N 366.509 2.915 0 50 FFAA Cc1noc(C)c1COc1ccccc1C(=O)N1CC[C@@](C)(C(=O)O)C1 237630494 HLSNRYXVVJQENQ-LJQANCHMSA-N 358.394 2.807 0 50 FFAA C[C@@H](CO)N1CCCN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 375486080 RTUOKCHTMYLXMS-STQMWFEESA-N 374.312 2.709 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2ccncc2F)C1 72469208 SFVQKMJUFQRZGQ-OAHLLOKOSA-N 358.465 2.719 0 50 FFAA Cn1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)(C)C)cc2)c1=O 262756495 JRPVCIZXAKGQGW-MRXNPFEDSA-N 356.422 2.629 0 50 FFAA CC(C)c1nnc2sc(C[C@@H]3CN(Cc4ccccc4)CCO3)nn12 71712194 YZGAPLHAZOUXIW-OAHLLOKOSA-N 357.483 2.753 0 50 FFAA CCc1c(C(=O)N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)[nH]c2ccccc12 72144256 AAFQOAOQPSDQCU-QGZVFWFLSA-N 369.465 2.741 0 50 FFAA COCCN(C)c1ccc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)cn1 242389451 ZXHHVLTYOQGLEY-GOSISDBHSA-N 372.488 2.919 0 50 FFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)NCc1ccc3c(c1)OCCCO3)C2 176307399 KEOFGJJQMOKFHU-IRXDYDNUSA-N 359.470 2.662 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1 46669050 ZKRBRSNXASFNLE-UHFFFAOYSA-N 353.492 2.774 0 50 FFAA Cc1ccccc1N1CCN(C(=O)Cc2ccc(F)c(F)c2F)CC1=O 82166181 BMIPWLYODOWYRJ-UHFFFAOYSA-N 362.351 2.830 0 50 FFAA Cc1nc(N)ncc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 222770673 GJXWNOJOZUCUNY-LBPRGKRZSA-N 353.451 2.997 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccc(-c2cnc(O)nc2)cc1)c1nccn1C 426593844 SDDQUAPQPWIFFU-MRXNPFEDSA-N 351.410 2.710 0 50 FFAA CSc1ncccc1C(=O)N1CC(=O)N(c2cccc(C)c2)C[C@H]1C 82171964 NJGLNIXWFZVTLO-CQSZACIVSA-N 355.463 2.989 0 50 FFAA Cc1ccc2snc(C(=O)N3CSC[C@@H]3C(=O)N3CCCC3)c2c1 293490175 SSVZUMJWOHKYKD-CYBMUJFWSA-N 361.492 2.742 0 50 FFAA CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccnn3)CC2)C1 95379185 AAGNJNVDAIMKHQ-GOSISDBHSA-N 350.466 2.818 0 50 FFAA O=C(c1ccc2nccn2c1)N1CCN(Cc2cc(F)cc(F)c2)CC1 91665714 XBESRMLCSCYWCM-UHFFFAOYSA-N 356.376 2.571 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(Cl)ccc1F)CC2 92028063 LUBDIBCRGCGYTB-UHFFFAOYSA-N 362.836 2.822 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 91461231 XIPFEMXHMMLOSO-GOSISDBHSA-N 368.481 2.632 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC2(CC1)OCCC[C@@H]2O 92077871 XDTQTLBIBTZSBD-HNNXBMFYSA-N 357.372 2.780 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1cc(-c2ccccc2)ns1 295240402 LPGLMYRHSYIRNE-GFCCVEGCSA-N 350.465 2.964 0 50 FFAA CN1CCC(n2nc(-c3ccccc3)nc2CCc2cnn(C)c2)CC1 96153511 RPIRIZZYWUDVJX-UHFFFAOYSA-N 350.470 2.731 0 50 FFAA COc1ccc2c(c1)OC[C@]1(C(=O)O)CN(C(=O)c3ccc(F)cc3)C[C@H]21 96131678 HIIMAHKMEFTZCT-OXQOHEQNSA-N 371.364 2.537 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)Nc1cc(-c2ccccn2)nn1C 96164656 RGFQWXMCIGWEKC-UHFFFAOYSA-N 365.441 2.748 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cnn([C@H]3CCCNC3)c2)[C@@H](C)CO1 333283477 MWMVUSIADQCZDH-QRFRQXIXSA-N 368.481 2.718 0 50 FFAA Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91693553 MJOCEASUUCXHFC-WMLDXEAASA-N 368.506 2.550 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)C1CCN(C(=O)C2CCCC2)CC1 95392781 CKVZVWVWSVJSGS-UHFFFAOYSA-N 373.497 2.941 0 50 FFAA O=C(N[C@@H](C(=O)O)c1ccccc1Cl)c1cc(=O)[nH]c2ccccc12 95508713 YWSRQLLXVAOFQR-MRXNPFEDSA-N 356.765 2.737 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C[C@@H]1CC=CCC1)CC2 95506567 IRAMTNJACLSIIB-MRXNPFEDSA-N 354.498 2.852 0 50 FFAA O=C([C@H]1CCCN(Cc2ccco2)C1)N1CC(Oc2ccccc2F)C1 95527706 CITDKOUCGVEZSD-HNNXBMFYSA-N 358.413 2.921 0 50 FFAA COc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1O 91914632 FBJVFLBOCJJBEI-IAGOWNOFSA-N 367.449 2.532 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3nnnn3-c3ccccc3)c2c1 91493237 IEZKKLDZGFNMAR-UHFFFAOYSA-N 374.448 2.928 0 50 FFAA Cc1cccc(S(=O)(=O)N[C@H]2C[C@H](c3cc(N4CCCC4)ncn3)C2)c1 244574851 CSHFKGVMHAKBOE-WKILWMFISA-N 372.494 2.610 0 50 FFAA N[C@H]1C[C@H](c2nnc(CNC3(c4cc(F)ccc4F)CC3)n2C2CC2)C1 243893541 ARVHEEPRNHQUMD-AULYBMBSSA-N 359.424 2.875 0 50 FFAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1ccc2c(c1)OCCO2 243901498 BBYRDNNVMKRFAZ-KZNAEPCWSA-N 353.418 2.570 0 50 FFAA Cc1cnc(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1O 253536827 PMGFMZXIJDXGHG-KRWDZBQOSA-N 360.479 2.593 0 50 FFAA C[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1ccc2c(c1)OCCCO2 534636307 JSTYGWAVIGODTE-ZDUSSCGKSA-N 355.438 2.951 0 50 FFAA CCOC(CN(CCc1ccccc1)C(=O)[C@@H](N)CC(C)C)OCC 261508688 VWOIVYLZBORBLV-SFHVURJKSA-N 350.503 2.830 0 50 FFAA CC(C)(C)c1cc(=NC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)[nH]o1 1940196419 KMQSUTJSJLJLHD-UHFFFAOYSA-N 372.404 2.606 0 50 FFAA Cc1cc2cccc(NC(=O)N3CCCO[C@H](CN4CCOCC4)C3)c2o1 299791775 GOKBJHKWJDLDCV-QGZVFWFLSA-N 373.453 2.696 0 50 FFAA CCn1c(C)ccc(C(=O)Nc2ccccc2Cn2ccnc2C)c1=O 823582673 YGFHJEVHWRWDPS-UHFFFAOYSA-N 350.422 2.982 0 50 FFAA C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cc2ncccn2n1 822410076 XDOSZVFDTVYGQE-AWEZNQCLSA-N 363.421 2.996 0 50 FFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 270476052 DLGUGYZDMSKRMF-MSOLQXFVSA-N 366.465 2.748 0 50 FFAA COC(=O)Cc1ccc2cc(OC[C@H]3C[N@@]3Cc3cnn(C)c3)ccc2c1 1875385371 RQTKQRDXXVBXBG-NTKDMRAZSA-N 365.433 2.552 0 50 FFAA O=C(N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]21)c1ccc(C2CC2)o1 1875407222 VKZZXUIDLJXOFD-LVQVYYBASA-N 354.450 2.924 0 50 FFAA CN(C)Cc1cccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1 952974295 AKRCWHLMNHZVRT-UHFFFAOYSA-N 351.450 2.822 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1OC 952973374 SQYIXPHBGZAJRJ-UHFFFAOYSA-N 361.398 2.719 0 50 FFAA O=C(c1ccco1)N1CCC[C@H](NCc2cnc(-c3ccccn3)nc2)C1 952979548 UHRHJFFVHUMXQD-INIZCTEOSA-N 363.421 2.526 0 50 FFAA Cc1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)c(C)n1 1565517130 LKVAWRWDANFIDR-MJGOQNOKSA-N 368.456 2.969 0 50 FFAA O=c1cc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)nc2ccccn12 1073369761 SHTQTYOTRIEOQJ-CTNGQTDRSA-N 374.488 2.791 0 50 FFAA C[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 171242548 ZFSHWQQIMQAUBW-NSHDSACASA-N 368.842 2.888 0 50 FFAA Cc1ncc(C(=O)NS(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)s1 225393557 YQOAMOVMTJQYCW-SSDOTTSWSA-N 372.855 2.547 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc(OC)c2c(c1)OCCO2 190429357 LAMZBAMBNYGWRF-YJBOKZPZSA-N 373.453 2.693 0 50 FFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)CCc2ccccn2)C1 190537869 MBSPROIOTOAFOG-INIZCTEOSA-N 358.511 2.760 0 50 FFAA O=C(Nc1nncs1)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 193101078 VWTAIOFIHQZFMG-NWDGAFQWSA-N 356.373 2.787 0 50 FFAA Cc1cc(C)n(CC2(CNC3CCN(C(=O)c4ccncc4)CC3)CC2)n1 1506415567 DVSVIPZOXQHQGK-UHFFFAOYSA-N 367.497 2.570 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 212912582 KPIMAADMVOLPDQ-KGLIPLIRSA-N 364.848 2.881 0 50 FFAA COc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)ccc1OC(C)C 1529179081 UVZWNANYFRSISX-QZTJIDSGSA-N 370.449 2.865 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1C[C@H]3C[C@H](O)C[C@H]3C1)O2 1800410930 DQWZEJRZIAWVKY-FAPUVCABSA-N 359.466 2.630 0 50 FFAA O=C(NCC[C@H]1C[C@@H](O)C1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772809336 STJGZVKYOKCTHS-AEGPPILISA-N 357.479 2.587 0 50 FFAA O=C1CN(C(=O)c2scc3c2CCCC3)C[C@H](Cc2ccccc2)N1 1772701589 MYCDVTMLJWCQKZ-INIZCTEOSA-N 354.475 2.810 0 50 FFAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)nn1 12163813 XGCOSKVDCJHHJS-AWEZNQCLSA-N 359.401 2.757 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3cc(O)c4ccccc4n3)C2)C1 12201061 FSNUJYCCBUYNMG-NRFANRHFSA-N 355.482 2.875 0 50 FFAA CC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1 16603384 VQTMYJLNTVHMHN-OAHLLOKOSA-N 355.276 2.817 0 50 FFAA C[C@H](C(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)C1CCOCC1 153069571 FRAQZHOGXVAACD-NSHDSACASA-N 359.405 2.680 0 50 FFAA Cc1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1 123327900 DYYBEKXBFRZFLG-UKRRQHHQSA-N 351.328 2.752 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 238078027 FHRAHYXPHOLHNI-JTQLQIEISA-N 351.200 2.867 0 50 FFAA NS(=O)(=O)c1ccc(CNCC2(c3ccccc3)CC2)cc1Cl 241719782 QPNCPRIUKVGKBB-UHFFFAOYSA-N 350.871 2.809 0 50 FFAA O=C(NCCc1cc2ccccc2[nH]1)N1CCN(Cc2cccnc2)CC1 136671891 XKIXKAOIIORBBO-UHFFFAOYSA-N 363.465 2.633 0 50 FFAA Cc1cc([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCCO4)C2)n[nH]1 368663439 PAANENDRIBGEOF-INIZCTEOSA-N 355.438 2.828 0 50 FFAA CCNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 494549728 WFAXCCZQOCRNPK-UHFFFAOYSA-N 365.433 2.596 0 50 FFAA COc1cc(C)nc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1 497551504 JEGAISHIQSCMSK-CQSZACIVSA-N 351.353 2.973 0 50 FFAA CC(C)(C)c1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)on1 267341848 KBXSNNIUSJMEPA-UHFFFAOYSA-N 367.402 2.797 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)O)c(C)o2)cc1OC 811802 PAFBZCCPXRQOJW-CQSZACIVSA-N 359.378 2.961 0 50 FFAA CNc1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1 2325760822 JJSVQSUEXDCZKN-LJQANCHMSA-N 355.438 2.887 0 50 FFAA COC(=O)COc1ccc(NC(=O)[C@@H]2CC=C[C@@H](N)C2)c2ccccc12 2325768392 PWDDMPIJFDMETJ-ZIAGYGMSSA-N 354.406 2.624 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(c2ncnc4c2[S@@](=N)(=O)CCC4)C3)cc1 2325789393 MUFBFNCNJJEDCL-JSXNVLRUSA-N 354.479 2.915 0 50 FFAA CC1(C)Cc2cccc(OCC(=O)NC[C@H]3COCCC3(F)F)c2O1 2325791293 LGBBTUYBNSHWQK-ZDUSSCGKSA-N 355.381 2.567 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)C2)cc1 246957325 OFGUYNBZLBPJII-NZSAHSFTSA-N 369.509 2.589 0 50 FFAA COc1cccc(C2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)C2)c1 912204 RIOKEBWGLUYXBI-MRXNPFEDSA-N 365.311 2.591 0 50 FFAA O=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 1406567 UOIWGJQFFMKHKC-JJRVBVJISA-N 364.323 2.791 0 50 FFAA O=C(O)c1cccc(C(=O)Nc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 2879729 KFCQADYFMHHBFL-INIZCTEOSA-N 354.362 2.755 0 50 FFAA Cc1nc(-c2ccc(CNC[C@]3(O)CCCN4CCCC[C@@H]43)cc2)no1 63833369 VRPHUXGUBRYVSX-UYAOXDASSA-N 356.470 2.514 0 50 FFAA OCCOc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1 23360464 BJURPXBPEOSYIK-IBGZPJMESA-N 358.457 2.951 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1C 65364433 KWIJLJDRYMUZQP-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](c2ccncn2)C1 229495412 QMXCSIZMBJBDDQ-LSDHHAIUSA-N 356.495 2.691 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)O 120177361 WSDKWZWWRFFBHV-NWDGAFQWSA-N 360.439 2.672 0 50 FFAA CC[C@H](O)CNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 67803921 KXWGKASVWANDMQ-SFHVURJKSA-N 371.481 2.630 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328618172 DLPARZHTUTVXHM-LBPRGKRZSA-N 369.391 2.587 0 50 FFAA Cc1cc(C)n2c(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)nnc2n1 72166288 ADCZJDOECVYJQC-MRXNPFEDSA-N 368.416 2.597 0 50 FFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1c1cccc2c1OCCO2 328770283 AACSTWJBODNCHM-GUYCJALGSA-N 353.422 2.650 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@](O)(CN(C)C)CC3)c2c1 77518451 OARUYHFQUHIZPV-OAQYLSRUSA-N 355.482 2.770 0 50 FFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O 72470207 VEWRZBLPIDVBHA-MRXNPFEDSA-N 368.433 2.990 0 50 FFAA C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(F)(F)C3)cn2)C[C@@H](C)O1 331852054 HYSPMESMQOGJCJ-GUTXKFCHSA-N 353.413 2.747 0 50 FFAA O=C([C@@H]1CCCN(C2CCN(CCCn3cccc3)CC2)C1)N1CCCC1 71750026 GJPYWGQDQDXZMV-HXUWFJFHSA-N 372.557 2.677 0 50 FFAA Cc1nnc2n1CCN(C(=O)Nc1cccc(C(=O)c3ccccc3)c1)C2 363223190 WSOWXJZHJIFHAP-UHFFFAOYSA-N 361.405 2.865 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCN[C@H](C)C3)c2C)cc1 155180666 UEUWDGSGIMRDHT-MRXNPFEDSA-N 354.498 2.610 0 50 FFAA Cn1nc(CN2CCNC(=O)[C@H]2Cc2ccccc2)c2c(Cl)cccc21 215469218 URNVOFYKUBSOET-GOSISDBHSA-N 368.868 2.770 0 50 FFAA O=C(NCCn1cccn1)c1cc(COc2ccc3c(c2)CCCC3)on1 14962150 MJBSHHHZAMWMRT-UHFFFAOYSA-N 366.421 2.759 0 50 FFAA CC(C)CC(=O)N[C@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1ccccc1 332414921 TVABTGSGTLTJGJ-FPOVZHCZSA-N 371.525 2.977 0 50 FFAA CCCc1nc(NC2CCN(C(=O)CC(C)C)CC2)c2cnn(C)c2n1 72155932 PBVFJQOSBKOVMD-UHFFFAOYSA-N 358.490 2.765 0 50 FFAA COc1ccccc1N1CC[C@@H](Nc2nccn3c(C(C)C)nnc23)C1 489654059 AGITUMKYNJLURW-CQSZACIVSA-N 352.442 2.947 0 50 FFAA Cc1noc(C2CCC(N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 368597825 YIUWCHABAWFQRS-ABHNRTSZSA-N 354.454 2.795 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(=O)[nH]2)c2ccc(C)c(C)c2n1 77319174 XSLLAAJXVWGGOD-HNNXBMFYSA-N 351.410 2.549 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)N1CC=C(c2ccc(F)cc2)CC1 72458503 BKIMFQKTAXHZMX-UHFFFAOYSA-N 368.456 2.764 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c(Cl)c1 379293033 WEELZSLDGLMZNM-CABZTGNLSA-N 356.797 2.691 0 50 FFAA COC(=O)CCc1csc(NC(=O)c2cc3c(s2)CCOC3)n1 159044814 BERZRQFCQIEYRW-UHFFFAOYSA-N 352.437 2.635 0 50 FFAA O=C(Cc1cccc(C(=O)O)c1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 262822021 PUZZMWYCYQNUHN-LPHOPBHVSA-N 357.381 2.960 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1 214952787 XDWQCLDTQYFORH-KRWDZBQOSA-N 357.483 2.817 0 50 FFAA O=C(CCCOc1ccccc1)N1CCCN(Cc2cccnc2)CC1 77505521 VLMFSXBVIBVLJQ-UHFFFAOYSA-N 353.466 2.975 0 50 FFAA Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](C)c3cc4ccccc4o3)CCO2)c1 176367503 XEANSOBRDUSBOW-RDJZCZTQSA-N 353.422 2.969 0 50 FFAA COC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)C(=O)[C@@H]2C)cc1 72164006 CUBOWPLHZRCFJI-HNNXBMFYSA-N 368.433 2.719 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/[C@H]1OC(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772464 OAHMLWQISGEXBB-HWQOOBKHSA-N 366.454 2.754 0 50 FFAA in-vitro O=C(c1c(F)ccc(F)c1F)N1CCCn2nc([C@H](O)C3CC3)cc2C1 223641917 BGXZSQLPZKBRDW-QGZVFWFLSA-N 365.355 2.790 0 50 FFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2scc3c2OCCO3)C1 223172238 DNJSPDABUCYOLQ-GFCCVEGCSA-N 358.419 2.649 0 50 FFAA COc1ccc(-c2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)no2)cc1 227156084 DDRDIMOHOGTJKP-UHFFFAOYSA-N 354.410 2.973 0 50 FFAA Cc1cc(C)n(CCCNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1 426438998 RTRAOROWJGDFQX-UHFFFAOYSA-N 352.442 2.575 0 50 FFAA COc1ccc(C2(C(=O)NCCCc3nnc(N)s3)CCCC2)cc1 222562246 YHTMGBBLVFKJCR-UHFFFAOYSA-N 360.483 2.690 0 50 FFAA COc1ccc2c(C)cc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)nc2c1 82157749 CMUZSKIISAUCRV-QGZVFWFLSA-N 355.438 2.585 0 50 FFAA O=C(CC1CCCC1)N1CCCC[C@@H](NS(=O)(=O)c2cccs2)C1 82097930 XVEWUYKYFGMRID-OAHLLOKOSA-N 370.540 2.988 0 50 FFAA C[C@@H](CCn1cccn1)NC(=O)c1ccc2sc3c(c2c1)CCNC3=O 220072316 VWFZJTMFWCEGDD-LBPRGKRZSA-N 368.462 2.592 0 50 FFAA Cc1c([C@H](C)NC(=O)c2ccccc2-c2nnn[nH]2)cnn1-c1ccccc1 91793695 YSTSBEKMSITWOR-ZDUSSCGKSA-N 373.420 2.852 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)n1 91587525 VSSJJDDZFDFWHU-INIZCTEOSA-N 358.417 2.614 0 50 FFAA CN(CCC1CCOCC1)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95499743 UIESHACXMPOXMM-UHFFFAOYSA-N 355.438 2.506 0 50 FFAA CCCSCc1nc(-c2ccc(C)o2)nn1[C@H]1CCS(=O)(=O)C1 96167198 NARZSCQIIOFPGP-LBPRGKRZSA-N 355.485 2.849 0 50 FFAA Cc1cc(=O)[nH]c(CCn2cc(-c3cccc(Cl)c3Cl)nn2)n1 91595636 CULZMFVEEGXFQX-UHFFFAOYSA-N 350.209 2.886 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)[C@H](c3ccccc3F)N(C)C)CC2)n1 91575208 MLNCVKITQNFSLI-SFHVURJKSA-N 358.461 2.838 0 50 FFAA CCn1cc(CN2CCC3(CC2)CC(=O)N(Cc2c(C)noc2C)C3)cn1 95382413 HRKLWTXGPJPMOZ-UHFFFAOYSA-N 371.485 2.523 0 50 FFAA O[C@H]1CN(Cc2cccc(OCc3ccccc3)c2)C[C@@H]1N1CCCC1 97604127 HHBNJZVLXYTUGK-VXKWHMMOSA-N 352.478 2.907 0 50 FFAA Cn1cc(CN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C2CCCCC2)cn1 91664793 OCUOERANMRFPFR-MRXNPFEDSA-N 360.502 2.728 0 50 FFAA Cc1n[nH]c(C)c1CCCNC(=O)C1CCN(C(=O)C2CCCC2)CC1 95368868 GMAKQFVLJWABPZ-UHFFFAOYSA-N 360.502 2.504 0 50 FFAA O=C(c1ccc(Cl)s1)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 96149496 ZCOLUFTUVLXMRQ-GTNSWQLSSA-N 368.886 2.803 0 50 FFAA Cc1ncc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cn1 95499938 SVYOWNATZRGYQE-UHFFFAOYSA-N 370.472 2.951 0 50 FFAA CN(C[C@H]1COCCO1)C(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95376275 YALROOYOSNDXPK-KRWDZBQOSA-N 369.396 2.628 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(C)c(C)c1 239173930 OXYVJYPQGBZNLG-GFLQDLJJSA-N 364.445 2.667 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)c1cc(-c2cccn2C)n[nH]1 91664099 YGZCEQGIYADLND-UHFFFAOYSA-N 360.421 2.839 0 50 FFAA O=C(Cc1ccccc1F)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244626714 FRBHTMTZOIYLBV-FVJLSDCUSA-N 355.409 2.932 0 50 FFAA O=C(c1ccccc1C(F)(F)F)N1CCN([C@@H]2CN3CCC2CC3)CC1 244900141 ZWTBFIATHXOWTJ-QGZVFWFLSA-N 367.415 2.557 0 50 FFAA Cc1ccc(C2(O)CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)nc1 244858481 VLZPKELKOWDPPR-KRWDZBQOSA-N 365.477 2.651 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1cccc(-c2cncc(=O)[nH]2)c1 534654441 CMOGXRYQBGOSLV-UHFFFAOYSA-N 365.437 2.577 0 50 FFAA COc1ccc2oc(CN[C@H](C)Cn3cnc4ccccc4c3=O)nc2c1 534660491 WFCZMLSMNDLENO-CYBMUJFWSA-N 364.405 2.725 0 50 FFAA O=C(O)c1cccc(CN2CCCN(C(=O)c3ccccc3F)CC2)c1 263502505 VZIYAEJQTITIQG-UHFFFAOYSA-N 356.397 2.872 0 50 FFAA CC(C)n1nc(C2(c3ccccc3)CC2)nc1CN1CCC(C(N)=O)CC1 826829000 GFYJJNOLGWPHRS-UHFFFAOYSA-N 367.497 2.636 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)OCCCO2 823118458 GJBNAOHZYIYUDH-LJQANCHMSA-N 366.461 2.911 0 50 FFAA O=C(N[C@@H]1CC[C@H]2CNCC[C@@H]2C1)c1ccn(-c2ccc(F)cc2F)n1 1875292401 HHCUUYYFPLXHDQ-VNHYZAJKSA-N 360.408 2.659 0 50 FFAA COC1(C(F)(F)C(=O)N(C[C@H]2CCCO2)c2ccnnc2)CCCCC1 1875392336 WMSZTNUQLPEEOM-OAHLLOKOSA-N 369.412 2.973 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CC(Cc3c(F)cccc3Cl)C2)C1 1875371696 JLINQKOJYBTRMR-CQSZACIVSA-N 364.848 2.905 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)cc1 1875373624 IKBZAJZRINHEHF-GOSISDBHSA-N 352.438 2.936 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875376709 GHAOWNRYODKGLZ-VGMNTSGFSA-N 373.497 2.755 0 50 FFAA CCOc1cccnc1S(=O)(=O)NCc1cc(C)ccc1OC(F)F 1875327851 NFBYBKXGVSPOGS-UHFFFAOYSA-N 372.393 2.869 0 50 FFAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)N[C@@H](C(=O)O)c1ccc(C)c(C)c1)C2 1875304925 ZNKSJFIYFOOECD-XOKHGSTOSA-N 355.438 2.874 0 50 FFAA O=C(CCN1CCCCCC1=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 952980115 CLJOFQYWICETRJ-SFHVURJKSA-N 360.454 2.976 0 50 FFAA O=C(Nc1ccc2scnc2c1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 952968547 CLNGPLAHIJXMSR-CYBMUJFWSA-N 352.419 2.679 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2csc(CN(C)C)n2)cc1 952984027 TYYMJBYSLFZEJX-LBPRGKRZSA-N 358.467 2.972 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565526302 ZOTNBPJNRSTQRA-OALUTQOASA-N 365.433 2.767 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(F)cc1F 1565525785 DNPZUXGMHGNFSQ-HIFRSBDPSA-N 371.387 2.737 0 50 FFAA Cc1ccn(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c(=O)c1 194752944 GSRHEIAHEIDSAR-OAHLLOKOSA-N 359.857 2.595 0 50 FFAA Cc1cc(C(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)cc(C)n1 1529180411 INGMQLSQHWDSNG-WOJBJXKFSA-N 351.450 2.596 0 50 FFAA Cc1noc(C)c1C(=O)N1CCCN(c2ncnc3ccsc23)CC1 1772806352 XAGKFGGDQOQEQF-UHFFFAOYSA-N 357.439 2.649 0 50 FFAA COc1nc(NC2CCN(C(=O)NC3CCCCC3)CC2)ncc1F 1772701181 IVQYUDJCFZUGMR-UHFFFAOYSA-N 351.426 2.543 0 50 FFAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)CN1CCCCC1)C2 11791380 BXNGNNHMOFGPNL-SFHVURJKSA-N 365.477 2.963 0 50 FFAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)CCN2CCCCO2)C1 11840877 QMICEHIUQSOIHD-CQSZACIVSA-N 366.408 2.804 0 50 FFAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 12167418 IJLGHXQSHGHOMJ-BXUZGUMPSA-N 359.401 2.757 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)Cc1nonc1C 12703440 NXULJCPWFKSIKD-ZDUSSCGKSA-N 372.473 2.667 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCCN(CCc2ccccc2)C1 14954677 CAYAAKWRSIFZFR-HXUWFJFHSA-N 371.525 2.602 0 50 FFAA COc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1OC 15658352 UFPORTCWAXDDBR-UHFFFAOYSA-N 365.389 2.612 0 50 FFAA biogenic CCC(=O)c1c(CC)nn2c3ccccc3n(CCN3CCOCC3)c12 16677462 RRWHHYQZSGVRGL-UHFFFAOYSA-N 354.454 2.776 0 50 FFAA O=P(OC[C@@H]1CCCO1)(OC[C@@H]1CCCO1)OC[C@H]1CCCO1 17284568 YUUDAJZHJYVGCS-SOUVJXGZSA-N 350.348 2.681 0 50 FFAA COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1 19551559 NNMBVLOFYHUQKP-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA COc1cccc(-c2cc3n(n2)[C@@H](NCCc2cccs2)CNC3=O)c1 169754529 MFLFYZPUAKNJMS-GOSISDBHSA-N 368.462 2.695 0 50 FFAA CCN1CCC[C@@H](CN(C)C(=O)c2cc(Cl)c[nH]2)[C@@H]1c1cnn(C)c1 328625978 LGROPTQIDDZYLB-SUMWQHHRSA-N 363.893 2.947 0 50 FFAA Cc1cnc2c(c1)N(C(=O)Cc1cc(Cl)c3c(c1)OCCO3)CCO2 127127425 NMWQXSYLBKLEIF-UHFFFAOYSA-N 360.797 2.783 0 50 FFAA Cc1ccsc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 253598751 RYITWZHGUJYMPG-OCCSQVGLSA-N 361.492 2.776 0 50 FFAA COCc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 374843652 VTDAKZFBZQOAMQ-CQSZACIVSA-N 356.426 2.534 0 50 FFAA CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccccc1[S@@](=O)C(F)(F)F)C2 821776174 BZHFUSJTLUQHDS-BGBYCUJFSA-N 360.401 2.669 0 50 FFAA Cc1cccc2[nH]cc(C(=O)CSc3nncn3[C@@H]3CCCNC3)c12 2325787745 URODZHHZPZDXPM-CYBMUJFWSA-N 355.467 2.967 0 50 FFAA Cn1cc([C@@H](NC(=O)c2ccc3c(c2)CCCNC3)c2ccccc2)cn1 2325795354 BDKNHEURHCIKHJ-NRFANRHFSA-N 360.461 2.975 0 50 FFAA Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CC[C@H](N)C4)cn3)c2)n1 2325796707 FUJGUYWDZGQCSU-SFHVURJKSA-N 361.449 2.724 0 50 FFAA O=C(Cc1ccc2c(c1)CCC(=O)N2)NCCc1ccc2c(c1)CCOC2 2325797754 QKPXHXUYPROHFI-UHFFFAOYSA-N 364.445 2.545 0 50 FFAA CCc1ccc2c(c1)[C@H](CC(=O)N[C@H](C(=O)OC)[C@H]1CC=CCC1)C(=O)N2 2325823729 BUNXKQDSENQDIG-QOKNQOGYSA-N 370.449 2.689 0 50 FFAA O=C(NCCN(CC1CC1)C(=O)c1cnco1)c1ccc2cccnc2c1 2325871289 GQEQVTMSALFNKX-UHFFFAOYSA-N 364.405 2.505 0 50 FFAA CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 629668 ILMLXMAXMCPEOZ-LBPRGKRZSA-N 358.467 2.557 0 50 FFAA Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 871635 ONDDRTHEMQKSMO-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA COc1cccc(C2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)C2)c1 912202 RIOKEBWGLUYXBI-INIZCTEOSA-N 365.311 2.591 0 50 FFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1119441 CJBALCQYAAHELW-UHFFFAOYSA-N 372.368 2.931 0 50 FFAA O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1c(Cl)cccc1Cl 1127247 FNCCNTKNRHTKKU-CYBMUJFWSA-N 359.184 2.813 0 50 FFAA C[C@@H](C(=O)Nc1nc2c(s1)CCCC2)N1C(=O)c2ccccc2C1=O 1791460 FEGJPBYSFIEENW-JTQLQIEISA-N 355.419 2.645 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(Cc2ccnn2-c2ccccc2)C1 2356144472 ZHYMTBOWJXIEIL-NRFANRHFSA-N 360.465 2.555 0 50 FFAA CCCn1c(=O)c2c(nc3n(C4CCCCC4)c(C)c(C)n23)n(C)c1=O 8709795 GBICTYOWYYMFRC-UHFFFAOYSA-N 357.458 2.681 0 50 FFAA Cc1ccc(NC(=O)c2cccc(CN3C[C@H](O)[C@@H](OC(C)C)C3)c2)cn1 65404727 DOGWZJRUIAVEHI-PMACEKPBSA-N 369.465 2.612 0 50 FFAA COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)c(OC)c1 4387084 UYZGXPORMKLLHJ-AWEZNQCLSA-N 351.358 2.986 0 50 FFAA Cc1nc2cc(OCc3nc(C(=O)N(C)C[C@@H](C)O)co3)ccc2s1 67772694 TYYQQOKMOCAZHK-SNVBAGLBSA-N 361.423 2.625 0 50 FFAA O=C(NCc1cccnc1-n1cnc2ccccc21)C1(Cn2ccnc2)CC1 67692022 VMRAVPDBAUQEPQ-UHFFFAOYSA-N 372.432 2.714 0 50 FFAA O=C(Cc1csc(-c2cccs2)n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 151740353 JKFJXDYWXFJPSO-UONOGXRCSA-N 364.492 2.821 0 50 FFAA Cc1ccc(C(=O)NCCc2nnc(N)s2)cc1NC(=O)C1CCCC1 65501480 LPXULPUSDNXCSE-UHFFFAOYSA-N 373.482 2.530 0 50 FFAA Cc1cnn([C@@H](C)CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)c1 67975666 SESGNGCDMJISNV-HNNXBMFYSA-N 362.437 2.909 0 50 FFAA Cc1cccc(N2CCN(C(=O)NCc3c(C)nn(C)c3C)CC2)c1C 173480916 URVHPPLWEYWCAX-UHFFFAOYSA-N 355.486 2.686 0 50 FFAA Cn1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cn1 999954 MAPYYTNDSCCYEZ-NSHDSACASA-N 360.483 2.984 0 50 FFAA COCc1nc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)no1 253396630 PUDJOIDCJPJJKT-GWCFXTLKSA-N 357.332 2.543 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 123295432 PFVKLZYAGIXQBO-UKRRQHHQSA-N 353.344 2.695 0 50 FFAA COc1ccc(-n2ccc(C(=O)Nc3c[nH]nc3-c3ccccn3)n2)cc1 155510695 HNUXFABBNBURTE-UHFFFAOYSA-N 360.377 2.918 0 50 FFAA CC(=O)c1ccc(Br)cc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 154134570 QXFFVPXSWJDDKM-PHIMTYICSA-N 370.243 2.666 0 50 FFAA C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC(c2nc[nH]n2)CC1 363363423 XTRGTAKOKVKRFU-HNNXBMFYSA-N 353.470 2.742 0 50 FFAA OC1(Cc2cccc(F)c2)CC(N[C@H](c2ccccc2)c2nc[nH]n2)C1 367291341 RZKXYEFZSWRJAP-QPIRBTGLSA-N 352.413 2.759 0 50 FFAA O=C(O)C1(Oc2ccc3ncccc3c2)CCN(c2ncccn2)CC1 77356175 MDAUZMJBXZLWRC-UHFFFAOYSA-N 350.378 2.527 0 50 FFAA O=c1cc(CN2CCCC[C@@H]2CCN2CCOCC2)[nH]c2ccccc12 77302652 OSEKGHLHWAVRKH-GOSISDBHSA-N 355.482 2.605 0 50 FFAA O=C(Nc1cc(C(=O)N2CCOc3cccc(F)c3C2)ccn1)C1CC1 375827745 YXKJVXIKKMVFIS-UHFFFAOYSA-N 355.369 2.604 0 50 FFAA O=C(O)c1ccnc(-c2ccnc(NCc3noc(C4CCCC4)n3)n2)c1 72476756 XHLAPBNYVLMREJ-UHFFFAOYSA-N 366.381 2.890 0 50 FFAA CNc1ncc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)cn1 77523849 IFNHKNUYCKCZAT-SFHVURJKSA-N 353.470 2.947 0 50 FFAA CCOc1ccccc1-c1nccn1Cc1ccc(S(N)(=O)=O)cc1 71415556 DCGDNWQEIQNOEN-UHFFFAOYSA-N 357.435 2.645 0 50 FFAA Cn1nc(C(=O)N2CCCN(Cc3ccccc3)CC2)c2c1CCCC2 449159337 ZJIHIKLLSOWYII-UHFFFAOYSA-N 352.482 2.647 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1CCCC[C@@H]1CCO 378449040 FDMFPHCGPUVZGR-WOJBJXKFSA-N 359.514 2.845 0 50 FFAA Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H]1C(=O)O 237838361 ZWRISVSBBQISLR-KRWDZBQOSA-N 366.421 2.508 0 50 FFAA CCOc1ccc(CCCC(=O)N2CCC3(CC2)CNC(=O)C3)cc1C 77485621 MNGDEGXLPFLUJN-UHFFFAOYSA-N 358.482 2.845 0 50 FFAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(CC(=O)Nc2cnn(C)c2)C1 71749281 QXAGOHWOFHRDGK-CQSZACIVSA-N 374.872 2.915 0 50 FFAA C[C@@H](NC(=O)CC(C)(C)C)c1nc(Cc2nncn2-c2ccccc2)no1 288983832 CCQJCSPSKPGWSH-CYBMUJFWSA-N 368.441 2.855 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(F)cc2nc(S)[nH]c12 130812553 KZCJKAJERYCTGZ-HWPZZCPQSA-N 367.471 2.775 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@H]1CCC(=O)N1)CC2 239667902 BRWWZUAPCDKTDE-VLIAUNLRSA-N 372.490 2.991 0 50 FFAA COc1c(F)cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1F 82145765 LBMVSRUSVZUHCS-UHFFFAOYSA-N 360.360 2.771 0 50 FFAA O=C(O)c1ccnc(C(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 263384509 DMGGWUAFTNXPPJ-INIZCTEOSA-N 358.369 2.740 0 50 FFAA O=C(O)[C@@H]1CCN(C(=O)CCc2cc(Cl)ccc2Br)C1 178264835 KAEAQLSUBAIYLU-SNVBAGLBSA-N 360.635 2.968 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(c1nc3ccc(Cl)cc3s1)C2 426428864 HBUPDXAJFMTZMV-UHFFFAOYSA-N 361.858 2.803 0 50 FFAA COCc1nc(NCCc2c[nH]c3ccccc23)cc([C@@H]2CCOC2)n1 426622934 LIEFMFJRNMEYKZ-OAHLLOKOSA-N 352.438 3.263 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2cncn2C)cc1 426571392 FIJFSYSKBWSYAY-IBGZPJMESA-N 350.422 2.942 0 50 FFAA Cc1noc(CSc2nnc(CN)n2-c2cccc(C(F)(F)F)c2)n1 426545454 STKGEWLBTMYHGD-UHFFFAOYSA-N 370.360 2.729 0 50 FFAA COC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 95508543 DEGKXEZCWIHPNO-CQSZACIVSA-N 364.442 2.579 0 50 FFAA CC/C=C/CC(=O)N1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 97743507 VJHDEWZDHAIWOP-WUUFJKRQSA-N 371.525 2.861 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@@H]1C[C@@H]21 230006748 VMTVUERGNJQNRB-SCVNYCPESA-N 354.402 2.660 0 50 FFAA Cc1cc(C)c(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1C 91616691 QUKRAIJBOZJIRB-CTNGQTDRSA-N 374.525 2.547 0 50 FFAA Cc1nccn1Cc1nnc(C2CCN(CCSC(C)C)CC2)n1C 96148996 BEJYSFWQCRDYCU-UHFFFAOYSA-N 362.547 2.689 0 50 FFAA COc1ccc([C@H](C(=O)O)N(C)Cc2ccccc2-n2cccn2)cn1 95370348 ILADZASZKVKWSR-GOSISDBHSA-N 352.394 2.534 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC3CCC3)C2)c(=O)[nH]1 95528566 NDXQRDLPMVIWMG-INIZCTEOSA-N 354.454 2.700 0 50 FFAA CN1CCC[C@@H](CCc2nc(Cc3cccc(Cl)c3)nn2CCO)C1 96130441 BPPIQSHHRVLDQL-HNNXBMFYSA-N 362.905 2.789 0 50 FFAA Cc1c(CC(=O)N[C@H]2CCOC2)c2c(n1Cc1ccccc1)CCCC2=O 95496769 MYYLBVOAWKCLAP-KRWDZBQOSA-N 366.461 2.811 0 50 FFAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(F)c1 91934409 KSTGJCOSPTYQPT-CYBMUJFWSA-N 366.408 2.981 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 96164811 IBIXGHVOOYEPLQ-IBGZPJMESA-N 365.408 2.704 0 50 FFAA Nc1nc(NCc2nc(-c3ccccc3Cl)no2)cc([C@H]2C[C@@H](N)C2)n1 244724214 MQAYLOCQSJMPEO-AOOOYVTPSA-N 371.832 2.579 0 50 FFAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO 253596659 UPTAPIKFKZGAGM-RVYNDWEGSA-N 350.499 2.683 0 50 FFAA C[C@@H](O)CCN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 268150984 KUAVKABCFLOSPF-SJLPKXTDSA-N 368.477 2.921 0 50 FFAA CCCc1cc(-c2ccc(C(=O)N[C@H](C)Cn3cncn3)cc2)nc(C)n1 534670874 FQNDPFBXKSQUGY-CQSZACIVSA-N 364.453 2.815 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@H]2CC(=O)N(c3cccc(C)c3)C2)s1 299802981 TVGPFQCSZPLDCS-ZDUSSCGKSA-N 358.467 2.727 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(=O)cc(C)n1C 299778468 QKJXNXUOJYNKGX-INIZCTEOSA-N 356.422 2.735 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)c2cccc(-c3cc(N)ncn3)c2)n1 299783801 YJYVMXSLRITDNT-UHFFFAOYSA-N 364.453 2.701 0 50 FFAA C[C@H](NC(=O)N1CCC(N2CCCC2)CC1)c1nc2ccccc2n1C 584891658 LTKXPVWZNQGFIH-HNNXBMFYSA-N 355.486 2.904 0 50 FFAA CCCO[C@H](C)CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 584896270 ASCTYSYTDOPIDS-OAHLLOKOSA-N 353.894 2.982 0 50 FFAA COc1ccc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1F 268935673 GDTXCQKSULLEAG-QGZVFWFLSA-N 357.381 2.805 0 50 FFAA C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(F)c(CO)c3)cn2)C[C@@H](C)O1 1875297736 BXEFCHSIWKBXHJ-CHWSQXEVSA-N 359.401 2.579 0 50 FFAA COC(=O)[C@@H](NCc1cccn(C(F)F)c1=O)c1ccc(F)cc1F 1875269923 DQSOJQOUBFPXOV-ZDUSSCGKSA-N 358.291 2.526 0 50 FFAA O=C(N[C@@H]1C[C@H]2C[C@H](CO)C[C@H]21)c1nc(-c2ccccc2)ncc1Cl 1875308743 UTAPKHJWERJEMB-ADSMDIBLSA-N 357.841 2.934 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1cc(OC2CCC2)ccn1 1875314767 RAKSWKKTBZMZCH-OLZOCXBDSA-N 370.453 2.699 0 50 FFAA O=C(c1n[nH]c2c1COCC2)N1CCC[C@H](c2c[nH]c3ccccc23)C1 1875316030 RJEFLQVTYYVNSJ-ZDUSSCGKSA-N 350.422 2.984 0 50 FFAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)[C@H]2COc3ccc(F)cc3C2)o1 1875312501 FEGQMNAJNULONH-CKNLXJGOSA-N 371.412 2.860 0 50 FFAA Cc1cccc(C)c1OC1CN(S(=O)(=O)N2CCC(C)(C)CC2)C1 952984460 UHCFXENZRQDRHE-UHFFFAOYSA-N 352.500 2.733 0 50 FFAA C[C@H](Cn1cncn1)C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 952868720 RWSPLPIJNKONQP-GFCCVEGCSA-N 368.268 2.570 0 50 FFAA Cc1nc2c(c(=O)n1C)CN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2 952974101 PWYNEMSASVPDIJ-MRXNPFEDSA-N 363.417 2.746 0 50 FFAA O=C(N1[C@H]2C=CC[C@H]1CC2)[C@@]1(O)CCc2cc(Br)ccc2C1 888100160 ADLJZMBCGKDDRH-XYJFISCASA-N 362.267 2.988 0 50 FFAA C[C@H]1CN(C(=O)C2(c3ccccc3)CCN(C)CC2)C[C@]1(O)C1CCC1 1565508805 IDZSBXKNRFQWLF-HTAPYJJXSA-N 356.510 2.660 0 50 FFAA CCCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)O 170592113 QOZOFHGPWOJWST-DLBZAZTESA-N 360.454 2.689 0 50 FFAA COc1ccc(NC(=O)Cc2cccnc2)c(I)c1 170614749 PEIDYVMOHLCICK-UHFFFAOYSA-N 368.174 2.876 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccccc2)C1 222043361 RFXNQOSKFKQADW-MBOZVWFJSA-N 364.445 2.917 0 50 FFAA Cc1n[nH]c(NC(=O)Cc2ccc3c(c2)OCCO3)c1-c1ccncc1 225411464 YJZUUJMJLUCPRG-UHFFFAOYSA-N 350.378 2.733 0 50 FFAA CC(C)OCCS(=O)(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 188342215 BALITWAMJZJXEM-CJNGLKHVSA-N 361.891 2.857 0 50 FFAA CC[C@H](C(=O)O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 191425200 JTWDIXPJHNAQBI-LLVKDONJSA-N 351.756 2.739 0 50 FFAA O=C(Nc1ccc(N2CCCC2)nc1)N[C@H]1CC(=O)N(c2ccccc2)C1 195160722 GEEYTPFHRWNAST-INIZCTEOSA-N 365.437 2.609 0 50 FFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)CC2(C)COC2)s1 1506431698 VXXBWGYTZZOSEL-UHFFFAOYSA-N 356.469 2.677 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3c(C)nn(-c4ccccc4)c3C)C[C@H]2O)n[nH]1 1529150743 ALMSTXYHAAUNBR-DYESRHJHSA-N 365.481 2.556 0 50 FFAA CC(C)SCC(=O)N1CCCN(C(=O)c2ccc(Cl)cn2)CC1 1704326103 WTXQPSNUTIGUCX-UHFFFAOYSA-N 355.891 2.551 0 50 FFAA Cc1ccccc1[C@@]1(O)CCN(c2ncccc2C(=O)N2CCCC2)C1 1704300083 UBACCPNWEQXDPZ-OAQYLSRUSA-N 351.450 2.724 0 50 FFAA O=C(O)c1n[nH]cc1CN1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704305328 PIFBUSNVHAIQAA-UHFFFAOYSA-N 366.421 2.653 0 50 FFAA COc1ccc(-n2cc([C@@H](C)NC(=O)c3ccc4c[nH]nc4n3)cn2)cc1 1775979025 SALQZLAHVIFKKL-GFCCVEGCSA-N 362.393 2.643 0 50 FFAA O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1cc2sccc2[nH]1 11952220 CTSGCHJSRZXJOV-ZDUSSCGKSA-N 356.451 2.516 0 50 FFAA CN(CCCN1CCCC1)c1nc2nonc2nc1NCc1cccs1 12303803 REIAILOLIJJXBL-UHFFFAOYSA-N 373.486 2.609 0 50 FFAA Cc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)cc1 19642844 KXYWXIRPXBXRDK-UHFFFAOYSA-N 364.449 2.929 0 50 FFAA COC(=O)C[C@H](c1ccccc1Cl)c1c(O)n2ccccc2nc1=O 205975810 ZEFDTADPADDORD-GFCCVEGCSA-N 358.781 2.749 0 50 FFAA COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1C(=O)N[C@@H](C)c1nnc(C)s1 1857528910 WNCBSMWLMFIBIF-LWGAZXOISA-N 359.451 2.773 0 50 FFAA O=C1CC2(CCN(C(=O)C3(c4ccccc4)CCCCC3)CC2)OCCN1 1857685142 PIUFRYPZADGRIJ-UHFFFAOYSA-N 370.493 2.786 0 50 FFAA CCCC[C@@H]1CN(CC(=O)NCc2ccccc2OC)C[C@H](C2CC2)O1 1857735682 GPBIAXJFGCGQLJ-UYAOXDASSA-N 360.498 2.981 0 50 FFAA COc1ccc(Cl)cc1CN1CCN(C(=O)c2n[nH]c(C)c2C)CC1 330792896 BWONHGJUJJGNPF-UHFFFAOYSA-N 362.861 2.647 0 50 FFAA CNC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 237102029 XCGAXXWLCWOAPR-UHFFFAOYSA-N 356.797 2.731 0 50 FFAA O=C(NC1(C(=O)O)CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 237970845 LHDNZZPUQNNEBH-UHFFFAOYSA-N 374.824 2.677 0 50 FFAA O=C(N1CC[C@H](n2cncn2)C1)C1(c2ccc(Br)cc2)CC1 364491582 CYIKNHJKCVVTBX-AWEZNQCLSA-N 361.243 2.546 0 50 FFAA O=C(NC[C@H]1CCCO1)c1cnn(Cc2ccccc2)c1Br 821162791 UFFNWEXJCJWFHT-CYBMUJFWSA-N 364.243 2.603 0 50 FFAA CCn1nc(C2CCOCC2)nc1-c1ccc2nnc([C@H](O)C(C)C)n2c1 2100473512 OHFYFPVUVHZSRR-MRXNPFEDSA-N 370.457 2.591 0 50 FFAA COc1cc(F)c([C@H](N)C(=O)NCC2(CC(=O)O)CCCCC2)c(F)c1 2325829174 BHDZQLVRMMPQHD-INIZCTEOSA-N 370.396 2.515 0 50 FFAA CCCN(C)C(=O)[C@@H]1CO[C@H](CNC(=O)C[C@@H]2CCCc3ccccc32)C1 2332237916 QMMHBHBSKOLNSU-FHWLQOOXSA-N 372.509 2.886 0 50 FFAA CCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1 704895 UMSMNVJKWKIQLI-UHFFFAOYSA-N 352.188 2.612 0 50 FFAA CC(C)COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 850621 ACWSKMLQAVHKOD-UHFFFAOYSA-N 367.357 2.998 0 50 FFAA O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 1074951 HEKSXGPNTWEVKF-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C 1132955 DXFXBHQWWOALCT-UHFFFAOYSA-N 360.479 2.549 0 50 FFAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(N)=O 2850421 UPOAROQHRTVISR-JTQLQIEISA-N 363.211 2.954 0 50 FFAA Cc1cnc(CN2CCC[C@@]23CCCN(CCc2ccccc2)C3=O)cn1 2356148162 KCAKCVCKHMXFER-JOCHJYFZSA-N 364.493 2.985 0 50 FFAA CCc1ccccc1NC(=O)N1CCC[C@@]12CCCN(CCOC)C2=O 2356151634 QYLFXQOIQGNMAQ-HXUWFJFHSA-N 359.470 2.884 0 50 FFAA COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 4867926 XRSPUTADLMZYBM-CYBMUJFWSA-N 353.378 2.829 0 50 FFAA CC(C)N1CCC(N2CCN(C/C=C/c3ccccc3)C[C@H]2CCO)CC1 105279034 OSXYHEPJAQKDCX-MFJULSPGSA-N 371.569 2.941 0 50 FFAA CCCCCC(=O)CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC(=O)CCCCC(=O)O 27640549 KBHLXKOKUVJZIS-AKHDSKFASA-N 370.486 2.878 0 50 FFAA in-vitro O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1cccc(F)c1 100313734 IJDFHEYRAGRDQF-OAHLLOKOSA-N 358.394 2.830 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2ccc(O)cc2)C[C@H]1CCO 104498103 ZXJKWGFGMIQADX-HXUWFJFHSA-N 370.493 2.860 0 50 FFAA C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 248778202 VGNQIMMCTUMWFN-ROUUACIJSA-N 372.513 2.921 0 50 FFAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(=O)[nH]c2)c1 55153854 PFXABEOOYOWJQT-UHFFFAOYSA-N 363.373 2.888 0 50 FFAA CCNc1cc(N2CCN(C(=O)CCCc3ccccc3)CC2)nc(C)n1 67613639 CULGMIDHQHHFHT-UHFFFAOYSA-N 367.497 2.888 0 50 FFAA CCCn1c(=N)n(C[C@@H](O)COc2ccccc2OC)c2ccccc21 20326866 ROYMNRWZMDYSJP-OAHLLOKOSA-N 355.438 2.781 0 50 FFAA Cc1noc(C2CCN(C(=O)NC[C@]3(N(C)C)CCC[C@@H](C)C3)CC2)n1 141082086 LEWJRYOIHMEXOZ-KUHUBIRLSA-N 363.506 2.778 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(F)cc2)CC1 13736858 IGKANFRGOYQKNF-UHFFFAOYSA-N 371.412 2.947 0 50 FFAA CC(C)n1cc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cn1 23543099 LGSBABYSVWYZOA-UXHICEINSA-N 354.498 2.633 0 50 FFAA CCOC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 20027259 XSAHSIVQAXEDMZ-UHFFFAOYSA-N 350.806 2.664 0 50 FFAA COc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 23129144 AHAIDACEGBBQKG-FQEVSTJZSA-N 358.457 2.903 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCCCC[C@H]2C(=O)O)CC1=O 252515787 NMCNKJXDSDPABR-VDHUWJSZSA-N 372.465 2.746 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3cccn3)ncn2)c(C)c1 67603786 SNPLFWWCEBAMIH-UHFFFAOYSA-N 351.414 2.513 0 50 FFAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 25530042 XLZWNKCRORMXKQ-ZDUSSCGKSA-N 369.440 2.983 0 50 FFAA O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1coc(=O)c2ccccc12 424826054 FIVXPENIVSBZHX-CABCVRRESA-N 368.433 2.704 0 50 FFAA O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCC[C@@H](O)C1 173061702 MMGMYFMGQCQAQS-SNVBAGLBSA-N 351.756 2.539 0 50 FFAA O=C(O)COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccsc2)cc1 324207247 OLMCZLCGELOQKD-OAHLLOKOSA-N 367.448 2.737 0 50 FFAA Cc1oc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1C(=O)O 328595465 VSBPCCNOHNVNBQ-GQCTYLIASA-N 357.362 2.729 0 50 FFAA COc1ccc2c(c1)N(C(=O)C[C@H](C)NC(=O)C1CCCCC1)CCO2 173211968 VUVMHFIDEKDYAY-AWEZNQCLSA-N 360.454 2.896 0 50 FFAA NC(=O)COc1cccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 173291259 VQFCHAIXZWQYSS-SFHVURJKSA-N 371.412 2.737 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccc([C@@H]3CCCO3)s1)C2 72168123 AIGQQUHMWLTCRA-INIZCTEOSA-N 361.467 2.829 0 50 FFAA COc1ccc(C[C@@H]2CC[C@H](CN(C)C3CCN(C)CC3)O2)cc1F 72411743 ANFRTDMBZKMKKW-ZWKOTPCHSA-N 350.478 2.950 0 50 FFAA Cc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)n1 77380347 RBYGGKVJGALWNB-ZDUSSCGKSA-N 370.432 2.514 0 50 FFAA O=C(O)c1[nH]cnc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 216429060 KXAHMPQHYQJDFC-LLVKDONJSA-N 359.773 2.615 0 50 FFAA CC(=O)N1C[C@H](CCC(=O)Nc2c3c(nn2C)CCC3)c2ccccc21 364091927 JQRZGTOEVQIFCH-AWEZNQCLSA-N 352.438 2.778 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 31129138 PGRDQYUHCBOWDY-HNNXBMFYSA-N 374.404 2.823 0 50 FFAA O=C(O)CC[C@@]1(CCC(=O)N2CCC(c3ccccc3)CC2)CCC(=O)N1 218457442 QQNDSDYEZAZFEV-NRFANRHFSA-N 372.465 2.686 0 50 FFAA COC(=O)c1ccc(CNc2nc(-c3cccnc3)nc3c2cnn3C)cc1 72173875 XYBSONMQUAPQJM-UHFFFAOYSA-N 374.404 2.824 0 50 FFAA CC(=O)c1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)c1 332629375 DJTLSBURSRSXCY-DSSZZKGTSA-N 358.438 2.961 0 50 FFAA CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)Nc4nccs4)C3)nn12 32095231 BSGBTYKMPLSTGK-LBPRGKRZSA-N 371.470 2.559 0 50 FFAA COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@@H]1[C@H]3Cc4ccccc4[C@H]31)C2 332774770 BZZYHXLVZHYNEJ-OBZYLPMUSA-N 364.445 2.884 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 219031499 JSXKFVFEOIVPOE-MRXNPFEDSA-N 352.394 2.748 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)cc(C)n1 77471968 PKVJPACZHCLSSH-UHFFFAOYSA-N 368.481 2.850 0 50 FFAA Cn1ncc2c(NCCCNc3cccnc3)nc(-c3cccnc3)nc21 72174470 GDHXNBJLGUJDLG-UHFFFAOYSA-N 360.425 2.734 0 50 FFAA O=C(O)C[C@H](NC(=O)C1CCOCC1)c1ccc(Br)cc1 238202081 BKBQVFXSLUZUHU-ZDUSSCGKSA-N 356.216 2.508 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCCC[C@H]1CCn1cccn1 72155974 OHHWTFVFALTFJA-INIZCTEOSA-N 350.426 2.549 0 50 FFAA CCN1CCN(C2(c3nc(CSC)no3)Cc3ccccc3C2)CC1 72169999 QTLLMCCSFTXBPR-UHFFFAOYSA-N 358.511 2.564 0 50 FFAA COc1ccc(Nc2nc(C(=O)N[C@H]3CCCn4ncnc43)cs2)cc1 176134319 HOGBIRAVVWPIBV-ZDUSSCGKSA-N 370.438 2.752 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)C(C)(C)N3CCOCC3)[nH]c2c1 82098591 SZDXQHCDZQCLOY-KRWDZBQOSA-N 356.470 2.646 0 50 FFAA CCOc1ncccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 223788390 CLTZHLQRUJOFFB-MSOLQXFVSA-N 356.422 2.584 0 50 FFAA CN1CCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)c2cnccc21 289066218 GPPMGMFUJYRLBV-UHFFFAOYSA-N 363.405 2.789 0 50 FFAA CN(C)C1(CNC(=O)N2CCC(O)(c3ccccc3)CC2)CCCCC1 426510486 WJUUGICHXVXIIJ-UHFFFAOYSA-N 359.514 2.944 0 50 FFAA CC(=O)c1cc(Cc2nc(-c3c(C)ncc4c3CCNC4)no2)cs1 20864766 PRPAEXTXKSUVJB-UHFFFAOYSA-N 354.435 2.941 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)NCc3nnc(-c4ccccc4)o3)C2)no1 426495860 TXADOBJFOWLZLK-CQSZACIVSA-N 368.397 2.517 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCC[C@H]1c1n[nH]c(C)n1 426444843 BYNJWKKSNMAGND-INIZCTEOSA-N 352.442 2.779 0 50 FFAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 223234883 KNGZRVXAFWBXKQ-JSORRYRYSA-N 370.428 2.520 0 50 FFAA O=C1[C@H]2[C@H](C(=O)N1c1ccn(Cc3cccc4ccccc34)n1)[C@H]1CC[C@H]2O1 239377805 OCSNGTVPEMSZBP-HNBVOPMISA-N 373.412 2.751 0 50 FFAA CN1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@]12CCNC(=O)CC2 91707441 SFOBVRHKCPYXFJ-KRWDZBQOSA-N 373.394 2.631 0 50 FFAA N[C@H]1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)C1 237916340 YXKLYAIGHHOXRM-IBDYFIJFSA-N 373.460 2.566 0 50 FFAA Cc1ccncc1C(=O)N1CC[C@@]2(O)CCN(C3CCCCC3)C[C@H]2C1 91574104 ZDVUKKYGIZVYKQ-UWJYYQICSA-N 357.498 2.622 0 50 FFAA COc1ccccc1OCCCN1CCN(Cc2ccccc2)C[C@H](O)C1 95513317 RUDYVQCIOZOSJS-HXUWFJFHSA-N 370.493 2.643 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@H](c3ccccc3C)N(C)C)CC2)no1 95508412 IRWUCUMZPPAUPN-IBGZPJMESA-N 356.470 2.770 0 50 FFAA Cc1c(Cl)cc(C(=O)N(C)C2CCS(=O)(=O)CC2)cc1Cl 95357781 TUJQKSMQHMFRQB-UHFFFAOYSA-N 350.267 2.951 0 50 FFAA Cc1c(CC(=O)N[C@@H]2CCOC2)c2c(n1Cc1ccccc1)CCCC2=O 95496768 MYYLBVOAWKCLAP-QGZVFWFLSA-N 366.461 2.811 0 50 FFAA O=C(NCc1ccc(F)cc1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 92097467 QBGDUMXOXGIKCZ-UHFFFAOYSA-N 359.445 2.902 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCN(Cc2ncccc2C)CC1 91664579 PVILQHOYGAYZDG-UHFFFAOYSA-N 355.486 2.688 0 50 FFAA O=C1C[C@@H](c2nc(-c3ccc4nc[nH]c4c3)no2)CN1Cc1cccnc1 96130548 PMKSIFFSCOXZNM-CQSZACIVSA-N 360.377 2.524 0 50 FFAA Cc1ccc(C)c2c(=O)cc(CN3CCCN(C(=O)C4CCC4)CC3)[nH]c12 92045784 GUAIBEFNMBSXOE-UHFFFAOYSA-N 367.493 2.979 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(CC(=O)NCc2ccco2)C1 91964567 DLCXUIRERSNKNJ-OAQYLSRUSA-N 370.449 2.969 0 50 FFAA O=C(Cc1cn2ccsc2n1)N1CC[C@H](Cc2ccc(CO)cc2)C1 95361183 RSRUDZMEHQYHEN-MRXNPFEDSA-N 355.463 2.522 0 50 FFAA Cc1nc(CN2CCC(C(=O)Nc3cccc(N(C)C)n3)CC2)cs1 183936699 GXZKVINGSWLEGY-UHFFFAOYSA-N 359.499 2.763 0 50 FFAA Cn1cc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cn1 299542993 BGPSKNXAPXZBIS-MRXNPFEDSA-N 352.360 2.813 0 50 FFAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2c(c1)CCO2 299739741 ANOYKCGLURIVKB-KRWDZBQOSA-N 350.374 2.529 0 50 FFAA CCc1ccc(NC(=O)c2ccc3c(c2)CN(CCOC)C(=O)CO3)cc1 263618632 USNYYTUWQIOQFW-UHFFFAOYSA-N 368.433 2.869 0 50 FFAA Cc1n[nH]c(C)c1Nc1ncc(CN2CCN(c3ccccn3)CC2)s1 39500131 ISVDGNZEWBVQCC-UHFFFAOYSA-N 369.498 2.944 0 50 FFAA Cc1ccc(NC2(C(=O)N3CCC4(CC3)CNC(=O)C4)CCCC2)cc1 65526316 HJXPLSWPILUWDD-UHFFFAOYSA-N 355.482 2.848 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)Nc2ccc3c(c2)OCO3)CC1 72169578 VQADTGMZBWMHJY-UHFFFAOYSA-N 368.437 2.939 0 50 FFAA CCN(C(=O)Nc1cccnc1Oc1ccccc1F)[C@H]1COC[C@@H]1O 299791375 DUZLXIDHISVDHJ-GJZGRUSLSA-N 361.373 2.627 0 50 FFAA Fc1cc(F)c(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1F 299782542 MQIIZUAFYJPITO-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299770847 RNHKCQGAIJPUSY-KRWDZBQOSA-N 363.479 2.877 0 50 FFAA Cc1csc2nc(CNC(=O)C3(c4ccccc4)CCN(C)CC3)cn12 299777081 ILTNWBFMHGCZSM-UHFFFAOYSA-N 368.506 2.984 0 50 FFAA Cc1cc(S(=O)(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)c(C)s1 825312871 NLSQLYACQBUOGP-ZDUSSCGKSA-N 368.480 2.541 0 50 FFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCCC2)c(Cl)c1 826846905 HVDJSPDOMRVFLA-KRWDZBQOSA-N 371.868 2.767 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)C2(CCCCC2)O1 670434043 VQYSXDADWKBFMN-INIZCTEOSA-N 353.422 2.755 0 50 FFAA O=C(N=[S@]1(=O)CCC[C@]2(CCCN2)C1)c1cnc(-c2ccco2)s1 1875393605 QFOCWINLVYNHQU-GYCJOSAFSA-N 365.480 2.927 0 50 FFAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc2n[nH]cc2c1Cl 1875323277 DBJIPNBUKRMNQM-LBPRGKRZSA-N 370.844 2.653 0 50 FFAA CC(C)c1ccc(-c2noc(CN3CCNC[C@@H]3c3ccnn3C)n2)cc1 1875298707 KXBVAIWRSZRTAR-GOSISDBHSA-N 366.469 2.740 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@H]1C(F)(F)F 886036508 DIIFYPXISACJNY-ZFWWWQNUSA-N 353.344 2.840 0 50 FFAA CN1C(=O)CC[C@H](CNCc2cccc(C3CC3)c2)[C@H]1c1nccn1C 888078855 AZWBRNNPGRINFO-QUCCMNQESA-N 352.482 2.997 0 50 FFAA CC1(C)CCCN1C(=O)[C@@H]1CN(Cc2ccnc(N)c2)C[C@H]1C(F)(F)F 888103335 VXZSBTJIHCZNNP-ZIAGYGMSSA-N 370.419 2.675 0 50 FFAA O=C(N[C@H]1CCCc2sccc21)c1c[nH]nc1I 897412601 YWNQRZXBLCXGIY-VIFPVBQESA-N 373.219 2.883 0 50 FFAA O=C(C1CCOCC1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565514780 IUXDVNXBACIFBV-DBXWQHBBSA-N 357.450 2.910 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1 186641670 UHADZXSPIKYEKY-UHFFFAOYSA-N 372.387 2.645 0 50 FFAA O=C(CCC1CCN(Cc2cccc3nonc23)CC1)NC[C@H]1CCCO1 12026653 GPVDUEBDFIAXIK-QGZVFWFLSA-N 372.469 2.510 0 50 FFAA Cc1ncsc1CCNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 12459825 UFQWRSDDQSCYAT-UHFFFAOYSA-N 361.858 2.717 0 50 FFAA CC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc1 12744735 YOBAXNCKOLUSMP-LJQANCHMSA-N 355.413 2.675 0 50 FFAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(C)c1 19222866 ZRVQFZDLSRGTJB-KRWDZBQOSA-N 369.513 2.786 0 50 FFAA Cc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)n1 169777317 NIJZWNJLHZPBDM-UHFFFAOYSA-N 366.425 2.731 0 50 FFAA O=C1OC[C@]2(Cc3ccccc3)CN(c3cnc4ccccc4n3)CCN12 1857689713 VWKZMBVXFXWHER-NRFANRHFSA-N 360.417 2.884 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)NCCc1scnc1C 1857701508 MAICUZMXDSMNEI-UHFFFAOYSA-N 359.480 2.900 0 50 FFAA O=C1CCc2cccc(c2)Oc2cccc3c2OC[C@@]2(CNC[C@H]32)CN1 1857725282 ZOLPAHCOFQPQQJ-DYESRHJHSA-N 350.418 2.607 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)nn1C 423609280 LFHRRCGVHZCKPX-ZDUSSCGKSA-N 353.253 2.822 0 50 FFAA Cc1cc(C(=O)N[C@H](CCO)C2CCOCC2)c(C)cc1Br 330909005 UHYYOACUOADGSZ-MRXNPFEDSA-N 370.287 2.973 0 50 FFAA CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCC3CCNCC3)c2)n1 237110477 FTPPBQGKPBJOHJ-UHFFFAOYSA-N 354.454 2.718 0 50 FFAA O=C(c1cn(C2CCNCC2)nn1)N1CCC[C@H]1Cc1ccccc1Cl 237893439 GQPNSXYJEXDUQP-INIZCTEOSA-N 373.888 2.703 0 50 FFAA O=C(O)CC1(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)CCCCC1 238091377 XQUFSWMAJBEIJX-CQSZACIVSA-N 363.433 2.731 0 50 FFAA CC(C)(C)C1CCC(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 128900854 PXWVYXQFYDRWSD-OXMFQJKASA-N 372.509 2.762 0 50 FFAA O=C(c1cnc(-c2ccccc2Cc2ccccc2)cn1)N1CCNCC1 2325857338 XWTPSGIQOTYQIM-UHFFFAOYSA-N 358.445 2.780 0 50 FFAA COCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)c(C(=O)O)c1 2325875672 ZMNAXGLYUKCDLT-UHFFFAOYSA-N 369.826 2.630 0 50 FFAA Cc1c(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)oc2ccc(F)cc12 898237723 MDUHQPIXIBMAQM-SNVBAGLBSA-N 357.341 2.711 0 50 FFAA COc1ccc(NC(=O)Cn2cnc3cc(Cl)ccc3c2=O)c(OC)c1 629158 RBQFCZYKFCDCOP-UHFFFAOYSA-N 373.796 2.706 0 50 FFAA CCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1 1067616 CARZJCPXLFDJSG-UHFFFAOYSA-N 367.413 2.971 0 50 FFAA CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1183153 MSGMONYUTBYKQD-UHFFFAOYSA-N 362.407 2.623 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(C)n1 1299185 VNRCJQACNSCQTJ-UHFFFAOYSA-N 372.406 2.740 0 50 FFAA O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCCC1 2502602 VMLLNXAXWANOTR-HNNXBMFYSA-N 368.474 2.629 0 50 FFAA O=C(Nn1cnnc1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 2868174 URCNYJXGRDEZKP-UHFFFAOYSA-N 350.769 2.926 0 50 FFAA COc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2981808 BGMBBKDBOWLNQV-UHFFFAOYSA-N 352.312 2.969 0 50 FFAA O=C(c1ccc2c[nH]nc2n1)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356163869 VGHSDBAJVIUTDJ-LUQKVYGDSA-N 362.433 2.718 0 50 FFAA O=C(CS(=O)(=O)c1cccc2nsnc12)Nc1ccccc1Cl 8600739 RSNJRHGXBOFHGV-UHFFFAOYSA-N 367.839 2.757 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cccc(C(=O)N(C)C)c1)C[C@@H](C)O2 172719622 LQIWTGCJXWRPCH-CYBMUJFWSA-N 354.406 2.825 0 50 FFAA O=c1n(Cc2ccc(Cl)nc2)nc([C@@H]2CCCNC2)n1-c1ccccc1 67872101 KUPOSWDRURSDLQ-OAHLLOKOSA-N 369.856 2.598 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@@H]2CCO)c(F)c1 22913129 GMNGYFNTUPAWNU-KRWDZBQOSA-N 362.445 2.805 0 50 FFAA O=C(c1ncccc1O)N1CCC(n2cc(-c3ccsc3)nn2)CC1 20996894 ZEBRBISULPDIPR-UHFFFAOYSA-N 355.423 2.585 0 50 FFAA CCc1cnc(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)CC2)nc1 67726173 JNCXUUDORGNOTE-UHFFFAOYSA-N 366.444 2.890 0 50 FFAA COc1ccc(NC(=O)N2CC[C@]3(CCCN(C)C3=O)C2)cc1Cl 67821842 BPIUEIICUBPLGV-QGZVFWFLSA-N 351.834 2.825 0 50 FFAA CCn1ncc(Br)c1C(=O)Nc1ccc(OC)c(OC)c1 1430380 LEKXYKXIQPEYLK-UHFFFAOYSA-N 354.204 2.935 0 50 FFAA CC[C@H]1CN(C(=O)Cc2ccccc2O)CCC(=O)N1Cc1ccccc1 71551830 HOKIWWIQUXLOEM-IBGZPJMESA-N 366.461 2.974 0 50 FFAA Cc1nnc(CN(C)CC(=O)N2C[C@H](C(C)(C)C)c3ccccc32)n1C 331498235 KDLNVDWBDZWLAU-INIZCTEOSA-N 355.486 2.732 0 50 FFAA Cc1nnc2ccc(-c3noc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)n3)cn12 333240265 WGBKTTXFJWDQAR-CQSZACIVSA-N 368.441 2.840 0 50 FFAA Cc1ccccc1-n1cc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)cn1 333268084 JZQUILAOSWCKAC-QUCCMNQESA-N 368.481 2.539 0 50 FFAA O=C(CCn1cncn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12297898 UPOOFJLQJMRLKF-HXUWFJFHSA-N 359.518 2.563 0 50 FFAA CCCc1ncncc1C(=O)N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71750895 YTLDPXQDJXWRTP-SFHVURJKSA-N 358.486 2.538 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1 156467051 VXRCNJGKRGVSFT-AWEZNQCLSA-N 361.829 2.960 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CC(=O)N(C3CCCCCC3)C2)c1C 72173838 IPVGJFJTNDJGRB-HNNXBMFYSA-N 359.470 2.888 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CCc3cc(O)no3)C2)c1 72435965 ONOSKTZYHPAXJB-CQSZACIVSA-N 360.410 2.639 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCCN1Cc1ccc(F)cc1 71575538 ULPWGXMGJCWRTP-IBGZPJMESA-N 356.445 2.988 0 50 FFAA CCN(C)Cc1cc2n(n1)CCN(C(=O)c1csc3c1CCCC3)C2 72418684 FKMOVIWRADLUBM-UHFFFAOYSA-N 358.511 2.931 0 50 FFAA CCO[C@H]1[C@H](NC(=O)c2cnccc2C)c2ccccc2C12CCNCC2 72169234 MDXSMBHCAWWCQL-UXHICEINSA-N 365.477 2.901 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)[C@]34CC[C@](C)([C@@H](O)C3)C4(C)C)CC2)nc1 71779925 HMSPXTUKILYZBN-WMQCIHAUSA-N 372.509 2.777 0 50 FFAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H]1Cn1cccn1 77488512 AOYWHPVMXOMUBU-INIZCTEOSA-N 351.410 2.557 0 50 FFAA Cn1cc(CN2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 72169705 PLSHJXPFMHNUHN-VAMGGRTRSA-N 358.436 2.761 0 50 FFAA C[C@H](Cn1cccn1)C(=O)N1CCC(Cc2cccc(C(=O)O)c2)CC1 72149439 OYTYPUGRIYVYID-OAHLLOKOSA-N 355.438 2.699 0 50 FFAA COc1ccccc1N1CC[C@H](CNC(=O)C[C@@H](O)c2cccc(F)c2)C1 245646408 UAGMJOFJVKEHBJ-DNVCBOLYSA-N 372.440 2.901 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc(=O)[nH]1 82109540 TZHQGTIJKJDVQF-OAHLLOKOSA-N 364.405 2.753 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)c1cc(C(F)F)n[nH]1 223070831 QIDAJNMIRMBWGU-ZEPSKSRBSA-N 363.364 2.524 0 50 FFAA CC[C@H]1COCCN1C(=O)c1cccc(-c2ccc(CC(=O)NC)cc2)c1 426621541 CHIDFNRXZUZPKY-FQEVSTJZSA-N 366.461 2.893 0 50 FFAA COCCN1CC[C@H](CNC(=O)c2ccc(-c3ccc(F)cn3)cc2)C1 426563210 HLEYNQRWLJRGSA-OAHLLOKOSA-N 357.429 2.586 0 50 FFAA CCc1cc(N2CCC(c3nnc(CN4CCCC4)n3CC)CC2)ncn1 82157805 DCJPSWLKGNQBPD-UHFFFAOYSA-N 369.517 2.630 0 50 FFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)no1 426517799 GPRZINFUZODEKB-MRXNPFEDSA-N 366.425 2.966 0 50 FFAA CCN(C(=O)c1cccc(-c2nc(OC)cc(OC)n2)c1)C1CCOCC1 426471060 VAZVDLQOQJGIPJ-UHFFFAOYSA-N 371.437 2.802 0 50 FFAA Cc1nccn1CCCSc1nnc([C@@H](N)Cc2ccccc2)n1C 426395120 FCPDMFPSHMXLNX-INIZCTEOSA-N 356.499 2.745 0 50 FFAA CN1CC[C@]2(CCCN(C(=O)c3ccc(-c4cccc(N)n4)cc3)C2)C1 426746346 UBVSYGBWRVRMTO-OAQYLSRUSA-N 350.466 2.889 0 50 FFAA CN1CCC(NC(=O)COc2ccc(Cl)cc2Br)CC1 47829219 HYBBZUYMHQSRFM-UHFFFAOYSA-N 361.667 2.692 0 50 FFAA Cc1ncc2c(c1-c1noc(-c3cccnc3)n1)CCN(c1ncccn1)C2 19940122 ZQULTACWVFYSER-UHFFFAOYSA-N 371.404 2.855 0 50 FFAA CSc1ccccc1C(=O)N1CCC(N2CCC[C@@H](C(=O)O)C2)CC1 221292589 YGEWZKVJGGRVLU-CQSZACIVSA-N 362.495 2.810 0 50 FFAA O=C(NCc1nnc(S)n1C1CC1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 163826438 HAGLTJVUNRYCLX-QQJLWGBUSA-N 350.463 2.826 0 50 FFAA CCCC[C@@H](CC(=O)O)NC(=O)N1CCN(Cc2cccc(F)c2)CC1 426583953 GZAWSJNWDLDUKK-KRWDZBQOSA-N 365.449 2.686 0 50 FFAA C[C@H](CCN1CCC2(CCC(=O)N(CC(=O)O)C2)CC1)c1ccccc1 91289428 CKSQJLYYTKWPEB-QGZVFWFLSA-N 358.482 2.969 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)cn1 91434557 OUNPXBIZBFFOTD-KRWDZBQOSA-N 365.437 2.781 0 50 FFAA O=C(CCc1nc2ccccc2s1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 96138118 WWGGTTPEBLUTIL-CYBMUJFWSA-N 368.462 2.718 0 50 FFAA CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239235380 VWFCAVRTTGYKGQ-YIYPIFLZSA-N 366.211 2.604 0 50 FFAA Cn1c(CO)nnc1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 97468040 YQNMWDYJQZGFPO-UHFFFAOYSA-N 354.376 2.706 0 50 FFAA Cc1nc(CCNC(=O)c2c[nH]nc2-c2cccc(F)c2)sc1C(=O)O 95363716 SIUPJHFCWRMIJR-UHFFFAOYSA-N 374.397 2.651 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1nc(C)cc(C3CCC3)n1)CC2 91997255 JZOKZECPKSOSPK-UHFFFAOYSA-N 372.513 2.908 0 50 FFAA CC(=O)Nc1cccc(NC(=O)CCN2CC(N3CCCC[C@H]3C)C2)c1 240499925 NOVPQUZEXJODGV-OAHLLOKOSA-N 358.486 2.532 0 50 FFAA O[C@H]1C[C@@H]([C@@H](Cc2ccncc2)NC2CCN(Cc3ccco3)CC2)C1 244899682 ZNXKTEXFKAGZHA-SLYNCCJLSA-N 355.482 2.611 0 50 FFAA COC1CCN(C(=O)c2ccc(-c3ccc(CNC(C)=O)cn3)cc2)CC1 534675272 DKMMNWXEXXLFHP-UHFFFAOYSA-N 367.449 2.636 0 50 FFAA COc1ccc2c(CN3CCC[C@@H](c4cc(=O)[nH]cn4)C3)cn(C)c2c1 32558342 BIYHTJLYTBAQMR-CQSZACIVSA-N 352.438 2.650 0 50 FFAA Cc1ccc(-c2cccc(NC(=O)NC3CCN(CC(N)=O)CC3)c2)cc1 299768918 NKVRUCVUYYRXCE-UHFFFAOYSA-N 366.465 2.733 0 50 FFAA O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCCC2(CCOCC2)C1 299756946 IXHJUUGQMJZNFF-OAHLLOKOSA-N 360.429 2.598 0 50 FFAA Cc1ccc(-n2cnnc2)cc1NC(=O)N(C)Cc1noc(CC(C)C)n1 299787209 VSNIOCBKVRVGOA-UHFFFAOYSA-N 369.429 2.821 0 50 FFAA O=C(NC[C@@]12CC[C@@](CO)(CO1)C2)c1cc(C2CC2)nc2ccc(F)cc12 1875299895 ZHIOUNISAVMBQI-RTWAWAEBSA-N 370.424 2.913 0 50 FFAA C[C@H](NC(=O)N1CCC[C@H](NC2CCOCC2)C1)c1ccc(F)cc1F 883028622 PEWKRLAOWQFGDJ-BBRMVZONSA-N 367.440 2.968 0 50 FFAA COc1cnc(C(C)(C)NC(=O)c2cc(Cl)nc(Cl)c2)nc1O 1350681845 WGYCLKWJUQJQPM-UHFFFAOYSA-N 357.197 2.558 0 50 FFAA COCCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 172231586 JXFXPLRLGWLWBK-QGZVFWFLSA-N 366.483 2.903 0 50 FFAA Clc1cccc2ccc(CN3CC[C@@H]4OCc5cnnn5[C@@H]4C3)nc12 1076061893 FFAFZLLGUOGENP-SJORKVTESA-N 355.829 2.826 0 50 FFAA Cc1ccc(CNC(=O)c2nnc(CN(CC(C)(C)O)C3CC3)s2)cc1 189919413 LOKKOWMIPOBHIE-UHFFFAOYSA-N 374.510 2.512 0 50 FFAA COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 225703549 JCBZSYFYRPNXTH-ZDUSSCGKSA-N 368.758 2.893 0 50 FFAA COC1(c2nc(C3CC3)no2)CCN(C(=O)c2cc(C(C)C)nn2C)CC1 225838627 GXERCMFNMYAIEH-UHFFFAOYSA-N 373.457 2.582 0 50 FFAA CO[C@@](C)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1F 192351349 IIFUYZLILIZZGA-OAQYLSRUSA-N 371.456 2.863 0 50 FFAA CCCNC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 1506414910 IUVNNFTXDYGXKN-UHFFFAOYSA-N 367.405 2.718 0 50 FFAA CC[C@]1(O)CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@H]1O 216440911 WQWSYHKCTDJIGZ-FPOVZHCZSA-N 373.424 2.753 0 50 FFAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1N1CCOCC1 1096067 DUDMDJGLKZRRBR-BQYQJAHWSA-N 357.435 2.643 0 50 FFAA CC(C)Cc1nc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)no1 1704335198 AWTMMHKAMIYKOE-VQIMIIECSA-N 366.465 2.852 0 50 FFAA Cc1nc(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)n(C)c1C 1775981355 QZISUXVKAJCKCC-ZDUSSCGKSA-N 350.426 2.830 0 50 FFAA Cc1nnc(SCCNC(=O)c2cn(C3CCCCCC3)nn2)s1 11661451 YLUQLVVXIXTAQS-UHFFFAOYSA-N 366.516 2.855 0 50 FFAA CN(CC1CCOCC1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 12076085 JOYAPNCJVDNLME-GOSISDBHSA-N 350.503 2.690 0 50 FFAA CC(C)OCCNC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 12205700 RUEZSMVFCGNCFC-UHFFFAOYSA-N 370.453 2.810 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4c[nH]nc4C)C3)C2)c1 12316333 VNFDGUFVMQYKNI-OAQYLSRUSA-N 368.481 2.855 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)Nc3cccc(C)c3C)C2)C1=O 14964730 CDKQCZHOSLFLMA-FQEVSTJZSA-N 359.470 2.796 0 50 FFAA O=C(c1cncc(Cl)c1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857715416 QNZVXLRATXGWKB-DNVCBOLYSA-N 367.836 2.959 0 50 FFAA O=C(CCc1cccc(O)c1)N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857724382 AKWVVVXBMQUGMT-IRFCIJBXSA-N 366.461 2.655 0 50 FFAA CCCc1nnc(N2C[C@@H](C(=O)NCC3(CC)CCC3)CC2=O)s1 1857730550 WATAUNOOUNOPHH-LBPRGKRZSA-N 350.488 2.540 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCS(=O)(=O)CC1 333115476 YOJCRDXXIURUBI-GXTWGEPZSA-N 362.278 2.790 0 50 FFAA COc1cc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)ccc1Cl 333293311 OXECXEHDHNKISR-GOEBONIOSA-N 352.862 2.707 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Br)cc1 238128027 WZSWPTNEPDCJCV-QWHCGFSZSA-N 356.216 2.650 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CC[C@](C)(O)[C@H](O)C3)cc(C)c2c1 253591715 HOUIALGGJWNACJ-XLIONFOSSA-N 374.506 2.678 0 50 FFAA CN1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)Cc2ccccc21 487610649 SRNAVLRMZKKFRV-UHFFFAOYSA-N 353.397 2.803 0 50 FFAA CC(C)n1ncc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)O)cnc21 262671998 XLJPKAAAGLAZHL-KRWDZBQOSA-N 364.405 2.664 0 50 FFAA NC(=O)c1ccc(N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nn1 163329107 LYJBXNIULAFBLR-SNVBAGLBSA-N 353.209 2.540 0 50 FFAA O=C(CCc1cnc[nH]1)NC[C@@H](Cc1cccc2ccccc12)C(=O)O 909263608 BFGRWMGKANDUGT-MRXNPFEDSA-N 351.406 2.555 0 50 FFAA O=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 4904608 CVTNJZWJVRGXRD-UHFFFAOYSA-N 353.827 2.658 0 50 FFAA Cc1cc(C(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)cc(O)n1 2325866766 ZEKRCCIAMFKOEE-UHFFFAOYSA-N 350.378 2.811 0 50 FFAA C=CC(=O)NCC(=O)N1CCc2nc(-c3ccccc3Cl)sc2C1 2325888976 GLXXFZLEDUABLO-UHFFFAOYSA-N 361.854 2.650 0 50 FFAA Cc1cccc(N2C(=O)S[C@H](N(CC(N)=O)c3cccc(C)c3)C2=O)c1 1318005 ATZZWUIKBMPOME-SFHVURJKSA-N 369.446 2.821 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCc2nc(C3CC3)nn2CC1 2356148305 PZQFKQBNTWILEL-UHFFFAOYSA-N 354.458 2.625 0 50 FFAA Cc1noc(C)c1CN1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356165966 RRNYAOGOVQEEGV-MBOZVWFJSA-N 361.486 2.552 0 50 FFAA O=S(=O)(N1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 4335350 CHOYGPSISRCUTP-UHFFFAOYSA-N 357.907 2.583 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)cc2)c1 6710239 ROHBYLBGSFBPID-UHFFFAOYSA-N 370.405 2.571 0 50 FFAA CC(C)(C)NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O 2178079 KFIRTSJFJJDQPG-UHFFFAOYSA-N 360.479 2.619 0 50 FFAA O=C(c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)N1CCCCC1 101724338 JRCRLEDEDRKABT-LAQRGFTBSA-N 352.434 2.848 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3cnc(N4CCCC4)s3)C2)C1 23340421 RMDOIZOCPLIULA-LJQANCHMSA-N 364.559 2.678 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3c(C)nc4ccc(C)cn34)CC2)nc1 67771268 ASOPAIVCJMBYBF-UHFFFAOYSA-N 364.449 2.778 0 50 FFAA O=C(c1cccc2nn[nH]c12)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 119127554 MBYRWVMUEHDURC-AWEZNQCLSA-N 373.420 2.763 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12316782 OAYFCCQJGILKBL-UHFFFAOYSA-N 351.385 2.626 0 50 FFAA O=C(O)c1cccnc1CN1CCN(c2nsc3ccccc23)CC1 65376397 QAIOIYOPPVAJQC-UHFFFAOYSA-N 354.435 2.712 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccccc1N1CCOCC1)C2 67852316 LZKROKZLOCBJCL-UHFFFAOYSA-N 366.465 2.767 0 50 FFAA COC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 253393109 QNZZXHVPCLPCPE-MRXNPFEDSA-N 373.236 2.755 0 50 FFAA O=C1Cc2cc(S(=O)(=O)Nc3ccccc3OCC3CC3)ccc2N1 150875368 CVIHRBFBEUWNBD-UHFFFAOYSA-N 358.419 2.771 0 50 FFAA CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)no1 328626447 LRUPVDCOSVQXJU-KBXCAEBGSA-N 359.474 2.687 0 50 FFAA COC(=O)N[C@@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67881624 JDUHHKLPAVKGJV-JTQLQIEISA-N 365.336 2.513 0 50 FFAA CC(C)C[C@H](NS(=O)(=O)c1cccs1)c1nnc2ccccn12 36360494 YPTYYJVOSXZDHD-LBPRGKRZSA-N 350.469 2.857 0 50 FFAA COCc1csc(NC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)n1 432947942 ISOHFYQVIOJOGN-VIFPVBQESA-N 353.366 2.863 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)c3csc(C(C)=O)c3)CC2)cc1 77323065 LWVFTILCMSRUJG-UHFFFAOYSA-N 372.446 2.558 0 50 FFAA COC(=O)c1c(NC(=S)N2CCCCC2)sc(C(=O)N(C)C)c1C 8275620 NQRNHYBWTKUKLD-UHFFFAOYSA-N 369.512 2.728 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCCN(CC2CC2)[C@H](C(C)C)C1 72164085 LYHKCNNDYFNKMA-IBGZPJMESA-N 359.514 2.516 0 50 FFAA COc1cc(F)c(C(=O)NC[C@@H]2Cc3ccccc3N(C)C2)cc1OC 368826517 QYYZZFBYNSVMRO-ZDUSSCGKSA-N 358.413 2.881 0 50 FFAA CC(=O)N1CCc2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2C1 77505399 BIULINCRBYTBCS-AWEZNQCLSA-N 358.463 2.631 0 50 FFAA Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCCC[C@H]1CCC(=O)O 237733385 GVSFPNGKCJHEAF-ZDUSSCGKSA-N 362.455 2.712 0 50 FFAA CCN(C)C(=O)c1ccc(N2CCCN(Cc3cccs3)CC2)nc1 77458336 BTUMMVUVTVVJLU-UHFFFAOYSA-N 358.511 2.947 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CC[C@H](C(=O)O)C3)c2C)cc1 237851820 SASKYXWQNVDWJZ-SFHVURJKSA-N 369.465 2.722 0 50 FFAA O=C(C[C@@H]1COCCN1C(=O)NC1CCCC1)NCCC1=CCCCC1 72470428 NIERRAMGTCRVFM-GOSISDBHSA-N 363.502 2.736 0 50 FFAA CNc1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cn1 377788226 XKCHZGKNRXPNQK-SFHVURJKSA-N 359.857 3.363 0 50 FFAA Cc1cnc2c(Cl)c(C(=O)NCc3snnc3C(C)C)nn2c1 215483441 VHAPMCXBFLNFQU-UHFFFAOYSA-N 350.835 2.596 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3cccc(C)c3C)ccc12 71376288 RWPNFJMFLDPAMF-UHFFFAOYSA-N 362.389 2.745 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(C(=O)CC(C)C)C3)CCC2=O)cn1 77470939 UXRZCYVNRJYRPS-FQEVSTJZSA-N 358.486 2.562 0 50 FFAA COCCC[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)sc2c1 77355722 NISOLSNVHXMEEP-LBPRGKRZSA-N 370.496 2.559 0 50 FFAA c1ccc(OCCN2CCN(Cc3cnc(-c4ccco4)nc3)CC2)cc1 72473994 YCZQGRLOQWPUQA-UHFFFAOYSA-N 364.449 2.933 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)cc2nc(S)[nH]c12 130812143 KZCJKAJERYCTGZ-QLJPJBMISA-N 367.471 2.775 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2cccnc2)C1 72426692 XGTIRJVBZMRAAC-SFHVURJKSA-N 354.502 2.576 0 50 FFAA CCn1ncc(NC(=O)Cn2ccc(-c3ccc(C(F)(F)F)cc3)n2)n1 48187662 PUJLKYJIINVHEP-UHFFFAOYSA-N 364.331 2.819 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3nccc4ccccc34)C2)C1 72146625 XRLBWLFMEGNOHN-OAQYLSRUSA-N 353.466 2.809 0 50 FFAA Fc1cccc(CN2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)c1 72139053 DQEDNLIHDNTJNT-UHFFFAOYSA-N 363.440 2.996 0 50 FFAA CC[C@H](C(=O)N(C)Cc1cnn(-c2cccc(OC)c2)c1)n1cccn1 72474662 OFTJEEYDXGEKHZ-GOSISDBHSA-N 353.426 2.687 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 82108209 BOJYIWVKSPPAOF-INIZCTEOSA-N 365.437 2.630 0 50 FFAA Cc1cccc(N2C[C@@H](C)N(C(=O)COc3ccc(F)cc3)CC2=O)c1 82092587 YDRMILGYGCPYDA-OAHLLOKOSA-N 356.397 2.777 0 50 FFAA COc1ccccc1CC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82099203 BZDRDVCMEHDQFI-UHFFFAOYSA-N 370.497 2.612 0 50 FFAA CN(C)C[C@@]1(CO)CCCN(C(=O)CSc2ccc(Cl)cc2)C1 221235375 PJZTXCNSCKCZNN-KRWDZBQOSA-N 356.919 2.595 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)C2)CN1CCc1c[nH]cn1 82148045 GTRQCNGJVJGNST-NRFANRHFSA-N 370.472 2.996 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 19939817 DIZJPTGSJGOKQF-UHFFFAOYSA-N 355.829 2.654 0 50 FFAA COc1cccc(N2CCN(Cc3ccc(OC)cc3OC)CC2=O)c1 82098055 HLUKKGGDGYVSQH-UHFFFAOYSA-N 356.422 2.561 0 50 FFAA O=C(NCC1(c2ccc(F)cc2)CCOCC1)NO[C@H]1CCCCO1 162333021 OQDWTTITVBJCGL-INIZCTEOSA-N 352.406 2.631 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCN(Cc2ccccc2)C1 193811921 ADFHBIRZQSTQPU-GOSISDBHSA-N 352.434 2.596 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccncc2)no1 95365835 DSWWTUREYZZEOA-ZDUSSCGKSA-N 354.414 2.671 0 50 FFAA CCc1ccccc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1 91410194 MWQISMPDAYJDRH-MRXNPFEDSA-N 358.482 2.927 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@H]1C1CC1 97757835 KSYDFWJGFVWHIR-RBUKOAKNSA-N 356.466 2.855 0 50 FFAA Cc1ccc(-c2nc([C@H](c3cccnc3)N3CCCC3)n(CC(=O)O)n2)o1 97679865 DMRWIKJIWHVNOE-KRWDZBQOSA-N 367.409 2.511 0 50 FFAA COc1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)cc1Cl 91657267 DHVNAHGHSNRRGY-UHFFFAOYSA-N 358.833 2.717 0 50 FFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3cncnc3)C2)c1 95509597 UUKDQMKHPAQPRN-QGZVFWFLSA-N 368.481 2.794 0 50 FFAA Cc1cc(N2CCC(NCc3n[nH]c4c3CCC4)CC2)nc(C(C)C)n1 95502583 GEWBAZAFIMSQQJ-UHFFFAOYSA-N 354.502 2.879 0 50 FFAA CSCc1nc(CNC(=O)C2CCN(C3CCOCC3)CC2)cs1 97654166 ZTIARSACDFUFAD-UHFFFAOYSA-N 369.556 2.513 0 50 FFAA CCn1c(Cn2ccnc2C)nnc1C1CCN(c2nccs2)CC1 92061989 CICQNZBLUJSZCB-UHFFFAOYSA-N 357.487 2.692 0 50 FFAA COc1ccc(NC(=O)N[C@H](C)Cc2cccnc2)cc1C(=O)N(C)C 96132970 VIHPRFLFDBTOTM-CYBMUJFWSA-N 356.426 2.545 0 50 FFAA CCc1cc(OCc2nnc([C@H]3C[C@H](NC(C)=O)C3)n2C)ccc1Cl 252571535 YCPSWGYONNCDFF-HDJSIYSDSA-N 362.861 2.992 0 50 FFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(c2nc(N)n[nH]2)CC1 614989398 KRNBXKORPMCYOB-CYBMUJFWSA-N 357.458 2.685 0 50 FFAA Cc1ccc2nc(CCNC(=O)N(CCO)Cc3ccco3)[nH]c2c1C 534632918 ABIOGSVSBBUWFS-UHFFFAOYSA-N 356.426 2.519 0 50 FFAA O=C1CCCCCN1CC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 55340965 JEQWURNLACXMDI-INIZCTEOSA-N 350.484 2.658 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3ccn(C(F)F)n3)CC2)o1 299791167 CBDNTWCILRZILX-UHFFFAOYSA-N 352.385 2.822 0 50 FFAA Cc1ccc(OC2CN(C(=O)[C@H](c3cccnc3)N3CCCC3)C2)cc1 299757059 LSYFJKBVULCJKI-FQEVSTJZSA-N 351.450 2.817 0 50 FFAA Cc1ccc2nc(CCCNC(=O)N3CC[C@H](CN(C)C)C3)[nH]c2c1C 584898895 BMHNFGBCIQITCM-MRXNPFEDSA-N 357.502 2.705 0 50 FFAA COC(=O)c1ccc(-c2ccc(C(=O)N3CCNC[C@H]3C)cc2)cc1OC 584884126 LRBDTDGSXCLSNR-CQSZACIVSA-N 368.433 2.583 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)N2CCCN(c3ccncc3C)CC2)n1 584894052 SMHBRSZLVCBKFM-SFHVURJKSA-N 370.501 2.686 0 50 FFAA O=C(NC[C@]12CCCC[C@@H]1N(c1nnc(C(F)F)o1)CC2)[C@H]1C[C@H]1F 1875405106 QXVLTPUJFCQQAS-QUIZZNFMSA-N 358.364 2.621 0 50 FFAA C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cccnc1 875003684 COCZKGJNLDENSU-QWRGUYRKSA-N 366.343 2.550 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)c2[nH]cc3c2CCS3(=O)=O)c1C 1875290606 SFHPTXCDXQJMAX-MRXNPFEDSA-N 358.463 2.939 0 50 FFAA O=C1C[C@H]2[C@H](CCCN2C(=O)[C@@H](c2ccccc2)n2cnc3ccccc32)N1 1875297108 CJJGLYWSIPFJRF-HFSMHLIXSA-N 374.444 2.505 0 50 FFAA CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC([C@H]3CCCN3)CC2)cc1 1875257990 LHKBOLZYYLIXOX-GOSISDBHSA-N 357.498 2.819 0 50 FFAA O=C(N=c1cc(-c2cccnc2)[nH][nH]1)c1ccc2c(c1)nc(O)n2CC1CC1 1875331933 GAACDUJXMGHFNT-UHFFFAOYSA-N 374.404 2.611 0 50 FFAA CCOc1ccc(OCC(=O)Nc2ccc(NC(=O)COC)c(C)c2)cc1 952966942 LJNMIEHBNRYLHD-UHFFFAOYSA-N 372.421 2.996 0 50 FFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2snnc2C(C)C)c1 952978845 LSFAWUUXUSYURP-UHFFFAOYSA-N 361.471 2.722 0 50 FFAA Cc1nc(CN2CC[C@H](Nc3cc(C(F)(F)F)ccn3)[C@@H](O)C2)cs1 1565512755 AUBRVCZZLIOHEX-KBPBESRZSA-N 372.416 2.913 0 50 FFAA CSCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)o1 1565512776 QHBCTCQAZVUEFB-KGLIPLIRSA-N 358.467 2.674 0 50 FFAA C[C@@H](C1CC1)n1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cn1 186420864 UDUYTJHDKOFGCA-AWEZNQCLSA-N 363.421 2.717 0 50 FFAA C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1n[nH]c2c1c(-c1ccccc1)nn2C 280157958 ODKPJYYGMRJPEC-YPMHNXCESA-N 351.410 2.907 0 50 FFAA COc1cccc2c(NC3CCN(S(=O)(=O)C4CC4)CC3)ccnc12 302529499 KWFOZOREZLYGDU-UHFFFAOYSA-N 361.467 2.612 0 50 FFAA c1ccc(-c2cc(N3CCC(Nc4cccnn4)CC3)n3ncnc3n2)cc1 110543269 XCJQAYUMQGWQEK-UHFFFAOYSA-N 372.436 2.662 0 50 FFAA Cc1cccc(-c2cccc(C(=O)N[C@@H](C)c3n[nH]c(CC(=O)O)n3)c2)c1 1506408815 QHIQTROUWSWUTP-ZDUSSCGKSA-N 364.405 2.898 0 50 FFAA Cc1nnc(SCC(=O)N(C)Cc2ccc3nsnc3c2)s1 1506409517 RHCXFMZPLVMYHQ-UHFFFAOYSA-N 351.482 2.602 0 50 FFAA CCn1nc(C)c(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)c1C 216356080 KBCOWWNPLBOQHP-SJORKVTESA-N 355.438 2.769 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3ccc(Cl)o3)CC2)n(C)c1C 1529118900 PSZPSWTYDUENRG-UHFFFAOYSA-N 350.850 2.631 0 50 FFAA O=C(c1cccnc1)N1CCCN(c2cccc(C(F)(F)F)n2)CC1 1772818946 BUJNPWZSBSCVDW-UHFFFAOYSA-N 350.344 2.848 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 11753783 IQTIRVJHJFIJMQ-ZDUSSCGKSA-N 352.381 2.588 0 50 FFAA COc1ccc(CCN2CCC(CN(C)Cc3nccn3C)CC2)cc1 11819295 NICFLCONLPCWQO-UHFFFAOYSA-N 356.514 2.815 0 50 FFAA O=C1CCN(C(=O)[C@@H]2CCCO2)CCN1Cc1ccc2ccccc2c1 12244849 JJVJKGJYNGOZKI-IBGZPJMESA-N 352.434 2.580 0 50 FFAA COCCN(C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)C(C)C 12592639 RQMRQAFLYHMDAK-UHFFFAOYSA-N 370.453 2.958 0 50 FFAA O=C(CCN1CCCO1)N1CCO[C@@H](Cc2cccc3ccccc23)C1 12596116 QPKUFXCETDRNOZ-IBGZPJMESA-N 354.450 2.637 0 50 FFAA COc1ccc(C(=O)[C@@H]2CCCN(CCCn3cccn3)C2)cc1OC 14963198 CJKRRGYGKQMKHV-QGZVFWFLSA-N 357.454 2.885 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)COC)C1 15075847 IXPPHASZMFHOLA-GOSISDBHSA-N 353.846 2.701 0 50 FFAA CC[C@H](C)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 19841951 ZKRNPUSPEKWIJP-ZDUSSCGKSA-N 355.276 2.771 0 50 FFAA CN(C(=O)Cn1c(CN2CCOCC2)nc2ccccc21)c1ccccc1 19939714 PNOKQGWLSSSNRV-UHFFFAOYSA-N 364.449 2.532 0 50 FFAA O=C(c1cc(C2CC2)nc2ccccc12)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668913 OXBBIMXNMKQFFP-LHSJRXKWSA-N 366.417 2.676 0 50 FFAA O=C(c1cncc(Cl)c1)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857680605 PXFQBCWPASSBHA-IBGZPJMESA-N 371.824 2.625 0 50 FFAA NC(=O)COc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1 1857688111 UNGOURPTJJWTCW-PKOBYXMFSA-N 368.481 2.679 0 50 FFAA COCCN(C)C(=O)C[C@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857706499 VZBZRXHWKHPJRN-CQSZACIVSA-N 361.442 2.548 0 50 FFAA Oc1nc(C2CC2)nc2c1CCC21CCN(c2noc(C3CC3)n2)CC1 1857716960 TWBWJEWAFXUZIM-UHFFFAOYSA-N 353.426 2.804 0 50 FFAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(CCc3ccc(O)cc3)C[C@]23CC[C@H]1O3 1857717868 CKQVFADRNLJESG-JZJXAQOMSA-N 372.509 2.576 0 50 FFAA Cc1ccccc1CN1C[C@@H]2[C@H](CNC(=O)C3CCC3)[C@H]3CC[C@]2(C1)O3 1857737342 IGTTXUNKWXDYTJ-GPQLQYNLSA-N 354.494 2.891 0 50 FFAA C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC2(CCCC2)c2c(F)cccc21 408032591 ZFSIEMYUARQTLL-CABCVRRESA-N 373.472 2.570 0 50 FFAA CN(C)c1nccc([C@@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)n1 328628195 NMWNGABLEIDPOW-KRWDZBQOSA-N 352.394 2.503 0 50 FFAA CC(C)[C@H]1OCCC[C@H]1Nc1ccnc(N2CCC(c3ncc[nH]3)CC2)n1 328640897 QHVUBXYAVYSECJ-SJLPKXTDSA-N 370.501 3.199 0 50 FFAA Cc1cccc(Br)c1C(=O)NCCc1nnc2n1CCCC2 331707180 INKCBRHEOAJGEK-UHFFFAOYSA-N 363.259 2.658 0 50 FFAA Cn1nc(C2CCCCC2)cc1NC(=O)c1n[nH]c2ccccc2c1=O 151016498 HLVPUMTUKDPCBU-UHFFFAOYSA-N 351.410 2.957 0 50 FFAA O=C(Cc1noc2ccccc12)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 154632236 SSYCDCKWHJSBHZ-HNNXBMFYSA-N 369.808 2.945 0 50 FFAA COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1C(=O)O 262850450 DCVSFYANVXODFD-CABCVRRESA-N 369.373 2.907 0 50 FFAA Cc1ncc(CS(=O)(=O)CCc2ccc3c(c2)OC(F)(F)O3)s1 849222619 AAKAJMUWCYEMQT-UHFFFAOYSA-N 361.391 2.931 0 50 FFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccccc2Br)C1 379262862 IHXPKWXLNXHCGA-GZMMTYOYSA-N 351.166 2.943 0 50 FFAA CCc1ccccc1-n1cc(C(=O)OCc2nc(C(C)(C)C)n[nH]2)nn1 842368876 AJEXKEQBDJDWBH-UHFFFAOYSA-N 354.414 2.602 0 50 FFAA Cc1cccnc1[C@@H]1CCN(C(=O)C[C@@H](O)c2nc3ccccc3[nH]2)C1 2325810715 ZNAMBRSBBZWZSC-RHSMWYFYSA-N 350.422 2.706 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@]34CCCC[C@H]3C4)[C@@H]2C)cn1 2325828794 RGOTZUCAIHRJFF-ASKNOMKYSA-N 358.486 2.593 0 50 FFAA Cc1cccc(C[C@@H](N)C(=O)N2CCN(c3cncc4ccccc34)CC2)c1 2325859035 LLQMOVVEBBVBHI-OAQYLSRUSA-N 374.488 2.762 0 50 FFAA NCC1([C@H]2CCCCN2S(=O)(=O)c2cccc3ncccc23)CCC1 903545680 AKILJUAPFMBUHA-GOSISDBHSA-N 359.495 2.907 0 50 FFAA COc1cc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)nc2ccccc12 2356143043 SBRYXFQXIOSASF-HXUWFJFHSA-N 370.449 2.780 0 50 FFAA CCCN1CCC[C@]2(CCCN2Cc2cc3c(cc2OC)OCO3)C1=O 2356150036 JAWINGSEKIOAJZ-FQEVSTJZSA-N 360.454 2.791 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cnccn3)C2=O)cc1 2356150320 WWGZJHBVPCRNBE-HXUWFJFHSA-N 350.422 2.587 0 50 FFAA Cc1nc2cc(-c3cnc4c(N5CC[C@H](O)C5)nccn34)ccc2s1 2356156567 IIXLNVISPDVERQ-ZDUSSCGKSA-N 351.435 2.885 0 50 FFAA Cc1cc(OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1Br 3664047 ZYERMKXMKAKYGV-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA O=C(Nc1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20437917 PFNISAWLYZORMN-UHFFFAOYSA-N 357.385 2.904 0 50 FFAA Cc1ccc2nccc(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)c2c1 20869364 JRZVJBSCKPPCPO-IBGZPJMESA-N 364.449 2.863 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCO[C@H](CCN)C3)c(C)o2)cc1C 67843170 HTLSBRNBMPDMCN-MRXNPFEDSA-N 359.470 2.825 0 50 FFAA CN(c1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1)S(C)(=O)=O 65363018 ORKQSZRGIATUCS-UHFFFAOYSA-N 370.833 2.805 0 50 FFAA Cc1ccc2c(c1)CCN(C(=O)NC1CCN(C[C@H]3CCOC3)CC1)C2 252483438 FBORSZUCSPGRRV-QGZVFWFLSA-N 357.498 2.564 0 50 FFAA CN(C[C@@H](O)COc1ccccc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 252569017 VTZVLKQNHIIZNC-AEFFLSMTSA-N 364.486 2.661 0 50 FFAA CCn1ccnc(N2CCC(NCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1=O 328622975 BQUPMSRSQWFVMQ-WMLDXEAASA-N 356.470 2.738 0 50 FFAA CN1CCC(N(Cc2ccco2)C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 124075155 JETDMXYLFPFICU-UHFFFAOYSA-N 367.449 2.901 0 50 FFAA CC(C)C[C@@H](O)C1CCN(C(=O)CCn2c(CO)nc3ccccc32)CC1 77425559 GKAJODBHGFDOKQ-LJQANCHMSA-N 373.497 2.564 0 50 FFAA CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccccc3)cc2)CC1 71754981 IVYHPJVPNFVQBN-UHFFFAOYSA-N 360.479 2.638 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 154021859 SUTJZTPPRFPBIK-OLZOCXBDSA-N 352.312 2.754 0 50 FFAA CCc1nccn1CC(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77419406 BEXHXNNRNBKLOO-NRFANRHFSA-N 374.529 2.723 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)[C@H](C)n3ccnc3)CC2)OC1=O 77393206 DBJCRCTXQXSVKF-INIZCTEOSA-N 362.474 2.838 0 50 FFAA COc1coc(COC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1=O 126383237 KDOFOHQNUXBHHG-UHFFFAOYSA-N 358.350 2.709 0 50 FFAA Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(-n3cccn3)n2)no1 378606558 DDACBSLLYPZRSA-HNNXBMFYSA-N 352.398 2.716 0 50 FFAA Cn1c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cc2ccccc21 219951137 HHNQTTBSZVHRRG-CRAIPNDOSA-N 351.406 2.540 0 50 FFAA Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72438565 LCPNAALZBOTGRD-QGZVFWFLSA-N 356.470 2.538 0 50 FFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](CC(N)=O)C2)cc1 377192076 WSGUMBZDWYWWTR-OAHLLOKOSA-N 350.418 2.564 0 50 FFAA O=C1NCCN(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)[C@@H]1c1ccccc1 246778500 ZEWJCQANHMKNTN-UAFMIMERSA-N 361.445 2.598 0 50 FFAA O=C(CCCN1CCOCC1)N1CCC[C@@H](COc2ccccc2F)C1 77319891 UPEGJXFVKXXIKM-QGZVFWFLSA-N 364.461 2.556 0 50 FFAA COCc1ncc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)s1 285697105 SDSSAUIQCKZYEY-INIZCTEOSA-N 359.495 2.584 0 50 FFAA O=C(N[C@H]1CC[C@H](Nc2nccc(-c3ccncc3)n2)C1)c1cccnc1 72140453 XZACVIVOGORPSQ-IRXDYDNUSA-N 360.421 2.697 0 50 FFAA C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NC1CCN(Cc2ccncc2)CC1 176055252 IJKKPTWYHMLZIN-VGOFRKELSA-N 367.493 2.717 0 50 FFAA Cc1ccc(C(=O)O)c(N2CCC(Oc3ccccc3C)(C(=O)O)CC2)n1 82157034 AVYWTHWKCAEDSW-UHFFFAOYSA-N 370.405 2.899 0 50 FFAA C[S@](=O)Cc1ccccc1NC(=O)N1CCC2(C1)Oc1ccccc1O2 288849932 OGPFWJYIIFLKEJ-SANMLTNESA-N 372.446 2.970 0 50 FFAA C[C@](O)(CNCc1ncc(C2OCCO2)s1)c1ccccc1Cl 290049332 JOBWATHOPBAFRT-INIZCTEOSA-N 354.859 2.839 0 50 FFAA Cc1nnc(-c2ccc(NC(=O)N(C)CCCc3nccn3C)cc2)o1 426596415 AIKJVAKYFCFZSZ-UHFFFAOYSA-N 354.414 2.875 0 50 FFAA CN(C(=O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C1CCOCC1 426428304 TVKNBOJIVSQBLJ-UHFFFAOYSA-N 363.421 2.785 0 50 FFAA C[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccn(C)n1 20616979 LVSGLCXTXXQSJJ-SSDOTTSWSA-N 357.361 2.878 0 50 FFAA Cc1noc(C)c1CN(C)C(=O)NCCc1nc(Cc2ccccc2)no1 426404393 UNZHKEGASOJINI-UHFFFAOYSA-N 369.425 2.649 0 50 FFAA C[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)[C@H]1OCCc2sccc21 294041123 FQRODOBQJGESPI-WPKBUWHJSA-N 374.462 2.743 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)[nH]n1 91663339 ODCQWVSUMQFYIS-GOSISDBHSA-N 354.385 2.768 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91677907 WIHBXBAFGBMSNJ-OAQYLSRUSA-N 372.513 2.613 0 50 FFAA Cc1ccccc1CSCC(=O)N1CCC(CN2CCOCC2)CC1 91365041 IRFNBSHYBYSIIT-UHFFFAOYSA-N 362.539 2.799 0 50 FFAA CCc1cccc2c(C(C)=O)cn(CC(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)c12 91914786 XCFADQYDMUALGJ-SJLPKXTDSA-N 367.493 2.959 0 50 FFAA Cc1c(C(=O)N2CCN(c3ccncc3)CC2)c2cc(O)ccc2n1C 97323977 WEFIXTKGYKRACC-UHFFFAOYSA-N 350.422 2.550 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1 95506855 FRMRIGGBWPWOTE-PKOBYXMFSA-N 370.497 2.773 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)Nc3c[nH]c4ccccc34)C2)C1=O 95379683 QJLBAFPNBXJXNA-HXUWFJFHSA-N 370.453 2.661 0 50 FFAA NCCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1 91965006 YRRCWZXTYVDPNN-IFMALSPDSA-N 363.505 2.924 0 50 FFAA O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H]1COc2ccccc2C1=O 181582786 ZGTDDIDYJDFZAX-CQSZACIVSA-N 365.307 2.888 0 50 FFAA NCCC[C@@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91794042 DHABHYFCIMVWMS-HXUWFJFHSA-N 351.494 2.661 0 50 FFAA Cc1cc(CN2CCN(CCO)CC2)c(C)c(CN2CCCC[C@H]2C)c1 230484505 VASSKACGIKSVRO-LJQANCHMSA-N 359.558 2.788 0 50 FFAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91663553 HZBLYGDWLIXTEX-RBUKOAKNSA-N 364.445 2.836 0 50 FFAA Cc1ocnc1C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95358160 GSILKGKQYGQDLH-BHIYHBOVSA-N 373.403 2.964 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95513058 MVRAUMCFQRZDPC-CQSZACIVSA-N 370.482 2.624 0 50 FFAA COc1cc2c(cc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCC2 244701268 KDEOCJYPWDODET-FTRWYGJKSA-N 352.434 2.821 0 50 FFAA CCc1nc(CCNC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)no1 244874277 WXZAYULKBJVKCA-FQEVSTJZSA-N 373.453 2.705 0 50 FFAA O=C(c1cnn(CCC(F)(F)F)c1)N1CCO[C@@H](c2cccc(O)c2)C1 183630345 GFYLBJCCXJBYMZ-OAHLLOKOSA-N 369.343 2.755 0 50 FFAA Cc1sc2nc(CCNc3cc([C@H]4C[C@@H](O)C4)ncn3)nc(O)c2c1C 253535352 MLQIYEXWCPSRLX-TXEJJXNPSA-N 371.466 2.697 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)[C@@H](C)OC[C@@H]3CCCCO3)CCO2)c1 268990295 GCPNBQURXKZSOH-MNEFBYGVSA-N 363.454 2.569 0 50 FFAA CCCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2n[nH]c(COC)n2)cc1 534665383 YEVQAKAXNRAAMT-MRXNPFEDSA-N 358.442 2.649 0 50 FFAA Nc1nc2c(c(C(=O)NCc3cc(-c4cccc(F)c4)no3)n1)CCCC2 534588272 PBIQFFLCGSVBPL-UHFFFAOYSA-N 367.384 2.662 0 50 FFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCC(Cc2ccc(F)cc2)CC1 272533059 AXVFNCDJWMLIIS-QGZVFWFLSA-N 373.472 2.801 0 50 FFAA Cc1cccc(NC(=O)CC(=O)NCCCn2nnc3ccccc32)c1C 55309770 SHHOHBXSKLTXKR-UHFFFAOYSA-N 365.437 2.583 0 50 FFAA O=C(c1cccnc1)[C@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299773312 DIBWOWYLEFJKIB-SFHVURJKSA-N 351.450 2.659 0 50 FFAA CCOC(=O)c1cnn(-c2ccccn2)c1CN(C)Cc1cscn1 299788644 YYIJFZXWXYHDQB-UHFFFAOYSA-N 357.439 2.533 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2cccc(-c3cccnc3O)c2)CC1 299794277 ISAULMRNEHDHSB-UHFFFAOYSA-N 369.421 2.805 0 50 FFAA CCOC(=O)c1cnn(-c2ccccc2Cl)c1CNCc1ccon1 299775374 DWPRICFZYKAHJE-UHFFFAOYSA-N 360.801 2.980 0 50 FFAA O=C(O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 299794982 LDSUNRIMQGNYDQ-UHFFFAOYSA-N 350.334 2.634 0 50 FFAA O=C(NCCCn1ccccc1=O)N1CCC2(CCc3ccccc32)CC1 670464605 DJDMOQFFVBQUMN-UHFFFAOYSA-N 365.477 2.928 0 50 FFAA C=CC(=O)N(CCc1cc(C)no1)Cc1ncc(Br)s1 1875386837 ZYPQPXUUUNGOOT-UHFFFAOYSA-N 356.245 2.959 0 50 FFAA C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H](Cc1ccsc1)NC=O 1875321446 IRNPMMBBCOHKQO-AYOQOUSVSA-N 356.491 2.885 0 50 FFAA Cc1cc(NCCN[C@@H](C)c2cnc3ccsc3c2)n2ncnc2n1 1875256248 NDUVSZZGKFQGLQ-LBPRGKRZSA-N 353.455 2.805 0 50 FFAA C[C@H](CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)n1cccn1 952965748 BYDXWPPWVWGZLS-GFCCVEGCSA-N 354.414 2.655 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)c2c(C)nn(C)c2n1 888088455 ANMDAENOEPTOAO-WMZOPIPTSA-N 369.513 2.922 0 50 FFAA COc1ccccc1[C@H](C)N1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C 886096713 OYIYKLLGLWUWAL-YEWDVWPNSA-N 357.410 2.554 0 50 FFAA O=C(Nc1ccc(C(=O)C2CCC2)cc1)N[C@@H]1CCN(C2CCC2)C1=O 888100321 SUXZWVWIMSPMPT-QGZVFWFLSA-N 355.438 2.944 0 50 FFAA CCc1cc(C(=O)N[C@H]2CCOC[C@@H]2Oc2ccc(CO)cc2)cs1 1565511348 MDCUUBLTPWBICZ-ROUUACIJSA-N 361.463 2.769 0 50 FFAA O=S(=O)(NC[C@H]1CCc2nccn2C1)c1cccc(Cl)c1Cl 275383278 YWFBYRWGVSUHIV-SNVBAGLBSA-N 360.266 2.731 0 50 FFAA CCCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)O 170592111 QOZOFHGPWOJWST-IAGOWNOFSA-N 360.454 2.689 0 50 FFAA O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc(C(=O)N2CCCC2)n1 172636512 CLOFBFNIGUKFAF-MRXNPFEDSA-N 353.397 2.874 0 50 FFAA O=C1CCCc2cc(S(=O)(=O)NC[C@H]3Cc4ccccc43)ccc2N1 193980354 YNXIFUCMZGPQTC-OAHLLOKOSA-N 356.447 2.580 0 50 FFAA CCOCCc1nnc(NC(=O)c2nc3ccc(Cl)cn3c2F)s1 1529101862 PLLHXNBYUPEQDS-UHFFFAOYSA-N 369.809 2.810 0 50 FFAA O=C(c1cncc(Cl)c1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529167858 RRBPXPYKSJLZLL-QZTJIDSGSA-N 357.841 2.633 0 50 FFAA Cc1nn(CC(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)cc1Cl 219316024 JYZMOATYSWARIJ-ROUUACIJSA-N 372.900 2.968 0 50 FFAA O[C@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1ccnc2ccccc12 1704302695 BJXLIQMFIPBSAW-QAPCUYQASA-N 350.422 2.531 0 50 FFAA C[C@@H](Cc1cnccn1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 12306026 MKWPIGKRQKTFBE-AWEZNQCLSA-N 360.421 2.564 0 50 FFAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)Cn2nc(C)nc2C)C1 12314251 QNBYCGJQFGMDOY-HNNXBMFYSA-N 372.494 2.738 0 50 FFAA CC(C)N(Cc1nccn1C)c1nc2nonc2nc1NC1CCCC1 12316464 HNEGDADWCQQUNZ-UHFFFAOYSA-N 356.434 2.516 0 50 FFAA Cc1cc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)oc1C 15072896 ZRNPYFSXISLYRQ-KRWDZBQOSA-N 359.514 2.851 0 50 FFAA Cc1cc(C)cc(C(=O)N2CCC[C@H](n3cc(-c4nc(C)no4)nn3)C2)c1 169777695 GNPHLFRHGKNLHX-INIZCTEOSA-N 366.425 2.731 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)COCc3ccccc3)C1)CC2 1857670930 HZLIKJGXKGKCST-NRFANRHFSA-N 367.449 2.514 0 50 FFAA CCn1nc(C)cc1C(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857673722 ZRLXFSBNSXMKJK-UHFFFAOYSA-N 363.465 2.853 0 50 FFAA CN(Cc1ccccc1Cl)C(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 225431298 JPANNJNAIFRHMU-FQEVSTJZSA-N 372.852 2.705 0 50 FFAA O=S(=O)(N1CCCCCC1)N1CCN(c2ccccc2Cl)CC1 4335352 MFBNVQXDMKRFNR-UHFFFAOYSA-N 357.907 2.583 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccnc(O)c2)C1 332372561 WYZQUFNNJOWSPF-LLVKDONJSA-N 354.332 2.559 0 50 FFAA CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@@H](C(=O)O)C2)c1 236694503 CIYAFJJUVYSNQF-SNVBAGLBSA-N 356.216 2.783 0 50 FFAA CCCc1nc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2[nH]cnc2C)C3)cs1 248075242 ZMXCMUOKPMCHII-CABCVRRESA-N 373.526 2.864 0 50 FFAA O=C(Nc1ccnn1Cc1ccccn1)N1CC[C@@H](CN2CCCCC2)C1 156806255 AUWGXFAICXNQFN-KRWDZBQOSA-N 368.485 2.666 0 50 FFAA O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1cc(C(F)(F)F)cnc1O 828144048 HHIKFFGCECJKKX-LBPRGKRZSA-N 356.304 2.954 0 50 FFAA CCCc1ccccc1S(=O)(=O)NC(=O)C(F)(F)c1nccs1 835831102 DLYFTPIYEUHWLH-UHFFFAOYSA-N 360.407 2.693 0 50 FFAA CCS(=O)(=O)c1ccc(C(=O)Nc2cscc2C(=O)OC)cc1 2325727922 UWBPNSMAAZARHQ-UHFFFAOYSA-N 353.421 2.581 0 50 FFAA O=C1CCCc2ccc(C(=O)N3CCC[C@H]([C@@]45CC[C@H]4CCN5)C3)cc2N1 2325793086 DZQSETGGWGGMSK-NPPFBWRTSA-N 367.493 2.956 0 50 FFAA Cc1cc(C)cc(-n2nc(C)nc2-c2ccc(=O)n(-c3cnn(C)c3)c2)c1 2325864895 DAVOWKDBDMWLOB-UHFFFAOYSA-N 360.421 2.744 0 50 FFAA COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 920621 ZDCCBZGWOMQIBV-IBGZPJMESA-N 363.417 2.641 0 50 FFAA COC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3ccccc3)c(=O)c2c1C 1980433 FYTPCWONOMBJIB-NSHDSACASA-N 371.418 2.753 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ccc(C(F)(F)F)cc1 2356162538 MLILYZLVHFLLSM-KRWDZBQOSA-N 356.388 2.655 0 50 FFAA CCc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O 2988204 XCVVOQYJBHHHIF-UHFFFAOYSA-N 372.556 2.663 0 50 FFAA CCCC[C@H](CC)CNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O 3896555 QEMQMEWLXMZGGM-ZDUSSCGKSA-N 365.499 2.864 0 50 FFAA Cc1cc(=O)oc2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc12 4821236 KTMFLTPNQJBZNO-UHFFFAOYSA-N 367.357 2.890 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc(C)c2)n1 4838980 PHWBKBGYNCMZHQ-UHFFFAOYSA-N 353.831 2.874 0 50 FFAA CC[C@@H](C)Sc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 59745536 JCADZQUKMPNKHJ-MNOVXSKESA-N 371.532 2.761 0 50 FFAA COc1cc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc(Cl)c1O 104403670 DIVVFHLEFSZQAY-MRXNPFEDSA-N 370.921 2.969 0 50 FFAA O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCSCC1 22518309 HKNFUKPEJAYNOQ-UHFFFAOYSA-N 356.426 2.991 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CC1)CN(C)CCN2C 67840678 DYYOJWHKOUUBBM-SFHVURJKSA-N 373.541 2.817 0 50 FFAA COc1cc(CN2CCN(C)[C@@H](CCO)C2)ccc1OCc1ccccc1 23373590 NBAYFJMXNMKUPT-FQEVSTJZSA-N 370.493 2.773 0 50 FFAA CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2snnc2C)s1 20472228 JPXZQVXOPHJIIH-JTQLQIEISA-N 350.469 2.635 0 50 FFAA Cc1nonc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 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CN(C)[C@H]1Cc2ccccc2N(C(=O)Cc2cnn(Cc3ccccc3)c2)C1 2325859814 LMLAGRNJCYMHPH-NRFANRHFSA-N 374.488 2.993 0 50 FFAA O=C(Nc1cncc(-c2c[nH]c3nccc-3c2)c1)c1cc2c(=O)[nH]ccn2c1 2325870996 YFMMCMLLALQWDG-UHFFFAOYSA-N 370.372 2.770 0 50 FFAA O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1ccc(-c2cc[nH]c3nccc2-3)cc1 2325898674 RYZYPQNJVAXKDD-QZTJIDSGSA-N 371.462 2.763 0 50 FFAA CC(C)(C)c1nnc(CNC(=O)[C@]2(C(=O)O)C[C@H]2c2ccccc2)s1 907639757 NAVMUFREXMYPTA-SGTLLEGYSA-N 359.451 2.710 0 50 FFAA COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(OC)cc1Cl 100485096 JZSBZZLZXMBWTG-DMAMZFHHSA-N 351.786 2.819 0 50 FFAA CC1(C)C[C@@H](NC(=O)C(F)(F)F)C[C@](C)(CNC(=O)C(F)(F)F)C1 675787 YOWHANNOAAEALQ-PELKAZGASA-N 362.314 2.928 0 50 FFAA Cc1c(C=O)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2 780722 BUVBGYOEHGHWAV-UHFFFAOYSA-N 350.374 2.807 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(C)C)C2)cc1 796691 TVGDZIJOLLIBPX-INIZCTEOSA-N 352.500 2.558 0 50 FFAA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(O)cc2)NC(=O)N1 812902 YEWSJBRQJQZMHF-SFHVURJKSA-N 352.390 2.806 0 50 FFAA O=C1N[C@H](c2cccs2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 1006975 VTKDNOOWBIARLM-ZOWXZIJZSA-N 370.352 2.852 0 50 FFAA CCc1ccccc1N(CC(=O)Nc1ccccc1F)S(C)(=O)=O 1169162 BBJXYDXZMISHIL-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA O=C1CC[C@@](C(=O)N2CC(c3ccc(F)cc3)C2)(c2ccccc2)CN1 1329460049 INUYDLAQFNQNBF-NRFANRHFSA-N 352.409 2.600 0 50 FFAA O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2 2764946 RFCWWVHEIDWZTO-UHFFFAOYSA-N 371.412 2.705 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CC2(COc3ccccc3C2)C1 2356153439 HFNUMMOHCHWHHZ-UHFFFAOYSA-N 352.434 2.953 0 50 FFAA COC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCOCC1 4414037 LVRRZEPRTHBSCH-UHFFFAOYSA-N 358.369 2.701 0 50 FFAA COc1cc(/C=C2/[C@@H](O)C3CCN2CC3)cc(Br)c1OC 4842736 VTRKQHYBVPUJOD-ODDCISTRSA-N 354.244 2.894 0 50 FFAA CCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 8433950 QGDKSFMFDCRKCL-UHFFFAOYSA-N 353.330 2.752 0 50 FFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cccc(C)c1 57291733 WUZJTXTWFLACQV-UHFFFAOYSA-N 354.406 2.728 0 50 FFAA O=C(CSc1nc2[nH]c(=O)cc(O)c2s1)Nc1ccc(F)c(F)c1 65361846 RLIFLJDAYYUJDZ-UHFFFAOYSA-N 369.374 2.699 0 50 FFAA CN(Cc1cccc(C(=O)Nc2c3c(nn2C)CCC3)c1)Cc1ncc[nH]1 67786608 YNRQBNDVRWAHHX-UHFFFAOYSA-N 364.453 2.516 0 50 FFAA CN(C)c1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)n1 67771553 YFUITYDBLGXNCV-LJQANCHMSA-N 362.424 2.642 0 50 FFAA CCOC(=O)c1cnn(-c2cc(C)ccc2C)c1CNCc1ccon1 20149086 BJFDSYPWSPRYKS-UHFFFAOYSA-N 354.410 2.944 0 50 FFAA COCCc1cc(=O)[nH]c(-c2ccc(CN(C)Cc3ccccn3)cc2)n1 20419515 TUTUHHZWVJISQZ-UHFFFAOYSA-N 364.449 2.653 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cc(C)nc(C)n3)C2)CCC1=O 77485589 KXFCFDZPIHYZSW-FQEVSTJZSA-N 358.486 2.738 0 50 FFAA Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2nc(C)sc2C)cc1 479881795 GWTDAQLNXZYXLU-LJQANCHMSA-N 373.522 2.801 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cn2)CC1 69403393 YCPFQLORTKAOPR-UHFFFAOYSA-N 369.856 2.893 0 50 FFAA Cc1cccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 65362470 QCJYEWZZHKHBQX-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA CS(=O)(=O)c1nccc(C(=O)Nc2ccccc2Oc2ccccc2)n1 253432251 XPLJIZFSKNJCEF-UHFFFAOYSA-N 369.402 2.925 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cccnc3OC)C2)CCC1=O 77470337 ZBUADEVMCKHOPP-FQEVSTJZSA-N 359.470 2.735 0 50 FFAA Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 122316142 NRIKQMMLSFDUDH-UHOSZYNNSA-N 357.498 2.935 0 50 FFAA O=C([C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCCCC1 921637 NUJZCVFNMNJUHO-LJQANCHMSA-N 362.429 2.906 0 50 FFAA COCCN1CCC(CN(CCCn2cccn2)Cc2ccncc2)CC1 12320702 GKQLWUVZSGKKKD-UHFFFAOYSA-N 371.529 2.529 0 50 FFAA O=S(=O)(N[C@H]1c2ccccc2CC12CCOCC2)c1cncc(F)c1 329768365 DQRZALUFNYDPOQ-KRWDZBQOSA-N 362.426 2.593 0 50 FFAA CCC[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72454643 WITFXVUAGIDJAR-OAHLLOKOSA-N 360.502 2.764 0 50 FFAA N=C(O)[C@@H]1CN(S(=O)(=O)CCC2CCCCC2)C[C@H]1C(F)(F)F 333518576 KDTKOGDZCKNEPZ-VXGBXAGGSA-N 356.410 2.932 0 50 FFAA CCCc1noc2nc(C3CC3)cc(C(=O)Nc3c[nH]c(C(N)=O)c3)c12 176739495 RYQMSBPAVBNLAD-UHFFFAOYSA-N 353.382 2.732 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2nc(S)oc2c1 157438558 ZNWKKRSHXMEFKM-BZNIZROVSA-N 350.465 2.901 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCN(c2ccccc2F)CC1 77540209 LSGSNRSTKJFSTI-UHFFFAOYSA-N 350.397 2.974 0 50 FFAA COC(=O)c1n[nH]cc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 72163367 FCRAIJSQUQRSGV-AWEZNQCLSA-N 353.382 2.583 0 50 FFAA O=C(N1CCCC[C@H]1c1nnc(C2CCC2)o1)C(F)(F)C1(O)CCC1 378140397 SOTZHHILSBHHBO-LBPRGKRZSA-N 355.385 2.941 0 50 FFAA CCC(CC)N(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1 72120771 YOWGVLCFPLDPOX-IBGZPJMESA-N 359.514 2.723 0 50 FFAA CC(C)(C)[C@@H]1C[C@@H](NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCO1 378309183 DWZCMYXTPYLSAY-IMJJTQAJSA-N 350.463 2.777 0 50 FFAA CCS(=O)(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 72162866 HARHOZVQWQPASR-IBGZPJMESA-N 350.528 2.757 0 50 FFAA Cc1ccsc1S(=O)(=O)N1CCCC[C@H]1CCN1CCCC1=O 77286538 YNMCZUIPDNIQEA-AWEZNQCLSA-N 356.513 2.612 0 50 FFAA CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCc2cnccc21 176739173 JYWZAXFXRZLFIM-UHFFFAOYSA-N 373.478 2.705 0 50 FFAA O=C1NCCN(CCc2ccccc2)[C@@H]1CC(=O)N1CCCCCCCC1 72121954 FAXILYWJZLNSNU-HXUWFJFHSA-N 371.525 2.602 0 50 FFAA CCOc1ncccc1C(=O)N1CCO[C@@H](Cc2ccc(OC)cc2)C1 71747518 DHOBJUQFXOHTEH-KRWDZBQOSA-N 356.422 2.573 0 50 FFAA Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3cc(C)oc3C)CC2)cn1 72467803 NROJGNJNDQASSS-UHFFFAOYSA-N 358.394 2.738 0 50 FFAA Cc1nn(C)c2[nH]nc(NC(=O)Nc3ccc(OCC(F)(F)F)nc3)c12 225680821 QEUYEPWOWZDZIG-UHFFFAOYSA-N 369.307 2.585 0 50 FFAA Cc1nc(N)ncc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 222770623 GJXWNOJOZUCUNY-GFCCVEGCSA-N 353.451 2.997 0 50 FFAA COc1cc(CCC(=O)N2CCC[C@H]2Cn2ccnc2C)cc(OC)c1 177201542 JMSOHPIQLXNMJL-KRWDZBQOSA-N 357.454 2.833 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@@H]2CCN(Cc3ccccn3)[C@@H]2C1 82157686 JAKAYSRRSYHYIC-WMLDXEAASA-N 366.421 2.549 0 50 FFAA Cc1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c(C)c1 20614293 NLLWSJLMYFEBFA-UHFFFAOYSA-N 372.288 2.620 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)ccc1Cl 426677878 WSAHQWLLACRHBN-CQSZACIVSA-N 361.829 2.949 0 50 FFAA COc1ccccc1N1C[C@@H](c2ncnn2-c2ccccc2OC)CC1=O 91807804 QQOOZTOOSZRSOJ-AWEZNQCLSA-N 364.405 2.805 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1O)N1CCc2[nH]c3ccccc3c2C1 91440621 GHHCTHKXERKOGV-UHFFFAOYSA-N 371.400 2.924 0 50 FFAA CCCc1n[nH]cc1C(=O)N1CCC[C@@]2(C3=CCOCC3)COCC[C@H]12 252480643 CBSLOQYQRDTSAT-ICSRJNTNSA-N 359.470 2.720 0 50 FFAA CC(C)c1nnsc1CN1CCc2nnc(-c3ccccc3)n2CC1 252502591 URGZGPSUSIVPRY-UHFFFAOYSA-N 354.483 2.978 0 50 FFAA O=C(O)[C@H]1COCCN1C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 268989647 RYTLKJHCMGTIKU-FXMSTWTQSA-N 363.719 2.684 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)CCN2CCCC2=O)c2cccnc2)c1 299763013 FXPTWEOSQGPWFK-NRFANRHFSA-N 351.450 2.917 0 50 FFAA O=C1C[C@@H](CN2CCCN(Cc3ccccn3)CC2)CN1c1ccccc1 299797968 DGECFSOIYDBZTE-IBGZPJMESA-N 364.493 2.642 0 50 FFAA COC[C@@H](NC(=O)c1cccc(-c2nc(C)cnc2C)c1)c1ccnn1C 299769207 LYTSXZXKLKEFAR-QGZVFWFLSA-N 365.437 2.611 0 50 FFAA CCCc1ccc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)o1 299763069 YGMVCEXRJMOZDP-UHFFFAOYSA-N 356.470 2.861 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cc1OCCCN 299754995 BFKUUAOVQRPWJD-GOSISDBHSA-N 354.450 2.710 0 50 FFAA Cn1ccnc1CN1CCN(Cc2cc(CN3CCCCC3)cs2)CC1 825641684 VZIXWGPWMBODSP-UHFFFAOYSA-N 373.570 2.785 0 50 FFAA CN(Cc1noc(C2CCC2)n1)C(=O)NC1CCN(C2CCCC2)CC1 584890093 ASNFBACTHJOWSL-UHFFFAOYSA-N 361.490 2.886 0 50 FFAA C[C@H](C(=O)NC[C@@H](O)c1ccc(F)cc1F)n1ccc(C(F)(F)F)n1 1875269497 INFMZHMVSDTRCQ-PRHODGIISA-N 363.286 2.591 0 50 FFAA O=C(NC1CCC2(CC1)C[C@H]2N=c1nc(C2CC2)[nH]s1)c1ccoc1 1875407510 BMTBATRKHGNZPW-TXKKKEFDSA-N 358.467 2.974 0 50 FFAA Cc1nnc(N2CCC3(CC2)CC(NC(=O)[C@@H]2CC[C@H](C)C2)C3)nc1C 1875405409 FWMATHCUIKPGMN-XJKSGUPXSA-N 357.502 2.790 0 50 FFAA Cc1noc(C[C@]2(O)CCCN(Cc3cc(-c4ccccc4)on3)C2)n1 886091764 QNNFATIOFRQSHG-LJQANCHMSA-N 354.410 2.603 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2C)cn1 275373990 XXEUOLAKQIVYGO-GOEBONIOSA-N 369.874 2.673 0 50 FFAA CNC(=O)c1ccn([C@H]2CCCN([C@@H](C)c3nc4ccccc4o3)C2)n1 276043030 SHNLLCYNLZYTHA-KBPBESRZSA-N 353.426 2.782 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c1 188717759 FXGPEZWZOHAECN-KRWDZBQOSA-N 359.514 2.512 0 50 FFAA COc1cccc(CC(=O)N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1 1529090392 IIRLKZPZNFIRRI-TZIWHRDSSA-N 366.461 2.522 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(c3ncccc3Cl)CC2)CCC1=O 1775984084 HIFWMMPTUHAVIX-OAHLLOKOSA-N 350.894 2.504 0 50 FFAA CN(CC[C@@H]1CCCCO1)C(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 11782409 ADYXZUSATSCJTG-JXFKEZNVSA-N 362.470 2.669 0 50 FFAA CC(C)=CCC[C@H](C)N(C)CCn1cc(C(=O)NCc2ccncc2)nn1 12182720 MEBHQJOKLNGAOV-KRWDZBQOSA-N 370.501 2.670 0 50 FFAA CCCNC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12457594 QQPULQLHSWCVBT-LJQANCHMSA-N 365.424 2.899 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)no1 12470642 LUSUNLSWXINJLB-ZDUSSCGKSA-N 359.401 2.658 0 50 FFAA Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H](NC1CCCC1)C2 14731498 WQUIEVLIQNKNJF-AWEZNQCLSA-N 358.511 2.801 0 50 FFAA CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)cc2)NC(=O)N1 14954344 HEAIGWIZTYAQTC-KRWDZBQOSA-N 365.368 2.969 0 50 FFAA in-vitro O=c1c2c3c(sc2ncn1CCO)C[C@H](NCCC1=CCCCC1)CC3 19720775 UNTAXIFCVDJOPP-OAHLLOKOSA-N 373.522 2.788 0 50 FFAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1)c1ccc(Cn2ccnc2)o1 220084434 HYJLBCLPPPBEKO-FCEWJHQRSA-N 351.406 2.766 0 50 FFAA Cc1cc(C)n(CC(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)n1 1857670690 DRGMGRPSLZCRGC-WAOWUJCRSA-N 367.449 2.577 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@H](CO)c1ccccc1)OCCO2 1857690144 BRZWKTRBBKIVRO-MRXNPFEDSA-N 352.390 2.912 0 50 FFAA O=C(C1CCOCC1)N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857700849 MWXDZVHDDVRPDA-RTBURBONSA-N 359.466 2.687 0 50 FFAA O=C(C1CCN(c2nc3ccc(Cl)cc3o2)CC1)N1CCC[C@H](O)C1 1857727439 RFIXVZANSYKAIG-AWEZNQCLSA-N 363.845 2.681 0 50 FFAA Cc1nc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cs1 1857727633 VWIDGPJFTOOIDB-HKUYNNGSSA-N 359.495 2.524 0 50 FFAA CC(C)Cn1c(CN2CC[C@@]34OCCCN3C(=O)C[C@@H]24)nc2ccccc21 1857734485 TVHKFFXVKWWSJZ-NQIIRXRSSA-N 368.481 2.616 0 50 FFAA Cc1nc(NC(=O)Cc2cn(C)c3ccccc23)sc1C(=O)N(C)C 1875241918 HHSSQCQJUHBZAG-UHFFFAOYSA-N 356.451 2.826 0 50 FFAA Cc1cc(C)c(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)o1 328630053 PLEBWYDRHMSMPP-MRXNPFEDSA-N 356.426 2.500 0 50 FFAA CN(C)CCOc1cc(CNC(=O)C[C@@H]2CCOc3ccccc32)ccn1 124020400 CPXXYUBOOWBGGY-KRWDZBQOSA-N 369.465 2.595 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2cccc(C(=O)O)c2)N2CCOCC2)s1 263437787 OZLRGFKPTLLYEW-MRXNPFEDSA-N 374.462 2.558 0 50 FFAA CN(CC1CCOCC1)S(=O)(=O)c1ccccc1OC(F)(F)F 162454962 VHNJQTZJJKSYLA-UHFFFAOYSA-N 353.362 2.632 0 50 FFAA CCC[C@]1(C(=O)O)CN(C(=O)C(C)(C)Oc2cccc(C)c2)CC[C@H]1O 1704306935 YDYODSXMDVMZEC-UZLBHIALSA-N 363.454 2.617 0 50 FFAA O=S(=O)(c1cccc2scnc12)N1CCN(C2CCCCC2)CC1 841505899 WRZGOMAMFPOCLL-UHFFFAOYSA-N 365.524 2.935 0 50 FFAA CCCc1nnc(NC(=O)C[C@@H]2CCCN(c3nc4ncccc4o3)C2)o1 2100482386 VPEMBNJATUIEBZ-LBPRGKRZSA-N 370.413 2.804 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC34CC(C)(C)C4)C2)n[nH]1 2325842789 IMIBZUBKJYDDOY-ZIAGYGMSSA-N 358.486 2.690 0 50 FFAA O=C(Nc1cccnc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 784728 IJIGNCHXZOJKQL-IBGZPJMESA-N 371.396 2.928 0 50 FFAA CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 821496 NOCKDFBDVWHGOR-UHFFFAOYSA-N 366.870 2.898 0 50 FFAA C[C@H](C(=O)NCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1110778 PBBZLCOKMGQNST-CYBMUJFWSA-N 366.870 2.811 0 50 FFAA CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 1121959 KAWNZPSUAQQJAE-CYBMUJFWSA-N 360.435 2.682 0 50 FFAA CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 2851388 TWZGLPVDOUPICF-CYBMUJFWSA-N 368.389 2.806 0 50 FFAA O=C(Nc1ccc(I)cn1)c1ccc2c(c1)OCO2 6345698 NIHSVCAEVGDSBT-UHFFFAOYSA-N 368.130 2.667 0 50 FFAA CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 100276719 IEVIORGJWMACIW-HZPDHXFCSA-N 374.824 2.736 0 50 FFAA CC(C)C(=O)Nc1nc(CC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cs1 116304848 RUJHDWCQIKDYFP-CYBMUJFWSA-N 361.471 2.757 0 50 FFAA COCCN(C1CCN(C)CC1)[C@@H](C(=O)O)c1ccc(OC(C)C)cc1 55108598 QFQXVGWTNOZVJK-LJQANCHMSA-N 364.486 2.642 0 50 FFAA Cc1occc1-c1noc([C@@H]2CCCCN2C(=O)c2ccn(C)c(=O)c2)n1 350417404 AVWIQMJMUBLLLJ-HNNXBMFYSA-N 368.393 2.704 0 50 FFAA CN(C)c1cccc([C@@H]2CCCN2C(=O)NCc2nnc3ccccn23)c1 117956440 AXVXTKNYGAPBRY-KRWDZBQOSA-N 364.453 2.842 0 50 FFAA CCOC(=O)c1cccnc1N1CCN(C2Cc3ccccc3C2)CC1 65435774 KAHPDFKQXNVFQX-UHFFFAOYSA-N 351.450 2.548 0 50 FFAA CNc1nc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)nc2c1CCC2 67759046 MDFBVYLEPCMTKT-OAHLLOKOSA-N 360.502 2.545 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)Cc3ccc4[nH]c(C)nc4c3)CC2)nc1 67756830 VPWAYHYWRXCRIF-UHFFFAOYSA-N 364.449 2.627 0 50 FFAA Cc1ccc2cc([C@H]3CC(=O)NCc4nc5sccn5c43)c(=O)[nH]c2c1 65489003 MMZWWUMLCCHYFL-GFCCVEGCSA-N 364.430 2.698 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)Cc3cc(C)ccc3C)C2)CCC1=O 77406756 GKVYYNACMYJJQM-JOCHJYFZSA-N 372.509 2.724 0 50 FFAA c1nc([C@H]2CCCNC2)cc(N(Cc2ccc3c(c2)OCO3)C2CC2)n1 67854989 WNBZPMXQTCXQRD-HNNXBMFYSA-N 352.438 2.841 0 50 FFAA Clc1ccc(-n2nc(C3CC3)nc2Cc2cnc3ncnn3c2)cc1 65383572 UGHWDWNZYOSIFY-UHFFFAOYSA-N 351.801 2.827 0 50 FFAA Cn1cc(Cl)c(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n1 218926510 ZMVCZCQELXDJMR-MKTAYPAQSA-N 370.840 2.864 0 50 FFAA c1ccc2c(Cc3nn4c(CN5CCOCC5)nnc4s3)cccc2c1 39389171 OUYHEUCUQRMGQF-UHFFFAOYSA-N 365.462 2.762 0 50 FFAA Cc1cccn2c(CNc3nccc(-c4cc(C(=O)O)ccn4)n3)cnc12 77391636 VIYDQVKANSWQFV-UHFFFAOYSA-N 360.377 2.805 0 50 FFAA CN(C[C@H]1CC12CCN(C(=O)c1cnn(C)c1-n1cccc1)CC2)C1CC1 362106385 OIXNPXPLXJRZQI-MRXNPFEDSA-N 367.497 2.547 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N(C)[C@@H]3CCCc4c3cnn4C)cc2)o1 154499014 ZZYHJOKFUPRIRF-MRXNPFEDSA-N 351.410 2.928 0 50 FFAA C[C@H]1CN(C(=O)c2cccnc2N2CCCCC2)CCN1CC(F)(F)F 125214824 DCYGDZRVPOFJRN-AWEZNQCLSA-N 370.419 2.781 0 50 FFAA CN(CCc1noc(C2CC2)n1)C(=O)c1cccc(CC2CCNCC2)c1 72153293 LXYONLLAIFXBDJ-UHFFFAOYSA-N 368.481 2.804 0 50 FFAA C[C@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 17072715 ITLXCYKHGQFXJE-VIFPVBQESA-N 350.440 2.568 0 50 FFAA COC(C)(C)C[C@H](C)NC(=O)N1CCc2c(nnn2-c2ccccc2)C1 368633920 BWCXPJHEPMXJRI-AWEZNQCLSA-N 357.458 2.539 0 50 FFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(c2nccs2)CC1 333496353 BZGWCXPBGHVUHJ-CYBMUJFWSA-N 360.487 2.721 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)Cc1cnc(N2CCCC2)s1 72169761 ACAPNQBQNJVHHT-UHFFFAOYSA-N 356.455 2.820 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)C(=O)O)c1C 263080633 PTAUFUUHAZYDFV-MLGOLLRUSA-N 368.389 2.579 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC(c3nccn3C)CC2)c1 215134522 VEIRELMTRFOGDO-UHFFFAOYSA-N 351.454 2.994 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H](c2ccsc2)O1 130791963 BOHNRZUSFSSSNT-BXUZGUMPSA-N 363.464 2.775 0 50 FFAA C[C@H]1CN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1C(=O)O 262860370 FIAZJCLNCJQRTL-JQWIXIFHSA-N 374.418 2.722 0 50 FFAA Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C)cc(S(N)(=O)=O)c1C 174676981 WMMZXOMABXCCNX-AWEZNQCLSA-N 358.463 2.710 0 50 FFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)nc1 72436875 JMIAQSNULRCNSV-UHFFFAOYSA-N 354.458 2.618 0 50 FFAA Cc1cc(C(=O)NCCC2CCN(C)CC2)nn1-c1c(F)cccc1F 241644667 PSPAQIHTKGSICN-UHFFFAOYSA-N 362.424 2.921 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)NCC3CCNCC3)s2)c1 426479014 RILYJCOQFJNLBK-UHFFFAOYSA-N 360.483 2.618 0 50 FFAA CC(C)[C@H](NC(=O)c1cc(Br)cc(C(=O)O)c1)c1ncon1 263580559 WCAVSHYAGGNNFW-NSHDSACASA-N 368.187 2.657 0 50 FFAA CC[C@H](Cn1ccnc1)NC(=O)CSc1ncnc2sc(C)cc12 223180343 UHSRONMACCAVEK-GFCCVEGCSA-N 361.496 2.883 0 50 FFAA O=C(CCc1cccc(O)c1)N1CCN(C2Cc3ccccc3C2)CC1 223659265 CDLCWRLKIHJABJ-UHFFFAOYSA-N 350.462 2.636 0 50 FFAA COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(C)cc1 226264196 STOBRSJMJNWINW-RDTXWAMCSA-N 357.454 2.650 0 50 FFAA CNc1nc(-c2cccc(C(=O)NCc3cc(C(C)C)on3)c2)ncc1F 426517955 PTAJLDWUHSUVCU-UHFFFAOYSA-N 369.400 3.366 0 50 FFAA CC(=O)N1CCC[C@H](c2nc(-c3ccc(-n4nc(C)cc4N)cc3)no2)C1 96132845 VOKOQJIKDLHAJY-HNNXBMFYSA-N 366.425 2.539 0 50 FFAA CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 91997418 WTEOCSSUANWHCT-ZDUSSCGKSA-N 350.846 2.756 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCn2ccnc2)C1 91444821 NHQGQKCXDJZMGN-HXUWFJFHSA-N 355.438 2.873 0 50 FFAA Cc1nc(CN(C)C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)cs1 95530491 GUMOKEGGPZQQQW-MRXNPFEDSA-N 357.479 2.501 0 50 FFAA O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc(OCCc2ccccn2)cc1 97272393 ZGDDONFMFNXVLK-YOEHRIQHSA-N 358.417 2.525 0 50 FFAA C[C@@H](O)CN1CC2(CCC1=O)CCN(C(=O)c1cccc(Cl)c1)CC2 91745844 YTVYXUBPESZUNV-CQSZACIVSA-N 364.873 2.566 0 50 FFAA CCCn1ncc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1C 91486711 YXQBBXKMPLLNAI-UHFFFAOYSA-N 361.877 2.608 0 50 FFAA Cn1c(CN2CCCC2)nnc1C1CCN(C2Cc3ccccc3C2)CC1 96152728 LWBLAXOWVPAWAS-UHFFFAOYSA-N 365.525 2.758 0 50 FFAA Cc1n[nH]c(SCCNC(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)n1 97514897 PTXDTICUOYAFTO-NSHDSACASA-N 374.470 2.542 0 50 FFAA O=C(c1ccnc(N2CCC(C(=O)N3CCCCC3)CC2)c1)N1CCCC1 95365598 WBJSETFPSGDVIL-UHFFFAOYSA-N 370.497 2.547 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NC1CCN(Cc3ccco3)CC1)C2 91325625 HAQZAANWWGRSKW-INIZCTEOSA-N 370.449 2.620 0 50 FFAA Cc1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)ncn1 91872601 DDQIRPLDKUOWEB-MRXNPFEDSA-N 368.485 2.662 0 50 FFAA Cc1cc(N2CCC(c3nccn3CC(N)=O)CC2)nc2cc(F)ccc12 95527913 UBUYEQMWEPTQRP-UHFFFAOYSA-N 367.428 2.748 0 50 FFAA CCc1ccc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)cc1 91694853 DFJBWWSRBZMIIQ-MRXNPFEDSA-N 358.482 2.927 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCN1CCCc3ccccc31)C2 91593999 NZUUMGMQSCCKNQ-GOSISDBHSA-N 366.461 2.815 0 50 FFAA COc1cccc(NC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2[nH]cnc2C)C3)c1 91426611 GNXVFFAEZWPQJP-DOTOQJQBSA-N 369.469 2.855 0 50 FFAA C[C@@H]1CN(C2CCN(C(=O)c3ccccn3)CC2)CC[C@@]1(O)C1CCC1 91255786 ULUBNMOJKUMIHO-IERDGZPVSA-N 357.498 2.559 0 50 FFAA C[C@H](OCc1ccc(F)cc1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 295050439 OPOQVQKZMFMIJU-KBXCAEBGSA-N 370.424 2.932 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 239358443 NIBHEJHGWJBWBW-GGPKGHCWSA-N 361.482 2.717 0 50 FFAA Cc1nc2c(c(N(C)CCN3CCCCC3=O)n1)Cc1ccccc1OC2 95520840 GASXUWAQAJALME-UHFFFAOYSA-N 366.465 2.717 0 50 FFAA c1ccc(CN2CCN(CCN3CCCC4(CCOCC4)C3)CC2)cc1 252481955 CVXKOPVPNANCEA-UHFFFAOYSA-N 357.542 2.697 0 50 FFAA CC(C)c1ccc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)nn1 534638495 BVHQBYGOQIIOSY-INIZCTEOSA-N 352.438 2.618 0 50 FFAA CC(C)C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ncnn1C 534653758 GGVLDIMQBXUORE-KRWDZBQOSA-N 362.522 2.562 0 50 FFAA O=C1N[C@H](CC(=O)N2CCC3(CC2)CNc2ccccc23)c2ccccc21 299774353 HEEHVLVVLDGAOE-LJQANCHMSA-N 361.445 2.847 0 50 FFAA Cc1noc([C@H]2CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)C2)n1 299781017 QSSHVGLIOVJXRT-INIZCTEOSA-N 365.437 2.739 0 50 FFAA Cc1n[nH]c(SCC(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)n1 299790135 AZMDHVRMQFVZMM-GFCCVEGCSA-N 365.890 2.501 0 50 FFAA Cc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc3[nH]nnc23)C1 299783765 WVMXHBRZNTZPHR-CQSZACIVSA-N 350.426 2.914 0 50 FFAA CCC(=O)N(c1ccccc1)C1CCN(Cc2cnc(OC)nc2)CC1 822528793 QCNIHVYIDFGEKN-UHFFFAOYSA-N 354.454 2.893 0 50 FFAA Cc1cc(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)nc(C2CC2)n1 185510179 LVAMAYVDIOHRKQ-SFHVURJKSA-N 366.465 2.544 0 50 FFAA Cn1c(Cc2ccccc2)cnc1[C@H]1NC(=O)[C@@H]2c3ccccc3CCN12 1875290366 XQKMOWYFVPUSGK-FPOVZHCZSA-N 358.445 2.739 0 50 FFAA C[C@@H](C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12)C1CCC(C)(O)CC1 1875263552 CSQXYTGUFVYJFX-OQKQTVMUSA-N 358.482 2.765 0 50 FFAA CC(C)(C)OC(=O)NC1CCC2(CC1)C[C@H]2C(=O)N1CC(c2cnc[nH]2)C1 1875319928 YVJXWZYVACUKIM-CHWWFWEZSA-N 374.485 2.809 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cc1 1875365244 MZRJSNHXTPXNNR-LJQANCHMSA-N 366.465 2.607 0 50 FFAA CO[C@@]1(c2nnc(-c3ccc(-n4nc(C)cc4C)c(F)c3)o2)CCOC1 886085325 DFDUBNCRNHYDSI-SFHVURJKSA-N 358.373 2.940 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)c2cccc3[nH]ccc23)CC[C@@H]1C(F)(F)F 886066056 RSJPTMKVPCAVFE-XHDPSFHLSA-N 353.344 2.840 0 50 FFAA COc1ccc([C@H](C)CC(=O)NS(=O)(=O)c2sc(C)nc2C)cc1 170654747 FOQROCCHRGTNEY-SNVBAGLBSA-N 368.480 2.767 0 50 FFAA Cc1cc(C(=O)N[C@](C)(COc2ccccc2)C(=O)O)nn1C(C)(C)C 170671719 LFUHGTDQDZJZJM-LJQANCHMSA-N 359.426 2.599 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1 188689456 BZKHTMFNNBEZOS-QGZVFWFLSA-N 373.497 2.856 0 50 FFAA COc1ccc(CC(=O)Nc2c(N3CCCC3)nn(C)c2C)cc1OC 1506406335 GXIMSMBFIYQMRY-UHFFFAOYSA-N 358.442 2.527 0 50 FFAA O=C(c1cn(-c2ccccc2)nn1)N1CCC([C@@H](O)c2cccs2)CC1 1506408485 SNNOALACGYXNDN-GOSISDBHSA-N 368.462 2.915 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 1529160032 WLJMSEUUCKJBKS-INIZCTEOSA-N 367.453 2.689 0 50 FFAA O=C(C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O)NCc1ccccc1 16625322 JSAJNFDLONKIET-QGZVFWFLSA-N 360.417 2.825 0 50 FFAA O=C(COc1cccc(-c2nnc3n2CCCC3)c1)NCc1ccccc1 169755558 UJRYCLBSWXMZDT-UHFFFAOYSA-N 362.433 2.977 0 50 FFAA CC1(C)N=C(c2ccccc2)C(=O)N1CC(=O)N[C@H]1CCc2ccccc21 169765555 VEEZRYUYHZXXRY-SFHVURJKSA-N 361.445 2.858 0 50 FFAA OCC1(Cn2ccnc2-c2ccccc2Cn2cccn2)CCOCC1 1857673652 XCKLAHXAVWVUJR-UHFFFAOYSA-N 352.438 2.584 0 50 FFAA Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 216253142 MJOCEASUUCXHFC-PBHICJAKSA-N 368.506 2.550 0 50 FFAA COc1ncc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(N)=O 119838488 GSRWMUGGBXLQIY-OAHLLOKOSA-N 372.400 2.567 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cncnc1)CC2 328644591 RWTBBDHQCZTIMW-GOSISDBHSA-N 356.495 2.941 0 50 FFAA Cn1ncc2ccc(-c3noc([C@H]4CCCN(C(=O)C5CC5)C4)n3)cc21 329702531 HXASAPHRRGHZTE-HNNXBMFYSA-N 351.410 2.739 0 50 FFAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 237130004 IHHWJDHUHXPSAB-NEPJUHHUSA-N 359.253 2.572 0 50 FFAA C[C@H](O)CCN(C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 151984622 KVXOCIPTHRPFQV-HNNXBMFYSA-N 367.921 2.964 0 50 FFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 909640432 NPIZUCUXVFRVES-YLQAJVPDSA-N 355.394 2.633 0 50 FFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1 852699 AOHIUNTVRBNRFV-UHFFFAOYSA-N 374.447 2.900 0 50 FFAA O=C(CCc1nnc(NC(=O)c2ccnc(O)c2)s1)c1ccccc1 2100480285 CLLGAJUKPOMSCB-UHFFFAOYSA-N 354.391 2.707 0 50 FFAA CN(C[C@@]1(C)CCCO1)C(=O)[C@@H]1CCCN1c1ncnc2sccc12 2325790047 JBCMSQMIXOQVID-KBXCAEBGSA-N 360.483 2.688 0 50 FFAA Cn1ncc(C(=O)N[C@@H]2CNCCc3ccccc32)c1Cc1ccccc1 2325795494 IOVVMSOXNGCEPZ-HXUWFJFHSA-N 360.461 2.628 0 50 FFAA COc1cc(F)c([C@@H](N)C(=O)NCC2(CC(=O)O)CCCCC2)c(F)c1 2325829175 BHDZQLVRMMPQHD-MRXNPFEDSA-N 370.396 2.515 0 50 FFAA CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC)C4=O)cc2C1=O 1124626 HQCWUPCMGOSABW-UHFFFAOYSA-N 364.357 2.711 0 50 FFAA CC(=O)N1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 4865967 DNJIALABZXLGPL-UHFFFAOYSA-N 358.829 2.656 0 50 FFAA COc1ccccc1CNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327517 AQQMOMFBVNLQQN-UHFFFAOYSA-N 369.446 2.573 0 50 FFAA O=c1[nH]c(=O)n(C[C@H]2CCCO2)c2nccc(-c3ccc(Cl)cc3)c12 9484053 CHOMJHZPYPSPTJ-CYBMUJFWSA-N 357.797 2.584 0 50 FFAA COc1ccc(CCNC[C@H](O)CO[C@H]2CCC[C@H](C)C2)cc1OC 102195703 XHPABNBFRSDROL-SZMVWBNQSA-N 351.487 2.792 0 50 FFAA O=C(Cn1ccc2ccc(F)cc21)N1CCN(CCc2ccncc2)CC1 20730303 XFXQPLFSMWBRNL-UHFFFAOYSA-N 366.440 2.562 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](CN(C)C)C2)cc1Cl 117923492 JDXDBXJGVAPYMP-JTQLQIEISA-N 367.298 2.574 0 50 FFAA CS(=O)(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20275196 BKFHBJNRNDNFJP-UHFFFAOYSA-N 366.433 2.631 0 50 FFAA O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(-c3cc(C4CC4)[nH]n3)nc21 67433183 NOZRFGBLSXGXKS-LBPRGKRZSA-N 351.385 2.886 0 50 FFAA CC(=O)Nc1ccc(F)c(C(=O)N2CC[C@](O)(Cc3ccc(F)cc3)C2)c1 422053512 ISBXJUBQFBQKML-FQEVSTJZSA-N 374.387 2.743 0 50 FFAA CCn1nccc1N1CCC[C@@H](NC(=O)CCc2ccccc2Cl)C1=O 252492245 MGNZAKRMAMXZFL-MRXNPFEDSA-N 374.872 2.801 0 50 FFAA COc1cccc(Cl)c1CNC(=O)CCNC(=O)c1ccsc1 252491894 LYNHKCJVKSAPKV-UHFFFAOYSA-N 352.843 2.846 0 50 FFAA Cc1ccnc([C@H](C2CC2)n2cnc3sc4c(c3c2=O)CCNC4)c1 65405457 WWRNALWQNGQQER-KRWDZBQOSA-N 352.463 2.807 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 65362546 REOPGITZLANKJT-UHFFFAOYSA-N 354.458 2.927 0 50 FFAA CN(Cc1cccc(Cl)c1)C(=O)c1cc(CN2CCC(O)CC2)on1 67921195 KZNMYYVRMNHQQR-UHFFFAOYSA-N 363.845 2.557 0 50 FFAA Cc1cc(C)n([C@H](C)C(=O)NC2CCN(Cc3cccc(O)c3)CC2)n1 67674327 HXQNHWRZGRLTRZ-MRXNPFEDSA-N 356.470 2.547 0 50 FFAA O=C(Nc1cccc(Cn2cccn2)c1)c1nn2cccnc2c1Cl 2795336 UJYWAEXKQXJWAH-UHFFFAOYSA-N 352.785 2.880 0 50 FFAA CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1ccccc1OC)C2 31829552 IRKVZXLLLCISTF-UHFFFAOYSA-N 374.462 2.757 0 50 FFAA O=C(O)CCCn1cc(NC(=O)COc2ccc3ccccc3c2)cn1 4744826 AYVAODMBRKFCRJ-UHFFFAOYSA-N 353.378 2.919 0 50 FFAA CCn1c(S)nnc1C[S@](=O)Cc1ccc(Br)cc1 5679268 QDEYJGWPBFPPNE-IBGZPJMESA-N 360.302 2.798 0 50 FFAA CC1=C(CCN2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)C(C)(C)CCC1 77385679 WLJFPKXMMIPNDS-IEBWSBKVSA-N 372.513 2.558 0 50 FFAA Cc1nccn1CCCN(C)C(=O)c1cccc(OCC(F)(F)F)n1 153796965 UMRARWFORICDIZ-UHFFFAOYSA-N 356.348 2.690 0 50 FFAA CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C1 330792493 URDHXWOPMWTQMB-CHWSQXEVSA-N 358.360 2.962 0 50 FFAA CN1CCC[C@H](N2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)C1 363421748 DRYBPNYBOCEUIT-NSHDSACASA-N 362.326 2.907 0 50 FFAA CC1=NN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)[C@](O)(C(F)(F)F)C1 8550599 RIDWIDIGPJSETJ-OAHLLOKOSA-N 352.316 2.858 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 35608537 SEUCUYPQXKDFFJ-VMPITWQZSA-N 372.490 2.715 0 50 FFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 237426389 HSGMGIGYKZMFRH-DGCLKSJQSA-N 352.360 2.843 0 50 FFAA Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)cc(Cl)c1Br 284364820 OBNCXFRXCATNJE-UHFFFAOYSA-N 374.666 2.684 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 237968152 FDCWASBMUGRLQI-ZDUSSCGKSA-N 362.401 2.670 0 50 FFAA CCCNc1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 72431694 QVAXIQGVTWWKAF-OAQYLSRUSA-N 365.525 2.974 0 50 FFAA Cn1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)ccc1-c1ccccc1 216447752 NGINMJLJTYYUCG-OAQYLSRUSA-N 373.456 2.875 0 50 FFAA O=C(Nc1cccc(C[S@@](=O)C2CCOCC2)c1)c1cccc(F)n1 160103316 VRYRJQVNSIKJSB-VWLOTQADSA-N 362.426 2.901 0 50 FFAA O=C(NCc1ccn2ccnc2c1)N1CCN(Cc2cccc(F)c2)CC1 178191342 SATXAKOUANALFC-UHFFFAOYSA-N 367.428 2.501 0 50 FFAA C[C@]1(NC(=O)c2ccc(-c3cccc(F)c3O)cc2)CCS(=O)(=O)C1 426716297 ZTBHIOJCWSZHJI-SFHVURJKSA-N 363.410 2.505 0 50 FFAA O=C1Nc2ccccc2NC12CCN(Cc1ccc3c(c1)OCO3)CC2 82108027 OLLGTJWBKIXIGK-UHFFFAOYSA-N 351.406 2.814 0 50 FFAA COc1ccc(CNC(=O)N2CCCN(c3ccncc3C)CC2)cc1 426429808 MUYIVGIEJMULKG-UHFFFAOYSA-N 354.454 2.821 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@H]1CCc2ccccc2O1 223355664 ZZJCZOTXPFXNDD-HXUWFJFHSA-N 351.450 2.556 0 50 FFAA Cc1cccnc1N1CCN(C(=O)c2cc(-c3ccccc3F)n[nH]2)CC1 82148089 LCVUPJOMPLWIDT-UHFFFAOYSA-N 365.412 2.882 0 50 FFAA O=C(NCc1ccc(COC2CCOCC2)cc1)c1cccnc1S 161669150 PDFIUEVNAWSIJK-UHFFFAOYSA-N 358.463 2.996 0 50 FFAA COc1cccc(CN2CCN(C(=O)NCC3CCCCC3)CC2=O)c1 426533967 ZVAMNMPAIKQGCW-UHFFFAOYSA-N 359.470 2.629 0 50 FFAA C[C@H](NC(=O)N1CCC2(CCC(=O)NC2)CC1)c1ccc2[nH]ccc2c1 426488545 VHUZLGMGNGWBFS-AWEZNQCLSA-N 354.454 2.931 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCn2nc([C@H](O)C3CC3)cc2C1 220246217 UNAJKJRUSXEQKX-OAQYLSRUSA-N 364.449 2.783 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C(C)=O)s1)CC2 91548762 YETDRUOYVVYJCH-UHFFFAOYSA-N 372.494 2.683 0 50 FFAA O=C(NCCc1ccccc1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91649872 WMZLMLNRDCBYLT-UHFFFAOYSA-N 355.482 2.806 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cccc([C@@H]3CCCNC3)c2)c1C 95385142 XWTMWBVFGZTQOA-LJQANCHMSA-N 354.498 2.959 0 50 FFAA CCCc1nc(C)c(CNC(=O)c2cnc(-c3ccccn3)nc2O)s1 91486423 JWSPKCJIEHPFLI-UHFFFAOYSA-N 369.450 2.892 0 50 FFAA CO[C@H](C)C(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95360556 GJRKBJKFWBPKAU-RCMYXZNBSA-N 356.466 2.576 0 50 FFAA CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)[C@H]1COC[C@@H]1O 95391939 JTHUVKOJELWIMJ-PMACEKPBSA-N 363.417 2.519 0 50 FFAA O=C(NCCCSCc1ccccc1F)[C@H]1CCCCn2nnnc21 97217543 CFXNMBNGFJCAEN-AWEZNQCLSA-N 363.462 2.519 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 238018741 HUGGUINYSXVEFB-GDBMZVCRSA-N 361.344 2.848 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cn2c1 91830396 CXUXDNWVHORREN-HNNXBMFYSA-N 360.421 2.705 0 50 FFAA O=C(c1ccc(CNc2nc(CO)nc3ccccc23)cc1)N1CCCC1 95391748 UFXLZUFZPWNCJF-UHFFFAOYSA-N 362.433 2.970 0 50 FFAA CCn1ccc2c(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)cccc21 230181410 WUSWTQVHVSGHIA-JOCHJYFZSA-N 368.525 2.790 0 50 FFAA O=C(O)c1cc2c(Cl)nc(Cl)nc2n1S(=O)(=O)c1ccccc1 242620192 PXOSQSZSTXEOSZ-UHFFFAOYSA-N 372.189 2.673 0 50 FFAA COc1ccccc1NC(=O)CN1CCC2(CC1)c1ccccc1C[C@@H]2O 244874261 WXPBCGJFLDYQBX-FQEVSTJZSA-N 366.461 2.585 0 50 FFAA Cc1nc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)cc2nncn12 298817442 GHRSXOGRCLMTFA-SNVBAGLBSA-N 351.336 2.559 0 50 FFAA CCS(=O)(=O)Nc1cnn(Cc2ncc(C(F)(F)F)cc2Cl)c1 263639899 NSGPCOGRUOHXMI-UHFFFAOYSA-N 368.768 2.760 0 50 FFAA O=C([C@H]1CCCO1)N1CCCN(Cc2cccc(OC(F)F)c2)CC1 377518772 IRUSISIDSNXXCB-MRXNPFEDSA-N 354.397 2.501 0 50 FFAA CCc1nc(C)c(CNC(=O)CCn2c(CO)nc3ccccc32)s1 299777949 NZHDDPRPKIMVMI-UHFFFAOYSA-N 358.467 2.562 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)N2CCc3c(ncnc3N(C)C)C2)cc1 299800813 VWJHEUANIXDJQN-AWEZNQCLSA-N 356.495 2.917 0 50 FFAA O=C1N(Cc2ccccc2)C=C(S(=O)(=O)c2ccccc2)C2=NCCN12 828410812 IKVPXOYJPRHHQE-UHFFFAOYSA-N 367.430 2.652 0 50 FFAA CCOc1ccc([C@@H](CC)NS(=O)(=O)c2cc(C(N)=O)cs2)cc1 822656470 IOKFCTLRVUFNQE-CQSZACIVSA-N 368.480 2.675 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCCN1CCCc2ccccc21 821502024 FFDROSBAQWAPFA-QGZVFWFLSA-N 362.477 2.827 0 50 FFAA O=C(c1ccco1)N1CCC[C@H]2CN(c3ccc4nccnc4n3)CC[C@@H]21 1875280517 QVVZMUTYBNULHI-HOCLYGCPSA-N 363.421 2.749 0 50 FFAA O=C(NCc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(Cc2cccnc2)C1 952869907 PBQXINUJSGYHRI-CQSZACIVSA-N 361.804 2.539 0 50 FFAA CNCCN1C(=O)CC[C@@H]2CN(Cc3cc(C4CCCCC4)no3)CC[C@@H]21 1565528337 HMTVQYZCPKHZQT-XLIONFOSSA-N 374.529 2.755 0 50 FFAA CCn1cc(C(=O)Nc2cc(C(=O)NC)ccc2C)c(C(F)(F)F)n1 281034899 USVQSYPGNVKLAJ-UHFFFAOYSA-N 354.332 2.842 0 50 FFAA CC1(C)CCc2nc(NC(=O)CCNC(=O)c3ccsc3)ncc2C1 225614498 ONSXLWOVBGPEQS-UHFFFAOYSA-N 358.467 2.812 0 50 FFAA O=C1CN(S(=O)(=O)c2cccc(C(F)F)c2)c2cccc(F)c2N1 780715379 KKGPRGWUPVJILO-UHFFFAOYSA-N 356.325 2.911 0 50 FFAA CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)N1 1506405614 BIHQPSAEQBWRBL-GOSISDBHSA-N 372.852 2.922 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCC([C@@H](O)c2cccs2)CC1 1506400654 OJIOXVRJWIAQDS-GOSISDBHSA-N 368.462 2.915 0 50 FFAA CCOc1cccc(CN2CCCN(C(=O)[C@H]3CCCCN3C)CC2)c1 1775984031 XXPPRHGWHABPRS-HXUWFJFHSA-N 359.514 2.604 0 50 FFAA Cc1ccccc1CNC[C@]1(O)CCCN(Cc2ccccc2F)C1=O 11843181 FYRBOWHCHIPUOT-OAQYLSRUSA-N 356.441 2.777 0 50 FFAA Cc1ncoc1C(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1 12705504 ADMXUFQXEBHSNU-HXUWFJFHSA-N 371.412 2.777 0 50 FFAA CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccc1 18222644 WIQAAFXWVGRNLM-HNNXBMFYSA-N 362.385 2.786 0 50 FFAA aggregator,biogenic CCOc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)ccc1OC 19228350 AWISNNBYGPGURX-IBGZPJMESA-N 362.514 2.905 0 50 FFAA Cc1ccc(NC(=O)[C@H](C)N2CCOCC2)c(C(=O)c2ccccc2)c1 19596528 QEUCCKADRGECAK-INIZCTEOSA-N 352.434 2.885 0 50 FFAA O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)NCc1ccccc1 169765563 OGBPNOMPMUCLLU-UHFFFAOYSA-N 361.445 2.905 0 50 FFAA CC1(C)CN(C(=O)c2cccn3cc(C(F)(F)F)nc23)[C@H]2COC[C@H]21 1857532221 DZBYYALOZRYXLR-NEPJUHHUSA-N 353.344 2.850 0 50 FFAA Cc1cc(C)c2c(CC(=O)N3C[C@@H]4CCOC[C@]4(C(=O)O)C3)coc2c1 1857669858 VYKXWFBGEBQFAP-MGPUTAFESA-N 357.406 2.542 0 50 FFAA O=C(NCCc1cnc[nH]1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857713419 IAYQYERLGJKXHW-UHFFFAOYSA-N 373.844 2.780 0 50 FFAA Cc1nc(CN2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)cn1C 1857731469 RGNHDNIFHFMPFP-HXUWFJFHSA-N 353.470 2.582 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3c[nH]nc3-c3cccc(F)c3)CCN12 1875248831 RGPWWMSGQSIKHW-RBUKOAKNSA-N 358.461 2.901 0 50 FFAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(=N)[nH]c43)CC2)ccc1Cl 1875250713 AHPRHEVOWDAVNG-UHFFFAOYSA-N 372.856 2.677 0 50 FFAA COc1cccc(N2CCC[C@H](NC(=O)c3cccc4c3OCO4)C2)c1 117181715 YCDCNBHBPDMQIA-AWEZNQCLSA-N 354.406 2.823 0 50 FFAA O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC12CCOCC2 238131730 VUTAVUHDOZHDFJ-AWEZNQCLSA-N 371.355 2.935 0 50 FFAA O=C(c1ccc(Cn2ccnc2)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 373599881 ALDWBYIYFJVTAC-JOCHJYFZSA-N 372.428 2.667 0 50 FFAA O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc2c1CCC2 497910516 JMDSDEQUQWSZBC-UHFFFAOYSA-N 350.462 2.938 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(CC(=O)O)cc3)C1)CC2 1704307768 DVLBOGZBXFCWHJ-OAQYLSRUSA-N 351.450 2.892 0 50 FFAA CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1cccc(-c2cnco2)c1 828172138 SSNRZTOJMUAPFH-MSOLQXFVSA-N 355.438 2.571 0 50 FFAA COc1ccc([C@H](CCO)NC[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 930187836 HNVYAAUGJVOKGM-XLIONFOSSA-N 370.449 2.630 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCC(c2cccc(Br)c2)CC1 861522540 YGHIUSNGEWFIOL-UHFFFAOYSA-N 365.271 2.800 0 50 FFAA COC(=O)c1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 716748 NZSVTFGDGVTNKF-UHFFFAOYSA-N 367.449 2.624 0 50 FFAA COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1C(C)(C)C(=O)OC 1142225 NLGLJCZPOUSZGA-HOTGVXAUSA-N 356.374 2.831 0 50 FFAA c1cc2c(cc1CCc1nc(Cc3ccc4c(c3)OCO4)no1)OCO2 2325736039 QSOQVHDBAXSFOC-UHFFFAOYSA-N 352.346 2.903 0 50 FFAA Brc1ccc(-c2cnc(CN[C@H]3CCc4nn[nH]c4C3)[nH]2)cc1 2325777686 VKACHIKEXMLPBD-LBPRGKRZSA-N 373.258 2.604 0 50 FFAA C[C@@H](CNC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)c1ncc[nH]1 2325781587 LGDYUVQRXRRKNC-QMMMGPOBSA-N 353.304 2.718 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CN[C@@H]3CCCC[C@@H]23)c1Cc1ccccc1 2325795496 IRKQDQAFGFKFKM-JENIJYKNSA-N 352.482 2.519 0 50 FFAA C[C@H]1C[C@@H]1c1nnc2ccc(=NCc3cc(C(F)(F)F)sn3)[nH]n12 2325796402 NTSJQUZOBKMOKE-CBAPKCEASA-N 354.361 2.757 0 50 FFAA Cc1cncc(N2CCC(c3nnn(-c4ccc(Cl)cc4)n3)CC2)n1 2325809724 BZBKZXKOHXZSKB-UHFFFAOYSA-N 355.833 2.798 0 50 FFAA O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@@H]1Cc1cccc(F)c1F 2325819077 QNOYCORVCAKHEJ-CABCVRRESA-N 359.438 2.871 0 50 FFAA CSc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1C(=O)O 2325852518 JPJCVSSYHRAKJT-UHFFFAOYSA-N 367.452 2.514 0 50 FFAA Fc1cccc(N2CCC[C@@H](Oc3cc(N4CCOCC4)ncn3)C2)c1 2325900067 JTHLBKNPSIFGTD-QGZVFWFLSA-N 358.417 2.500 0 50 FFAA O=C(CCc1ccc(Cl)cc1)N1CCC[C@@](O)(CN2CCCC2)C1 77455233 OBGCSUCKTXGHIA-LJQANCHMSA-N 350.890 2.722 0 50 FFAA Cc1ccn(C(=O)CS(=O)(=O)CC(C)C)/c(=N/C2CCCCC2)c1 120065426 BLEJZRGLPWTKNO-HTXNQAPBSA-N 352.500 2.741 0 50 FFAA Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O 653011 FWSJEEHXORSKTH-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 786516 ICWHWXWJZJIQGO-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCc2ccccc21 2633632 FXGZRNKEKLTDGB-UHFFFAOYSA-N 356.447 2.674 0 50 FFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O 4819846 TXUHRMCLKOJDLK-JLHYYAGUSA-N 364.423 2.869 0 50 FFAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 4820770 RNDJVHWAJPQTHF-UHFFFAOYSA-N 368.798 2.594 0 50 FFAA C[C@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)[C@@H]1CCCO1 6698494 DGWGGUFFIOUBAC-ZANVPECISA-N 366.211 2.853 0 50 FFAA Cc1nn(C)c(C)c1CN(CCO)C(=O)CC12CC3CC(CC(C3)C1)C2 55088974 IOGQBHHNSMYPPP-UHFFFAOYSA-N 359.514 2.964 0 50 FFAA Cn1nccc1CCC(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506424063 HGFACTIXWXAOCA-UHFFFAOYSA-N 355.417 2.774 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccccn1)Cc1ccco1 65373341 SENGHPQBTMCBFQ-UHFFFAOYSA-N 351.406 2.833 0 50 FFAA Cn1c(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc2ccccc21 20721374 LWWYUXVIGJUERR-UHFFFAOYSA-N 365.408 2.916 0 50 FFAA CC1=C(C(=O)NCCSc2ccccn2)[C@@H](c2cccs2)NC(=O)N1 67935323 SMEDDELDIFLXDE-OAHLLOKOSA-N 374.491 2.680 0 50 FFAA C[C@@H](NC(=O)c1cnnn1-c1ccccc1)c1ccccc1-n1cccn1 65436024 LMDAJKBDCNENTM-OAHLLOKOSA-N 358.405 2.944 0 50 FFAA COCCN1CCC(CN2CCN(c3ccnc4ccccc34)CC2)CC1 67689249 CMTNWGOHFCIYGP-UHFFFAOYSA-N 368.525 2.715 0 50 FFAA COC[C@@H]1CCN(C(=O)c2cc(Cn3cnc4cc(C)c(C)cc43)[nH]n2)C1 11935081 AMTCZKCEBQTQSF-OAHLLOKOSA-N 367.453 2.533 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)NCc3nc(C(=O)O)cs3)cc12 124181048 RUGJMANGNPKXGR-UHFFFAOYSA-N 364.452 2.843 0 50 FFAA Cc1c(Cl)c(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)nn1C 72152481 YXBNCRNDXXSQRQ-CYBMUJFWSA-N 361.829 2.785 0 50 FFAA C[C@@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)Oc1cccnc1 72469700 NTERRONYAGCUTG-ZDUSSCGKSA-N 361.409 2.700 0 50 FFAA CCc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 365667683 ASQGKYLAAUAONF-HUUCEWRRSA-N 359.430 2.584 0 50 FFAA C[C@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 237538579 YTXHGXRYPXMVLD-NEPJUHHUSA-N 359.344 2.901 0 50 FFAA CC[C@@H](CO)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72133833 NZWUEEZVTGYYSS-NRFANRHFSA-N 366.505 2.586 0 50 FFAA COC1CCN(S(=O)(=O)N2CCCC[C@@H]2CCc2cccs2)CC1 77457212 PLHYBBPBQZOIKO-OAHLLOKOSA-N 372.556 2.891 0 50 FFAA O=C(CNc1ccc(C2CC2)c(F)c1)N1CCC(C(=O)N2CCCC2)CC1 240423795 FQWJNLVKMOTUTJ-UHFFFAOYSA-N 373.472 2.976 0 50 FFAA O=C(CCn1cnnc1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 72431514 RLHQPCWZNFEYOK-NRFANRHFSA-N 367.497 2.573 0 50 FFAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 246047238 ASEQMRUWVBGTBY-ORDFZIBCSA-N 366.527 2.688 0 50 FFAA Cc1ccccc1OC[C@@H](O)C(=O)NC1CCN(c2ccccc2)CC1 222807220 ZTQJVCSNSJPSPD-LJQANCHMSA-N 354.450 2.520 0 50 FFAA CC(=O)Nc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)cc1 95356349 JWIKFEDLHIZSAH-AZUAARDMSA-N 367.497 2.773 0 50 FFAA CCCCOCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95383336 SEBNBPYIIXKRDC-CEWLAPEOSA-N 358.482 2.598 0 50 FFAA COCCOC1CCN([C@@H](C(=O)O)c2cc(C)c(OC)c(C)c2)CC1 95356778 RNNZLARWKYLKDO-QGZVFWFLSA-N 351.443 2.565 0 50 FFAA O=C(NCCc1nc(-c2ccccn2)no1)c1c[nH]nc1C1CCCCC1 91586434 BWWKJNMIISUDNQ-UHFFFAOYSA-N 366.425 2.875 0 50 FFAA CCN(C)S(=O)(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 91794501 VRCNUORHPUBMOG-INIZCTEOSA-N 362.499 2.672 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(c2nc(-c3ccccc3)no2)C1 95519967 JCJRFZXEXQREBV-MRXNPFEDSA-N 353.426 2.964 0 50 FFAA Cc1ccc2[nH]nc(C(=O)N3C[C@@H](C(=O)O)[C@H](c4ccc(F)cc4)C3)c2c1 91695576 IEVWALZQRVQHSS-JKSUJKDBSA-N 367.380 2.951 0 50 FFAA Cc1cc(CN2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)ccc1F 91616728 UWHMBUKAJRPQAG-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA Cc1ccccc1CN1CCN(C(=O)C(=O)CCc2ccccc2)CC1 244884102 YFIAMRYAPXAHMM-UHFFFAOYSA-N 350.462 2.841 0 50 FFAA COc1ccc(CNC(=O)CCN2CC[C@@](O)(c3ccccc3C)C2)cc1 252495449 OQMGWQVCLAVAMW-QFIPXVFZSA-N 368.477 2.603 0 50 FFAA O=C1NC[C@H](NCc2cc(F)cc(F)c2)n2nc(-c3ccc(F)cc3)cc21 263615602 DEFKYBMLEFLBKV-GOSISDBHSA-N 372.350 2.999 0 50 FFAA Cc1n[nH]c(C2CCN(C(=O)c3ccc(-c4ccccc4)nc3O)CC2)n1 299766853 SPIBKKNKLABQJF-UHFFFAOYSA-N 363.421 2.901 0 50 FFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCN2CCCCCC2=O)C1 299800337 WYRFGGORDOJDEW-LJQANCHMSA-N 371.525 2.726 0 50 FFAA COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]c(C)c4C3)C2)c1 1875293068 BGKDEQOCZYSUOI-GJZGRUSLSA-N 369.465 2.856 0 50 FFAA COc1cc2c(N[C@@H](C)c3ccc(OCC(N)=O)cc3)ncnc2cc1F 1875262510 DPCWFRFIYOXWOI-NSHDSACASA-N 370.384 2.815 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C 1875376079 YPQLVIKEHSGRGX-TUPIDYKKSA-N 353.507 2.646 0 50 FFAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)COc2cc(C)ccc2C)C1 1875396054 UNHDCQMMPGFGOM-CLOONOSVSA-N 364.511 2.935 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ccc(F)c(F)c3F)n[nH]c21 1875393929 RJLUGFYUPXEJHE-BDAKNGLRSA-N 353.344 2.822 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@H](CN2CCCCC2)C1 952974185 YSRZIECSZKMDOM-LJQANCHMSA-N 365.543 2.561 0 50 FFAA CC(=O)c1ccc(OCC(=O)N[C@H]2CCOC[C@@H]2OCC=C(C)C)cc1 1565508952 SWBLHHINQQFANN-OALUTQOASA-N 361.438 2.525 0 50 FFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CC(NC(=O)C2CCC2)C1 188490003 XGUDVPFEOSOHKY-UHFFFAOYSA-N 355.463 2.859 0 50 FFAA Cn1cc(CNC(=O)c2c[nH]nc2-c2ccsc2)c(C(F)(F)F)n1 188860103 CARBOJGZLJFHBM-UHFFFAOYSA-N 355.345 2.821 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc1 225453362 COZNGQSOBKJVOR-DOTOQJQBSA-N 374.510 2.720 0 50 FFAA CS(=O)(=O)N1CCc2cc(-c3csc(C4CCNCC4)n3)ccc21 225500531 NNAFSJFOYLKYFU-UHFFFAOYSA-N 363.508 2.599 0 50 FFAA O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cnc2ccc(F)cc2c1 225696119 HWBPRQUEXXSLEE-UHFFFAOYSA-N 369.381 2.755 0 50 FFAA O=C(NCc1nccs1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 111473426 XMKZIXXYRQLHOJ-LBPRGKRZSA-N 366.437 2.885 0 50 FFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)Cc1c[nH]c2ncccc12 190832988 CFPXQTVVVYRWDE-UHFFFAOYSA-N 373.359 2.887 0 50 FFAA Cc1cc(-n2ccnc2)ccc1CN1CCC(N2CCO[C@@H](C)C2)CC1 191957597 QJBGAZWARUJQEJ-SFHVURJKSA-N 354.498 2.866 0 50 FFAA CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)CCc2ccncn2)CC1 192366512 FVTKHQQVAWOMNP-IBGZPJMESA-N 374.435 2.983 0 50 FFAA Cc1noc2ncnc(N[C@H](Cc3ccccc3)C(=O)N3CCCC3)c12 192512894 OEJWITGNXSSPQL-OAHLLOKOSA-N 351.410 2.572 0 50 FFAA Cc1c(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)ccn1C 195300903 GGXPZRMQUGHPIU-NRFANRHFSA-N 369.509 2.851 0 50 FFAA CN(C)CCc1nnc(NC(=O)CCc2nc3ccccc3s2)s1 1529162079 UNABMWWFMWKQGR-UHFFFAOYSA-N 361.496 2.823 0 50 FFAA COc1cccc([C@@H]2CCN(c3nc(C)c(C)cc3C(N)=O)C2)c1OC 1529162131 WRKKXVLBZNLXQZ-CQSZACIVSA-N 355.438 2.808 0 50 FFAA O=C(CCN1CCCO1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 210229593 HSSCQKDMNHEXFP-UXHICEINSA-N 354.450 2.544 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccncc3)CC1)OCC2 1704299270 HLIWEVGGCIOSFM-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 1704325617 QRKYTLRVNKYBOH-UHFFFAOYSA-N 368.403 2.870 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CC34CC4)CC1)OCC2 1704300024 UQJCPRUHZHHGOH-INIZCTEOSA-N 357.450 2.894 0 50 FFAA NC(=O)[C@H]1CC=CC[C@@H]1NCc1cn(-c2ccccc2)nc1-c1ccncc1 1615697312 DSNJRMJUADFRGG-PMACEKPBSA-N 373.460 2.844 0 50 FFAA Cc1noc(C)c1-c1nc2c(s1)CC[C@H](C(=O)NCCc1cnc[nH]1)C2 1772812467 LVLSSSCTOOQQTE-LBPRGKRZSA-N 371.466 2.602 0 50 FFAA Ic1cccc(Cn2nnc(-c3ccccc3)n2)c1 5776026 UQOZQJGXPXYFLF-UHFFFAOYSA-N 362.174 2.993 0 50 FFAA Cc1nc(CNC(=O)c2cn(Cc3ccc(F)cc3Cl)nn2)cs1 11662240 BINXIXWFXHUCBY-UHFFFAOYSA-N 365.821 2.814 0 50 FFAA COc1ccc(C(=O)N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)o1 11840001 OFQBVPOEUXEUKY-UHFFFAOYSA-N 368.345 2.870 0 50 FFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)Cn1cccn1 12072805 CXYAYQYKAAQPNN-IBGZPJMESA-N 372.488 2.825 0 50 FFAA CCc1nc(C)c(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)[nH]1 12301730 WYFLPNKAPXOAGS-KRWDZBQOSA-N 362.518 2.568 0 50 FFAA CC(C)N(Cc1cnn(C)c1)c1nc2nonc2nc1NC1CCCC1 12314333 XTOUZIYAQAMIMG-UHFFFAOYSA-N 356.434 2.516 0 50 FFAA CCCc1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 12594978 JQYAVMHKZQDDMD-HNNXBMFYSA-N 373.428 2.821 0 50 FFAA COCCN1C(=O)N(Cc2ccccc2)C2(CCN(CC(C)C)CC2)C1=O 14536002 DSFAYLXAWSXAFP-UHFFFAOYSA-N 373.497 2.588 0 50 FFAA Ic1ccc2c(I)n[nH]c2c1 14983496 XHVJIWVECAQYNF-UHFFFAOYSA-N 369.931 2.772 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccccc3C)C2)nn1 14996234 ROCJBMPVFYSCBQ-SFHVURJKSA-N 355.486 2.906 0 50 FFAA COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2C)CC1 16579074 GCAHAQUJQPGUJT-UHFFFAOYSA-N 360.479 2.656 0 50 FFAA O=C(NCCc1cccc2ccccc12)c1cc(CN2CCOCC2)on1 19720776 PFJAOFORUWAJKT-UHFFFAOYSA-N 365.433 2.633 0 50 FFAA Cc1cc2cc(NC(=O)Cn3ncc(N4CCCC4)cc3=O)ccc2o1 19744086 RXNUJGHOIHDPFT-UHFFFAOYSA-N 352.394 2.537 0 50 FFAA CC(C)c1ccc(O[C@H](C)C(=O)N2CCC(NC(=O)N(C)C)CC2)cc1 169895498 IURXCEVBNJEMND-OAHLLOKOSA-N 361.486 2.840 0 50 FFAA c1cnc(N2CCC3(CC2)OCCc2cc(O[C@H]4CCOC4)ccc23)cn1 1857698250 ZLBFBBNHCJOQSI-SFHVURJKSA-N 367.449 2.713 0 50 FFAA Cc1cncc(N2CCC3(CCc4c(O)nc(-c5cccnc5)nc43)CC2)n1 1857737180 ACAFMGPSEKJKBL-UHFFFAOYSA-N 374.448 2.827 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@](O)(C(F)(F)F)C2)ncn1 328639481 PODQKWHSNFONGD-VBNZEHGJSA-N 374.407 2.596 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 238089938 XZGWVBRMUXGQIH-CFVMTHIKSA-N 353.365 2.551 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 238089790 YZZHXJWSWDJHIW-GUTXKFCHSA-N 353.365 2.551 0 50 FFAA Cc1cc(C(=O)N[C@H](CC(F)F)C(=O)O)c(C)cc1Br 262926857 GQCGYYGVVRZZFX-SNVBAGLBSA-N 350.159 2.904 0 50 FFAA CC1(C)C[C@H](NCCNS(=O)(=O)c2cccc(Cl)c2)C(C)(C)O1 162095813 XGQAAZLJBNFLPI-AWEZNQCLSA-N 360.907 2.554 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(CCC(=O)Nc2ccc(C(N)=O)cc2)C3)cc1 2325779137 INPGOUHEEVQMOT-XMSQKQJNSA-N 363.461 2.696 0 50 FFAA CN(C)CCn1cnc2cc(N=c3[nH]nc(C(F)(F)F)s3)ccc21 2325780885 WDXHESPVLPPQMC-UHFFFAOYSA-N 356.377 2.634 0 50 FFAA CN(Cc1cc2c(s1)CCNC2)Cc1cc(Br)nn1C 2325788905 QNCOWQVIUULJCX-UHFFFAOYSA-N 355.305 2.522 0 50 FFAA O=C(Cc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2ccncc2)CC1 2325808019 UOHKPUFYHZJPQE-INIZCTEOSA-N 362.437 2.601 0 50 FFAA N=c1cc(N)nc(SCCOc2cc(F)ccc2Br)[nH]1 2325842797 IVYJCIRRBCGXMS-UHFFFAOYSA-N 359.224 2.544 0 50 FFAA CC(=O)N[C@]12CCOC[C@H]1CN(C(=O)c1ccc(C3=CCCC3)cc1)C2 2325848281 CTWVKVKLGWOOLE-CTNGQTDRSA-N 354.450 2.621 0 50 FFAA COc1ccc(-n2nc(CC3CCCC3)nc2C[C@@H]2COC[C@H]2O)cc1 2325848359 DUHCMMUWZIORRJ-CRAIPNDOSA-N 357.454 2.558 0 50 FFAA O=C(NCCn1cncc1-c1ccccc1)c1cc(F)cc2c1CNCC2 2325858429 MPSXJRLERVFRNN-UHFFFAOYSA-N 364.424 2.765 0 50 FFAA N[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)C1 237919208 HNSRBQKLRIQHBY-NSHDSACASA-N 365.264 2.841 0 50 FFAA COc1ccc(C)cc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 2981893 PZRWEIQCTRRYMB-UHFFFAOYSA-N 366.414 2.547 0 50 FFAA Cc1ccc(C)c(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c1 2985661 XXAVRPVEKHKAEC-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 4321036 NNMNPMAXQJPMDB-UHFFFAOYSA-N 357.435 2.594 0 50 FFAA COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1OC 4386320 IQNMJUIUQQRRJS-UHFFFAOYSA-N 372.421 2.851 0 50 FFAA CCOC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 4677022 NRSGDQPFBMDERC-UUILKARUSA-N 369.782 2.668 0 50 FFAA CCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)O 4761916 PROMKSSJWWAGTP-CWRNSKLLSA-N 364.442 2.697 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(CCc2ccccc2)CC1 6742628 XIVKBHMAJIFYJK-NTFDOXNWSA-N 370.493 2.510 0 50 FFAA CC(C)Cc1cc(-c2nn3c(=O)c(-c4ccccc4)nnc3s2)[nH]n1 8992767 XLTJYFNXBABVSI-UHFFFAOYSA-N 352.423 2.802 0 50 FFAA O=C(CCCOCc1ccccc1)N1CCC(C(=O)N2CCCC2)CC1 50555993 NGJFIAXKEAULCU-UHFFFAOYSA-N 358.482 2.844 0 50 FFAA CCn1c([C@@H]2CCCNC2)nn(Cc2c(F)ccc(C)c2Cl)c1=O 67674068 KMFMUUFMXNRGMZ-GFCCVEGCSA-N 352.841 2.681 0 50 FFAA CCCN1C[C@H](c2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)CCC1=O 65529545 RJMMKHNRVPVQKP-CQSZACIVSA-N 368.437 2.989 0 50 FFAA CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cnn(C)c2)[C@H]1c1ccccc1 61721044 XBHOEJPBWUNQTC-RBUKOAKNSA-N 360.417 2.969 0 50 FFAA Cc1cc(CN(C[C@H]2CN(C)CCO2)C(=O)CCc2ccoc2)c(C)[nH]1 252537254 KUHGYGQCUYCTPD-LJQANCHMSA-N 359.470 2.517 0 50 FFAA CN(Cc1ccc2cn[nH]c2c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284936335 VAKBXPIAAAHHJM-FXAWDEMLSA-N 352.486 2.811 0 50 FFAA C[C@@H](O)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 2389805 YBKRZKSVPNEMQK-XIKOKIGWSA-N 355.390 2.701 0 50 FFAA biogenic,in-vitro CNC(=O)c1ccc([C@@H]2CCCCN2C[C@H](O)c2ccc(F)cc2)n1C 328628670 HMDBBZSMDIKIHG-HKUYNNGSSA-N 359.445 2.784 0 50 FFAA O=S(=O)(c1ccccc1)N1CCC(O)(CSc2ccccc2)CC1 6241584 VFBVJAKDWXILHN-UHFFFAOYSA-N 363.504 2.995 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCc3nnc(N)s3)n2n1 72456789 PWPNCBREFXWNQT-UHFFFAOYSA-N 351.439 2.793 0 50 FFAA Cc1c(-c2ccc3oc(Cc4ccccc4)nc3c2)c(=O)n(C)c(=O)n1C 32516013 DHLMSZYVOQEJNU-UHFFFAOYSA-N 361.401 2.791 0 50 FFAA Cn1nnnc1CN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 433289768 QONGQTBCYRYDBQ-ZDUSSCGKSA-N 355.364 2.581 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 128254129 WNHDRGHEEUPNAU-CQSZACIVSA-N 352.843 2.885 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@H](C)Cc3cnccn3)c12 72418679 RBLRXURURNLIBF-GFCCVEGCSA-N 360.425 2.567 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1c(O)cc(F)cc1F 130286639 RRXNIXLDIWOAOM-OAHLLOKOSA-N 360.360 2.591 0 50 FFAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)ccn1 77538335 UHUJDPOULXERSM-HXUWFJFHSA-N 353.470 2.565 0 50 FFAA Cc1cc(C)n(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2cnn3C)n1 72165188 CKYOWMYXQXVOCX-CYBMUJFWSA-N 362.441 2.739 0 50 FFAA Cc1nccn1C1(C(=O)O)CCN(Cc2cccc3cccnc23)CC1 72421706 GVDMQKOXSIXMNW-UHFFFAOYSA-N 350.422 2.816 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2=O)cc1 77394321 YZQNJYDLZNVLLN-QGZVFWFLSA-N 368.481 2.747 0 50 FFAA O=C(O)CCN1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77341699 KCENBPVQGCABNH-UHFFFAOYSA-N 350.846 2.629 0 50 FFAA CN1CCN(c2ccc(C(=O)N[C@@H]3COC4(CCCCC4)C3)cc2)CC1 222445340 AQHGSGZYARSJLG-SFHVURJKSA-N 357.498 2.660 0 50 FFAA Cc1cc(C)n(CCNC(=O)N2CCC([C@H](O)c3cccs3)CC2)n1 426522872 KYLSEAMGXYZBEP-KRWDZBQOSA-N 362.499 2.717 0 50 FFAA CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c1 290987043 FIHGVQVGHLSXDO-AWEZNQCLSA-N 372.856 2.902 0 50 FFAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1ccc(C(F)(F)F)nc1)CC2 426606787 RZLKQCXOXNOFAA-HYVNUMGLSA-N 374.403 2.621 0 50 FFAA CCCCc1nc(CN2CCC(Cc3nncn3C)CC2)c(Cl)[nH]1 82120644 AHECCZCKYGTDDU-UHFFFAOYSA-N 350.898 2.989 0 50 FFAA Cc1nccn1CC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426477367 JOMUJQHAQCQOEG-WFXMLNOXSA-N 367.449 2.689 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2cccc(N3CCOC3=O)c2)o1 96138312 ZEVRHNFBWRKATH-UHFFFAOYSA-N 359.386 2.643 0 50 FFAA CCn1c(C)cc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1C 91269776 QDPYUZSHNDPGLI-OAQYLSRUSA-N 357.498 2.990 0 50 FFAA CCc1ncc2c(n1)CN(C(=O)c1ccc(-c3ccc(OC)nn3)cc1)C2 426386272 HQRSIHJOTYVUES-UHFFFAOYSA-N 361.405 2.661 0 50 FFAA CN1CCCN(C)C2(CCN(Cc3cc(O)c4cccc(F)c4n3)CC2)C1 91575352 XALVIGUHSOZFSI-UHFFFAOYSA-N 372.488 2.681 0 50 FFAA COc1ccc(-c2cc(C(=O)NCCCn3cc(Cl)cn3)[nH]n2)cc1 91645000 LHYPRIAWFGDJHW-UHFFFAOYSA-N 359.817 2.755 0 50 FFAA O=C(O)c1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1 91410333 ZFHTXVXAJDACCU-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 92064816 TWTMXCPQVZIFER-OAQYLSRUSA-N 354.450 2.754 0 50 FFAA O[C@@H](Cn1cc(-c2ccc(-c3nnn[nH]3)cc2)nn1)c1ccccc1Cl 95357696 RYXYFOBVKCPGFL-INIZCTEOSA-N 367.800 2.512 0 50 FFAA CN(C)C(=O)C[C@@H]1CN(C(=O)c2cnn3c2CCC3)c2ccc(Cl)cc21 295794382 KDAWQRGIKZCQNI-GFCCVEGCSA-N 372.856 2.705 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(c1cc(C(F)(F)F)ccn1)CCN2C 95352433 UTOCXDLNRHCNOG-QGZVFWFLSA-N 370.419 2.623 0 50 FFAA CNC(=O)c1noc2c1CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 91616665 MWDMKKAXGBEPPD-UHFFFAOYSA-N 357.454 2.525 0 50 FFAA CCCn1ncc(C(=O)N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)c1C 91663692 LZIPDICVPPIKRP-AZUAARDMSA-N 354.498 2.894 0 50 FFAA Cc1cnc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)[nH]1 91594373 FEEZDBRDZFULIV-UHFFFAOYSA-N 353.470 2.518 0 50 FFAA Cc1nc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)c2cccnc2n1 95360609 WIMFSNPHXITCLF-HXUWFJFHSA-N 353.470 2.951 0 50 FFAA O=C1C[C@@H](n2nc(C34CC5CC(CC(C5)C3)C4)oc2=S)[C@H]2CO[C@H]1O2 607748631 WMNBRSOAKOGCEM-KHRDTGBESA-N 362.451 2.929 0 50 FFAA CCc1c(C)nn(CC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)c1C 299778689 NDBGQWZMXVXOQY-LJQANCHMSA-N 368.525 2.976 0 50 FFAA CCNC(=O)c1ccc(NC(=O)NCc2nnc(CC)s2)cc1Cl 299799535 HBUMJGPRSPHDOF-UHFFFAOYSA-N 367.862 2.825 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)N[C@@H]3CCN(C(C)(C)C)C3)CC2)n1 584893825 QHQLULVCMHMBIV-OAHLLOKOSA-N 363.506 2.955 0 50 FFAA CNC(=O)[C@H](NC(=O)NCC1(N2CCCC2)CCCCC1)c1ccccc1 584898451 BCBWGVYYRMADJA-GOSISDBHSA-N 372.513 2.572 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@](C)(c2noc(C)n2)C2CC2)cc1 1875373783 OQPTWGPSAFAWTO-LJQANCHMSA-N 354.410 2.582 0 50 FFAA CC[C@@H]1CN[C@H](C(=O)NC[C@H](CCO)c2ccc(C(F)(F)F)cc2)C1 1875301326 FJWGXNGVIPPNJQ-NOLJZWGESA-N 358.404 2.676 0 50 FFAA CN(CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)Cc2n[nH]c3c2CCCC3)C1 1875333633 FIVBSHGUGJATOS-MRXNPFEDSA-N 358.530 2.800 0 50 FFAA O=C(c1cnsc1)N1CC2(CC2)C[C@H]1CNC(=O)C1(C2CCC2)CC1 1875408291 SFJUTNRQCRWYST-HNNXBMFYSA-N 359.495 2.834 0 50 FFAA Cc1nc(O)cc(N2CCC3(CC2)C[C@@H](C)N(C(=O)[C@@H]2CC2(C)C)C3)n1 1875407579 DBEHHSPTGGEFRU-HIFRSBDPSA-N 358.486 2.744 0 50 FFAA O=C(N[C@@H]1CC[C@H]2C[C@H]1CN2C(=O)c1ccns1)[C@@H]1C[C@H]2CCC[C@H]21 1875406602 ICLASHPBGVUCHJ-HIFUNWJGSA-N 359.495 2.689 0 50 FFAA COc1cc(C(=O)O)c(Cl)c(C(=O)N(Cc2cncn2C)C(C)C)c1 1875286416 QTZSGZYCBVWMPD-UHFFFAOYSA-N 365.817 2.831 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)CN(C)Cc2ccc(C)cc2)c1 952972763 FCGYAXOWQBGGKG-UHFFFAOYSA-N 369.465 2.959 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73990567 WDPBADCATRQZFF-MJGOQNOKSA-N 352.482 2.727 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cccc([C@H]4CCOC4)c3)CCO2)o1 275458035 TYVCHEKEGRKJLB-IRXDYDNUSA-N 371.437 2.911 0 50 FFAA C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](N(C)CC(=O)O)CC1 186662445 FTLXVGLDJSOSRL-CRAIPNDOSA-N 364.461 2.792 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@@H](C)OC2CCCCCC2)CC1 186629235 KFVQWORHZABVNG-OAHLLOKOSA-N 354.491 2.512 0 50 FFAA CCS(=O)(=O)c1c(Cl)cccc1CN1CC[C@@H](c2cnn(C)c2)C1 187004841 GYZFPTQRHMGKFC-CYBMUJFWSA-N 367.902 2.857 0 50 FFAA CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2coc(C3CCC3)n2)cc1 192790895 VRHYDUPFRJSDBY-HNNXBMFYSA-N 371.437 2.624 0 50 FFAA O=C(Cc1nc2ccccc2o1)N(Cc1ccccn1)C[C@H]1CCCO1 1506420003 PTVLNBWXZIXFLQ-MRXNPFEDSA-N 351.406 2.973 0 50 FFAA CCn1c(C)ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c1=O 212028392 QQKLNYJYAYHVKX-ROUUACIJSA-N 357.498 2.513 0 50 FFAA CCOc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1OCC 1529155414 SBZPWPBYUDJFPX-IXDOHACOSA-N 374.481 2.813 0 50 FFAA CNc1nc(C)c(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H](NC(C)=O)C2)s1 216238763 RPAOAQCYZHQEGE-CVEARBPZSA-N 372.494 2.546 0 50 FFAA CNc1nc(C(=O)N2CCC3(CC2)OCCc2cc(OC)ccc23)cs1 1704315342 STYXXTPYKJNFAW-UHFFFAOYSA-N 373.478 2.898 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1 1704327863 UAPBGEVLBZNXKP-VQIMIIECSA-N 374.506 2.915 0 50 FFAA CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 5459428 ADPYSONKPUYLLO-UHFFFAOYSA-N 353.407 2.800 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CN(C)Cc3csc(C)n3)C2=O)c1 11702074 FRWUOIMHRCYFMN-FQEVSTJZSA-N 373.522 2.745 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)no1 13745557 PYHDGEUQPDXYCV-LBPRGKRZSA-N 363.439 2.798 0 50 FFAA CCN(CC)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 14745974 YRENDWKQWNDAQR-OAHLLOKOSA-N 358.486 2.967 0 50 FFAA CCN(CC)C(=O)c1cc(NC(=O)c2ccccn2)c(OC)c(OC)c1 15107280 PBJRNUFPMQKJPL-UHFFFAOYSA-N 357.410 2.833 0 50 FFAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCC(O)(c3cccnc3)CC2)c1 19743671 JDSWPPBXYDKUOO-QGZVFWFLSA-N 354.450 2.976 0 50 FFAA O=C(N[C@H]1C[C@@H](Cn2ccnc2)C[C@@H]1O)c1c[nH]cc1-c1ccc(F)cc1 1857527304 CHQVZLAYIIETCB-VMDGZTHMSA-N 368.412 2.587 0 50 FFAA C[C@H](CNc1nc2ccccc2nc1N1CCCC1)CN1CCOCC1 301858067 BLQIIDJHAHHLDK-MRXNPFEDSA-N 355.486 2.610 0 50 FFAA Cc1c(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)oc2c1C(=O)CCC2 408118321 QBRJFJPPKSCZIX-UHFFFAOYSA-N 358.438 2.580 0 50 FFAA COc1cc(C(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)ccc1F 119396277 OHLOBJXEOGQYME-HNNXBMFYSA-N 369.458 2.796 0 50 FFAA CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(OC3COC3)cc2)cn1 328602133 AKFPKCYRWQARJH-RBUKOAKNSA-N 371.437 2.958 0 50 FFAA NC(=O)c1cc([C@H]2CCCN(Cc3ncc(Cl)cc3Cl)C2)[nH]n1 332324807 ODKBECHXPXVLIS-VIFPVBQESA-N 354.241 2.590 0 50 FFAA CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 363405913 UPACZLZVVYCCPQ-MRXNPFEDSA-N 360.797 2.650 0 50 FFAA Cn1nccc1NC(=O)C1(c2ccc(Br)cc2)CCOCC1 155405523 XXPZVPOITWTOLL-UHFFFAOYSA-N 364.243 2.870 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 901000023 UKSJUMHWIMRQKD-UHFFFAOYSA-N 354.372 2.741 0 50 FFAA Cc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)c2c(C)noc2n1 2100541243 XQIGZFDFTYICNY-UHFFFAOYSA-N 359.411 2.559 0 50 FFAA Cc1cc(C)c(CC(=O)NC2(CNC(=O)[C@@H](C)OCC3CC3)CC2)c(C)c1 2325794332 YVSPPIAZKQDELU-QGZVFWFLSA-N 372.509 2.734 0 50 FFAA O=C(NCc1nc(-c2cccnc2)cs1)[C@H]1CNCc2ccccc21 2325858383 LDVVDPJVMRKPFA-INIZCTEOSA-N 350.447 2.708 0 50 FFAA Cc1ccc(-c2nc(O)n[nH]2)cc1NC(=O)c1cccc(C2(F)CNC2)c1 2325860054 WBEJXEUCRMNNKY-UHFFFAOYSA-N 367.384 2.506 0 50 FFAA O=C(O[C@H]1CN2CCC1CC2)C(CO)(c1ccccc1)c1ccccc1 622135 VHKOZTIPJRRUQY-FQEVSTJZSA-N 351.446 2.602 0 50 FFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 681031 TXDFLAUUUAAFQP-UHFFFAOYSA-N 358.419 2.999 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1N 731728 LGNSEVSNCABSJA-UHFFFAOYSA-N 374.857 2.747 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)N1CCc2nc(-c3ccccc3)nn2CC1 2356168119 QMDDHLBUWYHRQL-MRXNPFEDSA-N 362.433 2.797 0 50 FFAA CCOc1cccc(OCCOCCn2cnc3ccccc3c2=O)c1 3462354 JGOQNISANJPYCG-UHFFFAOYSA-N 354.406 2.891 0 50 FFAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731735 SZDWWMIKLBSDJW-CYBMUJFWSA-N 361.804 2.904 0 50 FFAA COC(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 10451100 ZHUDKQJQNWEHLC-UHFFFAOYSA-N 352.434 2.868 0 50 FFAA O=C(NCCc1nc(-c2cccnc2)no1)Nc1nnc(C2CCC2)s1 23380299 JUMBEFCUOIHYPM-UHFFFAOYSA-N 371.426 2.615 0 50 FFAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1c[nH]cn1 55073135 XYBISWLLDSDRKP-LJQANCHMSA-N 359.437 2.915 0 50 FFAA CCCc1cc(C(=O)NCc2ccccc2N2CCC(CO)CC2)[nH]n1 55306865 RBCIOAVFEZTSGO-UHFFFAOYSA-N 356.470 2.501 0 50 FFAA C[C@@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]1CO 249140811 XVKPLSOUHPOWPI-WBMJQRKESA-N 350.260 2.838 0 50 FFAA COc1cccc(OC)c1CC(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 467709219 RJSJTVSEVNBVFP-UHFFFAOYSA-N 373.359 3.553 0 50 FFAA CCOC(=O)N1CCC(N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 65497150 CPDMNIPHOJRMTG-UHFFFAOYSA-N 372.469 2.879 0 50 FFAA CN1CCN([C@@H](c2cccs2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 23116750 ZGHHPRJBTVZHCE-ICSRJNTNSA-N 369.490 2.762 0 50 FFAA Cc1nc(Cn2nc(Cl)ccc2=O)n(-c2ccc(Cl)cc2C)n1 65409957 OTDQQOXTDFCKLK-UHFFFAOYSA-N 350.209 2.796 0 50 FFAA COc1ccc(-c2nc3ccccc3[nH]2)cc1OCCN1CCOCC1 67688567 URIAAUXRPPMCKT-UHFFFAOYSA-N 353.422 2.950 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N3CCCC[C@H]3c3nc(O)n[nH]3)cc12 329481042 VRKPJVOFYMMDDC-NSHDSACASA-N 374.470 2.949 0 50 FFAA Cc1ccc2cc(C(=O)N3CCN(C)[C@@H](c4nc(C5CC5)no4)C3)[nH]c2c1 284691481 PWXRCDXYPAOQNC-QGZVFWFLSA-N 365.437 2.866 0 50 FFAA CCOC(=O)c1cn(CC)c2cc(N3CCSCC3)c(F)cc2c1=O 759548 XADSQZGECRVVHC-UHFFFAOYSA-N 364.442 2.890 0 50 FFAA C[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)O)CC1 173854847 XNWNMTBBPYESPS-ZDUSSCGKSA-N 355.276 2.993 0 50 FFAA Nc1c(Cl)cc(C(=O)NCc2nnc(S)n2C2CC2)cc1Cl 152698454 DXZPGTRFMZMFDZ-UHFFFAOYSA-N 358.254 2.721 0 50 FFAA CC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)n(C)c1 363349788 SAXSGNIIKVDJAZ-INIZCTEOSA-N 353.466 2.964 0 50 FFAA CCCC(CCC)N1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 72479462 PNBKDRMHRLUYCC-QGZVFWFLSA-N 363.550 2.796 0 50 FFAA CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC[C@H]1CC(=O)O 263036738 VILMYSDMPPTGAV-LRDDRELGSA-N 366.845 2.560 0 50 FFAA CC(C)CCO[C@H]1CCN(C(=O)c2ccoc2C2(O)CCOCC2)C1 370150784 SRHDLDJCFQKYLB-HNNXBMFYSA-N 351.443 2.555 0 50 FFAA Cc1n[nH]cc1C1CCN([C@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 375361297 JRTOOKUPNPYAAW-GFCCVEGCSA-N 368.441 2.507 0 50 FFAA O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(-c2nnc(S)o2)cc1 241784844 RXECKTRMRLWFIE-BFHYXJOUSA-N 357.435 2.713 0 50 FFAA O=C(O)c1cnn(C2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)c1 263151025 IYBUWWZPRXRJMG-UHFFFAOYSA-N 353.422 2.937 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)N[C@H](Cn1ccnc1)c1ccccc1 223530701 ZABVRMGORWNDBA-LJQANCHMSA-N 372.428 2.756 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(C(=O)O)ccn2)cc1 426550367 FXAZCHDNXGPEHD-QGZVFWFLSA-N 353.422 2.661 0 50 FFAA CCc1[nH]c2c(CNC(=O)[C@H](C)CN3CCOCC3)cc(C)cc2c1C 82166439 OXQSMSKXBLOUKD-OAHLLOKOSA-N 357.498 2.932 0 50 FFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)N3CCCO3)CC2)CC1 64131593 CSPWDXYPPRUMAU-UHFFFAOYSA-N 371.525 2.835 0 50 FFAA CCN(C(=O)CN1CCC(c2nncn2CC)CC1)c1ccccc1C 178643721 NZYYBJVUTZNXQF-UHFFFAOYSA-N 355.486 2.839 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cccc2c1OCCO2 223422217 NKFMYRYKGZGXEH-SJORKVTESA-N 373.380 2.563 0 50 FFAA Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)O)C3)CC2)n1C(F)F 426504003 NRZBEBILDVSSQV-CYBMUJFWSA-N 369.412 2.593 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1C 95388101 QDOQGDCJSJGTPC-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA CCn1ccnc1[C@H]1CCCN(C(=O)COCC(F)(F)C(F)F)C1 91519129 FZZNCFDESGPOSW-NSHDSACASA-N 351.344 2.526 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(Cc1nccn1CC)CC2 91950609 OXTSHHUMQRCURO-UHFFFAOYSA-N 356.518 2.776 0 50 FFAA Cc1nc(CNC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)n[nH]1 426567083 OGGZOTRHJFTULK-LBPRGKRZSA-N 356.455 2.812 0 50 FFAA CCCOCC(=O)N1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 95375167 QBTWZIPBHFOIQR-RMKNXTFCSA-N 370.493 2.968 0 50 FFAA O=c1cc(CNCC2(N3CCOCC3)CCCCC2)[nH]c2ccc(F)cc12 95352679 VQPVWYNPCVZBEW-UHFFFAOYSA-N 373.472 2.792 0 50 FFAA C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239402653 QWRNWBJUEJNSTO-HSXSFOCCSA-N 370.836 2.720 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)no1 97743061 KGLCIWZGSLXTJN-SFHVURJKSA-N 351.410 2.779 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCC(c2nccn2CC2CCC2)CC1 91656973 CZHKOGCDMYMBNE-UHFFFAOYSA-N 353.470 2.915 0 50 FFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 91350804 NCFJKGWKIYLQIS-LJQANCHMSA-N 360.385 2.774 0 50 FFAA CCn1nc(CNC(=O)[C@@H]2COc3cc(OC)ccc3C2)c2ccccc21 95528878 DBDURUVXKITSIQ-HNNXBMFYSA-N 365.433 2.932 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccc3nsnc3c1)C2 97551433 OQPVDWOTYCTPDI-ZDUSSCGKSA-N 355.419 2.567 0 50 FFAA Cc1nn(C)c(C)c1CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 181451715 PKZGYLZKANIFGL-UHFFFAOYSA-N 369.391 2.658 0 50 FFAA CCN1CCC(CC(=O)N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)CC1 95372795 YPKAWZWUYJELLY-LEWJYISDSA-N 357.542 2.788 0 50 FFAA Cc1oc(CNC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(=O)O 299747419 CYGLMFUZZPSQMN-CYBMUJFWSA-N 359.378 2.774 0 50 FFAA O=C(NCCCSCc1ccco1)N1CCN(c2ccccn2)CC1 534645995 IGJPCTWHCUJRAS-UHFFFAOYSA-N 360.483 2.830 0 50 FFAA COC(=O)COc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1 299768762 MGMPULHLXLMLCM-UHFFFAOYSA-N 374.441 2.923 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCc2snnc2C(C)C)n1 299757855 KOAVYBDSYCCRIA-LLVKDONJSA-N 351.501 2.865 0 50 FFAA CN1CCN(C)[C@@H](CNC(=O)N2CCC(CCCc3ccccc3)CC2)C1 584899447 GKCPKMJICXDXIJ-NRFANRHFSA-N 372.557 2.677 0 50 FFAA O=C(NCCCN1CCCC[C@@H]1CO)c1cccc(OC(F)(F)F)c1 584903548 LYLQLSYWJPAQOW-CQSZACIVSA-N 360.376 2.552 0 50 FFAA O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1cc(O)nc(C2CC2)n1 869895544 IERUYAQSGKUGPP-CYBMUJFWSA-N 353.300 2.908 0 50 FFAA CN1CCCc2ccc(NCc3ccc(N4CCOCC4)nc3)cc2C1 1875319175 RKHFYYHUYSZYBR-UHFFFAOYSA-N 352.482 2.908 0 50 FFAA CN(CCC1CCOCC1)C(=O)c1nnn(Cc2ccccc2)c1Cl 1875306415 FCQKYHXNZZLZIN-UHFFFAOYSA-N 362.861 2.869 0 50 FFAA O=C(N[C@H](CCc1ccccc1)C(F)(F)F)NC12CC(C(=O)O)(C1)C2 1875358478 XNIAIAPJINICNO-UWTIGNOOSA-N 356.344 2.857 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CCC1 1875406899 ORIWMYCNZQCEIE-WQVCFCJDSA-N 358.486 2.522 0 50 FFAA Cc1cccc(C)c1OCCNC(=O)c1nn(C)c2c1C[C@@H](C)O[C@H]2C 1875401998 YBWJBLMNINLIAT-CABCVRRESA-N 357.454 2.868 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2c(C)cc(C)nc2O)C3)o1 952851029 CGPBGFPNAZKNSC-DJJJIMSYSA-N 356.426 2.543 0 50 FFAA C[C@H](NC(=O)c1cc2c(cnn2C)nc1O)c1ccc(C(F)(F)F)nc1 1875274453 ZIXMIKCLKQSUNU-QMMMGPOBSA-N 365.315 2.579 0 50 FFAA CCN[C@H]1CCCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)C1 1875287404 ISZHMGUMMRBMLP-KRWDZBQOSA-N 367.449 2.583 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 1875367087 BHLKMJQVTRKHFH-QUCCMNQESA-N 356.466 2.526 0 50 FFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccccc1-n1cnnc1 952970332 SOZVBPRYWQARES-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)ccc1F 1565511130 OBSSPKUHPFBLDN-WMZOPIPTSA-N 369.440 2.966 0 50 FFAA COCCOc1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cc1F 170592307 WPVQJGRPYPLKGY-INIZCTEOSA-N 365.449 2.943 0 50 FFAA Cc1ccc(Cc2nnc(NC(=O)c3cnn4ncccc34)s2)cc1 170596613 UOCHMHSMEBRXSL-UHFFFAOYSA-N 350.407 2.732 0 50 FFAA COC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1F)c1c(C)cccc1C 170598307 QYXVSTVOBYOSJV-OAHLLOKOSA-N 369.389 2.774 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@@H](N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 170619276 HEZIVPCNDPCGCH-VGENLLEASA-N 372.852 2.734 0 50 FFAA COC(=O)c1ccc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)nc1OC 281605597 YRUOVHLHLGHYJS-MRXNPFEDSA-N 370.453 2.831 0 50 FFAA C[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2nc3c(s2)COCC3)C1 172256183 PKHHTMNYEIDBSP-GFCCVEGCSA-N 352.504 2.848 0 50 FFAA OC[C@H]1CCCN(c2cc(N3CC=C(c4ccccc4)CC3)ncn2)C1 110112915 MEIYLJWGYYQMNX-KRWDZBQOSA-N 350.466 2.979 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1nccn1CC(F)(F)F 190424975 QVNIMBKBKGQMOY-JSGCOSHPSA-N 357.380 2.672 0 50 FFAA Cn1ccnc1[C@H](NC1CCN(C(=O)C2CCC2)CC1)c1ccccc1 1506406951 SGEJDMAFONEIPB-LJQANCHMSA-N 352.482 2.890 0 50 FFAA CN(CCn1ccc2ccccc21)c1nccc(N2CCC[C@@H](O)C2)n1 1529161258 FNXIRXUFLBAZQT-QGZVFWFLSA-N 351.454 2.529 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3nccnc3C)CC1)OCC2 1704326083 WFOGTYBOKVMKJH-UHFFFAOYSA-N 355.438 2.871 0 50 FFAA O=C(C1CCCCCC1)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704337820 GQDBYIJNWBCCDY-WIYYLYMNSA-N 359.466 2.864 0 50 FFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCO)Cc2cncn2C)c1 1704331067 JTYLCJKFIMMXFK-MRXNPFEDSA-N 359.470 2.640 0 50 FFAA Nc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCC3=CCCCC3)C2)n1 215528549 XFLNCOXQCGXAEX-SJORKVTESA-N 355.486 2.767 0 50 FFAA Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 11843182 FYRBOWHCHIPUOT-NRFANRHFSA-N 356.441 2.777 0 50 FFAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1 12138105 OCHPFZLDSHENKP-QGZVFWFLSA-N 374.462 2.705 0 50 FFAA O=C(COc1ccccc1)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 12138432 TWVFUOMZWDXCNT-GOSISDBHSA-N 354.406 2.613 0 50 FFAA O=C1CC[C@H](C(=O)N2CCSCC2)CN1Cc1ccc(Cl)cc1 12429659 FSANVGMOVLSLMM-AWEZNQCLSA-N 352.887 2.654 0 50 FFAA O=C1O[C@@H]2CN(Cc3cccnc3)C[C@@H]2N1CCCc1ccc(F)cc1 12435698 NUUSULZFFUONNC-RBUKOAKNSA-N 355.413 2.859 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)NCCn1cccn1 12594458 RGXURLARBQOZOL-SFHVURJKSA-N 363.417 2.950 0 50 FFAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl 13575052 BQBSUBNFFSVLLC-YFHOEESVSA-N 356.879 2.848 0 50 FFAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 14632650 CJGSLUBWMLBOFZ-YJYMSZOUSA-N 367.401 2.845 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC(Cn4cc([C@@H](C)O)nn4)CC3)c2o1 19795098 SYAPGDHGNIIOHB-CQSZACIVSA-N 368.437 2.938 0 50 FFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cc(CO)nn2)C1 19867007 UTZSZVSJLCSSOW-LLVKDONJSA-N 369.252 2.630 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1csc(-c3ccccc3)n1)C2 1857679901 ZWFUNZYFXRFQRF-IBGZPJMESA-N 371.462 2.796 0 50 FFAA Cn1ccnc1CNC(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857697254 MFYQRIHVZQVZLJ-LBPRGKRZSA-N 373.844 2.748 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)CC(C)(C)c4ccccc4)[C@@H]2CC(=O)N13 1857728080 MNJAHTIYBAYLRD-SVMVAKDDSA-N 370.493 2.939 0 50 FFAA CCOC(C)(C)C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857740923 SYSQQYQRXZGCOF-YESZJQIVSA-N 366.889 2.786 0 50 FFAA CC(C)C[C@@H]1CN(C(=O)c2cn3c4c(cccc4c2=O)CC3)CC[C@]1(C)O 211554375 HTRIKDVYFXOLDT-ZHRRBRCNSA-N 368.477 2.817 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc(N(C)C)c1 216966427 XBEJLBKKWMLFGM-APWZRJJASA-N 367.497 2.521 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 237970161 IWAXYEZJPDFKDD-HNNXBMFYSA-N 358.438 2.921 0 50 FFAA c1cc2c(cc1O[C@@H]1OC[C@H]3[C@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2 253597112 ZZMNWJVJUKMZJY-ILWKUFEGSA-N 370.357 2.883 0 50 FFAA endogenous,in-man C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1CO 151107010 WRRBRTDCHAQNHP-ZOWXZIJZSA-N 356.260 2.884 0 50 FFAA c1ccc(-c2n[nH]c(CCNc3nccc(N[C@@H]4CCCOC4)n3)n2)cc1 811830199 FCGZBERPZAHKJI-OAHLLOKOSA-N 365.441 2.507 0 50 FFAA O=C(c1ccccc1N1CCOCC1)N1CC2(COc3ccccc3C2)C1 2100539801 ZBONFTYMZPTISM-UHFFFAOYSA-N 364.445 2.601 0 50 FFAA COc1ccc2c(c1)C(=O)N(Cc1ccccc1OC1CC1)S2(=O)=O 2325758816 ZWCZRVHCCBEIMS-UHFFFAOYSA-N 359.403 2.581 0 50 FFAA CCC(CC)n1ncc(C(=O)N2CC[C@@H](C3CC(NC(C)=O)C3)C2)c1C 2325849364 NCQPCDWIVBKOPT-KLAILNCOSA-N 360.502 2.929 0 50 FFAA O=C(CSc1nnc2scc(-c3ccccc3)n12)NC[C@H]1CCCO1 937470 HKLDILFLBKPVKK-CYBMUJFWSA-N 374.491 2.845 0 50 FFAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1nnc(-c2ccccc2)o1 2356136913 BAWRNGWZQDNEJJ-FQEVSTJZSA-N 352.438 2.856 0 50 FFAA COc1ccc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1C(=O)O 2356162932 UMVBCKQJCIFNID-NRFANRHFSA-N 367.449 2.972 0 50 FFAA CC(=O)Nc1ccc(CN2CCN(c3nccc(NC(C)C)n3)CC2)cc1 67821313 RQFKKTGMFMIBMM-UHFFFAOYSA-N 368.485 2.578 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[nH]cn3)C2)ccc1-n1cccc1 23505542 JOSOIDDVQOARRY-KRWDZBQOSA-N 362.433 2.889 0 50 FFAA CCOC(=O)CCNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 20351926 COFCLIOMCISYJP-UHFFFAOYSA-N 361.398 2.885 0 50 FFAA Cc1cccn2c(CN3CCCCC34CC4)c(C(=O)N3CCOCC3)nc12 71736451 QCJKTEGTJKVTTI-UHFFFAOYSA-N 368.481 2.634 0 50 FFAA CC[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C)c(C)c1 65362532 FVTDSRIQMWHXFZ-IAGOWNOFSA-N 352.500 2.542 0 50 FFAA CN(C)C1CCN(CCN[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 230099188 DJEQSVFKUJLLSX-YMPZKCBVSA-N 370.585 2.513 0 50 FFAA CN(c1ncccc1CNC(=O)c1cn2cccnc2n1)C1CCCCC1 67788213 UKZQPBYLYUWRNY-UHFFFAOYSA-N 364.453 2.823 0 50 FFAA Cc1ncc2c(c1CNc1nccc(CCC(F)(F)F)n1)CCNC2 71479562 NQWPUMHAOFDORN-UHFFFAOYSA-N 351.376 2.933 0 50 FFAA COc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)ccc1F 128638736 XUIIXELBOLOCPM-UHFFFAOYSA-N 356.397 2.887 0 50 FFAA Cn1ccnc1-c1ccc(N2CCCN(C3Cc4ccccc4C3)CC2)nn1 67489726 PJEZXALLBDSEAN-UHFFFAOYSA-N 374.492 2.557 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)CCc3c(C)n[nH]c3C)cn2)c1 72421619 YOFYRUDBOVHDCO-UHFFFAOYSA-N 367.453 2.812 0 50 FFAA COc1ccc2oc(CNC[C@H]3CCc4c(C(=N)O)cnn4C3)cc2c1 328630554 JNBPXWFXHSOWHX-GFCCVEGCSA-N 354.410 2.873 0 50 FFAA CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 363151457 GPMLELSMHNPHBQ-QZTJIDSGSA-N 356.426 2.743 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc(N(C)C)cc3)[C@H](C)C2=O)c1 218984261 KZUVJMSWVALRAQ-QGZVFWFLSA-N 365.477 2.934 0 50 FFAA Cc1ccc(C2(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CCOCC2)cc1 262092784 IDANMJSHXFUYIL-IBGZPJMESA-N 367.445 2.855 0 50 FFAA COc1ccccc1OC1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 72426751 PRLNKGACYQVDKT-LJQANCHMSA-N 359.397 2.938 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N[C@@H](CC(F)(F)F)C(=O)O)cc12 263034056 RCVLGBKJIOCCTF-QMMMGPOBSA-N 363.361 2.894 0 50 FFAA Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](CCC(=O)O)C3)C2=O)cc1C 237639120 XUDIVKFQVCOTQN-FUHWJXTLSA-N 372.465 2.760 0 50 FFAA Cc1cccc(NC[C@@H]2CCN(Cc3cnc4c(c3)c(C)nn4C)C2)n1 237864930 DDSCGJLSSAIVFK-INIZCTEOSA-N 350.470 2.914 0 50 FFAA COCCn1cc(C(=O)N2CCC[C@@H]2c2nccn2C)c2ccccc21 378547605 HFNJJJVLRXRJCB-GOSISDBHSA-N 352.438 2.999 0 50 FFAA Cc1cc(C)nc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)n1 77554798 HWXZCCDCZLTFNB-UHFFFAOYSA-N 369.517 2.592 0 50 FFAA Cn1cnc(-c2ccc(OCC(=O)NCCc3ccc(Cl)cc3)cc2)n1 241965601 UUEUBAJHGVYZEY-UHFFFAOYSA-N 370.840 2.873 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc(OC(F)F)c1 223901366 WAVFCANNGGWWRA-UHFFFAOYSA-N 367.396 2.698 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1nc2ccccc2[nH]1 220353256 DTJWWERVABCXBX-QZTJIDSGSA-N 357.454 2.752 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3ccc(Cl)s3)C2)CN1CCCO 82147526 LEPAWANNHNFBAM-KRWDZBQOSA-N 356.919 2.989 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(-c2cccnc2)no1 220706452 KGVOBOMUAREQMB-HXUWFJFHSA-N 362.433 2.800 0 50 FFAA CC(C)Oc1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nn1 426387237 IVWWWQNKBVGPLD-UHFFFAOYSA-N 354.454 2.756 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ccc(-n2cccn2)cc1 223791781 ONDOZFADFOFRSO-MOPGFXCFSA-N 355.438 2.742 0 50 FFAA COc1coc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)cc1=O 82127796 LMCWIQRHKDVAGW-OAHLLOKOSA-N 374.412 2.572 0 50 FFAA C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(C(C)(C)C)cc1 45419182 LHUZZGYZEQZOAT-ZBFHGGJFSA-N 366.527 2.833 0 50 FFAA COCCN1C[C@]2(CCCN(C(=O)OCc3ccccc3)C2)CCC1=O 82092612 JDQRXNHJLHXWPP-FQEVSTJZSA-N 360.454 2.674 0 50 FFAA Cc1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)c2ccc(F)cc2n1 82109197 KGHHDZWVCBDMRI-MRXNPFEDSA-N 370.384 2.889 0 50 FFAA Cc1cc(CN2CCN(C(=O)c3cnn(CC(C)C)c3C3CC3)CC2)no1 180072646 HQODXXABNRGUMD-UHFFFAOYSA-N 371.485 2.671 0 50 FFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1c(Cl)nc3scc(C)n13)CC2 426431079 LGEXSKXJJBYUHQ-PVXIVEMSSA-N 355.891 2.862 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc3occc3c2)CC1)N1CCN(C)CC1 91678485 VBILJDHVVGPSBU-INIZCTEOSA-N 355.482 2.921 0 50 FFAA Cc1ccc(CN2CCC[C@H](c3nnc(Cn4ccnc4C)n3C)C2)o1 95361521 XMBWWFBFMMKSEL-INIZCTEOSA-N 354.458 2.649 0 50 FFAA Cn1ccnc1CN1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 95501378 PGQHTTFSFHEKPR-INIZCTEOSA-N 364.453 2.661 0 50 FFAA Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC3(CC2)CNC(=O)O3)n1 95527280 RVIXZFOIHWNMIM-UHFFFAOYSA-N 369.425 2.595 0 50 FFAA c1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2-n2cccn2)C3)nc1 91876803 WCHJZJXXUHSCKF-IEBWSBKVSA-N 360.465 2.763 0 50 FFAA Cc1cc(C)nc(CN(C)C(=O)CN2C[C@H](Cc3ccccc3)CC2=O)c1 95526671 SNEKXFCSOSBVNL-LJQANCHMSA-N 365.477 2.748 0 50 FFAA CC(C)c1ccc(N2C[C@@H](C(=O)NCCc3ccncc3)CC2=O)cc1 91326619 UYKFZUCAPJODFO-SFHVURJKSA-N 351.450 2.917 0 50 FFAA COC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)CC(=O)N(CC(C)C)C2 95387382 RDPATUKJXAYCSH-LJQANCHMSA-N 358.482 2.871 0 50 FFAA Cc1nccc(-c2cccc(NC(=O)N3CCC4(CC3)C[C@H](O)CO4)c2)n1 95522671 RQGCWUCSYHHPNL-KRWDZBQOSA-N 368.437 2.600 0 50 FFAA COc1ccc([C@H](NC(=O)c2csc(C(C)C)n2)[C@H]2C[C@H](O)C2)cn1 244700984 JXSBYKAUZZVNJN-XEZPLFJOSA-N 361.467 2.912 0 50 FFAA Cc1cncc(C(=O)N2CC(C)(C)N(C(=O)c3cncc(C)c3)C[C@H]2C)c1 297612927 AUYOAZMULVIYDA-MRXNPFEDSA-N 366.465 2.859 0 50 FFAA Cc1ccc(NC(=O)CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 241081898 YSCAGXACQFGELQ-ZWKOTPCHSA-N 368.433 2.513 0 50 FFAA CCc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n[nH]1 185177774 RHGOVBMSKHHAES-UHFFFAOYSA-N 368.268 2.632 0 50 FFAA Cc1ccc2cccc(C(=O)N3C[C@@H](C(=O)O)[C@H](C(F)(F)F)C3)c2n1 299743089 JWTUQTPYSJJCGJ-CHWSQXEVSA-N 352.312 2.878 0 50 FFAA Cc1cccc(C(=O)OC(C)(C)C)c1NS(=O)(=O)c1cnn(C)c1C 864096599 KTGVVPCWNMIRSL-UHFFFAOYSA-N 365.455 2.793 0 50 FFAA COC[C@@](C)(O)C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 864096908 STLLZMKPDVQWFH-LJQANCHMSA-N 357.385 2.629 0 50 FFAA CN(C)Cc1ccc(CSCCNC(=O)N2CC(c3ccncc3)C2)o1 534660350 FSLXVJQRHXDSDJ-UHFFFAOYSA-N 374.510 2.778 0 50 FFAA CC(C)Cn1cncc1CNC(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 534647340 UXQGYTTWORZFQN-MRXNPFEDSA-N 369.469 2.739 0 50 FFAA Cc1ccc2nc(C(=O)N3CCC[C@@]4(CCCN(C)C4=O)[C@H]3C)c(F)n2c1 1940196255 VMHZBANHWDOGSX-VLIAUNLRSA-N 372.444 2.645 0 50 FFAA Cn1c(C(=O)N2CCN(C3CCSCC3)CC2)cc2cc(F)ccc21 299769553 NZSAFDPYQFRDLE-UHFFFAOYSA-N 361.486 2.971 0 50 FFAA O=C(CCC1=NNC(=O)CC1)NC[C@H](c1ccccc1)N1CCCCCC1 827816315 ZSYBJIZXESZIOC-LJQANCHMSA-N 370.497 2.766 0 50 FFAA O=C(CCn1c(Cc2ccc(F)cc2)noc1=O)Nc1ccccc1F 1875319062 YDVJUNIHUJCOKZ-UHFFFAOYSA-N 359.332 2.734 0 50 FFAA Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)N1C[C@H](O)CO1 1875353652 BDJDVFPDJDLFCA-NSHDSACASA-N 358.341 2.886 0 50 FFAA Cc1nc(Cl)nc(N2C[C@@H](C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@@H]2C)c1F 1875407668 FQSBWWYWJYFJTK-ZPFDUUQYSA-N 354.857 2.907 0 50 FFAA Cn1cc(-c2ccccc2)c(NC(=O)N2CCC[C@H](n3ccnn3)C2)n1 886088676 IVQPEHLPGNOEEC-HNNXBMFYSA-N 351.414 2.548 0 50 FFAA CC(=O)N1C[C@@H](NCc2ccc3c(c2)ncn3C)CC[C@H]1C(F)(F)F 886051567 FZRBCGHFRDYSJN-BBRMVZONSA-N 354.376 2.605 0 50 FFAA CC(C)[C@H]1CN(C(=O)NCc2ccc(Cl)cc2)C[C@@H]1NC(=O)N(C)C 1565506873 XCHWZEDTBVQGEI-CVEARBPZSA-N 366.893 2.777 0 50 FFAA C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)c2C1 1466087377 RRCBEKWBGSBGKK-BLLLJJGKSA-N 370.428 2.599 0 50 FFAA O=C(O)Cc1ccc(S(=O)(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cc1 274291145 KHNIJHRYRMZQEZ-CYBMUJFWSA-N 371.414 2.583 0 50 FFAA O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1cccc(Cl)c1Cl 275383275 YWFBYRWGVSUHIV-JTQLQIEISA-N 360.266 2.731 0 50 FFAA Oc1nc(NC[C@H](O)c2ccc(F)cc2)nc2c1cnn2-c1ccccc1 301254238 AWFSUERSEFGJEM-INIZCTEOSA-N 365.368 2.806 0 50 FFAA O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@H]1CCCC[C@@H]1CO 170055510 VAHHJHKMHPSRDU-KGLIPLIRSA-N 370.478 2.827 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccn[nH]2)CN1c1ccc(Cl)cc1 278644821 ODOROOOTANHARL-MLGOLLRUSA-N 358.829 2.780 0 50 FFAA O=C(C[C@@]1(O)C(=O)Nc2cc(Br)ccc21)c1cccs1 170620019 AFYSQHDEMRSXCR-AWEZNQCLSA-N 352.209 2.923 0 50 FFAA OCCCN(Cc1ccccn1)c1nc(-c2ccncc2)nc2c1CCC2 225463324 WEFHAKWBFRGTNP-UHFFFAOYSA-N 361.449 2.811 0 50 FFAA COc1ccccc1[C@H](C)NC(=O)CN1CCCN(C2CCCC2)CC1 172583035 HUQGKPZZOLLDBZ-KRWDZBQOSA-N 359.514 2.823 0 50 FFAA CCOc1ccc(S(=O)(=O)NCC2(C)CCNCC2)c2ccccc12 193374944 OTHIHRUVPIXXLB-UHFFFAOYSA-N 362.495 2.907 0 50 FFAA Cc1ncnc(N2CCN(Cc3cc(O)c4cccc(F)c4n3)CC2)c1C 1506411357 QSULPHPAHJAGFB-UHFFFAOYSA-N 367.428 2.809 0 50 FFAA C[C@@H](NC(=O)c1nc(N)nc2c1CCCC2)c1ccc2c(c1)OCCCO2 1506415428 BQTOKGQDRMICKE-GFCCVEGCSA-N 368.437 2.590 0 50 FFAA Cc1cc(F)ccc1NC(=O)CCNC1CCN(C(=O)C2CCC2)CC1 1506399217 BXXZCIBOGNDSMQ-UHFFFAOYSA-N 361.461 2.843 0 50 FFAA Cc1ccc2c(c1)cc(C(=O)N(CCN(C)C)Cc1[nH]cnc1C)n2C 1704334330 HUHRINLWVCHPRR-UHFFFAOYSA-N 353.470 2.722 0 50 FFAA O=C(NCCN1CCCCC1)c1cc(COc2c(F)cccc2F)on1 12031271 JYDDXRJLJUZSIT-UHFFFAOYSA-N 365.380 2.748 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 13324209 UCPIZNSYIVNTFI-CQSZACIVSA-N 371.359 2.561 0 50 FFAA CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 14399810 LFBVYRIYSITYHN-AWEZNQCLSA-N 368.499 2.644 0 50 FFAA O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1cc(F)ccc1F 169752417 AVIRNTCKLXUJKN-UHFFFAOYSA-N 367.355 2.982 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1F 169764132 LZXODGVOWOIHIB-UHFFFAOYSA-N 368.412 2.801 0 50 FFAA CS(=O)(=O)Oc1ccccc1/C=C1/N=C(c2ccc(F)cc2)OC1=O 2822944 BEGMAJQQZDAWNZ-GXDHUFHOSA-N 361.350 2.509 0 50 FFAA aggregator O=C(c1cccc(O)n1)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857729062 SWNWKEGYLWHRIO-FUHWJXTLSA-N 368.433 2.675 0 50 FFAA CCCC[C@@H]1CN(C(=O)COc2ccccc2C(N)=O)C[C@H](C(C)C)O1 1875244481 LZKMBSIEAYBSSK-CRAIPNDOSA-N 362.470 2.607 0 50 FFAA CN(C)CCOc1cc(CNC(=O)C[C@H]2CCOc3ccccc32)ccn1 124020624 CPXXYUBOOWBGGY-QGZVFWFLSA-N 369.465 2.595 0 50 FFAA C[C@@H]1OCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 331740544 XBYYNZUKXAONDB-JOYOIKCWSA-N 366.215 2.540 0 50 FFAA CCc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)cn1 253606345 IANGWLYSQGOOHH-HKUYNNGSSA-N 350.466 2.776 0 50 FFAA CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnc(C)cn1 151880536 KXAIQKDPVWOWEX-QGZVFWFLSA-N 354.454 2.617 0 50 FFAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)Cc1nn(C)c2ccccc12 263243496 RXXRDVFJWJWQHE-AWEZNQCLSA-N 351.406 2.618 0 50 FFAA c1cc(CN2CCOCC2)cc(-c2noc([C@H]3CCc4cn[nH]c4C3)n2)c1 266543673 HCAZLFJYSKONER-INIZCTEOSA-N 365.437 2.564 0 50 FFAA COc1cccc(C[C@H](NC(=O)c2ccn(C3CCCCC3)n2)C(=O)O)c1 910209660 PGUMXVSLECMNST-SFHVURJKSA-N 371.437 2.823 0 50 FFAA O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)[C@H]1CSC(c2ccccc2O)=N1 928069920 HOFJUCNSFBHUTE-JJRVBVJISA-N 372.421 2.842 0 50 FFAA Cc1csc(C(C)(C)NCc2noc(CNC(=O)OC(C)(C)C)n2)n1 225721706 JRTPPOUGTIHEAY-UHFFFAOYSA-N 367.475 2.884 0 50 FFAA CCOc1ccc([C@@H](CC(=O)O)NC(=O)COc2ccccc2)cc1OC 3623032 WYZXESRVSVKNAW-MRXNPFEDSA-N 373.405 2.805 0 50 FFAA Cc1c(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)nnn1[C@@H]1CCOC1 2325783091 YAVDVUAYTCZIEB-CRWXNKLISA-N 372.391 2.884 0 50 FFAA CC1(C)C[C@@]1(CO)CNC(=O)C(=O)Nc1ccc(C2CCCCC2)cn1 2325810088 JWWNKDZYTZOSEX-FQEVSTJZSA-N 359.470 2.593 0 50 FFAA O=C(NCCc1c[nH]c2cccc(Br)c12)[C@H]1C2CCN1CC2 2325811310 OFIBACTUIVUWRJ-MRXNPFEDSA-N 362.271 2.683 0 50 FFAA CC(C)[C@H]1NS(=O)(=O)N(Cc2cc(Cl)cc3ccccc23)C1=O 2325816240 KHGDZFUINUKHEN-OAHLLOKOSA-N 352.843 2.694 0 50 FFAA CCNS(=O)(=O)c1ccc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)nc1 2325854883 ZYOMJIMGVIPIRX-ZFWWWQNUSA-N 363.458 2.901 0 50 FFAA CC(=O)Nc1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)sc2c1 787320 PYLLRWCFXLQDFD-LBPRGKRZSA-N 365.480 2.642 0 50 FFAA CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 809574 JHUGPCBKFREDMC-UHFFFAOYSA-N 353.422 2.810 0 50 FFAA O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 1059298 JPFPIKVARSCUCV-INIZCTEOSA-N 354.362 2.755 0 50 FFAA COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 6145324 BLGXFZZNTVWLAY-UROMYXJWSA-N 354.450 2.647 0 50 FFAA in-vitro CCCC(=O)NC(=S)Nc1ccc(I)c(C)n1 6244008 OEYKBLMMSIVEPV-UHFFFAOYSA-N 363.224 2.608 0 50 FFAA Cc1nc(CN2CCCN(C(=O)COCc3ccccc3)CC2)cs1 170948331 XGBPJBVZRGDEOA-UHFFFAOYSA-N 359.495 2.703 0 50 FFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cccc(-c2noc(C)n2)c1 55344657 KFDIWZFOMHWWGP-SFHVURJKSA-N 366.421 2.853 0 50 FFAA COc1ccc2oc(=O)c(-c3csc(NC(=O)/C=C\C(=O)O)n3)cc2c1 106475381 SVAHFDRXKXHDER-PLNGDYQASA-N 372.358 2.504 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3snnc3C)cc2)n1 65470299 AJSWIEYWCUMFDD-UHFFFAOYSA-N 355.467 2.980 0 50 FFAA O=C1CCCCN1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67868667 WTKAPIFDMCWSRV-INIZCTEOSA-N 350.846 2.643 0 50 FFAA O=C(COC[C@@H]1CCCO1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67742184 PJELLMLUBZGSAJ-SFHVURJKSA-N 369.465 2.978 0 50 FFAA CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607487 ZANTXTLBGIZTLM-CYBMUJFWSA-N 372.918 2.797 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 120249430 PDODUBYDXALNHE-CQSZACIVSA-N 356.426 2.562 0 50 FFAA CCc1c(C(=O)N2CCC[C@@H](c3nn(C)c(=O)n3CC)C2)csc1C 67650659 ZKIBQOJMXJJTTC-CYBMUJFWSA-N 362.499 2.554 0 50 FFAA CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2F)cn1 252494819 OFPMPTAUGPLJKC-UHFFFAOYSA-N 353.419 2.876 0 50 FFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CCn1cncn1 12320765 YABWEJMCQMVLCU-UHFFFAOYSA-N 351.410 2.789 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)n1 65362477 CQKFKDIYIQFAGH-UHFFFAOYSA-N 358.421 2.710 0 50 FFAA O=S(=O)(Cc1cc(-c2ccccc2)on1)c1nnc2n1CCCCC2 125335127 QHCODWRVBZZIIM-UHFFFAOYSA-N 358.423 2.633 0 50 FFAA Cc1cnc(CC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)s1 444407730 FMDXONRQKAXYRM-UHFFFAOYSA-N 373.507 2.656 0 50 FFAA NC(=O)c1ccnc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)c1 67954982 NCXUTGUOSOKWQW-NRFANRHFSA-N 353.466 2.782 0 50 FFAA COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(OC)c1C 72157658 GBISTYBIZKGVDQ-OAHLLOKOSA-N 357.454 2.784 0 50 FFAA O=C(Nc1ccc(Br)c2cccnc12)c1nc2ncccn2n1 6829267 ZSHOYXCICOMPFB-UHFFFAOYSA-N 369.182 2.687 0 50 FFAA O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 72446914 BEZSBWUGBVIHLH-UHFFFAOYSA-N 365.433 2.902 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)cc1OC 33270294 MNGMKKHXMAHDQT-AWEZNQCLSA-N 366.439 2.834 0 50 FFAA COCCCN(C)Cc1cc2cc(C)ccc2nc1N1CCC[C@@H](O)C1 72422525 OTHKXKJOVFGTLR-LJQANCHMSA-N 357.498 2.973 0 50 FFAA COCc1noc(CCNC(=O)c2cc(C)nc3c(C)cc(C)cc23)n1 77555679 XCCGEHWZUXNBAY-UHFFFAOYSA-N 354.410 2.662 0 50 FFAA CN(C)CCN(Cc1nn(C)c2cccc(Cl)c12)C[C@H]1CCCO1 215611096 MALZCVSSFWTJBL-CQSZACIVSA-N 350.894 2.769 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1C(F)(F)F 237335165 YTXHGXRYPXMVLD-RYUDHWBXSA-N 359.344 2.901 0 50 FFAA CC(C)Cc1nc(CN2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)no1 77457586 ZWINKSFKBCVXCI-HXUWFJFHSA-N 360.502 2.883 0 50 FFAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cnn2cccnc12 72168823 ANODEYBXIIFQSF-INIZCTEOSA-N 369.856 2.777 0 50 FFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCCC[C@@H]1CCn1cccn1 215560158 SMRHFZCJRSYFOC-MRXNPFEDSA-N 350.422 2.810 0 50 FFAA Cc1nc(CCC(=O)N(CC(=O)O)C2CCOCC2)oc1-c1ccccc1 237622924 XUGMKGUIRHAEJO-UHFFFAOYSA-N 372.421 2.675 0 50 FFAA O=C(O)[C@H]1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CCO1 237966268 NLJJQJZENVJRRS-SEVUFMINSA-N 363.719 2.598 0 50 FFAA c1ccc(-c2ccc(CN3CCN(CCn4cncn4)CC3)s2)cc1 77284802 HGZHCVIMXNIUNX-UHFFFAOYSA-N 353.495 2.824 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1cccn1C1CC1 216052686 ADPJXYZEYRXVPU-MRXNPFEDSA-N 353.422 2.964 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 239667904 BRWYXSSJCKUAOV-JFIYKMOQSA-N 364.511 2.653 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCC(O)(CO)CC3)c(C)o2)cc1C 71750699 VGDWKBLIPKLJNK-UHFFFAOYSA-N 360.454 2.595 0 50 FFAA O=C(c1cccc(F)c1F)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 219811384 ATGDTOVJYMTEOH-LJQANCHMSA-N 369.371 2.899 0 50 FFAA CN(CC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1)Cc1ccccn1 77438086 IXRDMEMRPBLBLK-GOSISDBHSA-N 351.450 2.635 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)Cc3c(C)noc3C)C2)CCC1=O 77407534 FCYQYCLHIAFEEU-HXUWFJFHSA-N 361.486 2.865 0 50 FFAA Cn1nc(C(=O)N2CCC(OCc3cccnc3)CC2)c2ccccc21 220093130 SNTVUPKIMJSKSA-UHFFFAOYSA-N 350.422 2.790 0 50 FFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1cnn(Cc2ccccc2)c1 82138289 VQVKOFVUOVQJDU-UHFFFAOYSA-N 374.404 2.649 0 50 FFAA Cc1nc([C@@H](C)NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c(C)s1 223573075 GDUHXQQYMZGAJF-SNVBAGLBSA-N 352.481 2.583 0 50 FFAA COc1ccc(OC2CCN(C(=O)CSc3ncccn3)CC2)cc1 221388230 KNPMOJABRAAHGN-UHFFFAOYSA-N 359.451 2.647 0 50 FFAA CN(CC1(C)COC1)C(=O)NCC1CCN(CCc2ccccc2)CC1 426500085 LBLHDXNVVQKHJJ-UHFFFAOYSA-N 359.514 2.619 0 50 FFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 178972603 JLWNZEPNCUGFAQ-OLZOCXBDSA-N 355.276 2.593 0 50 FFAA O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CCOc2ccccc2C1 95528343 AJVOUYIKBXQYDL-INIZCTEOSA-N 368.433 2.642 0 50 FFAA CCc1nn(C)c(NC(=O)N2CCC(OCc3cccnc3)CC2)c1C 95527326 AKRUQLAXHNQGBV-UHFFFAOYSA-N 357.458 2.899 0 50 FFAA COCCN1CCC[C@@]2(CCN(c3ncc(Cl)cc3Cl)C2)C1=O 95383737 RPHXZJHPPCCUKV-INIZCTEOSA-N 358.269 2.854 0 50 FFAA CC(C)c1cc(C(=O)N2C[C@H]3COc4ccccc4C[C@@]3(C(=O)O)C2)on1 95359017 ZYGIGWFDCIISOJ-VBKZILBWSA-N 370.405 2.576 0 50 FFAA COCC[C@]1(CO)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 91663408 DWAJWCMGSDVOJS-QGZVFWFLSA-N 359.388 2.886 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@H]1CN1CCCC1 95374976 VMJDDHQWTJNZSS-SFHVURJKSA-N 351.454 2.629 0 50 FFAA CCOc1ccccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 95528148 QTVDKDYDIXYBNL-QGZVFWFLSA-N 370.497 2.863 0 50 FFAA CCOc1ccccc1[C@H](C(=O)O)N1CCCN(Cc2cccnc2)CC1 95382376 GJUMESUUPPBLAU-HXUWFJFHSA-N 369.465 2.814 0 50 FFAA O=C(NCCc1ccncc1)Nc1cc(N2CCOCC2)ccc1Cl 96131958 PUSZKWYUOLBIAV-UHFFFAOYSA-N 360.845 2.936 0 50 FFAA CC[C@@H](C(=O)NCc1cccc(-n2cccn2)c1)N1Cc2ccccc2C1=O 97745030 NODXZQXDXAHUOX-FQEVSTJZSA-N 374.444 2.923 0 50 FFAA CN1CCC(C2CCN(C(=O)c3cc(=O)[nH]c4cc(F)ccc34)CC2)CC1 95372632 CPJYPFXXJYRNJF-UHFFFAOYSA-N 371.456 2.861 0 50 FFAA Cn1cc([C@H](NC(=O)CCc2nc3ccccc3s2)[C@H]2C[C@@H](O)C2)cn1 252540608 PRDHGOCJGXPBEP-SPKLELGKSA-N 370.478 2.591 0 50 FFAA O[C@]1(c2ccccc2)[C@@H]2[C@@H]3[C@H]4[C@@H]5[C@@H]([C@@H]2[C@]35Br)[C@@]41Br 252428332 YKVAHPGCIDIAFH-TWYOGDMUSA-N 368.068 2.907 0 50 FFAA CC(=O)Nc1ccc2nc(CN3C[C@@H]4CCC[C@H](C3)C(=O)N4C)ccc2c1 820592944 DMFMOBSLWITDSD-APWZRJJASA-N 366.465 2.636 0 50 FFAA O=C1CCC[C@H](C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)N1 270258389 NXDCDWQLVCBMTJ-GOSISDBHSA-N 356.397 2.690 0 50 FFAA COC(=O)c1ccc(C(=O)N2CCOC(C)(C)[C@@H]2c2ccccc2)n1C 1875343007 CIJYCKLHFZPIFX-KRWDZBQOSA-N 356.422 2.804 0 50 FFAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1occc1-c1ccccc1 1875402698 KRSDQZUKNQNRTJ-ZTFGCOKTSA-N 351.406 2.713 0 50 FFAA Cc1nc(-c2ccc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cc2)n[nH]1 952868995 CYQZXXJILQMOMG-GFCCVEGCSA-N 374.404 2.690 0 50 FFAA O=C(COc1cccnc1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278480691 UZKHHWQYSBDFLK-NSHDSACASA-N 354.332 2.609 0 50 FFAA C[C@]1(C(=O)Nc2ccc(OC3COC3)cc2)Cc2ccccc2C(=O)O1 170602619 WXBVELHPUOQXCK-HXUWFJFHSA-N 353.374 2.575 0 50 FFAA CC(C)(C)c1nnc(NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)s1 195141467 HCDQNRKZGLGMSN-CYBMUJFWSA-N 373.482 2.931 0 50 FFAA Cc1ccsc1[C@@H](CNC1CCN(C(=O)c2cccnc2)CC1)N(C)C 1506408754 PPFJIVHMXAARDY-GOSISDBHSA-N 372.538 2.949 0 50 FFAA O=C(c1cccc2c1NCCC2)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1506399717 PQRYAKOSVANSCR-HXUWFJFHSA-N 359.433 2.951 0 50 FFAA COc1cc2nc(N[C@H](C)c3nncn3C(C)C)nc(N)c2cc1OC 1529178593 OPZRPUFZZFENKS-SNVBAGLBSA-N 357.418 2.575 0 50 FFAA COc1cccc(SCC(=O)N2C[C@H](c3ccncc3)[C@@H](C(=O)O)C2)c1 221946067 HPTQAYZHHYYHGM-SJORKVTESA-N 372.446 2.509 0 50 FFAA Cc1nc(CCNc2nnc(Cc3ccncc3)o2)nc2c1CCCC2 1772709134 MJZZIZZKBSJNQU-UHFFFAOYSA-N 350.426 2.687 0 50 FFAA O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772807580 ZEXCPIQUCKBBHI-KKUMJFAQSA-N 357.479 2.730 0 50 FFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccco1 5558955 HSICVZRDGBJSEL-UHFFFAOYSA-N 364.423 2.715 0 50 FFAA Cc1ccccc1CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11933394 QIUOTQNCWDMRMM-NRFANRHFSA-N 356.441 2.777 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)cs1 12073633 JYZBPJJOQCIIMJ-CQSZACIVSA-N 374.462 2.755 0 50 FFAA C[C@@H](CCCC(C)(C)O)NCc1c(C(=O)N2CCCC2)nc2ccccn12 12433664 BMWTYGUOEMYXRZ-INIZCTEOSA-N 372.513 2.990 0 50 FFAA CN(Cc1cccnc1)Cc1ccccc1OC[C@H](O)CN1CCCCC1 12448709 CCJYFNZGBLLTAD-OAQYLSRUSA-N 369.509 2.939 0 50 FFAA CC[C@@H](C(=O)NC1CCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O 13712962 DSNDSRLTZKVAEJ-KRWDZBQOSA-N 352.500 2.989 0 50 FFAA COc1ccc(-n2c(CNC(=O)Cc3cccs3)nnc2SC)cc1 14886806 VCDMHPRWGIVVEF-UHFFFAOYSA-N 374.491 2.918 0 50 FFAA O=C(c1coc(COc2cccc3cccnc23)n1)N1CCSCC1 14958477 HBSFXVHYBLCPHX-UHFFFAOYSA-N 355.419 2.991 0 50 FFAA COCCCNc1nc2nonc2nc1N1CCCC[C@H]1c1cccnc1 15076782 YVACKMMRBQLXST-AWEZNQCLSA-N 369.429 2.588 0 50 FFAA Cn1nccc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 163856270 ZEMCCTTYYJZDCW-UHFFFAOYSA-N 366.387 2.720 0 50 FFAA O=C(O)[C@@H]1CN(Cc2cc[nH]n2)CC12CCN(CC1CCCCC1)CC2 1857703156 WLVMQQSGBFOHKR-SFHVURJKSA-N 360.502 2.589 0 50 FFAA Cc1ccccc1C(=O)N1C[C@@H]2[C@H](CNC(=O)CC(C)C)[C@H]3CC[C@]2(C1)O3 1857713365 WVYSCSHNXFONSX-JZJXAQOMSA-N 370.493 2.777 0 50 FFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(NCC2CC2)nc1 329909355 UYWHTEBNMBUKBU-KRWDZBQOSA-N 353.470 3.231 0 50 FFAA C[C@H](N)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 237478060 GBWDKMGWVWEUID-CMPLNLGQSA-N 351.299 2.882 0 50 FFAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cccc(OC(F)(F)F)c1)C2 247822262 DLEUTJYHEZNLFA-CABCVRRESA-N 372.387 2.654 0 50 FFAA Cc1nnc([C@H]2CN(C(=O)c3scc(C)c3Br)CCO2)o1 375973322 GXAANTFVSYLBTC-SECBINFHSA-N 372.244 2.724 0 50 FFAA O=C(Nc1cn(Cc2ccccc2)nn1)N1CC[C@@H](n2cc(Cl)cn2)C1 377745215 MVWWJUIJMBCWHK-OAHLLOKOSA-N 371.832 2.655 0 50 FFAA O=C(c1cnc2c(F)cccc2c1)N1CCC(n2ncc3c2CNC3)CC1 2325795110 GCLNLMJKVCCWGB-UHFFFAOYSA-N 365.412 2.651 0 50 FFAA COCc1cccc(CC(=O)NC[C@@]23CCC[C@H]2N(C(C)=O)CCC3)c1 2325848621 LMBKGCKBYCLKIL-CTNGQTDRSA-N 358.482 2.673 0 50 FFAA Cc1nc2cc(Cl)cc(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)c2[nH]1 2325869891 AEHXRGGEQDJQSG-UHFFFAOYSA-N 353.773 2.957 0 50 FFAA Cn1ccnc1N1CCC(NC(=O)Cc2coc3c(F)c(F)ccc23)CC1 907689638 QUMMXROHAPAPJB-UHFFFAOYSA-N 374.391 2.772 0 50 FFAA CCCOC(=O)[C@@H](CC)n1cnc2sc(C(=O)OCC)c(C)c2c1=O 1778411 PHFPYXDCTCSROQ-LLVKDONJSA-N 366.439 2.847 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2SCCOC)C1 4196326 DRERGTGBGROLPQ-CQSZACIVSA-N 351.468 2.840 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2Cl)CC1 4757474 CSAJYZIWPQSPPB-UHFFFAOYSA-N 350.871 2.992 0 50 FFAA COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3O)n2C)c1 6701259 LECLZZHMFWUMPU-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA COc1cccc2c1OC[C@@H](N1CCCN(Cc3ccncc3)CC1)C2 20783406 DBYYYKLORXFVQK-IBGZPJMESA-N 353.466 2.602 0 50 FFAA Cc1n[nH]c(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)n1 55255576 ZVLFFHQQBDWJRG-UHFFFAOYSA-N 355.442 2.701 0 50 FFAA CC(C)CC(=O)Nc1ccnn1C1CCN(c2cc(N(C)C)ncn2)CC1 67490677 RWFRKUPCILOIRS-UHFFFAOYSA-N 371.489 2.565 0 50 FFAA CC(C)c1nc(N2CCc3nnc(CCc4ccccc4)n3CC2)no1 67675231 JSYFXDRQAZRLNS-UHFFFAOYSA-N 352.442 2.632 0 50 FFAA COCc1cc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)ccc1OC 65430869 WBACDZXTKMLQPY-ZDUSSCGKSA-N 361.467 2.516 0 50 FFAA CCNc1ncc(-c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)cn1 67869207 PUQKTOABFNANNJ-SFHVURJKSA-N 355.373 2.804 0 50 FFAA O=C1CCCN1c1ccc(N2CCC(NC[C@@H]3CCCOC3)CC2)cc1 23369351 RJJYMOYZWPZSKH-KRWDZBQOSA-N 357.498 2.798 0 50 FFAA CN(Cc1cnc2ncccn12)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328650262 VMGDYTRTGONBKT-LBPRGKRZSA-N 364.375 2.639 0 50 FFAA C=Cn1cc(CN2CCc3[nH]cnc3[C@@H]2c2ccc3nsnc3c2)cn1 67920424 FJZRYSVASCTVMO-SFHVURJKSA-N 363.450 2.859 0 50 FFAA O=C(NCc1cccc(-c2ccccn2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 332804190 MMVFMWQCIVTLMX-RXVVDRJESA-N 367.449 2.886 0 50 FFAA CCOC(=O)Cn1nc(C)c(NC(=O)COc2cccc(Cl)c2)c1C 1427200 OKJCZTSOHHLZSA-UHFFFAOYSA-N 365.817 2.734 0 50 FFAA COCCCN1C(=O)CC[C@H]2CN(c3nc4cc(C)ccc4o3)CC[C@H]21 72436180 HPZXDQYVAIYWCD-DOTOQJQBSA-N 357.454 2.990 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1C 12759810 WZIYGFKITJKWKV-UHFFFAOYSA-N 358.507 2.852 0 50 FFAA N[C@@H](CC(=O)NCCCC(=O)N1Cc2ccccc2C1)c1ccccc1 237883677 GDARIZRTUOWLCB-IBGZPJMESA-N 351.450 2.515 0 50 FFAA CCCn1ncc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccn2)c1C 216007708 PEWJRJSUZYIMIK-SFHVURJKSA-N 350.426 2.508 0 50 FFAA O=C1CCc2cc(C(=O)N3CC[C@@](O)(c4ccc(F)cc4)C3)c(F)cc2N1 375023521 UQTLRSLGZCEBOV-FQEVSTJZSA-N 372.371 2.583 0 50 FFAA O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CCCC1CCOCC1 375801414 JUQJRGDLPSFOIB-ZWKOTPCHSA-N 354.491 2.563 0 50 FFAA CC(C)[C@@H]1CN(CCn2ccnc2)CCC(=O)N1Cc1ccc(F)cc1 71712240 QNJQFUUCHZDWHR-IBGZPJMESA-N 358.461 2.781 0 50 FFAA Cc1ccc2cc(CN3CCO[C@H](C(N)=O)C3)c(-c3cccs3)nc2c1 72433804 AKDOQHDURVIFGZ-KRWDZBQOSA-N 367.474 2.958 0 50 FFAA O=C(NC1CCN(Cc2ccco2)CC1)c1cnn(Cc2ccccc2)c1 215338060 PWFQXXYUWZWNCF-UHFFFAOYSA-N 364.449 2.919 0 50 FFAA COCc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)s1 215932990 BBTKTSDXNUWTIG-KRWDZBQOSA-N 354.435 2.801 0 50 FFAA CN1C[C@@]2(CCCN(C(=O)c3[nH]cnc3-c3ccccc3)CC2)OC1=O 72157103 RIHRIAXKNNZRIG-IBGZPJMESA-N 354.410 2.524 0 50 FFAA c1cnc(N2CCC3(CCCN3Cc3cccc4nonc34)CC2)nc1 72432737 YUJZXQBTJUSGLM-UHFFFAOYSA-N 350.426 2.648 0 50 FFAA CCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3ccc(C)cc3)C2)CCC1=O 72418986 VULCQNOJCPYMKJ-JOCHJYFZSA-N 371.525 2.678 0 50 FFAA CCC[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1nccn1C 72428124 RHXDETSCJQDERM-CQSZACIVSA-N 352.398 2.924 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@](O)(CN2CCCC2)C1 77539799 OHYCBBQSIQLKCR-JOCHJYFZSA-N 369.509 2.940 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H](Cn1cccn1)c1ccccc1 221191742 PFIZFRVMLJHVKA-GOSISDBHSA-N 354.454 2.533 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc4c(c3)OCO4)CC2=O)cc1 82107057 VKPNGFXJYKJSMM-AWEZNQCLSA-N 352.390 2.601 0 50 FFAA O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC(c2ncn[nH]2)CC1 221366232 RRGTZJOGXFSFOM-UHFFFAOYSA-N 356.817 2.868 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)c(F)c1 49550977 IOSYRQIDRAKKRN-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA O=C(Cc1noc2ccccc12)NCCc1nc(Cc2ccccc2)no1 221222177 OVENTLRRAASCFC-UHFFFAOYSA-N 362.389 2.703 0 50 FFAA C[C@@H](C(=O)NCc1cnc2cnccn12)N1C(=O)c2cccc3cccc1c23 220232879 FZKXUGSGPBLMHE-ZDUSSCGKSA-N 371.400 2.548 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3ccc4c(c3)OCO4)CC2=O)cc1 82087936 HGNHIPGHLSMBPV-OAHLLOKOSA-N 366.417 2.530 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)C(=O)NCc1cccc(-n2cccn2)c1 426642859 FIWHLRCZYRXLAD-UHFFFAOYSA-N 366.469 2.974 0 50 FFAA O=C(c1ccncc1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95384482 MKNMQAPRLMYETR-OAHLLOKOSA-N 353.451 2.803 0 50 FFAA CCCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 91793361 ZOOFGPJVINFVTF-KRWDZBQOSA-N 373.497 2.628 0 50 FFAA CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 91677684 MTVUOXPGYKBVQA-PKOBYXMFSA-N 370.493 2.877 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 97619615 KHLHSNXFIRVBGF-QPJJXVBHSA-N 364.371 2.900 0 50 FFAA Cc1cccnc1C[C@H](C)NC(=O)N1CCN(C2CCCCC2)C(=O)C1 426548440 FKOQVEABVDNSSU-INIZCTEOSA-N 358.486 2.508 0 50 FFAA NC(=O)Cc1nc([C@@H]2Cc3cc(Cl)ccc3N2)n(Cc2ccccc2)n1 95526006 KVMADEMVIXMXAD-INIZCTEOSA-N 367.840 2.717 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)CC1(C)C 91645798 PKNIMBWZILBXBZ-UHFFFAOYSA-N 366.421 2.972 0 50 FFAA CCNC(=O)[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 95372784 NZRHJJKTIDYTKO-MRXNPFEDSA-N 362.433 2.600 0 50 FFAA Cc1ccccc1[C@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C 95362610 FPEMZMXZSMCRIA-LJQANCHMSA-N 361.555 2.638 0 50 FFAA CCCc1ccc(CN2CCC(c3nnc(Cn4ccnc4)n3C)CC2)o1 91410884 VCZMQGJKUBAVGG-UHFFFAOYSA-N 368.485 2.985 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1NC(=O)N(C)C 91474496 GEWZVDXXSKHIRM-FUHWJXTLSA-N 354.454 2.603 0 50 FFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H](C)O)CC1 95510410 TXKKGGMXGYFWKR-KRWDZBQOSA-N 362.514 2.773 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCn1nc(C)c(Cl)c1C)C2 91526295 AZTCPANNMPFZDB-CQSZACIVSA-N 363.845 2.529 0 50 FFAA O=C1CCCCN1CC(=O)N(CCc1ccccc1)Cc1ccccn1 97823113 ULVACKOKLWPCEK-UHFFFAOYSA-N 351.450 2.665 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccncc3)C2)CN1CCc1ccccn1 91586999 RIRLOGYPBKXOCK-JOCHJYFZSA-N 364.493 2.924 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCCN(Cc3ccncc3)CC2)N(C)C)c1 95378481 UXXIFWFSDPKPRS-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ccc(Cl)cn1)C2 91651663 QPEXTBBHNABIEB-DZGCQCFKSA-N 360.845 2.967 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)CCc1cccnc1)[C@H]1C[C@H](O)C1 244673687 HTUSZMHMBHIBRL-UVFQYZLESA-N 358.413 2.790 0 50 FFAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccc(Br)cc1)[C@H]42)[C@H]3O 244882438 XRPYAYHSAWCBAV-USERQSGBSA-N 364.239 2.544 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]2C[C@@H](O)C2)cn1 244734866 NNDZPFSHAABTQD-YOIRWDDOSA-N 366.339 2.750 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 253399596 DCYPWEXSDWXVGJ-DGCVBNHASA-N 366.509 2.934 0 50 FFAA O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC[C@@H](n2cncn2)C1 183836821 LWJFHWGRBGIRHG-CJNGLKHVSA-N 359.405 2.678 0 50 FFAA Cc1oc2c(c1C(=O)N1CCN(C3CCSCC3)CC1)C(=O)CCC2 299756564 HGIJKMYFDRSMLZ-UHFFFAOYSA-N 362.495 2.760 0 50 FFAA CCn1ncnc1[C@@H](NC(=O)CSc1nc2cc(C)ccc2[nH]1)C1CC1 299760198 OWJBWXOERZBEMX-INIZCTEOSA-N 370.482 2.842 0 50 FFAA Cn1ccnc1SCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 299785238 JZHVBYFAYAMCRB-MSOLQXFVSA-N 370.522 2.635 0 50 FFAA O=C(NCC1CCN(CCCn2cccc2)CC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 828111568 JWEBQVRXWFRPBC-XXPBSIAGSA-N 355.526 2.999 0 50 FFAA O=C(NCCCn1ccccc1=O)N1CCC(Oc2ccc(F)cc2)CC1 584894163 JWVCHQBPMPGXLD-UHFFFAOYSA-N 373.428 2.631 0 50 FFAA COc1cc2c(cc1OC)CN(C1CCN(c3nnc(C)s3)CC1)CC2 670463581 HHNSXISKBBFBLE-UHFFFAOYSA-N 374.510 2.891 0 50 FFAA CC(=O)N1CCN(C(=O)Cc2noc3ccccc23)CC12CCCCC2 271027017 WCVAMAHPTXOPOI-UHFFFAOYSA-N 355.438 2.764 0 50 FFAA COc1ccc2[nH]c(CNC(=O)[C@@H]3CCCN(C4CCOCC4)C3)cc2c1 670455458 ZMPHEKIRCTUJJS-OAHLLOKOSA-N 371.481 2.684 0 50 FFAA O=C(NC[C@@H]1CC2(CCNCC2)CO1)c1cccc(C(F)(F)F)c1F 877337779 WWZXQBQKOTYOCY-NSHDSACASA-N 360.351 2.733 0 50 FFAA CC(C)=CCN1CCC(NC(=O)NCc2cccc(-c3nc[nH]n3)c2)CC1 1875258898 QCBXGDOVXGMWSJ-UHFFFAOYSA-N 368.485 2.702 0 50 FFAA O=C(c1cc(C(F)(F)F)cs1)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1875285148 DRGIIEWFNVKPHB-SSDOTTSWSA-N 359.329 2.598 0 50 FFAA O=C(N[C@@H]1[C@@H](C(=O)O)[C@H]2CCCC[C@H]21)c1cccc(-c2ccncc2)n1 1875334415 NEWADZPWBOHSBZ-DACLVMHWSA-N 351.406 2.763 0 50 FFAA Cc1cc2nc(O)[nH]c2c(NC(=O)[C@@H]2Cc3ccccc3CN2C)c1C 952975990 QTTPHOPJHCSUSW-INIZCTEOSA-N 350.422 2.881 0 50 FFAA COC(=O)CCC(=O)Oc1ccc2c(c1)c(C(=O)OC)c(C)n2C1CC1 880370690 ONFDREHFNIAYJE-UHFFFAOYSA-N 359.378 2.930 0 50 FFAA CCC(=O)Nc1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C 952969783 GWYXVEVCOOQIBE-UHFFFAOYSA-N 360.435 2.999 0 50 FFAA CC1(C)Cc2cc(CN[C@@H]3CCCN(c4nccnc4O)C3)ccc2O1 275363059 BHXSGDBLNVIHRV-MRXNPFEDSA-N 354.454 2.654 0 50 FFAA CNC(=O)c1ccn([C@H]2CCCN(CCCOc3ccccc3C)C2)n1 275526286 BWVVOVUMZWRCKB-KRWDZBQOSA-N 356.470 2.657 0 50 FFAA COc1ccccc1N1CCN(C(=O)Nc2nc3c(s2)COCC3)CC1 172257055 DKZDELIIDOMUIW-UHFFFAOYSA-N 374.466 2.579 0 50 FFAA CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc3c(c1)OCO3)[C@H]2C 188817750 YQNDANSZRYYJKK-IYNGYCSASA-N 354.410 2.747 0 50 FFAA O=C(NC[C@H](CO)[C@H]1CCOC1)c1c(-n2cccc2)sc2c1CCCC2 225485287 REMSSGKDLINBHH-LSDHHAIUSA-N 374.506 2.792 0 50 FFAA COc1cc(C(=O)N2CCN(C(=O)c3ccoc3Cl)CC2)ccc1C 192280189 JKTQFEZEFQCERK-UHFFFAOYSA-N 362.813 2.848 0 50 FFAA Cc1noc2ncnc(NC[C@H](c3cccc(F)c3)N3CCOCC3)c12 193391955 VWSRQKFFJLLGLD-OAHLLOKOSA-N 357.389 2.551 0 50 FFAA O=C1O[C@H]2CN(Cc3c(F)cccc3F)C[C@H]2N1CCc1ccccn1 207678713 ZVXSYBGAOOJJNZ-MSOLQXFVSA-N 359.376 2.608 0 50 FFAA O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)c1cn(Cc2ccccc2F)nn1 211084390 XYRZNPDITGCZSW-JYJNAYRXSA-N 352.413 2.798 0 50 FFAA COc1ccccc1[C@H]1CN(C(=O)c2cccn2C2CC2)C[C@@H]1C(=O)O 213041955 UTYSAPMKQKRMFL-CVEARBPZSA-N 354.406 2.772 0 50 FFAA Cc1ncc(CN2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)[nH]1 217009009 ZXEVKMHJWMZHKF-QAPCUYQASA-N 358.511 2.835 0 50 FFAA CCCOc1ccccc1-c1nnc(NC2CCS(=O)(=O)CC2)o1 1772700669 FZCYPJMRVSCYOJ-UHFFFAOYSA-N 351.428 2.515 0 50 FFAA COC(=O)CN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 12073804 QLKPGBCXPZCFFO-UHFFFAOYSA-N 372.299 2.517 0 50 FFAA CC(C)S(=O)(=O)c1ncc(CN2CCCC2)n1CCc1ccccc1 15067910 LWXWTRBKDZJLQH-UHFFFAOYSA-N 361.511 2.904 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCCN1CCOCC1 19301016 HOLNUEFRVFDMRG-LJQANCHMSA-N 356.441 2.796 0 50 FFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccccn3)CCCCC2)o1 1857526887 IKHVHKVCPPKAJD-UHFFFAOYSA-N 356.422 2.957 0 50 FFAA CC(=O)NC[C@H]1[C@H]2CN(c3cc(C)nc4ccc(F)cc34)C[C@]23CC[C@H]1O3 1857739178 LJODKDNMJTWKPO-XWDORNJCSA-N 369.440 2.802 0 50 FFAA CCOc1cc(N2CCN(c3ncc(Cl)cc3Cl)CC2)ncn1 121777140 QVHFTWRKYSUWNR-UHFFFAOYSA-N 354.241 2.904 0 50 FFAA Cc1cc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)sc1C(=O)O 333239470 WBKQVNHPXMYCBV-CYDGBPFRSA-N 353.465 2.587 0 50 FFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1Cc2ccccc2O1 238126715 HKTXSYUEYJLMHX-QGZVFWFLSA-N 361.344 2.772 0 50 FFAA CCCn1ncc(CN2C[C@H](c3ccccc3OC)[C@@H](C(=O)O)C2)c1C 247843265 RCGBRKWSOJRUDN-MSOLQXFVSA-N 357.454 2.910 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1c(C)noc1C)CC2 263065293 VVOAWMSUJRYXJC-CQSZACIVSA-N 374.393 2.523 0 50 FFAA C[C@H](Cn1cncn1)NC(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 912439732 CJVYLCFIDXYLJV-CQSZACIVSA-N 352.442 2.737 0 50 FFAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(O)=Nc2nc3ccccc3n21 9016161 MEGOGTOLMYHVST-CQSZACIVSA-N 364.361 2.979 0 50 FFAA Cn1c(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)cc2c1CCNC2 2325808278 MKZQXZYWDYCXTM-GOSISDBHSA-N 359.857 2.538 0 50 FFAA Cc1cc(-c2nc(=O)o[nH]2)cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)n1 2325822203 JHLXYZDXCZUOFN-LLVKDONJSA-N 356.357 2.706 0 50 FFAA C=Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1 2325842760 HTWJVWWZYLJKDN-INIZCTEOSA-N 352.438 2.821 0 50 FFAA C[C@H](NCc1ccc2c(c1)C(=O)NC2)C(=O)Nc1cccc2ncccc12 2325898876 AZWMOXMPHQTNHZ-ZDUSSCGKSA-N 360.417 2.595 0 50 FFAA O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)ccc1Br 758102 AOHGQCPMEHMVAK-VIFPVBQESA-N 354.653 2.560 0 50 FFAA COc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O 1149871 DFQSMROFAUKVAC-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA NS(=O)(=O)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 2859170 GNIPDJDIZRFDOQ-INIZCTEOSA-N 361.492 2.698 0 50 FFAA O=C(NCCCNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 4487354 NZNHKKZAVJHBKX-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA CCN1CCN(C(=O)c2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1=O 55309174 JHWSMEDSFVKJSC-AWEZNQCLSA-N 357.454 2.508 0 50 FFAA CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3C)C2)s1 9224842 PEHQUDGGKLQGAJ-CYBMUJFWSA-N 374.466 2.732 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1Cc1cccs1 106685998 ZEEIDUASHOEYHT-OAHLLOKOSA-N 374.535 2.822 0 50 FFAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(-n2ccnc2)cc1 248153838 AYRIWSHWMKLBEV-LZDZAVHKSA-N 351.406 2.572 0 50 FFAA CCC(=O)Nc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1 52429686 SFLJRNJGVFUXKV-UHFFFAOYSA-N 351.450 2.823 0 50 FFAA Cc1nnc(SCCCNC(=O)c2coc3c2C(=O)CCC3)s1 55089479 ZNNXOXNTMBTQHO-UHFFFAOYSA-N 351.453 2.871 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@H]2CCO)c(F)c1 104503138 NIJVJZQBWXQTRH-GOSISDBHSA-N 374.456 2.609 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1cccc(NC(=O)C2CCCC2)c1)C(F)(F)F 65422625 BCBHZKXFUZZGDA-CYBMUJFWSA-N 372.343 2.951 0 50 FFAA O=C(C1CC1)N1CCC[C@@H](c2nc(Cc3ccc4n[nH]cc4c3)no2)C1 349635862 ZAEICNCEYSXUNK-CQSZACIVSA-N 351.410 2.653 0 50 FFAA O=C(NCC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 29631627 PTEFGAGGGPNBTE-OAHLLOKOSA-N 370.540 2.845 0 50 FFAA CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)n1 65500520 SWLBJFMFWVVPPH-LBPRGKRZSA-N 359.455 2.997 0 50 FFAA COc1ccc(-n2c(C)nc3ccc(OC(=O)N(C)C)cc3c2=O)cc1 20426617 HUNUPRDVMPRLKZ-UHFFFAOYSA-N 353.378 2.763 0 50 FFAA COc1ccc(-c2cnnc(NCc3nnc(-c4ccccc4)[nH]3)n2)cc1 12387495 GLCKLLRQFBLKCF-UHFFFAOYSA-N 359.393 2.944 0 50 FFAA O=C(NC[C@H]1CCCCO1)C1(Oc2ccc(Cl)cc2)CCNCC1 65397512 UDNQGRCMWXOTCU-MRXNPFEDSA-N 352.862 2.526 0 50 FFAA CCN(Cc1ccc(-c2nc3ccccc3n2C)o1)[C@@H]1CCS(=O)(=O)C1 67446641 WYFLJAMGZDKQNU-CQSZACIVSA-N 373.478 2.842 0 50 FFAA Cc1nn(C)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1Br 2781104 DAQCYPAOMXEKBX-UHFFFAOYSA-N 371.260 2.521 0 50 FFAA COCCc1nc2ccc(C(=O)N3CCC[C@H]3c3nonc3C)cc2o1 12028496 BDFKRXRUDJLZFO-AWEZNQCLSA-N 356.382 2.685 0 50 FFAA Clc1snnc1CN(Cc1nccs1)[C@H]1CC12CCNCC2 328604172 IRHJERRWEBFTNB-NSHDSACASA-N 355.920 2.792 0 50 FFAA C[C@@]1(O)CCCN(Cc2ccc(OCCCN3CCOCC3)cc2)CC1 216204428 ZUPGPDCIGANGIM-OAQYLSRUSA-N 362.514 2.525 0 50 FFAA COc1cc(OC)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1OC 6763523 DLWACQLZMYXQKL-NSHDSACASA-N 359.378 2.932 0 50 FFAA CNc1cc(N2CCC[C@H]2CN[C@@H]2CCCc3ccc(O)cc32)ncn1 329736450 LLXWWJJKXZEGBO-MAUKXSAKSA-N 353.470 2.860 0 50 FFAA Cc1cccc2nc(C(=O)N3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)cn12 72157130 SCXXZECMWQLJOK-SFHVURJKSA-N 368.481 2.752 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)c1 72128886 QDFHPVYUBCYYJN-ZDUSSCGKSA-N 369.437 2.732 0 50 FFAA CN(CCn1c(=O)oc2ccccc21)Cc1cc(-c2ccncc2)no1 216004617 OUNBIMKDBAEXSA-UHFFFAOYSA-N 350.378 2.777 0 50 FFAA O=C(c1cccc(O)c1)N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 72478726 AKBKLFYTFIPBKV-FQEVSTJZSA-N 368.477 2.534 0 50 FFAA Cc1nc(NC(=O)[C@@H]2CN(C)CCO2)sc1Cc1ccc(F)cc1F 333614874 HKPFECVEROOKQL-AWEZNQCLSA-N 367.421 2.590 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@H](OCc2cccnc2)C1 77540373 LJQHWUADCWVUMH-LBPRGKRZSA-N 354.332 2.645 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)nn1 72431127 LKMSAYMJGYVHES-FQEVSTJZSA-N 351.454 2.589 0 50 FFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H](N)c3ccccc3)C2)n1 237740883 IUQLQRNNNNEDFV-MSOLQXFVSA-N 366.465 2.657 0 50 FFAA Cc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)n1Cc1cccs1 237701619 CWMLLNUNCWIPRI-CQSZACIVSA-N 362.451 2.530 0 50 FFAA NC[C@H]1CCC[C@H]1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 158005572 WZRSDGJCMKNYIZ-CZUORRHYSA-N 367.478 2.853 0 50 FFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)C1 241564183 OSALMBLCMZYCLA-OLMNPRSZSA-N 371.481 2.658 0 50 FFAA COc1ccccc1CCCNC(=O)c1ccc(CN2CCOCC2)cc1 44906703 QDRMLWIPSJEHIM-UHFFFAOYSA-N 368.477 2.890 0 50 FFAA Cn1c(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cc2cccc(Cl)c21 426465514 VUGRRRVQPMZWJF-RDJZCZTQSA-N 361.873 2.815 0 50 FFAA CN(C)Cc1cccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)c1 426398953 BCCDLMCUUQNABY-UHFFFAOYSA-N 363.505 2.673 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1CCC([C@H](O)Cc2ccccc2)CC1 82092371 BCBAHOYXBYHASR-LJQANCHMSA-N 351.450 2.810 0 50 FFAA CC(C)c1nc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cs1 223551209 KSMFHMIDEQZLKE-OCCSQVGLSA-N 367.496 2.827 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](c2ccn(CCO)n2)C1 426488557 WUJPBAPZKBHYFV-KRWDZBQOSA-N 366.465 2.696 0 50 FFAA Cc1noc(C2CCC(NC[C@H]3CCCN(c4ncccn4)C3)CC2)n1 225510560 VNMHNTOUXTWTGV-KLAILNCOSA-N 356.474 2.700 0 50 FFAA COc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c(C)c1 82109465 WPPWJKSBHKNQLI-NRFANRHFSA-N 360.498 2.591 0 50 FFAA COc1ccc(CCNC(=O)c2c(C)c3ccccc3[nH]c2=O)cc1OC 145139873 RLMKCOAAOYTUIF-UHFFFAOYSA-N 366.417 2.826 0 50 FFAA O=CN1CCN(Cc2nc(NCc3cccs3)c3ccccc3n2)CC1 20998409 QBJHWBKQHROYIB-UHFFFAOYSA-N 367.478 2.577 0 50 FFAA Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239025416 BODRQXFVWRTZSH-PSJNWGMYSA-N 364.445 2.685 0 50 FFAA COCCN1CCC[C@H](CNC(=O)N2CCC(c3ccccc3)CC2)C1 426441925 QMIQTZKADMGJQD-GOSISDBHSA-N 359.514 2.934 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3ccccc3[C@H]2CC(=O)O)n(C)n1 95524911 UFINCDDGMYFHCK-QGZVFWFLSA-N 355.438 2.833 0 50 FFAA COCc1nc([C@@H]2CCOC2)cc(N2CCC(O)(c3ccccc3)CC2)n1 426359507 IXQCFCTZPZGHOQ-MRXNPFEDSA-N 369.465 2.615 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@H]2CCOc3ccccc3C2)C1 95524152 RFFLTKPQGVYEDF-INIZCTEOSA-N 353.418 2.926 0 50 FFAA CCn1ncnc1[C@@H](NCc1cc(=O)c2c(C)ccc(C)c2[nH]1)C1CC1 91745992 QUHOJHUBEDSVOY-IBGZPJMESA-N 351.454 2.997 0 50 FFAA CC(C)c1nnc2n1C[C@H](N[C@H]1CCN(Cc3ccccn3)C[C@@H]1C)CC2 180518751 LLVXCFXKRBBXIU-UHOSZYNNSA-N 368.529 2.612 0 50 FFAA O=C(NCCCn1ncc2ccccc21)[C@H](c1cccnc1)N1CCCC1 95364445 JQGLNGFWRQLUEL-FQEVSTJZSA-N 363.465 2.775 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(Cc2noc(C3CCCC3)n2)C1 91808162 BCKFAJNWHJYSPO-INIZCTEOSA-N 359.474 2.950 0 50 FFAA CN1CCN(C(=O)Nc2ccc(SCCc3ccccn3)cc2)CC1=O 96141953 NBKQNDACCINKFC-UHFFFAOYSA-N 370.478 2.722 0 50 FFAA Cc1nn(C)c2nc(N3CCN(CCOc4ccccc4)CC3)sc12 95504504 BINAVCITBBXCJR-UHFFFAOYSA-N 357.483 2.539 0 50 FFAA COCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 95218022 RLUVMBLYZCNPKS-SFHVURJKSA-N 356.422 2.807 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 238057963 FHSPOZQWTWFDCA-VIFPVBQESA-N 357.193 2.790 0 50 FFAA Cc1nc(C2CC2)ncc1C(=O)N1CCC[C@H](OCc2cccnc2)C1 95388264 UNHPELPFJRAAKD-KRWDZBQOSA-N 352.438 2.879 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(F)cc3Cl)CC2)CN1CCO 91845782 WHMIETPCECKPAI-UHFFFAOYSA-N 354.853 2.676 0 50 FFAA CNc1cc(C(=O)N[C@H](c2ccc(OC)c(F)c2)[C@H]2C[C@@H](O)C2)ccn1 244852760 UYEVVISHSSXLFX-QWQRMKEZSA-N 359.401 2.513 0 50 FFAA O=C(CCC(=O)Nc1ccccc1)NCc1nncn1C1CCCCC1 243932127 BTDBNRWJUQEZSO-UHFFFAOYSA-N 355.442 2.818 0 50 FFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](Cn2ccnn2)C1 183741584 FNLORVPTQPYQRM-INIZCTEOSA-N 365.441 2.716 0 50 FFAA COCCN(Cc1cccnc1)C(=O)Nc1cc(C(=O)OC)ccc1C 263930725 KAGUXHDWLHMHCA-UHFFFAOYSA-N 357.410 2.857 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)NCc1ccc(CN2CCCC2)cc1 299768303 SXNPDZGSEKFLNF-FQEVSTJZSA-N 368.477 2.647 0 50 FFAA Cc1nccn1[C@@H](C)Cc1nc(-c2c[nH]c3ccccc23)nn1CCO 828776925 LUOLUPLELIZERL-ZDUSSCGKSA-N 350.426 2.727 0 50 FFAA C[C@H]1CN([C@H](C)c2nc(-c3ccc(Cl)cc3)nn2CCO)C[C@@H](C)O1 828776939 MWJVJIUMXFOOFP-HZSPNIEDSA-N 364.877 2.761 0 50 FFAA CN(Cc1cccc2cccnc12)C(=O)NCCc1nc(C2CC2)no1 584895580 CEHRIPBDPAQMTP-UHFFFAOYSA-N 351.410 2.879 0 50 FFAA OCCCc1nc(-c2cnn(CC3CCOCC3)c2)n(C2CCCC2)n1 1875349126 NNQDNXMACGZOIG-UHFFFAOYSA-N 359.474 2.608 0 50 FFAA C[C@H](NC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1cc(C(F)(F)F)n[nH]1 1875320838 MPFBCJNVRQOBJO-IUCAKERBSA-N 368.315 2.775 0 50 FFAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 880287874 MCSACGJPEZTWAN-WHIIXXIBSA-N 365.433 2.712 0 50 FFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(-n3cccn3)ccc2C)C1 952987540 OIDWKAIMNGMKTE-KRWDZBQOSA-N 363.483 2.760 0 50 FFAA CO[C@H](C)c1nc(CNC(=O)c2ccccc2N2CCCC2=O)cs1 1331531854 SAIMIUXJMKWSAV-GFCCVEGCSA-N 359.451 2.907 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cn2cc(Cl)ccc2n1 1565527611 MCZAUHBXSRTNDX-HOCLYGCPSA-N 363.845 2.858 0 50 FFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC1CCN(Cc2ccccc2)CC1 275635116 SQFAWXNTTBXURT-GHTZIAJQSA-N 354.498 2.752 0 50 FFAA COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)Oc1ccc(OC)cc1 170641312 KLBPPXLEPCXNGA-ZDUSSCGKSA-N 355.390 2.838 0 50 FFAA C[C@H](O)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 171764612 XLTVUDUIYPXDGP-OXJNMPFZSA-N 366.461 2.909 0 50 FFAA Cc1ccc(Cc2nnn(CC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1 190689210 ZNMLGKCCJWCCNK-UHFFFAOYSA-N 355.486 2.857 0 50 FFAA C[C@H](NC(=O)[C@@H](C)OC(=O)c1cnc2nccnc2c1)c1ccc(F)cc1 759811794 OVOSNLYXGFTIQB-NWDGAFQWSA-N 368.368 2.587 0 50 FFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1Cc2ccccc2C(=O)N1 1506399206 KRXWBMHDSOJWMX-INIZCTEOSA-N 368.824 2.529 0 50 FFAA O=C(c1cncc(NCCCc2nc3ccc(F)cc3[nH]2)n1)N1CCCC1 1529172245 ATZMTMOINZNTSD-UHFFFAOYSA-N 368.416 2.773 0 50 FFAA O=C(c1cccnc1NC1CCN(C(=O)C2CCCC2)CC1)N1CCCC1 1704353066 PLTAAQHDRPOUGE-UHFFFAOYSA-N 370.497 2.911 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(c2cncc(N(C)C)n2)CC1 1704314461 QYTVRMWVFRRGED-UHFFFAOYSA-N 354.454 2.620 0 50 FFAA CC(C)Oc1ccc(OCCN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1 1704339161 OQTJCPWIZUHTFD-WIYYLYMNSA-N 356.466 2.783 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cc(C4CC4)ncn3)C1)CC2 1704335522 AZOZGVMQGKYACV-HXUWFJFHSA-N 350.470 2.694 0 50 FFAA Cc1c(CN2CCC3(CC2)C[C@@H]3C(=O)NCc2ccccc2)cnn1C 11971976 BGRDPZNZFLPVDC-LJQANCHMSA-N 352.482 2.647 0 50 FFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)nn1 12279116 ZNAGSRVYNMNNIE-QGZVFWFLSA-N 371.485 2.606 0 50 FFAA CC(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)cs1 15070616 NDDGVYYRLKXEKR-KRWDZBQOSA-N 370.474 2.914 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)CCn1cnc3ccccc31)C2 1857671050 NJFREGZATPAWRA-INIZCTEOSA-N 365.433 2.755 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc(CO)cc1)CC2 1857698756 HGPGYJKKZZNVHC-UHFFFAOYSA-N 361.445 2.820 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3oc(C)nc3C)[C@H]3CC[C@]2(C1)O3 1857732602 XUWSGGDUSKZGTH-XKGFGPFHSA-N 373.497 2.857 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2NC2CCN(Cc3ccncc3)CC2)cn1 328632297 LIQOLLIEYGIEOT-LEWJYISDSA-N 369.513 2.772 0 50 FFAA COc1ncc(Cl)c(N2CCCN(C(=O)CC3CCCC3)CC2)n1 330175942 BYKOKGDWGWRQGH-UHFFFAOYSA-N 352.866 2.758 0 50 FFAA COc1ccc(CNC(=O)CNC(=O)c2ccccc2CC(C)C)cc1 240744130 HUTWJXPUYIKRPP-UHFFFAOYSA-N 354.450 2.940 0 50 FFAA O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2nnc3n2CCCCC3)C1 263750112 PQOZKEMVSZPLTJ-INIZCTEOSA-N 372.448 2.540 0 50 FFAA C[C@H]1Cn2nc(C(=O)O)cc2CN1C(=O)[C@H](C)c1cn(C)c2ccccc12 908440578 UWJBCCGSNFFWRC-QWHCGFSZSA-N 366.421 2.607 0 50 FFAA CC1(C)[C@@H](NC(=O)c2cccc(-c3cnco3)c2)C[C@H]1N1CCOCC1 828172141 SSNRZTOJMUAPFH-ZWKOTPCHSA-N 355.438 2.571 0 50 FFAA O=C(CC1CC(=O)NC(=O)C1)NCCc1ccc(C2CCCCC2)cc1 2325780456 IKLKXGADUDXNIG-UHFFFAOYSA-N 356.466 2.836 0 50 FFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCCN[C@@H](c2ccccc2)C1 2325783233 GJERJMUHFIIBQR-LJQANCHMSA-N 361.449 2.508 0 50 FFAA Cc1nc2ncccc2cc1CCC(=O)N1CCN[C@H](Cc2ccccc2)C1 2325805097 OYQZZIUCGBFYHS-OAQYLSRUSA-N 374.488 2.914 0 50 FFAA Cc1cccc(C)c1C(=O)N[C@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842767 HYNIKOVTBSPCAO-HNNXBMFYSA-N 354.454 2.794 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)cc1C 2325843219 ZEXQZTOQDKZDGH-INIZCTEOSA-N 354.454 2.794 0 50 FFAA N[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 876552635 XTLIMXVPMBMBML-CJNGLKHVSA-N 366.339 2.661 0 50 FFAA COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1OC 754234 JLKKXFLIQLNLAN-QAPCUYQASA-N 352.390 2.873 0 50 FFAA biogenic,in-vitro CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 1015658 IABQWWUNTIXIET-UHFFFAOYSA-N 374.796 2.877 0 50 FFAA Cc1ccsc1CC1(CCc2ccncc2)C(=O)N(C)C(=O)N(C)C1=O 1025012 OROAAZZZBADYFP-UHFFFAOYSA-N 371.462 2.664 0 50 FFAA Cc1cc(N(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)nc(-c2cccnc2)n1 2356138417 AYWYTYQSCNPSDI-BBWFWOEESA-N 351.454 2.540 0 50 FFAA CC(C)Cc1nnc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 2356146627 NOZNIHMXVKWXFL-IAGOWNOFSA-N 358.511 2.999 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 4731671 FLWOBAJACXYPRU-MRXNPFEDSA-N 367.424 2.527 0 50 FFAA COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2O)n1C 4736177 VAWWDYXPLVBOOD-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 6186387 RMEYJLMWLPURJQ-PJVNQZCDSA-N 364.482 2.616 0 50 FFAA N[C@@H](CNC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1 416942737 SFWBGUWWUNOXNN-SFHVURJKSA-N 353.470 2.571 0 50 FFAA Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1 20848769 NUHKJXNOADCVRQ-UHFFFAOYSA-N 352.379 2.940 0 50 FFAA CCCc1nc(NCCC2=CSC3=NCCCN23)c2cnn(C)c2n1 102419559 UKFXVDSMGUTVEM-UHFFFAOYSA-N 357.487 2.768 0 50 FFAA O=C(Nc1ccc2nc(S)[nH]c2c1)[C@@H]1CCCN1C(=O)C1CCCC1 135514584 UENXUQSJAVEGTK-HNNXBMFYSA-N 358.467 2.971 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCCC[C@@H]2CCO)no1 67856380 IBTDLYHYTWGMJJ-QGZVFWFLSA-N 357.454 2.684 0 50 FFAA COC(=O)[C@H](C)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67974236 LGVXFGFHIWIXGG-NSHDSACASA-N 362.813 2.864 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)Nc1cnn2c1NCCC2 1506416520 JRUWHTSGVTYSBR-UHFFFAOYSA-N 360.439 2.591 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 229594187 HOQUAHDCBMHELB-QIIPPGSGSA-N 350.484 2.539 0 50 FFAA c1ccc(CN2CCCO[C@@H](CN3CC[C@@H](CN4CCCC4)C3)C2)cc1 252516537 TYWYNSCZJLXCTE-FCHUYYIVSA-N 357.542 2.695 0 50 FFAA O=C(NC1(c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)c2ccccc21 284061994 TVFYIOMXDVLJNE-CQSZACIVSA-N 359.422 2.892 0 50 FFAA O=C(Cc1cncn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 431662227 PPYWNXCNDAEDPW-UHFFFAOYSA-N 360.461 2.823 0 50 FFAA COc1ccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)c(OC)c1C 65403363 GVAITUFEXYOYKG-AWEZNQCLSA-N 351.406 2.812 0 50 FFAA Cc1nc(CN2CCCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)cs1 329216712 OYTRUUKLHQTKGD-UHFFFAOYSA-N 373.457 2.815 0 50 FFAA CCc1ncc(-c2nccn2[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 77457656 ZZHHYFMDCVPGPH-ZDUSSCGKSA-N 356.451 2.915 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)c1C 72164281 DANUJNLNCSOXIW-SFHVURJKSA-N 366.461 2.925 0 50 FFAA O=C([C@H]1CCc2nncn2C1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 330350719 LKKVIMQMUWVSOA-AWEZNQCLSA-N 365.412 2.777 0 50 FFAA CN(C)C(=O)CCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 77521095 POBNRSAMWDKZBT-HNNXBMFYSA-N 372.444 2.790 0 50 FFAA COc1ccc(Nc2nc(C(=O)N(C)Cc3cnn(C)c3)cs2)cc1 154984720 TTXUTGPELLZJTH-UHFFFAOYSA-N 357.439 2.901 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 333512729 MHXXOIALXKGTCU-WNRNVDISSA-N 368.481 2.903 0 50 FFAA COc1ccccc1-c1cccc(C(=O)N2CCC[C@](O)(CO)CC2)c1 72152811 SXKOZECPEASRCA-OAQYLSRUSA-N 355.434 2.712 0 50 FFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnc(C2CC2)[nH]c1=O 72430328 QSTUPVLILWWJEF-UHFFFAOYSA-N 350.378 2.575 0 50 FFAA CCOc1ccc(-c2ccnc(N3CCC(C(=O)O)CC3)n2)cc1C(=O)O 77535595 YXXGKVLWRKMBBG-UHFFFAOYSA-N 371.393 2.542 0 50 FFAA Cc1nn(C)c(Cl)c1CN1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 284698949 TVYGGTVCNKTXPV-MFKMUULPSA-N 351.838 2.604 0 50 FFAA COc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)c2ccccc12 262362102 CVTQZFMVAGWUQN-UHFFFAOYSA-N 363.435 2.770 0 50 FFAA O=c1c2ccc(C(F)(F)F)cc2ncn1CCCN1CCCC[C@H]1CO 32593119 IYWFXZFKEMVVCI-AWEZNQCLSA-N 369.387 2.652 0 50 FFAA CCc1nc(N(C)Cc2nccn2Cc2ccccc2)c2cnn(C)c2n1 72125395 WEVBINWJTUXQHS-UHFFFAOYSA-N 361.453 2.807 0 50 FFAA CC(C)c1ccc(-n2cc(CN3CCC[C@@](O)(CN(C)C)C3)cn2)cc1 72454606 SJVWGKGBWKPPKG-OAQYLSRUSA-N 356.514 2.884 0 50 FFAA CN(C)Cc1nnc([C@H]2CCCN(Cc3ccc(Cl)s3)C2)n1C 72462667 CRNNWDXNXAFATN-LBPRGKRZSA-N 353.923 2.971 0 50 FFAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 77438718 CRTZEBQLUPRIQF-MRXNPFEDSA-N 355.438 2.705 0 50 FFAA CC(C)c1noc(-c2ccc(N3CCC(c4nncn4C)CC3)nc2)n1 72429640 IVTFUKBXWOVCGV-UHFFFAOYSA-N 353.430 2.768 0 50 FFAA CN1C(=O)[C@@](CC(=O)NCc2ncc[nH]2)(Cc2ccccc2)c2ccccc21 71745622 MKCNIWKOGGOZAA-JOCHJYFZSA-N 374.444 2.573 0 50 FFAA C[C@H]1CN([C@H](CNCc2cncn2C)c2c(F)cccc2Cl)CCO1 263844259 JDMLCLQTZMGLSC-SUMWQHHRSA-N 366.868 2.764 0 50 FFAA CC(C)N1C[C@H](NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1=O 426720019 SYBGKLXQSTVBBN-CYBMUJFWSA-N 357.376 2.856 0 50 FFAA COc1ccc(-c2n[nH]cc2CNc2cc([C@@H]3CCOC3)nc(C)n2)cc1 426412383 KWBILCJZWITLGA-OAHLLOKOSA-N 365.437 3.300 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(F)ccc1OCCN)C(C)C 426383319 PWCLCDHQYDUDJL-UHFFFAOYSA-N 362.449 2.564 0 50 FFAA CC(C)Cn1cncc1CNC(=O)c1ccc(-c2cnc(N)cn2)cc1 426740608 UHSPSZPHYUNQQB-UHFFFAOYSA-N 350.426 2.508 0 50 FFAA COc1cc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)ccc1O 426578719 OMMSVFIKSZCCAH-UHFFFAOYSA-N 371.433 2.587 0 50 FFAA COc1ccc(C[C@H](N)c2nc(C3CC3)nn2C2CCN(C)CC2)cc1 96148649 AQDXXOKSSAXAAB-SFHVURJKSA-N 355.486 2.673 0 50 FFAA CCOc1ccccc1OCCN1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95510536 LJVOHMSSSWHYPK-XMSQKQJNSA-N 369.461 2.935 0 50 FFAA CCn1cc(CN2C[C@H](C3CC3)[C@@H](NC(=O)CCC(F)(F)F)C2)cn1 91694441 CBYNKMQIECRWMK-CABCVRRESA-N 358.408 2.572 0 50 FFAA CC(C)c1nnsc1CNC(=O)Nc1cccc(Cn2cncn2)c1 96141180 IEHSJSYIFRFJDV-UHFFFAOYSA-N 357.443 2.623 0 50 FFAA Cc1ccc(CN2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)o1 91587131 FPMBHKOSKBUGLH-UHFFFAOYSA-N 356.470 2.745 0 50 FFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC(Oc2ncccn2)CC1 97463540 PEPDWIITMCBMDZ-UHFFFAOYSA-N 363.421 2.859 0 50 FFAA Cc1noc2ncnc(N3CC[C@]4(CCCN(CC5CCC5)C4=O)C3)c12 91876808 UCCFCYMASJABTH-LJQANCHMSA-N 355.442 2.545 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CCOc2ccccc2C1 97301398 CTCQDGJRPOVQGG-LJQANCHMSA-N 365.477 2.804 0 50 FFAA CSCc1nc(CCNC(=O)Nc2ccc3c(c2)CC(=O)N3)cs1 96163015 GODGUDOYFIOSBT-UHFFFAOYSA-N 362.480 2.865 0 50 FFAA COc1ccccc1[C@H]1CNC(=O)c2nc(-c3nc(C)cc(C)n3)[nH]c2C1 95355490 KYNVKGROEBANNX-CYBMUJFWSA-N 363.421 2.562 0 50 FFAA CC(C)N1CCC(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 95504921 CCXDTYPCMUFXQP-MRXNPFEDSA-N 358.404 2.975 0 50 FFAA O=C(CCc1nc2ccccc2s1)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 96138117 WWGGTTPEBLUTIL-ZDUSSCGKSA-N 368.462 2.718 0 50 FFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cccn3cnnc23)C1 299780358 ADSRZLAYUOIRAU-INIZCTEOSA-N 350.422 2.969 0 50 FFAA COc1ccc(CN2CCN(c3ccccc3C)CC2)cc1OCCN 299779206 UQXHFFQXZQGIMG-UHFFFAOYSA-N 355.482 2.663 0 50 FFAA CCCCN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 299781196 VOQVFCOFIGIITR-LJQANCHMSA-N 364.461 2.696 0 50 FFAA COc1cccc(CCC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)c1 824776196 UCPJGLTWLPDKSO-MRXNPFEDSA-N 356.422 2.642 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)c1ccc(COc2ccccc2)cc1 670459262 MNDIWSIJLGUHCX-HXUWFJFHSA-N 368.477 2.842 0 50 FFAA C[C@@]12CC3(F)CC(C(=O)N4Cc5nc(O)nc(O)c5C4)(C1)C[C@](C)(C3)C2 1875302483 RYTGRPFAZCXLAU-LPOKXYRGSA-N 361.417 2.819 0 50 FFAA O=C(CCc1ccon1)N1C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCC(F)(F)C1 1875407000 QPEPMACQCVAQCK-BMFZPTHFSA-N 353.413 2.718 0 50 FFAA CCc1ncncc1C(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952848939 OBRQXMWYRCVUQN-CABCVRRESA-N 354.458 2.546 0 50 FFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)cc4nc[nH]c24)C3)o1 952851371 JLJVLVAWJXKWOB-VOJFVSQTSA-N 355.373 2.587 0 50 FFAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)ccc2OC)C3)o1 952887082 WIXUDQIFZPQXMH-BUXKBTBVSA-N 359.401 2.974 0 50 FFAA O=C(O)[C@H]1CC12CC(C(=O)N1CCC[C@H](c3nc4ccccc4[nH]3)C1)C2 1875278092 YIRPFLUVOYPAFB-ZLSHJHNNSA-N 353.422 2.770 0 50 FFAA C[C@H]1[C@H](C)c2ccccc2N1C(=O)COC(=O)c1nc[nH]c2nccc1-2 1875294201 DBEFZHQBEYXBBF-RYUDHWBXSA-N 350.378 2.605 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)n1 952972437 VSRIDDRVLYVULJ-UHFFFAOYSA-N 366.425 2.998 0 50 FFAA CCCn1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c1C 1565529460 DFQXOVSUHIMJNX-QAPCUYQASA-N 373.526 2.681 0 50 FFAA CNC(=O)CCCCC(=O)Nc1ccc(I)cc1 170601851 FWOPJZOKENDVFA-UHFFFAOYSA-N 360.195 2.536 0 50 FFAA CCc1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)s1 171228217 GUPRSDYFVHFRQP-UHFFFAOYSA-N 361.471 2.557 0 50 FFAA CCC[C@@H](NC(=O)c1c(C)noc1C)C(=O)N1CCc2sccc2C1 171325947 OBOYFVHVYCTBJS-CQSZACIVSA-N 361.467 2.836 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(Br)o1 190116023 YANGTBYQVAXTID-GWCFXTLKSA-N 368.231 2.909 0 50 FFAA CC(C)(C)n1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)nn1 190654075 ODGXUJXXEVKXII-UHFFFAOYSA-N 361.877 2.645 0 50 FFAA CC(C)(C)n1cc(C(=O)NCc2cccc(COC3CCOCC3)c2)nn1 191613385 WURCGOSVSKEKFA-UHFFFAOYSA-N 372.469 2.659 0 50 FFAA C[C@H](NC(=O)COC(=O)c1nnc(O)c2ccccc12)c1ccc(F)cc1 745884768 BHOQWETVAPIARQ-NSHDSACASA-N 369.352 2.509 0 50 FFAA CN(C)c1noc([C@@H]2CCCN(C(=O)C3C4CC5CC(C4)CC3C5)C2)n1 194485826 KTDPGWJYQWCYKW-GSVLIZDISA-N 358.486 2.914 0 50 FFAA COc1ccc(-c2nnc(S(=O)(=O)Cc3ccccc3C)[nH]2)c(OC)c1 195188712 LUCYCWCNVMRXNK-UHFFFAOYSA-N 373.434 2.771 0 50 FFAA O=C(Nc1nc2c(F)cccc2s1)[C@@H](c1cccnc1)N1CCOCC1 1529167746 NPTVDIHKRJNQST-MRXNPFEDSA-N 372.425 2.842 0 50 FFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704342444 CMFSFXRUAFSTBF-VNHYZAJKSA-N 357.429 2.531 0 50 FFAA CCCCSCc1cc(C(=O)N2CC[C@@](O)(CC)[C@@H](O)C2)oc1C 216377846 USBGMQOOGATXMR-WMZOPIPTSA-N 355.500 2.969 0 50 FFAA Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2ccco2)c1C(N)=O 1199985 VMPREHWEOFIKDY-VOTSOKGWSA-N 362.407 2.966 0 50 FFAA Cn1nccc1-n1nc(-c2ccccc2)nc1CCN1CCCCCC1=O 1772816681 YWXBMROMNGWVQU-UHFFFAOYSA-N 364.453 2.613 0 50 FFAA O=C(c1cc[nH]c1)N1CCCN(C(=O)C2(c3ccccc3F)CC2)CC1 1772702249 FJQWWYBZHQPPPE-UHFFFAOYSA-N 355.413 2.560 0 50 FFAA COCCCNc1nc2nonc2nc1N1CCCC[C@@H]1c1ccccn1 12075387 KJZREKHRXRBNCO-CQSZACIVSA-N 369.429 2.588 0 50 FFAA CCCNC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12208496 LZPZWSZYNWGEQL-IBGZPJMESA-N 365.424 2.899 0 50 FFAA Cc1cccc(OCC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 12405974 KWOGVVQNPJRZME-IBGZPJMESA-N 368.433 2.921 0 50 FFAA CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2cc(C)nn2CC)C1 12435395 MEZYHWKKTYVPRV-SFHVURJKSA-N 355.486 2.733 0 50 FFAA O=C(Nc1ccnn1C1CCN(CCCn2cccn2)CC1)C1CCCC1 15073127 LCFPWCLHGGOMOV-UHFFFAOYSA-N 370.501 2.936 0 50 FFAA COc1ccc(CN2CC(=O)N(Cc3ccccc3)C[C@H](OC)C2)c(F)c1 19850902 HQQDUQGNIHQVEZ-LJQANCHMSA-N 372.440 2.694 0 50 FFAA c1ccc2sc(N3CCCN(c4ncc5cn[nH]c5n4)CC3)nc2c1 1857679476 WGCRAAHSYAJIMN-UHFFFAOYSA-N 351.439 2.679 0 50 FFAA CC[C@@H](C(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1)N1CCCC1 1857696782 COYZJNLTJACPGT-IBGZPJMESA-N 366.509 2.889 0 50 FFAA O=C1COc2cc(N[C@@H]3CCN(c4ccccc4Cl)C3=O)ccc2N1 111372742 PJFLEHMYJTZRFF-CQSZACIVSA-N 357.797 2.888 0 50 FFAA COC1CCC(CC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)CC1 328615763 ZCSJHULMWYYTLH-NRXISQOPSA-N 351.447 2.688 0 50 FFAA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)OC1CCOCC1)CC2 377651010 MJFTWVDCVLLMGC-HNNXBMFYSA-N 365.499 2.745 0 50 FFAA CN(c1cccnn1)C1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1 159161222 MEJJQOKSEIPSBV-UHFFFAOYSA-N 363.421 2.873 0 50 FFAA CN(C(=O)c1ccc2nc[nH]c2c1F)C1CCN(CC(F)(F)F)CC1 909406803 SLCCXSLSRSRAKU-UHFFFAOYSA-N 358.339 2.801 0 50 FFAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)ccc1O 715112 UXMPTDXXFKSNDM-ZDUSSCGKSA-N 374.315 2.524 0 50 FFAA biogenic,in-vitro Cn1ccnc1[C@@H]1CCCCN1C(=O)CCc1ccc2c(n1)NCCC2 2325787713 RIKRHKICHBMIIM-KRWDZBQOSA-N 353.470 2.860 0 50 FFAA CN1CCN(C(=O)Cc2ccc3nsnc3c2)C[C@@H]1Cc1ccccc1 2325858468 OLRHITRFEDOBGG-KRWDZBQOSA-N 366.490 2.619 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2ccc(Cl)c(Br)c2C1 2325887868 INLSBUJAXKDBSA-UHFFFAOYSA-N 371.662 2.632 0 50 FFAA Cc1ccc(N2C(=O)/C(=C\N=c3cncc[nH]3)c3ccccc3C2=O)cc1 2332237328 PAMYQBAEDWMLAO-PDGQHHTCSA-N 356.385 2.847 0 50 FFAA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 674287 HHMYZWKUIUMNNF-UHFFFAOYSA-N 374.340 2.997 0 50 FFAA Cc1ccc2oc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2c1 1020411 QHMBPDQNNHMQTK-UHFFFAOYSA-N 358.419 2.627 0 50 FFAA CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 1075844 NLAQWMQFCGWOFF-UHFFFAOYSA-N 352.843 2.590 0 50 FFAA Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 1234916 UWZSTOPPNKCPOJ-MRXNPFEDSA-N 363.460 2.501 0 50 FFAA O=C(O)c1ccc(-c2nnn(Cc3cccc(Br)c3)n2)cc1 2861870 PIRUQGDYEAUFPB-UHFFFAOYSA-N 359.183 2.849 0 50 FFAA CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)cc2)C1=O 2863659 QPJOMWWCSAXXFS-CQSZACIVSA-N 361.295 2.507 0 50 FFAA CC1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 2891108 QNTQUSNIFNGELU-CYBMUJFWSA-N 358.891 2.753 0 50 FFAA CN(C(=O)CCc1nc(-c2ccccc2F)no1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356163883 VWMOTSAUNUHYGJ-NMWPEEMBSA-N 373.428 2.816 0 50 FFAA O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 113237485 ALNLOINPVKAZSD-UHFFFAOYSA-N 374.466 2.624 0 50 FFAA CN1CCC[C@@]2(CCCN(C(=O)C(C)(C)NC(=O)c3cccs3)C2)C1 55327585 KJTLHCSBEWZPSQ-LJQANCHMSA-N 363.527 2.591 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 10302268 UKFDBKKDNRZWPJ-SNVBAGLBSA-N 365.282 2.994 0 50 FFAA COCCn1cncc1CN1CCc2n[nH]c(-c3ccc(F)c(F)c3)c2C1 67688612 GXRKISZERZWBFG-UHFFFAOYSA-N 373.407 2.756 0 50 FFAA C[C@H](C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1)n1ccnc1 67886573 CZPXZSKTGVUTIL-CQSZACIVSA-N 364.405 2.633 0 50 FFAA CCN(C(=O)c1cc(CN2CCC(O)CC2)on1)[C@@H](C)c1ccccc1 67805257 SRLHKMXSLGKALA-HNNXBMFYSA-N 357.454 2.855 0 50 FFAA c1ccc(CCc2nc(-c3ncn[nH]3)n(-c3ccc4c(c3)OCO4)n2)cc1 67847722 DKIDWSNALIWWGP-UHFFFAOYSA-N 360.377 2.566 0 50 FFAA CC[C@@H]1CN(C(=O)c2ncoc2-c2ccc(C)cc2)CCN1CCOC 173807543 DZIKDSADMRPIIW-QGZVFWFLSA-N 357.454 2.833 0 50 FFAA COc1ccc(C(=O)CN2CCN(C(=O)CCC3CCCC3)CC2)cc1 35623494 XJEZMYGORTWRQP-UHFFFAOYSA-N 358.482 2.993 0 50 FFAA O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1nc2ncccn2n1 2808765 SQTUUZBVIKGOJB-UHFFFAOYSA-N 369.388 2.775 0 50 FFAA CN(C)[C@@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)c1ccccn1 72407770 FLUJTFUADWJWAN-KRWDZBQOSA-N 374.452 2.535 0 50 FFAA O=C(CC1CCCC1)NC1CCC(C(=O)Nc2cnccc2CO)CC1 180954148 JVNVATTZPWFATM-UHFFFAOYSA-N 359.470 2.768 0 50 FFAA CC(C)c1cccc(OCC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)c1 363491643 WAQJZPNCWUUDFW-YZGWKJHDSA-N 360.498 2.899 0 50 FFAA Cc1ccccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 219492934 UJAVGNJNEOAHKH-QZTJIDSGSA-N 360.479 2.875 0 50 FFAA CCOC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 35999936 CNCIUXNXQQGZJH-HXUWFJFHSA-N 366.461 2.572 0 50 FFAA Cn1cnc2c(C(=O)N3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccnc21 367759889 IJOSFEJIAUIZNJ-GOSISDBHSA-N 360.339 2.957 0 50 FFAA CC1=NN(c2ccc(C(=O)N3CCN(c4cccc(O)c4)CC3)cc2)CC1 127962737 INIOWRQJYKGUEZ-UHFFFAOYSA-N 364.449 2.941 0 50 FFAA O=C1CC[C@H](C(=O)N2CCCCO2)CN1CCc1ccc(Cl)cc1 12585199 MYFXOFMFSACBIF-HNNXBMFYSA-N 350.846 2.675 0 50 FFAA Nc1ccnc(N2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)n1 77338574 RGLNTJSIWKIHFD-OAQYLSRUSA-N 365.481 2.511 0 50 FFAA CC(C)CCOc1cccc(CCNC(=O)[C@@H]2CC3(CCNCC3)CN2)c1 72124183 WLVZOPAEECJZDT-FQEVSTJZSA-N 373.541 2.502 0 50 FFAA O=C(c1cnn([C@@H]2CCCNC2)c1)N1CCCCC[C@@H]1c1ccncc1 333871383 UQQMLYBNIYJJEG-RTBURBONSA-N 353.470 2.960 0 50 FFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCN([C@H]2CN3CCC2CC3)CC1 77337353 QPMIUKNEHHIIMO-KRWDZBQOSA-N 368.308 2.845 0 50 FFAA Cc1c(NC(=O)[C@H]2CC23CCNCC3)cccc1C(=O)N1CCSCC1 237824466 PZDJRZXQWDJYPU-MRXNPFEDSA-N 373.522 2.512 0 50 FFAA Cc1csc(S(=O)(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 77521795 WBTGWUGQXQFNTO-AWEZNQCLSA-N 356.513 2.612 0 50 FFAA CN(C(=O)c1ccncc1C(F)(F)F)[C@H]1CCCN(c2cccnn2)C1 285392004 DJXPJRJVOLLLMH-LBPRGKRZSA-N 365.359 2.631 0 50 FFAA CCCC1(NC(=O)c2cn3cc(-c4cc(C)oc4C)n(C)c(=O)c3n2)CC1 72431032 GGKNYJADIXODBC-UHFFFAOYSA-N 368.437 2.972 0 50 FFAA Cc1ccc(CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 71748405 AOFSQAIUEMWUKF-GOSISDBHSA-N 359.514 2.887 0 50 FFAA COc1ccc(OC2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)cc1 77355393 DMVDSZBLJPBOFU-IBGZPJMESA-N 363.454 2.651 0 50 FFAA Cc1cccc(N2CCC(NC(=O)[C@H]3CCCCN3C(=O)C3CC3)CC2)c1 223869285 RCQBZGNNOKWFAX-HXUWFJFHSA-N 369.509 2.871 0 50 FFAA COc1cccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)c1OC 225526048 XVMDAKSNSACCLV-UHFFFAOYSA-N 365.345 2.550 0 50 FFAA COc1ccccc1CCCNc1cc([C@H]2C[C@H](NC(C)=O)C2)ncn1 223544359 NXBOTVBFLZXIKP-CALCHBBNSA-N 354.454 2.912 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1-n1cccn1)CO2 195166380 ZDDROPLOTKXZRS-QGZVFWFLSA-N 363.417 2.748 0 50 FFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2-n2cncn2)C1 82155941 SNGMSKVIHVZRKY-SFHVURJKSA-N 374.444 2.931 0 50 FFAA C[C@H](CN1CCOCC1)NC(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426618382 QYEMBSRZWNDIBS-OAHLLOKOSA-N 364.449 2.680 0 50 FFAA Cc1ncsc1CCC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 82138347 OIQKKDRGUFXRNH-LLVKDONJSA-N 352.481 2.665 0 50 FFAA COc1ccc(C2(C(=O)NCCc3cnccn3)CCCC2)cc1OC 426689300 RECMHWDOOKEBHZ-UHFFFAOYSA-N 355.438 2.665 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)NC[C@H]3CCN(CC(C)C)C3)[nH]c2c1 426423198 ZJTYYJNGMLMOOJ-MRXNPFEDSA-N 357.502 2.991 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 91943056 XRPMDFOGQMIIOH-OAHLLOKOSA-N 359.470 2.800 0 50 FFAA COCCN(CCOc1ccccc1F)C(=O)c1cn2cccc(C)c2n1 97295224 LFTWBLHIOVFPSL-UHFFFAOYSA-N 371.412 2.949 0 50 FFAA CCCn1ncc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1C 92036889 OQCWUAVSCROXTD-CQSZACIVSA-N 360.845 2.790 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCO[C@@H](Cn2cccn2)C1 91624738 OJKAYWOQUNVRIK-MRXNPFEDSA-N 357.458 2.585 0 50 FFAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2ccccc2CN2CCOCC2)C1 96138959 GLOHPFWGLQVXRR-QGZVFWFLSA-N 372.513 2.609 0 50 FFAA CN1CCC(C2CCN(C(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1 95385408 WTOBOTFVKULURO-SFHVURJKSA-N 350.890 2.954 0 50 FFAA Cc1cc(O)nc(CCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)n1 426420731 NNHSPKNAUCFEQW-UHFFFAOYSA-N 368.359 2.894 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CCO1 238061992 WWDYDXPVBAPECM-LBPRGKRZSA-N 366.826 2.779 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2CN1C 95379457 FQVXTFWYQPVXDQ-HXUWFJFHSA-N 362.433 2.752 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H](N(C)C)[C@H](c3ccc(OC)cc3)C2)c1C 95354965 HDBXOARSSQIEMT-VQTJNVASSA-N 370.497 2.780 0 50 FFAA CCCCc1ncc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)[nH]1 91876930 LVRDKSODMHSITA-VQIMIIECSA-N 367.497 2.884 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)cc(=O)[nH]1 95388726 VDYSUHFBFUOBAJ-QGZVFWFLSA-N 363.417 2.774 0 50 FFAA Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)[nH]c2ccc(F)cc12 97813833 LHMLIAHSSDXWSH-GOSISDBHSA-N 365.408 2.799 0 50 FFAA COc1cccn(CC(=O)N(C)Cc2nc(-c3ccccc3)cs2)c1=O 95517048 HKZUIERVYIKGHD-UHFFFAOYSA-N 369.446 2.639 0 50 FFAA CN(C)C(=O)[C@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1ccccc1 91604728 ORWADUYOJDVXRO-GOSISDBHSA-N 366.396 2.775 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)NCCc1ccccc1)C2 91503999 FWOFUBXVRFJGPJ-RBUKOAKNSA-N 367.497 2.567 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)CCCC(C)=O)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95388119 GAAZUKYUQVQXCA-KSEOMHKRSA-N 370.493 2.843 0 50 FFAA COc1cc2nccc(N3CCC[C@H](c4nncn4C)C3)c2cc1OC 298257374 NXGWNFZJQNPWGA-ZDUSSCGKSA-N 353.426 2.765 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCCN(Cc2ccncc2)CC1 252495971 PDWYRLUZSTWMOF-UHFFFAOYSA-N 359.857 2.718 0 50 FFAA COc1cccc2c(C)c(C(=O)N(CCC(=O)O)C3CCOCC3)oc12 299753716 ZBVAPJBEPPLILZ-UHFFFAOYSA-N 361.394 2.846 0 50 FFAA COCC1CCN(C(=O)N[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 534652962 ZGCWGFONJSVFMR-ZDUSSCGKSA-N 374.441 2.874 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3cccn4cnnc34)C2)c1 299789561 ZONGUWMROFAPPG-HNNXBMFYSA-N 366.421 2.669 0 50 FFAA COCc1nc(CN2CCCCCC2)n(-c2ccc3c(c2)OCCO3)n1 824490842 UWMOFBZBDZVCIH-UHFFFAOYSA-N 358.442 2.561 0 50 FFAA Cc1[nH]ccc(=NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)c1Cl 867277878 IASWAYAAHDKMAW-SUMWQHHRSA-N 361.804 2.763 0 50 FFAA C[C@@H]1CCCCCCN1C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1875360821 JUBAZIJSCPWBGH-JLTOFOAXSA-N 372.469 2.605 0 50 FFAA C[C@@H](c1nnc2ccccn12)N1C(=O)N[C@@](C)(CC2=CCCCC2)C1=O 1875304540 NHZBHLFLLFXKEI-DJJJIMSYSA-N 353.426 2.991 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)N=c3nc(C4(C)CC4)[nH]s3)c2O1 1875317439 ZBWODPYYJRSIGT-UHFFFAOYSA-N 365.480 2.526 0 50 FFAA Cc1c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)cc(Cl)nc1Cl 1875369420 MXHWMTVYKKGJRE-MWLCHTKSSA-N 356.253 2.637 0 50 FFAA O=C(Cc1cc[nH]c1)N1CC[C@]2(CCCCN(C(=O)[C@@H]3CC34CC4)C2)C1 1875404931 CUNQQKPZAHQKCB-FXAWDEMLSA-N 355.482 2.589 0 50 FFAA CC1(C(=O)NC[C@@H]2C[C@]3(CCN(c4nc5ccccc5o4)C3)CO2)CC1 1875405198 ZLZWQECDSUXEPL-XOBRGWDASA-N 355.438 2.730 0 50 FFAA Cc1cc(N2CCC[C@](C)(NC(=O)[C@]34CCC[C@H]3C4(F)F)C2)ncn1 1875405919 ROOWUMDPVKCRGP-COXVUDFISA-N 350.413 2.696 0 50 FFAA CC1(C)CC(=O)N[C@H]1CNCc1cnn(-c2ccc(C(F)(F)F)cc2)c1 1875284055 MHAMRGKVNVSSRH-HNNXBMFYSA-N 366.387 2.895 0 50 FFAA O=C(O)COc1ccc(CNC[C@H](CO)Cc2ccc(Cl)cc2)cc1 1875270644 ZSTWADMGWVRWAW-MRXNPFEDSA-N 363.841 2.744 0 50 FFAA CCCOc1c(Cl)cccc1NC(=O)C[C@H]1C(=O)NCCN1C(C)C 952990946 YIEMOOKTMAKNQS-HNNXBMFYSA-N 367.877 2.666 0 50 FFAA CCc1nccn1CCC(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 952863017 UGCGUQXLEUGADO-INIZCTEOSA-N 363.483 2.507 0 50 FFAA CC(=O)N1C[C@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C(F)(F)F 886044841 AVVZZWIYPWCOHS-UKRRQHHQSA-N 358.360 2.514 0 50 FFAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cc2sccc2[nH]1 1565515645 DQXPDFUVVHLUCL-FZMZJTMJSA-N 363.464 2.790 0 50 FFAA C[C@H](NC(=O)C1CCN(C2CCCCC2)CC1)[C@H](O)c1ccc(O)cc1 1565512542 RXXLDAOAELXKAP-YWZLYKJASA-N 360.498 2.975 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1ccon1)CC2 275492029 AOHODVOJJILUTL-INIZCTEOSA-N 359.451 2.780 0 50 FFAA CN(C)c1ncc(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)cn1 278570825 BZPIYPDRSLSQGS-LBPRGKRZSA-N 354.380 2.664 0 50 FFAA Cn1c(CNC(=O)N2CCC[C@H]2CN2CCCCC2)nc2ccccc21 171594705 MJOOIDSFDMEDFK-INIZCTEOSA-N 355.486 2.733 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)N1CCC[C@H]1CN1CCCC1 171655709 XSSNIHKSARZTNH-FQEVSTJZSA-N 356.514 2.925 0 50 FFAA COc1cc2nc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)nc(N)c2cc1OC 301831911 SZYPLYBIDDVONG-UHNFBRDESA-N 356.426 2.599 0 50 FFAA O=C(NCCn1cnc2ccccc21)c1cnn(-c2ccc(Cl)cc2)n1 751780700 DFNPYQHZNYBOBR-UHFFFAOYSA-N 366.812 2.700 0 50 FFAA CCCOc1c(Br)cc(C(=O)N2CCC[C@@H](N)C2)cc1OC 191333100 SIBPBUCCZBNKPP-GFCCVEGCSA-N 371.275 2.810 0 50 FFAA O=C(CCc1cccc(OC2CCCC2)c1)N1CCOC[C@@]12CCOC2 194443361 CGCRNWWCQZWICG-NRFANRHFSA-N 359.466 2.959 0 50 FFAA C[C@@H](Cc1cccc(O)c1)NC(=O)Nc1ccn(Cc2ccccn2)n1 743171788 NUKRTXZUTWVZAA-AWEZNQCLSA-N 351.410 2.785 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)c3cccc4nccnc34)[nH]c2c1 1506421966 MGEXGHSQRUOXAW-UHFFFAOYSA-N 361.405 2.829 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CC(=O)OC12CCCCC2 1506416456 BNQUJPFGRZVVAJ-ZDUSSCGKSA-N 359.401 2.926 0 50 FFAA COc1ccnc(C(=O)N2CCCN(C/C=C/c3ccccc3)CC2)c1 1529111367 WBCOSHOCPRNJJS-WEVVVXLNSA-N 351.450 2.952 0 50 FFAA COc1cc(CCC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)ccc1C 1615964941 SDUUHSPOSBQLBX-OALUTQOASA-N 354.450 2.705 0 50 FFAA CN(C)c1nc2c(c(N3CCC(c4ccnc(O)c4)CC3)n1)CCCC2 1772815820 YSCALJNCOUWEBB-UHFFFAOYSA-N 353.470 2.906 0 50 FFAA CN1CCOC2(CCN(c3nc(-c4ccccc4)ccc3C(=O)O)CC2)C1 1772819317 ITNDSWDGJMTDOL-UHFFFAOYSA-N 367.449 2.748 0 50 FFAA O=C(CC1CCCC1)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 12385278 HLBLBUKYUXNTCJ-GOSISDBHSA-N 372.513 2.759 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(CC2CCCCC2)C1 12581441 YNWIDAMWJZVTTF-KRWDZBQOSA-N 372.465 2.645 0 50 FFAA CCOC1CCN(C(=O)[C@]2(CC)C[C@@H]3CC[C@H]2N3C(=O)C2CCC2)CC1 1857710639 IIIIXYRGTADGAH-YRISNDGFSA-N 362.514 2.974 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(c3cccc(C(F)(F)F)n3)C[C@]23CC[C@H]1O3 1857737888 HYIAKKPQNYBILA-SFDCBXKLSA-N 369.387 2.610 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(c3cnc4ccccc4n3)C2)N1Cc1ccccn1 212992373 IBHQLXNGGZRWFM-WBVHZDCISA-N 359.433 2.652 0 50 FFAA C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC2(CCCC2)c2c(F)cccc21 408032592 ZFSIEMYUARQTLL-GJZGRUSLSA-N 373.472 2.570 0 50 FFAA CN(c1ccccc1)c1ccccc1C(=O)N1CCO[C@H](CC(=O)O)C1 237064393 NKHLRHMDDMQMEJ-MRXNPFEDSA-N 354.406 2.770 0 50 FFAA CC[C@@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCN1CC(F)F 153525190 BVXFXLGNPHTTKI-GFCCVEGCSA-N 370.831 2.738 0 50 FFAA Cn1c(CCN2CCOc3cc(C(=O)O)ccc3C2)nc2ccccc21 903957190 NENDSVXTCRZYLT-UHFFFAOYSA-N 351.406 2.709 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c2cccc(Cl)c2n1 1704329239 OYNGKWLPIKMCQM-KBPBESRZSA-N 359.857 2.599 0 50 FFAA O=C1C[C@H](c2nnc3n2Cc2ccccc2CC3)CN1Cc1ccccc1 2100557693 ZUYOSVHITAWWGS-IBGZPJMESA-N 358.445 2.941 0 50 FFAA O=C(CCN1CCC[C@H]([C@@]23CC[C@@H]2CCN3)C1)N1CCc2sccc2C1 2325765194 XRMLJFIJUMJMJQ-LVCYWYKZSA-N 373.566 2.877 0 50 FFAA O=C(CN1CCO[C@@H](c2cccc3ccccc23)C1)NCc1ccccn1 2325772041 OZBFKHCODVPTRH-OAQYLSRUSA-N 361.445 2.925 0 50 FFAA N[C@H](Cc1coc2ccccc12)C(=O)Nc1ccc(N2CCCC2)nc1 2325780144 KDFLSRAOAPGXRV-QGZVFWFLSA-N 350.422 2.937 0 50 FFAA O=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc(Br)c1 2325788130 NRZMSZGJWNHEOT-UHFFFAOYSA-N 350.216 2.849 0 50 FFAA CC(C)C(=O)NC[C@@H](C)CN=c1[nH]c2cccc(Br)c2o1 2325867882 IIHYIUFKBIRAMJ-SNVBAGLBSA-N 354.248 2.832 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)C1 2325889145 BJGYPRHWASDORA-OLZOCXBDSA-N 368.886 2.726 0 50 FFAA COc1cc2c(cc1OC)C(=O)C1(C2)Cc2cc(OC)c(OC)cc2C1=O 636226 NOQQLBRGYGLVFQ-UHFFFAOYSA-N 368.385 2.885 0 50 FFAA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 800957 JMDUBVISIWRTHN-UHFFFAOYSA-N 368.418 2.838 0 50 FFAA COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O 900145 MHXCIKYXNYCMHY-SXGZJXTBSA-N 360.406 2.654 0 50 FFAA biogenic,in-vitro CC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 1212291 JSTDOPWQUVHKDA-NSHDSACASA-N 351.122 2.922 0 50 FFAA O=C(COc1ccccc1-c1ocnc1CC1CC1)NC[C@@H]1CCCO1 2356156480 DHYJZPDSWQYPKV-HNNXBMFYSA-N 356.422 2.968 0 50 FFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cnc(-c4ccncc4)nc3)C[C@H]21 2356169228 XJLKBNGTWQPBDV-VPWXQRGCSA-N 352.438 2.552 0 50 FFAA CN(C)c1ccc(N2C(=O)C[C@@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4335125 PBJXEXFOESKBCA-FRXJQHJJSA-N 367.493 2.943 0 50 FFAA O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2cccs2)CC1 4880076 BXWLGGIDZNMDRG-UHFFFAOYSA-N 368.455 2.927 0 50 FFAA COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1 55565708 YAXPFEBMOIXTOU-UHFFFAOYSA-N 357.429 2.903 0 50 FFAA CCn1ncc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)c(C)nc21 423657846 WRXUILKYUCQHEZ-UHFFFAOYSA-N 353.401 2.797 0 50 FFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCC[C@@H]1c1ccccn1 55522643 GROFQTQQIBPLJV-LJQANCHMSA-N 362.433 2.935 0 50 FFAA O=C([C@@H]1CCc2ccccc2O1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 20166673 TVTIIWDAMPBCLS-ICSRJNTNSA-N 360.417 2.673 0 50 FFAA COc1ncc(C(=O)NCc2cccnc2Oc2ccccc2F)cn1 67843380 TWLNFFMYXPYQDP-UHFFFAOYSA-N 354.341 2.742 0 50 FFAA OCCc1cn(C2CCN(c3ccc4cc(Cl)ccc4n3)CC2)nn1 20234680 BHNDYLILZAAWQH-UHFFFAOYSA-N 357.845 2.856 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCC(=O)Nc3nccs3)c2c1 67821382 HTFRHGXMZKUBRI-UHFFFAOYSA-N 356.451 2.847 0 50 FFAA O=C(c1cc2ccccc2cc1O)N1N=C(C(F)F)C[C@]1(O)C(F)F 4179028 HLIGDRDATCRKIY-INIZCTEOSA-N 356.275 2.966 0 50 FFAA CN1CCC2(CCN(S(=O)(=O)c3ccc(-c4cnco4)s3)CC2)C1 65395127 JUACIFXWSKECGX-UHFFFAOYSA-N 367.496 2.510 0 50 FFAA Cc1nccc(-c2cnn(CC(=O)Nc3ccn(Cc4ccccc4)n3)c2)n1 63846567 YVBLKVGCVAFDLK-UHFFFAOYSA-N 373.420 2.532 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@H]([C@H]2CCOC2)C1 333047389 GJSJGNUULFPIFW-GJZGRUSLSA-N 358.467 2.773 0 50 FFAA CCCc1c(C(=O)NCCc2cccc(C(=O)NC)c2)[nH]c(C)c1C(C)=O 122034032 WPNDRUVVJLCGFY-UHFFFAOYSA-N 369.465 2.810 0 50 FFAA Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)c2cccnc12 252452689 WNIGDLLABLACMP-CVEARBPZSA-N 368.481 2.861 0 50 FFAA O=C1NC[C@@H](c2ccc(F)cc2)Cc2[nH]c(-c3ccc(CO)cc3)nc21 65489986 HYFHKOBFCINZTO-HNNXBMFYSA-N 351.381 2.778 0 50 FFAA O=Cc1cccc(OCC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1 123445483 RLAPJKZCAXDQIZ-OAQYLSRUSA-N 353.418 2.850 0 50 FFAA COc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@H](C)c3nnn[nH]3)c2c1 124244758 VBZRJHOPKHLIKY-NSHDSACASA-N 366.425 2.510 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2)CN1C(C)C 32513714 VEVRDMLUMDINAR-HOTGVXAUSA-N 357.420 2.782 0 50 FFAA Cc1ccc(CN(CCCO)C[C@]2(O)CCCN3CCCC[C@@H]32)s1 63855954 LBKLWYULBLCCBT-RTBURBONSA-N 352.544 2.620 0 50 FFAA CC(C)N1CCC(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)CC1 67675222 OVOHWOHBEVNELG-KRWDZBQOSA-N 369.513 2.613 0 50 FFAA CC(C)CNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 2732665 SRHZIOFZDZYURX-UHFFFAOYSA-N 371.462 2.902 0 50 FFAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 253419045 QVJHJIPFQBNTIR-NMLBUPMWSA-N 370.493 2.841 0 50 FFAA NC(=O)Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21 4626570 OHVZPABYOJGHSR-UHFFFAOYSA-N 373.338 2.938 0 50 FFAA O=C(c1cnn([C@H]2CCCNC2)c1)N1CCCCC[C@H]1c1ccncc1 333871380 UQQMLYBNIYJJEG-OALUTQOASA-N 353.470 2.960 0 50 FFAA CC(=O)N1CCc2cc(C(=O)N[C@H](CC(=O)O)c3ccccc3C)ccc21 236591833 CTVSXCSSAYEFFY-GOSISDBHSA-N 366.417 2.850 0 50 FFAA CCn1cnnc1[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccn3n2)C1 367387769 IEXVPUIPOYPGAY-LBPRGKRZSA-N 358.833 2.619 0 50 FFAA Cc1ccnn1CC(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215056234 CBLNTLPETSBVQP-UHFFFAOYSA-N 355.829 2.820 0 50 FFAA NC[C@H]1CCC[C@@H]1NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 158005708 WZRSDGJCMKNYIZ-CJNGLKHVSA-N 367.478 2.853 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1ccccc1-n1cccn1)C2 76140115 PRNNAQRTANXTCB-QGZVFWFLSA-N 363.417 2.748 0 50 FFAA CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1 73305989 ZDAMCFCCXBMKCC-UHFFFAOYSA-N 366.343 2.853 0 50 FFAA Cn1nnnc1SCCn1ccnc1-c1ccc(C(F)(F)F)cc1 71639692 HJSQJXJVVVVDFT-UHFFFAOYSA-N 354.361 2.885 0 50 FFAA CCOCC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)CC1 77406809 FWDFDDJMYBVCOL-LJQANCHMSA-N 374.481 2.634 0 50 FFAA CN(C)C[C@]1(O)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 72144392 JSYGYUDFGIJPQT-KRWDZBQOSA-N 358.404 2.553 0 50 FFAA CCOCCOc1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 77406943 QVTLODCSZUZZOQ-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)N1CC[C@@H]2CCCC[C@H]2C1 245263526 AMZVZILIFOEPQD-HRCADAONSA-N 370.449 2.807 0 50 FFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NC1CCCC1 72151464 DQNSSSXQUKLMMW-HXUWFJFHSA-N 365.477 2.589 0 50 FFAA COCCc1nsc(NCc2ccc(Cn3ccccc3=O)cc2)n1 176844075 APJJIQRODYEQQX-UHFFFAOYSA-N 356.451 2.549 0 50 FFAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)CC2 292516201 FFZQXLUHMSXFJK-KSSFIOAISA-N 364.511 2.873 0 50 FFAA O=C(COc1ccc(F)c(Cl)c1)N[C@@H]1COCC[C@@H]1OCC1CC1 223265288 DQNXCYQOJBUOLZ-CVEARBPZSA-N 357.809 2.558 0 50 FFAA CCN=c1cc[nH]c(-c2ccc(C(=O)NCCc3ccc(C)o3)cc2)n1 426507818 BSPJECWMKVYNDG-UHFFFAOYSA-N 350.422 2.871 0 50 FFAA O=C(c1cc2ncccn2n1)N1CCC(c2nccn2CC2CCC2)CC1 95516693 DKZLBFMMZHCSGM-UHFFFAOYSA-N 364.453 2.746 0 50 FFAA C[C@H]1CCC[C@@H](C)N1CC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 91593686 AHQMLFHREANENY-IYBDPMFKSA-N 370.497 2.675 0 50 FFAA CS(=O)(=O)N1CCCC[C@H]1CCNC(=O)Nc1ccccc1C1CC1 96161019 JCSVKLCEXSOLIV-HNNXBMFYSA-N 365.499 2.890 0 50 FFAA Cc1nonc1CN1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 92046549 NYSZVLUDSKNPMT-UHFFFAOYSA-N 368.481 2.825 0 50 FFAA O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@@]2(CCOC2)C1 91644394 PHVWUKAYTJIOHH-LJQANCHMSA-N 363.479 2.969 0 50 FFAA Cc1ccc(OCC(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 91808335 IUEUDRJWNQSOQU-FUHWJXTLSA-N 356.466 2.623 0 50 FFAA NC(=O)c1cc(NC(=O)N2CCCC[C@H]2CCn2cccn2)ccc1F 426359626 MZJASSOOFQRCMR-AWEZNQCLSA-N 359.405 2.598 0 50 FFAA Cc1ccc(-c2cccc(CN3CCC4(CC3)N=C(N(C)C)NC4=O)c2)o1 97527909 OULQTIHMHVCDAJ-UHFFFAOYSA-N 366.465 2.637 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC(OC)CC2)c1 91830876 XILKYUWFXKBVJY-UHFFFAOYSA-N 361.438 2.903 0 50 FFAA COc1ccnc(N2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)n1 91381433 REUILXKFXQVFSN-UHFFFAOYSA-N 366.465 2.894 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)NCCc2cccc(Oc3ccccc3)c2)C1 91551430 XYFYQECLDHXKAN-KRWDZBQOSA-N 367.449 2.928 0 50 FFAA COCCCC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 23191801 CHQPHDSGPPAXOS-RTWAWAEBSA-N 358.526 2.862 0 50 FFAA Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C)c1Br 230513712 PHNIWCFUZACFMK-LBPRGKRZSA-N 362.289 2.832 0 50 FFAA COc1ccc(-n2nc(C(=O)N3CC[C@H](N)C3)cc2-c2ccccc2)cc1 96166896 GORDBGSYDGQELM-INIZCTEOSA-N 362.433 2.721 0 50 FFAA O=C(Cc1cccnc1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91943301 PPLBNXMACCVGBE-IBGZPJMESA-N 361.449 2.670 0 50 FFAA COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1C 95379351 GBGKXUQRXOKNIO-GOSISDBHSA-N 370.497 2.782 0 50 FFAA O=C(CCC1CCN(c2cnc3ccccc3n2)CC1)NC[C@@H]1CCCO1 95526640 SDSGEORFPCEVIJ-KRWDZBQOSA-N 368.481 2.922 0 50 FFAA Nc1nc(NCCCN2CCCc3ccccc32)cc([C@H]2C[C@@H](O)C2)n1 244659582 HFEXGVLHLIXMMY-IYBDPMFKSA-N 353.470 2.552 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1OCc1ccncc1 299743350 KLGMPOIUOKVIQH-MRXNPFEDSA-N 370.405 2.749 0 50 FFAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cnc(O)c(Cl)c1 253534948 ZDBBTUAMCDGYQA-HACGYAERSA-N 374.824 2.618 0 50 FFAA CCn1cc(CNC(=O)N2CC[C@H](c3cc(OC)ccc3OC)C2)c(C)n1 534629991 XILSNEVQVIYSHP-HNNXBMFYSA-N 372.469 2.928 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)NCCc3nc4ccc(F)cc4[nH]3)C2)n1 534582535 FDCIHIVWIFSZDL-OAHLLOKOSA-N 370.432 2.714 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)Nc1ccc(-c2nncn2C)cc1 299794284 JNWOXLBANANNBX-UHFFFAOYSA-N 353.430 2.528 0 50 FFAA CC(C)S(=O)(=O)NCc1nc(N2CCCC2)c2cc(Cl)ccc2n1 299757164 IMRQTWQWBLZNIN-UHFFFAOYSA-N 368.890 2.711 0 50 FFAA O=C(c1ccc(-c2n[nH]c(Cc3cccs3)n2)cc1)N1CCOCC1 828159420 QXGGQOJELBOGSM-UHFFFAOYSA-N 354.435 2.596 0 50 FFAA C[C@@H](NC(=O)N1CCC(N2CCOCC2)CC1)c1ccc(F)cc1F 826573299 ZFCLRGKZADRVIE-CYBMUJFWSA-N 353.413 2.532 0 50 FFAA O=C(NC[C@H]1COC2(CCCC2)O1)Nc1cnn(Cc2ccccc2)c1 271479279 ABYRHHMGKOYZBQ-KRWDZBQOSA-N 356.426 2.739 0 50 FFAA Cc1noc(CCCC(=O)N2CCC3(CC2)Cc2ccccc2NC3=O)n1 1875297299 JSULJNPKDBFWFR-UHFFFAOYSA-N 368.437 2.504 0 50 FFAA Cc1ccc(N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 1875260714 SOFRIVFOFGPUCG-KRWDZBQOSA-N 360.502 2.912 0 50 FFAA COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(Cl)nc(Cl)c1C 1875369206 ACBLUTNBCOREHC-LBPRGKRZSA-N 368.220 2.606 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2ccccc2OC(F)(F)F)CC1 1875365611 GDTVIZHQUJOFGI-UHFFFAOYSA-N 356.344 2.626 0 50 FFAA CC(C)n1ncc2cc(C(=O)N(C)Cc3noc(C(F)(F)F)n3)cnc21 1875312544 NZJMUTPKFMOWAH-UHFFFAOYSA-N 368.319 2.686 0 50 FFAA CC(C)Cc1cc(C(=O)NCCCN2CCCc3ccccc32)nc(O)n1 952989170 SXHXOLMIMVYUHC-UHFFFAOYSA-N 368.481 2.953 0 50 FFAA c1ccc(C23CN4CCN(CC(C4)[C@@H]2NCc2cccc4cc[nH]c24)C3)cc1 952868559 AHZVEYDGYMWPJJ-GWHCDVRWSA-N 372.516 2.825 0 50 FFAA CCc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ncccc3C(F)(F)F)C2)n[nH]1 888098068 YSNUUXCYYONLFX-HOSYDEDBSA-N 355.364 2.748 0 50 FFAA C[C@@H](C(=O)NCc1ccccc1F)N1CC[C@H](CNc2ccccn2)C1 171642680 AIGYWSHSLOTRDB-JKSUJKDBSA-N 356.445 2.659 0 50 FFAA Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)nc2ccccc12 195376217 ILXCVHITIBAWGY-QGZVFWFLSA-N 355.463 2.681 0 50 FFAA CCCC[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@@H](C2CC2)O1 1615737142 BECOWMGSABKIDT-YJBOKZPZSA-N 358.438 2.827 0 50 FFAA C[C@H](C(=O)N1CCCN(C(=O)CCc2ccncc2)CC1)c1ccccc1 1772700928 GOASTGGHHGFIFF-SFHVURJKSA-N 365.477 2.879 0 50 FFAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)c1 11817179 OYPXPBDOAHOKKC-GOSISDBHSA-N 374.481 2.923 0 50 FFAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc[n+]([O-])c2)c1C 11843084 LWUUNFCHIPESIR-GOSISDBHSA-N 362.433 2.930 0 50 FFAA O=C1C[C@@H](NCc2ccc3c(c2)OCCO3)CN1CCc1ccc(F)cc1 12716071 MNJOEFBODMZVCF-GOSISDBHSA-N 370.424 2.530 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1 19300756 OOEYDUPMSXTZET-JOCHJYFZSA-N 371.525 2.604 0 50 FFAA CN1CC[C@H](N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)C1 19334144 ZUGRRWTVPYKOMI-AWEZNQCLSA-N 358.442 2.978 0 50 FFAA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1Cc1cccc2c1CCOC2 1857527479 VAEDQSIIXBFLPC-ROUUACIJSA-N 354.454 2.567 0 50 FFAA CC[C@@]1(C(=O)NCCc2nccs2)C[C@@H]2CC[C@H]1N2C(=O)c1ccco1 1857671827 RXZGZBASFCPFCL-ZBQZNYHESA-N 373.478 2.868 0 50 FFAA C[C@@]1(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC12CCNCC2 1857683871 PFCCGJOWKGFALI-NRFANRHFSA-N 364.493 2.784 0 50 FFAA O[C@@H]1CN(Cc2nc(-c3ccccc3Cl)no2)C[C@H]1Cc1ccccn1 1875245183 NXQYPZDTJYDCEK-CXAGYDPISA-N 370.840 2.820 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)CN2CC(=O)Nc1ccccc1 216181512 YFGZQDGLQMSNOG-MJGOQNOKSA-N 368.481 2.826 0 50 FFAA c1ccc(-c2n[nH]c(C3CCN(Cc4cn5cccnc5n4)CC3)n2)cc1 263885657 PFIIHSVWYXUWOS-UHFFFAOYSA-N 359.437 2.894 0 50 FFAA COc1cc(CCC(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)ccc1C 1704298923 LIGXGATUGKRXRM-HXUWFJFHSA-N 361.482 2.859 0 50 FFAA Cc1cccc(CONC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1 825565930 MRZUIJLEXPBNAH-UHFFFAOYSA-N 368.359 2.732 0 50 FFAA COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)ccc1O 12446780 OHXGOPJHAOUIKZ-RQZCQDPDSA-N 352.415 2.788 0 50 FFAA O=C1COc2ccc(CN[C@H](CC3CCCCC3)[C@H]3COCCO3)cc2N1 2325754561 RIRWEYGYNSPTRB-YLJYHZDGSA-N 374.481 2.862 0 50 FFAA CN(C)Cc1cccc(C(=O)N2CCN(c3cccc4nc[nH]c34)CC2)c1 2325781451 PZYWTDCUFSLJEG-UHFFFAOYSA-N 363.465 2.587 0 50 FFAA CC(C)(CCS(=O)(=O)N1CCC[C@]2(C)CCCC[C@H]12)S(C)(=O)=O 2325782971 PYZITPPLOCVGEZ-HOCLYGCPSA-N 365.561 2.574 0 50 FFAA Cn1c(O)nc2c(C(=O)N3CCC(c4ccccc4CN)CC3)cccc21 2325801577 NWLOHSQVPGIVKD-UHFFFAOYSA-N 364.449 2.757 0 50 FFAA Cc1cccc(CN2CC[C@@H](NC(=O)c3cncc4c(O)nccc34)C2)c1 2325804769 OJNWDVHDHLDOAZ-MRXNPFEDSA-N 362.433 2.648 0 50 FFAA Cn1c(=O)oc2ccc(Cn3nc(-c4ccc(F)cc4)ccc3=O)cc21 2325854866 ZDXFTXBRURWNPA-UHFFFAOYSA-N 351.337 2.543 0 50 FFAA Cc1nc(C)n(C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)n1 811863 TVHOZRUXNBWNSP-SFHVURJKSA-N 351.406 2.566 0 50 FFAA COCCn1cncc1CNc1nccc(-c2ccc(N(C)C)cc2)n1 2356151548 NBQWILORLILJPJ-UHFFFAOYSA-N 352.442 2.665 0 50 FFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCC(OC(F)(F)F)CC1 2356154801 KIEYYSDDOXPSFB-HNNXBMFYSA-N 357.376 2.746 0 50 FFAA Nc1cc(=O)[nH]c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 10861765 HIYZHWIKZDIRTG-KRWDZBQOSA-N 366.446 2.502 0 50 FFAA Cc1cccc(NC(=O)CN2CCCN(C(=O)c3ccoc3)CC2)c1C 55059811 KLCBPNFRIYPGKE-UHFFFAOYSA-N 355.438 2.683 0 50 FFAA Clc1cccc(N2CCN([C@H]3CCCN(Cc4cc[nH]n4)C3)CC2)c1 20271961 WBLXJWXXEZMMGA-IBGZPJMESA-N 359.905 2.850 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)CC2=CSC3=NCCN23)C1 101773840 OWGRPYVAQQDIPF-GOSISDBHSA-N 363.483 2.686 0 50 FFAA CCCN1CC(=O)N(CC2CCOCC2)C[C@H](OCc2ccccc2)C1 20861771 ZCZJYKKPAJYRLU-HXUWFJFHSA-N 360.498 2.553 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 794641 XMSLPTJAWDQIRU-IAGOWNOFSA-N 356.422 2.918 0 50 FFAA O=C(NC[C@@H]1CCC[C@@H](O)C1)NC1CCN(CCc2ccccc2)CC1 173740772 ZQXMAFXISVZCKY-UYAOXDASSA-N 359.514 2.544 0 50 FFAA O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1nccn1-c1ccccc1 253426439 VARAHHSORDKREG-JOCHJYFZSA-N 372.428 2.852 0 50 FFAA C[C@@H](NC(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 253432681 MQDADZGFFDENIW-MNOVXSKESA-N 362.854 2.616 0 50 FFAA c1cnn(Cc2ccc(CN3CCN(C4CCSCC4)CC3)cc2)c1 216074270 ORWKFQQVNMVGPB-UHFFFAOYSA-N 356.539 2.945 0 50 FFAA O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1C[C@H]2[C@H](O)CC[C@H]2C1 329763271 UIBAWUZCMUPZDK-QXAKKESOSA-N 374.444 2.777 0 50 FFAA C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCCS4(=O)=O)cc3c2C1 154377486 ZPXWAPSJGABMSM-JSGCOSHPSA-N 360.479 2.600 0 50 FFAA Cc1cccc(NC[C@H]2CCCN2C(=O)c2cnc3n[nH]c(C)c3c2)n1 364253650 WWFQGFSVDLYQCP-OAHLLOKOSA-N 350.426 2.686 0 50 FFAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1CCN(c2cnccn2)CC1 154898003 PDWLWJWZYJJGPA-CQSZACIVSA-N 370.501 2.830 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(CCO)Cc2ccc(C)cc2)cn1 216226393 VKQHOKICLNVEKZ-UHFFFAOYSA-N 365.433 2.824 0 50 FFAA COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H](C(=O)O)C3)ccc21 237133626 DNJRURBMFYDANP-INIZCTEOSA-N 358.438 2.841 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCOCC1 72453466 OCHMTNINEKZJTE-CYBMUJFWSA-N 352.862 2.619 0 50 FFAA CN1C[C@H](CC(=O)N2CCCCC2)Oc2ccc(C(=O)N3CCCC3)cc21 77520343 MZULBTSQLJYARA-KRWDZBQOSA-N 371.481 2.522 0 50 FFAA O=C(Nc1ccc2[nH]nc(C(=O)O)c2c1)c1ccn(-c2ccccc2F)n1 237976801 RHVFALHWHADZBN-UHFFFAOYSA-N 365.324 2.838 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCN(Cc3cccnc3)CC2)c1 72457501 RHYMSUHBOQALOM-UHFFFAOYSA-N 367.493 2.743 0 50 FFAA Cc1ccc2c(c1)c(C(=O)N1CCN(Cc3cccc(F)c3)CC1)nn2C 72432316 OJOWMVGEYJCHBN-UHFFFAOYSA-N 366.440 2.979 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772458 OYPPJMLKAYYWHH-YHMVMEQCSA-N 368.470 2.545 0 50 FFAA in-vitro COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2F)n1 289166699 RLNCRXLTKBPXKZ-AWEZNQCLSA-N 350.369 2.526 0 50 FFAA NC(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 290691202 PVAADUKHEGRDRS-OAHLLOKOSA-N 354.410 2.803 0 50 FFAA CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 266043925 BRERAECDZKMDEI-KBXCAEBGSA-N 361.438 2.980 0 50 FFAA Cc1nc(NCCNC(=O)c2ccccc2F)cc(-n2cnc(C)c2C)n1 82230548 IRLQBASMVZLVAP-UHFFFAOYSA-N 368.416 2.569 0 50 FFAA Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc3c(c2)CCCO3)CC1 82161430 BLYRAILVSCEDAO-SFHVURJKSA-N 368.481 2.530 0 50 FFAA COc1ccc2[nH]c(CNC(=O)CCN3Cc4ccccc4C3=O)cc2c1 223267743 LQHRGCPLTOPCGM-UHFFFAOYSA-N 363.417 2.839 0 50 FFAA CC(C)N1CCC2(CC[C@@H](CNC(=O)CSc3ccncc3)O2)CC1 426563522 TUVNIAZTYXRKIQ-INIZCTEOSA-N 363.527 2.712 0 50 FFAA COC[C@H](NC(=O)c1ccc(-c2ncccc2OC)cc1)c1ccnn1C 426544882 CRRJMUMCZUKPOG-INIZCTEOSA-N 366.421 2.608 0 50 FFAA C[C@H](NC(=O)CN1CCC2(CCC(=O)N(C3CC3)C2)CC1)c1ccccc1 91694083 IOYDTFMPLLVGQJ-KRWDZBQOSA-N 369.509 2.731 0 50 FFAA O=C(O)c1cc2c(nc1N1CC[C@@]3(CCCN(CC4CC4)C3)C1)CCC2 426428765 KIJIMCXABPWNJK-OAQYLSRUSA-N 355.482 2.971 0 50 FFAA CN(C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O)c1ccccc1 91462054 ADEOKGPOABLDIU-WMLDXEAASA-N 370.478 2.822 0 50 FFAA CCCn1ccnc1-c1nc2c([nH]1)C[C@@H](c1ccccc1OC)CNC2=O 95503210 OFHBQSJGKUUSES-CYBMUJFWSA-N 365.437 2.762 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)c1ccc([C@@H]2CCCN2)s1 23366973 IVNVPASPLVPXCV-KRWDZBQOSA-N 355.507 2.961 0 50 FFAA O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1cccc2nccnc12 97402585 UOOQUXURRKXRNT-IBGZPJMESA-N 361.449 2.982 0 50 FFAA NC(=O)N1CCC[C@H](C(=O)NCCCSCc2ccc(Cl)cc2)C1 96147868 QOLBMSAGHFIOGV-AWEZNQCLSA-N 369.918 2.870 0 50 FFAA CCCc1ccc(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)cc1 91943475 LBMUOFWMXVAKCY-OAQYLSRUSA-N 358.482 2.740 0 50 FFAA O=C(Nc1ccc2[nH]ncc2c1)N1CCCN(Cc2cccnc2)CC1 95511285 YACIGJAYSUCZQX-UHFFFAOYSA-N 350.426 2.698 0 50 FFAA CC1(C)SC[C@@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)NC1=O 95387559 IEDBVZBQCFKNMZ-INIZCTEOSA-N 364.486 2.617 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCc2cccs2)c(=O)n1 95384727 YBNVMYKMFVCAFJ-MRXNPFEDSA-N 359.495 2.936 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)CN1C[C@H](c2ccccc2)CC1=O 95500992 WSXMUXWILLNREH-MRXNPFEDSA-N 353.422 2.527 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1CCN2CCCC[C@H]2C1 244774272 PRBKSLPPRQIPQQ-HNNXBMFYSA-N 351.878 2.847 0 50 FFAA CC(=O)Nc1cccc(NC(=O)CCN2CCN(C3CCCCC3)CC2)c1 244718841 LRVDVUNBALWBGY-UHFFFAOYSA-N 372.513 2.924 0 50 FFAA O=C(c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12)N1CCCCC1 263616990 LNGPORGHKLYZII-UHFFFAOYSA-N 357.801 2.776 0 50 FFAA C[C@H](CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)N1CCCC1 534642972 AQQJEKDKDRMSSK-QGZVFWFLSA-N 368.481 2.983 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1 299789980 AFKXTYGFVWNRKK-LBPRGKRZSA-N 369.391 2.640 0 50 FFAA CCCC[C@@H]1CN(CCNC(=O)/C=C/c2c[nH]cn2)Cc2ccccc2O1 299771719 XBFXFVMBRLZOIH-JBVUFVISSA-N 368.481 2.993 0 50 FFAA COc1ccccc1OCC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 824828124 ZEXBTNZALNLNCF-UHFFFAOYSA-N 371.437 2.521 0 50 FFAA COc1cccc2c1OC[C@H](NC(=O)CCc1nc3ccc(F)cc3[nH]1)C2 824804787 MHZIZXYCUURHRE-CQSZACIVSA-N 369.396 2.763 0 50 FFAA CS(=O)(=O)c1ccc(CC(=O)NCCCn2ccc3ccccc32)cc1 670460402 TUVFZWBRLFTVON-UHFFFAOYSA-N 370.474 2.794 0 50 FFAA O=C(OCC(=O)N1CCC1)c1cc(-c2ccccc2C(F)(F)F)no1 1875316081 TVIKQGCRPBHQLN-UHFFFAOYSA-N 354.284 2.750 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2F)CC1(C)C 1875331223 VTRWFDPUPOVWHR-NSHDSACASA-N 354.426 2.704 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)c2nn(C(C)C)cc2O3)n1C 1875394719 UILWVADXNYHXPE-INIZCTEOSA-N 372.469 2.602 0 50 FFAA CCn1nnc(C)c1CN[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C)C2)C12CCC2 1875408212 QSKAHXDPBPRHEO-NZPGVSJUSA-N 359.518 2.560 0 50 FFAA O=C(NC[C@]1(F)C[C@@H](Nc2ncc(C(F)F)cn2)C1)c1ccsn1 1875406521 GNLKSKSBGOIRQT-DEZZCRIOSA-N 357.361 2.583 0 50 FFAA CCCC1(C(=O)NCC23CCC(CNc4ncccn4)(CC2)OC3)CC1 1875407738 GWXIWPZWRDEOFP-UHFFFAOYSA-N 358.486 2.914 0 50 FFAA CC[C@H](NC(C)=O)c1nc(COc2ccccc2)nn1-c1cccnc1 952969526 NYWKMEGEZWWVST-KRWDZBQOSA-N 351.410 2.829 0 50 FFAA C[C@H](Cn1cncn1)C(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 952990147 KMMVZOYJGJHCDT-OAHLLOKOSA-N 353.401 2.677 0 50 FFAA CC(=O)N1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C(F)(F)F 886036507 DIIFYPXISACJNY-UKRRQHHQSA-N 353.344 2.840 0 50 FFAA CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cc2cc(Br)cnc2n1C 889314886 NESULLKAHMNYSM-WCQYABFASA-N 352.232 2.585 0 50 FFAA C=CC(=O)N(C)CC(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1 1331534992 XJQPONIVCFLUAJ-UHFFFAOYSA-N 351.378 2.756 0 50 FFAA Cc1noc(C)c1CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 1565516561 MXUHPIPGKCBOCP-HKUYNNGSSA-N 369.421 2.877 0 50 FFAA CCN(C(=O)c1ccc(Cl)cc1OCCCN)[C@H]1CCCC[C@@H]1O 1565515000 CPAPGBFYCXVYPN-HOTGVXAUSA-N 354.878 2.833 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(N2CCCCC2)ccc1Cl 1565513111 OMXBXRJFVALFOB-IRXDYDNUSA-N 352.862 2.864 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2 275712851 OFEWEELZOJBUJB-IRXDYDNUSA-N 362.495 2.657 0 50 FFAA O=C(CN1CC[C@]2(C1)OCc1ccccc12)NCCCOC1CCCCC1 186692482 ZOQFIMIHTTWAFB-JOCHJYFZSA-N 372.509 2.973 0 50 FFAA O=C1N[C@H](C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CS1 170647456 NUALFZNGCOKJOY-ZDUSSCGKSA-N 352.843 2.586 0 50 FFAA COCc1c(C(=O)N2CCNC(=O)C2(C)C)sc2cccc(F)c12 109893161 DLWXBLVWDZEOTJ-UHFFFAOYSA-N 350.415 2.537 0 50 FFAA O=C1Nc2ccccc2CC[C@@H]1N1CCN(C(=O)c2ccc(F)cc2)CC1 191868461 GMLWANMBKJDHSC-IBGZPJMESA-N 367.424 2.537 0 50 FFAA COc1ccccc1Nc1ccccc1C(=O)N[C@@H]1CCc2ncnn2C1 192926370 XSGVLKADSCVNSS-CQSZACIVSA-N 363.421 2.775 0 50 FFAA O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC[C@@H](Nc2ccccc2)C1 193724273 YLRMEVPUJSVVDQ-OAHLLOKOSA-N 358.829 2.777 0 50 FFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCC[C@@H](c2nc(CC(C)C)no2)C1 1506403662 CVALMJDKRGCZRH-CYBMUJFWSA-N 374.441 2.931 0 50 FFAA Cc1c(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)[nH]c2c(Cl)cccc12 1529168817 MPXMNPVPMYTHHM-FZKQIMNGSA-N 356.857 2.955 0 50 FFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CC12CCNCC2 1529118233 HALKXHSOBFLVEW-OAHLLOKOSA-N 354.454 2.732 0 50 FFAA Cc1ncc(CN(CCN(C)C)C(=O)c2[nH]c(-c3ccccc3)nc2C)[nH]1 1704314509 UFWURBRYRXKMTD-UHFFFAOYSA-N 366.469 2.621 0 50 FFAA CC(=O)c1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1 5000817 CHBFIXNQYKJGCY-UHFFFAOYSA-N 367.434 2.655 0 50 FFAA Cc1cccc(CN2CCC[C@@](O)(CNCc3cccc(F)c3)C2=O)c1 11817432 BMIDHZXSQHAFJN-OAQYLSRUSA-N 356.441 2.777 0 50 FFAA Cc1sc(-c2ccccc2Cl)nc1C(=O)N[C@@H]1CCS(=O)(=O)C1 11866146 AOOVDYAOXQEJEJ-SNVBAGLBSA-N 370.883 2.689 0 50 FFAA O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1)[C@@H]1CCOC1 12587046 ARXDZIIEZFGXRT-MRXNPFEDSA-N 372.469 2.522 0 50 FFAA COc1ccc(/C=C/C(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)cc1 12707163 QKUPVJDZHAYXKH-VGMNTSGFSA-N 368.433 2.970 0 50 FFAA CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 13331466 GFAJJGOVAJFLQR-UHFFFAOYSA-N 352.500 2.617 0 50 FFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OC 13682357 NUWVVEHNUQNBHV-UHFFFAOYSA-N 354.815 2.509 0 50 FFAA CSc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1 15067276 WLGCUCGSXNSSDI-NHCUHLMSSA-N 371.550 2.913 0 50 FFAA CC(C)Cc1cc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 19642848 SXVDIZKYNDZGTD-NRFANRHFSA-N 356.514 2.677 0 50 FFAA Cn1nc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2c(Cl)cccc21 1857729899 VTDQNLRAAFOETA-RDTXWAMCSA-N 360.889 2.522 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857732086 BJXHWIIEBGKQFU-WFXMFSGNSA-N 364.873 2.530 0 50 FFAA COc1ccc2n[nH]c(CN3C[C@@H]4CC[C@H](C3)C(=O)N4CC3CCC3)c2c1 212936689 UTBYMQSQWFREJU-CVEARBPZSA-N 368.481 2.794 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)s1 328640083 XDCZTYGFKYPRBH-HNNXBMFYSA-N 358.467 2.660 0 50 FFAA Cn1cnc(C(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c1 331588979 GSWBFTVWCUYEGY-LBPRGKRZSA-N 367.236 2.652 0 50 FFAA CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccc(-c2ccccc2)nn1 125696763 HTXBLPBYQUYPNN-INIZCTEOSA-N 364.449 2.898 0 50 FFAA CCO[C@@H]1C[C@@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C12CCOCC2 332966829 ZMPIEVRJHIMXCW-KURKYZTESA-N 352.519 2.587 0 50 FFAA COc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CC1 478492948 VWBVVENJFMSDIB-MSOLQXFVSA-N 351.450 2.851 0 50 FFAA COc1ccc(C2(C(=O)NC[C@@]3(O)CCO[C@H]3C)CC3(CCC3)C2)cc1 367675892 QVZFFDOAKGBIKC-BTYIYWSLSA-N 359.466 2.553 0 50 FFAA NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 1072596 GVTAQIDHDFHWTO-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA C[C@@H](C(=O)N1CCC(c2n[nH]c(CN)n2)CC1)c1ccc2ccccc2c1 2325753664 QVSKUNIZXKKTDT-CQSZACIVSA-N 363.465 2.926 0 50 FFAA COC(=O)c1cccc(C2CN(Cc3c(C)nc4sc(C)nn34)C2)c1 2325808768 RFZFNDDLAWSRMP-UHFFFAOYSA-N 356.451 2.794 0 50 FFAA CN(C[C@@H]1CCCN1C(=O)c1ccc2cccnc2c1)C(=O)c1cnco1 2325870645 IXISFYPGXMHFCG-INIZCTEOSA-N 364.405 2.600 0 50 FFAA C[C@@H](O)[C@@H](CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 897962815 NHAKQABSDNLNFJ-AUUYWEPGSA-N 352.434 2.625 0 50 FFAA C[C@@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1 929872240 CHYXSHBHPDQOEW-CYBMUJFWSA-N 352.390 2.783 0 50 FFAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N[C@H]1CCc2[nH]ncc2C1 246860938 BZKAHRZLQPPXOQ-VDZJLULYSA-N 354.454 2.734 0 50 FFAA CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1 537807 SUQZXLUIKZXADU-UHFFFAOYSA-N 353.831 2.916 0 50 FFAA in-man CCOc1ccc(CN(C(=O)c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4850671 CIIUCWQYLJARRR-GOSISDBHSA-N 373.474 2.915 0 50 FFAA CCN(CC)C(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(Cl)c1 4866879 CHWBBZSEOFDONZ-HNNXBMFYSA-N 351.834 2.845 0 50 FFAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnc(C)[nH]c1=O 55041969 GCYSMTDSSBNBAF-UHFFFAOYSA-N 357.410 2.638 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CC(=O)N(C2CCCC2)C1 53243882 SQXVUTMIYSQSDN-HNNXBMFYSA-N 373.472 2.702 0 50 FFAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccc1 247777773 YGMXSAUKYCIHRM-ARFHVFGLSA-N 373.250 2.895 0 50 FFAA CCc1nc(-c2nc3c([nH]2)C[C@@H](c2ccc(Cl)cc2)CNC3=O)no1 67713359 HMMXVKUPUPIWJQ-SNVBAGLBSA-N 357.801 2.745 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c1C 67587589 DPLPPKMAMODXTP-UHFFFAOYSA-N 365.437 2.624 0 50 FFAA CN1CCC(N(Cc2ccncc2)Cc2ccc3c(c2)OCCO3)CC1 65488660 LCOMSGMIJUSEIX-UHFFFAOYSA-N 353.466 2.949 0 50 FFAA Cc1ccc(Cn2nccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)o1 120249569 PDODUBYDXALNHE-AWEZNQCLSA-N 356.426 2.562 0 50 FFAA COc1ccc(CCNC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1OC 171138655 CORAFYKKTIKLCO-HNNXBMFYSA-N 358.442 2.559 0 50 FFAA O=S(=O)(NCc1ccnc(OC2CCC2)c1)c1c(F)cc(F)cc1F 121095754 SNRDJTVMUZCZHG-UHFFFAOYSA-N 372.368 2.909 0 50 FFAA O=C(C[C@H]1CCCC[C@@H]1O)NCCc1nc(-c2ccc(Cl)cc2)no1 253418626 ZHQSYYMSVMOGER-HIFRSBDPSA-N 363.845 2.990 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)c2ccoc2C2(O)CCOCC2)cc1 253419472 VKGQBNCLVOOSCX-UHFFFAOYSA-N 372.421 2.668 0 50 FFAA O=C1NC[C@]2(CCCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)C2)O1 215354990 JDDQLQLBBOMMJY-FQEVSTJZSA-N 353.422 2.761 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](c3cc(N4CCOCC4)ncn3)C2)c1 72473253 CRBXKACTUOIBNX-SFHVURJKSA-N 366.465 2.641 0 50 FFAA CCn1ccc(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)cc1=O 215677541 HPBKDRICGLWTAM-GOSISDBHSA-N 357.429 2.574 0 50 FFAA Cc1nc2ccccn2c1CN1CCN(Cc2ccccc2F)C(=O)C1 72164445 KAPKWEUNKLNYHR-UHFFFAOYSA-N 352.413 2.626 0 50 FFAA COC(=O)c1ccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1 72161178 VJTSSSOBXCVRCB-KRWDZBQOSA-N 373.453 2.872 0 50 FFAA CC[C@@H]1CN(C(=O)c2ncccc2OC)CCC(=O)N1Cc1ccccc1 71419104 QTISFLIBSDLRGI-QGZVFWFLSA-N 367.449 2.744 0 50 FFAA Cc1ccc(Sc2ccc(CN3CCN[C@H](C(=O)NC4CC4)C3)o2)cc1 72157636 KVODAPACARMQPT-SFHVURJKSA-N 371.506 2.792 0 50 FFAA Cc1noc(C2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)n1 363307883 WUVKMGMLQZFWOX-UHFFFAOYSA-N 351.410 2.512 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)c1 77516305 NNAPEFZQNIMTNY-SFHVURJKSA-N 363.421 2.863 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 237599410 FGHCEKCYERRBTO-DOTOQJQBSA-N 370.380 2.892 0 50 FFAA CCc1[nH]c2c(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc(F)cc2c1C 71762140 QAXFTIRBCKREGO-LBPRGKRZSA-N 366.458 2.619 0 50 FFAA COC(=O)CCn1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 72436607 BIRYDSDBHFZMAB-INIZCTEOSA-N 367.453 2.702 0 50 FFAA CC(C)NC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O 77303713 MMEYYFYQSRRDLC-UHFFFAOYSA-N 370.840 2.879 0 50 FFAA Cc1cc(-c2cnn(CC(=O)Nc3cc(C)nn3-c3ccccn3)c2)ccn1 48330158 IXAPSWOFLHWTKM-UHFFFAOYSA-N 373.420 2.781 0 50 FFAA CCc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1S(N)(=O)=O 288696805 YFNMOLSOYGUXOZ-AWEZNQCLSA-N 367.496 2.817 0 50 FFAA C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1nncn1C1CCCC1 223183435 DGRDYFUOTCQXTF-HNNXBMFYSA-N 369.469 2.721 0 50 FFAA Cc1nccn1CCCSc1nnc([C@H](N)Cc2ccccc2)n1C 426395121 FCPDMFPSHMXLNX-MRXNPFEDSA-N 356.499 2.745 0 50 FFAA CN(C[C@@H]1CCCO1)C(=O)NCc1nc2cc(C(F)(F)F)ccc2n1C 426513633 KWQYCKVUCXZZHE-LBPRGKRZSA-N 370.375 2.913 0 50 FFAA O=C(NCc1sc2ccccc2c1Cl)N1CCN(CCCO)CC1 426581357 XFDKVMXNQFWZCA-UHFFFAOYSA-N 367.902 2.764 0 50 FFAA C[C@H](O)c1cccc(-c2cccc(C(=O)NCCCN3CCOCC3)c2)c1 426519009 RFJYHTZPOWDTGJ-KRWDZBQOSA-N 368.477 2.859 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@H](CCn1cncn1)c1ccccc1 91737550 TZUPOYXHXHMPTO-QGZVFWFLSA-N 372.375 2.883 0 50 FFAA O=C1NC2(CCN(CC(=O)N3CCCCCC3)CC2)C[C@@H]1c1ccccc1 95379024 GLQCPRYFKBHPLK-LJQANCHMSA-N 369.509 2.527 0 50 FFAA Cc1ccsc1-c1ccc(C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)cc1 426423100 RIECTEJKKNXZPX-PXNSSMCTSA-N 356.491 2.910 0 50 FFAA O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 97698713 JGXHSMIAHUOSRD-SFHVURJKSA-N 370.474 2.514 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@H]1CC(=O)N(Cc2ccncc2)C1 97099350 ZPBIXMZJSGXLBS-FQEVSTJZSA-N 363.461 2.625 0 50 FFAA Cc1cccc([C@@H](C(=O)N2CCN(c3cccc(O)c3)CC2)N(C)C)c1 95365575 QXTPQCRVOIIXTB-FQEVSTJZSA-N 353.466 2.652 0 50 FFAA Cc1cc(N2CCN(C(=O)c3ccc4sccc4c3)CC2)nc(N)n1 91876657 BIKDVQJALWDTSX-UHFFFAOYSA-N 353.451 2.544 0 50 FFAA CCCNc1ncc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)cn1 91269694 FNMRZHZXLUHGTL-ZWKOTPCHSA-N 354.454 2.907 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 91907500 ZUZIGWBAMPFCOB-KRWDZBQOSA-N 362.499 2.636 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3cc(C)nc4onc(C)c34)CC2)ccn1 91819159 SIZKORPAPCBEPZ-UHFFFAOYSA-N 365.437 2.896 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3C)C[C@H]2NC(C)=O)cc1 95506733 WQCXUCOOHUTCOJ-DLBZAZTESA-N 373.478 2.513 0 50 FFAA c1ccc(OCCN2CCN(c3nccc(-c4ccncc4)n3)CC2)cc1 96138620 BGAVWTRYWKYHNJ-UHFFFAOYSA-N 361.449 2.740 0 50 FFAA O=C(O)c1n[nH]c2c1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)CC2 244787751 QDAZSJARYQLSSB-UHFFFAOYSA-N 374.828 2.560 0 50 FFAA Cc1oc(CN(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C(=O)O 299750597 OAOAFNFCRFOWMH-HNNXBMFYSA-N 374.418 2.748 0 50 FFAA COc1ccc(Cc2[nH]nc(O)c2[C@H](CC(N)=O)c2ccccc2)cc1 252493136 MZWWOVZCAYFEHI-MRXNPFEDSA-N 351.406 2.722 0 50 FFAA Cc1ccccc1[C@]1(CC(=O)NCCn2cnnc2)CCOC(C)(C)C1 299785385 ZDHUHBTVCXLGKK-FQEVSTJZSA-N 356.470 2.620 0 50 FFAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCCCn1ncc2ccccc21 823118474 RKGYVYHCVUQBPO-OAQYLSRUSA-N 362.477 2.989 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)NC2(C3CCCCC3)CC2)N1 584886268 NOPLHBDVZCIYKP-SFHVURJKSA-N 370.497 2.985 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)C2CCN(c3nc4ccccc4s3)CC2)C1 165380358 OCSFIRVUOAKSQQ-AWEZNQCLSA-N 373.478 2.836 0 50 FFAA COC(=O)C1(c2cccc(NC(=O)N3C[C@@H](CO)C[C@@H](C)C3)c2)CCC1 1875296824 QUXCQHBCLSCZOZ-CABCVRRESA-N 360.454 2.764 0 50 FFAA COc1ccc(-n2cc(C(=O)NC[C@H](C)c3ccccc3OC)nn2)cc1 1875271513 JHARFBDJOZWYIF-AWEZNQCLSA-N 366.421 2.818 0 50 FFAA COCCn1nc2c(c1C(=O)N1CC=CCC3(CC3)C1)C[C@H](C)O[C@@H]2C 1875315883 LIMACGNESTXEDG-LSDHHAIUSA-N 359.470 2.734 0 50 FFAA C[C@H](CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(C)(F)F)C2)CC(F)(F)F 1875344624 NIQUXMWKXZEWEZ-VWYCJHECSA-N 356.335 2.822 0 50 FFAA C=CC(=O)NCc1ccc(CNC(=O)c2snnc2C(C)C)c(F)c1 1875386495 RRPQURMPYHFAHL-UHFFFAOYSA-N 362.430 2.533 0 50 FFAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)N1CCC(c2ccncc2)CC1 1875395732 KJPVBESMOSTGRM-FBBABVLZSA-N 350.466 2.889 0 50 FFAA Cn1c(CC(=O)N2CCC[C@@]23CCC[S@](=N)(=O)C3)cc2ccccc21 1875396075 VADBJZBJIPNOEE-DFBJGRDBSA-N 359.495 2.923 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4c(ncn4C4CCC4)C3)nn(C)c21 1875403817 FJQKJRRNNKLUKN-OLZOCXBDSA-N 369.469 2.562 0 50 FFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(-n3cccn3)ccc2C)C1 952987544 OIDWKAIMNGMKTE-QGZVFWFLSA-N 363.483 2.760 0 50 FFAA CCNC(=O)c1ccc(NC(=O)c2csc(CN(C)C)n2)cc1Cl 952980926 LIXZHXDVCHAIDI-UHFFFAOYSA-N 366.874 2.860 0 50 FFAA Cc1nnc(SCCCNC(=O)/C=C/c2cc(CO)cs2)s1 952973868 BVRUJKNGBPNYFO-ONEGZZNKSA-N 355.510 2.712 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2coc(C3CCC3)n2)C1 886038260 OUJVVZAQKBXVQT-GOEBONIOSA-N 357.410 2.646 0 50 FFAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ncc(C(N)=O)cc1Cl 1342916808 ZCAXGDJOGFCONB-UHFFFAOYSA-N 370.840 2.772 0 50 FFAA Cc1sc(=O)n(CC(=O)N[C@@H]2CCNC3(CCC3)C2)c1-c1ccccc1 1353948259 DXPCWXZIWNQPMY-MRXNPFEDSA-N 371.506 2.676 0 50 FFAA CC(=O)N1CCc2c(ncn(Cc3csc(C4CCCCC4)n3)c2=O)C1 275728516 ZOOMWEPHPMDTQE-UHFFFAOYSA-N 372.494 2.700 0 50 FFAA O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CCc2[nH]ncc2C1 172036912 FOBWCNSDPMXKPO-GFCCVEGCSA-N 356.813 2.664 0 50 FFAA COc1ncc(Cl)c(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1 301684249 HGKFJTDCVXWKHN-GFCCVEGCSA-N 361.833 2.697 0 50 FFAA CNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2cc(-c3ccccn3)no2)C1(C)C 1076020329 ZESRBDNITBCWTF-VBKZILBWSA-N 370.453 2.541 0 50 FFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NS(=O)(=O)c1cc(C)c(C)s1)O2 408484893 OQLOMTUUDOPQIY-HNNXBMFYSA-N 365.476 2.872 0 50 FFAA Cc1cccc2c1CCN(C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1)C2 777576043 LGFZDYDQAYBJAH-HXUWFJFHSA-N 359.491 2.664 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1scc2c1OCCO2 1506429441 UPSCFEIUQGMBPC-UHFFFAOYSA-N 355.419 2.977 0 50 FFAA CCc1ccc(CN2CCCN(C(=O)c3c(CC)noc3C)CC2)nc1 1800411836 PBYCSJCGILKHGG-UHFFFAOYSA-N 356.470 2.851 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)cc1C(=O)O 219339153 YRVICDVGXMXBQP-SJORKVTESA-N 372.465 2.782 0 50 FFAA COC(=O)C[C@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCO2 5879457 NKPZSVRCLGDFKC-AWEZNQCLSA-N 360.341 2.980 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 11873585 MUSWEDBNODARTL-GOSISDBHSA-N 374.529 2.968 0 50 FFAA Cc1ccccc1Cn1cc(C(=O)NCCCc2scnc2C)nn1 11934795 IQECAGJDMXYJNN-UHFFFAOYSA-N 355.467 2.762 0 50 FFAA O=C1CCCN1CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1 12052681 XDCDDRBDUADRSH-UHFFFAOYSA-N 354.454 2.961 0 50 FFAA Cc1cc(CN(C)C(=O)c2cc(Cn3c(C)nc4ccccc43)[nH]n2)on1 12433815 FNAFZZYVKVLZKL-UHFFFAOYSA-N 364.409 2.685 0 50 FFAA Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1NS(=O)(=O)c1ccccc1 13679687 XUDXYAZFLOZRFS-INIZCTEOSA-N 374.462 2.705 0 50 FFAA COc1ccccc1NC(=O)Nc1ccccc1C(=O)N1CCOCC1 16286415 MESVSSOQXBPNKM-UHFFFAOYSA-N 355.394 2.812 0 50 FFAA NS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2Cl)cc1 19871806 KSEPJBLBLDVWJW-UHFFFAOYSA-N 359.278 2.973 0 50 FFAA CN(C)c1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(CC2CC2)CC1 1857694963 NEEWHAKSTUMSLE-UHFFFAOYSA-N 355.530 2.833 0 50 FFAA NC(=O)NCc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2F)cc1 225750238 SNIJSGBFLUCNDJ-UHFFFAOYSA-N 353.357 2.636 0 50 FFAA Cc1noc(CNC(=O)N2Cc3cc(Br)ccc3C[C@H]2C)n1 332148012 RMDAZKDXHRKRMO-SECBINFHSA-N 365.231 2.797 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)O)c1ccc(C)cc1 236684835 OLKCOEHOGZWTKF-MSOLQXFVSA-N 360.454 2.808 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2C[C@H](N)CCO2)CC1 333224261 AQAADDNNEZPWDZ-RHSMWYFYSA-N 352.862 2.707 0 50 FFAA NCCCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704312836 CGRKDXQIAGUSAJ-NRFANRHFSA-N 350.466 2.689 0 50 FFAA CN1CCc2c(-c3cccs3)nc3sc4c(=O)[nH]c(=O)[nH]c4c3c2C1 1423729 RHFUEASHEXHQPR-UHFFFAOYSA-N 370.459 2.543 0 50 FFAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1cccc(Br)c1 16652035 KPHMGHUVZZPXBN-UHFFFAOYSA-N 364.247 2.675 0 50 FFAA COc1ccc([C@](C)(NC(=O)c2c(C)nn3c2CCC[C@H]3C)C(=O)O)cc1 2325798959 LKNXWYIOIBIQFP-ODXCJYRJSA-N 371.437 2.827 0 50 FFAA CO[C@H](C(=O)Nc1cc(C(=O)O)ccc1N1CCCCC1)[C@H]1CCCO1 2325812786 GYFMGUICKPOAPL-SJORKVTESA-N 362.426 2.508 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cn(-c4ccn(C)n4)cn3)cc2)c1C 2325824493 CVSHADMEEJSJNT-UHFFFAOYSA-N 361.409 2.661 0 50 FFAA O=C(NC[C@@H]1CCCN1C(=O)c1ccc2cccnc2c1)c1ccncc1 2325870680 KIHQUJOMSLSSCL-SFHVURJKSA-N 360.417 2.664 0 50 FFAA CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cnn(C2CCCC2)c1 901766210 OXJXKVXJRWLIBD-SFHVURJKSA-N 363.483 2.998 0 50 FFAA Cc1nccn1CCCOC(=O)c1cccn2ncc(Br)c12 923185855 ZNAWJQAODBNWSQ-UHFFFAOYSA-N 363.215 2.849 0 50 FFAA Cc1nc2ccnn2c(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1C 2356154931 QBRRXRHNSUEBCJ-RTBURBONSA-N 363.465 2.608 0 50 FFAA CC(=O)O[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 3078724 YNAKWGKKOVYPDS-INIZCTEOSA-N 353.827 2.923 0 50 FFAA CC(C)N1CC[C@@H](N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)C1 2356163091 XFGIQAONBUZTFL-OAHLLOKOSA-N 364.511 2.793 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cccc(CO)c2)C[C@H]1NC(C)C 2356164524 WIBVDAWHTGGVSH-XUVXKRRUSA-N 362.514 2.757 0 50 FFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 6741067 JCPCOLWZLFRBDB-STQMWFEESA-N 362.451 2.980 0 50 FFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 54151097 TTXJACUUFKXCDA-NSHDSACASA-N 356.813 2.924 0 50 FFAA Cc1nc(CN(Cc2c(Cl)nc3c(C)cccn3c2=O)C(C)C)no1 67588909 UKPGKWIQQPYWIC-UHFFFAOYSA-N 361.833 2.758 0 50 FFAA CC[C@@H]1C=CCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 67868859 CTUPGUMHZFHHGZ-CQSZACIVSA-N 365.393 2.625 0 50 FFAA Cc1nc2c(c(C)c1CC(=O)NCc1ccc(C3CC3)cc1)c(=O)[nH]n2C 252484166 FQHAAIPKZXNHEZ-UHFFFAOYSA-N 364.449 2.615 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1cc(COc2cc(C)ccc2C)on1 67473086 OBMLCHFHIXKAAI-CQSZACIVSA-N 369.425 2.973 0 50 FFAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3ccnc(N(C)C)n3)C2)cc1 426240420 RAUAFMREOONRNY-WBVHZDCISA-N 353.470 2.939 0 50 FFAA COc1ccc2c(c1OC)CC[C@@H]2NC1CCN(c2ncccn2)CC1 252508228 XHNQVQSRQUKUJB-KRWDZBQOSA-N 354.454 2.740 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2cc3ccccn3c2)C1 285125265 VVLNOMCKVKMPMO-CVEARBPZSA-N 351.410 2.537 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](NCc2nc3cc(Cl)ccc3n2C)CCO1 328625730 DLPDCCDLROXJNM-DYVFJYSZSA-N 359.861 2.970 0 50 FFAA O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 12455035 IRRQMJCNSMNCGJ-MJGOQNOKSA-N 367.424 2.874 0 50 FFAA Cn1nccc1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 2802440 YSWLDGRVJYLKSF-UHFFFAOYSA-N 360.874 2.805 0 50 FFAA COC(=O)CCCn1nc(NC(=O)c2cc3ccccc3oc2=O)cc1C 4785008 SCCKIQHCBJDKFV-UHFFFAOYSA-N 369.377 2.503 0 50 FFAA Cc1ncsc1CCNc1ccc(S(=O)(=O)N2CCCC2)cc1 285153181 LXWNIAXSCHFQTB-UHFFFAOYSA-N 351.497 2.891 0 50 FFAA CC[C@@H](O)CNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 72164458 YGLVTEGDCZXEKJ-OAQYLSRUSA-N 366.505 2.586 0 50 FFAA C[C@]1(C(=O)N2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)CC=CCC1 333042486 FGVYKGWSFJHVSZ-UTKZUKDTSA-N 372.513 2.694 0 50 FFAA Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C)cc(S(N)(=O)=O)c1C 174676996 WMMZXOMABXCCNX-CQSZACIVSA-N 358.463 2.710 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(C(=O)O)CC1 237636691 PHGYMSAUMYCZHJ-VIFPVBQESA-N 374.206 2.679 0 50 FFAA CCS(=O)(=O)N1CCC(NCc2ccc(F)cc2C(F)(F)F)CC1 129416102 MYCLSGPYHKWMKP-UHFFFAOYSA-N 368.396 2.748 0 50 FFAA Cc1nc(NCC[C@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 72148503 RMNJZJVNMBUDSG-KRWDZBQOSA-N 350.470 2.996 0 50 FFAA COc1cc(CN2CCCC[C@H]2CO)ccc1OCCN1CCCCC1 216363612 UTDHDBROPQRVBN-IBGZPJMESA-N 362.514 2.907 0 50 FFAA O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCOC[C@H]1[C@H]1CCCO1 376248753 FPNGPEYKNAFXQR-DLBZAZTESA-N 366.408 2.586 0 50 FFAA CCCc1ncncc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72152526 HIGUOGVFQOGQCM-HXUWFJFHSA-N 350.422 2.555 0 50 FFAA Cc1ccccc1N(CC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 242389320 ZWFKSRPMBPKKOE-LTIDMASMSA-N 364.511 2.702 0 50 FFAA CNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)co1 132680296 DLHGDKQJXWLOEO-ZDUSSCGKSA-N 362.451 2.629 0 50 FFAA Cc1ccccc1NC(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72115778 QWMKMXUHALTGHU-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA COCc1nc(CN2CCC[C@@H](c3nccn3Cc3ccccc3)C2)no1 82121376 OITAIFPHLHSNRE-QGZVFWFLSA-N 367.453 2.840 0 50 FFAA CCCc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)[nH]n1 222333771 XKDIITNKELQPFI-GSQSYGFSSA-N 355.438 2.539 0 50 FFAA Cn1cc(CC(=O)N2CCCC[C@H]2CCN2CCOCC2)c2ccccc21 82107037 BQVRTNMLYNBOBL-IBGZPJMESA-N 369.509 2.824 0 50 FFAA CN(C)c1ccccc1-c1cccc(C(=O)N2CCN(CCCO)CC2)c1 426443069 VQTVPQGLUGXHAA-UHFFFAOYSA-N 367.493 2.560 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 229685015 DYKLCTRHLKJOJY-NXKWAJLKSA-N 374.824 2.928 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)N[C@@H]1CC(=O)Nc2ccccc21 426547695 VTYBFCNYEAYSMR-OAHLLOKOSA-N 354.410 2.778 0 50 FFAA COc1nc(C)cc(C)c1CNC(=O)CN1CC[C@@H](c2ccccc2)C1 223470087 VSPFEZFLKNVUHN-GOSISDBHSA-N 353.466 2.813 0 50 FFAA CN(C)[C@H](C(=O)NCCc1noc(C2CCCC2)n1)c1cccc(F)c1 95388458 OAGDZTSMXSGFON-KRWDZBQOSA-N 360.433 2.828 0 50 FFAA Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239433759 YKLKQIKUUSJQGC-UPHDCGPKSA-N 365.429 2.652 0 50 FFAA CN(C)CC[C@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccccc1 97475112 MRSBVWZJFMXLJP-FQEVSTJZSA-N 371.481 2.535 0 50 FFAA COCCC[C@H]1CCCCN1C(=O)CCc1nc(-c2cccnc2)no1 91974315 CDPYFNRIQHBUQS-MRXNPFEDSA-N 358.442 2.872 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)NC[C@@H](c2sccc2C)N(C)C)c1 97610197 XYMQRWDHAUQYMI-INIZCTEOSA-N 374.510 2.769 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(Cc2ccco2)C1 95498494 ITXMSCXQRCIRBS-FQEVSTJZSA-N 367.493 2.666 0 50 FFAA CSc1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)cs1 92064743 BLWZXCJXQVARMX-UKRRQHHQSA-N 374.535 2.997 0 50 FFAA COC(=O)[C@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(SC)[C@@H]5[C@H]6[C@H](CC[C@H]6[C@@H]1[C@@H]45)[C@]32O 247854240 SQCIWXCDMLADBM-VFOCQQCYSA-N 372.530 2.816 0 50 FFAA CC1(C)C[C@](CCNC(=O)c2cnc(O)cn2)(c2ccccc2)CCO1 244626680 FQMOKRYVGHUZHI-HXUWFJFHSA-N 355.438 2.829 0 50 FFAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1 299752525 ULZMIHVMFPFTQD-FHWLQOOXSA-N 351.402 2.837 0 50 FFAA CN1CCC[C@@H]1CCNC(=O)c1cccc(-c2ccc(CC(N)=O)cc2)c1 534585568 JMQJJNGWLXHONQ-HXUWFJFHSA-N 365.477 2.596 0 50 FFAA Cc1ccccc1N1CCN(C(=O)N[C@H](C)c2cn3ncsc3n2)CC1 534671378 YOHCBJCZLHLJFS-CQSZACIVSA-N 370.482 2.692 0 50 FFAA CCN(Cc1ccc(Oc2ncccn2)cc1)Cc1nc(COC)no1 55255783 DUIODCWQALYCTC-UHFFFAOYSA-N 355.398 2.820 0 50 FFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N[C@H](c1ncccc1C)C1CC1 299777472 NSZUZCBOYJRRNT-KRWDZBQOSA-N 374.466 2.619 0 50 FFAA COc1cc(C)c(-c2cccc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2)cn1 584885098 NLSMKBDTNDRFGJ-QGZVFWFLSA-N 367.449 2.936 0 50 FFAA CC(C)c1noc([C@H](C)NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)n1 822285059 NWKGAWRVLQCNTH-QMMMGPOBSA-N 373.818 2.584 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)N1CCC(c2nc3cccc(C)c3[nH]2)CC1 584890927 ZTYWIMQYIRKEBA-IRXDYDNUSA-N 372.469 2.564 0 50 FFAA Cc1nc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccco2)cn1C 670461024 VBKFYKNGRMUMGA-INIZCTEOSA-N 359.451 2.822 0 50 FFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3C[C@H]4OC(=O)C[C@@H]34)c12 1875297626 YYVOCLGQVBZQBC-APHBMKBZSA-N 363.373 2.632 0 50 FFAA Cc1nn([C@@H]2CCOC2)cc1C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1875271763 DHMASDWMMNCSMB-SJLPKXTDSA-N 368.437 2.746 0 50 FFAA O=C(O)[C@]1(c2ccc(F)cc2)CCN(CC[S@@](=O)c2ccccc2)C1 1875304029 XAFQXOPDXSXGQT-KBMIEXCESA-N 361.438 2.662 0 50 FFAA NC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc3cccnc23)C2(CCC2)C1 1875309932 VKVZRFSXDRXFHS-GFCCVEGCSA-N 365.886 2.780 0 50 FFAA Cn1c(NC(=O)[C@@H]2CC(=O)Nc3ncccc32)nc2c(Cl)cccc21 1875349361 UWCSXQQJUBIYGO-SNVBAGLBSA-N 355.785 2.686 0 50 FFAA COc1ccc2c(c1)C=C(CN[C@H]1CCCN(C(=O)c3ccco3)C1)CO2 952977690 OTKVGVGYHHVVPB-KRWDZBQOSA-N 368.433 2.958 0 50 FFAA Cc1cccc(-n2cc(CN(C)C(=O)CSc3nnc(C)o3)cn2)c1 952976204 QLKLEEABVQEFNG-UHFFFAOYSA-N 357.439 2.623 0 50 FFAA O=C([C@H]1CC[C@@H](C2CC2)N1)N1CCC2(CCc3ccccc3C2=O)CC1 888094029 XHFSGXJZGYWTIQ-RBUKOAKNSA-N 352.478 2.955 0 50 FFAA CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)Cc1csc(NS(C)(=O)=O)n1 170629880 SDNVLKRQEPLOKI-OCCSQVGLSA-N 373.544 2.730 0 50 FFAA Cc1nscc1C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 189291842 SCAXVBHQKFLZNO-OAHLLOKOSA-N 365.405 2.651 0 50 FFAA Cc1cc(C)n2nc(S(=O)(=O)[C@@H]3CCc4c(Cl)cccc43)nc2n1 195087040 FYYBKOLJTGQWCF-CQSZACIVSA-N 362.842 2.856 0 50 FFAA COCCn1ccnc1CN1CCC2(CC1)OCCc1cc(OC)ccc12 1704343945 HNNVWFVMUGBNLL-UHFFFAOYSA-N 371.481 2.602 0 50 FFAA CN(C)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 1079170 DKAPFMGNKCIOOO-UHFFFAOYSA-N 359.662 2.501 0 50 FFAA CN1C[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC1=O 1772805550 OIWRFKOBTLCFAW-AWEZNQCLSA-N 355.404 2.696 0 50 FFAA CC(C)c1nnc(N2CCCN(C(=O)C[C@@H]3CCCOC3)CC2)s1 1772814782 BHNWYGCUCGVCGY-AWEZNQCLSA-N 352.504 2.517 0 50 FFAA Cc1cccnc1C[C@H](C)NC(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1 11663698 PWPUCODILGVGTE-HNNXBMFYSA-N 366.469 2.842 0 50 FFAA CCOC(=O)c1cnn(-c2cccc(C)c2C)c1CN1CCC[C@@H](O)C1 11870881 BFWJFGAOSOIHGM-MRXNPFEDSA-N 357.454 2.623 0 50 FFAA Cc1nnc(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)o1 12076789 UPVKGMMKIMKSIU-UHFFFAOYSA-N 366.736 2.668 0 50 FFAA COc1ccc(CCN2C[C@H](NC(=O)c3cccc(C)c3)CC2=O)cc1 12587928 PTPQQIBYWPZGBD-GOSISDBHSA-N 352.434 2.577 0 50 FFAA O=C(c1scc2c1OCCO2)N1CCO[C@@H](Cc2ccc(F)cc2)C1 15066040 YSIDXSZBCHTLRZ-AWEZNQCLSA-N 363.410 2.742 0 50 FFAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](N1CCOCC1)C3 19301137 LYSDPIFEJTUPKL-AWEZNQCLSA-N 361.511 2.694 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19373662 INEFDDUCCOCBTE-UHFFFAOYSA-N 350.871 2.847 0 50 FFAA O=C(CNC(=S)NC(=O)c1ccc(Br)o1)c1ccccc1 2815527 VXPVYCFTNWFHGK-UHFFFAOYSA-N 367.224 2.529 0 50 FFAA aggregator Cc1cc(C)n2nc3nc(N4CCOCC4)nc(-c4ccccc4)c3c2n1 2835335 IFJXFRZDALPIBQ-UHFFFAOYSA-N 360.421 2.793 0 50 FFAA CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 4297046 QIYUSLKMNIXDDN-UHFFFAOYSA-N 365.886 2.893 0 50 FFAA CN(CC1=CCCOC1)C(=O)Cc1cc2nc[nH]c2cc1Br 1857530979 KNGYRRPTBQBOKH-UHFFFAOYSA-N 364.243 2.673 0 50 FFAA O=C([C@@H]1CCn2nccc2C1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1857711263 QNNZFSXFOYWLLA-CQSZACIVSA-N 367.428 2.867 0 50 FFAA O=C(CCc1nc2ccccc2s1)Nc1cnc2sccn2c1=O 1875243857 BGRRHMIIPSYDGI-UHFFFAOYSA-N 356.432 2.937 0 50 FFAA CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CCC(n3ccnc3)CC2)n1 328655972 YWIXCQWSXYIXBO-PKOBYXMFSA-N 370.501 3.130 0 50 FFAA COc1ccc(Br)cc1CCC(=O)N1CC[C@](C)(C(=O)O)C1 237122060 LWRZIVFKZASQEQ-INIZCTEOSA-N 370.243 2.714 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)C1 156352837 BTQCURYNFHOHTQ-UKRRQHHQSA-N 374.872 2.503 0 50 FFAA CC(=O)NC[C@@]12CCC[C@@H]1CCN2C(=O)c1ccc(-c2ccccn2)o1 2325849371 NCZGSWUNGJAYBT-QRWLVFNGSA-N 353.422 2.863 0 50 FFAA CC[C@@H](CC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1)CN(C)C 2325868344 WXWQQKCZDDYNLD-SFHVURJKSA-N 359.514 2.566 0 50 FFAA CCc1n[nH]c(SCC(=O)N2CCC(OCc3ccccc3)CC2)n1 53674569 DEUZLKDNWGLXSG-UHFFFAOYSA-N 360.483 2.667 0 50 FFAA O=C(c1ccc(CO)cc1)N(CCCn1ccnc1)Cc1cccnc1 55575560 IRZNGOMJMQRHLX-UHFFFAOYSA-N 350.422 2.503 0 50 FFAA Cc1ccccc1[C@H]1[C@@H](C(=O)NCc2ccncc2)C[C@@](C)(C(=O)O)N1C 67604946 OGIXODGHZOSLDI-WFXMLNOXSA-N 367.449 2.543 0 50 FFAA Cc1nc(CC(C)C)oc1C(=O)NS(=O)(=O)Cc1ccc(F)cc1 252494611 NZSVEFLCFQVINR-UHFFFAOYSA-N 354.403 2.580 0 50 FFAA Cn1cnc(-c2ccc(OC[C@@H](O)COc3ccc(Cl)cc3)cc2)n1 252572587 ZLOQAVGBAVGBTQ-OAHLLOKOSA-N 359.813 2.954 0 50 FFAA c1ccc(CCn2cnnc2CNC2CCC3(CCNCC3)CC2)cc1 67851431 HJQFVENBDJXPMP-UHFFFAOYSA-N 353.514 2.923 0 50 FFAA COc1ccccc1N1CC[C@@H](N(C)Cc2ccc([S@@](C)=O)cc2)C1=O 152014840 ZZFJWLKHTDWXFK-DWXRJYCRSA-N 372.490 2.670 0 50 FFAA C[C@H]1Cc2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3)ccc2O1 65372439 VHZFUKLQXIPHKV-ZDUSSCGKSA-N 356.397 2.585 0 50 FFAA C[C@@H](c1ccsc1)N1CCN([C@@H](C)c2nc(N)nc(Cl)n2)CC1 253427375 FKHAALMBCFUSKU-QWRGUYRKSA-N 352.895 2.609 0 50 FFAA COc1ccc(-c2nc(CN3CC[C@H](NC(C)=O)C3)c(C)o2)c(OC)c1C 67678734 LVUUPBFKLKEVBJ-HNNXBMFYSA-N 373.453 2.686 0 50 FFAA COc1ccc2ccc(OCc3nc(C(=O)N(C)C[C@H](C)O)co3)cc2c1 67742081 BNTZQDOMLUQSOP-ZDUSSCGKSA-N 370.405 2.868 0 50 FFAA CN(Cc1ccn(C)n1)C(=O)c1ccn(COc2cccc(Cl)c2)n1 2802583 RRYVDZUXGOOCAU-UHFFFAOYSA-N 359.817 2.579 0 50 FFAA Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)CCN2CCCCO2)C1 12314383 OBEDSELKADYBRB-NRFANRHFSA-N 360.498 2.556 0 50 FFAA CCS[C@H](C)C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 71738426 FYRMPWVWPHSXPZ-CYBMUJFWSA-N 371.510 2.631 0 50 FFAA NC(=O)[C@H]1Cc2ccccc2CN1Cc1cnc(C2CCCCC2)nc1 216110376 HWHAQRDYZKRUJB-LJQANCHMSA-N 350.466 2.937 0 50 FFAA Cc1nc(CN(C)[C@H]2CCCN(Cc3nc4c(s3)CCC4)CC2)no1 328655590 YNDRDHFWEUHNAU-AWEZNQCLSA-N 361.515 2.810 0 50 FFAA C[C@@H](Oc1ccccc1CN1CCN(C2CCSCC2)CC1)C(=O)O 215837883 KWCRULDTMIHEGX-OAHLLOKOSA-N 364.511 2.552 0 50 FFAA COCC[C@@H]1CCCCN(CC(=O)Nc2ccc(Br)cn2)C1 332400459 ZSURWFJHASGPMY-ZDUSSCGKSA-N 370.291 2.921 0 50 FFAA CCc1onc(C)c1C(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 375564221 JOLWWIKWKKDRBA-HKUYNNGSSA-N 357.454 2.689 0 50 FFAA Cn1ccnc1C(=O)[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)s2)C1 77469929 ZATRPHPYRDNVPN-CYBMUJFWSA-N 355.467 2.967 0 50 FFAA COc1cc(NC(=O)Cc2c(C)nn(C(F)F)c2C)ccc1C(=O)O 263077033 YTUZZRCFFKLGMD-UHFFFAOYSA-N 353.325 2.783 0 50 FFAA COc1cccc([C@@H](O)C(=O)N2CCC3(CC2)OCc2ccccc23)c1 378319955 WYBHSGCUECJWNW-LJQANCHMSA-N 353.418 2.777 0 50 FFAA CCCn1nccc1C(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71759338 NVKQMRVPDYOZBH-GOSISDBHSA-N 368.481 2.946 0 50 FFAA O=C(NCc1cn2c(n1)SCC2)c1cc(CCc2ccccc2)no1 20209948 BYOBPBYBMWKPBV-UHFFFAOYSA-N 354.435 2.692 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@@H](NC)C2)ccc1OCc1ccncc1 133955902 RKPKIQXTRGWBJH-GOSISDBHSA-N 369.465 2.883 0 50 FFAA O[C@H]1C[C@@H]([C@@H](Cc2ccccn2)NC2CCN(Cc3ccco3)CC2)C1 220339907 TZJFRWFOGORGAI-OZOXKJRCSA-N 355.482 2.611 0 50 FFAA Cc1ccn(-c2ccccc2NC(=O)N2CCN(CC(F)(F)F)CC2)n1 177684484 PRAVCIFOSVJSGB-UHFFFAOYSA-N 367.375 2.893 0 50 FFAA O=S(=O)(NCCNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 20366446 HOYFEYGNUAXKAD-UHFFFAOYSA-N 371.690 2.605 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1ccc(F)cc1Cl)CC2 426535623 FGJSEGZCIJEJRY-QANKJYHBSA-N 371.836 2.640 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCc1n[nH]c2c1CCCCC2 426484450 MCJAHPMRHNCEPK-IBGZPJMESA-N 372.469 2.649 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)c(=O)n1 220734831 NLFYRTJAFZUFID-QGZVFWFLSA-N 364.449 2.578 0 50 FFAA O=c1c2nnc3ccnn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 40388091 ODZDAMLAIIQWJE-UHFFFAOYSA-N 364.796 2.817 0 50 FFAA CCOC(=O)C[C@H]1COCCN1Cc1nc(-c2ccsc2)oc1C 20537512 LHHBCKGNROVUFN-AWEZNQCLSA-N 350.440 2.866 0 50 FFAA O=C(NCCN1CCCOC1=O)c1cccc(-c2cc(F)ccc2O)c1 426584134 ULRINTWCRPYPEQ-UHFFFAOYSA-N 358.369 2.770 0 50 FFAA Cc1nc(CC2CCN(C(=O)NCc3c(C)nn(C(C)C)c3C)CC2)no1 426412326 CPAWDPPTEQZWQB-UHFFFAOYSA-N 374.489 2.937 0 50 FFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)c2ccnc(OC)c2)C3)c1 96140740 WZDXQQVHBSMHLY-UHFFFAOYSA-N 364.405 2.687 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1C 95383563 KSDAWORENZVBLW-KRWDZBQOSA-N 370.501 2.655 0 50 FFAA O=C(CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)c1ccccc1 95531356 ZOINYERBTNCLCQ-XMSQKQJNSA-N 365.429 2.647 0 50 FFAA COCCN1CCC[C@H](C(=O)NCc2nc(-c3ccccc3)cs2)C1 97578841 CMCWFSBNPTVZFH-INIZCTEOSA-N 359.495 2.785 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cc(C)on3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95354371 FTKAZPPIKRTVHK-MISYRCLQSA-N 367.449 2.694 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91587451 BNNMXQYFWHRPLU-NRFANRHFSA-N 368.481 2.594 0 50 FFAA CC(C)CN1CC2(CCN(C(=O)COc3cccc(F)c3)CC2)CC1=O 91321296 BDKIFDUERMQAIO-UHFFFAOYSA-N 362.445 2.702 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1noc(-c3ccccc3)n1)C2 91626278 LRWDFGMWFPZYHT-HNNXBMFYSA-N 365.389 2.613 0 50 FFAA Cc1cccc(-n2cc(CN(C)C(=O)CN3C(=O)OC[C@@H]3C(C)C)cn2)c1 95508403 QATPBVAQDYJRCM-GOSISDBHSA-N 370.453 2.616 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3ncnc4ccsc34)C2)N1Cc1cscn1 95517667 SVCRAJUVYLDHLK-WCQYABFASA-N 371.491 2.775 0 50 FFAA O=C(NC[C@@H]1CCCNC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95391201 DNZCTNOGYIYHDL-CQSZACIVSA-N 352.413 2.870 0 50 FFAA O=C1CCCCN1CCCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95506290 FIZJNUOGEZDURK-UHFFFAOYSA-N 366.465 2.754 0 50 FFAA CCn1ncnc1[C@H](C)NC1CCN(c2nc(C)nc3sccc23)CC1 96162746 ITHGIUXYBPJTAJ-LBPRGKRZSA-N 371.514 2.931 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2ccccc2Cl)[C@H]2C[C@@H](O)C2)cn1 252540322 PCTJLKVXYBXJGL-KHYOSLBOSA-N 360.841 2.915 0 50 FFAA Cn1cnc2cc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)cnc21 183634369 ZVGVAQVCCMURJB-UHFFFAOYSA-N 367.428 2.502 0 50 FFAA COc1ccc([C@H](O)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 299771877 ZOABGZYMAZDLJZ-FQEVSTJZSA-N 354.450 2.641 0 50 FFAA COc1ccccc1-c1cccc(C(=O)NCCN2CCC[C@H](CO)C2)c1 828711118 GOCMXHFYGYOWBL-KRWDZBQOSA-N 368.477 2.796 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)NCc2coc(-c3ccccc3)n2)cc1 828157779 OKZNTUDWDVOVNH-UHFFFAOYSA-N 374.404 2.615 0 50 FFAA CC1(C)CC(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC(C)(C)C1 670445006 JBJUSEGFZQXAFK-INIZCTEOSA-N 361.486 2.693 0 50 FFAA O=C([C@@H]1CCc2nncn2CC1)N1CCc2ccccc2[C@H]1c1cccnc1 1875298178 QOIOTMXMPUKHHP-DYESRHJHSA-N 373.460 2.800 0 50 FFAA NC[C@H]1C[C@@H](O)CN1c1cc(NC2CCC(c3ccccc3)CC2)ncn1 1875396775 AMRAAMJAPYAVKP-CSODTCANSA-N 367.497 2.513 0 50 FFAA CC[C@@H](C(=O)NCC/C=C/C(=O)OC)n1nc(C(F)(F)F)c2c1CCC2 1875314070 GDWYEIXGYQNHCF-KFRNIWOLSA-N 373.375 2.577 0 50 FFAA CC(C)CN=c1ccnc(N2CCN(c3nsc4ccccc34)CC2)[nH]1 1875357522 KOXZCCOARRUAQZ-UHFFFAOYSA-N 368.510 2.903 0 50 FFAA O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N(CCO)Cc1ccco1 952971638 ORBVUEAUYUFRHM-IBGZPJMESA-N 360.429 2.967 0 50 FFAA CCc1onc(C)c1NS(=O)(=O)c1cc(OC)c(C(=O)O)cc1Cl 270424907 MORXBOPJCQVMAG-UHFFFAOYSA-N 374.802 2.706 0 50 FFAA CCc1ccccc1OCC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 888103216 QJWGWAHJHCODSA-SJORKVTESA-N 357.454 2.956 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)cs1 1177329273 GAFDDASRCLEORY-LLVKDONJSA-N 364.496 2.735 0 50 FFAA CCC[C@@]1(C)C(=O)NCCN1Cc1nnc(-c2ccc(Cl)cc2)n1C 187296174 PZASIPGFFJZXBS-SFHVURJKSA-N 361.877 2.626 0 50 FFAA CN(C)CCc1nnc(NC(=O)c2ccc([C@@H]3CCCO3)s2)s1 1506402321 WUGPLNZLANNFPH-JTQLQIEISA-N 352.485 2.808 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCCN2C)cc1Cl 1506419663 UWSKGEZFENWCNL-SNVBAGLBSA-N 367.298 2.765 0 50 FFAA CCc1nc(CN(Cc2cccnc2)Cc2ccc3c(c2)OCO3)n[nH]1 1506410590 VUCMLSPBKQUDKT-UHFFFAOYSA-N 351.410 2.693 0 50 FFAA Fc1ccc(-c2n[nH]cc2CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)cc1 1529173767 PJBKVZWGZBXCDE-RTBURBONSA-N 356.445 2.511 0 50 FFAA CC(C)c1cc(C(=O)N2CCCN(C[C@@H](O)c3ccccc3)CC2)on1 1529169067 SICOPLMQDRZUQF-GOSISDBHSA-N 357.454 2.680 0 50 FFAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C(N)=O 1134175 PHOSBMKSVPIHFX-UHFFFAOYSA-N 363.826 2.574 0 50 FFAA CCOc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 817093 YRASDONCDKIMRI-UHFFFAOYSA-N 366.414 2.629 0 50 FFAA CC[C@@H](NC(=O)c1onc2ncccc12)c1ccc(S(C)(=O)=O)cc1 1775978700 BNXKSFIRJCEPMO-CQSZACIVSA-N 359.407 2.507 0 50 FFAA Cc1cccc(-n2cc(CN(C)C[C@@H](O)CO)c(-c3cccc(F)c3)n2)c1 12591448 GUAHLOZDPFOOEP-HXUWFJFHSA-N 369.440 2.772 0 50 FFAA O=C(CCN1CCCC1=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 14978712 LRKMJGUOCKEWDC-KRWDZBQOSA-N 364.449 2.650 0 50 FFAA O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)C2CCCCC2)nn1 14995157 FWGNQXRIOYOHKF-QGZVFWFLSA-N 373.501 2.522 0 50 FFAA Cc1nc(C)c(CN[C@H]2CC(=O)N(CCCc3ccccc3)C2)nc1C 15078402 NWDRSYUSDFGKTF-IBGZPJMESA-N 352.482 2.725 0 50 FFAA COc1cc(-n2nnc(C(=O)Nc3ccccc3OC)c2N)ccc1Cl 16650568 FYABANTXFBLYAR-UHFFFAOYSA-N 373.800 2.772 0 50 FFAA O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(C[C@@H]2CCOC2)CC1 19800232 GFTDFOLBRAVWDY-HNNXBMFYSA-N 354.454 2.764 0 50 FFAA CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 19841760 CSBAUSQJWAEWDU-UHFFFAOYSA-N 374.506 2.764 0 50 FFAA CCOc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(OCC)cc1C 6703314 HBLBLZKAOHDCBY-ZIAGYGMSSA-N 357.472 2.590 0 50 FFAA Cn1nc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)nc1Cl 1857685300 HIHXPPJZPAHIQY-NSHDSACASA-N 352.797 2.539 0 50 FFAA CCCO[C@H]1C[C@@H](C(=O)N(C)Cc2cnc3ccccc3n2)CC[C@@H]1N 1857730524 VPARTEUAWKXQIM-QOKNQOGYSA-N 356.470 2.511 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(CCCOc3ccccc3)C[C@]23CC[C@H]1O3 1857735443 FBJQKLYTXPGSMK-GPQLQYNLSA-N 372.509 2.851 0 50 FFAA CC(C)(C)C1CCC(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 128900645 PXWVYXQFYDRWSD-NTAZQAGHSA-N 372.509 2.762 0 50 FFAA Cc1ccc2ccnc(NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)c2c1 824328569 VMSVZNQQVSFHBY-QWHCGFSZSA-N 351.328 2.796 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 39390527 GUFAFXJZVGABEH-UHFFFAOYSA-N 360.479 2.823 0 50 FFAA COC(=O)N1CCC[C@H](C(=O)N2CC[C@H](c3cn(C)c4ccccc34)C2)C1 2325739103 DCNFMUVHTXSCTP-HOTGVXAUSA-N 369.465 2.973 0 50 FFAA Cc1ccc([C@]23C[C@@H]2CN(CC[C@@H](C(F)F)N2CCOCC2)C3)cc1 2325803855 GNWSGNQZKATHKF-WSTZPKSXSA-N 350.453 2.924 0 50 FFAA C[C@@H]1CCNC(=O)[C@@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2325839620 ZJAJZQWPEBEAPQ-CZUORRHYSA-N 363.417 2.997 0 50 FFAA C[C@H]1c2ccc(Cl)n2CCN1C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 854482836 PBRBROVPXUOGIH-ORAYPTAESA-N 357.841 2.503 0 50 FFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N[C@H](C)c1nc([C@@H](C)O)n[nH]1 2325851700 GTMADRORWFRGFJ-NXEZZACHSA-N 359.817 2.859 0 50 FFAA O=C(NCc1cn2cc(Cl)ccc2n1)Nc1ccc2c(c1)CNCCO2 2325858184 CBNCWZFFZJJWLR-UHFFFAOYSA-N 371.828 2.791 0 50 FFAA O=C1CC(c2ccc(CN3C(=O)c4ccc(F)cc4S3(=O)=O)cc2)C1 2325867473 WXTLRIYUGRQNPS-UHFFFAOYSA-N 359.378 2.617 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)CC1 2325889298 JBUKZMVTGGUKJO-ZDUSSCGKSA-N 368.886 2.726 0 50 FFAA O=C(Nc1ccc2c(c1)C(=O)OC2)c1cc(-n2cnnc2)ccc1Cl 1077744 LMKTXWJKVBVALT-UHFFFAOYSA-N 354.753 2.843 0 50 FFAA CC(C)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1nc2ccccc2[nH]1 2356134905 ICVABKNJPYXJHT-ROUUACIJSA-N 368.481 2.743 0 50 FFAA CCN1C[C@H](CN(C)CC(=O)N[C@@H]2CCCC[C@H]2C)Oc2ccccc21 248070889 AURNTZFOBLLTGS-FGTMMUONSA-N 359.514 2.901 0 50 FFAA Cc1ccc2cc(CN3CCC[C@@H](C(=O)N4CCCC4)C3)c(=O)[nH]c2c1 67742223 LPICUNRDVQPLSJ-QGZVFWFLSA-N 353.466 2.671 0 50 FFAA COC[C@@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)c1cccc(N)c1 55108628 XIRSERQPNFNQLQ-CQSZACIVSA-N 358.438 2.963 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)ccc1F 20995795 MLMQCXWEKVOJBD-KRWDZBQOSA-N 362.445 2.805 0 50 FFAA CC(C)c1nc(N2CCN(Cc3cccc(Cn4cccn4)c3)CC2)no1 67833421 LOLSBUQYESSGTI-UHFFFAOYSA-N 366.469 2.760 0 50 FFAA c1ccc(-c2noc3c2CN(c2cc(N4CCOCC4)ncn2)CC3)cc1 67675687 PJVRAAAHWFENHO-UHFFFAOYSA-N 363.421 2.531 0 50 FFAA OCc1csc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 67821943 BDMJGUXPXPZUCS-UHFFFAOYSA-N 355.419 2.802 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCC[C@H](c2ccn[nH]2)C1 67740915 GCVCMLQKPBKWDF-LBPRGKRZSA-N 361.829 2.783 0 50 FFAA CC1CCN(C[C@H]2CCCN([C@@H](C)C(=O)Nc3nccs3)C2)CC1 118832893 ZCLBWUPARFMOSQ-JKSUJKDBSA-N 350.532 2.914 0 50 FFAA COC(=O)c1c(C)nc(O)nc1S[C@@H](C)c1cn(-c2ccccc2)nn1 471237521 BXCOOPIQEZRPLN-NSHDSACASA-N 371.422 2.711 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3CC(C)=NO3)CC2)c1 67846909 ZSHLZYUZYAUMQJ-SFHVURJKSA-N 368.437 2.956 0 50 FFAA CC(=O)Nc1ccc(-c2cn(CCc3nc(C)c4c(n3)CCC4)nn2)cc1 67606051 PLMHOWHLOMXAAF-UHFFFAOYSA-N 362.437 2.733 0 50 FFAA O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC[C@@H]1c1ccncc1 121839127 PTGXNWUIZNMVDA-GOSISDBHSA-N 371.462 2.599 0 50 FFAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1 1506402295 VWFQTVZAPDDXSQ-SFHVURJKSA-N 374.506 2.865 0 50 FFAA O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 329087536 VHHLIRLYAMWEDK-SECBINFHSA-N 361.452 2.715 0 50 FFAA O=C(O)CSc1nnc(CCc2ccccc2O)n1-c1ccccc1 65407514 HFUPVIVGHSBESO-UHFFFAOYSA-N 355.419 2.935 0 50 FFAA O[C@@]1(CNCCc2csc(-c3cccnc3)n2)CCCN2CCCC[C@@H]21 63855495 CUAUKSBTMIYUEE-UYAOXDASSA-N 372.538 2.717 0 50 FFAA O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(F)cc1 2778309 ANJGBONAQXQGCS-UHFFFAOYSA-N 366.805 2.920 0 50 FFAA Cc1nc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1 72143270 FYPDSXZHDMGLEE-DUXKGJEZSA-N 367.449 2.774 0 50 FFAA COc1cccc(C[C@H]2CN(Cc3cc4ccccc4[nH]c3=O)CCO2)c1 71755253 RASILXKIEAEEAF-FQEVSTJZSA-N 364.445 2.980 0 50 FFAA CC1CCC(Oc2cc(CNC(=O)N3C[C@H]4CC[C@H]3CN4)ccn2)CC1 333336334 XEESPGIUSPLWHP-MKFDVMFOSA-N 358.486 2.685 0 50 FFAA C[C@@](O)(CNC(=O)Nc1cnc2c(c1)COCC2)c1cccc(Cl)c1 363801188 BFVGCFHOZJZINS-GOSISDBHSA-N 361.829 2.837 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)c2c1 363307248 QJYBEESIVWRYAL-AWEZNQCLSA-N 352.438 2.544 0 50 FFAA COc1nnc(CN2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)s1 77428015 NSUGIUTVOOWGLP-SFHVURJKSA-N 364.515 2.694 0 50 FFAA CC(C)c1cc(N2C[C@@H]3C[C@H](C2)CN2C(=O)CCC[C@@H]32)n2nccc2n1 72169205 SVCJSMNKXCJNJZ-VYDXJSESSA-N 353.470 2.690 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 238021245 HUGGUINYSXVEFB-HOCLYGCPSA-N 361.344 2.848 0 50 FFAA Nc1nc2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2s1 32547813 VAGRPXQEBDVTAQ-UHFFFAOYSA-N 356.426 2.980 0 50 FFAA CC(=O)N[C@@H]1CN(c2nc(C)ccc2C(=O)O)C[C@H]1c1ccc(C)cc1 77503862 HFBRFKFEZCWWJT-ZWKOTPCHSA-N 353.422 2.505 0 50 FFAA Cc1nccn1-c1cc(NCCNC(=O)c2ccc(F)cc2Cl)ncn1 72139233 VYEXOHCYFSMAIH-UHFFFAOYSA-N 374.807 2.605 0 50 FFAA Cc1cnccc1N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 77391537 RWFJKQQSSOCNGX-HXUWFJFHSA-N 353.470 2.565 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c2ccc(F)cc2n1 77298937 CZXRIZINNXUJSD-UHFFFAOYSA-N 357.385 2.739 0 50 FFAA C[C@H]1CN(C2CCN(C(=O)Cc3ccccc3Cl)CC2)C[C@@H](C)O1 77523958 VQQJGOQZHMLXSS-GASCZTMLSA-N 350.890 2.983 0 50 FFAA COCCCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40391862 MMGSCZVKXYQLFW-UHFFFAOYSA-N 367.384 2.590 0 50 FFAA O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCOC[C@@H]1CC(F)F 286796789 UNSMESQWCSOKAU-AWEZNQCLSA-N 372.375 2.917 0 50 FFAA COCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cc1 222874490 SODTYFQXYOFFIS-WOJBJXKFSA-N 355.434 2.937 0 50 FFAA Cc1ccc(SCc2ccc(C(=O)N[C@@H]3[C@@H](N)[C@H]4CCO[C@H]43)o2)cc1 223262004 MFOPSAKXTLBIOU-BZZMCLGOSA-N 358.463 2.725 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccccc3)on1)C2 221417330 ABQQEXLHUAKPRO-CYBMUJFWSA-N 352.394 2.638 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)n1 223936876 HIZZGBJHJOBOPP-UHFFFAOYSA-N 366.465 2.795 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 225714252 MHACSZDDSGFEPR-WISYIIOYSA-N 359.712 2.534 0 50 FFAA Cc1nnc(SCCNC(=O)CCn2c(C)nc3ccccc32)s1 222552299 HDOOPJNFIJULHY-UHFFFAOYSA-N 361.496 2.803 0 50 FFAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1ccc(-c2ccccc2CO)cc1 426737584 YFXWBWNZCGTXAL-IBGZPJMESA-N 366.461 2.975 0 50 FFAA Cc1cccc2c1OC[C@H](NC(=O)NCc1cn(C)nc1C(F)(F)F)C2 290974242 IVVZKDCESGVFRG-CYBMUJFWSA-N 368.359 2.550 0 50 FFAA C[C@@H](c1ccc(-c2nc(N3CCOCC3)n(C)n2)cc1)N1CCCCC1 426674348 WUTNAOOLUPCEIY-INIZCTEOSA-N 355.486 2.866 0 50 FFAA Cc1noc(C)c1CNC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 223217645 IIOQJUHTGIGPDX-GFCCVEGCSA-N 368.359 2.848 0 50 FFAA O=C(NCCn1ccnc1)[C@H]1CC12CCN(C/C=C/c1ccccc1)CC2 42460185 QYTDFVBRXBYGIT-WWPOYFSUSA-N 364.493 2.815 0 50 FFAA Cc1cc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)c2ccc(F)cc2n1 82109196 KGHHDZWVCBDMRI-INIZCTEOSA-N 370.384 2.889 0 50 FFAA O=C(c1ccnc(OCC(F)F)c1)N1CCO[C@@H](c2cccc(O)c2)C1 179318739 LUAKVMLSVVJYPE-OAHLLOKOSA-N 364.348 2.645 0 50 FFAA COc1cccc2c1OCCCN(C(=O)N[C@H](C)CCn1cccn1)C2 426392719 FSZXWSCUHWMXPN-OAHLLOKOSA-N 358.442 2.665 0 50 FFAA CN(C)[C@@H](C(=O)NCCN1CCCc2ccccc21)c1ccccc1F 95388966 LIXGRVDFCOZAKP-HXUWFJFHSA-N 355.457 2.997 0 50 FFAA O=C(COCc1nc2ccccc2[nH]1)N1CCC(CCn2cccn2)CC1 91724777 SSVLGCWVJLJPRP-UHFFFAOYSA-N 367.453 2.605 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)N3CCN(Cc4nccn4C)CC3)c(C)c2c1 91757251 CWFPUARBFZHUEZ-UHFFFAOYSA-N 365.481 2.785 0 50 FFAA O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@H]1c1nccs1 95497326 BYHLEXJECORAKR-NSHDSACASA-N 357.357 2.687 0 50 FFAA Cc1ccc(CN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cc1F 95376106 VURZRJCYVGRYJR-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2cccc([C@H]3CCCNC3)c2)CC1 95391947 ZGYRNOPXWDMWKR-KRWDZBQOSA-N 359.470 2.504 0 50 FFAA CC[C@H](c1nc(-c2ccco2)nn1CC(=O)O)N1Cc2ccccc2C1=O 97495278 UXSOHPRIPHONRD-CQSZACIVSA-N 366.377 2.730 0 50 FFAA Cn1cccc1-c1cc(C(=O)NCc2cnn(-c3cccc(F)c3)c2)[nH]n1 91486699 OZKPLVYXMXEJJW-UHFFFAOYSA-N 364.384 2.670 0 50 FFAA COc1cccc2ccc(N3CCN(Cc4ccccc4)C[C@H](O)C3)nc12 95524262 PUNVEVRJWCOUNL-IBGZPJMESA-N 363.461 2.927 0 50 FFAA O=C1CCC2(CCN(Cc3ccc4ncccc4c3)CC2)CN1CCCO 91707451 ZUEBHJJSOAMAKW-UHFFFAOYSA-N 367.493 2.822 0 50 FFAA O=C(NCc1csc2c1CCCC2)c1coc(CN2CCOCC2)c1 97553295 MXFMZQRJDIYSIU-UHFFFAOYSA-N 360.479 2.982 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 97272359 LAAJJMOYEOAONM-SFHVURJKSA-N 369.509 2.887 0 50 FFAA O=C(c1cnc(C2CC2)[nH]c1=O)N(Cc1ccccc1)Cc1nccs1 91895091 LAGLSYUDNXVMLZ-UHFFFAOYSA-N 366.446 2.946 0 50 FFAA O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)C1C[C@@H]2CCC[C@H](C1)C2=O 180931395 POCWRDSNZKVMAZ-KJFZJZGVSA-N 354.450 2.583 0 50 FFAA CCCc1nc(C)cc(N2CCC(N(C)CCCn3cccn3)CC2)n1 95510667 MEACGVGLZQWYLX-UHFFFAOYSA-N 356.518 2.925 0 50 FFAA Cc1nccn1CC1CCN(C(=O)CN2CC[C@H](c3ccccc3)C2)CC1 230517158 WDMCOFGGUIQTRO-NRFANRHFSA-N 366.509 2.920 0 50 FFAA CCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCOc3ccccc3C2)c1=O 97492388 GKTRJNNKEWZKQM-MRXNPFEDSA-N 354.450 2.856 0 50 FFAA FC(F)(F)c1ccc(CN2CCCO[C@@H](CN3CCOCC3)C2)cc1 97759230 RBFAXSHOCFDIJG-KRWDZBQOSA-N 358.404 2.629 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCc1cc(-c2cccnc2)no1 95368048 JELQBDWPQJZBFB-UHFFFAOYSA-N 359.389 2.917 0 50 FFAA CN(C)C(=O)c1ccc(CN2CCn3nc(Cc4ccccc4)cc3C2)o1 97578441 JQWXPZRBPPHMQP-UHFFFAOYSA-N 364.449 2.785 0 50 FFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccccc1N1CCOCC1 244708018 KMBHRHFQXBCDDZ-LVCYWYKZSA-N 366.461 2.765 0 50 FFAA COc1ccccc1CCC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 299061099 NMFMSOZWLBWIIL-GOSISDBHSA-N 352.434 2.718 0 50 FFAA CSCC[C@@H](NC(=O)c1c(C)cc(C)nc1O)c1nnc2ccccn12 252486167 HIJMRGMONSETFE-CYBMUJFWSA-N 371.466 2.671 0 50 FFAA Cc1cc(C)n(CCC(=O)NCCN2CC[C@@H](c3ccccc3C)C2)n1 252500656 SZWOJRZCYLEPCI-LJQANCHMSA-N 354.498 2.804 0 50 FFAA CCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1nc2c(s1)CCCC2 534576158 DMGQEPJERDZAEA-NSHDSACASA-N 354.501 2.586 0 50 FFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)NC[C@@H]1COCCO1 299775975 MUZSDHQXCTUDDQ-MRXNPFEDSA-N 361.442 2.661 0 50 FFAA Cc1ccccc1OCCNC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 584898152 QAUUCCRYTOQMHF-HXUWFJFHSA-N 369.465 2.924 0 50 FFAA Cc1ccccc1CNC[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cnn(C)c1 952852680 IAMXIBUZXQQGIY-UTKZUKDTSA-N 352.482 2.960 0 50 FFAA CC1(C)CN(C(=O)CCc2ccc(O)nc2)[C@H]1c1nccn1CC1CC1 952890958 OYFBOUORMFLOSN-SFHVURJKSA-N 354.454 2.936 0 50 FFAA CN(C)CCc1ccc(C(=O)N2[C@@H](C(N)=O)CC[C@@H]2c2ccccc2)cc1 1875266971 VPTNFMZFIHNWFB-WOJBJXKFSA-N 365.477 2.622 0 50 FFAA COC(=O)[C@H](CC1CCC1)NC(=O)c1ccc(-n2nc(C)cc2C)cc1 1875262319 JAVJXCOYYFFESB-SFHVURJKSA-N 355.438 2.951 0 50 FFAA CCn1cc(C(=O)N2C[C@@H](NC(=O)C3(C)CC3)CC[C@@H]2C)c(C2CC2)n1 1875406731 KXPCYLXYDBZZTR-ZFWWWQNUSA-N 358.486 2.690 0 50 FFAA Cc1nnccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(C(F)F)c1 1875406669 JOICOZCIRHJHIH-HOTGVXAUSA-N 358.392 2.822 0 50 FFAA CN(C[C@H]1CCN(c2ccccc2)C1)S(=O)(=O)N1CCC(C)(C)CC1 952973055 WBZUWQSEFISZNP-QGZVFWFLSA-N 365.543 2.812 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCCN3CCCC[C@H]23)cc1NC(=O)CN(C)C 952974998 GLYHLFICIXQITK-IEBWSBKVSA-N 372.513 2.698 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565516486 NGFKCPSHSBXVEX-PMACEKPBSA-N 373.424 2.603 0 50 FFAA Fc1ccc(-n2ccc(-c3nc([C@H]4CN5CCCC[C@@H]5CO4)no3)n2)cc1 278133066 RFTDDZKBOSGWOQ-NVXWUHKLSA-N 369.400 2.987 0 50 FFAA CC[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C[C@@H]1O 222007533 CFHTYTCOKZILPA-RNEBZRLMSA-N 356.304 2.950 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 192412087 VVHIHSRDHDEMQZ-PELKAZGASA-N 357.193 2.714 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCC2C(C)(C)C2(C)C)OCC(=O)N1C 1529179117 VMYYKJNJEOQCBC-MSOLQXFVSA-N 358.482 2.692 0 50 FFAA CCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1196017 UATDSMZEKIZHMW-UHFFFAOYSA-N 369.490 2.876 0 50 FFAA CN1CC[C@](C)(C(=O)N2CCCN(c3ccc4ccccc4n3)CC2)C1 1772814300 RNFDMDSOFBHBMS-NRFANRHFSA-N 352.482 2.615 0 50 FFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(F)cc3)C2)c1 5030453 VRNOZPDIRAQLFB-GOSISDBHSA-N 358.369 2.652 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3cccn3-c3cccnc3)C2)C1 11821188 BEFRFOQKFJEZQA-NRFANRHFSA-N 354.498 2.807 0 50 FFAA COc1cccc(CCN2C(=O)CC[C@@H]2CCNCc2cccnc2)c1 12159201 XTGRGQBQJFDYNM-LJQANCHMSA-N 353.466 2.804 0 50 FFAA COc1ccc(OCc2cc(C(=O)N(C)[C@H]3CCOC3)no2)c(Cl)c1 12298621 GJICFIBVVSKIHF-NSHDSACASA-N 366.801 2.777 0 50 FFAA O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCC(=O)N(C2CC2)C1 12458365 ANIRQSTYZYPTRI-AWEZNQCLSA-N 355.463 2.827 0 50 FFAA CN1CCC(N2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)CC1 12752343 JGKGIZALNFNTBN-KRWDZBQOSA-N 363.933 2.805 0 50 FFAA CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 14959649 CREJPOFPELLSMK-SFHVURJKSA-N 355.486 2.560 0 50 FFAA O=C(c1ccc(N2CCCC2)nc1)N1CCC(CCn2cccn2)CC1 15080034 KVWJRAWNHMOFLT-UHFFFAOYSA-N 353.470 2.821 0 50 FFAA CC(=O)c1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccn2)cs1 19840387 MJJMMAAOCSSTCI-QGZVFWFLSA-N 352.419 2.857 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 7109203 JCQKEPFNKKJBFL-UHFFFAOYSA-N 359.495 2.856 0 50 FFAA O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(c2ccccc2)C1 6744387 GVSFAQOFSPVDIL-QMMMGPOBSA-N 356.329 2.549 0 50 FFAA CCN1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 6764245 HBIBLIUDOKJUAP-UHFFFAOYSA-N 356.861 2.670 0 50 FFAA Cc1nc(O)cc([C@H]2CCCN(c3cc(C(N)=O)c4ccccc4n3)C2)n1 1857676254 MRCOWSWZZZEFLZ-ZDUSSCGKSA-N 363.421 2.522 0 50 FFAA COc1ccc2c(C)c(C(=O)N3C[C@@H](C(=O)O)C4(CCOCC4)C3)oc2c1 1857688097 UEIASGBKVIZLEF-HNNXBMFYSA-N 373.405 2.703 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccc3nn[nH]c3c1)CC2 1857710515 BBMLMSBKBSTPFW-UHFFFAOYSA-N 372.432 2.599 0 50 FFAA COc1ccc2oc(N3CCC[C@H](CC(=O)NCC4(C)COC4)C3)nc2c1 1857726751 AVXHHEBPSWBLCP-CQSZACIVSA-N 373.453 2.596 0 50 FFAA CCc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 1857735368 ATAUKULMBJQGNO-LSDHHAIUSA-N 366.446 2.551 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)c2cccc3nccnc23)C[C@@H]1C(=O)O 212016797 URTSRWQXMYDVRU-SJORKVTESA-N 361.401 2.879 0 50 FFAA CC(C)n1ncnc1Cn1c(=O)oc2cc(F)c(Br)cc21 331580873 LTYQMECQPGIPPL-UHFFFAOYSA-N 355.167 2.717 0 50 FFAA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 252383323 IEOLDSBHYKJJDA-MGPQQGTHSA-N 356.463 2.543 0 50 FFAA O=C(NC[C@H]1CC2(CCNCC2)CO1)N(CCC(F)(F)F)CC1CC1 892775183 XNKQULCACCHGDV-CQSZACIVSA-N 363.424 2.519 0 50 FFAA COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 917216 DETTVSKMTKPACJ-UHFFFAOYSA-N 360.435 2.732 0 50 FFAA Cc1nc(=NC[C@@H](O)COc2ccc(F)c(C)c2Cl)[nH]c(C)c1C 2356154407 VAPMYMGPJQNCKA-CYBMUJFWSA-N 353.825 2.776 0 50 FFAA COc1ccc(CN2CCC3(CC2)OCCc2sc(C(=O)O)cc23)cn1 2356158365 ZARMUYYBKWLUMO-UHFFFAOYSA-N 374.462 2.914 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2cnn3cc(C)ccc23)C1=O 2356169350 QSFLARRXJOOBCM-FQEVSTJZSA-N 354.454 2.650 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2C(=O)c2ccccc2)C1 4035507 LOHCDRGRUVWSLV-KRWDZBQOSA-N 368.433 2.521 0 50 FFAA COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(C)=O)c(OC)c1OC 22781258 NEXDYNIRBKKKOQ-XAUMDUMWSA-N 363.454 2.927 0 50 FFAA COc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)nn1 282620083 ZTZQDMGCONDANW-SWLSCSKDSA-N 353.344 2.812 0 50 FFAA O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC[C@@H]1c1ncc[nH]1 116584027 AGYBFZUEZDBCDZ-QZTJIDSGSA-N 353.470 2.771 0 50 FFAA CCOC[C@@H]1CCCN1C(=O)c1cc(CN(C)Cc2ccccc2)on1 67689293 BNMLTEIVMVNIIJ-KRWDZBQOSA-N 357.454 2.948 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(Cn2cncn2)c1 56724353 QKJJCTRTVZQQEU-KRWDZBQOSA-N 367.457 2.759 0 50 FFAA CCCCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 67790683 CQDYONCBKKAQGF-OAHLLOKOSA-N 357.458 2.640 0 50 FFAA COc1cccc(CCNc2nc(CCN)nc3ccccc23)c1OC 65393591 FKGRFCANRBRDTM-UHFFFAOYSA-N 352.438 2.803 0 50 FFAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)[C@@H]1C=CCN1)C2 67872262 ZRXWLFJBINFTQV-INIZCTEOSA-N 370.474 2.981 0 50 FFAA Cc1nnc(CNC2CCN(c3cccc(-c4nnc(C)s4)c3)CC2)o1 23145530 UJNKOHUKEPBNMO-UHFFFAOYSA-N 370.482 2.964 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2nc3cc(F)ccc3o2)n1 328628677 HMFUHXKNFRRPEV-CYBMUJFWSA-N 371.372 2.579 0 50 FFAA Cc1nccn1CCC1CCN(C[C@]2(O)CCCN3CCCC[C@@H]32)CC1 63882829 UVYKEGZXUFPYHN-NHCUHLMSSA-N 360.546 2.673 0 50 FFAA Cc1ccc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)c(O)n1 328650214 VKEHVTJSQULWCE-KBPBESRZSA-N 363.458 2.842 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)CC2(CO)CCC2)no1 67756477 WQJZXOYOMULABE-UHFFFAOYSA-N 357.454 2.541 0 50 FFAA CSc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1 328603560 GNRGEKXIFVLYOB-CQSZACIVSA-N 372.494 2.853 0 50 FFAA COc1ccc(OC)c(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1 2777249 GOQSCESISYWZQZ-UHFFFAOYSA-N 368.846 2.526 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COCCN1C1CCCC1 329037990 ZKRIFULECBVFKG-BNDYYXHWSA-N 364.530 2.562 0 50 FFAA CSCCCN1C(=O)CC[C@H]2CN(c3noc(C(C)C)n3)CC[C@H]21 72473168 GOBMTNOHURXURD-UONOGXRCSA-N 352.504 2.763 0 50 FFAA CCOC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 35999937 CNCIUXNXQQGZJH-FQEVSTJZSA-N 366.461 2.572 0 50 FFAA COc1ccc(C(=O)N2CCN(C(=O)NCCC3=CCCC3)CC2)cc1 125773525 KCZQSJWMVXCBQT-UHFFFAOYSA-N 357.454 2.663 0 50 FFAA CCCc1cncnc1N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 72163518 SOASUEJFDQREMJ-SFHVURJKSA-N 352.486 2.962 0 50 FFAA Cc1ccnn1CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 72453745 WIKKKRPCKQIBHN-UHFFFAOYSA-N 355.467 2.540 0 50 FFAA O=C1CN(Cc2ccc(F)cc2)C(=O)N1C[C@H]1OCCc2ccccc21 370112732 PSRHCAPSBQCEPT-GOSISDBHSA-N 354.381 2.904 0 50 FFAA Cc1n[nH]c(C)c1CCNC(=O)C1(N2CCCCC2)Cc2ccccc2C1 72165750 HCXCQCAKHFOABL-UHFFFAOYSA-N 366.509 2.709 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)O)CO2 262968393 OMINAGBWVBGVDQ-PBHICJAKSA-N 369.417 2.748 0 50 FFAA Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C)c1nnnn1C1CC1 241719804 QPTTUOQYKPPUFC-LLVKDONJSA-N 354.439 2.931 0 50 FFAA Cc1cccc(C)c1OCC(=O)N1CCC(n2ncc(C(=O)O)c2C)CC1 263287461 ZPNFKZJBDZQQKP-UHFFFAOYSA-N 371.437 2.749 0 50 FFAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCN(c2ccc(F)cc2)CC1 72131800 IEMQVQSDFFHCAZ-MRXNPFEDSA-N 353.441 2.865 0 50 FFAA CCn1c(C)ccc(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)c1=O 72157277 DFDCYRGHFGVGCC-MRXNPFEDSA-N 368.433 2.580 0 50 FFAA COc1ncc(C)cc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1 174982879 FNUGLWQAHGRKLQ-UHFFFAOYSA-N 368.437 2.825 0 50 FFAA OCCN1CCC[C@@H](CNc2cc(-c3ccccc3)nc3ccnn23)C1 72172766 YDPGVKCQGFSXHD-INIZCTEOSA-N 351.454 2.513 0 50 FFAA c1cncc(CN2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)c1 77538123 KXUSQDRHLYEKKR-UHFFFAOYSA-N 366.513 2.983 0 50 FFAA C[C@@H]1CN(CC(=O)N[C@H]2CCOc3ccccc32)c2ccccc2NC1=O 245492876 KJDFMODXVSKEBR-ZBFHGGJFSA-N 365.433 2.721 0 50 FFAA CCCCc1cc(NC(=O)C[C@H]2CN(Cc3ccccc3)CCO2)[nH]n1 175772352 LJVFTXQPGLGSGK-SFHVURJKSA-N 356.470 2.982 0 50 FFAA CC(C)(C)n1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)c1 223493938 IWABSYQTYWMVPG-CVEARBPZSA-N 363.483 2.804 0 50 FFAA CC(C)Cc1cc(C(=O)NCc2coc(-c3ccccc3)n2)nc(=O)[nH]1 221420510 PXOOKEVRJURNHV-UHFFFAOYSA-N 352.394 2.553 0 50 FFAA O=C(c1cn2ccccc2n1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 291876824 JCSMPZMZCQCHJZ-FQEVSTJZSA-N 353.397 2.541 0 50 FFAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(-c2ccc(Cl)cn2)cc1 426574667 DXLSYAHNXRLFTN-OALUTQOASA-N 371.868 2.995 0 50 FFAA Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 195338155 FDKJSJGIAQCACZ-WDYSCTGBSA-N 365.429 2.652 0 50 FFAA O=C(NCCc1cnn(-c2ccccc2)c1)c1scc2c1OCCO2 223920602 OOZZZSDRSGSNQM-UHFFFAOYSA-N 355.419 2.678 0 50 FFAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 136488623 KXORQIHAZJVXMA-ZDUSSCGKSA-N 367.327 2.970 0 50 FFAA CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)CCc1cnn(C)c1)CC2 95509899 YDWKOCJPEKIOAW-FQEVSTJZSA-N 366.509 2.833 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)CC[C@H]3CCCCN3C)[nH]c2c1 95362833 WLYGWQNCLNTDMG-OAHLLOKOSA-N 358.486 2.837 0 50 FFAA O=C(NCCOCc1ccc(Cl)cc1)C1CCN(C(=O)C2CC2)CC1 91289127 SYNZULKMKVBOSK-UHFFFAOYSA-N 364.873 2.621 0 50 FFAA CNC(=O)Cc1cccc(NC(=O)N(C)CCCN2CCCCCC2)c1 97360243 JGYJBJIOPSUDCY-UHFFFAOYSA-N 360.502 2.705 0 50 FFAA O=C1C[C@@H](C(=O)NCc2csc(N3CCCC3)n2)c2cc(F)ccc2N1 92046695 ORSOVTCXQXFVGQ-CQSZACIVSA-N 374.441 2.625 0 50 FFAA O=C(CC1CC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95361269 GFFSGKXSEADTRZ-ZLGUVYLKSA-N 354.450 2.604 0 50 FFAA O=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@H]2CCCO2)s1 91644690 PPRIOPKVPQVWEF-OAHLLOKOSA-N 364.511 2.974 0 50 FFAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1cccnc1=O 97446894 FVLOMWLQVWZJDQ-IBGZPJMESA-N 350.422 2.507 0 50 FFAA CCc1cc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)no1 92021697 KMBNPEAZDSQWFG-UHFFFAOYSA-N 371.485 2.606 0 50 FFAA COc1ccc(C(C)C)cc1CN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95361733 QJQIUVPNKGMNTJ-QFIPXVFZSA-N 373.541 2.947 0 50 FFAA O=C(Nc1cccc(OCCCc2ccccc2)c1)N1CCOC[C@@H](O)C1 96136563 QLOCBKWXTRVOGY-IBGZPJMESA-N 370.449 2.923 0 50 FFAA CC(=O)Nc1ccccc1NC(=O)CN(C)[C@@H](C)[C@@H](O)c1ccccc1 244691979 JMIQMVAAZWYOLF-VBKZILBWSA-N 355.438 2.637 0 50 FFAA O[C@@]1(c2ccccc2)CCN(Cc2nc3ncccn3n2)[C@@H]2CCCC[C@@H]21 244866360 VURZQFFNVHVTGN-WAOWUJCRSA-N 363.465 2.777 0 50 FFAA CCc1nc(CCNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)no1 244874278 WXZAYULKBJVKCA-HXUWFJFHSA-N 373.453 2.705 0 50 FFAA Cc1ccc(C)n1CCC(=O)N1CCC(c2nnc3ccccn23)CC1 253410533 NLRZTZDJPFWJTE-UHFFFAOYSA-N 351.454 2.944 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1cccc(-c2nnc(C)[nH]2)c1 299769149 KBECNRTXBJGWSA-INIZCTEOSA-N 370.457 2.645 0 50 FFAA Cc1ccccc1OC[C@H]1CCCN(c2nc(N)c3cnn(C)c3n2)C1 825236170 HQMUSJDEWXNXIP-AWEZNQCLSA-N 352.442 2.549 0 50 FFAA CC(C)c1cc(N2CC[C@H](C)[C@@H](NC(=O)C(F)(F)F)C2)nc(N(C)C)n1 1875267562 LOQXUQYQVKSPPN-AAEUAGOBSA-N 373.423 2.559 0 50 FFAA Cc1ncn(-c2ccc(CN[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)cc2)c1C 1875399406 BJSDSFOEWCROJO-CEWLAPEOSA-N 365.481 2.615 0 50 FFAA COc1cccc(C(C)(C)C(=O)N=[S@]2(=O)CCC[C@@]3(CCCN3)C2)c1 1875393563 OSLKEQDQLITOLP-DFBJGRDBSA-N 364.511 2.883 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1 1875306848 DODBPQAFAXJWIP-VIFPVBQESA-N 369.347 2.766 0 50 FFAA CCn1nccc1C1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875395525 ZQJQUGCBDGXUKU-QWHCGFSZSA-N 357.458 2.668 0 50 FFAA C=CC(=O)N[C@H](CCN(C)C(=O)c1nn(C)c2ccc(F)cc12)C(C)C 1875386118 JFCDLRSNOSXVSP-OAHLLOKOSA-N 360.433 2.501 0 50 FFAA C=CC(=O)N1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 1875381239 OEFJXFKDAFFZFO-NHYWBVRUSA-N 371.264 2.662 0 50 FFAA Cc1cc(N2CCC[C@](O)(Cc3nc(C)no3)C2)c2cc(F)ccc2n1 886079083 HDHAVZZCLARTND-IBGZPJMESA-N 356.401 2.948 0 50 FFAA COc1ccc2c(c1)OCC[C@H]2NC(=O)CCc1nc2cccnc2[nH]1 1323168071 IGDWRNRYTQAXSD-CQSZACIVSA-N 352.394 2.539 0 50 FFAA COC(=O)[C@@H]1CC12CCN(C(=O)Nc1cc(F)c(OC)cc1C)CC2 274927638 WOFNCHLZFSXXFH-LBPRGKRZSA-N 350.390 2.950 0 50 FFAA Cc1nc(C(=O)NS(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)cs1 170628846 QAMRDNDOFKPPED-SSDOTTSWSA-N 372.855 2.547 0 50 FFAA CN(CC(=O)O)C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 186624298 CEMXSTXSBQBRLG-UHFFFAOYSA-N 358.482 2.968 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)cc1 752419333 PFOFBRWDINVCGK-FQEVSTJZSA-N 364.445 2.573 0 50 FFAA COc1ccc(C2(C(=O)NC[C@H](O)c3cccc(C)c3)CCOCC2)cc1 769304048 KGVSOQACXOJYNM-FQEVSTJZSA-N 369.461 2.902 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2ccccc2-c2nccn2C)CC1 1506422754 DIGPSYYHXAPKLX-UHFFFAOYSA-N 364.453 2.803 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1 1529091071 NRSMSHWNFNUOCL-IXDOHACOSA-N 358.482 2.868 0 50 FFAA COc1ccnc(N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)n1 1704313300 IJMMAMZATZILTE-UHFFFAOYSA-N 371.437 2.571 0 50 FFAA O=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 818939 DGFURMWXGGKROK-UHFFFAOYSA-N 364.511 2.631 0 50 FFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)ccc1O 828845 AXQWDBVDYYCGPI-SFHVURJKSA-N 367.405 2.976 0 50 FFAA COCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 12198828 GLIQZMBAVOLAKA-AWEZNQCLSA-N 352.862 2.621 0 50 FFAA O=C(NCc1ccsc1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12299772 WYSIGKVRWISXKU-UHFFFAOYSA-N 357.391 2.709 0 50 FFAA Cc1ccccc1CN1CCC[C@@H](n2cc(C(=O)N3CCCC3)nn2)C1 14982732 RIGGHANRAHRBQW-GOSISDBHSA-N 353.470 2.660 0 50 FFAA CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 905254 ANAAYHVZFHUHKH-UHFFFAOYSA-N 360.468 2.856 0 50 FFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)Cc1cccs1 1857672050 GRAGUFLXIBGSCA-XAUMDUMWSA-N 354.475 2.768 0 50 FFAA O=C(CCO)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857740400 HUBAPGJCRCPZDW-FQEVSTJZSA-N 374.525 2.857 0 50 FFAA CC(C)C[C@H]1C(O)=NCCCN1S(=O)(=O)c1ccc2c(c1)CCCO2 330361386 YFUOKJYREMTIDR-INIZCTEOSA-N 366.483 2.777 0 50 FFAA CC(=O)N1CCC(CNC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CC1 363492061 ZVOULVLUGWENNP-IBGZPJMESA-N 361.461 2.801 0 50 FFAA CCN1CC[C@@]2(CO)CCCN(C(=O)CCCC(=O)c3ccccc3)[C@@H]2C1 1704315252 YTVLAZKDKMARTJ-IFMALSPDSA-N 372.509 2.735 0 50 FFAA COCCc1nc(-c2cnn3c2CCC[C@@H]3C)n([C@H]2CCOC2(C)C)n1 2325849239 JJGUZKKCUSRLFN-BBRMVZONSA-N 359.474 2.968 0 50 FFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 634748 GWLPAWQBHJVCLE-UHFFFAOYSA-N 372.406 2.740 0 50 FFAA CCn1ccc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)n1 2356145750 USTZFUUUFNQSRZ-LBPRGKRZSA-N 370.844 2.918 0 50 FFAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@]12CCCN2CCc1ccccc1 2356148031 DHADGSLTRLUANV-KCZVDYSFSA-N 356.510 2.990 0 50 FFAA COC(=O)c1ccccc1C(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 2356160128 FAWZTIMUOCVKBW-NRFANRHFSA-N 365.433 2.692 0 50 FFAA O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 4134794 GMYYZRSOBBZPTI-UHFFFAOYSA-N 355.375 2.840 0 50 FFAA O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 7069583 SODWYBFGKCRJFO-ZDUSSCGKSA-N 350.465 2.788 0 50 FFAA Cc1nc(NCC[C@@H]2COc3ccccc3O2)cc(C2CCNCC2)n1 67983019 MGTQATRCHGXWFN-MRXNPFEDSA-N 354.454 2.894 0 50 FFAA CCCN(Cc1ccccc1OC)C(=O)c1cc(C(C)=O)c(C)[nH]c1=O 55090598 LBHIWFFLKZGJJC-UHFFFAOYSA-N 356.422 2.947 0 50 FFAA CN(C)C(=O)CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67563009 OMAXQICOYCLDOX-UHFFFAOYSA-N 360.841 2.995 0 50 FFAA CCN1CC[C@@H](N(C)C(=O)Nc2cccc(N3CCOC3=O)c2)C[C@H]1C 252674725 SKHIXKVJXZDUML-GDBMZVCRSA-N 360.458 2.980 0 50 FFAA CCC[C@@H]1C(=O)NCCN1C(=O)c1sc(-c2ccc(F)cc2)nc1C 122113745 ATXBLVLMMMWTJT-CQSZACIVSA-N 361.442 2.998 0 50 FFAA Cc1nc(CN(C)[C@@H]2CCCN(C(=O)CCc3ccccc3)CC2)no1 328641591 QPXYWSRQQUKYEZ-GOSISDBHSA-N 356.470 2.824 0 50 FFAA CC[C@H]1CN(C(=O)Cc2cc(C)no2)CCC(=O)N1Cc1ccccc1 71738613 WJDGFOJGJAVPNC-KRWDZBQOSA-N 355.438 2.565 0 50 FFAA CC(C)CN(C)CCCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O 72470156 PRVKHGPARFNIAK-UHFFFAOYSA-N 365.518 2.578 0 50 FFAA C[C@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc2nc(O)oc2c1 332668021 YPXVTICOZBPZPA-WCBMZHEXSA-N 364.345 2.885 0 50 FFAA CCOc1ccc(-c2ccnc(NCCc3c[nH]cn3)n2)cc1C(=O)O 72426677 SKLXADIHIHNUFC-UHFFFAOYSA-N 353.382 2.618 0 50 FFAA CCN(CC)CCNC(=O)c1cccc(NC(=O)c2cc(C)nn2CC)c1 154257991 GEYBDTJYHLFMRV-UHFFFAOYSA-N 371.485 2.535 0 50 FFAA CCC[C@H](C)N1CC2(CCN(Cc3cnc(N(C)C)nc3)CC2)OC1=O 72408660 YPHPNQITNWKQSK-HNNXBMFYSA-N 361.490 2.518 0 50 FFAA CSc1nc2ncc3c(=O)n(-c4ccc(F)c(Cl)c4)ccc3n2n1 30875339 HTZGHRDOCJYCOI-UHFFFAOYSA-N 361.789 2.943 0 50 FFAA Cc1ncc(C)c(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1 72473084 YDYXWRPCOFBTLG-UHFFFAOYSA-N 367.409 2.630 0 50 FFAA Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCC[C@H]2C(=O)O)cs1 237696876 GNBNWSLPRQTNTO-KRWDZBQOSA-N 371.462 2.557 0 50 FFAA CC(C)c1cc(N2CCCN(C(=O)c3ccoc3)CC2)n2nccc2n1 72435481 YZZVQLXQWISTNP-UHFFFAOYSA-N 353.426 2.798 0 50 FFAA O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccncc3)c12 30907109 SMDIFAOSDINZQK-UHFFFAOYSA-N 355.401 2.943 0 50 FFAA Cc1nn(C)c(OCC(F)(F)F)c1CN1CC[C@@H](CN2CCCC2)C1 129930055 KAZHCIPBUSJILW-AWEZNQCLSA-N 360.424 2.587 0 50 FFAA Cc1ccccc1[C@H](Cn1ccnc1-c1cc2n(n1)CCCNC2)N(C)C 72422069 UKGMXAOFYOKNOX-FQEVSTJZSA-N 364.497 2.851 0 50 FFAA Cc1ccc2nc(C)c(C(=O)N3CCN(C4CCSCC4)CC3)n2c1 215947731 IHUQFQDJCYERQC-UHFFFAOYSA-N 358.511 2.605 0 50 FFAA COC(=O)c1ccc(CNC(=O)CN2CCCCC[C@H]2c2ccco2)o1 77321185 GTFDDGDBFKNLKQ-HNNXBMFYSA-N 360.410 2.893 0 50 FFAA Cc1ccc(CNc2nc(C)nc3c2cnn3C)c(O[C@H]2CCOC2)c1 177098055 RRLKFWPTPFKMEZ-HNNXBMFYSA-N 353.426 2.760 0 50 FFAA CC(C)c1nc(CN(C)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)no1 426628324 SOEDTODHOKOQTE-INIZCTEOSA-N 368.441 2.972 0 50 FFAA NC1CC(c2cc(N3CCN(c4ccc(F)c(Cl)c4)CC3)ncn2)C1 222880647 CUISACVCRSXIMQ-UHFFFAOYSA-N 361.852 2.800 0 50 FFAA COc1ccc(C(=O)CCC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 220493915 LMPJISFGRRFGIN-MRXNPFEDSA-N 355.438 2.793 0 50 FFAA O=C(Cn1nccc1[C@H]1CCCNC1)N1CC=C(c2ccccc2)CC1 426509276 DICUFGNGAORSBG-IBGZPJMESA-N 350.466 2.666 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@@H](c2ccccc2)n2cnnn2)cs1 220623460 RYFCJCCTZBHGKI-OAHLLOKOSA-N 356.455 2.501 0 50 FFAA C[C@@H](CCC(=O)N1CCC(OCc2ccccc2)CC1)N1CCOCC1 82098873 UPJSKRSVYKJKMO-SFHVURJKSA-N 360.498 2.695 0 50 FFAA CCCc1cc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)no1 295887682 CMLFTJZUCJIPJB-CABZTGNLSA-N 354.453 2.726 0 50 FFAA O=C(CN1C(=O)OC[C@@H]1c1ccccc1)N1CC(OCc2ccccc2)C1 95499875 YMDIAYPIHFFZFY-LJQANCHMSA-N 366.417 2.608 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c(O)c1 91434230 RRFVEKMLBYMUAO-DLBZAZTESA-N 367.449 2.532 0 50 FFAA O=C(c1cccc(Cn2cccn2)c1)N1CCC(N2CCSCC2)CC1 92028793 KSSKASBQGMSTOH-UHFFFAOYSA-N 370.522 2.585 0 50 FFAA CC1(C)CN(Cc2cccc(Cl)c2)CC[C@]1(O)CN1CCOCC1 91872851 VPRKQUFXDUNYCF-IBGZPJMESA-N 352.906 2.635 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 95521107 DEAXUDUGBSPOBD-GOSISDBHSA-N 370.497 2.544 0 50 FFAA O=C(Cc1ccccn1)N1CCC(c2nccn2Cc2cscn2)CC1 91997841 MOPWFLPDBFJKOD-UHFFFAOYSA-N 367.478 2.732 0 50 FFAA Cc1sc2nc(CNC(=O)c3cc(=O)[nH]c4ccccc34)cn2c1C 91270139 VBWYRPZKFUVTOD-UHFFFAOYSA-N 352.419 2.784 0 50 FFAA CSCc1nc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cs1 97402503 ZWOKHZQKZFPZOZ-LBPRGKRZSA-N 365.455 2.887 0 50 FFAA NC(=O)c1cc2c(nc1N1CCCN(Cc3ccccc3F)CC1)CCC2 95502500 VFESPRONZHUWNX-UHFFFAOYSA-N 368.456 2.521 0 50 FFAA CO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 95501821 MTZHBUKJFPQNCL-PMACEKPBSA-N 366.465 2.979 0 50 FFAA CN1CCN2C[C@@H](NC(=O)c3sc4cccc(F)c4c3Cl)C[C@H]2C1 91713689 TZSMQTUVMHOUBK-QWRGUYRKSA-N 367.877 2.812 0 50 FFAA CCc1noc(CN2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 95376463 PYSLITJIUNSKFV-ZDUSSCGKSA-N 358.471 2.713 0 50 FFAA O=c1oc2ccccc2n1Cc1cn(C[C@@H]2OCCc3ccccc32)nn1 91858924 LECOLACWHGBXRR-IBGZPJMESA-N 362.389 2.548 0 50 FFAA Cc1sc2nc(CNC(=O)[C@H]3Cc4ccccc4CN3C)cn2c1C 244678749 IJDVUTNMJZYBKB-QGZVFWFLSA-N 354.479 2.686 0 50 FFAA CN1CCN(C(=O)NCc2cn3ccsc3n2)[C@@H](c2ccccc2)C1 298788933 WWRPPFDIAWDWKX-MRXNPFEDSA-N 355.467 2.594 0 50 FFAA Cc1ccc(F)c(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)c1Cl 252537686 MANZGFNZADYPIB-DCGLDWPTSA-N 354.853 2.656 0 50 FFAA O=C(c1ccc(-n2cncn2)nc1)N1CC[C@@H](c2c(F)cccc2F)C1 184027154 TWVKOFNHUAWMMM-CYBMUJFWSA-N 355.348 2.570 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(-c3cccc(Cl)c3)s2)CCO1 299750624 ODFBXEBXWYBAJY-GFCCVEGCSA-N 351.811 2.994 0 50 FFAA O=C(COCc1nc2cc(F)ccc2[nH]1)NCc1ccc2c(c1)CCCO2 252509085 YCDRMIKRJRDKRD-UHFFFAOYSA-N 369.396 2.860 0 50 FFAA CCn1c(C)cc(C(=O)N[C@@H](c2ccc(OC)nc2)[C@H]2C[C@@H](O)C2)c1C 252527652 DCADBJARYGAVQQ-FCEWJHQRSA-N 357.454 2.770 0 50 FFAA O=C(O)[C@@H]1[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C[C@@]23C=C[C@H]1O3 100018623 LTNZXUDWGSHFCN-ZAZJYDDPSA-N 373.714 2.730 0 50 FFAA O=C(Cn1nc2ccccc2n1)Nc1ccccc1OC[C@H]1CCCO1 828075399 PUFFIGORURNOKZ-CQSZACIVSA-N 352.394 2.628 0 50 FFAA COc1ccc(Cc2nc([C@@H](C)OC)n(-c3cccnc3)n2)cc1OC 824258703 RWUZSVWOBNKGNU-CYBMUJFWSA-N 354.410 2.978 0 50 FFAA O=C1C[C@@H](c2ncnn2-c2ccc3c(c2)CCC3)CN1Cc1cccnc1 670472314 BNCANESOWJEMFR-GOSISDBHSA-N 359.433 2.667 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)c1 867306481 MLKFBOZONXTSLP-UHFFFAOYSA-N 354.410 2.696 0 50 FFAA NC(=O)Cc1cccc2c1CCN(C(=O)c1ccsc1C(F)(F)F)C2 870453207 DYQVDUBUNJDFMV-UHFFFAOYSA-N 368.380 2.993 0 50 FFAA COc1ccc(-c2cc(NC(=O)c3ccc(CNC(C)=O)o3)ncn2)cc1 1875356097 FBPYGSXISNCRJY-UHFFFAOYSA-N 366.377 2.634 0 50 FFAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 1875263671 WGDHQTXBFGSAJI-XSEYYSQNSA-N 352.434 2.890 0 50 FFAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)CCc2ccc(F)cc2)C1=O 952978700 SQNKXTCHEBJDKQ-GFCCVEGCSA-N 355.369 2.842 0 50 FFAA Cc1ccccc1[C@@H](C(=O)Nc1cccc(-n2nnnc2C)c1)N(C)C 952981764 NUFKFJXDDYEJPW-SFHVURJKSA-N 350.426 2.521 0 50 FFAA Cc1cc(C)n(Cc2ccc(-c3noc([C@H]4OCC[C@H]4CN)n3)cc2)n1 886078425 ZKYGXWHMHYDRPW-IRXDYDNUSA-N 353.426 2.635 0 50 FFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 888098833 WHQFOTLWWLFSOF-AWEZNQCLSA-N 354.454 2.717 0 50 FFAA Cc1cccnc1/C=C/C(=O)N1CCN(CCOc2ccccc2)CC1 170595118 HQALETAQRPQLNG-MDZDMXLPSA-N 351.450 2.626 0 50 FFAA CCc1nc(C)c(NC(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)s1 170601378 MBOAMXJHPAJVNW-UHFFFAOYSA-N 369.450 2.649 0 50 FFAA Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 281408940 FDIVTKBLDGRZRG-QGZVFWFLSA-N 356.451 2.884 0 50 FFAA COc1cc(-c2onc(NC[C@H](CO)C(C)C)c2C(=O)O)ccc1F 1704324649 BVVFZTGRFVSDHX-LLVKDONJSA-N 352.362 2.864 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 1146239 WNBAGPKBOAAJGC-AWEZNQCLSA-N 362.451 2.797 0 50 FFAA O=C(NC1Cc2ccccc2C1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12709624 HIQSGMGGWVTJBQ-SFHVURJKSA-N 366.436 2.848 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)C1(N2CCCCC2)Cc2ccccc2C1 14977177 HVIJZUSNAKFLAM-UHFFFAOYSA-N 352.482 2.666 0 50 FFAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2 15071036 BYAZDWWNLJFZGC-JEJOPICUSA-N 367.497 2.512 0 50 FFAA CCCCc1n[nH]c2c1CN(C(=O)c1cc3c(nc1OC)CCC3)CC2 19148243 GJQAGMTZHNVRCG-UHFFFAOYSA-N 354.454 2.843 0 50 FFAA Cc1ccsc1CN(C(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 4840604 KJPONJXFYYTHEL-GFCCVEGCSA-N 355.506 2.948 0 50 FFAA C[C@H](C(=O)NC1CCCC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857699210 RRXFQDOVTUFLQL-OAHLLOKOSA-N 352.482 2.925 0 50 FFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCc1noc([C@@H]2CCCO2)n1 1857727344 OYEOUNURHDIHIS-AWEZNQCLSA-N 367.409 2.592 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(c4ccccn4)C[C@]34CC[C@H]2O4)c(C)o1 1875245470 AXQWJABIUTUWEY-XKGFGPFHSA-N 367.449 2.705 0 50 FFAA Cc1nc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c(=O)[nH]c1C 153971856 YHCRSNLSMKAUHV-UHFFFAOYSA-N 355.316 2.558 0 50 FFAA COc1ccc(Cl)cc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 264546344 RCOKAAYLCPQQPT-INIZCTEOSA-N 365.905 2.591 0 50 FFAA Cc1cc(C)n2ncc(CN3CCC[C@]4(CCc5cnc(C)nc54)C3)c2n1 1704339764 LZKYGQZPRGYFQS-NRFANRHFSA-N 362.481 2.925 0 50 FFAA CCOCc1nc([C@@H](C)NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)no1 823024167 YDRQHPAXAMOWKE-RNCFNFMXSA-N 373.331 2.536 0 50 FFAA COc1cccc(NC(=O)CCN2C(=O)OC3(CCCCC3)[C@@]2(C)O)c1 4770477 IPNJQPIPSGXJLZ-GOSISDBHSA-N 362.426 2.887 0 50 FFAA COc1ccc(OC)c(COC[C@@H](O)CN2CCc3ccccc3C2)c1 12420228 RDCSYYLARFPFDE-IBGZPJMESA-N 357.450 2.640 0 50 FFAA FC(F)O[C@@H]1CCC[C@H](N=c2ccc3nnc(C(F)(F)F)n3[nH]2)C1 2325750677 XCZUMUYDRYMESL-JGVFFNPUSA-N 351.279 2.527 0 50 FFAA O=C1N[C@H](C2CC3(CCC3)C2)C(=O)N[C@H]1c1csc(Br)c1 2325777004 XPDDEEYBYCZCEJ-NWDGAFQWSA-N 369.284 2.747 0 50 FFAA N[C@@H]1CCCN(C(=O)c2ccc(-c3cnc4c(F)cccc4c3)nc2)C1 2325796752 IWYFHEVRILLHSL-MRXNPFEDSA-N 350.397 2.999 0 50 FFAA CN(C)c1cccc(CCC(=O)N2CCc3ccc(CC(=O)O)cc32)c1 2325808319 QGNRDNYISRVRQJ-UHFFFAOYSA-N 352.434 2.902 0 50 FFAA O=C(c1occc1COc1ccccc1)N1CC[C@H](C(F)(F)CO)C1 2325810553 RDNDKHJLOKZVEK-AWEZNQCLSA-N 351.349 2.948 0 50 FFAA O=C(NC12CC3C[C@H]1[C@H]2C3)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 2325827527 IUNGRGVXWORZOY-BKGVBNSWSA-N 364.367 2.973 0 50 FFAA Cc1cc(C)cc(-n2nc(C3CCOCC3)nc2C2COCCOC2)c1 2325849695 XVODTLQTYSZMIA-UHFFFAOYSA-N 357.454 2.909 0 50 FFAA Cc1c(C(=O)Nc2cc(OCCN)ccn2)csc1Br 2325868944 REBGTRJIFGLSMK-UHFFFAOYSA-N 356.245 2.804 0 50 FFAA O=Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccc(Br)cc12 638284 BUHMSNYVUYCBKL-CYBMUJFWSA-N 365.227 2.512 0 50 FFAA CSc1ccc(NC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 641146 WYKRUWRRBUBZQT-UHFFFAOYSA-N 359.407 2.867 0 50 FFAA COCCN1CC[C@@H](CNc2nccc(-c3ccc(N(C)C)cc3)n2)C1 2356136664 DIUBVJRHXKQSTK-INIZCTEOSA-N 355.486 2.590 0 50 FFAA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3nncc(C)c3C)cc2)n1 2356139674 HJSXJMKZIPWQGQ-UHFFFAOYSA-N 364.453 2.789 0 50 FFAA Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)no1 7616922 CHUSUNFKLMXXOB-UHFFFAOYSA-N 356.411 2.702 0 50 FFAA COc1cc(OC)c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cc1OC 112667946 UFCIKHUYZAOPIM-UHFFFAOYSA-N 373.453 2.768 0 50 FFAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1ccccc1N1CCOCC1 55088572 MBSCTESILHIJMX-KRWDZBQOSA-N 374.506 2.998 0 50 FFAA CCCCC(=O)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 55060833 KKEFUQPZENDBEB-SFHVURJKSA-N 367.449 2.642 0 50 FFAA CCCNC(=O)c1ccc([C@H]2CCCN2C(=O)CCN2CCCO2)s1 23398200 NIAMPGGDKAYYDB-CQSZACIVSA-N 365.499 2.579 0 50 FFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](NC1CCCC1)CC2 20451071 GSSCGFGEMXPDIC-HNNXBMFYSA-N 356.470 2.675 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)Cc3ccno3)C2=O)cc1 67586927 CMELTFDGWZFJQN-OAQYLSRUSA-N 371.481 2.784 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(c1nc(N(C)C)nc3c1CCCC3)C2 67756478 OXUCLHASACRRNS-UHFFFAOYSA-N 352.486 2.930 0 50 FFAA CN(CCC(=O)Nc1cccc(F)c1)C[C@@H]1CC(=O)N(C2CCCC2)C1 65425751 OAJFAQNKUXEYRR-HNNXBMFYSA-N 361.461 2.877 0 50 FFAA CO[C@H]1C[C@H](c2nnc(CCc3ccc(Cl)s3)o2)N(C(C)=O)C1 328626723 FJKRDYHJWVJKOK-CMPLNLGQSA-N 355.847 2.878 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2cnc3ccccn23)n1C 328628066 GXEVHGGWCDSMRZ-QGZVFWFLSA-N 351.454 2.760 0 50 FFAA CCn1c([C@H]2OCC[C@H]2C)nn(Cc2csc([C@H]3CCCO3)n2)c1=O 328629587 IJQLOCJUMMTMFV-BNOWGMLFSA-N 364.471 2.519 0 50 FFAA CCn1ncc(C)c1NC(=O)c1ccc(CN2CCN3CCC2CC3)cc1 65527088 VPMTXKFRLVLIAY-UHFFFAOYSA-N 367.497 2.744 0 50 FFAA Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C 123762823 MSWFTSRYHDKVHY-UHFFFAOYSA-N 372.830 2.772 0 50 FFAA CC(C)C[C@H](C(=O)Nc1cc(-c2ccccc2)[nH]n1)N1CCCCC1=O 435675351 LGCQARGNBZGPPL-QGZVFWFLSA-N 354.454 3.442 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1cccc(F)c1F 67696271 ZYPQQTXFEOMNCT-OAQYLSRUSA-N 374.431 2.651 0 50 FFAA Cc1nsc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)n1 173081709 VESBWOVNAGMTFY-UHFFFAOYSA-N 355.467 2.540 0 50 FFAA OCC[C@@]1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1 125822737 XFXCIWIERCQDEG-IBGZPJMESA-N 370.896 2.822 0 50 FFAA C[C@@H](NCc1cnc2n1CCCC2)c1cccc(N2CCCS2(=O)=O)c1 367439467 UUBGTTOUMOQLQG-OAHLLOKOSA-N 374.510 2.610 0 50 FFAA O=C(NC[C@@H]1CN(c2ccccc2)CCO1)c1cccc(-n2cccn2)c1 77555981 HRETVCNPOBAZCY-HXUWFJFHSA-N 362.433 2.508 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)c3ccnc(N)c3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72170173 MLGORCWBCQXIIL-HMXCVIKNSA-N 362.477 2.675 0 50 FFAA O=C(NCc1ccccn1)[C@@H]1CCCN(C2CCN(CC3CCC3)CC2)C1 71774694 IIVVHUVBQMVDFE-LJQANCHMSA-N 370.541 2.674 0 50 FFAA O=C(Nc1cccc2cccnc12)C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 371427665 XYEUWVSSEFZDMT-HZPDHXFCSA-N 367.449 2.839 0 50 FFAA Cc1ccc2nc(-c3cnn(CCO)c3)c(C)c(C(=O)NC(C)C)c2c1 32590322 PECPWZGGAKTUCH-UHFFFAOYSA-N 352.438 2.846 0 50 FFAA CN1CCC(CN2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CC1 215849995 RUJBESQSCLVZMK-UHFFFAOYSA-N 365.525 2.603 0 50 FFAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2cnn3cccnc23)cc1 262515403 LFHZCBHXXAUOLQ-MRXNPFEDSA-N 366.421 2.973 0 50 FFAA O=C1CN(Cc2cc(=O)c3ccccc3[nH]2)CCN1Cc1cccc(F)c1 72135262 CDYFCLJCDYPCNY-UHFFFAOYSA-N 365.408 2.512 0 50 FFAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 182020439 FORVAAFMMKAGMD-CYBMUJFWSA-N 369.387 2.858 0 50 FFAA CC(C)Cc1nc(CN2C[C@@H]3C[C@H]2C(=O)N3c2cccc(Cl)c2)no1 77436797 WIKZSWLOGAFVEC-GJZGRUSLSA-N 360.845 2.911 0 50 FFAA CC[C@H]1CN(C(=O)CCCn2cccn2)CCC(=O)N1Cc1ccccc1 71388624 CELNSVJNUPCTSM-IBGZPJMESA-N 368.481 2.703 0 50 FFAA Cc1ccccc1CC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 219842879 QKUGUABDQALYGR-QFIPXVFZSA-N 361.445 2.858 0 50 FFAA NC(=O)c1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cn1 458524939 QRXUFHYSDWOCAH-INIZCTEOSA-N 360.364 2.505 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 219339077 YPLUXXITFBCFOF-GRXDXKALSA-N 364.449 2.746 0 50 FFAA Cc1cc(N2CCCN(Cc3cccnc3)CC2)n2nc(C)c(C)c2n1 72468963 YXWOJKKZZRRMLM-UHFFFAOYSA-N 350.470 2.762 0 50 FFAA Cc1ncnc(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1C 72439515 DSOBRWVLYFYCAZ-HXUWFJFHSA-N 354.498 2.599 0 50 FFAA O=C(N1C[C@H]2C3CCC(CC3)[C@H]2C1)C1(S(=O)(=O)c2ccccc2)CC1 71754016 OIBPQWGZMLPPSB-SAJCDORXSA-N 359.491 2.888 0 50 FFAA CCc1nc(NC(=O)N(C)Cc2cnn(-c3cccc(C)c3)c2)nn1C 48482637 ORZSQXVXABSQHB-UHFFFAOYSA-N 353.430 2.536 0 50 FFAA Cn1cc(CC(=O)N2CCCC[C@@H]2CCN2CCOCC2)c2ccccc21 82107036 BQVRTNMLYNBOBL-LJQANCHMSA-N 369.509 2.824 0 50 FFAA O=C(O)c1cc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)ccc1O 426488535 ZUUBSUYAXREZIQ-QGZVFWFLSA-N 366.417 2.678 0 50 FFAA Cc1nc(CCNC(=O)N2CCC[C@@H]2c2c(C)noc2C)nc2c1CCC2 426728307 RSLYXHHDLMIABV-QGZVFWFLSA-N 369.469 2.968 0 50 FFAA Cc1noc(C)c1CCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82137002 QIBQPSCXCWLGLA-UHFFFAOYSA-N 373.501 2.599 0 50 FFAA CSc1cccc(CN(C)C(=O)NCCSc2n[nH]c(C)n2)c1 426434179 YDLDEOKCHTWCED-UHFFFAOYSA-N 351.501 2.769 0 50 FFAA Cc1cc(F)ccc1-c1cccc(C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)c1 426423314 GJVARFSGXMOYSX-AVRDEDQJSA-N 368.452 2.988 0 50 FFAA COc1cccc(CC(=O)N2CCC(Cc3nnc(SC)n3C)CC2)c1 82121539 BXWNIZJODCZTFL-UHFFFAOYSA-N 374.510 2.569 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(CC(=O)NCc2ccco2)C1 91964569 DLCXUIRERSNKNJ-NRFANRHFSA-N 370.449 2.969 0 50 FFAA CC(C)(NC(=O)[C@H]1CCCN(C2CCCCC2)C1)c1nnc(N)s1 97742964 ASIBSVVXVCHKPV-LBPRGKRZSA-N 351.520 2.516 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CC[C@H](CN)C2)cc1 426387911 QJCBENPIGFLTDP-LLVKDONJSA-N 367.375 2.918 0 50 FFAA COCCN(Cc1ccccn1)C(=O)c1c[nH]nc1-c1cccc(F)c1 96137710 CFLBQFRKVQHVPG-UHFFFAOYSA-N 354.385 2.900 0 50 FFAA Cc1noc(C)c1[C@H](C(=O)O)N1CCN(C/C=C/c2ccccc2)CC1 95358644 XIXVVQMQJJIMQN-MBNRZODZSA-N 355.438 2.748 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1C 95388100 QDOQGDCJSJGTPC-QGZVFWFLSA-N 368.460 2.887 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)cc(=O)[nH]1 95362156 NHDDYLPPEOGIRD-OAHLLOKOSA-N 369.469 2.869 0 50 FFAA Cn1ccnc1C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 91985954 WKJMSKJTFWBGKG-UHFFFAOYSA-N 351.809 2.998 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)Cn1sc2ccccc2c1=O 95524458 GWVMLKLEKAKJGH-UHFFFAOYSA-N 357.435 2.588 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)NCCNC(=O)c1ccccc1Cl 95526963 CYVPVWHTTZYWQJ-CYBMUJFWSA-N 362.861 2.767 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(C)cn3)C2)nc1 184298016 UKMWHRDYCJUMNH-OAHLLOKOSA-N 353.426 2.976 0 50 FFAA Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CC[C@@](C)(C(=O)O)C1 299745792 SKWVWGWNAVTHBW-GOSISDBHSA-N 363.364 2.704 0 50 FFAA COc1cccc2c1nc(NC(=O)[C@H]1CCCN1c1nccs1)n2C 184464686 RFUHQHDBZGAZMT-GFCCVEGCSA-N 357.439 2.646 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 253399598 DCYPWEXSDWXVGJ-UGJIMAENSA-N 366.509 2.934 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC3(CCOCC3)CC2)cc1Cl 284746950 UETXFHRFLCTOLN-UHFFFAOYSA-N 359.875 2.930 0 50 FFAA CCCc1nnsc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 299794666 LJWSTSQZIRUWQA-UHFFFAOYSA-N 370.522 2.806 0 50 FFAA CC(C)CS(=O)(=O)CCNC(=O)Nc1cccc(-c2cnco2)c1 299792445 FSVMVNBNXWBVQO-UHFFFAOYSA-N 351.428 2.534 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N(Cc2cnn(C)c2)C2CC2)c1C 299798400 RPVUINNHZFZTCR-UHFFFAOYSA-N 371.441 2.510 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccnn1Cc1ccccc1Cl 299788222 XVAKQCVOJIPAFI-GJZGRUSLSA-N 364.833 2.510 0 50 FFAA O=C1C[C@H](C(=O)NCCOc2cccc3cccnc23)c2ccccc2N1 828320507 PRYLBVIRNPNLTC-INIZCTEOSA-N 361.401 2.856 0 50 FFAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)c1cn2cccnc2n1 825573818 RBBUDSJPNXYBHM-UHFFFAOYSA-N 354.801 2.622 0 50 FFAA CCOc1ccc(CC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 585999986 XKTCGAGZRFFKSM-MRXNPFEDSA-N 356.422 2.642 0 50 FFAA COc1cccc(CN(C(=O)NCCc2noc(C3CC3)n2)C2CC2)c1 584890565 IOCRUNRIVJHVTR-UHFFFAOYSA-N 356.426 2.872 0 50 FFAA O=C(c1cccc(-c2nc(=O)o[nH]2)c1)N1CC(Cc2ccc(F)c(F)c2)C1 1447787470 SUONDFZKYFPBDD-UHFFFAOYSA-N 371.343 2.623 0 50 FFAA O=C1CC[C@@](C(=O)N2CC[C@H](c3cccc(O)c3)C2)(c2ccccc2)CN1 1875267923 ABROZDKAVDUEIF-JTSKRJEESA-N 364.445 2.556 0 50 FFAA CC1(C)[C@@H](C(=O)O)CCN1S(=O)(=O)c1cccc([C@H]2CC2(F)F)c1 1875395425 XIPLDCXWABGVSK-CHWSQXEVSA-N 359.394 2.683 0 50 FFAA C[C@H]1C[C@@H](CO)N1C(=O)N=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)s1 1875301665 ORQMEHBUAVYELN-KWQFWETISA-N 372.372 2.633 0 50 FFAA c1ccc(-c2noc(NC[C@H](c3ccccn3)N3CCOCC3)n2)cc1 952984656 LNHBJZPGUQZTMK-QGZVFWFLSA-N 351.410 2.617 0 50 FFAA CCc1oc2ccccc2c1CN1CCC[C@@](O)(Cc2nncn2C)C1 886088940 RNEYRAJUAFLDMG-HXUWFJFHSA-N 354.454 2.693 0 50 FFAA COc1cccc(CC(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c1 1565530102 BKXKLHLGQLGYRW-PMACEKPBSA-N 355.434 2.728 0 50 FFAA COCc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)s1 1565512085 RTHAMNMRNZDQRA-HIFRSBDPSA-N 362.495 2.758 0 50 FFAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1 1565526409 SZOWCDRNHAYYPP-YRPNKDGESA-N 352.434 2.926 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2cccc(C(N)=O)c2)CC1 275719305 OFTYKJGMSJDUOD-FQEVSTJZSA-N 352.482 2.667 0 50 FFAA COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(Br)cc1C 225609309 ZWUSIUCQTAZBEJ-JTQLQIEISA-N 368.149 2.981 0 50 FFAA Cn1ccnc1CC1CCN(C(=O)c2ccncc2C(F)(F)F)CC1 193117926 CDCDSSLIJIIWCP-UHFFFAOYSA-N 352.360 2.929 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2cc(C)nc(C)n2)CC1 1506407771 JWXZPNWQMDIULV-UHFFFAOYSA-N 367.497 2.658 0 50 FFAA COc1cc(SC)ccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 815585 QVZTXNWECFZUCI-UHFFFAOYSA-N 360.435 2.608 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)c2cnn3cc(C)ccc23)cc1 1772700933 GQYQNORODVXQHK-UHFFFAOYSA-N 361.405 2.971 0 50 FFAA CCCS(=O)(=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 11841443 OLSWDDNZADCULA-CYBMUJFWSA-N 358.891 2.522 0 50 FFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)c1 12029962 JSLQBTXMIGQVGN-SFHVURJKSA-N 374.462 2.725 0 50 FFAA O=C(c1cc(F)ccc1F)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 169772256 UXYFQCDMXWONTK-UHFFFAOYSA-N 372.297 2.736 0 50 FFAA CCOC(=O)N(CC)c1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1 2900762 WEKRDEAIVQJPIK-OAHLLOKOSA-N 363.332 2.982 0 50 FFAA COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4809567 RRNRYDUEBJHXDT-UHFFFAOYSA-N 368.842 2.517 0 50 FFAA COc1cc(OC)cc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 4843263 OKOGDCZXWGUPFC-UHFFFAOYSA-N 353.378 2.992 0 50 FFAA C[C@@H]1CN(C(=O)Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccccc1 2745495 WZTKTWVIGDHCTK-QZTJIDSGSA-N 350.462 2.920 0 50 FFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc(N3CCCC3=O)cc1)CCC2 1857691612 SHVWFRGNKNRNQF-INIZCTEOSA-N 352.438 2.663 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3[C@@H]3CC[C@@H](O)[C@H]3O)s2)c1 1857702695 HGZUFSJSPPGTPZ-FMKPAKJESA-N 357.435 2.739 0 50 FFAA CO[C@@H]1CC[C@H](C(=O)NC(C)C)C[C@H]1NC(=O)c1cc(F)ccc1Cl 1857718101 NXKNAMAAPOGMKX-IUIKQTSFSA-N 370.852 2.917 0 50 FFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857722317 HJCMTKGNSJPYFD-WOZUAGRISA-N 372.509 2.602 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(Cc3cncnc3)C1)CC2 1857730746 VUYULMIRMDKZSG-FQEVSTJZSA-N 353.470 2.750 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)nn1C 236682934 ZLXQHJIXONNKNP-UHFFFAOYSA-N 355.438 2.802 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(C(=O)O)c1 236825247 SSVWUIVDJINSDX-IBGZPJMESA-N 364.401 2.965 0 50 FFAA C[C@@H]1Oc2c(cccc2C(=O)N2CCO[C@H](c3cccs3)C2)NC1=O 162184822 RNBUURDFAUTLNQ-FZMZJTMJSA-N 358.419 2.681 0 50 FFAA O=C(NS(=O)(=O)C1CCC1)c1cc2ccccc2n1Cc1ccncc1 850988973 HNEVWNXNCPILSR-UHFFFAOYSA-N 369.446 2.697 0 50 FFAA Cc1cc(Br)c(S(=O)(=O)NCc2cccnc2)cc1C 887318 BWBVHDZOBZAGSI-UHFFFAOYSA-N 355.257 2.939 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)CC1 1063557 ZZKICRNCEDNQCR-UHFFFAOYSA-N 362.451 2.630 0 50 FFAA O=C(O)c1cc(Br)cc(S(=O)(=O)NCc2ccccc2)c1 6344260 SYRWENWLQYOZNU-UHFFFAOYSA-N 370.224 2.626 0 50 FFAA COc1ccc(CN2CCC[C@]23CCCN(C)C3=O)cc1Cn1cccn1 2100482772 YDPONNMJDQJEDK-NRFANRHFSA-N 368.481 2.527 0 50 FFAA Cc1ccc2c(c1)[C@@H](C(=O)O[C@H](C)C(=O)c1ccc3c(c1)NC(=O)CO3)C2 2325760346 WGNZBONQWDXTDQ-WBMJQRKESA-N 365.385 2.780 0 50 FFAA CN(C)Cc1ccc2c(c1)CCN(C(=O)c1ccc3c(O)ncnc3c1)C2 2325803210 XYUBNBPJQMPFFU-UHFFFAOYSA-N 362.433 2.596 0 50 FFAA O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N[C@H]1Cc2cccc(O)c2C1 2325807321 RKJRPGXGRYBFHS-AWEZNQCLSA-N 371.380 2.998 0 50 FFAA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)N2CCn3c2nc2ccccc23)cn1 2325816644 OIDWFMVNLKOLGZ-QAPCUYQASA-N 365.437 2.938 0 50 FFAA COc1ccc(CNC(=O)c2ccc(-c3cscn3)nc2)c(OC)n1 2325839986 LCEUONPKTPXIDE-UHFFFAOYSA-N 356.407 2.547 0 50 FFAA CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 642828 ZPGYWZHPIGXUNA-UHFFFAOYSA-N 360.479 2.604 0 50 FFAA Nc1nc(N)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1 6118800 GBVQWZXJDIIUCC-UHFFFAOYSA-N 350.403 2.780 0 50 FFAA Cc1ccc(CN2CCN(C3CCN(C(C)C)CC3)C[C@H]2CCO)cc1 104626157 YWZSSJWJVKLBGT-JOCHJYFZSA-N 359.558 2.736 0 50 FFAA CCCOC(=O)N1CCC2(CC1)CN(CC[C@H](C)SC)CCN2C 106739328 DDXAIFZFNGOFMP-INIZCTEOSA-N 357.564 2.757 0 50 FFAA O=S(=O)(c1ccccc1)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]2C=C[C@H]1C2 104298119 PHBRBNNWUXHHBA-LNMJFAINSA-N 374.483 2.877 0 50 FFAA CC(C)Cn1c(CN(C)Cc2ccc(F)cc2)cnc1S(C)(=O)=O 55226008 ITLDCGQKCOBDFP-UHFFFAOYSA-N 353.463 2.714 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)c1cnc(-c2cccnc2)nc1 55134017 OPXZHNMUQKBCMH-UHFFFAOYSA-N 353.470 2.877 0 50 FFAA COC(=O)N[C@H](C)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67881626 JDUHHKLPAVKGJV-SNVBAGLBSA-N 365.336 2.513 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCCN(C)C2(CCN(C)CC2)C1 67605494 NYAJQVHWKNEKEZ-UHFFFAOYSA-N 364.559 2.817 0 50 FFAA CCOCc1nc(-c2c(C)ncc3c2CCN(Cc2[nH]cnc2C)C3)no1 23128495 IETIQBBDLVOMAR-UHFFFAOYSA-N 368.441 2.566 0 50 FFAA COc1ccc(C[C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)cc1 20776527 PFAZOUAGXVGTRF-IBGZPJMESA-N 355.434 2.910 0 50 FFAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(c2cnccn2)C1 11938232 STZJNTPNTVLLBY-QGZVFWFLSA-N 353.470 2.569 0 50 FFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2csc(C3CC3)n2)n1 328640371 QBLDZGNMOJDHRF-ZDUSSCGKSA-N 359.455 2.633 0 50 FFAA COCc1noc([C@H](C)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328623889 CBXDYNQPKWEGCG-WDEREUQCSA-N 373.379 2.687 0 50 FFAA Cc1cnn([C@@H](C)CNC(=O)c2cc(COc3ccccc3F)[nH]n2)c1 67872007 AFVGNXVCIIFZFR-ZDUSSCGKSA-N 357.389 2.624 0 50 FFAA CCOC(=O)C1(CCOC)CCN(C(=O)c2ccc(COC)s2)CC1 12714776 HTTQAPDXGKLRPB-UHFFFAOYSA-N 369.483 2.717 0 50 FFAA Cc1nc([C@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)c2ccccn12 65381589 HHKMDNOAZKDHLI-HNNXBMFYSA-N 358.405 2.757 0 50 FFAA COc1ccc(Br)cc1CC(=O)N1CCC[C@H]([C@@H](C)N)C1 237114203 NHSIMNZVWMJRDP-NEPJUHHUSA-N 355.276 2.586 0 50 FFAA CN1CC2(CCNCC2)C[C@H]1C(=O)N1CCC2(CCc3ccccc32)CC1 72411469 WIXDRICRWVSIKX-FQEVSTJZSA-N 367.537 2.567 0 50 FFAA C[C@]1(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)CCCO1 330144217 ZLACIEQYFMOPNV-CQSZACIVSA-N 368.256 3.475 0 50 FFAA COc1c(Cl)cc(Cl)cc1C(=O)N1CCc2c(nc(C)[nH]c2=O)C1 71748253 LYFUXFXEJCUXOG-UHFFFAOYSA-N 368.220 2.592 0 50 FFAA O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H](COc2ccc(F)cc2)C1 72476185 UCEPHKNVAZSKCV-AWEZNQCLSA-N 370.424 2.934 0 50 FFAA O=C(NC1(c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)c2ccccc21 284061988 TVFYIOMXDVLJNE-AWEZNQCLSA-N 359.422 2.892 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 71747743 DAFATCLAEJXTQI-INIZCTEOSA-N 362.437 2.818 0 50 FFAA C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]3C2)cc1 333144670 LOGIFCAUFJYZKE-KBAYOESNSA-N 370.497 2.774 0 50 FFAA CNc1nc(C)c(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)s1 72127360 MUJOJDWYRMOXCD-QGZVFWFLSA-N 370.522 2.809 0 50 FFAA COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)o2)c(OC)c1 262061550 BEGQLVCCJPMVGB-NSHDSACASA-N 353.758 2.896 0 50 FFAA CCOC1=N[C@]23CCC[C@]12[C@H]1C=C[C@H]3[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 216342902 FZYDUPOOUKIPED-YGQHUFLISA-N 362.429 2.966 0 50 FFAA c1ccc2[nH]c(C3CN(Cc4cnc(NC[C@@H]5CCCO5)nc4)C3)nc2c1 214982348 AGFJHRLVQHRCOA-INIZCTEOSA-N 364.453 2.543 0 50 FFAA COCCn1cc(CN2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cn1 377675233 FZFYEHOIMYABFV-SFHVURJKSA-N 366.469 2.694 0 50 FFAA Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 239762473 CLNLQMRABFVWNZ-KRWDZBQOSA-N 357.841 2.964 0 50 FFAA c1cc(CN2CCSCC2)cc(OCCCCN2CCOCC2)c1 215317971 BYKUDDCUCDNXHI-UHFFFAOYSA-N 350.528 2.727 0 50 FFAA O=C1CC[C@H]2CN(c3ncccc3F)CC[C@H]2N1CCc1ccccn1 72408541 SBQNTHUVGAEOSW-MAUKXSAKSA-N 354.429 2.676 0 50 FFAA COc1cccc(N2C[C@H](C(=O)Nc3ccc4[nH]cnc4c3)CC2=O)c1 40285443 RQAYFVXSFUWJAD-GFCCVEGCSA-N 350.378 2.563 0 50 FFAA C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1nncn1C1CCCC1 223183382 DGRDYFUOTCQXTF-OAHLLOKOSA-N 369.469 2.721 0 50 FFAA COC(=O)c1nc(NC(=O)CCOC2CCOCC2)sc1C(C)C 289260939 YHORUTYUALKGHM-UHFFFAOYSA-N 356.444 2.577 0 50 FFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 223777960 YMXHETLPFXVXDW-SJORKVTESA-N 359.426 2.848 0 50 FFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cccc(N(C)C)c3)CC2=O)cc1 82096916 TVZPGKANERVIOA-INIZCTEOSA-N 351.450 2.939 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccccc1-n1cncn1 426444935 LRYJECIKWFELFI-QGZVFWFLSA-N 366.425 2.919 0 50 FFAA CN(Cc1ccnn1C)C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 20616194 DZXXHVLSBWALAA-UHFFFAOYSA-N 357.361 2.659 0 50 FFAA NCCCOc1ccc(F)cc1C(=O)N1CCC(O)(c2ccccc2)CC1 426495863 ULFMXBZUYXFOHR-UHFFFAOYSA-N 372.440 2.677 0 50 FFAA CCN(CCNC(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1)c1cccc(C)c1 426472720 JRVGRKZCXXRAEM-QGZVFWFLSA-N 370.501 2.837 0 50 FFAA COc1ccc(C2(CNC(=O)N(C)C[C@@H]3CC(=O)N(C)C3)CCCC2)cc1 426701428 NQMLMMRETBXLNK-MRXNPFEDSA-N 373.497 2.627 0 50 FFAA Cn1ccnc1-c1ccc(C(=O)N2CCC(N3CCSCC3)CC2)cc1 426405751 QKZAFWWLRFDUFH-UHFFFAOYSA-N 370.522 2.741 0 50 FFAA CCn1cnnc1CCNc1cc(N)nc(SCc2ccc(C)cc2)n1 95391205 PGUYYWDSCPGOFC-UHFFFAOYSA-N 369.498 2.926 0 50 FFAA O=C(NCCCn1ccnn1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95381214 AAKVAGQJWXNJLM-UHFFFAOYSA-N 364.384 2.552 0 50 FFAA Cc1ncsc1CCN(C)C(=O)Cn1c(C)cc(=O)c2ccccc21 95498604 TYLIHXUPJNJSSV-UHFFFAOYSA-N 355.463 2.776 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)NCCn2ccc3ccccc32)C1 426551402 XTQFFBPSBUSMNR-SFHVURJKSA-N 370.497 2.931 0 50 FFAA Cn1cnnc1SCCNC(=O)N(C/C=C/c1ccccc1)C1CC1 426497360 OLNKHRNXAYDQEV-VMPITWQZSA-N 357.483 2.795 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC(O)(c2ccc(F)cc2)CC1 97675229 ZFQRUQCKAFCJQR-UHFFFAOYSA-N 366.396 2.735 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)CN2CCCCCC2=O)c1 95500371 BXKYMGQJOMFVNM-LJQANCHMSA-N 358.482 2.905 0 50 FFAA Cc1c(Cl)cccc1-n1nc(CC(N)=O)nc1[C@@H](O)Cc1ccccc1 96137273 CJXQQDJJWVYDKD-INIZCTEOSA-N 370.840 2.533 0 50 FFAA CCN1CCC[C@H]1CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 426647267 MZTVYGQIZWSIJC-FXVWLTTGSA-N 356.514 2.511 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2cc(O)c(F)c(F)c2)cc1 426649580 ITDPKRSOVRHRJS-NSHDSACASA-N 362.376 2.934 0 50 FFAA Cc1nnc(SCC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)o1 95372106 UZXKNULWJMUVOO-IAGOWNOFSA-N 372.494 2.593 0 50 FFAA Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cn1 95384314 TYTXSVSKHAYWEE-GOSISDBHSA-N 369.513 2.866 0 50 FFAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 95936539 FBKNYLGPAZLJGL-CQSZACIVSA-N 351.399 2.576 0 50 FFAA CCCCSc1nc(N)cc(N2CCc3nnc(C(C)C)n3CC2)n1 95390959 NFACQTOGHOKSSB-UHFFFAOYSA-N 361.519 2.729 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCCN1CC[C@@H](c2ccccc2)C1 96140748 CPODTARBNWGDHL-GOSISDBHSA-N 366.509 2.827 0 50 FFAA COc1cc(C)cc([C@H](C(=O)O)N2CCC(Cn3ccnc3)CC2)c1OC 95528895 LJBKOMZEWXFSRT-GOSISDBHSA-N 373.453 2.747 0 50 FFAA CC(C)Oc1cccc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)n1 182080812 DWSUEIVCBZGSGS-UHFFFAOYSA-N 362.474 2.571 0 50 FFAA COc1ccc(F)cc1[C@@H](NC(=O)CCc1ccccn1)[C@H]1C[C@H](O)C1 244584341 CXNBZICNVMCKRJ-RISOHXOYSA-N 358.413 2.790 0 50 FFAA COc1cccc(OCCN2CCc3sc(C(=O)N(C)C)cc3C2)c1 244866346 VUIYVKAALRQQLM-UHFFFAOYSA-N 360.479 2.896 0 50 FFAA O=C(O)[C@@H]1CN(Cc2nccn2Cc2ccccc2)C[C@H]1C(F)(F)F 299744475 OXZOZUFLYAIOCY-ZIAGYGMSSA-N 353.344 2.626 0 50 FFAA COCCn1cnnc1CN(C)C(=O)Nc1ccccc1C(F)(F)F 299775549 JZCUTVYOJLJXGG-UHFFFAOYSA-N 357.336 2.607 0 50 FFAA O=C1C[C@H](C(=O)NCCCc2nc3ccccc3[nH]2)C2(CCCCC2)O1 299782704 SYHPWKBGEIRGSU-CQSZACIVSA-N 355.438 2.878 0 50 FFAA COc1ccc([C@H](CC(=O)OCCc2ccc(C)nc2)NC(C)=O)cc1 1875305368 BOTSXEMKITYNFV-IBGZPJMESA-N 356.422 2.752 0 50 FFAA O=C(NCCC12CCC(CC1)CC2)NCc1ccnc(-n2cncn2)c1 1875318554 SBTZMVOKTITNAU-UHFFFAOYSA-N 354.458 2.822 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCCN(c2ccncc2F)C1 952972066 MDESNVQHJLIGRH-HNNXBMFYSA-N 371.412 2.525 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2cnn(C)c2C)cc1 1565531332 NXKPUBCJEKLXGU-QUCCMNQESA-N 354.498 2.834 0 50 FFAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565516994 UEGVLJLSSVTKIA-HOTGVXAUSA-N 364.804 2.769 0 50 FFAA CC(C)c1noc([C@@H](NC(=O)CCc2ccccn2)C2CCOCC2)n1 275448780 VYDZUXZJPTYGPE-KRWDZBQOSA-N 358.442 2.805 0 50 FFAA Oc1nccnc1N1CCC[C@@H](NCc2ccccc2OC(F)(F)F)C1 275659915 UXMWEIDNRFNBPQ-CYBMUJFWSA-N 368.359 2.839 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCN1C(=O)OC(C)(C)C 170602431 PEWFCLKPRGGUKZ-NVXWUHKLSA-N 361.486 2.757 0 50 FFAA COc1ncc(Cl)c(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1 301684251 HGKFJTDCVXWKHN-LBPRGKRZSA-N 361.833 2.697 0 50 FFAA COCCn1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cn1 225413877 XTNYCDZMOFXOQL-RDJZCZTQSA-N 366.506 2.655 0 50 FFAA Cc1cc(C(=O)NS(=O)(=O)c2cccc3ncccc23)c(F)cc1F 749029425 NXBFEIITLBWQFL-UHFFFAOYSA-N 362.357 2.940 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1nnc(C2CC2)o1 194000302 WTVYGMBMLDQHIT-UHFFFAOYSA-N 369.400 2.748 0 50 FFAA C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC[C@@H](O)c1c(F)cccc1F 769519342 ONSDVAZREIJLSY-YVEFUNNKSA-N 374.387 2.663 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)N(C)CCc2scnc2C)CC1=O 1506415965 RQCZNOHXFIHXEN-CQSZACIVSA-N 373.478 2.514 0 50 FFAA O=C(CN1CCCCCC1)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529172757 HUKHEMJOVURMGJ-NQIIRXRSSA-N 367.493 2.785 0 50 FFAA COc1cc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)ccn1 1704303313 GYFLLTFTXDEVJQ-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA O[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1Cc1cnccn1 1704358319 IJWTUCAXDUTZOW-MLGOLLRUSA-N 355.335 2.670 0 50 FFAA O=C(Cc1cccc(Cl)c1)N1CCCN(CC[C@H]2CCOC2)CC1 1772707209 WWWZYHNLGNJXJU-INIZCTEOSA-N 350.890 2.843 0 50 FFAA CCNc1ncc(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)cn1 1775983592 NZYROMYXTBHEHZ-LBPRGKRZSA-N 363.425 2.701 0 50 FFAA CCN1CC[C@@]2(CCN(C(=O)c3cn(CCC4CCCCC4)nn3)C2)C1 11717463 YPVYTMILWGUZBD-HXUWFJFHSA-N 359.518 2.806 0 50 FFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C(=O)c1cccnc1 12072334 VDVOJFMSNNOKHE-GOSISDBHSA-N 361.405 2.511 0 50 FFAA Cc1nonc1CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 12319732 WKQWDBNJQRRERI-UHFFFAOYSA-N 360.320 2.702 0 50 FFAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3cnsn3)C2)cc1 12440250 NEGQVQZZATYPKR-INIZCTEOSA-N 374.510 2.573 0 50 FFAA O=C(Cn1cc2ccccc2n1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12575635 BUDGTPAXMDIGOD-HXUWFJFHSA-N 374.488 2.784 0 50 FFAA Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC[C@@H]2CCCO2)o1 13124847 KLFKZHWJARAKDP-KMTKGMGQSA-N 354.406 2.654 0 50 FFAA O=S(=O)(c1ccc(Br)cc1)N1CCN=C1c1ccccc1 19619225 CSFZCGOVBAFSAU-UHFFFAOYSA-N 365.252 2.900 0 50 FFAA Cc1ccc(-n2cccn2)c(CN2CCC[C@H](N3CCC(CO)CC3)C2)c1 19757470 JTQPAFKRQLWZKT-NRFANRHFSA-N 368.525 2.849 0 50 FFAA O=S(=O)(NCCSC1CCCCC1)c1ccc2c(c1)OCCO2 4552653 MMCJKHWBBDSSIT-UHFFFAOYSA-N 357.497 2.802 0 50 FFAA COC(=O)c1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 2846834 UJRBPVPFKHXSCA-UHFFFAOYSA-N 368.418 2.785 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)cc1 1857528323 FZGKILRGTLTWSI-CVEARBPZSA-N 368.481 2.698 0 50 FFAA Cc1cc(CC(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cc(C)n1 1857718111 OUQKHWYFWAXULN-UNMCSNQZSA-N 367.493 2.771 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c2ccccc2n1 1857718543 JZSHDMJQERBQGA-TWOQFEAHSA-N 351.450 2.525 0 50 FFAA Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c3c(sc2n1)CCC3 937449 MXDDROHGPFIQMI-NSHDSACASA-N 363.508 2.876 0 50 FFAA CNC1CCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1 911787448 RATTTYWZCOHNCV-HNNXBMFYSA-N 356.253 2.697 0 50 FFAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2oc3ccccc3c2C)cn1 818602991 TYRORNVREZPDFP-DOTOQJQBSA-N 355.394 2.534 0 50 FFAA CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccccc2)C1=S 1185260 DVEVBWVXIYOKRB-MRXNPFEDSA-N 371.437 2.782 0 50 FFAA Cc1nc2ncc3c(=O)n(-c4cccc(OC(F)(F)F)c4)ccc3n2n1 30875060 JQINLYQQAJCTMU-UHFFFAOYSA-N 361.283 2.635 0 50 FFAA O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc2c(o1)CCCNC2 2325774730 NNRMNHLYIYRSFX-OAHLLOKOSA-N 360.376 2.935 0 50 FFAA CN1CCN(CCC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)CC1 2325804536 XUDDOBBZIGZWCL-UHFFFAOYSA-N 363.465 2.602 0 50 FFAA O=C(N1CCC(Cc2nc(C3CCC3)no2)CC1)[C@]12CCC[C@@]1(C(=O)O)C2 2325815733 MMLVJBRFSBSJDV-UXHICEINSA-N 373.453 2.763 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4CC[C@H](C3)C(=O)N4C)s2)c1 75962355 OQABZOCUKOPEEG-CABCVRRESA-N 357.479 2.871 0 50 FFAA CC[C@@](CNCc1c[nH]nc1-c1cccnc1)(C(=O)O)c1ccccc1 901901170 PPGZFMKRMKNJHR-FQEVSTJZSA-N 350.422 2.994 0 50 FFAA CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1122718 INUUCBPOYFBPCX-UHFFFAOYSA-N 359.201 2.857 0 50 FFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc2c(c1)OCO2 1131702 GTVHEEZBOYOSPF-OAHLLOKOSA-N 356.330 2.917 0 50 FFAA Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 1144025 SAXGALWWAYTHIO-UHFFFAOYSA-N 362.451 2.699 0 50 FFAA CCOC(=O)N1CC[C@H](N2CCC3(CC2)OCCc2cccc(OC)c23)C1 2356141547 GZTDKHFYWSMFRN-KRWDZBQOSA-N 374.481 2.790 0 50 FFAA COc1ccc(CC(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1F 2356143315 CLHOHVBKRJCLPE-OAQYLSRUSA-N 369.440 2.982 0 50 FFAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(O)ncnc4c23)CO1 8766709 DAZGXOBKHOSKQM-UHFFFAOYSA-N 372.450 2.633 0 50 FFAA O=C(c1nc2ccccc2[nH]c1=O)N(Cc1ccsc1)C[C@H]1CCCO1 55575816 RCXLUYPBHACSPK-CQSZACIVSA-N 369.446 2.806 0 50 FFAA Cc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)c1 9096474 VEXFWYQGULKENM-GOSISDBHSA-N 363.461 2.697 0 50 FFAA Cc1cc(=O)c(C(=O)NCc2cccnc2N(C)Cc2ccccc2)c[nH]1 20783054 KKGIUJCIVJQQKS-UHFFFAOYSA-N 362.433 2.645 0 50 FFAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1n[nH]c2ccccc12 409414092 NMJSECFOIAKVER-APWZRJJASA-N 370.497 2.916 0 50 FFAA Cn1cnnc1Sc1ccc([C@H]2CC(=O)Nc3cc4[nH]ncc4cc32)o1 67840989 RLQYICNPYWNSQE-NSHDSACASA-N 366.406 2.910 0 50 FFAA CC(C)CNC(=O)[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C)[C@H]1c1cccnc1 67714784 FXERRSDQPJVEAO-ZWOKBUDYSA-N 361.486 2.716 0 50 FFAA CCc1ccc(CN2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)nc1 67514280 BXEXIOMJACIAKQ-UHFFFAOYSA-N 363.465 2.898 0 50 FFAA CC(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 333072561 GUNUNGWAAJAYFI-JKSUJKDBSA-N 364.490 2.560 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 237654204 AXZWIEGMSNYULC-HXUWFJFHSA-N 355.365 2.994 0 50 FFAA Cc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc(O)n1 180158357 OSTWRRDDWUJZAY-UHFFFAOYSA-N 373.840 2.737 0 50 FFAA CN(C)[C@@H](CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1)c1ccco1 126638466 UXFBNRXQMMUAEA-GHTZIAJQSA-N 369.465 2.766 0 50 FFAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CCc2ccccc2O1 219903595 JPZBXDIISFSFIC-IBGZPJMESA-N 362.433 2.531 0 50 FFAA COc1ccc(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)cn1 154357065 UCLNYBWGLMJURJ-INIZCTEOSA-N 365.311 2.600 0 50 FFAA O=C(c1ccn(C2CCCC2)n1)N1CCC(C(=O)N2CCCCC2)CC1 363834456 VGRYRGVVZXGGHO-UHFFFAOYSA-N 358.486 2.863 0 50 FFAA COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)c1 72169395 CMGRYQAYHBPYRP-CQSZACIVSA-N 369.417 2.961 0 50 FFAA Cc1cccc2nc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cn12 155497006 QFORYFYOQBPNIS-INIZCTEOSA-N 363.465 2.993 0 50 FFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1-n1cccn1 216338986 RBUWCQNMXIPGCO-UHFFFAOYSA-N 355.463 2.908 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N[C@@H](C)c3cnn(C)c3)nc2)n1 39557981 NHJPPRHZGNHSKL-LBPRGKRZSA-N 370.482 2.937 0 50 FFAA CCOc1ccc(CCCNC(=O)c2cnc3c(c2)nc(N)n3CC)cc1 77538854 UEJNMZTZOMWLAW-UHFFFAOYSA-N 367.453 2.795 0 50 FFAA COc1ccccc1-n1cc(CN2CCC(c3nccn3C)CC2)cn1 216072729 KDAZHKJORBEESM-UHFFFAOYSA-N 351.454 2.994 0 50 FFAA COc1cccc(OC[C@H]2CCCN(C(=O)CN3CCCCCC3=O)C2)c1 77505160 AGZYUCLNSINSKK-KRWDZBQOSA-N 374.481 2.715 0 50 FFAA O=C(c1n[nH]c2c1CCC2)N1CCC(N2CCc3cc(F)ccc32)CC1 374955034 OQPKVLSBLZNONE-UHFFFAOYSA-N 354.429 2.705 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2CCC(Cc3cccnc3)CC2)CC1 378428742 RQFDZRVWRJDHEN-UHFFFAOYSA-N 357.498 2.757 0 50 FFAA CC[C@@](CNC(=O)c1cccc(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1 263126890 YNFMLLXCRHHMND-NRFANRHFSA-N 368.433 2.551 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3cnc(C)nc3)CC2)OC1=O 77506140 NYVMLZOWZQHHDS-UHFFFAOYSA-N 360.458 2.792 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2=O)cc1 77439517 QKIUNGIGPOVCMI-UHFFFAOYSA-N 360.417 2.874 0 50 FFAA CC[C@H]1CN(Cc2cncn2CCOC)CCC(=O)N1Cc1ccccc1 71748526 DIBJINCWLGPRHU-IBGZPJMESA-N 370.497 2.543 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)c2cnn3c2CCCC3)CC1 72407061 JDRZZKZXSNXLAG-UHFFFAOYSA-N 351.450 2.982 0 50 FFAA COc1ccc2nc(-c3noc([C@@H]4CC[C@H](C(=O)N(C)C)O4)n3)ccc2c1 288939050 JIMXCJZBOALVGH-JKSUJKDBSA-N 368.393 2.602 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1COCC[C@@H]1Oc1ccccc1 223131901 FZGNRKHYTCFRCT-CABCVRRESA-N 363.360 2.940 0 50 FFAA O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2cccs2)CC1 17074689 UQBLCHOYWDIPMA-UHFFFAOYSA-N 362.929 2.970 0 50 FFAA CC1(C)CN(C(=O)NCc2nccc(C(F)F)n2)C[C@H](C(F)(F)F)O1 291615431 BPFVCGDENCJVPK-SECBINFHSA-N 368.306 2.666 0 50 FFAA O=C(NC[C@@]1(O)CCOC1)c1oc2ccccc2c1COc1ccccc1 178935900 KHSKCMYUFJQNDM-NRFANRHFSA-N 367.401 2.893 0 50 FFAA NC(=O)c1cccnc1N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 82108148 JADWNHQGYMFUAA-QGZVFWFLSA-N 361.449 2.809 0 50 FFAA COc1ccccc1-c1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)n[nH]1 426531734 NCKHBYACVURPOW-AWEZNQCLSA-N 363.421 2.895 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc(-c3cc[nH]n3)o1)C2 95376882 PJYHAZFCIWUKAT-JKSUJKDBSA-N 366.469 2.798 0 50 FFAA CN(C)[C@@H](C(=O)NCCc1nc2ccccc2n1C)c1cccc(F)c1 95362262 LHPPROVVJZJOHT-LJQANCHMSA-N 354.429 2.674 0 50 FFAA O=C(NCCN1CCCC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95373790 YEZIBBFPNLOLHC-UHFFFAOYSA-N 352.413 2.966 0 50 FFAA Cc1nc2ccc(-n3nc(CC(N)=O)nc3CSCC3CC3)cc2s1 96132413 FHGWADOJMLJJRT-UHFFFAOYSA-N 373.507 2.856 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3ccccn3)[C@@H]3C4CCN(CC4)[C@H]23)c1 95388348 JYAIYZMPWOEOLV-CEWLAPEOSA-N 363.461 2.793 0 50 FFAA C[C@@H](O)c1cccc(-c2ccc(C(=O)NC3CCN(CCO)CC3)cc2)c1 426635655 XHCOZFPVHPKIDI-MRXNPFEDSA-N 368.477 2.593 0 50 FFAA C[C@H]1CCc2sc(C(=O)N3CCN(Cc4nccn4C)CC3)cc2C1 92022046 KDUSFEDBQQFVPV-AWEZNQCLSA-N 358.511 2.564 0 50 FFAA CN(Cc1nc(-c2cccnc2)no1)C(=O)CCCOc1ccccc1 91915371 BTKRWFHAFDGXJX-UHFFFAOYSA-N 352.394 2.949 0 50 FFAA O=C(O)c1ccc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nc1 91651120 RCQQNOPZQOHWQG-KRWDZBQOSA-N 363.421 2.804 0 50 FFAA CN(C)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 91691541 AIUKPPSSKXJHGR-LAUBAEHRSA-N 364.493 2.884 0 50 FFAA O=C(O)Cn1nc(C2CCCC2)nc1-c1cccc(Cn2cccn2)c1 97370395 MNHKTAXXAUSHLP-UHFFFAOYSA-N 351.410 2.932 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(O)cc2)n[nH]1 95368702 KOJDSEMRJAZMLB-UHFFFAOYSA-N 361.361 2.762 0 50 FFAA CCn1nc(C)c(CCNC(=O)c2cc3cc(OC)ccc3n2C)c1C 97575008 QWWXFSKJPQKWIJ-UHFFFAOYSA-N 354.454 2.993 0 50 FFAA O=C([C@H]1CCOc2ccccc2C1)N1CCN(C2CCSCC2)CC1 95530385 SHONGFWDNQVTCT-KRWDZBQOSA-N 360.523 2.668 0 50 FFAA C[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1nnc(N)s1 244690836 IXTRNFWLBMPYLQ-ZDUSSCGKSA-N 359.499 2.600 0 50 FFAA COCc1nc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)no1 240128306 IPNAQGZPEOXMBZ-UHFFFAOYSA-N 371.359 2.718 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cn2)n1 299742339 BFRDHTVWBXNBED-UAGQMJEPSA-N 368.437 2.742 0 50 FFAA COCC1(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)CCCC1 534587219 UOFJAZAEVURQCJ-JXMROGBWSA-N 357.498 2.986 0 50 FFAA Cc1nc(NC(=O)NC2CCN(Cc3ccccc3)CC2)nn1C(C)C 48121604 BDDRRSWRVVKQHP-UHFFFAOYSA-N 356.474 2.954 0 50 FFAA CCOC1CC2(CCN(C(=O)c3cc(S(C)(=O)=O)ccc3CC)C2)C1 286285720 PERDXAXVHHMITA-UHFFFAOYSA-N 365.495 2.684 0 50 FFAA CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3c(C)noc3C)s2)C[C@@H]1N 95358040 IVTALTIUGLMJIS-STQMWFEESA-N 369.512 2.768 0 50 FFAA COc1ccc([C@@H](NC(=O)CCn2nccc2C)c2ccncc2)cc1 299775425 CGKXLQLYWRENCQ-HXUWFJFHSA-N 350.422 2.891 0 50 FFAA CCc1cccc(C)c1N1C[C@H](C(=O)N(CC)Cc2noc(C)n2)CC1=O 299780623 BBLLKWCNNSRJKG-MRXNPFEDSA-N 370.453 2.650 0 50 FFAA CC(=O)N1CC[C@@H](Nc2nc(-c3ccccc3)nc3ccccc23)[C@H](O)C1 299767266 JIALVYLLOOPGLL-RTBURBONSA-N 362.433 2.690 0 50 FFAA CN(C)c1nc(-c2cccc(C(=O)N3CCc4ccccc4C3)c2)nn1C 299789175 SEAQDVSJOMQYLG-UHFFFAOYSA-N 361.449 2.747 0 50 FFAA CN1CCN(CCC(=O)Nc2ccsc2C(=O)O)C[C@H]1c1ccccc1 299798356 SNVKDLDFRIEGSK-INIZCTEOSA-N 373.478 2.764 0 50 FFAA COc1ccccc1-c1noc(CCCC(=O)N2CCC3(CCO3)CC2)n1 299781408 VUHSQTPHKLNLRM-UHFFFAOYSA-N 371.437 2.849 0 50 FFAA CC1(C(=O)NC[C@@H]2C[C@@]3(CCN(c4nc5ccccc5o4)C3)CO2)CC1 1875405196 ZLZWQECDSUXEPL-VBKZILBWSA-N 355.438 2.730 0 50 FFAA Cc1oc2ccccc2c1C(=O)N[C@H]1CCOC[C@H]1Nc1ccncn1 952888081 CDZOYGHBBUTBRG-LSDHHAIUSA-N 352.394 2.531 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)C1 1875371822 MSXISKUJTUIRDG-MYODQAERSA-N 354.859 2.748 0 50 FFAA C[C@H](NC(=O)c1conc1C(F)(F)F)C1CN(C(=O)C2(C)CCCC2)C1 1875303189 AJUSRPJJEYGLGV-JTQLQIEISA-N 373.375 2.850 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2cc(Cl)c3c(c2)OCCCO3)CC1 1875370141 DAPGNNFGVLAVLE-UHFFFAOYSA-N 364.829 2.864 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)c2cc(Cl)cn2C)n1 952974773 NIKAVDIEZRAKOV-GFCCVEGCSA-N 352.822 2.618 0 50 FFAA O=C(c1ccco1)N1CCC[C@H](NCc2cc3ccccc3nc2O)C1 952964097 NBZGWYIVEOZWLI-INIZCTEOSA-N 351.406 2.928 0 50 FFAA Cc1ccc(NC(=O)N(C)C[C@@H](O)COCc2ccc3c(c2)OCO3)cc1 888093109 RZKJFZWDRFRVEO-QGZVFWFLSA-N 372.421 2.765 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC[C@H](n3cncn3)C2)ncn1 275486782 AHNFAEUYJZLGHE-FCEWJHQRSA-N 371.489 2.525 0 50 FFAA C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)C1 278426035 CGYOGYNJIBXGDZ-ZDUSSCGKSA-N 363.421 2.822 0 50 FFAA CCOC(=O)c1csc([C@@H]2CCCN2c2cc(C)nc(COC)n2)n1 170611276 QMXAQQQMEULZEF-ZDUSSCGKSA-N 362.455 2.906 0 50 FFAA Clc1cnc(N2CC[C@H](CN3CCOCC3)C2)c(Br)c1 170603441 ZGCVZSYSXITLAD-LLVKDONJSA-N 360.683 2.656 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 804779 CEGZDFAUDMSJAG-UGSOOPFHSA-N 354.406 2.993 0 50 FFAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NC(=O)C2CCCC2)C1 12056831 FQCMFIVIVUIUCW-KRWDZBQOSA-N 372.513 2.758 0 50 FFAA CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1nccn1C 12299559 HWMOFTKKROYKIV-UHFFFAOYSA-N 355.398 2.609 0 50 FFAA CC(C)CCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C(C)C 12433045 FKMJBOFSGXULRD-UHFFFAOYSA-N 371.547 2.722 0 50 FFAA O=C(CSc1ncccn1)N[C@H]1CCCN(CCCc2ccccc2)C1 12595132 KTEKLWYDTVTEQB-SFHVURJKSA-N 370.522 2.782 0 50 FFAA O=S(=O)(Cc1ccccc1F)N1CCN(c2ccccc2F)CC1 16579450 BQUSTRBFOLRJRZ-UHFFFAOYSA-N 352.406 2.617 0 50 FFAA CCC(=O)N[C@@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl 2706992 LPIAISLXGLKYIC-JTQLQIEISA-N 370.689 2.901 0 50 FFAA COCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 2853753 IVGRGMLWAXZRPO-UHFFFAOYSA-N 362.813 2.734 0 50 FFAA Cc1nc([C@@H](N)C(C)C)n(CC(=O)N2CC=C(c3ccccc3)CC2)n1 1857704778 FROCBDFNOYAWFO-IBGZPJMESA-N 353.470 2.558 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2ccccc2)cc1O 1857714700 HXZYBDMALXPSCR-PMACEKPBSA-N 354.450 2.845 0 50 FFAA O=C(c1cccc2cnccc12)N1C[C@@H]2CC[C@H]1CN(c1cnccn1)C2 222080604 PRRAFZIIYHWVLT-WBVHZDCISA-N 359.433 2.766 0 50 FFAA CC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccccc1 248205661 AWXFTFRNONFISP-YADHBBJMSA-N 371.569 2.941 0 50 FFAA O=C(N[C@H]1CCc2[nH]ncc2C1)N(CCCO)Cc1cccc(Cl)c1 154630520 VNHWPTMLFOYCSD-INIZCTEOSA-N 362.861 2.515 0 50 FFAA Cc1ccc(OCc2nc(CC(=O)NCC[C@@H]3CCNC3)cs2)cc1 262571229 HIOKIWYOEOOJSO-HNNXBMFYSA-N 359.495 2.689 0 50 FFAA Cc1ccc(C(=O)N2CCN[C@@H](c3cnn(C)c3)C2)cc1C(F)(F)F 913475872 OYKHWTDCTMGDRM-OAHLLOKOSA-N 352.360 2.534 0 50 FFAA Cc1nc2ncccc2cc1CCC(=O)NC[C@H]1CN(C)CCC1(F)F 2325804898 AWIMLZUZYLOYQR-INIZCTEOSA-N 362.424 2.574 0 50 FFAA COc1ccc(CCC(=O)NCc2ccc(OC)c(OC)c2)cc1OC 638964 OJRUNBIJUZETOZ-UHFFFAOYSA-N 359.422 2.970 0 50 FFAA O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 6697496 RUPYJJDFNZWYFF-UHFFFAOYSA-N 367.430 2.812 0 50 FFAA O=C(c1ccco1)N1CCCN(C(=O)c2ccc([C@H]3CCCN3)s2)CC1 20210406 WYFUPJMBRSSIGA-CQSZACIVSA-N 373.478 2.754 0 50 FFAA CCOCCC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 9224844 PEHQUDGGKLQGAJ-ZDUSSCGKSA-N 374.466 2.732 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](c2ccccc2)C(C)C)C1 58062362 XPRAHMPATQEPKG-IRXDYDNUSA-N 352.500 2.562 0 50 FFAA CCC1(CC)[C@H](NC(=O)c2cnc3c(cnn3C)c2OC)[C@H](C)[C@H]1OC 248374254 OYVXZLTUUOSYSO-IUIKQTSFSA-N 360.458 2.546 0 50 FFAA C[C@H]1CCCN([C@H](C)CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)C1 249367271 VGRSGDCDQCWWFA-LSDHHAIUSA-N 356.474 2.724 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 10302266 UKFDBKKDNRZWPJ-JTQLQIEISA-N 365.282 2.994 0 50 FFAA Cc1ccc(CNC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 10327239 PZXHRJBHTJXSDC-UHFFFAOYSA-N 353.447 2.873 0 50 FFAA O=C(c1cccc(=O)[nH]1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67754466 LBSQVWUBHSYDGS-UHFFFAOYSA-N 362.433 2.709 0 50 FFAA CC(C)[C@H](C(=O)Nc1cccc(F)c1)n1c(=O)[nH]c2ccccc2c1=O 25077036 CUQJNVDTOUCMBY-MRXNPFEDSA-N 355.369 2.665 0 50 FFAA COC(=O)CCNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1 20406329 NBPRFZRTOFJHBI-UHFFFAOYSA-N 368.393 2.706 0 50 FFAA C[C@@H](NC(=O)c1cnn(C)c1Cc1ccccc1)C(=O)Nc1ccccc1 444997017 DPOAODPTHJEHLL-OAHLLOKOSA-N 362.433 2.768 0 50 FFAA Cc1cccc([C@H](O)CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 121710171 HXKKSPDCKGEZFS-VQTJNVASSA-N 366.461 2.840 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)N(C)Cc2cc(C)on2)n1C 328621565 HVEYXGMNARZJCE-KRWDZBQOSA-N 358.442 2.667 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncnc2c1cnn2C(C)(C)C 328638487 WLNWUJJHYRUZNB-XJKSGUPXSA-N 369.473 2.987 0 50 FFAA O=C(COc1ccc2ccccc2c1)N[C@H]1CCCN(C(=O)C2CC2)C1 67817990 ZADBDDRGGPJHPT-SFHVURJKSA-N 352.434 2.736 0 50 FFAA Cc1nn2c(CN3CC[C@H](n4cnc5c4CCCC5)C3)c(C)nc2s1 333415977 HSBBRRJKGFHNET-AWEZNQCLSA-N 356.499 2.930 0 50 FFAA CC(C)Cc1nc([C@H](C)N2CCCC2=O)n(-c2ccc3c(c2)OCO3)n1 65370059 NHFMGEAWZONJDH-ZDUSSCGKSA-N 356.426 2.878 0 50 FFAA NC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2765312 CXCKWSZFLDQGQL-UHFFFAOYSA-N 352.316 2.517 0 50 FFAA CN(CC(=O)O)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 153082957 AYLUYXKADQVTHD-UHFFFAOYSA-N 365.183 2.793 0 50 FFAA Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 332006069 CNJCJCFYWDUXHK-BXUZGUMPSA-N 354.332 2.940 0 50 FFAA CC(C)[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O)C(=O)O 156333174 QAHIZXXELNEUIM-CHWSQXEVSA-N 373.236 2.572 0 50 FFAA Cc1ccccc1N1CCN(C(=O)CCn2nnc3ccccc32)[C@@H](C)C1 77540092 NVCJNFBWYLVXOY-KRWDZBQOSA-N 363.465 2.867 0 50 FFAA O=C(C[C@H](O)c1cccc(F)c1)N1CCC(c2noc(C3CC3)n2)CC1 372071087 BVUMFPYAODWNRS-INIZCTEOSA-N 359.401 2.916 0 50 FFAA CN(Cc1cn2ccccc2n1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284760712 GEYVNUIKYOWGHR-OXJNMPFZSA-N 352.486 2.583 0 50 FFAA O=C(O)C1(Oc2ccccc2)CCN(Cc2cccc3nonc23)CC1 72474825 YCYDFWDSUJVQGX-UHFFFAOYSA-N 353.378 2.721 0 50 FFAA O=C(NCC[C@H]1CCNC1)c1cccc(OCc2cn3ccccc3n2)c1 262594618 UAAMEOJTNDFFPX-MRXNPFEDSA-N 364.449 2.643 0 50 FFAA NCC1(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)CCCCC1 262685269 UVIGODLRYVORQD-UHFFFAOYSA-N 358.486 2.624 0 50 FFAA O=C1NCCN(C(=O)c2cc(-c3ccccc3)on2)[C@H]1Cc1ccccc1 77538956 WXOSOMBBCWTXQY-SFHVURJKSA-N 361.401 2.525 0 50 FFAA CC(C)c1cc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)[nH]n1 72156042 HXMNTBXQZLMOOW-UHFFFAOYSA-N 352.438 2.684 0 50 FFAA COc1ccc(OC2CCN(C(=O)CN(C)Cc3ccccn3)CC2)cc1 77565732 HOBPCTJLFGMMDX-UHFFFAOYSA-N 369.465 2.592 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)NCCC(=O)NC2CCCCC2)cc1 72436573 XWMGUXNPUKRGGP-UHFFFAOYSA-N 360.498 2.959 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC(=O)N(c2ccccc2Cl)C[C@H]1C 82098275 RTOPOMVWZVWPOK-GFCCVEGCSA-N 374.872 2.876 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)N[C@@H](C)c2nncn2C(C)C)CC1 426477190 JPBGIHWIINCBLU-INIZCTEOSA-N 371.489 2.545 0 50 FFAA CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cccc(F)c3F)cc2)C1 426555836 FXUHMLNGJICNSN-MRXNPFEDSA-N 374.387 2.609 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)NCc2cc(-c3ccccn3)no2)n1 426369245 OKXTZFVDWMZLPB-INIZCTEOSA-N 368.397 2.865 0 50 FFAA O=C(c1cccc(-c2ccco2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 221220639 IOSLWOCIEKMZCT-GOSISDBHSA-N 368.433 2.658 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N1CCC[C@@H]1Cn1cccn1 426503091 FQHIDAWWSCMMHX-QGZVFWFLSA-N 365.441 2.723 0 50 FFAA Cc1ccc(Cl)c(CN2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c1F 95391114 BXZXNVHBVWMARS-ZDUSSCGKSA-N 368.836 2.685 0 50 FFAA CN1CC2(CCN(C(=O)c3ccc([C@H]4CCCO4)s3)CC2)OC1=O 92001944 TXQOBSRSTKAVML-GFCCVEGCSA-N 350.440 2.656 0 50 FFAA O=C(CCCn1cncn1)N[C@H]1CN(C2CCCCCC2)C[C@@H]1C1CC1 91871932 XBUQZCKVRCRICK-MOPGFXCFSA-N 359.518 2.608 0 50 FFAA CC(C)c1ccccc1NC(=O)NCC[C@@H]1CCC(=O)N1CCN(C)C 96132940 YZQZSXUPDZHZLL-INIZCTEOSA-N 360.502 2.874 0 50 FFAA COC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(OC)cc2OC)C1 95508542 DEGKXEZCWIHPNO-AWEZNQCLSA-N 364.442 2.579 0 50 FFAA CCO[C@@H](C)c1nc(Cn2cncn2)nn1-c1ccc2nc(C)sc2c1 96138047 BSZTVSJXPHNKQU-NSHDSACASA-N 369.454 2.923 0 50 FFAA Cc1ccc2nc(CN(C)C(=O)c3cnc(-c4cccnc4)nc3O)[nH]c2c1 92019359 SAJYXZZBKLOXOU-UHFFFAOYSA-N 374.404 2.701 0 50 FFAA O=C(c1ncc(F)cc1F)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91818229 KOGRYGDDGAPCLT-GOEBONIOSA-N 371.387 2.623 0 50 FFAA CC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1ncnn1CC 91876390 ZGJLLSJJVKTTRD-CQSZACIVSA-N 354.414 2.578 0 50 FFAA CCn1nc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)c2ccccc21 95383890 CUACFWIVEXTGKV-UHFFFAOYSA-N 368.481 2.711 0 50 FFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(=O)nc3sccn23)C1 95501177 TVRZBFQQDUZDCY-IBGZPJMESA-N 353.447 2.950 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCCN(C)C2(CCNCC2)C1 243901796 BDZZQURRMQOOKN-SFHVURJKSA-N 373.541 2.865 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)NCc3nc4c(s3)CCCC4)c2c1 243893231 APPXDTPPAVUNBN-UHFFFAOYSA-N 371.462 2.945 0 50 FFAA COc1ccc2[nH]c(CCN(C)Cc3nc(C(F)(F)F)no3)nc2c1 252510021 ZAIDYAUTTPIRBV-UHFFFAOYSA-N 355.320 2.648 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cn2)C[C@@H](C)O1 299292719 KAAZAJGPTMEPOZ-BETUJISGSA-N 351.410 2.824 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 299382509 WVOJKUUBBCVWLX-QWHCGFSZSA-N 361.316 2.786 0 50 FFAA C[C@]12C(=O)O[C@@]34CCC[C@H]3[C@H]3[C@@H]([C@H]5[C@H]1[C@H]1CCC[C@@]16OC(=O)[C@]3(C)[C@H]56)[C@H]42 253596012 MAQOZODVFUNEDC-AVYAOYCOSA-N 354.446 2.942 0 50 FFAA COc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)cc1 263618229 RVMQYFMUKQBUPU-KRWDZBQOSA-N 350.378 2.811 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)NCCn2nc(C)c(C)c2C)c1 299772024 XWPLCSHJRSOGHK-UHFFFAOYSA-N 373.457 2.523 0 50 FFAA CO[C@@]12CC[C@@H](OCC(=O)O)C[C@@H]1N(Cc1ccc(F)cc1C)CC2 299797597 PJRNWTKYNUKQKQ-ZIFCJYIRSA-N 351.418 2.747 0 50 FFAA CC(C)CN(C)C(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1 299773331 DYMURLDIEILPTQ-GFCCVEGCSA-N 363.483 2.741 0 50 FFAA Cc1cc(NC(=O)NCCSc2nccn2C)ccc1N1CCCC1=O 299797539 PFWFNIHMYOAHJI-UHFFFAOYSA-N 373.482 2.769 0 50 FFAA COc1ccc([C@]2(C(=O)NCCCc3nnc(N)s3)CC2(C)C)cc1 299788455 PKPVYCMIQYJSMP-SFHVURJKSA-N 360.483 2.546 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)[C@H]2C1 299798071 OXDXOBOJLTZTPI-IMFGXOCKSA-N 355.438 2.875 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@]2(C1)C(=O)N(C)c1ccccc12 299801167 VHOOSIDHLWAZAG-NRFANRHFSA-N 367.449 2.761 0 50 FFAA Cc1cc(C)n(CCN(C)C(=O)NCc2ccc3c(c2)nc(C)n3C)n1 584887218 OSHWSVVHAZBEFP-UHFFFAOYSA-N 354.458 2.537 0 50 FFAA Cc1nsc(N2CCC[C@H](NC(=O)C[C@H]3OCCC3(C)C)[C@@H]2C)n1 1875405700 MOYODAPCUQKCMT-FPMFFAJLSA-N 352.504 2.525 0 50 FFAA CO[C@@H]1C[C@H](CNC2CC(c3ccc(F)cc3)C2)N(c2ccncn2)C1 952887918 WKOOGCZXXUSTMD-JDGDGYACSA-N 356.445 2.745 0 50 FFAA Cc1nc(C(=O)N2CCCC23CCCCC3)nc(N2CC[C@@H](N)C2)c1C 1875301080 CSAVISRPJPGKDT-MRXNPFEDSA-N 357.502 2.570 0 50 FFAA C[C@H](CC1CN(C(=O)C2CSC2)C1)NC(=O)c1ccccc1Cl 1875331827 DNHPDXYFSZYCNX-LLVKDONJSA-N 352.887 2.670 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)no1 1875339411 IUGULIOXFPNEJT-UHFFFAOYSA-N 374.300 2.853 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 952972226 DYEIIEGYODLWRZ-CQSZACIVSA-N 371.437 2.601 0 50 FFAA CN(C)c1ccc(Cl)cc1NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 952975039 GOLWACZRPDIVOV-BETUJISGSA-N 362.865 2.692 0 50 FFAA CN(C)c1cc(CNC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)ccn1 888103255 SGWWQVIMFQCAKS-GOSISDBHSA-N 358.486 2.638 0 50 FFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 172022736 MHNFBCLGJHOPDL-QOKNQOGYSA-N 354.406 2.822 0 50 FFAA O=C(CCn1c(S)nnc1-c1cccs1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 225424309 RQSVBZJXZBVNDJ-NUZBWSBOSA-N 360.508 2.846 0 50 FFAA CN(C(=O)c1ccnc2ccncc12)[C@@H]1CCN(Cc2ccccc2)C1=O 191828634 WGGFSSQXVYCEDH-LJQANCHMSA-N 360.417 2.503 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NC1CCN(CCc2ccccc2)CC1 194437740 QLGQTXHEWQYQAO-UHFFFAOYSA-N 366.461 2.781 0 50 FFAA CC(C)Oc1cccc(CC(=O)NCc2cccnc2-n2ccnc2)c1 195082779 PILUKBLLOVJNIP-UHFFFAOYSA-N 350.422 2.913 0 50 FFAA COc1ccc2[nH]c(CNc3ncc(F)c(N4CCOCC4)n3)cc2c1 1529191671 BGYVPNRYQNPRMO-UHFFFAOYSA-N 357.389 2.554 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529119116 BWHUKIQMTIQLGU-UYAOXDASSA-N 369.465 2.508 0 50 FFAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 1032363 MJSVRCSFAVEJIJ-UHFFFAOYSA-N 359.325 2.913 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(C)(C)C)s2)cc1 792546 WFXYSAFJJJISBJ-UHFFFAOYSA-N 368.484 2.886 0 50 FFAA CCc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 817078 WIBMADMGWYTFPW-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA Cc1ccc(N2CCC(N3CCC([C@@H](O)CO)CC3)CC2)cc1Cl 1772708782 JRVGKQZXZBCLDO-IBGZPJMESA-N 352.906 2.682 0 50 FFAA COc1ccc(Cc2nc(-c3cscn3)n([C@@H]3CCOC3)n2)cc1OC 1772812090 AIDFGYGLHHJDOZ-CYBMUJFWSA-N 372.450 2.971 0 50 FFAA Cc1nc(CN(C)C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)no1 1772811561 ZDVZBBYBRGRSHV-CYBMUJFWSA-N 369.450 2.660 0 50 FFAA COc1ccc(C(=O)N2CCCN(CCCn3cccc3)CC2)cc1OC 1772703559 XYIWKJDGIIRQBW-UHFFFAOYSA-N 371.481 2.744 0 50 FFAA Cc1cc(C(=O)N2CCCN(c3nccc4ccccc34)CC2)nc(C)n1 1772810280 KAEYEPODHWLLMT-UHFFFAOYSA-N 361.449 2.994 0 50 FFAA O=C1[C@@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)N1c1ccc2c(c1)CCC2 11786722 KZDMNHXZTQGLLE-OALUTQOASA-N 362.429 2.894 0 50 FFAA Cc1cccc(CCNC(=O)[C@@H]2CCCN(C3CCN(C(C)C)CC3)C2)n1 11821990 BNZXHLGEQLBRJQ-LJQANCHMSA-N 372.557 2.634 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCCC[C@H]2CC)c1=O 12454316 MRGAUIBSXDPHQX-OAHLLOKOSA-N 361.486 2.659 0 50 FFAA Cc1cc(OC(C)(C)C(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 13744976 MYIAHCKSTKXLOG-UHFFFAOYSA-N 374.872 2.945 0 50 FFAA CCN1CCN(C(=O)CCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)CC1 14951482 ZXMCDJGHBYHCOL-IBGZPJMESA-N 361.530 2.526 0 50 FFAA O=C1O[C@@H]2CN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2N1C1CCCC1 19222255 VEGMOUQVTUNLPY-RBUKOAKNSA-N 370.428 2.959 0 50 FFAA COc1ccc(CC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1OC 150749524 ARKSCWLPVAQCCV-ZDUSSCGKSA-N 354.406 2.868 0 50 FFAA COCCc1noc(CN(C)C(=O)NCc2ccc(Cl)cc2Cl)n1 158967466 GEOPGWPZOVKGTP-UHFFFAOYSA-N 373.240 2.907 0 50 FFAA CCOCCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1775279 NFVMGWKOORQLNW-NEPJUHHUSA-N 364.467 2.724 0 50 FFAA O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CC(=O)N(c2ccccc2)C1 4841532 IJQHCBKYYGRUIH-OAHLLOKOSA-N 363.373 2.833 0 50 FFAA O[C@]1(Cn2ccnc2-c2ccc(OCCc3ccccc3)cc2)CCNC1 1857733480 MAAMWDCMLBFSHT-JOCHJYFZSA-N 363.461 2.896 0 50 FFAA Cc1ccccc1C1=NN(C(=O)CCN2CCOCC2)[C@H](c2ccco2)C1 408525722 WVBDLJIMWHXSPS-IBGZPJMESA-N 367.449 2.988 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](N)C[C@H]2C)c(Br)c1 408519175 NPELVGPMSFFLHA-JHJVBQTASA-N 355.276 2.863 0 50 FFAA COCCn1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)n1 151367010 KIUVGJUBBNUYAI-QGZVFWFLSA-N 371.485 2.658 0 50 FFAA CN1CCC(=O)Nc2cc(C(=O)N3CCN(CCC(C)(C)C)CC3)ccc21 155755872 FXIMXWLCKJXYAV-UHFFFAOYSA-N 372.513 2.659 0 50 FFAA C[C@H](N[C@H](C)c1cn(C)nn1)c1ccc(NC(=O)c2ccncc2)cc1 902802804 CJBQCPZDLBPVIG-UONOGXRCSA-N 350.426 2.874 0 50 FFAA C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCc2cnc(N)nc2C1 857968180 FPHNPIWXEUDBJH-HNNXBMFYSA-N 361.449 2.863 0 50 FFAA C[C@]1(C(F)F)C[C@H]1C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 2325792423 AFXDIKJEMPKNTG-SGTLLEGYSA-N 351.397 2.618 0 50 FFAA Cc1nccn1Cc1ccc(NC(=O)c2conc2C2CCNCC2)cc1 2325801022 RJIVPUPBKGXVQW-UHFFFAOYSA-N 365.437 2.947 0 50 FFAA CC1(C)C[C@@](C)(C(=O)NCc2nccn2CCCc2ccccc2)CN1 2325809136 JDJQGVVGEBJQOP-OAQYLSRUSA-N 354.498 2.910 0 50 FFAA O=C1Nc2ccc(Br)cc2CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(F)F 882737110 ZQKDMYYBUMDWIZ-NHCYSSNCSA-N 373.197 2.720 0 50 FFAA CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)s1 877840 CDMMEGTZBIAXKX-UHFFFAOYSA-N 374.495 2.935 0 50 FFAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 2059031 ZTYVSMBOIXMLAG-UHFFFAOYSA-N 370.224 2.656 0 50 FFAA Cc1ccccc1-c1noc(CCC(=O)N[C@H](CO)c2ccccc2)n1 55255182 YPEDBPFXHIXQNQ-QGZVFWFLSA-N 351.406 2.827 0 50 FFAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)CCCn1cncn1 55211487 RDLZVFRXUZFUFA-UHFFFAOYSA-N 358.833 2.904 0 50 FFAA COc1c(C)cccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 22467439 RYJIXBGQKGYAEP-UHFFFAOYSA-N 354.406 2.728 0 50 FFAA CN(Cc1cc(-c2ccccc2)on1)c1cc(C2CC(N)C2)nc(N)n1 222951754 HINZMFAYTVVMCG-UHFFFAOYSA-N 350.426 2.555 0 50 FFAA CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1ccccc1C 67604472 UPMVCLKFATZJPF-WBVHZDCISA-N 352.500 2.624 0 50 FFAA CN1C(=O)COc2cc3c(cc21)NC(=O)C[C@@H]3c1nc2c(s1)CCCC2 65387889 QJSHFGOZBRCWEM-NSHDSACASA-N 369.446 2.851 0 50 FFAA Cc1cccnc1C[C@@H](C)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67880589 DUQVGPRFPHZUTF-OAHLLOKOSA-N 374.448 2.872 0 50 FFAA C[C@@H](CNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)Cn1ccnc1 126527209 LGJBFTIBLSGICX-HNNXBMFYSA-N 362.433 2.946 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)[C@H](C)c2ccon2)n[nH]1 12306916 VOYLWZYKXPQYIZ-GFCCVEGCSA-N 364.409 2.937 0 50 FFAA COCCN1C[C@@]2(CCCN(Cc3csc(C(C)=O)c3)C2)CCC1=O 77287666 RXWAHPIRXFNQTD-IBGZPJMESA-N 364.511 2.802 0 50 FFAA CC(C)c1cccc(C(=O)O)c1NS(=O)(=O)c1c(Cl)cnn1C 485396192 TTWWJSCPQJVNCZ-UHFFFAOYSA-N 357.819 2.696 0 50 FFAA Cc1nc(CN2CCC3(CC2)CN(C[C@@H](C)c2ccccc2)C(=O)O3)no1 77408240 WYWHZGBDSRUAOY-OAHLLOKOSA-N 370.453 2.969 0 50 FFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCCO[C@H](CN2CCCC2)C1 215240512 IRXIFXRBEPQUCZ-QGZVFWFLSA-N 370.415 2.961 0 50 FFAA Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cnc2c(c1)c(C)nn2C 175039339 ZLSSHEBYZYPHQM-GFCCVEGCSA-N 372.450 2.561 0 50 FFAA C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)C[C@@H](C)O1 13139210 PVTOMWGWUQTZET-NQMVMOMDSA-N 355.070 2.518 0 50 FFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3nc(S)oc3c1)CC2 175191556 PNBQRYVVBYUBDN-CABCVRRESA-N 362.451 2.509 0 50 FFAA C[C@H](O)[C@@H]1CN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)CCO1 333829504 SOUDGTVCHOEYAW-BAYHKCFCSA-N 351.472 2.660 0 50 FFAA CCNc1ncc(C(=O)N2CCN(c3ccccc3OC)C(C)(C)C2)cn1 77379975 FZVHYDSQSIWWPA-UHFFFAOYSA-N 369.469 2.658 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(F)c1 262441671 SXIFCCFEAIUISD-UHFFFAOYSA-N 370.380 2.559 0 50 FFAA O=S(=O)(CCn1ccnc1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 77376383 WGOIPBKLAZBLOA-UHFFFAOYSA-N 374.393 2.892 0 50 FFAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ccc(Cl)cn3)CC2)C1 71752767 RQPYTINRVZEXEY-AWEZNQCLSA-N 362.905 2.694 0 50 FFAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C1CCOCC1 238104175 LWCHWTCZLNNJBI-LSDHHAIUSA-N 371.355 2.901 0 50 FFAA Cc1nnc2n1C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)CC2 378539784 SMNPKTDVCOMKSB-OAHLLOKOSA-N 354.458 2.713 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cnn(C)c2)CCCN1Cc1ccc(F)cc1 71721580 WKNSGEBUILQKCD-LJQANCHMSA-N 358.461 2.932 0 50 FFAA CC(C)(C)Oc1c(F)cc(N2C(=O)N[C@@H](Cc3c[nH]cn3)C2=O)cc1F 286356012 PEQWLUYEKQDPQR-ZDUSSCGKSA-N 364.352 2.533 0 50 FFAA Cc1nc[nH]c1C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 72156670 GGVHVCRSRLGYNC-GDIGMMSISA-N 372.419 2.699 0 50 FFAA COC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 44460329 HSOKCYGOTGVDHL-KRWDZBQOSA-N 369.373 2.541 0 50 FFAA CC(C)c1csc(C(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)n1 223276762 REGGVAPRGZJLOM-INIZCTEOSA-N 360.483 2.953 0 50 FFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)COc1ncnc2ccccc12 223845469 JHUZVJCZMCLJIB-UHFFFAOYSA-N 373.416 2.853 0 50 FFAA N[C@@H]1CCN(Cc2cccc(OCc3c(F)cccc3Cl)c2)C[C@H]1O 82133822 PMYZLLCNBDELHW-RTBURBONSA-N 364.848 2.952 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)NCCc2nc(C(=O)O)cs2)c1 426535619 DYNZUHFGWZDSBA-CQSZACIVSA-N 361.423 2.549 0 50 FFAA Cc1ccccc1C(=O)N1CCN(C)[C@@]2(CCC(=O)N(CC3CC3)CC2)C1 95389540 VKSVRLGWLQTEID-JOCHJYFZSA-N 369.509 2.544 0 50 FFAA O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 180334084 VLHCEGSXDFHTDN-CYBMUJFWSA-N 367.852 2.577 0 50 FFAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)NCc1ccc(Cl)cc1 294184557 FNLPREYZKJCXDZ-IMJJTQAJSA-N 350.846 2.674 0 50 FFAA Cc1cc(C)n(CC(=O)N2CCCC[C@H]2CCc2cccs2)c(=O)n1 95384728 YBNVMYKMFVCAFJ-INIZCTEOSA-N 359.495 2.936 0 50 FFAA COCC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 95525963 XLKSYYRUVRMVEV-OAHLLOKOSA-N 358.482 2.628 0 50 FFAA O=C(c1c[nH]nc1-c1ccccc1)N1CCN(C2CCSCC2)CC1 97468703 SGWGQKFYWLEIKE-UHFFFAOYSA-N 356.495 2.730 0 50 FFAA Cc1sc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)nc1-c1ccccc1 239030639 CDQHBOGABLAQTQ-YIYPIFLZSA-N 356.403 2.711 0 50 FFAA Cc1nnsc1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91604261 HDONWHDIRPFSFS-UHFFFAOYSA-N 368.466 2.506 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(CO)o2)C3)cc1 91997611 WAWMDMHENMSELW-DLBZAZTESA-N 370.449 2.517 0 50 FFAA CN(C)C[C@@H]1CN(C(=O)C(C)(C)Oc2cccc3ccccc23)C[C@@H]1CO 91915000 NKFQIZKNOJDUFF-QZTJIDSGSA-N 370.493 2.626 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1ccc(-n3ccnc3)cc1)C2 95366556 HXOQAVJDTZJRGC-HNNXBMFYSA-N 363.417 2.862 0 50 FFAA O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCN(Cc2ccsc2)CC1 95367597 JWHISHKMXKPKKC-UHFFFAOYSA-N 368.462 2.802 0 50 FFAA Cc1noc(C)c1CN1CC2(CCN(C[C@H]3CCCCO3)CC2)CC1=O 91779680 KEQFRMLSXGJCDN-QGZVFWFLSA-N 361.486 2.675 0 50 FFAA CCCc1nnc(NC(=O)CN2CCCN(C3CCCCC3)CC2)s1 244678738 IIZHNUICNIVGJU-UHFFFAOYSA-N 365.547 2.770 0 50 FFAA Cc1cccc2c(O)c(C(=O)NC3CCN(C[C@@H]4CCCO4)CC3)cnc12 253536252 MGSDCKMYNAHAMW-INIZCTEOSA-N 369.465 2.622 0 50 FFAA Cn1c([C@H]2CCCN2C(=O)c2cc(C(N)=O)cs2)nc2ccccc21 299321817 GILRHCDIHPZGEK-CQSZACIVSA-N 354.435 2.711 0 50 FFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1OCCc2ccccc21 299743740 LZMGZBQTOBXXPZ-MOPGFXCFSA-N 364.401 2.594 0 50 FFAA COC[C@H](NC(=O)N(C)CCn1c(C)cc2ccccc21)c1ccnn1C 534664028 DPLQEUYUDBTSKH-KRWDZBQOSA-N 369.469 2.712 0 50 FFAA COc1ccc(N2CCN(C(=O)NCCSC(C)C)[C@H](C)C2=O)cc1 534675254 ANIMKGDGAYRWPF-CQSZACIVSA-N 365.499 2.584 0 50 FFAA C[C@@H]1CN([C@H](CNCc2cnn(C)c2)c2c(F)cccc2Cl)CCO1 261949365 GWIWVPZTIYKNHT-CXAGYDPISA-N 366.868 2.764 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)cc1 299777979 PGNUXUMDNHSHFP-AWEZNQCLSA-N 353.430 2.983 0 50 FFAA C[C@@H]1CN(CCNC(=O)CSc2ccccn2)Cc2ccccc2O1 299770194 QEOTXNMZFWAQSH-OAHLLOKOSA-N 357.479 2.573 0 50 FFAA Cc1cccc2c3c([nH]c12)CCN(C(=O)c1nc(N)nc2c1CCCC2)C3 299766903 CKMBOYZMGWLWKC-UHFFFAOYSA-N 361.449 2.926 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)CN3CCCCC3=O)cn2)c1 824787711 GGWSRJKWVGDFKV-UHFFFAOYSA-N 355.394 2.834 0 50 FFAA Cc1cc(C)n([C@@H](C)CNC(=O)N(C)Cc2cc(-c3ccncc3)no2)n1 584902004 XFWDKTQIMJAEGH-HNNXBMFYSA-N 368.441 2.953 0 50 FFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)NC1CCN(Cc2ccco2)CC1 584885416 QFCINBHFLDITQO-LJQANCHMSA-N 369.465 2.889 0 50 FFAA COC(=O)C[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C2CCCC2)c1 1875264253 DTLCDEICVWWVGT-INIZCTEOSA-N 356.426 2.714 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C(=O)NS(C)(=O)=O)c1ccccc1 1875390669 YXUBMRWYDDDPNB-OAHLLOKOSA-N 353.827 2.844 0 50 FFAA CCN(CC(=O)N1CCC[C@]12CCC[S@@](=O)(=NC)C2)c1ccccc1 1875395589 GFCRQVWQTRVNHD-CLOONOSVSA-N 363.527 2.766 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)cc1 1875371608 GXZCUUZRDNFRNK-UHFFFAOYSA-N 366.343 2.518 0 50 FFAA OCCN1CCN(Cc2cccc(Br)c2Cl)[C@@H](C2CC2)C1 1875379368 RPNZCPQZUYHTFW-OAHLLOKOSA-N 373.722 2.991 0 50 FFAA COCCn1cnnc1CN(C)C(=O)c1c(-c2ccccc2)ccnc1C 952970253 HVSMAEPUMAYHIJ-UHFFFAOYSA-N 365.437 2.567 0 50 FFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCCSCc1ccccc1F)C2 885938877 DJRXUZRULIMACU-XOIINTDNSA-N 351.491 2.828 0 50 FFAA COc1cc(F)c(CN[C@H]2CCCN(C(=O)c3ccco3)C2)cc1OC 952985874 IEBOLASLCBUPPR-AWEZNQCLSA-N 362.401 2.830 0 50 FFAA CC(=O)c1cc2c(cc1NC(=O)c1nn(C)c3ccccc13)OCCO2 952869707 LSVHDEDOCAYZSS-UHFFFAOYSA-N 351.362 2.799 0 50 FFAA CC1(C)C[C@@H](NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CCS1 888811528 PPBALTZCQNSOCJ-LSDHHAIUSA-N 364.536 2.992 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)CC1 275893078 ZSOIZGJCDAXOCG-FQEVSTJZSA-N 352.482 2.667 0 50 FFAA Fc1cc2ncnc(N3CCC[C@@H](c4nnc5n4CCC5)C3)c2cc1F 172757815 ILMWHHGFVQUASZ-LLVKDONJSA-N 356.380 2.830 0 50 FFAA CS(=O)(=O)c1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)o1 411685519 BBPBMFLCAWWBQG-QGZVFWFLSA-N 369.870 2.828 0 50 FFAA CCc1cc(N2CCC[C@H]2c2nc(C(C)C)no2)nc(N2CCOCC2)n1 1529152781 XUDYFFQMTBUQGP-HNNXBMFYSA-N 372.473 2.724 0 50 FFAA O=C(NCCNc1ncccc1C(=O)N1CCCC1)c1ccccc1Cl 1529112982 AUHJRGJNTZIQHH-UHFFFAOYSA-N 372.856 2.813 0 50 FFAA O=C(c1ccco1)N1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2)C1 216915573 HKXBRDCWOADYRZ-MSOLQXFVSA-N 352.434 2.975 0 50 FFAA Cc1cccc(OCC(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1C 1120822 YNSNURRFVVLMTK-UHFFFAOYSA-N 372.446 2.967 0 50 FFAA CN1C[C@@H](CN2CCN(c3cccc(Cl)c3Cl)CC2)CCC1=O 1775979789 MSMWAXKBRMTRMJ-ZDUSSCGKSA-N 356.297 2.984 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H](C4(O)CC4)C3)c2)n1 1772805020 WLXXHCJMHCQTSE-IBGZPJMESA-N 353.466 2.925 0 50 FFAA CN(CCN1CCCCC1)C(=O)c1coc(COc2cccc(F)c2)n1 15073373 PMLSIIOCGVPEIR-UHFFFAOYSA-N 361.417 2.951 0 50 FFAA Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1C 169760107 XUHPMIWDVBYWQE-CYBMUJFWSA-N 364.449 2.876 0 50 FFAA C/C(=C\c1ccccc1)C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12 169780210 IOYBHQYKQVIBQH-JLHYYAGUSA-N 374.404 2.807 0 50 FFAA COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3)n2)cc1 4867924 XRSPUTADLMZYBM-ZDUSSCGKSA-N 353.378 2.829 0 50 FFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O 4917231 TWCYAVOPOFDKRA-AUEGDVLESA-N 371.798 2.652 0 50 FFAA O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccncc1 4487362 PBFOLBNFWVZJTR-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CNC[C@@H]2c2ccccc2)c1 1857530545 PKRDDYNYBJZROW-ZBFHGGJFSA-N 350.871 2.682 0 50 FFAA NC(=O)c1cccc(CN2C(=O)C[C@H](c3cccc(Cl)c3)NC2=O)c1 1857531482 CPFZIOHXBYQOSB-OAHLLOKOSA-N 357.797 2.622 0 50 FFAA Cc1nsnc1C(=O)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857676036 BRBRHXDIMIKSNX-PMUMKWKESA-N 357.435 2.537 0 50 FFAA O=C(c1cccc2c(Cl)cccc12)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857704560 XLIPWVCRVNDCCO-YLJYHZDGSA-N 372.852 2.596 0 50 FFAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857723731 SSSALTAFYHMPFH-GFCCVEGCSA-N 373.844 2.780 0 50 FFAA O=C([C@H]1CC[C@H]2OCCN[C@@H]2C1)N1CCC2(C=Cc3ccccc32)CC1 1857728908 QVNNAEUULRGAKH-DFQSSKMNSA-N 352.478 2.731 0 50 FFAA COc1ccccc1[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1O 119214786 FDLMKNVJIQHPEU-OAHLLOKOSA-N 352.394 2.660 0 50 FFAA C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 12243844 BBGKDYHZQOSNMU-XLLXOSNRSA-N 372.502 2.722 0 50 FFAA in-vitro O=S(=O)(Nc1ncc(CN2C[C@H]3CCC[C@@H](C3)C2)cn1)c1ccccc1 247353681 WUAZKRPDGVCVPE-HOTGVXAUSA-N 372.494 2.899 0 50 FFAA CCc1nc(CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cs1 134856049 UGLLJHKKAFOZKA-LLVKDONJSA-N 350.875 2.692 0 50 FFAA O=C(CN1CCC(Cn2ccnn2)CC1)Nc1cccc(Cl)c1Cl 156118769 UJFMRTVUFDHRFG-UHFFFAOYSA-N 368.268 2.936 0 50 FFAA Cc1cc2ncc(C(=O)N3C[C@H](C)OC[C@@H]3c3ccccc3)c(C)n2n1 266369956 UOPFYJONROBRPI-KBXCAEBGSA-N 350.422 2.948 0 50 FFAA O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc[nH]c2nccc1-2 2325771296 YFSRFFZBUJKUFZ-UHFFFAOYSA-N 350.422 2.724 0 50 FFAA Cc1cc(F)ccc1C(=O)N[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 2325842713 GLYRNSCLDCFEFH-CQSZACIVSA-N 358.417 2.625 0 50 FFAA O=C(NCc1ccccc1-n1cccn1)c1ccccc1Cc1nc[nH]n1 2325870545 CQAUREUGCVIPLA-UHFFFAOYSA-N 358.405 2.511 0 50 FFAA COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(OC)cc1Cl 100485093 JZSBZZLZXMBWTG-YMLDPWDYSA-N 351.786 2.819 0 50 FFAA CN1CC[C@H](C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)CC1=O 151627292 IONNSTSOOYYBMD-ZWKOTPCHSA-N 356.466 2.899 0 50 FFAA CCCN1CCC[C@@]2(CCCN2Cc2cc3c(cc2OC)OCO3)C1=O 2356150037 JAWINGSEKIOAJZ-HXUWFJFHSA-N 360.454 2.791 0 50 FFAA OC1CN(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)C1 2356152646 TYTZIEIDMQQIAF-UHFFFAOYSA-N 360.461 2.942 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@]12CCCN(Cc1ccccc1)C2=O 2356152730 YHLSPBJUFLATBC-NRFANRHFSA-N 366.465 2.700 0 50 FFAA Cc1ccc(F)c(C(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1F 2356156412 AHONBPQHLFFBSE-AUUYWEPGSA-N 369.408 2.987 0 50 FFAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 6727043 BEYAEIJMMUGRIU-HWMSQKFYSA-N 374.456 2.607 0 50 FFAA COC[C@@H](C)NC(=O)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 55054303 IAUIMYFCIQVOAV-CQSZACIVSA-N 374.460 2.579 0 50 FFAA CN(Cc1ccccc1)C(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327423 YVWNKNBQGJXQBG-UHFFFAOYSA-N 353.447 2.907 0 50 FFAA CCSc1nc2ncc(-c3ccnc(N4CCCCC4)n3)c(C)n2n1 54201959 LVQIWIIAQKGNGG-UHFFFAOYSA-N 355.471 2.992 0 50 FFAA CCN1CCN(c2nc3c(c(Nc4ccccc4)n2)C(=O)CCC3)CC1 9936833 AVVNVIJWVFZIGI-UHFFFAOYSA-N 351.454 2.881 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)N(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 135086551 HUFIKSXQLKLYQK-UHFFFAOYSA-N 374.506 2.830 0 50 FFAA CCn1cc(CN(C(=O)c2cn3c4c(cccc4c2=O)CC3)C(C)C)cn1 55041947 YVQWGPBKJXZWTF-UHFFFAOYSA-N 364.449 2.825 0 50 FFAA C[C@H](Sc1ccccn1)C(=O)N1CCCN(Cc2cccnc2)CC1 67587855 DDBIFAXZVMYPAB-INIZCTEOSA-N 356.495 2.692 0 50 FFAA CCOCCc1nnc(NC(=O)N2CCCC[C@@H]2c2nc(C)no2)s1 23582173 ZMWHPWCECUQRFB-LLVKDONJSA-N 366.447 2.568 0 50 FFAA Cn1cc(CCC(=O)N2CCC(CO)(CCc3ccccc3)CC2)cn1 20406932 JCZTYOJMVYZIQE-UHFFFAOYSA-N 355.482 2.587 0 50 FFAA CC(C)(Nc1ccccc1)C(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 1506407499 OWXGGRLERSCFOH-SFHVURJKSA-N 366.465 2.580 0 50 FFAA CCOC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1/C=C/N(C)C 66324772 BAPNINMSGHVYCG-MDZDMXLPSA-N 355.373 2.639 0 50 FFAA Cc1noc(C)c1CC(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328637568 WAODKEVOLHYHOK-LBPRGKRZSA-N 370.375 2.770 0 50 FFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c(c2)OCO3)N1 34913565 LIPVUDSNGRJSQE-CRAIPNDOSA-N 350.374 2.673 0 50 FFAA in-vitro Cn1cc(Br)c(C(=O)Nc2ccc(Cn3cccn3)cc2)n1 2749511 UVTHCPRCJOUPQH-UHFFFAOYSA-N 360.215 2.680 0 50 FFAA CCn1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)nc1C 329056921 MLSJUVULIZSIAE-SJLPKXTDSA-N 374.510 2.516 0 50 FFAA Cn1nc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)ccc1=O 329487210 RHIWXUBXXYCMOO-QGZVFWFLSA-N 369.465 2.769 0 50 FFAA O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CCN(c2ccc(F)cc2)CC1 6738460 SWLNFUWWSVGELI-IBGZPJMESA-N 371.387 2.807 0 50 FFAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 363635979 RVEZFIRAFLXSIX-XWIAVFTESA-N 368.437 2.909 0 50 FFAA COc1cccc(CN2CC3(CCN(CC[C@@H]4CCOC4)CC3)CC2=O)c1 77378823 HUHBJLIALYRHHH-GOSISDBHSA-N 372.509 2.936 0 50 FFAA O=C(O)c1cnc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cn1 439899211 VTFSLTHZYHTWIN-LLVKDONJSA-N 365.311 2.823 0 50 FFAA COc1cc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)c2ccccc2n1 215070486 IDUBSYYQTRXBGI-UHFFFAOYSA-N 374.404 2.555 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCN1C(=O)COc2ccccc21 156885542 OAYOUTXBPNQJAR-MRXNPFEDSA-N 368.437 2.506 0 50 FFAA Cn1nnc2c1C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1)CC2 333697421 CVDQMHDRHMKIDX-MRVPVSSYSA-N 369.650 2.975 0 50 FFAA Cc1ccccc1N1CCCN(C(=O)CC[C@@H](C)N2CCOCC2)CC1 219713292 ROZQZNQDCNURKD-LJQANCHMSA-N 359.514 2.535 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]([C@H](C)CC)C(F)(F)F)CC2 373157600 COUXRNXAQAJMCQ-RQJABVFESA-N 366.424 2.925 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72133100 XFYHNEVUBYUUQI-LJQANCHMSA-N 364.493 2.535 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3[nH]nc(CC)c3C)C2)CCC1=O 77440045 SMQVVQUZZHBOGI-FQEVSTJZSA-N 360.502 2.925 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(C(=O)c1csc3c1CCCC3)C2 72479096 QRCMGGPGZAOLLY-UHFFFAOYSA-N 373.478 2.887 0 50 FFAA Cc1nonc1[C@@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 77454355 XYFNWCHCHLHGEU-AWEZNQCLSA-N 353.382 2.724 0 50 FFAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 453017004 YEQPHXIPOSDYAL-RYMFRWLXSA-N 355.887 2.893 0 50 FFAA Cn1ncc2c(NCCC(=O)NC3CCCCC3)nc(C(C)(C)C)nc21 72154927 IEBJOIFPYPDDOR-UHFFFAOYSA-N 358.490 2.912 0 50 FFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(F)cc2nc(S)[nH]c12 130812354 KZCJKAJERYCTGZ-MGPLVRAMSA-N 367.471 2.775 0 50 FFAA CC(=O)c1cc(CN2CCC(c3nnc4n3CCCCC4)CC2)n(C)c1 215603847 AOGXHCKUWSIYFT-UHFFFAOYSA-N 355.486 2.925 0 50 FFAA CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)C(=O)[C@H]12 239274656 AMYQMBUJAAWIDB-BXGYZXNGSA-N 364.445 2.550 0 50 FFAA CCOc1ccc(-c2ccnc(NC[C@@H]3CCN(C)C3)n2)cc1C(=O)O 77506113 APLXGCPUAPQKAK-ZDUSSCGKSA-N 356.426 2.604 0 50 FFAA COCc1ncc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 285723271 FWMYGUMHZIMHOH-LBPRGKRZSA-N 351.859 2.952 0 50 FFAA CC(C)(C)NC(=O)CN1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72427856 ZRBUMAKRHZXAPX-QFIPXVFZSA-N 371.525 2.806 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)N[C@H](c1nccn1C)C1CCOCC1)CC2 286601291 ASYHDTBDPKFGRN-MJGOQNOKSA-N 369.465 2.743 0 50 FFAA COCc1nc(C)c(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)s1 220345785 IRPSQNJYBKCJBJ-INIZCTEOSA-N 359.495 2.879 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(C)nc3cc(F)ccc23)on1 82114759 KTYWPTSEOMHNTO-YJYMSZOUSA-N 369.396 2.966 0 50 FFAA CN(C)C(=O)c1cccc(C(=O)NC[C@]2(C)OCCc3sccc32)c1 290516145 ZHKWFEUCJDABIV-IBGZPJMESA-N 358.463 2.668 0 50 FFAA Cc1ccc(N2CCN(C(=O)[C@@H](C)n3ccnc3C(C)C)CC2=O)cc1 82087832 PEMYGTSTEVQLPO-MRXNPFEDSA-N 354.454 2.751 0 50 FFAA CCc1oc(C(=O)N[C@H](C(=O)O)c2ccccc2)cc1CN1CCCC1 426712225 UVIWMCRIJMBIPU-SFHVURJKSA-N 356.422 2.994 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)Cn2sc3ccccc3c2=O)n1 95528071 BIFNGBGPUZIHEN-ZDUSSCGKSA-N 372.450 2.933 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21 91644993 XDRNREJTZBXQPN-AWEZNQCLSA-N 357.385 2.777 0 50 FFAA CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)s1 239235377 VWCOTKSDEHMCLP-DUBDDPSESA-N 363.435 2.949 0 50 FFAA c1cc(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c2nonc2c1 95376221 WCZHXFMIXKGQBU-XJKSGUPXSA-N 355.467 2.776 0 50 FFAA C[C@H](O)c1cccc(-c2ccc(C(=O)NC3CCN(CCO)CC3)cc2)c1 426635651 XHCOZFPVHPKIDI-INIZCTEOSA-N 368.477 2.593 0 50 FFAA Cc1cnn(CC(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)c1 95381089 FWUWFSVCTKGWAR-FQEVSTJZSA-N 366.509 2.920 0 50 FFAA Cc1nnsc1C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1 92066667 NUZRSQUFXSRLAP-UHFFFAOYSA-N 368.466 2.506 0 50 FFAA Cc1cc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n(C)n1 91908459 XHHQXBNXORTRPT-HXUWFJFHSA-N 355.438 2.829 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)NCCSCc2cccc(Cl)c2)C1 95376307 OYIFIRRDPQXRRQ-OAHLLOKOSA-N 354.903 2.948 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1n[nH]c(=O)[nH]1 95500424 KEHSGVMDTGBKPN-OAHLLOKOSA-N 356.813 2.590 0 50 FFAA Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc3nc(O)ccc3c2)o1 268272956 PEPPPUUNCMUWFL-MRXNPFEDSA-N 374.418 2.604 0 50 FFAA CN1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 95372599 MNAPATNOJRMKAS-QGZVFWFLSA-N 364.921 2.644 0 50 FFAA Cc1ccc(Cl)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 334162379 SCFJSBLYWCPBGF-HNNXBMFYSA-N 357.797 2.728 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCN2CCCC2=O)C1 91486691 JMUJNACRGOXZHU-OAQYLSRUSA-N 372.465 2.599 0 50 FFAA Cn1nccc1CCC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91848815 NGHCRYIWDRHWIR-OAQYLSRUSA-N 372.513 2.527 0 50 FFAA CCc1ncc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cn1 243932335 BVFMCUKDEQNTGL-UHFFFAOYSA-N 364.493 2.836 0 50 FFAA Cn1ccc(NC(=O)CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)n1 244646864 GQMHKVQKOPDJJD-AWEZNQCLSA-N 360.845 2.607 0 50 FFAA CN(C)Cc1nnc([C@H]2C[C@@H](Nc3cc(C(F)(F)F)ccn3)C2)n1C 244659575 HFCOOZVQEMHKFI-KLPPZKSPSA-N 354.380 2.649 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2nc3ccccn3n2)C1 184401622 FSJDETUZQCISQT-OAHLLOKOSA-N 368.416 2.967 0 50 FFAA Cc1nnc(SCC(=O)N[C@H](C)c2nncn2C2CCCC2)s1 299788857 TZGKMAGWHLDUMA-SECBINFHSA-N 352.489 2.523 0 50 FFAA Cc1nnnn1CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71404254 JJDQHANBLBBDFB-OAHLLOKOSA-N 356.257 2.752 0 50 FFAA Cc1ccc2[nH]c(CCCNC(=O)C3(Cn4ccnc4)CC3)nc2c1C 299777521 NOFNOBZNCUZBKK-UHFFFAOYSA-N 351.454 2.905 0 50 FFAA Cc1cc(C)nc(CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)n1 299760071 VBZYXHLJPGXOCC-UHFFFAOYSA-N 367.453 2.960 0 50 FFAA CN1C(=O)CC[C@@H](C(=O)N2CCc3cc(O)ccc3C2)[C@@H]1c1ccccc1 1875274511 FKTZJOKUKUAOFG-CTNGQTDRSA-N 364.445 2.887 0 50 FFAA O=C(OCc1cc(O)nc(O)n1)c1cc(Cc2ccccc2)ccc1O 1875264375 FLFSNGXLTZHOGM-UHFFFAOYSA-N 352.346 2.541 0 50 FFAA O=C(NCCc1c[nH]c2cnc(Cl)cc12)c1ccc(=NCC2CC2)[nH]c1 1875316555 ZCGCTXKKBDBUJA-UHFFFAOYSA-N 369.856 2.828 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2c(ncn2C2CCC2)C1 1875314762 QNLXDTHWJDLQBB-OLZOCXBDSA-N 369.469 2.562 0 50 FFAA CC(=O)N1CC[C@@]2(CCCC[C@@H]2NC(=O)c2cncc3c2CCCC3)C1 1875339049 UUSKHUWKZHFBPT-FPOVZHCZSA-N 355.482 2.871 0 50 FFAA C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@H](Cc1ccsc1)NC=O 1875321448 IRNPMMBBCOHKQO-MNEFBYGVSA-N 356.491 2.885 0 50 FFAA Cn1nccc1[C@@]12CC[C@@H](C1)[C@@H]2C(=O)NCc1cccc(-c2ccccn2)n1 1875396132 WLAHCXBFTSYGJH-ZAOYMGCJSA-N 373.460 2.861 0 50 FFAA COCCCN(Cc1cccc(OC)c1)S(=O)(=O)N1CCC(C)CC1 952869098 IFOWMAJXIQULTI-UHFFFAOYSA-N 370.515 2.510 0 50 FFAA Cc1c(NC(=O)[C@H](c2cccnc2)N2CCCC2)cccc1C(=O)N(C)C 952872193 KCAXHVDRWUURML-IBGZPJMESA-N 366.465 2.867 0 50 FFAA c1cncc(-c2nc3c(c(N4CCC[C@H](n5ccnn5)CC4)n2)CCC3)c1 895106436 WRFUNKNIWQXXFJ-INIZCTEOSA-N 361.453 2.850 0 50 FFAA COc1ccc(CCC(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565529426 CTQMDIPVSYHUOM-MJGOQNOKSA-N 370.493 2.877 0 50 FFAA O[C@H]1CN(Cc2cccc3nsnc23)CC[C@@H]1c1ccc2c(c1)OCO2 1565506447 ZTRAFLFSKQROSQ-ZBFHGGJFSA-N 369.446 2.770 0 50 FFAA O=C(CCN1CCCCCC1=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074591907 GVXDDVCJSLDVPD-GMQQQROESA-N 370.493 2.542 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cn(-c3ccc(F)cc3)nn1)C[C@H](C)O2 172713949 YEDWOIGNJQMMNZ-LBPRGKRZSA-N 368.368 2.843 0 50 FFAA CCOc1ccc(Nc2cc(C)ncn2)cc1S(=O)(=O)N1CCCC1 301253666 QKCRVAGDKSYYCK-UHFFFAOYSA-N 362.455 2.712 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)Cc1ncc(Br)cn1 926976547 RWPHPHBDYWNFQD-VIFPVBQESA-N 366.263 2.731 0 50 FFAA COc1ccc(-n2cnnc2)cc1NC(=O)c1cc2c(cc1C)OCCO2 1506403180 SEENRUXTQADIRY-UHFFFAOYSA-N 366.377 2.608 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC[C@@H]1CCCN1C 1506411617 RQMJXOROEJVXBB-ZDUSSCGKSA-N 360.907 2.810 0 50 FFAA CN(C(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1)C1CCCCCC1 1529162085 USPAFTKIGIHERE-UXHICEINSA-N 371.481 2.694 0 50 FFAA O=C(CCc1nc2ccccc2s1)N[C@H]1COC[C@H]1Cc1ccncc1 1616049324 RUGMMXJAFGFCDP-WBVHZDCISA-N 367.474 2.998 0 50 FFAA Cc1cccn2c(=O)cc(CN3CCC(Cc4ccc(O)nc4)CC3)nc12 1772809532 DLGSKQUNAVGQQD-UHFFFAOYSA-N 364.449 2.558 0 50 FFAA O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 11701056 IEHSTYIXPBBORP-OAQYLSRUSA-N 370.449 2.670 0 50 FFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccc(O)nn1 11936954 GWNDMIMKNIQESD-UHFFFAOYSA-N 358.304 2.578 0 50 FFAA CO[C@H]1CCCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C1 12005443 GREGFOUDMYQOQO-NSHDSACASA-N 352.337 2.783 0 50 FFAA CC[C@H](COC)NC(=O)c1cc(COc2cccc3cnccc23)on1 12074048 VTXSICYRTJHOEO-CQSZACIVSA-N 355.394 2.957 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(C(=O)C3=CCCC3)C2)c1 12474078 OAZXHEXJTCBTKA-HNNXBMFYSA-N 372.465 2.783 0 50 FFAA Cc1ccccc1C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12 169776305 TVXUSSGVGRGBHS-UHFFFAOYSA-N 374.404 2.895 0 50 FFAA COc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 972366 WQOLXDNCXLUOMO-UHFFFAOYSA-N 374.890 2.564 0 50 FFAA CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 4976249 XQXFRGSKYVRRFX-UHFFFAOYSA-N 355.394 2.729 0 50 FFAA CCOc1cc(C(=O)NC[C@H](C)CN(C)C)cc(OCC)c1OCC 2863214 JFTSDXAQGHVGIJ-AWEZNQCLSA-N 352.475 2.810 0 50 FFAA O=C(CCc1ccc(-c2cccs2)o1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857671163 ABOXYOVKKHTHQH-QCBUCWTNSA-N 373.474 2.939 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccc2c(c1)CCO2 1857689055 CRYBGLDWEDNMHQ-SVFBPWRDSA-N 364.445 2.566 0 50 FFAA O=C1C[C@H]2N(Cc3ccc(OCc4ccccc4)cc3)CC[C@]23OCCN13 1857728521 FLPHZBRPAVGNJL-IRLDBZIGSA-N 364.445 2.799 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)CCOc3ccccc3)C[C@H]12 1857728704 MVURBHYQUAAGEY-DUPRYPCISA-N 357.450 2.915 0 50 FFAA CCC(C)(C)C(=O)NC[C@H]1[C@H]2CN(Cc3cccc(O)c3)C[C@]23CC[C@H]1O3 1857738926 FEOZLNCAUNZMOJ-JZJXAQOMSA-N 372.509 2.924 0 50 FFAA CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12 14758520 CTGVBHDTGZUEJZ-UHFFFAOYSA-N 372.373 2.986 0 50 FFAA biogenic O=C(NCc1cnn2ccccc12)[C@H](c1ccccc1)N1CCCCC1=O 367729122 OITHSGUFJBKQBS-FQEVSTJZSA-N 362.433 2.704 0 50 FFAA CCn1ccnc1CN(C(=O)c1ccc(F)cc1)[C@@H]1CC12CCNCC2 370165553 WNLOMQWMTOAXEN-QGZVFWFLSA-N 356.445 2.827 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(Oc4ccccc4)o3)C[C@@H]12 1704338259 PRWQOLLOLBFWRW-WIYYLYMNSA-N 370.449 2.991 0 50 FFAA Cn1cc(C2CCN(S(=O)(=O)c3ccc(F)c4occc34)CC2)cn1 2325775853 CWQNKKWYVSMXMV-UHFFFAOYSA-N 363.414 2.874 0 50 FFAA Cc1c(C(=O)N[C@H]2C[C@H](CS(C)(=O)=O)C2)sc2ccc(F)cc12 2325791262 HXPBPRFITNKENP-UMSPYCQHSA-N 355.456 2.902 0 50 FFAA O=C(NCc1oc2ccc(F)cc2c1-c1ccccc1)N[C@H]1CCNC1=O 2325829921 WHZOMRUGNMKTCO-HNNXBMFYSA-N 367.380 2.927 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(Cc3ccnn3C)CC1)OCC2 2356142635 AKHYQCUOQAUYRG-UHFFFAOYSA-N 357.454 2.501 0 50 FFAA CC(C)(C)c1csc(NC(=O)[C@@H](CC(=O)O)NCc2ccco2)n1 2857246 DEQDDVZZYFDHPD-LLVKDONJSA-N 351.428 2.605 0 50 FFAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 4783227 WXAFAADAKBTLSM-RDJZCZTQSA-N 366.483 2.757 0 50 FFAA Cn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccco1 4814807 RVBGXUAWHDHTEK-UHFFFAOYSA-N 362.440 2.535 0 50 FFAA O[C@H](CN1CCC(c2nnc3ccccn23)CC1)c1c(F)cccc1F 112337733 HZHILQARDANYOO-MRXNPFEDSA-N 358.392 2.921 0 50 FFAA Cn1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)n1 114575887 BOQCDPZEHJDEAE-AWEZNQCLSA-N 367.375 2.835 0 50 FFAA COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 55095279 ZBHPGZGRJPYYHW-UHFFFAOYSA-N 360.845 2.504 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(N2CCCC2)nc1 67513696 AGHLQKHWXHIMDB-INIZCTEOSA-N 353.422 2.642 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@H](CN)C3)c(C)o2)cc2c1OCO2 67561305 CIKXHDFICBMGDI-CYBMUJFWSA-N 359.426 2.558 0 50 FFAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(=O)n(C)c1 65410659 SHYOSQWMAJRKCJ-UHFFFAOYSA-N 356.422 2.945 0 50 FFAA CCCn1c(=N)n(C[C@H](O)COc2ccccc2OC)c2ccccc21 20326874 ROYMNRWZMDYSJP-HNNXBMFYSA-N 355.438 2.781 0 50 FFAA COc1cc2c(cc1CN1CCC(n3cc([C@H](C)O)nn3)CC1)CCC2 23159580 CBSVVKPAPPCKOX-AWEZNQCLSA-N 356.470 2.666 0 50 FFAA CN(CCO)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 67842618 WAWAEXOENDOWAI-UHFFFAOYSA-N 367.493 2.995 0 50 FFAA CCN1CN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1=O 252496475 PJFVXWRJHGFDJI-HXUWFJFHSA-N 371.868 2.667 0 50 FFAA CCn1ncnc1CN1CCC[C@]2(CCN(C(=O)OCC(C)(C)C)C2)C1 67514393 CZDCWFGBRMKQSR-IBGZPJMESA-N 363.506 2.769 0 50 FFAA Cc1cc(C)n(C[C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2F)n1 1506417509 LFJHSCHYFULVDD-NSHDSACASA-N 359.854 2.801 0 50 FFAA Cc1ccc(CCN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 122400108 NVGGVISMWNIPSO-NRFANRHFSA-N 366.417 2.776 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@H]1CCCN(Cc2ccncc2Cl)CC1 328628202 GZDUQHGILPMYLV-SFHVURJKSA-N 373.888 2.928 0 50 FFAA Cc1sc(NC(=O)c2nn(C)c(C)c2Br)c(C(N)=O)c1C 2781166 ZXPBSLWMHWZSDU-UHFFFAOYSA-N 371.260 2.521 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@@H]2CCC3(CCCCC3)O2)sc1C(=O)O 330072542 ZDLDKEKYGWDBFW-LBPRGKRZSA-N 373.496 2.915 0 50 FFAA CCCNC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccc(OC)c1)C2 77377919 JAMITNOCKRVVMI-UHFFFAOYSA-N 359.470 2.629 0 50 FFAA O=C(N1CCCC1)N1CCC[C@H](N[C@H](c2nc[nH]n2)C2CCCCC2)C1 330268899 RLTWRELBQQFPPJ-IRXDYDNUSA-N 360.506 2.696 0 50 FFAA CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2ccnc2)nc1 363414905 AZALJXJYHMALDR-QGZVFWFLSA-N 350.426 2.955 0 50 FFAA CSCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72131957 NFKKGVYHDGDDAA-KBAYOESNSA-N 352.450 2.716 0 50 FFAA CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C/C=C/c1ccccc1)C1CC1 72162977 PJVVIEGUWGLDNL-ZGBFETHSSA-N 369.509 2.537 0 50 FFAA NC(=O)Cc1occc1C(=O)N1CCC2(CC1)C1CC3CC(C1)CC2C3 376087924 GPVYUVFBAQMJOB-UHFFFAOYSA-N 356.466 2.986 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)COC(C)C)[C@@H]3C4CCN(CC4)[C@H]23)c1 72152305 HMXRNNLJGNUMRC-CEWLAPEOSA-N 358.482 2.509 0 50 FFAA CO[C@H]1[C@H](NC(=O)c2ccc(C)nc2)c2ccccc2C12CCNCC2 72422118 CPNSNHNWNAHTON-MOPGFXCFSA-N 351.450 2.511 0 50 FFAA COc1cc2c(cc1CN1CCC([C@H](O)c3nccn3C)CC1)CCC2 215949373 IZCVJLDRHCEJHU-FQEVSTJZSA-N 355.482 2.863 0 50 FFAA Cc1cc(C[C@H](C)NC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n[nH]1 289164507 JTTZZZFDXTVGNT-NDSDBLNTSA-N 368.481 2.863 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(-c2cccc(F)c2)no1 71747708 XPIHXLBJYAAAGN-UHFFFAOYSA-N 355.369 2.726 0 50 FFAA Cc1cccc(OC2CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C2)c1 82109188 OLHFWBTWBSEOCI-UHFFFAOYSA-N 365.477 2.650 0 50 FFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2conc2-c2ccccc2)C1 82156271 AHWHFAROJUPYOZ-HNNXBMFYSA-N 364.405 2.810 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@@H]3CCCN(c4ccccn4)C3)C2)c1 82096736 NOZPYVJOHCMGMB-QGZVFWFLSA-N 351.450 2.896 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccnc2ccccc12 220250397 DEZGILXBUKAPKO-WOJBJXKFSA-N 363.417 2.734 0 50 FFAA C[C@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)N1CCOCC1 426615234 ZGTDHPXUWONDFH-OAHLLOKOSA-N 372.444 2.513 0 50 FFAA CN(Cc1ccccc1-n1cccn1)C(=O)c1cnc(-c2ccncc2)nc1 95353679 QGLDKCSACDEHLV-UHFFFAOYSA-N 370.416 2.997 0 50 FFAA CCNc1ncc(CN2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)cn1 91616540 GPUSZBAQJVXOGZ-FUHWJXTLSA-N 370.501 2.610 0 50 FFAA CN(C)C1(CNC(=O)N2CC=C(c3ccccc3F)CC2)CCOCC1 163148575 RUCOQJFADWHPOE-UHFFFAOYSA-N 361.461 2.735 0 50 FFAA Cc1cc(N2CCC(N3CCC[C@@H](O)CC3)CC2)nc(N2CCCCC2)n1 95529527 HLBUBSDILSOURM-LJQANCHMSA-N 373.545 2.591 0 50 FFAA Cc1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)c(F)c1 91586753 AUKDSCUOHHKWJZ-UHFFFAOYSA-N 361.505 2.900 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)Cn2cc(-c3cncnc3)nn2)n1 95357104 CTSQWCCECDXUOG-SNVBAGLBSA-N 351.336 2.595 0 50 FFAA Cc1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239175826 QRJMXOZJNLNEDV-BVBVUKCESA-N 364.445 2.685 0 50 FFAA COc1nccnc1N1CCC(c2nccn2Cc2cscn2)CC1 91616433 RWKFIPQPCLDSTB-UHFFFAOYSA-N 356.455 2.571 0 50 FFAA CC(C)c1ccc(NC(=O)N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)cc1 95363608 ZAQQHOVRFMVNIM-OAQYLSRUSA-N 372.513 2.970 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CC1CCCC1)C2 91604606 KKHOKIJCBHITLD-DLBZAZTESA-N 359.470 2.821 0 50 FFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOC(C)C 182361153 PUCUKZCBCSRGGI-LJQANCHMSA-N 359.470 2.537 0 50 FFAA COc1ccc2[nH]c(CNC(=O)c3cc(C(C)C)n4ncnc4n3)cc2c1 91586340 NLPXNIBTHADZFM-UHFFFAOYSA-N 364.409 2.668 0 50 FFAA CCOc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)ccc1OCc1cccnc1 269181948 LNRWJMMDKNYWSN-MRXNPFEDSA-N 370.405 2.606 0 50 FFAA COCCn1c(C)cc2cc(NC(=O)NCc3cc(COC)[nH]n3)ccc21 97716704 PXRNQCHZDKQCCS-UHFFFAOYSA-N 371.441 2.787 0 50 FFAA O=C(CN1CCC(n2ccc(C(F)(F)F)n2)CC1)Nc1nccs1 183144555 XGVAHYYWPOMAGL-UHFFFAOYSA-N 359.377 2.634 0 50 FFAA O=C(Nc1ccccc1-n1cccn1)N1CCOCC2(CCOCC2)C1 183416597 NUDCJKMTGPKPBP-UHFFFAOYSA-N 356.426 2.533 0 50 FFAA O=C(CC1=CSC2=NCCN12)NCC1(c2ccccc2)CCOCC1 244712732 KVTDZNPRALWCKS-UHFFFAOYSA-N 357.479 2.501 0 50 FFAA COc1ccc(NC(=O)c2cccnc2N2CCOCC2)c2cccnc12 299167682 SIDMDWDWKAHKPH-UHFFFAOYSA-N 364.405 2.727 0 50 FFAA CN(C)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 185370383 NIDCALUQFVIFBI-INIZCTEOSA-N 373.375 2.795 0 50 FFAA Cc1nonc1CC(=O)Nc1ccnn1Cc1ccccc1C(F)(F)F 1940197684 IVAMQSGFHQVMEH-UHFFFAOYSA-N 365.315 2.823 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(S(=O)(=O)c3cc(C)sc3C)[C@H]2C1 299786432 KODPKHLEODFGCT-VNQPRFMTSA-N 359.513 2.712 0 50 FFAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccnc1Oc1ccc(F)cc1)C2 299755031 AIQUUCGOEAPPRZ-OCCSQVGLSA-N 370.384 2.755 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)C1=C(C)N2CCN=C2S1)CC3 299758950 MJAKZEISCVGDPF-UHFFFAOYSA-N 368.462 2.711 0 50 FFAA O=C(NCc1noc(-c2ccc3c(c2)OCO3)n1)N1CCCCCCC1 584895953 NPFHBGDETGLLPV-UHFFFAOYSA-N 358.398 2.941 0 50 FFAA O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1cc(O)nc(C2CC2)n1 869895545 IERUYAQSGKUGPP-ZDUSSCGKSA-N 353.300 2.908 0 50 FFAA COC(=O)[C@H]1C[C@@H](C)CN(C(=O)NCCc2ccc3ncccc3c2)C1 1875301016 AHYMOAIGEYBLQS-PBHICJAKSA-N 355.438 2.618 0 50 FFAA Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n2ncc(C)c2n1 1875405960 SPEAGMUBVNDXEP-ZQOQDGPXSA-N 355.486 2.579 0 50 FFAA O=C(c1cccc(-n2ccnc2)n1)N1CCN[C@@H](c2cccc(Cl)c2)C1 952845085 XNOCUXJOPWHZIU-QGZVFWFLSA-N 367.840 2.707 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 1875376057 XKQODOMZRKNCMX-YXMGTMDOSA-N 353.869 2.850 0 50 FFAA Cc1cc(NC(=O)[C@H]2CC(=O)OC23CCCC3)ccc1N1CCCC1=O 952874133 WZZNVTYNWZUYKN-OAHLLOKOSA-N 356.422 2.936 0 50 FFAA CCOc1ccc(NC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)c(C)c1 277031353 XWBNPWRAYOSVMS-HNNXBMFYSA-N 370.453 2.541 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2c(C)nn(C)c2C)C3)cc1 96147770 ZIINSGTWMOGVGT-UHFFFAOYSA-N 365.437 2.634 0 50 FFAA COc1cccc(C2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)c1 194785489 JUEVDTGVLFTGGL-UHFFFAOYSA-N 363.421 2.691 0 50 FFAA CCN1CCC(N(CCc2ccccn2)C(=O)c2ccncc2F)CC1 1506401916 OPRLXQFIHCJCKY-UHFFFAOYSA-N 356.445 2.785 0 50 FFAA O=C(c1ccncc1Cl)N1CCCN(Cc2cc(C3CC3)on2)CC1 1529109549 DUJMUFFXUQSXCV-UHFFFAOYSA-N 360.845 2.949 0 50 FFAA NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 1147626 WKQGRCCKURCYSN-UHFFFAOYSA-N 373.261 2.670 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)c1nnc(CSc2ccncc2)o1 1772705885 SUPWOTNCDDHEGV-UHFFFAOYSA-N 356.455 2.995 0 50 FFAA O=C(c1cc(Cl)ccc1F)N1CCCN(CCCn2cccn2)CC1 1772709126 HZEDANKVPLPGON-UHFFFAOYSA-N 364.852 2.914 0 50 FFAA O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775979440 IFPNYTXUJQBQDX-GOSISDBHSA-N 355.829 2.831 0 50 FFAA CCn1ccnc1[C@@H]1C[C@H]2CN(c3cccc(OC)c3)C(=O)[C@]23CCCN13 11819130 PLIFLZLMSFCPBI-XERREHJYSA-N 366.465 2.854 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(Cc4nccn4C)C3)C2=O)c1 11817122 BJGRPNQHNOHCJX-OAQYLSRUSA-N 352.482 2.743 0 50 FFAA CN(CC1CCOCC1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 12076087 JOYAPNCJVDNLME-SFHVURJKSA-N 350.503 2.690 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 12193874 GATDLRRQEFWPLR-SFHVURJKSA-N 365.481 2.969 0 50 FFAA CCCS(=O)(=O)N1CCC[C@@](Cc2ccccc2C)(C(=O)OCC)C1 12208365 QPAASXSOGWNCOX-IBGZPJMESA-N 367.511 2.923 0 50 FFAA Cc1ccc(C(=O)NCCc2nnc(SCc3ccccn3)n2C)cc1 12242767 SBTBQERDIVMNDM-UHFFFAOYSA-N 367.478 2.783 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)nc(C)n1 12314433 GUPXJNAHVGETPW-INIZCTEOSA-N 368.437 2.581 0 50 FFAA c1ccc(CC[C@H]2CCCCN2Cc2nc(-c3cnccn3)no2)nc1 12449400 OWDZNTSJAHEXBL-MRXNPFEDSA-N 350.426 2.909 0 50 FFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 14400847 WRYVKWRPLWRQQY-UHFFFAOYSA-N 369.440 2.625 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]21 14994413 YNHUUBCVVJNECN-SUMDDJOVSA-N 356.466 2.703 0 50 FFAA CCOC(=O)N1CCC(N2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1 15069437 KICRCDGDRWPYPH-SFHVURJKSA-N 350.434 2.690 0 50 FFAA Cc1cccn2c(CN(C)Cc3ccn[nH]3)c(C(=O)N3CCCCC3)nc12 19148773 SGQUNVBAFPUFID-UHFFFAOYSA-N 366.469 2.624 0 50 FFAA Cc1ncc2c(c1-c1noc(CCn3c(C)nc4ccccc43)n1)CCNC2 19883086 OSTMXKRJOKOGME-UHFFFAOYSA-N 374.448 2.987 0 50 FFAA Cc1ccc(-c2csc3nnc(SCC(=O)N4CCOCC4)n23)cc1 937509 CUFYKCFKLSUOHW-UHFFFAOYSA-N 374.491 2.717 0 50 FFAA COc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Cl 944431 NPVHVXASPIKGSQ-RKDXNWHRSA-N 354.255 2.800 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 6700825 IUEHFRBSHWMOBQ-AWEZNQCLSA-N 358.438 2.983 0 50 FFAA CCOc1ccccc1-c1nnc(SCC(N)=O)n1-c1ccccc1 6702709 ZOWRNXLREULQRQ-UHFFFAOYSA-N 354.435 2.910 0 50 FFAA CCOc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(OCC)cc1C 6703315 HBLBLZKAOHDCBY-KBPBESRZSA-N 357.472 2.590 0 50 FFAA COc1ccc(-n2nnc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)cc1 4938549 BWCLPZZYDHDSQI-UHFFFAOYSA-N 365.393 2.795 0 50 FFAA O=C(c1ccc(COc2ccccc2)cc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669087 OWFZBAYMPDSAQQ-SIKLNZKXSA-N 367.445 2.737 0 50 FFAA O=C1OC[C@@]2(Cc3ccccc3)CN(Cc3cccc4ccnn34)CCN12 1857674622 QHGCXTRSROXKPW-OAQYLSRUSA-N 362.433 2.584 0 50 FFAA O=C(O)c1ccccc1CN1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857678974 OMZRWLRQRJSXFI-NRFANRHFSA-N 366.417 2.634 0 50 FFAA CCCN=c1ncc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c[nH]1 1857705298 BEXVFHDISFNMGL-FUHWJXTLSA-N 354.502 2.848 0 50 FFAA Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1875241072 OBJLXAPSIZBXRZ-DLBZAZTESA-N 361.467 2.567 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2cccc(C(=O)O)c2)cc1 237732747 KSKSPLCVSZRYCN-GOSISDBHSA-N 366.417 2.501 0 50 FFAA CCOP(=O)(OCC)[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 16698165 KREPFQCNXAYHAW-CYBMUJFWSA-N 359.315 2.678 0 50 FFAA in-vitro COCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1c1cccs1 152936468 FTMWDOARNHSZHD-CHWSQXEVSA-N 361.471 2.868 0 50 FFAA Cc1ccc(N2CCC(N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)CC2)cc1 1704297384 PGMWVONCPIFFPG-FGZHOGPDSA-N 357.542 2.742 0 50 FFAA CCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(F)cccc1Cl 4193019 FNHFBGUFAGDGIH-NSHDSACASA-N 355.793 2.936 0 50 FFAA O=C1CCCCCN1CC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 2100557668 YQLXKIFFASDZCR-RBUKOAKNSA-N 356.466 2.768 0 50 FFAA O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCc2nc[nH]c2C1 2325781479 UEPDXGJCUHSNAU-SECBINFHSA-N 364.236 2.786 0 50 FFAA CCCCC(=O)N(C)CCCN(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867389 UPXYKAWAAJPRPC-AYHJJNSGSA-N 351.535 2.746 0 50 FFAA CCOC(=O)C[C@H]1CSc2nc3sc4c(c3c(=O)n21)CCCC4 703645 PIMQEQLKTWIWMS-VIFPVBQESA-N 350.465 2.937 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)NCc1cccc2ncsc12 2356156993 ZNFIOFLKWXVZQU-UHFFFAOYSA-N 366.450 2.600 0 50 FFAA CCCCN(C/C=C/c1ccccc1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 55414794 NNOAZDKMHQTYDI-KQPPXVQYSA-N 357.454 2.611 0 50 FFAA COC[C@@H](C)N(Cc1cc(OC)cc(OC)c1)C(=O)CCCC(C)=O 55226940 YCIOAMVJZHRQKU-CQSZACIVSA-N 351.443 2.827 0 50 FFAA C[C@H]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]1CO 249140808 XVKPLSOUHPOWPI-LRDDRELGSA-N 350.260 2.838 0 50 FFAA COc1cccc(CN2CCC[C@@H](NCc3cccc4nonc34)C2)c1 20351361 DNCASYLTQHUKLM-QGZVFWFLSA-N 352.438 2.986 0 50 FFAA COc1ccsc1S(=O)(=O)N1CCC(Oc2ncccc2C)CC1 429328830 JHEGLJUTQLRWSO-UHFFFAOYSA-N 368.480 2.692 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2cnc3ncccn23)CC1 328625689 DKRCTQMSLPZQTI-SFHVURJKSA-N 350.470 2.611 0 50 FFAA CN1CCCC2(CC1)CCN(C(=O)CCn1nnc3ccccc31)CC2 67982361 XWRYFRANCAWQRC-UHFFFAOYSA-N 355.486 2.546 0 50 FFAA Cc1cccc2cc(C(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)oc12 149497593 MVKVDTIFWVGSKR-UHFFFAOYSA-N 372.446 2.922 0 50 FFAA NC(=O)COc1ccc(CN2CCCN(c3ccccc3)CC2)cc1Cl 215254093 XQXYKWZZOQMEDR-UHFFFAOYSA-N 373.884 2.916 0 50 FFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1 38528316 QWLCARLXYNJDKN-UHFFFAOYSA-N 366.469 2.739 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3[nH]nc(CC)c3C)CC2)OC1=O 72439606 KAKGJZHWZBLIAA-CYBMUJFWSA-N 362.474 2.896 0 50 FFAA Cc1ccc2nc(C)cc(C(=O)N[C@@H]3CCCN(C(=O)C4CC4)C3)c2c1 77321483 ZPZSCJBRXRMSNB-MRXNPFEDSA-N 351.450 2.982 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 237533196 IQPLODITMDJLMJ-ZFWWWQNUSA-N 367.478 2.948 0 50 FFAA Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](CCC(=O)O)C3)C2=O)cc1C 237629135 XUDIVKFQVCOTQN-AEFFLSMTSA-N 372.465 2.760 0 50 FFAA CN(CC(F)(F)F)C(=O)CN1CCC[C@@H]1c1nc2ccccc2n1C 370116254 FEPDJXOHJLZYFL-CQSZACIVSA-N 354.376 2.731 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCC(=O)N1CC1CC1 72143076 PPQVTBKQQREHPY-INIZCTEOSA-N 358.438 2.524 0 50 FFAA Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)C)c(C)c1 72437113 SRAWXCCPPZSHER-AEFFLSMTSA-N 366.527 2.788 0 50 FFAA C[C@H]1C[C@H](c2cccs2)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 370998795 KPFBLPWQXUCBOF-ZFWWWQNUSA-N 353.451 2.671 0 50 FFAA CC(C)[C@H](Oc1ccccc1)C(=O)N1CCc2c(ncnc2N(C)C)C1 71764083 XGKFWKHBWVGBET-SFHVURJKSA-N 354.454 2.531 0 50 FFAA Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)Cc3cc(C4CC4)[nH]n3)c12 72422679 FYUGGFGEOFTPFA-UHFFFAOYSA-N 374.452 2.971 0 50 FFAA O=C(NCC[C@@H]1CCNC1)c1csc(-c2cnn(-c3ccccc3)c2)n1 262578347 MGWUJIIAKMAVCD-AWEZNQCLSA-N 367.478 2.725 0 50 FFAA CCc1ccc2oc(=O)cc(CN3CCC[C@@H](N4CCCC4=O)C3)c2c1 71751367 UAQLEJMQESDSNG-QGZVFWFLSA-N 354.450 2.942 0 50 FFAA COc1ccc(CN2CCCC23CCN(c2ncccn2)CC3)cc1O 72424258 GJLOLXGSZGEEGS-UHFFFAOYSA-N 354.454 2.826 0 50 FFAA CCOc1ccc(CC(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)cc1 72426320 BHSURDMIXCQCHO-QGZVFWFLSA-N 360.498 2.587 0 50 FFAA O=c1c2c3c(sc2ncn1CCCN1Cc2ccccc2C1)CNCC3 77437628 SNNWWWCPUWZEMJ-UHFFFAOYSA-N 366.490 2.510 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 245225427 VBGIREBEACKRMR-YDHLFZDLSA-N 367.877 2.746 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)c1C 72173837 IPVGJFJTNDJGRB-OAHLLOKOSA-N 359.470 2.888 0 50 FFAA Cc1ncsc1CCC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 82098533 AAWUICYAEUCSLS-GOSISDBHSA-N 353.451 2.677 0 50 FFAA O=C(CCCn1cncn1)N1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 223910921 UISACIXYQPNIHH-MRXNPFEDSA-N 366.425 2.515 0 50 FFAA O=C(NCC[C@H]1CCNC1)c1cnn(-c2ccc(Cl)cc2Cl)c1 178959960 XLZDAPIIMKYGHY-LLVKDONJSA-N 353.253 2.909 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c(C)c1 220585973 YNWNBQPKRAXBCL-IAGOWNOFSA-N 362.451 2.564 0 50 FFAA Cc1cccc(=O)n1CCC(=O)NCC1(c2cccc(F)c2)CCOCC1 426487668 XMCASRBRLJZSLW-UHFFFAOYSA-N 372.440 2.551 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 82098953 GDWXDRHSOBKNAZ-MRXNPFEDSA-N 355.438 2.885 0 50 FFAA Cc1ncc2c(c1-c1noc(COCC(F)(F)C(F)F)n1)CCNC2 20537487 AMCZGGLTBSBMCD-UHFFFAOYSA-N 360.311 2.503 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1cc(Cl)cc(Cl)c1Cl 220040460 BDIVNPNCTRRZPX-VXGBXAGGSA-N 368.644 2.543 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)c1cccc(-c2ccc(C(N)=O)o2)c1)C1CC1 426545417 PNBKUHVXFNUEHU-KRWDZBQOSA-N 364.405 2.660 0 50 FFAA COc1cccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)c1OC 82099154 MOADNIXJIAXWNI-OAHLLOKOSA-N 368.433 2.890 0 50 FFAA CCc1nc2cc(NC(=O)N[C@H]3COC[C@@H]3N3CCCC3)ccc2n1CC 426624714 CYEWIPWOLVHGIR-WMZOPIPTSA-N 371.485 2.603 0 50 FFAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1ccc(F)cc1F)CC2 92045528 GGMBQWBWNCAXOY-SJORKVTESA-N 353.409 2.676 0 50 FFAA Cc1ncc(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)c(=O)[nH]1 91468627 ZATHAHRWSIYPBT-OAHLLOKOSA-N 355.369 2.762 0 50 FFAA CCC(=O)c1cccc(-c2ccc(C(=O)N(C)[C@H]3COC[C@@H]3O)cc2)c1 426612215 CJRGLBYBVACBEG-ICSRJNTNSA-N 353.418 2.778 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1c1ccc2c(c1)OCO2 91445229 QITKHRJEGNBRCL-LSDHHAIUSA-N 373.430 2.736 0 50 FFAA CC(C)c1ccc(NC(=O)N2CCN(C)[C@]3(CCC(=O)N(C)CC3)C2)cc1 95363607 ZAQQHOVRFMVNIM-NRFANRHFSA-N 372.513 2.970 0 50 FFAA CCS(=O)(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 91756192 GGHRUQYQHPNNIW-HNNXBMFYSA-N 351.447 2.964 0 50 FFAA COc1ccc2c(c1)C[C@@H](c1nc(CC(N)=O)nn1C1CCCCC1)CO2 96164033 COBZYZGJZBUTBW-CQSZACIVSA-N 370.453 2.538 0 50 FFAA Cn1cccc1C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95517364 KOIPKZOGJGGCBL-CQSZACIVSA-N 355.467 2.746 0 50 FFAA COc1ccc(F)cc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91594506 YUKDJRBAOQGFLO-HXUWFJFHSA-N 360.429 2.699 0 50 FFAA COCc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)no1 91746285 BONXQUYKWXJGCO-SFHVURJKSA-N 370.497 2.918 0 50 FFAA Cc1nccc(NCc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)n1 864096424 FKEXMJLPPWLMGZ-UHFFFAOYSA-N 373.461 2.630 0 50 FFAA O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252548769 QKMZSNAAOHICJL-MJCKAROISA-N 370.840 2.782 0 50 FFAA CC[C@H]1CN(C(=O)c2ccc(-c3ccc(-n4cnnc4)nc3)cc2)CCO1 534586303 SJCQDIKESFLTNP-SFHVURJKSA-N 363.421 2.580 0 50 FFAA O=C(NCC1CC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263617795 PRAZJYIBVIINRK-UHFFFAOYSA-N 350.418 2.748 0 50 FFAA CO[C@@]12CC[C@@H](NC(=O)C(C)C)C[C@@H]1N(Cc1cccc3nonc13)CC2 534584497 GHEUYAJGDPWDBH-OXFYSEKESA-N 372.469 2.507 0 50 FFAA COc1cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)o2)ncn1 1940196307 AGXMILGEVGSHQB-UHFFFAOYSA-N 364.405 2.889 0 50 FFAA O=C(O)CCN1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)CC1 299773148 BMKBOFRFCGUAPP-UHFFFAOYSA-N 356.397 2.725 0 50 FFAA COc1ccccc1CN(C)C(=O)c1cccc(-c2nc(OC)n(C)n2)c1 299801419 YMLZUVUMTFQBCZ-UHFFFAOYSA-N 366.421 2.772 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3Cc4ccccc4CN3C)n[nH]2)o1 825197761 BQFNQVIEGQYFEH-MRXNPFEDSA-N 350.422 2.765 0 50 FFAA Cc1cc(CC(C)C)nc(N2CC[C@@H](NCc3cccc(CO)c3)C2)n1 828827589 KFTLCSCFHACUIX-LJQANCHMSA-N 354.498 2.844 0 50 FFAA CC[C@@H](NC(=O)C1(C(=O)O)CCC1)[C@@H](O)c1ccc(C(F)(F)F)cc1 1875270796 CCTZMEVWZPXECC-OLZOCXBDSA-N 359.344 2.889 0 50 FFAA CC(C)c1ccc(NC(=O)N2CC3(C2)OC(=O)NC32CCOCC2)cc1 1875288676 VNPUWSQNPORDKQ-UHFFFAOYSA-N 359.426 2.685 0 50 FFAA Cn1c(Cc2ccccc2)cnc1[C@@H]1NC(=O)[C@H]2c3ccccc3CCN12 1875290368 XQKMOWYFVPUSGK-TZIWHRDSSA-N 358.445 2.739 0 50 FFAA Cc1nc(CN2CCC[C@](O)(c3ccccc3)C2)c(Br)[nH]1 1875292734 RDISLLWXHFKHGK-MRXNPFEDSA-N 350.260 2.964 0 50 FFAA Cc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)cc1F 1875360870 KYPRMMRQOQXVEL-MJGOQNOKSA-N 370.424 2.727 0 50 FFAA CN(c1ccccc1)c1ccnc(N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)n1 1875398875 HXCKDYQQADNGQF-CGTJXYLNSA-N 364.453 2.693 0 50 FFAA Cn1nc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1C1CCCC1 1875308955 JRIAFNOYAVPOPX-UHFFFAOYSA-N 362.455 2.702 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1)c1cncs1 1875406341 BPSRRZTYRUYQNX-MGPQQGTHSA-N 353.463 2.640 0 50 FFAA Cc1sncc1C(=O)N1CC2(C1)CN(C(=O)C13CCC(CC1)CC3)C2 1875406639 IVVQRUWTHOFSMO-UHFFFAOYSA-N 359.495 2.706 0 50 FFAA O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1ccc(CN2CCCC2)o1 952982095 QEDPKBQYFXRVAW-UHFFFAOYSA-N 373.497 2.786 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 952863718 WAKWEORSKRDGNM-KRWDZBQOSA-N 356.422 2.812 0 50 FFAA CSc1nc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cs1 1565508700 ZEXHZSJNOOSVGK-ZFWWWQNUSA-N 364.492 2.969 0 50 FFAA CC(C)c1ccnc(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)n1 186488070 ZIWBHOOEUALGGZ-UHFFFAOYSA-N 360.408 2.770 0 50 FFAA C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCCCc3ccccc32)CCS1(=O)=O 170633392 MTWYCSXTQVTKDS-JKIFEVAISA-N 350.484 2.671 0 50 FFAA Cc1ccc(-n2nnnc2NC[C@@H](O)c2ccc(OC(C)C)cc2)cc1 301308639 CZEVLOORATZYPX-GOSISDBHSA-N 353.426 2.903 0 50 FFAA CC[C@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)CCN1Cc1ccccc1 190232417 WTOWOTAERNIOBS-KRWDZBQOSA-N 355.486 2.770 0 50 FFAA C[C@H](Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1)C(=O)O 191385916 XEBONTVRYXQPOO-HIFRSBDPSA-N 370.405 2.530 0 50 FFAA Cc1nc(/C=C/c2ccc(N(C)C(C)C)nc2)[nH]c(=O)c1CCC(=O)O 195503475 FKXLGIXTZJDFAR-VMPITWQZSA-N 356.426 2.506 0 50 FFAA Cc1cccc(CN(C(=O)Cc2cnc(O)n(C)c2=O)C2CCCCC2)c1 1506427488 JRAFRMWUAUENBF-UHFFFAOYSA-N 369.465 2.698 0 50 FFAA CCN(Cc1ccccc1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529194781 CUCUHWQFHYPOAB-RTWAWAEBSA-N 366.461 2.942 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)NC(C)C)C3)C2=O)c1 11817199 OQIBSGLSBCLQPC-HXUWFJFHSA-N 359.470 2.628 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CN1CCCCCC1 11950998 RZCCGPLSFVOOHZ-LJQANCHMSA-N 352.425 2.694 0 50 FFAA COc1ccc(CC(=O)N2CC[C@]3(CCCN(CC4CCC4)C3=O)C2)cc1 12199242 XGMRJWXAFSRJKN-JOCHJYFZSA-N 370.493 2.879 0 50 FFAA COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 12433029 HVOFQVQQBIOIMU-OAQYLSRUSA-N 374.456 2.976 0 50 FFAA CC(C)c1nc2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2o1 12438888 OGBKRJHFECWFQL-UHFFFAOYSA-N 351.410 2.704 0 50 FFAA CCc1ccc(-c2ccc(N3C[C@@H](C)C[C@@H](C)C3)nn2)cc1S(N)(=O)=O 16648137 ROAACHUOLCOMDO-OKILXGFUSA-N 374.510 2.836 0 50 FFAA O=C(/C=C/c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19867748 FJEAUXKPUJICCI-XBXARRHUSA-N 368.408 2.912 0 50 FFAA biogenic O=C(O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 2879395 ULVCBZACPCXZHO-UHFFFAOYSA-N 367.810 2.555 0 50 FFAA CCOP(=O)(OCC)[C@]1(O)C(=O)Nc2ccc(Br)cc21 2939875 JAKUQHVGXURMGL-LBPRGKRZSA-N 364.132 2.812 0 50 FFAA CC(C)[C@H](NC(=O)CN1C[C@@H](CO)Oc2ccccc21)c1ccccc1 229881940 FFOWBMBSTATWKT-UWJYYQICSA-N 354.450 2.760 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@](O)(C(F)(F)F)C2)ncn1 328639478 PODQKWHSNFONGD-KCXAZCMYSA-N 374.407 2.596 0 50 FFAA Cc1nc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)s1 333467360 NBFCDHREAYTVBT-ZIAGYGMSSA-N 372.899 2.910 0 50 FFAA O=C(Nc1cccc(CNC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccncc1 363397577 SBLADANXIMICQT-HXUWFJFHSA-N 373.412 2.954 0 50 FFAA CCc1nc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n[nH]1 157648776 OFOKWLMQXHPZRI-UHFFFAOYSA-N 368.268 2.632 0 50 FFAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 262328945 DZOLXGQOUSEGKY-LLVKDONJSA-N 371.764 2.987 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)[C@@H](O)c1ccc(F)cc1 161883040 WPIFVLBBWQVEPI-SCLBCKFNSA-N 374.412 2.509 0 50 FFAA CC1(C)C[C@@H](NCCNS(=O)(=O)c2cccc(Cl)c2)C(C)(C)O1 162095941 XGQAAZLJBNFLPI-CQSZACIVSA-N 360.907 2.554 0 50 FFAA COc1cc(OC)cc(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1 265254047 KMTFZHBGEOTREX-UHFFFAOYSA-N 363.435 2.809 0 50 FFAA CO[C@H]1C[C@@H](CN(C)C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)N(C)C1 499708347 TZDLYQNOCIHVHA-HOTGVXAUSA-N 370.415 2.915 0 50 FFAA O=C(NCc1ccc2c(c1)CCO2)c1cnc(CC2CCNCC2)s1 912442754 QTCBLUHWMSPBQI-UHFFFAOYSA-N 357.479 2.550 0 50 FFAA CN(C)CC[C@H](NS(=O)(=O)c1cccc2ncccc12)c1cccnc1 921481387 IQTRVOJPJURKAV-KRWDZBQOSA-N 370.478 2.601 0 50 FFAA COc1ccc(C(=O)N2CCc3ccccc3CC2)cc1N1CCOCC1 2100545323 PBOMJUTUADUCSY-UHFFFAOYSA-N 366.461 2.773 0 50 FFAA Cc1cc(O)c2nc(/C=C/c3cnn([C@@H]4CCS(=O)(=O)C4)c3)ccc2c1 2325741784 VFQGFOYYNDUCLR-NKEDHYFDSA-N 369.446 2.975 0 50 FFAA CC(=O)c1cn(C)nc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782274 JPFZYYZFTYHMLU-UHFFFAOYSA-N 361.829 2.960 0 50 FFAA Cc1nc2ccc(N(C)C(=O)c3cc(O)nc4c3CNCC4)cc2s1 2325786409 JCAHCRIPCUXEOR-UHFFFAOYSA-N 354.435 2.628 0 50 FFAA O=C(NCc1ccnc(N2CCNCC2)c1)c1cc2cccc(Cl)c2o1 2325786576 YXZUVFMMNWNVLT-UHFFFAOYSA-N 370.840 2.821 0 50 FFAA Cn1nc(Cn2cc(CNC(=O)OCc3ccccc3)cn2)cc1Cl 2325819465 FVDSGIMGGAHSSX-UHFFFAOYSA-N 359.817 2.745 0 50 FFAA C[C@]1(CNc2ccc(C(=O)N3CC[C@]4(CNC(=O)C4)C3)cn2)CC=CCC1 2325825403 OUKCHOVIMOTHHE-SFTDATJTSA-N 368.481 2.592 0 50 FFAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc(F)cc1 622193 YZRGPQYALMIYTO-UHFFFAOYSA-N 370.833 2.562 0 50 FFAA NC(=O)c1cccc(NC(=O)c2ccccc2I)c1 670458 WTPCVWMOKFCCEZ-UHFFFAOYSA-N 366.158 2.642 0 50 FFAA COc1ccccc1NC(=O)CSc1nnc(-c2cccc(N)c2)n1C 694057 ZGDPCUGORRADJK-UHFFFAOYSA-N 369.450 2.804 0 50 FFAA CS(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3)sc2c1 892887 DTCIHGRNMZJPFS-UHFFFAOYSA-N 362.432 2.717 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 952960 AJHUCLCRIWTQMB-KRWDZBQOSA-N 361.463 2.958 0 50 FFAA Cc1cc(C)cc(N([C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 1072894 NXFBDDWXRUJTST-OAHLLOKOSA-N 352.500 2.907 0 50 FFAA O=C(Cn1ccnc1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356157457 LWAAROAJIRJKMQ-QFIPXVFZSA-N 373.460 2.847 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)C23CC4CC(CC(C4)C2)C3)cc1 3897568 RLSJDLXNDXUIDC-MUGCCGGLSA-N 363.479 2.943 0 50 FFAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 6746545 VNTXFJKJRQXNDZ-KRWDZBQOSA-N 364.511 2.956 0 50 FFAA COc1cccc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)c1 102675437 BAAHYMYZOMUYON-LBPRGKRZSA-N 372.446 2.892 0 50 FFAA COc1cccc(CN2CCN(Cc3ccccc3F)C[C@@H]2CCO)c1 20774752 YOGIXITXBUZYGV-IBGZPJMESA-N 358.457 2.903 0 50 FFAA CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 20567878 ATMKROICGLKZTC-UHFFFAOYSA-N 353.422 2.730 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)CNCCc2c[nH]c3ccccc23)cc1 67982388 KDMPIUZAPHNICI-UHFFFAOYSA-N 364.449 2.921 0 50 FFAA CCOc1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)ccc1O 65395525 GYPRTEHXZQUYHB-FUHWJXTLSA-N 371.433 2.870 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 10165687 IRTXJSIWBSIZDD-UHFFFAOYSA-N 356.397 2.836 0 50 FFAA Cc1n[nH]c(C)c1CN(C)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCC3)cc1 23430075 LADKTTWEDSJWFE-UHFFFAOYSA-N 363.465 2.898 0 50 FFAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2 65431233 NFZGDLSXZVGDAD-NRFANRHFSA-N 352.482 2.816 0 50 FFAA O=C(c1nccnc1-c1nc(CCc2ccccc2)n[nH]1)N1CCCCC1 67872637 GRSGEUOURHKWTB-UHFFFAOYSA-N 362.437 2.673 0 50 FFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(NCc3ccco3)nc2)C1 67787604 PKOOKWOMZKSEML-MRXNPFEDSA-N 356.470 2.994 0 50 FFAA CN(C)c1ccc(N[C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)cn1 328645635 SEHYZLJNHWJFDF-WMZOPIPTSA-N 360.502 2.900 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncnc2cc(F)c(F)cc12 328625093 KKRZKHHPDBBRRP-APPDUMDISA-N 359.380 3.314 0 50 FFAA C[C@@H](c1nnc(SCC(=O)O)n1-c1ccccc1Cl)n1cccn1 67834139 QVKJYHYDDCRXEZ-JTQLQIEISA-N 363.830 2.903 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 67689121 PVFHWHZZKHQMEU-WCQYABFASA-N 357.307 2.558 0 50 FFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(Cc4cccnc4)C[C@@H]32)cc1 64152372 ROUBXSNSDBOULG-VQTJNVASSA-N 367.449 2.728 0 50 FFAA CN(C)c1nc(Cl)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)s1 39518537 MJYKJGILFCLAKK-CQSZACIVSA-N 372.966 2.674 0 50 FFAA Cc1cc(C)cc(N2CCC(N3CCN(c4ncccn4)CC3)CC2)c1 65508079 KMALOIDNLLWTCD-UHFFFAOYSA-N 351.498 2.884 0 50 FFAA Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 219847688 ODRRILCUSSRWJI-WOJBJXKFSA-N 373.424 2.522 0 50 FFAA O=C(CCc1c[nH]c2ccccc12)N1CCCO[C@H](Cn2cccn2)C1 216135383 BKBXPYBJDVQIQV-KRWDZBQOSA-N 352.438 2.615 0 50 FFAA O=C(N1CCN(CCc2ccncc2)CC1)C12CC3CC(CC(C3)C1)C2 32593703 UONDGRVPFZJJTB-UHFFFAOYSA-N 353.510 2.985 0 50 FFAA COC(=O)CCn1cc(CN2CCC(Oc3cccc(F)c3)CC2)cn1 72162606 KQWLNXKSLGNWNI-UHFFFAOYSA-N 361.417 2.629 0 50 FFAA CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCNC1 236589595 VMTCVHDPKVLUBO-RHSMWYFYSA-N 365.905 2.600 0 50 FFAA CC(=O)N1CCN(C(=O)Cc2noc3ccc(F)cc23)CC12CCCCC2 333188734 UJWASHXDOONKCP-UHFFFAOYSA-N 373.428 2.903 0 50 FFAA CCn1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1=O 72479566 TYASTPHHADTLMY-OAHLLOKOSA-N 350.422 2.764 0 50 FFAA C[C@@H](O)c1cccc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)n1 72433478 FRLMAZIOHYVIIE-CQSZACIVSA-N 372.469 2.709 0 50 FFAA CC(C)(C)c1ccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 121703607 VIVDTDAHHIZDEK-APYUEPQZSA-N 372.490 2.583 0 50 FFAA COc1ccccc1[C@H]1CN(CCCn2cccn2)[C@@H]2C3CCN(CC3)[C@H]12 72162692 ZHSWSTDDFKJJSU-CEMLEFRQSA-N 366.509 2.844 0 50 FFAA O=C1COc2ccccc2N1CCC(=O)N1CC[C@H]1c1ccccc1F 374039451 DDEKFORZGYROJI-INIZCTEOSA-N 354.381 2.915 0 50 FFAA Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 77353520 TWXRVIIJTBKHKM-OAQYLSRUSA-N 370.497 2.916 0 50 FFAA O=S(=O)(N[C@@H]1CCCN(c2nc3ccccc3s2)C1)c1cccnc1 72148999 GPFMYHQGFFUHSI-CYBMUJFWSA-N 374.491 2.639 0 50 FFAA COc1cc2c(cc1Cn1ccnc1-c1cc3n(n1)CCCNC3)CCC2 72468488 YVKSUNYWWLCIPW-UHFFFAOYSA-N 363.465 2.786 0 50 FFAA Cc1nc(CN(C)C(=O)c2cn(Cc3c(F)cccc3F)nn2)cs1 72168071 UKAHEIAMWUFVJT-UHFFFAOYSA-N 363.393 2.642 0 50 FFAA O=C(c1ccnc(-n2cccn2)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 286327387 BEOAELBTIDULLB-AABGKKOBSA-N 374.444 2.912 0 50 FFAA O=C1CCCN1CC[C@H]1CN(C(=O)c2ccc(O)cc2O)c2ccccc21 175439070 COFRAOYNUFTEAE-AWEZNQCLSA-N 366.417 2.854 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H]2CCCn3nc(C)nc32)c2ccccc12 177004313 PNLZHWNERFSPNJ-OAHLLOKOSA-N 372.450 2.562 0 50 FFAA CCc1cnc(NC(=O)NCc2ccccc2CS(C)(=O)=O)s1 177080703 PQAGEBOPLIRVPS-UHFFFAOYSA-N 353.469 2.572 0 50 FFAA CC(C)(C(=O)N1CCC[C@H](COc2cccc(F)c2)C1)N1CCOCC1 82166230 AZCVDLCQKCQNPB-INIZCTEOSA-N 364.461 2.554 0 50 FFAA O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)NCC1(O)CCCCC1 426529509 WZENMUVDTKTNCB-LJQANCHMSA-N 359.514 2.893 0 50 FFAA CCn1cc(CN2CCC(Oc3cc(C)ccc3F)(C(=O)O)CC2)cn1 82093071 FTACMTKGKPLEBQ-UHFFFAOYSA-N 361.417 2.849 0 50 FFAA CCc1noc(CNC(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)n1 426443249 JVUTXPMSUKEOFS-UHFFFAOYSA-N 368.441 2.776 0 50 FFAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CC=C(c2ccc(F)cc2)CC1 426699843 ASMSULXTFHKBOR-GOSISDBHSA-N 368.456 2.805 0 50 FFAA COCCn1cncc1CNC(=O)Nc1cc2c(C)cc(=O)oc2cc1C 96141483 QPZZRDXKGFOCBQ-UHFFFAOYSA-N 370.409 2.574 0 50 FFAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCC4(CCO4)CC3)CC2=O)cc1 91713754 AYFIYSPUDSXFMA-QGZVFWFLSA-N 356.466 2.944 0 50 FFAA C[C@H]1CCCN(CCC(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1 97675219 KXTYYDLCRZBEMB-SFHVURJKSA-N 366.509 2.938 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CCC([C@H]2C[C@@H](N)CCO2)CC1 333267431 JUQNQBOGXNUTQX-PKOBYXMFSA-N 368.481 2.539 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)c1cnc(-c2cccnc2)nc1O 91966718 LHETUJPCDXCPPX-UHFFFAOYSA-N 373.416 2.971 0 50 FFAA CC(C)Cc1noc([C@@H](C)NC(=O)c2cnc(CN3CCCC3)s2)n1 97657151 MTVORUXJGSPHCM-GFCCVEGCSA-N 363.487 2.811 0 50 FFAA O=C(NCCc1ccccc1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91536787 DIXHJUKZBGMTRV-NRFANRHFSA-N 355.482 2.663 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(Cc1cnc(C(C)C)nc1)CC2 91304093 LFPOHCXDCDOSGF-UHFFFAOYSA-N 374.529 2.841 0 50 FFAA CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2ncncc2Br)C1 269016567 OUVAACUOESLMGH-NEPJUHHUSA-N 355.280 2.760 0 50 FFAA CN1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCc3ccccc3C1)CC2 91997788 JGOORBFCHLTXFU-SFHVURJKSA-N 364.493 2.520 0 50 FFAA CN1CCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)C[C@H]2C1 244678549 IFOUJZKSBIIEQH-HXUWFJFHSA-N 353.441 2.565 0 50 FFAA CC[C@H](C(=O)O)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 242498522 HKFWELCOJPNKEW-SNVBAGLBSA-N 359.753 2.988 0 50 FFAA O=S(=O)(c1cccc(F)c1F)N1CC[C@H](Oc2cccc(F)c2)C1 183245589 BITXQLDSBJDCDU-ZDUSSCGKSA-N 357.353 2.946 0 50 FFAA Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC(=O)N1CCOCC1 183360866 WXESXLGZUSYEEI-GFCCVEGCSA-N 363.458 2.767 0 50 FFAA CSCC[C@@H](CO)NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 252496865 PTERJALMAVBRBF-INIZCTEOSA-N 360.483 2.681 0 50 FFAA CCc1noc(CC)c1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299741517 FMVQLQWTMQUTSC-AWEZNQCLSA-N 357.458 2.502 0 50 FFAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3csc(C(N)=O)c3)c2)C1 534577163 QVVUQHZNIYOZJG-OAHLLOKOSA-N 357.435 2.799 0 50 FFAA Cc1noc(C)c1CCNC(=O)c1ncn2c1CO[C@H](c1ccccc1)C2 263618938 WFPJUNULJLRCEF-SFHVURJKSA-N 366.421 2.732 0 50 FFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ocnc3C)C2)CC1 55253364 BVKPCPWJACJOKU-GOSISDBHSA-N 368.481 2.718 0 50 FFAA Cc1ncoc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 61969712 LYBGLYIMSSICJY-INIZCTEOSA-N 372.444 2.549 0 50 FFAA Cc1cc(C)nc(S[C@H](C)C(=O)NCCSc2nnc(C)s2)n1 299800281 VMPZBMWSXZYBLZ-SNVBAGLBSA-N 369.541 2.642 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1NC(C)=O 299759560 ORJBBTMZZBYASC-OAHLLOKOSA-N 371.441 2.794 0 50 FFAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1ccccc1-n1ccnc1 827831148 ZMIVRQZYYSFSSP-IBGZPJMESA-N 374.444 2.505 0 50 FFAA Cc1cc(CC(C)C)nc(N2CC[C@H](NCCCc3csc(N)n3)C2)n1 821446102 XMZXHZCLPOJYQS-HNNXBMFYSA-N 374.558 2.823 0 50 FFAA CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CCNCC3)ccc2o1 823635042 KETNKEVVWUJRLU-UHFFFAOYSA-N 371.462 2.733 0 50 FFAA CN(Cc1ccccc1CN1CCCC1)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 827883909 GHAZIRCITHVEOM-LJQANCHMSA-N 371.525 2.888 0 50 FFAA Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2c3c(nn2C)CCCC3)c1 867889025 YVUFUBWZMOSGPS-KRWDZBQOSA-N 360.483 2.528 0 50 FFAA O=C(NC[C@@]12CC[C@@](C(=O)O)(CO1)C2)c1cccnc1Oc1ccccc1 1875300793 QTRHTPJRYMDTKA-PMACEKPBSA-N 368.389 2.628 0 50 FFAA c1nc(C2CC2)ncc1CN1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952890967 PKTMGAIJPDPOKW-SJORKVTESA-N 350.470 2.975 0 50 FFAA O=C(N[C@H]1CCCC[C@H]1O)c1cc(Cl)nn1-c1ncccc1Cl 1875293159 FMEFWAACXLXBGE-CMPLNLGQSA-N 355.225 2.607 0 50 FFAA Cc1cc(F)ccc1CC(=O)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565527273 BSDWAUIEFMEHNH-MSOLQXFVSA-N 371.408 2.782 0 50 FFAA CCN(Cc1cnn(C)c1)C(=O)c1cc(COc2ccccc2F)on1 185744515 JSJQDJCTUGUVBA-UHFFFAOYSA-N 358.373 2.789 0 50 FFAA COc1cccc(CNC(=O)[C@H](C)N2CC[C@H](CNc3ccccn3)C2)c1 171643027 HYGZYCORPVZUNN-FUHWJXTLSA-N 368.481 2.529 0 50 FFAA Cc1cc(C)c2c(c1)CN(C(=O)C(=O)Nc1ccc([S@@](C)=O)cc1)CC2 188235160 RRXMDFUWHXHEKH-AREMUKBSSA-N 370.474 2.564 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 188689434 BZKHTMFNNBEZOS-KRWDZBQOSA-N 373.497 2.856 0 50 FFAA Cc1cc(Cn2nnc(C(=O)OCCc3ccc(F)cc3F)c2C)on1 797049118 ODIKYOYRINAGLC-UHFFFAOYSA-N 362.336 2.609 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCN(C3CCOCC3)CC2)CC1 1506419527 DTMFXCDMOOGKAB-UHFFFAOYSA-N 361.505 2.900 0 50 FFAA Cc1c(C(=O)Nc2nnc(CCN(C)C)s2)n[nH]c1-c1ccccc1 1529095693 SUCJGVQPAFGFMI-UHFFFAOYSA-N 356.455 2.593 0 50 FFAA Cc1nnc(CN(C)C(=O)[C@@H]2CCc3sc(-c4ccncc4)nc3C2)o1 1772809056 KWKNAFVINSDLOQ-CYBMUJFWSA-N 369.450 2.660 0 50 FFAA O=C(c1ccc2c(c1)CCO2)N1C[C@@H]2CNC[C@@]2(CCc2ccccc2)C1 1772706439 ZLAXTHQYLIZMBT-REWPJTCUSA-N 362.473 2.916 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCCN([C@H]2CCSC2)CC1 1772809504 CNAVQBVSPLVXEF-HNNXBMFYSA-N 358.511 2.535 0 50 FFAA Cc1oc2c(c1C(=O)N1CCC[C@]3(CCc4c[nH]nc43)C1)C(=O)CCC2 1775980957 MGKWWONAIWNLFX-FQEVSTJZSA-N 353.422 2.950 0 50 FFAA C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1 11990559 YVOLDOCGAIDGIH-CYBMUJFWSA-N 366.446 2.801 0 50 FFAA CC(C)CN1CCN(Cc2ccc(Oc3ncccn3)cc2)CCC1=O 12037997 IWQBKHDRHDQVKS-UHFFFAOYSA-N 354.454 2.959 0 50 FFAA CCCn1c(C)c(CC(=O)N2CCC[C@H]2CO)c2c1CC(C)(C)CC2=O 12437776 ITYIAIKFAQYJMX-HNNXBMFYSA-N 360.498 2.887 0 50 FFAA Cc1nnc(CCC(=O)NCc2cccnc2N(C)C2CCCCC2)[nH]1 12572991 TVCKOTKPZAEWRS-UHFFFAOYSA-N 356.474 2.526 0 50 FFAA CCN1CCN(C(=O)CCC2CCN(C3Cc4ccccc4C3)CC2)CC1 12709028 RBFSQIVHOIVCSK-UHFFFAOYSA-N 369.553 2.810 0 50 FFAA Cc1ccc(CN2CCN(Cc3c(C)nn(C)c3Cl)CCC2=O)cc1 15000735 NJIZUEXXUGKZNL-UHFFFAOYSA-N 360.889 2.925 0 50 FFAA O=C(CN1CCCCCC1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857678517 MEAQZIPOAOSRKF-VWPQPMDRSA-N 356.510 2.847 0 50 FFAA Cc1nc(CN2CCOC3(CCN(c4ccncc4)CC3)CC2=O)cs1 1857688094 UCEVGAJPELSYGT-UHFFFAOYSA-N 372.494 2.635 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CC[C@H](CO)[C@@H](O)C1 1857720686 FLPOFQPEKITYKK-PELKAZGASA-N 371.277 2.540 0 50 FFAA CCN1CC[C@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 246325389 CNZNMZHJPXWGMB-WMZOPIPTSA-N 355.486 2.744 0 50 FFAA Cn1ncc(C(=O)N2CCCc3c(Cl)ccc(Br)c32)n1 839447193 HYKWBWYSZYYPKU-UHFFFAOYSA-N 355.623 2.824 0 50 FFAA CC(=O)N(C)c1nc(CN[C@@H](Cn2ccnc2)c2ccccc2)cs1 2325761159 AETSCGJJHLCVFD-KRWDZBQOSA-N 355.467 2.853 0 50 FFAA Cn1[nH]c(=NCc2ccc(-n3cnc4ccccc43)cc2)c2c1CCOC2 2325867377 UIQVPAUEQFNJSA-UHFFFAOYSA-N 359.433 2.866 0 50 FFAA CN1CCn2nc(NC(=O)NCc3ccc(C(F)(F)F)cc3)cc2C1 880810802 QAHCEUNHTKOKLH-UHFFFAOYSA-N 353.348 2.669 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 2700611 HLVLHGWZEHZTST-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4186461 QNCJBVMQILHYLX-KRWDZBQOSA-N 361.438 2.964 0 50 FFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2cccc(F)c2)NC(=S)N1 4807045 ZAGZEYVSIOREQK-QGZVFWFLSA-N 355.438 2.935 0 50 FFAA C[C@@H](NC(=O)c1cc2cc(Br)ccc2oc1=O)[C@H]1CCCO1 6698497 DGWGGUFFIOUBAC-NOZJJQNGSA-N 366.211 2.853 0 50 FFAA O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 8016450 CVZQLKALKHVULU-UHFFFAOYSA-N 371.868 2.809 0 50 FFAA C[C@H]1CCC(=O)N1c1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1 55271022 RUMICIYSWLWNCU-KRWDZBQOSA-N 370.541 2.855 0 50 FFAA COC(=O)c1ccc(-c2noc(CN(C)[C@@H](C)c3ccncn3)n2)cc1 55343687 WESWYVZJYDMAIS-LBPRGKRZSA-N 353.382 2.506 0 50 FFAA O=C(NCc1ccon1)c1ccc([C@H]2CCCN2C(=O)c2ccon2)s1 20637083 YYERXEXBXUKMNM-CYBMUJFWSA-N 372.406 2.631 0 50 FFAA Cc1ccc2cc(C3(O)CCN(C(=O)CCn4cccn4)CC3)ccc2n1 67755428 RORKRYIIMXNGOQ-UHFFFAOYSA-N 364.449 2.640 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)Cc3csc(C)n3)cnn2c1 67909278 LWJUCRCXRLRPSE-UHFFFAOYSA-N 372.498 2.608 0 50 FFAA Cc1ccc(NC(=O)NCCNc2ccc(-n3cccn3)nn2)cc1Cl 65365050 HABNMUUOOQUMEN-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA Cc1cc(C)c2c(C)c(C(=O)NC3(CC(=O)O)CCOCC3)sc2n1 119468881 BNMHPSXXOPESGL-UHFFFAOYSA-N 362.451 2.975 0 50 FFAA Cc1sc2nc(CSCC(=O)NCc3cccnc3)[nH]c(=O)c2c1C 36359132 OAMJGHDWRLIQKX-UHFFFAOYSA-N 374.491 2.546 0 50 FFAA CCCc1nc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cs1 72151836 JNTYUHYKVHVWBB-MSOLQXFVSA-N 371.506 2.644 0 50 FFAA Cc1cnc2c(S(=O)(=O)N(C)C[C@H]3CCc4nccn4C3)cccc2c1 328625797 LBYOLXRDDNWXBW-OAHLLOKOSA-N 370.478 2.623 0 50 FFAA Cc1c([C@H]2[C@H](CNC3CC(c4ccccc4F)C3)CC(=O)N2C)cnn1C 328635996 VGQMGFOSODVNAO-BITAJYPMSA-N 370.472 2.923 0 50 FFAA CCN1CCC[C@@H](CN(C)C[C@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1 328651945 WEYWRIVAODNEDI-ORYQWCPZSA-N 374.504 2.998 0 50 FFAA COc1cc(F)ccc1-c1cc(C(=O)O)cc(S(=O)(=O)NC(C)C)c1 71439458 RIZZHJJOPXTXMD-UHFFFAOYSA-N 367.398 2.886 0 50 FFAA O=C1[C@H](N2CCC(c3ccccc3CO)CC2)CCN1CC(F)(F)F 364812281 RNZYBLADOUEKGB-MRXNPFEDSA-N 356.388 2.522 0 50 FFAA CCc1nc(C)c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)o1 77406062 RDCRIZLMSOHDPO-UHFFFAOYSA-N 353.466 2.861 0 50 FFAA O=C(N[C@H]1CCCN(c2cnccn2)C1)C1(N2CCCCC2)CCCCC1 216427604 DIEUPVZPRRZWCW-SFHVURJKSA-N 371.529 2.750 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 72473327 GHHMNDWJPIKIOM-QGZVFWFLSA-N 359.518 2.697 0 50 FFAA Cc1nc(CCNC(=O)[C@H](c2cccc(F)c2)N(C)C)nc2c1CCCC2 219716757 YEJUADZLGQMPJO-FQEVSTJZSA-N 370.472 2.765 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 263045273 WBKNWOPAXIWKEK-HNNXBMFYSA-N 361.369 2.943 0 50 FFAA Cc1ccccc1CC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 219842927 QKUGUABDQALYGR-JOCHJYFZSA-N 361.445 2.858 0 50 FFAA O=C(c1cc2ccccc2c(O)n1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375018512 JTYKOMVPLJASCL-FQEVSTJZSA-N 352.365 2.813 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1nc(N2CCCC2)ncc1Cl 237076227 AWDDBFSVGQFLMI-UHFFFAOYSA-N 374.828 2.701 0 50 FFAA O=C(O)[C@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 238089614 RPKOLNLBHPVNBZ-OAHLLOKOSA-N 368.418 2.685 0 50 FFAA COc1ccc(OC)c(-c2nc(CN(C)Cc3nonc3C)c(C)o2)c1 71422167 YIFAARDYIIIPLC-UHFFFAOYSA-N 358.398 2.991 0 50 FFAA CCN1CCN(c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)n[nH]3)cc2)CC1 175796874 BFVKUUQIECMNTA-RHSMWYFYSA-N 353.470 2.927 0 50 FFAA CN(C)[C@@H]1CCCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1 426411526 QJAQDUOXKONUDK-QGZVFWFLSA-N 362.493 2.920 0 50 FFAA O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CC(O)C3)cc2)[nH]1 48221838 XHMDSWRFMMTMEQ-UHFFFAOYSA-N 367.836 2.934 0 50 FFAA Cc1cccc(OC2CN(C(=O)[C@@H]3CC(=O)Nc4ccc(F)cc43)C2)c1 82087811 FJXBGLKEHQMCMO-QGZVFWFLSA-N 354.381 2.850 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)n1 82230376 CHSONDZKUYRABS-UHFFFAOYSA-N 369.469 2.578 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)NCCc1cn2ccccc2n1 426711997 HAAXCAIVHUOJSQ-UHFFFAOYSA-N 361.449 2.995 0 50 FFAA Cc1cccc(CCN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)n1 426491010 FZQXZQNMBQNOPP-UWJYYQICSA-N 357.498 2.584 0 50 FFAA CN1CCCCC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 97334155 GXZUBYIBFCQJJD-LJQANCHMSA-N 365.468 2.920 0 50 FFAA C[C@@H](CC(=O)N1CCC2(CCC(=O)N(CCCO)C2)CC1)c1ccccc1 91664381 GCMIDUJSOAERCJ-SFHVURJKSA-N 372.509 2.794 0 50 FFAA O=C(NC1(c2ccccc2Cl)CC1)[C@H](c1cccnc1)N1CCOCC1 97604089 MCJLUTJATFJHEZ-SFHVURJKSA-N 371.868 2.914 0 50 FFAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CSC(C)(C)C(=O)N1 97528984 LQSUJYRUASUYIP-ZDUSSCGKSA-N 370.902 2.707 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC2(CC1)Nc1ccccc1NC2=O 92066494 FLHUAERBSZTSSP-UHFFFAOYSA-N 373.416 2.669 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 95527348 QLVPJCGTUQWSGY-CQSZACIVSA-N 351.410 2.828 0 50 FFAA CCOc1ccc2ccccc2c1[C@@H](C(=O)O)N1CCN(CCOC)CC1 95376453 IFKUVVVLIKFMOR-FQEVSTJZSA-N 372.465 2.628 0 50 FFAA CCc1ccc(Cn2nc(-c3ccncc3)nc2CN2CCOCC2)cc1 96131128 OPQOHKIAOPDHMZ-UHFFFAOYSA-N 363.465 2.783 0 50 FFAA CCNC(=O)CN1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1 96130451 VBWXAUQULWJHHA-UHFFFAOYSA-N 366.387 2.512 0 50 FFAA Cc1ccc2nc(C(=O)N[C@H]3CCCN(C(=O)c4cccs4)C3)cn2c1 97660445 YCBVMSKTFBRWCH-AWEZNQCLSA-N 368.462 2.739 0 50 FFAA C[C@@H](NC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1=CCCCC1 96151646 QTJAGUXJVWYWJW-SNVBAGLBSA-N 357.863 2.998 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(-c2ccncc2)n[nH]1 97743638 AVMFTWAWNDENBV-UHFFFAOYSA-N 354.414 2.716 0 50 FFAA C[C@H](NC(=O)C1CCN(C(=O)C2CCCC2)CC1)c1nc(C2CC2)no1 95383878 ZMMQHOHQXKGCFT-LBPRGKRZSA-N 360.458 2.553 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)Nc2cccc3c2CCC3)N1 95509084 PROPSBCJWACDBB-KRWDZBQOSA-N 364.449 2.883 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccc(C)cc2)CN1CC=C(C)C 91895187 SJDKYNPECRFSMI-PMACEKPBSA-N 371.525 2.589 0 50 FFAA CCc1nc(C)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)s1 97744685 YVTVFJTUKHKNSH-MRXNPFEDSA-N 353.451 2.920 0 50 FFAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1csc2c1CCCC2 244794966 QXFJKVPTFLNEQZ-TXEJJXNPSA-N 372.494 2.722 0 50 FFAA O=C(CCc1cccc(O)c1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244594285 DJZDPVPZCGMEOI-KPLVRAHFSA-N 367.445 2.888 0 50 FFAA CCc1nnc(NC(=O)CCN(C)C[C@H]2CCN(c3ccccc3)C2)s1 244884063 YELRDTDPEHQFRV-OAHLLOKOSA-N 373.526 2.887 0 50 FFAA Cc1c(Cl)cccc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 257174179 CZMCPJJZEPJDNV-HNNXBMFYSA-N 357.797 2.728 0 50 FFAA COc1ccc(CN(CCC2=CCCCC2)C(=O)N[C@H]2CCNC2=O)cc1 534635637 MZKQRLQMXFZKAY-IBGZPJMESA-N 371.481 2.986 0 50 FFAA CCc1nnc(CN(C)C(=O)NCCc2csc(-c3ccncc3)n2)o1 534671658 KULMSPJGYPKHFE-UHFFFAOYSA-N 372.454 2.535 0 50 FFAA COC[C@@H](NC(=O)c1ccc(-c2nccn2C(C)C)cc1)c1ccnn1C 534659100 VZLDLSQDRRMAFP-QGZVFWFLSA-N 367.453 2.982 0 50 FFAA COc1ccc(S(=O)(=O)N2CCC(CCC(=O)O)CC2)cc1Cl 275142401 PUUWVKUQYNPYTL-UHFFFAOYSA-N 361.847 2.614 0 50 FFAA CN(C)c1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4cnccn4)c3O2)cc1 299762818 BIIWXTILTTWTQV-SFHVURJKSA-N 374.444 2.943 0 50 FFAA CN(C)C[C@H]1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)o2)C1 299779727 PJYOLTKJNFZJOQ-QGZVFWFLSA-N 367.493 2.862 0 50 FFAA CCOc1ccc([C@@H](C)NC(=O)N(C)C2CCS(=O)(=O)CC2)cc1F 584895829 QWVQHVAZTKFCCV-GFCCVEGCSA-N 372.462 2.504 0 50 FFAA CCCn1ncnc1-c1cccc(C(=O)N(C)Cc2c(C)nn(C)c2C)c1 584888848 XMGCLVUAPWQNHB-UHFFFAOYSA-N 366.469 2.978 0 50 FFAA Cc1c(C(=O)NCCCn2ccnc2C(C)C)cnn1-c1ccccn1 670437768 PYTADHDUCATNDX-UHFFFAOYSA-N 352.442 2.716 0 50 FFAA COc1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)cc1OC 952991931 FEUAICCBXSDSFN-UHFFFAOYSA-N 360.414 2.713 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)C1 1875371694 JJTNZIXLGPGBIT-SNVBAGLBSA-N 364.858 2.577 0 50 FFAA CN(C(=O)c1nc2ccccc2s1)[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 1875310709 ZNUFTOISSCLNQS-DZGCQCFKSA-N 373.478 2.538 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)NCCc2csc(-c3ncccn3)n2)c1C 952977530 ISGXUGLUHXCBFF-UHFFFAOYSA-N 369.450 2.720 0 50 FFAA COc1c(Cl)ncnc1N1CCN(C(=O)OCc2ccccc2)CC1 1565504943 XRLOFPFCZXFYBV-UHFFFAOYSA-N 362.817 2.597 0 50 FFAA CC(C)c1cc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)on1 1565506729 WKKQHNMZFZZLKQ-HIFRSBDPSA-N 360.483 2.878 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccccc1-c1ncc[nH]1 1565505934 KYHDPWMPWYGTSQ-ROUUACIJSA-N 355.438 2.947 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(CO)cc1 1565510783 LZGIPBRQODDYGF-XLIONFOSSA-N 364.445 2.556 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)c2cnc(N)nc2C1 91302752 HYSQSEQOLCFUJX-UHFFFAOYSA-N 365.434 2.551 0 50 FFAA in-vitro CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc3ccccc3c2)n1 643945 FCEVPKDAWILUQM-UHFFFAOYSA-N 361.810 2.939 0 50 FFAA CC1(C(=O)NS(=O)(=O)c2cccc(Cl)c2Br)CC1 408478990 FFSXAQHHVALYIQ-UHFFFAOYSA-N 352.637 2.708 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cn1 190640791 PENNJYNMMUXDQV-QGZVFWFLSA-N 358.369 2.505 0 50 FFAA CC1(C)[C@@H](OC(=O)COc2ccc3c(c2)CCC(=O)N3)[C@H]2CCCO[C@H]21 741751908 IPNCSJKRPZRPSZ-KYNGSXCRSA-N 359.422 2.697 0 50 FFAA COc1ccccc1CN1C(=O)O[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]21 208957985 KWIGMSQGCZFHGD-AEFFLSMTSA-N 373.453 2.743 0 50 FFAA Cn1nc(CNc2nccc(N3CCC[C@@H](O)C3)n2)c2c(Cl)cccc21 1704340402 IHRNRAGYVDPTJP-GFCCVEGCSA-N 372.860 2.590 0 50 FFAA CN(CCc1ccccn1)[C@H]1CCN(Cc2ccc(Cl)s2)C[C@@H]1O 1614386149 XNDGJUQVRHRKSB-IRXDYDNUSA-N 365.930 2.906 0 50 FFAA C[C@H](C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO)c1ccc(-c2ccccc2)c(F)c1 1772808638 WWTBCPFRRFDHIZ-JVPBZIDWSA-N 369.436 2.655 0 50 FFAA CC(=O)c1ccc(N2CCCN(C(=O)COCc3ccccc3)CC2)nc1 1772807209 RIUDKDSGQGNRJL-UHFFFAOYSA-N 367.449 2.540 0 50 FFAA Nc1ncccc1CNC(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772805214 JSTYYIDFHXTQIK-ZDUSSCGKSA-N 365.462 2.604 0 50 FFAA CSc1ccc(CC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1 11662422 PTMUIBWRDLLSNO-KRWDZBQOSA-N 361.555 2.626 0 50 FFAA Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)Cn2cccn2)C1 14969384 GTLARCKBXXLSCM-MRXNPFEDSA-N 372.444 2.988 0 50 FFAA CCc1nnc(-n2ccc3c(cnc4c(-c5ccccc5)c(C)nn43)c2=O)[nH]1 19818825 HNINAVICQDIQON-UHFFFAOYSA-N 371.404 2.689 0 50 FFAA Clc1cccc([C@@H]2CN(c3nccc(N[C@H]4CCCOC4)n3)CCO2)c1 333211641 BQWUBAMKGOORCP-IRXDYDNUSA-N 374.872 3.299 0 50 FFAA O=C1CC[C@H](C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n2cccc21 333412649 HLROVVCNEFKLIU-KBAYOESNSA-N 358.825 2.994 0 50 FFAA Cc1nccnc1N1CCN(C(=O)N[C@H](c2ccccc2)C(F)F)CC1 455639245 FLZYJEZNMLNRFQ-OAHLLOKOSA-N 361.396 2.623 0 50 FFAA CCc1c(C)nc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 253608549 IMPJTVLDVCVWMQ-ZBFHGGJFSA-N 371.510 2.740 0 50 FFAA CCn1ccnc1CN(C(=O)c1cccc(OC)c1)[C@@H]1CC12CCNCC2 261815345 XHWHPXVQXCAEAV-GOSISDBHSA-N 368.481 2.696 0 50 FFAA COCCN(Cc1ccc(C)o1)C(=O)Cn1ccc(=O)c2ccccc21 158777185 KWYWVRZIFGJHQZ-UHFFFAOYSA-N 354.406 2.578 0 50 FFAA O=C(O)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 262471945 JOFMZHSFMOJATB-YESZJQIVSA-N 367.401 2.546 0 50 FFAA CC(C)C(=O)N1CCC(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 263894284 MPYOFXLOAAJMEA-GOSISDBHSA-N 362.445 2.620 0 50 FFAA Cc1nc(CC(=O)N(Cc2nccs2)[C@H]2CC23CCNCC3)cs1 844195362 MSOYAMWWTMSCCO-AWEZNQCLSA-N 362.524 2.621 0 50 FFAA CC1(C)OC(=O)c2c(C(=O)N3CCC[C@@H](c4cc(O)n[nH]4)C3)cccc21 2325803028 JUJQMMOBSUTHJA-LLVKDONJSA-N 355.394 2.541 0 50 FFAA Cc1cccc(Cl)c1CC(=O)N[C@H]1CCN(c2ccn3nccc3n2)C1 2325825036 ASNICGHASDCERC-AWEZNQCLSA-N 369.856 2.629 0 50 FFAA CO[C@@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C(=O)c1occ2c1CCC2 2325828329 DPUHCJGXXZOGKP-RDJZCZTQSA-N 362.470 2.550 0 50 FFAA COC(=O)c1ccn2cc(CN3CCN(C)C[C@H]3c3ccccc3)nc2c1 2325857016 MDKXLFPCGMWXTL-IBGZPJMESA-N 364.449 2.610 0 50 FFAA O=C([C@@H](O)c1ccccc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4857346 XMELLPBLFVJOER-DOTOQJQBSA-N 364.323 2.608 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)cc2)c1 6697342 FVPCPCRBENXJIN-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 6715357 NPRFPORHLJRTSB-JOCCRWCTSA-N 360.429 2.611 0 50 FFAA O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@H]2CCCO2)C1 247741805 OFIFYUIAHUQNPE-TZMCWYRMSA-N 368.275 2.674 0 50 FFAA CCCCn1c(CN2CCOCC2)cnc1S(=O)(=O)CCCC(C)C 20781704 HWPTXEAXKGZYJZ-UHFFFAOYSA-N 371.547 2.725 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3ccc(OC)c(C)c3C)C2)nn(C)c1=O 67643412 QTBHDRLSBYYUML-QGZVFWFLSA-N 358.486 2.607 0 50 FFAA Cc1cnc(NC(=O)c2ccc(CN(C)Cc3cnc(N)nc3)cc2)s1 65530011 WFOMODBGRXWTPI-UHFFFAOYSA-N 368.466 2.708 0 50 FFAA CCN(Cc1cccc(C(=O)Nc2cc(C)nn2C)c1)C[C@@H]1CCCO1 67743676 QITXFANAWATTEX-SFHVURJKSA-N 356.470 2.982 0 50 FFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)c2csnc2C)CC1 328626823 FLNUDDNNPTWUCV-CQSZACIVSA-N 363.487 2.660 0 50 FFAA COc1ccc(C(=O)CCC(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1 215725935 KRWUPOFDMXCSIZ-INIZCTEOSA-N 361.438 2.503 0 50 FFAA Cc1ccc(C2CCN(S(=O)(=O)c3cccc4c3OCCO4)CC2)cn1 329462285 QBNNRZKLZDFBKR-UHFFFAOYSA-N 374.462 2.730 0 50 FFAA COc1ccc2c(CC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)coc2c1 154227425 UFMXORDYNUOISM-OAHLLOKOSA-N 368.437 2.503 0 50 FFAA Cc1nn(C)c(C)c1CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 174303970 NHAFRQLJTBFHCC-IBGZPJMESA-N 369.513 2.843 0 50 FFAA Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(CCCc1ccccc1)C2 219202131 OYOWGSBPVHNHLD-NRFANRHFSA-N 365.481 2.537 0 50 FFAA O=C(c1cn[nH]n1)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 72154879 MBKXSDZTVLABOF-UHFFFAOYSA-N 356.817 2.868 0 50 FFAA Cc1ccncc1C(=O)N1CCC(C(=O)O)(n2ccc(C(C)(C)C)n2)CC1 72420254 HMAACLZQSNBVJZ-UHFFFAOYSA-N 370.453 2.600 0 50 FFAA Cn1nnc2cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)ccc21 158287033 LHFWBNMJLOTTOP-UHFFFAOYSA-N 369.856 2.580 0 50 FFAA Cc1nc2nc3ccn(Cc4ccccn4)c(=O)c3c(-c3ccccc3)n2n1 38828672 WUOICSVMYPBEIP-UHFFFAOYSA-N 368.400 2.858 0 50 FFAA CC(C)SCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 72144202 AYHDUHGHRMCHTL-IBGZPJMESA-N 361.555 2.941 0 50 FFAA Cc1nc(CCN(C)c2cc(-c3ccc(F)cc3)nc3ccnn23)no1 72457781 WHLKHNGDDTYXMP-UHFFFAOYSA-N 352.373 2.906 0 50 FFAA O=C(c1cccs1)[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 72324261 XJLGKMLNHFGDSO-LBPRGKRZSA-N 367.430 2.720 0 50 FFAA Cc1cc(N2CCn3nc(CCC(=O)O)cc3C2)nc(-c2ccccc2)n1 72469303 LAPPMUUTMYEMBJ-UHFFFAOYSA-N 363.421 2.686 0 50 FFAA c1ccc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc1 72165080 FJAWWNZABWQJHR-STZQEDGTSA-N 363.461 2.873 0 50 FFAA Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(C2CC(O)C2)n1 222538836 HRXMCDCBIZQGKR-UHFFFAOYSA-N 360.845 2.519 0 50 FFAA O=C(CCCOCc1ccccc1)NC1CCN(C(=O)N2CCCC2)CC1 220663321 GEAUYVFETSQDGH-UHFFFAOYSA-N 373.497 2.780 0 50 FFAA CC(C)Oc1cccc(C(=O)N2CCC(n3cc(C(C)(C)O)nn3)CC2)c1 48205469 CMSQNTYXLBHAKK-UHFFFAOYSA-N 372.469 2.770 0 50 FFAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCn1c(C)cccc1=O 426533732 FFGKYOZOALGSEG-QGZVFWFLSA-N 370.449 2.974 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1coc2ccccc12 223206794 IFVCSAVMBODVEQ-IEBWSBKVSA-N 352.390 2.932 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cn1c(=O)c(C)nc2ccccc21 95515239 CNENHVWPXXEMPG-QGZVFWFLSA-N 366.421 2.673 0 50 FFAA O=C(NCCCN1CCC[C@@H](CO)C1)N1CCC(c2ccccc2)CC1 426536485 OYIJZJCGXPWDTE-GOSISDBHSA-N 359.514 2.670 0 50 FFAA CN(CCc1ccccn1)C(=O)NCCN1CC[C@@H](c2ccccc2)C1 426677985 JOWHXUPPEPHUPS-LJQANCHMSA-N 352.482 2.755 0 50 FFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCC(N2CCSCC2)CC1 97822974 XUSYOYDDLVVLEG-UHFFFAOYSA-N 373.566 2.936 0 50 FFAA CC(=O)c1ccccc1C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91416613 PEXZCWNIQSPROK-UHFFFAOYSA-N 354.450 2.896 0 50 FFAA COCCn1ccnc1C1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)CC1 91587041 QWLZLHDGDMLFCV-UHFFFAOYSA-N 367.453 2.734 0 50 FFAA CCc1ccc(CN2C[C@H](c3nc(-c4ccc(C)nn4)no3)CC2=O)cc1 91474930 YCSGAVQPTQUFOZ-MRXNPFEDSA-N 363.421 2.914 0 50 FFAA O=c1[nH]c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12 96300972 NZSQVDYHLOAUTF-UHFFFAOYSA-N 354.841 2.899 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)c(OC)n1 96133496 XJQFULBRGGMGIB-LBPRGKRZSA-N 359.386 2.728 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2n[nH]c3c2CCCC3)n1 96138279 SZERICWWFQXAHI-SNVBAGLBSA-N 369.391 2.878 0 50 FFAA COc1nc2c(cc1C(=O)N1CC[C@](O)(c3ccccc3C)C1)CCC2 92081260 HTYHWCJZWRPYMQ-OAQYLSRUSA-N 352.434 2.621 0 50 FFAA COc1cc(F)c(CN2C[C@@H](C(=O)O)[C@H](c3ccccn3)C2)cc1OC 91256074 DHWFZQQFPQJSJS-ZIAGYGMSSA-N 360.385 2.538 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCC(Cc3noc(C)n3)CC2)N(C)C)cc1 95356076 HOEOVNWFPPIJEF-IBGZPJMESA-N 356.470 2.770 0 50 FFAA COc1cc([C@@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@H]2CO)ccc1O 257428667 GRYMYKQGSSTJBA-MDOVXXIYSA-N 358.390 2.668 0 50 FFAA endogenous,in-man COc1ccc(C(=O)CNC(=O)COc2cccc3c2ccn3C)cc1 252493441 NBYOYVKLBHKSRM-UHFFFAOYSA-N 352.390 2.565 0 50 FFAA O=C(CCN1CC[C@@]2(CC(=O)c3ccccc3O2)C1)Nc1nccs1 252483733 FHLWXIIUWQVPQI-GOSISDBHSA-N 357.435 2.582 0 50 FFAA CCCN(CC1CC1)C(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 263619547 ZEOWXFHLVFSHGH-GOSISDBHSA-N 370.453 2.820 0 50 FFAA NC(=O)Cc1cccc(NC(=O)NC2CCN(c3ccccc3)CC2)c1 299758244 NLAOTEFCUOZBOG-UHFFFAOYSA-N 352.438 2.505 0 50 FFAA COc1ccc([C@H](C)NC(=O)N2CCC(N3CCOCC3)CC2)cc1C 584901178 DYVGKNFZFQHLGI-INIZCTEOSA-N 361.486 2.571 0 50 FFAA O=C(c1cnc(O)c2ccccc12)N1CCN[C@H](Cc2ccc(F)cc2)C1 1454263726 XCBOBOVHYWRLJN-MRXNPFEDSA-N 365.408 2.736 0 50 FFAA OC1(c2cccc(Cl)c2)CCC(NCCN2CCCOCC2)CC1 952845492 DMXUJZQSKQECBC-UHFFFAOYSA-N 352.906 2.782 0 50 FFAA COCC(=O)NCCCN[C@H](C)c1cc(Cl)ccc1OC(F)F 1875292109 WROXNGTXDRKXAN-SNVBAGLBSA-N 350.793 2.745 0 50 FFAA O=C(c1cc2ccccc2cc1OC[C@@H]1C[N@@]1CC1CC1)N1CCOCC1 1875385394 SBVNJVSFKJWGCP-YADARESESA-N 366.461 2.785 0 50 FFAA CCS(=O)(=O)c1ccccc1CCN=c1[nH]c2ccc(F)cc2n1C 1875317119 NTHJCYHSSCCBLV-UHFFFAOYSA-N 361.442 2.583 0 50 FFAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1ccc2c(c1)COCC2 1875398755 DHPYEBOCMQOOCA-ZWKOTPCHSA-N 354.454 2.567 0 50 FFAA Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H](O)C2)cc(-c2ccccc2)c1 1875307020 HFMJAWHJFFWGNS-HNAYVOBHSA-N 352.434 2.878 0 50 FFAA O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1)c1cncs1 1875406340 BPSRRZTYRUYQNX-MCIONIFRSA-N 353.463 2.640 0 50 FFAA CCc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C2Cc4ccccc4C2)C3)n[nH]1 1565525586 YAVGBVBVCQTQOA-BEFAXECRSA-N 364.493 2.676 0 50 FFAA CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc(-c2ncn[nH]2)cc1 186199050 XIFAQBCWKYFQCM-SFHVURJKSA-N 350.422 2.885 0 50 FFAA CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 170598943 YDDPQSLCMHGFPQ-WMLDXEAASA-N 352.500 2.976 0 50 FFAA C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(CC(C)(C)O)CC1 171155231 XQFJVACUSSSAOL-LBPRGKRZSA-N 374.312 2.709 0 50 FFAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](C)n3cnc4ccccc43)C2)no1 171485779 KGEAXOLFCLGBEW-UKRRQHHQSA-N 353.426 2.770 0 50 FFAA CCO[C@@H]1C[C@@](O)(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)C1(C)C 225594773 DKGLZHLISJFWQA-WIBUTAKZSA-N 362.470 2.860 0 50 FFAA Cc1ncn(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c1C 188243207 GWUHQMNOARQCOM-UHFFFAOYSA-N 350.300 2.977 0 50 FFAA CC(C)N1CCO[C@@H](C(=O)N(C)Cc2cc(Br)ccc2F)C1 225705677 ANFPHHUFVAHISS-OAHLLOKOSA-N 373.266 2.656 0 50 FFAA CN1C(=O)CCc2cc(C(=O)N3CCCCC[C@H]3c3ncon3)ccc21 189655878 DCEPMNGFRJJUPH-INIZCTEOSA-N 354.410 2.736 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)CO2 192521811 XHBDGEJWGXVRSR-OAHLLOKOSA-N 354.406 2.587 0 50 FFAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(O)nn2)C1 773190344 SWHAEMLELHYPQV-CYBMUJFWSA-N 351.410 2.572 0 50 FFAA O=C(O)c1c(N2CCCN(c3ncccn3)CC2)noc1-c1ccccc1 1704316388 ZIOUWVJIXNBDCR-UHFFFAOYSA-N 365.393 2.547 0 50 FFAA CN(C)c1nc(N[C@H]2COC[C@H]2Cc2ccncc2)cc(C(F)(F)F)n1 1704326018 RDIOHEZCELKIQG-OLZOCXBDSA-N 367.375 2.626 0 50 FFAA CCC(=O)N[C@@]1(C)CC2(CCN(C/C=C/c3ccccc3)CC2)OC[C@@H]1O 1772710285 PQJRGCGXKDRBOU-VPAMFCPISA-N 372.509 2.601 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@@H]2CNC[C@]2(CCc2ccccc2)C1 1772709773 MLZJTBYVCNGFQG-HTAPYJJXSA-N 360.461 2.857 0 50 FFAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CNCC1CCCCC1 11818282 NELVXWDGRKXDRA-HXUWFJFHSA-N 366.452 2.988 0 50 FFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2CC2)C1 12471187 DCGVXHZXTRFPOA-GOSISDBHSA-N 373.541 2.707 0 50 FFAA Cc1cc(C)c2c(O)nc(SCC(=O)NCc3ccccc3)nc2n1 13126107 LWFCKAMYHRHYHA-UHFFFAOYSA-N 354.435 2.756 0 50 FFAA O=C1CC[C@H](CCNCc2ccccc2)N1C[C@H]1COc2ccccc2O1 14992317 OAQXEIVHZMHDPV-MOPGFXCFSA-N 366.461 2.997 0 50 FFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19533330 ABPMXXWAJNMAQJ-UHFFFAOYSA-N 360.479 2.592 0 50 FFAA CN1CCC(Cn2ccnc2-c2cccn(C)c2=O)(c2ccccc2)CC1 1857671776 PKUCDNFHICVHRX-UHFFFAOYSA-N 362.477 2.912 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cccc4c3CCC4=O)CC2)O1 1857696416 ZHKGVHJLPPKPFP-CABCVRRESA-N 357.450 2.740 0 50 FFAA NC(=O)CCCn1cc(-n2ccnc2-c2coc(-c3ccccc3)n2)cn1 1857705708 RVBFDUJEDRWSOO-UHFFFAOYSA-N 362.393 2.656 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc5cccc(F)c5n4)[C@@H]2CC(=O)N13 1857718647 YNNPATKVXBUIKY-UEXGIBASSA-N 369.440 2.932 0 50 FFAA O=C(NCCOc1ccc(F)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 121930316 BAFVNXXZVOXYKH-ACJLOTCBSA-N 354.397 2.680 0 50 FFAA CCNc1cc(C)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1 239762203 CLJNCCKCHARCEE-UHFFFAOYSA-N 353.470 2.826 0 50 FFAA CNC(=O)[C@H]1CCCCN1C(=O)c1cc(C(C)C)n(-c2ccccc2)n1 155241288 AJYGKLFGSDKPGF-QGZVFWFLSA-N 354.454 2.736 0 50 FFAA Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C 718733 DEWURXKOIUCCHZ-UHFFFAOYSA-N 367.478 2.730 0 50 FFAA O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1cccc(C(F)(F)F)c1 4304360 QBVFPPZJKYXGGZ-CYBMUJFWSA-N 356.300 2.870 0 50 FFAA Cc1cccn2c(=O)cc(N(C)CC3CCN(c4ccncc4)CC3)nc12 2325789309 JDFXHJPJQSZIMW-UHFFFAOYSA-N 363.465 2.751 0 50 FFAA CC[C@@]1(F)CCN(c2nnnn2CCc2ccc(OC(F)F)cc2)C1 2325860920 ZAOSIUAZMQNBFH-MRXNPFEDSA-N 355.364 2.846 0 50 FFAA Cc1ccncc1C(=O)N1CC(C)(NC(=O)c2ccc3cccnc3c2)C1 2325871459 MBCFPFSRQAZCDB-UHFFFAOYSA-N 360.417 2.583 0 50 FFAA CCOC(=O)c1sc(NC(=O)COc2ccccc2OC)nc1C 622224 IKGPJGFWLTUENE-UHFFFAOYSA-N 350.396 2.654 0 50 FFAA CCOc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 1109209 UXCCHRSSOPFYGH-CQSZACIVSA-N 362.451 2.699 0 50 FFAA O=C(O)c1cc2c(s1)C1(CCN(Cc3cnsc3)CC1)OCC2 2356135413 CWTJFYBKLAJBAN-UHFFFAOYSA-N 350.465 2.967 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1 2854615 UPSWMJUZWNUIBM-UHFFFAOYSA-N 357.410 2.806 0 50 FFAA COCCN1CCC[C@]2(CCCN2Cc2ccc(OC(F)F)cc2)C1=O 2356158810 AJIVKVNRGFJXMW-IBGZPJMESA-N 368.424 2.891 0 50 FFAA COC(=O)C1=NN[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 4872806 REVJLUNGAAKXGM-CVEARBPZSA-N 372.808 2.816 0 50 FFAA COc1ccccc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20668189 VWXHXAFEPWGADY-JXMROGBWSA-N 365.477 2.965 0 50 FFAA CCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 55133277 PGYVAYYDGVFYIJ-LJQANCHMSA-N 351.450 2.787 0 50 FFAA O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccccc2)CC1 22033322 ACMIQVOLDKSULT-LJQANCHMSA-N 360.885 2.898 0 50 FFAA COC[C@@H](C)NC(=O)C1CCN(C(=O)c2c(C)c(C)cc(C)c2C)CC1 55310003 NPSOFLRCFLIZFZ-OAHLLOKOSA-N 360.498 2.924 0 50 FFAA COc1ccc(NC(=O)[C@H](C)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cc1 249589460 UYPSNKREIQOCEE-YEWWUXTCSA-N 360.479 2.792 0 50 FFAA CCc1c(O)nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[nH]c1=O 10059011 KXZBSEOXKDHADM-MRVPVSSYSA-N 353.831 2.811 0 50 FFAA CCn1cnc(NC(=O)c2ccc(CN3CCn4cccc4[C@@H]3C)cc2)n1 65459284 CIKZXAQAZAHMNU-HNNXBMFYSA-N 364.453 2.929 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 67854693 FBWLJKTWTQOKMX-UHFFFAOYSA-N 366.421 2.507 0 50 FFAA CCCN(CC1CC1)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 67772351 KPDVCOOTGPWHRN-QGZVFWFLSA-N 373.497 2.624 0 50 FFAA Cc1nc(C)n(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)cc2)n1 252510663 BCRWEPCBZUZZOZ-JQHSSLGASA-N 368.437 2.742 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC(c3ccnc(N)n3)CC2)c1 216371185 DKWIKBPCELLGDC-UHFFFAOYSA-N 364.453 2.633 0 50 FFAA COc1cc(CC2CN(C(=O)C[C@@H](O)c3ccccc3)C2)cc(OC)c1 360417413 BUCBNMDJSQBEIE-HXUWFJFHSA-N 355.434 2.828 0 50 FFAA COc1cc(CN2CCC[C@H](CNC(=O)c3cc(C)on3)C2)ccc1F 12315569 USKDTKKUIGXUEX-OAHLLOKOSA-N 361.417 2.773 0 50 FFAA CC(C)Oc1ccc(N(C)C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)cc1 365252120 UWPQDEHLZZJQFA-INIZCTEOSA-N 351.468 2.652 0 50 FFAA CN1CCC[C@@H](CNCC2=Cc3ccccc3OC2)[C@@H]1c1ccnn1C 284682809 XIGAUEKOSBMYQL-GHTZIAJQSA-N 352.482 2.869 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1Cn1cccn1 31592588 FWQAUVNPBRWDTH-UHFFFAOYSA-N 351.454 2.531 0 50 FFAA C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(F)ccc1F 433499423 CMVAJMZOJUGTQF-MEDUHNTESA-N 353.390 2.978 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 329959209 QLXHCQUHCLPIAN-YWZLYKJASA-N 368.433 2.988 0 50 FFAA COCc1cccc(C(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)c1 330549051 BJSXKPAULBRKNO-HUUCEWRRSA-N 358.360 2.505 0 50 FFAA C[C@H](C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1)c1cccs1 285741840 YXHPPQJCGUGSNN-QWRGUYRKSA-N 374.388 2.606 0 50 FFAA Cc1cc(C(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)n(C)n1 263144328 WXDWSQIOXPAEIC-HNNXBMFYSA-N 356.209 2.765 0 50 FFAA O=C1CC[C@@]2(CCCN(c3nc4ccccc4s3)C2)CN1CCCO 77406027 KLEWWWZCWWQWNS-IBGZPJMESA-N 359.495 2.888 0 50 FFAA COc1ccccc1OC1(C(=O)O)CCN(C(=O)C[C@@H]2C=CCC2)CC1 72430753 BKISCCBLBAKXCX-OAHLLOKOSA-N 359.422 2.876 0 50 FFAA Nc1nccnc1C(=O)N(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 133132222 JUKVCSGWYKSELS-JOCHJYFZSA-N 374.444 2.535 0 50 FFAA CC[C@H](C)Oc1ccccc1CNC(=O)CCc1cc2n(n1)CCCNC2 72473964 NHPVDCZGJGTFGF-INIZCTEOSA-N 370.497 2.803 0 50 FFAA Cc1nccnc1N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77487735 IXFDFOOPOPDLBJ-UHFFFAOYSA-N 367.501 2.691 0 50 FFAA O=C(COc1ccc(F)cc1F)N1CCC[C@@H](OCc2cccnc2)C1 223105992 MZEGSIZALROAQT-MRXNPFEDSA-N 362.376 2.946 0 50 FFAA COc1ccc(-c2noc([C@@H](C)NC(=O)c3sc(N)nc3C)n2)cc1 223895780 MVUDSHFCXNXYNC-SECBINFHSA-N 359.411 2.583 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)C2)cc1 177091295 OFGUYNBZLBPJII-YTQUADARSA-N 369.509 2.589 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 82098297 HEIMLMFUXGNGOF-NRFANRHFSA-N 367.497 2.560 0 50 FFAA COC(=O)c1sccc1NC(=O)N1CCN(Cc2cccs2)CC1 17075113 VQUYYUAMDOWLCE-UHFFFAOYSA-N 365.480 2.946 0 50 FFAA CC[C@H](NC(=O)N1Cc2nc(C)nc(O)c2C1)c1nc2ccc(C)cc2[nH]1 426428315 VGDAMHLJXZUBIA-ZDUSSCGKSA-N 366.425 2.852 0 50 FFAA Cc1cc(C)n(CCC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)n1 426381848 ZYYBTBCGYFVWKU-HKUYNNGSSA-N 371.456 2.917 0 50 FFAA COc1ccc(CCC(=O)N2CCN(c3ccccc3C)C(=O)C2)cc1 82147831 LTJUVDJRFQNQRT-UHFFFAOYSA-N 352.434 2.812 0 50 FFAA Cc1cc(C)n(C2CN(C(=O)NCCSc3nc4ccccc4o3)C2)n1 426444871 DYSUFULEYQUNJL-UHFFFAOYSA-N 371.466 3.000 0 50 FFAA O=C(COC[C@@H]1CCCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 91914901 DSOUWLZXOVZVHM-AWEZNQCLSA-N 373.280 2.838 0 50 FFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCc1cc(CC(C)C)no1 426662473 SBASAYWGCLNTJD-SFHVURJKSA-N 361.442 2.844 0 50 FFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1cn2c(n1)SCC2 426414805 UUMFZXNCIOVZRR-GFCCVEGCSA-N 374.466 2.663 0 50 FFAA Cc1nc2ccccc2n(CC(=O)N2CC[C@H](c3ccccc3F)C2)c1=O 95511932 VNCIAORLCKKDCR-HNNXBMFYSA-N 365.408 2.860 0 50 FFAA COc1coc(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)cc1=O 95359116 WLRJXKSBKFDCIY-CYBMUJFWSA-N 367.405 2.853 0 50 FFAA COCCN1C[C@H](C2CC2)[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 91289436 FKJUZHBQDUUORO-ZBFHGGJFSA-N 356.388 2.792 0 50 FFAA CCCn1cc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)c(C)n1 91915405 MSBMWMKKXCJLAS-UHFFFAOYSA-N 370.501 2.939 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91325708 DATZGOCXPNYSBU-HZPDHXFCSA-N 370.415 2.872 0 50 FFAA O=C(CCc1cn2ccccc2n1)N(CCO)Cc1ccccc1Cl 97572123 DMRRRFBEFBZULR-UHFFFAOYSA-N 357.841 2.941 0 50 FFAA CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 236703125 LBCDLKXXRPZFQB-SHACYNPGSA-N 351.468 2.920 0 50 FFAA Cc1cccc(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c1 91548434 ZCIHZFRTFDQOGD-GOSISDBHSA-N 350.470 2.748 0 50 FFAA COCCNC(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 95526267 DPBXMUBKPKYOSQ-HNNXBMFYSA-N 365.449 2.921 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CCN(C(C)C)CC2)n1 95363111 OPALGUQPZXLPJH-UHFFFAOYSA-N 358.408 2.583 0 50 FFAA Cc1ccc([C@H](CNC2CCN(c3cc(C)nc(N)n3)CC2)N(C)C)cc1 95379655 OPBIJFRGRMADHR-IBGZPJMESA-N 368.529 2.537 0 50 FFAA CCn1ccnc1C1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 91781092 GJXQFGLJAPBUAP-UHFFFAOYSA-N 351.447 2.919 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 91707859 CETGOHVAZYOWPT-FQEVSTJZSA-N 371.437 2.810 0 50 FFAA CC(C)N1CC2(CCC1=O)CCN(C(=O)Cc1ccc(N(C)C)cc1)CC2 91504338 YDAQTMHVMYINSA-UHFFFAOYSA-N 371.525 2.935 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCO1 238198026 FHSPOZQWTWFDCA-SECBINFHSA-N 357.193 2.790 0 50 FFAA Cn1cc(CN(C(=O)Nc2cccc(N3CCOC3=O)c2)C2CC2)cn1 96163939 ABNQBHHYDLZEID-UHFFFAOYSA-N 355.398 2.573 0 50 FFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nccs1)C=C2 253414655 YCQUBCJAQGMCPN-UHFFFAOYSA-N 373.434 2.545 0 50 FFAA biogenic Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC[C@@H](C(=O)O)C1 299743185 MLEKVVADPSJUPZ-GFCCVEGCSA-N 363.364 2.704 0 50 FFAA COc1cccc(-n2cc(CN(C)CC(=O)NCc3cccs3)cn2)c1 252499309 RYOKXWOAFHCXIV-UHFFFAOYSA-N 370.478 2.691 0 50 FFAA O=c1cc(CN2CCO[C@@H](c3ccccc3)C2)nc2sc(C3CC3)nn12 252509888 YXMUHMFHMXNZTG-MRXNPFEDSA-N 368.462 2.602 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2ccccc2Cl)[C@H]2C[C@@H](O)C2)cn1 252540323 PCTJLKVXYBXJGL-ZRGWGRIASA-N 360.841 2.915 0 50 FFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(C(C)=O)cn2)cc1 534631087 MJJXCIWPEYHKOW-CYBMUJFWSA-N 353.422 2.548 0 50 FFAA CCOC(=O)C1=C(CN2CCCC2)NC(=O)N[C@H]1c1cc(C)ccc1C 55220569 RPJDMOITEINOJV-SFHVURJKSA-N 357.454 2.570 0 50 FFAA C[C@H](Cc1ccncc1)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67692931 LRKMFTNKJDIAGA-CQSZACIVSA-N 360.421 2.564 0 50 FFAA CCCN1CCOC2(CCN(C(=O)c3ccc4c(c3)CCCO4)CC2)C1 822921712 VMEIYNGJNXAUGV-UHFFFAOYSA-N 358.482 2.729 0 50 FFAA Cc1nc(-c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)n3cccc3)c2)n[nH]1 827654535 PQYDCUGMADALPC-KRWDZBQOSA-N 361.409 2.727 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)c1cnc(O)c2ccccc12 828136808 FKPASVVLWIPLML-UHFFFAOYSA-N 351.410 2.967 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)nc(O)n1 670444632 OKSFSRDTCHKVTE-AWEZNQCLSA-N 374.510 2.837 0 50 FFAA Clc1cccc(Cn2ncc3c(N4CCOC5(CC5)C4)ncnc32)c1 1875306409 DZWUIXUOXTZNKO-UHFFFAOYSA-N 355.829 2.897 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(CO)CC(c4ccccc4)C3)n[nH]c21 1875394953 CUJRZIFVNWNFPY-YSNIEIRRSA-N 369.465 2.718 0 50 FFAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21 1875392185 WRNDXLVTJNDQAL-XPLWTBFPSA-N 372.266 2.741 0 50 FFAA O=C1COc2cc(F)c(C(=O)NCCc3nc4ccccc4s3)cc2N1 1875320856 NGMMBWNHDWOTJB-UHFFFAOYSA-N 371.393 2.739 0 50 FFAA Cc1nc(C(=O)N2CCCC3(CCCC3)CC2)nc(N2CC[C@@H](N)C2)c1C 1875301587 ONLNLGCEORGFEJ-QGZVFWFLSA-N 371.529 2.817 0 50 FFAA COc1cccc(Oc2ccc(NC(=O)c3cccn(C)c3=O)cn2)c1 952965790 CQYZDYDUTCSZIJ-UHFFFAOYSA-N 351.362 2.834 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cnc3cnccc3c2)C1 888103266 STHBHSZTTBEESX-WBVHZDCISA-N 351.410 2.572 0 50 FFAA CCNc1nc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cs1 270944983 WFKBELWQIYFHOE-ZDUSSCGKSA-N 360.487 2.870 0 50 FFAA COC[C@H]1[C@@H](NC(=O)c2cc3cc(Cl)cc(OC)c3o2)[C@H]2CCO[C@H]21 1565512942 WFWOCUCLMLTEHB-PZNPJNSTSA-N 365.813 2.875 0 50 FFAA O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(CCC(F)(F)C(F)F)C2 1073310884 XEWDJKKMPINFSQ-STQMWFEESA-N 359.367 2.909 0 50 FFAA COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C 205821866 QFOYNDFIBXQVIO-UHFFFAOYSA-N 358.419 2.656 0 50 FFAA O=C1[C@H](N2CCc3[nH]ncc3C2)CCN1c1ccc(Cl)cc1Cl 276463779 XDSYBNLGECZQCJ-OAHLLOKOSA-N 351.237 2.880 0 50 FFAA COCCN(C)c1ccnc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 170601895 ZWMNLWSAGOJMRU-AWEZNQCLSA-N 360.483 2.641 0 50 FFAA Cc1nscc1C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 190572593 WBKKHBFLWQFBED-ZDUSSCGKSA-N 350.513 2.811 0 50 FFAA Cc1nc(C)c(CCC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(=O)[nH]1 190683877 YCILPYSKEBQGKR-ZDUSSCGKSA-N 359.392 2.756 0 50 FFAA Cc1cccc2c1OCC[C@@H]2NC(=O)CNC(=O)c1ccc(F)cc1F 190613723 LDXJCPTZJTYLBS-INIZCTEOSA-N 360.360 2.643 0 50 FFAA Cc1nc(CNC2(c3ccc(Br)cc3)CCOCC2)no1 194312778 DPXHFTVTRRQBMR-UHFFFAOYSA-N 352.232 2.936 0 50 FFAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N(C)Cc1nncn1C(C)C 1506413197 IHQZLHKEWROLOW-HNNXBMFYSA-N 352.822 2.779 0 50 FFAA CCOc1ccc2ccccc2c1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312124 KNFCPNYKZZIJPI-BGYRXZFFSA-N 355.390 2.600 0 50 FFAA COc1cccc2ccc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)nc12 1704299048 LYEUARIILAJZTP-TZIWHRDSSA-N 355.482 2.522 0 50 FFAA COc1ccc(-c2cccc(C(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)c2)cc1 1616067306 BQNOJDSMHTZYBU-OALUTQOASA-N 350.418 2.912 0 50 FFAA Cc1sc(-n2cccc2)nc1C(=O)N1CCN(c2ccccn2)CC1 11866110 QFYPESYHJKZLKC-UHFFFAOYSA-N 353.451 2.600 0 50 FFAA O=C(NCCc1cccs1)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12301216 WQADPZWCGKEFKB-UHFFFAOYSA-N 371.418 2.751 0 50 FFAA Cc1ccc(CN2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 12439501 HHLNZZIQXJQNQE-OAHLLOKOSA-N 356.422 2.959 0 50 FFAA COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1C 13648266 ORHAKAAOTKMOJM-HUUCEWRRSA-N 354.516 2.650 0 50 FFAA Cc1scc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1C 13745138 UJWGLSNSJIRXSF-UHFFFAOYSA-N 370.521 2.573 0 50 FFAA CN(C)c1ncc2c(n1)CCC[C@H]2NCc1nc(-c2ccccc2)no1 15073442 UPNWPPDKKWPRKC-OAHLLOKOSA-N 350.426 2.760 0 50 FFAA C[C@]1(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)CC12CCNCC2 1857683872 PFCCGJOWKGFALI-OAQYLSRUSA-N 364.493 2.784 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cccn4cc(C)nc34)C[C@H]12 1857711487 CJBXAYUHTXIDCF-IKICRFKJSA-N 367.449 2.716 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@]23CC[C@H]1O3 1857726992 HDPJBRYZFSEGTB-GMLUQMLDSA-N 350.466 2.689 0 50 FFAA O=C(c1cc2ccccc2o1)N1C[C@@H]2OC(=O)N(Cc3ccccn3)[C@@H]2C1 213092984 QQDQYMJQIDANOW-QAPCUYQASA-N 363.373 2.673 0 50 FFAA CCc1nc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cs1 107704480 AOQJLVBSIMSQJN-ZBEGNZNMSA-N 356.513 2.520 0 50 FFAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)[C@@H]1CCc2nncn2C1 329179428 NKUPKQOUIKUXPJ-UXLLHSPISA-N 354.454 2.849 0 50 FFAA C[C@H]1CN(C(=O)NCCc2cc3ccccc3[nH]2)CCN1CC(F)(F)F 135844791 WFPZSWJSKMTJEO-ZDUSSCGKSA-N 368.403 2.988 0 50 FFAA O=C(O[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O)c1ccccc1 261507498 JDZYNCFMZCGNOC-SFHVURJKSA-N 353.374 2.824 0 50 FFAA in-vitro Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 262043827 AQGOQHBTPMEURS-GLEZIHRCSA-N 367.808 2.875 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)c1 858083 PXIYXXZJBLYXSB-FUHWJXTLSA-N 354.406 2.876 0 50 FFAA COc1ccc(-c2nc(=N[C@H]3CCN(CC4CCCC4)C3)o[nH]2)cc1OC 2325737356 NAHGVUMNYZGCQS-INIZCTEOSA-N 372.469 2.852 0 50 FFAA CN(C)c1nc2ccc(NC(=O)NC[C@H]3NCCc4ccccc43)cc2o1 2325752350 BKLFPDWNYGIHQR-QGZVFWFLSA-N 365.437 2.902 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)[C@H](F)C3CCCCC3)C2)n[nH]1 2325842960 NWDJUKKIRHGHEG-WMLDXEAASA-N 364.465 2.782 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC[S@@](=N)(=O)c3ccccc32)c1 2325888943 ULAAUCXDNMDOQQ-RUZDIDTESA-N 355.419 2.877 0 50 FFAA C[C@@H](NC(=O)[C@H](N)Cc1cc2ccccc2o1)c1ccc2c(c1)OCO2 884064297 CEIUSJWKUGBTBD-MLGOLLRUSA-N 352.390 2.909 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3C(=O)c3cccnc3O)C2=O)cc1 2356135334 ZOVZPJWFNAQFDP-OAQYLSRUSA-N 365.433 2.897 0 50 FFAA COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 2703606 MASRBWPLEUDFCS-GOSISDBHSA-N 365.385 2.993 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccccc2F)CC1 2823760 OZAKVZSSXIJIFP-HNNXBMFYSA-N 358.413 2.950 0 50 FFAA CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 2868767 KAOISRIQXFRCEG-UHFFFAOYSA-N 350.484 2.733 0 50 FFAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 55182920 YTOHCEGGISMTEN-LBPRGKRZSA-N 355.316 2.893 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 100623580 GVJISLXLOXRZHU-CHPZLBCBSA-N 366.339 2.675 0 50 FFAA CCOc1ccnc(N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)n1 112559681 ZUNLQQKWWLJOEV-UHFFFAOYSA-N 365.437 2.627 0 50 FFAA CCSCCN(C(=O)c1c[nH]c2cc(C)nn2c1=O)C1CCCCC1 102832411 LKPBOMOZIACRBV-UHFFFAOYSA-N 362.499 2.859 0 50 FFAA CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccccc1)S(C)(=O)=O 103477312 PZXWZCRCBXEUJH-DIECFANBSA-N 350.484 2.536 0 50 FFAA CC(=O)N(C[C@@H]1CCCN1C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC1 252482953 DRBMWJGUDAXDQG-NQIIRXRSSA-N 369.509 2.624 0 50 FFAA C[C@H]1CCCN1c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 67834084 YRDXVVUFQVYDOH-INIZCTEOSA-N 353.470 2.819 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](Nc2ncnc3c2cnn3C(C)(C)C)CCO1 328618734 DZRLNTUGEBQDHR-DOMZBBRYSA-N 355.446 2.647 0 50 FFAA Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 11934626 DXIATCQSOXBJSM-GOSISDBHSA-N 369.509 2.825 0 50 FFAA Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)no1 11996674 YVPGYTSKHQOQAL-HXUWFJFHSA-N 371.412 2.777 0 50 FFAA CCN1C(=O)C[C@H](C(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)[C@H]1c1cccnc1 333044446 FPPHWRBZADPXTE-LEPRSZISSA-N 365.477 2.662 0 50 FFAA O=C(c1ccccc1-n1cccc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 653559 PVUOEFLVWMUVOP-MRXNPFEDSA-N 355.291 2.898 0 50 FFAA COc1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1OC 1445909 PLVHCXSCSXDUAH-UHFFFAOYSA-N 367.405 2.807 0 50 FFAA C[C@@H](NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@H]1CCCO1 2778255 LEUGHDDERXVQFI-YMTOWFKASA-N 350.369 2.842 0 50 FFAA O=C(Cn1nc2ccccc2n1)NC[C@H](c1ccccc1)N1CCCCC1 215887223 DIKPWTLESZNPPK-HXUWFJFHSA-N 363.465 2.775 0 50 FFAA O=C(NCC[C@H]1CCCNC1)c1cnc2c(cnn2Cc2ccccc2)c1 152732965 JJGDOUGXKHMZLD-MRXNPFEDSA-N 363.465 2.599 0 50 FFAA O=C(c1cc2ccccc2s1)N1CC(S(=O)(=O)NC2CCCC2)C1 329714357 SWCAZHLBBQGTIQ-UHFFFAOYSA-N 364.492 2.588 0 50 FFAA CCN1CCC(N(CCc2ccccn2)Cc2cnn3cccnc23)CC1 215553704 KOFRSWOJNMODKX-UHFFFAOYSA-N 364.497 2.653 0 50 FFAA COc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)[C@H](C)C2=O)cc1 77535750 SXFUZIKIALXABC-CQSZACIVSA-N 369.421 2.973 0 50 FFAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 363335868 XBKQFAKZOVYYRW-ZWKOTPCHSA-N 374.416 2.807 0 50 FFAA CC(C)CC(=O)N[C@@H](C(=O)N1CCC[C@H](N2CCCC2)C1)c1ccccc1 332414923 TVABTGSGTLTJGJ-PZJWPPBQSA-N 371.525 2.977 0 50 FFAA Cc1cc(C(=O)N[C@H](C)c2nc(CC(C)C)no2)c2c(C)nn(C)c2n1 216239555 CORGLHWSPXDLOE-GFCCVEGCSA-N 356.430 2.658 0 50 FFAA CCOc1ncccc1NC(=O)C(=O)N1C[C@@H](c2cccs2)C[C@H]1C 371763960 CTYJDWXYYODPFJ-OLZOCXBDSA-N 359.451 2.885 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NC[C@H]2CCC[C@H](O)C2)CC1 174459183 KPULLBDIGSBVKN-RDJZCZTQSA-N 361.486 2.514 0 50 FFAA O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CCC(c2cnc[nH]2)CC1 378069775 CHMLUEXAPZXTCY-UHFFFAOYSA-N 373.844 2.613 0 50 FFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@H]1CCN1CCOCC1 77302866 YXOJJSAYCACVQO-IBGZPJMESA-N 368.481 2.794 0 50 FFAA CC(C)[C@@H]1CN(C(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 71681148 FTCWIQMQAIQQKI-IBGZPJMESA-N 363.477 2.810 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](Cn2ccnc2)C1 77342705 REMFIZXZLMAFCI-MRXNPFEDSA-N 362.437 2.969 0 50 FFAA Cc1cccc(OC2CCN(C(=O)C[C@@H]3CN(C(C)C)CCO3)CC2)c1 77323577 YRNAOJFJDTZSFH-HXUWFJFHSA-N 360.498 2.864 0 50 FFAA O=C(CCc1cccc(F)c1)N[C@@H]1COCC[C@H]1OCc1ccccn1 220655973 DKCYNTLNVRHBRJ-RTBURBONSA-N 358.413 2.644 0 50 FFAA O=C(CCc1ncc[nH]1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 288392503 MFXYVRLLLMQWJC-OALUTQOASA-N 352.482 2.855 0 50 FFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)NCCOc1ccccc1 426434619 YQHYXZSXBDZIQB-LJQANCHMSA-N 353.466 2.764 0 50 FFAA O=C(NC[C@H](O)COCc1ccccc1)c1cc(-c2ccccc2)on1 82121303 SPCGJBMAERNOCZ-KRWDZBQOSA-N 352.390 2.649 0 50 FFAA O=C1OCCCN1CCNC(=O)N1CCn2cccc2[C@H]1c1cccs1 426435064 WYPWLFCPZQQGBB-INIZCTEOSA-N 374.466 2.507 0 50 FFAA CCCCSCc1cc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)oc1C 82138978 CGRNGDPDHXEYOF-GOSISDBHSA-N 364.467 2.500 0 50 FFAA CC[C@@H](CO)N1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 181722893 VAFDREWSIXDWDT-ZDUSSCGKSA-N 367.465 2.977 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H](C)C2=O)cc1 82097962 YPLATYLMQLMOGP-INIZCTEOSA-N 368.481 2.725 0 50 FFAA Cc1c[nH]c(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c(C)c1=O 91625848 LHCZTZHCJVTWMX-DOTOQJQBSA-N 358.511 2.545 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1oc3ccc(C)cc3c1C)C2 97805626 MRPHUBXSVZBRPE-JKSUJKDBSA-N 370.449 2.759 0 50 FFAA COc1cccc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 95512969 WHGYJPYPNVVZHM-PMPSAXMXSA-N 357.454 2.868 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)C1 91536880 QYGDAIPKGSDXPA-GOSISDBHSA-N 367.493 2.813 0 50 FFAA O=C(NCCc1cn2ccsc2n1)[C@@H]1CCCN(Cc2ccco2)C1 95390779 RILHZUKYLGQDHM-CQSZACIVSA-N 358.467 2.560 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2cccc([C@@H]3CCCNC3)c2)CC1 95391946 ZGYRNOPXWDMWKR-QGZVFWFLSA-N 359.470 2.504 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)c1 91616718 NTRDAYMYNFFZFJ-QGZVFWFLSA-N 358.482 2.529 0 50 FFAA O=C(NCCn1cccc1)N1CCCN(CCCc2ccccc2)CC1 439403304 NYNBCCMXOWZYQB-UHFFFAOYSA-N 354.498 2.838 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)on1 95392062 QHRRCDWKPSUECB-ZDUSSCGKSA-N 357.439 2.704 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCN(Cc2ccsc2)CC1 95374165 OJOSJKQJTWTWRA-UHFFFAOYSA-N 365.462 2.558 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1ccc(F)cc1)C2 95354737 OPNPSLGCOPEIMU-HNAYVOBHSA-N 358.461 2.758 0 50 FFAA CCOc1ccc(CCCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1 95360395 NUUFLCVAHBVGNW-KRWDZBQOSA-N 361.486 2.528 0 50 FFAA O=C(COc1ccc(F)cc1F)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244678880 ILSNZHAVHXUTSK-QGPMSJSTSA-N 361.388 2.842 0 50 FFAA O=C(NCc1ccccc1N1CCCCC1)N[C@H]1CCCn2ncnc21 183239097 QIUVWAGJMITSCK-INIZCTEOSA-N 354.458 2.603 0 50 FFAA Cc1ccc(-c2noc([C@@H](C)NC(=O)N(C)CCn3ccnc3C)n2)cc1 534647264 NJQUFVGJFMNORG-CQSZACIVSA-N 368.441 2.953 0 50 FFAA Cc1nc[nH]c1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 635454084 BOVOGGSGCPIZBH-UHFFFAOYSA-N 361.833 2.752 0 50 FFAA Cn1ncc2cc(NC(=O)N3CCCC[C@H]3CCN3CCCC3=O)ccc21 299781246 UHHOEMLTWBEHQU-KRWDZBQOSA-N 369.469 2.972 0 50 FFAA CCc1c(C)nn(CCNc2cc([C@H]3CCOC3)nc(COC)n2)c1C 299771542 QKXNYPXIYNMXEW-HNNXBMFYSA-N 359.474 2.615 0 50 FFAA CCN(Cc1ccncc1)C(=O)[C@@H]1CC(Cc2ccc(OC)cc2)=NO1 299759452 RPJRTFAEGPWDTB-IBGZPJMESA-N 353.422 2.826 0 50 FFAA O=C1C[C@H](CNC(=O)C2(N3CCCC3)CCCCC2)CN1C1CCCC1 828248244 TZXCXWSBZHDDSY-QGZVFWFLSA-N 361.530 2.692 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)NC3(C(N)=O)CCCC3)cs2)c1 584903642 ADOQIWVCNIZSER-UHFFFAOYSA-N 358.467 2.716 0 50 FFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)Cn2ncc3ccccc32)C1 670444405 PSXMVFFBEDTHGU-IBGZPJMESA-N 362.477 2.950 0 50 FFAA CC(C)Cc1nc(CN2CCC(c3nnc4n3CCCCC4)CC2)no1 670452074 MPWOUOMFWBYJSA-UHFFFAOYSA-N 358.490 2.966 0 50 FFAA CC(C)n1ccc2c(C(=O)OCC(=O)c3cc(C(N)=O)n(C)c3)cccc21 1875295635 MBSZPZWQHJJBRN-UHFFFAOYSA-N 367.405 2.699 0 50 FFAA O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1Cc2nccn2C1 1875306994 SLVNLCQWERMUMP-AWEZNQCLSA-N 365.462 2.713 0 50 FFAA C[C@H](N=c1[nH]c2c(F)cccc2n1C)C(=O)N1c2ccccc2C[C@H]1C 1875331293 CRHBCNARFBSKDV-OLZOCXBDSA-N 352.413 2.913 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(F)(F)F)cc1 1875380274 KJULXHVZDRYPGL-NEBZKDRISA-N 354.328 2.649 0 50 FFAA COc1ccc2nc(C)nc(N3C[C@@H](O)[C@H](Oc4ccccc4)C3)c2c1 1875360838 KDDXACXNCPWJHI-RTBURBONSA-N 351.406 2.575 0 50 FFAA C[C@@H](CNCc1nc(-c2ccccn2)no1)Cc1ccc2c(c1)OCO2 952982082 ZHNXSHJGQRTSMG-CYBMUJFWSA-N 352.394 2.829 0 50 FFAA CC(C)(CCNC(=O)N1CCC2(CCC2)S(=O)(=O)CC1)C(F)(F)F 886072029 ZMQAGEOFYVBXAC-UHFFFAOYSA-N 370.437 2.718 0 50 FFAA Cc1nscc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275646423 NZZPIQRLSONCLY-AWEZNQCLSA-N 358.467 2.740 0 50 FFAA COc1ccc(CNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c(C(F)(F)F)c1 169975536 XSUWKOVBACYWNS-CHPZLBCBSA-N 369.339 2.853 0 50 FFAA CN(CCc1ccncc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 170682842 NOKQTIMSIVUTQV-HXUWFJFHSA-N 352.482 2.930 0 50 FFAA Cc1cc(C(=O)N[C@@](C)(COc2ccccc2)C(=O)O)nn1C(C)(C)C 170671715 LFUHGTDQDZJZJM-IBGZPJMESA-N 359.426 2.599 0 50 FFAA Cc1c(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)cnn1C(C)C 225486223 WPYPMBQOMGPFTG-OALUTQOASA-N 356.470 2.574 0 50 FFAA Cc1c(C(=O)N2CC[C@@H]3OCc4cnnn4[C@@H]3C2)[nH]c2ccc(Cl)cc12 1076063398 WIOZUQFFRWQUEW-CVEARBPZSA-N 371.828 2.707 0 50 FFAA c1cncc(-c2nc(NCC3(N4CCOCC4)CC3)c3ccccc3n2)c1 764936898 PLVOPYXNIMIWBG-UHFFFAOYSA-N 361.449 2.969 0 50 FFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccn(C(F)F)n1 1506398441 BUSVNXQOFKQASK-UHFFFAOYSA-N 362.340 2.713 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)cc1C 1529173466 WOVHTFYSZZQJIX-RTWAWAEBSA-N 366.461 2.827 0 50 FFAA Cc1ccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3)C2)nn1 215575724 JQZNLDKHOGMEOE-MOPGFXCFSA-N 350.466 2.845 0 50 FFAA CCN(CC)CCNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 5793560 GQFDOZWMSJOQCS-UHFFFAOYSA-N 351.454 2.556 0 50 FFAA Cc1ccc(C(=O)NCc2cccnc2)cc1I 12404413 NFHMCLBEKNNDJD-UHFFFAOYSA-N 352.175 2.925 0 50 FFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C 14542285 GNOKDWNNFGDGLE-MRXNPFEDSA-N 353.507 2.575 0 50 FFAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C)C1=O 14884983 CETAKOHBRYHCNC-KKSFZXQISA-N 372.465 2.503 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1OC 19790141 DUISJTGXDYIOCE-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA O=S(=O)(Cc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 19899293 FWZAPFOIMCLQJP-UHFFFAOYSA-N 364.898 2.988 0 50 FFAA CC(=O)N[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)C1 159300908 XIXFWLWRZOOQGR-CQSZACIVSA-N 360.845 2.575 0 50 FFAA CN1C(=O)N(C)C2(CCN(c3nc4cc(C(C)(C)C)ccc4o3)CC2)C1=O 1857672047 GLJMVXFRJJTFMH-UHFFFAOYSA-N 370.453 2.988 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ncccc3o2)C1)NCC1(O)CCCCC1 1857672276 OFZHFHJCFXSISP-HNNXBMFYSA-N 372.469 2.641 0 50 FFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1n[nH]c3c1CCC3)CC2 1857698788 IEDLKCBRUBPXDM-UHFFFAOYSA-N 361.449 2.540 0 50 FFAA C[C@H]1CN(C(=O)CCc2cc(Cl)no2)CCN1c1ccc(F)cn1 1857713717 FDWYMBSIBQILFR-NSHDSACASA-N 352.797 2.532 0 50 FFAA COCc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)o1 1857718268 QWDROKWRCCEBFU-BEFAXECRSA-N 366.417 2.650 0 50 FFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(CC4CCC4)C[C@]34CC[C@H]2O4)cc1 1857725066 VDQMPQUEKUJPFT-GPQLQYNLSA-N 370.493 2.705 0 50 FFAA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 19881466 GTRIENYMHDKNML-MRXNPFEDSA-N 355.415 2.847 0 50 FFAA Cc1noc(Cc2ccc(NC(=O)N[C@@H]3CCc4c(n[nH]c4C)C3)cc2)n1 2325869524 ROVKYMGQXNGPEN-OAHLLOKOSA-N 366.425 2.679 0 50 FFAA C[C@@]1(NC(=O)c2ccncc2)CCN(C(=O)c2ccc3cccnc3c2)C1 2325871013 YSKYYEFHNSMCSD-OAQYLSRUSA-N 360.417 2.664 0 50 FFAA COC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccc(OC)cc1 677242 WYDDFBYNFJAFSQ-UHFFFAOYSA-N 358.419 2.538 0 50 FFAA Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c(C)c1 861994 XDQWNQIDMQCBQJ-QAPCUYQASA-N 354.406 2.876 0 50 FFAA CCN1C(=O)N[C@@H](c2ccc(SC)cc2)C(C(=O)OCCOC)=C1C 2776420 HCMMPIPQFYCKOB-INIZCTEOSA-N 364.467 2.958 0 50 FFAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccc3c(C)cc(C)nc3c2)CC[C@@H]1O 2356161597 BDRXQEBKMLYZFA-GHTZIAJQSA-N 370.449 2.930 0 50 FFAA COc1ccc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)cc1C(=O)O 2356162778 JVWVVFCSPRERGE-FQEVSTJZSA-N 358.438 2.513 0 50 FFAA O=C(NCC1CC1)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 115335884 VPZFKNSGCMVAQR-AWEZNQCLSA-N 357.429 2.614 0 50 FFAA O=C(CCCc1nc(-c2ccco2)no1)NCCCNc1cccnc1 55308230 LTVRWUXMLTUBBF-UHFFFAOYSA-N 355.398 2.666 0 50 FFAA C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)N2CCCCCC2)CC1 116357862 VRVXQTYRJBLWTB-KRWDZBQOSA-N 365.543 2.922 0 50 FFAA CC(C)C(NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(C)C 24606872 CUUZRQZWOPWCPY-AWEZNQCLSA-N 372.556 2.946 0 50 FFAA COc1cc(NC(=O)CN2CCC[C@H]2c2nc(C(C)C)no2)cc(OC)c1 65525663 RMSDXCPBLOPJMA-INIZCTEOSA-N 374.441 2.986 0 50 FFAA OC[C@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Cc1ccco1 67843183 JFQIQTHSYVJTTD-HNNXBMFYSA-N 364.449 2.645 0 50 FFAA CCN1CCC(N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)CC1 22851584 RVTUOWUVRAFNHI-HXUWFJFHSA-N 374.548 2.896 0 50 FFAA Cc1cnc(NCc2ccccc2N2CCOCC2)nc1-c1ccnn1C 23429527 FMMGUXZOVUMKAO-UHFFFAOYSA-N 364.453 2.634 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1noc(C2CCCC2)n1 67956406 PVZNYBXINJAIRD-CYBMUJFWSA-N 353.426 2.615 0 50 FFAA O=C(Cc1ccccc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 67622908 KIDRAOAMKRDYOI-UHFFFAOYSA-N 374.448 2.507 0 50 FFAA C[C@@H](CN(C)C(=O)c1cc2ccccc2cc1OC(F)F)c1nnn[nH]1 124162281 JFQQITDHXZBMFI-JTQLQIEISA-N 361.352 2.830 0 50 FFAA CN1CCO[C@@H]2CN(C(=O)c3cccc(Oc4ccc(Cl)cc4)n3)C[C@@H]21 152854960 YGBIYWPUCAZMJU-DLBZAZTESA-N 373.840 2.682 0 50 FFAA NC(=O)c1c(NC(=O)c2ccn(C(F)F)n2)sc2c1CCCCC2 2779140 ZKQZUBDLVRFYNJ-UHFFFAOYSA-N 354.382 2.960 0 50 FFAA Cc1ccc([C@]2(C)NC(=O)N(Cc3ncc(Br)s3)C2=O)o1 331500763 CXIDNYVMPVAZMU-ZDUSSCGKSA-N 370.228 2.774 0 50 FFAA O=C(CSCC1CC1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 219186563 FBNXPBYZOURRDS-LJQANCHMSA-N 371.506 2.645 0 50 FFAA CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3cccc(F)c3)nc1)C2 72478823 LINJLHZAXCJUHS-DOTOQJQBSA-N 353.397 2.581 0 50 FFAA OC1CCN(c2ccnc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2)CC1 71746112 XODLJJTXTSKADK-KRWDZBQOSA-N 374.872 2.669 0 50 FFAA Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2ncnc3ccsc23)CC1 126652566 JFWNTGHSDOSEGC-NSHDSACASA-N 371.466 2.748 0 50 FFAA COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCCCCN3C)cn2)c1 72478969 LFWKRLKIZKHWLE-LJQANCHMSA-N 356.470 2.714 0 50 FFAA Cc1ccc(C(=O)C2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)cc1 332506276 BPXIWTXIPJMJSO-GOSISDBHSA-N 365.495 2.789 0 50 FFAA C1CCC(c2nc3c(c(NCCc4noc([C@H]5CCCO5)n4)n2)CNC3)C1 72133090 PHLWUMHEUZHITD-OAHLLOKOSA-N 370.457 2.627 0 50 FFAA C[C@@H](CN(C)c1cc(-c2ccccc2F)nc2ccnn12)N1CCOCC1 72139079 PCTWFXFVDCXCAA-HNNXBMFYSA-N 369.444 2.692 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C(=O)c2ccccc2)C1 72475811 PAYTZLGYNTYWOQ-SFHVURJKSA-N 367.497 2.821 0 50 FFAA CCOc1ccc(OC[C@H](O)CN2CCC(=O)Nc3cc(F)ccc32)cc1 175085863 AMPKPROKOVPYHD-OAHLLOKOSA-N 374.412 2.813 0 50 FFAA O=C(CCn1nnc2ccccc21)N1CCCN(Cc2cccs2)CC1 77440294 NHDSYZNAIJXDIY-UHFFFAOYSA-N 369.494 2.617 0 50 FFAA COc1ccc(-c2ccc(C(=O)NC[C@H]3CCN(CC(C)C)C3)cn2)cn1 71747183 MCTVTJXUABWCAC-MRXNPFEDSA-N 368.481 2.860 0 50 FFAA COC(=O)c1ccc(N2CCN(C(=O)CCc3ccsc3)CC2)cc1 77489155 UAQAYVUWHXNOEE-UHFFFAOYSA-N 358.463 2.816 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)[C@@H](C)c3cc4ccccc4o3)CCO2)c1 176367522 XEANSOBRDUSBOW-DOTOQJQBSA-N 353.422 2.969 0 50 FFAA CC(=O)N1CCCn2nc(CNC(=O)Nc3cccc(Cl)c3)cc2C1 82106555 AMHVMLHUVGJNEF-UHFFFAOYSA-N 361.833 2.610 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N(Cc1ccccn1)C[C@@H]1CCCO1 223317173 LNRJYUQEJRAFOO-KRWDZBQOSA-N 372.494 2.629 0 50 FFAA CSc1ncccc1C(=O)N[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 223383997 BFZGBZOBSXHRHA-LBPRGKRZSA-N 361.854 2.992 0 50 FFAA CC(C)N1CCC(CNC(=O)N2CCC[C@H](OCc3ccccn3)C2)CC1 426533891 XBBIIENYYXKBRZ-FQEVSTJZSA-N 374.529 2.893 0 50 FFAA CC(C)Cc1cn(C[C@H]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 48482662 GKQBEGSYQJZZQO-AWEZNQCLSA-N 356.474 2.630 0 50 FFAA O=C(O)c1cc2c(nc1N1CC[C@]3(CCCN(CC4CC4)C3)C1)CCC2 426428764 KIJIMCXABPWNJK-NRFANRHFSA-N 355.482 2.971 0 50 FFAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2cc(N)nc(SC)n2)c1 426399279 UELRAOQVXLEVIR-AWEZNQCLSA-N 358.467 2.699 0 50 FFAA O=C(NCCc1nc(-c2ccccc2)cs1)N1[C@H]2CC[C@@H]1CCNC2 426506544 DXQMVNBCAQTIPH-CVEARBPZSA-N 356.495 2.889 0 50 FFAA O=C(O)c1ccc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 91707607 IZKUEIPJTLAEED-UHFFFAOYSA-N 356.466 2.999 0 50 FFAA CCOc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1CO 91943683 TUGYOMNWXRYLRL-RBUKOAKNSA-N 355.434 2.878 0 50 FFAA CCc1nc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)no1 92077863 VSCPOEAOWXERIA-IBGZPJMESA-N 357.410 2.732 0 50 FFAA CN1CC[C@H](NC(=O)c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)C1 426489348 JYNPNFNVYQUYLA-FQEVSTJZSA-N 365.477 2.624 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CNC(=O)C[C@H]2CCc3ccccc32)cc1 91594912 WKJKKDNIWQWENQ-QGZVFWFLSA-N 372.490 2.673 0 50 FFAA COCCN1CCN(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1 426399336 CVGHAEXQYDWEFP-UHFFFAOYSA-N 360.285 2.775 0 50 FFAA CCc1ccc(CN(C)C(=O)c2cnc(-c3ccc(C)cc3)[nH]c2=O)nc1 91587446 CBPOFQBVKWNILN-UHFFFAOYSA-N 362.433 2.975 0 50 FFAA CCCc1cc(N2CCC(N[C@@H](C)c3ncnn3CC)CC2)nc(C)n1 96139137 PDQKOILWSMONCL-AWEZNQCLSA-N 357.506 2.669 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@@H]1CC(=O)N(Cc2ccccn2)C1 95521297 DKERZAFIDISMOL-CQSZACIVSA-N 369.490 2.687 0 50 FFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1csc(CN(C)C)n1)C2 91474218 DIBVZHUQBBQTAI-HZPDHXFCSA-N 362.543 2.707 0 50 FFAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)Cc1cccnc1)CC2 95367431 GRWRZRBKIPMHLN-IBGZPJMESA-N 363.461 2.631 0 50 FFAA COc1cc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)ccn1 96162974 UVPKXSCMLUVZQM-UHFFFAOYSA-N 370.359 2.957 0 50 FFAA O=C(CCCn1ccnc1)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91906675 PLACVLLEOGACDV-OAQYLSRUSA-N 372.513 2.837 0 50 FFAA CSc1cccc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c1 95386396 ALLIEZXCALBQQT-GOSISDBHSA-N 357.479 2.747 0 50 FFAA CN(C)c1ccc(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 97711690 ZXPZSLSIRNCILZ-IBGZPJMESA-N 352.482 2.757 0 50 FFAA CN(Cc1nc2ccccc2n1C)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91416772 MMCSSGVOHQQAGS-UHFFFAOYSA-N 361.405 2.941 0 50 FFAA CNC(=O)[C@H]1CC[C@@](C)(C(=O)NCc2cc(-c3ccccn3)no2)C1(C)C 244898970 ZESRBDNITBCWTF-VLIAUNLRSA-N 370.453 2.541 0 50 FFAA CNC(=O)c1cccc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1 183239610 ZJIRFMHKJONYOG-KRWDZBQOSA-N 357.385 2.871 0 50 FFAA CSCC1CCN(c2cc([C@H]3C[C@@H](N)C3)nc(N3CCCC3)n2)CC1 244633140 FXKTVGKZVNDBGY-IYBDPMFKSA-N 361.559 2.861 0 50 FFAA CN(Cc1nccs1)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1 534654501 GDFLGJZKRVQLEP-HNNXBMFYSA-N 358.467 2.589 0 50 FFAA CN1C[C@@H](CN(C)C(=O)c2cccc(-c3cnc(N)c(Cl)c3)c2)CC1=O 534635242 CEBGKDVAAXSQND-LBPRGKRZSA-N 372.856 2.535 0 50 FFAA CC(C)[C@H](NC(=O)CC1CCN(Cc2ccccc2)CC1)c1ncnn1C 299778806 OJXYBTMGCURVHE-FQEVSTJZSA-N 369.513 2.931 0 50 FFAA COc1cc(Cl)c(C)cc1NC(=O)NCC[C@@H](C)N1CCN(C)CC1 299787124 OYIXIQFWVMUZCY-CQSZACIVSA-N 368.909 2.805 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 299785422 ZGNIMRBEEDQMFZ-KRWDZBQOSA-N 372.425 2.900 0 50 FFAA Nc1cc(C(=O)NC2CCCC2)cc(S(=O)(=O)Nc2ccccc2)c1 299768595 YIGMKRRKNMTNAZ-UHFFFAOYSA-N 359.451 2.742 0 50 FFAA CN(C)C[C@H]1COCCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)C1 299802073 ZURBFBMEARZISV-MRXNPFEDSA-N 354.450 2.709 0 50 FFAA CCC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1C)c1nccn1C 299776855 DPSUJAUNTOEONZ-MRXNPFEDSA-N 350.426 2.852 0 50 FFAA CCc1csc(CNS(=O)(=O)c2cc(-c3ccno3)cs2)n1 823543378 ZREAPQXEOZIXHB-UHFFFAOYSA-N 355.466 2.901 0 50 FFAA CS(=O)(=O)c1ccc2c(c1)N(CN1CCC3(CCCC3)C1=O)CCC2 872576445 OENSGLUPYAPVCV-UHFFFAOYSA-N 362.495 2.593 0 50 FFAA CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@H](CNCC(=O)O)C1 1875264327 SJUKOBGLMZGOMR-JKSUJKDBSA-N 361.486 2.523 0 50 FFAA Cc1nc2ccccc2n1C1CCN(C(=O)[C@H]2CCc3ccnn3C2)CC1 1875293509 SOUBAPCSUYMITR-INIZCTEOSA-N 363.465 2.967 0 50 FFAA Cc1cccc([C@H](CC(=O)N2CC[C@@H](c3cccc(O)c3)C2)NC(N)=O)c1 1875267950 OYRPGNLLFPKCBY-MJGOQNOKSA-N 367.449 2.816 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c1C 1875314852 WKHSWTLVOUYSOX-OCCSQVGLSA-N 372.469 2.735 0 50 FFAA COc1ccc(-c2nnc(N3CC[C@H](OCc4cccnc4)C3)o2)cc1 1875307487 NLWHGQKSDBTNAD-KRWDZBQOSA-N 352.394 2.936 0 50 FFAA COc1ccc(CN2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)cc1OC 886091327 TVTDWUIAGFMNJO-IBGZPJMESA-N 371.481 2.814 0 50 FFAA Cc1ccc2cc(CN3CCC[C@@](O)(Cc4nc(C)no4)C3)ccc2n1 888076304 WDLPYFCKXGSPEJ-HXUWFJFHSA-N 352.438 2.804 0 50 FFAA O=C(c1ccnc(-c2ccccc2)n1)N1CCC(O)(Cc2ccncc2)CC1 1335906251 LGRXICFQKQBGSM-UHFFFAOYSA-N 374.444 2.748 0 50 FFAA CCOc1ccc(CN2CC[C@H](Nc3ncccn3)[C@@H](O)C2)cc1Cl 1565507196 IODLTJRCLLUIHA-HOTGVXAUSA-N 362.861 2.576 0 50 FFAA Cn1ccnc1CN(Cc1cnn(C(C)(C)C)c1)[C@H]1CC12CCNCC2 275584477 GZNFGNMTIPXOTI-KRWDZBQOSA-N 356.518 2.516 0 50 FFAA CCOC(=O)C[C@@H](NC(=O)[C@H]1CSCCS1)c1ccc(F)cc1 170594627 JSRHJZDMRDJWML-ZIAGYGMSSA-N 357.472 2.785 0 50 FFAA O=C(c1ccccc1CCc1ccccc1)N1CCc2nc[nH]c(=O)c2C1 170686009 ZDAWQQDBWBOIFR-UHFFFAOYSA-N 359.429 2.754 0 50 FFAA Cc1cccc2oc(CCNC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)nc12 225426510 URVWFCUZXLNKDT-CQSZACIVSA-N 355.438 2.586 0 50 FFAA COc1ccc(C2(CNC(=O)c3cncnc3N)CCCCC2)cc1OC 192351182 KCPPLTZIFWDJMB-UHFFFAOYSA-N 370.453 2.708 0 50 FFAA COCCN1CC[C@H](C(=O)Nc2ccc(-c3cccc(F)c3F)cn2)C1 1506420959 CLAWBBPKBNDJOE-AWEZNQCLSA-N 361.392 2.934 0 50 FFAA O=C(O)c1cnc(N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)cn1 1529187001 NUHVPSSQRUGHPW-XAUMDUMWSA-N 353.422 2.832 0 50 FFAA CO[C@H]1CN(Cc2cc3ccccc3n(C)c2=O)C[C@H]1Cc1cc(C)no1 1529144277 VXYMHLOPWJSSNM-UZLBHIALSA-N 367.449 2.524 0 50 FFAA c1cncc(-c2nnc(CN3CCCN(Cc4cccs4)CC3)o2)c1 1529113458 ZQFHBFUORCTFSB-UHFFFAOYSA-N 355.467 2.901 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1800412161 VNLKYKLBOLLFEF-IBGZPJMESA-N 367.478 2.992 0 50 FFAA Cc1cc(Cl)ccc1NC(=O)N1C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C1 216951431 FQGPTFHCNGVRQR-HIFRSBDPSA-N 373.906 2.686 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@@H]4CC[C@H]3CN(C)C4)c2)n1 220184709 OPJSZDLGISPVLD-QUCCMNQESA-N 352.482 2.714 0 50 FFAA CCn1nc(C)cc1C(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615737302 RORJEGUHUMJGST-LPHOPBHVSA-N 364.449 2.747 0 50 FFAA CCCc1ccc(CN2CCCN(C(=O)c3ccc(OC)nc3)CC2)o1 1772701456 OQNPGNXLCZJLMX-UHFFFAOYSA-N 357.454 2.984 0 50 FFAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1c(F)cccc1F 11697785 QKLNGEMSICYDBX-UHFFFAOYSA-N 370.363 2.735 0 50 FFAA COC[C@H]1CCCN(C(=O)[C@H]2CC(Cc3ccccc3Cl)=NO2)C1 12055703 KORLKELESKQOPA-SUMWQHHRSA-N 350.846 2.912 0 50 FFAA O=C(c1cnccn1)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2)C1 15064465 UPXXHYUECJBZFP-HXUWFJFHSA-N 372.419 2.883 0 50 FFAA CN(C)C[C@H]1[C@H]2CN(Cc3c[nH]nc3-c3ccccc3)C[C@]23CC[C@H]1O3 1857719395 LQMXWVFQDOIACQ-QEUVDIPISA-N 352.482 2.618 0 50 FFAA O[C@H]1CN(Cc2cnc3ccccn23)C[C@H]1Cc1ccnc2ccccc12 1857732825 IRVHFOJTLPLVGN-UTKZUKDTSA-N 358.445 2.918 0 50 FFAA Cc1ccc(N2CCCN(C(=O)C3(c4ccccc4C)CC3)CC2)nn1 109635851 NNXUGWICIVPMQQ-UHFFFAOYSA-N 350.466 2.864 0 50 FFAA C[C@H](CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1)c1ccccc1 119456930 HALJYALYHSRSSJ-APWZRJJASA-N 372.490 2.791 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cccc(O)n2)C1 332377507 WHCYPDVVXNZHHO-JTQLQIEISA-N 354.332 2.559 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-c2ncon2)cc1 157042104 MLQLQHVNYLGKAJ-QGZVFWFLSA-N 368.437 2.648 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)CC2)n1 378302401 XSYYHCDIFMRYBD-GJZGRUSLSA-N 350.463 2.861 0 50 FFAA C=CC(=O)N(CC)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 823044145 OEPJSNWDBJISHU-UHFFFAOYSA-N 357.454 2.676 0 50 FFAA CCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C 626303 QOLLBMWLCKRMQD-UHFFFAOYSA-N 364.858 2.779 0 50 FFAA Cc1cc(C)n2nc(SCC(=O)NCc3ccc(Cl)cc3)nc2n1 1078022 WVTJZRXCAWWFAD-UHFFFAOYSA-N 361.858 2.803 0 50 FFAA COc1cc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc(OC)c1O 4387106 ASJYIOQVWZECBV-LBPRGKRZSA-N 367.357 2.692 0 50 FFAA Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](C)c1cccc(C(F)(F)F)c1 2325739133 OVVZAQJWPFMJCD-NSHDSACASA-N 368.355 2.801 0 50 FFAA CN1C(=O)CCCc2occ(C(=O)Nc3ncn(C4CCCCC4)n3)c21 2325779854 KTJMMDZNVOGCER-UHFFFAOYSA-N 357.414 2.928 0 50 FFAA Cc1nc2ccccn2c1CC(=O)NC[C@H](C)N1CCc2ccccc2C1 2325823373 QCJSHXNEOPTBSR-INIZCTEOSA-N 362.477 2.748 0 50 FFAA OC[C@H](Nc1nc(C(F)(F)F)ns1)[C@H](O)c1ccc(Cl)cc1 882648521 CLIQEFOFIAAQKX-DTWKUNHWSA-N 353.753 2.717 0 50 FFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 937861 FTHIOYWJTGNMKG-UHFFFAOYSA-N 357.362 2.702 0 50 FFAA O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(I)cc1 947638 WMMCLUFYOCLDJZ-UHFFFAOYSA-N 367.957 2.854 0 50 FFAA CCOC(=O)c1c(NC(=S)N2CCOCC2)sc2c1CCCC2 1036123 CHQBGJZYXFWQDO-UHFFFAOYSA-N 354.497 2.833 0 50 FFAA Cc1ccc(C(=O)NC(=S)N[C@H](C)C(=O)OCc2ccccc2)cc1 2532365 WFYPRFIRMPZZTI-CQSZACIVSA-N 356.447 2.731 0 50 FFAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2Cl)C3)nn1C 2356147024 FAJWBIHMKAXORV-LBPRGKRZSA-N 370.844 2.744 0 50 FFAA CC(C)c1ocnc1C(=O)N1CCC[C@]2(CCc3cnc(N(C)C)nc32)C1 2356158477 LWOHPEXHKLHFOO-FQEVSTJZSA-N 369.469 2.774 0 50 FFAA O=C(CCC(=O)c1ccccc1)OCC(=O)c1ccc2c(c1)OCCO2 4776132 WPDOLSKTBUOKBV-UHFFFAOYSA-N 354.358 2.847 0 50 FFAA COCOc1cc(C(=O)OC)ccc1-c1ncc(Br)cn1 1857529941 JGTBBAIWNQRJNJ-UHFFFAOYSA-N 353.172 2.675 0 50 FFAA O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 55153590 CGUCLBICDOCNHX-ZBFHGGJFSA-N 364.424 2.997 0 50 FFAA O=c1[nH]c(=O)n(C[C@H]2CCCO2)c2nccc(-c3ccccc3Cl)c12 10157283 GXMYBVSOYHCKDZ-LLVKDONJSA-N 357.797 2.584 0 50 FFAA CC[C@H](C(=O)N1CCC[C@H](C)C1)N(c1cccc(C)c1)S(C)(=O)=O 67623079 LXNQXDUFOVVOJJ-DOTOQJQBSA-N 352.500 2.798 0 50 FFAA CN(C)Cc1ccccc1CN(C)c1nc(N)nc2ccc(C(=O)O)cc12 65499131 KWUKARLLKMJYAD-UHFFFAOYSA-N 365.437 2.608 0 50 FFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)C[C@@H](C)O1 229659883 DMMQYKRXTUVYJS-IJEWVQPXSA-N 361.442 2.521 0 50 FFAA Cc1nc2ccccc2nc1CN1CC[C@@H](N2CCCCCC2)[C@H](O)C1 12756249 AZWYDNIJRXRDFF-NHCUHLMSSA-N 354.498 2.749 0 50 FFAA CC[C@H](C(=O)NC1CCCCC1)N(C)Cc1nc(-c2ccccn2)no1 65489843 QIOVGARYURATKV-MRXNPFEDSA-N 357.458 2.791 0 50 FFAA CCCN(C(=O)c1cn2cc(-c3cc(C)oc3C)n(C)c(=O)c2n1)C1CC1 72423321 DSIYWUDKKFHTST-UHFFFAOYSA-N 368.437 2.924 0 50 FFAA CC(=O)Nc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)cc1 20110043 XEVUAKVFIQYVFI-UHFFFAOYSA-N 355.442 2.637 0 50 FFAA Cc1cc(-n2cccn2)ccc1NC(=O)N[C@H]1CCN(c2ccccn2)C1 252508257 XIJIXDISBZMOAP-INIZCTEOSA-N 362.437 2.976 0 50 FFAA Cc1nc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)nc(O)c1C 332179359 VBAYWDWDYVMJBK-UHFFFAOYSA-N 372.450 2.655 0 50 FFAA CNC(=O)c1ccn([C@H]2CCCN(C[C@@H]3CCc4ccccc4C3)C2)n1 328653185 WUHFSHNHTQSQMI-APWZRJJASA-N 352.482 2.685 0 50 FFAA Cc1csc([C@@H]2COCCN2C(=O)c2coc(C3CCOCC3)n2)n1 328666796 CTJLAQUFXUXFHS-AWEZNQCLSA-N 363.439 2.547 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)CC1 39421460 KSWKYSMIJXCYQG-OAQYLSRUSA-N 363.521 2.567 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)Cc3ccc(CO)cc3)C2)cc1 72478695 AFNAZTNNDWMWNK-GOSISDBHSA-N 353.418 2.511 0 50 FFAA CC(C)n1nccc1[C@@H]1OCCC[C@H]1c1nc(Cc2cncn2C)no1 329624419 UYTQJDCHYMCZJF-RHSMWYFYSA-N 356.430 2.807 0 50 FFAA Cc1cc(C)n(-c2ccc(N3CC[C@H](n4cnc5c4CCCC5)C3)nn2)n1 330305929 RBFSLSDHZLJWOF-INIZCTEOSA-N 363.469 2.806 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3nc4ccccc4nc3C)CC2)c1 77454245 DFZFLGFPPRPXOF-UHFFFAOYSA-N 365.437 2.519 0 50 FFAA CO[C@@]1(C)CCCN(C(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)C1 439988552 NQPLZGWFIUUSNG-KRWDZBQOSA-N 366.849 2.902 0 50 FFAA O=C1CC2(CCN([C@@H]3CCCNC3)CC2)CN1Cc1ccc(Cl)cc1 77341647 AIJOCWSGKJKALT-GOSISDBHSA-N 361.917 2.907 0 50 FFAA CCc1ccc(CN2CCN([C@H](C)C(=O)Nc3nccs3)CC2)s1 156773933 MUDBSNNHBWRKFJ-CYBMUJFWSA-N 364.540 2.912 0 50 FFAA O=C(c1ccn(C(F)F)n1)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 218987489 BNEXQZXUNKJGDV-GFCCVEGCSA-N 374.351 2.743 0 50 FFAA CC(C)n1ncc2c(C(=O)NC3CCNCC3)cc(-c3ccco3)nc21 262180850 QSCCSRJUHAYISQ-UHFFFAOYSA-N 353.426 2.754 0 50 FFAA CC(C)Oc1cccc2c1c(NC(=O)CN(C)Cc1cccnc1)nn2C 72447323 AXCGMWBGRJAAJV-UHFFFAOYSA-N 367.453 2.826 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72411697 PNCIDDOWFKMBQC-HNNXBMFYSA-N 350.422 2.521 0 50 FFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 452976946 OXUVUZOQIPAWKH-KXBFYZLASA-N 357.360 2.642 0 50 FFAA O=C(N[C@H]1CCCCN(C(=O)C2CC2)C1)c1c[nH]nc1C1CCCCC1 82107184 KYZWUHBAVMLIOL-INIZCTEOSA-N 358.486 2.978 0 50 FFAA O=C(NCc1cc(-c2cccnc2)no1)N1CCCN(C2CCCC2)CC1 426584611 DPQVRHCUCXEMTQ-UHFFFAOYSA-N 369.469 2.897 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)NCc1cc(-c2ccccn2)no1 426406029 DAWFDVHSLRNBAG-UHFFFAOYSA-N 368.441 2.851 0 50 FFAA COc1ccc2c(C)cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc2c1 82157750 CMUZSKIISAUCRV-KRWDZBQOSA-N 355.438 2.585 0 50 FFAA CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 426489606 JHNRIOQEVDNWIP-IBGZPJMESA-N 367.449 2.879 0 50 FFAA Cc1ccc2nsnc2c1NC(=O)N1CCN(Cc2ccco2)CC1 426386841 CHNFVJBSUDLQIT-UHFFFAOYSA-N 357.439 2.942 0 50 FFAA O=C1CCCCN1CC(=O)N(CCc1ccc(F)cc1)Cc1cccnc1 97813763 QRTIVAQBXKFGHC-UHFFFAOYSA-N 369.440 2.805 0 50 FFAA Cc1cnc(-c2nc(COc3ccccc3)nn2C2CCN(C)CC2)cn1 95527795 JVUAUIZPKWYLRM-UHFFFAOYSA-N 364.453 2.889 0 50 FFAA CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 91943080 ZBOCMLBUIOBEMR-UHFFFAOYSA-N 362.424 2.743 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@H](c3cccc(F)c3)N(C)C)CC2)ccn1 95357661 RLTHHTXZUMZUOY-FQEVSTJZSA-N 370.472 2.871 0 50 FFAA Cc1cccc([C@@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c1F 95503446 YCQXYFMYRAYYEK-IBGZPJMESA-N 357.429 2.863 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(C)c1)CC2 91304838 VBANVALLELYUPL-UHFFFAOYSA-N 366.465 2.644 0 50 FFAA Cc1cc(OC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)ccc1Cl 239046973 GAQNXHHQPKBXGR-MCKLEBTQSA-N 371.820 2.607 0 50 FFAA CCn1nc(C)c(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1C 91818433 RESDIYVOAYXGHA-UHFFFAOYSA-N 374.529 2.607 0 50 FFAA O=C([C@@H](O)Cc1ccccc1)N1CCC(c2nccn2CC2CC2)CC1 95511974 BUSFWKZFJQXHRI-IBGZPJMESA-N 353.466 2.603 0 50 FFAA Cc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 92065637 UQJKZPDTSWNWIK-HZPDHXFCSA-N 350.890 2.815 0 50 FFAA CCOCCOc1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 244858572 VNPNQTVODDVQTP-SFHVURJKSA-N 369.417 2.754 0 50 FFAA c1ccc(-c2nnc3n2CCN(Cc2noc(-c4ccco4)n2)CC3)cc1 252481467 CMOUVZCXGRWWKL-UHFFFAOYSA-N 362.393 2.646 0 50 FFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1ccc2cc[nH]c2c1 252527818 DLDJPDZISWQRFD-QGZVFWFLSA-N 362.389 2.822 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cnc4cc(C)nn4c3C)CCO2)c1 268989096 FTLLSLBSWFSWQJ-SFHVURJKSA-N 366.421 2.568 0 50 FFAA COC(=O)c1cn(CCn2ccc3c(Cl)cccc32)cc2c(=O)[nH]nc1-2 263588213 QKYKGIWHPPJHJZ-UHFFFAOYSA-N 370.796 2.771 0 50 FFAA CCOc1c(CNC(=O)N(CC)[C@@H]2CCCC[C@H]2O)cccc1OC 534589098 VNPJAIQFGWJDEX-HZPDHXFCSA-N 350.459 2.929 0 50 FFAA O=C(Cn1ccc(=O)c2ccccc21)NCCN1CCCc2ccccc21 620715997 DOZPTPBOQNUHCM-UHFFFAOYSA-N 361.445 2.571 0 50 FFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2cccc(OC)n2)cc1 299776766 LLQYZJQZXQIAKW-CYBMUJFWSA-N 351.410 2.860 0 50 FFAA Cc1noc(C)c1-c1cccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 299763972 IDFHLONXYMSLPX-ROUUACIJSA-N 355.438 2.551 0 50 FFAA CCc1c(C)nc(C)nc1NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 299769243 NEDZAAKLGOFJSK-UHFFFAOYSA-N 368.485 2.607 0 50 FFAA O=C(CCn1cnc2ccccc21)N1CCC([C@H](O)c2ccccn2)CC1 828599276 FOMORZISROFFEA-NRFANRHFSA-N 364.449 2.794 0 50 FFAA Cc1cccn2c(CC(=O)Nc3cccc(N4C(=O)NC[C@H]4C)c3)cnc12 1875271998 ZLRSIHHQKFKAPO-CQSZACIVSA-N 363.421 2.742 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)CC1 1875365477 CLWRAJVOOZYIGA-HNNXBMFYSA-N 361.511 2.754 0 50 FFAA Cc1nnc(N2CCC3(CC2)CC(NC(=O)[C@@H]2CC[C@@H](C)C2)C3)nc1C 1875405408 FWMATHCUIKPGMN-CZUORRHYSA-N 357.502 2.790 0 50 FFAA O=C(c1ccc(CN2CCCC2)o1)N1CCN(Cc2cccc(O)c2)CC1 952973503 HFWOTGHZFPJJEQ-UHFFFAOYSA-N 369.465 2.539 0 50 FFAA COc1cc(CN[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@@H]3C(C)C)ccc1Cl 888097421 ISDFOHVYTFBFOX-PSBWJHGTSA-N 352.906 2.918 0 50 FFAA CCC1(N2CCOCC2)CCN(C(=O)Nc2c(F)cccc2OC)CC1 888100284 IUASUCDWRGITTG-UHFFFAOYSA-N 365.449 2.943 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cc(Oc2ccccc2)ccn1 887013384 VRNMXHZQSQFMHH-QZTJIDSGSA-N 354.406 2.534 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3cnc(C(C)C)s3)CCO2)o1 275439901 SGNMPEWHSHLXHI-NSHDSACASA-N 350.444 2.987 0 50 FFAA COc1ccc(CCC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 170601488 IFKJJPQHNGOKOZ-UHFFFAOYSA-N 365.437 2.913 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 280692211 WFGPINGVZGRLPM-KDURUIRLSA-N 352.482 2.550 0 50 FFAA CO[C@H](C)CCC(=O)N[C@H](CC(=O)O)c1ccc(Br)cc1 190686599 GKLFIKVUNWCGCI-ZWNOBZJWSA-N 358.232 2.896 0 50 FFAA COc1ccc(C2(C(=O)NC[C@H](O)c3ccc(F)cc3)CCOCC2)cc1 762306433 UOQQXHYOOFEZGB-IBGZPJMESA-N 373.424 2.732 0 50 FFAA Cn1cncc1CN(CCO)C(=O)c1ccc(-c2ccccc2F)cc1 1704355630 UVZBVRLNMOOYFJ-UHFFFAOYSA-N 353.397 2.861 0 50 FFAA CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)c1 5399485 FZSLJSKSVLFBQU-UHFFFAOYSA-N 365.364 2.891 0 50 FFAA CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2cc[nH]n2)C1 11819083 CGIUYHCZVOBCSF-FQEVSTJZSA-N 357.454 2.806 0 50 FFAA Cc1cccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 11838793 VPUZNJHITGHMPB-GOSISDBHSA-N 369.509 2.590 0 50 FFAA O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)CN2CCCCC2=O)C1 11843305 UDKDYDSQVLHOSW-OAHLLOKOSA-N 362.857 2.774 0 50 FFAA Cc1ccccc1C(=O)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 12200913 MUCNOTGHBFAVQM-KRWDZBQOSA-N 369.509 2.590 0 50 FFAA COc1ccc(-c2n[nH]cc2CNCCSc2nccn2C)c(F)c1 12299826 SHOYQQLHDYFTHR-UHFFFAOYSA-N 361.446 2.840 0 50 FFAA O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc2[nH]ccc2c1 12582536 KETUVKPPPSQVDC-KRWDZBQOSA-N 351.381 2.838 0 50 FFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)CC(C)C)C2 14748290 GGXPHGYTAQTSJI-OAHLLOKOSA-N 364.559 2.537 0 50 FFAA O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCC[C@H]1CO 15070307 NOIHIOZEKZOAQT-NSHDSACASA-N 354.765 2.643 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1 169780453 SVYXNFKHGJAKAF-UHFFFAOYSA-N 368.412 2.801 0 50 FFAA Cc1nc(-c2ccc3nc(CC(C)C)n(CCCN)c3c2)n(C[C@@H](C)O)n1 1857676371 RPRYRKSJTPEWMJ-CQSZACIVSA-N 370.501 2.531 0 50 FFAA Cc1ccnn1CCC(=O)N1CCc2nn(C)c(-c3ccccc3)c2CC1 1857677718 BAJGABAOANXPPI-UHFFFAOYSA-N 363.465 2.610 0 50 FFAA O=C(O)c1cc2c(s1)CCOC21CCN(Cc2nccs2)CC1 1857690933 VNZBTLKUPBQMLX-UHFFFAOYSA-N 350.465 2.967 0 50 FFAA O=C1COc2cc(N[C@H]3CCN(c4ccccc4Cl)C3=O)ccc2N1 111372739 PJFLEHMYJTZRFF-AWEZNQCLSA-N 357.797 2.888 0 50 FFAA CCOc1cc2c(cc1CN1CCC(N(C)CCCO)CC1)O[C@@H](C)C2 115548551 SSRNFIKJTMEYMP-INIZCTEOSA-N 362.514 2.687 0 50 FFAA Cc1ccn2c(CN(C)C[C@@H]3CCCN(C)[C@H]3c3cnn(C)c3)cnc2c1 328632982 LRJHLHGXSQJFOS-LAUBAEHRSA-N 366.513 2.891 0 50 FFAA Cc1ncoc1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 330090455 PIQBOXSTGYOUAC-UHFFFAOYSA-N 373.844 2.632 0 50 FFAA O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(C(=O)O)nc1 238010522 ROWIWJQMXBFJSX-UHFFFAOYSA-N 374.824 2.911 0 50 FFAA COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 266022545 XFEFJPJZICRDFO-GDBMZVCRSA-N 373.902 2.705 0 50 FFAA O=C(NC[C@@H](CC1CC1)C(=O)O)c1c(Br)noc1C1CC1 2325813042 FSLBFFWLPQFHSU-SECBINFHSA-N 357.204 2.545 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cc4sc(C)nc4[nH]3)CCN2)cc1 2325820686 GOHRBDUYRBMPLJ-HNNXBMFYSA-N 356.451 2.728 0 50 FFAA COc1ccccc1[C@H](N)C(=O)N1CCC(c2cn3ccsc3n2)CC1 2325820815 GLJTYFORZKJUNW-KRWDZBQOSA-N 370.478 2.810 0 50 FFAA O=S(=O)(c1ccccc1-c1ccccc1)N1CC[C@@H](c2nc[nH]n2)C1 2325870241 ONUKKBMSVIIAHZ-OAHLLOKOSA-N 354.435 2.650 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@H](O)CC23CCCCCC3)cc1 2325887855 AFCQJTGBYYPRIO-GOSISDBHSA-N 356.466 2.789 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c1 868285341 GESRFNXPPCZMLS-INIZCTEOSA-N 356.344 2.731 0 50 FFAA CC[C@H](CO)N(Cc1ccccc1)C(=O)Nc1cccc2c1OCC(=O)N2 879601084 KJCRNUOPYAPQQU-OAHLLOKOSA-N 369.421 2.823 0 50 FFAA Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)Nc1nc(C2CC2)cs1 887211003 YFLLIIPZYFJETH-MCBXIFIFSA-N 373.482 2.801 0 50 FFAA Cc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 1149792 IRKFYKBLLDJOFF-UHFFFAOYSA-N 360.479 2.694 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)c2ccc3ccccc3n2)C1 2356159450 AWPGHVWHWAFNSD-OAQYLSRUSA-N 359.433 2.558 0 50 FFAA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 4121936 FHIVVPLEYLOECR-HNNXBMFYSA-N 350.440 2.619 0 50 FFAA COc1ccccc1N1CCN(C(=O)[C@H](OC(C)=O)c2ccccc2)CC1 4674129 MZNVCTIXTQHLAZ-HXUWFJFHSA-N 368.433 2.648 0 50 FFAA CC(C)(O)C1CCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)CC1 67641356 RUJUWXFMNPONSI-UHFFFAOYSA-N 361.417 2.751 0 50 FFAA COc1ccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1O 20535980 VJTLSFNLUVMPSS-RTWAWAEBSA-N 368.477 2.570 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(N2CCC(NC[C@H]3CCCO3)CC2)cc1 20536506 WOEOWTNESLYUGG-OXQOHEQNSA-N 357.498 2.939 0 50 FFAA CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O 5761921 SAKGBZWJAIABSY-XYJRQBLTSA-N 352.471 2.819 0 50 FFAA in-vitro Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@@H](c1ccnn1C)C(C)C 252490958 LGHAWRMJYHCUCW-CYBMUJFWSA-N 373.423 2.933 0 50 FFAA O=C(N=c1cc[nH]cc1)c1sc(N2CCOCC2)nc1-c1ccccc1 440679278 GJYPRLLLBYGYKI-UHFFFAOYSA-N 366.446 2.716 0 50 FFAA CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(-n4cccc4)c3)C2)CC1 252549102 QURULSBPCDWADC-HXUWFJFHSA-N 367.497 2.721 0 50 FFAA Cc1cc(N2CCCN(C(=O)c3ccc4sc(N)nc4c3)CC2)ccn1 20295710 ZZPJCYMLJSDLRT-UHFFFAOYSA-N 367.478 2.934 0 50 FFAA CCNc1cc(N2CCN(C(=O)Nc3ccccc3OC)CC2)nc(C)n1 65364531 ISSPCUVVHYXZIX-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA CCc1nc(CN2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c(C)[nH]1 67542016 UYCXROCHYKAZOP-UHFFFAOYSA-N 366.469 2.534 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)on1 72133824 LVENCWWDPFWVAB-QGZVFWFLSA-N 373.428 2.586 0 50 FFAA O=C(CN1CCN(C(=O)c2ccc3ncccc3c2)CC1)Nc1ccccc1 121272206 QMIQZJXNNGWAMP-UHFFFAOYSA-N 374.444 2.631 0 50 FFAA C[C@H](N[C@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N(C)C)c1 173362504 HBSQCBLXAZIOHK-WMLDXEAASA-N 360.479 2.591 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 328648423 UNCHEIJLWSIOBA-MRXNPFEDSA-N 351.410 2.780 0 50 FFAA O=C(C[C@H](NCc1cccnc1)C(=O)O)c1ccc(Br)cc1 4054225 GELPBIQZKAXKIU-AWEZNQCLSA-N 363.211 2.660 0 50 FFAA CN(Cc1ccc(Cl)cn1)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328645643 SEZLAOXPJCGSGE-YOEHRIQHSA-N 351.857 2.513 0 50 FFAA Cn1cnnc1C1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 173889534 BOJRUZNWHIFBMA-LJQANCHMSA-N 367.497 2.576 0 50 FFAA Cc1nn([C@H](C)C(=O)O)c(=O)n1-c1ccc(OCc2ccccc2)cc1 6925413 IUPSRCJRVQLHCV-CYBMUJFWSA-N 353.378 2.567 0 50 FFAA O=C(c1ccnc(-n2cnnc2)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71762676 YTFPKWPQXCOYDY-MRXNPFEDSA-N 369.812 2.529 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cccc(C(F)(F)F)c3)C2)CN1CCO 77406733 DRFHQXYFKXRNEF-SFHVURJKSA-N 370.415 2.902 0 50 FFAA C[C@H]1CCc2ccccc2N1CCC(=O)NCc1cccnc1N(C)C 124190625 BTPFSRMFPASWNY-INIZCTEOSA-N 352.482 2.995 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCCN(CC2CC2)[C@@H](C(C)C)C1 72164086 LYHKCNNDYFNKMA-LJQANCHMSA-N 359.514 2.516 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 238009751 VTVVTUKIAMDFHW-HKUYNNGSSA-N 370.424 2.980 0 50 FFAA CSC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCn4cncc4C1)(C3)C2 72158016 YXZYYLFEDWNODX-BAUKFBFWSA-N 374.510 2.637 0 50 FFAA O=C(NCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 36893029 HLKJPVRFCZCXBB-UHFFFAOYSA-N 373.478 2.576 0 50 FFAA O=C1OC2(CCN(C(=O)c3ccc[nH]3)CC2)CN1CCc1ccccc1 77437636 AXNZVPGPDMJSKA-UHFFFAOYSA-N 353.422 2.684 0 50 FFAA CC(C)c1cc(N2CCC3(CC2)CN[C@@H](C(=O)O)C3)nc(C(F)(F)F)n1 72421056 CAJNFIMQEDKQQX-GFCCVEGCSA-N 372.391 2.652 0 50 FFAA CCCn1c(C)c(C(=O)N(C)Cc2nncn2C)c2cc(OC)ccc21 288451165 SMXUISAYKBLSSL-UHFFFAOYSA-N 355.442 2.769 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CO)C3CCSCC3)cc2)n1 77374954 HVCWXGAJQAPYOJ-SFHVURJKSA-N 359.495 2.723 0 50 FFAA Cc1ccc(NC(=S)c2c(N)nc(N3CCC(C)CC3)[nH]c2=O)cc1 40385541 MIHJRYLRNCVQAE-UHFFFAOYSA-N 357.483 2.684 0 50 FFAA COc1ccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)c(OC)c1 82107761 YDYAAGIXNYHEKK-HNNXBMFYSA-N 368.433 2.890 0 50 FFAA O=C(O)CC[C@@]1(CCC(=O)NCc2ccc3sccc3c2)CCC(=O)N1 222330981 XXLMHOPFOZDULU-LJQANCHMSA-N 374.462 2.811 0 50 FFAA Cc1[nH]c2c(C(=O)N[C@@H](c3cnn(C)c3)C3CC(O)C3)cccc2c1C 222511814 AOYGFSVEOKGSHX-LEHRNKBSSA-N 352.438 2.760 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(N2CCCCC2)ccc1Cl 220122204 OMXBXRJFVALFOB-IAGOWNOFSA-N 352.862 2.864 0 50 FFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 179007318 IRXFVOKJKGXUDZ-HKMNZKMDSA-N 351.450 2.742 0 50 FFAA CC(C)(C)c1nnc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)s1 293477553 URUXUCWZWQNLGX-UHFFFAOYSA-N 358.467 2.995 0 50 FFAA COc1cc(-c2cn([C@@H](Cc3ccc(O)cc3)C(=O)O)nn2)ccc1F 95359410 BAMBFIQQOZDHQJ-INIZCTEOSA-N 357.341 2.667 0 50 FFAA COC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 95529315 RNJSFBPLLYPOJK-IBGZPJMESA-N 373.497 2.636 0 50 FFAA NS(=O)(=O)c1cccc(NCc2ccccc2OCc2cccnc2)c1 182114676 GOPAFOTVGCMHNU-UHFFFAOYSA-N 369.446 2.920 0 50 FFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@]2(CCOC2)C1 95359537 WQIWSBLCAMKQRR-INIZCTEOSA-N 368.480 2.903 0 50 FFAA COc1cccc(Cn2nc(-c3cccnc3)nc2[C@@H](C)n2cncn2)c1 95529475 NSHAUZPOJNKSNI-CQSZACIVSA-N 361.409 2.598 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1csc(C)n1)CC2 91769103 LVJACRBJPUYXTO-UHFFFAOYSA-N 373.526 2.964 0 50 FFAA O=C(NCC1(COc2ccccc2)CC1)[C@H]1CC(=O)N(C2CCCC2)C1 91635992 LGYQKJVJDLCYCO-INIZCTEOSA-N 356.466 2.753 0 50 FFAA Cc1c(F)cccc1CN1CCC(c2nnc(Cn3ccnc3)n2C)CC1 91325406 YYXZYHASNOTXLW-UHFFFAOYSA-N 368.460 2.887 0 50 FFAA Cc1c(Cl)cccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239426037 VQDUNHPSQQLHTQ-UWTIAYHASA-N 370.836 2.640 0 50 FFAA Cc1cc([C@@H]2CCCN2C(=O)Cn2c(C)cc(=O)c3ccccc32)on1 95521420 VMEYZCQXYWGOGC-KRWDZBQOSA-N 351.406 2.970 0 50 FFAA CC[C@H](NC(=O)c1ccc(COC)o1)c1ccc(S(C)(=O)=O)cc1 96165754 QHPRLABYKNQGNI-HNNXBMFYSA-N 351.424 2.711 0 50 FFAA COCCN1CC2(CCC1=O)CCN(c1nnc(C(C)C)s1)CC2 91779953 ZOXNWAJLGPIPNI-UHFFFAOYSA-N 352.504 2.517 0 50 FFAA COc1ccc(-c2ccccc2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239174003 PCBJUYJXNXXCMY-AKHDSKFASA-N 365.385 2.955 0 50 FFAA CCNc1nc(C)c(C(=O)NC[C@@H]2COc3c(cccc3OC)C2)s1 95531478 KDPUBMNRNBAVQT-GFCCVEGCSA-N 361.467 2.873 0 50 FFAA Cc1noc(C)c1[C@H](C(=O)O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 95530159 RGMGNIKWLKXMOF-QGZVFWFLSA-N 358.373 2.874 0 50 FFAA Cc1ncsc1CCN(C)C(=O)[C@@]1(C)CC[C@@H](C(=O)N(C)C)C1(C)C 91574276 AXWLFEUUTSQVTF-IFXJQAMLSA-N 365.543 2.983 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)COc2cccc(C)c2C)C1 95519783 TWRLELQYIBWDEG-GOSISDBHSA-N 371.481 2.931 0 50 FFAA Cc1ccc(F)cc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96180904 SPOCRVAKXLMGEK-OXQOHEQNSA-N 355.365 2.837 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 92036904 JVYJGYBOYGQZSS-QGZVFWFLSA-N 361.461 2.976 0 50 FFAA O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CC=C(c2ccccc2)CC1 91793825 OTKGKFQOVGMLQF-UHFFFAOYSA-N 358.401 2.761 0 50 FFAA Cc1ccc(-c2cc(C(=O)N(C)Cc3nc(-c4ccccn4)no3)[nH]n2)o1 91411508 HBRHFKLFULGBLR-UHFFFAOYSA-N 364.365 2.695 0 50 FFAA Cc1c(NC(=O)CN(C/C=C/c2ccccc2)C[C@H]2CCCO2)cnn1C 252509263 YIQVCPBKXKTMAG-ZAOIQFLMSA-N 368.481 2.861 0 50 FFAA Cc1nc(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc(=O)[nH]1 32590351 AARMZYPFWAFDPY-UHFFFAOYSA-N 354.435 2.708 0 50 FFAA Cc1ccccc1OCCNC(=O)N1CCC([C@H](O)c2ccccn2)CC1 584898151 QAUUCCRYTOQMHF-FQEVSTJZSA-N 369.465 2.924 0 50 FFAA Cn1ccnc1-c1ccccc1C(=O)NC[C@H]1CC(=O)N(C2CCCC2)C1 828248130 OLDNWQMXFANMRA-OAHLLOKOSA-N 366.465 2.608 0 50 FFAA Cc1noc([C@@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)n1 584891889 OYQZSGURRWEIJG-OAHLLOKOSA-N 371.485 2.993 0 50 FFAA CCCN1CC[C@H](NC(=O)N2CCN(c3nsc4ccccc34)CC2)C1 670437070 JLCDFIJDQJPMFK-HNNXBMFYSA-N 373.526 2.612 0 50 FFAA COc1cccc(F)c1C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1 952989583 XOMNGSPVQMUVFC-UHFFFAOYSA-N 359.401 2.895 0 50 FFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cc1 952979540 UHPUHWIQEUTTQV-INIZCTEOSA-N 371.481 2.945 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2OC)cc1OC 952966376 JBTYBUSXDPNSKB-UHFFFAOYSA-N 358.394 2.849 0 50 FFAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2ccccc2OC2CC2)C1 886093954 KWKRNKQQSRAOPR-UHOSZYNNSA-N 358.482 2.942 0 50 FFAA O=C(c1ccc2n[nH]cc2c1)N1C[C@@H](C[C@H]2COCCN2)c2ccccc21 1341258493 KOGLKBKCAXGATQ-SJORKVTESA-N 362.433 2.685 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2nnc(O)c3ccccc23)C[C@@H]1O 1565529614 VWXIWQLYLVKAAO-GJZGRUSLSA-N 369.446 2.696 0 50 FFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222116176 XXJDIIPFFBQJCX-MZDBXJLNSA-N 357.406 2.706 0 50 FFAA O[C@@H](CN1CCN(Cc2nc(-c3ccccc3)co2)CC1)CC(F)(F)F 189197709 XIQSNBSHSSWRKL-OAHLLOKOSA-N 369.387 2.773 0 50 FFAA CCC[C@]1(COC)CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 192760940 GRAJFYFPYPADPH-OAHLLOKOSA-N 357.248 2.559 0 50 FFAA O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCNC(=O)C12CCCC2 1506404775 IWQGJQISIZEJMW-UHFFFAOYSA-N 358.829 2.615 0 50 FFAA CCn1c(NCCCn2ccnc2C(C)C)nc2cc(C(=O)O)cnc21 1506403578 NBHVUMCUWWZWDQ-UHFFFAOYSA-N 356.430 2.972 0 50 FFAA COc1cc(F)ccc1CN1CCC(=O)N(Cc2nccn2C2CC2)CC1 1506406727 OBSXOQXYXQMYQA-UHFFFAOYSA-N 372.444 2.600 0 50 FFAA O=C(c1ccc(F)c(O)c1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704300089 VUGUWFNLHWQRCS-FOIQADDNSA-N 366.392 2.755 0 50 FFAA O[C@H]1CN(Cc2cnc(-c3cccs3)nc2)C[C@@H]1Cc1ccncc1 1615964379 IVRUEEOWHKJHKQ-IRXDYDNUSA-N 352.463 2.636 0 50 FFAA CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(OC)cc2OC)C1 11933023 YZNMQQVBCGOJTP-AWEZNQCLSA-N 373.453 2.869 0 50 FFAA CCc1nccn1CCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 11936083 YDXPYFVRBVRXDE-QGZVFWFLSA-N 358.461 2.756 0 50 FFAA O=C1CCN(Cc2ccc3c(c2)CCO3)CCN1Cc1ccc(F)cc1 12041001 MSJBKFMXZKLHAT-UHFFFAOYSA-N 354.425 2.995 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)/C=C/c1ccncc1 12442429 YVRZJUQPZCGEQY-SNAWJCMRSA-N 370.541 2.750 0 50 FFAA COc1ccc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)cc1Cl 13677007 VAZCBTMEOWHLSS-UHFFFAOYSA-N 374.890 2.517 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 14532248 YKRBLGMMYKLNMO-QGZVFWFLSA-N 370.472 2.925 0 50 FFAA O=C(CCc1ccccc1)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 169764180 QKHGYTGZWUOHAP-UHFFFAOYSA-N 364.449 2.672 0 50 FFAA Cc1noc(-c2ccn3c(CNC(=O)[C@H](C)c4ccccc4)nnc3c2)n1 169776252 MDAICAZNYRHCJW-GFCCVEGCSA-N 362.393 2.508 0 50 FFAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2n[nH]cc2C(F)(F)F)o1 1857528889 VSEMAAHDSGVDME-RTHLEPHNSA-N 355.320 2.525 0 50 FFAA CC(C)[C@@H]1CN2C[C@H](NC3CCN(CCc4ccccc4)CC3)C[C@H]2CO1 1857710292 PLDRPKDTXYONGL-VJBWXMMDSA-N 371.569 2.781 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)[C@H]1CC[C@H](c2ccccc2)N1 1857715654 BPBCOZIIHCROCV-HZPDHXFCSA-N 368.462 2.831 0 50 FFAA CC1(CCC(=O)N2C[C@@H]3[C@H](CNC(=O)c4ccco4)[C@H]4CC[C@]3(C2)O4)CC1 1857716428 MJPQHWOPIAALRZ-YJPQMCDFSA-N 372.465 2.596 0 50 FFAA CC(C)(C)c1noc(CN2[C@@H]3C[C@H]4CC[C@]3(CS2(=O)=O)C4(C)C)n1 427728956 PNLZJQATKQXTJD-PSTGCABASA-N 353.488 2.707 0 50 FFAA COCCn1ccnc1CN1CCc2[nH]nc(-c3ccccc3)c2CC1 1875241257 SDKKACKISHOHBX-UHFFFAOYSA-N 351.454 2.520 0 50 FFAA CCC[C@]1(CO)CCN(c2ccnc(-c3ccc4c(c3)OCO4)c2)C[C@@H]1O 1875249189 KDBWQQMCACPJCF-LEWJYISDSA-N 370.449 2.827 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccc(C)cc1 236685958 KYGPMXZNLGZWOR-WMZOPIPTSA-N 360.454 2.666 0 50 FFAA C[C@H]1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CC2(CCOCC2)O1 366155486 GYRQDSMZQUTHQO-KRWDZBQOSA-N 369.465 2.601 0 50 FFAA Cn1cc(-c2cc(CN3CCC[C@](CO)(c4ccccc4)C3)on2)cn1 374557893 AENONGZOMVYFQA-FQEVSTJZSA-N 352.438 2.601 0 50 FFAA O=C(NC[C@H]1CCCCN1C(=O)c1ccc(C(=O)O)s1)c1ccccc1 262716232 CRQZJOOHDYSPCU-CQSZACIVSA-N 372.446 2.871 0 50 FFAA C[C@@H](C(=O)O)C(=O)NCc1ccc(Br)cc1C(F)(F)F 263550873 KSPQLUVZNNFEFC-ZCFIWIBFSA-N 354.122 2.805 0 50 FFAA COc1ccc(OC)c(CCNC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 263932132 CMCIEXHMWBPAND-OAHLLOKOSA-N 358.442 2.559 0 50 FFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)C2CCOCC2)(c2ccccc2)CC1 847580319 KIGAQJAIMCEJOG-QGZVFWFLSA-N 370.493 2.664 0 50 FFAA COc1ccccc1Oc1ccc(NC(=O)Cn2nc(C)nc2C)cn1 2100482896 FMJMBWDXWJOQKI-UHFFFAOYSA-N 353.382 2.730 0 50 FFAA CCOc1ccc([C@H](COC)NC(=O)c2cccc3c2OCC(=O)N3)cc1 2325701271 AXRVVDQKMWWELB-KRWDZBQOSA-N 370.405 2.534 0 50 FFAA Nc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@H](O)C1 2325755413 GSKUFGVLCHOERT-ZJUUUORDSA-N 364.081 2.797 0 50 FFAA O=C1N[C@H](c2csc(Br)c2)C(=O)N[C@H]1C1CC2(CCC2)C1 2325777003 XPDDEEYBYCZCEJ-NEPJUHHUSA-N 369.284 2.747 0 50 FFAA CCCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868421 ZAAQNUIZWKALBI-DUQJVZAFSA-N 351.535 2.839 0 50 FFAA Cc1ncccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 2325870560 DQDYVQZCLPFXFY-QGZVFWFLSA-N 360.417 2.583 0 50 FFAA CCOc1ccc(C2(CNC(=O)c3cncc(O)c3)CCOCC2)cc1 109956906 RVYAWLZLLIUPJB-UHFFFAOYSA-N 356.422 2.664 0 50 FFAA COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 793338 ROQWUDMLIHZCCA-SFHVURJKSA-N 361.781 2.770 0 50 FFAA COC(=O)c1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 857476 BPMLMTQLZUEWHO-MRXNPFEDSA-N 354.406 2.880 0 50 FFAA COC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 892690 JJBYVQUBLKPXNB-UHFFFAOYSA-N 352.239 2.567 0 50 FFAA O=C(c1ccc2c[nH]nc2n1)N1CCC2(CC1)OCCc1sccc12 2356136034 DLUUGLNPMFILRR-UHFFFAOYSA-N 354.435 2.724 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cc3c(nc2O)CCCC3)C1=O 2356139846 JQTICWCOVGVTKB-OAQYLSRUSA-N 371.481 2.672 0 50 FFAA CCn1cnc(CN2CCC3(CC2)OCCc2cc(C(=O)O)sc23)c1 2356147325 RFQBWNQWCNIWJM-UHFFFAOYSA-N 361.467 2.727 0 50 FFAA Cc1[nH]ccc1C(=O)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 2356147713 LGLBIPMTPHKLJY-WIYYLYMNSA-N 370.449 2.624 0 50 FFAA O=C(NCc1ccco1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3958658 GEQAIBVXKAXREQ-LJQANCHMSA-N 374.396 2.803 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1nnc(CC(C)C)n1C 6700998 ODGFSWFAHDLXBD-UHFFFAOYSA-N 362.455 2.531 0 50 FFAA Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)n1 172857240 HCIXALAKCPKJRP-HOTGVXAUSA-N 369.421 2.659 0 50 FFAA Cn1cc2c(n1)CCC[C@H]2c1nc(-c2ccc(C(=O)NC3CC3)cc2)no1 349928882 MGGDJMLAIYDEIX-OAHLLOKOSA-N 363.421 2.831 0 50 FFAA COc1ccc(-n2cc(-c3ccnc(N4CCSCC4)n3)cn2)cc1 20661331 AMGLKLWYEUBMGN-UHFFFAOYSA-N 353.451 2.891 0 50 FFAA Cc1cnn(C[C@H]2CN(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CCO2)c1 151522952 ONXFHKVSFIIWIN-NVXWUHKLSA-N 360.433 2.811 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1cccs1 67840227 PNUIRUVXUGAZBG-FQEVSTJZSA-N 358.507 2.824 0 50 FFAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCCc2nnn[nH]2)[nH]1 67675320 ZXSPSROZAODIES-UHFFFAOYSA-N 362.441 2.957 0 50 FFAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 67612603 OYAYYVDDUOSBTQ-JKSUJKDBSA-N 366.527 2.531 0 50 FFAA CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1C 332193861 VQUVAQHGTDLJKG-LLVKDONJSA-N 351.428 2.735 0 50 FFAA Cc1c(NC(=O)c2cccc3c2OCC(=O)N3)cnn1-c1ccccc1F 129633024 FVMQHFGZANWXMY-UHFFFAOYSA-N 366.352 2.903 0 50 FFAA CCn1nccc1C(=O)N(CCc1ccc(OC)cc1)C[C@H]1CCCO1 216419434 SUPPCWDWWPWNBF-GOSISDBHSA-N 357.454 2.776 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](NS(=O)(=O)C2=Cc3ccccc3CC2)CCO1 328633680 STRAFGSAYCQWHR-APWZRJJASA-N 373.478 2.547 0 50 FFAA COc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c(C)c1 72145861 IGPYIECIJMBUBE-INIZCTEOSA-N 356.397 2.674 0 50 FFAA CC(C)n1ncc2c1C[C@H](NC(=O)Nc1ccc([S@](C)=O)cc1)CC2 332588919 LHCBSEWQZOFELV-BZQUYTCOSA-N 360.483 2.880 0 50 FFAA Cn1c(-c2nccn2CCc2nc(-c3ccncc3)n[nH]2)nc2ccccc21 71775749 QOVONKIOZMJRLU-UHFFFAOYSA-N 370.420 2.860 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCO2)c1 155814029 MZMCDHSAOLKJKA-UHFFFAOYSA-N 360.435 2.882 0 50 FFAA CCc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)no1 72410482 LDDCMZFKTMQSTE-GOEBONIOSA-N 374.510 2.749 0 50 FFAA O=c1cc(CN2CCCC[C@H]2CCN2CCOCC2)[nH]c2ccccc12 77302656 OSEKGHLHWAVRKH-SFHVURJKSA-N 355.482 2.605 0 50 FFAA Cn1ccnc1[C@@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)CCO1 333531052 QARCMOVFACELTQ-PBHICJAKSA-N 355.442 2.736 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc(C(C)C)[nH]c2=O)[C@H](C)C1 72407990 KXDVPQKMLPKGNA-OAHLLOKOSA-N 369.465 2.858 0 50 FFAA COc1cc(Cl)cc(CN2CCC3(CC2)CN(C)C(=O)O3)c1OC 72458241 PESPTXGDIVYYKE-UHFFFAOYSA-N 354.834 2.774 0 50 FFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 237655613 UACSJFQMNOEEFZ-WBVHZDCISA-N 352.390 2.753 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCc1ccc(N(C)C)cc1)C2 76141257 BTYZPEOCJRQHST-QGZVFWFLSA-N 354.450 2.671 0 50 FFAA O=C(O)CC[C@@H]1CCCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 237965839 PTKKUIDMXRPKQS-DZZUKKPASA-N 353.422 2.989 0 50 FFAA Cc1cccc2[nH]cc(CC(=O)N3CCN(C4CCOCC4)C[C@H]3C)c12 373898326 OMBRZXQYYAAOBV-MRXNPFEDSA-N 355.482 2.731 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCc3csc(N)n3)C2)c1 77553775 IUEVAWMLPQLUOJ-GFCCVEGCSA-N 361.467 2.691 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cccc4ccnn34)C2)c1 72157984 LHZDGXQHWHLLKE-CQSZACIVSA-N 351.406 2.981 0 50 FFAA COc1c(C)cnc(CN2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C 72126363 BMUQMQUEXQQFEU-KRWDZBQOSA-N 353.466 2.871 0 50 FFAA O=C(c1ccccc1-c1nnn[nH]1)N1CCC[C@H](Nc2ccc(F)cc2)C1 72172968 ZYUPACOFCYJEOU-HNNXBMFYSA-N 366.400 2.723 0 50 FFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(C(=O)OC)cc2)CC1 47977885 AOASYFXKWHRZQW-UHFFFAOYSA-N 361.442 2.586 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3ccc(Br)cc32)C1 40283666 QOYAPMTXYLIBTE-LBPRGKRZSA-N 365.227 2.727 0 50 FFAA CC(C)(CN[C@@H]1CCCN(Cc2ccccc2F)C1)CN1CCOCC1 20385670 ZIIYOMYIZIDFMO-LJQANCHMSA-N 363.521 2.738 0 50 FFAA COc1ccc(CN2CCN(C)[C@H](CO)C2)cc1OCc1ccccc1F 225342436 HHAOWLQAYTXLGF-SFHVURJKSA-N 374.456 2.522 0 50 FFAA CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 226627920 DMZFHWXMPCRDFN-XAMWDVODSA-N 355.390 2.511 0 50 FFAA CCc1noc(CCNC(=O)c2ccc(-c3ccccc3CO)cc2)n1 426530698 BJKJATNKVZKXRX-UHFFFAOYSA-N 351.406 2.764 0 50 FFAA CSCCN1CCN(C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 426508164 XUBIOEXWNNQEIL-LJQANCHMSA-N 370.522 2.861 0 50 FFAA CO[C@H](C)c1noc(CN2CCCN([C@H]3C[C@@H]3c3ccccc3)CC2)n1 291288965 ZMHIRYGEVCHSDZ-NXHRZFHOSA-N 356.470 2.841 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1CCNC(C)=O 85533115 LNLOKZOHDXLDHT-KRWDZBQOSA-N 370.497 2.896 0 50 FFAA CC[C@]1(CO)CCCN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 291929219 OFIFPYNIYQGQSX-FQEVSTJZSA-N 360.502 2.684 0 50 FFAA CC[C@H](NC(=O)c1cnc(C)nc1-c1ccccc1)c1ncnn1CC 426494722 YVYQZHGXZKLOBI-INIZCTEOSA-N 350.426 2.945 0 50 FFAA CN(CCn1ccnc1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 426552077 WHMLGCURYFVSDL-GOSISDBHSA-N 359.449 2.501 0 50 FFAA CC(C)(C(=O)N[C@@H]1COc2ccccc2C1)c1ccc2c(c1)OCCO2 194941390 QNEMWXYCUHWVSW-INIZCTEOSA-N 353.418 2.855 0 50 FFAA Cc1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)n(C)n1 97347390 JNPBXAVWBLQYCK-UHFFFAOYSA-N 369.400 2.937 0 50 FFAA CO[C@@H]1CCCOC12CCN(C(=O)c1cc(=O)c3ccccc3o1)CC2 95379657 FAFWZYHOUKSLRZ-GOSISDBHSA-N 357.406 2.593 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(Cl)cc1Br 230513841 SYNIUTDWLWSRSY-SECBINFHSA-N 368.680 2.868 0 50 FFAA CCn1nc(C)c([C@H](C)NC(=O)c2cnc(-c3cccnc3)nc2O)c1C 92045708 KQTQKSDPPZWVAF-NSHDSACASA-N 366.425 2.568 0 50 FFAA CCc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(C)=O)cc1 239309768 HVLUCVHXAILUOJ-YDRVBMSGSA-N 364.445 2.613 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)ccc1N1CCOCC1 91665855 MAJCUGPLBWRWQM-JOCHJYFZSA-N 372.509 2.846 0 50 FFAA COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)cc1F 95378298 UDKVPOLIIHMJDA-INIZCTEOSA-N 374.460 2.612 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)cc1Cl)C2 95392826 GZYQFHXHJOSYKT-WCQYABFASA-N 353.825 2.697 0 50 FFAA C[C@H](c1nc(CCc2ccccc2)nn1CC(F)(F)F)n1cncn1 96142280 BZXZYUDZMDPAFL-GFCCVEGCSA-N 350.348 2.826 0 50 FFAA CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H](C(=O)O)c1cccnc1 95390882 ZEVRWTXLGIPZJH-IBGZPJMESA-N 367.449 2.965 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCC4(CC3)OCCC[C@H]4O)oc2c1 95353600 SWDMIBVGDBAYLH-QGZVFWFLSA-N 359.422 2.896 0 50 FFAA Cc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(Cc4ccncc4)C3)C2)n1 91656816 SQMGVAIHJAWQIP-NRFANRHFSA-N 365.481 2.898 0 50 FFAA Cc1cc(-n2cccn2)ccc1NC(=O)Nc1cnn(CCN(C)C)c1 239882306 DAZQATDFLSKEOK-UHFFFAOYSA-N 353.430 2.583 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91932768 KAKDRNWUARTLHK-CYBMUJFWSA-N 353.344 2.626 0 50 FFAA Cc1noc2nc3c(c(C(=O)N[C@H]4CC[C@H](n5cnnc5)CC4)c12)CCC3 244723914 MJWQOTWEXGTLHS-JOCQHMNTSA-N 366.425 2.525 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cccc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)cn1 244774277 PRDBBIUUNGAHBK-ZIFCJYIRSA-N 354.406 2.535 0 50 FFAA COc1cc(C)c(NC(=O)N2CCCNC(=O)[C@H]2CC(C)C)cc1F 297003197 VDQRVSUJBAHCEA-OAHLLOKOSA-N 351.422 2.911 0 50 FFAA COc1ccccc1CNC(=O)CN1CCC[C@H](C(=O)c2ccccc2)C1 252485616 HAIKQSAZAALHPQ-IBGZPJMESA-N 366.461 2.906 0 50 FFAA Cn1nc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1OC(F)F 185091563 SSAGNWFAJZXSCC-CYBMUJFWSA-N 367.352 2.832 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C2 299750898 ORMZWDGIULRITN-CYBMUJFWSA-N 359.378 2.505 0 50 FFAA CO[C@@]12[C@H]3[C@@H]4[C@H]5[C@@H]6[C@H]7[C@H]4[C@@H]4[C@@H]8[C@H]9[C@@H]%10[C@H]([C@H]([C@H]6[C@H]%10[C@@]78Br)[C@@H]51)[C@@H]2[C@H]9[C@@H]34 257358368 TULRIWOOIXMAQT-OOHMUDIMSA-N 369.302 2.747 0 50 FFAA N=C1C(c2nc3ccccc3s2)=C(O)CN1CCNc1ncccn1 252572223 YZRGVQOQANNLLP-UHFFFAOYSA-N 352.423 2.760 0 50 FFAA O=C(C[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O)NCc1cccnc1 252485555 GYRDPRXSMMGIAE-QGZVFWFLSA-N 374.400 2.571 0 50 FFAA COc1ccc(C(N)=O)cc1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 534653119 MRRIGULLBCSOSJ-OKILXGFUSA-N 368.433 2.711 0 50 FFAA CC(C)C(=O)N1CCn2nc(CNC(=O)NCCC3=CCCCC3)cc2C1 534660567 QQZJOXOEPOYRCQ-UHFFFAOYSA-N 373.501 2.571 0 50 FFAA O=C(N1C[C@H](CO)[C@H](CN2CCCCCC2)C1)C1(c2ccccc2)CC1 92004604 ADCUYKNCXSIBSM-RTBURBONSA-N 356.510 2.661 0 50 FFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCCCn1ccnc1C 299800496 STEYNUXRUMOOPN-UHFFFAOYSA-N 370.413 2.770 0 50 FFAA CN(CC[C@H]1CCCCO1)C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299770850 RNHKCQGAIJPUSY-QGZVFWFLSA-N 363.479 2.877 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)CCc1n[nH]c2c1CCCC2)c1ccccc1 299801699 YFLUQZHGXAWLCF-FQEVSTJZSA-N 363.465 2.860 0 50 FFAA Cn1ncc2cc(NC(=O)N[C@H]3CCCN(Cc4cccnc4)C3)ccc21 299771410 ZIVNYGHORQLNFV-SFHVURJKSA-N 364.453 2.754 0 50 FFAA Cc1cc2occ(C(=O)N3CCCC[C@@H]3C(=O)N3CCOCC3)c2cc1C 185584460 KLODSRFTIJMAMV-GOSISDBHSA-N 370.449 2.903 0 50 FFAA Cc1cc(CNC(=O)N2CCN(c3ccc(Cl)cn3)CC2)cnc1C 584895012 IABOJTBBLPZGHR-UHFFFAOYSA-N 359.861 2.779 0 50 FFAA COc1c[nH]c(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)cc1=O 670445324 UCSXPBCUHSAQFX-HXUWFJFHSA-N 363.417 2.915 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cn(C)nc2C)cc1C1CC1 952822560 KYYSSYHGRBWSDQ-PKOBYXMFSA-N 355.438 2.875 0 50 FFAA O=C1C[C@@H](c2ccccn2)NC(=O)N1C[C@@H]1CCCN1c1ccccc1 1875278742 AIOMYVQGDLARTB-WMZOPIPTSA-N 350.422 2.734 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 1875371934 QRCNUVIRTGIKEB-KRWDZBQOSA-N 354.454 2.877 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3-c3ncc[nH]3)nn(C)c21 1875403751 AKPACZIMIZDPKA-OLZOCXBDSA-N 365.437 2.762 0 50 FFAA Cc1nc(=N[C@H]2CCN(C(=O)[C@@H]3CCC3(C)C)CCC2(F)F)s[nH]1 1875407622 DZOJIXRNLGDNOX-RYUDHWBXSA-N 358.458 2.743 0 50 FFAA CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C[C@H]2C[C@@]24CCOC4)CC3)o1 1875406909 OSPRMQLCXMWNPI-MXTNKPTQSA-N 358.482 2.948 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)c2cccc3nccnc23)cc1C 952977807 RLMOQNJXVWDHCO-UHFFFAOYSA-N 350.378 2.775 0 50 FFAA CCN1CCO[C@@H](CNC/C(C)=C/c2ccccc2)[C@@H]1c1nccn1C 886074616 HRKDAOFZDVKKRS-KSRMRMEDSA-N 354.498 2.875 0 50 FFAA CN1C(=O)CC[C@H](CNCc2ccc(C3CC3)cc2)[C@H]1c1nccn1C 888078990 SRLAJAJGNHMSQP-QUCCMNQESA-N 352.482 2.997 0 50 FFAA CCNc1ccc(NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cn1 1349509467 SXMMTWGJACMEGN-KBPBESRZSA-N 355.442 2.774 0 50 FFAA O=S(=O)(c1cnn(CC(F)F)c1)N1CCC(c2ccccc2)CC1 186296712 XMLMALVSTZZWKP-UHFFFAOYSA-N 355.410 2.717 0 50 FFAA CN(C)C(=O)c1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1 169975734 MPBOWRNXWSYXGM-UHFFFAOYSA-N 366.417 2.587 0 50 FFAA CC1([C@@H]2NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)CCCCC1 170595693 ORTBXTNBFSFZPE-OAHLLOKOSA-N 365.380 2.794 0 50 FFAA Cc1nc(C2CC2)nc2sc(C(=O)N[C@@H](C)CN3CCOC3=O)c(C)c12 170604558 DTSSYEUWLHSPNJ-VIFPVBQESA-N 374.466 2.756 0 50 FFAA CCCOc1ccc(CN[C@@H](CCOC(C)C)C(=O)OC)cc1OC 170616006 FAOCTPXLDDDFIK-INIZCTEOSA-N 353.459 2.930 0 50 FFAA COc1ccc(Cl)cc1CNC(=O)CN1CCC[C@@H]1CN1CCCC1 171745154 HWRYQAZASKSEEK-QGZVFWFLSA-N 365.905 2.525 0 50 FFAA COc1cccc([C@@H](O)CNC(=O)c2ccc(N3CCCCCC3)nc2)c1 171874762 LZXPPMKDZFTSDQ-IBGZPJMESA-N 369.465 2.934 0 50 FFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(C)cc2)cc1OC 1529162245 YIKOJIAQAVTONO-NHCUHLMSSA-N 357.450 2.947 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3cc4c(Cl)cccc4n3C)C[C@@H]2O)n[nH]1 1704297753 CBWIHIOIBPXZOD-XIKOKIGWSA-N 372.856 2.539 0 50 FFAA CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)[C@@H]2CCCO2)CC1 12593355 WVGMHNBIFUKYAQ-KRWDZBQOSA-N 363.429 2.719 0 50 FFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3ccc(C(C)(C)C)cc3)CN2C1=O 14538813 NTDLVBMPIKTEEV-QZHFEQFPSA-N 371.525 2.588 0 50 FFAA COc1ccc(NC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)c(OC)c1 16626016 OHULFNOUKFCHNN-UHFFFAOYSA-N 367.409 2.736 0 50 FFAA O=C(c1ccncc1)N1CCN(Cc2ccccc2Br)CC1 19349151 JQHSPSVWTBDQJY-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA COC[C@H](C)N1CCc2[nH]nc(-c3cccc4c3OC(F)(F)O4)c2C1 19791493 JLZYMXDZEUHDNJ-JTQLQIEISA-N 351.353 2.791 0 50 FFAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCC2(N(C)C)CCCCC2)o1 1857526270 NZKBKBWAUBFVOV-UHFFFAOYSA-N 364.486 2.702 0 50 FFAA Cc1cncc(S(=O)(=O)N2CCC3(CC2)OCCc2ccccc23)c1 1857527633 YAZGOOFVGIQIET-UHFFFAOYSA-N 358.463 2.643 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(N2CCOCC2)c(C)c1 1857674123 RZVLMAZHNAYSNJ-DSKINZAPSA-N 358.482 2.597 0 50 FFAA COc1ccccc1-c1cc(C(=O)N[C@H]2CCCc3c2c(C)nn3C)n[nH]1 1857684566 SRMXWBNXHLVULE-AWEZNQCLSA-N 365.437 2.935 0 50 FFAA CC(C)c1ccc(CC(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857711751 KSBFEDDYXHCQRH-JQVVWYNYSA-N 370.493 2.937 0 50 FFAA CCc1noc(C)c1C(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857720543 YXNWQEQQTGXGAY-LTVCHDBBSA-N 373.497 2.697 0 50 FFAA COc1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 19881064 CMDGXOSBMYYFSQ-TYUXRXASSA-N 354.450 2.886 0 50 FFAA O=C(c1cc(C(F)F)[nH]n1)N1CCCN(c2nc3ccccc3o2)CC1 2100547360 HLGXTWVEIYHORK-UHFFFAOYSA-N 361.352 2.841 0 50 FFAA O=C(CCN1CCC[C@H]([C@]23CC[C@H]2CCN3)C1)N1CCc2sccc2C1 2325765195 XRMLJFIJUMJMJQ-WFXMLNOXSA-N 373.566 2.877 0 50 FFAA O=C1CC[C@H](c2nc(-c3cc[nH]c4nccc3-4)no2)CN1CC(F)(F)F 2325777500 HXMGWQVGLACTPL-VIFPVBQESA-N 365.315 2.833 0 50 FFAA COC(=O)[C@@H](NC(=O)c1cc2ccc(OC)cc2n1C)[C@@H]1C[C@H]2CC[C@H]1C2 2325826965 QVHFWBBSILJYMA-MCBIMKKHSA-N 370.449 2.895 0 50 FFAA N[C@@]1(c2ccccc2)CCN(C(=O)NCc2ccn(-c3ccccc3)n2)C1 2325857618 JAXDCWAVQIJUOQ-NRFANRHFSA-N 361.449 2.642 0 50 FFAA CCc1ccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)cc1 1137295 CDYAFLXRQHFPGO-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCc3nc(-c4ccccc4)nn3CC2)no1 2356163999 AEQBMAIOJNFSBL-UHFFFAOYSA-N 365.437 2.830 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4196997 DWUXOADNYZZIEE-QZTJIDSGSA-N 356.447 2.916 0 50 FFAA O=C(O)c1ccccc1C(=O)NC[C@H](O)COc1ccc2ccccc2c1 4351230 VUGJFKSCACJREA-INIZCTEOSA-N 365.385 2.708 0 50 FFAA C[C@@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 55107625 NILQBGYRGNBCJX-AWEZNQCLSA-N 365.437 2.841 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NC4CCC4)CC3)CC2)n1 55199005 GGWVFDKTQGGKPH-UHFFFAOYSA-N 370.541 2.735 0 50 FFAA CC[C@@H]1CN(C(=O)c2coc(COc3ccc4ncccc4c3)n2)CCN1 67956046 WDBPVSFSNCGUBT-OAHLLOKOSA-N 366.421 2.626 0 50 FFAA Cc1nc(NCCNC(=O)c2ccc(Cl)cc2)cc(N2CCCC2)n1 67601779 QNEWGDDRWZYKFJ-UHFFFAOYSA-N 359.861 2.881 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccccc3OC)CC2)n1 64800013 LLKNOUOXZBUGDF-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA COc1ccc(OC)c([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 8773048 GBNFLIQUBILQAY-SFHVURJKSA-N 367.357 2.801 0 50 FFAA Cn1cc(C(=O)NCc2ccc(C(N)=O)cc2)c(-c2ccc(Cl)s2)n1 475351770 MPUXJMYCFRGZSE-UHFFFAOYSA-N 374.853 2.831 0 50 FFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)on1 21719682 AQAVLHJUSYPAJE-LLVKDONJSA-N 350.425 2.514 0 50 FFAA Cn1cc(CN(C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)C2CC2)cn1 67822023 JZEPRERMGDDOPY-HNNXBMFYSA-N 353.344 2.664 0 50 FFAA Cc1ccncc1S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 332690434 UXOSGUMRZVVZOJ-LBPRGKRZSA-N 369.849 2.740 0 50 FFAA COC[C@]1(C(=O)N2CCSC(C)(C)C2)CCN(C(=O)OC(C)(C)C)C1 253419414 MWRAHRTZCWPBFP-SFHVURJKSA-N 372.531 2.614 0 50 FFAA Cc1ccc(C(=O)N2CCCC3(CCNCC3)CC2)cc1N1CCNC1=O 67919584 SYOWTCRHYSPTFK-UHFFFAOYSA-N 370.497 2.521 0 50 FFAA COC(=O)c1sccc1-n1cc(C(=O)[C@H](C)Oc2ccccc2)nn1 5747049 WDBZJLVQXKSZFZ-NSHDSACASA-N 357.391 2.766 0 50 FFAA O=C(N[C@@H]1CCN(Cc2cc3ccccc3s2)C[C@H]1O)c1ccncc1 77454818 FODCYWCJLVMKLQ-QZTJIDSGSA-N 367.474 2.662 0 50 FFAA Nc1nc(NCCc2cccc(C(F)(F)F)c2)cc(C2CC(N)C2)n1 219358640 UPMIBQDWWIZRMC-UHFFFAOYSA-N 351.376 2.937 0 50 FFAA O=C(C[C@H]1CCCN1C(=O)[C@@H]1CCn2ccnc2C1)c1ccc(F)cc1 333211167 UAUFJHWVYLBBKY-NVXWUHKLSA-N 355.413 2.849 0 50 FFAA Cn1c2c(cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)c1=O)CCCC2 77387832 WSQFUZGZVRCLJZ-UHFFFAOYSA-N 361.445 2.944 0 50 FFAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccccc1N1CCOCC1 367902939 YFTOPCWWMIJSIT-YWZLYKJASA-N 367.449 2.845 0 50 FFAA COc1ccccc1N1CCN(C(=O)NCCc2ncc(C)s2)CC1 173606765 REXMJUCWXLCUMK-UHFFFAOYSA-N 360.483 2.534 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCSc1nccn1C 72408344 CEFUDBPWCFDDGX-UHFFFAOYSA-N 369.494 2.674 0 50 FFAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1csc(CN)n1 237708335 DCAUZRNRNKDNLB-HZMBPMFUSA-N 351.859 2.857 0 50 FFAA O=C(NCC[C@H]1CCNC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 262580805 ONPHOVZQPFTKDQ-CYBMUJFWSA-N 358.463 2.916 0 50 FFAA Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C(=O)O)C3)c2C(F)(F)F)cc1 237842895 OJTWWUBKUQFNDZ-LLVKDONJSA-N 367.327 2.746 0 50 FFAA CCN1CC2(CCN(C(=O)Cc3c(C)[nH]c4c(F)cccc34)CC2)OC1=O 77319307 ZGYPHTIKSIPHRI-UHFFFAOYSA-N 373.428 2.991 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2CCCn3cncc3C2)cc1OC 72170076 WZYYKKWEQCBYBP-UHFFFAOYSA-N 353.426 2.696 0 50 FFAA OCCOc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 72421241 SHBDBEPAFMDDER-QFIPXVFZSA-N 366.505 2.733 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(C(=O)c1ccccc1C(F)(F)F)C2 72156184 NZLPIPWZEBJVEO-UHFFFAOYSA-N 367.327 2.575 0 50 FFAA Cn1ccnc1[C@@H](NC(=O)c1cc(-n2cccc2)ccn1)C1CCOCC1 288196919 RFPCZDAWEYXBRI-SFHVURJKSA-N 365.437 2.504 0 50 FFAA Cc1noc(C)c1C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82096271 BVFLDFKFZQJQLJ-UHFFFAOYSA-N 371.485 2.956 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cccc(-n2cnnc2)c1 82137804 GZOLXHKILWALTP-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1ccc(SCCO)cc1 222948871 JYPPJMVIPVILEU-SFHVURJKSA-N 371.506 2.560 0 50 FFAA COc1cccnc1-c1cccc(C(=O)N(C)CCc2noc(C)n2)c1 426445144 QJYAZACYIGNDLS-UHFFFAOYSA-N 352.394 2.763 0 50 FFAA Cc1cc2c(cc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1)OCCO2 223938021 DSSJWFZZZOSZES-KRWDZBQOSA-N 368.433 2.983 0 50 FFAA CNC(=O)[C@H]1CCN(C(=O)c2ccc(-c3cn(-c4ccccc4)cn3)cc2)C1 223869933 VINVWXREFYELDP-SFHVURJKSA-N 374.444 2.747 0 50 FFAA COc1cc(C(=O)N[C@@H]2COCC[C@H]2OC)c(Cl)cc1OC(C)C 220069622 CIYHAMISIGFFKY-ZIAGYGMSSA-N 357.834 2.670 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1n[nH]c2ccccc12 222230027 RQNUHPQCVKZTLX-MSOLQXFVSA-N 351.406 2.667 0 50 FFAA CC(C)C(=O)N1CCC(N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 82092560 CMBMMAAKGMPGBY-UHFFFAOYSA-N 370.497 2.532 0 50 FFAA Cc1nc(C)c(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)s1 426574820 TYDUSOCTEPRVJT-UHFFFAOYSA-N 359.451 2.999 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cnc(-c2cccnc2)nc1C 97307744 GVNOLVCALAKXBX-GOSISDBHSA-N 363.421 2.702 0 50 FFAA CCO[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91519110 DUAVTOIAJNKKLV-QGZVFWFLSA-N 358.482 2.843 0 50 FFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(OCCCN)CC3)cc2)n1 237660090 MDHFVOQUIKWMPN-UHFFFAOYSA-N 370.497 2.518 0 50 FFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2csc(N)n2)c1 96131807 MADPCSZCFAGGAV-GFCCVEGCSA-N 373.482 2.995 0 50 FFAA Cn1cncc1CN1CCC2(CC1)CC(=O)N(C/C=C/c1ccccc1)C2 91931676 VJZHJAPEKCANQA-VMPITWQZSA-N 364.493 2.948 0 50 FFAA CO[C@H](CNC(=O)c1cnc(CN2CCCC2)s1)c1cccs1 97619544 FOMRLJUERJUWTL-GFCCVEGCSA-N 351.497 2.918 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3scc4c3OCCO4)C[C@H]2N(C)C)cc1 95520183 NRLNJAVKWSOMOG-JKSUJKDBSA-N 372.490 2.998 0 50 FFAA CSc1nccc(N2CCC(NCc3cn4cc(C)ccc4n3)CC2)n1 95384310 RNQNOMFJVZAKAD-UHFFFAOYSA-N 368.510 2.913 0 50 FFAA COc1ccc(F)cc1NC(=O)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 95531268 JPEHHMTZNPCEEU-HNNXBMFYSA-N 372.400 2.542 0 50 FFAA CCc1nnc(CN(CC)C(=O)Nc2ccc(Cc3n[nH]c(C)n3)cc2)o1 96166489 NNRQLDZJJJLARJ-UHFFFAOYSA-N 369.429 2.703 0 50 FFAA Cc1ccccc1[C@@H](c1nc(Cc2cccs2)nn1CCO)N(C)C 96131879 AKZYVJKKJMFXAP-SFHVURJKSA-N 356.495 2.882 0 50 FFAA Cc1cc(N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)ncn1 91305548 BVKPOQBFNDKLNX-UHFFFAOYSA-N 365.481 2.632 0 50 FFAA O=C(NCCN1CCCc2ccccc21)[C@@H]1CCCN(c2ccccn2)C1 97259165 UVDIYZBJDHVDTI-LJQANCHMSA-N 364.493 2.867 0 50 FFAA COCCN1CCN(C(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)CC1 96166330 NCQCXTVRYWKPQG-OAQYLSRUSA-N 368.477 2.509 0 50 FFAA O=C(CC1CC1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95386001 GFFSGKXSEADTRZ-MAODMQOUSA-N 354.450 2.604 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1cnc3c(C)cccn13)C2 91707770 IPPRDSCIYOJVMP-OAHLLOKOSA-N 351.406 2.519 0 50 FFAA C[C@@H](NC(=O)C1CCN(C(=O)C2CCC2)CC1)c1nc2ccccc2[nH]1 91871687 YTXIVFIFSNFUGN-CYBMUJFWSA-N 354.454 2.779 0 50 FFAA COc1ccc(OC)c(NC(=O)CCN2CC(Oc3ccc(F)cc3)C2)c1 244659515 HEBJRRHXDNQNIO-UHFFFAOYSA-N 374.412 2.935 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccc(F)cc2n1 243885900 ADOWUSALAMSRLB-XFHNUULXSA-N 368.412 2.658 0 50 FFAA CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N=C3N(N)c4ccccc4N32)cc1 253495478 GBNKQNWCNJWFHR-KRWDZBQOSA-N 363.421 2.604 0 50 FFAA C[C@]1(C(=O)NCc2cccc(COC3CCOCC3)c2)C[C@H]2CC[C@H]1O2 250738886 PKCZCDTZLPINSL-SBHAEUEKSA-N 359.466 2.956 0 50 FFAA Cc1cc(C(N)=O)c(-c2cccc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2)nc1C 534676293 ZAGOVNVMOSAELX-OKILXGFUSA-N 367.449 2.714 0 50 FFAA CC(=O)c1ccc(NC(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc1 299793803 IKDHTXOMLBMXEE-UHFFFAOYSA-N 358.442 2.691 0 50 FFAA COc1ccc(NC(=O)N[C@@H](C)c2nncn2C2CCCC2)c(OC)n1 299801060 YBZUXCVIDTUXDL-NSHDSACASA-N 360.418 2.688 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)c1cc(C(F)F)n[nH]1 299785502 SNXMUBIPRBCAIW-UHFFFAOYSA-N 353.344 2.965 0 50 FFAA CS(=O)(=O)c1ccc(C2(C(=O)NC[C@H]3CCCO3)CCCCC2)cc1 299779609 RCWBWNKXZPIMSK-MRXNPFEDSA-N 365.495 2.587 0 50 FFAA Cc1oc2c(c1C(=O)Nc1ccc(Oc3nn[nH]n3)cc1)C(=O)CCC2 828135735 OEODOSSLSFYWAK-UHFFFAOYSA-N 353.338 2.665 0 50 FFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(OC)c(C)cc1OC 823086811 IKEAUCDCJHWUCJ-AWEZNQCLSA-N 357.472 2.592 0 50 FFAA Cn1ncc(C(=O)NC[C@@H](CO)c2cccc(F)c2)c1Cc1ccccc1 1875358536 ZMFXCDHOYGZGBL-KRWDZBQOSA-N 367.424 2.656 0 50 FFAA C=CC(=O)NC[C@H](NC(=O)c1snnc1C)c1ccc2ccccc2c1 1875386104 JCLDCRIFMWSJPH-INIZCTEOSA-N 366.446 2.773 0 50 FFAA Cn1c(CC(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)cc2ccccc21 1875396076 VADBJZBJIPNOEE-KBMIEXCESA-N 359.495 2.923 0 50 FFAA CC(=O)N1CC[C@]2(CCCC[C@H]2NC(=O)c2cncc3c2CCCC3)C1 1875339051 UUSKHUWKZHFBPT-TZIWHRDSSA-N 355.482 2.871 0 50 FFAA C[C@H]1CN(C(=O)c2cc3ccc(Cl)c(F)c3[nH]2)C[C@]2(CCOC2)O1 1875274295 FOQMRCGASAZCKH-BTDLBPIBSA-N 352.793 2.980 0 50 FFAA Cc1ncnc(N2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)c1C 952986694 HSQOJCHBBQVLLZ-UHFFFAOYSA-N 370.888 2.956 0 50 FFAA CN1CCC(Oc2ccc(NC(=O)c3ccc(CCN)cc3)cc2)CC1 952965281 OCXAYUBBOPYTEM-UHFFFAOYSA-N 353.466 2.913 0 50 FFAA O=C1CCc2c1cccc2C(=O)N1CCN(c2ncccc2Cl)CC1 952981506 ZLYUEEVTCSAPFM-UHFFFAOYSA-N 355.825 2.826 0 50 FFAA COc1cccc(-c2ncc(CNCCN3CCCC[C@H]3CO)s2)c1 952988514 QGIVDLLXOMFRQP-INIZCTEOSA-N 361.511 2.755 0 50 FFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCCO4)[C@H]2C)o1 886084986 RIVNCSKRKKIFMS-WFASDCNBSA-N 357.410 2.948 0 50 FFAA CN(C)C[C@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@@H]1O 1565511774 OTQBEFLHDNWEEV-BEFAXECRSA-N 361.486 2.784 0 50 FFAA CCCc1ncncc1C(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565508941 SEOYLAAVWGJMAN-ROUUACIJSA-N 359.401 2.535 0 50 FFAA O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 170597819 UXBHVORQWNOSKT-AWEZNQCLSA-N 366.776 2.699 0 50 FFAA Cc1ccc2nnc(CNC(=O)c3csc(-c4ccsc4)n3)n2n1 170610075 KAXMMFAHJUMKFP-UHFFFAOYSA-N 356.436 2.548 0 50 FFAA COc1cc(Cl)ccc1C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408126993 UJEHNNWYRNNCDT-UHFFFAOYSA-N 353.850 2.567 0 50 FFAA C[C@]1(C(=O)NS(=O)(=O)c2c(Cl)cccc2Br)C[C@@H]1F 408500761 PHQLQQLSNLPTSS-KWQFWETISA-N 370.627 2.656 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 109621856 QYJUCSBIXPMZOK-ZDUSSCGKSA-N 351.830 2.711 0 50 FFAA O=C1Nc2ccccc2CC[C@H]1N1CCn2c(nnc2-c2ccccc2)C1 192050925 JVBSTCDBNNXCFH-GOSISDBHSA-N 359.433 2.714 0 50 FFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(CSc3nc[nH]n3)o2)s1 1529134011 KZJVDAMIRZSGET-SSDOTTSWSA-N 366.428 2.501 0 50 FFAA CC1(C(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)COC1 1704359787 XUUAKWLHAVHAIO-JOCHJYFZSA-N 363.461 2.987 0 50 FFAA Cc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)N4CCCC4)CC[C@@H]32)o1 217028128 FIYWGFCATVLXEC-AEFFLSMTSA-N 359.470 2.659 0 50 FFAA Cc1nc2ccc(-c3nc(C4CCOCC4)nn3-c3ccnn3C)cc2[nH]1 1772807285 LVZYUTTYWHCKJY-UHFFFAOYSA-N 363.425 2.747 0 50 FFAA O=C(NCCN1CCCc2ccccc21)c1cn(C2CCCCC2)nn1 11821899 WUBWMNCAXVZHQE-UHFFFAOYSA-N 353.470 2.966 0 50 FFAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1 13136308 JZFDTWNAKIKJNF-UHFFFAOYSA-N 372.277 2.899 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)C[C@@H](C)O1 14093256 NAASPTLJCZUNCS-GASCZTMLSA-N 374.462 2.737 0 50 FFAA COc1ccc2c(c1)[C@H](NC(=O)c1nc(Cl)n(C)n1)CC(C)(C)O2 1857687544 YEYQPRAVFUMTST-LLVKDONJSA-N 350.806 2.509 0 50 FFAA CCC(CC)C(=O)NC[C@H]1[C@H]2CN(Cc3ccncc3)C[C@]23CC[C@H]1O3 1857721098 YUGGTAQOAXPTRL-QEUVDIPISA-N 357.498 2.613 0 50 FFAA Cc1cc(=N[C@H](C)C2(S(C)(=O)=O)CC2)c2cc(OC(F)F)ccc2[nH]1 328592905 OTMKAKSPAUHNCY-LLVKDONJSA-N 370.421 2.944 0 50 FFAA COc1ccc2c(c1)[C@@H](NC1CCN(c3ncccn3)CC1)CCCO2 375535321 ZXAOVPGAWUCVQC-SFHVURJKSA-N 354.454 2.958 0 50 FFAA O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCCC[C@H](CO)C1 378300131 VMBSAYBLZFJATE-ZDUSSCGKSA-N 350.846 2.701 0 50 FFAA O=C1CCCc2ccc(C(=O)N3CCC[C@H]([C@]45CC[C@H]4CCN5)C3)cc2N1 2325793087 DZQSETGGWGGMSK-SPEDKVCISA-N 367.493 2.956 0 50 FFAA Cc1cnc([C@H]2CCCN(C(=O)NC[C@@H]3CNC(=O)C(C)(C)C3)C2)s1 2325800516 PCVQBVBXFBCEKA-KBPBESRZSA-N 364.515 2.503 0 50 FFAA O=C(c1ccccc1Cn1ccnn1)N1CCC[C@H](OC2CCC2)CC1 871325551 ZHFHSIFNOYDYMM-SFHVURJKSA-N 354.454 2.890 0 50 FFAA CCOC(=O)[C@H](CC)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 958740 GAYCJNLFOJGZEU-NSHDSACASA-N 366.439 2.846 0 50 FFAA O=C(NCc1ccccn1)c1ccc(Cn2cc(Br)cn2)o1 998408 JLDGLMUAUKNJHT-UHFFFAOYSA-N 361.199 2.612 0 50 FFAA CC(C)NC(=O)c1cccc(Nc2ncc3c(n2)[C@@]2(CCCNC2)CC3)c1 2356154660 DWNNARNRYLZAPT-NRFANRHFSA-N 365.481 2.926 0 50 FFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1cc(=O)c2ccccc2[nH]1 2356169841 IWOPWBVHYFWBRU-OAQYLSRUSA-N 351.450 2.648 0 50 FFAA CCCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)OC)c3)cc2C1=O 2881209 XZVCIRZBHLVVLX-UHFFFAOYSA-N 366.373 2.732 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)cc1OC(F)F 134224874 GVDDJPMJWKPEMH-LBPRGKRZSA-N 365.380 2.799 0 50 FFAA COc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 4999550 GRKSXKCCVNJOBG-UHFFFAOYSA-N 374.447 2.633 0 50 FFAA COc1cccc(CCC(=O)NC2CCN(Cc3ccncc3)CC2)c1 57167010 PCBXMCXJYKSMMZ-UHFFFAOYSA-N 353.466 2.804 0 50 FFAA CCc1cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)n(C)n1 116081151 VWIURHPGKYNTSD-UHFFFAOYSA-N 353.426 2.601 0 50 FFAA CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 20913103 AEHCREPFHQUBLJ-GOSISDBHSA-N 370.522 2.734 0 50 FFAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(S(=O)(=O)N2CCCCC2)c1 106235273 WLPFTFAYSBYQBB-MPGHIAIKSA-N 362.495 2.780 0 50 FFAA CCOc1cccc(OCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 65491491 ALZQTNJLKCQIDU-SJORKVTESA-N 354.450 2.745 0 50 FFAA Cc1ccc(C(N)=O)c(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 67852260 OTDWPICXDUUNMO-AZUAARDMSA-N 361.445 2.997 0 50 FFAA CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(NCCN(C)C)nc2)C1 67649734 PYZDMDNYIHBZOB-KRWDZBQOSA-N 360.502 2.523 0 50 FFAA COc1ccc2c(C)nc(N3CCN(Cc4ncccc4C)CC3)nc2c1 67817036 RSZVSGRYYSELNU-UHFFFAOYSA-N 363.465 2.972 0 50 FFAA COc1ccccc1-n1cc([C@H](C)Nc2nc(C)nc3c2CCNC3)cn1 67774187 RNVAFAVYTZCDKJ-ZDUSSCGKSA-N 364.453 2.798 0 50 FFAA Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)[C@@H]3C(=O)O)cc2)co1 424364709 FCOSKRFRCVFBHK-MEDUHNTESA-N 364.423 2.524 0 50 FFAA Cc1ccc2c(=O)cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)oc2c1 28404071 DVSOKLNCIKCHEI-UHFFFAOYSA-N 364.357 2.709 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc2c(c1)CCCC2 427444364 ZQXHWRJCSIMWQW-OAQYLSRUSA-N 363.461 2.902 0 50 FFAA Cc1noc(CCCN(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328645210 SCUUCEIGDICRRA-LBPRGKRZSA-N 357.380 2.720 0 50 FFAA Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)nc(-c2ccccc2)n1 253429128 SGQCRBQMLRRRJZ-UHFFFAOYSA-N 372.384 2.930 0 50 FFAA O=C(NCc1csc2ccc(Cl)cc12)[C@H]1CC2(CCNCC2)CN1 72146911 JUIGVZKAMBRDOC-OAHLLOKOSA-N 363.914 2.903 0 50 FFAA CCOc1ccncc1S(=O)(=O)NC[C@@H]1CCCN1C1CCCCC1 333415153 KVNYZZZFHBZTHV-INIZCTEOSA-N 367.515 2.556 0 50 FFAA O=C1CC[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2N1CCc1c[nH]cn1 72475325 VDNDGBFJVHEYFN-QFBILLFUSA-N 356.445 2.604 0 50 FFAA CC(=O)NCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12725550 WDOVTEPLVMFTRQ-SFHVURJKSA-N 368.481 2.800 0 50 FFAA C[C@H](NC(=O)[C@H]1CCC[C@@H]1N)c1cc2c(cc1Br)OCCO2 237525180 RYBCAXXGVJLTJT-KWBADKCTSA-N 369.259 2.525 0 50 FFAA Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 155851511 VZBXJUORZCFPDM-OAHLLOKOSA-N 369.465 2.975 0 50 FFAA O=C(Nc1cccc(N2CCCCCC2)c1)c1cn(C2CCNCC2)nn1 238077082 ZBZGOBFQWONRGE-UHFFFAOYSA-N 368.485 2.835 0 50 FFAA COc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1O 14960081 QHZZEZXKKBBPNI-UHFFFAOYSA-N 370.453 2.783 0 50 FFAA Cc1nc(CC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cs1 72479903 KUXJNLYFPKFCHZ-AWEZNQCLSA-N 369.450 2.845 0 50 FFAA CCOc1ccccc1C(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 72173758 LKJKSBVXYRFNAC-KRWDZBQOSA-N 370.424 2.798 0 50 FFAA CN1CCC(Oc2ccc(CNC(=O)COc3ccccc3)cc2)CC1 71376333 VOGKDIHSHDEKDI-UHFFFAOYSA-N 354.450 2.855 0 50 FFAA Cc1cc(N2CCN(C3CCN(C)CC3)[C@H](CCO)C2)c2ccccc2n1 72411938 QAKZXYRYTDHNSV-LJQANCHMSA-N 368.525 2.510 0 50 FFAA CC(C)c1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)nn1C 174340039 OXPVQJJEXJQFMJ-UHFFFAOYSA-N 368.437 2.699 0 50 FFAA O[C@@H]1CCCN(c2nccc(C3(c4ccccc4Cl)CCNCC3)n2)C1 72411561 ALINOUWNHGHZKT-OAHLLOKOSA-N 372.900 2.761 0 50 FFAA COc1cc(F)c(C(=O)N2CCC([C@@H](C)N3CCOCC3)CC2)c(F)c1 72428838 QZIVYVRYYFHAOU-CYBMUJFWSA-N 368.424 2.546 0 50 FFAA COCc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)sc2cccc(F)c12 262407467 BPJFJZIWMYTBFE-SNVBAGLBSA-N 367.398 2.503 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCC(c2c[nH]nc2C)CC1)c1ccccc1 375922047 LRZLMTXAILSYNU-LJQANCHMSA-N 354.454 2.692 0 50 FFAA CC(C)N1C[C@@H](C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)CC1=O 77521524 KOGWSGYBCYUGPT-AWEZNQCLSA-N 364.873 2.967 0 50 FFAA CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 15327811 CUDAZYOVNFWVPT-UHFFFAOYSA-N 358.463 2.541 0 50 FFAA CC(C)(C)OC(=O)N1C[C@H](n2cc(-c3ccccc3)nn2)C[C@@H]1C(=O)O 71257080 ADNVHPPFKNQHHE-UKRRQHHQSA-N 358.398 2.580 0 50 FFAA O=C(O)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 71735466 SGQGICBCPOQVSM-HOTGVXAUSA-N 356.397 2.987 0 50 FFAA O=C(NCc1ccccc1CN1CCCC1=O)c1scc2c1OCCO2 219588712 FPQYYSBIKRLBRN-UHFFFAOYSA-N 372.446 2.572 0 50 FFAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(OCc2cccc(F)c2)c1 220596079 OIKWFAHBSKMHEX-RTBURBONSA-N 359.397 2.938 0 50 FFAA Cn1ncc(N[C@H]2CCO[C@H](c3ccccc3)C2)c(Br)c1=O 329730351 HVGACOXSFNCOGE-JSGCOSHPSA-N 364.243 2.875 0 50 FFAA C[C@@H](NC(=O)NCc1ccn2ccnc2c1)c1nc(C2CCCC2)no1 177638966 ISKLZQPJGFQACH-GFCCVEGCSA-N 354.414 2.935 0 50 FFAA COC(=O)c1sccc1-c1ccc(C(=O)NC[C@H]2CCN(C)C2)cc1 426405089 FRGURVDJYUFXGM-CYBMUJFWSA-N 358.463 2.883 0 50 FFAA CC(C)Nc1cc(-c2ccc(C(=O)NCc3nccn3C)cc2)ncn1 426711118 BOAOCRKGGZPHAY-UHFFFAOYSA-N 350.426 2.627 0 50 FFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)S(=O)(=O)C1CC1 95512348 WPQFIZFSPRIDRV-HNNXBMFYSA-N 354.491 2.504 0 50 FFAA Cc1ccc2nc(CSCC(=O)NCc3ccc(C(=O)O)cc3)cn2c1 237905249 HIXSNZSPWAJXBH-UHFFFAOYSA-N 369.446 2.891 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)N1CC(Oc3ccccc3C)C1)C2 91829064 HYKABSTTXXNXCQ-MRXNPFEDSA-N 353.418 2.845 0 50 FFAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccc3[nH]c(C)nc3c2)C1 91650362 PGPQAGLVLZLRGP-FQEVSTJZSA-N 373.453 2.534 0 50 FFAA Cc1noc(CC2CCN(C(=O)[C@H](c3ccccc3C)N(C)C)CC2)n1 95530175 GDNATWFMZVQVTL-IBGZPJMESA-N 356.470 2.770 0 50 FFAA CCOc1cc(CNC2CCC(CS(C)(=O)=O)CC2)ccc1OC 293792366 QRKSDUWYVCLVOA-UHFFFAOYSA-N 355.500 2.787 0 50 FFAA Cc1ccc2nc(CNC(=O)N3CCCC[C@H]3CCn3cccn3)cn2c1 426491090 USUGFIKYZSXBHD-SFHVURJKSA-N 366.469 2.994 0 50 FFAA CC(C)Oc1cccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 91391457 PJPHOXVVSZHZEZ-KRWDZBQOSA-N 358.482 2.924 0 50 FFAA O=C(Nc1ccc(OCc2cccs2)cc1)N1CCS(=O)(=O)CC1 96164912 JXHLNGZWQZOIEE-UHFFFAOYSA-N 366.464 2.589 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 95371193 NNJIKWHFRGCUGQ-SFHVURJKSA-N 365.481 2.946 0 50 FFAA CC(C)CN1CC2(CCN(Cc3nnc(-c4cccnc4)o3)CC2)CC1=O 95375374 JIKWXINHPPLODC-UHFFFAOYSA-N 369.469 2.602 0 50 FFAA COc1cc(OC)c(CN2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc1Cl 91351181 OPVBDRVQSADXJA-DZGCQCFKSA-N 352.862 2.800 0 50 FFAA COc1ccc(-c2cc(C(=O)NCCNc3cc(C)ccn3)n[nH]2)cc1 91434823 ONULXCBNBSWNCE-UHFFFAOYSA-N 351.410 2.631 0 50 FFAA NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc2cccc(F)c2n1 91876609 CRAQGVVNWPEPLS-UHFFFAOYSA-N 351.381 2.892 0 50 FFAA O=C1CC2(CCN(C(=O)c3cc[nH]n3)CC2)CN1C/C=C/c1ccccc1 95379190 FOEMBLMFKCSLCA-QPJJXVBHSA-N 364.449 2.578 0 50 FFAA Cn1c(=O)oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cc21 96165881 DVKKHOHMYXIROZ-OAHLLOKOSA-N 370.409 2.683 0 50 FFAA CN(CCc1ccccc1)C(=O)CN1C[C@@H](Cc2ccccc2)CC1=O 95520011 BLWVOYXAARRTLU-FQEVSTJZSA-N 350.462 2.779 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 95387280 BPWJEICXAILSQL-OAHLLOKOSA-N 359.449 2.995 0 50 FFAA CSCCc1nc([C@@H]2CCCCN2Cc2ccccc2)n(CCO)n1 96139494 MKLFDQFWGHBJNL-KRWDZBQOSA-N 360.527 2.903 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 95388884 HSYKOQKSIKDEKH-QGZVFWFLSA-N 358.461 2.533 0 50 FFAA Cc1nc(N2CCN(c3nc4ccccc4o3)CC2)c2nc(C)oc2n1 91997219 GLXIYQMYQZSNKL-UHFFFAOYSA-N 350.382 2.702 0 50 FFAA CCSc1nnc(NC(=O)CN2CCCC[C@H]2c2nc(C)no2)s1 244875001 XKXUXSRCMBXRSK-JTQLQIEISA-N 368.488 2.507 0 50 FFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4c3COCC4)C2)cc1 244700941 JWVGSGVFRKUKNO-OAHLLOKOSA-N 355.438 2.722 0 50 FFAA O=C(NCCc1nc2ccccc2o1)N1CCC[C@H](Cn2ccnc2)C1 534668552 AFNMEUIIFXUONA-OAHLLOKOSA-N 353.426 2.689 0 50 FFAA O=C1C[C@@H](C(=O)NC2CCN(Cc3cccs3)CC2)c2ccccc2N1 368803334 XCDUGGUHJHHJEE-QGZVFWFLSA-N 369.490 2.955 0 50 FFAA COc1ccc(CN(C)C(=O)c2cnc3cnn(C)c3c2)c2cccnc12 1940197253 CNNOHSCMWJBRGF-UHFFFAOYSA-N 361.405 2.797 0 50 FFAA Cc1cc(F)ccc1CN1CCn2nc(CNc3cnccn3)cc2C1 299800756 IPCCDZLFZZUQEJ-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 827647777 XNSNOZZQZIZEOX-HXUWFJFHSA-N 370.472 2.706 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCO2 828166593 IPYFFMJFISXHKD-MRXNPFEDSA-N 354.406 2.639 0 50 FFAA Cc1nc([C@H]2CC(=O)N(C3CCCC3)C2)n(-c2ccc3c(c2)OCO3)n1 828247942 KBVYNYMVFNKFCR-ZDUSSCGKSA-N 354.410 2.563 0 50 FFAA Cc1ccc(OCC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)c(C)c1 952851543 NDBFBVCWWKQPKI-JXFKEZNVSA-N 355.438 2.954 0 50 FFAA C[C@H](NC(=O)N=c1ccn(Cc2ccncc2)[nH]1)[C@@H](C)Oc1ccccc1 1875264562 DDMPFPMDAGSTDZ-JKSUJKDBSA-N 365.437 2.726 0 50 FFAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@H](N)C2(C(F)(F)F)CCC2)n1 1875334975 NHXBRGGEYHVQRM-VIFPVBQESA-N 354.336 2.549 0 50 FFAA C=CC(=O)N1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 1875380875 CQSOVMDVHNEETO-ZDUSSCGKSA-N 373.840 2.783 0 50 FFAA CCc1cc(S(=O)(=O)N(C)[C@H](COC)c2ccccn2)ccc1OC 952985826 DTLGUQSHSMMHKD-QGZVFWFLSA-N 364.467 2.661 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)CC1(CO)CCOCC1 952872636 SEPFCPWDVGVBMA-UHFFFAOYSA-N 368.861 2.550 0 50 FFAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)CCOc2ccccc2)C1=O 952869977 RXBPHHWTMYFOEM-ZDUSSCGKSA-N 353.378 2.539 0 50 FFAA CO[C@H]1CCCCN(CC(=O)Nc2c(C)noc2-c2ccccc2)C1=O 886074656 LPTWAEUANBLETO-HNNXBMFYSA-N 357.410 2.616 0 50 FFAA COc1cc(-c2nnc([C@@H]3CCCO[C@H]3c3nccn3C)o2)cc(C)n1 886082222 MSJCDLDTKOEJGC-UKRRQHHQSA-N 355.398 2.817 0 50 FFAA CC(C)c1noc([C@H](NC(=O)[C@H](C)c2cccnc2)C2CCOCC2)n1 275276876 JYKRNWSOJJEFTH-CZUORRHYSA-N 358.442 2.976 0 50 FFAA CCOC(=O)C[C@H](NC(=O)[C@@H]1CSCCS1)c1ccc(F)cc1 170594622 JSRHJZDMRDJWML-KBPBESRZSA-N 357.472 2.785 0 50 FFAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nn(C)c(=O)s1 170617603 CEMWSIIKIJFGOX-LBPRGKRZSA-N 355.419 2.915 0 50 FFAA CNC(=O)[C@H]1CCCCN1Cc1ccc(OCc2ccccc2F)nc1 186923159 KFAIRWUTSQOSCA-GOSISDBHSA-N 357.429 2.900 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1c[nH]nc1-c1ccsc1 189301300 NBRGOIIKMNXHSN-UHFFFAOYSA-N 367.478 2.928 0 50 FFAA Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)c2cnn(C)c2n1 190667896 HQCRGYFSAHIXJF-CYBMUJFWSA-N 366.421 2.640 0 50 FFAA CCn1cc([C@@H]2CN(C(=O)c3ccc(-n4cccc4)cc3)CCO2)cn1 191795338 DEPPBIJBYVCCIR-IBGZPJMESA-N 350.422 2.907 0 50 FFAA CC1(C)CCCC[C@@H]1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 194376478 PMMWHRGJCVLGHZ-GFCCVEGCSA-N 370.437 2.633 0 50 FFAA Cc1ccsc1[C@H]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1O 210172834 HPNRNQOLSJHBFD-IRXDYDNUSA-N 354.479 2.988 0 50 FFAA Cc1ccc(CNC(=O)N2CCC[C@@]3(CCc4cnc(N)nc43)C2)cc1 1704356539 YOYQFPUXMRVZRB-HXUWFJFHSA-N 351.454 2.557 0 50 FFAA CC[C@H](C(=O)N(CCO)Cc1ncc[nH]1)n1cc(C(C)=O)c2ccccc21 1704303639 MXUUNCNBUQELJG-QGZVFWFLSA-N 368.437 2.539 0 50 FFAA COc1cc(-c2onc(N(C)CC3(CO)CCC3)c2C(=O)O)ccc1F 1704308432 RIDOYCFCCSIQCI-UHFFFAOYSA-N 364.373 2.786 0 50 FFAA CCCSc1nc2n(n1)C[C@H](CC(=O)Nc1ccc(CC)cc1)C(=O)N2 1848442451 QQLSCUIPVKNFKF-ZDUSSCGKSA-N 373.482 2.940 0 50 FFAA CC[C@H](OC)c1nc(Cc2ccc(OC)c(OC)c2)nn1-c1cnn(C)c1 1772806137 ZIDFKTMUBALMQL-HNNXBMFYSA-N 371.441 2.706 0 50 FFAA CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)C[C@H](O)CO 11818769 CQNAUHNFQNSZEM-FQEVSTJZSA-N 357.498 2.920 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cscn1 12454504 NJUQAPUNIDEWMR-LLVKDONJSA-N 369.368 2.693 0 50 FFAA CCc1noc(C)c1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 14947817 PFAMZGQNKROVHL-CYBMUJFWSA-N 361.829 2.730 0 50 FFAA CC(=O)NCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 14965470 XHOYIHCXSXRZDZ-QGZVFWFLSA-N 368.481 2.837 0 50 FFAA COc1ccc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1OC 19235020 BHTXAHKZLDXVIA-UHFFFAOYSA-N 354.450 2.970 0 50 FFAA COc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 19552366 NTBIMBZBMOFKRD-UHFFFAOYSA-N 358.413 2.801 0 50 FFAA Cc1nc(N2CCN(C(=O)c3ccsc3)CC2)cc(C(F)(F)F)n1 169772299 AUXAOPKPOIJAMX-UHFFFAOYSA-N 356.373 2.828 0 50 FFAA COC(=O)c1cc(Br)c(Br)cc1C(=O)OC 205365633 IYUAQOPKHCZEKX-UHFFFAOYSA-N 351.978 2.785 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC(C2CCNCC2)CC1 1857675590 FBVMJNSIVKUTAJ-UHFFFAOYSA-N 365.481 2.699 0 50 FFAA CC(C)c1csc(-c2nccn2[C@H]2C[C@H]3CO[C@@H](CCO)CN3C2)n1 1857727664 XIESPMQGSQAHCY-KKUMJFAQSA-N 362.499 2.527 0 50 FFAA CNc1nccnc1N1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2 1857741436 SMHSFBFKQBRSLT-IAGOWNOFSA-N 354.454 2.770 0 50 FFAA CCCc1cc(C(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)n[nH]1 328616210 BLWLCCWYYZYFRA-INIZCTEOSA-N 369.469 2.651 0 50 FFAA COc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cccs2)O3)nn1 12126196 YUPAEDJKMGKXGQ-AWEZNQCLSA-N 367.430 2.947 0 50 FFAA C[C@@H](NC(=O)c1ccnc(C(=O)O)c1)c1ccc(NC(=O)C2CC2)cc1 262606674 KNZHMIWNNNRJTJ-LLVKDONJSA-N 353.378 2.619 0 50 FFAA O=C(O)c1cccc(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)c1 263381054 BQGZLCWVWIVJKD-UHFFFAOYSA-N 374.824 2.805 0 50 FFAA CN(C)Cc1cnc(CN2CCC(O)(Cc3cccc(F)c3)CC2)s1 809644306 PNHPNWJCZJITLS-UHFFFAOYSA-N 363.502 2.913 0 50 FFAA C[C@H]1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 301513551 BZOXBMJJAITVHC-RDJZCZTQSA-N 369.490 2.778 0 50 FFAA Cn1ccc(-c2cc(C(=O)Nc3ccc(C4CCNCC4)cc3)no2)n1 2325809118 HNXKZRSYGUYQIP-UHFFFAOYSA-N 351.410 2.794 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)c2ccc(O)c(-c3ccccc3)c2)C1)C1CC1 2325873368 FKWOFZNVDFJXSN-QGZVFWFLSA-N 350.418 2.800 0 50 FFAA Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 796320 IQEZKSPCRILEOW-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@]3(CCc4c[nH]c(=N)nc43)C2)c(C)c1 2356160547 XMCZBNJXOBWRCT-FQEVSTJZSA-N 367.453 2.718 0 50 FFAA COc1ccc(CCNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1OC 4894541 UYOJBKFIFVXBNI-JKSUJKDBSA-N 361.438 2.810 0 50 FFAA CC(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)c1 100276713 IEVIORGJWMACIW-CVEARBPZSA-N 374.824 2.736 0 50 FFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(OC)c1 248177566 BGAPWPUUTJRBTK-RBUKOAKNSA-N 374.481 2.776 0 50 FFAA CCc1cccc(CC)c1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101751629 GNJJSSHAHRDIAE-CWLKWCNXSA-N 352.434 2.557 0 50 FFAA CN1CCC[C@@H](NC(=O)c2coc(COc3cccc4cccnc34)n2)C1 67966301 DGQQHOIREDLWIS-OAHLLOKOSA-N 366.421 2.626 0 50 FFAA COC[C@@H](NC(=O)Nc1nnc(-c2cccs2)s1)c1ccnn1C 23506068 TZQVMDRKBFMLDC-SECBINFHSA-N 364.456 2.509 0 50 FFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2)c1OC 12228531 AKBGKWXIXUQOSE-OAQYLSRUSA-N 358.482 2.928 0 50 FFAA CC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)n(C)c1 173705673 LEHKIAGIXIKDJV-IBGZPJMESA-N 353.466 2.964 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1F 6182703 VRDKGLJRTKDLQT-UHFFFAOYSA-N 356.806 2.884 0 50 FFAA CCCc1oncc1C(=O)Nc1nn(C)c2cccc(N3CCOC3=O)c12 77438351 WYVYLCVEKWANEH-UHFFFAOYSA-N 369.381 2.723 0 50 FFAA Cc1oc2c(c1C(=O)N1CCC[C@@H](C(=O)c3nccn3C)C1)C(=O)CCC2 77376144 IQGSRLXZZFSRAS-CYBMUJFWSA-N 369.421 2.576 0 50 FFAA Cc1nccnc1N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 72475460 AWMBPJHLYYFHLM-FQEVSTJZSA-N 351.454 2.589 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 237040064 TYSZMHARKHTQGO-OAHLLOKOSA-N 356.353 2.608 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cncc(O)c2)C1 332382836 ZALRNXXTZDHGSS-SNVBAGLBSA-N 354.332 2.559 0 50 FFAA Cc1cc2ccccc2n1CC(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 261652105 JPZBYPFKAWZHDI-MRXNPFEDSA-N 354.328 2.815 0 50 FFAA COc1c(CNCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c(C)nn1C 237204071 MZCFWHDMTSEPSZ-HOTGVXAUSA-N 372.513 2.636 0 50 FFAA COc1ncncc1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 333906080 UZESYLOWEWWCNB-GFCCVEGCSA-N 374.363 2.698 0 50 FFAA CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(CO)c1 284754421 ZGGBTMBRKXQWNZ-IEBWSBKVSA-N 357.454 2.740 0 50 FFAA C1CCC(c2nc3c(c(NCc4noc([C@@H]5CCCO5)n4)n2)CNC3)C1 72167483 HOJFQAZMBPZXHO-AWEZNQCLSA-N 356.430 2.584 0 50 FFAA CC1=NC(=O)C2(CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)N1 71750696 UVSKYVSLLJPYNG-UHFFFAOYSA-N 352.438 2.841 0 50 FFAA C[C@H](Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)[C@@H]1CCOC1 374347233 CHZRMXMPMMVDBF-LSDHHAIUSA-N 358.486 2.704 0 50 FFAA CCc1cc(CN2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)on1 71762674 VEXPVQYYUXZAEE-QGZVFWFLSA-N 374.529 2.536 0 50 FFAA CCCn1ncc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C 72409928 BPDZVUQAMDVVOC-UHFFFAOYSA-N 364.453 2.507 0 50 FFAA Cc1ccc(C[C@@H](CO)CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 239882150 DAONPSODHJBUFQ-LJQANCHMSA-N 369.461 2.666 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3c(Cl)cnn3C)CC2)OC1=O 77470571 NKMULZOCMBXYIA-GFCCVEGCSA-N 368.865 2.689 0 50 FFAA C[C@]1(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)CCCO1 77321207 IXMDFUYOJYLILQ-HXUWFJFHSA-N 372.465 2.612 0 50 FFAA Cc1cnn(CC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 72475127 MQNZGBPCZABLAC-UHFFFAOYSA-N 367.371 2.721 0 50 FFAA O[C@H]1[C@H](n2cc(-c3ccsc3)nn2)c2ccccc2C12CCNCC2 72154013 RDWDDGOWCVOXFT-MSOLQXFVSA-N 352.463 2.592 0 50 FFAA CC(=O)c1ccc(N2CCC(C(=O)O)(n3ccc(C(C)(C)C)n3)CC2)nc1 72462834 GRXKCEJBJKGKNB-UHFFFAOYSA-N 370.453 2.859 0 50 FFAA CCN1CC[C@H](NC(=O)N(CCc2ccccc2)Cc2cccnc2)C1 413849058 XFBREMIOQDMZEF-FQEVSTJZSA-N 352.482 2.930 0 50 FFAA O=C(CCc1nc(-c2ccco2)no1)NCCc1noc(C2CCCC2)n1 221342822 YCCRRAKHIDZWMN-UHFFFAOYSA-N 371.397 2.662 0 50 FFAA O=C(CCSCc1ccccc1)N1CCCO[C@@H](Cn2cccn2)C1 221238714 HULGDWDAXFWIAJ-GOSISDBHSA-N 359.495 2.824 0 50 FFAA COc1cc2c(cc1C(=O)N1CCN(c3ccccc3)C(=O)C1)CCC2 82134694 XJBNEYIHSTUXBQ-UHFFFAOYSA-N 350.418 2.673 0 50 FFAA Cc1noc(C)c1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 220125074 JNSVJPLVXLEOCP-RTBURBONSA-N 358.438 2.715 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCC[C@@H]1CO 426693859 UENDCWIHDOQYMI-MRXNPFEDSA-N 373.419 2.694 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)n(C)n1 82087639 XAAOHBMMPWYXSA-GOSISDBHSA-N 356.470 2.835 0 50 FFAA CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(OC)cc4)C(=O)[C@H]13)O2 239164865 NBEGDXYKLUBHOD-WIRSXHRWSA-N 371.433 2.715 0 50 FFAA O=C(Nc1cccc(CNCc2cnc3ccccn23)c1)[C@H]1CCCO1 238138945 LYTCPNRFXYZZOU-GOSISDBHSA-N 350.422 2.742 0 50 FFAA CC(=O)c1cc(CN2CCC(N3CCC[C@@H](C(=O)O)C3)CC2)cs1 97087970 PDFUDFPAIRBTKR-OAHLLOKOSA-N 350.484 2.712 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(CN2CCCC2)cc1 95387447 YLLMXDYEAHVAEO-LJQANCHMSA-N 357.498 2.755 0 50 FFAA Cc1cc(C)n(-c2ccccc2NC(=O)NCc2nnc3n2CCCC3)n1 96165428 QICDMCUWERFOFM-UHFFFAOYSA-N 365.441 2.739 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 91693704 TZPRRAJRHUXIPF-INIZCTEOSA-N 365.437 2.951 0 50 FFAA CN(C)c1ccccc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91518948 PUJQHMIJIYFCHZ-DLBZAZTESA-N 356.397 2.832 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccsc1)C2 91713335 KNQMKFGIVRWIGS-DZGCQCFKSA-N 359.451 2.616 0 50 FFAA CC[C@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)n1cccn1 91746150 FHVYSCUQEXWBNN-OAHLLOKOSA-N 355.467 2.793 0 50 FFAA CCCCOc1cc(F)ccc1[C@H](C(=O)O)N1CCCN(C(C)=O)CC1 95366687 GHAUNGCAEOPBIK-GOSISDBHSA-N 366.433 2.685 0 50 FFAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ccc3cccc(Cl)c3n1)CC2 95360477 GWGQICTURIMLCQ-ZDUSSCGKSA-N 373.840 2.790 0 50 FFAA CCOc1ccc(-c2nc(CC(=O)N3CC[C@@H](C(=O)O)C3)cs2)cc1 236869711 HUILBNKVXUANDI-CYBMUJFWSA-N 360.435 2.684 0 50 FFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H](O)[C@@H](N3CCCCC3)C2)c1 97547750 ZHXILHZWTXSGFM-PMACEKPBSA-N 354.498 2.725 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)CN1CCCCCCCC1=O 95522175 AKLMLQKKIRNHRM-UHFFFAOYSA-N 362.474 2.868 0 50 FFAA COc1ccc(CN(C)C(=O)c2ccc(-c3nc[nH]n3)cc2)cc1OC 97425556 JLROLPNOLSBWMV-UHFFFAOYSA-N 352.394 2.761 0 50 FFAA O=C(N[C@@H](CO)c1ccccc1)c1n[nH]c2ccc(Br)cc12 182580807 KUPSKOAVLXPJNU-AWEZNQCLSA-N 360.211 2.789 0 50 FFAA CN(CCC(=O)Nc1nnc(C2CC2)s1)C[C@H]1Cc2ccccc2O1 244899904 ZSOYYNQDDRRZMI-CQSZACIVSA-N 358.467 2.680 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCOc2ccccc21 299749914 MAAPOKSEWXCILR-QAPCUYQASA-N 351.402 2.981 0 50 FFAA CCc1nc(C)c(CNC(=O)[C@@H](C)Sc2nc(C)cc(O)n2)s1 253536074 GWRBPWDYUSVHDX-SNVBAGLBSA-N 352.485 2.615 0 50 FFAA COc1cc(N2CCN(Cc3cccc(-c4cccnc4)c3)CC2)ncn1 184439083 CRQLEEUUBVXYNT-UHFFFAOYSA-N 361.449 2.869 0 50 FFAA CCCOc1ccccc1CNC(=O)N1CCN(c2ccncc2)CC1 534577749 XFGRUYUFGJWBNP-UHFFFAOYSA-N 354.454 2.902 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)NCc1noc(-c2ccco2)n1 534639448 ZHGUQFIBAODJPE-UHFFFAOYSA-N 357.370 2.538 0 50 FFAA O=C(NCCCN1CCC(O)CC1)[C@]1(c2ccccc2)CC12CCCC2 299787875 SNVWCEUINWHOCM-JOCHJYFZSA-N 356.510 2.852 0 50 FFAA CC[C@@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC 299775927 LWUMKSVSPCKGKN-OAHLLOKOSA-N 371.420 2.955 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1C 299782070 MCYHHVGIKIFNGI-HNNXBMFYSA-N 365.437 2.897 0 50 FFAA C=CC(=O)N(C)CC(=O)NC[C@H](c1ccc(F)cc1Cl)C(F)(F)F 1875380214 IQFNIGKWAUFDHT-LLVKDONJSA-N 366.742 2.886 0 50 FFAA Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3nc(=N)[nH][nH]3)c2c1C 1875359399 CCJDJWSGAQWIHI-UHFFFAOYSA-N 366.454 2.537 0 50 FFAA C[C@@]1(NC(=O)CC2CC2)CCCN(C(=O)C2(c3ncccc3F)CC2)C1 1875406816 MXFXIHXKYUZYKB-LJQANCHMSA-N 359.445 2.550 0 50 FFAA Cc1nnc(C[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(C)c(F)c3)C2)o1 952889841 IEHHJVCFXOIJJB-OLZOCXBDSA-N 353.419 2.515 0 50 FFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CCOCc1ccccc1 952889963 JEOWTBYSBNYQNT-INIZCTEOSA-N 357.410 2.768 0 50 FFAA CC(C)(C(=O)NC[C@H](NCc1ccccc1)c1ccco1)c1cncnc1 1875284213 OVBQVFBJHBPEQI-SFHVURJKSA-N 364.449 2.995 0 50 FFAA CCc1ncc(S(=O)(=O)N(C)CCCOc2ccccc2Cl)[nH]1 952973021 JSAMIQRRUPKKCH-UHFFFAOYSA-N 357.863 2.715 0 50 FFAA Cn1cc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c([C@@H]2CCOC2)n1 275242407 FMANKHHCXBTZDC-GFCCVEGCSA-N 368.412 2.743 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c(C)noc1C 275560789 WIEPRGWGNSOMLI-KBPBESRZSA-N 366.462 2.741 0 50 FFAA CNC[C@H]1CCCN1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170048547 LARDVJAOYVEAAL-GFCCVEGCSA-N 354.332 2.579 0 50 FFAA CS(=O)(=O)c1ccccc1N1CCCN(c2nc3ccccc3[nH]2)CC1 170642856 JHYVFFQTWZZQJD-UHFFFAOYSA-N 370.478 2.683 0 50 FFAA O=C(NS(=O)(=O)c1cc(Br)cs1)[C@@H]1CC[C@@H]2C[C@@H]2C1 408493542 CDRFXIBAQLOBGW-IWSPIJDZSA-N 364.286 2.752 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)o1 1529098564 IHXHJKSMWZLTKA-MOPGFXCFSA-N 356.422 2.581 0 50 FFAA CC(C)(C)CN1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 12302788 ACHUOHJFFTWAHC-SFHVURJKSA-N 372.557 2.920 0 50 FFAA CC[C@H](O)C1CCN(C(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 12709679 BQEDNZIZNUDLIO-AIADIJKESA-N 354.454 2.615 0 50 FFAA CC(C)/C=C/C(=O)N1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 12747358 NPKRXVUWDAJAKJ-PDFOZTTASA-N 363.546 2.770 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CN(C)Cc3ccc(C)o3)C2=O)c1 15080399 WPSTVHNUTYGOBZ-NRFANRHFSA-N 356.466 2.882 0 50 FFAA COc1ccc([C@H]2CC(=O)c3cn4nc(SC)nc4nc3C2)c(OC)c1 19816899 SKJGJVBXMJSGOZ-SNVBAGLBSA-N 370.434 2.776 0 50 FFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCC(O)(c2ccccn2)CC1 19838847 VOMGCYQKMPTLSO-CQSZACIVSA-N 357.479 2.691 0 50 FFAA Cc1ccc2oc(N3CCC(c4nc(C)nn4[C@H]4CCOC4)CC3)nc2n1 1857668437 LKIJKRRQROSGTK-HNNXBMFYSA-N 368.441 2.777 0 50 FFAA Cc1c(Cl)c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)nn1C 1857673334 NVELKQUXBAUPTF-YRNRMSPPSA-N 373.884 2.980 0 50 FFAA Cc1cc2cccc(C(=O)N3C[C@@H]4[C@H](CN(C)C)[C@H]5CC[C@]4(C3)O5)c2o1 1857727278 NTZZGTFSPLIDRZ-XKGFGPFHSA-N 354.450 2.922 0 50 FFAA C[C@@H](C(=O)O)N(C)C(=O)[C@H](c1cccc(Br)c1)N1CCCC1 408513538 VCRSHTUKJFJQGO-FZMZJTMJSA-N 369.259 2.518 0 50 FFAA CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F 4271883 DTMNKJCURJQDPS-UHFFFAOYSA-N 358.479 2.812 0 50 FFAA C[C@H]1OCC[C@@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 331740546 XBYYNZUKXAONDB-SKDRFNHKSA-N 366.215 2.540 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCNC1 333852115 NTNJEKVWNPMPCZ-TZMCWYRMSA-N 358.891 2.501 0 50 FFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cnccn4)C3)C2)c1 12478367 VFENEHUNINHEJR-NRFANRHFSA-N 366.465 2.614 0 50 FFAA COc1ccc(N(C)C(=O)CCN2C(=O)COc3ccccc32)cc1F 159490991 REVQKIZAXLEDGC-UHFFFAOYSA-N 358.369 2.613 0 50 FFAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCC[C@H]1c1ccsc1 391831868 HDYKCKDXOPZRRL-ZDUSSCGKSA-N 367.448 2.981 0 50 FFAA C[C@H](c1nccn1-c1ccccc1)N1C(=O)N[C@@H](CC2CCOCC2)C1=O 924879960 BGBDQCZYUGQCCI-PBHICJAKSA-N 368.437 2.670 0 50 FFAA COc1ccc(F)cc1-c1cncc(CN2CCC(NC(C)=O)CC2)c1 929420178 VOLXQBNVKCBDOF-UHFFFAOYSA-N 357.429 2.997 0 50 FFAA O=S(=O)(c1cc(F)cc(F)c1)N(Cc1ccccc1)[C@@H](CO)C1CC1 119137212 LZLSAUNWHOFVPA-SFHVURJKSA-N 367.417 2.927 0 50 FFAA NC(=O)COc1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)cc1 2325733315 ULALMGFTQRLIEP-UHFFFAOYSA-N 360.826 2.888 0 50 FFAA CCN1CCN(CC)CCN(CCCc2nc(-c3ccccc3)no2)CC1 2325765076 YLUUVVXDSVNGDM-UHFFFAOYSA-N 371.529 2.629 0 50 FFAA O=C1COc2cccc(NS(=O)(=O)c3sccc3C3CC3)c2N1 2325772289 QWRDYTDMJLAQCW-UHFFFAOYSA-N 350.421 2.757 0 50 FFAA CO[C@H]1CCC[C@H]1S(=O)(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 2325819265 QGTKBTDVKTWIDG-ZWKOTPCHSA-N 363.483 2.667 0 50 FFAA CN1Cc2ccccc2[C@H]1CNC(=O)c1cnn(-c2cccc(F)c2)c1 2325856778 BPXPQANXMZNHLW-LJQANCHMSA-N 350.397 2.928 0 50 FFAA CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccccc2)CC1 1134242 CYUZREYGHZTQRP-UHFFFAOYSA-N 366.425 2.848 0 50 FFAA Cc1ccc(CNC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 1134453 ZZIABSXMTCASRU-SFHVURJKSA-N 350.418 2.932 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc2sc(=N)[nH]c12 2356138328 JGDXKPNKVGFJJC-LJQANCHMSA-N 367.478 2.861 0 50 FFAA COc1ccc(CCNC(=O)C[C@@H]2COc3ccccc3O2)cc1OC 2845801 WCJZFFAINUVQCS-OAHLLOKOSA-N 357.406 2.593 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3OC)n2)cc1 3055707 ZSFIUDFHLAIFEX-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2ccc(F)cc2F)C1=O 2356165963 LUOKAHOVVJOCHQ-QGZVFWFLSA-N 372.437 2.521 0 50 FFAA CC(C)(CNC(=O)NC[C@H]1CNCCO1)c1ccc(Cl)c(Cl)c1 417382189 JEYSMYXGFAGCIM-GFCCVEGCSA-N 360.285 2.559 0 50 FFAA CCCc1cnc(C)nc1N1CCN(Cc2ccccc2F)[C@@H](CCO)C1 106947461 YXJNFJHQEZBJTJ-IBGZPJMESA-N 372.488 2.950 0 50 FFAA O=C(CCc1cn[nH]c1)N1CCC(n2cc(-c3ccsc3)nn2)CC1 20138226 PYRCFBIMTPOIND-UHFFFAOYSA-N 356.455 2.526 0 50 FFAA O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CS(=O)(=O)c2ccccc21 118633272 BVTYDCHLXXRMGI-GOSISDBHSA-N 355.459 2.753 0 50 FFAA COc1cccc(F)c1C(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 1506405863 DCFBWBFZMVLROW-SNVBAGLBSA-N 357.341 2.531 0 50 FFAA COCCn1cc([C@H]2[C@H](CNCc3ccco3)CC(=O)N2C(C)(C)C)cn1 328604189 ITTIMWLOBJMFDD-HNAYVOBHSA-N 374.485 2.600 0 50 FFAA Cc1noc(C)c1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328784682 IJBSHEJRTNIURT-AUUYWEPGSA-N 356.426 2.821 0 50 FFAA O=C(CCc1ccccc1)N1N=C(c2cccnc2)C[C@]1(O)C(F)(F)F 879328 IEGLOEMXURKORK-KRWDZBQOSA-N 363.339 2.902 0 50 FFAA CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)C2)no1 331475562 SIVNBIPMPRSLHP-CYBMUJFWSA-N 363.849 2.588 0 50 FFAA CN(C)c1cccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 152579515 PDWZZSVKCLKMDZ-HXUWFJFHSA-N 352.438 2.853 0 50 FFAA Cc1c(C(=O)N2CCC(c3cnn(C)c3)CC2)cnn1Cc1ccccc1 123374359 ZGMLNMRZZLOOAW-UHFFFAOYSA-N 363.465 2.993 0 50 FFAA COCC1(C(=O)N2CCC[C@H](c3cc(N4CCCC4)nc(C)n3)C2)CCC1 72428405 FKXAUTGUNRUWSQ-KRWDZBQOSA-N 372.513 2.908 0 50 FFAA CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccccc3)nn2)C[C@@H]1C(=O)O 71257081 ADNVHPPFKNQHHE-DZGCQCFKSA-N 358.398 2.580 0 50 FFAA Fc1ccccc1[C@H](CNc1ncnc2c1CCNCC2)N1CCCC1 72469456 CILKAICKQTXQEM-IBGZPJMESA-N 355.461 2.553 0 50 FFAA c1ccc(Cn2cccn2)c(CN2CCCC[C@@H]2CN2CCOCC2)c1 77471960 IURCHSIRQBCKNG-OAQYLSRUSA-N 354.498 2.618 0 50 FFAA CCCCN1C[C@]2(CCCN(C(=O)c3cnc(C4CC4)nc3)C2)CCC1=O 77378545 VSAAQOCCQICEID-NRFANRHFSA-N 370.497 2.999 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 72478812 CTYFEKMTIHUMAL-CQSZACIVSA-N 374.445 2.974 0 50 FFAA Cc1ccc([C@](O)(CC(=O)N[C@@H]2c3ccccc3C[C@H]2O)C(F)(F)F)o1 245601379 PCVUCVDAXNIMQQ-KBRIMQKVSA-N 369.339 2.503 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCc1cnc(C)c(C)c1 72419318 PDAZHARJCUGPKH-LJQANCHMSA-N 358.530 2.511 0 50 FFAA Cc1ccccc1[C@H](C(=O)N(C)Cc1nc(-c2ccccn2)no1)N(C)C 82107139 YWOPPBBHZDARET-GOSISDBHSA-N 365.437 2.701 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=S)N2C[C@@H](C)C[C@H](C)C2)cc1 17073530 RATRCSPQVNQSAR-STQMWFEESA-N 355.529 2.660 0 50 FFAA Cc1c(S(=O)(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)cnn1C 292504917 GGZPTMHMAFYSRD-LBPRGKRZSA-N 359.373 2.973 0 50 FFAA Cc1cc(C(=O)N2CC(=O)N(C)c3ccccc32)c2cnn(C(C)C)c2n1 178201410 LMMVZWZLKSLDAR-UHFFFAOYSA-N 363.421 2.944 0 50 FFAA CC[C@@H](Cn1ccnc1)NC(=O)N(C)Cc1nccn1Cc1ccccc1 426544838 OHGRQNJTBHGUTF-SFHVURJKSA-N 366.469 2.748 0 50 FFAA O=C(CSc1ccncc1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 92064922 WAAIBRHMIIJQJX-FQEVSTJZSA-N 373.522 2.815 0 50 FFAA CCOc1ccc(C(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)cc1 91893139 ILLAJPMVEAQGFE-UHFFFAOYSA-N 374.481 2.577 0 50 FFAA C[C@@H]1CN(Cc2ccccc2Cn2cccn2)CC[C@@]1(O)C1CCOCC1 92003040 XUQFTPCTEPMANL-GCJKJVERSA-N 369.509 2.931 0 50 FFAA O=C1NC2(CCN(CC(=O)N3CCCCCC3)CC2)C[C@H]1c1ccccc1 95379023 GLQCPRYFKBHPLK-IBGZPJMESA-N 369.509 2.527 0 50 FFAA COc1cccn(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1=O 95524040 OPNWWQPGYJSFLG-AWEZNQCLSA-N 369.446 2.830 0 50 FFAA CC[C@@H](NC(=O)CCc1n[nH]c(C)c1C)c1ccc(S(C)(=O)=O)cc1 97642024 MIWBIHRSENNDOF-MRXNPFEDSA-N 363.483 2.630 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCc1ccc(N2CCCC2=O)cc1 91915248 FGMJFKGNPSUKJQ-UHFFFAOYSA-N 374.444 2.993 0 50 FFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1c[nH]c2c(F)cccc2c1=O 97570900 LXCRAFOBMYFGKM-QGZVFWFLSA-N 370.380 2.569 0 50 FFAA COCc1nc(CN2CCC[C@H](c3nc(-c4ccccc4)no3)C2)no1 252488387 IQVZZSVOFQTFOR-AWEZNQCLSA-N 355.398 2.646 0 50 FFAA COC1CCN(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 534658173 OQDCNVMBBVTIMG-CQSZACIVSA-N 352.500 2.572 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72151049 YDVPNAFJWXPNDM-OAQYLSRUSA-N 373.416 2.598 0 50 FFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccc(C2=CCCS2(=O)=O)c1 299791432 FZUSOBKKZIVRKU-UHFFFAOYSA-N 373.478 2.501 0 50 FFAA CN1C[C@H](NC(=O)Nc2ccc(OCc3cccs3)cc2)C[C@H]1CO 299783398 XUUDDCUWYNQTJO-CABCVRRESA-N 361.467 2.514 0 50 FFAA O=S(=O)(NCc1ccccc1)N1CCC[C@H](Oc2ccc(F)cc2)C1 71763716 UBVGJCHFVQLUBO-SFHVURJKSA-N 364.442 2.704 0 50 FFAA COc1ccc(-n2nc(C)cc2NC(=O)NCCc2c(C)n[nH]c2C)cc1 299784468 TXALAALJYCAFDG-UHFFFAOYSA-N 368.441 2.893 0 50 FFAA Cc1cc(C)cc(CSCC(=O)N(C)C2CCS(=O)(=O)CC2)c1 299757087 MODLSVOWFGPQSS-UHFFFAOYSA-N 355.525 2.572 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3cc(C)c4nccn4c3)c2)C1 584894315 GLWWMLLLXHYCLU-LJQANCHMSA-N 362.433 2.660 0 50 FFAA CCCn1nccc1S(=O)(=O)N[C@@H](C)c1ccccc1-n1cccn1 670465569 MBUKDPLQUQWXRX-AWEZNQCLSA-N 359.455 2.518 0 50 FFAA CCN1C(=O)CC[C@H](CN[C@@H](C)c2cncc(F)c2)[C@H]1c1cnn(C)c1 952887248 MEIQKYLBABDTHL-KSMMKXTCSA-N 359.449 2.605 0 50 FFAA CON1CCC(Cc2nc(-c3ccc(N4CCCC4=O)cc3)no2)CC1 1875291444 ZFXVSXVIDJQQLU-UHFFFAOYSA-N 356.426 2.679 0 50 FFAA O=C(N[C@@H](CO)CCc1ccncc1)c1ccc(CCc2ccccc2)[nH]1 1875325386 MNHCEHGRVVPDGR-HXUWFJFHSA-N 363.461 2.918 0 50 FFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1CCN(C(=O)C4CCC4)CC1)(C3)C2 952984046 NCBUWUXBHVMCOP-IDZYALCFSA-N 374.525 2.569 0 50 FFAA O[C@@H]1C[C@@H](Nc2cc(N3CCc4ccccc43)ncn2)C12CCOCC2 896724145 VEVIXUSJLDZKNJ-IAGOWNOFSA-N 352.438 2.513 0 50 FFAA Cc1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C(=O)O)cc2)c(C)o1 1565530721 MHBVKTDFOBOSIG-IRXDYDNUSA-N 359.378 2.561 0 50 FFAA COC[C@H]1[C@H](Nc2nc3c(c(C(F)(F)F)n2)CCCC3)[C@H]2CCO[C@H]21 1074588391 CIWCFMVEHGYFRQ-ZMJPVWNMSA-N 357.376 2.836 0 50 FFAA CC(C)n1c(S)nnc1CNC(=O)c1ccc([S@](=O)C(C)C)cc1 170644231 FFWIXQSSOZDOHR-XMMPIXPASA-N 366.512 2.594 0 50 FFAA Cc1ccc(-n2nnc(C(=O)NC3CCC(C(=O)O)CC3)c2C2CC2)cc1 170672335 DNPVTZJXBGGYDS-UHFFFAOYSA-N 368.437 2.826 0 50 FFAA Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 171462947 KPFGEHIUIJGUOB-UXHICEINSA-N 367.497 2.931 0 50 FFAA O=C(CCC(=O)c1cccs1)NS(=O)(=O)c1cccc2cnccc12 109414870 GQEOXOGCTAAHKX-UHFFFAOYSA-N 374.443 2.764 0 50 FFAA O=C1CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](Cc2ccccc2)N1 1772710260 TXIHBXGLDXOAHJ-ONUXSRJRSA-N 367.493 2.708 0 50 FFAA O=C(c1cnccn1)N1CCCN(Cc2cncn2C2CCCCC2)CC1 1772708460 CPKYGISRTFTEKC-UHFFFAOYSA-N 368.485 2.526 0 50 FFAA O=C(c1ccc2ncccc2c1)N1CCCN(CC[C@@H]2CCOC2)CC1 1772701071 MGXLDANENLBQJA-QGZVFWFLSA-N 353.466 2.809 0 50 FFAA CCOC(=O)N1CCC(N2CCC(CCC(=O)N3CCCC3)CC2)CC1 11812851 RUPVGTWZNZUHML-UHFFFAOYSA-N 365.518 2.722 0 50 FFAA COc1cccc(CNCC[C@H]2CCC(=O)N2Cc2cc(C3CC3)[nH]n2)c1 12150825 RWKFEKWOGSCPLM-GOSISDBHSA-N 368.481 2.967 0 50 FFAA COc1cccc(CN2CCC[C@@](O)(CN3CCC(C(C)C)CC3)C2=O)c1 12472306 HHBYBYAUYIPEKS-JOCHJYFZSA-N 374.525 2.917 0 50 FFAA COc1ccc(C(=O)N[C@H](C)C2CC2)cc1OC1CCN(C(C)=O)CC1 12595870 AELZLGXRIMSMKA-CYBMUJFWSA-N 360.454 2.613 0 50 FFAA COc1ccc(CN2CCC(CCC(=O)N3CCOCC3)CC2)c(F)c1 14970834 VFFTWXCBAVMQLM-UHFFFAOYSA-N 364.461 2.685 0 50 FFAA COc1cccc(CCC(=O)N2CCC(=O)N(Cc3ccccc3)CC2)c1 14972860 YSJQRLYVYGSRCA-UHFFFAOYSA-N 366.461 2.889 0 50 FFAA O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(Br)cc1 19371389 WRAJUVCFXVFUAZ-MRXNPFEDSA-N 373.250 2.913 0 50 FFAA CCc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)O)C1=O 19878594 CKYQUZSEGANOPB-CQSZACIVSA-N 356.403 2.766 0 50 FFAA O[C@H]1C[C@@H]2CN(Cc3ccccc3OCCCCn3ccnc3)C[C@@H]2C1 1857685231 FBASCJSDPRJTBM-PMOLBWCYSA-N 355.482 2.945 0 50 FFAA Cc1cc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)nc2ccc(Cl)cc12 1857685289 QVLMTZJMXLYWTP-QFBILLFUSA-N 359.857 2.664 0 50 FFAA O=C(N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1ccc(C(F)(F)F)cc1 1857694313 KOYCVHZLIAEFPP-OWCLPIDISA-N 354.372 2.687 0 50 FFAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cnc(O)n(C)c1=O 408095670 PBVAJGOBXOYTQV-MRVPVSSYSA-N 368.220 2.552 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccn1)C2 222156467 FNLPAQHUWOSANR-AEFFLSMTSA-N 369.440 2.592 0 50 FFAA COCC[C@H]1CCCCN(S(=O)(=O)c2cc(OC)cc(OC)c2)C1 332243175 WFKUCCHEYCVBCE-CQSZACIVSA-N 357.472 2.531 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C1CCOCC1 238104598 LPGSFIMUFIMLKY-RYUDHWBXSA-N 355.793 2.675 0 50 FFAA O=C(c1cccc2cnccc12)N1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 247448617 ZEGFTFIMFVDRAG-AVRDEDQJSA-N 374.396 2.938 0 50 FFAA CCc1ccc(CN2C[C@H]3c4cccc(OC)c4OC[C@@]3(C(=O)O)C2)o1 248183428 FWNAXYUGKXHWIE-JXFKEZNVSA-N 357.406 2.913 0 50 FFAA CCn1cnc2c(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)ncnc21 264698272 PQWPVWXRCHWVSF-HNNXBMFYSA-N 366.425 2.576 0 50 FFAA CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cn3ccsc3n2)C1 265569989 OKJWHQBVZQGONQ-CQSZACIVSA-N 358.471 2.701 0 50 FFAA O=C([C@@H]1CCn2nncc2C1)N1CCC[C@H](c2ccc3c(c2)CCC3)C1 2325810887 MGZHWRVZGWKILQ-MOPGFXCFSA-N 350.466 2.735 0 50 FFAA CCOc1ccc([C@H](NC(=O)c2cc(O)nc(CC(C)C)c2)C(=O)O)cc1 2325851908 MGXYMLWIGUJEIY-SFHVURJKSA-N 372.421 2.940 0 50 FFAA O=c1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)nc2sccn12 23095800 KEROOWQJUQPQSR-UHFFFAOYSA-N 374.897 2.727 0 50 FFAA COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(C)=O 1205034 VRISSQZIYAXRDW-UHFFFAOYSA-N 368.386 2.602 0 50 FFAA Cc1nc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)cn1C 2356139327 PJCKHJUAXRCESI-OAQYLSRUSA-N 352.482 2.886 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cccnc2)C[C@H]1Nc1ncccn1 2356148739 PPEDOUWRUUHRCD-RCCFBDPRSA-N 369.469 2.564 0 50 FFAA COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cccc(-c3cccc(C)c3)c1)C2 2356152688 WBZZTJGSNOEYQW-UGKGYDQZSA-N 365.429 2.924 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1 2998373 HTEIQURSVNKYTC-UHFFFAOYSA-N 364.511 2.941 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ccc(C(F)(F)F)cc1 2356162539 MLILYZLVHFLLSM-QGZVFWFLSA-N 356.388 2.655 0 50 FFAA COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC[C@@H]2CCCO2)cc1 4005790 TYOHTRVRUGQOHX-KSZLIROESA-N 359.422 2.938 0 50 FFAA CCOC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 6314774 GJLAJLGKXBTJNE-UHFFFAOYSA-N 353.484 2.884 0 50 FFAA Cc1cc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)no1 6703175 CZZPPPFJIXCACK-UHFFFAOYSA-N 364.405 2.724 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100621861 JSQGFGJIHOTLSS-HRCADAONSA-N 366.914 2.859 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCCN(c2ccncc2)CC1 55244656 BGJANONNGQHWKL-LJQANCHMSA-N 355.438 2.737 0 50 FFAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 282772383 QYIHGONLYJTRAS-LTZCYQRMSA-N 369.387 2.775 0 50 FFAA O=C(CN1CCN(Cc2ccco2)CC1)Nc1ccc(F)c(Cl)c1 20479648 NXOKQLUOABAMSF-UHFFFAOYSA-N 351.809 2.828 0 50 FFAA CCOC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)[C@H](C#N)[C@H]1c1ccccc1 25691960 LOACLDDBDOFPHY-RQGSJKACSA-N 363.413 2.950 0 50 FFAA CC[C@@H](CO)N(Cc1ccsc1)Cc1cn(CC(N)=O)c2ccccc12 55344200 LDEFQKQGXFLEBY-KRWDZBQOSA-N 371.506 2.961 0 50 FFAA O=C(NCc1ccon1)c1ccc([C@@H]2CCCN2C(=O)c2ccon2)s1 20637079 YYERXEXBXUKMNM-ZDUSSCGKSA-N 372.406 2.631 0 50 FFAA COC(=O)[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3ccccc3)c2)CN1C 65435310 XHQZRNRQTQFXKW-YJBOKZPZSA-N 369.421 2.846 0 50 FFAA O=C(CSc1ncn[nH]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708450 DFIYJZJKOPIVNX-GFCCVEGCSA-N 373.265 2.804 0 50 FFAA COCC1(C(=O)NCc2cccnc2N2CCc3ccccc3C2)CC1 67675592 FYCWGCNHOKYOLW-UHFFFAOYSA-N 351.450 2.687 0 50 FFAA CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O 95704994 ZZMKOZNTEJVKRY-YJUORNCYSA-N 350.455 2.905 0 50 FFAA in-vitro O=C(c1csc(O)n1)N1CCN(C(=O)c2cc3ccccc3s2)CC1 473236587 FIKBFXKYFGBRTA-UHFFFAOYSA-N 373.459 2.662 0 50 FFAA O=C(c1ccc(-c2ccc(F)cc2)nc1)N1CCC(N2CCOCC2)CC1 67854871 VNEKSIGBSBLILP-UHFFFAOYSA-N 369.440 2.825 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)N1CCN(c3ccc(F)cn3)CC1)O2 476588716 PQZUXYKMTYBQGV-GOSISDBHSA-N 355.413 2.572 0 50 FFAA O=C(NCc1noc([C@H]2CCCO2)n1)c1ccc(CN2CCCCC2)cc1 65409074 ZXTQNVVNZDPGKA-QGZVFWFLSA-N 370.453 2.837 0 50 FFAA Cn1nc(-c2ccccc2)c2c(NC(=O)c3ncc(F)cc3F)[nH]nc21 429782650 JOMCJWNFIMCEHG-UHFFFAOYSA-N 354.320 2.889 0 50 FFAA Cn1nccc1C(=O)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1 2781465 UOAGJTANZOOEIY-UHFFFAOYSA-N 371.269 2.613 0 50 FFAA Cc1cccn2c(CC(=O)NCc3nccn3Cc3ccccc3)cnc12 65493414 HYDOMGFPKMGBSE-UHFFFAOYSA-N 359.433 2.746 0 50 FFAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(c2ccccc2)CC1 4904294 OVEJTYRFUUIEPL-LJQANCHMSA-N 353.397 2.668 0 50 FFAA aggregator O=C(NCc1ccncc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 36360659 IWSSQQFCVMLQCS-ZDUSSCGKSA-N 374.238 2.513 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(Cc2cnc(C)s2)CC1 328629097 HXZHYHQVLMXADV-QGZVFWFLSA-N 359.499 2.645 0 50 FFAA COc1cc(F)c(C(=O)NCCc2noc(C3CCCC3)n2)c(F)c1 219927802 JVKZXXAWKYLJGN-UHFFFAOYSA-N 351.353 2.987 0 50 FFAA O=C([C@@H]1CCc2ccccc21)N1CCOC[C@H]1c1ncnn1-c1ccccc1 328893145 UHRSRBCRSMJEAY-UXHICEINSA-N 374.444 2.897 0 50 FFAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCN(c2ccc(O)cc2)CC1 328882442 MUJKUNHIMOXLPV-GOSISDBHSA-N 352.434 2.859 0 50 FFAA CC(=O)c1cc(C(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)[nH]n1 72428874 NLUTVRHYYOWODJ-LBPRGKRZSA-N 369.450 2.621 0 50 FFAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1 71405716 XUVDZYOUCNKUBU-RTBURBONSA-N 368.481 2.528 0 50 FFAA CN1CCN2CCN(Cc3ccccc3OCc3ccccc3)C[C@@H]2C1 215700029 VMCOBNFWJVQFFZ-NRFANRHFSA-N 351.494 2.697 0 50 FFAA O[C@@H](CNCc1c[nH]nc1-c1ccsc1)CN1CCc2ccccc2C1 436268979 JCOBDHXYLNHYMT-IBGZPJMESA-N 368.506 2.647 0 50 FFAA CN(CC(=O)O)c1ncc(CN2CC[C@H](c3ccccc3Cl)C2)cn1 215179760 SSSIXYZOMFQHSI-AWEZNQCLSA-N 360.845 2.640 0 50 FFAA COCc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)o1 72171552 KBAOCGKCBGSHKC-GOSISDBHSA-N 354.450 2.741 0 50 FFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C)c2ccc(F)cc21 286721817 JNUPPQYHRCUGFA-RHSMWYFYSA-N 358.417 2.603 0 50 FFAA O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@]1(CO)CCc2ccccc21 128669795 IVEBCKRBBPFLQK-NRFANRHFSA-N 365.433 2.534 0 50 FFAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[C@@H](N)c2ccccc2)C[C@@H](C)O1 237408082 HBEANVDYCULMOO-IZBJGVDFSA-N 359.514 2.567 0 50 FFAA Cc1ccoc1C(=O)N1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 71762908 GFUOZFMMNLIMBI-KRWDZBQOSA-N 373.497 2.527 0 50 FFAA Cc1cccnc1CN1CCN(C(=O)c2ccc3c(c2)CCCO3)CC1 72432923 DOARUBGVVAIJJS-UHFFFAOYSA-N 351.450 2.673 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)c1 72407184 MOYDEURUAZRFMB-GOSISDBHSA-N 367.497 2.739 0 50 FFAA O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)NC1CCCC1 241447008 NQKVSGSTKWYPNM-UHFFFAOYSA-N 351.472 2.972 0 50 FFAA CCn1c(CC2CCN(Cc3ccnc4ccccc34)CC2)n[nH]c1=O 71760373 OQVTUDSDBZOCKJ-UHFFFAOYSA-N 351.454 2.594 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCN(c3cc(C)nc(C)c3)CC2)cs1 77386638 UTKMZBOARQUBHR-UHFFFAOYSA-N 357.479 2.854 0 50 FFAA C[C@@H](C(=O)O)c1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1 263366302 ZXPWSVXEWSPQSB-CYBMUJFWSA-N 354.410 2.520 0 50 FFAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cncnc1-c1ccccc1 289960446 VIYNHHDZJZTSAQ-UHFFFAOYSA-N 373.460 2.933 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2cnc(SC)nc2)CC1 82109027 NCKRVWVTNCMFIO-UHFFFAOYSA-N 359.451 2.891 0 50 FFAA O=C(c1cncc(CC[C@@H]2COc3ccccc3O2)n1)N1CCCCC1 222345962 GYXBSPHGEGXQCR-MRXNPFEDSA-N 353.422 2.875 0 50 FFAA O=C(O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 226087402 ADFGVFHGIGFRKP-VIFPVBQESA-N 352.239 2.620 0 50 FFAA Cc1cc2nc(CCC(=O)N3CCC(c4ncon4)CC3)[nH]c2cc1C 426599458 AZPPXECRGNJOBO-UHFFFAOYSA-N 353.426 2.902 0 50 FFAA CCNc1ccnc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95528454 MIVLDFKACDRSKI-CQSZACIVSA-N 369.498 2.994 0 50 FFAA CC(C)c1cncnc1N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)O)C1 95390388 OAZZSBWEXIBTQO-MGPUTAFESA-N 353.422 2.742 0 50 FFAA O=C(NCCSC1CCCCC1)[C@H]1CC(=O)N(Cc2cccnc2)C1 95520676 IJWHTRHYWBACSX-INIZCTEOSA-N 361.511 2.612 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1cccc(F)c1F)CC2 95500609 CYJZOHZGSZQMEH-UHFFFAOYSA-N 374.435 2.974 0 50 FFAA CN(C)Cc1csc(CN2CCC(N3CCC[C@H](C(=O)O)C3)CC2)c1 97522183 KAKZRSPWHSDMEH-INIZCTEOSA-N 365.543 2.571 0 50 FFAA CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 267649048 INLXAVYIHFIYIY-DOMZBBRYSA-N 364.492 2.674 0 50 FFAA Cc1ccc(NC(=O)CCc2cc3n(n2)CCN(C(=O)NC(C)C)C3)cc1 92061677 IOMAUAAPAHDIHC-UHFFFAOYSA-N 369.469 2.696 0 50 FFAA Cc1nnc(Cc2ccc(NC(=O)NCc3cncn3CC(C)C)cc2)[nH]1 244874784 XHGRWNDMMGEEFK-UHFFFAOYSA-N 367.457 2.878 0 50 FFAA COc1ccc(CNC(=O)C2CCN(Cc3nccn3C3CC3)CC2)cc1 244701319 KECJJWVCMQXVJS-UHFFFAOYSA-N 368.481 2.755 0 50 FFAA CN(CCOc1ccccc1C(=O)O)[C@H]1CCN(c2ccccc2)C1=O 183921719 RLPZWXXVYCJTSH-KRWDZBQOSA-N 354.406 2.501 0 50 FFAA COC[C@](C)(O)C(=O)Nc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1 864096907 STLLZMKPDVQWFH-IBGZPJMESA-N 357.385 2.629 0 50 FFAA c1ccc2c(N3CCN(Cc4cccc5nccnc45)CC3)ncnc2c1 72166694 HYAIEIBADMAHMB-UHFFFAOYSA-N 356.433 2.895 0 50 FFAA Cc1noc(CC2CCN(C(=O)c3ccccc3-n3cccn3)CC2)n1 299775175 INHZRBBHHSXLDL-UHFFFAOYSA-N 351.410 2.659 0 50 FFAA CCOC(=O)C(=O)N[C@H](SCc1ccccc1)C(=O)c1ccccc1 823205447 SIIREBCLNUBTPI-GOSISDBHSA-N 357.431 2.808 0 50 FFAA Cc1ccc(CCC(=O)NC[C@@H]2CCCN(CCn3ccnc3)C2)c(C)c1 827820481 WAQCSEVNAGKQIO-FQEVSTJZSA-N 368.525 2.961 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1noc(-c2ccccc2)n1 823118478 VMPUORSGWLNUOD-SFHVURJKSA-N 362.433 2.800 0 50 FFAA COCc1nc([C@H]2CN(C(=O)c3c(C)cccc3C)C[C@@H]2C2CC2)n[nH]1 952848338 LCVGAMBCLSKBNA-CVEARBPZSA-N 354.454 2.834 0 50 FFAA COc1ccc2nc(N3CCc4c(CC(N)=O)cccc4C3)sc2c1 1875287223 ZINRYQUNARVYSP-UHFFFAOYSA-N 353.447 2.895 0 50 FFAA C[C@@H]1CC[C@H](NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)N1 1875278685 VPTZDIZZXFDEMI-DYVFJYSZSA-N 366.421 2.728 0 50 FFAA O=C(N[C@@H]1CC[C@H](OC(F)F)C1)N1CCN(Cc2cccc(F)c2)CC1 1875363375 FSJVWZGMWKRHSU-CVEARBPZSA-N 371.403 2.813 0 50 FFAA Cc1c(Cl)sc(Cl)c1C(=O)N1CCc2c(O)nc(O)nc2C1 1875310554 ULFAUZHEBURGJA-UHFFFAOYSA-N 360.222 2.763 0 50 FFAA C=CC(=O)NC1(C2CCN(C(=O)c3ccccc3-n3cccn3)CC2)CC1 1875370845 GAKGQQYETBGDAA-UHFFFAOYSA-N 364.449 2.559 0 50 FFAA c1csc(-c2nc(CNCc3cnc(N4CCCCC4)nc3)no2)c1 952960245 RZNWCQSYROFVKH-UHFFFAOYSA-N 356.455 2.868 0 50 FFAA Cc1n[nH]c(C)c1CCCN(C)S(=O)(=O)c1ccc(-c2ccno2)o1 952867103 IOVCCYLBKRCWKR-UHFFFAOYSA-N 364.427 2.528 0 50 FFAA C[C@H](O)c1nc2ccc(NC(=O)c3cnc(-c4cccnc4)nc3)cc2[nH]1 952968646 NRTHXYBQYIUCGX-NSHDSACASA-N 360.377 2.721 0 50 FFAA CCN1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)C2)[C@@H]1C(C)C 888094960 NQNYYCUVHNHGLI-BNDYYXHWSA-N 355.482 2.768 0 50 FFAA COCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cc1 1565526315 SODTYFQXYOFFIS-PMACEKPBSA-N 355.434 2.937 0 50 FFAA O=S1(=O)CCC(CN(CCCO)[C@H]2CCCc3ccccc32)CC1 270522702 UCWFOPSZLUNPBS-IBGZPJMESA-N 351.512 2.573 0 50 FFAA Cn1cc(-c2n[nH]cc2C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 275720188 UFMIFTRQMZNZIW-MRXNPFEDSA-N 371.828 2.677 0 50 FFAA O=C(CN1CC[C@H](n2cncn2)C1)Nc1ccc(Oc2ccccc2)cc1 225417241 HGIXRAYLALQBTE-KRWDZBQOSA-N 363.421 2.956 0 50 FFAA Cn1ncc(C(=O)NC[C@@]2(O)CCc3ccccc32)c1Cc1ccccc1 225548894 DBLUXKQQGMWVIE-QFIPXVFZSA-N 361.445 2.575 0 50 FFAA Cc1ccccc1C1(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)CC1 171029779 AEWSBDWGLPVTAX-UHFFFAOYSA-N 363.461 2.843 0 50 FFAA CC(C)c1nnc2ccc(NC(=O)c3ccccc3N3CCOCC3)cn12 189222158 ZEVTWROSKZNJPN-UHFFFAOYSA-N 365.437 2.942 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cnn2c1NCCC2 1506414430 YVRWWHNLHKXSMA-UHFFFAOYSA-N 350.426 2.682 0 50 FFAA O=C(c1cncc(NC[C@@H](c2ccco2)N2CCCC2)n1)N1CCCC1 1704349698 DDNLRAASMGKZOK-INIZCTEOSA-N 355.442 2.555 0 50 FFAA Cc1ccnn1CCN1CCCN(C(=O)c2sccc2Cl)CC1 1772709979 TZIWBTWSOQEKBU-UHFFFAOYSA-N 352.891 2.755 0 50 FFAA COc1cccc(NC(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)c1 5400066 AOVIZBLBOZVHGK-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1cccc(F)c1 11697780 JGDPVVBXJKSIMV-UHFFFAOYSA-N 352.373 2.596 0 50 FFAA CCCN1CCC(NC(=O)c2cc(COc3cccc(OC)c3)on2)CC1 11773256 PMQDDRFENRJEAJ-UHFFFAOYSA-N 373.453 2.866 0 50 FFAA Cc1cc(C)nc(CCNC(=O)c2cn(CCC3CCCCC3)nn2)n1 12429843 NVOOSYKTWDTEKK-UHFFFAOYSA-N 356.474 2.628 0 50 FFAA O=C(NCc1ccncc1)C(=O)NCC(c1ccccc1)c1ccccc1 13285125 LVIFMKHTRLWRQK-UHFFFAOYSA-N 359.429 2.646 0 50 FFAA CCCCN(C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14543746 AKKLSCCBNDSNOU-OAHLLOKOSA-N 358.486 2.875 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3[C@@H]3CN[C@@H](CO)C3)s2)c1 1857674714 VEGGZKSKTLXWNS-KGLIPLIRSA-N 356.451 2.578 0 50 FFAA CC[C@]12COC(=O)N1CCN(C(=O)c1csc(Cc3ccccc3)n1)C2 1857678968 OJSIZHNGKNFQOI-IBGZPJMESA-N 371.462 2.791 0 50 FFAA CNC(=O)CCCn1cc(-n2ccnc2-c2cc(C)cc(C)c2OC)cn1 1857692620 MTFWQINPEMJLGV-UHFFFAOYSA-N 367.453 2.887 0 50 FFAA Cc1cc(C)cc(CCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1 1857712090 QYSKWBWDXXTLBM-GPQLQYNLSA-N 356.510 2.804 0 50 FFAA Cc1csc(N(C)C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 363615989 WZMRIMXLFFJWFH-MRXNPFEDSA-N 357.479 2.896 0 50 FFAA CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C)c1ccccc1 156870461 SFSWULMRHNVJJP-QZTJIDSGSA-N 354.454 2.958 0 50 FFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1csc(Cc2ccccc2)n1 263160049 IGYMDATVIWUFKE-DZGCQCFKSA-N 358.463 2.988 0 50 FFAA Cc1noc2nc(C(C)C)cc(C(=O)NS(=O)(=O)CC3CCC3)c12 164824565 MILPDCVVXRLKKP-UHFFFAOYSA-N 351.428 2.514 0 50 FFAA Cc1ccc2nc(C(=O)Nc3ccc(Cl)c(CN(C)CCO)c3)cn2c1 861508834 UUCTWUNRNRBDCI-UHFFFAOYSA-N 372.856 2.973 0 50 FFAA COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCCCc2cncs2)cc1 2325755797 PNONFMINRHZADF-DNGMOHDESA-N 374.462 2.846 0 50 FFAA CC(C)(C(=O)N1Cc2ccnn2C[C@@H](CO)C1)c1ccc2ccccc2c1 2325803579 PKCVETKRUFOHSI-INIZCTEOSA-N 363.461 2.965 0 50 FFAA COc1ccc2c(n1)N[C@H](C(=O)Nc1ccc(-n3cnc(C)c3C)cc1)C2 2325840930 YFFJVRYGIYWHST-KRWDZBQOSA-N 363.421 2.868 0 50 FFAA CCCC(=O)NC[C@H](C)CN=c1[nH]c2cccc(Br)c2o1 2325868314 WEXSBLWAXJCAFW-JTQLQIEISA-N 354.248 2.977 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@@H](O)c3ccccc3C)CC2)C1 2325889456 RCSHEFHRPJMVJJ-WIYYLYMNSA-N 370.493 2.692 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)COc3ccc(CO)cc3)cc2)c1C 1468541586 ROSIFXPXGWTBJU-UHFFFAOYSA-N 351.406 2.999 0 50 FFAA O=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1O 1071911 PSQIWRRHPAIPNX-UHFFFAOYSA-N 361.814 2.752 0 50 FFAA Cc1ccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 2813855 PHCUMBWZAWNUJS-UHFFFAOYSA-N 350.484 2.768 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](OC)c2ccccc2)c1 2851219 JZVRSPPFFAEOKC-INIZCTEOSA-N 357.362 2.586 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O 2356163369 AQRLIWJEXICNLV-YOEHRIQHSA-N 373.371 2.712 0 50 FFAA COc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 4535379 MBXXEZUYTNFOFM-QGZVFWFLSA-N 358.825 2.813 0 50 FFAA COC(=O)CNC(=O)CCc1ccc(-c2ccc(Br)cc2)o1 4542724 OEOJWBBXFNENGS-UHFFFAOYSA-N 366.211 2.931 0 50 FFAA O=C(NC1CCN(c2ccc(F)cc2)CC1)C1CCN(C(=O)C2CC2)CC1 53259385 GHWHFJVGQOMDET-UHFFFAOYSA-N 373.472 2.559 0 50 FFAA Cc1ccc(NC(=O)CC(=O)NCCCSc2nnc(C)s2)cc1 55224697 DEFKXNISTBAEGE-UHFFFAOYSA-N 364.496 2.782 0 50 FFAA CC(C)CCN1CCN(C2CCN(Cc3ccco3)CC2)C[C@H]1CCO 104538535 DAWBALZFMIMGAU-HXUWFJFHSA-N 363.546 2.659 0 50 FFAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1nc2c(s1)CCC2 61719193 ZLHGOQYWKFAPAX-UHFFFAOYSA-N 370.409 2.633 0 50 FFAA Cc1nn(C)cc1-c1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O 65453125 XHSGDECIWZZXGP-LBPRGKRZSA-N 355.829 2.842 0 50 FFAA O=C(NCc1ccccc1-n1ccnc1)c1cnc(-c2cccnc2)nc1 67691452 LAJABWBQGHTPHT-UHFFFAOYSA-N 356.389 2.654 0 50 FFAA COC(=O)c1ccccc1N1C(=O)[C@H]2Cc3ccccc3CN2C1=S 2789618 SFBYJLNXIZQAQI-MRXNPFEDSA-N 352.415 2.532 0 50 FFAA CC(=O)N1CCC[C@@H]1C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 128553546 BOBDIDNZMSQSPC-QGZVFWFLSA-N 357.385 2.640 0 50 FFAA Cc1cc(C(=O)NCc2cccnc2Oc2ccc(F)cc2F)nc(N)n1 11937420 DZDQZQQHBCUBID-UHFFFAOYSA-N 371.347 2.763 0 50 FFAA Cc1ccc([C@H]2CCN(C(=O)[C@](C)(O)Cn3ccc(C)cc3=O)C2)c(C)c1 332281854 JPVQZMVLNUWXNY-PGRDOPGGSA-N 368.477 2.541 0 50 FFAA O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1S(=O)(=O)C1CCC(C(F)(F)F)CC1 333812465 IHWDJOFAKVHJGM-DQRRXLOISA-N 367.433 2.970 0 50 FFAA CN(CCO)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 77470047 IOKDPLIXOQEOLW-UHFFFAOYSA-N 371.481 2.783 0 50 FFAA Cn1cc([C@H](NC(=O)Cc2ccccc2C(F)(F)F)C2CC(O)C2)cn1 218795063 DILFVZCHNLCWAG-MKTAYPAQSA-N 367.371 2.610 0 50 FFAA O=C1CC[C@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1 72457845 BOGNKYMVCFINEC-NRFANRHFSA-N 352.482 2.788 0 50 FFAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 453017003 YEQPHXIPOSDYAL-MRTXSQPYSA-N 355.887 2.893 0 50 FFAA COc1cccc(CN2CCC(c3nccn3C)CC2)c1O[C@@H](C)C(=O)O 215193639 DJKJSQVZEBPWMN-AWEZNQCLSA-N 373.453 2.660 0 50 FFAA O=c1n(Cc2ccccc2F)nc(C2CCNCC2)n1Cc1ccccc1 71747431 OXGMCXHSEMNSML-UHFFFAOYSA-N 366.440 2.748 0 50 FFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCc3n[nH]c(C)c3C)C2)c1 77357784 LNFREPNZFZKMJS-OAHLLOKOSA-N 357.454 2.992 0 50 FFAA O=C(NCc1ccnc(O[C@@H]2CCOC2)c1)Nc1nc(C2CC2)cs1 132521361 XGDIPMLDHLAXKW-CYBMUJFWSA-N 360.439 2.905 0 50 FFAA C[C@@H](C(=O)N1CCN(c2ccc(Cl)cn2)CC1)n1cnc2ccccc21 77503618 PRVYXDRJMTVDNO-AWEZNQCLSA-N 369.856 2.995 0 50 FFAA Cc1cc(CNc2ccc(C(=O)NCC[C@H]3CCCCN3C)cn2)no1 15066177 XQPRQKXWBZPGFC-QGZVFWFLSA-N 357.458 2.594 0 50 FFAA CC(C)(NC(=O)c1cnc(C(=O)O)cn1)c1ccc(OC(F)(F)F)cc1 263573031 LUAPXGVFEZVCMM-UHFFFAOYSA-N 369.299 2.739 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1[nH]cc(C)c(=O)c1C)CC2 426369898 HODWILIWIFYMRI-SLYNCCJLSA-N 360.498 2.930 0 50 FFAA O=C(NCCc1nccs1)N1CCCN(Cc2ccccc2F)CC1 426406355 XSWYIIJTROWOTR-UHFFFAOYSA-N 362.474 2.742 0 50 FFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)NCCCn2cccn2)c1 426661165 CSCJJITXDUQKHO-LJQANCHMSA-N 356.470 2.972 0 50 FFAA COc1ccc2c(c1)[C@H](C)N(C(=O)NCc1cn3nc(C)sc3n1)CC2 426722658 PXKOPHYWTCBHGJ-NSHDSACASA-N 371.466 2.937 0 50 FFAA COc1ccc(C(=O)NCc2ccc(F)cc2Cl)c(OCCN)c1 426440354 SHUOMQUOTUEXRP-UHFFFAOYSA-N 352.793 2.755 0 50 FFAA CC(C)CN1CC2(CCN([C@H](C)C(=O)NCc3ccccc3)CC2)CC1=O 91550421 SJJKLBQKQOFKCC-GOSISDBHSA-N 371.525 2.662 0 50 FFAA CC(C)c1noc2ncc(C(=O)Nc3cncnc3N3CCCC3)cc12 180487941 KUIXWSQBQGBBNR-UHFFFAOYSA-N 352.398 2.989 0 50 FFAA Cc1nc(N2CCCC2)nc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)c1C 426544995 HKAFUUBPFOKIPY-GOSISDBHSA-N 365.481 2.534 0 50 FFAA Cc1cccc2c(=O)c(C(=O)N3CCC[C@](CO)(CC4CC4)C3)c[nH]c12 91643805 RZCRPLRXBKFVLJ-NRFANRHFSA-N 354.450 2.851 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)N1CC[C@]2(CCCNC2=O)C1 91985826 XSKLIWAJQVIEOD-JCFBCRGFSA-N 362.539 2.817 0 50 FFAA CC(C)(C)NC(=O)N1CCC(NC(=O)c2nccc3ccccc23)CC1 181155926 QPUGSOQAVOGWJE-UHFFFAOYSA-N 354.454 2.937 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N(C)Cc1nc(-c2ccncc2)no1 95365836 DSWWTUREYZZEOA-CYBMUJFWSA-N 354.414 2.671 0 50 FFAA COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1O 91494209 YEVQXXMFNSGZHR-DOTOQJQBSA-N 367.449 2.532 0 50 FFAA O=C1CCC2(CCN(Cc3ncccn3)CC2)CN1Cc1ccccc1 91873259 IMSRONBOTGFKHE-UHFFFAOYSA-N 350.466 2.881 0 50 FFAA Cc1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1C(F)(F)F 864144675 CDRODEBBNSMOSC-CYBMUJFWSA-N 359.344 2.871 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCOC1)c1cccc(Br)c1 299753902 ZSJITYGKWVAYCY-ZWNOBZJWSA-N 356.216 2.508 0 50 FFAA C[C@H](CN1CCc2ccccc2C1)NC(=O)CC1=CSC2=NCCCN12 821793946 STNMQESKBIXBDZ-OAHLLOKOSA-N 370.522 2.589 0 50 FFAA Cc1ccc2nc(CNC(=O)C3(N4CCOCC4)CCCCC3)[nH]c2c1 670441437 BNTORTYXXRFUPW-UHFFFAOYSA-N 356.470 2.523 0 50 FFAA CCc1nc(CN(C)C(=O)NC[C@@H]2CCCN(C3CCCCC3)C2)no1 670445292 NDTJCAJCRJVZIN-HNNXBMFYSA-N 363.506 2.818 0 50 FFAA Cc1cc(OCc2ccncc2)ccc1NC(=O)[C@@H]1CCCC(=O)N1C 1875296713 KTDLHMHDFNHTNY-SFHVURJKSA-N 353.422 2.918 0 50 FFAA COC[C@H]1CCOCCN1C(=O)c1cc(N(C)C)cc(C(F)(F)F)c1 1875302426 QABMLQRFTQPWSZ-CQSZACIVSA-N 360.376 2.649 0 50 FFAA Oc1ncnc2cnc(NCC3(N4CCSCC4)CCCCC3)cc12 1875326657 RNRMRKHGGLCHPD-UHFFFAOYSA-N 359.499 2.894 0 50 FFAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)COc2cc(C)ccc2C)C1 1875396055 UNHDCQMMPGFGOM-DFBJGRDBSA-N 364.511 2.935 0 50 FFAA CC(C)(C)OC(=O)Nc1ccc(F)cc1NC(=O)c1ccnc(C(N)=O)c1 1875315270 NHRPHHKOGPYFTM-UHFFFAOYSA-N 374.372 2.919 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1 1875373589 HALHXBAWXRWZEK-GOSISDBHSA-N 367.453 2.512 0 50 FFAA CCOC(=O)[C@@H]1C[C@H](F)CN1c1nc(-c2cc(F)cc(F)c2)ns1 1875359347 AYWBGJPUBBLGGZ-RYUDHWBXSA-N 357.357 2.963 0 50 FFAA COCC[C@H]1CCN(C(=O)Cn2cc([C@H]3CCOC3)cn2)c2ccccc21 1875404517 LHHIAIYENWZCGA-SJORKVTESA-N 369.465 2.944 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC2(CC1)COC(=O)O2 952980584 KJNLDKKGNVFMTK-UHFFFAOYSA-N 366.801 2.830 0 50 FFAA COc1ccc(C(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)nn1 898689206 MCTXZFYSRVZHPY-UHFFFAOYSA-N 365.315 2.653 0 50 FFAA OC[C@@]12CCCN[C@H]1CCN(Cc1ccc(OCc3ccccn3)cc1)C2 1565510525 KOKFOZRNVXRFLQ-VXKWHMMOSA-N 367.493 2.597 0 50 FFAA COc1ccc(F)cc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 271108931 CHLALJRRYPEFQX-HNNXBMFYSA-N 357.385 2.757 0 50 FFAA CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Br 185940966 BGPBMGDJVVDXMF-LBPRGKRZSA-N 360.273 2.971 0 50 FFAA CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3ccc(C)cc3Cl)c2C1 277023479 JKEGEQFMRYHWIL-CYBMUJFWSA-N 360.845 2.796 0 50 FFAA Cn1cc([C@@H](O)C[C@@H]2CCCN2CCCOc2ccc3c(c2)OCO3)cn1 170591257 WBAZDTMGZCQTLE-WMZOPIPTSA-N 373.453 2.506 0 50 FFAA O=C(CCn1cccn1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280012403 MUWPTDVWYIREOH-IUODEOHRSA-N 353.344 2.627 0 50 FFAA O=C(c1ccncc1)N1CCN(C(=O)N2CCCc3cccc(F)c32)CC1 225502587 XAWKCBCKOFFSNJ-UHFFFAOYSA-N 368.412 2.551 0 50 FFAA Cc1ccc2[nH]cc(CCC(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)c2c1 190035396 HQPRGNOQCQBFFC-AZUAARDMSA-N 352.438 2.789 0 50 FFAA O=C(O)c1cc(O)cc(C(=O)N2CCC([C@@H](O)c3cccs3)CC2)c1 1506399229 KYUGGLFPSPUSNM-MRXNPFEDSA-N 361.419 2.738 0 50 FFAA CCCc1nc(C(=O)Nc2ccccc2N2C(=O)N[C@H](C)C2=O)cs1 1506418181 QAKRBJCTCXSRCN-SNVBAGLBSA-N 358.423 2.793 0 50 FFAA COc1cc(-c2onc(N3[C@H]4CC[C@@H]3C[C@H](O)C4)c2C(=O)O)ccc1F 1704339085 BZASOJRDDYPSGU-GDNZZTSVSA-N 362.357 2.680 0 50 FFAA Cc1ccc(NC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)cc1 1704302275 HHVRZLASLBDKCQ-CRAIPNDOSA-N 357.454 2.544 0 50 FFAA Cc1c(S(=O)(=O)N2C[C@H]3C[C@H](O)[C@H]3C2)sc2ccc(Cl)cc12 1772701960 SXENRMKEFQQBAM-ICCXJUOJSA-N 357.884 2.864 0 50 FFAA CN(CC1(C)COC1)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772804502 ACIPNMKXAVMFPJ-AWEZNQCLSA-N 357.479 2.805 0 50 FFAA Cc1ccc(-c2ccnc(N3CCCN(C(=O)C4CC4)CC3)n2)c(C)n1 1772804483 PVLHXOXIRZKJOS-UHFFFAOYSA-N 351.454 2.604 0 50 FFAA CCCN1CCN(C(=S)Nc2sc(CC)cc2C(=O)OC)CC1 5061058 NNGUSIWWZFGRLW-UHFFFAOYSA-N 355.529 2.822 0 50 FFAA O=C(NCCCc1ccncc1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11938642 ZAOMRXRVMXOLRK-SFHVURJKSA-N 369.440 2.708 0 50 FFAA COc1ccc(OC[C@H](O)CN(C)C)c(CNC2CCCCCC2)c1 12000037 BSVVEPKSAWEVLG-GOSISDBHSA-N 350.503 2.809 0 50 FFAA O=C1CCCN1CCCC(=O)N1CCc2onc(-c3ccccc3F)c2C1 15079524 QIBJGAQNCIFTEX-UHFFFAOYSA-N 371.412 2.768 0 50 FFAA CC1(C)NC(=O)N(C[C@H](O)CN(c2ccccc2)c2ccccc2)C1=O 19791163 XXFLLFXDFNXBQK-QGZVFWFLSA-N 353.422 2.516 0 50 FFAA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccccc1F 19805961 FIFOKOLRXKQPPO-UHFFFAOYSA-N 368.412 2.760 0 50 FFAA Cc1ccc(CN2CCC3(CC2)CN(Cc2cc[nH]n2)C[C@H]3C(=O)O)cc1 1857691827 YQJYEYLUXHGGAF-IBGZPJMESA-N 368.481 2.517 0 50 FFAA O=C(c1ccc(-n2ccnc2)cc1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857709868 VVZXMAKCRURZSI-POAQFYNOSA-N 350.466 2.819 0 50 FFAA O=C(NC1CC1)c1noc([C@H]2CCCN2c2nc3cc(F)ccc3o2)n1 328635431 USOKOKWXYCRRPZ-GFCCVEGCSA-N 357.345 2.584 0 50 FFAA C[C@@H](Oc1cccnc1)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 375356642 OYZFTCLFYXONEY-CQSZACIVSA-N 354.406 2.953 0 50 FFAA COC(=O)[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccccc1 4690215 RAZFTAQRNQNCRG-MRXNPFEDSA-N 356.403 2.950 0 50 FFAA Cc1cc(-n2cncn2)ccc1C(=O)N1CCNC[C@@H]1c1ccc(F)cc1 2325813060 HTKQNQNRSZIXJV-LJQANCHMSA-N 365.412 2.502 0 50 FFAA Cc1ccc([C@H](CN(C)C)NC(=O)c2cc(C)nc3c2cnn3C)cc1 2325856364 MMAWLWNOXCASDI-SFHVURJKSA-N 351.454 2.618 0 50 FFAA Fc1cc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)ccn1 2325900186 OBRFBIOKJKTTEN-OAHLLOKOSA-N 357.433 2.533 0 50 FFAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1Cl 1120627 HAKPSQWAYMZAMY-UHFFFAOYSA-N 373.789 2.832 0 50 FFAA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(OC)cc3)N2C1=O 2502894 AHVRYPIGDKCUJM-ZFWWWQNUSA-N 360.435 2.907 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cccc(N)n3)C2=O)cc1 2356146491 IIZPBMGEQINKLE-NRFANRHFSA-N 364.449 2.774 0 50 FFAA C[C@H]1CN(C(=O)Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1 2745492 WZTKTWVIGDHCTK-ROUUACIJSA-N 350.462 2.920 0 50 FFAA COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 6677955 PRLQCSPGKKLIFU-ZDUSSCGKSA-N 370.405 2.704 0 50 FFAA Nc1nccnc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 114680407 KDOIJBWIMWNOKH-UHFFFAOYSA-N 357.377 2.763 0 50 FFAA O=C(NCc1nnc2n1CCCC2)c1ccc(CN2CCCCC2)cc1 53902535 GFEALKMEZVCNFT-UHFFFAOYSA-N 353.470 2.530 0 50 FFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2-n2ccnc2)C1 115881373 JXTJMEYRMWTTJF-QGZVFWFLSA-N 368.481 2.773 0 50 FFAA CCn1cc(CN2CCCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cn1 109660062 QGHBENGVDZDTPE-UHFFFAOYSA-N 351.454 2.732 0 50 FFAA Cc1cnccc1CN(C)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 67954641 HUYHELKGRMZEKC-GOSISDBHSA-N 353.422 2.780 0 50 FFAA CN1CCC2(CCC1=O)CCN(C(=O)NCCc1ccc(F)cc1)CC2 67472928 NRMFZSGPWDERRD-UHFFFAOYSA-N 361.461 2.802 0 50 FFAA C[C@H](N)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 422877884 SFUSIBFSPSVRDE-KFWWJZLASA-N 354.454 2.967 0 50 FFAA CCOC(=O)N1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 22455819 LLMUMQYDQIMTMP-RMKNXTFCSA-N 357.498 2.938 0 50 FFAA CCCCn1c(SCC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)n[nH]c1=O 229600872 QIFMACQTILSXQW-SNUQEOBHSA-N 366.531 2.795 0 50 FFAA CC(=O)c1ccccc1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 20419505 DJQUTQXEFRSBMV-LJQANCHMSA-N 372.440 2.590 0 50 FFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F 121284721 YOCXTFZYHGDWKX-BPLDGKMQSA-N 358.392 2.644 0 50 FFAA COC[C@H](C)NCc1cccnc1N1CCN(c2ccccc2C)CC1 67803022 IZMLLPJXCVUFDP-SFHVURJKSA-N 354.498 2.841 0 50 FFAA CC(=O)Nc1ccc(CNC(=O)NCCc2ccc3c(c2)CCO3)cc1 252571292 XRJSAMXHQDIHEQ-UHFFFAOYSA-N 353.422 2.622 0 50 FFAA O=C(NCc1cccnc1OCC(F)(F)F)c1snc(O)c1Cl 283107443 XQDXKTRERDKLMH-UHFFFAOYSA-N 367.736 2.768 0 50 FFAA CCOC(=O)[C@@H]1C(=O)N(C(=O)c2ccc(OC)cc2)C[C@H]1c1ccccc1 1230461 VOXWPPFAFMCDST-ROUUACIJSA-N 367.401 2.641 0 50 FFAA Cc1cc(-c2nnc(SCC(=O)NCC(C)C)n2CC(C)C)nn1C 2793415 QXTSRMKFLLGHFX-UHFFFAOYSA-N 364.519 2.507 0 50 FFAA COC(=O)CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 2783179 ZIWIIJGPQKVOHW-JTQLQIEISA-N 366.483 2.890 0 50 FFAA Cc1ccccc1OCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 72172949 RCPNPLGIIIBFNQ-MRXNPFEDSA-N 372.852 2.945 0 50 FFAA CCOC(=O)c1ccc(CN2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)o1 72132036 QNJLRZDINLVZFB-NRFANRHFSA-N 368.433 2.967 0 50 FFAA Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1CCN1CCCC1=O 77285452 IAAANQFLWONIOX-INIZCTEOSA-N 368.474 2.690 0 50 FFAA CC(C)(C)C(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 363581111 VEZNWPRMTQXUMR-JOCHJYFZSA-N 371.525 2.663 0 50 FFAA CNC[C@H]1CCCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 237252419 ZJHMUYIWLUSOAP-VSRDTVRMSA-N 351.450 2.884 0 50 FFAA Cc1nc2ccc(C(=O)N[C@H]3CCN(C4CCN(C)CC4)C3)cc2s1 365354947 IXIQSCATGFMFDC-HNNXBMFYSA-N 358.511 2.503 0 50 FFAA Cc1cc(F)ccc1CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1C(=O)O 72478808 RFJDKRULVCXCOY-GOSISDBHSA-N 374.456 2.812 0 50 FFAA CCCc1nc(C)cc(NCc2cc3c(nc2OC)CN(CC)C3=O)n1 71714694 GCSQNDDTPXFWSG-UHFFFAOYSA-N 355.442 2.729 0 50 FFAA CN1CCC[C@@H]2CN(C(=O)NCc3ccccc3CN3CCCC3)CC[C@H]21 246839414 KJUFBWYNHWPFFN-NHCUHLMSSA-N 370.541 2.908 0 50 FFAA COCCC[C@@H]1CCCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)C1 77380029 JHIRBRASBRXLEL-AWEZNQCLSA-N 356.426 2.880 0 50 FFAA O=C(CCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1CN1CCOCC1 174486067 REGWTOHNAFBUQV-GOSISDBHSA-N 369.465 2.597 0 50 FFAA O=C(c1cnn2cccnc12)N1CCC[C@H](COc2ccc(F)cc2)C1 77320999 XREUVGWLRDHEMM-AWEZNQCLSA-N 354.385 2.800 0 50 FFAA CCOc1ccc(-c2ccnc(NCc3cc(C)[nH]n3)n2)cc1C(=O)O 72418129 SYMIFLCSZGZNCT-UHFFFAOYSA-N 353.382 2.884 0 50 FFAA CCc1ccc([C@@H]2COCCN2C(=O)NCc2cnc3n2CCCC3)o1 375119244 OGTKIVLPSUEVCS-INIZCTEOSA-N 358.442 2.658 0 50 FFAA NC(=O)Cc1occc1C(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 376062793 VPAWLZUKBDQVJL-LBPRGKRZSA-N 362.813 2.644 0 50 FFAA Cn1cnc2cc(C(=O)NCCOCc3ccc(Cl)cc3)ccc2c1=O 216283776 IONLWXPJISHEMR-UHFFFAOYSA-N 371.824 2.534 0 50 FFAA CCN(C)C(=O)c1ccc(N(C)Cc2cc(-c3cccnc3)no2)nc1 77436466 MBYISCOBPJUWJL-UHFFFAOYSA-N 351.410 2.860 0 50 FFAA COc1ccc(CS(C)(=O)=O)cc1NC(=O)C1Cc2ccccc2C1 285710843 NLWSIYXXEBUEDJ-UHFFFAOYSA-N 359.447 2.593 0 50 FFAA Cc1cc(CO)oc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 286507608 UPTGJKXDSJELMT-JTQLQIEISA-N 357.332 2.842 0 50 FFAA C[C@]1(C(=O)NCc2cc3n(n2)CCCN(C2CCCCC2)C3)CCCCO1 82138994 RJZKDTXMBDRXBW-OAQYLSRUSA-N 374.529 2.997 0 50 FFAA COc1cccc(N2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2=O)c1 82096996 SLGCFISSJFHRAL-UHFFFAOYSA-N 360.797 2.543 0 50 FFAA CCCNC(=O)CCC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 291283345 SCTJHSVWTIBMMN-IBGZPJMESA-N 359.514 2.711 0 50 FFAA Cc1ccccc1CCNC(=O)N1CCCN(Cc2cccnc2)CC1 426479844 WYOMEDGEWUXCFN-UHFFFAOYSA-N 352.482 2.850 0 50 FFAA CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3cccc(F)c3F)cc2)C1 426555834 FXUHMLNGJICNSN-INIZCTEOSA-N 374.387 2.609 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 82097505 HCTRCFRLTHAESO-GOSISDBHSA-N 364.445 2.710 0 50 FFAA CC(C)N1CCC[C@H](CNC(=O)N(C)Cc2ccc3nsnc3c2)C1 426442126 ZSIHXDDJHNHMPV-OAHLLOKOSA-N 361.515 2.953 0 50 FFAA Cn1nc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c2c(Cl)cccc21 91876727 YNAYYLGJLFWUCK-GFCCVEGCSA-N 374.872 2.634 0 50 FFAA CCCc1cnc(C)nc1N1C[C@@H]2c3ccc(OC)cc3OC[C@]2(CO)C1 95525014 XGQBSQNKZAMVSL-WIYYLYMNSA-N 369.465 2.721 0 50 FFAA O=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 95364087 DHFMIAWUQCDJID-QGZVFWFLSA-N 373.416 2.669 0 50 FFAA Cn1cc(Br)cc1C(=O)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 296051994 NDWFGBDVKBIFJC-NSHDSACASA-N 370.291 2.541 0 50 FFAA CCCc1ccc(CN2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)o1 92022589 FUACYDDJIGKAMT-OAQYLSRUSA-N 361.530 2.998 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2scc3c2CCCC3)C[C@H]1c1cccnc1 91269812 YOGJMCDFRKULRJ-JKSUJKDBSA-N 356.447 2.962 0 50 FFAA COc1ccc(NC(=O)N2CC(OCc3ccccc3C)C2)c(OC)n1 96149086 SRERNCQZMDSHKD-UHFFFAOYSA-N 357.410 2.840 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC[C@@H](CN3CCCC3=O)C2)cc1F 244724143 MOJTXQOXNAHWSM-MRXNPFEDSA-N 361.461 2.797 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(C)cc2OC)[C@H]2C[C@@H](O)C2)cn1 252551859 UIDKDBYZHPKGKE-KHYOSLBOSA-N 356.422 2.649 0 50 FFAA CCc1nc(C)c(CNC(=O)[C@H](C)Sc2nc(C)cc(O)n2)s1 253536073 GWRBPWDYUSVHDX-JTQLQIEISA-N 352.485 2.615 0 50 FFAA Cc1ccc([S@](=O)OCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 252427859 IPHVIYJSBBURBD-KAEOHJDDSA-N 367.854 2.552 0 50 FFAA CCCc1nc(C)c(CNC(=O)N2CCC[C@@]3(CN(C)C(=O)O3)C2)s1 584889458 XCZOOVFFAZRDAO-QGZVFWFLSA-N 366.487 2.530 0 50 FFAA CC(C)(C)n1cc(C(=O)NS(C)(=O)=O)c(-c2ccccc2Cl)n1 1875390895 GJQJUZYTLSQVMB-UHFFFAOYSA-N 355.847 2.648 0 50 FFAA CCc1oc2ccccc2c1C(=O)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402137 CGXRRUUOGRBFKT-NUEKZKHPSA-N 353.422 2.761 0 50 FFAA COc1nc(C)cc(N2CC[C@@]3(CCCC[C@@H]3NC(=O)[C@@H]3C[C@H]3C)C2)n1 1875408254 ROHCSPHPLSWRGH-NEVJAFOQSA-N 358.486 2.705 0 50 FFAA NCc1ccccc1-c1ccc(C(=O)N[C@H](C2CC2)[C@H]2COCCO2)cc1 1875287688 UXAQTVYSDNKLBM-NHCUHLMSSA-N 366.461 2.736 0 50 FFAA NC(=O)NC[C@@H]1CCN(c2ncnc3sc(-c4ccccc4)cc23)C1 1875257048 MJTQTBRXNYTSLV-LBPRGKRZSA-N 353.451 2.853 0 50 FFAA Cc1ccc(F)c(S(=O)(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 952980709 XUIFUDLPZOBARO-MRXNPFEDSA-N 364.442 2.899 0 50 FFAA N[C@H](CCNC(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)Cc1ccccc1 892225055 HDDONNPQADWDCZ-AQNXPRMDSA-N 368.481 2.561 0 50 FFAA COc1cc(Cl)c(F)c(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888077506 FTXBMTGOFJOXHO-ZWNOBZJWSA-N 353.781 2.813 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1 166818847 KPBVWTBBIZQQMB-QGZVFWFLSA-N 364.449 2.797 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](NCc2nc3ccc(Cl)cc3n2C)CCO1 275353279 AFCULCOSAZREER-DYVFJYSZSA-N 359.861 2.970 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)CO2 275665576 QMWJUNKFRYVYND-IMFGXOCKSA-N 368.433 2.678 0 50 FFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C2CC2)[nH]c(=O)c1 186376880 ILIQIYPKDFSQHQ-QGZVFWFLSA-N 351.450 2.993 0 50 FFAA C[C@@](CC(=O)O)(C(=O)Nc1ccc2c(c1)C(=O)NCC2)C1CCCCC1 169988591 MXXUIPNSJDTYDG-FQEVSTJZSA-N 358.438 2.972 0 50 FFAA O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 187075570 FHDHFXLUPSRCDE-CCYYAIQYSA-N 374.525 2.614 0 50 FFAA CCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)C[C@H]1CCCO1 172173887 COCDOXBLXQQJLQ-MRXNPFEDSA-N 374.510 2.777 0 50 FFAA O=S(=O)(NCc1cccc2c1OCO2)c1ccc(CC(F)(F)F)cc1 189878982 UIIDDOXUVQKVOZ-UHFFFAOYSA-N 373.352 2.999 0 50 FFAA CC(C)Cc1nc(CN(C)C(=O)[C@H](C)c2nnc(O)c3ccccc23)no1 1506402326 QFTBPUBTPYKTSW-GFCCVEGCSA-N 369.425 2.679 0 50 FFAA COc1cc(Cl)cc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1OC 1529195873 OTTFKWQTPMJYAP-IAGOWNOFSA-N 366.889 2.652 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cccc(F)c3C(F)(F)F)C[C@@H]2O)n[nH]1 1704344100 NXPKYGWNZXVVJY-DOMZBBRYSA-N 357.351 2.911 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3nc(-c4ccco4)no3)C1)CC2 1704298308 GPBCNUGERXCQPS-LJQANCHMSA-N 351.410 2.908 0 50 FFAA O[C@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1Cc1cnccn1 1616128059 VHCYQBVZXLMXCN-UWJYYQICSA-N 353.466 2.833 0 50 FFAA Cc1ccn(CCC(=O)NC[C@H]2Cc3cccc(-c4ccncc4)c3O2)n1 11785734 ZYYDFWMHLUPUOD-GOSISDBHSA-N 362.433 2.764 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C1 12005439 GREGFOUDMYQOQO-LLVKDONJSA-N 352.337 2.783 0 50 FFAA C[C@H](c1ccon1)N(C)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 12299926 WSYVXSVHCPJTSX-LLVKDONJSA-N 370.365 2.539 0 50 FFAA O=C(NCC1(O)CCCCC1)c1coc(COc2cccc(F)c2F)n1 12474056 OQKGOBNRWADYPZ-UHFFFAOYSA-N 366.364 2.957 0 50 FFAA O=C(c1coc(COc2cccc(C(F)(F)F)c2)n1)N1CCOCC1 14949375 YGOUURPLJSXEMS-UHFFFAOYSA-N 356.300 2.745 0 50 FFAA CCc1cccc(C)c1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCC3 169760060 LPXVRGFDDWAXLR-UHFFFAOYSA-N 364.449 2.884 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)C1(c3ccc(OC)cc3)CCCC1)C2 1857693921 SGCRWYLVSFGIAN-HXUWFJFHSA-N 372.465 2.950 0 50 FFAA COc1cccc(-c2ncc(-c3nccn3C[C@H]3CNCCO3)s2)c1 1857707008 VYMAIRMTXCWZND-OAHLLOKOSA-N 356.451 2.671 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3cn(C)nc3-c3ccccc3)CCN12 1857727718 YUKJYAUYPONZJT-VQTJNVASSA-N 354.498 2.772 0 50 FFAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857733436 KSOASNGMHSXQMP-ZNZDAUKMSA-N 354.450 2.659 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 237642300 WLBAENZXMBPKIL-OAHLLOKOSA-N 352.228 2.804 0 50 FFAA Brc1ccc2ncnc(NCCCN3CCOCC3)c2c1 19345441 KKNDLTDLLOWDQD-UHFFFAOYSA-N 351.248 2.527 0 50 FFAA CCNc1nc(C(=O)N2CCN(c3cc(F)ccc3F)CC2)cs1 157031338 HUKNKMHCSPZEEK-UHFFFAOYSA-N 352.410 2.816 0 50 FFAA Cn1cccc1[C@@H]1COCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O 164027413 XUZWEUZIMWDOCR-LPHOPBHVSA-N 367.449 2.516 0 50 FFAA CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 1057377 YOSTVJJHAASPSU-UHFFFAOYSA-N 373.261 2.935 0 50 FFAA COC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1080907 URYPIWHTVLASHX-UHFFFAOYSA-N 373.474 2.891 0 50 FFAA CCn1ncc(Br)c1C(=O)NCc1ccc(OC)c(OC)c1 4594425 IBYSWPMOPRAUBY-UHFFFAOYSA-N 368.231 2.613 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1N 4589481 BOTPJCJOMQPFPK-UHFFFAOYSA-N 350.378 2.884 0 50 FFAA Cc1cc(C)c2c(=NC(=O)c3cc(-c4ccccc4)n(C)n3)[nH]n(C)c2n1 2100541270 YNDRWXACAVXLED-UHFFFAOYSA-N 360.421 2.660 0 50 FFAA Cn1ncc(C(=O)NC[C@@H]2CN[C@H]3CCCC[C@@H]23)c1Cc1ccccc1 2325795497 IRKQDQAFGFKFKM-LNLFQRSKSA-N 352.482 2.519 0 50 FFAA O=C(NC[C@@H]1CCN1C(=O)[C@H]1CC[C@H]1F)c1ccc2c(c1)CCCCN2 2325867972 KMLCRRFPMYYCTK-YESZJQIVSA-N 359.445 2.514 0 50 FFAA O=C(N[C@@H](Cc1coc2ccccc12)C(=O)O)c1c(F)ccc2c1OCC2 2325876241 OCGXGHDPMIDTNG-HNNXBMFYSA-N 369.348 2.933 0 50 FFAA COC(=O)[C@@H]1CN(C(=O)NCC2Cc3ccccc3C2)Cc2ccccc21 858229500 CAMOIZKRPRDIOR-HXUWFJFHSA-N 364.445 2.883 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 2325889996 OTMNGCAJTMSOFI-AWEZNQCLSA-N 367.453 2.767 0 50 FFAA Cc1ocnc1C(=O)N1CCC[C@@]12CCCN(CCc1ccccc1)C2=O 2356168667 AGYGNNMIYKDBMB-OAQYLSRUSA-N 367.449 2.823 0 50 FFAA COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 6677954 PRLQCSPGKKLIFU-CYBMUJFWSA-N 370.405 2.704 0 50 FFAA CCCCN1CCN(C(=O)c2ccc(NC(=O)C3CCC3)cc2)CC1=O 55242231 QSFVUJQGTNEAIA-UHFFFAOYSA-N 357.454 2.510 0 50 FFAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2csc(C(=O)OC)c2)n[nH]1 471501883 YKCLDTPYKPHFGL-SECBINFHSA-N 357.457 2.962 0 50 FFAA CC(C)CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CCO 20448905 MIXDYYNRYQXAHV-NRFANRHFSA-N 374.504 2.926 0 50 FFAA Cc1nc(NCCNC(=O)Nc2ccccc2Cl)cc(-n2cccn2)n1 67603630 NDBNJHIMZDRZCF-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA COc1ccc(-n2ncc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)c2C)cc1 67955295 PHBNLWLASQIWCW-UHFFFAOYSA-N 372.392 2.708 0 50 FFAA CSCC[C@H](N)C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 23340007 ZMGNCBMPQLGPSA-INIZCTEOSA-N 365.547 2.570 0 50 FFAA CCN(CC)S(=O)(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66934355 SRRBKFVEXPACBG-AWEZNQCLSA-N 367.298 2.953 0 50 FFAA CN(CC1(CO)CC1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 67560915 AWQLZIJIRLEAHT-UHFFFAOYSA-N 370.449 2.977 0 50 FFAA CCn1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)c1 252485356 GSCFSLLJWYKJSH-KRWDZBQOSA-N 356.470 2.937 0 50 FFAA Cc1ccccc1CN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 20540005 XYNPLYZNTKZAGW-IBGZPJMESA-N 355.526 2.950 0 50 FFAA Cc1cn2ccnc(C(=O)NCc3c(C)nn(-c4ccccc4)c3C)c2n1 431172502 KBJZPMSRMVJVLP-UHFFFAOYSA-N 360.421 2.770 0 50 FFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)n1 329057397 MNMIMHGVWPOQOC-HWPZZCPQSA-N 372.356 2.774 0 50 FFAA CNC(=O)c1ccc([C@H]2CCCN2c2cc(C3CCNCC3)ncn2)s1 39516230 AVRDOZBVKBKNQF-OAHLLOKOSA-N 371.510 2.706 0 50 FFAA O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)N1CCSCC1 61718832 FNFILCZOVYVXKO-UHFFFAOYSA-N 365.458 2.639 0 50 FFAA COc1c[nH]c(C(=O)NCc2cccnc2Oc2ccccc2F)cc1=O 67473219 ULLJKTZAMBOCOC-UHFFFAOYSA-N 369.352 2.640 0 50 FFAA CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)/C=C/c1ccccc1Br 253423053 DVCDIMONUYYBML-UKQHYNNHSA-N 370.287 2.737 0 50 FFAA Cc1ccc(Cn2cc(-n3c(S)nnc3-c3cc(C)[nH]n3)cn2)cc1 6413446 ACDFDVZYGZCPQX-UHFFFAOYSA-N 351.439 2.808 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cn21 333177518 PBKSWHVEGFOKIU-JKIFEVAISA-N 365.499 2.503 0 50 FFAA Cn1nc(C(=O)O)c2c1CCN(Cc1ccc([C@H]3CCCCO3)s1)C2 215076031 GZTVIBPEWFMOQP-OAHLLOKOSA-N 361.467 2.980 0 50 FFAA CN(C[C@H]1CCCN1C)c1nc(CCc2ccccc2)nc2c1cnn2C 72152912 IYLNHQKVKMYOAC-QGZVFWFLSA-N 364.497 2.679 0 50 FFAA CC/C(C)=C/CCN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 72420207 SPXIFPXLFHQJPN-XCVDJSHCSA-N 361.534 2.573 0 50 FFAA CN1CCC[C@@H]2CN(C(=O)CCc3nc(-c4cccs4)no3)CC[C@@H]21 155700165 MWHICYKRFAHLEI-KGLIPLIRSA-N 360.483 2.673 0 50 FFAA CCN(Cc1nccn1C)C(=O)c1ccc(-c2ccc(CO)cc2)nc1 71763395 SPEZOTNGGUHZAQ-UHFFFAOYSA-N 350.422 2.637 0 50 FFAA CCOC(=O)N1CCC(N2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)CC1 72454083 JPKOZJVSAQUKKP-MRXNPFEDSA-N 360.454 2.870 0 50 FFAA Cc1ccc(CC(=O)NOCC(=O)NCCc2ccc(Cl)cc2)cc1 156844066 MSSOWUSODYXYGF-UHFFFAOYSA-N 360.841 2.598 0 50 FFAA COCc1nc(N2CCOc3ccc(Cl)cc3C2)c2cnn(C)c2n1 72159312 WJBOLDHURYBAOW-UHFFFAOYSA-N 359.817 2.562 0 50 FFAA Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 33270214 VJBUPYPHODNOFJ-CQSZACIVSA-N 364.423 2.588 0 50 FFAA C[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)C[C@@H](C)N1CCO 451657625 ZLBBBSKTIZTBFM-GASCZTMLSA-N 360.420 2.861 0 50 FFAA Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 71747884 KLCBHIRHABDDPE-GDIGMMSISA-N 372.419 2.699 0 50 FFAA O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CCc2ccc(O)cc2C1 494867241 YWDWXJJXQVJWFE-MRXNPFEDSA-N 355.413 2.878 0 50 FFAA Cc1cc2ncn(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)c2cc1C 131664011 AXPDWNFDFCVRPU-INIZCTEOSA-N 365.433 2.978 0 50 FFAA O=C(O)c1cnn(C2CCN(C(=O)Cc3cccc4cccnc34)CC2)c1 263223841 RESMJEGDOLCUEV-UHFFFAOYSA-N 364.405 2.536 0 50 FFAA CCCc1nc(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cs1 72173963 GMXDFDHJDZADFZ-MSOLQXFVSA-N 371.506 2.562 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)C2 72170331 KAXIVFJFESCQTB-LJQANCHMSA-N 351.450 2.937 0 50 FFAA C[C@@H]1CC[C@@H](CCC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)O1 175253504 HBGJKPXXSZTQOX-QAPCUYQASA-N 362.445 2.848 0 50 FFAA O=C(NCCSCc1ccccc1)c1cccc(N2CCNC2=O)c1 45792181 NEYZGXVZIHBRQX-UHFFFAOYSA-N 355.463 2.879 0 50 FFAA CCOc1ccccc1CC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1 82091794 KLJKUXWWMNFWPW-UHFFFAOYSA-N 352.434 2.812 0 50 FFAA Cc1cc(N2CCCN(C(=O)CCn3cnc4ccccc43)CC2)ccn1 82147110 OPQNUBQPGKPSGG-UHFFFAOYSA-N 363.465 2.869 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](OCc2ccccn2)C1 82121035 SBNYWXVNAVRGNU-GOSISDBHSA-N 368.433 2.951 0 50 FFAA CSc1nnc(CC2CCN(Cc3cccc4nonc34)CC2)n1C 82120389 VNXJNPAAGUZUBN-UHFFFAOYSA-N 358.471 2.528 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)c1ccc([C@H]2CCCN2)s1 20783012 BCYQDOPPALCWEJ-QGZVFWFLSA-N 370.522 2.962 0 50 FFAA COc1cc2c(cc1-c1nccn1[C@@H]1CCC(=O)N(C)C1)OCCCO2 82086558 HMDNBGCBCWMGKD-CYBMUJFWSA-N 357.410 2.513 0 50 FFAA O=C(NC[C@@H]1CCCO1)c1cccc(-c2nc3ccccc3n2CCO)c1 426425506 URDVCAAHPZIAHC-KRWDZBQOSA-N 365.433 2.604 0 50 FFAA COCC[C@]1(O)CCN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)C[C@H]1C 91651161 BQBVMVAYIDAISE-IIBYNOLFSA-N 358.482 2.754 0 50 FFAA Cc1cc(CN[C@H](c2nnc[nH]2)C2CCCCC2)nc(N2CCCC2)n1 293268932 CFOLRTFFYWDKBV-KRWDZBQOSA-N 355.490 2.915 0 50 FFAA COc1ccccc1-n1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)cn1 91907100 JSKVVIFAGIMJAL-UHFFFAOYSA-N 365.437 2.755 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CNc1ccc(Br)cc1 239025501 BSDIXANXEJIXCW-WGGGBPLMSA-N 373.250 2.872 0 50 FFAA Cc1nscc1C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 294691114 JXBCXNJLJZAJDS-UHFFFAOYSA-N 366.464 2.657 0 50 FFAA Cc1cccc(-c2ncc(CN3CCC[C@H](CS(C)(=O)=O)C3)cn2)c1 97288790 JLFIDXZMXTZXDG-INIZCTEOSA-N 359.495 2.709 0 50 FFAA CCCOC(=O)N1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1 91461844 HFQHOOJXNNNBRW-UHFFFAOYSA-N 360.462 2.577 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCCc1noc(CO)n1 95517409 NAIKPTFGCOFURZ-INIZCTEOSA-N 369.396 2.582 0 50 FFAA Cc1cnc(CNC(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cn1 97360146 KBIXDCCLEAFRGL-CQSZACIVSA-N 367.453 2.979 0 50 FFAA COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 244899370 ZIQUFDNQPUYLDS-QAQDUYKDSA-N 361.438 2.685 0 50 FFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCCN1CCC(c2ccccc2)CC1 244795387 RFLSYRJTWMDHQE-NQIIRXRSSA-N 355.526 2.857 0 50 FFAA Cc1noc([C@@H]2CCCCN2CCC(=O)Nc2ccsc2C(=O)O)n1 244787998 QHLXRJDBPWPTFC-LBPRGKRZSA-N 364.427 2.694 0 50 FFAA CN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@H]2C1 244899464 ZKJOFEBRLCVCKC-JOCHJYFZSA-N 365.521 2.740 0 50 FFAA CSCC[C@H](CO)NC(=O)[C@H](C)c1ccc(C[C@H]2CCCC2=O)cc1 252510401 ZJHOROWWXDFDEV-ZTFGCOKTSA-N 363.523 2.932 0 50 FFAA Cn1ccc2ccc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)nc21 1940196187 QIYLYHVRTRYJGF-KRWDZBQOSA-N 350.422 2.790 0 50 FFAA Cn1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)O)C2)n1 299755880 ADGISLRWFDSDSP-FTRWYGJKSA-N 353.422 2.531 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1-c1nc[nH]n1 828184240 UBNRCXKECSODQR-AWEZNQCLSA-N 367.478 2.928 0 50 FFAA c1cc(CN(Cc2nc3c(s2)CNCC3)[C@@H]2CC23CCNCC3)cs1 952895031 QVCREEYRIGOYCQ-QGZVFWFLSA-N 374.579 2.995 0 50 FFAA O=C(N[C@H]1COC2(CC2)C1)N1CC[C@@](O)(c2cccc(C(F)(F)F)c2)C1 1875295013 BGAFQWIMHSYNBC-PBHICJAKSA-N 370.371 2.630 0 50 FFAA Cc1c(C(=O)N2CCC(c3nnc(O)o3)CC2)ccc2cnc(C3CC3)n12 1875266401 FLGSAJBIWHGJTC-UHFFFAOYSA-N 367.409 2.629 0 50 FFAA O=C(N[C@@H]1COC2(CC2)C1)N1CC[C@](O)(c2cccc(C(F)(F)F)c2)C1 1875295015 BGAFQWIMHSYNBC-WMLDXEAASA-N 370.371 2.630 0 50 FFAA CC(C)(C(=O)NCC[C@H]1CCCCN1C(=O)c1cncs1)C(F)F 1875315442 VDIGRKCYDFCIFJ-LLVKDONJSA-N 359.442 2.935 0 50 FFAA CC1(C)CCc2c(C(=O)N3CCc4c(O)nc(O)nc4C3)csc2C1 1875308116 ZHNZHTHCNLJXMY-UHFFFAOYSA-N 359.451 2.663 0 50 FFAA O=C(CCc1cc2ccccc2o1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402486 HSJUCNUUOOWNQZ-BMGDILEWSA-N 353.422 2.518 0 50 FFAA CCOCC(=O)N1CCC(C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 952964081 BACZPCRFXOMNCM-UHFFFAOYSA-N 367.877 2.620 0 50 FFAA C[C@@H](NC[C@@H]1OCCN(C)[C@H]1c1ccnn1C)C1CCC(F)(F)CC1 886074617 HRLCXODTWPTWQV-COXVUDFISA-N 356.461 2.595 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)COc1ccc(F)cc1F 1565514047 PAKBCNLOWKRTHI-RDJZCZTQSA-N 355.381 2.600 0 50 FFAA O=C(c1ccncc1F)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275751819 WHHWZPJKDSXAAB-AWEZNQCLSA-N 356.401 2.509 0 50 FFAA C[C@@H]1CCC[C@@]2(C1)NC(=O)N(Cc1cnn(Cc3ccccc3)c1)C2=O 170592500 MVWNRDPWCMMQMX-QRWLVFNGSA-N 352.438 2.932 0 50 FFAA Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)N1CCC[C@@H](C)C1 170640741 QTMWGFWZTQCIBG-CYBMUJFWSA-N 362.455 2.966 0 50 FFAA C[C@H]1CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C[C@@H](C)O1 170637405 CYVHXPYIYLPSHT-TXEJJXNPSA-N 350.415 2.989 0 50 FFAA CN(C)C(=O)C1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 187471884 MLJXSOZQHQREHB-UHFFFAOYSA-N 366.874 2.732 0 50 FFAA O=C(NC1CCOCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 187536870 UGULUSDZHFHVNI-ZDUSSCGKSA-N 357.376 2.762 0 50 FFAA Cc1ccn(CC(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c(=O)c1 194558644 LHKVYBORZMCCDB-GOSISDBHSA-N 362.433 2.918 0 50 FFAA Cc1c(CN2CC[C@H]3[C@H](CCC(=O)N3CCN)C2)[nH]c2c(C)cccc12 215439278 SXFLEHBIDOKGJL-APWZRJJASA-N 354.498 2.556 0 50 FFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)NC[C@@H]2CCCO2)cc1 1704310310 RGNFAHLLRATXTQ-INIZCTEOSA-N 371.437 2.859 0 50 FFAA Cc1ccc2nc(CN3CCCN(C(=O)c4c(C)noc4C)CC3)cn2c1 1772704226 PTPUFYMQKVCPEM-UHFFFAOYSA-N 367.453 2.596 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N[C@@H]4CCOC4)cc3o2)cc1 11999064 JOKKDLMBGMEQRK-OAHLLOKOSA-N 352.390 2.946 0 50 FFAA COc1ccc(CCN2C[C@@H](NC(=O)c3ccc(C)s3)CC2=O)cc1 12206977 JIAZBFIYCDAYTJ-HNNXBMFYSA-N 358.463 2.639 0 50 FFAA CN(C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1)C(C1CC1)C1CC1 12305377 FXSNBKLHCUMFIV-UHFFFAOYSA-N 369.421 2.978 0 50 FFAA CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 12383110 UAAWNDWIGSIWAY-MRXNPFEDSA-N 354.454 2.716 0 50 FFAA CN1CCC[C@@H](CN(C)C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1 12433937 GCRXVJTYEKKVNW-MRXNPFEDSA-N 365.481 2.827 0 50 FFAA COc1ncccc1C(=O)NCc1cccnc1-n1cnc2ccccc21 12448493 ZILKRBIJNGALEL-UHFFFAOYSA-N 359.389 2.754 0 50 FFAA COc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 15066675 NRVCPDDLYMREEI-SFHVURJKSA-N 371.525 2.650 0 50 FFAA COc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC 19922828 VVHKGJNJEWBDSB-UHFFFAOYSA-N 356.422 2.788 0 50 FFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc(S(C)(=O)=O)cc1 1857676187 LFXZFDBNZUOMRO-KVSKMBFKSA-N 365.495 2.786 0 50 FFAA CN1CCCC[C@@H]1CC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857677757 CBXJDXOUMRFADW-GOSISDBHSA-N 366.509 2.889 0 50 FFAA CC(C)=CCN1CCC[C@@]2(C(=O)NCc3ccncc3C)CCN(C)C[C@H]12 1857679108 WZNVYAVZXDZFJM-RBBKRZOGSA-N 370.541 2.759 0 50 FFAA CN1CC[C@]2(C(N)=O)CCCN(Cc3[nH]c4ccccc4c3Cl)[C@H]2C1 1857692561 KMHCCMWEGQHCOW-QFBILLFUSA-N 360.889 2.593 0 50 FFAA CCCc1nnc(N2C[C@H](C(=O)NCCCc3ccccc3)CC2=O)s1 1857710786 PNTUMEKDIRHFBE-OAHLLOKOSA-N 372.494 2.593 0 50 FFAA O=C(N=c1[nH][nH]c2cc(Cl)ccc12)[C@H]1CCCN(c2ccccn2)C1 1875242789 BTLWLXZKSKSXDK-LBPRGKRZSA-N 355.829 2.888 0 50 FFAA Cc1cc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)ccc1-n1cccn1 333466037 HLTSVEGPQPFNCN-HXUWFJFHSA-N 355.438 2.591 0 50 FFAA O=C(c1ccn(-c2ccccc2F)n1)N1CC[C@H](Oc2ccccn2)C1 478082153 FQFAHDMNRAXBFT-AWEZNQCLSA-N 352.369 2.700 0 50 FFAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1c1cccs1 152936354 FTMWDOARNHSZHD-QWHCGFSZSA-N 361.471 2.868 0 50 FFAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 262077362 DMWYXMRKTOOTMO-VIFPVBQESA-N 357.737 2.597 0 50 FFAA CCOc1ccc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc1Cl 1059793 SPPPDTPTOUBKDT-UHFFFAOYSA-N 351.786 2.539 0 50 FFAA COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1Br 4524901 PCQDLKYDVQJWCM-LBPRGKRZSA-N 368.227 2.516 0 50 FFAA O=C(N(c1cccc(C(F)(F)F)c1)[C@@H]1C=CS(=O)(=O)C1)C(F)(F)F 1295419 YQOKGWOLOTUGMV-SNVBAGLBSA-N 373.274 2.911 0 50 FFAA Cc1cc(C(=O)Nc2cccc(-c3n[nH]c4c3COCC4)c2)cnc1O 2325866541 OWQOJRUGJKLHLT-UHFFFAOYSA-N 350.378 2.811 0 50 FFAA CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 643520 NBSOJIXMKJKGBR-UHFFFAOYSA-N 357.362 2.911 0 50 FFAA O=C(c1cccnc1C(F)(F)F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356143354 DMXCFHUSQRLCSI-MRXNPFEDSA-N 350.344 2.944 0 50 FFAA O=C1Nc2ccccc2[C@@](O)(C(=O)N2CCCCC2)N1c1ccccc1 4949602 ATHPZOHFMQWJKT-HXUWFJFHSA-N 351.406 2.896 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1 102866867 TWGBYGJUWDKWJU-AJRUKDSQSA-N 370.541 2.833 0 50 FFAA CCCCC[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)O 27642745 XNRNNGPBEPRNAR-WWPQKZCSSA-N 370.486 2.769 0 50 FFAA in-vitro Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(COc4ccccc4)[nH]n3)C2)n1 67872013 KGKIINKSFPVICE-KRWDZBQOSA-N 365.437 2.889 0 50 FFAA CCn1c(C2CCN(c3cnc4ccc(Cl)cc4n3)CC2)n[nH]c1=O 67755231 XXSZQCRRNMOQQT-UHFFFAOYSA-N 358.833 2.572 0 50 FFAA OCCNc1cc(NCc2cccnc2Oc2ccc(F)cc2F)ncn1 67587001 OFIZOQQSSKGDCS-UHFFFAOYSA-N 373.363 2.958 0 50 FFAA CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc21 127915350 PWXWYVUDMYCASP-QGZVFWFLSA-N 370.474 2.604 0 50 FFAA O=C(CCn1cc(Br)cn1)Nc1ccn(Cc2ccccc2)n1 652633 IMAZLWHAEOHFOO-UHFFFAOYSA-N 374.242 2.919 0 50 FFAA CC(C)Oc1ccc(NCC(=O)N[C@H](C)c2cccs2)cc1C(N)=O 253432106 WJYCCFYCOAZJDT-GFCCVEGCSA-N 361.467 2.924 0 50 FFAA CCCN(CC)C[C@@H](C)NC(=O)c1cc(N2C[C@H](C)O[C@H](C)C2)ccn1 253431598 HRGZCRVAXYYDST-ZACQAIPSSA-N 362.518 2.545 0 50 FFAA O=C(c1ccc2nccnc2c1)N1CCN(c2ncnc3ccccc23)CC1 72422283 HTKHLQRSRXQRTF-UHFFFAOYSA-N 370.416 2.535 0 50 FFAA Cc1nccn1CC1(CNC(=O)c2cccc([C@H]3CCCNC3)c2)CC1 216410424 SOKQJHBGFUVPAC-IBGZPJMESA-N 352.482 2.869 0 50 FFAA COc1ccc(Oc2cccc(CN3CC[C@@](O)(CN(C)C)C3)c2)cc1 72425173 ALFLTLBMSZUBNZ-OAQYLSRUSA-N 356.466 2.986 0 50 FFAA C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@@H]1CCNC1 237541832 VEGZQHDQSHMYRC-RULNRJAQSA-N 355.301 2.958 0 50 FFAA Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 72119508 IVRKMXJXTUCTTI-INIZCTEOSA-N 363.483 2.610 0 50 FFAA CC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 72165516 OZCCDQCCAUNVOB-HXUWFJFHSA-N 367.493 2.693 0 50 FFAA Cc1ncc(CC(=O)N2CCC(Sc3ccccc3C)CC2)c(=O)[nH]1 77469977 ROQFFTUAYVQNJD-UHFFFAOYSA-N 357.479 2.713 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2c(C)c(C)c(C)[nH]c2=O)[C@H](C)C1 72477693 FUUKTRWIVIMSTJ-CYBMUJFWSA-N 369.465 2.660 0 50 FFAA CCN(CC)[C@H]1CCN(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)C1 175076905 DILUSDDXXSDZBE-KRWDZBQOSA-N 356.474 2.832 0 50 FFAA O=C(O)[C@H]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C1 263145017 AOMXHFQIOVSTEC-JTQLQIEISA-N 361.225 2.626 0 50 FFAA COc1c(F)c(F)c(CN2CCC3(CC2)CN(C)C(=O)O3)c(F)c1F 77536307 PIOUAHOGGVEAFT-UHFFFAOYSA-N 362.323 2.668 0 50 FFAA CNC[C@@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)C1 178973663 UGDUKDPRXFAECV-LBPRGKRZSA-N 355.276 2.918 0 50 FFAA Cc1ccc2nc(COCC(=O)N3CCC[C@H](c4nccn4C)C3)[nH]c2c1 82108482 MQMKMNZRDVPQOX-HNNXBMFYSA-N 367.453 2.528 0 50 FFAA Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@H](CN)C2)cs1 178525772 BOFQWDCLHKZINP-LQYUOIDQSA-N 357.479 2.851 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCc1ccnc2ccccc12 426739071 OJDAIEJBRHVCSC-SFHVURJKSA-N 354.454 2.777 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)[C@@H](c1ccc2c(c1)OCO2)N(C)C 426612932 SIIGZFFCANQOKH-LJQANCHMSA-N 371.437 2.543 0 50 FFAA O=C1C[C@H](NCc2cc(=O)c3ccccc3[nH]2)CN1Cc1ccc(F)cc1 20256839 GWJIIVJISXBMMJ-KRWDZBQOSA-N 365.408 2.558 0 50 FFAA COCc1nc(NCc2cc3c(cc2OC)CCC3)cc([C@H]2CCOC2)n1 426550669 RMGXTZZMQLFYEU-INIZCTEOSA-N 369.465 3.236 0 50 FFAA COCCN(Cc1ccccc1F)C(=O)c1ccccc1-c1nc[nH]n1 97551378 OIYMIOGWNJGCOM-UHFFFAOYSA-N 354.385 2.900 0 50 FFAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCN(Cc2cccnc2)CC1 426485941 AAZMNJQDZOHGLO-YZGWKJHDSA-N 354.498 2.901 0 50 FFAA O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91737327 NEBNQMLVMRLTOF-GHTZIAJQSA-N 361.489 2.714 0 50 FFAA CC(C)=CC[C@]1(CO)CCCN(Cc2cc(=O)n3cc(C)sc3n2)C1 91690743 UJZIZPIIPDCBRF-LJQANCHMSA-N 361.511 2.995 0 50 FFAA O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2cncnc2)CC1 95520176 OFFQYQDDYUZCAX-UHFFFAOYSA-N 362.437 2.717 0 50 FFAA O=C(NCc1noc(-c2ccccc2)n1)c1cnc(-c2ccncc2)nc1 95367828 NKYNSOVFUVEVNY-UHFFFAOYSA-N 358.361 2.519 0 50 FFAA CC1(C)SC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)NC1=O 97551489 XJCOZLAMCKYEIG-INIZCTEOSA-N 358.507 2.503 0 50 FFAA Cn1c(Cn2cccn2)nnc1C1CCN(Cc2cccc(F)c2F)CC1 91350700 UWUOTFJMGPIBBF-UHFFFAOYSA-N 372.423 2.718 0 50 FFAA CNC(=O)[C@H]1CCCCN1Cc1cnc(SCc2ccccc2)nc1 97635083 HZGPLGGPSXWBFL-QGZVFWFLSA-N 356.495 2.869 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)N2CCC(c3nc4ccccc4n3C)CC2)C1 95352694 KJNVUCPFSKOMKD-QGZVFWFLSA-N 368.481 2.538 0 50 FFAA Cc1nc(-c2nc([C@@H](N)Cc3c[nH]cn3)n(Cc3ccccc3)n2)cs1 96135792 FXZJZAYCMKZUAQ-HNNXBMFYSA-N 365.466 2.724 0 50 FFAA CCN(CC)CCc1nnc(Nc2nc3c(s2)c(C)nn3C)s1 96140667 HQORNPSHMZWIKE-UHFFFAOYSA-N 351.505 2.818 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)c2cc(O)n[nH]2)C1 91894968 DNNCQYIESBAHSI-HNNXBMFYSA-N 369.400 2.884 0 50 FFAA Cc1cc(C)c2c(NC[C@@H](c3ccncc3)N3CCOCC3)ncnc2n1 95391805 WJSITACYLSGHKZ-KRWDZBQOSA-N 364.453 2.522 0 50 FFAA COCCn1cnnc1[C@H](C)NC(=O)Nc1cc(C)c(F)cc1Cl 95515231 SEZIIRCAFJPWFT-JTQLQIEISA-N 355.801 2.908 0 50 FFAA O=C(c1ccncc1O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95511542 HXDQWHQLPGJSAU-DFQSSKMNSA-N 367.424 2.629 0 50 FFAA O=C(NCc1nncn1C1CCCCC1)c1ccc(N2CCOCC2)cc1 244574981 CUQKPORDHGQUFE-UHFFFAOYSA-N 369.469 2.550 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3cccc4ccnn34)cc2)[C@H](C)C1=O 534633568 NSUPVTOKYLNONM-OAHLLOKOSA-N 362.433 2.694 0 50 FFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(C(=O)c1cc(C3CC3)n[nH]1)CC2 299766751 RRQXDCAOFKCMDK-MOXGXCLJSA-N 359.470 2.866 0 50 FFAA Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NC[C@H](O)c1ccc(O)cc1 299803076 WBLBGBYYZDFDSW-SFHVURJKSA-N 371.437 2.694 0 50 FFAA Cc1ccc(CNc2ncnc3sc(C(=O)N4CCOCC4)c(C)c23)o1 299767832 VXUREOMTCCTFHW-UHFFFAOYSA-N 372.450 2.986 0 50 FFAA CCc1nc2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2n1CC 823582680 ZNUMTAGLGVDTSK-UHFFFAOYSA-N 361.409 2.847 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)CN2CCOc3ccccc3C2)c1 824774868 IFAZKKSZXOHQTR-LJQANCHMSA-N 352.434 2.863 0 50 FFAA CCCn1cc(CNC(=O)c2cccc(-c3ncc(F)c(OC)n3)c2)cn1 584886813 SEDYRGCGHODFLG-UHFFFAOYSA-N 369.400 2.828 0 50 FFAA CC(C)C[C@@H](C(=O)NCc1nn(C)cc1Cl)N(C)C(=O)OC(C)(C)C 1449835821 BMZLCRVWSVWWOQ-AWEZNQCLSA-N 372.897 2.971 0 50 FFAA CCc1nnnn1-c1ccccc1NC(=O)C[C@H]1OCCc2ccsc21 1875259474 MQVRGOPBFACFRO-OAHLLOKOSA-N 369.450 2.929 0 50 FFAA CCn1c2ccccc2c2cc(NC(=O)Cn3c(C)noc3=O)ccc21 1875391526 QTNGLQCJCHHVSF-UHFFFAOYSA-N 350.378 2.911 0 50 FFAA C[C@H]1CN(C(=O)[C@H]2C[C@H]2C)C[C@H](C)C1N=c1[nH]c(Cl)ncc1Cl 1875407798 HYIDYLTUWAIGHN-RCWTZXSCSA-N 357.285 2.756 0 50 FFAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccc(Oc2ccccc2)nc1 887023861 LTDSABNPFLBSAT-IAGOWNOFSA-N 354.406 2.534 0 50 FFAA O=C(CSc1ccc(Cl)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1 1565527107 QNPQVKYUKXOYDF-RANZSIQMSA-N 366.914 2.800 0 50 FFAA Cc1oc2ccccc2c1CNC(=O)N1CCCN(c2cccnn2)CC1 185603691 PELCYIMHPFDFLE-UHFFFAOYSA-N 365.437 2.953 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCO1)CC2 275712839 OFEWEELZOJBUJB-DLBZAZTESA-N 362.495 2.657 0 50 FFAA O=C(Cn1nnc(COc2ccccc2)n1)N[C@@H](c1ccccc1)C1CC1 170621459 CTVLHCQOWVDBQK-FQEVSTJZSA-N 363.421 2.520 0 50 FFAA COC(=O)N1CCC[C@@H](C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1 171485602 NSDBUZOBDPJTMY-CYBMUJFWSA-N 360.389 2.737 0 50 FFAA COc1ccc([C@H](C)NC(=O)[C@@H]2COCCN2C2CCCC2)cc1F 188461612 BZTGRKOSMMELSI-GUYCJALGSA-N 350.434 2.655 0 50 FFAA O=C(c1cccn2c(O)nnc12)N1CCC(c2cc3ccccc3[nH]2)CC1 780914417 CKVOMLJQAHEEHZ-UHFFFAOYSA-N 361.405 2.936 0 50 FFAA Cc1ccc(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)cc1 1529174779 XZEVWGFAAOAHHP-IEBWSBKVSA-N 354.450 2.609 0 50 FFAA CCc1ccc(CN2C[C@@H](C(=O)Nc3c(C)cnn3CC)CC2=O)cc1 1529171999 CEDBDUZAIWTICQ-KRWDZBQOSA-N 354.454 2.761 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3nccnc3OC)CC1)OCC2 1704329461 VDTQJZLCRXZVCD-UHFFFAOYSA-N 371.437 2.571 0 50 FFAA CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O 5820100 KBHLXKOKUVJZIS-MKXGPGLRSA-N 370.486 2.878 0 50 FFAA in-vitro COc1cc(C)ccc1OCc1nc(C(=O)NCc2nc(C)c[nH]2)co1 12317373 GXFLHBJETTYNHX-UHFFFAOYSA-N 356.382 2.532 0 50 FFAA Cn1cc(/C=C/C(=O)N[C@H]2CCCN(c3nc4ccccc4s3)C2)cn1 12431788 HRUADKROEKQYBF-HVHJFMEUSA-N 367.478 2.828 0 50 FFAA COCCCN[C@@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl 19805939 XLDPMXSKTYVVKY-ZDUSSCGKSA-N 353.677 2.668 0 50 FFAA Cc1ccccc1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCCC3 169769503 AVWDLGOWZICXCQ-UHFFFAOYSA-N 350.422 2.712 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@]23CC[C@H]1O3 1857717815 ZNJUWGPKDGOWKJ-XKGFGPFHSA-N 371.481 2.923 0 50 FFAA O=C(CCO)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857740401 HUBAPGJCRCPZDW-HXUWFJFHSA-N 374.525 2.857 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CCC([C@H]2C[C@H](N)CCO2)CC1 333267429 JUQNQBOGXNUTQX-IEBWSBKVSA-N 368.481 2.539 0 50 FFAA C[C@H](c1nnnn1-c1ccccc1)N1CCO[C@@]2(CCc3ccccc32)C1 245504665 FEIMDXKFVQKFAK-IERDGZPVSA-N 361.449 2.897 0 50 FFAA O=C(Cc1csc(-c2cccnc2)n1)NCc1ccc2c(c1)CC(=O)N2 1875252559 OLBHLRQLVBENEX-UHFFFAOYSA-N 364.430 2.559 0 50 FFAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 248129443 MUTJTMDPBRRTLL-DYVFJYSZSA-N 352.438 2.780 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1)[C@@H]1CCc2cc(F)ccc21 913560776 GFNFOHNBOXGABU-SJORKVTESA-N 366.396 2.779 0 50 FFAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)O[C@H]1[C@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23 838956657 WDYRIINQTDDQHB-CUMZHOCSSA-N 370.323 2.966 0 50 FFAA CN(Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[C@H]1COC2(CCC2)CN1 2325809188 NDOZAVHDGPAKHL-CQSZACIVSA-N 360.351 2.714 0 50 FFAA Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCCc4cccnc43)C2)no1 2325839169 KYGWDDCACFORSU-QZTJIDSGSA-N 354.454 2.531 0 50 FFAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)NCCCN(C(=O)C1CCC1)C1CC1)C2 2325863353 FZSPCECEUMOWSQ-LJQANCHMSA-N 373.472 2.768 0 50 FFAA CC(C)CCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 627260 LMTGHRYKPIXNCU-UHFFFAOYSA-N 358.467 2.762 0 50 FFAA COc1cccc(C2=NN(C(=O)c3ccncc3)[C@@](O)(C(F)(F)F)C2)c1 910777 KMPFBRCJZBJHMV-INIZCTEOSA-N 365.311 2.591 0 50 FFAA COC(=O)c1ccccc1NC(=O)NCCc1ccc(OC)c(OC)c1 1121253 CQEBAAGJDQCBJD-UHFFFAOYSA-N 358.394 2.855 0 50 FFAA CC(=O)N1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 1180489 BQXQVFLIHLTFOC-UHFFFAOYSA-N 364.660 2.664 0 50 FFAA CC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2)cc1 1180518 HBOMNHLYEQJROP-UHFFFAOYSA-N 357.435 2.845 0 50 FFAA COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(C)CC2)n1 2242295 XNGHXUFSROJXEF-UHFFFAOYSA-N 352.360 2.923 0 50 FFAA CC(C)c1ccc(OCc2ccc(C(=O)NN3CCN(C)CC3)o2)cc1 2750779 ARHKIKCWHXLUBS-UHFFFAOYSA-N 357.454 2.874 0 50 FFAA O=S1(=O)C[C@@H]2[C@H](C1)N(c1ccccc1)C(=S)N2c1ccc(F)cc1 4168075 KPSMOCQPWHFTJP-JKSUJKDBSA-N 362.451 2.603 0 50 FFAA O=C(O)C1[C@@H](c2ccccc2)C(C(=O)OCCCO)[C@@H]1c1ccccc1 4410294 PCFRNRNCXSRKCS-YYZRRKBYSA-N 354.402 2.810 0 50 FFAA CCOC(=O)C(CCOCCOc1cccc(OCC)c1)C(=O)OCC 4845279 NKDMXPXNHGOXNO-UHFFFAOYSA-N 368.426 2.613 0 50 FFAA COc1ccc(OC)c(CSc2nnc(CC3CCNCC3)n2C)c1 65531738 QLVYAXYHDUYNIA-UHFFFAOYSA-N 362.499 2.667 0 50 FFAA CCOc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20190220 UYQKNNDMIJSYTB-UHFFFAOYSA-N 353.466 2.842 0 50 FFAA O=C(Cn1ccc(=O)cc1)NCc1cccnc1Oc1ccc(F)c(F)c1 67559724 SUERFYOLYMQRKX-UHFFFAOYSA-N 371.343 2.630 0 50 FFAA O=C(CCOCC(F)F)N(Cc1ccsc1)[C@H]1CC12CCNCC2 423579996 QEAJPPBKHUPHOT-AWEZNQCLSA-N 358.454 2.891 0 50 FFAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)CNC(=O)C(C)C)CC2)c1 67724813 HVRYRNYYXMLBTC-UHFFFAOYSA-N 368.481 2.863 0 50 FFAA CCCn1ccnc1CN1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 67851624 HYCPMFMLZXIJGL-FQEVSTJZSA-N 365.437 2.893 0 50 FFAA CC(=O)Nc1ccc(-c2cn(C[C@@H]3CC(=O)N(C4CCCC4)C3)nn2)cc1 67884155 CDYCFBJLLGVMBY-HNNXBMFYSA-N 367.453 2.695 0 50 FFAA Cc1ccc(NC(=O)N2C[C@@H]3CC[C@@H](N)[C@H]3C2)cc1C(=O)N1CCCCC1 333346836 QSYZKXCVHKSLBR-ZYSHUDEJSA-N 370.497 2.822 0 50 FFAA Cc1ccc(C)c(-n2cnc(=O)n2CC(=O)N[C@H](C)c2ccccc2)c1 124294627 WGZXFJRMTLJELP-MRXNPFEDSA-N 350.422 2.528 0 50 FFAA Cc1ccc(O)c(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)c1 71749242 UOXIPCVXXKVCGR-UHFFFAOYSA-N 352.438 2.598 0 50 FFAA NC(=O)c1csc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 77406958 CXAOPMGFCPZZBS-UHFFFAOYSA-N 371.384 2.749 0 50 FFAA C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCCS4(=O)=O)cc3c2C1 154377601 ZPXWAPSJGABMSM-TZMCWYRMSA-N 360.479 2.600 0 50 FFAA C[C@](O)(CNC(=O)Nc1cnc2c(c1)COCC2)c1cccc(Cl)c1 363801190 BFVGCFHOZJZINS-SFHVURJKSA-N 361.829 2.837 0 50 FFAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc(NS(C)(=O)=O)cc1 331568340 PQHQRYNTCZNGLV-KDOFPFPSSA-N 374.462 2.660 0 50 FFAA CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](CCN)C(F)F)c12 449610209 FWCKQKNGGNZFOW-LBPRGKRZSA-N 352.385 2.765 0 50 FFAA CCc1oc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1C(=O)O 261731148 YGCQKCPAVXVXRG-CYBMUJFWSA-N 373.331 2.924 0 50 FFAA Cc1cc(N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)nc(N)n1 72153597 HUNKIIULGISTLM-NRFANRHFSA-N 351.498 2.902 0 50 FFAA O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1CCCC[C@@H]1CCO 378449039 FDMFPHCGPUVZGR-VQTJNVASSA-N 359.514 2.845 0 50 FFAA Cc1ccccc1Cc1nnc(CN2CCOC[C@H]2c2cccn2C)o1 131948483 INYJVTUPOCIZQJ-SFHVURJKSA-N 352.438 2.881 0 50 FFAA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCc1n[nH]c3c1CCC3)O2 215945659 HNNOYMMQDOXHAC-OAQYLSRUSA-N 369.465 2.929 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCCN3CCCC3)CC2)OC1=O 77516849 PXVKQHJICPOVKO-KRWDZBQOSA-N 365.518 2.864 0 50 FFAA C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccccc3)on1)C2 221417280 ABQQEXLHUAKPRO-ZDUSSCGKSA-N 352.394 2.638 0 50 FFAA O=S(=O)(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc(F)cc1 177582142 MVVDRQGMLOZROQ-UHFFFAOYSA-N 351.403 2.834 0 50 FFAA OCCCNc1nc(Nc2ccc3c(c2)OCCO3)nc2ccccc12 41150300 GWKNMEAZOGMPQE-UHFFFAOYSA-N 352.394 2.939 0 50 FFAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)c1nc(-c2ccncc2)no1 426567189 ZMXOHZAAFHBDAS-ZDUSSCGKSA-N 369.429 2.548 0 50 FFAA Cc1ccc(C(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c(C)c1 82230392 NAYMAHRIHZBVRZ-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H]1c1c(C)noc1C 426734295 MDRPMTGVUGGDMJ-INIZCTEOSA-N 368.441 2.642 0 50 FFAA Cc1cc(CNC(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)on1 426667328 GNXRPRCCOYXQFN-AWEZNQCLSA-N 368.397 2.517 0 50 FFAA COc1cccc(N2CCN(C(=O)NCc3ccc(C)o3)[C@H](C)C2=O)c1 426395386 OBEJJVKMPFACRO-CQSZACIVSA-N 357.410 2.544 0 50 FFAA Cc1c(Cl)c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)nn1C 82106907 GMHHZICQZGDMGK-MRXNPFEDSA-N 361.873 2.838 0 50 FFAA CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1C 91593721 ICPJVQAHAFWBPF-RBUKOAKNSA-N 352.482 2.948 0 50 FFAA Cc1ccc([C@H](C(=O)NCCc2nc(C)c3c(n2)CCC3)N(C)C)cc1 95365218 WNAHBWKICVPGRK-HXUWFJFHSA-N 352.482 2.544 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)O 95380093 AFNOQBODOPDOJZ-GOSISDBHSA-N 370.453 2.568 0 50 FFAA COc1ccc(CNC(=O)CN2C[C@H](c3ccccc3)CC2=O)c(F)c1F 96151005 HBKGPMMPBNFDEV-OAHLLOKOSA-N 374.387 2.606 0 50 FFAA Clc1ccc(CN2CCCO[C@H](CN3CCOCC3)C2)cc1Cl 97436854 UBNNHLXZCQRKKT-OAHLLOKOSA-N 359.297 2.917 0 50 FFAA Cc1cc(C)n(CCCN(C)C(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)n1 91587524 VSSJJDDZFDFWHU-MRXNPFEDSA-N 358.417 2.614 0 50 FFAA COc1ccccc1-n1cc(C(=O)N2CCC[C@H]2c2nonc2C)cn1 91504725 PDOHOHQNBSLUBO-HNNXBMFYSA-N 353.382 2.550 0 50 FFAA CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2F)C1 91494377 WYZGSFSFZCXRAL-CQSZACIVSA-N 351.447 2.919 0 50 FFAA Cc1ncsc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2CC(C)C 92081111 RXGSDTUKCPLVPP-UHFFFAOYSA-N 373.526 2.820 0 50 FFAA CN(C)[C@@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1cccs1 95364252 NEKJJWAICNAIJM-HNNXBMFYSA-N 353.451 2.633 0 50 FFAA Cc1ccc2nc(C)c(C)c(C(=O)NCc3nc(-c4ncccn4)no3)c2c1 95526338 AOWKHGDUBMSFEF-UHFFFAOYSA-N 374.404 2.930 0 50 FFAA COCc1noc([C@H](C)N2CCN(Cc3ccccc3Cl)CC2)n1 182031400 SNEOIHFIMHKVEP-ZDUSSCGKSA-N 350.850 2.748 0 50 FFAA CC(C)(C)n1cc(CN2CCN(Cc3ccc(C(=O)O)cc3)CC2)cn1 296773910 FYTNVBTTXIVSKL-UHFFFAOYSA-N 356.470 2.654 0 50 FFAA Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C)CO)c(C)c3cc12 253411243 OJUYMNFERRCQPO-NSHDSACASA-N 357.406 2.894 0 50 FFAA biogenic Cc1cccc(CS(=O)(=O)N2CCN(c3nccc(C(C)C)n3)CC2)c1 184268614 WOSGOKCVDJMPGP-UHFFFAOYSA-N 374.510 2.560 0 50 FFAA Cn1c(C(=O)N2CC[C@@H](CN)C2)ccc1-c1ccc(Br)cc1 299739964 UDWVHOVQZGYMRC-LBPRGKRZSA-N 362.271 2.875 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCCN(c2ccccc2F)C1 184406856 WQZAIXBAAYVNFF-CYBMUJFWSA-N 354.389 2.659 0 50 FFAA COc1ccnc(N2CCN(Cc3cncn3C3CCCCC3)CC2)n1 252502621 URRISWYEGQORHH-UHFFFAOYSA-N 356.474 2.509 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N1CCCN(c2nc3ccccc3s2)CC1 299788876 YMSNLMXYNMKRLZ-UHFFFAOYSA-N 369.494 2.918 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2CC(=O)OC23CCCC3)cc1 299759986 SGFLIWAWVNAWCQ-MRXNPFEDSA-N 369.421 2.577 0 50 FFAA Cc1cnn(C2CCCC2)c1NC(=O)NC1CCN(c2cnccn2)CC1 299775937 MBDAXAXLTNHKBU-UHFFFAOYSA-N 369.473 2.887 0 50 FFAA CC1(C)C[C@@]1(CNC(=O)CCC(=O)Nc1nncs1)c1ccccc1 670441741 DWCPCINCRPQAMB-GOSISDBHSA-N 358.467 2.741 0 50 FFAA O=S(=O)(Nc1cn(CC(F)(F)F)cn1)c1cccc2c1OCCC2 1875280953 IAOKAKBMRZTWAR-UHFFFAOYSA-N 361.345 2.571 0 50 FFAA C[C@@H](C(=O)NC[C@H](O)c1ccc(F)cc1F)n1ccc(C(F)(F)F)n1 1875269499 INFMZHMVSDTRCQ-UFBFGSQYSA-N 363.286 2.591 0 50 FFAA C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)[C@@]2(C)C[C@@]2(F)Cl)C1 1875383509 WWXWMOMDDGYPAE-OAOYMFHYSA-N 364.848 2.820 0 50 FFAA Cc1nc2c(cc1NC(=O)[C@@H]1[C@H]3CC[C@@]1(c1ccnn1C)C3)c(C)nn2C 1875395320 AQWVRQPCGTXRKN-ROOHIHILSA-N 364.453 2.625 0 50 FFAA COc1ccc(C(=O)OCC[C@H]2CCc3ccccc32)cc1-n1cnnn1 1875322808 ISYZNLQSCKRIHP-OAHLLOKOSA-N 364.405 2.948 0 50 FFAA O=C(CCC(=O)Nc1nncs1)NCc1ccc(-c2ccc(F)cc2)o1 952869327 HHXNUAVIAUPCIN-UHFFFAOYSA-N 374.397 2.972 0 50 FFAA CC(=O)N1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C(F)(F)F 886059614 CSJZLCSZXQMOJN-HUUCEWRRSA-N 354.372 2.776 0 50 FFAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)c2cc(F)c(Cl)cc2F)n1 886085393 GEEXJZMADSMNNP-SDBXPKJASA-N 357.744 2.817 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565526084 QPCNAASDLWLESM-ICSRJNTNSA-N 365.433 2.527 0 50 FFAA O=C(N[C@H]1CNCC[C@@H]1O)c1cc(-c2ccco2)nc2c(Cl)cccc12 1565515823 XNPFAOXRECSQKI-HOTGVXAUSA-N 371.824 2.601 0 50 FFAA COCCN1C(=O)C[C@@H](CNC[C@H]2C(C)=CCC[C@H]2C)[C@@H]1c1cnn(C)c1 275275334 JQPIBBNYJXGPIV-QRKMNUTDSA-N 374.529 2.538 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC1CCN(c2ccccn2)CC1 275683091 WKMZWQJEXVFYAQ-PXNSSMCTSA-N 355.486 2.521 0 50 FFAA CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cnc(C(C)C)s2)C1 225624300 FEBJPUZMMHNTID-KRWDZBQOSA-N 354.472 2.698 0 50 FFAA CC(C)(C)n1cc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)nn1 190755670 VERPFYXBAARCND-CQSZACIVSA-N 361.515 2.737 0 50 FFAA COc1ccc(C2(C(=O)NC[C@@H](O)c3cccc(C)c3)CCOCC2)cc1 769304050 KGVSOQACXOJYNM-HXUWFJFHSA-N 369.461 2.902 0 50 FFAA CCOc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)cc1OC 1529109920 HBVGDQBRCMYKBT-WOJBJXKFSA-N 371.433 2.669 0 50 FFAA Cc1ccc(N2CCC(N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)CC2)cc1 1529105033 VKYMHGYPWLTVIX-DYESRHJHSA-N 354.498 2.531 0 50 FFAA O=C(CCC(F)(F)F)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529144120 MKEKJOUOHHAZMW-CZUORRHYSA-N 352.356 2.939 0 50 FFAA CSc1cccc(NC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)C2)c1 1772700921 GMIHTQPYVNEJKC-INIZCTEOSA-N 355.463 2.984 0 50 FFAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1COc2ccccc2O1 5904051 OELRYSNLFJGVQV-SFHVURJKSA-N 352.390 2.701 0 50 FFAA CCn1ccnc1CN(C)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1 12303179 SVMITNBSJWFBLM-UHFFFAOYSA-N 362.437 2.901 0 50 FFAA COc1cc2oc(=O)c(CC(=O)Nc3ccccn3)c(C)c2cc1OC 12324572 MMUVHRLNPKUFKR-UHFFFAOYSA-N 354.362 2.695 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(CCCSC)C2)c1 12467897 XDSIHGYASVLNCM-OAHLLOKOSA-N 366.527 2.899 0 50 FFAA Nc1nc(SCC(=O)NC2CCCCC2)[nH]c(=O)c1-c1ccccc1 13108901 MZKFIIQHKRRXIB-UHFFFAOYSA-N 358.467 2.560 0 50 FFAA COc1ccc(Cl)cc1NC(=S)N1CCN(c2ncccn2)CC1 13497312 XRUDSXVMQGIJNZ-UHFFFAOYSA-N 363.874 2.658 0 50 FFAA CCN(CC)Cc1cc(-c2nccn2C[C@H]2CN(C)CCO2)ccc1OC 1857676795 SNLRKHLINLHVMS-LJQANCHMSA-N 372.513 2.731 0 50 FFAA Cc1nn(C)c2c1[C@H](NC(=O)CCCc1nc(-c3ccco3)no1)CCC2 1857681555 FYVZAETUMSSNFF-CYBMUJFWSA-N 369.425 2.888 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccncc2Cl)[C@H]1c1ccccc1 1857716412 LJSXZHPHRMNKOL-ROUUACIJSA-N 359.857 2.879 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(-n3cccn3)cc2)C[C@H]1N 1857733474 LUOVAJIDIFIKGS-DFQSSKMNSA-N 370.497 2.753 0 50 FFAA O=C(N[C@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1cccn1C(F)F 1857734515 LCCWOIQGPMEIKX-YQQAZPJKSA-N 361.392 2.827 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)c1 451827784 HDJCRJGSHGTORH-UHFFFAOYSA-N 371.865 2.809 0 50 FFAA CNC(=O)CCCn1cc(NC(=O)c2c(-c3ccccc3)noc2C)cn1 1875247965 WWUSYMWCWWFQAI-UHFFFAOYSA-N 367.409 2.625 0 50 FFAA CCc1ccc(-c2nc(C)c(C(=O)N3CCO[C@@H](CC(=O)O)C3)s2)cc1 236992852 TYECPOWZCIAJJH-HNNXBMFYSA-N 374.462 2.997 0 50 FFAA Cc1ccnc(N2CCN(C(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)c1 162743823 UQPQXUCISWTDMB-UHFFFAOYSA-N 366.465 2.947 0 50 FFAA CCC[C@@H](CNC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)O 836756402 HCOCWWAPESDKBG-HOTGVXAUSA-N 360.454 2.664 0 50 FFAA C[C@]1(C(F)F)C[C@@H]1C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 2325792424 AFXDIKJEMPKNTG-XIKOKIGWSA-N 351.397 2.618 0 50 FFAA O=C(c1occc1COc1ccccc1)N1CC[C@@H](C(F)(F)CO)C1 2325810554 RDNDKHJLOKZVEK-CQSZACIVSA-N 351.349 2.948 0 50 FFAA CN1C[C@]23CCC[C@@]2(C1)CN([C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C3 2325828559 KSMCOCNTQITDPG-NRSPTQNISA-N 357.473 2.563 0 50 FFAA C[C@H]1CCNC(=O)[C@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2325839618 ZJAJZQWPEBEAPQ-BBRMVZONSA-N 363.417 2.997 0 50 FFAA CN1C(=O)N(C[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)S(=O)(=O)c2ccccc21 2325867960 KDOWHIQCAQFRGK-IJLUTSLNSA-N 356.394 2.929 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Cc3noc4ccccc34)CC2=O)cc1 20856469 RYKZHUVMZLCYLT-UHFFFAOYSA-N 363.417 2.550 0 50 FFAA CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 1114110 RNDBTSRGPRJMGM-UHFFFAOYSA-N 352.500 2.681 0 50 FFAA COc1ccccc1N1CCN(C2CCN(Cc3ccccn3)CC2)CC1 1167858 WCJLQSZSUJQJNV-UHFFFAOYSA-N 366.509 2.877 0 50 FFAA COC1(c2ccccc2)CCN(c2ccc(CS(C)(=O)=O)cn2)CC1 2356134748 AJBMIJWFCYLROL-UHFFFAOYSA-N 360.479 2.768 0 50 FFAA CSc1nsc(SCC(=O)Nc2cccc3nsnc23)n1 2348529 JHSGJXJYQNEMGC-UHFFFAOYSA-N 355.495 2.996 0 50 FFAA Cc1oc(-c2ccccc2F)nc1CN1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356149307 UFNXQKHIUXIGMN-QIJLZVCCSA-N 358.413 2.761 0 50 FFAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)OC)cc1 2776441 BIODKPOYUCPOBH-MRXNPFEDSA-N 360.410 2.787 0 50 FFAA CCCSc1ncc(CNCCc2nc(-c3ccccn3)no2)cn1 55169078 CLPOEVVPIQGSER-UHFFFAOYSA-N 356.455 2.756 0 50 FFAA Cc1cnc(N2CCC(Oc3ccccc3F)CC2)nc1-c1ncnn1C 23369504 GVJJJAFNFFTCDN-UHFFFAOYSA-N 368.416 2.767 0 50 FFAA Cc1ccc(F)cc1CC(=O)N(CCN1CCOCC1)Cc1ccco1 55414272 JPEXHOHYXIAUDM-UHFFFAOYSA-N 360.429 2.631 0 50 FFAA CCc1n[nH]c(SCC(=O)N(C)Cc2cc(-c3ccccc3)[nH]n2)n1 55360619 LNUTYMLMUKTTTB-UHFFFAOYSA-N 356.455 2.508 0 50 FFAA O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10052321 HUZCFBLJXYEKRS-UHFFFAOYSA-N 373.459 2.874 0 50 FFAA CCN(CCN1CCCCCC1)C(=O)CCn1cnc2ccccc2c1=O 65406970 WTIMIMKBJZEPMO-UHFFFAOYSA-N 370.497 2.511 0 50 FFAA COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cccnc2S)C1 151461742 YZORJWITXSTOQB-GJZGRUSLSA-N 356.447 2.789 0 50 FFAA O=C(CCn1ccc2cc(Br)ccc21)N1CCC[C@H]1CO 170622183 OQYRCGIFSLRUKH-AWEZNQCLSA-N 351.244 2.777 0 50 FFAA COc1nc(N2CCCCCC2)nc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 252516266 RCFIMJIDZJOAQQ-RRFJBIMHSA-N 361.490 2.510 0 50 FFAA CC[C@@H](O)CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 67688383 RHOLWRQXSHULBN-QGZVFWFLSA-N 360.433 2.682 0 50 FFAA C[C@H]1C[C@@H](NC(=O)N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2nccn21 334093573 PRTCUIGELCSEFZ-HEQLZXTPSA-N 362.455 2.523 0 50 FFAA O=S(=O)(N1CCc2ccccc2C1)N1CCC[C@H](Nc2ccccc2)C1 330116573 VQUZTSQPBJNOKU-FQEVSTJZSA-N 371.506 2.866 0 50 FFAA COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CCCN3)CC2)c1 67852496 LGTCECAFTUTFLU-SFHVURJKSA-N 354.454 2.543 0 50 FFAA CCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C[C@H](C)O)cc1 330951246 ICAIORUMEFIHPC-YOEHRIQHSA-N 368.499 2.604 0 50 FFAA O=C(Nc1nc2ccccc2s1)c1n[nH]cc1I 680021 IFDQCPMCSOCQDP-UHFFFAOYSA-N 370.175 2.876 0 50 FFAA CCCc1ncncc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 216035862 XUFIGHNDHBVFQS-UHFFFAOYSA-N 365.412 2.969 0 50 FFAA CC1(C)CN(C(=O)[C@]2(O)CCOC2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 331566336 JWVLWWBEVGGLRA-YOEHRIQHSA-N 373.371 2.535 0 50 FFAA Cc1csc(CN(C)Cc2cccc(OCCN3CCOCC3)c2)n1 216503811 KDVAZLGLDAVBSV-UHFFFAOYSA-N 361.511 2.795 0 50 FFAA Nc1nc(C2CCCC2)ncc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 332843316 MZNUZBPSIGEUEJ-BMFZPTHFSA-N 356.470 2.794 0 50 FFAA CCn1cnnc1[C@@H]1CCCN(Cc2ccc3c(c2)CCC(=O)N3C)C1 372283856 VHEZAVLAUTUWHZ-QGZVFWFLSA-N 353.470 2.587 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H](C(=O)O)c1ccccc1 262772705 MNCMMGXQDSLJHZ-KRWDZBQOSA-N 366.421 2.919 0 50 FFAA O=C(c1ccc(-n2cnnc2)nc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72420136 LYWLLPANZWPNRH-OAHLLOKOSA-N 373.420 2.558 0 50 FFAA Cc1cnn(C2(C(=O)O)CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)c1 77459938 DPXOBJCOOFRIAY-UHFFFAOYSA-N 371.466 2.719 0 50 FFAA CCC1(CC)[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C[C@H]1OC 246206551 BOEUSJWGNRNKGW-KBAYOESNSA-N 374.481 2.707 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2ccccc2OC(F)(F)F)C1 215284759 GJCDWHMGKYHHOZ-GFCCVEGCSA-N 351.390 2.842 0 50 FFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 175775289 CNAMGCKKGXIKFG-MAUKXSAKSA-N 374.444 2.989 0 50 FFAA O=C(CSc1ccc2nncn2n1)Nc1cccc(Br)c1 44903047 ZZGRITLITKPGKD-UHFFFAOYSA-N 364.228 2.618 0 50 FFAA O=C1CC[C@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)CN1CCCO 82121299 UWZVSOFAJXLJTQ-LJQANCHMSA-N 364.873 2.567 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)COc1ccc(F)cc1F 220373573 PAKBCNLOWKRTHI-NVXWUHKLSA-N 355.381 2.600 0 50 FFAA O=c1cc(-c2ccncc2)nc(-c2ccccc2CN2CCCOCC2)[nH]1 48090889 HLOZPWFIJPFXGR-UHFFFAOYSA-N 362.433 2.721 0 50 FFAA CC(C)Oc1ccccc1-c1cccc(C(=O)NC[C@@H]2CNCCO2)c1 426534448 MDRLXDKTPBCMSX-SFHVURJKSA-N 354.450 2.859 0 50 FFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2nc3ccccc3[nH]2)n1 426414224 CRXSOCWDNPQJAL-UHFFFAOYSA-N 363.343 2.582 0 50 FFAA Cc1ccoc1C(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 426478036 PKCOYZRRKVNXTR-MRXNPFEDSA-N 371.485 2.722 0 50 FFAA COc1cc(C)c(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc1C 91551177 MGLRQPPZSSYHSZ-UHFFFAOYSA-N 360.498 2.509 0 50 FFAA COc1cc(C)c([C@@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c(C)c1 95388678 FDIXFDFEKZCLEG-FQEVSTJZSA-N 369.465 2.651 0 50 FFAA COCc1cccc(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 97766687 KOUCDRLTUKERRB-KRWDZBQOSA-N 357.429 2.762 0 50 FFAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@H]1COc2ccccc2C1 91254230 IUHCNQKRADDERH-QGZVFWFLSA-N 363.417 2.570 0 50 FFAA Cc1nn(CCC(=O)N2CCC[C@H](OCc3cccnc3)C2)c(C)c1C 91288706 GYMKNRKHONRVQS-IBGZPJMESA-N 356.470 2.801 0 50 FFAA CCn1ccnc1C1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 91269737 LZCOZPJZTZBUTM-UHFFFAOYSA-N 366.465 2.655 0 50 FFAA Cc1nccn1CCC(=O)N1CCc2[nH]c(-c3ccc(F)cc3F)nc2C1 96153799 HAFUNSSIFUTLJZ-UHFFFAOYSA-N 371.391 2.835 0 50 FFAA O=C(c1ccccn1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95496749 KGPFOUPCPZMHLL-AWEZNQCLSA-N 353.451 2.803 0 50 FFAA CC[C@@]1(C(=O)O)CCCN(CCC(=O)NCc2ccccc2Cl)C1 91966047 JMAAGSXOUBNCGG-GOSISDBHSA-N 352.862 2.923 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1 91636152 XFNAKUSDCQVRRC-SFHVURJKSA-N 363.461 2.928 0 50 FFAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3[nH]ccc3c1)C2 91906496 FSFSXLHNZZWUON-SJLPKXTDSA-N 361.449 2.695 0 50 FFAA CCCc1nc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cs1 91390730 FXGGKVZNKOMJDL-UHFFFAOYSA-N 372.494 2.659 0 50 FFAA CC(C)(C)OC(=O)N1CCN([C@@H](Cc2ccc(Cl)cc2)C(=O)O)CC1 526056009 TVCKYHKNEULKGU-HNNXBMFYSA-N 368.861 2.888 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244828612 TZIWAOPLLBBCGW-XJKCOSOUSA-N 366.870 2.834 0 50 FFAA CCOCCn1nc(C)cc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252535795 GWWUJQSNDZNFKP-VBQJREDUSA-N 363.483 2.532 0 50 FFAA Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc1O 252572413 ZGBCWPJHBZSJOI-QKLQHJQFSA-N 353.418 2.878 0 50 FFAA CCOc1cc(CNC(=O)N2CC(N3CCCC[C@H]3C)C2)ccc1OC 534660386 LXPWONPXQRURRR-OAHLLOKOSA-N 361.486 2.862 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2cc3ccc(F)cc3nc2O)C1 534665525 QRYFEEPUQMREPT-ZDUSSCGKSA-N 372.444 2.848 0 50 FFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCc1ccccc1Cl 67126022 IPEHXXSDRDYVOP-IJEWVQPXSA-N 367.902 2.682 0 50 FFAA biogenic CN(CC[C@@H]1CCCCO1)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 299790099 BQUUYDBCNJCWKS-INIZCTEOSA-N 374.441 2.508 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1nc(C2CCCCC2)no1 299764934 XCFDQMYLXLYLRR-UHFFFAOYSA-N 357.458 2.968 0 50 FFAA CC(C)CN1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C)[C@H](C)C1=O 299758859 DQIZVFSWUBYYCL-OAHLLOKOSA-N 369.469 2.808 0 50 FFAA CCCC(=O)c1cn(CC(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c2ccccc12 822755411 XEAGBPDXLZSAIM-NVXWUHKLSA-N 367.449 2.560 0 50 FFAA CCOc1ccc(CCCNC(=O)N2CCC3(CCC(=O)NC3)CC2)cc1 584896642 IBYHKFRAZYPMNA-UHFFFAOYSA-N 373.497 2.720 0 50 FFAA CCO[C@H]1COC[C@@H]1NC(=O)N(Cc1ccccc1)Cc1nccs1 584901462 HLNOOCWYADELKN-HOTGVXAUSA-N 361.467 2.659 0 50 FFAA O=C(OC[C@H]1CCCO1)[C@H]1CC=CC[C@H]1C(=O)NCCc1ccccc1 584904279 DOMSWSYBDLOIME-QRVBRYPASA-N 357.450 2.650 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCCC3)cc1 1875373444 AZFDPOHIGLEWFR-UHFFFAOYSA-N 363.417 2.764 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCc2c(F)cc(F)cc2C1 1875314891 YJXGSFOLRGARAR-MNOVXSKESA-N 361.392 2.919 0 50 FFAA CC(C)[C@@H](NC(=O)/C=C/CN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1875378687 JBAXWWJIAQICQK-GFOMBABLSA-N 367.534 2.892 0 50 FFAA CC(=O)Nc1ccc(N(C)C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)cc1 1875310785 CDUAANWEHJSVAS-SFHVURJKSA-N 355.369 2.940 0 50 FFAA C[C@@H](CC1CN(C(=O)C2CSC2)C1)NC(=O)c1ccccc1Cl 1875331828 DNHPDXYFSZYCNX-NSHDSACASA-N 352.887 2.670 0 50 FFAA COC(=O)c1nccc(N2CCC[C@H]([C@H](C)NC(=O)CC3CCCC3)C2)n1 1875303392 SMBMKQUFBFVAKQ-HOCLYGCPSA-N 374.485 2.565 0 50 FFAA O=C(c1ccoc1Cl)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 891259890 URPORRYCVCJOHM-BXKDBHETSA-N 371.764 2.515 0 50 FFAA CC(C)C1(C)CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 275188956 AFDCMHJLNSQZBD-FQEVSTJZSA-N 357.454 2.640 0 50 FFAA CNC(=O)[C@@H](NC(=O)CN[C@@H](C)c1cc(C)c(F)c(C)c1)c1ccccc1 170591742 IJOFIGOLZXVFAO-YWZLYKJASA-N 371.456 2.697 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 186644466 QJJYWWFJMRLPBH-CQSZACIVSA-N 358.438 2.934 0 50 FFAA CC(=O)NCc1ccc(C(=O)Nc2ccc3nnc(C(C)C)n3c2)s1 189222507 STYZFUSSBYYJOH-UHFFFAOYSA-N 357.439 2.803 0 50 FFAA CCO[C@@H]1C[C@](O)(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)C1(C)C 189429535 DKGLZHLISJFWQA-NQYLQCIDSA-N 362.470 2.860 0 50 FFAA CC(C)(C)n1cc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)nn1 190072271 WWNPEGBCLQEUTF-UHFFFAOYSA-N 370.379 2.726 0 50 FFAA O=C1CCCC[C@H](C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)N1 193967681 IHTZKMVJEJATPP-MRXNPFEDSA-N 357.385 2.688 0 50 FFAA CN(C)c1ccnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1 765653437 XHKSRPVKTDSMBD-AWEZNQCLSA-N 350.369 2.722 0 50 FFAA CNc1nc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)cs1 1506420375 ASVKWAJIYFJMRV-OAHLLOKOSA-N 361.467 2.885 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529182622 WMBGPPXRIFBWQC-SJLPKXTDSA-N 359.857 2.576 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529177465 ADLTZQXURYVPLQ-DENIHFKCSA-N 362.477 2.920 0 50 FFAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NCCC2CCCCC2)OCC(=O)N1C 1529189770 YDRIATMUCGCMDV-UXHICEINSA-N 358.482 2.980 0 50 FFAA O=C(c1ccccc1)N1C[C@H]2COC[C@@H](C1)CN2C1Cc2ccccc2C1 1772702222 QPDLKBXWFGISLL-JTSKRJEESA-N 362.473 2.627 0 50 FFAA COc1c(F)ccc(C(=O)N2CCCN(c3nccs3)CC2)c1F 1772812007 FELREKBHFKFEJD-UHFFFAOYSA-N 353.394 2.782 0 50 FFAA O=C(c1ccccc1-c1ccccc1F)N1C[C@@H]2COCC[C@]2(CO)C1 1772701162 IOQJSWITEYQQMQ-QVKFZJNVSA-N 355.409 2.964 0 50 FFAA Cc1csc([C@@H](C)N(C)C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)n1 11663715 VNLZAYNSNZLSBO-CYBMUJFWSA-N 358.471 2.869 0 50 FFAA O=C(NCc1ccc(Cl)s1)[C@H]1CCC(=O)N(Cc2ccccn2)C1 11668171 ULADNDINJNQYFU-LBPRGKRZSA-N 363.870 2.852 0 50 FFAA CSc1ccccc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 13544963 YINCUMWULRUESF-UHFFFAOYSA-N 353.494 2.865 0 50 FFAA O=C(C[C@H]1CCc2ccccc21)NCc1cccnc1N1CCOCC1 14978522 CGPCNRJGHYXCFS-QGZVFWFLSA-N 351.450 2.655 0 50 FFAA Cc1ccc(C(=O)NCCc2nnc(SCc3ccccn3)n2C)s1 14991702 LBNMICHHIMNAGD-UHFFFAOYSA-N 373.507 2.845 0 50 FFAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)c1 19168973 QKUSLTJRZAQGFN-ZCNNSNEGSA-N 361.445 2.839 0 50 FFAA Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccncc5)no4)c3CO2)cc1 169773159 KOWOVLXXMHIXNZ-HNNXBMFYSA-N 364.340 2.801 0 50 FFAA F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169811512 JBYRKMGOSFMHRL-UHFFFAOYSA-M 369.027 2.623 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857711801 MUJXACDTEZLJCG-FQEVSTJZSA-N 368.437 2.730 0 50 FFAA CC(=O)Nc1ccc2nc(-c3nccn3C[C@H]3CC(=O)N(C)C3)ccc2c1 1857731326 PPRAYUQOHNXJDT-AWEZNQCLSA-N 363.421 2.535 0 50 FFAA COc1ccc(CN2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1Cl 1857735868 VCTNYMJYSVEGHJ-WDYCEAGBSA-N 364.873 2.906 0 50 FFAA Cc1cc(NC(=O)Cn2nc(C)nc2C)n(Cc2cccc(Cl)c2)n1 1875249880 HQHZMIKEJXYMIW-UHFFFAOYSA-N 358.833 2.740 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 331796064 ILAWNBBWUARDIU-UHFFFAOYSA-N 373.472 2.705 0 50 FFAA C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1ncc(Br)cn1 332521049 ZFQUDALEWKPRRT-CMPLNLGQSA-N 362.227 2.668 0 50 FFAA Clc1cccc([C@H]2CN(c3nccc(N[C@@H]4CCCOC4)n3)CCO2)c1 333211639 BQWUBAMKGOORCP-IAGOWNOFSA-N 374.872 3.299 0 50 FFAA O=C(O)C1CCN(C(=O)CCCOc2ccccc2Br)CC1 238101148 FLIBQGVREXBOFI-UHFFFAOYSA-N 370.243 2.931 0 50 FFAA O=S(=O)(c1ccc(F)cc1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 377341113 BNAXPOAHALYOSR-GOSISDBHSA-N 367.417 2.581 0 50 FFAA O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](CN2CCOC2=O)C1 861849646 LHHAFZHDMJAWDE-NSHDSACASA-N 357.237 2.837 0 50 FFAA Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1N 717889 VATGKISWSSGLHI-UHFFFAOYSA-N 355.423 2.823 0 50 FFAA COc1cc([C@@H]2CC(=O)Oc3c(O)cc4c(C)cc(=O)oc4c32)ccc1O 2049251998 LSQCIFMQJVVYHH-LBPRGKRZSA-N 368.341 2.962 0 50 FFAA CN(C)CCN(Cc1ccccc1F)C(=O)c1nccc2ncccc12 2325771630 BKQXMCRESZMUDB-UHFFFAOYSA-N 352.413 2.973 0 50 FFAA CN(Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1[C@H]2CNC[C@H]21 2325790328 FVKUVGSHABEWEZ-GDNZZTSVSA-N 361.230 2.948 0 50 FFAA N=c1[nH]c(=N)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 2325865772 PUQPMIAASFSMJQ-MWLCHTKSSA-N 353.348 2.762 0 50 FFAA COc1ccccc1[C@]1(C)C[C@H]1NC(=O)NCC[C@@H](N)Cc1ccccc1 2325866515 NVFRPIHTHGUDFD-ZNLUXHQJSA-N 367.493 2.985 0 50 FFAA CCc1sccc1C(=O)NCC1=CCN(C(=O)[C@@H](C)n2ccnc2)CC1 2325879963 NRIBMZHXFVKFOI-CQSZACIVSA-N 372.494 2.657 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)C1 2325888564 FGYGDGMMIQUQGY-XJKSGUPXSA-N 360.429 2.969 0 50 FFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 786492 VQRCQNDQAWEMMF-HNNXBMFYSA-N 362.223 2.963 0 50 FFAA Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C(N)=O 1160354 NCGAWGHACKCFTI-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc4nccnc34)C1)CC2 2356143616 POWHAXYAOAFIQE-OAQYLSRUSA-N 359.433 2.848 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)CCc2ccc(O)c(OC)c2)C1=O 2356152770 ZZTUTWWLLAFBMT-NRFANRHFSA-N 374.481 2.727 0 50 FFAA COCCCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1 4808753 PYQKQIDXMZDFHU-XDJHFCHBSA-N 368.433 2.619 0 50 FFAA O=c1cc(CCc2ccccc2)nc(-c2cccc(CN3CCNCC3)c2)[nH]1 23250545 NZUQSRVFFGJBAG-UHFFFAOYSA-N 374.488 2.627 0 50 FFAA CCOc1ccc(CN2CCN(C3CCSCC3)C[C@H]2CCO)cc1 104480292 VEVXVDRRMKSWQQ-LJQANCHMSA-N 364.555 2.850 0 50 FFAA O=C(CCc1nc(-c2cccs2)no1)N1CC[C@H](Oc2cccnc2)C1 135767928 ZNKUFMCFBKQOQV-AWEZNQCLSA-N 370.434 2.806 0 50 FFAA CCOC(=O)c1cnc(NC(=O)NCc2cc(C3CC3)ccc2F)n1C 417129299 VTCIXCIFKBFMQN-UHFFFAOYSA-N 360.389 2.935 0 50 FFAA NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1 20256062 OCFDQVYULNBYEH-IBGZPJMESA-N 357.498 2.933 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)nc(N)n1 65397519 GZMVHVSVZCQUIU-FQEVSTJZSA-N 350.422 2.838 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)no1 65456419 JJODFKAAKHPIQX-DZGCQCFKSA-N 358.394 2.517 0 50 FFAA CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(CC)n[nH]2)c1C 121393208 MMFHWMPKJFEZEH-UHFFFAOYSA-N 350.444 2.685 0 50 FFAA CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc2c(c1)CCCC2 427444363 ZQXHWRJCSIMWQW-NRFANRHFSA-N 363.461 2.902 0 50 FFAA C[C@@H](C(=O)N1CCO[C@H](c2ccnc(N3CCCC3)n2)C1)c1cccs1 328641842 YCEOIOZLYULZLZ-ZBFHGGJFSA-N 372.494 2.842 0 50 FFAA COc1cc(C)c(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1OC 152206357 CTHAYWCSUQYJTJ-HNNXBMFYSA-N 370.453 2.543 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)nc(C)n1 328655803 YSGIWEALOXVKBJ-SFHVURJKSA-N 353.470 2.615 0 50 FFAA COc1cc(CN[C@@H]2CCO[C@@H](c3cncn3C)C2)c2c(c1)C[C@H](C)O2 328641658 QRLSNVOGNPRCMA-URKNILKWSA-N 357.454 2.762 0 50 FFAA CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1ccc(OC)cc1OC 6385778 COAKYVPCUHWGRU-HNNXBMFYSA-N 350.440 2.904 0 50 FFAA CCN1C(=O)/C(=C/c2ccc(COc3ccc(OC)cc3)o2)NC1=S 6950936 RTVUOUAXWZGNRM-YBEGLDIGSA-N 358.419 2.945 0 50 FFAA Cc1nc(CCNc2nc(C(C)(C)C)nc3c2cnn3C)nc2c1CCC2 72432482 WQEOAMVMYUYYIS-UHFFFAOYSA-N 365.485 2.903 0 50 FFAA O=C([C@@H](O)c1ccccc1Cl)N1CCCN(Cc2cccnc2)CC1 72470384 ZDWGVJGZUCDQLU-SFHVURJKSA-N 359.857 2.503 0 50 FFAA CCOc1ccc(-c2nc(CC(=O)N3CC[C@H](C(=O)O)C3)cs2)cc1 236869826 HUILBNKVXUANDI-ZDUSSCGKSA-N 360.435 2.684 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Cc1noc2ccccc12 125921079 YHTJUUKIJHZUBT-UHFFFAOYSA-N 352.316 2.781 0 50 FFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)on1 33270414 PWHOXMACZGGUQK-MRXNPFEDSA-N 363.439 2.721 0 50 FFAA COc1ccc(-n2ccc(CNC(=O)c3ccc(C(=O)O)cc3)n2)cc1 237518247 AVXJKJANAPCDSD-UHFFFAOYSA-N 351.362 2.509 0 50 FFAA C[C@@]1(CN)CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 261782322 GEPFUYCRPBNQID-IBGZPJMESA-N 367.478 2.807 0 50 FFAA Cn1ccnc1CC[C@H]1CCCCN1Cc1cnc(N2CCCC2)nc1 77408107 WCQMQMHWJRVGHB-GOSISDBHSA-N 354.502 2.798 0 50 FFAA Cc1ccc(F)c(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)c1 376132648 YUMQUHBMIJSLKG-DLBZAZTESA-N 356.445 2.756 0 50 FFAA Cc1nnc2n1C[C@@H](NC1CCN(Cc3ccccc3Cl)CC1)CC2 378469180 GSHGMTMTURMNOV-KRWDZBQOSA-N 359.905 2.809 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]2C[C@@H](O)C2)c1 219213451 CQTIEVGSOGUYAB-IDHHARJASA-N 351.406 2.814 0 50 FFAA CCc1ccc(CN2C[C@H]3CN(Cc4ccsc4)C[C@@]3(C(=O)O)C2)nc1 216071760 GYANNZIOGBEONV-YLJYHZDGSA-N 371.506 2.724 0 50 FFAA CC(C)c1nnc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)s1 44917674 MXKRZHZFFWUDQE-UHFFFAOYSA-N 373.413 2.663 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)NC[C@@H]2CCN(CC(C)C)C2)c1C 176747641 PDMGAIZPXBYLRQ-KRWDZBQOSA-N 362.518 2.826 0 50 FFAA COc1ccc(NC(=O)NC[C@H](c2ccccc2C)N(C)C)cc1C(N)=O 426746351 VDYMBLMLNCOPIR-QGZVFWFLSA-N 370.453 2.527 0 50 FFAA Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220011395 LJWBKFZIQAUQBD-IRZJEQJZSA-N 367.445 2.937 0 50 FFAA COc1ccccc1N1CCN(C(=O)C(C)(C)c2ccccc2)CC1=O 82133516 ADHBXRVGZGCPHY-UHFFFAOYSA-N 352.434 2.848 0 50 FFAA CC(C)C(=O)Nc1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)ccn1 293559113 PPULYOXDEGBOMQ-SFHVURJKSA-N 367.449 2.920 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CN1CCOc2ccccc2C1 220542151 BSIAQYUTPHFOCZ-UHFFFAOYSA-N 368.412 2.555 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)NCc1cc2n(n1)CCCNC2 82156946 BWTDTFJYEROZKO-UHFFFAOYSA-N 361.449 2.677 0 50 FFAA C[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)n1ccnc1 426551916 BSINENUAJRGVOJ-ZDUSSCGKSA-N 367.371 2.973 0 50 FFAA Cn1ncc2c(O)c(C(=O)N3CCCCC[C@@H]3c3ccncc3)cnc21 179430656 IOCKRETZVGVRKE-MRXNPFEDSA-N 351.410 2.826 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(Cc3ccccc3-n3cccn3)C2)n1 426658280 HIPONHCZMOWCPE-INIZCTEOSA-N 365.437 2.533 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(O)c1C)CC2 91444570 MTTAFKFYNRJXLP-UHFFFAOYSA-N 374.481 2.582 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)CCCOCc1ccccc1)CC2 91536764 KNASEMDOXDLOSE-UHFFFAOYSA-N 358.482 2.844 0 50 FFAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(N(C)C)c1)C2 91934906 XBEJLBKKWMLFGM-QFBILLFUSA-N 367.497 2.521 0 50 FFAA O=C1CCc2cc(F)cc(NC(=O)NCCCn3nccc3C3CC3)c2N1 96164711 BZYNCHCQYJDCBC-UHFFFAOYSA-N 371.416 2.996 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)c2cnc(N(C)C)nc2C)CC1 92078501 AKLGXJUVVDKHFO-UHFFFAOYSA-N 370.501 2.867 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)cc1 95366804 IPCDBDORDKYXOV-KRWDZBQOSA-N 366.483 2.685 0 50 FFAA CC[C@H](NC(=O)N1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1F 267628978 PZQTUYQMGONQBV-IRXDYDNUSA-N 364.396 2.933 0 50 FFAA O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1c[nH]nc1C1CCCCC1 92077600 DMLOHIZOBDMWSR-UHFFFAOYSA-N 365.441 2.610 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCCNc2ccc(C)cn2)cn1 91603278 CPBMBGRLODLPQS-UHFFFAOYSA-N 365.437 2.816 0 50 FFAA O=C(NCCCSCc1ccccc1)c1cccc(-n2cnnc2)n1 97447061 IXVFRIIJXDSKMD-UHFFFAOYSA-N 353.451 2.716 0 50 FFAA Cc1nn(C)cc1CN1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 91915220 CKQYUJSNXIMMRI-NRFANRHFSA-N 367.497 2.528 0 50 FFAA CSCCc1nc([C@H](C)n2ccnc2)n(-c2ccc3c(c2)OCO3)n1 95516449 TXWSTGGNGFZTOA-LBPRGKRZSA-N 357.439 2.707 0 50 FFAA O=S1(=O)CC[C@H](c2nc(Cc3cccs3)nn2Cc2ccccc2)C1 96139012 CMMZXENXWJJTIL-HNNXBMFYSA-N 373.503 2.881 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3=O)cc1C(=O)O 91595615 YRVICDVGXMXBQP-DLBZAZTESA-N 372.465 2.782 0 50 FFAA NC(=O)Cn1ccnc1[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 95504390 HZWVJFAVXNQOBT-CQSZACIVSA-N 366.387 2.767 0 50 FFAA O=C(NCCc1ccccc1F)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91973952 XNPHHIWJIBXEAF-OAQYLSRUSA-N 373.472 2.945 0 50 FFAA CN(Cc1ccc(C(F)(F)F)cc1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244899638 ZNEWKEQHPCOJEE-BJHJDKERSA-N 351.376 2.919 0 50 FFAA COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(C)=O)c(OC)c1OC 247940527 NEXDYNIRBKKKOQ-VPWXQRGCSA-N 363.454 2.927 0 50 FFAA CSc1cccc(CN2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)c1 244716325 LNAWJQGJFCZWAB-RTBURBONSA-N 356.491 2.774 0 50 FFAA CC1(Cn2cc(C(=O)Nc3ccccc3N3CCCCCC3)nn2)COC1 183921805 HNQXPOIRJIOCGQ-UHFFFAOYSA-N 369.469 2.947 0 50 FFAA Cc1ccc(C)n1CCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 253396372 BAWBEUJGZWQEPB-MSOLQXFVSA-N 353.466 2.693 0 50 FFAA biogenic Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@H](C(=O)O)C3)c12 299742220 IXYSBAIUICLZOS-ZDUSSCGKSA-N 351.362 2.745 0 50 FFAA Cc1ccc([C@](O)(CC(=O)Nc2n[nH]c(C3CCC3)n2)C(F)(F)F)o1 184572613 PWCLPXFELAUSSG-CQSZACIVSA-N 358.320 2.752 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 252488730 IXRFGHBTJXMVOS-UHFFFAOYSA-N 353.466 2.536 0 50 FFAA O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263617350 NIULNKLXFKJGSJ-QGZVFWFLSA-N 352.369 2.619 0 50 FFAA Cc1cccc2c1c(-c1cccc(C(=O)N[C@H]3CCN(C)C3=O)c1)nn2C 534636321 YLTFHLNUZVJDFU-INIZCTEOSA-N 362.433 2.509 0 50 FFAA CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c(F)c1 299768180 JYCBXGDJSUNUDV-UHFFFAOYSA-N 360.389 2.542 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)Nc1cc(C(F)(F)F)ccc1F 299776814 MAJWBOSSGNMOQT-NSHDSACASA-N 363.355 2.670 0 50 FFAA COc1c(C)cc(NC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1C 299794010 ITPXRGRBXILYPC-GOSISDBHSA-N 361.486 2.623 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@H](C)c1nc2c(s1)CCCC2 299779251 RFDIUXMCTLJZRT-GFCCVEGCSA-N 360.483 2.944 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N1CCCN(C2CCCC2)CC1 299796476 NMMROQILMJNYKI-UHFFFAOYSA-N 372.513 2.800 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)CN2CCOc3ccccc3C2)c1 824774867 IFAZKKSZXOHQTR-IBGZPJMESA-N 352.434 2.863 0 50 FFAA Cc1nc(C)c(-c2ccc(C(=O)N(C)CC3(CO)CCOCC3)cc2)[nH]1 584896840 KQBTUTAEEYVOLP-UHFFFAOYSA-N 357.454 2.555 0 50 FFAA COCC[C@H]1CCCCN1C(=O)c1cccc(-c2cnc3nncn3c2)c1 584902506 OOCJWKBDJYMLAY-GOSISDBHSA-N 365.437 2.823 0 50 FFAA COc1cccc(C(=O)N2CCC(C(=O)NCc3nc(C)cs3)CC2)c1 670443118 AVEVOEAKMJUIIE-UHFFFAOYSA-N 373.478 2.629 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccn(C)c3)CC[C@H]2C1 1875407572 CUTXJUNPDMSFJW-LMCLKVLCSA-N 357.498 2.818 0 50 FFAA CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1ccc(Cl)cc1 170594508 NXOKLMHJBSYERM-SNAWJCMRSA-N 360.863 2.699 0 50 FFAA CC[C@@H](OC1CCCC1)C(=O)NCC1(N2CCCCC2)CCN(C)CC1 172750461 BENABERKACZGQU-LJQANCHMSA-N 365.562 2.791 0 50 FFAA O=C(CN1C(=O)CCc2ccccc21)NCc1ccccc1Cn1cccn1 110187678 BLQJJJRGFDQMKR-UHFFFAOYSA-N 374.444 2.527 0 50 FFAA COc1ccc(S(=O)(=O)N[C@@H](C)Cn2nc(C)cc2C)cc1Cl 1506396305 CFGLQZNVSPVRSN-NSHDSACASA-N 357.863 2.529 0 50 FFAA OC1CCN(c2cc(NCCCn3ccc4ccccc43)ncn2)CC1 1529195938 RSDOIKNEOMQZCL-UHFFFAOYSA-N 351.454 2.895 0 50 FFAA Cc1cc(C)c(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)c(-n2cccn2)c1 1529197215 LMAGOALGXHTZHW-UTKZUKDTSA-N 366.465 2.821 0 50 FFAA CN1Cc2nnc(CCc3nc4ccccc4[nH]3)n2-c2ccccc2C1=O 1772811069 NYOWKNLOHVIJLE-UHFFFAOYSA-N 358.405 2.514 0 50 FFAA CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)c2cnccn2)C1 12072313 HPPLUGQVWWBXBU-NRFANRHFSA-N 367.449 2.895 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)cs1 12075991 MJNWQBMOILZLMA-CQSZACIVSA-N 362.495 2.791 0 50 FFAA Cc1ccc(CN(C)C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 12470274 IVRQPMQDQOZICP-FQEVSTJZSA-N 360.429 2.713 0 50 FFAA O=S(=O)(Cc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 16579671 RNHRNFDUUDLBFT-UHFFFAOYSA-N 352.406 2.617 0 50 FFAA COc1ccc(CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1OC 150749513 ARKSCWLPVAQCCV-CYBMUJFWSA-N 354.406 2.868 0 50 FFAA O=C(CCn1cccn1)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 247757008 DZASDLKQXCLKAX-RTWAWAEBSA-N 366.509 2.829 0 50 FFAA C[C@@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@H]1C(=O)O 263016211 DCPIPYGQTCXXSY-IAQYHMDHSA-N 359.451 2.594 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-c3cccc(F)c3)cc1)C2 1704325746 QLDFXJPUTYAKGQ-QRWLVFNGSA-N 354.425 2.895 0 50 FFAA Cc1ccc(N2C[C@H](C(=O)N(C)c3cnc4ccccc4n3)CC2=O)cc1 813285276 GVEUWBYAUCZPOD-OAHLLOKOSA-N 360.417 2.954 0 50 FFAA CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 839336211 VOBLGFMSQUIDEB-GFCCVEGCSA-N 368.865 2.992 0 50 FFAA COc1cccc(-c2n[nH]cc2C(=O)Nc2ccnn2Cc2cccnc2)c1 2100483976 WCPGJCKXBCHPPW-UHFFFAOYSA-N 374.404 2.977 0 50 FFAA Cc1cc(NC(=O)c2n[nH]c3c2COCC3)n(Cc2cccc(Cl)c2)n1 2100545633 XFZMFBKKCDTBMA-UHFFFAOYSA-N 371.828 2.941 0 50 FFAA CO[C@H]1C[C@@H](CN(C)c2nnc(-c3ccco3)cc2C(F)(F)F)N(C)C1 2325714238 HDQYYOYTCGIANK-RYUDHWBXSA-N 370.375 2.911 0 50 FFAA CN(C)Cc1ccsc1C(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 2325718101 GYCLVOAJEBKDNZ-UHFFFAOYSA-N 369.494 2.648 0 50 FFAA O=C1Nc2ccc(F)cc2[C@@H]1CC(=O)N1CC[C@@H](c2cccc(O)c2)C1 2325773629 DJRVZVHGGZLUDJ-DYVFJYSZSA-N 354.381 2.973 0 50 FFAA CC(C)(C)[C@H](C(=O)NCCCn1cnc2ccccc21)N1CCCC1=O 2325813152 QAIBSDUDORRZJQ-SFHVURJKSA-N 356.470 2.580 0 50 FFAA COCCn1c(NC(=O)c2c(N)c(F)cc(F)c2F)nc2ccccc21 2325829438 KAZAXJGFWYNISA-UHFFFAOYSA-N 364.327 2.935 0 50 FFAA C[C@H](C[C@@H](C)NC(=O)C1(C2CC2)CC1)NC(=O)Cc1cc(C2CC2)on1 2325868192 RUGOBBCWDBEVLU-CHWSQXEVSA-N 359.470 2.684 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1 2325888992 LDQQKOZZRDFMND-MRXNPFEDSA-N 352.390 2.997 0 50 FFAA O=C(NCC[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1cc(Cl)c[nH]1 923146012 FCGRFZZTDKQLPN-JTQLQIEISA-N 369.252 2.932 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccccc2)[C@@](O)(c2ccc(Cl)cc2)C1 854835 WHGMVXVYWKNPPH-SFHVURJKSA-N 358.781 2.560 0 50 FFAA COc1cccc(C(=O)N2N=C(c3ccncc3)C[C@]2(O)C(F)(F)F)c1 871847 JVWPYTRPZONFFL-INIZCTEOSA-N 365.311 2.591 0 50 FFAA COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1 1174337 JEVKFXJIISILAD-GFCCVEGCSA-N 366.414 2.628 0 50 FFAA O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(Cl)c(Cl)c1 1837843 SJIZENNDPQEZSN-UHFFFAOYSA-N 356.161 2.742 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)Cc2ccc(Cl)cc2)C1=O 2356138251 JYVZCWZKJHYLHR-LJQANCHMSA-N 364.873 2.513 0 50 FFAA Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NC[C@H]1CCCO1 2497581 RTSDQUCWNJCTPL-GFCCVEGCSA-N 368.355 2.990 0 50 FFAA COc1cccc(NC(=O)C(=O)NCCOc2cccc3ccccc23)c1 2995589 BNIYPVMJZDFRAU-UHFFFAOYSA-N 364.401 2.982 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1cccnc1 6742182 NUOQHRWILLIODJ-UHFFFAOYSA-N 360.830 2.656 0 50 FFAA O=C1CCCCN1CCC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 55052944 MOLFBOZBRBVKHB-MRXNPFEDSA-N 350.484 2.658 0 50 FFAA CCN1CCN(CC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)CC1 24950674 DXROJWUJNFNTRQ-HXUWFJFHSA-N 357.523 2.900 0 50 FFAA c1cncc(-n2cccc2CN(CCN2CCOCC2)Cc2ccco2)c1 55281082 RMBAPPBPONEIMI-UHFFFAOYSA-N 366.465 2.800 0 50 FFAA CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 10302615 ASNOOFCIUXCOCQ-MRXNPFEDSA-N 352.500 2.812 0 50 FFAA CC(=O)Oc1c(C)cc(CNCCc2cn3nc(C)sc3n2)cc1C 65497020 KHQPNNXZEAFEEN-UHFFFAOYSA-N 358.467 2.974 0 50 FFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(c2nncn2C)CC1 24693551 PJYFZALZOVKKAD-UHFFFAOYSA-N 365.437 2.727 0 50 FFAA CCc1cc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)ncn1 65372984 IWZBSNFOTUGCIM-UHFFFAOYSA-N 362.481 2.606 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1c(C)cc(C)nc1OC)C2 66779673 COAMTKUTOXWIMF-HNNXBMFYSA-N 356.422 2.583 0 50 FFAA O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccncc2)cs1 61720594 HDEAAWHPNLZDTR-UHFFFAOYSA-N 363.402 2.554 0 50 FFAA COc1cc2cc(CN3CCC[C@H]3c3nonc3C)c(=O)[nH]c2cc1OC 67983196 PGWIJYASUWAATC-HNNXBMFYSA-N 370.409 2.574 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)N[C@@H]3CCCC3(C)C)CC2)n1 121271445 DMQAPGGMGKJUNC-OAHLLOKOSA-N 361.490 2.676 0 50 FFAA C[C@H]1C[C@@H](O)CCN1CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 252551083 TYTXIXRLIIGMPI-YOEHRIQHSA-N 354.454 2.533 0 50 FFAA Cc1ncsc1CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 65394128 XGBXKQFVQGHREO-UHFFFAOYSA-N 356.451 2.874 0 50 FFAA Cc1n[nH]c(C)c1CCc1nnc(SCC(=O)O)n1-c1ccccc1 67783783 ZWUPDNQACLJIOZ-UHFFFAOYSA-N 357.439 2.569 0 50 FFAA CNC(=O)CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 67880993 ZEMMFXOKWXINSY-UHFFFAOYSA-N 369.446 2.609 0 50 FFAA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@@H](O)c1ccco1 123617844 UMFSPHVLVANLHK-JOYOIKCWSA-N 371.220 2.555 0 50 FFAA O=C(OC[C@H]1CO[C@H](c2coc3ccccc3c2=O)O1)c1ccccc1O 4783888 DZTCQOVWNUHUJE-YUNKPMOVSA-N 368.341 2.770 0 50 FFAA CC[C@@H](c1cccnc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 216013256 ONSBHTDBTWFSNL-SFHVURJKSA-N 373.478 2.699 0 50 FFAA Cn1ccnc1CNC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 485419646 ZKVQFKXESVHYGF-UHFFFAOYSA-N 365.393 2.633 0 50 FFAA C[C@H](NC(=O)NCc1cccc(-c2cccnc2)c1)[C@H](C)N1CCOCC1 363821656 NRRUQMMSXOUHOV-IRXDYDNUSA-N 368.481 2.657 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C1CCOCC1 238105714 LWCHWTCZLNNJBI-GJZGRUSLSA-N 371.355 2.901 0 50 FFAA Cc1ccccc1-c1noc(-c2ccc(N3CCN(C)C(=O)[C@@H]3C)nc2)n1 39518585 SPKHXPAFQDHTNV-AWEZNQCLSA-N 363.421 2.774 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71754076 CJEDCPYZVXNUNC-CYBMUJFWSA-N 371.391 2.888 0 50 FFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCOc2ccccc21 376703713 MBNXLJCAYMSUFU-IBGZPJMESA-N 350.418 2.948 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2c(Cl)cnn2C)n1 216504061 VGKAOKNYORDCGI-QMMMGPOBSA-N 363.771 2.663 0 50 FFAA CC(C)c1nc(CNC(=O)c2cc(COc3cccc(F)c3)[nH]n2)no1 71756839 RAWVVSSISKXNMT-UHFFFAOYSA-N 359.361 2.564 0 50 FFAA CC(C)CCc1cc(NC(=O)CNC(=O)OCc2ccccc2)n(C)n1 242317073 YXCMQSOLTUQOBQ-UHFFFAOYSA-N 358.442 2.874 0 50 FFAA Cc1cc(CNc2ccc(C(=O)NCC[C@@H]3CCCCN3C)cn2)no1 15066178 XQPRQKXWBZPGFC-KRWDZBQOSA-N 357.458 2.594 0 50 FFAA Cn1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cn1 47530130 HGCBZFSRVPJOIY-UHFFFAOYSA-N 374.400 2.511 0 50 FFAA Cc1c(CNC(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)cnn1C 292280665 GVYSALTZOYFVKB-IBGZPJMESA-N 369.513 2.830 0 50 FFAA CC(=O)c1cnc(N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nc1C 95371666 BBTZOBXROKFMDP-HNNXBMFYSA-N 364.409 2.817 0 50 FFAA O=C(COCc1ccccc1)N1CCC2(CCC(=O)N(C3CC3)C2)CC1 91859394 MYVBKLUOQKCVDW-UHFFFAOYSA-N 356.466 2.597 0 50 FFAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@@H]1CCn1ccnc1 91255624 ACFLPYDJDBLCKK-GOSISDBHSA-N 362.437 2.820 0 50 FFAA COCCCN1CC[C@@H](CNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)C1 96149033 QHIGGBHQVOYXHQ-HNNXBMFYSA-N 373.457 2.525 0 50 FFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCCc1ccc(OC)cc1)C2 91562836 OUVJIYKPPUQEGU-RTBURBONSA-N 360.498 2.587 0 50 FFAA CN1CCC[C@]2(CCN(C(=O)Cc3c(F)ccc(Cl)c3F)C2)C1=O 92107240 MEIYTIHDGSWHEV-QGZVFWFLSA-N 356.800 2.632 0 50 FFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 239030648 CDSWKSKNKCKUKH-LBTBCDHLSA-N 374.868 2.507 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H](C)n3ccnc3C(C)C)CC2)cc(C)n1 95388734 YUPJUXUSPGDHMJ-KRWDZBQOSA-N 355.486 2.928 0 50 FFAA CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1NC(=O)N(C)C 91306181 VNSKENCHUVLWLJ-GOEBONIOSA-N 369.868 2.776 0 50 FFAA O=C1[C@H]2CC[C@H](CN(c3cnc4ccccc4n3)C2)N1Cc1cscn1 91706449 OJUOAOQYELXTSF-DZGCQCFKSA-N 365.462 2.714 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(Cc1cnn(C)c1)CC(C)C)C2 91468667 BARMLGXODMSVEL-KRWDZBQOSA-N 357.454 2.665 0 50 FFAA O=C(NC1CCN(C2CCSCC2)CC1)c1cc(=O)[nH]c2ccccc12 91650009 RUFGHJIMAFBQBE-UHFFFAOYSA-N 371.506 2.618 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1n[nH]c2c1CCCCC2 244594202 DIDFEKDGAZGOHT-FQEVSTJZSA-N 352.482 2.742 0 50 FFAA Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCOC[C@@H]1C(=O)O 299750233 MZJXFURCKMAKHO-MRVPVSSYSA-N 372.855 2.759 0 50 FFAA O=C(CCc1nc2ccccc2nc1O)NCCCn1nccc1C1CC1 299768398 JFOCOOJBUXAOKS-UHFFFAOYSA-N 365.437 2.548 0 50 FFAA CCC(=O)N1CCC(NC(=O)N2CCOc3ccc(Cl)cc3C2)CC1 584903094 FPCHTQBXOXCANR-UHFFFAOYSA-N 365.861 2.645 0 50 FFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)NCc1cncn1C1CC1 584884731 LJZKCCYBMLGXGM-ZDUSSCGKSA-N 356.426 2.892 0 50 FFAA O=C(Cc1nc2ccccc2o1)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 670462295 XKPHJCAZCCZSCL-MRXNPFEDSA-N 365.433 2.857 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCc3cc(O)ccc3C2)[C@H]1c1ccccc1 1875274513 FKTZJOKUKUAOFG-PZJWPPBQSA-N 364.445 2.887 0 50 FFAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccccc3)nc12 1875350299 IBIZKGJJYICUHO-UHFFFAOYSA-N 357.373 2.748 0 50 FFAA Cc1ncc(C(=O)N2CCCC[C@@H](NC(=O)[C@](C)(F)C(C)(C)F)C2)o1 1875359859 RKLOLXLAVVTQBQ-PXAZEXFGSA-N 357.401 2.570 0 50 FFAA Cc1c(Cl)[nH]c(-c2ncccn2)nc1=NC[C@@H](C)CN1CCCCC1 1875327705 HHUHHXGFZFQCFO-CYBMUJFWSA-N 360.893 2.851 0 50 FFAA CCCC1(C(=O)N[C@@H]2CN(C(=O)Cc3cnco3)[C@@H]3CCCC[C@@H]23)CC1 1875407674 FTFXLGYZMZOINR-GVDBMIGSSA-N 359.470 2.683 0 50 FFAA CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](CCSC)NC(C)=O)c1 952976003 DNGINBGGUASFTF-AWEZNQCLSA-N 351.472 2.540 0 50 FFAA CCCN1C(=O)CC[C@@H]2CN(Cc3c(CC)nn(C)c3Cl)CC[C@@H]21 1565513606 RHOTVDUDWXXZGN-CJNGLKHVSA-N 352.910 2.859 0 50 FFAA COc1ncnc(OC)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 171832565 HBWLCLKBXMSOGA-UHFFFAOYSA-N 350.378 2.732 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)C1 172176564 FLMYTWNSGITHDT-CQSZACIVSA-N 363.421 2.822 0 50 FFAA O=C(Nc1ccc2ncsc2c1)N1CCC[C@H](CN2CCOCC2)C1 172560956 BKSPQNGCXOAACN-CQSZACIVSA-N 360.483 2.872 0 50 FFAA C[C@@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 408504819 ZEWLCTNGWLRXNT-GHMZBOCLSA-N 373.858 2.742 0 50 FFAA C[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCCCC3)C(=O)N1c1ccccc1 190509738 XKBCIPIYDCWANR-GUYCJALGSA-N 352.438 2.602 0 50 FFAA CCOc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1OCc1cccnc1 191353566 VBJQIKASDGMEEA-QGZVFWFLSA-N 355.438 2.623 0 50 FFAA O[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CC[C@@H]1N1CCCCCC1 1614345671 WMLZPPIYCZJWBU-IRXDYDNUSA-N 366.889 2.880 0 50 FFAA CC(C)c1nccc(C(=O)N2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)n1 1772707981 ACMDGUCOPDVBHS-AVRDEDQJSA-N 364.493 2.894 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)c1C 11815096 XRXWXINJNSSMRD-UHFFFAOYSA-N 359.470 2.745 0 50 FFAA CC(C)CCN1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 11820924 WMWRPSRPPIWDOC-LJQANCHMSA-N 372.557 2.920 0 50 FFAA COCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCCCC1 12301312 VPGZDSSKDMPFAU-UHFFFAOYSA-N 371.547 2.724 0 50 FFAA O=C(CCc1cccnc1)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12307635 WJNJIKUFPTXSHL-IBGZPJMESA-N 365.481 2.569 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19372234 CJZZSVCCBZWMCS-UHFFFAOYSA-N 350.871 2.847 0 50 FFAA Cc1ccc2[nH]c(C(=O)N3CC[C@@]45OC[C@@H](C(C)C)N4C(=O)C[C@@H]35)cc2c1 1857722491 JWFIIYSSIYUWLH-UEXGIBASSA-N 367.449 2.674 0 50 FFAA Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857722614 KAVHTXNOCVVCKK-YESZJQIVSA-N 374.872 2.624 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CN(C4CCCCCC4)C[C@]34CC[C@H]2O4)on1 1857735437 DUWJVJJLFNJHOS-XKGFGPFHSA-N 373.497 2.915 0 50 FFAA c1cc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CC2)cc(N2CCOCC2)c1 253595578 GHEOQNLMHBAYDX-IRLDBZIGSA-N 355.526 2.829 0 50 FFAA CNC(=O)[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 155374502 ABINFUPRCHPJSW-MRXNPFEDSA-N 362.351 2.739 0 50 FFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)Nc1cnc2ccccn2c1=O 2100534881 YHTUSCFGVFMMCT-UHFFFAOYSA-N 363.352 2.784 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CCC(C(N)=O)CC3)ncnc21 2100541028 UACUOHDRXPHITM-UHFFFAOYSA-N 358.490 2.527 0 50 FFAA O=C(Cc1ccn(-c2ccccc2)n1)N1CCCN[C@H](c2ccccc2)C1 2325783236 GWIAEIPMPSDZAM-NRFANRHFSA-N 360.461 2.978 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(c2ncnc4c2[S@](=N)(=O)CCC4)C3)cc1 2325789392 MUFBFNCNJJEDCL-GTQUEGJOSA-N 354.479 2.915 0 50 FFAA Cn1cc(C2CCN(C(=O)C3=NO[C@H](c4ccc(F)cc4)C3)CC2)cn1 2325811650 MNXXXCCKRSCAIM-SFHVURJKSA-N 356.401 2.783 0 50 FFAA CCC[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 2325868970 SNSNNXSDYFOVTJ-KBPBESRZSA-N 358.442 2.797 0 50 FFAA C[C@H](C(=O)N1CC[C@]2(CCCN2C(=O)c2cnco2)C1)c1ccccc1 2325871712 WFEVIPBGECLMQB-MGPUTAFESA-N 353.422 2.685 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nccc(C)n3)c2)C1 2325888669 OYTWXCUDFSDXMF-INIZCTEOSA-N 350.422 2.815 0 50 FFAA COc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c(OC)c1 638958 SYKDYXLOHJDDPZ-UHFFFAOYSA-N 373.796 2.706 0 50 FFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(OC(C)C)cc2)NC(=O)N1 1074526 FFLQNKYPYRSLTL-FUHWJXTLSA-N 374.437 2.824 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)cc1 1088685 UVICWWWIKAPGFN-UHFFFAOYSA-N 373.261 2.613 0 50 FFAA COc1cc(Br)cc2cc(C(=O)N3CCCC3)c(=O)oc12 1110579 QXVVXJDJDUZMEE-UHFFFAOYSA-N 352.184 2.800 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356149055 HTSSJMCEYAERML-FQEVSTJZSA-N 353.422 2.877 0 50 FFAA CCOc1ccc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc1Cl 2868432 JSFBGDFCYAZVGZ-UHFFFAOYSA-N 365.813 2.882 0 50 FFAA COc1ccc(-n2nc(C)nc2[C@H]2OCC(=O)N[C@@H]2c2ccccc2)cc1 2356160235 JMTWNAPJOPGFRM-MOPGFXCFSA-N 364.405 2.513 0 50 FFAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1sccc1NC(C)=O 55326772 NKWMYBBZUIBPAU-UHFFFAOYSA-N 350.444 2.950 0 50 FFAA COCCN(Cc1ccc(C)cc1)C(=O)C[C@@H]1NC(=O)c2ccccc21 55271686 KAMQYBBTDDMERP-IBGZPJMESA-N 352.434 2.845 0 50 FFAA COC(=O)c1cc(C(C)(C)NC(=O)c2ccc(-c3cnco3)cc2)no1 464669558 JNMWIYBFBOOPEJ-UHFFFAOYSA-N 355.350 2.781 0 50 FFAA CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 20111233 GPTFURBXHJWNHR-UHFFFAOYSA-N 353.374 2.557 0 50 FFAA endogenous,in-man CCOC(=O)c1cnn(-c2cccc(F)c2)c1CNCc1cn(C)nc1C 20452420 UFUOEQVAOHWGEC-UHFFFAOYSA-N 371.416 2.520 0 50 FFAA CCNC(=O)N1CCC(NCc2ccc(Sc3ncccn3)o2)CC1 55089372 XHAZUBMAKOMBMQ-UHFFFAOYSA-N 361.471 2.504 0 50 FFAA Cn1c(SCC(=O)c2ccc[nH]2)nnc1[C@H]1COc2ccccc2O1 22211172 NUTZSWNXAAYOPM-OAHLLOKOSA-N 356.407 2.631 0 50 FFAA CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCCc1ccccc1)C2 20915639 YLXMFMFOSWMVAJ-KRWDZBQOSA-N 354.498 2.685 0 50 FFAA Cc1cc(N)n(CC(=O)N(Cc2ccccc2)Cc2scnc2C)n1 1506427584 NWISURWDLPCXAX-UHFFFAOYSA-N 355.467 2.768 0 50 FFAA CCN1CCN([C@H]2CCN(C(=O)Nc3ccc(C4CC4)c(F)c3)C2)CC1 252484880 GJWPGXAWXMOCIC-KRWDZBQOSA-N 360.477 2.947 0 50 FFAA O=C(NCc1ccc2c(c1)OCO2)c1cn2c3c(cccc3c1=O)CCC2 22235441 KZVBLJIZCZJTOW-UHFFFAOYSA-N 362.385 2.606 0 50 FFAA Cc1nnc([C@H](C)Nc2nccc(N[C@H]3CCCO[C@@H]3C(C)C)n2)s1 328624808 CPFCQIIWGWJNRV-CORIIIEPSA-N 362.503 3.425 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(C)cc2C)C1 65364423 MTYIXSVBRYMVPR-JKSUJKDBSA-N 352.500 2.542 0 50 FFAA COCc1cc(N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n2ncnc2n1 253427256 ONBZWNAHBCAKBM-IAGOWNOFSA-N 367.453 2.953 0 50 FFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 4179532 JLTLXEFNRIBPCX-BDJRERGKSA-N 354.450 2.511 0 50 FFAA CC1=NN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)[C@](O)(C(F)(F)F)C1 6394378 VCTPHYFMWLLDFM-MEDUHNTESA-N 356.344 2.802 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2cc(C)on2)c1 33270279 SNDLUAXCQCBSQL-CQSZACIVSA-N 352.412 2.526 0 50 FFAA O=C1C[C@]2(CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)C2)Oc2ccccc21 334027965 ITLTXIRBOOXPQV-WTFQOOOSSA-N 370.449 2.764 0 50 FFAA COCCC[C@H]1CCCN(c2nccc(-c3cc(C(=O)O)ccn3)n2)C1 77380032 JHIRBRASBRXLEL-CQSZACIVSA-N 356.426 2.880 0 50 FFAA Cc1cc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)c2ccc(F)cc2n1 219515506 QUTQQYJEDJRBQU-ZDUSSCGKSA-N 368.412 2.978 0 50 FFAA CNC(=O)c1nc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)no1 72168854 CWHSMPDLCJVTBO-GFCCVEGCSA-N 364.396 2.552 0 50 FFAA Cc1nn(C)c(C)c1CNc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 239619539 BFIFWIGAFWZVHF-UHFFFAOYSA-N 368.478 2.865 0 50 FFAA Cn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cccc21 219068154 RIFFOSPBJOGNKI-SJLPKXTDSA-N 371.462 2.739 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)C(C)C)C1 72437715 XPRAHMPATQEPKG-IAGOWNOFSA-N 352.500 2.562 0 50 FFAA Cc1ccc(N2CCN(C(=O)CN(C)Cc3cccnc3)[C@@H](C)C2)cc1 77472585 URVQHCWQQNNEJO-SFHVURJKSA-N 352.482 2.559 0 50 FFAA COC(=O)c1cc(-c2ccc(OC)cc2)nc2c(Br)cnn12 13645250 DEWPWQAOMYOMAM-UHFFFAOYSA-N 362.183 2.954 0 50 FFAA COc1ccc(N2CCN(C(=O)CCc3cccc(OC)c3F)CC2)nc1 456979249 AGNFBPFKEVFKIM-UHFFFAOYSA-N 373.428 2.519 0 50 FFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)ccc2nsnc12 218485454 FZHVCOYSCMZTAN-SNVBAGLBSA-N 360.391 2.806 0 50 FFAA OC[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCC2)nc1 132715914 VZNYVLVOZQTYQS-SFHVURJKSA-N 350.466 2.856 0 50 FFAA CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@H]1CC2(CCNCC2)CN1 72157907 AKIGRIAEAVZAEQ-AQDCRGGLSA-N 355.526 2.916 0 50 FFAA C[C@@H](CC(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1)N1CCOCC1 72428653 XXCNAKLQCYPASV-ZDUSSCGKSA-N 361.873 2.817 0 50 FFAA Cc1ncsc1CCC(=O)NCCc1csc(-c2cnccn2)n1 82106826 QDTJTQANOGCWQY-UHFFFAOYSA-N 359.480 2.657 0 50 FFAA O=C(c1ccc2nccnc2c1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48155947 FOSCAXPIRDPEAG-UHFFFAOYSA-N 362.437 2.651 0 50 FFAA CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)c2ccccc2C1 292891403 ZNYGMZDDCCSERA-UHFFFAOYSA-N 370.474 2.846 0 50 FFAA CN1CCCN(C)C2(CCN(C(=O)c3cccc(OC(F)F)c3)CC2)C1 221426968 AQDCJFCFGWMQKB-UHFFFAOYSA-N 367.440 2.530 0 50 FFAA COc1cc(F)c(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)c(F)c1 221366446 DVKWTRLFMAHWTG-VIFPVBQESA-N 360.320 2.909 0 50 FFAA CCN1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2OC)C(C)(C)C1 82137672 PFIQGTVIRCMPRT-GOSISDBHSA-N 359.514 2.997 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@H](c2ccccc2)n2cnnn2)cs1 220623521 RYFCJCCTZBHGKI-HNNXBMFYSA-N 356.455 2.501 0 50 FFAA CCO[C@@H]1COCC[C@H]1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 220567689 LMNHVMWIHPWMEK-IEBWSBKVSA-N 370.449 2.544 0 50 FFAA CCSc1ccc(S(=O)(=O)NC)cc1Nc1cc(Cl)ncn1 224876365 RNNMLILUVYDPLB-UHFFFAOYSA-N 358.876 2.894 0 50 FFAA CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cc(O)c(F)c(F)c3)cc2)C1 426534048 KVLHAXREJABUED-OAHLLOKOSA-N 360.360 2.688 0 50 FFAA COc1cc(OC)nc(-c2cccc(C(=O)NCCC[C@H]3CCOC3)c2)n1 426651926 AYCMVFHZDXMBGH-AWEZNQCLSA-N 371.437 2.707 0 50 FFAA Cc1ccc2[nH]c(CN3CCN(Cc4csc(C)n4)CC3)cc(=O)c2c1 91562993 BATHXADLUMKGSJ-UHFFFAOYSA-N 368.506 2.919 0 50 FFAA Cc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)n1 91794460 BRNIETGXXKAVMV-CYBMUJFWSA-N 370.438 2.619 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3C)C[C@H]2NC(C)=O)cc1 91690660 PMDRLKTWIAGLCU-LEWJYISDSA-N 366.461 2.677 0 50 FFAA O=C(c1ccc(-c2ncccn2)cc1)N1CCCN(Cc2ccccn2)CC1 426518430 XSVOAVREYBPEHT-UHFFFAOYSA-N 373.460 2.887 0 50 FFAA COCCCCCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 95376224 QRJRFFWUGUYAIG-KSEOMHKRSA-N 372.509 2.988 0 50 FFAA O=C(CCC(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1)N1CCCCCC1 91665732 TXJHGUABYRLPLA-HXUWFJFHSA-N 372.509 2.753 0 50 FFAA O=C1CCC2(CCNCC2)CN1CCc1csc(-c2cccnc2)n1 91950784 KPYOYCFFAYBDBK-UHFFFAOYSA-N 356.495 2.740 0 50 FFAA CCCCSc1nc(N)cc(N2CCC(CC(=O)N(C)C)CC2)n1 95529722 HWRIHCCCTUQEPE-UHFFFAOYSA-N 351.520 2.646 0 50 FFAA O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(Cc2ccco2)C1 95386712 DXPZOPMQLVNTSL-HNNXBMFYSA-N 352.438 2.727 0 50 FFAA CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 95352422 XNPULUBKSMBSAE-AWEZNQCLSA-N 362.424 2.743 0 50 FFAA Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239025414 BODRQXFVWRTZSH-DEGRCIOYSA-N 364.445 2.685 0 50 FFAA O=C(N[C@H]1CCc2ccccc2C1)c1ccc(CSc2nnc[nH]2)o1 244734346 NDVOUIUKLQMNNK-AWEZNQCLSA-N 354.435 2.977 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC[C@@]3(C2)CN(C)C(=O)O3)cc1Cl 244794807 QTWYYSBQNBXJHP-SFHVURJKSA-N 365.861 2.894 0 50 FFAA COc1ccc([C@@H](NC(=O)c2nccc3ccccc23)[C@H]2C[C@@H](O)C2)cn1 244787682 QBLVUPUGOOSAOD-JTDSTZFVSA-N 363.417 2.880 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)[C@H]1CC=CCC1)CC2 299742046 GMYDEYVOPCBYEE-XJKSGUPXSA-N 359.422 2.961 0 50 FFAA Cc1ccc2c(c1)CCCN2C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102441013 UTKBGVTWAPEKHZ-IRXDYDNUSA-N 354.450 2.840 0 50 FFAA C[C@H](C(=O)N(C)C)N(C)C(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1 299789187 SUULINMRINEPPZ-CQSZACIVSA-N 369.465 2.525 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)NCCc1nc(C(C)C)cs1 584901439 IUULVJMXVVOIPS-HNNXBMFYSA-N 366.531 2.851 0 50 FFAA CCCn1nc(COc2cccc(F)c2)nc1[C@H](C)N1CCN(C)CC1 823033146 UIQVXNRFMVWNMH-HNNXBMFYSA-N 361.465 2.715 0 50 FFAA COc1ccn2ncc(C(=O)NC[C@H](O)c3cccc(OC(C)C)c3)c2c1 1875254998 GHAGQTWIVJBLAS-IBGZPJMESA-N 369.421 2.594 0 50 FFAA O=C(NC[C@H](CO)C1CC1)c1cc(-c2ccccc2C(F)(F)F)[nH]n1 1875260502 DBHMIBHSOPTAEE-LLVKDONJSA-N 353.344 2.844 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(C4CCCC4)CC3)nn(C)c21 1875299981 FQOFSXPZAJYMKW-CABCVRRESA-N 360.502 2.533 0 50 FFAA O=C1N[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1c1cncc(Br)c1 1875291010 LFJLANWCCAIOJT-WTTBSCSTSA-N 350.216 2.705 0 50 FFAA O=C(NCCNC(=O)C1CCCC1)c1cc(Oc2ccccc2)ccn1 1875260972 VWOZWEZFCHGLAJ-UHFFFAOYSA-N 353.422 2.910 0 50 FFAA COc1cccc(CC(=O)N2CC[C@@H](Nc3ncc(Cl)cn3)[C@H]2C)c1 1875308182 SYCLWUZVRSTOKO-MLGOLLRUSA-N 360.845 2.783 0 50 FFAA Cc1cn(Cc2ccccc2)[nH]c1=NC(=O)c1cccc2c1CCC(=O)N2 1875337290 WBZYXPXLMAIEON-UHFFFAOYSA-N 360.417 2.799 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc1 1875373573 GKWQDJLBEVOHFL-QGZVFWFLSA-N 352.438 2.719 0 50 FFAA O=C(N=c1cc(-c2cccnc2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875342206 DGDOAGLIXAFZHP-UHFFFAOYSA-N 359.393 2.782 0 50 FFAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)C1(c2ccccc2Cl)CCC1 1875403434 WXPRFPSVSQCVLM-BMGDILEWSA-N 373.884 2.914 0 50 FFAA CC1(C)CNCC[C@@H](NC(=O)NCc2c(F)cccc2-n2cccn2)C1 891943237 IZCRZZNZLVNLGP-CQSZACIVSA-N 359.449 2.589 0 50 FFAA Cc1cccc(C)c1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnccn1)C2 1565516387 OFMBIWCZGHKLJC-ROUUACIJSA-N 350.466 2.830 0 50 FFAA CC(C)Cc1ccc(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cc1 1565514727 LBQXVIXZQSGHAZ-OALUTQOASA-N 373.522 2.707 0 50 FFAA C[S@](=O)C[C@@H](NC(=O)c1ccc2nc(S)oc2c1)c1ccccc1 170649106 KWDZMZFXSKQPSO-SHACYNPGSA-N 360.460 2.966 0 50 FFAA Cc1ccc(CNC(=O)c2ccccc2OCC2CC2)c(-n2cncn2)n1 170607814 KSQIOAQBUIEMSC-UHFFFAOYSA-N 363.421 2.690 0 50 FFAA COc1ccc(OC)c2c1CN(Cc1ccc(F)cc1C(=O)O)C[C@@H]2O 738047966 MZECQDHGJCHCHO-HNNXBMFYSA-N 361.369 2.590 0 50 FFAA Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1 225453466 COZNGQSOBKJVOR-WBVHZDCISA-N 374.510 2.720 0 50 FFAA C[C@H](NC(=O)N1CC(NC(=O)C2CC2)C1)c1ccc(Cl)cc1Cl 189949051 RMTANGODUDEJHB-VIFPVBQESA-N 356.253 2.974 0 50 FFAA CC1(C)CCCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 194376497 PMMWHRGJCVLGHZ-LBPRGKRZSA-N 370.437 2.633 0 50 FFAA C[C@@H](OC(=O)c1ccccc1OC(F)(F)F)C(=O)NCC(F)(F)F 775112775 CLXHLZNJGKQZQT-SSDOTTSWSA-N 359.222 2.809 0 50 FFAA Cn1cnc2cc(C(=O)N3CCOc4ccc(Cl)cc4C3)ccc2c1=O 1506409784 SXBPZZOWRGJEKA-UHFFFAOYSA-N 369.808 2.622 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2c(C)cnn2Cc2cccc(C)c2)CC1 1506425580 FDNOGUABDUDOKI-UHFFFAOYSA-N 354.454 2.745 0 50 FFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(C)Cc2ccon2)s1 1506426984 UMELKACODNIWAQ-UHFFFAOYSA-N 353.425 2.829 0 50 FFAA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc(Cl)cc4)CC3)C[C@H]2O)n[nH]1 1529168851 OFGBYLRHGOEWPQ-FOIQADDNSA-N 374.916 2.876 0 50 FFAA NC(=O)c1cnc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cn1 1772708124 BQUDMTUJGPBHDJ-UHFFFAOYSA-N 356.401 2.690 0 50 FFAA CC(C)n1cc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)cn1 11773683 FMZFGEDGWSLNSZ-SFHVURJKSA-N 360.502 2.899 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccc3nsnc3c2)C1)c1ccco1 11843124 HLDZIIYSCJIDAY-CQSZACIVSA-N 356.451 2.926 0 50 FFAA c1ccc(CCc2noc(CN3CCC(N4CCSCC4)CC3)n2)cc1 12613294 GBKUTJRDAPZRPC-UHFFFAOYSA-N 372.538 2.868 0 50 FFAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)cc1F 14951717 REKXTLNNQKXQQW-QGZVFWFLSA-N 370.424 2.798 0 50 FFAA COc1ccc(OC)c(N2C(=O)[C@@H]3C[C@H]2CN3C(=O)CCC2CCCC2)c1 15001116 HNBCXMAWSWLFAA-YJBOKZPZSA-N 372.465 2.990 0 50 FFAA CCN1CCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 19790695 RHWOLUBHHZKDCJ-KGMASTOKSA-N 350.547 2.608 0 50 FFAA Cc1ccccc1-c1ncc(-c2nccn2CCNS(C)(=O)=O)s1 1857684175 BQAOBUPVYVBNCZ-UHFFFAOYSA-N 362.480 2.531 0 50 FFAA Cc1ccccc1CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857733773 XYHXXFHTSZGJFZ-SFTDATJTSA-N 350.462 2.997 0 50 FFAA CN(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccccc4)o3)C[C@@H]21 212656612 CAWYOGLXRCOBGB-ZBFHGGJFSA-N 369.421 2.900 0 50 FFAA C[C@@H]1c2nncn2CCN1C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 408338729 IHKGXNAQZPASLP-HONMWMINSA-N 361.243 2.748 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 416521983 IHBYITKJTVPMTF-KEYYUXOJSA-N 373.902 2.996 0 50 FFAA C[C@@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)n1nnnc1C(C)(C)C 331750304 ARTZSPKJYLPAJT-GXFFZTMASA-N 363.849 2.825 0 50 FFAA Cc1nccnc1N1CCN(C(=O)NCC[C@@H](C)c2ccccc2)CC1 441099865 GKMJEVLECZSYIK-MRXNPFEDSA-N 353.470 2.810 0 50 FFAA COc1ccc(CCC(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1Br 237187726 ABBASJBPLRZJNW-TZMCWYRMSA-N 369.303 2.976 0 50 FFAA Cc1nnc2n1C[C@H](C(=O)NCCc1c[nH]c3ccc(Cl)cc13)CC2 750780692 UWDXLIQCCIPTTP-CYBMUJFWSA-N 357.845 2.643 0 50 FFAA COc1cc(CN(Cc2cccnc2)C(C)=O)ccc1O[C@@H]1CCOC1 12243959 WSPYREJAGVRYGK-GOSISDBHSA-N 356.422 2.807 0 50 FFAA Cc1ccccc1CCNC(=O)[C@@H](C)Nc1cnn(C[C@H]2CCCO2)c1 364003786 PBHVIBWDQLKFEV-VQIMIIECSA-N 356.470 2.530 0 50 FFAA CN(C(=O)CCc1nc(-c2ccco2)no1)[C@@H]1CCCc2c1cnn2C 154469897 GSLUCYHMMTYKOA-CYBMUJFWSA-N 355.398 2.532 0 50 FFAA C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)O[C@H]1CCc2c(Cl)cccc21 2325721180 YGLPGOOLQHCHNI-GOPGUHFVSA-N 365.857 2.926 0 50 FFAA CC(C)(C)n1nnc(CCN2CC[C@]3(c4ccccc4)[C@@H](C2)C3(F)F)n1 2325756519 FYHIAIKIGGKFOM-QAPCUYQASA-N 361.440 2.879 0 50 FFAA Cc1cc(C)c2c(c1)[C@@H](NC(=O)[C@H](O)c1cccc3c1OCC3)CCO2 2325826640 HXVFMQXPORVJNE-ZWKOTPCHSA-N 353.418 2.912 0 50 FFAA CCCCC(=O)NCC[C@@H](C)N(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867675 BYKSEIYPVRACGF-CSNJMZFVSA-N 351.535 2.793 0 50 FFAA O=C(NCc1csc(Br)n1)c1nc2cnccc2s1 2325878397 NYZFKOFXHZIMBR-UHFFFAOYSA-N 355.242 2.840 0 50 FFAA CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 895795944 YTGJERZRUMGPCI-IBGZPJMESA-N 364.453 2.634 0 50 FFAA CNC(=O)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1Cl 136059302 IGFFDFATCVUUOB-NSHDSACASA-N 359.651 2.843 0 50 FFAA CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O 715829 ZORANTXOHGLUOY-UHFFFAOYSA-N 361.401 2.849 0 50 FFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(OC(C)C)cc2)NC(=O)N1 1074523 FFLQNKYPYRSLTL-SJLPKXTDSA-N 374.437 2.824 0 50 FFAA CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 1109582 IKGRNGZPMLNUMC-AWEZNQCLSA-N 362.451 2.699 0 50 FFAA CCOCCOC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1775278 NFVMGWKOORQLNW-VXGBXAGGSA-N 364.467 2.724 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)Cc2c(F)cccc2F)CC[C@H]1O 2356151073 PXMPVYPCRRPKGZ-VQIMIIECSA-N 369.408 2.608 0 50 FFAA O=C(O)c1cccc(CN2CCc3nc(Cc4ccccc4)nn3CC2)c1 2356168444 DNQJOWRBDPUPPZ-UHFFFAOYSA-N 362.433 2.625 0 50 FFAA Cc1nc2ccccc2nc1SCc1nc(N)nc(N2CCCCC2)n1 4512207 BWIGMUNFFZGPTJ-UHFFFAOYSA-N 367.482 2.988 0 50 FFAA COC[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)C1 113607305 NQQQZGGTMJQWQX-OAHLLOKOSA-N 362.470 2.803 0 50 FFAA Cc1nc(-c2cc3ccccc3nc2N2CCN(C(=O)C3CC3)CC2)no1 21792872 HFDFLQAJFCKNLJ-UHFFFAOYSA-N 363.421 2.652 0 50 FFAA Cc1nnc(SCCCNC(=O)c2scc3c2OCCO3)s1 55212055 DXOPVXIQVOUOGL-UHFFFAOYSA-N 357.482 2.591 0 50 FFAA CCOC(=O)N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 179517109 HPGUMQOTCWXYDA-UHFFFAOYSA-N 355.438 2.935 0 50 FFAA COc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 10450868 KJZKNZOXRJPZCB-UHFFFAOYSA-N 354.450 2.855 0 50 FFAA CCCN(CC(=O)OC(C)(C)C)C(=O)Cn1ccc2ccccc2c1=O 468419285 UFEUARAJBFOMBD-UHFFFAOYSA-N 358.438 2.582 0 50 FFAA Fc1cccc([C@@]2(CNCc3cccc(-n4cncn4)c3)CCOC2)c1 23192141 KZOHVASYFLZXFX-HXUWFJFHSA-N 352.413 2.854 0 50 FFAA C[C@H](Nc1nc(CCN)nc2ccccc12)c1nc(-c2cccnc2)no1 65455196 YZPZNDBFDCBOCR-LBPRGKRZSA-N 361.409 2.749 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)Cn1nc2c(cc1=O)CCCCC2 61721646 DXBPGOBIUPLLRN-MRXNPFEDSA-N 353.466 2.650 0 50 FFAA Cc1cc(C)c(CN2CCN(C(C)C)[C@@H](CCO)C2)c(-n2cccn2)c1 20600764 DJKGVKPTNDOBAM-IBGZPJMESA-N 356.514 2.766 0 50 FFAA O=C(c1ccc([C@@H]2CCCN2CCCn2cccn2)s1)N1CCOCC1 20909381 CBNOLASYAULBQZ-INIZCTEOSA-N 374.510 2.644 0 50 FFAA COCCN1C[C@H](c2nc(-c3cnn(-c4ccccc4C)c3)c[nH]2)CC1=O 20909786 JUNYGOWOQZBBEK-OAHLLOKOSA-N 365.437 2.533 0 50 FFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 328591267 VKNSGDRTTQJUJK-XRULBBBTSA-N 372.509 2.606 0 50 FFAA CN(Cc1cccc(C(=O)Nc2nnc3ccccn23)c1)Cc1ccno1 65385440 ZTOUKUADJQQXEU-UHFFFAOYSA-N 362.393 2.602 0 50 FFAA COc1cccc(CN[C@@H](CO)c2ccccc2)c1OCCn1ccnc1 65395560 VNNLRFSRXBRNFQ-IBGZPJMESA-N 367.449 2.794 0 50 FFAA O=C1C[C@H](c2ccccc2Cn2cccn2)c2c(nc3ccccn23)CN1 65375025 QRRJUCRGPWLQPI-QGZVFWFLSA-N 357.417 2.731 0 50 FFAA O=C([C@H]1CCCCO1)N1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 216020228 CYSHHDIESPWKCF-LJQANCHMSA-N 370.449 2.807 0 50 FFAA CCn1ccnc1[C@@H](Nc1ncnc2c1ncn2CC)C1CCOCC1 284498408 GZZPUQZWBJITGL-AWEZNQCLSA-N 355.446 2.642 0 50 FFAA C[C@H]1C[C@H](CSCC(=O)Nc2ccc(C(=O)N(C)C)cc2)CCO1 485598725 KPBGOVDNRYUMRN-UONOGXRCSA-N 350.484 2.875 0 50 FFAA O=C(Nc1ncc(C2CCOCC2)s1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 333444417 XCQYIAHMIPOXIL-MELADBBJSA-N 351.472 2.662 0 50 FFAA COc1cc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)ccc1F 39468285 JQJZGWWVPNRANV-MRXNPFEDSA-N 364.486 2.965 0 50 FFAA Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cn1 237986407 MJRKPXKGCZBFOY-GOSISDBHSA-N 360.417 2.644 0 50 FFAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCC12CC3CC(CC(C3)C1)C2 14688448 PSUSGVBBKJCCDF-PVTWRPHESA-N 372.509 2.884 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72429296 IWMFLIWQWCYLNA-UHFFFAOYSA-N 366.339 2.518 0 50 FFAA CCOc1cnc(-c2noc([C@H]3Cc4ccccc4CN3C(C)=O)n2)cn1 377462422 ZZLKHTYJZBSTDT-MRXNPFEDSA-N 365.393 2.571 0 50 FFAA Cn1nnc(-c2ccc(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cc2)n1 72150490 VYXJGEMQFKHGEJ-GOSISDBHSA-N 362.437 2.594 0 50 FFAA COC(=O)[C@@H]1C[C@H](N)CN1C(=O)OCC1c2ccccc2-c2ccccc21 39952134 JQPYOURZBOBMIS-DJJJIMSYSA-N 366.417 2.510 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1ccnc(NC(=O)C3CC3)c1)C[C@H](C)O2 286102949 NIGOCGGBFBTCJF-LBPRGKRZSA-N 367.405 2.866 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3ncsc3c2)[C@H]2C[C@@H](O)C2)cn1 218986249 CORMLOJBJQJCFH-DEYYWGMASA-N 369.446 2.942 0 50 FFAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cnn(-c2ccccn2)c1C 462512920 UHFSOWYCLBUYFJ-QGZVFWFLSA-N 368.462 2.850 0 50 FFAA Cc1cc(NCc2cc3n(n2)CCCN(C2CCCCC2)C3)nc(N)n1 82121023 GGBOSGQYBOHXRA-UHFFFAOYSA-N 355.490 2.714 0 50 FFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1Cc1ccc(OCCO)cc1 82121647 TUXDEQUQMPBDKO-OAHLLOKOSA-N 374.868 2.948 0 50 FFAA Cc1ccccc1OC[C@H](O)C(=O)N1CCCN(c2ccccc2C)CC1 220584577 GWLAUHPRMCOALD-FQEVSTJZSA-N 368.477 2.782 0 50 FFAA Cc1ccc(F)c(OC2(C(=O)O)CCN(c3ncnc4[nH]ccc34)CC2)c1 82106595 CZDNFYDTWCJGPM-UHFFFAOYSA-N 370.384 2.908 0 50 FFAA O=C(c1cccc(-n2cnnn2)c1)N1C[C@H]2CCCCN2c2ccccc21 294297032 ODSJKWYCGXSFLC-QGZVFWFLSA-N 360.421 2.682 0 50 FFAA Cc1nc(C)c(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)s1 96151791 HUURZLOAJJSYPE-KXBFYZLASA-N 363.527 2.911 0 50 FFAA Cc1nn(CC(=O)N2CCC[C@H]2c2nc(-c3cccnc3)no2)c(C)c1C 97532622 RSMSPLJCFALPHL-INIZCTEOSA-N 366.425 2.617 0 50 FFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cnc(CN2CCCC2)s1 97425113 PFUVQOVVGYPBHZ-HNNXBMFYSA-N 361.515 2.780 0 50 FFAA CCCNC(=O)c1ccc(NC(=O)N(C)CCCc2nccn2C)c(C)c1 97743271 ZQKQOSRRYWQWFP-UHFFFAOYSA-N 371.485 2.965 0 50 FFAA CN(C)C(=O)c1noc2c1CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 91519423 ZOOATGVSVUTNSG-UHFFFAOYSA-N 371.481 2.868 0 50 FFAA Cn1nnc2cc(NC(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)ccc21 97784838 GAZGXWJRBMDPKZ-INIZCTEOSA-N 366.425 2.576 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)on1 95511086 YKNQDDGTKADBPR-OAHLLOKOSA-N 359.474 2.576 0 50 FFAA Cc1ccc([C@@H](CNc2nccc(-c3ccccn3)n2)N2CCOCC2)o1 97797235 XBJKHVORKJTEAQ-GOSISDBHSA-N 365.437 2.925 0 50 FFAA COc1ccc2c(c1)[C@H](C(=O)NCCCc1nc(C)cs1)CC(=O)N2 91519311 GTQBZYCXORCWDV-CQSZACIVSA-N 359.451 2.635 0 50 FFAA Cc1c(NC(=O)Nc2cccc(-n3ccnn3)c2)cnn1C1CCOCC1 296905071 CAAUYIFGBIOZCZ-UHFFFAOYSA-N 367.413 2.768 0 50 FFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 95391141 LNFAFNYJMJSDMB-GOSISDBHSA-N 372.465 2.884 0 50 FFAA O=C(Nc1cccc(OC(F)F)c1)N[C@H]1CCCN(c2cnccn2)C1 97436825 SEKNAJDFVQLOJL-ZDUSSCGKSA-N 363.368 2.869 0 50 FFAA Cc1n[nH]c([C@H]2CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1 95529094 DBRPOHBAHMFNCV-AWEZNQCLSA-N 351.414 2.915 0 50 FFAA Cc1c(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2cccc3c2n1CCC3 91974035 SJPCZBOZJGSCRT-MRXNPFEDSA-N 365.477 2.566 0 50 FFAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)CO)CC1 95529565 NDAHRSMWJZBVLF-UHFFFAOYSA-N 367.493 2.623 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc3cc[nH]c3c1)CC2 91677976 ZBMPFSUAXLGVLK-UHFFFAOYSA-N 363.465 2.901 0 50 FFAA O=C(CCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2)N1CCCC1 91846338 IQSUQGVDLQDFDC-AZUAARDMSA-N 359.489 2.734 0 50 FFAA COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2F)[C@H]2C[C@@H](O)C2)cn1 244633605 GFTXPMOKWCAORC-BIENJYKASA-N 362.376 2.539 0 50 FFAA O=C(NCc1cc(F)ccc1F)c1nnn2c1CO[C@H](c1ccccc1)C2 263618338 SLEQTUCYMNWFQB-KRWDZBQOSA-N 370.359 2.758 0 50 FFAA CC[C@H](NC(=O)Nc1nnc(-c2ccco2)s1)[C@H](O)C(F)(F)F 270863702 KIYSSLNUUQJXNR-XPUUQOCRSA-N 350.322 2.621 0 50 FFAA CCN(CCn1cccn1)C(=O)c1cccc(-c2nccc(N)c2OC)c1 584890845 FBAPNGGUCQFFBH-UHFFFAOYSA-N 365.437 2.698 0 50 FFAA COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2nncn2C(C)C)c(C)c1C 670439346 TZACAAFNNKLNJL-AWEZNQCLSA-N 366.487 2.832 0 50 FFAA COc1cc(F)c(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)cc1OC 1875299172 BOSIMZTVWNMTBJ-VHSXEESVSA-N 363.389 2.518 0 50 FFAA O=C(NC[C@]12CCCN[C@@H]1C2)[C@H](c1ccccc1)n1cnc2ccccc21 1875276560 BOQQSUAAFVSUGN-RZUBCFFCSA-N 360.461 2.884 0 50 FFAA O=C(O)CCc1cccc(CO)c1-c1cccc([C@@H](O)C(F)(F)F)n1 1875279215 DUUCGCZIJAVOCW-MRXNPFEDSA-N 355.312 2.854 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(F)(F)F)c1 1875380030 CMFWDUHNICVOBE-NEBZKDRISA-N 354.328 2.649 0 50 FFAA C=CC(=O)N[C@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)c1ccccc1OC 1875385793 BLNVZNSWDIMCFE-ZWKOTPCHSA-N 368.408 2.634 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 1875373835 QDXGRFOVYQENFK-MRXNPFEDSA-N 354.381 2.708 0 50 FFAA CC[C@@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C)N1CCOCC1 952982398 GYKRYYDGBCXLSH-KRWDZBQOSA-N 361.486 2.573 0 50 FFAA FC(F)(F)c1ccc(NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)nn1 888078625 DGKHMICAVIKAKJ-CABZTGNLSA-N 355.320 2.946 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cccnc2O)C1 888102222 ATYOSFZMFSJSBF-JTQLQIEISA-N 354.332 2.559 0 50 FFAA CC(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@H]1NC(=O)N(C)C 1565507443 VNSKENCHUVLWLJ-ZBFHGGJFSA-N 369.868 2.776 0 50 FFAA CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)c1 170617176 AVLAUWAWTQEFGJ-QGZVFWFLSA-N 353.422 2.611 0 50 FFAA O=C(NCc1nccn1C(F)F)N[C@@H]1CCCN(Cc2ccccc2)C1 170682850 NIXHORFXBWLWAP-OAHLLOKOSA-N 363.412 2.742 0 50 FFAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](N(C)CC(=O)O)CC1 186662423 FTLXVGLDJSOSRL-MAUKXSAKSA-N 364.461 2.792 0 50 FFAA O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1CCN(c2cccnn2)CC1 280243608 IEXQPHVLUGCNCD-FUHWJXTLSA-N 369.444 2.784 0 50 FFAA COc1cc(C)cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1O 111630204 BPIKNBVLRKVJRX-AWEZNQCLSA-N 374.824 2.898 0 50 FFAA CC(C)n1cc2c(n1)[C@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCC2 781052100 DZPVHHVGWYXLQK-MRXNPFEDSA-N 369.469 2.836 0 50 FFAA C[C@H](C(=O)Nc1cnn2c1NCCC2)N1C(=O)c2cccc3cccc1c23 1506405680 DJLZMSAVDPNNBC-GFCCVEGCSA-N 361.405 2.839 0 50 FFAA CCCC[C@@H]1CN(c2cc(C(=O)N3CCOCC3)ccn2)C[C@H](C2CC2)O1 1529158810 NCSUOZNQMRMBHG-RTBURBONSA-N 373.497 2.728 0 50 FFAA CCc1ccc(CN2CCCN(C(=O)CCn3cc(C)cn3)CC2)s1 1529152662 VOKOUEXUKQLQQO-UHFFFAOYSA-N 360.527 2.940 0 50 FFAA CCc1ccc(NC2=N[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2)cc1 5794761 SFMSCKMGPHZNDQ-INIZCTEOSA-N 366.421 2.553 0 50 FFAA COc1cc(CN[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc(OC)c1 14964795 ACZFPTIPHYLFLV-QGZVFWFLSA-N 358.413 2.734 0 50 FFAA COc1ccc(F)c(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 19595173 QKFSUBCLCGFCLI-FQEVSTJZSA-N 372.484 2.946 0 50 FFAA O=C(CCCn1cccn1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857675999 AKJSKKDQDDBZQC-ZVDOUQERSA-N 353.466 2.648 0 50 FFAA C[C@H]1OCC[C@@]1(O)CNC(=O)c1cnc(-c2ccccc2Cl)s1 225723419 VSTXUADOHDDXDO-QLJPJBMISA-N 352.843 2.733 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2ccncc2F)C1 491454884 BZWFSDLGIIXXHW-SNVBAGLBSA-N 356.323 2.993 0 50 FFAA Cc1noc(C[C@@H]2CCCN(S(=O)(=O)CC34CCC(CC3)C4)C2)n1 907499126 UHWFBWJHGCCYJU-CKDBGZEDSA-N 353.488 2.543 0 50 FFAA N[C@H]1C[C@@H](c2cc(N3CCN(c4nc5ccccc5s4)CC3)ncn2)C1 222919445 OHYHAGOVRWXVHJ-HDJSIYSDSA-N 366.494 2.618 0 50 FFAA COc1cccc(OCCn2c(CN3CCOCC3)nc3ccccc32)c1 19939685 MJLRADLZUGUISO-UHFFFAOYSA-N 367.449 2.956 0 50 FFAA COC(=O)[C@@H]1CC=C[C@@H](NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 2325764312 MFUOUINHWPXTMF-JSMQFAGNSA-N 351.406 2.510 0 50 FFAA CCN1CCN(C(=O)c2ccc(NCc3cnc4sccn34)cc2)CC1 2325777433 BCSOUXGPQFUOFS-UHFFFAOYSA-N 369.494 2.786 0 50 FFAA Cc1nn(C)c(C(F)F)c1NC(=O)c1c(C(F)F)nc2cnccn12 2325786897 VSSQSBSMQFGXLF-UHFFFAOYSA-N 356.283 2.899 0 50 FFAA CO[C@@H]1CCNC[C@H]1C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 2325874727 YWROYFZSANEBGR-NJDAHSKKSA-N 350.462 2.785 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)C1 2325889293 JAVAYDRBXFWWPX-CYBMUJFWSA-N 356.422 2.794 0 50 FFAA CN1CCC[C@@H](CN(C)C(=O)c2cnn3c(-c4ccccc4)ccnc23)C1 115434328 ULNZYAOMDHGYLT-MRXNPFEDSA-N 363.465 2.810 0 50 FFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCC(CN3CCOCC3)CC2)c1 116728596 OTTOLGYZQBLFBP-UHFFFAOYSA-N 371.525 2.780 0 50 FFAA CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCc3cccc(F)c3C2)C1 132393772 DLFYJOGQPYYMMW-MRXNPFEDSA-N 361.461 2.788 0 50 FFAA COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(OC)c1O 754304 SDMYZAFOXJKZSN-YOEHRIQHSA-N 368.389 2.579 0 50 FFAA biogenic O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccc1 904517 PPQTYNBEJPVTOP-UHFFFAOYSA-N 352.415 2.665 0 50 FFAA COc1ccccc1NC(=O)CCN1CCN(c2ccccc2F)CC1 1178352 ZZHWFDKPYCSOMA-UHFFFAOYSA-N 357.429 2.985 0 50 FFAA O=C(CCCc1nc2ccccc2s1)NC[C@@H](O)c1cccc(O)n1 2356159318 VOOZAGFOBRAEFE-CQSZACIVSA-N 357.435 2.569 0 50 FFAA COC(=O)c1ccc(OC)c(CN2CCC[C@@]23CCCN(C(C)C)C3=O)c1 2356169159 VJOUURCKOPGHOO-NRFANRHFSA-N 374.481 2.847 0 50 FFAA O=Cc1cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12 4866004 IUHOYVPKGCFIDO-UHFFFAOYSA-N 363.417 2.929 0 50 FFAA CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 4993774 IUDNLCMTDKXNAL-UHFFFAOYSA-N 355.467 2.943 0 50 FFAA Cc1c(O)ccc2c(CN3CCN(c4ccccn4)CC3)cc(=O)oc12 7389655 ASPSHXLDXYXMQN-UHFFFAOYSA-N 351.406 2.524 0 50 FFAA CN(C)[C@@H](CNC(=O)NC[C@H](N)c1ccccc1)c1ccccc1Cl 416842089 IQRPNPVMGOGLAM-ROUUACIJSA-N 360.889 2.942 0 50 FFAA CCCn1nccc1C(=O)Nc1cc(C(N)=O)ccc1N1CCC[C@@H](C)C1 55370189 RPHKCBYXZYWXJZ-CQSZACIVSA-N 369.469 2.881 0 50 FFAA NC(=O)COc1cccc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c1 55196924 FISJDAMMJGDFBT-FQEVSTJZSA-N 372.440 2.871 0 50 FFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1nc(Cc2ccccc2)n[nH]1 20481652 QTOCXNUNKJCQPK-UHFFFAOYSA-N 351.414 2.660 0 50 FFAA O=C(CCCn1cncn1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 67673902 UDWMODBYYBGZRK-UHFFFAOYSA-N 364.453 2.855 0 50 FFAA COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C)cc2)CC1 20707280 YOIXFQDUIKUWPZ-SFHVURJKSA-N 356.466 2.566 0 50 FFAA CC1CCN(Cc2ccc(C(=O)N3CC[C@@]4(CCCN(C)C4=O)C3)o2)CC1 67842062 AEXQNMZEHOZKDU-NRFANRHFSA-N 373.497 2.596 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c2cccnc12 252477682 TYYKEUDIOMVTBQ-CVEARBPZSA-N 359.495 2.791 0 50 FFAA CCCC[C@@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 32210649 OGHUUPAEGJCGAK-OAHLLOKOSA-N 364.467 2.828 0 50 FFAA CN(C)c1cccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 75035179 CGVFSASSMGJVPC-UHFFFAOYSA-N 357.479 2.802 0 50 FFAA O=C(O)c1cccc(CC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 364928222 GDBPSKFVXZUZDW-UHFFFAOYSA-N 372.465 2.615 0 50 FFAA O=C1CCc2cc(NCC(=O)N3CCc4ccccc4C3)c(F)cc2N1 155884379 KFLJTIZYDIIBDS-UHFFFAOYSA-N 353.397 2.707 0 50 FFAA COc1ccc(CC(=O)N2CC[C@@](O)(c3ccccc3C)C2)cc1OC 219223780 NZFNOFMVMMMDAX-NRFANRHFSA-N 355.434 2.675 0 50 FFAA Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCCc4ccccc4CC3)O2)n1 333217021 LHNZGGZXYANPDA-MSOLQXFVSA-N 370.453 2.799 0 50 FFAA O=C(c1cc2c(F)cc(Br)cc2[nH]1)N1C[C@H](O)C2(CC2)C1 368746412 PAPCUIUIVGCXOW-ZDUSSCGKSA-N 353.191 2.666 0 50 FFAA O=C1C[C@]2(CCN(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)C2)Oc2ccccc21 334027964 ITLTXIRBOOXPQV-QYDULMRYSA-N 370.449 2.764 0 50 FFAA COc1ccc(CN(C)[C@@H](C)Cc2ccccn2)cc1Cn1cncn1 216310727 FSWIIHMGGAGVEP-INIZCTEOSA-N 351.454 2.793 0 50 FFAA CN(C)Cc1nc(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)cs1 72122393 DARMZHVXBATYOS-AWEZNQCLSA-N 373.478 2.608 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCN([C@H]3CN4CCC3CC4)CC2)cc1 72417885 LLNLUQAYFXVRPW-QFIPXVFZSA-N 371.569 2.602 0 50 FFAA O=C1CC2(CCN(C[C@H]3CCNC3)CC2)CN1Cc1ccc(Cl)cc1 77354915 BJHSMMNEAIWYKH-KRWDZBQOSA-N 361.917 2.764 0 50 FFAA O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@](O)(CO)CC1 219809158 XOUKHGDFIVOEMN-JOCHJYFZSA-N 353.462 2.945 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cccc(Cl)c1 40267926 KBFQOIUVQYVBQH-UHFFFAOYSA-N 353.809 2.880 0 50 FFAA OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCCC1 20878074 JYGUULWDAKZDRC-QGZVFWFLSA-N 360.527 2.893 0 50 FFAA CCC[C@@H](NC(=O)c1cccc(-c2cnc(N)cn2)c1)c1nccn1C 426490688 WWNBFPSKRTYNNM-OAHLLOKOSA-N 350.426 2.731 0 50 FFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)NCCc3cnn(C)c3)C2)c1 426599037 XZEIZKCUDOLNTP-GOSISDBHSA-N 356.470 2.772 0 50 FFAA CC(C)N1C[C@]2(CCCN(S(=O)(=O)Cc3ccccc3)C2)CCC1=O 82087122 GPZDFMXONRBURY-LJQANCHMSA-N 364.511 2.629 0 50 FFAA CC(C)CN1CCC(NC(=O)NCCc2nc3c(s2)CCCC3)CC1 179617635 JERAWUBKUZQPBZ-UHFFFAOYSA-N 364.559 2.984 0 50 FFAA O=C1N(CCO)CCC[C@@]12CCN(c1nc3ccc(Cl)cc3s1)C2 91304014 IVXBEAJFNYTFEC-KRWDZBQOSA-N 365.886 2.761 0 50 FFAA COc1ccc(F)cc1CN1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91695396 SGVAUQPZIIJDPS-QZTJIDSGSA-N 350.478 2.751 0 50 FFAA Cc1ccnn1CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91644290 KPWODZPNEIRVGE-LBPRGKRZSA-N 359.380 2.841 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1C)CC2 91974214 NVWXWCDRDQOILK-UHFFFAOYSA-N 358.482 2.795 0 50 FFAA O=C(NCc1csc(-c2cccs2)n1)c1ccnc(-n2cnnc2)c1 97766450 QDOKUUXDCUTRDZ-UHFFFAOYSA-N 368.447 2.777 0 50 FFAA CSCC[C@H](O)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 95496640 KNXSILJOGGEQTL-SFHVURJKSA-N 373.522 2.751 0 50 FFAA CCN(C(=O)c1c(-c2ccccc2)ccnc1C)[C@H]1CCS(=O)(=O)C1 95369742 TWJYASHSESVPAR-INIZCTEOSA-N 358.463 2.706 0 50 FFAA Cc1nnsc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1 95503689 XPPUGYUGTSSJDA-UHFFFAOYSA-N 374.495 2.568 0 50 FFAA CCc1c(C)nn(CCNC(=O)c2cc3cc(OC)ccc3n2C)c1C 92028099 QHVINLJDDAHKHR-UHFFFAOYSA-N 354.454 2.993 0 50 FFAA CC(C)c1cc(-c2nc(CC(N)=O)nn2-c2ccc3c(c2)CCC3)no1 97805764 GOLZIPPXFDWAGY-UHFFFAOYSA-N 351.410 2.562 0 50 FFAA CCc1nc(C)c(Cc2nc(COc3cccc(F)c3)nn2CC)c(=O)[nH]1 96161938 ZFSDXBMAFRUSMJ-UHFFFAOYSA-N 371.416 2.561 0 50 FFAA CNc1nc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)ncc1F 91254642 ZXNXIOAMTXTBES-OAHLLOKOSA-N 367.432 2.681 0 50 FFAA O=C(c1ncccc1O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95380691 GQLJUQQRXLWMNO-DOTOQJQBSA-N 355.413 2.663 0 50 FFAA CNc1cc(C)nc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 95355424 FTHHNTGCKAVJES-CQSZACIVSA-N 369.498 2.912 0 50 FFAA C[C@H](c1cn2ccsc2n1)n1cc(Cn2c(=O)oc3ccccc32)nn1 91440350 ABZAKZADUZKOFW-LLVKDONJSA-N 366.406 2.553 0 50 FFAA COCCc1noc(CN2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 244707777 KHJYDEBLNWUGSY-HNNXBMFYSA-N 369.425 2.688 0 50 FFAA CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N=C3N(N)c4ccccc4N32)cc1 253495479 GBNKQNWCNJWFHR-QGZVFWFLSA-N 363.421 2.604 0 50 FFAA CC[C@H]1C(=O)NCCN1C(=O)NCC(C)(c1ccccc1)c1ccccc1 534578967 SSMOGZNZPWKHMF-IBGZPJMESA-N 365.477 2.913 0 50 FFAA Cc1cc(C(=O)NCc2nncn2C2CCCCC2)c2c(C)nn(C)c2n1 299755203 BECPMOVNTJKPIX-UHFFFAOYSA-N 367.457 2.612 0 50 FFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc(-n2cccn2)ccc1C 823086817 MBXRKUXHDVJLEY-KRWDZBQOSA-N 363.483 2.760 0 50 FFAA C[C@H]1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)C[C@@H](C)N1Cc1ccccc1 1875296228 KRVJJCAHOHIUAN-KCITZHQASA-N 357.498 2.555 0 50 FFAA N[C@H]1CC[C@@H](C(=O)NCc2cc3c(nc2O)CCCC3)c2ccccc21 1875287802 ZZERVWAQHHWAPO-MSOLQXFVSA-N 351.450 2.860 0 50 FFAA Cc1cc(=N[C@@H](C)CC2(O)CCOCC2)[nH]c(N(C)c2ccccc2)n1 1875360470 ASUUJVBPIPHFKH-INIZCTEOSA-N 356.470 2.707 0 50 FFAA Cc1ccc([C@H](C)C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)s1 1875320589 GKVHVWDOOAWXQL-ZDUSSCGKSA-N 355.467 2.780 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)n1 952991737 SBEHVRKNWFDILT-UHFFFAOYSA-N 366.425 2.794 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)o1 952980634 XLHSXAMTZMDQNT-LLVKDONJSA-N 351.453 2.653 0 50 FFAA Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c(F)c1 1565515580 SDEFWMKDCGVMOQ-HOTGVXAUSA-N 350.415 2.695 0 50 FFAA C[C@@H]1C[C@@H](C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCO1 271898805 VWBSLCMOLCNPHN-HIFRSBDPSA-N 352.425 2.861 0 50 FFAA O=C(c1c[nH]nc1-c1cc2ccccc2o1)N1CC[C@@](O)(C(F)(F)F)C1 187239517 YXPAQUIDRDOACD-INIZCTEOSA-N 365.311 2.962 0 50 FFAA COC(=O)[C@H](NCc1nc(-c2cccnc2)no1)c1ccc(F)c(C)c1 170082311 JHFOSUVTQGOGKX-MRXNPFEDSA-N 356.357 2.583 0 50 FFAA C[C@@]1(C(=O)Nc2ccc(OC3COC3)cc2)Cc2ccccc2C(=O)O1 170602620 WXBVELHPUOQXCK-FQEVSTJZSA-N 353.374 2.575 0 50 FFAA O=C(c1cccc2c1OCCO2)N1CCO[C@H](c2ccc(F)cc2F)C1 188391895 GNMWWLKRCZHXOX-KRWDZBQOSA-N 361.344 2.950 0 50 FFAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2Cc3ccccc3C(=O)O2)C12CCCC2 225383084 KWHDXUCAQZVUQG-KZNAEPCWSA-N 357.450 2.964 0 50 FFAA CC(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)nc2ncnn12 1506402747 JIOKBHDOKZPLFF-UHFFFAOYSA-N 361.409 2.745 0 50 FFAA CC[C@@H](NS(=O)(=O)c1cc(-c2ccno2)sc1C)c1ccnn1C 1506420796 RFSRYKXQDHEUOD-LLVKDONJSA-N 366.468 2.875 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529119589 YHVQFGLDAZTIHA-RTBURBONSA-N 357.454 2.601 0 50 FFAA O=C(c1ccc(O)cc1F)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704335060 KQDWHFIDLMRJNU-JLTOFOAXSA-N 366.392 2.755 0 50 FFAA CCOc1ccc(CCCC(=O)N2C[C@@H]3COCC[C@]3(CO)C2)cc1C 1772701330 FAOPKWBQLLKOGI-WIYYLYMNSA-N 361.482 2.574 0 50 FFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCOC 11879669 YNFPGBZRFDIGQG-GOSISDBHSA-N 350.478 2.965 0 50 FFAA Cc1ccc([C@H](C)CCN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)o1 12039943 YPSPKWMYLZMINL-CQSZACIVSA-N 371.485 2.902 0 50 FFAA CC(C)CCN[C@H]1CCc2c(sc3ncn(CCN(C)C)c(=O)c23)C1 12332046 AWBCWLGPTOLOPJ-AWEZNQCLSA-N 362.543 2.513 0 50 FFAA COc1ccc(-c2noc(CN3CCC(C(=O)N4CCCC4)CC3)n2)cc1 12332752 QFNYERSMPJZUNF-UHFFFAOYSA-N 370.453 2.580 0 50 FFAA CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 13944114 UNBXBXDVSIZRSD-RDJZCZTQSA-N 357.454 2.789 0 50 FFAA CC[C@H](COC)Nc1ncnc2sc(C(=O)NCCSC)c(C)c12 14986493 XHKDGVOBTRRWSD-LLVKDONJSA-N 368.528 2.929 0 50 FFAA Cc1ccc(-n2cccn2)c(CN2CCC[C@@H](N3CCC(CO)CC3)C2)c1 19757467 JTQPAFKRQLWZKT-OAQYLSRUSA-N 368.525 2.849 0 50 FFAA Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 19792326 MAMCDQVRQWMPDU-OAHLLOKOSA-N 356.474 2.828 0 50 FFAA Cc1cnc2c(C(=O)N3CCc4[nH]nc(-c5ccccc5)c4CC3)cnn2c1 1857672493 DEXJULCBTAXZPN-UHFFFAOYSA-N 372.432 2.669 0 50 FFAA CC(C)(C)C(=O)NC[C@H]1[C@H]2CN(CCc3ccccc3)C[C@]23CC[C@H]1O3 1857719912 XGUIMNAMYDHTIE-JZJXAQOMSA-N 356.510 2.871 0 50 FFAA Cc1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)c2cc(F)ccc2n1 1857723575 LWOSDVCFIXHTDD-TWOQFEAHSA-N 369.440 2.664 0 50 FFAA COc1ccc(CC[C@H](C)N[C@@H]2CCCN(c3nccnc3O)C2)cc1 328628868 HRYBCKQYUAPHBD-DOTOQJQBSA-N 356.470 2.771 0 50 FFAA CC[C@@H](C)n1ncc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1C1CC1 329861499 QHVROLYOEVEARH-HIFRSBDPSA-N 368.485 3.124 0 50 FFAA Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)n1C 132268970 JQBNESMSPFPOBK-OAHLLOKOSA-N 365.355 2.666 0 50 FFAA COCc1nc(Cc2noc([C@@H]3Cc4ccccc4N3C(C)=O)n2)cs1 377641994 BEQRXCMCVHRZBL-HNNXBMFYSA-N 370.434 2.914 0 50 FFAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCSC1 266786147 RVVIIOCOMWEBRF-GFCCVEGCSA-N 352.847 2.737 0 50 FFAA COc1cccc(O)c1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 900183039 PIKXFLYAYJRROA-UHFFFAOYSA-N 370.405 2.654 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)sc1Br 227649271 BTQURROBNXOYNH-VHSXEESVSA-N 367.334 2.567 0 50 FFAA CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(OC)ccc3C)ccc2[nH]1 2325740886 JKVKTAKPEZTPHI-UHFFFAOYSA-N 373.434 2.645 0 50 FFAA CNC(=O)c1cc2cc(NC(=O)N3CCC[C@H]3c3ccn(C)n3)ccc2[nH]1 2325792593 WFAVNTLEEHJUPS-KRWDZBQOSA-N 366.425 2.630 0 50 FFAA CC(=O)N[C@H]1C[C@H]2C[C@@H](NC(=O)c3c(Cl)cncc3Cl)C[C@H]2C1 2325855120 ITHFHZOLANLRCC-BKUVIOGVSA-N 356.253 2.812 0 50 FFAA CC(C)C(=O)NC[C@H](C)CN=c1[nH]c2cc(Br)ccc2o1 2325867282 QFECNHGXVGNBPS-JTQLQIEISA-N 354.248 2.832 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 803060 GGMHLYHRHOIIFR-UHFFFAOYSA-N 365.389 2.602 0 50 FFAA CCOc1ccc(N([C@H](C)C(=O)N2CCCCCC2)S(C)(=O)=O)cc1 916172 ZYUAJIQHNFKTBX-OAHLLOKOSA-N 368.499 2.642 0 50 FFAA O=C(CNC(=O)c1ccco1)OCc1ccc(C(=O)c2ccccc2)cc1 1075039 UWLARXXDSYYBEZ-UHFFFAOYSA-N 363.369 2.984 0 50 FFAA CN1CCC[C@]2(CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)C1=O 2356138733 GLPGRKKIWBOTPD-INIZCTEOSA-N 356.344 2.812 0 50 FFAA Cc1cc(O)c(C(c2ccc(O)cc2)c2c(O)cc(C)oc2=O)c(=O)o1 4118140 SPBXYWALWBUTNQ-UHFFFAOYSA-N 356.330 2.507 0 50 FFAA COc1ccc(OCC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 4513079 XITTZTSTTRSGNT-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1nccs1 4519820 ACJUPLXWXQIEIE-NSHDSACASA-N 359.480 2.982 0 50 FFAA CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccccn1 7059559 UIDJFJFWNDLZDW-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA NC(=O)c1cccnc1N1CCC(n2cc(CC3CCCCC3)nn2)CC1 55284513 UBUQIGVLCQKKOF-UHFFFAOYSA-N 368.485 2.736 0 50 FFAA CC(C)Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741082 XYTGHGUCACRIKY-LBPRGKRZSA-N 352.504 2.960 0 50 FFAA Cc1nc2c(c(=O)n1C)CCN(C(=O)Nc1ccccc1C(C)C)CC2 65409179 WSORFXYPMZAERV-UHFFFAOYSA-N 354.454 2.845 0 50 FFAA Cc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1 21726228 PSVMOWAHKJZCKB-HNNXBMFYSA-N 373.420 2.709 0 50 FFAA CC(=O)N1CCC[C@@H](CNC(=O)Nc2nnc(-c3cccs3)s2)C1 55035796 QYXDORAWPVEWOH-NSHDSACASA-N 365.484 2.647 0 50 FFAA Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2F)nc(N)n1 67755867 CVMGTPLBSIRJFN-UHFFFAOYSA-N 353.357 2.624 0 50 FFAA CC1(C)C[C@]1(CNC(=O)c1cc(CN2CCOCC2)on1)c1ccccc1 20539416 IADMQYFZMPSOGD-NRFANRHFSA-N 369.465 2.605 0 50 FFAA O=C1CC[C@H](CC(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)N1 67833814 LYWGJQLKDBRPLM-OAHLLOKOSA-N 374.444 2.783 0 50 FFAA C[C@@H]1[C@H](C(F)(F)F)CCCN1S(=O)(=O)c1ccc2nc(O)oc2c1 332668016 YPXVTICOZBPZPA-PSASIEDQSA-N 364.345 2.885 0 50 FFAA CC[C@@H](NC(=O)c1cnn2cc(CN(CC)CC)cnc12)c1cccnc1 67457935 IKCWDVLCPZGLNJ-GOSISDBHSA-N 366.469 2.847 0 50 FFAA CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)C2=Cc3ccccc3CC2)cn1 328626782 MCQIYDGHVKRPAV-RBUKOAKNSA-N 373.478 2.640 0 50 FFAA Cc1c[nH]ccc1=NC(=O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328627036 FSCNOTDXUPLFJE-INIZCTEOSA-N 368.485 2.771 0 50 FFAA C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCCC(O)=N1 328835737 SKPTWQHJZKSKJO-MDKPJZGXSA-N 374.481 2.844 0 50 FFAA O=C(Cc1ccc(NC(=O)C2CC2)cc1)NC1CCN(CC2CC2)CC1 173637591 AEKPXNMSLHEFJW-UHFFFAOYSA-N 355.482 2.568 0 50 FFAA O=C(C[C@H]1CCCS(=O)(=O)C1)N1C[C@@H]2CCCCN2c2ccccc21 329307491 PPZIXLCPJBHKLZ-CVEARBPZSA-N 362.495 2.607 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2CCCCCc3ccccc32)cc1 329740848 OGNSXHQCDMZUIF-UHFFFAOYSA-N 358.463 2.968 0 50 FFAA Cc1nnc(-c2ccccc2C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 124642490 NJGBTKVXHQMJSC-ZIAGYGMSSA-N 372.469 2.663 0 50 FFAA CNS(=O)(=O)c1ccc(-c2nccn2-c2cccc3cccnc23)cc1 72172926 BGYSSGYMWSHATK-UHFFFAOYSA-N 364.430 2.996 0 50 FFAA CC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1 72135460 DDEOCCLGGSFNCO-UHFFFAOYSA-N 367.541 2.602 0 50 FFAA Cc1cc(C)cc(CN2CCN(C(=O)CCc3ccncc3)CC2=O)c1 77460045 FUAYFRPTAYWONB-UHFFFAOYSA-N 351.450 2.502 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NCC2CCN(C(=O)C3CC3)CC2)c1 72475555 SEEXKTODZXUFJJ-UHFFFAOYSA-N 372.509 2.769 0 50 FFAA O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1cnc2c(c1)CCCC2 218971856 ZRGHTGBDHIZCHK-MSOLQXFVSA-N 373.478 2.521 0 50 FFAA O=C(O)C1(Oc2ccccc2)CCN(Cc2ccc3nonc3c2)CC1 72425552 GKARAAYXDPZTHG-UHFFFAOYSA-N 353.378 2.721 0 50 FFAA Cc1ccccc1CNC(=O)CN1CCC[C@]2(CCC(=O)N(C(C)C)C2)C1 77471195 NYVWRCJPFWJPFL-QFIPXVFZSA-N 371.525 2.724 0 50 FFAA CCNC(=O)CN1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 71385637 SXMGAMQFUICJGB-QGZVFWFLSA-N 350.462 2.969 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCN(c2ccc(Cl)cn2)CC1 77484858 PDIULRXLFXJGSE-UHFFFAOYSA-N 367.840 2.883 0 50 FFAA O=C(c1cc(F)cc2nc[nH]c12)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 452976945 OXUVUZOQIPAWKH-HNAYVOBHSA-N 357.360 2.642 0 50 FFAA Cc1ccc(OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 31580359 MFPJYUMUDFVUOZ-UHFFFAOYSA-N 354.450 2.522 0 50 FFAA COc1ccc(-n2ccc(CNc3ccc(S(C)(=O)=O)cc3)n2)cc1 159352797 ORKDICBKOOHMSK-UHFFFAOYSA-N 357.435 2.897 0 50 FFAA Cc1ncc2c(c1CNC(=O)c1ccc(N3CCCC3)cc1)CCNC2 72407530 BNSAESHRLGNICY-UHFFFAOYSA-N 350.466 2.566 0 50 FFAA CCCc1nnc(S)n1CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 159934884 JZTXFUZMQAOOHT-CYBMUJFWSA-N 360.483 2.938 0 50 FFAA Cc1nnc(CN2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)o1 72463386 LKVHBWCVWBVXCJ-HXUWFJFHSA-N 354.454 2.783 0 50 FFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(C)cc12 220043445 HXEBEZBMMYVJEO-RTBURBONSA-N 370.449 2.707 0 50 FFAA Cc1cc(=O)cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)o1 220234506 NNNTXMBMSNDWPF-CODVMQSSSA-N 364.401 2.738 0 50 FFAA O=C(O)Cn1ccc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 426361894 FRHQSBJYDSDOQU-INIZCTEOSA-N 373.428 2.836 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCC[C@H](Cn2ccnc2)C1 222921859 GEBXFVZUTGTZNS-CQSZACIVSA-N 355.467 2.898 0 50 FFAA CNc1cc(C)nc(-c2cccc(C(=O)N(C)[C@@H](C)c3ccncn3)c2)n1 426624741 GZQXDQNIFXZKQE-AWEZNQCLSA-N 362.437 3.117 0 50 FFAA O=C1NC[C@@]2(CCCN(C(=O)c3csc(-c4ccccc4)n3)CC2)O1 426545147 VYOQFWBIRPPAKU-SFHVURJKSA-N 357.435 2.915 0 50 FFAA COc1ccc(-c2ccc(C(=O)N(C)Cc3cnccn3)c(O)n2)cc1 426707281 VQJOFPPBTPIAAY-UHFFFAOYSA-N 350.378 2.525 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239235513 WCCWKHLFPRICJB-OKIBFCIISA-N 364.445 2.684 0 50 FFAA CCc1ncc(C(=O)N2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cn1 426359550 LGHUKHQHRAPDDE-ABSDTBQOSA-N 359.470 2.618 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(C)Cc1n[nH]c3c1CCCC3)C2 91563021 YUZCJWIZGPIORC-AWEZNQCLSA-N 355.438 2.507 0 50 FFAA c1cc(-c2ccnc(NCC3(N4CCOCC4)CCCCC3)n2)ccn1 96137852 VRZXIXGZOCCWKB-UHFFFAOYSA-N 353.470 2.986 0 50 FFAA CSc1cccc(CN(C)C(=O)[C@@H](c2cccnc2)N2CCOCC2)c1 97436852 VRZJPOIMKSZCFQ-LJQANCHMSA-N 371.506 2.835 0 50 FFAA Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)s1 95378827 JJWMRVACLFMXCF-OAHLLOKOSA-N 361.515 2.538 0 50 FFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC(Oc2cccnc2)CC1 95365938 IACJODRKQSNTRJ-HXUWFJFHSA-N 366.465 2.684 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cnc(C3CC3)nc2)n1 97495288 QWFSHHWRQJNIQJ-SNVBAGLBSA-N 367.375 2.944 0 50 FFAA Cc1cc(NC(=O)N2CCN(c3nccs3)CC2)n([C@H](C)C2CC2)n1 95509268 VWTBSJJGOYGJDU-CYBMUJFWSA-N 360.487 2.973 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)COc1ccc2c(c1)OCO2 91526810 XXABFTRJEJOTTD-UHFFFAOYSA-N 367.361 2.503 0 50 FFAA CN(CCn1ccc2ccccc21)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 91635416 YDACFOTVOBLMTR-QGZVFWFLSA-N 353.466 2.891 0 50 FFAA COc1ccc2c(c1)OC[C@]1(CO)CN(C3CC(C)(C)NC(C)(C)C3)C[C@H]21 95382024 FXHTVZSSIMXOGI-XMSQKQJNSA-N 374.525 2.775 0 50 FFAA CCn1c(NC(=O)[C@@H]2CCCN2C2CCOCC2)nc2cc(C)ccc21 182489787 FMOISEUEMJQASD-SFHVURJKSA-N 356.470 2.947 0 50 FFAA O=C(CN1CCC[C@H](c2cc(O)ncn2)C1)Nc1ccc(Cl)cc1F 244831524 UFKIYPKKWYUJRP-NSHDSACASA-N 364.808 2.793 0 50 FFAA Cn1cc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)[C@H]2C[C@@H](O)C2)cn1 243885833 ACSHTFSGGLXDNS-GLQYFDAESA-N 353.344 2.681 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCN(c2cccc(Cl)c2)C1 184404383 NLVPGPNKTOQPTI-CYBMUJFWSA-N 356.817 2.783 0 50 FFAA O=C(NCc1ccc2c(c1)OCCCO2)N1CCC[C@@H](Cn2ccnc2)C1 534673789 VIKGRCGHHCBYRM-KRWDZBQOSA-N 370.453 2.666 0 50 FFAA Cc1ccc2cc(CO)c(-c3ccc(C(=O)N4CC[C@@H](N)C4)cc3)nc2c1 534582539 LMKWJODCKBBTGD-LJQANCHMSA-N 361.445 2.876 0 50 FFAA CN(C(=O)Nc1cccc(OCCCc2ccccc2)c1)[C@H]1COC[C@@H]1O 299755059 APYDLNZHBHHVNS-PMACEKPBSA-N 370.449 2.922 0 50 FFAA Cc1cc(-c2cccc(C(=O)N[C@@H]3CNCC[C@H]3O)c2)c2ccccc2n1 299764011 QLOBGCAPSYGBEB-NHCUHLMSSA-N 361.445 2.663 0 50 FFAA CCCn1nc(C)cc1NC(=O)NC1CCN(Cc2cccnc2)CC1 299765930 XNCUZSVOYOAJEG-UHFFFAOYSA-N 356.474 2.783 0 50 FFAA CN1C[C@]2(CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)OC1=O 299786993 RBTYWPWIIRRAFY-KRWDZBQOSA-N 362.817 2.807 0 50 FFAA Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 828147047 MRJSUJFJTSNSSM-UHFFFAOYSA-N 367.394 2.706 0 50 FFAA CC(=O)N1CCN(C(=O)c2ccc(-c3nnc(C)c4ccccc34)cc2)CC1 584900195 WKBSHRYDZDFDHP-UHFFFAOYSA-N 374.444 2.910 0 50 FFAA CC(C)N(C)CCNC(=O)N(Cc1ccncc1)Cc1ccc(O)cc1 584887868 QBGDUFWIUQISKV-UHFFFAOYSA-N 356.470 2.839 0 50 FFAA Cc1nccn1C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 670473692 HPBVFWAIHMZQJH-INIZCTEOSA-N 351.447 2.573 0 50 FFAA O=C(N[C@@H]1CC=CCC1)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952890460 AQZOMCHWSWKCDH-QGZVFWFLSA-N 364.453 2.931 0 50 FFAA COc1cccc2c1N(S(=O)(=O)c1ccc3nn[nH]c3c1)CC[C@@H]2C 952845134 URFQZRAMTXUEMT-NSHDSACASA-N 358.423 2.669 0 50 FFAA O=C1C[C@H](c2ccccn2)NC(=O)N1C[C@@H]1CCCN1c1ccccc1 1875278740 AIOMYVQGDLARTB-FUHWJXTLSA-N 350.422 2.734 0 50 FFAA Cc1ncc(CN2CC(NC(=O)N(C)[C@H]3Cc4ccccc4[C@H]3C)C2)o1 1875323198 BBMUEUHTODFJIS-YJYMSZOUSA-N 354.454 2.537 0 50 FFAA CC(C)n1cc2c(n1)[C@H](O)CC1(CCN(C(=O)c3cccc(O)c3)CC1)O2 1875394495 KFECYLILWBPVDN-MRXNPFEDSA-N 371.437 2.661 0 50 FFAA CCC1(C)CC(C(=O)N(CCCn2cc(-c3cc[nH]n3)nn2)C2CC2)C1 1875338795 MDWXRIRSDBWOTR-UHFFFAOYSA-N 356.474 2.876 0 50 FFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(NC(=O)c3ccccc3)cc2)cn1 1875384323 FDTWTTXWNORIBF-CLOONOSVSA-N 362.433 2.936 0 50 FFAA CN1CCc2c(NS(=O)(=O)c3cc(F)ccc3Cl)cccc2C1=O 1875317311 UIGFJSYPTFYNTL-UHFFFAOYSA-N 368.817 2.908 0 50 FFAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 277936568 USPJQOVSOQDPEZ-OCCSQVGLSA-N 374.890 2.734 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3[nH]nc4c3CCCC4)CC2)cc1 170775204 SQSHFCDOWZLTJH-UHFFFAOYSA-N 366.465 2.632 0 50 FFAA C[C@H](CS(C)(=O)=O)C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 280545753 NKTBITGNIRVTPI-CYBMUJFWSA-N 357.903 2.901 0 50 FFAA CCc1ccc([C@H]2CN(C(=O)NCC3([S@@](C)=O)CCC3)CCO2)cc1 281634829 VKRIEVISQOBELV-CRICUBBOSA-N 364.511 2.633 0 50 FFAA COc1ccccc1-n1cc(CN[C@@H]2CC(=O)N(CC(C)(C)C)C2)cn1 12719067 VZQRHJBPZVLVNG-MRXNPFEDSA-N 356.470 2.618 0 50 FFAA Cc1nc2ncc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc3n2n1 13638748 TVVATGNLGGVMGO-UHFFFAOYSA-N 362.368 2.611 0 50 FFAA O=C1C[C@H](NCc2cccc3c2OCO3)CN1Cc1ccccc1Cl 14961876 WBNGWTLFNATIIH-HNNXBMFYSA-N 358.825 2.959 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)Cc3cc(C)no3)nc2)n1 15076660 IACIZTDNFPWJAV-UHFFFAOYSA-N 371.466 2.963 0 50 FFAA Nc1cc(=O)[nH]c(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1 15587306 JDORLGUVYZDPNP-UHFFFAOYSA-N 364.515 2.938 0 50 FFAA Cc1nc(-c2cc(=O)[nH]c(-c3ccc(CN4CCOCC4)cc3)n2)cs1 19224109 JOYBMOXKGAQUTA-UHFFFAOYSA-N 368.462 2.701 0 50 FFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@@H]2CCN(C)C2=O)n1 1857675191 NIKQIBYAPATGSS-QGZVFWFLSA-N 353.401 2.895 0 50 FFAA O=C(c1ccc(Cn2ccnc2-c2cnn3cccnc23)cc1)N1CCCC1 1857704113 DTYSTHNRVXHTHH-UHFFFAOYSA-N 372.432 2.877 0 50 FFAA Cc1cc(Br)ccc1NS(=O)(=O)c1ccc2[nH]nnc2c1 225797039 IUIWFPUGCSKGJR-UHFFFAOYSA-N 367.228 2.830 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cccc(C(=O)O)c1 236829992 SSVWUIVDJINSDX-LJQANCHMSA-N 364.401 2.965 0 50 FFAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1 238057342 IZUCLAAKKWBBRH-SFHVURJKSA-N 353.418 2.788 0 50 FFAA C[C@@H]1CCN(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)c2ccccc21 2325730277 AZPNKYRBWAPOMD-CRAIPNDOSA-N 352.434 2.812 0 50 FFAA Cn1cc(-c2ncc(C(=O)N3C[C@H](CCN)c4ccccc43)s2)cn1 2325768864 ZDOFELXYCOZZIR-LBPRGKRZSA-N 353.451 2.636 0 50 FFAA Cc1nccn1CC(=O)NCc1ccc(N2CCCc3ccccc32)nc1 2325803710 WUONMUBCGNKJDO-UHFFFAOYSA-N 361.449 2.987 0 50 FFAA O=C(NC[C@@H]1CCn2cnnc2C1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 2325816608 HXTMZQUITOINQL-MDASCCDHSA-N 361.449 2.849 0 50 FFAA Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1C 2325842778 IHYPXUHJOQLBAM-OAHLLOKOSA-N 354.454 2.794 0 50 FFAA CC(C)OCc1nc(C2COCCOC2)n(-c2ccc(F)c(F)c2)n1 2325848131 ADTMFMGYKTTXLV-UHFFFAOYSA-N 353.369 2.601 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@](O)(c3ccccc3)C2)c1 1453497240 KAQSAKKFFFBCCD-OAQYLSRUSA-N 350.418 2.935 0 50 FFAA COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Br 1079318 NSGIPFJZYJOLPL-UHFFFAOYSA-N 369.240 2.855 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 1133534 DPDLTJLZEPMHPO-UHFFFAOYSA-N 358.341 2.509 0 50 FFAA CCOC(=O)c1sc(NC(=O)[C@@H](OC(C)=O)c2ccccc2)nc1C 1170543 BQUSFFCEEQOPKS-ZDUSSCGKSA-N 362.407 2.871 0 50 FFAA CCCN1CCC[C@]2(CCCN2S(=O)(=O)c2c(F)cccc2F)C1=O 2356166261 ZNEDBMCUIYGVCS-KRWDZBQOSA-N 372.437 2.521 0 50 FFAA COc1cc(-c2cccc(C(=O)NCc3cnc(C)cn3)c2)c(=N)[nH]c1C 2356168793 NWFXKRNWJCCRBY-UHFFFAOYSA-N 363.421 2.507 0 50 FFAA Cc1nc(S)sc1CC(=O)NCc1cccc2c1OCCCO2 134671869 NLVHQTPZLONGOL-UHFFFAOYSA-N 350.465 2.760 0 50 FFAA C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 116216571 CZZZKICVSLQZKM-JKSUJKDBSA-N 359.514 2.879 0 50 FFAA COc1cc(OC)c(OC)cc1CN[C@H]1CCCN(Cc2ccccn2)C1 20994615 VSDOSLBSQWVDPZ-SFHVURJKSA-N 371.481 2.862 0 50 FFAA O=C(CC1=CSC2=NCCN12)N(Cc1ccsc1)C[C@@H]1CCCO1 102627896 SMZSIAJKAVNMSY-HNNXBMFYSA-N 363.508 2.906 0 50 FFAA O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 20458174 QJPHEQCYWFAZEV-UHFFFAOYSA-N 363.461 2.771 0 50 FFAA Cc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl 54363191 URURNUCVQDBVOZ-VIFPVBQESA-N 368.680 2.868 0 50 FFAA Cc1nc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(=O)[nH]c1C 136180499 QLTWQHXVJOPWKX-UHFFFAOYSA-N 366.396 2.937 0 50 FFAA Cc1nsc(NC(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 63844779 HYWOMWYYFMNSPC-GFCCVEGCSA-N 371.426 2.703 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCc1cccc(F)c1F 67696266 ZYPQQTXFEOMNCT-NRFANRHFSA-N 374.431 2.651 0 50 FFAA CCCN1CCCN(C(=O)c2cc(CN(C)Cc3ccccc3)on2)CC1 67872800 ZLPUTQUPVYQUGJ-UHFFFAOYSA-N 370.497 2.865 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)o1 20918955 YVPJQJQSUAEMQY-INIZCTEOSA-N 350.484 2.556 0 50 FFAA O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)nc2sccn12 20508760 ZIVABBSFZJQHCK-QPJJXVBHSA-N 366.490 2.587 0 50 FFAA C[C@@H](C(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1)N1CCCC1=O 67674024 MFOGYVSADJQNIT-HNNXBMFYSA-N 366.465 2.794 0 50 FFAA CC(C)NC(=O)C(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67515500 YZEXOONXCRIRHN-UHFFFAOYSA-N 362.433 2.639 0 50 FFAA O=C1COc2ccccc2N1CCc1nc(C2CC2)nn1-c1ccccn1 65431147 UHYFPPSOUMBRHM-UHFFFAOYSA-N 361.405 2.508 0 50 FFAA O=C(CCN1CCN(c2ccccc2)CC1)N1CC2(CCC2)[C@H]1C1CC1 427597184 ROUGKJMYMOZUQQ-OAQYLSRUSA-N 353.510 2.990 0 50 FFAA Cc1nccn1-c1ccccc1CNc1nccc(N2CCC[C@H](O)C2)n1 65409282 DUTKKGRXFOZWBX-KRWDZBQOSA-N 364.453 2.544 0 50 FFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)O)C(C)C)cc1 4866134 ICNWLOCYNRZUJT-QGZVFWFLSA-N 370.405 2.787 0 50 FFAA biogenic Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cccc3cc[nH]c23)CC(=O)N1C 328638444 WJMZJNJFYCDIJF-OXQOHEQNSA-N 351.454 2.580 0 50 FFAA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(S(C)(=O)=O)cc1 154347840 ITCOIHGZBQTVQS-AWEZNQCLSA-N 358.463 2.965 0 50 FFAA CCc1nc(CCNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cs1 124946316 ZSPVZTQEULEAOD-UHFFFAOYSA-N 365.524 2.609 0 50 FFAA CC(C)OC[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CCO1 364202892 NTOHNJBZQYRDIB-CYBMUJFWSA-N 360.376 2.770 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O 72408441 LFDNHZYBJBUWJO-UHFFFAOYSA-N 374.485 2.906 0 50 FFAA C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c2nccn21 333427597 SZVPOVILUUBYLP-GDAAHCPNSA-N 365.481 2.805 0 50 FFAA Cc1nc(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1 333512734 MHXXOIALXKGTCU-XSLAGTTESA-N 368.481 2.903 0 50 FFAA COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1Cl 13647396 FGRHAPCZTCKZRV-UHFFFAOYSA-N 354.859 2.763 0 50 FFAA Cc1csc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1 219694311 ZTFDGSHIWDTMHB-HZPDHXFCSA-N 367.492 2.709 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)CNC(=O)c2ccccc2)CC1 72424975 IBUKKACTFWVBKE-UHFFFAOYSA-N 364.445 2.566 0 50 FFAA Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C2CC2)C1 378355371 KHNNPJPABMNDBI-QGZVFWFLSA-N 357.454 2.731 0 50 FFAA C[C@H](O)CN1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)C[C@@H]1C 241139430 JQVWJKPHDILHLR-QZNHQWIBSA-N 363.477 2.546 0 50 FFAA CC(C)[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1nccn1C 77542074 PZTGOELGSSMELX-KRWDZBQOSA-N 353.426 2.916 0 50 FFAA CCc1c(C)nn(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1C 221269592 OYTBJVZQIRMDFB-UHFFFAOYSA-N 367.453 2.552 0 50 FFAA COCCN(Cc1nccs1)C(=O)[C@@H](C)Sc1nc(C)cc(C)n1 426529190 CGQFZZKNUDNMMH-CYBMUJFWSA-N 366.512 2.706 0 50 FFAA CCn1nc(CO)c2c1CCN(C(=O)N[C@@H](C)c1cc(F)cc(F)c1)C2 426550694 XOGLBVYYECQQDW-NSHDSACASA-N 364.396 2.502 0 50 FFAA COc1ccc2c(C)c(C(=O)N3CCc4nc(C)nc(O)c4CC3)oc2c1 426395414 RLOQKZLPIWNOCS-UHFFFAOYSA-N 367.405 2.795 0 50 FFAA CN(C)[C@H](C(=O)N1CCCN(Cc2ccncc2)CC1)c1ccc(F)cc1 95353926 XRLGGPOZIJTWNG-FQEVSTJZSA-N 370.472 2.558 0 50 FFAA O=C(NCc1csc2c1CCCC2)[C@@H](c1cccnc1)N1CCOCC1 95364497 LKFJMEUZGGFSGN-LJQANCHMSA-N 371.506 2.712 0 50 FFAA COc1ccc(-n2ncc([C@@H](C)NC(=O)c3ccc(CO)o3)c2C)cc1 91320146 KIFKJRYLZPUKCI-GFCCVEGCSA-N 355.394 2.766 0 50 FFAA COC[C@H](C)NC(=O)c1ccc(-c2ccc(CC(=O)N(C)C)cc2)cc1 426662580 YUXGLOXMDLDFSY-HNNXBMFYSA-N 354.450 2.749 0 50 FFAA Cc1noc(C)c1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 91325504 GDVCIFPFRUTKLZ-UHFFFAOYSA-N 365.437 2.951 0 50 FFAA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 95518276 MDAVVPONGJFRMA-MRXNPFEDSA-N 367.453 2.734 0 50 FFAA CCN1CCC(C(=O)N(CC)CCc2nc3ccc(OC)cc3[nH]2)CC1 97307061 NNPPXQUPDOBNGH-UHFFFAOYSA-N 358.486 2.694 0 50 FFAA Cc1nonc1OCCNC1CCN(c2nc3ccccc3s2)CC1 95508517 HQQOSCKTMYKPRA-UHFFFAOYSA-N 359.455 2.625 0 50 FFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)cc1 244718966 LUJVKDIVWJMRBA-WDYCEAGBSA-N 372.490 2.827 0 50 FFAA OCCCN(Cc1ccc(Cl)cc1)Cc1noc([C@H]2CCCO2)n1 244716162 LJPQCCIYHLRHTI-OAHLLOKOSA-N 351.834 2.959 0 50 FFAA CC(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 298675041 DUGPZJCEKNMPPP-ZIAGYGMSSA-N 368.437 2.906 0 50 FFAA COc1ccc2oc(CN[C@@H](C)Cn3cnc4ccccc4c3=O)nc2c1 534660497 WFCZMLSMNDLENO-ZDUSSCGKSA-N 364.405 2.725 0 50 FFAA O=C(Nc1ccccc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 263615845 FMRLGAOBVPKFRC-UHFFFAOYSA-N 360.417 2.882 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)[C@H]2CCCN(Cc3ccco3)C2)no1 55042387 HRKDMWBWCHOOFM-HNNXBMFYSA-N 360.458 2.699 0 50 FFAA CN1CCC(O)(Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)CC1 584899885 WZCAMTHWKLCPGM-UHFFFAOYSA-N 373.453 2.721 0 50 FFAA COc1ccccc1-c1nnc(COc2ccc3c(c2)CCNC3=O)o1 952846297 WYOOVEDKMKQGDG-UHFFFAOYSA-N 351.362 2.610 0 50 FFAA O=C(O)[C@H](c1ccc(F)cc1Cl)N1CCO[C@@H](C2CCOCC2)C1 1875303785 MPHPKBGBCFVNIZ-CVEARBPZSA-N 357.809 2.732 0 50 FFAA CCC(=O)N[C@H](C(=O)N1CCC2(CCCCN2C)CC1)c1ccccc1 1875320828 MLBRWATWOFENLK-IBGZPJMESA-N 357.498 2.731 0 50 FFAA O=C(N=[S@]1(=O)CCC[C@]2(CCCN2)C1)c1cnn(C2CCCC2)c1 1875393038 DMUGAJHTIPYGRX-OSPHWJPCSA-N 350.488 2.522 0 50 FFAA Cc1nc(C)n(CCCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)n1 952988727 OOWMRRQXJUQVCR-IBGZPJMESA-N 373.476 2.768 0 50 FFAA O=C(C[C@H](c1ccccc1)c1ccco1)N1CCOC2(CCNCC2)C1 952973991 ZFLRZAGMSMZYDW-GOSISDBHSA-N 354.450 2.783 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3nc4ccccc4o3)C2)ccn1 886050568 ZNBYSWAOLBVBBB-QGZVFWFLSA-N 352.438 2.938 0 50 FFAA Cc1ccc(C(=O)NCCNCc2sccc2C2OCCO2)cc1F 888097118 BFAGTFVLJSGRTM-UHFFFAOYSA-N 364.442 2.761 0 50 FFAA CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cc1 1565514520 XSVBMIQCNNMNSW-ROUUACIJSA-N 373.522 2.806 0 50 FFAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)Cc1ccc(CO)o1 275467010 LDBXVKKDZBRUMW-KBPBESRZSA-N 353.463 2.581 0 50 FFAA O=C(NS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCCN1C1CCCC1 170609459 NXKKUYSWESKCNN-CQSZACIVSA-N 374.865 2.691 0 50 FFAA NC(=O)c1ccccc1CC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 192050038 PUKPDCBHZNIYLU-HNNXBMFYSA-N 371.868 2.767 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@H]2CCn2ccnc2C)c1C 1506414244 PUEIWNZDYYJBFK-SFHVURJKSA-N 371.485 2.679 0 50 FFAA CCc1nn(C)c(NC(=O)[C@H](CC)N2Cc3ccccc3C2=O)c1CC 1506406518 FSKQPQUNKHYFPE-KRWDZBQOSA-N 354.454 2.918 0 50 FFAA O=C(O)c1coc(CN2CCCN(c3nc4ccccc4s3)CC2)n1 1529172027 GDFXCPWTJAXAIB-UHFFFAOYSA-N 358.423 2.695 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(c3ncc(F)cn3)CC1)OCC2 1704339465 HNTXFMPRQOWCKJ-UHFFFAOYSA-N 359.401 2.701 0 50 FFAA CCN1CCC[C@]2(CO)CCN(C(=O)CCCc3cccs3)C[C@@H]12 1704307170 VBKVKDLYMCMNDY-IEBWSBKVSA-N 350.528 2.766 0 50 FFAA CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1C[C@@H](C(C)C)OC2 2355662 OSCOUEYRVLSPSU-QRGHLMKCSA-N 367.423 2.601 0 50 FFAA Cc1nc(C(F)(F)F)ncc1CN1CCC(c2ccn(C)c(=O)c2)CC1 1772811543 VMQICRUBKGIQRD-UHFFFAOYSA-N 366.387 2.882 0 50 FFAA COc1cccc(-c2ncc(CN3C[C@@H]4COCC[C@]4(CO)C3)s2)c1 1772704754 LDTOHUJAJVVSMZ-DNVCBOLYSA-N 360.479 2.650 0 50 FFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCC[C@H]1CCCN1C 12434427 FDYABKZKWRCKLL-QGZVFWFLSA-N 371.529 2.780 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)c(OC)c1 12460527 JNUFMTPWBFFKCE-LBPRGKRZSA-N 358.369 2.835 0 50 FFAA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCCC2 16606220 SDZUDSRDVIEZQZ-UHFFFAOYSA-N 374.485 2.922 0 50 FFAA O=c1cc(CSc2ccccn2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12 18222971 NYONZGHSDZNFBR-UHFFFAOYSA-N 350.403 2.694 0 50 FFAA COc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 19789449 DTHHLIHNAMJJEY-OAHLLOKOSA-N 357.387 2.818 0 50 FFAA CCN1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 19831490 IKKUOONEDWWQML-UHFFFAOYSA-N 367.896 2.855 0 50 FFAA CCOC(=O)CN1CCC[C@H]1c1ccc(C(=O)NCc2ccccn2)s1 19852043 KNHZAAPUQSSALS-HNNXBMFYSA-N 373.478 2.773 0 50 FFAA Cc1nc2ccccc2n1CCNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857532574 PAGSFOOONYEXMV-NEPJUHHUSA-N 353.426 2.520 0 50 FFAA COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1Oc1ccc(CN)cc1F 1857686070 GUVZANHSISPERC-HNNXBMFYSA-N 374.412 2.994 0 50 FFAA COc1ccc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)c(OC)c1C 1857709395 VNQYBOYXDXYTJL-AWEZNQCLSA-N 355.438 2.887 0 50 FFAA Cc1cc(C)n2[nH]c(=NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)cc2n1 1875250106 YAHFQEGIBWPETD-UHFFFAOYSA-N 351.385 2.878 0 50 FFAA Cc1cc(C)c2nc(C)cc(C(=O)N3C[C@@H]4CCC[C@@H](C3)C(=O)N4)c2c1 225402358 QKCJJBUWOBFKBS-HOTGVXAUSA-N 351.450 2.901 0 50 FFAA COc1cc2c(cc1OC)CN(C(=O)Cc1nn(C)c3ccccc13)CC2 421451590 LJVIJWOLMWQHTQ-UHFFFAOYSA-N 365.433 2.718 0 50 FFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2=O)c1 237995873 SYRVUPCVJSRDLK-QGZVFWFLSA-N 358.438 2.669 0 50 FFAA O=C(NCc1cccc(-n2cncn2)c1)N1CCC(OC2CCCC2)CC1 265465420 ZIFNSDWRGFTASD-UHFFFAOYSA-N 369.469 2.901 0 50 FFAA O=C(C(=O)N1CCOCC1)c1cn(Cc2ccccc2F)c2ccccc12 6659329 PTCJKIRNKUDJOT-UHFFFAOYSA-N 366.392 2.870 0 50 FFAA O=C1Nc2ccccc2CC[C@@H]1Sc1nnnn1-c1ccc(F)cc1 32094676 NPKUWPSOTONKSE-HNNXBMFYSA-N 355.398 2.847 0 50 FFAA O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@H]2c3[nH]cnc3CC[C@@H]21 2325781305 BQGDYLYOBLIGJB-RDJZCZTQSA-N 358.486 2.517 0 50 FFAA CCCN(CCNC(=O)CC(C)(C)C)C(=O)[C@H]1CC[C@@H]2CCCCN21 2325793661 CBVRJUKTWSQHHD-DLBZAZTESA-N 351.535 2.794 0 50 FFAA Cc1cnc2n1CCC[C@H]2C(=O)NC[C@@H](C)Cn1ccc(C(F)(F)F)n1 2325796287 GMUVUDCDKSZTHK-DGCLKSJQSA-N 369.391 2.737 0 50 FFAA O=C(O)Cc1cccc2c1CN(C(=O)c1cncn1-c1ccccc1)CC2 2325849481 QOHLXDSDWSIJRA-UHFFFAOYSA-N 361.401 2.698 0 50 FFAA Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c(C)c1 861993 XDQWNQIDMQCBQJ-CRAIPNDOSA-N 354.406 2.876 0 50 FFAA Cc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc(O)cc1=O 979635 OBKFDNIGHPMVNJ-UHFFFAOYSA-N 373.478 2.788 0 50 FFAA CCOC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 982698 LQWKMHHYJWTLOQ-AWEZNQCLSA-N 363.435 2.668 0 50 FFAA O=C(NCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 991005 GIWIPMJILGGPMV-UHFFFAOYSA-N 366.414 2.523 0 50 FFAA Cc1ccc(OCC(=O)Nc2ccccc2C(N)=O)c(Br)c1 1206516 WHNDBSJCGFGBGC-UHFFFAOYSA-N 363.211 2.874 0 50 FFAA COc1cccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(C)(=O)=O)c1 1219424 CWHFVBWVTYUXIC-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1 2835579 ZGOCYGHJSSYUHC-UHFFFAOYSA-N 359.480 2.902 0 50 FFAA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2)NC(=O)N1 4066263 AYAVTELKONNURK-SFHVURJKSA-N 352.390 2.937 0 50 FFAA CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Cl)ccc21 4556199 CFRDCBVHYLDYJX-SFHVURJKSA-N 359.765 2.506 0 50 FFAA CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(F)cc2)n1 4839004 UVFJXCPKQGKSCC-UHFFFAOYSA-N 357.794 2.705 0 50 FFAA O=C1C[C@@H](N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1 100365997 DCTWXIXPSIUSDJ-GOSISDBHSA-N 369.852 2.794 0 50 FFAA CCOc1cc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)ccc1OC 10337780 FIMGQXZFTPLAFJ-UHFFFAOYSA-N 371.372 2.525 0 50 FFAA Cc1cc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc(C)c1Cl 283002499 MJJLFBZOQXGJPN-UHFFFAOYSA-N 366.878 2.745 0 50 FFAA COc1cc2c(cc1CNCC(=O)Nc1ccc(C)cc1C)OCCO2 65491042 OCYQJPQDDQNISA-UHFFFAOYSA-N 356.422 2.812 0 50 FFAA COc1ccc(-c2cn(C[C@H]3CCCN(c4ncccn4)C3)nn2)cc1 63855358 LYQUVEMGATZKIZ-HNNXBMFYSA-N 350.426 2.660 0 50 FFAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNCc1ccc(CO)cc1 67726289 PAMWDDHHIMIGLD-JOCHJYFZSA-N 374.525 2.592 0 50 FFAA NC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cn3ccccc3n2)s1 23620135 ZXPZSWGAKPRWDK-AWEZNQCLSA-N 368.462 2.791 0 50 FFAA CNC(=O)c1cccc(CCNS(=O)(=O)c2cc(C)c(Cl)s2)c1 252508072 XBWXCFJVKUODRN-UHFFFAOYSA-N 372.899 2.591 0 50 FFAA CN(C)c1ccc(N[C@@H]2CCCN(C(=O)N=c3cc[nH]cc3F)CC2)cn1 328629763 IQHYCFPYMJPKMO-CQSZACIVSA-N 372.448 2.602 0 50 FFAA Cc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)nc3)CC2)c(C)n1 328648826 UTCHDCLQQZKOLQ-MRXNPFEDSA-N 368.485 2.661 0 50 FFAA Cc1c(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c2ccccc2n1C 436539686 MATRHBOWKPYHTK-UHFFFAOYSA-N 360.391 2.691 0 50 FFAA CCC(CC)C(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1 72437159 FZWRETGPWCJJQI-UHFFFAOYSA-N 359.518 2.860 0 50 FFAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 237427017 MHMIBOTUYDMVLW-AAEUAGOBSA-N 350.406 2.594 0 50 FFAA Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@@H](N2CCCC2)C1 363372834 WIOWBBJSKKNHPG-QGZVFWFLSA-N 358.486 2.789 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)NC1CCN([C@H]2CCOC2)CC1 363711426 QQXDYVFBEUIAPV-HNNXBMFYSA-N 356.388 2.617 0 50 FFAA CCN1CCC(CNc2cc(C(C)C)nc3cc(C)nn23)(N(C)C)CC1 72428832 LCMRZGMXVBJJNA-UHFFFAOYSA-N 358.534 2.989 0 50 FFAA Fc1ccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cn1 365031651 USNBONOBTXBKQO-UHFFFAOYSA-N 361.368 2.803 0 50 FFAA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 332469389 RJKXJEOVZSLGHU-HZPDHXFCSA-N 368.499 2.724 0 50 FFAA O=C(O)C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 238199595 MKSIBFKINDFJBE-GFCCVEGCSA-N 366.826 2.779 0 50 FFAA O=C([C@@H]1CCCN1Cc1ccccc1OC1CCCC1)N1CCOCC1 216537107 YVBJGMSNJGOPHP-IBGZPJMESA-N 358.482 2.831 0 50 FFAA CSCCCN1C(=O)CC[C@H]2CN(c3ncnc4[nH]ccc34)CC[C@H]21 72473799 BDBVLVUJLUKJIV-DZGCQCFKSA-N 359.499 2.528 0 50 FFAA COc1ccc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cc1OC 262410078 NWOQLXFVYYTQDM-QGZVFWFLSA-N 369.417 2.675 0 50 FFAA Cc1ccsc1CCNC(=O)c1cn(Cc2c(F)cccc2F)nn1 72153294 LGALNTNXXWIBOE-UHFFFAOYSA-N 362.405 2.947 0 50 FFAA COc1ccc(F)c(C(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)c1F 77378081 BBGJVWQUCZSHHR-UHFFFAOYSA-N 374.387 2.766 0 50 FFAA CN(C(=O)c1ccc2[nH]nnc2c1)[C@@H]1CCCN(CCc2ccccc2)C1 72135486 KJOJJHGDTCOZAA-GOSISDBHSA-N 363.465 2.737 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(Cl)s1 454222992 JPBIPFDWWSAPNR-JTQLQIEISA-N 350.893 2.510 0 50 FFAA Cc1cccc(C(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)n2)c1 72117566 KAEZJRWCFCIDFV-UHFFFAOYSA-N 364.453 2.738 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC(OCc2cccnc2)CC1 77358329 IEMVMTYBFVYIGO-UHFFFAOYSA-N 368.481 2.824 0 50 FFAA O=C1CN(Cc2cnc(-c3ccco3)nc2)CCN1Cc1cccc(F)c1 72158809 WMFCEFIZZDNTFN-UHFFFAOYSA-N 366.396 2.720 0 50 FFAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2c3ccccc3O[C@@H]2C)n1 288715584 DQHBCINZLDTCJO-CXAGYDPISA-N 364.409 2.923 0 50 FFAA C[C@H](C(=O)NCc1ccc(-n2cccn2)cc1)N1CCc2ccccc2C1 220395127 YZGINRCZBZSCGJ-QGZVFWFLSA-N 360.461 2.935 0 50 FFAA CN(C)c1ccc(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 223202197 OAIKGDGYRBVDIA-HXUWFJFHSA-N 353.466 2.898 0 50 FFAA CN1CC[C@@H](CNC(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)C1 426705604 GAXQZOPLNFTVKD-IBGZPJMESA-N 370.472 2.927 0 50 FFAA CCC[C@@H](NC(=O)Nc1cc2c(cc1C)n(C)c(=O)n2C)c1nccn1C 426563495 XHDGFPZPYGLABY-CYBMUJFWSA-N 370.457 2.582 0 50 FFAA CN(C)c1nc(CNC2CCN(c3ncnc4ccsc34)CC2)cs1 96162339 IMOMARCZPNCCEI-UHFFFAOYSA-N 374.539 2.972 0 50 FFAA Cc1cccc(C)c1OC1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 95381396 GDSRQTLIUXEXAF-UHFFFAOYSA-N 352.434 2.774 0 50 FFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CCCc1c[nH]c3ccccc13)C2 92098866 FTOJHZATAWKFAD-FUHWJXTLSA-N 353.466 2.960 0 50 FFAA O=C1CCC2(CCN(Cc3ccc(F)c(Cl)c3)CC2)CN1CCO 91390831 UOCCKGHRZWDIJZ-UHFFFAOYSA-N 354.853 2.676 0 50 FFAA CSc1nccc(N2CCC(NC[C@H]3COc4ccccc4O3)CC2)n1 95503241 QNHIFIHMRZDJHK-HNNXBMFYSA-N 372.494 2.597 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 237627219 HSGMGIGYKZMFRH-WCQYABFASA-N 352.360 2.843 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 91574988 DHLLBCCDMGOBOW-FUHWJXTLSA-N 365.477 2.960 0 50 FFAA Cc1cccc(=O)n1CCCNC(=O)CN1CCC(c2ccccc2)CC1 95530994 RJWSGFAWLFIIPW-UHFFFAOYSA-N 367.493 2.543 0 50 FFAA O=C(CCc1cccs1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91636505 JFLRPBOOPVSDDG-IAGOWNOFSA-N 350.528 2.624 0 50 FFAA C[C@]1(c2ccccc2)CCCN(Cc2cnc(N3CCOCC3)nc2)C1 91690395 ABMLIDRJPYAPFE-NRFANRHFSA-N 352.482 2.867 0 50 FFAA O=C(NC1CCN(c2ccccc2)CC1)C1CCN(C(=O)C2CCC2)CC1 91858169 LFWQBCCKXVZWGF-UHFFFAOYSA-N 369.509 2.810 0 50 FFAA O=C(c1ccc2ncsc2c1)N1CCN(Cc2ccoc2)[C@H](CCO)C1 97772753 HUMKKJYULRKPDO-MRXNPFEDSA-N 371.462 2.598 0 50 FFAA COc1cc(C)cc([C@H](C(=O)O)N2CCN(C3CCCC3)CC2)c1OC 95370400 MAOFVDCNIJWNMA-GOSISDBHSA-N 362.470 2.698 0 50 FFAA C[C@H](C(=O)NC1CCCC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 183189046 PQTHXDWSOOFFBR-GFCCVEGCSA-N 358.408 2.986 0 50 FFAA O=C(NCc1nnc2ccccn12)N(Cc1ccsc1)C[C@H]1CCCO1 534653708 LQCIZFKRNCSQLF-OAHLLOKOSA-N 371.466 2.682 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)NCc2nc(-c3ccncc3)n[nH]2)c(C)s1 534651040 NWIYHUIEMQPDAI-JTQLQIEISA-N 371.470 2.843 0 50 FFAA COCCc1noc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)n1 299772526 AQITZQSUZATRAK-JTQLQIEISA-N 357.332 2.697 0 50 FFAA COc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1C(=O)N(C)C 824699801 BHDWYEOSNVWNHN-OAHLLOKOSA-N 374.437 2.602 0 50 FFAA CN1C[C@H](C(=O)NC2CCN(Cc3cccs3)CC2)Oc2ccccc21 827763441 LYNBROPOEDMIEB-LJQANCHMSA-N 371.506 2.726 0 50 FFAA CC(C)(C)OC(=O)N1CCn2c(Cc3ccccn3)nnc2CC1(C)C 865215109 JJYFLCGLAZDECK-UHFFFAOYSA-N 357.458 2.836 0 50 FFAA CC[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)N1Cc2ccccc2C1=O 670442530 WXRSELKIVAZSDA-IBGZPJMESA-N 366.465 2.729 0 50 FFAA CCCc1nc(C)c(CNS(=O)(=O)c2cccc(NC(C)=O)c2)s1 670448168 XSIBWEWUNSIQCR-UHFFFAOYSA-N 367.496 2.841 0 50 FFAA N[C@@]1(c2cccc(F)c2)CCN(C(=O)[C@@H](O)c2ccc(C3CC3)cc2)C1 1875405930 RUWYHJPRUKEUEM-FPOVZHCZSA-N 354.425 2.823 0 50 FFAA COCc1cc(C2CN(C[C@H](O)Cc3ccc4ccccc4c3)C2)no1 952852698 JALGSHZRLCXMEU-LJQANCHMSA-N 352.434 2.977 0 50 FFAA CCOc1cc(CN=c2cc[nH]c(C(=O)N(C)C)c2)c2c(c1)C[C@@H](C)O2 952961979 VIQRYDMWOKJANX-CYBMUJFWSA-N 355.438 2.540 0 50 FFAA Cc1ccc2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c(C)nc2c1 1875269828 OSQOAFKGYCBTHJ-UHFFFAOYSA-N 365.355 2.602 0 50 FFAA C=CC(=O)NC1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCC1 1875386077 IMBYPQSMLLPNOJ-UHFFFAOYSA-N 359.813 2.950 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)CC1 1875362988 BWAAMNIQJLDSHP-FQEVSTJZSA-N 362.420 2.956 0 50 FFAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 952972216 DYEIIEGYODLWRZ-AWEZNQCLSA-N 371.437 2.601 0 50 FFAA Cc1cccc(CC(=O)NCC2CCN(C(=O)c3ncoc3C)CC2)c1 952989624 NTXGUAKLSSUPKT-UHFFFAOYSA-N 355.438 2.503 0 50 FFAA O=C(CC[C@@H]1C(=O)Nc2ccccc21)NC[C@H]1CCCN2CCCC[C@@H]12 952963961 NQPLYMBDQRIUDK-AYBZRNKSSA-N 355.482 2.883 0 50 FFAA Cn1cc([C@@H]2[C@@H](CNc3nnc(C(C)(C)C)o3)CC(=O)N2C(C)(C)C)cn1 882556028 KRISYVFFDNWIKG-DOMZBBRYSA-N 374.489 2.901 0 50 FFAA Cc1ccnc(O)c1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 886048159 CRCYAATVXQCVHS-AWEZNQCLSA-N 372.494 2.679 0 50 FFAA COc1ccccc1CCC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 888103404 YIDZESFJHUXVCJ-SJORKVTESA-N 357.454 2.956 0 50 FFAA CNC(=O)CC1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 170609604 BGPRTOVATISKMF-UHFFFAOYSA-N 359.257 2.956 0 50 FFAA Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C 170617158 SAUADGGNMIFSLN-UHFFFAOYSA-N 358.803 2.806 0 50 FFAA CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 282325937 YTLVBFDECHXQBU-UAGQMJEPSA-N 365.495 2.636 0 50 FFAA COc1ccc2[nH]c([C@@H](C)NS(=O)(=O)c3cc(F)cc(F)c3)nc2c1 225548198 PYCFPVVAFKJSFR-SECBINFHSA-N 367.377 2.889 0 50 FFAA C[C@H]1C(=O)N(C)CCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 188902184 UFHDITUULUFFLT-LBPRGKRZSA-N 373.482 2.558 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)CC34CC5CC(CC(C5)C3)C4)C[C@H]2O)n[nH]1 1529119604 KMCAKQNZDHLCPD-ZRPRPITBSA-N 357.498 2.686 0 50 FFAA O=C(c1cccn1C1CC1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529110787 OVQSPRFJSAYSAN-UYAOXDASSA-N 351.450 2.721 0 50 FFAA CC(C)Cc1ccc(C(=O)N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)cc1 1704338742 YIVQVYDESSNMJO-NQIIRXRSSA-N 359.466 2.963 0 50 FFAA Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 12404322 AUTKNXSYVUVOEJ-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA C[C@@H]1CCCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)C1 13669261 OUSGJWPPVSGYPD-CQSZACIVSA-N 356.463 2.630 0 50 FFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 13745581 RDUBSSXBQLLFQA-UHFFFAOYSA-N 363.439 2.656 0 50 FFAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)c2ccoc2)CC1=O 14741539 LCAKVZHDUBRYAC-IBGZPJMESA-N 370.449 2.805 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 169804623 YELVIGDJVYDDQK-GOEBONIOSA-N 361.442 2.611 0 50 FFAA COCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(C(C)C)cc3)C[C@]23CC[C@H]1O3 1857716135 YDLSNVFDULFHQA-GPQLQYNLSA-N 372.509 2.552 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(O)nc2ccc(Br)cc12 237487181 SUTZBZCRJAXCJR-KOLCDFICSA-N 364.243 2.655 0 50 FFAA COc1ccccc1OCCC(=O)NC[C@](C)(CO)Cc1ccccc1 241923331 UFCMYVHRLFPELL-OAQYLSRUSA-N 357.450 2.822 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@H](C)c2ccco2)c1 14964369 KDDXVBPCSPWOKU-CQSZACIVSA-N 373.453 2.727 0 50 FFAA COc1ccccc1[C@H](C)CC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 264366030 BWXKHQJIKNYRRZ-MOPGFXCFSA-N 373.541 2.817 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2 1704307427 YXNZQYSLAUBHAB-GOSISDBHSA-N 361.442 2.593 0 50 FFAA C[C@@H]1Cc2cc(S(=O)(=O)NCc3nc(C(C)(C)C)co3)ccc2O1 907946372 NKYYYISZQZIZED-LLVKDONJSA-N 350.440 2.774 0 50 FFAA COCc1cc(Cl)cc(S(=O)(=O)NC(=O)Cc2cccc(F)c2)c1 811146848 SKUSCEYTLABTCO-UHFFFAOYSA-N 371.817 2.673 0 50 FFAA CN(C)CCOc1ccc(NCc2cnc(N(C)C)n2C)cc1Cl 840904826 DHKWKGKNSCUKPG-UHFFFAOYSA-N 351.882 2.692 0 50 FFAA FC(F)O[C@@H]1CCC[C@@H](N=c2ccc3nnc(C(F)(F)F)n3[nH]2)C1 2325750676 XCZUMUYDRYMESL-HTQZYQBOSA-N 351.279 2.527 0 50 FFAA O=C(Cn1cc(-c2ccccc2F)nn1)NCCOc1cccc(Cl)c1 2325776507 TUSOVXQJROAJHU-UHFFFAOYSA-N 374.803 2.933 0 50 FFAA O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)c1nc(O)nc(O)c1F 2325865555 HERYRNVKANPORU-FXQIFTODSA-N 350.375 2.639 0 50 FFAA Cc1cccc(C[C@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC2=O)c1 2325868030 MKCCJKIEJDNPLW-RTWAWAEBSA-N 358.441 2.917 0 50 FFAA Cc1coc(C(=O)N2CCCC[C@@H](NC(=O)Cn3c(C)ccc3C)C2)c1 2325870539 CCMPLXYVDXFLIE-QGZVFWFLSA-N 357.454 2.817 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Br)c2)C1 2325888680 QJBLPNYAWYSMHN-JTQLQIEISA-N 355.207 2.951 0 50 FFAA O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1055268 SURSKOXKDIZYNC-UHFFFAOYSA-N 370.883 2.548 0 50 FFAA CN1C[C@@H](CN(C)c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1=O 2356146850 XQFXQELOKLFRFW-JTQLQIEISA-N 363.801 2.608 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3noc(C4CCC4)n3)C1)CC2 2356162257 DXXWXLFIPXTVGS-IBGZPJMESA-N 354.458 2.678 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 4040316 JZOICEPXBNEDMH-HNNXBMFYSA-N 353.827 2.623 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)CC[C@@H]2C(=O)Nc3ccccc32)CC1 101547371 KFOSMTLWDCILHK-HNNXBMFYSA-N 373.453 2.582 0 50 FFAA COc1ccc(CNC[C@@H](O)c2cccc(O)c2)cc1Br 57354892 DMMYCBJHILDHHL-OAHLLOKOSA-N 352.228 2.987 0 50 FFAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 248377176 FVGNVHWZPYYLBR-BEFAXECRSA-N 367.449 2.542 0 50 FFAA CC(C)(C)c1ccccc1NC(=O)Cn1c(-c2ccccn2)noc1=O 116540343 FTUAQJKQUXNYGQ-UHFFFAOYSA-N 352.394 2.835 0 50 FFAA O=C1CCCCN1CCC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 55052940 MOLFBOZBRBVKHB-INIZCTEOSA-N 350.484 2.658 0 50 FFAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC(OCc2ccccc2)CC1 53706258 KZPVNALZZLWPGI-GOSISDBHSA-N 370.493 2.985 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 55554973 LLNYHADBILMAKT-UHFFFAOYSA-N 367.449 2.624 0 50 FFAA CCn1c(CN2CCC(n3cc([C@@H](C)O)nn3)CC2)nc2ccccc21 23251269 DKHNCQSLXPUQJS-CQSZACIVSA-N 354.458 2.538 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)N(CCO)Cc1sccc1C)C2 65383837 GMPFWGSKAKKDJC-HNNXBMFYSA-N 361.463 2.637 0 50 FFAA CCn1cc(C(=O)N[C@@H]2COC3(CCCC3)C2)c(=O)c2ccc(C)nc21 20820154 NFRDILRQLNUCOG-AWEZNQCLSA-N 355.438 2.556 0 50 FFAA CCc1nc2nnc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3n2n1 71384762 NZEFVPWZPOUXBA-UHFFFAOYSA-N 361.192 2.693 0 50 FFAA O=C(Nc1ccccc1CC(F)(F)F)N1CCC(N2CCNC2=O)CC1 174000146 LZIJTWZRQIQJQB-UHFFFAOYSA-N 370.375 2.813 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2csc3c2CCCC3)CC1 124849556 MSYAEGYRBTTYGM-KRWDZBQOSA-N 359.495 2.946 0 50 FFAA CC[C@@H](NS(=O)(=O)c1cc(C)c(Cl)s1)[C@@H](O)C(F)(F)F 331028908 XGOSXOKDSWJEPR-HTRCEHHLSA-N 351.799 2.690 0 50 FFAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1COC2(CCNCC2)C1 216417716 VOLXPMOQSPAKRQ-FQEVSTJZSA-N 350.462 2.923 0 50 FFAA O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(Oc2ccccc2F)CC1 12192755 GWSQRMBVDPYOPK-AWEZNQCLSA-N 360.429 2.597 0 50 FFAA O=C(NCc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 72441955 HINDFAJEDDPZQF-UHFFFAOYSA-N 362.426 2.540 0 50 FFAA Cn1cc(CCC(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 12707470 JOBZUJZKKIPKEC-SFHVURJKSA-N 360.889 2.787 0 50 FFAA CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72164579 CIXNIIKFMTVFAI-HXUWFJFHSA-N 365.477 2.522 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)c1 72407183 MOYDEURUAZRFMB-SFHVURJKSA-N 367.497 2.739 0 50 FFAA c1ccc2[nH]c(CCCn3ccnc3-c3cc4n(n3)CCCNC4)nc2c1 72448246 XAUHAAYDYWYYBO-UHFFFAOYSA-N 361.453 2.749 0 50 FFAA COc1ccc(F)c(F)c1C(=O)NC1CCN(Cc2ccncc2)CC1 218906242 MLRGXSZWDBRLJF-UHFFFAOYSA-N 361.392 2.763 0 50 FFAA Cc1cc(C)cc([C@H](NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)C(=O)O)c1 263134001 TUBKFXGMUHRRQK-WBMJQRKESA-N 368.389 2.579 0 50 FFAA COc1cccc(CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2=O)c1 77357092 OADJZJONRSGXPX-UHFFFAOYSA-N 372.852 2.762 0 50 FFAA Cc1ncsc1CCS(=O)(=O)c1nc(CCC2CCCC2)n[nH]1 177509201 WDFOAVZOIZBLSE-UHFFFAOYSA-N 354.501 2.709 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cnn(Cc4ccccc4)c3)[C@H]2C1 426555828 FLALSHVQQKDCKN-SVFBPWRDSA-N 369.465 2.730 0 50 FFAA CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)CC(=O)N2 18101062 BFIWEUWCNSTERP-VIFPVBQESA-N 366.240 2.728 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CCO1 178280870 LQRWIHVELUZYMC-IBGZPJMESA-N 362.385 2.827 0 50 FFAA CCOC(=O)c1cccnc1N1CCC2(CC1)Nc1ccccc1NC2=O 82106736 BVFWGUPYJMFOJY-UHFFFAOYSA-N 366.421 2.662 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nnc(-c2ccccc2)o1 265544328 FIRVKGSYFSHPBG-JYJNAYRXSA-N 369.421 2.914 0 50 FFAA CC(=O)Nc1ccc(-c2cn([C@H]3CCCN(c4ncccn4)C3)nn2)cc1 82116318 KHWLJNYZYZYDRB-KRWDZBQOSA-N 363.425 2.535 0 50 FFAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cc4cc(F)ccc4n3C)C2)ncn1 223707107 SBFCPHQHYIFQDV-YEORSEQZSA-N 353.401 2.825 0 50 FFAA Cc1cc2occ(CC(=O)NC3CCS(=O)(=O)CC3)c2cc1Cl 426534491 RLBHHGJAYGJVIB-UHFFFAOYSA-N 355.843 2.631 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cncs1)CC2 426478271 ZLSKWRMSCRSFON-QIIPPGSGSA-N 359.451 2.769 0 50 FFAA Cc1ccc(CN2CCN(c3ncc(C(=O)O)cc3Cl)CC2=O)cc1 95510639 VFRXYZYOQSUMCT-UHFFFAOYSA-N 359.813 2.590 0 50 FFAA O=C(c1cccc(Cn2cccn2)c1)N1CCN(Cc2ccsc2)CC1 91755470 MJKVDPDJDAEUDP-UHFFFAOYSA-N 366.490 2.951 0 50 FFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc(C)c(N3CCNC3=O)c2)on1 91475752 RWSCQUVHDKYYTH-OAHLLOKOSA-N 354.410 2.798 0 50 FFAA COc1ccc(F)c(F)c1CN1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426509485 NMCOEPKUWWZRLL-LBPRGKRZSA-N 365.380 2.634 0 50 FFAA COc1ccccc1CN1CCN(C(=O)CC[C@H]2CCCCN2C)CC1 95352263 ILBFRLYKGNOBKF-LJQANCHMSA-N 359.514 2.604 0 50 FFAA C[C@@H](CNC(=O)c1ccc(-c2ncn(C)n2)cc1)Oc1ccccc1F 180301424 VLCXORDERNJZPB-ZDUSSCGKSA-N 354.385 2.819 0 50 FFAA C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCN2CCOCC2)c1 95531259 JOLZCPSSWRKXIT-KRWDZBQOSA-N 360.502 2.515 0 50 FFAA C[C@H](C(=O)Oc1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239425641 UXMMFRICWNOZIQ-QWYTWNTPSA-N 371.820 2.687 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2sccc2C)CC1 92066402 VRPOXNRCGKOJLI-UHFFFAOYSA-N 371.514 2.687 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCCCn1nccc1C1CC1)C2 95387696 YTTITCHJLVYCJE-MRXNPFEDSA-N 355.438 2.527 0 50 FFAA COc1ccc2nc(CCN(C)C(=O)c3cn4cc(C)ccc4n3)[nH]c2c1 91434138 BBLUYUGEUWFFMW-UHFFFAOYSA-N 363.421 2.842 0 50 FFAA Cc1cc2c(N3CCC(N(C)Cc4cnn(C)c4)CC3)ncnc2s1 95497910 IXTBCVQNBPLRPL-UHFFFAOYSA-N 356.499 2.834 0 50 FFAA Cc1cc(N2CCCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)ccn1 95357660 RLTHHTXZUMZUOY-HXUWFJFHSA-N 370.472 2.871 0 50 FFAA COc1cc(C)cc(OC)c1[C@H](C(=O)O)N(C)Cc1c(C)nn(C)c1C 95357534 WSBWQTBLBYPWSY-GOSISDBHSA-N 361.442 2.620 0 50 FFAA O=C(NCc1nnnn1-c1ccccc1)c1csc(-c2cccs2)n1 91952211 HZDQRQHDTCLZEU-UHFFFAOYSA-N 368.447 2.777 0 50 FFAA CCc1nnc(-c2ccc(OC)c(NC(=O)N[C@H]3CN4CCC3CC4)c2)o1 96139783 QZOYUDANELVVFL-HNNXBMFYSA-N 371.441 2.523 0 50 FFAA Nc1nc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)cs1 244633734 GIPSGVPBBFXHSI-PVXIVEMSSA-N 354.435 2.516 0 50 FFAA COc1ccc([C@H](NC(=O)CCc2ccccc2OC)[C@H]2C[C@@H](O)C2)cn1 244647004 GTHSSSVQDIBYGF-FVJLSDCUSA-N 370.449 2.660 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCNC(=O)c1ccccc1F 244724297 MRKLIWCMQXLAKJ-AWEZNQCLSA-N 361.442 2.904 0 50 FFAA COc1cccc([C@H](C(=O)O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 526055986 CSQYWQLFRXIARR-MRXNPFEDSA-N 364.442 2.764 0 50 FFAA C[C@@]12C(=O)O[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC(=O)[C@]5(C)[C@H]1[C@H]32 253596354 QKTJEGVAGWMOHM-GHUGSDNOSA-N 354.446 2.654 0 50 FFAA CSCC[C@H](CO)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)[nH]n1 252523077 BVHHONFLIHNMDX-CQSZACIVSA-N 363.483 2.708 0 50 FFAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(-n2cnnn2)cc1 184705504 GIRGYBUYEPXEMM-UHFFFAOYSA-N 360.421 2.600 0 50 FFAA COC[C@@H](NC(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccnn1C 534633656 HQJVJEYQOLZRSC-GOSISDBHSA-N 374.460 2.911 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)c1ccc(COc2ccccc2)cc1 299772208 SGHHDUUSFUWSEU-IBGZPJMESA-N 368.477 2.700 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCc3c(ncnc3N(C)C)C2)cc1 299800817 VWJHEUANIXDJQN-CQSZACIVSA-N 356.495 2.917 0 50 FFAA c1nc(N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c2cc[nH]c2n1 72167850 FMIXDFUEEMCIOL-CQSZACIVSA-N 351.410 2.810 0 50 FFAA Cc1ccc(CCNC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)o1 299785247 YJBAHZUAQZWZIY-SFHVURJKSA-N 371.437 2.861 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299798912 TWNKUCCOADCEEW-KSZLIROESA-N 354.454 2.952 0 50 FFAA CN1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)C1 299767987 DJUVGKKQHUGRST-SFHVURJKSA-N 366.465 2.981 0 50 FFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)cc1 299790887 DKOVHYBTXAQYOE-HNNXBMFYSA-N 357.406 2.888 0 50 FFAA CCCn1cc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)c(C)n1 299767056 BMQXFKHRWPQZMH-UHFFFAOYSA-N 354.498 2.995 0 50 FFAA CSc1ncc(CNC(=O)c2ccc(CN3CCC(C)CC3)o2)n1C 299777099 OGYBOCUWCPMHGZ-UHFFFAOYSA-N 362.499 2.897 0 50 FFAA CN(CCc1nc2ccccc2[nH]1)C(=O)CCC(=O)N1CCCCCC1 299756294 LAEAASKKPVMCNK-UHFFFAOYSA-N 356.470 2.747 0 50 FFAA COC(=O)COc1ccc(NC(=O)N[C@@H]2COC3(CCCCC3)C2)cc1 299782288 XLMCOBGRBGUNOF-HNNXBMFYSA-N 362.426 2.852 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)c2scc3c2OCCO3)c1 825187333 AYLOLTADABZHCI-UHFFFAOYSA-N 362.407 2.665 0 50 FFAA CC(C)c1nc([C@H]2CN(C(=O)c3ccc(CO)cc3)C[C@@H]2C2CC2)n[nH]1 952847975 CKMQZBRXTXIQDR-SJORKVTESA-N 354.454 2.686 0 50 FFAA COCCCOCCC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 952893185 GOBRBZKPFGSKGY-KRWDZBQOSA-N 366.527 2.662 0 50 FFAA CN1CCN(C(=O)c2csc(-c3ccsc3)n2)C[C@H]1c1ncc[nH]1 1875264082 GPELSHLULPIZKE-ZDUSSCGKSA-N 359.480 2.724 0 50 FFAA O=C(OCCCc1ccc2c(c1)OCCO2)[C@H]1C[C@](O)(C(F)(F)F)C1 1875322736 DXFJZSSHJAZNCN-DRQUAOQDSA-N 360.328 2.637 0 50 FFAA Cc1nc(C)c(C(=O)NCC2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)s1 952977388 MYNWCVLUJBVMSA-IKGGRYGDSA-N 373.522 2.941 0 50 FFAA C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)c2C1 1466087379 RRCBEKWBGSBGKK-MLGOLLRUSA-N 370.428 2.599 0 50 FFAA COCC1=CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 170598996 UKNBADCYHZUAOJ-SJLPKXTDSA-N 362.857 2.665 0 50 FFAA COc1ccc2sc(C(=O)N3CC[C@H](N4CCOCC4)C3)c(C)c2c1 172742453 FVNVWTZOUHZPLM-AWEZNQCLSA-N 360.479 2.765 0 50 FFAA CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)ccc2Cl)c1C 187127220 VWARCLKMCWQFHU-UHFFFAOYSA-N 359.854 2.981 0 50 FFAA O=C(O)CCN(C(=O)CCOc1ccc(Cl)cc1)C1CCOCC1 408513269 JJMXNXAQLPQGJP-UHFFFAOYSA-N 355.818 2.591 0 50 FFAA COc1ccc(-c2n[nH]cc2CNc2ncn(CC(F)(F)F)n2)cc1 195168228 OZSMAFPWKRXRQE-UHFFFAOYSA-N 352.320 2.851 0 50 FFAA O=C(NS(=O)(=O)c1ccc(Cl)cn1)c1ccc(C(F)(F)F)s1 797016258 KMDGXJUGZWHQDD-UHFFFAOYSA-N 370.761 2.934 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)nc(N)n1 1506421527 HVCWFVBCCJWDAZ-MRXNPFEDSA-N 367.497 2.856 0 50 FFAA O=C(Cc1cccnc1)NCC1CCN(c2ncnc3ccsc23)CC1 1506418824 VSMNDTWVSQIWDX-UHFFFAOYSA-N 367.478 2.662 0 50 FFAA CN(C(=O)CSc1nnc(-c2ccccc2)c(=O)[nH]1)c1ccccc1 5625560 NQUGBYITVLDYTA-UHFFFAOYSA-N 352.419 2.587 0 50 FFAA O=C(c1cn(Cc2ccc(F)cc2)nn1)N(CC1CCC1)C[C@@H]1CCCO1 11874186 UKRUCCVIUMFEBJ-SFHVURJKSA-N 372.444 2.887 0 50 FFAA Cc1ccn(CC(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)n1 11958470 ZBMJSBAJJFCIDK-NRFANRHFSA-N 372.513 2.613 0 50 FFAA CC(C)(CO)NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 12057283 PLIMEKJHURQMMN-UHFFFAOYSA-N 358.316 2.773 0 50 FFAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 12138280 TWKANDYNFDQSPY-IBGZPJMESA-N 368.433 2.921 0 50 FFAA COCCC(=O)N1CC[C@]2(CCCN(Cc3cc(OC)ccc3F)C2)C1 12438188 GQIJZQPOCYOYHH-FQEVSTJZSA-N 364.461 2.685 0 50 FFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(C(=O)C3=CCCC3)C2)c1 12474081 OAZXHEXJTCBTKA-OAHLLOKOSA-N 372.465 2.783 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 15073264 PPXFIRDDDDPRPY-LJQANCHMSA-N 364.392 2.510 0 50 FFAA CCOc1cc(CNCC2CCNCC2)cc(Br)c1OC 15083251 PAOOPQNDGSEGML-UHFFFAOYSA-N 357.292 2.946 0 50 FFAA OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1Cc1ccc(F)c(F)c1 19222429 DQXSLYQOEKQPJB-KRWDZBQOSA-N 362.420 2.739 0 50 FFAA Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)o1 162363334 XKVJXQMVMWWJAI-UHFFFAOYSA-N 354.859 2.748 0 50 FFAA CCOC(=O)c1cccnc1N1C[C@@H]2[C@@H](C(=O)OCC)[C@@H](C)C=C[C@H]2C1 1857740348 FVLCDVSSOODABT-OTRWWLKZSA-N 358.438 2.696 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12 328607581 WNUJGSXNDSOWLF-ZOCZFRKYSA-N 366.465 2.998 0 50 FFAA O=C(Nc1cccnc1N1CCOCC1)N1CCCc2ccccc2CC1 333151592 HXVPFLAIUCTCLG-UHFFFAOYSA-N 366.465 2.941 0 50 FFAA C[C@H](NC(=O)[C@H]1CC[C@@H](N)C1)c1cc2c(cc1Br)OCCO2 237529797 OJVDCXZWIZJCLM-GARJFASQSA-N 369.259 2.525 0 50 FFAA C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@](C)(C(=O)O)C1 237646178 QEQGPSIJJJPDES-BONVTDFDSA-N 356.216 2.540 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 238089466 FGULFEMWQFQOKV-IACUBPJLSA-N 353.365 2.551 0 50 FFAA O=C(O)c1cccc(CNC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1 238214120 SSPFVQKKGDDEOG-UHFFFAOYSA-N 373.840 2.966 0 50 FFAA Cc1ccc2nc3c(cc(C(=O)N4C[C@H](C)C[C@@H](C)C4)n3C)c(=O)n2c1 12421552 CSSOAFINMPTMBM-ZIAGYGMSSA-N 352.438 2.613 0 50 FFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 398014327 VKVSKRGVSODFOX-RDTXWAMCSA-N 368.437 2.817 0 50 FFAA CCOCc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1 12411242 BWQJWXKRKQLVRO-UHFFFAOYSA-N 364.814 2.593 0 50 FFAA CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(N)=O)C1 2092958 RMGAEXNAOYRMGV-QROSGCPLSA-N 364.467 2.967 0 50 FFAA CC(C)[C@@H](CNC(=O)CC1CC(=O)NC(=O)C1)c1ccc(Cl)cc1 2325780071 FIDMFHMJRVJHEH-OAHLLOKOSA-N 350.846 2.639 0 50 FFAA Cc1cc(C)c2c(C)c(C(=O)N3CC[C@]34CCCS(=O)(=O)C4)[nH]c2c1 2325783269 JRFCCRKYXZRYLK-IBGZPJMESA-N 360.479 2.886 0 50 FFAA Cc1cncc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(C)C)ncn2)c1 2325793377 RXPQYNBUVQIVJS-ROUUACIJSA-N 365.481 2.726 0 50 FFAA O=C(O)Cc1ccc2c(c1)N(C(=O)C[C@@H]1OCCc3ccsc31)CC2 2325808175 BJQZSTGNTGPNST-INIZCTEOSA-N 357.431 2.968 0 50 FFAA Cc1cc(C)cc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 2325842735 GXTYFMYSDFQDJY-INIZCTEOSA-N 354.454 2.794 0 50 FFAA CCOC(=O)CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 1196304 MLAWECBBYFWQKI-UHFFFAOYSA-N 353.469 2.780 0 50 FFAA COc1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1OC 1428920 AEPZMYIMVWOMQF-QGZVFWFLSA-N 357.406 2.624 0 50 FFAA CCNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 2877546 GJWHJSPQTNLNGF-UHFFFAOYSA-N 350.465 2.716 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2nc3cccc(C)n3c2F)C1=O 2356167936 JKPGEDKLNSIPGS-FQEVSTJZSA-N 372.444 2.789 0 50 FFAA Cc1cccc(N(CC(=O)Nc2cccc(F)c2)S(C)(=O)=O)c1C 4865658 RZRZZTFILYFQDP-UHFFFAOYSA-N 350.415 2.847 0 50 FFAA CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 136128712 KUPOLNRWQDQLLG-LLVKDONJSA-N 352.818 2.871 0 50 FFAA CC(C)CCC1=NC(=O)C2(CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)N1 55099545 KDYBHENTYNOULR-OAHLLOKOSA-N 363.502 2.517 0 50 FFAA Cc1cnc(C)c(N2CCN(Cc3cccc(Cn4cccn4)c3)CC2)n1 65407340 CKIVNULQWKZLAM-UHFFFAOYSA-N 362.481 2.660 0 50 FFAA CC(=O)N[C@@H](C(=O)O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C 236679182 IZMBOVSILJLAHP-CQSZACIVSA-N 355.316 2.770 0 50 FFAA COc1cccc2c1OC[C@@H](Nc1cc(C3CCNCC3)nc(C)n1)C2 67981997 OACPQSBGAHCLBQ-INIZCTEOSA-N 354.454 2.676 0 50 FFAA C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1cnn2c1OCCC2 333198327 URUQSBBZSPMPHW-LBPRGKRZSA-N 361.423 2.794 0 50 FFAA O=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1C1CCCC1 67772456 ZOYMBTCGPIIZNK-NRFANRHFSA-N 355.482 2.852 0 50 FFAA C[C@H](N[C@@H]1COc2ccccc2C1)c1cccc(S(=O)(=O)N(C)C)c1 173362531 HBSQCBLXAZIOHK-YOEHRIQHSA-N 360.479 2.591 0 50 FFAA O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC[C@@H]2c2ccccc2)C1 329591276 ZWXUDSBOPDILLJ-LJQANCHMSA-N 370.474 2.678 0 50 FFAA Cn1nnc2c1C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1)CC2 333697424 CVDQMHDRHMKIDX-QMMMGPOBSA-N 369.650 2.975 0 50 FFAA c1csc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 72126354 CYZSOFOFICIRHV-CDHQVMDDSA-N 369.490 2.934 0 50 FFAA COCc1nc2ncc3c(=O)n(-c4cccc(Cl)c4C)ccc3n2n1 71385233 YSILLHGKDFCUMR-UHFFFAOYSA-N 355.785 2.537 0 50 FFAA Cc1cc(N2CCN(CCc3ccccc3)C(=O)C2)n2nc(C)c(C)c2n1 72453868 GLSPMYXYVDGARP-UHFFFAOYSA-N 363.465 2.546 0 50 FFAA Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1CC[C@@H](N)C1 237666225 DEOXBQUWBNJITH-KXPUMZMLSA-N 358.873 2.774 0 50 FFAA C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 332696861 RUCFAIHQSRVVLG-BFQNTYOBSA-N 355.841 2.613 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 490916203 WKEVZNXULKSQNH-JTQLQIEISA-N 356.323 2.993 0 50 FFAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)Cc1ccccc1C(F)(F)F 238102642 RXZJDGIQJSDPHZ-CYBMUJFWSA-N 359.344 2.730 0 50 FFAA CN1C[C@]2(CCCN(Cc3cccc4c3OC(F)(F)O4)CC2)OC1=O 72157913 NFAUVFNBRIMVPK-MRXNPFEDSA-N 354.353 2.815 0 50 FFAA CCc1cc(NCc2cc3c(nc2OC)CN(C2CCCC2)C3=O)ncn1 71745340 NJZLVGAFGNJHTG-UHFFFAOYSA-N 367.453 2.953 0 50 FFAA O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 377274086 VMUAKIAFOIWWDS-MRXNPFEDSA-N 356.451 2.619 0 50 FFAA O=C(c1ccc2nc(S)oc2c1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 159014748 BQPDQORTTGIUFX-TZMCWYRMSA-N 374.418 2.674 0 50 FFAA CCCn1nccc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71749443 FCZVNJSHYKCICG-HMXCVIKNSA-N 364.493 2.996 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C4CCN(C)CC4)C3)C2=O)c1 14978248 ORIFSDHHFWOJJU-JOCHJYFZSA-N 355.526 2.904 0 50 FFAA CCN1CCC[C@H]1CN(C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 176973096 JVVHPTQFPKQAMB-HNNXBMFYSA-N 371.437 2.669 0 50 FFAA Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3sc(C)cc3C)C2)n1 292412481 JRIKHPCXOZQTIB-HNNXBMFYSA-N 368.528 2.674 0 50 FFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)COc1ccccc1O 82092128 WFJQLJNYQZSGME-ZDUSSCGKSA-N 374.824 2.688 0 50 FFAA CC(C)=CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 82161357 IUYMFXCIYCSFNT-NRFANRHFSA-N 355.482 2.822 0 50 FFAA COC[C@@H]1[C@@H](NC2CCN(c3ccc(F)c(F)c3)CC2)[C@@H]2CCO[C@@H]21 220371096 CPNWWQQIQSQGAC-QXGSTGNESA-N 352.425 2.573 0 50 FFAA Cc1cc(Cl)ccc1C(=O)N1CCC(CO)(CN2CCCC2)CC1 223203084 YPDBWXUPHYROAZ-UHFFFAOYSA-N 350.890 2.959 0 50 FFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1nnc(-c2ccccc2)o1 265544335 FIRVKGSYFSHPBG-PMPSAXMXSA-N 369.421 2.914 0 50 FFAA CC1(C)CN(C(=O)NCc2ccc(CO)c(F)c2)C[C@@H](C(F)(F)F)O1 291815377 KKMMTLDWGPOFAE-ZDUSSCGKSA-N 364.339 2.569 0 50 FFAA CSCC[C@H](NC(=O)NC1(CO)CCCC1)c1nc2ccccc2[nH]1 426641456 VFJKBFAEWPYWKE-HNNXBMFYSA-N 362.499 2.961 0 50 FFAA Cn1ccnc1[C@H]1CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 82134702 XHJNEIYFXKREER-ZDUSSCGKSA-N 363.845 2.917 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c1 20614272 KWUFVCHWSXLCNX-UHFFFAOYSA-N 372.288 2.620 0 50 FFAA O=C(CCn1c(CO)nc2ccccc21)NCCSc1ccccc1 97694717 JKIDHSWIUUNDKJ-UHFFFAOYSA-N 355.463 2.827 0 50 FFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCC(N2CCSCC2)CC1 95370751 HVFFOIKAMRJCBI-OAHLLOKOSA-N 350.532 2.607 0 50 FFAA COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)c3ccnnc3)C2)cc1 95501241 TYRVROXOJOMGOJ-SFHVURJKSA-N 368.481 2.512 0 50 FFAA COc1cc(NC(=O)N2CCN(C3CCSCC3)CC2)ccc1F 95517946 JURLZIMGIGNMFU-UHFFFAOYSA-N 353.463 2.879 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1CCO[C@@H](CCO)C1 97797405 ZPRMSZFRSWPWIL-FQEVSTJZSA-N 357.450 2.857 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccc(=O)[nH]c2)cnn1-c1ccc(F)cc1F 91657062 MVVOSAOBPVMKEL-SNVBAGLBSA-N 358.348 2.638 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)OCCO3)C2 91665238 YILKCWPVRNRMOF-ZWKOTPCHSA-N 368.481 2.586 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)C[C@H]2NC(C)=O)cc1 95499412 XPWVRZIAMYBQPR-AZUAARDMSA-N 370.424 2.887 0 50 FFAA O=C(Nc1ccc(-n2cccn2)cc1)NC1(CN2CCOCC2)CCCC1 96133523 GNTRRIHKJLUCAR-UHFFFAOYSA-N 369.469 2.639 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)no1 95367547 RVXPFMKIIQSTGQ-CYBMUJFWSA-N 357.439 2.704 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCC(Cc3nc(C)no3)CC2)N(C)C)cc1 95369988 QMCFJLLJKJCNEL-IBGZPJMESA-N 356.470 2.770 0 50 FFAA CN(C)c1nccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1 95364241 OXFXYCKFABPGAC-AWEZNQCLSA-N 369.498 2.628 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN(Cc4ccco4)C3)CC2)no1 95500820 IUHVKDKFYXSMTC-QGZVFWFLSA-N 372.469 2.664 0 50 FFAA CN1CC[C@]2(CCC1=O)CN(Cc1cc(C3CCCCC3)no1)CCN2C 91707516 XWIQDHAHVOEBOD-OAQYLSRUSA-N 374.529 2.851 0 50 FFAA O=C(CCC1CC1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91255918 JKZDMXUTZSBDCU-UHFFFAOYSA-N 368.485 2.754 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(Cc2ccccn2)CC1 91537036 ZRHBYWMFEUCJNJ-UHFFFAOYSA-N 374.448 2.573 0 50 FFAA O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCO[C@H](c2cccnc2)C1 296322626 BCYQGKFDJFMJEY-WMZOPIPTSA-N 364.409 2.704 0 50 FFAA CN(CC[C@@H](O)c1ccccc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 92062418 XYUBSFFSVMCMAU-HXUWFJFHSA-N 372.509 2.997 0 50 FFAA CCc1c(C(=O)N2CC[C@@]3(CCCN(CCOC)C3=O)C2)csc1C 91745687 BODNNKCGRXRPOP-IBGZPJMESA-N 364.511 2.720 0 50 FFAA Cc1ccccc1CN(C(=O)C[C@H]1C(=O)N(C)C(=O)N1C)C1CCCCC1 91493019 SHAILRZOHGNFPQ-SFHVURJKSA-N 371.481 2.939 0 50 FFAA Cc1cc(-c2ccccc2)nc(CN2CCC3(CC2)OCCC[C@@H]3O)n1 95383363 CUPVVOLPDYNQAZ-IBGZPJMESA-N 353.466 2.958 0 50 FFAA CCc1ccc(CCCC(=O)N2CCC3(CC2)CN[C@H](C(=O)O)C3)cc1 91663208 DYYHYESRBQOFGS-SFHVURJKSA-N 358.482 2.627 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)c1ccc(-c2cccc(F)c2)cc1 244652092 GZTQBLLAAIRSNH-INIZCTEOSA-N 356.441 2.927 0 50 FFAA COC(=O)[C@@]12[C@@H]3[C@H]4[C@H]([C@H]5CCC[C@H]53)[C@@]3(SC)[C@@H]5[C@@H]6[C@H](CC[C@@H]6[C@]31O)[C@@H]2[C@@H]45 247854224 SQCIWXCDMLADBM-HYOYGBRMSA-N 372.530 2.816 0 50 FFAA COc1ccccc1CNC(=O)CCN(C)Cc1ccc2nsnc2c1 244734881 NNKFWAYENQSWHZ-UHFFFAOYSA-N 370.478 2.838 0 50 FFAA COc1ccc(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)c(OC)n1 299799241 DXBYOJMTEIOEEJ-QGZVFWFLSA-N 373.428 2.805 0 50 FFAA Cc1nn(CCCNc2cc([C@@H]3CCOC3)nc(N)n2)c(C)c1Cl 299782904 MZPHMOKLYBTMKA-GFCCVEGCSA-N 350.854 2.532 0 50 FFAA O=C(NCCCC[C@H]1CCCO1)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O 299773346 FIKGBFZRFWTSCA-HNNXBMFYSA-N 371.437 2.916 0 50 FFAA COCc1nc(CCCN2CCCCC2=O)n(Cc2ccc(F)cc2)n1 824490850 VOYRNWCZEDQOAX-UHFFFAOYSA-N 360.433 2.557 0 50 FFAA COCCn1cncc1CNC(=O)[C@H]1CCCc2c1[nH]c1ccccc21 824466304 OWFNWNVRNPMJPA-KRWDZBQOSA-N 352.438 2.747 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 584889055 WNQIZFBLTLHVDV-HNNXBMFYSA-N 371.460 2.983 0 50 FFAA CN1Cc2ccc(CN(C)C(=O)c3ccc(SCCO)cc3)cc2C1 584901104 YONUXMGIJKBZHO-UHFFFAOYSA-N 356.491 2.989 0 50 FFAA CC1(C)C[C@H](NC(=O)N2CCC3(CC2)COC(=O)O3)c2ccccc2O1 584895862 JRFVDIJQFFWCEC-AWEZNQCLSA-N 360.410 3.000 0 50 FFAA CC(C)c1ccc(-c2noc(CN3CC[C@@H]4[C@@H](CC(=O)N4C)C3)n2)cc1 1875281679 PVQFCAJAUHOQKZ-DLBZAZTESA-N 354.454 2.913 0 50 FFAA Cc1cnc2c(c1)N(C(=O)c1sc3nc(C)nc(N)c3c1C)CCN2 1875268447 SYXOGWKWQVZTAY-UHFFFAOYSA-N 354.439 2.666 0 50 FFAA Cc1c(C(=O)NS(=O)(=O)c2ccsc2)ccc2cnc(C3CC3)n12 1875258893 HHDOZKCARXPNKS-UHFFFAOYSA-N 361.448 2.700 0 50 FFAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H]1CCNc2ccccc21 1875292931 WZUCQTXYGLNQPT-IEBWSBKVSA-N 364.449 2.816 0 50 FFAA CC(=O)c1[nH]c2ccccc2c1C(=O)NCC(C)(C)C1(O)CCOCC1 1875278603 OTJOJDTXGOSKMA-UHFFFAOYSA-N 358.438 2.668 0 50 FFAA O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H]1CC2(CCNCC2)CO1 877332144 ZRWJKJVIUJUDNE-KRWDZBQOSA-N 371.506 2.628 0 50 FFAA COC[C@@H](C)CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1coc2ccccc12 1875326630 GSPSVMPZWOYECQ-HRCADAONSA-N 370.449 2.921 0 50 FFAA Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c2ccccc12 1875312795 APVKWLOCTJQIRU-GOSISDBHSA-N 368.458 2.523 0 50 FFAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(C3CC3)nc2C)o1 1875404246 BAPDVJGOXNHWCP-XOBRGWDASA-N 368.437 2.948 0 50 FFAA O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402320 FWARWEZLGANPJW-CDHQVMDDSA-N 366.465 2.643 0 50 FFAA Cc1nn(CCO)c(C)c1CN(C)CC1CCN(Cc2ccccc2)CC1 952962486 CBACILFRGAQQBL-UHFFFAOYSA-N 370.541 2.836 0 50 FFAA Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CC(=O)OC12CCCC2 952965798 AMTFILGBFHLRPU-INIZCTEOSA-N 353.422 2.673 0 50 FFAA CCCCOc1ccccc1CN[C@H]1CCCN(c2nccn(C)c2=O)C1 275709255 YDNAJECIVVZQOK-SFHVURJKSA-N 370.497 2.718 0 50 FFAA O=C(NCCNC(=O)[C@@H]1CCCc2cccnc21)c1ccccc1Cl 170614957 RFZLYCSQPNJCEU-OAHLLOKOSA-N 357.841 2.701 0 50 FFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCc2ccc3[nH]ccc3c2)C1 189128504 HABITXDEOUGERF-DOTOQJQBSA-N 354.410 2.781 0 50 FFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2cnc(O)cc2C)cc1 762341792 CCPBWROMVMOQBY-YLJYHZDGSA-N 356.422 2.617 0 50 FFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)CCn2ccc3ccccc32)C1 779855840 PCBRNIDWDTVNOF-NVXWUHKLSA-N 354.410 2.711 0 50 FFAA O=C(CN1CCC(OCc2cccnc2)CC1)Nc1ccc(Cl)cn1 1506396726 ICZQKCXFUITSFX-UHFFFAOYSA-N 360.845 2.750 0 50 FFAA Cc1nnnn1CCC(=O)Nc1c(-c2ccccc2)cnn1C(C)(C)C 1506423737 ZNRFIKXZQYHSPZ-UHFFFAOYSA-N 353.430 2.629 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cn1 1529185067 ISPHQSYDOVSPQZ-UHFFFAOYSA-N 364.405 2.982 0 50 FFAA COc1cc2nc(NCCCNc3ccc(C)cn3)nc(N)c2cc1OC 1529167343 KGYWOPLPZAHWDK-UHFFFAOYSA-N 368.441 2.847 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2cccnc2O)CC1 1704343979 LYRKGVRTSXSTEC-UHFFFAOYSA-N 354.406 2.500 0 50 FFAA O=C1C[C@@H]2CN(Cc3ccc(OCCc4ccccc4)cc3)C[C@@H]2CN1 1800414153 LOLNIRJPTFHPIN-UXHICEINSA-N 350.462 2.876 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1F 1615733872 AMNHHDPZJNFVFB-HKUYNNGSSA-N 370.424 2.732 0 50 FFAA O=C(CSc1nnc(-c2ccccc2)c(=O)[nH]1)Nc1ccccc1F 5626419 DXIUXZINFSOOSU-UHFFFAOYSA-N 356.382 2.702 0 50 FFAA COc1ccc(CNCc2ccc(C)o2)cc1OC[C@@H](O)CN1CCCC1 12297946 WAXAMTJYRPBUII-SFHVURJKSA-N 374.481 2.722 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc2ccccc2n1 14968748 USNJXRDYAFBTGZ-QGZVFWFLSA-N 363.392 2.905 0 50 FFAA COC[C@H](C)NC(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 15066711 QUOFGFLPUPNHKK-JTQLQIEISA-N 357.332 2.772 0 50 FFAA O=C(CSc1ccccn1)N[C@@H]1CCCN(CCc2ccccc2)C1 15072047 NWFIZSIOYOWZEF-GOSISDBHSA-N 355.507 2.997 0 50 FFAA CCOc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1C(C)C 16651282 YHRWQZYVVSJFJO-UHFFFAOYSA-N 351.472 2.774 0 50 FFAA COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3 19632726 XPOJSWHIKCNLEQ-UHFFFAOYSA-N 369.417 2.846 0 50 FFAA biogenic,in-vitro Cc1nccc(-c2ccccc2)c1C(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857670079 ORPHVNNHKLXZGB-AYOQOUSVSA-N 352.434 2.669 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3c(C)nc4sccn34)CC2)O1 1857712355 VSAVLSQNXFMCCK-KGLIPLIRSA-N 363.483 2.629 0 50 FFAA CCC(CC)CN1CC2(CCN(c3nncs3)CC2)OCCC1=O 1857725595 FAQRENHIPKBICL-UHFFFAOYSA-N 352.504 2.562 0 50 FFAA CO[C@H]1C[C@@H](C(=O)NCCc2ccccc2OCCC(C)C)CC[C@@H]1N 1857741244 KJKLACMJTWTVEB-BJLQDIEVSA-N 362.514 2.913 0 50 FFAA O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212410558 DAXOEWOGTSQURS-AEFFLSMTSA-N 364.401 2.887 0 50 FFAA O=C1[C@H](NC(=O)C2(O)CCCC2)CCCN1c1ccc(Cl)cc1Cl 331523528 ACTKCNUUMSMSAV-CYBMUJFWSA-N 371.264 2.910 0 50 FFAA O=C(O)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 238030037 GSPSFIRDDMQGAD-KBPBESRZSA-N 352.228 2.876 0 50 FFAA COc1ccccc1OCCC(=O)NC[C@@](C)(CO)Cc1ccccc1 241923330 UFCMYVHRLFPELL-NRFANRHFSA-N 357.450 2.822 0 50 FFAA CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 248251840 SPQBIGTXXGNCDT-GVAFMPQTSA-N 356.422 2.676 0 50 FFAA O=C(NS(=O)(=O)c1csnc1Cl)[C@@H]1C[C@]12CCc1ccccc12 861396661 ZMCVNOMCAKTQOV-NHYWBVRUSA-N 368.867 2.506 0 50 FFAA O=C(O)[C@@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 912148 YZNOCZYSARSFSL-ZDUSSCGKSA-N 354.431 2.837 0 50 FFAA biogenic CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 894855 HQKSZMPYLDTIRF-RBUKOAKNSA-N 356.466 2.778 0 50 FFAA CCc1cc2c(=O)n(CC(=O)N3CCCc4ccccc43)cnc2s1 936995 DGQXGKQOSYOQRA-UHFFFAOYSA-N 353.447 3.000 0 50 FFAA CCCC(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 1461755 WRCNOFBLDRRTDB-UHFFFAOYSA-N 358.419 2.977 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3noc(C4CCC4)n3)C1)CC2 2356162258 DXXWXLFIPXTVGS-LJQANCHMSA-N 354.458 2.678 0 50 FFAA CCC(=O)Nc1nnc(S[C@@H](CC)C(=O)Nc2nccs2)s1 2848118 NBVQHTVXMSEKFE-ZETCQYMHSA-N 357.486 2.853 0 50 FFAA CC(C)C(NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)C(C)C 2987000 LOSXDPLHAIHTQF-UHFFFAOYSA-N 360.907 2.903 0 50 FFAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 6731002 DSBUPFKRBJNNFI-AWEZNQCLSA-N 372.252 2.849 0 50 FFAA CC[C@H](C)N(C(=O)c1cc(S(N)(=O)=O)ccc1OC)C1CCCC1 55132213 PFQBPWJAJABJCQ-LBPRGKRZSA-N 354.472 2.526 0 50 FFAA CCCCN(Cc1ccccc1F)C(=O)c1c[nH]c2cc(C)nn2c1=O 102486171 RORNVBKHNKWHIS-UHFFFAOYSA-N 356.401 2.913 0 50 FFAA CCCn1nc(C)c(CNCc2c(C)n(CC(N)=O)c3ccccc23)c1C 55414655 VSLIVPSGFKVRRT-UHFFFAOYSA-N 367.497 2.948 0 50 FFAA Cc1ccc(OCc2nnc(NC(=O)NC[C@H]3CCCOC3)s2)cc1 23191524 JMJZQZKIGVSBAT-CYBMUJFWSA-N 362.455 2.974 0 50 FFAA Cc1cccc(-c2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cs2)c1 20417582 KBKWMPKWFPVPLN-GOSISDBHSA-N 371.506 2.942 0 50 FFAA Fc1cccc([C@]2(CNCc3cccc(-n4cncn4)c3)CCOC2)c1 23192144 KZOHVASYFLZXFX-FQEVSTJZSA-N 352.413 2.854 0 50 FFAA CCn1ncc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1C 11813556 AQMABLPVWXXHAO-INIZCTEOSA-N 358.461 2.993 0 50 FFAA O=C(c1cc(N2CCNC2=O)ccc1F)N1CCc2ccccc2CC1 119020328 MKNUPEHSXMDNRA-UHFFFAOYSA-N 353.397 2.596 0 50 FFAA CC(C)N1CC[C@@H](CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)C1 252458618 XJVBXELKZPOMDE-DLBZAZTESA-N 362.493 2.682 0 50 FFAA CCn1c([C@@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)nn(C)c1=O 67723585 XNGZUCWTBKYZFC-MRXNPFEDSA-N 367.453 2.636 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)c1 77486031 CKGIHHBVQDOECH-UHFFFAOYSA-N 367.449 2.993 0 50 FFAA O=S(=O)(c1ccc(F)cc1Cl)N1CCC(Nc2cccnn2)CC1 122214111 YLVHIYBSKMLWAG-UHFFFAOYSA-N 370.837 2.534 0 50 FFAA O=C(CCc1cccc2c1OCO2)N1CC[C@](O)(c2ccc(F)cc2)C1 364219053 QWHXWCSDIVVHPR-HXUWFJFHSA-N 357.381 2.607 0 50 FFAA NC(=O)C1(N2CCCCC2)CCN(c2cc(Cl)c3cc[nH]c3n2)CC1 72168852 RQTFOLLFIWELLN-UHFFFAOYSA-N 361.877 2.527 0 50 FFAA COc1ccccc1N1CCC(NC(=O)NC[C@H]2CCC[C@@H](O)C2)CC1 174459208 KPULLBDIGSBVKN-DOTOQJQBSA-N 361.486 2.514 0 50 FFAA CCN(CC)c1nc2sc(C(=O)N3C[C@H](O)C4(CC4)C3)cc2s1 364449015 QCTUKWXHOOQDKD-LBPRGKRZSA-N 351.497 2.801 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCN[C@H](c3ccccc3)C2)o1 218830222 YVAFHUFZFATKIH-INIZCTEOSA-N 355.467 2.706 0 50 FFAA CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)c(=O)n(C)c2)CC1=O 156141826 BLNIEVQFORNYMR-CYBMUJFWSA-N 373.840 2.593 0 50 FFAA CC1CCN(C(=O)COc2ccc(CN3CCN4CCC[C@@H]4C3)cc2)CC1 215807398 MMUVZTBFGYBGGW-HXUWFJFHSA-N 371.525 2.604 0 50 FFAA C[C@H]1OCCN(Cc2nc(-c3ccco3)no2)[C@@H]1c1nc(C2CC2)no1 286272194 RWFXXZQAKBCYSC-YGRLFVJLSA-N 357.370 2.552 0 50 FFAA COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc(OC)c1O 217706093 PATXQPIQJYWQIW-GFCCVEGCSA-N 358.346 2.759 0 50 FFAA biogenic CC(C)CN(CC(C)C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 72133911 GZJVCMYVYPKQPW-QGZVFWFLSA-N 365.543 2.579 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc2ccccc2n(C)c1=O 215832240 CUAJEPGZBGXEIU-UHFFFAOYSA-N 364.430 2.815 0 50 FFAA CCc1nc(NCc2cnn(-c3cccc(OC)c3)c2)c2cnn(C)c2n1 72148178 AUTHDHUBBQQBEM-UHFFFAOYSA-N 363.425 2.732 0 50 FFAA O=C(N1CCCC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 72423994 XAUGMHWKEPWXBJ-RBUKOAKNSA-N 355.482 2.758 0 50 FFAA Cc1ccccc1SCC(=O)NCCc1nc(-c2cccnc2)n[nH]1 222282314 NEPDJUPVJDJDHE-UHFFFAOYSA-N 353.451 2.626 0 50 FFAA Cc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3CCCn3ccnc3)C2)o1 19639781 BKVOJNOSALUECO-MJGOQNOKSA-N 356.470 2.688 0 50 FFAA COCC(=O)N1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 220057330 QJCRXAAWZFWJDQ-UHFFFAOYSA-N 366.461 2.603 0 50 FFAA CC1(C)CN(C(=O)Nc2ccc(-n3ccnn3)cc2)C[C@@H](C(F)(F)F)O1 292986227 ROSCVVPZLWIHLD-ZDUSSCGKSA-N 369.347 2.841 0 50 FFAA Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 195404197 YKLKQIKUUSJQGC-IJPPCXMXSA-N 365.429 2.652 0 50 FFAA Cc1nnc(SCCNC(=O)Cn2ccnc2-c2ccccc2)s1 91351174 IBEZXRDCEDYAHA-UHFFFAOYSA-N 359.480 2.619 0 50 FFAA CCN1CC[C@@]2(CCC1=O)CN(C/C=C/c1ccc(F)cc1)CCN2C 91526370 VYICFIDTXYJQMF-FNEOHHHZSA-N 359.489 2.858 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)N1CCCN(Cc2ccccn2)CC1 95517652 OGBOJBVGUAKQRJ-UHFFFAOYSA-N 354.410 2.550 0 50 FFAA Cc1ccc(NC(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)O)C3)CC2)cc1 91656635 HDDPSSAUVSKVNM-OAHLLOKOSA-N 373.453 2.705 0 50 FFAA O=C1CC2(CCN([C@@H]3CCCNC3)CC2)CN1Cc1cc(F)cc(F)c1 91656569 BYIOXASDQMNAQW-GOSISDBHSA-N 363.452 2.531 0 50 FFAA CCNC(=O)c1ccc(C)c(NC(=O)c2ccnn2CC(F)(F)F)c1 294469553 MBJQBROAVKOVDG-UHFFFAOYSA-N 354.332 2.756 0 50 FFAA COc1cccc([C@@H](O)CNC(=O)c2cnc(Nc3ccccc3)nc2)c1 96150541 RIRVSFYENGNMJP-SFHVURJKSA-N 364.405 2.692 0 50 FFAA O=C(NCCCN1Cc2ccccc2C1)[C@H]1CCN(c2ccccc2)C1=O 95502355 HYAQFSOIVWUAGC-HXUWFJFHSA-N 363.461 2.562 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(C)o4)n[nH]3)CC2)c1 91563030 RHEGEMWLTDATHT-UHFFFAOYSA-N 366.421 2.949 0 50 FFAA CC(C)[C@H]1COC(=O)N1CC(=O)N1CCOc2ccc(Cl)cc2C1 95505581 CSVOYEFYSSEFSQ-CQSZACIVSA-N 352.818 2.538 0 50 FFAA Cc1nc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n(C)n1 95510905 XPZDNKUXBMXTLF-INIZCTEOSA-N 373.476 2.571 0 50 FFAA O=C(O)C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(F)cc1 299744943 QEQCAASFIFATNC-ZDUSSCGKSA-N 374.393 2.816 0 50 FFAA COc1cncc([C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]2C[C@@H](O)C2)c1 252527670 DDEMVRFGFKBKAN-FRIZHTMISA-N 366.421 2.517 0 50 FFAA COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccccc4)c3CO2)cc1 263616414 INHLKKYPUCMEIV-KRWDZBQOSA-N 350.378 2.811 0 50 FFAA Cc1ccccc1CNC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 263615698 DSCAWYXYEJTDJH-SFHVURJKSA-N 366.396 2.927 0 50 FFAA Cc1nc(O)nc(C)c1CCC(=O)N[C@@H](C)c1nc2c(s1)CCCC2 299779261 RFDIUXMCTLJZRT-LBPRGKRZSA-N 360.483 2.944 0 50 FFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 299802313 YUBYVWOSYJTBPK-LBPRGKRZSA-N 369.469 2.741 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)N(CCCO)Cc2ccc(Cl)cc2)CC1=O 828753667 PXDAHIUQQTWBMV-HNNXBMFYSA-N 366.889 2.698 0 50 FFAA COc1cccc(OC2CN(C(=O)NC[C@H](C(C)C)N3CCCC3)C2)c1 670462213 LQAZVUUVOYKARI-LJQANCHMSA-N 361.486 2.588 0 50 FFAA Cc1ccc(C2CC2)c(C(=O)N(C)C[C@H]2OCC[C@H]2c2n[nH]c(C)n2)c1 952886756 ROOPLIMIWWFOBO-SJLPKXTDSA-N 354.454 2.944 0 50 FFAA CC(C)CC(=O)N1CCC(NC(=O)c2cc3cc(Cl)ccn3n2)CC1 1875253251 ICFIIQCKSCZQTC-UHFFFAOYSA-N 362.861 2.755 0 50 FFAA C=CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1 1875368813 AENMJOVTYALKDQ-CZUORRHYSA-N 358.438 2.861 0 50 FFAA Cc1cc2c(NC[C@H](c3ccccn3)N3CCOCC3)ncnc2s1 952970043 DNDXCXOBBJVNBP-MRXNPFEDSA-N 355.467 2.880 0 50 FFAA COc1ccc2c(CC(=O)N3C[C@H](N)CC[C@H]3C(F)(F)F)coc2c1 886033213 SNWUFUXQBYYGCZ-ABAIWWIYSA-N 356.344 2.865 0 50 FFAA CC(C)[C@H]1CN(C(=O)CCc2ccc(F)cc2F)C[C@@H]1NC(=O)N(C)C 1565529816 ZFTUPDWVPUJJQY-WBVHZDCISA-N 367.440 2.652 0 50 FFAA CSc1ccc(C(=O)N2C[C@@H]3CN(CC4CCC4)C[C@]3(C(=O)O)C2)cc1 1565509670 KPPCXBDELFNVOY-JXFKEZNVSA-N 374.506 2.667 0 50 FFAA O=C(N[C@H]1CCCOc2ccccc21)[C@H]1CCCN(c2cnccn2)C1 170608408 SMPOQQXJYXBVPX-RDJZCZTQSA-N 352.438 2.723 0 50 FFAA O=C(CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)NC1CCCC1 280270814 CYTDTKSYWIHNMV-XJKSGUPXSA-N 356.388 2.872 0 50 FFAA Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)Cc3ccc(O)cc3)C2)no1 171353444 RHLIWAGQNOYHEN-XJKSGUPXSA-N 358.442 2.679 0 50 FFAA CN1CCCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1=O 191664078 NHTHHXLBLJWNNY-MRXNPFEDSA-N 352.862 2.562 0 50 FFAA CCO[C@@H]1C[C@@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)O)C1(C)C 193040993 DMZSXDUIBIBRBJ-SJKOYZFVSA-N 364.423 2.791 0 50 FFAA CC(=O)Nc1nonc1NC(=O)c1ccoc1COc1ccc(C)cc1 1506422364 AKXLPYUSFBMGTC-UHFFFAOYSA-N 356.338 2.761 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(C3CSCCSC3)C2)N1Cc1ccccc1 222309072 IEBXLUZQIHHZGY-SJORKVTESA-N 362.564 2.958 0 50 FFAA COc1cc2c(cc1CNc1nccc(N3CCC[C@@H](O)C3)n1)CCC2 1704300202 QAQNLIGTKBOQDF-QGZVFWFLSA-N 354.454 2.547 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)Cn3nc(C)cc3C)CC1)OCC2 1704304320 QBCBKYGFVSFKFH-UHFFFAOYSA-N 369.465 2.599 0 50 FFAA NC(=O)c1csc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)n1 1704330378 IDPSDYCPTICERS-UHFFFAOYSA-N 368.462 2.792 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@H](Cc4cc(C)no4)[C@@H](O)C3)cc2c1 1615965873 VUOATUXJBSDQIN-LPHOPBHVSA-N 367.449 2.889 0 50 FFAA COc1ccc(NC2(C(=O)N3C[C@H]4CCCN4C(=O)[C@H]3C)CCCC2)cc1 1772701069 JAJPOWYGUSKDDB-NVXWUHKLSA-N 371.481 2.642 0 50 FFAA COc1ccc(-c2noc(CN3CCCC[C@@H]3CCNC(C)=O)n2)cc1 11840173 XITHOOXVOWRGSQ-MRXNPFEDSA-N 358.442 2.626 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1cn2cccnc2n1 12201797 WRYNWWQZODLMKK-UHFFFAOYSA-N 372.432 2.691 0 50 FFAA COc1ccc(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 12404253 NZRQISHFXOQNFC-LJQANCHMSA-N 368.433 2.785 0 50 FFAA CC(=O)NCCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12463566 QJXCKPMHZPMPJN-GOSISDBHSA-N 354.454 2.509 0 50 FFAA Cc1ccnn1CCC(=O)N(CCc1ccccc1)CC1CCN(C)CC1 15075240 RANCKODUDNBHDN-UHFFFAOYSA-N 368.525 2.995 0 50 FFAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccc(F)c(F)c1 169778330 ZWIJOHOLHUBAGE-UHFFFAOYSA-N 365.343 3.000 0 50 FFAA Cc1cc(=O)c(O)c(C(C)(C)CC(=O)NCc2nc3ccc(F)cc3[nH]2)o1 1857526945 STVHGAVOCBDLGX-UHFFFAOYSA-N 373.384 2.653 0 50 FFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(N2CCOCC2)c(C)c1 1857666763 LESAYISSGDITLP-YRISNDGFSA-N 372.465 2.690 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@H]12 1857711265 QSIKSJKSOYSNGK-ASHKBJFXSA-N 355.360 2.933 0 50 FFAA C[C@@H](CNc1nc2ccccc2nc1N1CCCC1)CN1CCOCC1 301858064 BLQIIDJHAHHLDK-INIZCTEOSA-N 355.486 2.610 0 50 FFAA C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 230159398 CCZXEZBWLPFGQE-ORIJERBGSA-N 368.474 2.672 0 50 FFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccncc2F)cs1 328606143 QORFJETZZCTLFO-JSGCOSHPSA-N 366.437 2.670 0 50 FFAA COc1cc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ncn1 127489764 PLVZTVUAVTVWKI-UHFFFAOYSA-N 373.766 2.879 0 50 FFAA Cc1nc(-c2cccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)c2)no1 237697945 NFJURMYHIGVHLG-KCXAZCMYSA-N 355.394 2.903 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)C2 247987325 JDFIGPQSZXWSTL-SJORKVTESA-N 352.438 2.550 0 50 FFAA C[C@H]1CCCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)[C@@H]1C(=O)O 263016212 DCPIPYGQTCXXSY-NHYWBVRUSA-N 359.451 2.594 0 50 FFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2occ3c2CCOC3)CC1 803146128 JGJVQCPDJNTUIN-SFHVURJKSA-N 369.465 2.874 0 50 FFAA CCCCCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 12437182 KUUQNKBFHUALLN-UHFFFAOYSA-N 369.469 2.924 0 50 FFAA Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C(F)(F)C(F)(F)[C@]3(Cl)C2)cn1 2325762147 BSBPBATUPZXOJJ-CABZTGNLSA-N 353.747 2.647 0 50 FFAA COc1ccc([C@@H](NC(=O)c2nccc3ccsc23)C(=O)O)cc1F 2325865733 OIYNRHOTYROCJI-CYBMUJFWSA-N 360.366 3.000 0 50 FFAA CN(C[C@@H]1CCCN1C(=O)c1ccc2cccnc2c1)C(=O)c1cocn1 2325871571 QNXSMFYRZWSRGP-INIZCTEOSA-N 364.405 2.600 0 50 FFAA COC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 634669 JEUUYDPELQWUSL-UHFFFAOYSA-N 356.403 2.659 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccc(C)cc2C)c1 959303 ACZPHQFMBLYGSB-UHFFFAOYSA-N 371.389 2.894 0 50 FFAA Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccccc1 1074501 VNUAONUJHHDLED-UHFFFAOYSA-N 366.446 2.971 0 50 FFAA CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 1174514 XITGBOXOLFNAPW-UHFFFAOYSA-N 356.875 2.874 0 50 FFAA COc1ccc(CC(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1OC 4512617 VYJAOVDMLJTZHJ-UHFFFAOYSA-N 367.405 2.921 0 50 FFAA O=C(Nc1ccccc1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 6270580 PIKXZVQNMCVKLS-UHFFFAOYSA-N 354.391 2.530 0 50 FFAA C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1[C@H]2CC[C@H]1CC(O)C2 247727372 SVSQMVZNRLIESA-FXQIFTODSA-N 364.314 2.697 0 50 FFAA CCN(CCCN1CCOCC1)[C@H](C(=O)O)c1ccc(OC(C)C)cc1 55358073 KSUJCXLPZIBZEP-IBGZPJMESA-N 364.486 2.644 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)c1 55211313 YGYXBZYDAWPJIX-UHFFFAOYSA-N 361.449 2.534 0 50 FFAA CC(C)CN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C1=O 101764348 XBUSUPPPKXYREC-FGTMMUONSA-N 351.406 2.584 0 50 FFAA CC(C)(C)c1ccc(CN2CCN(c3ncccc3C(N)=O)CC2)cc1 65404630 JBNXKEOREQXNIE-UHFFFAOYSA-N 352.482 2.800 0 50 FFAA CC1=NN(C(=O)CSCc2cccc(F)c2)[C@@](O)(C(F)(F)F)C1 6263578 KIQIIJJPEZPKAY-ZDUSSCGKSA-N 350.337 2.918 0 50 FFAA CC(C)c1ccc(NC(=O)CCN2CCN(C[C@H]3CCCO3)CC2)cc1 65526937 KAESTLIXYXRLCG-HXUWFJFHSA-N 359.514 2.935 0 50 FFAA CN(Cc1cc(-c2ccncc2)no1)c1nc(CCN)nc2ccccc12 65498989 GLQGFTXUORIRHG-UHFFFAOYSA-N 360.421 2.817 0 50 FFAA O=C(Cc1cccnc1)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 20321984 MBGWATOXXJZHAP-HNNXBMFYSA-N 364.371 2.823 0 50 FFAA Cc1ccncc1S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 332690430 UXOSGUMRZVVZOJ-GFCCVEGCSA-N 369.849 2.740 0 50 FFAA Cc1nc([C@H]2CN(C(=O)CCN3c4ccccc4CC[C@H]3C)CCO2)no1 329546670 OJSNJMLIZMIZFZ-RDTXWAMCSA-N 370.453 2.509 0 50 FFAA Cc1nc(CC2CC2)sc1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 329859332 ORWSFDXPKRPUAF-WHWRDJHUSA-N 350.484 2.813 0 50 FFAA CCn1ncc(S(=O)(=O)Nc2ccn(Cc3cccc(C)c3)n2)c1C 2804719 UVVYYVLKFVTUMT-UHFFFAOYSA-N 359.455 2.565 0 50 FFAA O=C(c1ccc(O)cn1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 71712056 LELUEKWUXJZQQP-OAHLLOKOSA-N 366.339 2.890 0 50 FFAA C[C@H](NC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CCOCC1 125860195 MJUOFLBXAQJLFM-ZDUSSCGKSA-N 374.441 2.601 0 50 FFAA CCc1c(C)nn(CC(=O)NCc2ccccc2CN2CCCC2=O)c1C 219107498 CJYQNXZMTWENTP-UHFFFAOYSA-N 368.481 2.501 0 50 FFAA O=C(c1ccccc1)N1CCC(C(=O)N2CCOC[C@H]2c2ccco2)CC1 363254613 JITFPVBCWHSTGU-SFHVURJKSA-N 368.433 2.732 0 50 FFAA NC(=O)NCc1ccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc1 126431280 AGEGEORGUFFEPS-MSOLQXFVSA-N 371.481 2.999 0 50 FFAA Cc1c(C(=O)N2CC[C@H](Cc3ccncc3)C2)nnn1CC1CCCC1 366155607 DPULLZZPRHUCTE-GOSISDBHSA-N 353.470 2.877 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)cc1 72479902 CVUFNXXGJDSVBP-OAHLLOKOSA-N 357.381 2.994 0 50 FFAA O=C(CCn1ccccc1=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72421208 YJQSAMWPFMDSBE-INIZCTEOSA-N 354.385 2.618 0 50 FFAA COC(=O)[C@H](C)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 77322748 WWUKBQXPGZTDEE-AWEZNQCLSA-N 364.873 2.716 0 50 FFAA CC(C)[C@@H]1CN(C(=O)CCn2cnnc2)CCCN1Cc1ccc(F)cc1 71661817 VRKMOLVHQDKSSI-IBGZPJMESA-N 373.476 2.566 0 50 FFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(F)F)C(=O)O 262440487 GTHZMSJIQDYKPT-IMTBSYHQSA-N 356.152 2.985 0 50 FFAA Cc1nc2n(c1CN1CCN(C(=O)[C@@H]3CC=CC[C@H]3C)CC1)CCCC2 376105389 YBQRPZYNNNGRFN-SJLPKXTDSA-N 356.514 2.774 0 50 FFAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CCn3cncn3)C2)cc1 77470392 GFZFRAGWAOACMG-QGZVFWFLSA-N 364.453 2.773 0 50 FFAA O=C(c1cccc(-n2cncn2)c1)N1CC[C@]2(CCc3ccccc3O2)C1 378018383 NOLFXVWCNQMMMJ-OAQYLSRUSA-N 360.417 2.877 0 50 FFAA CC(C)(C)[C@@H]1C[C@H](NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCO1 378309184 DWZCMYXTPYLSAY-KBMXLJTQSA-N 350.463 2.777 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1cnn(C)c1)C1CC1 72435546 XREVLTVMDWDPTG-UHFFFAOYSA-N 363.465 2.956 0 50 FFAA CN(CC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1)Cc1cccnc1 77488745 NJAQLXSTTNSQQU-GOSISDBHSA-N 371.456 2.970 0 50 FFAA Cc1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)cc1 72408867 YUAHTUVMSXATDC-GOSISDBHSA-N 356.466 2.673 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2ccccc2OCc2ccccc2)C[C@H]1O 72477796 XKNHYDJRVCIZCR-TZIWHRDSSA-N 355.434 2.614 0 50 FFAA Cc1cc(NS(=O)(=O)c2cn(C)nc2C)cnc1N1CCCC[C@@H]1C 288513998 FWQVBHJGDITNRC-ZDUSSCGKSA-N 363.487 2.612 0 50 FFAA O=C(CN1CCCCC1=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 48212341 VPMBPWCOZBMJOD-UHFFFAOYSA-N 373.501 2.502 0 50 FFAA Cc1cnc2c(C)cccc2c1N1CCC(n2cnc(C(N)=O)c2N)CC1 291056846 FHDJNERNISCMFJ-UHFFFAOYSA-N 364.453 2.571 0 50 FFAA COCC1(CNC(=O)c2ccc(-c3cc(C(=O)O)ccn3)cc2)CCC1 426491616 YTUIROZTFFDLPW-UHFFFAOYSA-N 354.406 2.993 0 50 FFAA CCCCN1CCN(c2nc(C)nc3c2Cc2ccccc2OC3)CC1=O 96165575 DKVIZQKMVOYSQV-UHFFFAOYSA-N 366.465 2.717 0 50 FFAA O=C(O)c1nc(N2CCC(CCN3CCCC3=O)CC2)ccc1Cl 96161487 WNHKZFAOAIEBEL-UHFFFAOYSA-N 351.834 2.662 0 50 FFAA CCOCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 95387351 HTRLVJCBAGXDEZ-LJQANCHMSA-N 370.493 2.810 0 50 FFAA CC(=O)c1sccc1-c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 426434837 KUDCGDPYVLRSGM-CQSZACIVSA-N 363.460 2.535 0 50 FFAA Cc1cc(C(=O)NCCSC2CCCCC2)cc(S(N)(=O)=O)c1C 97681687 NPKKORPYYDZJOQ-UHFFFAOYSA-N 370.540 2.747 0 50 FFAA CCc1c(C)sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)c1C(N)=O 239121117 JIBYHEMELBEHAL-YRRQLQLVSA-N 362.451 2.569 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)c3c(C)c(C)c(C)[nH]c3=O)c2n1 97785334 YMJFNKPMOJGKKK-UHFFFAOYSA-N 365.433 2.966 0 50 FFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2nc(-c3ccccc3)no2)C1 426551754 GAOWOTFEUAXSRR-AWEZNQCLSA-N 355.442 2.505 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@@H]1CC(=O)N(Cc2ccncc2)C1 97099344 ZPBIXMZJSGXLBS-HXUWFJFHSA-N 363.461 2.625 0 50 FFAA CN(C)C1=NC(=O)C2(CCN(Cc3ccc(-c4ccccc4)s3)CC2)N1 97514425 OZABAJURMVMVOT-UHFFFAOYSA-N 368.506 2.797 0 50 FFAA Cc1cc2c(cc1NC(=O)[C@@H](C)n1nnc(-c3ccccc3)n1)OCO2 181341765 QLWKJIVYVRIWKB-GFCCVEGCSA-N 351.366 2.577 0 50 FFAA O=C(c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1)N1CCC1 95523644 WASPWZRSJKOBOU-UHFFFAOYSA-N 365.433 2.611 0 50 FFAA NC(=O)C1(c2nc(CCc3ccccc3)nn2Cc2ccc(F)cc2)CC1 95530029 RNFQWWVGWCRITM-UHFFFAOYSA-N 364.424 2.768 0 50 FFAA CC[C@@H]1CN(C(=O)c2ccc(N3CCSCC3)nc2)CCN1C(C)C 96402914 YZCBXSOKXFIEKM-QGZVFWFLSA-N 362.543 2.580 0 50 FFAA Cc1sc2ncnc(N3CCC(NCCCn4ccnn4)CC3)c2c1C 95508136 AIPWIZDENLXEQA-UHFFFAOYSA-N 371.514 2.548 0 50 FFAA CNc1nc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)ncc1F 91254641 ZXNXIOAMTXTBES-HNNXBMFYSA-N 367.432 2.681 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3cc(-c4ccccc4)no3)C2)C1=O 91585528 XUGDYEKYJMVWOH-OAQYLSRUSA-N 369.465 2.803 0 50 FFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(Cc1nnc(C(C)C)o1)C2 95382324 ZYCXWAKMGRDNBZ-JKSUJKDBSA-N 359.474 2.894 0 50 FFAA CC(C)c1noc([C@@H]2CCCN(CC(=O)NCCc3ccc(F)cc3)C2)n1 244735108 NTCFXQQVCJDDIW-MRXNPFEDSA-N 374.460 2.870 0 50 FFAA CC(C)CNC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 263615738 DZFBYAABDAHRRB-UHFFFAOYSA-N 355.486 2.597 0 50 FFAA CCC(=O)NCc1cc2n(n1)CCN(c1ccnc3c(F)cc(F)cc13)C2 299798680 QXXCERWUIAWDNJ-UHFFFAOYSA-N 371.391 2.756 0 50 FFAA COc1cccc(-c2ncc(CNC(=O)COC[C@H]3CCCO3)s2)c1 299768266 SDHSGUNBKHWVGK-OAHLLOKOSA-N 362.451 2.631 0 50 FFAA O=C(Nc1ccccc1)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1 827970072 XWFUYLZPHAXTOM-UHFFFAOYSA-N 369.421 2.819 0 50 FFAA COc1cccc2c1OCCCN(C(=O)NCCn1cnc(C)c1C)C2 584892549 NXWYBSFMFUKVHP-UHFFFAOYSA-N 358.442 2.503 0 50 FFAA Cc1ccc(CN(C(=O)NCCc2noc(CO)n2)C2CCCC2)s1 670456244 AXIZKVPECXHGMJ-UHFFFAOYSA-N 364.471 2.629 0 50 FFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc3n[nH]c(C)c3c2)cc1 1875267769 ZANBGWNDTJFPPO-CYBMUJFWSA-N 371.462 2.772 0 50 FFAA Cc1nc([C@H](C)NC(=O)N[C@H]2Cc3n[nH]cc3[C@H](C(F)(F)F)C2)[nH]c1C 1875278310 PMPOGCJUKYALPI-HOSYDEDBSA-N 370.379 2.771 0 50 FFAA CCCCN1CC[C@H](CNC(=O)c2ncccc2OCC(F)(F)F)C1 1875330471 YQDQBHMJWMGDDP-CYBMUJFWSA-N 359.392 2.875 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2nc3c(s2)CC(C)(C)CC3)C1 1875371145 QTBMBXKBGRLGOQ-CYBMUJFWSA-N 361.511 2.699 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)C(C)(C)N2CCOCC2)c1 952864074 XUUKNJLSODFZEC-IBGZPJMESA-N 360.498 2.613 0 50 FFAA O=C(c1cc2ncccn2n1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 952984014 SOTMWNGLSQAMRY-AWEZNQCLSA-N 360.421 2.701 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)CCOc2ccccc2)CC[C@@H]1C(F)(F)F 886044839 AVVZZWIYPWCOHS-DZGCQCFKSA-N 358.360 2.514 0 50 FFAA O=C(CSc1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 1565525357 GXZBJPOTVYNYKC-SJORKVTESA-N 371.458 2.884 0 50 FFAA O=C1NCCCC[C@@H]1Oc1ccc(OCc2nnc3n2CCCCC3)cc1 278637464 LCVRBNLDRMMRIY-KRWDZBQOSA-N 370.453 2.631 0 50 FFAA O=C(NCC1(O)CCCCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 170633118 VDNVZCXNDJMESK-MRXNPFEDSA-N 350.503 2.759 0 50 FFAA O=C(CCc1nnc[nH]1)Nc1nc(-c2cccc(Br)c2)c[nH]1 170614493 XWTKJTIJFDXGNE-UHFFFAOYSA-N 361.203 2.529 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)c1C 109465659 PYOBAZFPGOQIEI-UHFFFAOYSA-N 368.437 2.509 0 50 FFAA CC(C)c1cc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)nc(N)n1 1506429083 UZYMNAKDKXAUAA-UHFFFAOYSA-N 372.444 2.800 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)CC1(CO)CCC1 1506405900 OKBXWROEJDFTJL-UHFFFAOYSA-N 361.891 2.830 0 50 FFAA O[C@H]1CN(Cc2ccc3cccc(Cl)c3n2)C[C@@H]1Cc1cnccn1 1616081949 WZBKBMJQSKATNT-KSSFIOAISA-N 354.841 2.714 0 50 FFAA COc1ccc(-n2c(=O)nc(O)c3ccc(-c4ccccc4O)nc32)cc1 1848442957 PUDYPYSNBKKWCZ-UHFFFAOYSA-N 361.357 2.868 0 50 FFAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(C)cc1)CC2)C(C)C 11869127 OPWHWTOKZOYMJQ-HXUWFJFHSA-N 369.513 2.868 0 50 FFAA Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H](C)CS2(=O)=O)c1 12003678 CUPIWOQEKPQDRX-ZDUSSCGKSA-N 358.419 2.560 0 50 FFAA CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3cc(C)no3)n[nH]2)c1 12301874 VVCOIIADJWTXQS-UHFFFAOYSA-N 368.393 2.760 0 50 FFAA COc1ccc2nc(CCNC(=O)c3cn(C4CCCCC4)nn3)[nH]c2c1 12316713 SUSSODLRZJORQW-UHFFFAOYSA-N 368.441 2.641 0 50 FFAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C)C1=O 14884981 CETAKOHBRYHCNC-IERDGZPVSA-N 372.465 2.503 0 50 FFAA OCC1CCN([C@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1 19731072 CXCMHFIWZIRZHS-KRWDZBQOSA-N 354.441 2.957 0 50 FFAA O=C(CN1CCCCCC1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857677204 ZEZUFMLTCQCLIQ-NNMXDRDESA-N 370.493 2.939 0 50 FFAA CN(C)C[C@@H]1OCCN(C(=O)c2ccc(F)c(O)c2)[C@H]1c1ccccc1 1857734116 FDSKVZYKNKZEJC-OALUTQOASA-N 358.413 2.675 0 50 FFAA Cc1ccc(CN2C[C@@H]3[C@H](CNC(=O)C4CCC4)[C@H]4CC[C@]3(C2)O4)s1 1857734798 RXCUYUGPEZCLEG-JRBPQWBISA-N 360.523 2.952 0 50 FFAA CN(C)c1noc(COC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 225607531 QIZUICBWYSDILJ-VXGBXAGGSA-N 366.215 2.745 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 331954816 PPBPKFPLNHJZQP-JKSUJKDBSA-N 365.426 2.639 0 50 FFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 248257238 VAEYYEVLOMSQCX-OHYFQZGNSA-N 356.422 2.676 0 50 FFAA Cc1nccc(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)n1 363405277 FGYNHLBBZDJGRN-MRXNPFEDSA-N 352.482 2.744 0 50 FFAA CCOc1ccccc1-c1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1 262806247 SOURJTGNPMKAHT-QGZVFWFLSA-N 355.390 2.678 0 50 FFAA Cc1ccc(C)c(OCC(=O)N2CCC3(CC2)C[C@@](C)(O)CCO3)c1C 1704336845 SBZDVSJLITXMKA-FQEVSTJZSA-N 361.482 2.913 0 50 FFAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1c[nH]c3cc(F)ccc13)C2 828859624 NOBDSQSXXUOVOU-FTEYMNFISA-N 359.445 2.517 0 50 FFAA C[C@H](C(=O)O)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 2325770611 LLIYLQQVZONBRO-MNOVXSKESA-N 352.818 2.871 0 50 FFAA Cc1nc(C[C@H]2CCNC2)sc1C(=O)Nc1cn(C)nc1-c1ccco1 2325780276 UZOJDIFSTGIVDB-GFCCVEGCSA-N 371.466 2.849 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCS(=O)(=O)[C@@H](C)C3)cc2)c1C 2325780626 BRNYMBFMAHBRCZ-SWLSCSKDSA-N 361.467 2.641 0 50 FFAA NCCN(Cc1ccc(Cl)nc1)Cc1ccc(Br)nc1 2325787216 KCXNNZCAMJETPX-UHFFFAOYSA-N 355.667 2.853 0 50 FFAA Cn1ncc(C(=O)NC[C@H]2CNCc3ccccc32)c1Cc1ccccc1 2325795245 SJUBYNIXYVNJDE-GOSISDBHSA-N 360.461 2.628 0 50 FFAA CC(=O)N1CC[C@H](NCC2CC(O)(C(F)(F)F)C2)c2ccccc2C1 2325803343 BFOXVZYWJGOAMQ-PWZRNIHTSA-N 356.388 2.773 0 50 FFAA CC(C)[C@H](NC(=O)C(=O)Nc1cnn2cccnc12)c1ccc(Cl)cc1 2325818565 KNIMCEBBKSLOLZ-HNNXBMFYSA-N 371.828 2.835 0 50 FFAA CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)CCc3ccsc3)C2)n[nH]1 2325843067 SCXJJZVKEGWGAG-CQSZACIVSA-N 360.483 2.558 0 50 FFAA Cc1cnc2c(Br)c(C(=O)Nc3ccc(CCN)cc3)nn2c1 2325857201 SQKOXFIZQRWATL-UHFFFAOYSA-N 374.242 2.554 0 50 FFAA O=C(OCc1cc(=O)c(O)co1)c1ccccc1C(=O)c1ccccc1 920953669 NDLPLEQOYJWCBJ-UHFFFAOYSA-N 350.326 2.933 0 50 FFAA O=C(c1ccncc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 22521527 WTISOABRBPLVPS-UHFFFAOYSA-N 350.344 2.848 0 50 FFAA CCOC(=O)/C=C/C(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O 1893828 ZMTAEBPGQSUVNA-MDZDMXLPSA-N 372.446 2.804 0 50 FFAA O[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)CC[C@]1(O)c1ccccc1 2356152224 DWYZVVPRQHRLIT-IRXDYDNUSA-N 352.356 2.555 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1 4854473 JLVCPUCYKRSAEA-UHFFFAOYSA-N 362.451 2.571 0 50 FFAA COc1ccc(C(=O)N2CCN(c3ccc(NC(C)=O)cc3)CC2)cc1 6709951 ZXQRTHNLLHYYQN-UHFFFAOYSA-N 353.422 2.616 0 50 FFAA Cc1cccc(-c2nc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)cs2)c1 20417580 KBKWMPKWFPVPLN-SFHVURJKSA-N 371.506 2.942 0 50 FFAA CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1ccc(C)cc1 58039290 RZACZLGBFFMMIF-IRXDYDNUSA-N 352.500 2.624 0 50 FFAA COc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)c(OC)c1 100767598 XKUQFQAXRXPUPZ-MRXNPFEDSA-N 353.357 2.885 0 50 FFAA COc1cccc2cc(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)oc12 136488990 FLTREPHOUZNPKZ-HNNXBMFYSA-N 356.422 2.962 0 50 FFAA COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cc[nH]n3)CC2)c1 67649941 SHOJJTOSQUBVOY-UHFFFAOYSA-N 351.410 2.828 0 50 FFAA Cc1nnc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)o1 20783110 KWAMVDCYSSCPKF-UHFFFAOYSA-N 357.377 3.000 0 50 FFAA Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)o1 20407471 PBNFNLAVJIODHU-UHFFFAOYSA-N 365.433 2.865 0 50 FFAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cc2n(n1)CCCNC2 65431230 NFZGDLSXZVGDAD-OAQYLSRUSA-N 352.482 2.816 0 50 FFAA CN(Cc1ccc(C(=O)Nc2cnn(C)c2)cc1)Cc1cc(C2CC2)[nH]n1 65394613 GZRVYNTYUXMHTK-UHFFFAOYSA-N 364.453 2.905 0 50 FFAA CC(C)(CN1CCCCC1)NC(=O)c1cc(COc2ccccc2)[nH]n1 67514770 KQGHLTILDYRUTE-UHFFFAOYSA-N 356.470 2.983 0 50 FFAA CCn1ccc(-c2nnc(SCC(=O)O)n2-c2ccccc2Cl)n1 67773430 HPGNMVJKHTUBHW-UHFFFAOYSA-N 363.830 2.981 0 50 FFAA N=C(O)c1cnn2c1CC[C@@H](CNCc1sccc1Br)C2 328642455 RBBIBTMQYDGWDT-VIFPVBQESA-N 369.288 2.943 0 50 FFAA O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(CCn2cncn2)C1 71735550 KJSQQZICFOUKHX-AWEZNQCLSA-N 352.360 2.892 0 50 FFAA Cc1noc2ncc(S(=O)(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@H]43)cc12 333105296 DJMHLIDBQJJDOT-USXIJHARSA-N 355.419 2.538 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCCSCc3ccccc3)cnc21 77285730 ALKFJCKSMZIJFV-UHFFFAOYSA-N 355.467 2.697 0 50 FFAA C[C@H]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)sc2C1 331746677 DAONYQJTKKGCEU-DTWKUNHWSA-N 361.389 2.617 0 50 FFAA Cc1c([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cnn1-c1ccccn1 12297796 GLIWTETYIOVVCN-GFCCVEGCSA-N 350.378 2.795 0 50 FFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1csc(-c2ccc3c(c2)OCO3)n1 129403953 FSFXRDNEINKHSD-FUNVUKJBSA-N 357.435 2.552 0 50 FFAA O=C(NCc1cscn1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 375509384 BQTFJZXMBXHJGW-VIFPVBQESA-N 359.377 2.974 0 50 FFAA Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)c3ncc[nH]3)CC2=O)cc1 77357292 QGRICNHFYASEBK-IBGZPJMESA-N 374.444 2.818 0 50 FFAA O=C(O)[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccc2c(c1)CCO2 262965057 IHGRFTOGIMQGAG-LRXVAGHRSA-N 363.413 2.768 0 50 FFAA Cc1noc(C2CCN(C(=O)N[C@@H](C)CN3C[C@@H](C)C[C@@H](C)C3)CC2)n1 130989073 XZDGDQVEGZGGOB-ZNMIVQPWSA-N 363.506 2.633 0 50 FFAA COc1ccc(CCNC[C@@H](O)COc2cccc(Cl)c2)cc1OC 71767436 YNOKLXJGTNZLGU-MRXNPFEDSA-N 365.857 2.929 0 50 FFAA Cc1c(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)n[nH]c1-c1ccc(Cl)cc1 72119474 JILSIFMKKRIFLW-SFHVURJKSA-N 374.828 2.753 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCn3ccc(C)n3)CC2)OC1=O 77438496 GZIBYKADWNRENB-INIZCTEOSA-N 362.474 2.584 0 50 FFAA c1csc(CN2CCCN([C@@H]3CCOC4(CCOCC4)C3)CC2)c1 77438753 PNRLQOGNPFARAW-QGZVFWFLSA-N 350.528 2.984 0 50 FFAA O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCC1CCCCC1 289100179 PNUNIWITASLNMC-UHFFFAOYSA-N 357.498 2.577 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](OCc2cccnc2)C1 82115739 UTPKWJLMTMTDOJ-GOSISDBHSA-N 356.470 2.572 0 50 FFAA COc1ccc(CC(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)cc1 82083903 OBEIKEQZMCEDIP-UHFFFAOYSA-N 358.825 2.767 0 50 FFAA O=C(Cn1ncc2ccccc21)NC[C@@H]1CC(Cc2cccc(F)c2)=NO1 19111417 GLPRJUWNWHFKAA-SFHVURJKSA-N 366.396 2.679 0 50 FFAA Cc1cc(CN2CCC(c3cc(=O)[nH]cn3)CC2)c(C)n1-c1cccnc1 82039674 SMJLHSZYTGCBRW-UHFFFAOYSA-N 363.465 2.952 0 50 FFAA N[C@@H]1CCN(Cc2ccccc2OCc2c(F)cccc2Cl)C[C@H]1O 82098956 KPKXQRZJMYDJOT-QZTJIDSGSA-N 364.848 2.952 0 50 FFAA CC(=O)c1ccc(F)c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)c1 426602327 DDHBHVQFPZOIIH-UHFFFAOYSA-N 370.424 2.757 0 50 FFAA Cc1ccc(N2CC[C@@H](CNC(=O)c3cc(-c4cccn4C)n[nH]3)C2)cc1 91585818 GAIREWWIUYFZBE-INIZCTEOSA-N 363.465 2.980 0 50 FFAA COc1cc2c(cc1CNC(=O)[C@@H](c1ccccc1C)N(C)C)OCCO2 95502774 FMLDOTICRFTNLK-HXUWFJFHSA-N 370.449 2.694 0 50 FFAA Cc1cnccc1NCCNC(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91644979 XJNZHKLVDNNIEI-SFHVURJKSA-N 372.513 2.737 0 50 FFAA C[C@H](c1ccc(-c2cc(N)nc(N3CCCC3)n2)cc1)N1CCOCC1 97463595 DAPRMNSLVZYMQF-OAHLLOKOSA-N 353.470 2.719 0 50 FFAA Cc1ccc([C@@H](C(=O)N2CCC(N3CCSCC3)CC2)N(C)C)cc1 95376097 OZSHZWJMPNEFOR-IBGZPJMESA-N 361.555 2.638 0 50 FFAA OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1C1CCCC1 22914149 MGVXCKVXBODCOW-HXUWFJFHSA-N 354.498 2.888 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N[C@@H](CC)c1ccnn1C 426494291 CKCBUWRSVMNDFU-HNNXBMFYSA-N 353.430 2.836 0 50 FFAA O=C(O)c1ccc2c(c1)c1c(n2Cc2ccccc2)CCS(=O)(=O)C1 23550001 SMHMCJWJBNNZLK-UHFFFAOYSA-N 355.415 2.859 0 50 FFAA COc1cc(NC(=O)N(C)Cc2cc(C3CC3)[nH]n2)cc(OC)c1OC 96133230 GMXGCFCOBZWKCQ-UHFFFAOYSA-N 360.414 2.977 0 50 FFAA CCNC(=O)[C@H]1CCN(c2cc(N)nc(SCc3ccc(C)cc3)n2)C1 95355827 LCSYNVWJOOTEKN-HNNXBMFYSA-N 371.510 2.622 0 50 FFAA Cc1ccc(F)cc1CN1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 95379673 QCANNCKECZZPMY-WIYYLYMNSA-N 360.473 2.720 0 50 FFAA COc1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)c(C)c1C 91830971 ZKHHMXNUJXESDZ-UHFFFAOYSA-N 374.525 2.899 0 50 FFAA O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(Cn2cccn2)c1 91726137 KOSSKDHLBIUYNS-UHFFFAOYSA-N 363.396 2.919 0 50 FFAA O=C(N[C@H](C(=O)O)c1ccccc1Cl)c1cc(=O)[nH]c2ccccc12 95508712 YWSRQLLXVAOFQR-INIZCTEOSA-N 356.765 2.737 0 50 FFAA N[C@H]1CC[C@@H](n2cc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)nn2)CC1 244898844 ZCNUNEZOQWQOAL-HDICACEKSA-N 369.444 2.789 0 50 FFAA O=C(N[C@H]1CCc2ccccc2C1)C1CCN(C(=O)c2ccccn2)CC1 244741873 NYGDRIDPXICAEC-IBGZPJMESA-N 363.461 2.608 0 50 FFAA COc1ccc(-c2ccc(C(=O)N3CCO[C@@H](CC(=O)O)C3)c(F)c2)cc1 299748007 FUHGGCRCPNVTGR-INIZCTEOSA-N 373.380 2.817 0 50 FFAA COCC1(NC(=O)NC[C@@H](O)COc2ccc(Cl)c(C)c2)CCCC1 534592074 VIVXAEACVULVAB-CQSZACIVSA-N 370.877 2.647 0 50 FFAA O=C1c2c(-c3nc(-c4ccccc4)no3)nnn2CCN1Cc1ccccc1 263615152 AVSAUGJPENHISK-UHFFFAOYSA-N 372.388 2.651 0 50 FFAA COc1cccc(N2CCN(C(=O)c3cccc4c3COC4)[C@@H](C)C2=O)c1 1940197598 BJAGJXMKCHUMBY-AWEZNQCLSA-N 366.417 2.603 0 50 FFAA Cc1cnc2c(C(=O)N3CCC[C@@H](c4nc(CC(C)C)no4)C3)cnn2c1 65393892 LVTFOYWTYYEFLL-CQSZACIVSA-N 368.441 2.639 0 50 FFAA CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1 165563187 ITJPNBDIPYNEQY-NSHDSACASA-N 350.390 2.747 0 50 FFAA CC1(C)Cc2c(cnn2-c2ccccn2)CN(CCOCC(F)F)C1 952891259 CUWVNCCOGVDFLZ-UHFFFAOYSA-N 350.413 2.933 0 50 FFAA O=C(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)NCc1ccncc1 1875358925 NHDFFXXBHAGCGK-VQTJNVASSA-N 359.429 2.771 0 50 FFAA CO[C@@]1(c2nnc(-c3ccc(Cn4nc(C)cc4C)cc3)o2)CCOC1 886085315 CXVWSHGKHZKXGO-IBGZPJMESA-N 354.410 2.860 0 50 FFAA COc1ccc([C@H]2CN(C(=O)NCc3ccccc3)C[C@@H]2NC(C)=O)cc1 1565527967 LPJCEKSCIPKMPH-UXHICEINSA-N 367.449 2.509 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@H](C)Oc2cccc(F)c2)cnn1C 275328434 FQBYBEJHZIKWKL-IWEFOYFVSA-N 361.417 2.529 0 50 FFAA Cn1cncc1[C@@H]1C[C@H](NCc2cc(Cl)c3c(c2)OCCO3)CCO1 275563506 NZZNMFMWLOLCSA-CJNGLKHVSA-N 363.845 2.855 0 50 FFAA CCc1c(C(=O)CN2CCN(c3cccs3)C(=O)C2)[nH]c(C)c1C(C)=O 170597080 RERJGFRZFWFCFI-UHFFFAOYSA-N 373.478 2.681 0 50 FFAA C[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2CN2CCCCCC2)C1 170597866 ANCQCFNAOLCDHF-SFHVURJKSA-N 371.525 2.937 0 50 FFAA CC(C)c1nnc(S)n1CCNC(=O)c1c(F)c(F)cc(F)c1F 170651922 VXIZPJRTCPFOSW-UHFFFAOYSA-N 362.352 2.677 0 50 FFAA COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3n[nH]c4c3CCCC4)C2)c1 188412979 BBHDNCCJQQRZFB-CQSZACIVSA-N 369.465 2.864 0 50 FFAA Cn1c(S)nnc1CNC(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 225444802 SHFSUBRLNLRVML-DOXZYTNZSA-N 356.495 2.769 0 50 FFAA Cc1nn(C)c(C)c1Cc1nc(-c2ccc(N3CCOC3=O)cc2)no1 225592039 LAWYOTCJMBAUHI-UHFFFAOYSA-N 353.382 2.634 0 50 FFAA O=C(Cn1ccc(-c2nccs2)n1)Nc1ccccc1N1CCCC1=O 225501207 IXOWZOITOPGZNO-UHFFFAOYSA-N 367.434 2.772 0 50 FFAA NC(=O)c1ccccc1CC(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 190917477 YUCCOKJQSDMRHK-UHFFFAOYSA-N 361.405 2.629 0 50 FFAA COc1ccc2c(c1)CN(C(=O)NCCCc1nc(C(C)C)no1)CC2 195095958 ZFPWIUZGWOYMAZ-UHFFFAOYSA-N 358.442 2.902 0 50 FFAA O=C1CO[C@H](C(=O)NCCC2=CCCCC2)[C@@H](c2ccccc2Cl)N1 1529187631 WNXDQAAICJUAMY-MSOLQXFVSA-N 362.857 2.903 0 50 FFAA O=C(c1ccc2nc[nH]c2c1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529155442 SKZFCUJDUIBWFG-IERDGZPVSA-N 372.428 2.787 0 50 FFAA C[C@@H](c1cn(-c2ccccc2)nn1)N1CCN(Cc2ccc(O)cc2)CC1 1473735209 VBLLCNTZPNWFOK-KRWDZBQOSA-N 363.465 2.852 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)CCn2nnc3ccccc32)C[C@@H]1O 212701107 YMPPLEYVQPWAMH-YOEHRIQHSA-N 370.478 2.568 0 50 FFAA CC(C)c1ccc(CN2CCC[C@](O)(CN(C)C3CCOCC3)C2=O)cc1 12075843 SHLOFDFHYQUPEY-QFIPXVFZSA-N 374.525 2.774 0 50 FFAA CN(C)CCOc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1 12387275 VCUVOVTXFBZFBR-UHFFFAOYSA-N 373.541 2.898 0 50 FFAA Cc1nc(CNC(=O)c2cn(Cc3c(F)cccc3F)nn2)sc1C 12571398 BDFMQPZAXPZASZ-UHFFFAOYSA-N 363.393 2.608 0 50 FFAA CCN(CC)CC(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 12577773 DQWDFRZXLZHYEL-UHFFFAOYSA-N 363.521 2.880 0 50 FFAA Cc1ccccc1-c1noc(-c2ccc(NC[C@@H]3COCCO3)nc2)n1 14956257 MCQIYJOHBWKUAN-OAHLLOKOSA-N 352.394 2.934 0 50 FFAA CCOC(=O)CNC(=O)NCc1cccnc1Oc1c(C)cccc1C 15065374 ILEYREBIQQINPV-UHFFFAOYSA-N 357.410 2.853 0 50 FFAA O[C@H](COc1ccccc1CNCCc1ccncc1)CN1CCCCC1 19225871 MRUMGGJVKCRLGG-NRFANRHFSA-N 369.509 2.640 0 50 FFAA COCCN1CC[C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 150850336 GNSDENNUFYBLJK-KRWDZBQOSA-N 374.506 2.600 0 50 FFAA CCC(=O)NC[C@H]1[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@]23CC[C@H]1O3 1857712015 DEDUVNMLVKMIQO-FCZZECIWSA-N 366.864 2.985 0 50 FFAA O=C(Cc1cccnc1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225404583 UGVJWQMTFALFDP-CZUORRHYSA-N 350.340 2.977 0 50 FFAA CCn1ccnc1CN(C(=O)c1oc(C)cc1C)[C@@H]1CC12CCNCC2 328627870 GRIANQONVLJXAE-MRXNPFEDSA-N 356.470 2.897 0 50 FFAA Cc1cn(C)nc1C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 331723957 LYYJNMUDULWFFS-UKRRQHHQSA-N 354.237 2.766 0 50 FFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(C/C=C/c3ccco3)C2)nn1 12512800 GRESQWXTEJPXPV-FSNWXROXSA-N 357.458 2.703 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)NCc3ccc(C(=O)O)cc3)ccc2O1 261631785 DVLYYAAHRAOYEV-UHFFFAOYSA-N 361.419 2.577 0 50 FFAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F 262077361 DMWYXMRKTOOTMO-SECBINFHSA-N 357.737 2.597 0 50 FFAA O=C1O[C@@H](CSc2n[nH]c(-c3cccnc3)n2)CN1c1ccccc1 163658992 FKYZWLYAOAZPFP-CQSZACIVSA-N 353.407 2.984 0 50 FFAA O=C(NCCCN1CCCC1=O)c1cc(Br)ccc1Cl 4749135 MTXXBZRZTJEUTC-UHFFFAOYSA-N 359.651 2.845 0 50 FFAA C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCC[C@@H]1c1nn[nH]n1 900393913 RVJIYPFCHOWRNT-GOEBONIOSA-N 350.426 2.782 0 50 FFAA COc1ccc(-c2n[nH]cc2CN2C[C@H](C(=O)O)CC(F)(F)C2)cc1 2325773406 UMEUIRKZGPOTKH-GFCCVEGCSA-N 351.353 2.627 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@]34CC[C@@H](C3)S(=O)(=O)CC4)cc2)c1C 2325780878 WCCBCDHLKJGSIV-PKOBYXMFSA-N 373.478 2.785 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](c3ccn(C)n3)C2)cc1 2325889961 IHJTXWQDJKXBRS-MRXNPFEDSA-N 352.438 2.589 0 50 FFAA CCN1C(=O)N[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)OC)=C1C 795930 VCRRUCFDNVNOMU-ZDUSSCGKSA-N 354.790 2.587 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccccc2)c1 862252 UZEMGGDRUFCVPZ-LBPRGKRZSA-N 357.362 2.666 0 50 FFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccccc2F)cc1 869476 BJWJMXSCIRDWJB-UHFFFAOYSA-N 362.426 2.608 0 50 FFAA CCOC(=O)C1CCN(C(=S)Nc2ccc(OC)cc2OC)CC1 986447 DNBZTZCUZCTAPD-UHFFFAOYSA-N 352.456 2.676 0 50 FFAA CC[C@H](C)c1ccc(OCC(=O)NN2C(=O)c3ccccc3C2=O)cc1 1215744 MCNVNMXLBZVQCP-ZDUSSCGKSA-N 352.390 2.906 0 50 FFAA CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(Cl)cc1)C(N)=O 2311927 FEBUOIYLPGUNSJ-LBPRGKRZSA-N 363.738 2.539 0 50 FFAA CCNC(=O)[C@H]1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356155784 MPXVTRJJVSZXPO-NSHDSACASA-N 363.801 2.656 0 50 FFAA NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCC2 4150413 JTUBJJWMUUKQGL-WDEREUQCSA-N 364.467 2.945 0 50 FFAA O=C(NCc1ccccc1Cl)c1c(O)c2cccc3c2n(c1=O)CC3 100621229 CAMVHGCUNQOPMM-UHFFFAOYSA-N 354.793 2.847 0 50 FFAA c1ccc(CN(Cc2nc(-c3ccccn3)no2)C[C@@H]2CCCO2)nc1 55225916 NNKFHCWTSOJOOG-INIZCTEOSA-N 351.410 2.708 0 50 FFAA COc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613760 TZQBHBISDGJWEB-UHFFFAOYSA-N 350.374 2.914 0 50 FFAA CC(=O)NCCCN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 117889572 BXONAGRPVWQRCS-LJQANCHMSA-N 357.429 2.964 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 20205791 TZNNVBMOFGAZCN-LJQANCHMSA-N 367.537 2.609 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@]1(C)CCCNC1 67935003 APSBIJKKDIZFPF-FQEVSTJZSA-N 355.438 2.888 0 50 FFAA COc1cccc(-c2noc3c2CN(CC(=O)NCc2ccco2)CC3)c1 67673070 MNECXULSNCGJHG-UHFFFAOYSA-N 367.405 2.618 0 50 FFAA CC(=O)N1CCc2c(nc(N(C)C)nc2NCc2ccc(Cl)cc2)C1 71753707 IQMCVPPNGNEDLP-UHFFFAOYSA-N 359.861 2.713 0 50 FFAA CC[C@H](C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1)n1cccn1 67947316 MNGCCVBQGLJGNJ-QGZVFWFLSA-N 353.401 2.948 0 50 FFAA O=C([C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1)N1CCOCC1 253369737 HOMYLKIBNCSMSH-HJHGLYDVSA-N 368.477 2.718 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)CCc2ccccc2)CC1 77453477 TXBSVTRKMXGRDI-UHFFFAOYSA-N 369.513 2.698 0 50 FFAA Cc1cc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)no1 328602927 DEMRTVNOXYTOGZ-RBUKOAKNSA-N 366.421 2.905 0 50 FFAA CC(C)n1cc([C@H]2OCC[C@@H]2C(=O)N2CCn3c2nc2ccccc23)cn1 328628993 OIDWFMVNLKOLGZ-MAUKXSAKSA-N 365.437 2.938 0 50 FFAA CN1CCN(CC[C@H]2CCCCN2C(=O)c2cnc3ccccc3c2)CC1 218795853 HJFUVVIQSZMJCO-HXUWFJFHSA-N 366.509 2.867 0 50 FFAA CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCCc1nc2cc(F)ccc2[nH]1 174508212 MJMZLVNCCIHQNF-INIZCTEOSA-N 374.460 2.788 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@@H]([C@H]2CCOC2)C1 333047388 GJSJGNUULFPIFW-CABCVRRESA-N 358.467 2.773 0 50 FFAA Cc1n[nH]c(CCC(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)n1 14956949 NAWQPXOBAVZHPS-OAQYLSRUSA-N 373.545 2.941 0 50 FFAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2c(c1)CCN2C(=O)C(C)(C)C 371931973 PWXWYQWGNXUHSN-KSSFIOAISA-N 369.509 2.834 0 50 FFAA COc1cc2nc(CN3CCc4cccc(F)c4C3)[nH]c(=O)c2cc1OC 157940910 HILARMNIGSTERG-UHFFFAOYSA-N 369.396 2.638 0 50 FFAA O=C(CCCCc1c[nH]nn1)Nc1cccn(Cc2ccc(F)cc2)c1=O 158178838 WGUMQYFMOBPOJJ-UHFFFAOYSA-N 369.400 2.505 0 50 FFAA Cc1cc(-n2cccn2)ccc1CN1CC[C@@](O)(CN2CCCCC2)C1 77341906 NFDUTVVCPSNRCE-OAQYLSRUSA-N 354.498 2.603 0 50 FFAA CCc1nccn1CCCNc1nc(-c2cccnc2)nc2c1cnn2C 72165492 KBIPBXQLMHVMBX-UHFFFAOYSA-N 362.441 2.686 0 50 FFAA C[C@@H](C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCOCC1 72453465 OCHMTNINEKZJTE-ZDUSSCGKSA-N 352.862 2.619 0 50 FFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN([C@H](C)COC)CC2 14733495 LLSNOCHFCLQZHQ-MRXNPFEDSA-N 371.481 2.696 0 50 FFAA O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 17076581 RHNLMMNMLNXGEK-STQMWFEESA-N 374.418 2.877 0 50 FFAA CC(C)c1cc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)n[nH]1 43131313 ZPNUCKOGEHGVNG-GOSISDBHSA-N 360.477 2.741 0 50 FFAA O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCC2(CCNCC2)C1 426444866 DCFPSZLWQAZTEV-HXUWFJFHSA-N 370.541 2.999 0 50 FFAA Cc1nc(O)c2c(n1)CCN(C(=O)Nc1ccc(C)c3ncccc13)CC2 426415297 HUKKGGLZXARESI-UHFFFAOYSA-N 363.421 2.980 0 50 FFAA COc1cccc(CCC(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)c1 82138421 LDLNAINFJQKRJE-UHFFFAOYSA-N 368.433 2.512 0 50 FFAA O=C(NC1CCN(CCc2ccccc2)CC1)c1cc(C(F)(F)F)n[nH]1 426399331 CDGLFCAIPIEYIJ-UHFFFAOYSA-N 366.387 2.865 0 50 FFAA CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3ccc(O)c(C(C)=O)c3)c2)C1 426412109 BCHFMMKLJITVRI-SFHVURJKSA-N 366.417 2.612 0 50 FFAA COCCn1cncc1CNC(=O)c1cccc(-c2nccn2C(C)C)c1 426478023 NXYSUPMGJFLFKL-UHFFFAOYSA-N 367.453 2.904 0 50 FFAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)CCCc2ccc(Cl)cc2)C1 91563445 HDNCZMCDEYGCGP-SJORKVTESA-N 352.906 2.681 0 50 FFAA O=S1(=O)CC[C@@H](n2nc(-c3ccccc3)nc2CSCC2CC2)C1 96140830 RYXOKRWSIZOXNU-OAHLLOKOSA-N 363.508 2.948 0 50 FFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95528718 MXCOXDBJCMSNRX-KRWDZBQOSA-N 354.454 2.512 0 50 FFAA C[C@@H](CN1CCCCC1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 92061790 TVALRROVIHQOCZ-INIZCTEOSA-N 370.497 2.534 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)c1ccccc1-n1cccn1 95357625 VAXZKGSTAOKIFF-CYBMUJFWSA-N 350.426 2.528 0 50 FFAA CCN1CCC[C@@](C)(C(=O)NCCc2csc(-c3ccncc3)n2)C1 95372393 SRHRREBBEPFBPT-LJQANCHMSA-N 358.511 2.986 0 50 FFAA Cc1ccc(-c2cc(C(=O)N(Cc3cocn3)Cc3cocn3)[nH]n2)o1 97743059 YIUYIWFMRWGGEO-UHFFFAOYSA-N 353.338 2.797 0 50 FFAA O=C(c1cccc(-n2cnnc2)c1)N1CCN(C/C=C/c2ccccc2)CC1 91649897 BOEATDVAIJVSML-VMPITWQZSA-N 373.460 2.739 0 50 FFAA CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)C1CC1 95521328 BYXMUHXNQSGUIM-INIZCTEOSA-N 354.491 2.504 0 50 FFAA Cc1nc(NCc2cc3n(n2)CCN(CC(C)C)C3)c2cccnc2n1 95392317 OSZLAUNJWPZMKG-UHFFFAOYSA-N 351.458 2.613 0 50 FFAA Cc1ccsc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95525134 RYITWZHGUJYMPG-GXTWGEPZSA-N 361.492 2.776 0 50 FFAA CC(C)(C)c1cc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)n(-c2ccccc2)n1 97323938 ULRWORDOJQXNJL-ZDUSSCGKSA-N 374.466 2.602 0 50 FFAA CC(=O)c1cc(CC(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)cs1 97679979 KUELIAVBFYXXLL-IBGZPJMESA-N 369.486 2.971 0 50 FFAA CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(OC)c(F)c2C)o1 181700408 NFAFGKLNRIQIGV-ZDUSSCGKSA-N 371.430 2.964 0 50 FFAA O=C(NCCc1nc(-c2ccccc2)cs1)c1cnc(C2CC2)[nH]c1=O 91364777 YNIUCHUMTPTDJV-UHFFFAOYSA-N 366.446 2.743 0 50 FFAA CC(C)CN1C[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)CCC1=O 91616275 UJTFIZDXUVVKMG-AWEZNQCLSA-N 364.873 2.824 0 50 FFAA O=C(Nc1ccc(-n2ccnc2)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 96131712 DHUOHRZIUPYAOM-IBGZPJMESA-N 369.469 2.637 0 50 FFAA CSCCc1nc(-c2ccc(CN3CCCCC3)cc2)n(CCO)n1 96162218 MKUQZYMHOFXHNX-UHFFFAOYSA-N 360.527 2.829 0 50 FFAA Cc1nnc(CCNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)s1 244882593 XUTSLIYZRNQDPO-KRWDZBQOSA-N 362.474 2.872 0 50 FFAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cccc2c1OCCO2 244795635 RKLWFWXYFYRCFA-BQFCYCMXSA-N 353.418 2.570 0 50 FFAA O=C(CN1CCCC2(CCOCC2)C1)Nc1ccc(Cl)c(C(=O)O)c1 243892346 AGODVXJFTMAWQR-UHFFFAOYSA-N 366.845 2.869 0 50 FFAA O=C1NC[C@@H](NCc2ccc(F)cc2F)n2nc(-c3ccc(F)cc3)cc21 263619160 XGNPMPXACNUCSN-SFHVURJKSA-N 372.350 2.999 0 50 FFAA CC(C)Oc1cccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)c1 534640038 ZNYLZXFSFUEKNO-UHFFFAOYSA-N 359.470 2.628 0 50 FFAA Cc1ccc(-c2noc(CCNC(=O)[C@H]3CC(=O)OC34CCCC4)n2)cc1 299763177 YUWAVNXYDAKGPL-OAHLLOKOSA-N 369.421 2.580 0 50 FFAA Cc1ccn2cc(CN3CCc4nnc(-c5ccccc5)n4CC3)nc2c1 299773737 FOTLWOJEQFEKFV-UHFFFAOYSA-N 358.449 2.960 0 50 FFAA CCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 299799039 WYZZQIRZSFFWGT-UHFFFAOYSA-N 371.441 2.976 0 50 FFAA CCc1nc(CNC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cs1 823577403 UKZVMUBACVIIST-UHFFFAOYSA-N 356.451 2.674 0 50 FFAA CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)N[C@H](C)c1nc(C)no1 584899475 YLISQBCJVLUIGI-LLVKDONJSA-N 372.429 2.598 0 50 FFAA CCCn1cnnc1CN(C)C(=O)NCCc1nc2ccccc2s1 584903216 SWCLCJLWFBLUOH-UHFFFAOYSA-N 358.471 2.682 0 50 FFAA Cc1nc(CCN(C)C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)no1 584886934 YLCKXINSJJPMEO-UHFFFAOYSA-N 353.304 2.588 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)NC[C@H](CO)Cc1ccco1 670446521 JNNBMMWBUFUVFD-CYBMUJFWSA-N 366.845 2.934 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H](Cn2cccn2)c2ccccc2)s1 670460148 NDQDJLCSJFGSIZ-AWEZNQCLSA-N 359.480 2.693 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)nc(O)n1 670444633 OKSFSRDTCHKVTE-CQSZACIVSA-N 374.510 2.837 0 50 FFAA Cc1cccc2[nH]cc(CCNC(=O)NC[C@H](CO)Cc3ccccn3)c12 952875995 KOMLRNCYWWYGKC-MRXNPFEDSA-N 366.465 2.564 0 50 FFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848536 OOWGQCOBAQUHRX-KGLIPLIRSA-N 359.861 2.940 0 50 FFAA O=C1NC[C@H](Cc2ccc(F)cc2)C(=O)N1Cc1cnn(CC2CCC2)c1 1875290085 QTUOWPSVLIZMGK-KRWDZBQOSA-N 370.428 2.733 0 50 FFAA COC(=O)c1ccc2c(c1)CN(C(=O)Cc1cnc3c(C)cccn13)CC2 1875272165 PRGSXTSHEJBLED-UHFFFAOYSA-N 363.417 2.557 0 50 FFAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CC(C)(C)Oc3ccccc32)CC1 1875365851 AHTIOJMEHQEWAZ-MRXNPFEDSA-N 356.466 2.872 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CC3(CCSCC3)C[C@H]2CO)c1 1875380557 SBKJHZJNPIJRFC-INIZCTEOSA-N 360.479 2.531 0 50 FFAA C=CC(=O)N1CCN(C(=O)c2cc3c(C(C)C)nn(C)c3s2)[C@@H](C)C1 1875381530 XTTYYUKDLDEWBX-LBPRGKRZSA-N 360.483 2.617 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3Cn3cccn3)n[nH]c21 1875393353 LFJZLWLGHDYSFN-KGLIPLIRSA-N 365.437 2.607 0 50 FFAA COc1cccc(CCNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)c1F 1875314655 KVHZPCCRGOPEGI-NEPJUHHUSA-N 361.417 2.563 0 50 FFAA Cc1cc(NC(=O)c2csc(Cc3ccc(F)cc3)n2)n2ncnc2n1 1459945811 QOZFBMOTILRSAO-UHFFFAOYSA-N 368.397 2.871 0 50 FFAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCN(C(=O)C2CCC2)CC1 952987924 OTFNQEAPEYMIOR-HNNXBMFYSA-N 371.481 2.756 0 50 FFAA O=C(CCc1nc(Cl)n[nH]1)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 1073369730 ODKOOHZBYBGOCA-HOTGVXAUSA-N 373.888 2.514 0 50 FFAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[C@H]1CC(=O)c1cnn(C)c1)CO2 186197107 QKRFVBAZLZGPEQ-FUHWJXTLSA-N 367.449 2.777 0 50 FFAA CC(C)c1nnc([C@@H]2CN(C(=O)c3ccnc4ccccc34)CCO2)o1 275317558 IVPXRWKUNJTPLQ-INIZCTEOSA-N 352.394 2.955 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncncc1Br 275360680 BAIGVAIGSGOMMR-RYUDHWBXSA-N 352.236 2.788 0 50 FFAA C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC(O)(c2ccc(F)cc2)C1 170599854 IAMGBWWDENFEQP-LLVKDONJSA-N 350.340 2.634 0 50 FFAA CCCS(=O)(=O)[C@@H](C)C(=O)n1ccc(C)c/c1=N\C1CCCCC1 170626325 YKKAXXHKFXNKQK-UHHPSXQGSA-N 352.500 2.883 0 50 FFAA CN(Cc1noc(-c2ccccc2)n1)[C@@H]1CCN(Cc2ccccc2)C1=O 191770838 IZSWIQIXCNRSIG-GOSISDBHSA-N 362.433 2.970 0 50 FFAA Fc1cnc(NCCCn2ccc3ccccc32)nc1N1CCOCC1 1529168410 BXAQDDSBOCNKHA-UHFFFAOYSA-N 355.417 2.909 0 50 FFAA Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)n([C@@H](C)C2CC2)n1 1529185054 ILQJBXGDHYBSDY-ZDUSSCGKSA-N 351.410 2.511 0 50 FFAA Cc1ccc2c(C(=O)NCc3noc(-c4c(F)cccc4F)n3)cnn2c1 1772710796 SLKABTQRBDSKPN-UHFFFAOYSA-N 369.331 2.901 0 50 FFAA COCCN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 11843031 UUNBFTNHXNLPJF-CQSZACIVSA-N 372.387 2.549 0 50 FFAA O=C(c1cscn1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12055290 CKVCJVVPLHFHEX-IBGZPJMESA-N 373.453 2.937 0 50 FFAA CCN1CCC(N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 12708634 ZRQJUEFVAFTCNQ-FQEVSTJZSA-N 367.497 2.760 0 50 FFAA CCNC(=O)[C@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 12744788 UPKBCDJMLMFYEF-HNNXBMFYSA-N 356.470 2.645 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2=O)c1 15072209 WYCKFQGDWJBCKV-NRFANRHFSA-N 365.481 2.695 0 50 FFAA CO[C@H]1C[C@@H](CNC(=O)c2cccc(Cl)c2C)N(c2cc(C)ncn2)C1 1857530491 VUTZRKLVGHOFTM-GJZGRUSLSA-N 374.872 2.771 0 50 FFAA CCNC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)C1CCOCC1 1857674012 XGNKHMTXHBGOSL-NNMXDRDESA-N 370.493 2.542 0 50 FFAA CC(C)n1cncc1CN1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857726668 BOSYTXKKGJLLKH-ZVDOUQERSA-N 366.465 2.738 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2[nH]c3ccccc3c2Br)C1 237655158 CVMIPMCYEKAWBP-HNNXBMFYSA-N 351.200 2.867 0 50 FFAA NC(=O)COc1cccc(CNC(=O)N2CCC(C3CCCC3)CC2)c1 363581736 JSQDBGBBMMATMZ-UHFFFAOYSA-N 359.470 2.663 0 50 FFAA NC(=O)C1(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CCCCC1 157819891 ALWARIVJNIQWJC-UHFFFAOYSA-N 365.433 2.602 0 50 FFAA NCc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c1 832223767 VIAXWMPBLVBCPF-HNNXBMFYSA-N 357.841 2.786 0 50 FFAA CCOC(=O)N1CCC(N2CCCN(c3nc4ccccc4o3)CC2)CC1 2100545653 ZQWIOPNVRCHOCU-UHFFFAOYSA-N 372.469 2.961 0 50 FFAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)O)c2C(N)=O)C1 4894623 IFFHCVHIGTVBEE-UCUJLANTSA-N 350.440 2.577 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)C[C@H]3CNC4(CCOCC4)C3)cc2)c1C 2325795773 XXQACQSWJNGRDC-QGZVFWFLSA-N 368.481 2.976 0 50 FFAA CC1=C(CNC(=O)Cc2csc3cc(C)sc23)S(=O)(=O)CCO1 2325806335 HNISONWHRSDKOY-UHFFFAOYSA-N 371.505 2.606 0 50 FFAA Cc1cccc(C)c1S(=O)(=O)NC(=O)[C@H](N)c1ccc2ccccc2c1 2325871513 OMWOGXBFKODNHB-GOSISDBHSA-N 368.458 2.962 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(c3nnc(C)s3)CC2)c1 2325885893 DXGWQLVPWHUZTM-UHFFFAOYSA-N 372.450 2.696 0 50 FFAA C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)C[C@H](C)O1 990394 NAASPTLJCZUNCS-GJZGRUSLSA-N 374.462 2.737 0 50 FFAA COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C 1160322 ZKMCPWDEOOBKBX-UHFFFAOYSA-N 372.406 2.593 0 50 FFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 1300747 YIBYPDYJGDVIJJ-GOSISDBHSA-N 352.419 2.741 0 50 FFAA CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2)c1 7654401 RHCALMIPDSZOIA-UHFFFAOYSA-N 356.806 2.982 0 50 FFAA CC1CCC(N2CCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)CC2)CC1 115255103 WGAUVTLEQPLPJX-LEOMRAHMSA-N 355.482 2.835 0 50 FFAA Cc1nnc(SCC(=O)N[C@@H](C)CN2CCc3ccccc3C2)s1 55211218 SKVSLUHQSHZPHB-LBPRGKRZSA-N 362.524 2.502 0 50 FFAA CC(C)Nc1ccnc(N2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 106950408 BHPSRLWVMOJFQT-SFHVURJKSA-N 373.476 2.509 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2nnc3ccccn23)C1 20746174 CUCKOBFNQCJSEH-OAHLLOKOSA-N 374.448 2.944 0 50 FFAA CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 56290901 ZOTYMCQQZLDFFP-UHFFFAOYSA-N 367.449 2.725 0 50 FFAA CCn1cc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cn1 20907279 VEAPUAFPMKLBSZ-LJQANCHMSA-N 371.504 2.829 0 50 FFAA Cc1nnc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)s1 23625652 SKIZZEUKROHURH-UHFFFAOYSA-N 363.402 2.798 0 50 FFAA CN(C)[C@H](c1ccc2c(c1)OCO2)c1nc(CCc2ccccc2)n[nH]1 65460331 FWAZHRFWNKBSDX-LJQANCHMSA-N 350.422 2.970 0 50 FFAA OC[C@@H](O)CN1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 67805702 OIEWYJSLBQEQHC-HNNXBMFYSA-N 371.458 2.822 0 50 FFAA CC[C@@H](NC(=O)CC(=O)Nc1ccc(C)c(Cl)c1)c1nc(C)no1 65526118 OATWAXFBAHHHMZ-CYBMUJFWSA-N 350.806 2.936 0 50 FFAA Cc1cc(C)c(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)c1 128311963 OVWPJVJPMIRUFK-QAETUUGQSA-N 367.449 2.540 0 50 FFAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1nc2ccccc2n1CCC(C)C 65410338 ZGOQJMIGJOBVHN-MAUKXSAKSA-N 359.470 2.581 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)NCc1c(C)cc(C)nc1OC)C2 66779672 COAMTKUTOXWIMF-OAHLLOKOSA-N 356.422 2.583 0 50 FFAA Cc1nn(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 123295923 PFVKLZYAGIXQBO-HIFRSBDPSA-N 353.344 2.695 0 50 FFAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCO3)C[C@H](c2ccsc2)O1 329408915 BCJKMPANPMLFAQ-BDJLRTHQSA-N 367.448 2.628 0 50 FFAA O=C(NCc1nnc(C2CC2)s1)N1CCCN2c3ccccc3C[C@H]2C1 333950422 YDWBBDZRNCLDPZ-HNNXBMFYSA-N 369.494 2.762 0 50 FFAA O=C(NC[C@H]1CCCN(CCCn2cccn2)C1)c1cc2ccccc2[nH]1 11933222 RUQWGRIUHUGMDU-QGZVFWFLSA-N 365.481 2.897 0 50 FFAA CC(C)N1CCO[C@@H](c2nc(C[C@H](C)N(C)C(=O)OC(C)(C)C)no2)C1 253432010 VJBZMGIPPWTZTQ-UONOGXRCSA-N 368.478 2.649 0 50 FFAA O=C(O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1 846290 MBKIFDZRLANKGM-AWEZNQCLSA-N 374.245 2.968 0 50 FFAA C[C@H](NC(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1)C(=O)NC(C)(C)C 360487003 ADKBXMCRNYLGHE-KGLIPLIRSA-N 369.469 2.807 0 50 FFAA CCOC(=O)c1cc(C(=O)Nc2ccc(Br)cc2)nn1C 2764981 WEMAJLFNHGMWMW-UHFFFAOYSA-N 352.188 2.612 0 50 FFAA CCOc1cc2c(cc1CN1CCN(Cc3noc(C)n3)CC1)CCC2 215805216 PQVBGEDOKMKIBG-UHFFFAOYSA-N 356.470 2.583 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)n(C)n1 12217224 YDVFKCARIWHWRU-MSOLQXFVSA-N 372.513 2.762 0 50 FFAA C[C@H](C1CCN(C(=O)c2ccccc2N2CCCC2)CC1)N1CCOCC1 72422717 NVFLRMQFFXKYMZ-GOSISDBHSA-N 371.525 2.860 0 50 FFAA CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3cc(Cl)cn3)CC2)OC1=O 77286015 QEHNUKXJCSOYTO-CYBMUJFWSA-N 368.865 2.539 0 50 FFAA Cn1ccnc1CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 77357823 YEKODGDARBBPAM-HNNXBMFYSA-N 351.447 2.735 0 50 FFAA O=C(c1cc2ccccc2nc1O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 364414010 FQZINEJPJPDWMV-OAQYLSRUSA-N 359.385 2.676 0 50 FFAA C[C@@H](NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2)C1=CCN(C)CC1 332884873 PYUGEBZLDLALPF-WBVHZDCISA-N 372.517 2.501 0 50 FFAA Brc1cnn([C@H]2CCCCO2)c1I 74937933 HOPMYZSOSLJDAT-SSDOTTSWSA-N 356.989 2.949 0 50 FFAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cc(=O)c(OC)c[nH]2)C1 71711990 XDEJADCKEXEOPU-ZDUSSCGKSA-N 374.412 2.626 0 50 FFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2cccn(C)c2=O)cc1 215354647 HWKIVZBSEAPCDW-UHFFFAOYSA-N 363.417 2.632 0 50 FFAA CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2)C1 239637042 BIKILUHCWJJZTE-HKUYNNGSSA-N 374.481 2.634 0 50 FFAA Cc1n[nH]cc1C1CCN([C@@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 375361298 JRTOOKUPNPYAAW-LBPRGKRZSA-N 368.441 2.507 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)Cn3cc(C)cn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72137106 OFTBARRNNSYQCW-CEMLEFRQSA-N 364.493 2.589 0 50 FFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 15363170 WCPOKWQNEPNWEN-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(Cc2cccc(O)c2)C1 72436074 ILXIXKBUULCNLA-GOSISDBHSA-N 369.513 2.886 0 50 FFAA O=C(NC[C@H]1CCOC1)c1coc(COc2cccc3cccnc23)n1 71748613 OMXMTPFDJAXTJV-CYBMUJFWSA-N 353.378 2.568 0 50 FFAA Cn1c2c(cc(C(=O)N[C@H](c3cccnc3)C(F)(F)F)c1=O)CCCC2 215138826 VYDKPFLFBPZBQA-OAHLLOKOSA-N 365.355 2.693 0 50 FFAA Cc1ccc2c(CN3CCN(CCc4ccncc4)CC3)cc(=O)oc2c1 20724410 ZMEMODTVEQGSLP-UHFFFAOYSA-N 363.461 2.857 0 50 FFAA biogenic CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cnc(C(C)(C)C)[nH]c1=O 82166522 SRFPBSQOTRWNHU-UHFFFAOYSA-N 373.844 2.869 0 50 FFAA O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H](O)c1ccc(F)cc1 223756907 BGQDGAKVXRPPSG-IBGZPJMESA-N 370.424 2.802 0 50 FFAA CCN1C[C@H](NC(=O)c2ccc(-c3cc(OC)cc(OC)c3)cc2)CC1=O 426512327 UIEJGNGSSSZBGW-QGZVFWFLSA-N 368.433 2.721 0 50 FFAA CCCCc1nc(CN2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)c[nH]1 91780701 OCOOITTVOFULSS-HXUWFJFHSA-N 362.518 2.603 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)cc1 230028059 FQZKXWBUGCXTRW-JNNCMOEMSA-N 355.390 2.571 0 50 FFAA C[C@H]1CCc2ccccc2N1C(=O)COc1cccc2c1NC(=O)CO2 180748047 RXCRQABRKXIJQP-ZDUSSCGKSA-N 352.390 2.764 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 95391136 PAZNNKUHDNATLT-QGZVFWFLSA-N 372.538 2.943 0 50 FFAA OCCn1nc(C2CCOCC2)nc1-c1csc(Cc2ccccc2)n1 96139697 VJOZCHANTVJHSM-UHFFFAOYSA-N 370.478 2.879 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)NCCCc1scnc1C)CC(=O)N2 91663310 ZUFAUPJOLCTHBQ-AWEZNQCLSA-N 359.451 2.635 0 50 FFAA Clc1ccccc1CN1CCn2nc(CNc3ncccn3)cc2C1 426701430 NSURSXIRGXHDGX-UHFFFAOYSA-N 354.845 2.954 0 50 FFAA OCc1ccccc1CN1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95503905 HOWAQNBTTWWSDZ-IBGZPJMESA-N 366.505 2.938 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cnn([C@H]3CCCNC3)c2)[C@H](C)CO1 333283473 MWMVUSIADQCZDH-KPFFTGBYSA-N 368.481 2.718 0 50 FFAA COC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1ccnn1C 91846985 JENASULFUWGNFD-INIZCTEOSA-N 354.454 2.873 0 50 FFAA Cc1ccc(C)c2c(C)c(C(=O)N3CCN(Cc4nccn4C)CC3)[nH]c12 91657365 AHNHHSZDYVKIMK-UHFFFAOYSA-N 365.481 2.785 0 50 FFAA COCCN(Cc1ccncc1)C(=O)c1ccc([C@@H]2CCCNC2)cc1 95386338 VFCARGCOKGDEHV-HXUWFJFHSA-N 353.466 2.837 0 50 FFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCC2(CC1)OCCC[C@H]2O 91325267 ASPQPAZMMROECS-LJQANCHMSA-N 358.482 2.823 0 50 FFAA CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H](C(=O)O)C1 269179969 KXXCGFYKZOAGDK-OLZOCXBDSA-N 354.244 2.951 0 50 FFAA Cc1ccc(NC(=O)CCN2CCC[C@]3(C2)CN(C)C(=O)O3)cc1Cl 244794806 QTWYYSBQNBXJHP-GOSISDBHSA-N 365.861 2.894 0 50 FFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCN(CCn2cccc2)CC1 91585902 IMOZWUZPSJJJNY-UHFFFAOYSA-N 355.486 2.717 0 50 FFAA COc1ccc([C@@]2(C(=O)N3CCC4(CC3)COC(=O)O4)CC2(C)C)cc1 299788320 RSIZLNNXMWUFCG-HXUWFJFHSA-N 359.422 2.891 0 50 FFAA Cn1ncc2cc(NC(=O)N3CCN(Cc4cccs4)CC3)ccc21 299779104 RZENQJLGQCEEDT-UHFFFAOYSA-N 355.467 2.985 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299762542 XBQHICIEJXTWCA-KBPBESRZSA-N 367.331 2.675 0 50 FFAA Cc1cc(C)nc(CNC(=O)Nc2ccccc2OC[C@H]2CCCO2)n1 299762132 RMGMNOYJRXSTRH-OAHLLOKOSA-N 356.426 2.973 0 50 FFAA COc1ccc(CCN2C(=O)CC[C@H]2CCNCc2ccccn2)cc1 299784760 KSFPIUAONKGDPN-IBGZPJMESA-N 353.466 2.804 0 50 FFAA CCc1nnc(CNC(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)s1 584886572 UBIULCHIIRUIKH-LLVKDONJSA-N 362.455 2.774 0 50 FFAA Cc1cc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)c(C)n1-c1ccncc1 1875267739 ANCQLDOFGLPMJF-UHFFFAOYSA-N 364.331 2.556 0 50 FFAA N[C@@H](C(=O)NC[C@@H]1CCCc2nccn21)c1ccccc1C(F)(F)F 1875292866 VINCLCLEJYLSRW-XHDPSFHLSA-N 352.360 2.596 0 50 FFAA O=C(c1cccc2nc(O)oc12)N1CCCN(C(=O)C2CCCCC2)CC1 1875333084 ZDUSQPGUWGJJHY-UHFFFAOYSA-N 371.437 2.788 0 50 FFAA CN1CCN(C2(CN[C@@H]3CCN(c4ccccc4)C3)CCCCC2)CC1 952964057 MUGRYDYZOZQFAN-HXUWFJFHSA-N 356.558 2.805 0 50 FFAA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)Nc2ccc(C(N)=O)cc2)n[nH]1 952963423 SDPDDQCSWKQNLR-UHFFFAOYSA-N 366.425 2.822 0 50 FFAA CN1CCC[C@@H](CNC(=O)c2cccc3cc[nH]c23)[C@@H]1c1cncn1C 886034943 ICZYBRRJWOIYAJ-HNAYVOBHSA-N 351.454 2.714 0 50 FFAA CNC(=O)c1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)o1 1565528514 DVWWJFJCWSJKAU-AEFFLSMTSA-N 371.456 2.875 0 50 FFAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(CSc2ccccn2)cc1 1565529458 RURFEWBFCRDMSN-IRXDYDNUSA-N 358.463 2.908 0 50 FFAA CC(C)(C)C(=O)NC1CCC(C(=O)NCc2ccc(CO)c(F)c2)CC1 279612890 ZDHAPDUILUGLEJ-UHFFFAOYSA-N 364.461 2.655 0 50 FFAA COc1cc(OCCN(C)C)ccc1NC(=O)c1nc2cccnc2s1 412569538 ICPBYXSJNQVIDX-UHFFFAOYSA-N 372.450 2.893 0 50 FFAA NC(=O)CCCCc1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 225405161 UNYRLEHDKMGCDF-UHFFFAOYSA-N 362.393 2.669 0 50 FFAA Cc1cccc2nc(CN(C)C(=O)CCC(=O)Nc3cccc(O)c3)[nH]c12 1506423880 GSBHPEFQWODKRB-UHFFFAOYSA-N 366.421 2.954 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CC1=O 1704297627 DEQYWKQLCWWZRJ-RVKKMQEKSA-N 356.445 2.905 0 50 FFAA COCC1(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CCC1 1704280575 GWYMYOKEOURORF-APWZRJJASA-N 354.450 2.725 0 50 FFAA CN(C)Cc1cccc(-c2nccn2-c2ccc3c(c2)ncn3CCO)c1 1775981200 QSRDVVAFCPDTHH-UHFFFAOYSA-N 361.449 2.943 0 50 FFAA COc1ccccc1CN1C[C@@H](C(=O)NCCc2ccc(C)o2)CCC1=O 12208368 FKARSSAFNJQFQQ-KRWDZBQOSA-N 370.449 2.694 0 50 FFAA O=C(NC[C@@H]1CCCCO1)c1coc(COc2cccc(F)c2F)n1 12589975 WTWFHSZYZNAANC-NSHDSACASA-N 352.337 2.831 0 50 FFAA O=C(C[C@@H]1CCc2ccccc21)NCc1cccnc1N1CCOCC1 14978518 CGPCNRJGHYXCFS-KRWDZBQOSA-N 351.450 2.655 0 50 FFAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccc2)O[C@@H]1c1ccccc1 15769286 VKZKOTVLMSTFDH-AMBYYYRHSA-N 368.385 2.647 0 50 FFAA CNS(=O)(=O)c1cc(-c2ccc(N3CCC(C)CC3)nn2)ccc1C 16652387 WYNCUMYYBYSGPB-UHFFFAOYSA-N 360.483 2.596 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)O1 1857667116 HSZDGEXVRIVLTD-CABCVRRESA-N 367.873 2.899 0 50 FFAA COc1ccc(N2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cn1 1857680429 IPJOQGHQGOEELC-KRWDZBQOSA-N 351.450 2.859 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 1857680574 KZVAIORXRYRYLR-LJQANCHMSA-N 365.477 2.714 0 50 FFAA CC(=O)N(CC(=O)O)[C@H]1CCCN(Cc2nc(C(C)(C)C)cs2)CC1 328607776 XBBMCMVKHWHNAX-AWEZNQCLSA-N 367.515 2.728 0 50 FFAA O=C1[C@@H]2CC[C@@H](CN(CCOc3ccc(F)cc3)C2)N1Cc1ccccn1 212813498 GQCWNMKNOCMKAW-APWZRJJASA-N 369.440 2.723 0 50 FFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 109621846 OPQICHDTIGXYKW-CYBMUJFWSA-N 351.830 2.711 0 50 FFAA C[C@H](C(=O)N1CCC[C@H](N2CCCC2=O)CC1)n1cnc2ccccc21 334015920 YVEWROHVMYRPFZ-CVEARBPZSA-N 354.454 2.601 0 50 FFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2ccc(C(N)=O)cc2)cc1 818024962 VYXRGURZXJDVME-CTNGQTDRSA-N 354.450 2.666 0 50 FFAA CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](N=c3[nH]cnc4cnccc34)C[C@H]1C2 2325760547 XQPMNBFMRMYUHD-BFHYXJOUSA-N 355.442 2.647 0 50 FFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1occc1CN 2325774629 FCDVVYYJDVKXRH-CQSZACIVSA-N 350.422 2.637 0 50 FFAA CC1(C)C[C@H](c2nc(-c3cc(F)c(N4CCOCC4)c(F)c3)no2)CN1 2325805897 BXKOIIRFVVZZOV-LBPRGKRZSA-N 364.396 2.707 0 50 FFAA CC[C@H]1C[C@H]1C(=O)NCC1(CCNC(=O)Cc2cc(C3CC3)on2)CC1 2325867852 HKUQJFBSYVFDDM-XJKSGUPXSA-N 359.470 2.543 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c[nH]c2c(OC)cccc12 628663 MNKGQXTZFPETCE-UHFFFAOYSA-N 370.405 2.757 0 50 FFAA O=S(=O)(Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 758031 UWAGONIGUUCHCS-UHFFFAOYSA-N 350.871 2.992 0 50 FFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)no1 1111970 OEJDFWCZMPVXGK-UHFFFAOYSA-N 361.379 2.938 0 50 FFAA CSc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 1142448 ZPZSJEUZSSBFIJ-UHFFFAOYSA-N 364.492 2.809 0 50 FFAA Cc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 1172303 GXLSXMGTCPDRAX-UHFFFAOYSA-N 366.870 2.731 0 50 FFAA CCS(=O)(=O)c1nc2ccccc2n1CCOc1ccc(OC)cc1 2858286 MADRKXQJXCUEBO-UHFFFAOYSA-N 360.435 2.918 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cc(C(C)C)on3)[C@@H](C)C2=O)cc1 55358613 VYHCMXKZARXLFP-HNNXBMFYSA-N 355.438 2.980 0 50 FFAA COc1cccc(-c2nc(CC(=O)N3CCC(C(=O)O)CC3)cs2)c1 20735727 RNSQBBUXOZXWSG-UHFFFAOYSA-N 360.435 2.684 0 50 FFAA CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c2ccccc21 100543100 YYXDFIGVAHFAKG-UHFFFAOYSA-N 366.373 2.766 0 50 FFAA CCOc1ccc(CCC(=O)NCc2ccc(-n3ccnc3)nc2)cc1 115731916 RPWPPTBJTKGXPW-UHFFFAOYSA-N 350.422 2.915 0 50 FFAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(I)cc1 100199403 QABUSKAILYZTBL-WTTBSCSTSA-N 365.170 2.603 0 50 FFAA C[C@H](NC(=O)c1ccc(S(C)(=O)=O)s1)[C@H]1OCCc2sccc21 421572562 DLXBQBMLXKNNTO-LKFCYVNXSA-N 371.505 2.645 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(NC3CCNCC3)n2)cn1 55245388 JIRMVALEGPUUPU-UHFFFAOYSA-N 350.426 2.502 0 50 FFAA O=C1NCCNC12CCN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 67964825 CTDGEVVFPFVZJE-UHFFFAOYSA-N 359.857 2.654 0 50 FFAA COc1ccccc1OC1CN(C(=O)c2cnn(Cc3ccccc3)c2)C1 65380349 CJZHOXSNPXHVAH-UHFFFAOYSA-N 363.417 2.843 0 50 FFAA CCOc1ccc(CCCC(=O)NCC(=O)Nc2nccs2)cc1C 63882525 DJAKAESVARAHDP-UHFFFAOYSA-N 361.467 2.928 0 50 FFAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(S(C)(=O)=O)CC1 65365568 LWUIWHZHSWGHLZ-HNNXBMFYSA-N 366.527 2.531 0 50 FFAA O=C(NCCc1nnc(S)n1C1CC1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2 121434845 CKWNUCKUIQUWPT-SKLAPFLYSA-N 364.490 2.869 0 50 FFAA O=C(CCNCC1(c2cccc(F)c2)CCOCC1)Nc1nccs1 65374503 KLMWCUKAKXKUHR-UHFFFAOYSA-N 363.458 2.949 0 50 FFAA CN(C)[C@@H](c1ccc2c(c1)OCO2)c1nc(CCc2ccccc2)n[nH]1 65460327 FWAZHRFWNKBSDX-IBGZPJMESA-N 350.422 2.970 0 50 FFAA CC(=O)N(Cc1cncnc1)[C@@H]1CCCN(C(=O)c2ccc(C)s2)CC1 328629424 IETKDFKBXMIVGZ-QGZVFWFLSA-N 372.494 2.890 0 50 FFAA CC(C)N(Cc1cnc2c(-c3ccccc3)cnn2c1)C[C@H]1CCC(=O)N1 67908297 QKRSVUWRMVVXRF-GOSISDBHSA-N 363.465 2.885 0 50 FFAA Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1Br 1431306 RZPFOJWGATTXGL-UHFFFAOYSA-N 373.210 2.969 0 50 FFAA COc1ccc(OC)c(C(=O)N2CCC(CCC(=O)NC3CC3)CC2)c1 12074963 MROCWJPOPOGOMS-UHFFFAOYSA-N 360.454 2.615 0 50 FFAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CCC(=O)N(C)C)c1 12025531 YKPIJBIIUMUGAH-GOSISDBHSA-N 368.481 2.851 0 50 FFAA COc1ccc2[nH]nc(CN3CCN(Cc4ccc(C)cc4)C(=O)C3)c2c1 72120648 LJXVCFGQTRFDMR-UHFFFAOYSA-N 364.449 2.724 0 50 FFAA COCCc1noc([C@H](C)Nc2nc(C3CCCC3)nc3c2cnn3C)n1 72429837 SBOQRGUDHBHLRO-NSHDSACASA-N 371.445 2.766 0 50 FFAA Cn1cnnc1[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 125511872 URLSZBQFOFYZHT-FUHWJXTLSA-N 371.460 2.530 0 50 FFAA Cc1cc(C)cc(N2CCN(Cc3cnc(N4CCCC4)nc3)CC2=O)c1 72153777 RECYPBPNVZPLQD-UHFFFAOYSA-N 365.481 2.542 0 50 FFAA O[C@H](COc1ccccc1CN1CCCCCC1)CN1CCSCC1 12430859 REZADZGHZVRWDR-IBGZPJMESA-N 364.555 2.851 0 50 FFAA Cc1nc(NCCNC(=O)C2CCCCC2)cc(-n2cnc(C)c2C)n1 72437534 CVGVHKMTJXJWDK-UHFFFAOYSA-N 356.474 2.696 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCCO[C@H](CN3CCCC3)C2)cc1 72426583 BJISOURDGBGQNZ-HXUWFJFHSA-N 374.525 2.717 0 50 FFAA CCN(Cc1noc(C)n1)Cc1cc(CN2CCN(C)CC2)c(C)cc1C 215748566 QCJXIUFKPJYFLB-UHFFFAOYSA-N 371.529 2.764 0 50 FFAA Cn1cccc1[C@@H]1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1 174392835 DWLXAHZVVKKAMK-IBGZPJMESA-N 364.449 2.990 0 50 FFAA Cc1ccc([C@@H]2CN(Cc3nnc(C4CC4)o3)C[C@H]2NC(=O)C2CC2)cc1 77355893 CGFAKAJBKJOMRA-ZWKOTPCHSA-N 366.465 2.750 0 50 FFAA O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72129184 RESMLKUFEZQOLG-JOCHJYFZSA-N 373.412 2.654 0 50 FFAA CN1CCN(CC2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CC1 216093352 LNBBOISMYSNXLW-UHFFFAOYSA-N 365.525 2.603 0 50 FFAA C[C@H](CN1CCOCC1)C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 72409162 QTWJGWSIFVPQQJ-CYBMUJFWSA-N 361.873 2.674 0 50 FFAA CC[C@@H](O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1 72127134 NAGTYMGNUPXMBL-HXUWFJFHSA-N 352.478 2.543 0 50 FFAA Cc1nc2c(c(N3CCC(O)CC3)n1)CCN(C[C@H]1CC=CCC1)CC2 72453678 VHZCAAJLYFWKPS-KRWDZBQOSA-N 356.514 2.503 0 50 FFAA CC(C)Oc1ccc2c(NC(=O)CN(C)C)nn(CC(F)(F)F)c2c1 77537812 ORPJZAYLODENQG-UHFFFAOYSA-N 358.364 2.886 0 50 FFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc3nc(S)oc3c1)CC2 175191500 PNBQRYVVBYUBDN-LSDHHAIUSA-N 362.451 2.509 0 50 FFAA C[C@@H](C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)n1ccc2ccccc2c1=O 287899362 CGHDFCNTUOPATF-JTDSTZFVSA-N 364.449 2.869 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)cc(C)n1 215765161 PERSUZZECDXRGG-GOSISDBHSA-N 359.857 2.734 0 50 FFAA CC(C)S(=O)(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 77421625 SURROVIYYHTZLN-LJQANCHMSA-N 364.511 2.629 0 50 FFAA CS(=O)(=O)NC1CCN(Cc2ccccc2OCc2ccccc2)CC1 77355885 AQUGSCDVRJZIFZ-UHFFFAOYSA-N 374.506 2.779 0 50 FFAA O=C1[C@@H]2C[C@@H](CN2Cc2nnc(-c3ccco3)o2)N1c1cccc(Cl)c1 77470762 JGAMKPPNNONKBC-KBPBESRZSA-N 370.796 2.973 0 50 FFAA CN1C[C@]2(CCN(C(=O)c3cccnc3N(C)C3CCCCC3)C2)OC1=O 72153265 WXQJSPZTBCVIKU-FQEVSTJZSA-N 372.469 2.517 0 50 FFAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 175775307 CNAMGCKKGXIKFG-QAPCUYQASA-N 374.444 2.989 0 50 FFAA OC[C@@]1(Cc2ccc(F)cc2)CCN(Cc2nc(O)c3sccc3n2)C1 288746164 HULYRDCCCMBZBD-LJQANCHMSA-N 373.453 2.963 0 50 FFAA O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc2nc(S)oc2c1 160522704 CMYIKAVMSGHPPK-OCCSQVGLSA-N 360.435 2.717 0 50 FFAA COc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c1 82107213 CZCGGXCWDDVZGI-MRXNPFEDSA-N 368.433 2.646 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)NCc1ccc2c(c1)CCO2 426632905 QZMJSDRGOQKFIT-UHFFFAOYSA-N 354.454 2.955 0 50 FFAA COc1ccccc1-n1cc(CNC(=O)c2ccnc(C(C)C)n2)cn1 426510428 UKGWNHZPHNRHKB-UHFFFAOYSA-N 351.410 2.724 0 50 FFAA OCCn1ccc([C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)n1 426372540 YGZPKQBZSMMCCN-HXUWFJFHSA-N 368.525 2.719 0 50 FFAA CCN1CC[C@@H](CNC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)C1 426489464 BKJGUCBZRWAOJC-AWEZNQCLSA-N 356.470 2.586 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)N[C@@H](c2nccn2C)C(C)C)c1C 96163823 OGFSLXBBYJHGNY-QGZVFWFLSA-N 373.457 2.832 0 50 FFAA CCCCn1nc(CCc2ccccc2)nc1C[C@H]1CN(C)CCN1C 96154137 IKEJRZWXMHYHQR-IBGZPJMESA-N 355.530 2.652 0 50 FFAA O=C(NCc1cccs1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 91305634 PHQJBDMOTAYIIF-NVXWUHKLSA-N 356.495 2.949 0 50 FFAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(C(c4ccccc4)c4ccccc4)C(=O)[C@H]13)O2 239174496 QDKJBAZDSXUQIO-MSQSPTIYSA-N 361.397 2.643 0 50 FFAA Cc1ccc2cc(CO)c(N3CCC([C@@H](C)N4CCOCC4)CC3)nc2c1 95353891 QNPYPFWBIYPKLJ-QGZVFWFLSA-N 369.509 2.973 0 50 FFAA Cc1cccc(O[C@H](C)C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c1 181148157 JMIQOACPUGQWLR-OAHLLOKOSA-N 361.486 2.851 0 50 FFAA CC(C)N1CC2(CCC1=O)CCN(C(=O)c1cc(Cl)cn1C)CC2 92077623 HSOJHJGGGUSXGN-UHFFFAOYSA-N 351.878 2.932 0 50 FFAA CN1CCN(Cc2nc(-c3ccccc3)cs2)C[C@]12CCNC(=O)CC2 91807786 DHWGDIYPHVSALS-FQEVSTJZSA-N 370.522 2.596 0 50 FFAA CC[C@@H](OC)C(=O)N1CCC2(CC1)CC(=O)N(CCCc1ccccc1)C2 91694589 LUUNMFCBYITFHR-LJQANCHMSA-N 372.509 2.885 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)NCCN1CCCCC1 96136912 KOAMDECFTZPBBD-UHFFFAOYSA-N 357.458 2.547 0 50 FFAA Cc1ccc(Cl)c(C(=O)O)c1NS(=O)(=O)c1cnn(C(C)C)c1 268020800 YQUNETURGIKGND-UHFFFAOYSA-N 357.819 2.925 0 50 FFAA O=C(c1ncoc1C1CC1)N(Cc1ccccc1)[C@@H](CO)Cc1cnc[nH]1 97632031 LDTBUWDNMZJKOD-QGZVFWFLSA-N 366.421 2.521 0 50 FFAA CN(C)[C@H]1CCN(Cc2nc(C3CC3)nn2-c2cccc3c2CCC3)C1 96147831 MJJDYYWPXQXVMI-KRWDZBQOSA-N 351.498 2.769 0 50 FFAA Cn1nc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1OC(F)F 185091547 SSAGNWFAJZXSCC-ZDUSSCGKSA-N 367.352 2.832 0 50 FFAA COc1ccc(C2(C(=O)N3CCc4[nH]nc(C(=O)O)c4C3)CCCC2)cc1 252502469 UQXWTZJRUDKTDB-UHFFFAOYSA-N 369.421 2.513 0 50 FFAA COc1ccccc1Cn1nccc1NC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 299780753 CMGAHSGUQPMFMS-ZDUSSCGKSA-N 368.441 2.724 0 50 FFAA CN(C)C(=O)CN1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2)CC1 299761848 YRBOKKCLNAXBTA-UHFFFAOYSA-N 370.453 2.574 0 50 FFAA CCCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCN1CCCOC1=O 299772646 APPAEQNZRRSPOJ-INIZCTEOSA-N 372.469 2.898 0 50 FFAA CCOc1ccccc1CN1CCn2nc(CNc3ncccn3)cc2C1 299798443 SGXZXGLZJOTRLI-UHFFFAOYSA-N 364.453 2.700 0 50 FFAA COc1ccc(NC2(C(=O)NCCN=c3cc[nH]cc3C)CCCC2)cc1 824678555 ZVEXCRCWJVUKBS-UHFFFAOYSA-N 368.481 2.774 0 50 FFAA COc1ccc(-c2cncc(C(=O)NS(=O)(=O)CC3CCC3)c2)cc1 165034439 AKPLWTZBFGPMKI-UHFFFAOYSA-N 360.435 2.617 0 50 FFAA COc1ccccc1-n1cc(CN2CCC(Cn3ccnc3)CC2)cn1 670438592 SHLRJPYKERJEGQ-UHFFFAOYSA-N 351.454 2.990 0 50 FFAA O=C(CCc1ccccn1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848661 QLZHGMIZPTZLAO-SJORKVTESA-N 351.454 2.662 0 50 FFAA COc1ccccc1C[C@H]1CCC[C@H]1NCc1cnn2c1CN(C)CC2 952889679 JNCPYZUMHLNNBH-VQIMIIECSA-N 354.498 2.838 0 50 FFAA Cc1ccc(C)c(NC(=O)NC(=O)CSc2nnc(C3CC3)n2C)c1 1875273587 NAYNWRXIBCPINF-UHFFFAOYSA-N 359.455 2.750 0 50 FFAA C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 1875255991 OMMPXLSQSSMMJY-YOEHRIQHSA-N 370.415 2.960 0 50 FFAA O=C(NC[C@@]1(O)CCCc2ccccc21)Nc1c[nH]nc1-c1nccs1 1875265222 TXPOIJPXYUVHNO-SFHVURJKSA-N 369.450 2.879 0 50 FFAA COC1(C(F)(F)C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](N)C2)CCC1 1875386797 YVLMMSUUWTYINU-CABCVRRESA-N 356.388 2.673 0 50 FFAA CS(=O)(=O)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 1875390699 YPROOGCCPFQXIN-UHFFFAOYSA-N 361.206 2.870 0 50 FFAA COC(=O)C12COC(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)(C1)C2 1875313279 JGQBYQAJOSFFAH-CXPKIZLGSA-N 357.328 2.605 0 50 FFAA COc1cccc2c1OC[C@H](NCc1cc3ccccc3n(C)c1=O)C2 952974946 XIOHZKHNGWXRLT-QGZVFWFLSA-N 350.418 2.640 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCC(=O)Nc1cccc(CC)c1 952967838 MJORBGRJVPOCMU-GOSISDBHSA-N 373.497 2.827 0 50 FFAA Cn1cnnc1C[C@]1(O)CCCN(CCc2ccc3ccccc3c2)C1 888076991 BIOALSVCKCMTNN-OAQYLSRUSA-N 350.466 2.580 0 50 FFAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccccc1CCC(F)(F)F 888079321 WJEFXMUVSJROEL-INIZCTEOSA-N 359.344 2.887 0 50 FFAA Cc1nnc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)s1 275219755 BVVBSCXSXISRFW-CYBMUJFWSA-N 374.470 2.527 0 50 FFAA O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCO[C@@H](c2cccc(F)c2)C1 170779887 RWVLDHAPLOPYBT-GOEBONIOSA-N 374.378 3.000 0 50 FFAA CC1(C)CCCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 194165152 XACRJGDYKNKGDH-MRXNPFEDSA-N 372.465 2.916 0 50 FFAA Cc1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1F 758008295 AHVUKOKBCXVHDL-UHFFFAOYSA-N 362.426 2.635 0 50 FFAA Cc1cccc(CN(C(=O)CCCS(N)(=O)=O)C2CCCCC2)c1 1506397236 SEMCXQNLGHCDAW-UHFFFAOYSA-N 352.500 2.725 0 50 FFAA COc1ccc2c(c1)[C@H](NS(=O)(=O)N1CCCCC1)CC(C)(C)O2 1506400826 LDOOMARDUCYGMQ-OAHLLOKOSA-N 354.472 2.618 0 50 FFAA COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)c(Cl)c1OC 1529160017 WDKVMSOPLVDYLM-HZPDHXFCSA-N 362.857 2.788 0 50 FFAA O[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1Cc1ccc2ccccc2n1 1704338516 FECHWIUVCZODOZ-CRAIPNDOSA-N 350.422 2.531 0 50 FFAA CCc1ccccc1CN1C[C@@H]2CN(c3cccc(C)n3)C[C@]2(CO)C1 1772807527 OMFVXYXXWSSHDY-IRLDBZIGSA-N 351.494 2.883 0 50 FFAA CCn1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)cn1 11709864 GPYBJMJUNMUTLU-MRXNPFEDSA-N 374.872 2.611 0 50 FFAA COCCN1CCC[C@@]2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1=O 11843979 PSCTXSJJPNAHGC-SFHVURJKSA-N 368.836 2.580 0 50 FFAA O=C(N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21)c1cccs1 11945692 DXQCOIGMYHYFNH-HNNXBMFYSA-N 372.494 2.554 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 12382807 DEFOKHSXACSXSL-UHFFFAOYSA-N 362.451 2.911 0 50 FFAA O=C(NC1CCCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944817 UAICGQFRMCZISU-CQSZACIVSA-N 357.429 2.757 0 50 FFAA CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2 14540946 RJAAXHHSQNWSPL-UHFFFAOYSA-N 366.421 2.760 0 50 FFAA COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)c(Cl)c1Cl 16651089 HNXIKOMRPFCVQA-UWVGGRQHSA-N 368.282 2.926 0 50 FFAA CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccsc3)CC2)[C@H]1O 19229347 QDHLNONWNPGMIA-MSOLQXFVSA-N 356.491 2.899 0 50 FFAA COCCCN[C@@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl 19315534 PHZNVZQXTLLUPY-ZDUSSCGKSA-N 369.676 2.747 0 50 FFAA OC[C@]1(Cc2ccc(F)cc2)CN(Cc2ccc(F)c(F)c2)CC[C@@H]1O 1875250685 XAASUMSCODNWQD-PMACEKPBSA-N 365.395 2.892 0 50 FFAA OC[C@@H]1CN(Cc2cn(-c3ccccc3)nc2-c2cccs2)CC[C@@H]1O 414558668 NKMOZHLSKSEVOA-WMZOPIPTSA-N 369.490 2.776 0 50 FFAA Cc1noc([C@H]2COCCN2C(=O)COc2cc(Cl)ccc2Cl)n1 155369973 GJKSZMWCLGJWCY-GFCCVEGCSA-N 372.208 2.664 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)C1 901501725 WHXJGVKDIPHLCL-KRWDZBQOSA-N 354.406 2.526 0 50 FFAA O=C(CN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1)NC1CC1 1704299028 LWOGKPTXNBWRNY-QFIPXVFZSA-N 362.477 2.702 0 50 FFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCc2ccccc2CC1 2100480365 FQUAHDAELGADTF-UHFFFAOYSA-N 357.479 2.529 0 50 FFAA Cc1c(CC(=O)N[C@H]2CNC(=O)C2)c(-c2ccccc2)nc2ccccc12 2325734820 DJRYZGGHIKAWFP-MRXNPFEDSA-N 359.429 2.757 0 50 FFAA CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@H](CF)C2)c1 2325792361 WTMHMGWJEYIMGT-HXUWFJFHSA-N 355.457 2.702 0 50 FFAA O=C(O)[C@H]1CCC[C@H]1Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F 2325827513 IKIHODSMJGNVAU-DTWKUNHWSA-N 355.309 2.784 0 50 FFAA C[C@@H]1c2ccc(Cl)n2CCN1C(=O)[C@@]1(c2ccccc2)CNC(=O)C1 854482832 PBRBROVPXUOGIH-BFUOFWGJSA-N 357.841 2.503 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)CC1 2325883976 AWEDOTBNSZUJCP-UHFFFAOYSA-N 356.401 2.589 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2sccc2Br)CC1 2325884122 DZORVRGMPHWUND-UHFFFAOYSA-N 357.273 2.551 0 50 FFAA CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(Cl)c(Cl)c1 1146025 FTOPPDKIBQUGJZ-UHFFFAOYSA-N 365.282 2.818 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccc(Cl)cc1 2873177 ZIQWRAFGZGPOQW-UHFFFAOYSA-N 370.833 2.879 0 50 FFAA CC(C)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 3896003 FFZJYWLIFNSUKS-MRXNPFEDSA-N 356.463 2.531 0 50 FFAA CS(=O)(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 6701739 NMHQYRZGQFCAIL-UHFFFAOYSA-N 372.490 2.564 0 50 FFAA C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc3c(c2)nnn3C)CC1 116064750 HKYGRFFHVAVBDX-OAHLLOKOSA-N 363.465 2.924 0 50 FFAA CC[C@@H](C)C(=O)N1CCc2c(cnc(C)c2-c2noc(-c3cc[nH]n3)n2)C1 20534881 UHUIAOSFVWHXBW-LLVKDONJSA-N 366.425 2.761 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1[C@H]2CC[C@@H]1CC(=O)N(C)C2 67934652 PYYVWLYCDBIHRU-OLZOCXBDSA-N 363.845 2.524 0 50 FFAA Cc1nc(CNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc(=O)[nH]1 23368486 KWSCZGGIFJBYTN-UHFFFAOYSA-N 373.416 2.656 0 50 FFAA CC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 20783357 LFSKMGCIVNMBAM-QGZVFWFLSA-N 371.481 2.900 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccc(NC2CCOCC2)nc1 67819130 WETCNEVFARWJQI-UHFFFAOYSA-N 371.485 2.813 0 50 FFAA Cc1cc(C)c2[nH]c(C(=O)NCc3cccnc3-n3cncn3)c(C)c2c1 67603522 KZVJXUDWDFXQKB-UHFFFAOYSA-N 360.421 2.999 0 50 FFAA FC(F)(F)c1cccc2c1OCCN2Cc1cn(C[C@@H]2CCOC2)nn1 864097011 IGLUBDBKEDZXIZ-LBPRGKRZSA-N 368.359 2.732 0 50 FFAA CC[C@H](CCOC(=O)[C@@H](C)OCC1CC1)OC(=O)[C@H](C)OCC1CC1 252477411 NIEYJFCOSVSMEM-JKIFEVAISA-N 356.459 2.872 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)on1 67587337 KSLSEAQFOPVAQA-ZDUSSCGKSA-N 362.393 2.696 0 50 FFAA O=C(NCc1csc(-c2ccco2)n1)N[C@H]1c2ccccc2C[C@H]1O 121424329 ANACZGUEHNGNTG-ZBFHGGJFSA-N 355.419 2.861 0 50 FFAA C[C@H](NC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1)c1ccccc1 65362041 BNZQAEVLJBQKMH-VIFPVBQESA-N 361.448 2.660 0 50 FFAA Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)CC1 122245487 MMNXZEZOPOXASA-FGTMMUONSA-N 371.525 2.977 0 50 FFAA COCCN1CCC[C@@]2(CCN(C/C=C/c3ccc(O)c(OC)c3)C2)C1 12456590 HWCKUZZZFMBWOR-GUWAZMKPSA-N 360.498 2.848 0 50 FFAA CN(Cc1nccc(N)n1)[C@H]1CCCN(c2nc3cc(F)ccc3o2)CC1 328645146 SAAYQPIWSSQCHQ-AWEZNQCLSA-N 370.432 2.830 0 50 FFAA CCn1cc(CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc23)C(C)C)cn1 67804132 VUFUOVMQJNJVOG-UHFFFAOYSA-N 356.401 2.934 0 50 FFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)c1 1444439 BADHWFWXVXSRLI-UHFFFAOYSA-N 371.462 2.956 0 50 FFAA COc1ccccc1OC1CN(C(=O)CCc2[nH]nc3c2CCCC3)C1 65384111 ATRAAANSJNJVSG-UHFFFAOYSA-N 355.438 2.520 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)NCCc3nc(C(C)C)no3)cc2)n1 68160904 HBWKYLMBECIGNT-UHFFFAOYSA-N 353.426 2.968 0 50 FFAA Cc1ccc(OCc2cc(C(=O)N(C)Cc3nccn3C)no2)cc1C 12206585 JRPZQYHSXBNEPM-UHFFFAOYSA-N 354.410 2.876 0 50 FFAA Cc1cccc2[nH]c(CN(C)Cc3cnc(NC[C@@H]4CCCO4)nc3)nc12 214967684 LRIKLAMUQNWRNK-INIZCTEOSA-N 366.469 2.884 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccc([C@H]3CCCO3)s1)C2 72168124 AIGQQUHMWLTCRA-MRXNPFEDSA-N 361.467 2.829 0 50 FFAA O=C1CC[C@@]2(CCCN(CCn3ccnc3)C2)CN1Cc1ccccc1 72457847 BOGNKYMVCFINEC-OAQYLSRUSA-N 352.482 2.788 0 50 FFAA O=C(NCc1ccc(OC2CCCC2)cc1)N1CC[C@H](N2CCOCC2)C1 363844367 ACGWJBZGTSSLID-SFHVURJKSA-N 373.497 2.624 0 50 FFAA O=C(C1=Cc2cc(F)ccc2OC1)N1CC[C@@](CO)(c2ccccc2)C1 368274519 STRNOSMLKWXELL-OAQYLSRUSA-N 353.393 2.764 0 50 FFAA O=C1CC[C@]2(CCCN(Cc3cscn3)C2)CN1Cc1ccccn1 72438957 IXSUYPREUZSUTB-IBGZPJMESA-N 356.495 2.943 0 50 FFAA O=c1n(Cc2ccccc2F)nc([C@@H]2CCCNC2)n1-c1ccccc1 71523916 DAPGVUJYPZYXCP-OAHLLOKOSA-N 352.413 2.688 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1C 72410601 QYHWUCKCMGJUFB-UHFFFAOYSA-N 365.437 2.547 0 50 FFAA COc1cccc(C[C@H]2CN(Cc3cc4c(cc3OC)OCO4)CCO2)c1 71752595 YCTYNRZRTDJTHN-SFHVURJKSA-N 371.433 2.876 0 50 FFAA Fc1ccc(N2CCN(Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)cc1 215298752 VZMRFVTUHFQTKV-IBGZPJMESA-N 371.460 2.529 0 50 FFAA O=C(CN1CCN(Cc2ccc(OC3CCCC3)cc2)CC1)N1CCCC1 215235217 PTGHXMWUYZWVQL-UHFFFAOYSA-N 371.525 2.748 0 50 FFAA CCCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Cl)CC1 174963899 KSXRXJHVTZKSSU-UHFFFAOYSA-N 355.841 2.798 0 50 FFAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](Cn2ccnc2)C1 77342707 REMFIZXZLMAFCI-INIZCTEOSA-N 362.437 2.969 0 50 FFAA O=C(N[C@@H](c1noc([C@@H]2CCc3[nH]ncc3C2)n1)C1CC1)c1ccccc1 289248029 YFWDJXNVMPOQBF-RHSMWYFYSA-N 363.421 2.946 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](COc2ccccc2F)C1 82157087 QDQWEYRRVGUHJQ-OAHLLOKOSA-N 372.444 2.921 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)c1 82134389 QFAKCAZCJRCWKN-QGZVFWFLSA-N 370.449 2.565 0 50 FFAA Cc1cc(=O)c2ccccc2n1CC(=O)N[C@@H]1CC(=O)Nc2ccccc21 222252306 JQIBDCZYMAAGKE-QGZVFWFLSA-N 361.401 2.510 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3cccc(O)c3)C2)CN1CCc1c[nH]cn1 82120577 GOLLHLLENKCRNF-OAQYLSRUSA-N 368.481 2.563 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cc(-c2ccccc2)on1 82121003 FLNACKRTLAUKSN-UHFFFAOYSA-N 357.439 2.784 0 50 FFAA COCCc1noc([C@H]2CCCCN2C(=O)CCc2scnc2C)n1 82098859 QMMVSRJDXVRIJK-CYBMUJFWSA-N 364.471 2.710 0 50 FFAA Cc1cccc(C[C@H](C)NC(=O)N2CCN(C3CCSCC3)CC2)n1 426444824 APTISEKLLXFQQP-INIZCTEOSA-N 362.543 2.544 0 50 FFAA CCN1CCC[C@@H](CNC(=O)N2CC(Oc3cccc(Cl)c3)C2)C1 426537376 BBKCMSKUXUDFHX-AWEZNQCLSA-N 351.878 2.845 0 50 FFAA NC(=O)c1cccnc1N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 426651460 YLZSQZLWBGSMLV-NRFANRHFSA-N 368.456 2.812 0 50 FFAA CCSc1ccc([C@H](C(=O)O)N2CCN(c3cnccn3)CC2)cc1 95385878 LLLJAXQFGZJRDR-QGZVFWFLSA-N 358.467 2.537 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91690245 MMMQSIWZMQVGKU-IBGZPJMESA-N 355.482 2.553 0 50 FFAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 95352421 XNPULUBKSMBSAE-CQSZACIVSA-N 362.424 2.743 0 50 FFAA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3n[nH]c(C)n3)C2)cc1 95507688 PAPUMIHIYWQZFU-SFHVURJKSA-N 357.502 2.508 0 50 FFAA CC(C)(C)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 95354896 RRQQMBBDTIHFRA-KFKAGJAMSA-N 356.466 2.850 0 50 FFAA Cc1ccc(F)cc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)O)C2)CC1 91410201 WSGBIPCREXUUOS-HNNXBMFYSA-N 362.445 2.812 0 50 FFAA COC[C@@H](NC(=O)c1ccc(-c2ncccc2OC)cc1)c1ccnn1C 426544883 CRRJMUMCZUKPOG-MRXNPFEDSA-N 366.421 2.608 0 50 FFAA O=C(CCc1cc2n(n1)CCCN(Cc1cccnc1)C2)NC1CCCC1 92037284 ULAZXVYKHVZJAL-UHFFFAOYSA-N 367.497 2.675 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91894468 UIOKCWMYEKMTGA-NRFANRHFSA-N 355.482 2.655 0 50 FFAA O=C(COC[C@@H]1CCCO1)N1CCC(c2nccn2CC2CCC2)CC1 91695561 MPTMRSRVEGKTBJ-SFHVURJKSA-N 361.486 2.585 0 50 FFAA CN(C)C[C@H]1C[C@@H](CO)CN(C(=O)CSCc2ccccc2Cl)C1 91620833 KJIZQJBRZQDUNW-HUUCEWRRSA-N 370.946 2.592 0 50 FFAA Cc1cccc(Cl)c1S(=O)(=O)N1CCC2(CCC(=O)N(C)C2)CC1 91486984 IHCXONSHMRKLDY-UHFFFAOYSA-N 370.902 2.672 0 50 FFAA COc1cccc(CNC(=O)c2cnc(-c3csc(C)n3)nc2O)c1 91562827 NNHVLMLNAHCCQI-UHFFFAOYSA-N 356.407 2.553 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(C(=O)c3cnc4c(c3)CCCC4)C2)C1=O 91411266 NLXHYEDURJUOJC-NRFANRHFSA-N 355.482 2.824 0 50 FFAA Cc1cc(C)nc(CNC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1 95507308 GYHSKMIZEBCLEU-UHFFFAOYSA-N 369.469 2.888 0 50 FFAA CCOC(=O)[C@@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1[C@H]1CCOC1=O 248323026 XHLMGXQDSRMJJK-XOKHGSTOSA-N 354.358 2.585 0 50 FFAA aggregator CC(C)n1cccc1CNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 252549631 RLLVMATWCTXATO-QGZVFWFLSA-N 368.437 2.866 0 50 FFAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC[C@H](N)c2ccccc2)C[C@@H](C)O1 299738833 HBEANVDYCULMOO-JYBIWHBTSA-N 359.514 2.567 0 50 FFAA O=C(NCC1(CO)CCOCC1)Nc1nc(Cc2ccccc2)cs1 184437974 WGCKEVFJYAKJNK-UHFFFAOYSA-N 361.467 2.645 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cc4ccccc4n(C)c3=O)[C@H]2C1 299758993 MKQHAUWEGRCEIM-HFSMHLIXSA-N 356.466 2.697 0 50 FFAA COCCc1noc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCO3)n1 299792686 GSADFAMXAIOMKW-INIZCTEOSA-N 371.437 2.951 0 50 FFAA COc1cccc(CCNC(=O)[C@H](c2ccc(F)cc2)N(C)C)c1OC 299781212 HNWMLIFPPAHIMG-SFHVURJKSA-N 360.429 2.805 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 299763164 PHRYDWJGPYYFJU-CYBMUJFWSA-N 363.870 2.878 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)nc(N)n1 821471660 RJQMEXAHGANDQB-CYBMUJFWSA-N 353.348 2.686 0 50 FFAA CC(C)CN1CCCC[C@@H]1CCNS(=O)(=O)c1ccnn1C(C)C 670461331 GRIVXAWWAMYHIR-MRXNPFEDSA-N 356.536 2.643 0 50 FFAA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cccc(C(=O)O)c1 952849561 MXKQBTWQMMSKHA-MRXNPFEDSA-N 356.426 2.537 0 50 FFAA Cc1cccc([C@@H](CNC(=O)c2ccccc2N(C)C)N2CCOCC2)c1 1875267609 XVJFNTGQYZOMPY-OAQYLSRUSA-N 367.493 2.864 0 50 FFAA Cc1cc(OCc2ccncc2)ccc1NC(=O)[C@H]1CCCC(=O)N1C 1875296712 KTDLHMHDFNHTNY-GOSISDBHSA-N 353.422 2.918 0 50 FFAA Cc1cc(O)nc2ccc(NC(=O)N3CC[C@@H](c4nccc(O)n4)C3)cc12 1875353380 QQJZHERHYFLPTN-GFCCVEGCSA-N 365.393 2.766 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(CN(C)C)c(F)c3)nn(C)c21 1875300041 IPXYEOZGYSPQKR-OLZOCXBDSA-N 374.460 2.573 0 50 FFAA CN(C)C/C=C/C(=O)NCC(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1 1875377045 QJJVBSAFGCWYAJ-CMDGGOBGSA-N 367.534 2.894 0 50 FFAA CN(C)[C@H](C(=O)Nc1ccc(CC(=O)NC2CC2)cc1)c1ccc(F)cc1 952982119 VKCDJBVOHXHQTK-FQEVSTJZSA-N 369.440 2.888 0 50 FFAA Cc1cccn2c(CC(=O)N3CCN(c4ncccc4Cl)CC3)cnc12 952967800 BYBQTTHDHVHYGJ-UHFFFAOYSA-N 369.856 2.582 0 50 FFAA Cc1nc([C@H](C)N(C)C(=O)Cc2ccc(-n3nnnc3C)cc2)c(C)s1 952971379 SEFABTZDTCAATK-NSHDSACASA-N 370.482 2.806 0 50 FFAA COc1ccc([C@H](NC(=O)c2noc3c2COCC3)C(F)(F)F)cc1F 888092819 IEABWBLJABADIK-AWEZNQCLSA-N 374.290 2.928 0 50 FFAA CCCOc1ccc(/C=C/c2nc(C)c(CC(=O)O)c(=O)[nH]2)cc1OC 170618832 CHOARVVWIYCZJL-SOFGYWHQSA-N 358.394 2.673 0 50 FFAA O=C(CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F)NC1CCCC1 280270813 CYTDTKSYWIHNMV-CZUORRHYSA-N 356.388 2.872 0 50 FFAA O=C(c1ccc(OCc2ccccc2)nc1)N1CC[C@@](O)(C(F)(F)F)C1 172624583 NWSHVPWZWAMYSB-KRWDZBQOSA-N 366.339 2.800 0 50 FFAA CN(Cc1ccn(-c2ccccc2)n1)S(=O)(=O)c1cncc(Cl)c1 754793903 ZTIHCTNXEMSVKR-UHFFFAOYSA-N 362.842 2.741 0 50 FFAA O=C1CC[C@@H]2CN(c3ccnc4ccccc34)CC[C@@H]2N1CCCCO 215526831 UGWJOUFFHVNNOU-APWZRJJASA-N 353.466 2.825 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1OCCOCC)C2 219643793 KLXDTHZKHJTFNL-SJORKVTESA-N 374.481 2.575 0 50 FFAA Cc1cc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c2ncccc2c1 1704345261 VGZPRXJOSBTTDE-IEBWSBKVSA-N 360.479 2.859 0 50 FFAA OC[C@]12CCOC[C@H]1CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)C2 1772708862 GKKZUBQTJDXSFI-VQIMIIECSA-N 359.857 2.628 0 50 FFAA O=C(c1cc(-c2ccccc2)on1)N1CCCN([C@@H]2CCSC2)CC1 1775980469 YCAYVSOOECLEIU-MRXNPFEDSA-N 357.479 2.995 0 50 FFAA COC[C@@H](C)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 12298471 CXORXLCVHDADQY-CQSZACIVSA-N 360.433 2.946 0 50 FFAA CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c1 12438794 XUVYUTGQXOVOJB-LJQANCHMSA-N 371.525 2.655 0 50 FFAA CN(C(=O)CSc1ncccn1)[C@H]1CCCN(Cc2ccccc2F)C1 12596644 RQRPMZOBHLFZLU-INIZCTEOSA-N 374.485 2.831 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(N2CCC(Oc3cccnc3)CC2)n1 19146860 LEDUWDOUEIGOSE-UHFFFAOYSA-N 364.453 2.937 0 50 FFAA Cc1noc(-c2ccc(N3CCCC[C@@H]3CCN3CCCC3=O)nc2)n1 19148035 XUQWGIRXJCIGEP-MRXNPFEDSA-N 355.442 2.811 0 50 FFAA O=C1NC[C@H](NCc2cc(F)ccc2F)n2nc(-c3cccs3)cc21 169754526 JRIIAJMIRQWEBF-MRXNPFEDSA-N 360.389 2.922 0 50 FFAA CCc1ncc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)cn1 1857671329 FHNBHGHNJVTMEG-CSODHUTKSA-N 365.433 2.730 0 50 FFAA Oc1nc(-c2cccnc2)nc2c1CC[C@@]21CCCN(C2CCOCC2)C1 1857702241 FUVUTJZOJBYNCS-OAQYLSRUSA-N 366.465 2.703 0 50 FFAA Cc1ccc2cccc(OCCNC(=O)[C@]3(C)CC34CCNCC4)c2n1 1857707663 XXYWTXAINUMNOU-FQEVSTJZSA-N 353.466 2.818 0 50 FFAA Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857730295 PUZQXGKOHBNCEN-XYJFISCASA-N 359.857 2.921 0 50 FFAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1OCc1ccccc1)C2 1875249117 IYUQRWAATZZTBL-MOPGFXCFSA-N 366.461 2.668 0 50 FFAA COc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)c1O 211990202 YEVQXXMFNSGZHR-WBVHZDCISA-N 367.449 2.532 0 50 FFAA CN(C)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 474703800 HXTZDBFQSZXZHJ-UHFFFAOYSA-N 358.405 2.638 0 50 FFAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2 6699423 GJTSNVPVFKGQGH-UHFFFAOYSA-N 352.239 2.521 0 50 FFAA C[C@H]1Cn2nc(C(=O)Nc3cccc(NCC(F)(F)F)c3)cc2CN1 2325795588 OKCWYGWEXTZVOZ-JTQLQIEISA-N 353.348 2.601 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N3CCc4ccccc4[C@H]3CC(=O)O)c2n1 2325808561 BAJKOJLSEYSMHI-QGZVFWFLSA-N 364.405 2.560 0 50 FFAA O=C(N=c1cc(-c2cccc(F)c2)o[nH]1)NC[C@@H]1NCCc2ccccc21 2325859201 QWNWGDITIVAYDZ-KRWDZBQOSA-N 366.396 2.911 0 50 FFAA C[C@@H](CCN=c1[nH]c2ccc(Br)cc2o1)NC(=O)CCF 2325867264 PQHZEABMWZRFIB-VIFPVBQESA-N 358.211 2.679 0 50 FFAA C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1cc(-c2cccs2)[nH]n1 1455935608 QWIBAEYMSPVAFA-CYBMUJFWSA-N 353.451 2.884 0 50 FFAA CS[C@@H]1CCC[C@H](NC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)C1 247634190 TYXLPFSIDSPIJB-XWTMOSNGSA-N 369.575 2.728 0 50 FFAA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccc1 921207 WULPQNRFCOQGAC-UHFFFAOYSA-N 353.447 2.653 0 50 FFAA CSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 1114087 OTKRACXPRMNUOU-UHFFFAOYSA-N 356.513 2.941 0 50 FFAA Cc1cc(F)cc(C(=O)N2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)c1 2356152709 XEABGZUWZQURTN-VQIMIIECSA-N 351.418 2.848 0 50 FFAA CCn1cc(C(=O)N(CCO)CCSc2ccc(Cl)cc2)cn1 55224693 GPOOXCOJBNVHBQ-UHFFFAOYSA-N 353.875 2.783 0 50 FFAA Cc1nn(-c2ccccc2)cc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O 282957861 YFVITJNKPMMCBB-YLJYHZDGSA-N 355.482 2.838 0 50 FFAA CC(=O)Nc1cccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 55154681 FBOAMZPCFKBCBU-IBGZPJMESA-N 353.422 2.861 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CC[C@H](Cc2cccc(CO)c2)C1 101872618 HJGCPARYOLDKTO-MRXNPFEDSA-N 371.506 2.610 0 50 FFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCC(=O)NC1CCCC1 55368641 AUYKGAWIQIZNRM-UHFFFAOYSA-N 372.444 2.809 0 50 FFAA O=C(CCN1CCCCO1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 55182777 RSDGLGZKAMHUTO-MRXNPFEDSA-N 356.426 2.818 0 50 FFAA O=C(NCCNc1cc(-n2cccn2)ncn1)c1cccc2ccccc12 67622414 UCRDFZSIPSUDDI-UHFFFAOYSA-N 358.405 2.657 0 50 FFAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)Cc3csc(C)n3)nc2)C1 20272788 NVTCSDJXCYLAPS-HNNXBMFYSA-N 374.510 2.982 0 50 FFAA C[C@H](Cc1cccnc1)NC(=O)c1cc(Cn2cnc3ccccc32)on1 67954899 ZUMUWHPRABGFAB-CQSZACIVSA-N 361.405 2.829 0 50 FFAA Cc1cc(C)n(CC[C@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)n1 65399229 DTRKUQWNXQGEAT-AWEZNQCLSA-N 350.426 2.812 0 50 FFAA Cc1ccc(C)c([C@@H](NC(=O)Cc2c(O)n[nH]c2C)c2cccnc2)c1 67946217 PBZZHNQULODVOV-IBGZPJMESA-N 350.422 2.884 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3cccnc3)C2=O)cc1 67822099 VSAKMMOUOVZJCG-JOCHJYFZSA-N 367.493 2.848 0 50 FFAA CC(C)c1cc(Cn2nc(C3CCNCC3)n(-c3ccccc3)c2=O)on1 67818225 WHIBEFXCRDUNBQ-UHFFFAOYSA-N 367.453 2.661 0 50 FFAA COc1ccccc1/C=C(/C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1 328595275 PTXWLLSDBYLQOC-XEYRCQSKSA-N 367.401 2.548 0 50 FFAA O=C(NC[C@H]1CCCCO1)c1cc(COc2c(F)cccc2F)on1 67965358 GTBNIQTXBXJLNB-LLVKDONJSA-N 352.337 2.831 0 50 FFAA COc1cccc(CN2CC3(CCN(C[C@@H]4CCOC4)CC3)CC2=O)c1 77406774 HABZIUNNKJTAOY-SFHVURJKSA-N 358.482 2.546 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC3CCCCC3)C2)n(C)n1 72169309 QAHWGSWDIOGHIN-QGZVFWFLSA-N 360.502 2.530 0 50 FFAA CNc1cc(N2CCC[C@@H]2CN[C@@H]2CCCc3ccc(O)cc32)ncn1 329736449 LLXWWJJKXZEGBO-CRAIPNDOSA-N 353.470 2.860 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 6923849 SDSUCHKQONXNQL-UHFFFAOYSA-N 354.472 2.545 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccccc1F 72410056 WHGQKOIXFZFOEK-KRWDZBQOSA-N 360.429 2.503 0 50 FFAA CCCc1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)no1 72127331 ZAEGCEZRZZVFSK-GOSISDBHSA-N 353.466 2.942 0 50 FFAA CN(CCCc1cnn(C)c1)c1nc(C2CCCC2)nc2c1cnn2C 72436602 GZMKBXBXDLELGA-UHFFFAOYSA-N 353.474 2.823 0 50 FFAA Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cn(CCC(C)C)nn3)c2)n1 151172767 PJGORLJJQMIZDD-UHFFFAOYSA-N 366.425 2.635 0 50 FFAA Nc1cc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc(Cl)n1 363100135 WOWLOKGMEJLIOS-SNVBAGLBSA-N 366.799 2.852 0 50 FFAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)C1CCS(=O)(=O)CC1 368599082 VOESNSVKTLDFIT-WMLDXEAASA-N 365.495 2.820 0 50 FFAA Cc1ccc(-n2[nH]c(C(=O)N3CCC[C@@H](OCC4CC4)C3)cc2=O)cc1 368754796 YQRGIDAXYGIMCU-QGZVFWFLSA-N 355.438 2.505 0 50 FFAA Cc1cccc([C@@H]2CCCN2C(=O)c2cn(C3CCNCC3)nn2)c1C 237871033 CCPBPKBCJWPSHG-IBGZPJMESA-N 353.470 2.797 0 50 FFAA CCN(CC)Cc1cc(C(=O)NCc2cn3nc(C)sc3n2)c(C)o1 218837260 XIQRKRZGIDAFJM-UHFFFAOYSA-N 361.471 2.772 0 50 FFAA CCCC[C@@H]1CN(CCNC(=O)c2ccc(=O)[nH]c2)Cc2ccccc2O1 14882635 BATUEXPPTUGGEO-GOSISDBHSA-N 369.465 2.558 0 50 FFAA COc1cc(Cl)cc(CN2CCOC[C@H]2CC(=O)O)c1OC(C)C 72135325 YJSBFNZQHBTNDN-CQSZACIVSA-N 357.834 2.811 0 50 FFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1cc(C)nc2onc(C)c12 263372458 YWLVUHMIESTNBJ-UHFFFAOYSA-N 369.377 2.519 0 50 FFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 14185648 PQCNPYPKHLCXOI-UHFFFAOYSA-N 374.506 2.819 0 50 FFAA CSc1nc2nnc3c(=O)n(-c4cccc(Cl)c4C)ccc3n2n1 71384732 AEMVMWPTENXHAQ-UHFFFAOYSA-N 358.814 2.507 0 50 FFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(Cc2ccccn2)CC1 177468627 IHSNSXDJBUMHRN-UHFFFAOYSA-N 365.437 2.873 0 50 FFAA C[C@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@@H](C)O1 17072669 LXLLITBRTAHXKW-AOOOYVTPSA-N 350.369 2.794 0 50 FFAA O=C(CCC(F)(F)F)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 48179363 ZIJRTRGOSGKIMG-CYBMUJFWSA-N 367.375 2.921 0 50 FFAA COc1cc(-c2cccc(C(=O)N[C@@H]3CCOC3)c2)cc(OC)c1OC 426634180 LIXIOFRFCBYESQ-MRXNPFEDSA-N 357.406 2.898 0 50 FFAA Cc1csc(CCCNC(=O)Cn2c(C)cc(=O)c3ccccc32)n1 223436645 OIZFUUFOICUMTK-UHFFFAOYSA-N 355.463 2.824 0 50 FFAA Cc1nc([C@@H](C)N(C)C(=O)NCCSc2nccn2C)c(C)s1 426667512 PRJPWZLVAIMFBE-SNVBAGLBSA-N 353.517 2.988 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc(-c3ccsc3)n[nH]1)C2 222354929 ULXSEWUODMLHPW-KRWDZBQOSA-N 371.466 2.824 0 50 FFAA O=C(NCCSC(F)(F)F)Nc1ccccc1CN1CCOCC1 48148831 NMOUWSVZTLSULT-UHFFFAOYSA-N 363.405 2.893 0 50 FFAA Cn1ncc(C(=O)N2CCc3ccccc32)c1C(=O)N1CCc2ccccc21 20616921 RJPHRPBIQZCLRU-UHFFFAOYSA-N 372.428 2.826 0 50 FFAA NCCOc1ccc(F)cc1C(=O)N1CC(Oc2cccc(Cl)c2)C1 426526537 XLEDDOYUPATIJN-UHFFFAOYSA-N 364.804 2.720 0 50 FFAA CC(C)Cc1cc(CN2CCn3nc(CNC(=O)C4CCC4)cc3C2)no1 426512001 DPAQITRPEGQPCP-UHFFFAOYSA-N 371.485 2.502 0 50 FFAA CN(C)c1cccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 91779735 CKKBRJUFNQEIBJ-NRFANRHFSA-N 355.482 2.617 0 50 FFAA CNC(=O)c1[nH]nc2c1CN(Cc1ccccc1-c1ccc(C)o1)CC2 97155890 MNBMZUPWMQMOLQ-UHFFFAOYSA-N 350.422 2.896 0 50 FFAA Cn1nc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c2c1CCCC2 97436848 MSCDYWKWLYVTLY-NRFANRHFSA-N 365.433 2.549 0 50 FFAA CC(C)c1nnc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)s1 92028118 QLIBOFCQJSWBFV-WCQYABFASA-N 363.512 2.745 0 50 FFAA Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCc4[nH]cnc4C3)sc21 95384830 JMWUQUXATRXMIT-UHFFFAOYSA-N 355.345 2.575 0 50 FFAA Cc1cccc(C(=O)N2CCn3nc(CNc4ncccn4)cc3C2)c1C 426383737 DGKVBFBSFSNSHW-UHFFFAOYSA-N 362.437 2.558 0 50 FFAA Cc1cccc(=O)n1CCC(=O)N1CCC[C@H](OCc2ccccc2)C1 97307688 QBDPKUFWCSTCOI-IBGZPJMESA-N 354.450 2.755 0 50 FFAA O=C1CCCCN1CCC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1 97495388 LZRIOPJHTMXXKX-UHFFFAOYSA-N 367.449 2.719 0 50 FFAA Cc1nccn1CCC1CCN(C(=O)c2cccc(-n3cnnc3)c2)CC1 91585932 VWJDLVXBTGZBLW-UHFFFAOYSA-N 364.453 2.715 0 50 FFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C)Sc1nnc(O)nc1O 238937277 UXEDYYWVDVLBNH-KXNHARMFSA-N 355.460 2.767 0 50 FFAA COc1ccc([C@H](C)N(C)C(=O)c2ccnc(-n3cnnc3)c2)c(OC)c1 97475027 AXVWRNPVSKYAGM-ZDUSSCGKSA-N 367.409 2.513 0 50 FFAA CN1CCC(N(Cc2ccncc2)C(=O)[C@@H]2COc3ccccc3C2)CC1 91425712 VILPSJMPJVKRJQ-IBGZPJMESA-N 365.477 2.756 0 50 FFAA Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 91575051 AOPNZPXORAZJNH-FUHWJXTLSA-N 370.522 2.781 0 50 FFAA O=C(CCCN1CCN(Cc2ccccc2)C[C@@H](O)C1)c1ccc(F)cc1 95501551 DGDMRRPGRVLTIN-NRFANRHFSA-N 370.468 2.967 0 50 FFAA CC(=O)c1cc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)cs1 96164266 BPLUPVNNYQMAOI-AWEZNQCLSA-N 356.447 2.754 0 50 FFAA CC[C@@H](NC(=O)Cn1cnc2ccsc2c1=O)c1nc(C)c(C)s1 244872745 WDQMASFMJKHGDL-LLVKDONJSA-N 362.480 2.799 0 50 FFAA Cc1oc(CNC(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)O 299749683 LHNKCIBSNFWFMU-HNNXBMFYSA-N 359.378 2.774 0 50 FFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1cccc2ncccc12 252532912 FLFHHEGLVIIICD-GOSISDBHSA-N 374.400 2.888 0 50 FFAA COc1ccccc1OC1CN(C(=O)N[C@H]2COC3(CCCCC3)C2)C1 534590779 RDVIMBVWXYNHHI-OAHLLOKOSA-N 360.454 2.960 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCN(CC3CCCC3)CC2)c1C 299769697 SZSFLDYPAUMMLR-HNNXBMFYSA-N 374.529 2.988 0 50 FFAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCC(c3nncn3C)CC2)c1 822559346 MTCGXAXOIXUMFG-CQSZACIVSA-N 369.469 2.820 0 50 FFAA O=C(Cc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1)NC1CC1 827848709 PACWDSQGIRKKFV-UHFFFAOYSA-N 360.417 2.946 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1cc2c(nc1O)CCC2 670471201 GXHAOFQFULQBND-CQSZACIVSA-N 357.479 2.732 0 50 FFAA CC[C@H](NC(=O)C1(C(=O)O)CCC1)[C@H](O)c1ccc(C(F)(F)F)cc1 1875270797 CCTZMEVWZPXECC-QWHCGFSZSA-N 359.344 2.889 0 50 FFAA Cc1ccnc(N2C[C@H]3CN(C(=O)c4cc5cc(F)ccc5o4)C[C@H]3C2)n1 1875309439 STSZHBNEOUYMPT-GASCZTMLSA-N 366.396 2.879 0 50 FFAA C[C@@H]1CCCCN1c1cc(C(=O)NC[C@@H]2CC3(CCOCC3)O2)ccn1 1875325692 SSKLKCNSQRFYGV-WBVHZDCISA-N 359.470 2.528 0 50 FFAA Cc1cccn2c(CC(=O)Nc3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cnc12 952983873 WZCNSTNVRRUKTJ-ZDUSSCGKSA-N 364.405 2.568 0 50 FFAA CC(C)c1nnc([C@H]2CN(C(=O)c3cnc(C(C)C)s3)CCO2)o1 275439894 SGNMPEWHSHLXHI-LLVKDONJSA-N 350.444 2.987 0 50 FFAA CC(C)(O)C1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 276682485 LTYJMCQFOQQNII-CYBMUJFWSA-N 372.296 2.984 0 50 FFAA CCO[C@H]1C[C@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)O)C1(C)C 193040978 DMZSXDUIBIBRBJ-SJCJKPOMSA-N 364.423 2.791 0 50 FFAA O=C(CCc1cccc(O)c1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 1349701838 GGTJYSRMZDTYNM-OAQYLSRUSA-N 368.477 2.732 0 50 FFAA COc1ccc(S(=O)(=O)NCc2noc(C3CCCC3)n2)cc1Cl 1506398781 TWIHNGYITIDNNB-UHFFFAOYSA-N 371.846 2.868 0 50 FFAA O=C(NCc1[nH]nc2ncccc12)[C@H](c1ccc(F)cc1)N1CCCCC1 1772807246 SQOYCHYPSVEGGD-SFHVURJKSA-N 367.428 2.940 0 50 FFAA CC[C@@]1(CCC(=O)NCC2(c3ccccc3)CCOCC2)CCC(=O)N1 12511609 OHNXUMMXJLBSNA-OAQYLSRUSA-N 358.482 2.690 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4nonc4C)C3)C2)c1 12589050 FPFREODJYDIOOR-HXUWFJFHSA-N 354.454 2.815 0 50 FFAA Cc1nc(CNC(=O)c2cn(Cc3ccccc3Cl)nn2)sc1C 15074436 TYEFWEIRHUNINW-UHFFFAOYSA-N 361.858 2.983 0 50 FFAA c1ccc(C[C@@H]2CN(C3CCN(Cc4ccccn4)CC3)CCO2)cc1 15076639 CQDUPGIWVWULNI-JOCHJYFZSA-N 351.494 2.990 0 50 FFAA O=C(NCc1ccc2sccc2c1)c1cc(CN2CCOCC2)on1 19594763 DNNZPJOKHPMHBC-UHFFFAOYSA-N 357.435 2.652 0 50 FFAA O=C1NC[C@H](NCc2ccc(F)cc2F)n2nc(-c3ccccc3)cc21 169779249 ZTDLBBVZPPFBLO-GOSISDBHSA-N 354.360 2.860 0 50 FFAA COc1ccccc1-c1nc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c(C)o1 1857669485 VYMFJDQNAZZGAK-VBKZILBWSA-N 372.421 2.582 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3ccncc3)C1)CC2 1857729182 MDHMCYRHHVPVPW-NRFANRHFSA-N 366.465 2.995 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncnc2c1cnn2C(C)(C)C 328620934 HLEGJUVBXSXOII-KBPBESRZSA-N 355.446 2.740 0 50 FFAA O=C(O)c1cc(C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)ccn1 238158191 FGIKMMOTWBFSMO-MRXNPFEDSA-N 358.369 2.740 0 50 FFAA O=C(NCC1(c2cccc(Cl)c2)CCCCC1)N1CCO[C@@H](CO)C1 459093049 YZCKYBAMERRSBQ-QGZVFWFLSA-N 366.889 2.945 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)n(C)n1 491436575 ZBECZVAYHZJUNQ-LLVKDONJSA-N 355.364 2.501 0 50 FFAA C[C@@]1(c2noc(C[C@H]3NC(=O)c4ccccc43)n2)COc2ccccc2O1 906142006 PIHJKHNZLINSHP-VLIAUNLRSA-N 363.373 2.783 0 50 FFAA Cc1cc(C)c2c(NC(=O)CCc3ccc4c(c3)OCO4)nn(C)c2n1 1142974259 NPZGDGNYDYWUQN-UHFFFAOYSA-N 352.394 2.885 0 50 FFAA O=C(O)[C@]1(Cc2cn(Cc3ccc(-n4ccnc4)cc3)nn2)CC=CCC1 2325806841 JXULZZUJAXHDFO-HXUWFJFHSA-N 363.421 2.866 0 50 FFAA Cc1scc(C(=O)N[C@@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1C 2325842833 JUYQGGBAVHMENJ-CYBMUJFWSA-N 360.483 2.856 0 50 FFAA N[C@@H](CNC(=O)c1cc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1F 2325858186 CBPLOKBLYNRHMX-LBPRGKRZSA-N 350.756 2.924 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C 928390898 YZKUYAAMOPDFEV-GFCCVEGCSA-N 354.372 2.843 0 50 FFAA CCOC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1 1117374 OYOFVRWZGNVVDR-UHFFFAOYSA-N 370.243 2.630 0 50 FFAA C[C@H](CCc1ccccc1)NC(=O)C(=O)NC[C@@H]1OCCc2ccccc21 2810511 SSCDKSJSYJVGGE-UZLBHIALSA-N 366.461 2.554 0 50 FFAA CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCCOCC 4065316 PFOMQADCLJLBHE-QGZVFWFLSA-N 362.426 2.683 0 50 FFAA COc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1 4685683 XDMRFEFMEXUCBH-UHFFFAOYSA-N 369.465 2.855 0 50 FFAA O=C(NCC1(c2cccc(F)c2)CCOCC1)c1ccc2[nH]nnc2c1 55451633 BCKKAMXVHXXGSO-UHFFFAOYSA-N 354.385 2.575 0 50 FFAA Cc1cc([C@H](C)NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c(C)s1 115208138 NXBSPPXHUBBCHU-XLWVJDPXSA-N 374.510 2.885 0 50 FFAA CC(C)n1c(S)nnc1CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 116196568 WKLOJEHSBIDOIP-WDEREUQCSA-N 366.437 2.888 0 50 FFAA CCOc1ccccc1CN1CCN(Cc2cccc(O)c2)C[C@H]1CCO 107100643 XSJAFCRLGAKAKK-HXUWFJFHSA-N 370.493 2.860 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)c(F)c1 20363335 NIJVJZQBWXQTRH-SFHVURJKSA-N 374.456 2.609 0 50 FFAA CCCc1cncnc1N1CCN(C2CCN(Cc3ccco3)CC2)CC1 65398711 QJZJLRYXYVPOMP-UHFFFAOYSA-N 369.513 2.809 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@H](C)c3nccs3)cnn2c1 67921257 BXYLGDQJAJAMLY-GFCCVEGCSA-N 358.471 2.519 0 50 FFAA Cc1nc(N)ncc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67757359 HYZOHAIXVPYFPP-OAHLLOKOSA-N 362.437 2.777 0 50 FFAA O=C(c1ccc[nH]c1=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 67820289 SRYAWCNMLIXZHY-UHFFFAOYSA-N 355.781 2.882 0 50 FFAA O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 61799253 RMSPVFLVJGQPDF-UHFFFAOYSA-N 369.431 2.836 0 50 FFAA COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c(F)c1 252497110 PZKXLKLIANHGOM-UHFFFAOYSA-N 364.398 2.984 0 50 FFAA CC(=O)N[C@H](C)C(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 67724970 XQSMUHQNKPPKJG-GFCCVEGCSA-N 374.872 2.961 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1NC(=O)c2ccccc21 20878174 KIUVSAZDTRZXJQ-OAHLLOKOSA-N 352.419 2.525 0 50 FFAA Cc1c([C@@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)cnn1C 67562773 IWECMWRDEPNZAL-HXUWFJFHSA-N 351.454 2.616 0 50 FFAA Cc1nccn1-c1ccccc1CNc1nccc(N2CCC[C@@H](O)C2)n1 65409285 DUTKKGRXFOZWBX-QGZVFWFLSA-N 364.453 2.544 0 50 FFAA Cc1c([C@H]2c3nc[nH]c3CCN2CCOCc2ccccc2)cnn1C 67562778 IWECMWRDEPNZAL-FQEVSTJZSA-N 351.454 2.616 0 50 FFAA C[C@H]1CCCC[C@H]1NC1=NN/C(=C2\C=NC(C(=O)N3CCCC3)=C2)CS1 253393688 PCRUJGUFAFIGQF-OXQDHMBESA-N 373.526 2.607 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 283706141 SUOGGJGPDSBOSK-LMCLKVLCSA-N 368.481 2.707 0 50 FFAA COc1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=S)c(OC)c1 2788946 NMPJNVIHELIQKO-INIZCTEOSA-N 354.431 2.762 0 50 FFAA Cc1nc(N(C)C)nc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1C 77540909 SWYVZVIJLYBITK-FQEVSTJZSA-N 357.502 2.531 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 12649147 CEVDAKZMDQZIES-IRXDYDNUSA-N 353.422 2.772 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCc3sccc3C2)n(C)n1 216301328 CGLDOZKFSXSACF-UHFFFAOYSA-N 355.467 2.697 0 50 FFAA Cc1ccc([C@@H]2CN(C(=O)c3nc[nH]c3C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72427797 ZEQBMSLMLLQGGG-DFQSSKMNSA-N 350.466 2.729 0 50 FFAA Cc1nccn1CCN(C)Cc1ccccc1OCC(=O)N1CCCCC1 216192766 MVFILHWHIPYDJX-UHFFFAOYSA-N 370.497 2.715 0 50 FFAA CCCc1nnc2sc(C[C@@H]3CN(Cc4ccccc4)CCO3)nn12 71747662 RPPJLZYGKZYQHE-OAHLLOKOSA-N 357.483 2.582 0 50 FFAA C[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[S@@](=O)C1 285454094 YHGGOYCCTSWVCT-CFMSYZGJSA-N 357.273 2.791 0 50 FFAA CC[C@@H](C)n1ncc(C(=O)N2CCC(Nc3nccc(OC)n3)CC2)c1C 241161356 KADQIXWHCYPAQI-CYBMUJFWSA-N 372.473 2.678 0 50 FFAA Cc1ncsc1CCN(C)C(=O)c1cn2c3c(cccc3c1=O)CC2 72419100 VOVBZIUEFHYZCZ-UHFFFAOYSA-N 353.447 2.637 0 50 FFAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)c1 72427800 GEZOEXLDEWIJKO-IBGZPJMESA-N 370.493 2.905 0 50 FFAA CCCc1cc(C(=O)N2CCC3(CC2)CN([C@@H](C)CCC)C(=O)O3)[nH]n1 72447740 CAOXIEDAYLYPCN-AWEZNQCLSA-N 362.474 2.978 0 50 FFAA Cc1ccc(-c2nc(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)cs2)o1 285745989 JGIKCIHSPKTVEZ-UHFFFAOYSA-N 373.356 2.558 0 50 FFAA O=C(Nc1cnn(-c2ncccn2)c1)[C@@H]1CCCCN1Cc1ccccc1 175104151 ACFZQNPHNFTPQM-SFHVURJKSA-N 362.437 2.656 0 50 FFAA Cc1cnc(C)c(N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 72436565 SMAKPWRQFGLUPJ-KRWDZBQOSA-N 369.517 2.592 0 50 FFAA CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cnc(C)c(C)c1 72419319 PDAZHARJCUGPKH-IBGZPJMESA-N 358.530 2.511 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@H](c3cc(N4CCOCC4)ncn3)C2)c1 72473254 CRBXKACTUOIBNX-GOSISDBHSA-N 366.465 2.641 0 50 FFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(N3CCNC3=O)c2C)C12CCC2 132852293 DIDMEZDEPQLWBX-MSOLQXFVSA-N 371.481 2.944 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2cncn2C)CCCN1Cc1ccc(F)cc1 71774693 ADSRTLDNOISWQV-LJQANCHMSA-N 358.461 2.932 0 50 FFAA Cn1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c2ccccc21 222710762 YNARSUSXLZXVMY-SJLPKXTDSA-N 371.462 2.739 0 50 FFAA CC1(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CCNCC1 220021173 NWOBHKIVJYDNED-KVWWFHCMSA-N 353.466 2.553 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)N3CCc4ccccc43)CC2)n1 178076293 ZKFZFTNCDFEWGE-UHFFFAOYSA-N 367.453 2.570 0 50 FFAA CCC(=O)N1CC[C@@H](NC(=O)c2ccc(N(C)c3ccccc3)nc2)C1 178128648 UWZTUEHDWBIXGD-MRXNPFEDSA-N 352.438 2.590 0 50 FFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2CCN2CCOCC2)c1C 82162229 IQXTWTXUWSOCAO-QGZVFWFLSA-N 361.486 2.551 0 50 FFAA C[C@@H](Cc1ccccn1)NC(=O)N1CCN(CCc2ccccc2)CC1 426598903 OILNZSYWNIZSRG-SFHVURJKSA-N 352.482 2.583 0 50 FFAA COCCN1CC[C@@H](CNCc2cnc(-c3ccc(Cl)cc3)nc2)C1 131540779 QVDZTTOEOWROSQ-HNNXBMFYSA-N 360.889 2.855 0 50 FFAA O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225412023 QVMLHWVAIQLMOE-AEFFLSMTSA-N 361.445 2.839 0 50 FFAA biogenic Cc1nn(CCC(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)c(C)c1C 91643601 HXXGXMRBEHMRLT-ZWKOTPCHSA-N 355.438 2.525 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)NCCc1noc([C@@H]2CCCO2)n1 91974232 HCQAQNMVDCHDAP-NSHDSACASA-N 350.444 2.782 0 50 FFAA COc1cccc2c1OC[C@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)C2 92028963 STWPIWQXLDUHGD-OAHLLOKOSA-N 367.449 2.540 0 50 FFAA O=C(NCCCn1nnc2ccccc21)c1ccc([C@H]2CCCNC2)cc1 95369119 RDPLKOMXLPSITE-SFHVURJKSA-N 363.465 2.718 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)n1 426494491 YDICUMSZZMHKED-ZDUSSCGKSA-N 363.845 2.637 0 50 FFAA CCCOc1ccccc1CCNC(=O)c1ccc2[nH]c(CO)nc2c1 97505584 WDGWZQGJMPXOAO-UHFFFAOYSA-N 353.422 2.817 0 50 FFAA COCc1noc([C@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)n1 181502103 GNXSYBXNFARKLO-ZDUSSCGKSA-N 350.850 2.748 0 50 FFAA CCCc1cc(N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)nc(C)n1 95381956 HQVNAKXAAWGZPC-OXQOHEQNSA-N 353.422 2.805 0 50 FFAA O=C(CC1CCC1)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 96136659 KKYLCLZZPFOZRO-UHFFFAOYSA-N 368.485 2.754 0 50 FFAA CN1CCCCC[C@H]1C(=O)N(CCCn1ccnc1)Cc1cccnc1 97681774 DWKOEYWAFIPBTQ-IBGZPJMESA-N 355.486 2.571 0 50 FFAA C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@H]([C@H](C)N)C1 269292320 UTVZPLMKYVQXJK-SRVKXCTJSA-N 373.266 2.941 0 50 FFAA Cc1noc(C2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)n1 299130909 ZBWZSSKAEADYHA-SFHVURJKSA-N 371.437 2.956 0 50 FFAA Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)cc(C)n1 253378359 CIWRWKCTJPLALI-HQRMLTQVSA-N 352.434 2.875 0 50 FFAA O=C(O)c1cccc(CNC(=O)c2cc(N3CCCC3=O)ccc2F)c1 299744355 OIYQANBJURINLQ-UHFFFAOYSA-N 356.353 2.581 0 50 FFAA N[C@@H]1CCC[C@H](C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)C1 299749042 IYGZNOLXUHSBAH-YESZJQIVSA-N 355.482 2.647 0 50 FFAA CCOC(=O)c1nnsc1NC(=O)OC[C@H]1CCCN2CCCC[C@@H]12 254513049 XCUBYCZGMXVMHV-NEPJUHHUSA-N 368.459 2.528 0 50 FFAA C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)Cc1nc(O)c2cnn(C)c2n1 253537381 SYRIDYLFFCOATM-LBPRGKRZSA-N 363.425 2.652 0 50 FFAA COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 263616610 JRPMZJYOKAHUGS-KRWDZBQOSA-N 354.435 2.652 0 50 FFAA CC1CCC(NC(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)CC1 263615213 BEUGQAOWBQBWDG-UHFFFAOYSA-N 351.410 2.805 0 50 FFAA Cc1cccnc1NCCNC(=O)N1CCC(OCc2cccnc2)CC1 534580363 LNWIUPFJGLHEPW-UHFFFAOYSA-N 369.469 2.588 0 50 FFAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cc(Cl)ccc1F 299793895 IBVCFSCAWLTBDB-UHFFFAOYSA-N 353.825 2.889 0 50 FFAA CCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccco2)(c2ccccc2C)C1=O 299757646 IETITMDLKVVAGM-NRFANRHFSA-N 368.433 2.653 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](c4nc(C)no4)C3)cc2)n1 299791693 FFOPJZGQKNMORB-INIZCTEOSA-N 351.410 2.810 0 50 FFAA COCc1nc(NCc2c(C)cc(C)nc2OC)cc([C@@H]2CCOC2)n1 299801024 VAQPMXMLSDMNMR-CQSZACIVSA-N 358.442 2.759 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c1 824313333 JXHGEKYWLCYAJS-OAHLLOKOSA-N 374.437 2.784 0 50 FFAA CN1Cc2ccc(CN(C)C(=O)NCCSc3ccccn3)cc2C1 584893310 JKKQCRVQZMVILC-UHFFFAOYSA-N 356.495 2.961 0 50 FFAA CN(C)C/C=C/C(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1875376747 HFFMBHIJDUAZPM-MZEUMTGBSA-N 373.497 2.582 0 50 FFAA COc1cc(Cn2c(C(C)C)noc2=O)cc(Br)c1OC 1875391610 JBYFBUWPBNYZEA-UHFFFAOYSA-N 357.204 2.788 0 50 FFAA COc1ccc([C@H](C)C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cc1 271236410 AGRQIFKQGFJLDQ-AWEZNQCLSA-N 361.486 2.887 0 50 FFAA Cn1cnnc1SCC(=O)N(Cc1ccccc1)Cc1nccs1 952984997 DMPMRXXSRVUJPK-UHFFFAOYSA-N 359.480 2.593 0 50 FFAA Cn1ncc2cc(S(=O)(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)cnc21 1320431624 UFVWEJKYQXMCTM-MRXNPFEDSA-N 374.441 2.503 0 50 FFAA O=C(NCc1ccco1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275767746 BNHZDVAACXUXPB-INIZCTEOSA-N 356.426 2.638 0 50 FFAA COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cccc3nccn23)cc1 779543063 SNRGWFZQUVIBBO-GOSISDBHSA-N 364.449 2.910 0 50 FFAA COc1ccc2nc(C)c(C(=O)N3C[C@H](C)OC4(CCOCC4)C3)cc2c1 791074855 VTDZOIDZIKHIMB-AWEZNQCLSA-N 370.449 2.962 0 50 FFAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCCN(C(=O)c2ccco2)CC1 1506397896 YTUWNBDSOUTJDJ-GOSISDBHSA-N 372.421 2.570 0 50 FFAA CCc1cc(N[C@H]2CCN(Cc3ccccc3)C2)nc(N2CCOCC2)n1 1529103962 IOUCCOFTTDBTGZ-IBGZPJMESA-N 367.497 2.562 0 50 FFAA Cc1ccn(CCC(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1529167609 OPVITHJSAVVQFK-YLJYHZDGSA-N 364.449 2.504 0 50 FFAA COc1cc(F)ccc1CN1CC[C@H](O)[C@@](Cc2ccccc2)(C(=O)O)C1 1704355177 MPGUFZYEJBDVAB-FPOVZHCZSA-N 373.424 2.715 0 50 FFAA COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC 981069 HNTIYWXFVDEGBP-NTEUORMPSA-N 354.362 2.810 0 50 FFAA CN1CCC(N2CCC[C@H](NC(=O)c3ccc(F)c(Cl)c3)C2)CC1 12051762 KSRWQOLHHGAFRO-AWEZNQCLSA-N 353.869 2.768 0 50 FFAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCO2)CC1 12442601 FDCWNTQPDZJCCD-LJQANCHMSA-N 358.482 2.843 0 50 FFAA COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NC(C)C 13681949 UUFOMHXGQDWDEV-UHFFFAOYSA-N 366.414 2.773 0 50 FFAA CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCc3ccccc32)c1 16624530 ODSYPVRXYRGAOW-UHFFFAOYSA-N 362.426 2.669 0 50 FFAA Cc1ccc(N2C(=O)C[C@@H](NCc3ccc4c(c3)OCO4)C2=O)cc1Cl 19782530 BGPNXUWRKYVFOK-OAHLLOKOSA-N 372.808 2.799 0 50 FFAA COc1ccccc1Cc1noc(CCN2C(=O)COc3ccccc32)n1 19795202 SWCWPNLRSFYUIG-UHFFFAOYSA-N 365.389 2.637 0 50 FFAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(Cc3cn(-c4ccccc4)nn3)C[C@H]21 1857729917 WJDJWKRRPWLMQW-XAMWDVODSA-N 366.465 2.701 0 50 FFAA O=S(=O)(c1ccc(-c2cnc3cc(F)ccc3c2)cc1)N1CCNCC1 1875244588 OYQUCUICNQDSFU-UHFFFAOYSA-N 371.437 2.635 0 50 FFAA CCCc1nc(C(=O)N2CC[C@H](n3cccn3)C2)nn1-c1ccccc1F 328594044 KWTVOSXJZGUTBL-AWEZNQCLSA-N 368.416 2.643 0 50 FFAA CC(C)(C)[C@@H]1CN(C(=O)c2cn([C@H]3CCCNC3)nn2)c2ccccc21 333604305 QXWAJZPPLBEIGM-GOEBONIOSA-N 353.470 2.993 0 50 FFAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 237329395 SVYQSNJWQFIFPF-ZJUUUORDSA-N 354.369 2.592 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1c1ccc(F)cc1F 368322350 TXZKHFMHOZJWNL-NEPJUHHUSA-N 354.740 2.887 0 50 FFAA COc1ccc(-c2cc(C(=O)N3CCOC[C@H]3C(=O)O)sc2C)cc1 263158817 OMDDJRANLOWIPH-HNNXBMFYSA-N 361.419 2.658 0 50 FFAA Oc1nc2c(-c3nc(-c4cn(Cc5ccccc5)nn4)no3)cccc2o1 904772244 MEVNFLYPUZNLEM-UHFFFAOYSA-N 360.333 2.890 0 50 FFAA C[C@@]1(C(=O)N2CCCc3c(OC(F)F)cccc32)CCCS1(=O)=O 905825509 RNCRHDQGYSWONX-INIZCTEOSA-N 359.394 2.535 0 50 FFAA Cc1cc(C)nc(-n2[nH]c(C(=O)N(C)[C@H](C)C3CCCCC3)cc2=O)n1 908046657 IXGXRHOCSYRECA-CQSZACIVSA-N 357.458 2.613 0 50 FFAA CCC[C@H](CNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)O 836756406 HCOCWWAPESDKBG-HZPDHXFCSA-N 360.454 2.664 0 50 FFAA CC[C@@H]1CCCN(C(C)(C)CNC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1 2325754294 YYQJMBQROASBHY-QHJWMHHASA-N 358.570 2.986 0 50 FFAA CCc1nc2ccccc2n1CC(=O)N(C)[C@H]1CCN(c2ccncc2)C1 2325783922 LAJQJEKEEHDKQJ-KRWDZBQOSA-N 363.465 2.731 0 50 FFAA CC1(C)C[C@H](NC(=O)c2ccc3cccnc3c2)CN1C(=O)[C@@H]1C[C@H]1F 2325871219 CEBYNEPXQUEOJJ-ARFHVFGLSA-N 355.413 2.702 0 50 FFAA O=C(O)C[C@@H]1CN(c2ncnc3[nH]c4cc(F)ccc4c23)CC2(CCC2)O1 2332239543 HVBAXYAKMOCXCC-GFCCVEGCSA-N 370.384 2.853 0 50 FFAA Cc1ccc(-c2n[nH]c3c2CN(C(=O)c2sc(N)nc2C)CC3)cc1 23543578 XHRSCWKLZJQDJA-UHFFFAOYSA-N 353.451 2.931 0 50 FFAA Cc1c(CC(=O)O)c(=O)oc2cc(O[C@@H](C(=O)O)c3ccccc3)ccc12 2146791 NQHVNLINTKEZCO-GOSISDBHSA-N 368.341 2.933 0 50 FFAA biogenic CC(=O)O[C@@H](C(=O)NC(=N)Nc1nc2ccccc2o1)c1ccccc1 2283376 BIQULEMGPZBKDC-OAHLLOKOSA-N 352.350 2.595 0 50 FFAA O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356142652 BFRDQFRJDDNEJY-HXUWFJFHSA-N 363.421 2.626 0 50 FFAA COCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3O)cc2C1=O 2875551 RCFCIXQPPIYPRR-UHFFFAOYSA-N 374.780 2.540 0 50 FFAA COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 4837758 FAZBLHIRIQODQF-UHFFFAOYSA-N 354.406 2.852 0 50 FFAA CN1CCC[C@@H]2CN(C(=O)CCc3nc(-c4cccs4)no3)CC[C@H]21 248075262 MWHICYKRFAHLEI-ZIAGYGMSSA-N 360.483 2.673 0 50 FFAA O=C([C@@H]1CCOC1)N1CCc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2C1 23478736 BUWKOPHZXGDBRL-HIHZZFLASA-N 355.482 2.799 0 50 FFAA COc1ccc(-n2c(Cc3c[nH]c4ccccc34)n[nH]c2=O)cc1OC 67855871 UQERCNXYFNJRJE-UHFFFAOYSA-N 350.378 2.650 0 50 FFAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)C[C@@]2(C)CCN(C)C2)no1 67934514 JAQQSNSPRJIDNU-NRFANRHFSA-N 370.497 2.720 0 50 FFAA NC(=O)c1ccnc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 65423850 XTDYIVVBBWMZPK-UHFFFAOYSA-N 365.264 2.810 0 50 FFAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](CO)N(C(=O)OCc2ccccc2)C1 306948837 UMIGHSYDRZFWNL-JKSUJKDBSA-N 364.442 2.673 0 50 FFAA CC(C)c1ccc(CC(=O)NCc2cccnc2N2CCN(C)CC2)cc1 67954779 VVAFFMBXCULEPE-UHFFFAOYSA-N 366.509 2.816 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)nc(C)n1 328638163 OZKZOHJOTAAHSL-MRXNPFEDSA-N 371.510 2.677 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(C)c(C)c1 65362693 UEELHAZHMXVYAG-QGZVFWFLSA-N 352.500 2.542 0 50 FFAA CN(C(=O)Nc1cccc(C(N)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 173560625 DXORTNJBTKXUOZ-LJQANCHMSA-N 366.465 2.914 0 50 FFAA CN(C)[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 65526363 WYOGBQAPXURODI-QAPCUYQASA-N 354.406 2.708 0 50 FFAA COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC 537874 QQQIECGTIMUVDS-UHFFFAOYSA-N 358.438 2.574 0 50 FFAA biogenic,world Cc1cc2ncn(Cc3cc(C(=O)N4CCSCC4)n[nH]3)c2cc1C 12198840 KOELDLRPINYWHO-UHFFFAOYSA-N 355.467 2.614 0 50 FFAA Cc1nccc(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 72410804 WXKCFTIQWRNVHL-HXUWFJFHSA-N 351.454 2.589 0 50 FFAA CCCC(=O)N1CCC(N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 219355637 HEKCZUIQVGQOJB-MOPGFXCFSA-N 364.461 2.743 0 50 FFAA COc1ccc2[nH]c(=O)c(CN3CCC[C@@H](c4nccn4C)C3)cc2c1 215804398 NWQVLNLAIAUJTB-CQSZACIVSA-N 352.438 2.650 0 50 FFAA CCC1=C(C(=O)N2CCCC[C@H]2c2ccc(C(=O)NC)n2C)CCCO1 366074408 CNRUXSSKNAWLPA-INIZCTEOSA-N 359.470 2.913 0 50 FFAA Cc1ccc(-c2nnc(S)n2CCC(=O)NC[C@]2(C)CCCO2)cc1 153024027 FHQDJJUKCSHSNX-SFHVURJKSA-N 360.483 2.618 0 50 FFAA Cc1noc(C)c1C(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 128688617 RREGCJNNUABEQS-GFCCVEGCSA-N 354.815 2.545 0 50 FFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCC[C@H]1CCN(C)C 72458136 ZORDETVUVWTZIM-KRWDZBQOSA-N 353.470 2.793 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c1 156504484 BDKUMVSVUGAECU-QGZVFWFLSA-N 355.438 2.625 0 50 FFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@H](OCc2cccnc2)C1 77540368 LJQHWUADCWVUMH-GFCCVEGCSA-N 354.332 2.645 0 50 FFAA CCOC(=O)C1CCC(O)(CN2CC[C@H](n3cc4ccccc4n3)C2)CC1 370706641 MRQULBPNOBXCQD-JGCRXCKMSA-N 371.481 2.768 0 50 FFAA CCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)cs1 219221921 DNPCSRGBLXYICH-GDBMZVCRSA-N 361.467 2.595 0 50 FFAA Cc1ccc2[nH]c(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc2c1 216118536 ZZLRPQTZKYIUDG-FQEVSTJZSA-N 364.449 2.675 0 50 FFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@]4(CC3)CNC(=O)O4)c12 72121547 SCNMJAQUTIIHMT-IBGZPJMESA-N 370.409 2.513 0 50 FFAA COc1cccc(-n2cc(CNC(=O)c3nn(C)c4ccccc34)cn2)c1 219661910 KKKRBLPSBZFAPO-UHFFFAOYSA-N 361.405 2.698 0 50 FFAA Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC(=O)N4C)C2)c1 130793387 QKOPQZWMURNTHG-QGZVFWFLSA-N 352.438 2.578 0 50 FFAA Cc1ccc2cc(CN(C)Cc3nnc(C)o3)c(N3CCOCC3)nc2c1 216546144 GNXOTPWFIZHXAQ-UHFFFAOYSA-N 367.453 2.703 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cccc4ccnn34)CC2)OC1=O 77469949 FCOPPAXQRQSHDF-HNNXBMFYSA-N 370.453 2.950 0 50 FFAA COCCCNC(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71749780 WJQFXEVYMIUSSK-JOCHJYFZSA-N 366.461 2.686 0 50 FFAA Cc1cc(NCCc2nc3sc(C)c(C)c3c(=O)[nH]2)n2nccc2n1 72420293 UATKRFMXHOIVQW-UHFFFAOYSA-N 354.439 2.607 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)ncn2)cc1F 72441543 FEUNDMRMAAJFBD-UHFFFAOYSA-N 358.421 2.758 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)on1 72133825 LVENCWWDPFWVAB-KRWDZBQOSA-N 373.428 2.586 0 50 FFAA CCCn1cc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)c(C)n1 72129141 WNPCULHWPDDUAJ-HXUWFJFHSA-N 366.509 2.917 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCC(CCN3CCCC3=O)CC2)N(C)C)c1 82083901 BRCZXVJCMZBLBC-OAQYLSRUSA-N 371.525 2.849 0 50 FFAA Cc1c[nH]c(CN2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)c(C)c1=O 91808464 HKJKAHLYPQQHDU-ZDUSSCGKSA-N 359.857 2.882 0 50 FFAA O=C(NC1CCN(Cc2ccccn2)CC1)c1c[nH]nc1-c1ccccc1 91426109 FZAGCODFPIKHJP-UHFFFAOYSA-N 361.449 2.866 0 50 FFAA CS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 95525858 MBUDJXXVYXADSO-NSHDSACASA-N 364.389 2.994 0 50 FFAA COc1cc(C)ccc1OCCN1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1 95384618 PBVGQVOGRFNHNM-DLBZAZTESA-N 363.502 2.610 0 50 FFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)CCc2n[nH]c(C)c2C)C1 97360107 FIKAPYRJEANCBG-SFHVURJKSA-N 354.498 2.906 0 50 FFAA COc1cccc(N2CCN(CCCOc3ccc(F)cc3)CC2=O)c1 91548508 PEJWXZDYEYIDJF-UHFFFAOYSA-N 358.413 2.952 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccccc2C)CC1 91635555 UQYNWYIXLPISGJ-UHFFFAOYSA-N 365.485 2.626 0 50 FFAA Cc1c(CN2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)cnn1C 91645525 CTIDKZDWXGJEMF-NRFANRHFSA-N 367.497 2.528 0 50 FFAA COc1cccc([C@@H]2CCN2C(=O)CCc2nc3ccccc3[nH]c2=O)c1 91713868 UIUZTAVUJUBYSX-IBGZPJMESA-N 363.417 2.838 0 50 FFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1cnc(N3CCCC3)s1)C2 95370882 LZTIEKNDTUSPPR-YLJYHZDGSA-N 371.506 2.714 0 50 FFAA Cc1ccc(-c2csc(NC(=O)CN3CCN4CCC[C@H]4C3)n2)cc1 245226214 KTZOZQYLYCRQDC-INIZCTEOSA-N 356.495 2.837 0 50 FFAA COc1ccc([C@H](NC(=O)CC2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 243914772 BKNPHRKSYCXAPO-JQVVWYNYSA-N 366.461 2.824 0 50 FFAA COCc1nc(NCc2cn3c(C)c(C)sc3n2)cc([C@H]2C[C@H](N)C2)n1 244724114 MNWNPDYJYMJYTQ-JOCQHMNTSA-N 372.498 2.766 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)CN1Cc1ccccc1 32520362 SCIHOPRMADXNJV-PXNSSMCTSA-N 373.447 2.834 0 50 FFAA COCC(=O)Nc1cccc(NC(=O)NCCCc2ccccn2)c1C 299786448 LRCZLLHXPMHEDM-UHFFFAOYSA-N 356.426 2.729 0 50 FFAA C[C@H](NC(=O)CN(C)Cc1ccc(F)cc1)c1nncn1C1CCCC1 299792688 FOWZGDRLUJMZNS-AWEZNQCLSA-N 359.449 2.842 0 50 FFAA Fc1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc(F)c1F 299780144 AGGVSAWVNKRZFA-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA Cc1cc(NC(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)n(C2CCCCC2)n1 299783233 YXJLZSZAWODIJZ-GOSISDBHSA-N 361.446 2.755 0 50 FFAA COc1ccc(CCN(Cc2ccncc2)C(=O)c2ccnn2C)cc1 824664734 DSKJAPVNJPUERL-UHFFFAOYSA-N 350.422 2.709 0 50 FFAA CCNc1ccc(-c2ccc(C(=O)N3Cc4cnc(CC)nc4C3)cc2)nn1 584889882 JJEXCYUKFNSWGX-UHFFFAOYSA-N 374.448 3.084 0 50 FFAA CSc1ncc(CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1C 584894121 WANJEKOGTTWVLS-MRXNPFEDSA-N 373.526 2.558 0 50 FFAA Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)nc2c1CCCC2 185727275 ODEYDWZDKTVWHL-UHFFFAOYSA-N 372.372 2.878 0 50 FFAA Cc1c([C@H](C)N[C@H]2CCN(c3cc(O)nc(O)n3)C2)oc2ccccc12 1875399987 ODVPFTNQWNOISC-STQMWFEESA-N 354.410 2.872 0 50 FFAA COC(=O)c1cc2c(=N[C@H]3CCCc4cc(OC)ccc4C3)nc[nH]c2[nH]1 1875336610 IBCKGBCJWJBYSJ-AWEZNQCLSA-N 366.421 2.535 0 50 FFAA COc1cccc([C@H](C)C(=O)N[C@@]2(C)CCN(C(=O)[C@@H]3CC34CC4)C2)c1 1875407368 XVLMPSYARPJZFF-VHFSOBRXSA-N 356.466 2.706 0 50 FFAA Cc1noc(C)c1CCC(=O)NCC1CCN(C(=O)c2ccoc2C)CC1 952963439 IJLAHKPHTBDETM-UHFFFAOYSA-N 373.453 2.794 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Cn2nnc3cc(Cl)ccc3c2=O)C1 886035488 ZLLUTVPNCHYVRE-CYBMUJFWSA-N 368.824 2.607 0 50 FFAA Cn1cnc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 278424145 UFOSPOITHOATLE-UHFFFAOYSA-N 353.344 2.875 0 50 FFAA CC[C@H]1CCCCN1CC(=O)Nc1ccccc1S(=O)(=O)C(F)F 170620545 LLQOTXOBMGFFMF-LBPRGKRZSA-N 360.426 2.886 0 50 FFAA Cc1nnc(S)n1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 170644584 QJLDZYGTAQZLHG-QWHCGFSZSA-N 370.400 2.814 0 50 FFAA O=C(C[C@@H]1OCCc2ccccc21)N1CCCN(c2nccs2)CC1 172204481 LINSXFRBDJMKCS-KRWDZBQOSA-N 357.479 2.886 0 50 FFAA CCc1c(C(=O)NC[C@H]2CCCCN2C2CC2)cnn1-c1ccccn1 225496042 SVZRBVGRVLHYFV-MRXNPFEDSA-N 353.470 2.576 0 50 FFAA C[C@@H]1CN(c2ccccc2F)CCN1Cc1nc2ccccc2c(=O)n1C 191626100 TZPQWMYKBXEHCX-OAHLLOKOSA-N 366.440 2.783 0 50 FFAA COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)C1 772931102 SEPOANLTLXHUOE-HOTGVXAUSA-N 370.453 2.777 0 50 FFAA CC1(C)NC(=O)N(c2cccc(NC(=O)c3ccc(Cl)nc3)c2)C1=O 788870236 VOFMNKLDGFJNEU-UHFFFAOYSA-N 358.785 2.822 0 50 FFAA O=C(c1n[nH]c2c1COCC2)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506420656 ACEWJWMMLVHVDI-UHFFFAOYSA-N 369.400 2.518 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)Cc2cc(-c3ccncc3)no2)c1C 1529104793 TYPSQJNRVQYMQZ-UHFFFAOYSA-N 368.441 2.640 0 50 FFAA CCc1ccccc1NC(=O)CCNc1cncc(C(=O)N2CCCC2)n1 1529189347 MZTRLUWAIBOTES-UHFFFAOYSA-N 367.453 2.716 0 50 FFAA Cc1ccc(CNc2cccc(C(=O)N3C[C@@H]4CNC(=O)C[C@@H]4C3)c2)cc1 1775981860 XJPXJWBYWDNFRY-MOPGFXCFSA-N 363.461 2.815 0 50 FFAA N[C@H]1CCC[C@@H](CN2CCCN(C(=O)Cc3cccc(Cl)c3)CC2)C1 1772703741 ZPDFKIQQVYHCOZ-MJGOQNOKSA-N 363.933 2.934 0 50 FFAA COCCN1CC[C@@H](CNCc2c[nH]nc2-c2cc3ccccc3o2)C1 11936535 XHVCFEJSKVVIEX-HNNXBMFYSA-N 354.454 2.881 0 50 FFAA COc1ccc(CN(C)Cc2nnc(SC)n2C[C@@H]2CCCO2)cc1 12133987 DMHIWFKCYDEBHX-INIZCTEOSA-N 362.499 2.820 0 50 FFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCC2=CCCCC2)c1=O 12332532 HPPREYXSAPFGCQ-UHFFFAOYSA-N 373.497 2.874 0 50 FFAA Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)o1 12439500 HHLNZZIQXJQNQE-HNNXBMFYSA-N 356.422 2.959 0 50 FFAA O=C(CC1c2ccccc2CCc2ccccc21)NC[C@@H]1COCCO1 12456338 IWHKBXXQFLCDBX-GOSISDBHSA-N 351.446 2.839 0 50 FFAA CC(C)N1C(=O)N(C)C2(CCN(Cc3cn(C)c4ccccc34)CC2)C1=O 14751387 DTPHCDIUTZLVGK-UHFFFAOYSA-N 368.481 2.815 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1 15069400 QCRRRNIVYVGNGZ-IBGZPJMESA-N 368.408 2.602 0 50 FFAA Cc1n[nH]c(O)c1[C@H](c1ccc(Br)o1)c1c(O)n[nH]c1C 19907796 PBTFAEVVICJRIB-UHFFFAOYSA-N 353.176 2.697 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCN(c2nsc3ccccc23)CC1 1857677312 VUMGJHIFCUWCFS-UHFFFAOYSA-N 368.462 2.971 0 50 FFAA O=C1C[C@H]2[C@H](CCN2C(=O)c2cccc(Cl)c2)N1CCc1ccccn1 1857690795 LRKBAINXTQCYQN-ROUUACIJSA-N 369.852 2.793 0 50 FFAA O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857725576 DEVSDOZSMRAJBM-ZQIUZPCESA-N 369.292 2.904 0 50 FFAA Cc1noc(C)c1CNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857732339 MKJNXHOTDIFWRF-GFCCVEGCSA-N 370.434 2.570 0 50 FFAA COc1cccc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2=O)c1 211957775 JMCPRJUHJQWPAS-UXHICEINSA-N 364.445 2.670 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 113304696 XMXKFYBRAAEKQB-LJQANCHMSA-N 358.463 2.528 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 237647000 ZNLLCRZDUJTZRC-GOSISDBHSA-N 362.426 2.739 0 50 FFAA Cc1c[nH][nH]c1=NC(=O)Nc1cccc(N2C(=O)CC3(CCCC3)C2=O)c1 1875257656 LFDMHQOUSGWILP-UHFFFAOYSA-N 367.409 2.608 0 50 FFAA CN(C[C@@]1(C)CCCO1)C(=O)[C@H]1CCCN1c1ncnc2sccc12 2325790050 JBCMSQMIXOQVID-RDTXWAMCSA-N 360.483 2.688 0 50 FFAA O=C(NCc1cnc(Br)cn1)c1ccc2c(c1)CCCCN2 2325890787 IHSUIKQVBQXQSC-UHFFFAOYSA-N 361.243 2.917 0 50 FFAA Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 537958 GNYYVWOTRVNKCO-UHFFFAOYSA-N 374.203 2.674 0 50 FFAA in-vivo CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC1=O 1072513 LFWDBBNGSYCHAV-AWEZNQCLSA-N 368.389 2.775 0 50 FFAA CCCN1CCC[C@]2(CCCN2C(=O)c2nc3ccccn3c2C)C1=O 2356148170 KHPCNTXEXQABJU-FQEVSTJZSA-N 354.454 2.650 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CCC[C@@H](NC(C)=O)C3)ncnc21 2356151603 PNDLVVGPUPBGID-MRXNPFEDSA-N 372.517 2.930 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2S(=O)(=O)c2ccccc2Cl)C1=O 2356165062 RIXISZDHNCJQJR-KRWDZBQOSA-N 370.902 2.894 0 50 FFAA O=C(Cc1ccccc1)NCC(=O)N1CCC(Cc2ccccc2)CC1 6703682 QIBKRUHMPAVRIW-UHFFFAOYSA-N 350.462 2.827 0 50 FFAA O=C(CC1=CSC2=NCCCN12)NC[C@@H]1CCOc2ccccc2C1 102646206 CSESLWNWPJZMGQ-CQSZACIVSA-N 357.479 2.784 0 50 FFAA CC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cccc(F)c3)cc12 8608578 JPKGVTJQGZFVBX-UHFFFAOYSA-N 370.336 2.951 0 50 FFAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@H]2C=C[C@H]1C2 101276059 CDSWKSKNKCKUKH-USJZOSNVSA-N 374.868 2.507 0 50 FFAA O=C1NC[C@H](c2ccc(F)cc2)Cc2[nH]c(-c3cc(C4CC4)[nH]n3)nc21 67433178 NOZRFGBLSXGXKS-GFCCVEGCSA-N 351.385 2.886 0 50 FFAA C[C@@H]1Cc2cc(C(=O)N3CCc4ccccc4C3)ccc2N1S(C)(=O)=O 10324524 QHGNEFUCGISEIY-CQSZACIVSA-N 370.474 2.596 0 50 FFAA CC(=O)Oc1c(C)cc(CNCc2nc3ccccc3c(=O)[nH]2)cc1C 65535990 UUEPFFVJSFKMRJ-UHFFFAOYSA-N 351.406 2.755 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCCN1C 1506406877 HBQDSYPPLUYUCD-CYBMUJFWSA-N 360.907 2.810 0 50 FFAA CCCOc1cc(OC)ccc1C(=O)NCc1ccc(-c2nnn[nH]2)cc1 252488837 JAEVHRXXIZVYKN-UHFFFAOYSA-N 367.409 2.594 0 50 FFAA C[C@H]1CN(c2ccccc2NC(=O)N[C@H]2CCc3c[nH]nc3C2)C[C@@H](C)O1 332921635 CISLPQGUPBMBLO-LZWOXQAQSA-N 369.469 2.702 0 50 FFAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc(OC)cc2c1O[C@@H](C)C2 328652649 WOKJGOFIBPFYTC-IXDGSTSKSA-N 357.454 2.855 0 50 FFAA Cc1ccc(C2(O)CCN(C(=O)c3ccc4cccnc4c3O)CC2)nc1 67769827 GENODKCVSISJEQ-UHFFFAOYSA-N 363.417 2.768 0 50 FFAA Cc1cc(C(=O)N2CCCN3c4ccccc4C[C@H]3C2)ncc1C(=N)O 333135789 XUEIEDCKYLUNOU-HNNXBMFYSA-N 350.422 2.551 0 50 FFAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCc1ccc(F)c(F)c1 67886296 RNPPXTFFRMPMPU-OAQYLSRUSA-N 374.431 2.651 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 329959207 QLXHCQUHCLPIAN-MGPUTAFESA-N 368.433 2.988 0 50 FFAA Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)c2c(C)noc2n1 77423306 SBBFWXQNXCNSSW-KRWDZBQOSA-N 364.449 2.968 0 50 FFAA O=C([C@@H]1CC2(CCNCC2)CN1)N1CCC(CCCc2ccccc2)CC1 72156049 KUUONBOOOVKTSP-NRFANRHFSA-N 369.553 2.980 0 50 FFAA Cc1cc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)ccc1-n1cncn1 173861498 GTKJEUGAGQTUQQ-GOSISDBHSA-N 353.470 2.666 0 50 FFAA CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1c(C)cccc1Cl 77556382 KLUOZZSKLJBWIU-AWEZNQCLSA-N 358.891 2.718 0 50 FFAA Cc1ccc([C@@H]2CCN(C(=O)[C@](C)(O)Cn3c(C)cccc3=O)C2)c(C)c1 332349552 YYTCORHWUDOHFG-XMSQKQJNSA-N 368.477 2.541 0 50 FFAA Cn1c(=O)sc2cc(CN3CC[C@@]4(C3)C(=O)Nc3ccccc34)ccc21 369128160 RAXUUEFZEKTNEQ-FQEVSTJZSA-N 365.458 2.696 0 50 FFAA COCCNc1nc2cc(C(=O)N(C)Cc3ccc(C)o3)ccc2n1C 215259914 TVEUWZBLQSHESO-UHFFFAOYSA-N 356.426 2.805 0 50 FFAA CC(=O)N1CCc2cc(C(=O)N3CC[C@H](O)c4ccccc4C3)ccc21 374818698 LMIOWNBXYFHASA-FQEVSTJZSA-N 350.418 2.675 0 50 FFAA O=C(NCC[C@@H]1CCNC1)c1cccc(OCc2cn3ccccc3n2)c1 262594615 UAAMEOJTNDFFPX-INIZCTEOSA-N 364.449 2.643 0 50 FFAA O=C(Nc1cc(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)ccn1)C1CC1 376142184 PLTSRFUTSOUDPS-QGZVFWFLSA-N 369.396 2.863 0 50 FFAA CCN1CCC(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CC1 219099517 OUOHKRCVSSNPMJ-XTXLOEGASA-N 367.493 2.895 0 50 FFAA COc1ccc(CN2CCCN(c3ccccc3)CC2)cc1OCC(=O)O 216138572 NKSYKSNARSFPDL-UHFFFAOYSA-N 370.449 2.871 0 50 FFAA CC[C@H](NS(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 72117866 HFMOMIWGIPOOFH-INIZCTEOSA-N 353.465 2.520 0 50 FFAA CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@H]1CC=CCC1)C2 71479684 BARXTVSWISKXBQ-HNNXBMFYSA-N 363.465 2.846 0 50 FFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2n1C1CCCC1 133896715 PVNPOYRRSFWSRK-CYBMUJFWSA-N 361.467 2.915 0 50 FFAA CCc1nnc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1C 246801685 SSRJBXCTEHKSOI-KBPBESRZSA-N 354.376 2.704 0 50 FFAA C[C@H](C(=O)NCc1ccc(C(=O)N(C)C)cc1)n1cnc2ccccc21 46674251 PPVMNNYCTJAIIJ-CQSZACIVSA-N 350.422 2.616 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1cccc(-n2cncn2)c1 426361241 UFMDOQUKZZEPFN-UHFFFAOYSA-N 367.413 2.972 0 50 FFAA Cc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC2CC2)CC1 82147436 AJVCAUPSCNZBLL-UHFFFAOYSA-N 364.453 2.664 0 50 FFAA Cc1cccc(CNC(=O)N2CCCC[C@H]2CCN2CCN(C)CC2)c1 426656813 BCQLYUKSCYFZIV-FQEVSTJZSA-N 358.530 2.697 0 50 FFAA C[C@@H](NC(=O)N1CCCN(C)C2(CCNCC2)C1)c1ccccc1Cl 426412145 DOGWLSIFIMRJCF-OAHLLOKOSA-N 364.921 2.870 0 50 FFAA OCCn1ccc([C@H]2CCCN(Cc3cc(-c4ccccc4)no3)C2)n1 426562842 GSKZLBXRLUGPBX-KRWDZBQOSA-N 352.438 2.910 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CCC3)C2)c(=O)[nH]1 95528567 NDXQRDLPMVIWMG-MRXNPFEDSA-N 354.454 2.700 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 267506732 YRZAHKTZIGSZFC-HKUYNNGSSA-N 359.514 2.566 0 50 FFAA O=C([C@@H](O)c1ccccc1)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91657246 XFNNAXVXFMCWFD-FQEVSTJZSA-N 370.493 2.894 0 50 FFAA CN(C)[C@H](CNC(=O)c1cnc(-c2cccnc2)nc1)c1cccs1 95364253 NEKJJWAICNAIJM-OAHLLOKOSA-N 353.451 2.633 0 50 FFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)CC1(CO)CCOCC1 91914547 WGEOCIBTDQBVDQ-MRXNPFEDSA-N 357.450 2.855 0 50 FFAA CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(C(=O)O)cc2)CC1 97155774 GNZCEHLAXWGXLZ-UHFFFAOYSA-N 362.861 2.656 0 50 FFAA COC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 95528660 BJJLFYZOVLUZTM-LJQANCHMSA-N 373.497 2.589 0 50 FFAA O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cnn(CCC(F)(F)F)c1 181633714 FNRFKSPBJIWODB-ZDUSSCGKSA-N 366.343 2.691 0 50 FFAA O=C(Cc1cn2ccsc2n1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 95361182 RSRUDZMEHQYHEN-INIZCTEOSA-N 355.463 2.522 0 50 FFAA O=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 91713253 BASNIBHGHWYZCZ-SFHVURJKSA-N 372.513 2.598 0 50 FFAA CN1CCN(c2ccc(NC(=O)N[C@H](c3nccn3C)C3CC3)cc2)C1=O 95499366 FVJIADMIOWLPKA-INIZCTEOSA-N 368.441 2.565 0 50 FFAA CNC[C@H]1CCCN(C(=O)CCOc2ccc(Br)cc2F)C1 299739474 OVZZVNDYSYWHQY-GFCCVEGCSA-N 373.266 2.815 0 50 FFAA Cc1nn(C)cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 64166371 GDGBDSMCJLQHNU-UHFFFAOYSA-N 350.422 2.891 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)CCc1nc2ccccc2[nH]1 299758461 NHTBJAKKFSACSI-UHFFFAOYSA-N 365.359 2.836 0 50 FFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)N(C)C[C@H]2CCCCO2)c1 299799741 ZRVXTODIRGJFJF-CYBMUJFWSA-N 369.849 2.958 0 50 FFAA C[C@H](c1ccccc1)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(N)=O)C1 1875297198 GKBSCGHPAFZRAV-LSTHTHJFSA-N 365.477 2.918 0 50 FFAA O=C(NCc1nc(C2CC2)no1)N1CC[C@H](Oc2cc(F)cc(F)c2)C1 1875271929 WMSYUANEBRQUCM-ZDUSSCGKSA-N 364.352 2.588 0 50 FFAA Oc1cc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(Cl)nn1 1875269043 RHBAMUIFRRNOJF-UHFFFAOYSA-N 363.801 2.725 0 50 FFAA COC(=O)C1CC2(CCCN2C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 1875301200 DICWEBQYILWJPK-UHFFFAOYSA-N 369.421 2.643 0 50 FFAA Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1)C(=O)NCCO3)[C@@H](C)C2 1875331109 PVMBHZHIHAVCAZ-ORAYPTAESA-N 350.418 2.781 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)cc1 1875374018 XOUAXIXYEKLPPZ-OAQYLSRUSA-N 368.408 2.708 0 50 FFAA COc1ccc(C2=NN(C(=O)[C@@H]3C[C@H]3C(=O)O)[C@@H](c3ccco3)C2)cc1 1875388468 CBCXGGWRAKQZPC-IIAWOOMASA-N 354.362 2.687 0 50 FFAA Cc1nc(C(=O)O[C@H]2CCCC(=O)N(C)C2)nn1-c1ccccc1C(C)C 1875307847 NDKLRYPSQHXMLH-HNNXBMFYSA-N 370.453 2.867 0 50 FFAA Cc1ccc(-c2cc(C(=O)N3CCC(O)(CN4CCCC4)CC3)n[nH]2)s1 952983190 OPMBEHRGEMZKRX-UHFFFAOYSA-N 374.510 2.510 0 50 FFAA Cc1cccc([C@H]2CCCN2C(=O)CCn2cnc3sccc3c2=O)n1 167472995 PRRVAZPQIHAYEK-MRXNPFEDSA-N 368.462 2.915 0 50 FFAA CNC(=O)c1ccn([C@@H]2CCCN([C@@H](C)c3nc4ccccc4o3)C2)n1 276043034 SHNLLCYNLZYTHA-UONOGXRCSA-N 353.426 2.782 0 50 FFAA O=C(NCC1(O)CCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 169992616 VKBZVUMRDYKKQZ-UHFFFAOYSA-N 372.490 2.897 0 50 FFAA COC(=O)C[C@@](C)(NC(=O)Cn1ncc2ccccc21)c1ccc(F)cc1 170608898 NNAICVMYFNTEBA-HXUWFJFHSA-N 369.396 2.770 0 50 FFAA Cc1nc(-c2cccc(C(=O)NCC3CCC4(CC3)OCCO4)c2)no1 170650270 HMMVHYJVTSLJRY-UHFFFAOYSA-N 357.410 2.708 0 50 FFAA C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 408023105 PJIGCOSHYWWPDD-IAQYHMDHSA-N 369.433 2.625 0 50 FFAA CCOc1cc(NC(=O)N2CCC(Cn3cncn3)CC2)ccc1OC 188613960 SOKUFYOPBYIPTQ-UHFFFAOYSA-N 359.430 2.630 0 50 FFAA O=C1O[C@@H](C(=O)Nc2ccc(Br)c(O)c2)Cc2ccccc21 225579425 AENBAZYETWOIIN-CQSZACIVSA-N 362.179 2.875 0 50 FFAA O=C1Nc2ccccc2CC[C@H]1N1CCN(C(=O)c2ccc(F)cc2)CC1 191868474 GMLWANMBKJDHSC-LJQANCHMSA-N 367.424 2.537 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1 1506425742 MXHVGKUWFNFFJH-LJQANCHMSA-N 366.527 2.544 0 50 FFAA COCCN1CCC(CN(C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 1506428783 QROCSHGERWPHEM-OAHLLOKOSA-N 351.466 2.887 0 50 FFAA Cc1ccc(C)c([C@H](C)NC(=O)CN2CCC(O)(c3cccnc3)CC2)c1 1506412156 MSGCOAHJZIBGHP-SFHVURJKSA-N 367.493 2.859 0 50 FFAA CC(=O)c1cc(CN2CCCN(C(=O)Cc3ccsc3)CC2)n(C)c1 1529110838 QWYDDZULJUNITO-UHFFFAOYSA-N 359.495 2.566 0 50 FFAA Cc1nn(C)cc1C(=O)N1CCCN(CC2CCC(F)(F)CC2)CC1 1529192166 PVRJTWDDJQPLLK-UHFFFAOYSA-N 354.445 2.702 0 50 FFAA CC(C)N1C[C@H](CN2CCN(c3ccc(F)cc3F)CC2)CCC1=O 1775983147 ICPQEIUHJNBWRN-HNNXBMFYSA-N 351.441 2.734 0 50 FFAA CSCCCNC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12597326 RNRSWCJAHSCLEI-HNNXBMFYSA-N 368.930 2.990 0 50 FFAA O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NC[C@H]1CCCO1 12710113 VARBIRVSTFQQTH-OAQYLSRUSA-N 356.510 2.941 0 50 FFAA COCc1noc(-c2ccc(N(C)C[C@@H]3Cc4ccccc4O3)nc2)n1 14972626 DFPXGBMHVCRQJU-HNNXBMFYSA-N 352.394 2.718 0 50 FFAA O=C(Cc1cc2c(cc1Cl)OCCO2)NCc1nc2ncccc2o1 1857672597 HHSICYQMPZZZKL-UHFFFAOYSA-N 359.769 2.506 0 50 FFAA C[C@@]1(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC12CCNCC2 1857703474 RCHWYCBVGWBCAB-QFIPXVFZSA-N 367.537 2.816 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1ccc(F)cc1 1857717471 UXYFHRJYUXWPQO-QEUVDIPISA-N 358.457 2.978 0 50 FFAA Cc1n[nH]cc1-c1nc([C@@H]2C[C@@H]3CC[C@H]2O3)n(-c2cccc(C(=O)O)c2)n1 1857726552 WUELWJPYQSFNHT-SQWLQELKSA-N 365.393 2.699 0 50 FFAA Cc1cc(Cl)ccc1-c1nccn1[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857731002 HGQWLNMLFZRKIW-ULQDDVLXSA-N 361.873 2.909 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)Cc2cccc(C(F)(F)F)c2)CC[C@H]1O 1857735798 BKMWZTXCSNRDHH-WBVHZDCISA-N 359.388 2.620 0 50 FFAA Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@]2(CCCNC2=O)[C@@H]1C 1875248731 KDAFDKOMMAUXLY-BTYIYWSLSA-N 368.481 2.642 0 50 FFAA CCC[C@H]1COC[C@H]2CN(Cc3ccccc3Cn3cccn3)CCN12 1875250535 KEMVCDYFWMGKRK-LEWJYISDSA-N 354.498 2.617 0 50 FFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-n2ccnn2)cc1 328743616 NMBDHNWMWRYSHP-ZNXRZULTSA-N 362.437 2.552 0 50 FFAA Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 246766603 LQHVKURSPRHQTO-OWCLPIDISA-N 369.421 2.659 0 50 FFAA O=C(O)[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC[C@@H]1O 1704340848 NRGKNTVIHZUFHS-HOTGVXAUSA-N 365.857 2.836 0 50 FFAA COCCN1C=C(C(=O)OC)C(c2ccc(Cl)s2)C(C(=O)OC)=C1 2482398 RXOIWVZNDCFWBT-UHFFFAOYSA-N 371.842 2.561 0 50 FFAA CNC(=O)Cc1nc(Cn2c(C(C)C)nc3ccccc32)n(C(C)(C)C)n1 2100540980 RYLYNSLISBNRBF-UHFFFAOYSA-N 368.485 2.843 0 50 FFAA O=C(c1ccc(Br)c(O)n1)N1CCC[C@H]1Cc1ccncc1 2325804639 BDGBIDDGKPNDSW-LBPRGKRZSA-N 362.227 2.792 0 50 FFAA CC(C)CC(=O)N[C@@H](C)C[C@H](C)NC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868254 UOVYHYXIFVRFRN-DUQJVZAFSA-N 351.535 2.695 0 50 FFAA COC(=O)c1cccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 857478 GKIXRTDEAGAITF-MRXNPFEDSA-N 354.406 2.880 0 50 FFAA COc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 857869 YGOQHNAZOWXNNR-UHFFFAOYSA-N 368.842 2.753 0 50 FFAA NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1093314 XGHGWMZJLYUIAB-UHFFFAOYSA-N 373.261 2.670 0 50 FFAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)cn1 1182897 KENIOAMTORNRAP-UHFFFAOYSA-N 350.241 2.900 0 50 FFAA CCc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)cc1 2855815 BCBUEBOBIDFCMF-UHFFFAOYSA-N 368.405 2.932 0 50 FFAA Cc1ccc(N([C@@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1 2884284 CDKUTQSSNOLCBJ-HNNXBMFYSA-N 352.500 2.989 0 50 FFAA O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 4749307 MKTQWEILLANZID-UONOGXRCSA-N 350.846 2.880 0 50 FFAA CCCOc1cc(Cl)c([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 4866583 XIDGYNKKPMTUOQ-OAHLLOKOSA-N 368.817 2.938 0 50 FFAA COc1ccccc1-n1cc(-c2ccnc(N3CC(n4cccn4)C3)n2)cn1 55393468 KMOYTJHZAAYPES-UHFFFAOYSA-N 373.420 2.596 0 50 FFAA O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCN(Cc2cccc(F)c2)CC1 55368781 BLUPBCKLXUIBKY-WOJBJXKFSA-N 359.489 2.734 0 50 FFAA CN(Cc1[nH]nc2c1CCC2)C(=O)CCCc1nc(-c2ccco2)no1 67458237 RXSQVGAVWYNHMP-UHFFFAOYSA-N 355.398 2.523 0 50 FFAA Cc1cc(CNC(=O)c2ccc(Oc3ccccc3)nc2)nc(N(C)C)n1 252503306 VAVYYKSUAPBMRQ-UHFFFAOYSA-N 363.421 2.968 0 50 FFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 67723857 GLSZBDYVMJWWQV-CYBMUJFWSA-N 370.359 2.926 0 50 FFAA Cc1ccc(OCc2cc(C(=O)NCc3nccn3C(C)C)no2)cn1 67727447 JPKWIVOEKQNKAA-UHFFFAOYSA-N 355.398 2.664 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)n(C)n1 65372633 LKWGTRZHNDZHTG-SFHVURJKSA-N 351.454 2.986 0 50 FFAA CC(C)Cn1ncc(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)c1C(C)C 433086044 YPOBLSXILBXSBS-CQSZACIVSA-N 370.519 2.561 0 50 FFAA Cc1cccc(CNC[C@]2(O)CCCN(CCc3ccccc3)C2=O)c1C 67772927 ORETUVWABOSYKJ-HSZRJFAPSA-N 366.505 2.989 0 50 FFAA O=C1[C@@H](C2CCOCC2)N=C(O)N1Cc1ccsc1Br 329336006 XXHNWGWCYKYETF-SNVBAGLBSA-N 359.245 2.562 0 50 FFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1noc(C2CCCC2)n1 215491374 OALIMMKENVMGSV-INIZCTEOSA-N 372.473 2.740 0 50 FFAA O=C(c1cnn2c1CCCC2)N1CCN(c2nc3ccccc3s2)CC1 72432093 UAYIOWHPJXEJQB-UHFFFAOYSA-N 367.478 2.792 0 50 FFAA Cc1nc(NC(=O)[C@H]2CN(C)CCO2)sc1Cc1ccc(F)cc1F 333614881 HKPFECVEROOKQL-CQSZACIVSA-N 367.421 2.590 0 50 FFAA O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1Cc1cccc(N2CCOCC2)c1 333923746 SNMHSFJXDOUMTF-WDSOQIARSA-N 369.465 2.619 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3ccnc(OC)c3)CC2)OC1=O 77436254 DFRUUVDDWAXKEW-AWEZNQCLSA-N 361.442 2.706 0 50 FFAA CCCc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)n(C)n1 72473530 WDBZAQQKLNFWSC-UHFFFAOYSA-N 369.494 2.945 0 50 FFAA CN(C)Cc1nnc(C2CCN(Cc3ccc4ccn(C)c4c3)CC2)n1C 77488002 UHPFWSRPGFXGOJ-UHFFFAOYSA-N 366.513 2.748 0 50 FFAA COCCN1C[C@H](Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC1=O 219247549 KIZMWMYGKOMIOK-QGZVFWFLSA-N 373.474 2.557 0 50 FFAA Cn1nc(CN2CC[C@@](O)(CN3CCCCC3)C2)c2c(Cl)cccc21 77470758 XEIMVOQWOVIQBQ-LJQANCHMSA-N 362.905 2.649 0 50 FFAA O=C1CN(c2ccc(C(=O)N3CCCC[C@@H]3c3ccccn3)cc2)C(=O)N1 72421351 VZOZSOSXJMYOLY-QGZVFWFLSA-N 364.405 2.505 0 50 FFAA CCCc1nc(NCc2cc3c(cc2OC)OCCO3)c2cnn(C)c2n1 72447338 IMQQREOVEWEVGB-UHFFFAOYSA-N 369.425 2.708 0 50 FFAA O=C(NCc1nccn1Cc1ccccc1)c1cn(C2CCCCC2)nn1 72140362 XKUUFXGGTGZQQS-UHFFFAOYSA-N 364.453 2.958 0 50 FFAA COc1ccnc(N2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)n1 215698084 DJQZGEAJFRXBIH-HNNXBMFYSA-N 360.483 2.720 0 50 FFAA COC[C@H]1[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)[C@@H]2CCO[C@@H]21 219051348 DNAGBOQKUTVGOK-LAQRGFTBSA-N 358.463 2.519 0 50 FFAA Cc1nnc(CN(C)Cc2ccc(OCC(=O)N3CCC(C)CC3)cc2)o1 215384769 WXMUNXLAELJEGY-UHFFFAOYSA-N 372.469 2.647 0 50 FFAA Cc1cc(NC(=O)N2CCOC[C@@H]2c2nc(-c3cccs3)no2)no1 289281046 SNVNWHMPBSBGTL-SNVBAGLBSA-N 361.383 2.700 0 50 FFAA CCc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)OC 328596245 YSNDQRIKZYDWFP-UHFFFAOYSA-N 369.487 3.304 0 50 FFAA CSc1cccc(CC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)c1 82115675 BTPVEOHXDVYTIB-OAHLLOKOSA-N 357.479 2.806 0 50 FFAA Cc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2)c(OCCCN)c1 426648204 WBBVPWUWALPSDI-SFHVURJKSA-N 359.514 2.813 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@H](n3cccn3)C2)[C@H]1c1cccc(Cl)c1 291174514 KDJBBGGXJJYXFM-XYJFISCASA-N 372.856 2.530 0 50 FFAA Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2=O)cc1 82133737 CVXKTMGRSMCAPC-UHFFFAOYSA-N 360.417 2.670 0 50 FFAA CN(C)S(=O)(=O)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 426550678 SJRWTNGXBSKBJL-UHFFFAOYSA-N 359.495 2.985 0 50 FFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2nc3ccccc3n2C)c1C 221320976 UHZJWAPIMBZRCK-LBPRGKRZSA-N 367.453 2.857 0 50 FFAA CSc1nc(C(=O)N[C@@H]2CCOC[C@@H]2Oc2ccc(C)nc2)cs1 220558850 HVMNSZJFENRBOJ-OCCSQVGLSA-N 365.480 2.535 0 50 FFAA COc1ccc2nc(NC(=O)C3CCC(Cn4cnnn4)CC3)sc2c1 44891105 WHFSKJXDICDIDF-UHFFFAOYSA-N 372.454 2.737 0 50 FFAA CCn1ccnc1C1CCN(C(=O)c2c[nH]c3ccc(F)cc3c2=O)CC1 95529414 PWJBJNJMMYEFNO-UHFFFAOYSA-N 368.412 2.903 0 50 FFAA O=C(c1nc(O)nc2ccccc12)N1CCC[C@@H](OCc2ccccn2)C1 426477869 HBFJBBKLORZZKK-OAHLLOKOSA-N 364.405 2.552 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1c[nH]nc1C1CCCCC1 91468939 HWRFOANNBSEHTO-UHFFFAOYSA-N 362.503 2.899 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCCn1nc(C)nc1C 95379035 CZUSSOMSXQKINT-INIZCTEOSA-N 354.458 2.575 0 50 FFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCc1ccc(-n3cccn3)cc1)C2 91563063 VERRNUFUBYUVEO-KRWDZBQOSA-N 363.417 2.748 0 50 FFAA Cc1ccc(C2(C(=O)N3C[C@H]4CC[C@@H]3CN(C(=O)N(C)C)C4)CC2)cc1 92081164 POXOJDXBIUZFJO-FUHWJXTLSA-N 355.482 2.631 0 50 FFAA Cc1ccc2nc(C(=O)NC[C@H]3CCCN(Cc4ccco4)C3)cn2c1 91745280 OKMUJKDFFOGVHY-MRXNPFEDSA-N 352.438 2.878 0 50 FFAA O=C(CCNC(=O)c1cc(-c2ccccc2O)n[nH]1)Nc1ccccc1 96140502 LAKJAHRESDUIKK-UHFFFAOYSA-N 350.378 2.541 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)COc1ccccc1Cl)CC2 95364734 WHSNUMOBXRLYEM-INIZCTEOSA-N 353.846 2.905 0 50 FFAA O=C([C@H]1COc2ccccc2C1)N1CCC(Cc2noc(C3CC3)n2)CC1 91476824 DIHOLWJUAABBGC-QGZVFWFLSA-N 367.449 2.979 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc1C(=O)O 95368077 JNJHTSUEMZZMGR-DLBZAZTESA-N 372.465 2.616 0 50 FFAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1c(OC)ccc3ccccc13)C2 91893150 KFBCSXHVLGIHAI-ZWKOTPCHSA-N 368.477 2.918 0 50 FFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 95390581 DPBQCKXZCXQADA-INIZCTEOSA-N 373.416 2.669 0 50 FFAA COc1cccc2c1OC[C@]1(C(=O)O)CN(Cc3cccc(F)c3)C[C@H]21 95525753 UTXPDZFPPUZUBK-OXQOHEQNSA-N 357.381 2.897 0 50 FFAA C[C@H]1C[C@H](S(=O)(=O)NCc2nc(-c3ccccc3F)cs2)CCO1 296404938 UXVDZGOTBBCSPY-NWDGAFQWSA-N 370.471 2.936 0 50 FFAA O=C(NCc1noc([C@@H]2CCCO2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 244659400 HBVZHSYOWONYEH-AWEZNQCLSA-N 373.800 2.895 0 50 FFAA O=C(CCOc1ccccc1F)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299742690 IKMZDDGQHQOZPX-HNNXBMFYSA-N 358.417 2.755 0 50 FFAA O=C(NCCn1cccn1)c1cc(-c2ccc(Br)s2)n[nH]1 253398220 BZWGYAPIOPIXMZ-UHFFFAOYSA-N 366.244 2.527 0 50 FFAA O=C(CCN1CC[C@]2(CC(=O)c3ccccc3O2)C1)Nc1nccs1 252483734 FHLWXIIUWQVPQI-SFHVURJKSA-N 357.435 2.582 0 50 FFAA COC(=O)c1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)c(O)c1 534656779 BSABYBRSWSKWFY-MRXNPFEDSA-N 355.390 2.755 0 50 FFAA Fc1cc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c(F)c1 299786299 JHVOHJPBXARMRB-UHFFFAOYSA-N 374.370 2.718 0 50 FFAA Cn1ccn2ncc(C(=O)N3CCC[C@@H](COc4ccc(F)cc4)C3)c12 299756525 DIDLGSFUEXOCKJ-CQSZACIVSA-N 356.401 2.743 0 50 FFAA CC(C)(C)OC(=O)N1CCC(COC(=O)N2CCC(F)(CO)CC2)CC1 575447858 RAYAQVWUFOCJOI-UHFFFAOYSA-N 374.453 2.567 0 50 FFAA COCCc1nc(-c2ccc(N3CCN(C)CC3)cc2)n(C(C)(C)C)n1 670458905 NRBIETPTMFGVFG-UHFFFAOYSA-N 357.502 2.641 0 50 FFAA CC(=O)NC[C@@H]1CCCN(c2cc(C)nc(N(C)c3ccccc3)n2)C1 1875273355 RLYIKAWGTWYLIR-KRWDZBQOSA-N 353.470 2.905 0 50 FFAA CC(=O)NCc1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 1875291392 XMVFAOSDQGBIFC-KRWDZBQOSA-N 354.406 2.595 0 50 FFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(Cc2ccsc2)C1 1875268350 KSHNSSWOTRTIFU-KRWDZBQOSA-N 358.463 2.716 0 50 FFAA CN(C)[C@H](CCC(=O)NCc1ccc2c(c1)C(=O)NC2)c1ccccc1 1875318028 AXWWHGYMRPTIFF-LJQANCHMSA-N 351.450 2.629 0 50 FFAA Cc1c(C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)cnn1CCC(C)C 1875393160 HZLFUXPNGICOKY-IQGLISFBSA-N 366.531 2.762 0 50 FFAA O=C(N[C@H](CO)Cc1cccc(F)c1)c1c[nH]nc1-c1ccccc1F 1875348823 DFMPOMMDFMMQGX-AWEZNQCLSA-N 357.360 2.688 0 50 FFAA COC[C@H]1CCCN1S(=O)(=O)N(C)CCC12CC3CC(CC(C3)C1)C2 952976951 NRCLGYXVYUWPSE-GSBYPIHSSA-N 370.559 2.880 0 50 FFAA COc1cccc2c1OC[C@@H](NCc1cc3ccccc3n(C)c1=O)C2 952974939 XIOHZKHNGWXRLT-KRWDZBQOSA-N 350.418 2.640 0 50 FFAA O=C(N[C@H]1CCC[C@H](OC(F)F)C1)c1cccc(N2CCOC2=O)c1 888092698 GIHODJVOIDBKTE-JSGCOSHPSA-N 354.353 2.923 0 50 FFAA CCc1nc(N[C@H]2CCN(C)C[C@H]2Cc2ccccc2)c2cnn(C)c2n1 1565527151 RBDHRAHJCUKXSD-AEFFLSMTSA-N 364.497 2.901 0 50 FFAA CC(=O)[C@@H]1CC(C(=O)O[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=NN1c1ccccc1 170645916 UTGFSMOAVNAKNE-XGXHKWSGSA-N 370.449 2.957 0 50 FFAA CC(=O)Nc1ccc(C)c(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 188608448 YGALBDTZYVXZBY-ZDUSSCGKSA-N 357.376 2.567 0 50 FFAA Cn1c(=O)ccc2ccc(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)cc21 785675836 JLVSWVPAXCUGDI-SFHVURJKSA-N 365.364 2.809 0 50 FFAA C[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2N(C)C1=O 1506418815 JMXPTLMAPXHUHB-NSHDSACASA-N 350.378 2.569 0 50 FFAA O=C(c1cccc(N2CCNC2=O)c1)N1CCOc2ccc(Cl)cc2C1 1506403780 ZCGKKOMQAWJZCZ-UHFFFAOYSA-N 371.824 2.904 0 50 FFAA CC(C)[C@H]1CN(C2CCN(C(=O)c3cccs3)CC2)C[C@@H]1C(=O)O 1616106640 ZRSJZAGXMXSBJN-CABCVRRESA-N 350.484 2.641 0 50 FFAA COc1ccccc1CNC(=O)CSc1cc(=O)n(C)c2ccccc12 5007640 HAMSVLJALGMJLQ-UHFFFAOYSA-N 368.458 2.956 0 50 FFAA COC(=O)CCCNC(=O)c1cc(COc2ccc(F)cc2Cl)on1 11878968 KHKJUQZDWFZPTD-UHFFFAOYSA-N 370.764 2.729 0 50 FFAA O=C1CCCN1CCC1CCN(c2nncc(-c3cccc(F)c3)n2)CC1 12075740 HUBUDXQKQNMOCZ-UHFFFAOYSA-N 369.444 2.907 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3cc(O)c4ccccc4n3)C2)C1 12201058 FSNUJYCCBUYNMG-OAQYLSRUSA-N 355.482 2.875 0 50 FFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1ccsc1 12710573 MGOROFFUJDDCBE-UHFFFAOYSA-N 363.571 2.945 0 50 FFAA CC1(C)Cc2cc(CNC[C@@]3(O)CCCN(CC4CCC4)C3=O)ccc2O1 12714107 CGEYRHYGFZYPFZ-QFIPXVFZSA-N 372.509 2.643 0 50 FFAA CSc1cccc(CNCc2cccnc2N2CCN(C(C)=O)CC2)c1 19147239 PPEBCENZKHVDSG-UHFFFAOYSA-N 370.522 2.762 0 50 FFAA CC(C)=CCN1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO 19300907 DOWJSGSOMJYOCJ-FQEVSTJZSA-N 354.498 2.912 0 50 FFAA CCOc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC 19907775 RAZBYYHRWQSSKA-UHFFFAOYSA-N 358.398 2.748 0 50 FFAA COc1cccc(-n2cc(CN(C)[C@H]3CCOC4(CCNCC4)C3)cn2)c1 1857669900 BLKHAONFYUSXDC-IBGZPJMESA-N 370.497 2.614 0 50 FFAA Cc1cnnc(N2CCC[C@@]3(CCc4c(O)nc(C5CC5)nc43)C2)c1C 1857698858 LQSDEJFEPGTKBX-HXUWFJFHSA-N 351.454 2.951 0 50 FFAA CCc1c(C(=O)N[C@@H]2C[C@H]3CO[C@H](C(C)C)CN3C2)[nH]c2ccccc12 1857725580 DFUQTALDSKMMAM-VCBZYWHSSA-N 355.482 2.958 0 50 FFAA CCCOc1ccc(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)cc1 1857728282 VGYONXULYLNYTC-UEXGIBASSA-N 372.465 2.673 0 50 FFAA Cc1ccc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c2cccnc12 408133173 MZRWPRHOABMXBW-HZPDHXFCSA-N 362.495 2.961 0 50 FFAA C[C@H]1C[C@@H](CO)CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 331968957 RLYPZUGIDVROPM-WDEREUQCSA-N 369.252 2.665 0 50 FFAA CCc1nccn1CC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 253606257 BRQDGHFWRPMEJO-MOPGFXCFSA-N 352.482 2.569 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N(C)Cc2nccs2)c(C)c1CC(=O)O 388921148 VFPKBRMAWNOBBZ-UHFFFAOYSA-N 368.480 2.516 0 50 FFAA COc1nc(C(=O)Nc2cnn(C3CCNCC3)c2)cc2ccccc12 2325795201 OUMHMUXYSYWSDC-UHFFFAOYSA-N 351.410 2.617 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC(=O)Nc4ncccc43)cc2)c1C 2325840854 UEJINBNTVTUBDA-QGZVFWFLSA-N 361.405 2.949 0 50 FFAA Fc1cccc(N2CCC[C@H](Oc3nccc(N4CCOCC4)n3)C2)c1 2325900076 JZUQPSCOLDTLCW-KRWDZBQOSA-N 358.417 2.500 0 50 FFAA CNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 907929 JXFKJCRHSQMAHD-AWEZNQCLSA-N 372.446 2.765 0 50 FFAA COc1ccc(-c2cc3ccc(OCC(=O)O)cc3oc2=O)cc1OC 1237887 CUBJYGSQJQQUNX-UHFFFAOYSA-N 356.330 2.941 0 50 FFAA biogenic Cc1nc2ccc(C(=O)N3CCc4nc(-c5ccccc5)nn4CC3)cc2[nH]1 2356148697 NUSGCMLYWAQUKI-UHFFFAOYSA-N 372.432 2.828 0 50 FFAA O[C@H]1CCN(c2nccn3c(-c4ccc(OC(F)(F)F)cc4)cnc23)C1 2356153223 XKUFXNQRMDXBSU-LBPRGKRZSA-N 364.327 2.866 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cc[nH]n3)C2)c2cccc(=O)n21 2356155834 OLQOBPDMPSDMIT-VKJFTORMSA-N 354.454 2.808 0 50 FFAA Cc1ccc(-c2ccnc(N3CCc4nc(C5CC5)nn4CC3)n2)c(C)n1 2356164908 LOTTUPAYKVGHLH-UHFFFAOYSA-N 361.453 2.687 0 50 FFAA COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 8059598 OXOIHEWHFKLCQO-UHFFFAOYSA-N 371.842 2.844 0 50 FFAA COCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 9418931 KELPOGCLGVLCHE-JSGCOSHPSA-N 368.359 2.920 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCC[C@](C)(c4ccccc4)C3)c(=O)n2n1 102704571 FMAMJMFXFNPJQB-FQEVSTJZSA-N 350.422 2.525 0 50 FFAA CC(C)=CCN1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CCO 104462546 SAKVNMYBPWBOPB-OAQYLSRUSA-N 372.488 2.846 0 50 FFAA CNC(=O)[C@H]1CCN(Cc2ccc(C(=O)Nc3cccc(OC)c3)cc2)C1 65381522 MTIGIHIOLCADQF-KRWDZBQOSA-N 367.449 2.515 0 50 FFAA O=C(Nc1ccccn1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100622018 PCNUTYMXRXTFBM-DFEHZGFQSA-N 359.385 2.645 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3csc(C)n3)cnn2c1 67673875 ONAGJVUESJSMRP-LBPRGKRZSA-N 372.498 2.827 0 50 FFAA Cc1ccc(NC(=O)c2ccc(CN(C)[C@H](C)c3nc(C)no3)cc2)nn1 65393426 CPFCOHWVCXYSKH-CYBMUJFWSA-N 366.425 2.922 0 50 FFAA Cc1cc(CN(C[C@@H]2CN(C)CCO2)C(=O)Cc2ccc(F)cc2)c(C)[nH]1 252523104 BWSAZNWPOOKZED-FQEVSTJZSA-N 373.472 2.673 0 50 FFAA CCOc1ccccc1CCn1cnc2sc3c(c2c1=O)CCNC3 65404163 SUDKZHVYHMSGKV-UHFFFAOYSA-N 355.463 2.745 0 50 FFAA O=C(CCn1cnnc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 67856323 RUFYGCCRBJTYER-CQSZACIVSA-N 355.225 2.575 0 50 FFAA COCCCS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1 122302551 YTDNWMUEHLWHSK-QZTJIDSGSA-N 374.462 2.634 0 50 FFAA O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCOC[C@H]1[C@H]1CCCO1 332813523 QRBBIQZKAGOZCT-IXDOHACOSA-N 350.846 2.917 0 50 FFAA CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO 36385591 GKJNVSMVTWGGQJ-GOSISDBHSA-N 356.470 2.546 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3ccn(CC)n3)CC2)OC1=O 77299997 VBQPPOHVQCVWDN-UHFFFAOYSA-N 362.474 2.910 0 50 FFAA CC(C)(C)[C@H]1C[C@H](NC(=O)Nc2nnc(C3CCOCC3)s2)CCO1 333307360 DBCYRTHBWBOZJA-CHWSQXEVSA-N 368.503 3.147 0 50 FFAA Cn1ncc2c(N[C@@H]3CC(=O)Nc4ccccc43)nc(-c3ccncc3)nc21 72151391 PSGVEANQVPRLKA-MRXNPFEDSA-N 371.404 2.921 0 50 FFAA CC[C@]1(C(=O)O)CCCN(Cc2cc(Cl)ccc2OCC(=O)O)C1 215421677 GDGPHOBRLKLWFS-KRWDZBQOSA-N 355.818 2.880 0 50 FFAA O=C(O)c1cnc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cn1 439899212 VTFSLTHZYHTWIN-NSHDSACASA-N 365.311 2.823 0 50 FFAA Cc1c[nH]c(CN2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c(C)c1=O 77377850 ZIUUROBUCAZUOG-OAQYLSRUSA-N 357.498 2.606 0 50 FFAA O=C(NC1CC=CC1)[C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71761532 QFTYGFSKEOLIKQ-LJQANCHMSA-N 368.525 2.593 0 50 FFAA CCSc1nc(CC(=O)N2CCOc3ccc(CO)cc3C2)cs1 219723638 VRQYCOCUFGTYFD-UHFFFAOYSA-N 364.492 2.711 0 50 FFAA CN1CCC(C(=O)NCc2nc3ccccc3n2C)(c2ccccc2)CC1 215931860 UWYOCXGQIYCSAO-UHFFFAOYSA-N 362.477 2.853 0 50 FFAA CCCn1ncc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccn2)c1C 216007751 PEWJRJSUZYIMIK-GOSISDBHSA-N 350.426 2.508 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2ccon2)CCC(=O)N1Cc1ccc(F)cc1 71712001 USBNHHCOYYDQKQ-KRWDZBQOSA-N 359.401 2.713 0 50 FFAA COc1ccc(-n2cccn2)c(CN[C@@H]2CC(=O)N(c3ccccc3)C2)c1 72156964 XARHPIJUWLRVHD-QGZVFWFLSA-N 362.433 2.776 0 50 FFAA O=C(NCCF)[C@@H]1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1 71479452 KWMJWCZHLSPQTH-OAHLLOKOSA-N 374.460 2.594 0 50 FFAA O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 71375613 KQKYGRDZQXVQHU-UYAOXDASSA-N 364.445 2.549 0 50 FFAA COCCN1C[C@@]2(CCCN(C(=O)Cc3cc(C)ccc3C)C2)CCC1=O 77406755 GKVYYNACMYJJQM-QFIPXVFZSA-N 372.509 2.724 0 50 FFAA CCc1nc(C)sc1CNC(=O)[C@H](c1ccc2c(c1)OCO2)N(C)C 218897253 WBNYROBHXKSSSP-KRWDZBQOSA-N 361.467 2.662 0 50 FFAA NC(=O)c1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)o1 175670847 DMYYYWOTOZWJFF-UHFFFAOYSA-N 368.349 2.546 0 50 FFAA COC[C@@H](NC(=O)N1CCN(c2cccc(O)c2)CC1)c1ccc(C)o1 175699841 KQDZIZMHCAHIBB-QGZVFWFLSA-N 359.426 2.513 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cc2cc(F)ccc2o1 223376837 ILGRKSPZBXSDNC-RHSMWYFYSA-N 356.353 2.933 0 50 FFAA O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1Cc1cccnc1 40388293 HJPVKKSVJBBUGP-UHFFFAOYSA-N 354.373 2.550 0 50 FFAA Nc1nnc([C@@H](NC(=O)CSc2ccccn2)c2ccccc2)s1 222845040 RKJZOWICTAJKBG-AWEZNQCLSA-N 357.464 2.513 0 50 FFAA COc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CC2)CC1=O 82098763 MXNHBTZISMCKOC-UHFFFAOYSA-N 350.418 2.602 0 50 FFAA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1onc2c1CCCC2 426439107 YGMRTEQHCLVGBZ-INIZCTEOSA-N 351.410 2.706 0 50 FFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)[C@@H](O)c2ccccc2)C1 162924639 XDAANCDUUHVXCV-YJBOKZPZSA-N 360.841 2.777 0 50 FFAA COc1nc2c(cc1C(=O)NCc1noc(Cc3cccs3)n1)CCC2 91518675 LWDXROCUSYDKMO-UHFFFAOYSA-N 370.434 2.544 0 50 FFAA Cc1c(C(=O)N[C@H](CN)C2CC2)nnn1-c1ccc(-c2ccccc2)cc1 237842197 XGBFMCMIGGMMCP-LJQANCHMSA-N 361.449 2.710 0 50 FFAA Cc1cc(C)n2ncc(C(=O)N(C)C[C@H]3CCN(c4ccccc4)C3)c2n1 95359348 BJNUDXZKUDNZFP-QGZVFWFLSA-N 363.465 2.945 0 50 FFAA Cc1ccc2nc(CNC(=O)N3CCCC[C@@H]3CCn3cccn3)cn2c1 426491089 USUGFIKYZSXBHD-GOSISDBHSA-N 366.469 2.994 0 50 FFAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc(-c2cccnc2)nc1 91537052 LLOZUVDGCVUSFO-UHFFFAOYSA-N 370.416 2.997 0 50 FFAA O=C(O)[C@@H](c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 95374966 UDAQMLZHUIBJOT-LJQANCHMSA-N 372.396 2.545 0 50 FFAA Cc1nnc(CN(C)C(=O)c2cccc(-c3ccc(CCO)cc3)c2)o1 426635540 SWKXKSGHPCPNDE-UHFFFAOYSA-N 351.406 2.852 0 50 FFAA Cc1ccccc1CN1CC[C@H](CNC(=O)CCc2c(C)nn(C)c2C)C1 97346749 DSLKIXFLRZTVKQ-LJQANCHMSA-N 368.525 2.916 0 50 FFAA Cc1cccc(-c2n[nH]cc2C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1 96163677 FJYDLNXBRGEMHQ-QAPCUYQASA-N 366.421 2.669 0 50 FFAA O=C(CCc1ncnn1C1CCCCC1)NC[C@H]1COc2ccccc2O1 91288890 OTCORZATQMATDJ-INIZCTEOSA-N 370.453 2.672 0 50 FFAA Cc1nn(CCNC(=O)[C@@H](C)N2CCc3ccccc3C2)c(C)c1Cl 95383014 ZOTFQZPVMYIBDW-OAHLLOKOSA-N 360.889 2.716 0 50 FFAA CCN(CC)C(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2sc(C)nc2C)C1 95380986 QMOAOZJSALGQDC-CABCVRRESA-N 364.515 2.662 0 50 FFAA COc1ccccc1-n1cc(C(=O)NCCSc2ccccn2)cn1 91872086 JZUDZTPTCLGCIK-UHFFFAOYSA-N 354.435 2.798 0 50 FFAA O=C(NCCN1CCCC[C@H]1CO)Nc1ccc(Oc2ccccc2)nc1 96165592 GTRVECZQADVZCS-KRWDZBQOSA-N 370.453 2.842 0 50 FFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCS(=O)(=O)c1ccccc1 240824919 QMBXXSMLRJLDJT-AWEZNQCLSA-N 364.492 2.809 0 50 FFAA CC(C)[C@H](C(=O)NCc1cc(Cl)cc2c1OCC2)N1CCCC1=O 182484075 RPIJDCDHTSJCHY-MRXNPFEDSA-N 350.846 2.538 0 50 FFAA O=C(CN1CCCC[C@H]1CCn1cccn1)NCCc1ccc(F)cc1 244893089 YVMUFVDXXNZIPL-IBGZPJMESA-N 358.461 2.626 0 50 FFAA O=C(CC1(O)CCCC1)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O 184875605 FTKVZSGOECTAJX-ZDUSSCGKSA-N 370.371 2.622 0 50 FFAA CC[C@H](CNC(=O)N1CCC(c2ccnc(C)n2)CC1)N1CCCCC1 534647979 CPHVVMQRUTZOJZ-GOSISDBHSA-N 359.518 2.939 0 50 FFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)NCc1nc(C(C)(C)C)no1 534654463 IVOONQCUHFWXNA-UHFFFAOYSA-N 370.413 2.759 0 50 FFAA Cc1ccc2c(c1)c(-c1ccc(C(=O)N3CCC[C@H]3C(N)=O)cc1)nn2C 534654495 ZBZGSFAAECJGER-SFHVURJKSA-N 362.433 2.639 0 50 FFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1csc(Cc2ccccc2)n1 299792084 DVTKATSUOCPFEU-RDJZCZTQSA-N 359.495 2.571 0 50 FFAA CCn1c(C)cc2cc(NC(=O)NCCCN3CCC[C@@H](O)C3)ccc21 299795600 KRHZBTVZHKOKBK-GOSISDBHSA-N 358.486 2.938 0 50 FFAA COc1cccc(-c2cc(CNC(=O)N3CCC[C@H](N(C)C)CC3)no2)c1 584903994 KJOQFXLUOZUUOS-KRWDZBQOSA-N 372.469 2.976 0 50 FFAA CCc1nnc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)[C@H]2C)o1 952852559 ABSARFNJFIYLLR-JSGCOSHPSA-N 357.410 2.812 0 50 FFAA COc1cc(CC(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)ccc1C 952851188 HHNNXKWEMCLABA-JXFKEZNVSA-N 355.438 2.818 0 50 FFAA COc1ccc([C@@H](NC(=O)c2cnc(N(C)C)c(Cl)c2)[C@H](C)O)cc1 1875299098 YOMHORNRQNWBST-ZBEGNZNMSA-N 363.845 2.662 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N=c2cc(C)n([C@@H](C)C3CC3)[nH]2)cc1 1875373800 OXIACJSFUFFIHX-AWEZNQCLSA-N 352.438 2.986 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 1875374017 XOUAXIXYEKLPPZ-NRFANRHFSA-N 368.408 2.708 0 50 FFAA CCC[C@@H](C)C(=O)NC[C@@]12CC[C@@](Nc3ncncc3Cl)(CO1)C2 1875338792 MAMVIFJJHLQVJE-DQYPLSBCSA-N 352.866 2.786 0 50 FFAA CC1(C)C[C@@H](CNC(=O)C[C@H]2CC[C@H](C3CC3)O2)N(c2ncccn2)C1 1875406063 WAZANUYZCZDAHD-GVDBMIGSSA-N 358.486 2.545 0 50 FFAA COc1cc(S(=O)(=O)N(Cc2ccncc2)C2CC2)c(OC)cc1C 952967941 IKDJRMQRBARIDP-UHFFFAOYSA-N 362.451 2.761 0 50 FFAA CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(Cl)cc3F)CCO2)o1 279607509 RSNUWVWVEABLHQ-ZDUSSCGKSA-N 368.796 2.708 0 50 FFAA CC(C)(CNC(=O)N1CC(NC(=O)C2CC2)C1)c1cccc(Cl)c1F 187828575 NVVZGJXACPYVAD-UHFFFAOYSA-N 367.852 2.677 0 50 FFAA CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CCCCN1C1CCCC1 412628436 JQTMVHFXCXMYFH-KRWDZBQOSA-N 364.511 2.503 0 50 FFAA O=C(c1cccnc1)N1CCC(N2CCO[C@@H](c3ccccc3)C2)CC1 1506419992 PJCITFUOTVJRTP-HXUWFJFHSA-N 351.450 2.760 0 50 FFAA Cc1ccsc1CN(C)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 1506413058 GQAWPKRJZXUESP-UHFFFAOYSA-N 352.481 2.725 0 50 FFAA CC(C)(C)OC(=O)N1CCNC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 110914946 UCOMWFAVVZADAG-LJQANCHMSA-N 369.506 2.987 0 50 FFAA in-vitro COc1ccc(C=O)cc1Cn1nc(C)c(I)c1C 12355501 CGSWKTNGCKSNGU-UHFFFAOYSA-N 370.190 2.974 0 50 FFAA in-vitro OCC1(CO)[C@@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@H]21 1772811379 STWQWRSMRUADMP-RTBURBONSA-N 373.880 2.952 0 50 FFAA CSc1nccc(N2CCCN(C(=O)c3ccc(Cl)o3)CC2)n1 1772818034 LXRHHISIWPRXJG-UHFFFAOYSA-N 352.847 2.797 0 50 FFAA CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1 5388026 QLQHTMGIWVTORU-UHFFFAOYSA-N 368.418 2.569 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CN(C)Cc3ccccc3)C2=O)c1 12303496 ZMSHWKSWHAGGHR-QFIPXVFZSA-N 352.478 2.981 0 50 FFAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(CN(C)Cc2ccccc2)on1 12596110 HDBIBRHVQBNEBX-AWEZNQCLSA-N 367.453 2.840 0 50 FFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN([C@@H](C)COC)CC2 14733494 LLSNOCHFCLQZHQ-INIZCTEOSA-N 371.481 2.696 0 50 FFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCC[C@H](C)C2)c1 14996058 HGTHHQLUZHXRHF-HNNXBMFYSA-N 361.486 2.515 0 50 FFAA Cc1cc(=O)[nH]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 18219575 ZMNJUNYZMKJBBG-UHFFFAOYSA-N 360.461 2.990 0 50 FFAA N=c1[nH]c2cc(C(=O)NCc3nnc(-c4ccccc4)o3)ccc2s1 1857712578 RGGPVOQHLXGJIW-UHFFFAOYSA-N 351.391 2.689 0 50 FFAA CC(C)(C)c1ccc2oc(CNC(=O)[C@H]3CCc4ncnn4C3)nc2c1 1857715965 PNYQRNPRPJMNNM-LBPRGKRZSA-N 353.426 2.596 0 50 FFAA Cn1ccc2cc(-c3nccn3CCCN3CCC[C@H](C(N)=O)C3)ccc21 1857730711 VIVJARWPTIQNSS-SFHVURJKSA-N 365.481 2.629 0 50 FFAA COc1cccc([C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]2C(=O)O)c1 219802706 YDTWXGGOVGAQKS-MSOLQXFVSA-N 369.417 2.767 0 50 FFAA C[C@H](C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)C1CCOCC1 160233202 JQGKEJXTXLJQQY-ZDUSSCGKSA-N 359.426 2.666 0 50 FFAA COc1ccc(-c2nnc3sc(-c4cnn(C)c4C)nn23)cc1OC 36353788 GZDMDVTVMLAPSJ-UHFFFAOYSA-N 356.411 2.579 0 50 FFAA C[C@@H](C(=O)Nc1cc(Br)ccc1N(C)C)N1CCCCC1=O 2325728424 RVULFIOREIZUNU-NSHDSACASA-N 368.275 2.855 0 50 FFAA CCc1nc2ccccn2c1C(=O)Nc1ccc(CC(=O)OC)cc1OC 2325803190 WNXJSLKXBQRRMJ-UHFFFAOYSA-N 367.405 2.873 0 50 FFAA N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 2325855726 MOVZVTJOYCJMPO-HNNXBMFYSA-N 364.384 2.601 0 50 FFAA Cc1ccc2cc(CN3CC(NS(=O)(=O)c4ccccc4)C3)[nH]c2c1 2325859822 LWZWAVAQZXGYBH-UHFFFAOYSA-N 355.463 2.639 0 50 FFAA C[C@@H](C(=O)N1CC[C@]2(CCCN2C(=O)c2cnco2)C1)c1ccccc1 2325871711 WFEVIPBGECLMQB-FOIQADDNSA-N 353.422 2.685 0 50 FFAA O=C(/C=C/C1CC1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1cc3ccnc(Cl)c3[nH]1)C2 2325872673 IZAGSSTZMPOPIX-LJZLLUTESA-N 370.840 2.512 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)OCc1cccc(Br)c1 941372 LGGCRLJIULTXSJ-UHFFFAOYSA-N 374.190 2.789 0 50 FFAA O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(Br)c1 948349 JVLFYIRULHBFKO-UHFFFAOYSA-N 374.190 2.902 0 50 FFAA COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1 956673 UIWGKMFCPZHXMQ-QGZVFWFLSA-N 365.389 2.740 0 50 FFAA CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)O)c3)CC2=O)cc1 1072452 HCLNTRIGSCOPFN-HNNXBMFYSA-N 352.390 2.939 0 50 FFAA NC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCC2 2316099 BMXVEDILCAJYEF-UHFFFAOYSA-N 365.505 2.914 0 50 FFAA CCOC(=O)c1c(NC(=O)C2CCN(C(C)=O)CC2)sc(C)c1C 6742297 PACDVKLZXQFIRM-UHFFFAOYSA-N 352.456 2.739 0 50 FFAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Br)cc2C)CC1=O 8235037 VXPFRIFCBMHJOM-RYUDHWBXSA-N 369.259 2.579 0 50 FFAA COc1cc(C)c(-c2nc(CN3CCN(C)[C@@H](CCO)C3)c(C)o2)cc1C 106735385 PZXNKOZCZCDCEX-KRWDZBQOSA-N 373.497 2.774 0 50 FFAA COc1cccc(-c2nnc(SCC(=O)Nc3cccc(O)c3)n2C)c1 9095819 TXLOGRURHUQJSW-UHFFFAOYSA-N 370.434 2.927 0 50 FFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(C3CCCCC3)s2)C1 59745221 PFQOLIFCXHJSQX-ZDUSSCGKSA-N 365.503 2.918 0 50 FFAA C[C@@H](Oc1cccnc1)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 117788635 KBTKYRHWEJUGOS-MJGOQNOKSA-N 353.466 2.530 0 50 FFAA OCCOCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 22940589 SHDFUNGIHDOLQM-UHFFFAOYSA-N 356.466 2.605 0 50 FFAA in-vitro O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccn1 10012508 OROGNHGGDKRRNT-UHFFFAOYSA-N 367.430 2.916 0 50 FFAA Cc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)cs2)cc1 20394152 RWNQBQXZJRBSFH-GOSISDBHSA-N 371.506 2.942 0 50 FFAA COCCc1ncc(CN(C)[C@@H]2CCCN(CCc3ccccc3)C2)cn1 23374811 VMAJREOJPAOOBP-OAQYLSRUSA-N 368.525 2.804 0 50 FFAA O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 229533171 XEHUTJASKSUHPX-DFEHZGFQSA-N 368.433 2.774 0 50 FFAA CC(C)N1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1CCO 20598894 MOIKBLKKCAKJBH-IBGZPJMESA-N 362.905 2.803 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)C)c2ccccc2)C1 65362893 SGNJBPBRIFCHGO-ROUUACIJSA-N 366.527 2.952 0 50 FFAA C[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1cccc(-n2cccn2)c1 252587536 YYPNRTHKQAERHH-GIVGJKMXSA-N 351.406 2.572 0 50 FFAA Cc1nn(CCC(=O)N2CC[C@@H](C)C2)c(C)c1CCC(=O)N1CC[C@@H](C)C1 328667947 DJUYRRBNYOMMQJ-HZPDHXFCSA-N 374.529 2.559 0 50 FFAA C[C@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1cn2ccsc2n1 67851452 OGRQHPWTXZRCKK-JTQLQIEISA-N 353.407 2.983 0 50 FFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(C)nn2)CC1 65363507 BTONOYCWHTWMEO-UHFFFAOYSA-N 361.833 2.801 0 50 FFAA Cn1ncc2c1ncn1nc(-c3ccc(COc4ccc(F)cc4)o3)nc21 2800684 GOLCYGUSXISDTK-UHFFFAOYSA-N 364.340 2.989 0 50 FFAA CCCc1cc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)n(C)n1 215668164 NRFGKKLVVLNCSR-FQEVSTJZSA-N 353.422 2.623 0 50 FFAA COc1cc(CCCO)cc(-c2cc(CCCO)cc(OC)c2O)c1O 4268934 WWCXWQKUYMDYSQ-UHFFFAOYSA-N 362.422 2.632 0 50 FFAA biogenic CSCc1nc(CNC(=O)[C@H]2CC(=O)N(C)c3ccccc32)cs1 215243743 LFWDTUNBLUFTAE-ZDUSSCGKSA-N 361.492 2.773 0 50 FFAA Cc1[nH]c2c(CN3CCC(c4nnc(CO)n4C)CC3)cccc2c1C 216514990 OYILGLFGXXCJJH-UHFFFAOYSA-N 353.470 2.785 0 50 FFAA Cc1ccn(-c2cc(NCCNC(=O)Nc3ccc(Cl)cc3)ncn2)n1 72436885 WNOGIULLOBBHNW-UHFFFAOYSA-N 371.832 2.858 0 50 FFAA CC[C@H]1CN(C(=O)c2cccnc2NC)CCC(=O)N1Cc1ccccc1 71745958 WYDPXIRYNHAAKR-KRWDZBQOSA-N 366.465 2.777 0 50 FFAA COc1cc2c(cc1CN1CCN(Cc3ccccn3)CC1)OCCCO2 215421375 FKQPGIVNZBEGNZ-UHFFFAOYSA-N 369.465 2.569 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](CN3CCCC3=O)C2)c1 72428321 QDOIAFBGFGWYGV-SFHVURJKSA-N 372.509 2.865 0 50 FFAA Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H]3c2nnc(C)o2)c(C2CC2)n1 369158540 UWLBTGCFQGLXQW-OAHLLOKOSA-N 353.426 2.764 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)c3cncnc3C)CC2)OC1=O 77394110 RNHNMFHTFJQAMK-UHFFFAOYSA-N 360.458 2.648 0 50 FFAA CCc1cccc(NC(=O)NCCNc2cc(-n3ccnc3C)ncn2)c1 72139182 NVTZBIZVVWQFGE-UHFFFAOYSA-N 365.441 2.767 0 50 FFAA NS(=O)(=O)c1ccc(-n2ccnc2-c2cc(-c3ccccc3)no2)cc1 71711946 WCXLUBSLVUMQMB-UHFFFAOYSA-N 366.402 2.842 0 50 FFAA Cc1ccccc1[C@@H](CC(=O)Nc1cccc(CCC(=O)O)c1)NC(N)=O 262559704 VYRTZBYFDZNKQK-QGZVFWFLSA-N 369.421 2.750 0 50 FFAA Cc1ccn2c(=O)cc(CN3CCCC[C@@H]3CCn3cccn3)nc2c1 77301250 HDWQIVXLKWHLLW-GOSISDBHSA-N 351.454 2.644 0 50 FFAA COc1cccc(CCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c1F 376156558 OBTZJHAYSCPRJK-IBGZPJMESA-N 374.387 2.606 0 50 FFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](C)Cc3cnccn3)c12 72468188 DXWGIXNMTNCYDA-GFCCVEGCSA-N 360.425 2.567 0 50 FFAA O=C(NCc1nncn1CCc1ccccc1)[C@@H](O)c1ccc(Cl)cc1 219850375 UJCWYLGVMCPSHX-SFHVURJKSA-N 370.840 2.524 0 50 FFAA CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 241965544 UTRQWCCKMJFAAK-WMHQRMGPSA-N 356.422 2.676 0 50 FFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cccc(F)c2)C1 72419927 NFWXWPNIPMOEPC-QGZVFWFLSA-N 357.477 2.930 0 50 FFAA CN(CCCN1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccnn12 72409501 VEVNFBNFBNHHNE-UHFFFAOYSA-N 369.444 2.694 0 50 FFAA O=C(NCc1ccccn1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O 77436664 FRSPEQUBTGGXLU-UHFFFAOYSA-N 364.449 2.563 0 50 FFAA CCc1cc(N2CCN(c3ccc(O)cc3)CC2)n2nc(C)c(C)c2n1 72475948 SGUSZELKEGBZPC-UHFFFAOYSA-N 351.454 2.941 0 50 FFAA COc1cc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)cc(OC)c1 82098263 SONQVGBOPCEGSM-UHFFFAOYSA-N 367.449 2.785 0 50 FFAA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(C)c3)C2)CC1 20543085 OUETVAQFVQOTHQ-HXUWFJFHSA-N 353.514 2.515 0 50 FFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2csc(N)n2)c1 96131808 MADPCSZCFAGGAV-LBPRGKRZSA-N 373.482 2.995 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)C1CCN(C2CCOCC2)CC1 97604244 KZVPZKQGRFLDKY-UHFFFAOYSA-N 374.510 2.541 0 50 FFAA CCn1c(=O)oc2cc(NC(=O)NCc3snnc3C(C)C)ccc21 426414891 XDRYAMDANYRROF-UHFFFAOYSA-N 361.427 2.911 0 50 FFAA CCn1c(C)ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 91350921 GQVYQXAJRGVEMS-UHFFFAOYSA-N 373.884 2.788 0 50 FFAA CCCN1CCC[C@]2(CCN(C(=O)c3nc4ccc(C)cn4c3F)C2)C1=O 92061973 SGKUGJZJBIODLQ-HXUWFJFHSA-N 372.444 2.647 0 50 FFAA CCOc1ncccc1C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 91725732 RJBCCZWWYNOAIM-UHFFFAOYSA-N 369.469 2.818 0 50 FFAA COc1ccc(NC(C)=O)cc1NC(=O)N1CC(N2CCCC[C@@H]2C)C1 95524529 FCBBOBMDFBIEHH-ZDUSSCGKSA-N 360.458 2.744 0 50 FFAA CCc1nnc(CNC(=O)Nc2cc(-c3nnc(CC)o3)ccc2OC)o1 97468286 OXUIVWNOUJTDBL-UHFFFAOYSA-N 372.385 2.575 0 50 FFAA COc1ccc(CN2CCN(C)[C@@]3(CCC(=O)N(CC4CC4)CC3)C2)cc1 230208935 QTWVHJMHPKVMQA-JOCHJYFZSA-N 371.525 2.604 0 50 FFAA O=C(O)c1ccc(N2CCC(c3nccn3Cc3ccncc3)CC2)nc1 95361828 YLECDSZSDQVFOT-UHFFFAOYSA-N 363.421 2.804 0 50 FFAA Cc1ccc(-c2ccc(C(=O)N3CCN(C)C4(CCNCC4)C3)cc2)o1 97711640 SAYUVVXDXZFRST-UHFFFAOYSA-N 353.466 2.765 0 50 FFAA Cc1ccc(-c2nnn(CC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)n2)cc1 182138904 RFRFYMSKEXVZMK-CRAIPNDOSA-N 362.437 2.653 0 50 FFAA COCCN1CC2(CCC1=O)CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 91391496 FKCBPDVODKDCFH-KRWDZBQOSA-N 373.497 2.808 0 50 FFAA Cc1nc2c(c(N3CCN(c4cccnc4)CC3)n1)Cc1ccccc1OC2 95523192 SNRMJWVQYZZCLQ-UHFFFAOYSA-N 373.460 2.990 0 50 FFAA CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ncncc2Br)C1 269016574 OUVAACUOESLMGH-VXGBXAGGSA-N 355.280 2.760 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)ncn3C)C1 96152295 CYODKKQHDXPAPG-AWEZNQCLSA-N 357.458 2.686 0 50 FFAA O=C(CN1CCC[C@H]1C(=O)N1CCCCC1)Nc1ccc(Cl)cc1F 244678774 IJVDYVJYADRUQH-INIZCTEOSA-N 367.852 2.895 0 50 FFAA Cc1cccc2nc(CN(C)Cc3cc(-c4ccccn4)no3)cc(=O)n12 252505421 VRJOVOSSTFMLEI-UHFFFAOYSA-N 361.405 2.685 0 50 FFAA CCOC(=O)CNC1(c2nnnn2-c2c(C)cccc2CC)CCCCC1 36033793 XYVSFWJZKZCYSD-UHFFFAOYSA-N 371.485 2.845 0 50 FFAA CCN1C(=O)COc2ccc(NC(=O)N[C@H]3COc4ccccc4C3)cc21 299775149 HZLIDTDWDBYDAT-OAHLLOKOSA-N 367.405 2.557 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)N[C@@H](C)c1nc(C)sc1C)C(=O)CO2 299762957 FDSMVZPKKRLGPK-NSHDSACASA-N 359.451 2.671 0 50 FFAA CC(C)n1cc(NC(=O)N(CCCn2ccnc2)Cc2ccncc2)nn1 299762610 OKCDDEXCDZILDL-UHFFFAOYSA-N 368.445 2.575 0 50 FFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCN1CCCC[C@@H]1CO 670473096 SMHKUJQVBYUPAC-ZCYBBYNQSA-N 366.571 2.651 0 50 FFAA O=C([C@H]1CCc2nncn2CC1)N1CCc2ccccc2[C@@H]1c1cccnc1 1875298181 QOIOTMXMPUKHHP-UWJYYQICSA-N 373.460 2.800 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)c2cc(C3CCOCC3)[nH]n2)ccc1F 1875368081 OVBAXPJSXXUQJF-UHFFFAOYSA-N 358.373 2.820 0 50 FFAA CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)nn2C2CC2)C1 1875307429 YMMSQCMFDFVSEL-SNVBAGLBSA-N 374.363 2.588 0 50 FFAA C[C@H](c1cccc(OC(F)(F)F)c1)N1CCc2c(O)nc(O)nc2C1 1875307342 ARKJOUPASATCQL-SECBINFHSA-N 355.316 2.906 0 50 FFAA O=C(c1cnc2[nH]ccc2n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 1875307207 XETOYIYCBHBBQK-UHFFFAOYSA-N 362.389 2.659 0 50 FFAA C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2ccoc2)C(C)(C)C1 1875407403 ZHJKVRGZMBYJRX-NBZXXOOGSA-N 358.482 2.858 0 50 FFAA CN(Cc1ccccc1)S(=O)(=O)N1CCC[C@@H](CN2CCCCC2)C1 952974183 YSRZIECSZKMDOM-IBGZPJMESA-N 365.543 2.561 0 50 FFAA CCCn1c(CN[C@@H]2CCCN(c3nccnc3O)C2)nc2ccccc21 275430977 FFLYIFIAZVDQFX-OAHLLOKOSA-N 366.469 2.701 0 50 FFAA O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 170597820 UXBHVORQWNOSKT-CQSZACIVSA-N 366.776 2.699 0 50 FFAA CCNCC1CCN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 170677207 GTHAGEUVIZKSGJ-SFHVURJKSA-N 372.575 2.607 0 50 FFAA C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc2c(=O)[nH]cnc2cn1 187182554 QDUZJNTXJYGFMZ-ZDUSSCGKSA-N 350.422 2.804 0 50 FFAA C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2nnc(C3CCC3)n2c1 188134539 RXZWYMRHEHYAEF-LLVKDONJSA-N 369.450 2.815 0 50 FFAA O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)[C@@H]1C[C@H]2CC[C@H]1O2 225436490 SSPYDZMKUDCCIE-KYEXWDHISA-N 352.381 2.550 0 50 FFAA CN(CC(=O)N1CC2(CCOCC2)c2ccccc21)C(=O)c1cccs1 189855928 YYHHHTNAWMJLEO-UHFFFAOYSA-N 370.474 2.915 0 50 FFAA O=C(O)c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cn1 190640779 PENNJYNMMUXDQV-KRWDZBQOSA-N 358.369 2.505 0 50 FFAA Cc1cc(C(=O)N2CCCN(C(=O)CCc3n[nH]c(C)c3C)CC2)c(C)o1 1529167679 PVMWTWUKSCVLLL-UHFFFAOYSA-N 372.469 2.544 0 50 FFAA C[C@]1(O)CC2(CCN(Cc3[nH]c4ccccc4c3Cl)CC2)OC[C@@H]1O 1704335114 AGZABWONAGIZOD-WMZOPIPTSA-N 364.873 2.688 0 50 FFAA Cc1noc(C)c1C(=O)N1CCCN(C(=O)/C=C/c2ccccc2)CC1 1772708502 HQOIBOVZGZCTKY-MDZDMXLPSA-N 353.422 2.679 0 50 FFAA COCC1CCN(c2ccc(C(=O)NCC[C@@H]3CCCCN3C)cn2)CC1 11878935 YJHPBMOIPGBCEH-IBGZPJMESA-N 374.529 2.549 0 50 FFAA COC(=O)CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12750743 YTMLHXDLJONCIT-KRWDZBQOSA-N 355.438 2.936 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1 15073996 KRECZTIULKHKNG-MRXNPFEDSA-N 371.437 2.670 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(N(C)Cc3ccccn3)nc2)no1 19788130 OIMYDNZWVPMFES-UHFFFAOYSA-N 366.425 2.549 0 50 FFAA CN(c1ccccc1NC(=O)c1ccc(-n2cccc2)nc1)S(C)(=O)=O 151459647 OSMPMLQOXAWKDP-UHFFFAOYSA-N 370.434 2.520 0 50 FFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1n[nH]c3c1CCC3)CC2 1857673086 GCVYDEVIGPPPIW-UHFFFAOYSA-N 361.449 2.540 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1 1857693057 GKRFACRKNIHQSW-QGZVFWFLSA-N 355.438 2.698 0 50 FFAA CCCc1ccc(C(=O)NC[C@H]2[C@H]3CN(C(=O)CC)C[C@]34CC[C@H]2O4)cc1 1857720650 DCTTXWLVPHFIGA-JZJXAQOMSA-N 370.493 2.785 0 50 FFAA COc1ccccc1CC(=O)Nc1cc(C)cc(N2CCN(C)CC2)c1 242242362 XUDUFXIWCZTSTI-UHFFFAOYSA-N 353.466 2.937 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1c[nH]nc1-c1ccc(OC)cc1)C2 248176519 AOMFNKZWTCHDAC-APWZRJJASA-N 370.497 2.628 0 50 FFAA COc1cc(C(=O)N2CCC[C@@](C)(O)C2)ccc1OCc1c(C)noc1C 152420979 HPQNSPGKKRRHDM-HXUWFJFHSA-N 374.437 2.866 0 50 FFAA CN1CCC[C@]2(CO)CCN(C(=O)CCc3ccccc3Cl)C[C@@H]12 1704301103 JXDIPUJRBKUHKY-IEBWSBKVSA-N 350.890 2.578 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3cc4c(cc3Cl)OCO4)C1)CC2 1704341526 WCSIPFCSLUGFBX-IBGZPJMESA-N 372.856 2.921 0 50 FFAA CCn1nnc2c1CC[C@H](C(=O)Nc1ccc(-n3cnc(C)c3C)cc1)C2 2325737331 UQUNOFIJXIEMAL-HNNXBMFYSA-N 364.453 2.844 0 50 FFAA CC1(C)C[C@@H](CCNc2ccc(CCC(=O)N3CCCC3)cc2)C(=O)N1 2325772330 AWJPBDIMDNDZJK-QGZVFWFLSA-N 357.498 2.958 0 50 FFAA CC(C)(CN)CC1CN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)C1 2325813216 YUBUCUOHIVGHGP-GOSISDBHSA-N 361.555 2.610 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 2325889968 JTMLRKQRHVYWDV-OAHLLOKOSA-N 354.410 2.547 0 50 FFAA N[C@@H]1CCN(c2cccc(CNC(=O)Nc3cc(Cl)ccc3F)n2)C1 864779899 LHHFZCXNUHKCSR-GFCCVEGCSA-N 363.824 2.733 0 50 FFAA CCOC(=O)C1CCN(C(=S)Nc2ccc3nsnc3c2)CC1 780638 GGBFGLAWBHMBJE-UHFFFAOYSA-N 350.469 2.663 0 50 FFAA CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(C)cc2)cc1 840716 ULHQKPKCLPNFMY-UHFFFAOYSA-N 363.435 2.762 0 50 FFAA COC(=O)c1cccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 857477 GKIXRTDEAGAITF-INIZCTEOSA-N 354.406 2.880 0 50 FFAA COc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1 1276186 FAZQXFHJCJLUCY-UHFFFAOYSA-N 369.454 2.905 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CCC[C@@]23CCCN(C(C)C)C3=O)cc1 2356135352 AJSJBCVATOBSTK-JOCHJYFZSA-N 371.525 2.819 0 50 FFAA COc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)ccn1 2356169702 WMSMNTBDVVCHDE-YRISNDGFSA-N 352.434 2.850 0 50 FFAA COc1cccc(-c2nc(=NC(=O)c3ccoc3-n3ccnc3)s[nH]2)c1 328597257 GGZZLZBOIRVINA-UHFFFAOYSA-N 367.390 2.667 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc3nc(C)cc(C)n23)cn1 328645648 SFHFQZQOGHOTQQ-AEFFLSMTSA-N 367.457 2.512 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cccc3[nH]ccc23)CC(=O)N1C 328640181 XGQSLHOHBLGVCV-YLJYHZDGSA-N 351.454 2.580 0 50 FFAA CC(=O)Nc1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 65422093 FHIXIRPCQQPUFK-RBUKOAKNSA-N 368.433 2.724 0 50 FFAA Cc1ccc(N2CCN(Cc3nn(C)c4cccc(Cl)c34)CC2)nn1 65408685 FPAMGEMDZLYTIZ-UHFFFAOYSA-N 356.861 2.647 0 50 FFAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(=O)N3CCC[C@@H](O)C3)c2)C1 229785152 OUJJFEVIFUHBST-ATZDWAIDSA-N 374.481 2.704 0 50 FFAA Cc1noc(C)c1CN(C)Cc1cccn1S(=O)(=O)c1ccccc1 67867183 NPVIGPHYVMPADH-UHFFFAOYSA-N 359.451 2.962 0 50 FFAA COc1ccc(C(=O)N2CCCN(Cc3ccc(N(C)C)nc3)CC2)cc1 123228019 DUXPOAGEDHGPKJ-UHFFFAOYSA-N 368.481 2.504 0 50 FFAA CCn1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c1 252485357 GSCFSLLJWYKJSH-QGZVFWFLSA-N 356.470 2.937 0 50 FFAA Cc1ccc(F)c(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)c1 72433739 JPBMSRKCQKSXKV-SFHVURJKSA-N 374.456 2.812 0 50 FFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)c1cc2ccccc2s1 127070821 RWVVCENSSMWJAH-CABCVRRESA-N 360.479 2.698 0 50 FFAA CC[C@@H]1CN(C(=O)c2c(Cl)cnn2C)CCC(=O)N1Cc1ccccc1 71551759 SVJLBWORMLYAOW-OAHLLOKOSA-N 374.872 2.727 0 50 FFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1C=CS(=O)(=O)C1 72409544 GOCYTSDXWCMJJI-CYBMUJFWSA-N 362.476 2.717 0 50 FFAA Cc1cc(C)c(CNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)c(O)n1 457538925 XWQOIOUWSQQFQQ-QGZVFWFLSA-N 359.401 2.826 0 50 FFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N[C@H](C)CC(C)(C)O)C1 458396171 LUXFNAUPDCCQQU-ZBFHGGJFSA-N 351.466 2.952 0 50 FFAA COc1cc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)ccc1OCC(F)(F)F 153680619 JGOMSCQKYJMLPO-BETUJISGSA-N 374.403 2.778 0 50 FFAA CC1CCN(c2ccc(C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)cn2)CC1 363094520 BHYGRVCHZOGSLV-SFHVURJKSA-N 369.469 2.946 0 50 FFAA Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H](N2CCCC2)C1 363372833 WIOWBBJSKKNHPG-KRWDZBQOSA-N 358.486 2.789 0 50 FFAA Cc1ccc([C@@H](CNC(=O)c2cc3sccc3[nH]2)N2CCOCC2)o1 188492700 DETVEQFMPYJQGP-OAHLLOKOSA-N 359.451 2.934 0 50 FFAA CC[C@@]1(O)CCN(C(=O)c2ccc(Cn3ccc4ccccc43)o2)C[C@H]1O 72420443 RQIUQKYKKUZCQT-TZIWHRDSSA-N 368.433 2.631 0 50 FFAA CC(C)CN(CC(C)C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccs1 72133912 GZJVCMYVYPKQPW-KRWDZBQOSA-N 365.543 2.579 0 50 FFAA CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)CCCN1CC1CC1 71749151 YDXDMNWSYRILMQ-INIZCTEOSA-N 351.878 2.611 0 50 FFAA CCN(C)C(=O)c1ccc(N2CCC[C@@H](OCc3ccccn3)C2)nc1 77386691 HJWWOQUMBOXHCO-GOSISDBHSA-N 354.454 2.754 0 50 FFAA O=C(NC[C@@H]1CCCN(c2nc3ccccc3cc2CO)C1)c1ccco1 374547691 CRVMJVUZRRZJIW-HNNXBMFYSA-N 365.433 2.967 0 50 FFAA O=C(CCCN1CCOCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77355032 YIAIZIUSVLNEKO-QGZVFWFLSA-N 364.461 2.556 0 50 FFAA Cc1cc(C(=O)N(CCC(=O)O)Cc2cccc(Br)c2)no1 263289064 ZWHWOUGCIMOXBC-UHFFFAOYSA-N 367.199 2.863 0 50 FFAA NC(=O)c1cccc(CCNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 176188611 SOCDUPMPOIMDLB-UHFFFAOYSA-N 368.824 2.802 0 50 FFAA O=C(NC[C@H]1CC(Cc2ccc(F)cc2)=NO1)[C@@H]1Cc2ccccc2O1 14991381 FQJXFPIWJNBTQA-MJGOQNOKSA-N 354.381 2.633 0 50 FFAA CN1C(=O)C[C@H](C(=O)N2CC[C@@H](n3cccn3)C2)[C@@H]1c1cccc(Cl)c1 291174507 KDJBBGGXJJYXFM-RYRKJORJSA-N 372.856 2.530 0 50 FFAA Cc1nnc(SCC(=O)N2CCC[C@H](OCc3ccccn3)C2)s1 220383068 ZHHCXZXYQZEYHB-AWEZNQCLSA-N 364.496 2.541 0 50 FFAA CNC[C@@H]1CCN(C(=O)CCCOc2ccccc2Br)C1 179006112 CRZQVNVWXVDMSJ-ZDUSSCGKSA-N 355.276 2.676 0 50 FFAA Cc1nn(C)c(C(=O)NCc2nn(C)c3cccc(Cl)c23)c1Cl 426404084 BKWHGNKSMCVTQU-UHFFFAOYSA-N 352.225 2.852 0 50 FFAA COCc1nn2c(nnc3c(=O)n(C(C)C)ccc32)c1-c1ccc(F)cc1 40392082 YTDVZTOZTRQEMM-UHFFFAOYSA-N 367.384 2.973 0 50 FFAA CCC[C@@H](NC(=O)N1CCN(C)C2(CCN(C)CC2)C1)c1ccccc1 426470811 LUCLSESLSNULDO-LJQANCHMSA-N 358.530 2.949 0 50 FFAA CCN1CC[C@@H](CNC(=O)N(CC)CCc2nc3ccc(F)cc3[nH]2)C1 426440275 LTRRAPSFCKQWBH-AWEZNQCLSA-N 361.465 2.618 0 50 FFAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 239135309 LATQVWCYMOGPKT-DAXOMENPSA-N 358.413 2.669 0 50 FFAA O=C(O)CC[C@@H]1CN(c2nccc3ccccc23)CC[C@@H]1N1CCOCC1 91997807 DZGBKHAPMJTBLU-MJGOQNOKSA-N 369.465 2.627 0 50 FFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2nc[nH]c2C)C3)cc1F 91426224 ZNIOOISUNOPRKO-GOEBONIOSA-N 372.444 2.602 0 50 FFAA COC[C@H](NC(=O)Nc1cc(-c2nnc(C)o2)ccc1C)c1ccnn1C 96141092 CGAWQZONZPOMRG-HNNXBMFYSA-N 370.413 2.596 0 50 FFAA Cc1cc2ccccc2n1CCNC(=O)c1coc(CN2CCOCC2)c1 95358075 LIDCSLWFIJUPJP-UHFFFAOYSA-N 367.449 2.805 0 50 FFAA COc1c(F)c(F)c(Cn2ncc(N3CCCCC3)cc2=O)c(F)c1F 23145901 SSFFDSIBVAWSTG-UHFFFAOYSA-N 371.334 2.847 0 50 FFAA CN(C)C(=O)CCc1cccc(NC(=O)NCCN(C)c2ccccc2)c1 96165339 OMVZROGNBHPWHI-UHFFFAOYSA-N 368.481 2.965 0 50 FFAA CN1C(=O)C2(CCN(C(=O)CC[C@@H]3CCCCN3C)CC2)c2ccccc21 95368239 LYQSNVUEHGSSNS-KRWDZBQOSA-N 369.509 2.788 0 50 FFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(-c2cccn2C)n[nH]1 92037381 JBSGFVFIYIXDBC-UHFFFAOYSA-N 354.414 2.728 0 50 FFAA COCc1noc(CCNC(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)n1 91487033 URXOJVCFIKQFNG-UHFFFAOYSA-N 356.426 2.524 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2cc(C)nn2-c2ccccc2C)CC1 96131349 WQRADIUMFVIWGK-UHFFFAOYSA-N 371.441 2.795 0 50 FFAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCC(Cn3cc(C)cn3)CC1)C2 92045466 DVCAIMLNTPUOAL-GOSISDBHSA-N 369.465 2.690 0 50 FFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)CC1(CO)CCOCC1 91914546 WGEOCIBTDQBVDQ-INIZCTEOSA-N 357.450 2.855 0 50 FFAA COc1cc2c(cc1NC(=O)N(C)[C@@H](C)c1cccnc1)n(C)c(=O)n2C 96162345 GALPTJOIBCHGAC-LBPRGKRZSA-N 369.425 2.506 0 50 FFAA O=C(O)CN(C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C1CCOCC1 238105912 OUAFEDIYTWENKY-KBPBESRZSA-N 371.355 2.901 0 50 FFAA O=C1CCC2(CCN(CC[C@@H]3CCOC3)CC2)CN1Cc1ccccn1 91459539 CVDUXLZBYPMGQH-GOSISDBHSA-N 357.498 2.713 0 50 FFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2cccnc2)CC1 238882120 CKOFAZITMRVAKU-SHTZXODSSA-N 363.421 2.632 0 50 FFAA COc1ccccc1CCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 299061107 NMFMSOZWLBWIIL-SFHVURJKSA-N 352.434 2.718 0 50 FFAA O=C(N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCCO2 252536067 HNSNLYDCYVEBED-SIXWZSSISA-N 357.381 2.839 0 50 FFAA O=C(NCc1cscn1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 534674495 IZEHOIWSYKQGEQ-GOSISDBHSA-N 356.495 2.528 0 50 FFAA O=C(Cn1ccnc1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 39371937 QWIVTZJQKFYQSO-HXUWFJFHSA-N 356.445 2.537 0 50 FFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccs2)CN1CCCc1ccccc1 64074117 KFKMOUPAMLMBNA-SJORKVTESA-N 372.490 2.727 0 50 FFAA COc1ccccc1Oc1ccccc1NC(=O)N1CCOC[C@H]1CO 299797663 OOYPBALNIQUNQD-CQSZACIVSA-N 358.394 2.713 0 50 FFAA CCCOc1c(Cl)cccc1NC(=O)NCCc1nnc(N)s1 299797564 OQOFTDXTQGCEPC-UHFFFAOYSA-N 355.851 2.927 0 50 FFAA CCN(Cc1ccncc1)C(=O)NCc1cc2c(cc1OC)OCCO2 584884855 PTYUTVXVVUBHIM-UHFFFAOYSA-N 357.410 2.593 0 50 FFAA COC(=O)C[C@H](NC(=O)CCc1cncn1C)c1cccc2ccccc12 1875260319 WIADHZVYCFFBMC-IBGZPJMESA-N 365.433 2.927 0 50 FFAA CN(C(=O)c1cncc(NCC2CC3(CCOCC3)C2)n1)C1[C@@H]2CCC[C@@H]12 1875361378 YCZZTYPYMHHWLQ-HZPDHXFCSA-N 370.497 2.966 0 50 FFAA COc1ccc(C(=O)OCC[C@@H]2CCc3ccccc32)cc1-n1cnnn1 1875322807 ISYZNLQSCKRIHP-HNNXBMFYSA-N 364.405 2.948 0 50 FFAA Cn1ccnc1CN1CCOC2(CCS(=O)(=Nc3ccccc3)CC2)C1 1875393171 IIGKMPPXTFKANK-UHFFFAOYSA-N 374.510 2.585 0 50 FFAA CN(CCN(C)C1CCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 952987501 LFEPQFYFFTUJJJ-RBUKOAKNSA-N 363.546 2.748 0 50 FFAA COc1ccc(-n2nc(COc3ccccc3)nc2C2(CO)CC2)cc1 952974561 MDMPREMWEVECDM-UHFFFAOYSA-N 351.406 2.879 0 50 FFAA CC1CCN(C(=O)COc2ccccc2CNCc2csc(N)n2)CC1 952873712 NMTDNIKQORYHLR-UHFFFAOYSA-N 374.510 2.652 0 50 FFAA Cc1nc(C)c(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)s1 1565515117 XPTRGZFYIXEDJY-CABCVRRESA-N 370.478 2.532 0 50 FFAA O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 276472137 PXWVMYYEEPLWSX-QGZVFWFLSA-N 370.474 2.858 0 50 FFAA O=C(c1ccc(-c2ncn[nH]2)cc1)N1CC[C@H](Oc2cccc(F)c2)C1 186362624 TZZJHROSMCOYPP-KRWDZBQOSA-N 352.369 2.904 0 50 FFAA CNS(=O)(=O)c1ccc(N2CCC(c3c[nH]c4ccccc34)CC2)nc1 301223351 BXZIPTAYAMWPGV-UHFFFAOYSA-N 370.478 2.855 0 50 FFAA C[C@H]1CN(C(C)(C)CNC(=O)C2(C(=O)c3ccccc3)CC2)C[C@H](C)O1 170607880 MAKCHCBIKZSOEJ-HOTGVXAUSA-N 358.482 2.654 0 50 FFAA CCOC(=O)c1cnc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)n1C 170610453 BTGSLJNJURPTFW-UHFFFAOYSA-N 371.315 2.677 0 50 FFAA Cc1cc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)n[nH]1 280047074 OOSMZOWUHYMCGX-WFASDCNBSA-N 353.344 2.614 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](CO)[C@H]1CCCOC1 412707272 IOADZQWBJGBXHV-DZGCQCFKSA-N 364.442 2.775 0 50 FFAA COc1cc(NC(=O)N[C@@H](CN)C2CCCCC2)cc(-n2cccn2)c1 415639145 CJQIOWJLSOSBRW-SFHVURJKSA-N 357.458 2.910 0 50 FFAA CCn1cc([C@H]2CN(C(=O)Nc3ncn(C4CCCCC4)n3)CCO2)cn1 190269551 FOMROCWKTJOSLF-MRXNPFEDSA-N 373.461 2.605 0 50 FFAA CCn1cc([C@H]2CN(C(=O)c3coc(-c4ccccc4)n3)CCO2)cn1 191801692 SVNLQWRFUPKUPI-QGZVFWFLSA-N 352.394 2.772 0 50 FFAA Cc1noc2ncnc(NCC3CCN(C[C@@H](O)c4ccccc4)CC3)c12 192451358 FFWLPIAYBZRHAT-QGZVFWFLSA-N 367.453 2.784 0 50 FFAA Nc1nc2c(c(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)n1)CCCC2 1506425853 SELBADASOHAJJY-QGZVFWFLSA-N 372.494 2.585 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1nc(=O)c2ccccc2[nH]1 1506422891 SOKXNKPRYZYAAR-OAHLLOKOSA-N 365.437 2.513 0 50 FFAA Cc1c(-c2ccccc2)noc1NC(=O)c1cn([C@H]2CC[C@@H](N)CC2)nn1 1529177743 FRPOTTBNCNUAAA-GASCZTMLSA-N 366.425 2.936 0 50 FFAA O=C1CO[C@H](C(=O)NCCc2ccc3ccccc3c2)[C@@H](c2ccccc2)N1 1529101080 AJQPRJISQBSCQL-YADHBBJMSA-N 374.440 2.755 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H]3NCCC[C@@]3(CO)C2)c(-c2ccccc2)o1 215235420 SULMCTPTQAPSOB-RXVVDRJESA-N 354.450 2.832 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)o1 1615739027 CKUGRBPEGAOBOZ-YJBOKZPZSA-N 365.433 2.769 0 50 FFAA CCOC(=O)C1CCN(C(=O)c2coc(COc3ccccc3)n2)CC1 12074944 YTDXXKZCRMATTI-UHFFFAOYSA-N 358.394 2.669 0 50 FFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1 14398646 VGDCIMKZJWCPFY-UHFFFAOYSA-N 369.440 2.625 0 50 FFAA CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)c2ccco2)CC1=O 14743539 FUTCUDLNJIYKKJ-SFHVURJKSA-N 370.449 2.805 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N3CCC[C@@H](OC)C3)nc2)n1 19782070 IOICQXQBFKNPLQ-OAHLLOKOSA-N 360.483 2.646 0 50 FFAA CC[C@]12COC(=O)N1CCN(c1nccc(-c3ccc(C)nc3C)n1)C2 1857695196 ZGJWBPIXKVEZOM-IBGZPJMESA-N 353.426 2.576 0 50 FFAA Cc1cccnc1CC(=O)N1CCO[C@@H](CO)[C@@H]1c1ccccc1Cl 1857723738 TZPYMZRSJUYTRJ-HKUYNNGSSA-N 360.841 2.547 0 50 FFAA CN(C(=O)c1n[nH]c(=O)c2ccccc12)[C@H]1CCCN(c2ccccc2)C1 115458096 KBOWPMFBQTWGEO-INIZCTEOSA-N 362.433 2.664 0 50 FFAA CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H](C(=O)O)C2)c1 236694700 CIYAFJJUVYSNQF-JTQLQIEISA-N 356.216 2.783 0 50 FFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 238089087 YZZHXJWSWDJHIW-GZBFAFLISA-N 353.365 2.551 0 50 FFAA O=C(Cn1cnnn1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 155042155 GYYCOFKZCZJYDN-UHFFFAOYSA-N 352.225 2.686 0 50 FFAA C[C@@](CNC(=O)c1ccc2c(c1)OCCCO2)(C(=O)O)c1ccccc1 263266619 HMMUYJSNTMVSBM-FQEVSTJZSA-N 355.390 2.620 0 50 FFAA COc1ccc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1102277 IOOFZEAVFUBZDC-IBGZPJMESA-N 374.462 2.555 0 50 FFAA O=C(/C=C/c1ccccc1)NCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 2325704750 JFJKPTMOIRLUGN-MAAKRFGKSA-N 368.477 2.670 0 50 FFAA C[C@H](CNC(=O)c1n[nH]c2cc(OC(F)(F)F)ccc12)c1ncc[nH]1 2325781586 LGDYUVQRXRRKNC-MRVPVSSYSA-N 353.304 2.718 0 50 FFAA C[C@H](Cc1cnn(C)c1)NCc1cnc2sc(Br)cn12 2325801615 PTHYRNRUAPHIRJ-SECBINFHSA-N 354.277 2.613 0 50 FFAA COCc1nn(C)cc1NC(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 2325803388 CZQNDCFKRQMAMT-CQSZACIVSA-N 357.414 2.552 0 50 FFAA CC(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2CN(C)C)CC1 2325868342 WXLADQNQYMWATH-QGZVFWFLSA-N 359.514 2.715 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NCc2cc(Br)cs2)C1 2325888593 JBFMNWNFYFMKGG-SNVBAGLBSA-N 357.273 2.551 0 50 FFAA C=CC(=O)NCC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 2325888685 QSEDNWVQAMIWCA-LBPRGKRZSA-N 369.284 2.747 0 50 FFAA CSc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 1065515 PKWCFEIJQAAPHR-GFCCVEGCSA-N 350.465 2.714 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 2356140116 UYEKZPVUEZBNCP-BTYIYWSLSA-N 352.434 2.847 0 50 FFAA COc1cc(-c2onc(N3CCC[C@@H](N(C)C)C3)c2C(=O)O)ccc1F 2356141747 OBQANCZPYMICON-GFCCVEGCSA-N 363.389 2.718 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@@]4(CCc5c[nH]nc54)C3)CC2)cc1 2356141942 WXKLXTSGPXABNA-HXUWFJFHSA-N 351.450 2.957 0 50 FFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1cnc(N2CCCCC2)nc1 2356166535 BSCXGNDHIPCROE-OAQYLSRUSA-N 369.513 2.586 0 50 FFAA COc1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 8495977 BJPYFRCSCPJNJD-AWEZNQCLSA-N 354.406 2.856 0 50 FFAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc3ccccc3n2)CC1 115388095 LGCQQGUEPKVWFZ-UHFFFAOYSA-N 363.465 2.543 0 50 FFAA Cn1ncc(Cl)c1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328608134 YEEKXKZECUTOEM-FZKQIMNGSA-N 361.877 2.963 0 50 FFAA Cc1cc(C)n2c(C(=O)N(C)CCCSc3ccccc3)nnc2n1 55108167 SKNORUOPCFDJCG-UHFFFAOYSA-N 355.467 2.996 0 50 FFAA COc1cc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1Cl 247838984 KFEWFGYTMYAPTN-PVFTVIPPSA-N 351.786 2.819 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 172804009 PRBKSLPPRQIPQQ-OAHLLOKOSA-N 351.878 2.847 0 50 FFAA COc1ccccc1CNC(=O)C1(Oc2ccc(C)cc2)CCNCC1 65406931 BSYUQSSEJGWWCS-UHFFFAOYSA-N 354.450 2.821 0 50 FFAA Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)on1 248424594 NOFFUKZXGBJVCS-NWDGAFQWSA-N 371.363 2.862 0 50 FFAA CCc1nnc(CNC(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)s1 67842702 VNVOAWXBFFJHQF-UHFFFAOYSA-N 366.450 2.757 0 50 FFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncncc2Br)cn1 328626960 MHAIOZKZWCICLM-QWHCGFSZSA-N 352.236 2.788 0 50 FFAA Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCCO)cc1 22590774 JGDZCSIXWGKLPP-UHFFFAOYSA-N 372.450 2.533 0 50 FFAA O=C1[C@H](N2CCC[C@H]2c2nc3c([nH]2)CCCC3)CCN1CC(F)(F)F 328656289 ZFUIMXOWFYGVLJ-UONOGXRCSA-N 356.392 2.589 0 50 FFAA CCCCN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1 20352045 QXBCBXSHJGDDII-UHFFFAOYSA-N 372.513 2.793 0 50 FFAA COc1cccc([C@H]2CCN(C(=O)c3cnn4cc(C)cnc34)C2)c1OC 65382913 JPNFIIHOEYYYGH-AWEZNQCLSA-N 366.421 2.685 0 50 FFAA CCn1nc(C)c(NC(=O)CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)c1C 65419722 OHNZVWIDWRMBBN-AWEZNQCLSA-N 372.469 2.923 0 50 FFAA CCOC(=O)c1sc(NC(=O)c2cc(F)ccc2F)c(C(N)=O)c1C 2747855 JRJUUGMMOSWRMX-UHFFFAOYSA-N 368.361 2.863 0 50 FFAA C[C@H]1CN(Cc2nc3cc(Br)ccc3o2)CC[S@](=O)C1 285454096 YHGGOYCCTSWVCT-FVINQWEUSA-N 357.273 2.791 0 50 FFAA CCn1cc(-c2ccnc3cc(C(=O)Nc4cc(C)ccn4)nn23)c(C)n1 6243887 XQNBUZJCZIFQHV-UHFFFAOYSA-N 361.409 2.877 0 50 FFAA O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCn2cncc2C1 332852316 XOJXJCKGJRUDGS-OLZOCXBDSA-N 362.836 2.633 0 50 FFAA Cc1cc(COc2ccccc2)oc1C(=O)N1CCC[C@](O)(CO)CC1 72167833 FAYXXKFZDGMUHY-HXUWFJFHSA-N 359.422 2.517 0 50 FFAA O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC2(CCC2)S(=O)(=O)CC1 333940572 ODXSSYQKWFNALW-AWEZNQCLSA-N 372.437 2.746 0 50 FFAA Cc1cc(N2C(=O)N[C@H](C3CCOCC3)C2=O)cc(F)c1Br 333945112 SMSFQLOTNOXWMB-CYBMUJFWSA-N 371.206 2.748 0 50 FFAA Cc1c(F)cccc1NC(=O)NCCNc1cc(N2CCCC2)ncn1 72115624 VAFKFXQIPXPBIT-UHFFFAOYSA-N 358.421 2.758 0 50 FFAA CC(C)CN1C(=O)CC[C@H]2CN(C(=O)c3ccc4[nH]cnc4c3)CC[C@H]21 72463440 KHPIKYNMPHWSMX-MAUKXSAKSA-N 354.454 2.672 0 50 FFAA CCOC(=O)c1cccc(N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)n1 77300591 GDQYKHFUYZSUJS-NRFANRHFSA-N 371.481 2.877 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCc3nc(-c4ccccc4)no3)C2)n1 77344247 QKUFKFKQJAUEQU-QGZVFWFLSA-N 365.437 2.956 0 50 FFAA CCc1nn2c(/C=C/N(C)C)c(C(=O)OC)nnc2c1-c1ccc(F)cc1 70461119 PFDQHCZZUNVQKX-ZHACJKMWSA-N 369.400 2.812 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2csc(C)c2)CC1 77387804 UVPKKNMLKRFXDN-UHFFFAOYSA-N 361.515 2.749 0 50 FFAA CC(=O)NC1CCN(c2cc(-c3ccccc3F)nc3ccnn23)CC1 72154415 ZSWKDKMQYXHXOP-UHFFFAOYSA-N 353.401 2.640 0 50 FFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 133023831 XOIDTLDZTBOCSC-GFCCVEGCSA-N 368.437 2.672 0 50 FFAA Cc1cnc(CN2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)[nH]1 77322188 GEYBZFWMAIYRNE-UHFFFAOYSA-N 366.421 2.765 0 50 FFAA O=C1CCc2cc(C(=O)N3CC[C@](O)(c4ccc(F)cc4)C3)c(F)cc2N1 375023522 UQTLRSLGZCEBOV-HXUWFJFHSA-N 372.371 2.583 0 50 FFAA Cc1nn(C)c(C)c1-c1ccnc(N(C)C[C@@H]2COc3ccccc3O2)n1 48428389 VSSUGCHZZGRVCK-OAHLLOKOSA-N 365.437 2.770 0 50 FFAA CCCc1cc(C(N)=O)c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)s1 17074936 FXFNZVXJGPCMNV-GSNUKPDKSA-N 364.467 2.875 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N1CCC(CCn2cccn2)CC1 82099769 GYKGIYVMBQKLCL-UHFFFAOYSA-N 355.438 2.873 0 50 FFAA Cc1n[nH]c(SCC(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)n1 223802602 PJDSTSSCBPAOCY-UHFFFAOYSA-N 359.455 2.960 0 50 FFAA O=C1[C@H](NC2CCOCC2)CCCN1Cc1cccc(C(F)(F)F)c1 179973417 CFQGSSYNZWLJME-MRXNPFEDSA-N 356.388 2.965 0 50 FFAA CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(C)cc1C 239173779 OQKZCXNJYXOFJA-LXJANLPBSA-N 364.445 2.667 0 50 FFAA O=C(NCCN1CCc2ccccc2C1)c1ccc([C@@H]2CCCNC2)cc1 95355660 FETJGAUZANORPY-OAQYLSRUSA-N 363.505 2.942 0 50 FFAA CCN(CC)C[C@@H](O)COc1cc(CN2CCC(F)CC2)ccc1OC 95520256 ZQUJJRNHQGYWQP-GOSISDBHSA-N 368.493 2.711 0 50 FFAA CO[C@H]1CCCOC12CCN(C(=O)Cc1csc(C(C)=O)c1)CC2 97638015 SODDGQSNLJHBBC-INIZCTEOSA-N 351.468 2.680 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)CCc3scnc3C)C[C@H]2C(=O)O)c1 91321902 MCUNVQJCLNNMLY-JKSUJKDBSA-N 374.462 2.720 0 50 FFAA Cc1cc(C)n([C@@H]2CCN(C(=O)COCc3nc4ccc(F)cc4[nH]3)C2)n1 91391241 SUKRVJKTTOQTFH-OAHLLOKOSA-N 371.416 2.506 0 50 FFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCN2CCCCC2=O)c1 97654101 DPMAHXHCLCGBSD-IBGZPJMESA-N 358.482 2.905 0 50 FFAA CC(C)(C)c1ncc(NC(=O)N2CCN(Cc3ccccn3)CC2)cn1 162643989 ZCYYOMWLDOVZAL-UHFFFAOYSA-N 354.458 2.519 0 50 FFAA COc1ccc(Cn2nc(C)cc2NC(=O)NC[C@H]2CCCO2)cc1OC 96152672 OSXPIEXQKNGNLV-OAHLLOKOSA-N 374.441 2.558 0 50 FFAA CC(C)(CN1CCOCC1)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95366411 WJCGWDCGUJRSGC-IBGZPJMESA-N 360.498 2.923 0 50 FFAA N[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C[C@@H]1c1ccccc1 91435266 WZYONJDSIVXPMN-MOPGFXCFSA-N 359.429 2.609 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91745249 MKBWOBSVIXLJMK-DZGCQCFKSA-N 367.478 2.756 0 50 FFAA COc1ccc([C@@H]2CN(C(=O)c3cccnc3SC)C[C@H]2N(C)C)cc1 95506521 BVQZCVPITYYTQS-ZWKOTPCHSA-N 371.506 2.982 0 50 FFAA Cc1cccc(CN2CCC(N3CCC(C(=O)N(C)C(C)C)CC3)CC2)n1 97463738 WFUNKSLHUHPVQQ-UHFFFAOYSA-N 372.557 2.933 0 50 FFAA Cc1csc(S(=O)(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)c1 91746325 CJDBZVGSMVNLDW-INIZCTEOSA-N 351.493 2.802 0 50 FFAA O=C(NCCN1CCOCC1)Nc1ccc2oc(-c3ccccc3)nc2c1 95520779 MTEHEIIBOQUEFA-UHFFFAOYSA-N 366.421 2.949 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1Cl 245227598 KPNMDLILISIXJP-PNZLXGSGSA-N 370.836 2.704 0 50 FFAA O=C(CCN1CCO[C@@H](c2ccccc2)C1)Nc1nnc(C2CC2)s1 240971754 UCDBDVOKLYZDSH-OAHLLOKOSA-N 358.467 2.818 0 50 FFAA O=C(c1n[nH]c2c1COCC2)N1CCCC[C@@H]1CCc1ccc(O)cc1 244605523 FABNWLQPIWMAFC-OAHLLOKOSA-N 355.438 2.816 0 50 FFAA Cc1nn(C(C)(C)C)cc1C(=O)NCCCc1nnc2n1CCCCC2 182350067 HCNXGJJSXREEFA-UHFFFAOYSA-N 358.490 2.627 0 50 FFAA COc1cc2c(cc1OC)[C@@H](CC(=O)O)N(C(=O)c1ccc(C)n1C)CC2 299395760 LKBYBNZWOSULEE-MRXNPFEDSA-N 372.421 2.565 0 50 FFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(Cn2ccnc2)o1 253378469 GJOMTGWHQIZZCA-IIYDPXPESA-N 357.435 2.828 0 50 FFAA CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(C(=O)c2ccccc2O)CC1 184564561 XEJKXXPRFABUBS-LPHOPBHVSA-N 374.481 2.662 0 50 FFAA COC(=O)c1cn(Cc2c(OC)ccc3ccccc23)cc2c(=O)[nH]nc1-2 263588542 VMBNSINPFMZTOS-UHFFFAOYSA-N 363.373 2.673 0 50 FFAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4)cc3C(=O)N2C1 534631783 ZRDZXNQHLIQYMB-QAPCUYQASA-N 353.397 2.590 0 50 FFAA Cn1nnc2cc(C(=O)N3CCC[C@H](CCc4cccc(F)c4)C3)cnc21 71751626 VCLWCTLBNHQELJ-OAHLLOKOSA-N 367.428 2.987 0 50 FFAA O=C(Nc1ccc(F)c(F)c1F)NC1CCN(c2cnccn2)CC1 299801627 ZKSPWLQHTNNOSQ-UHFFFAOYSA-N 351.332 2.684 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1OCCCN 299776497 CFLSSQVMNVWNDM-QGZVFWFLSA-N 354.454 2.532 0 50 FFAA CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1ccc3c(c1)OCCO3)C2 299766040 AWZLMCWRURWQQN-UHFFFAOYSA-N 354.410 2.994 0 50 FFAA COc1ccccc1-c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cc1 299773229 AZEXACDACZTGLN-PMACEKPBSA-N 366.461 2.955 0 50 FFAA CC1=NO[C@](C)(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)C1 299775647 LTHMGVZBJRAREW-SFHVURJKSA-N 358.467 2.890 0 50 FFAA CCOC(=O)c1coc(-c2ccc(NC(=O)N3CC[C@H](N(C)C)C3)cc2)n1 299758101 BTTVRHLVNFVMQO-HNNXBMFYSA-N 372.425 2.686 0 50 FFAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cnc(C2CC2)nc1 670451337 TWUMHAWPNPMTEK-SFHVURJKSA-N 350.466 2.963 0 50 FFAA Cn1cc(CCC(=O)N[C@H]2CC23CCN(CC2CCCCC2)CC3)cn1 952894177 MSXOOSKHFWLPRQ-IBGZPJMESA-N 358.530 2.904 0 50 FFAA C[C@H](NC(=O)[C@H]1CCCc2sc(=Nc3ccccc3)[nH]c21)[C@@H]1CCNC1 1875314950 BPENQEUPFLOSJW-LZWOXQAQSA-N 370.522 2.843 0 50 FFAA Cc1nc([C@@H](C)N2CC[C@@H](CCNC(=O)c3ccc(F)c(C)c3)C2)n[nH]1 1875322871 LETKRNLTNLONFJ-UKRRQHHQSA-N 359.449 2.764 0 50 FFAA COc1ccc([C@H](NC(=O)N2CC3(CCOC3)C2)C(F)(F)F)cc1F 886071791 JGIVOHOVIZTMPT-ZDUSSCGKSA-N 362.323 2.870 0 50 FFAA CCN1C(=O)C[C@@H](CNCc2cccc(OC)c2F)[C@@H]1c1cccnc1 886066030 MLXDHZQKXVMXAG-JXFKEZNVSA-N 357.429 2.929 0 50 FFAA Cc1c[nH]c(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c(C)c1=O 1565513415 LHCZTZHCJVTWMX-WBVHZDCISA-N 358.511 2.545 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3CCC(=O)NC(C)C)cc1 1565507450 WAUXZFJROHCAIB-MOPGFXCFSA-N 359.514 2.506 0 50 FFAA CCc1nccn1CCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](N(C)C)C1 1565516394 CCWAUSYOJYGRAJ-MOPGFXCFSA-N 354.498 2.700 0 50 FFAA O=C(CCc1ccccn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275395341 AUSFFTLOYBRFJX-SFHVURJKSA-N 366.465 2.689 0 50 FFAA CCN(CC(=O)O)C1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 186641145 YLNSLIZSQGVSNL-OAHLLOKOSA-N 364.461 2.792 0 50 FFAA CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 170598941 YDDPQSLCMHGFPQ-RHSMWYFYSA-N 352.500 2.976 0 50 FFAA Cc1ccc(CC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)cn1 190530297 LKVKQQQEDVGOBS-KRWDZBQOSA-N 358.511 2.678 0 50 FFAA CN(Cc1cn(C)nc1C(F)(F)F)[C@@H]1CCc2ccccc2NC1=O 192123468 CSLCHOQHXQMOOO-CQSZACIVSA-N 352.360 2.824 0 50 FFAA CO[C@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1Cc1cc(C)no1 1529167289 IGMGGZZNPWMELA-CTNGQTDRSA-N 366.465 2.917 0 50 FFAA Cn1ncc2c(N)nc(NC[C@H](c3ccccc3)N3CCCCCC3)nc21 1529188842 DUUSTTIVNYTCDG-QGZVFWFLSA-N 365.485 2.975 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)C[C@@H]2CCCOC2)CC1 1704306486 VEZTXQXMPAIBJU-INIZCTEOSA-N 359.466 2.902 0 50 FFAA COc1cccc([C@H]2CN(C(=O)CCc3scnc3C)C[C@@H]2C(=O)O)c1 219776963 MCUNVQJCLNNMLY-CVEARBPZSA-N 374.462 2.720 0 50 FFAA O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704347903 HUWXABVUPDVBDV-OXQOHEQNSA-N 374.444 2.578 0 50 FFAA COc1ccc(N2C[C@@H](C(=O)Nc3onc(C)c3C)CC2=O)cc1Cl 1851515390 NLQNMFZVLATLCM-NSHDSACASA-N 363.801 2.945 0 50 FFAA Cc1ccc2nc(SCC(=O)N3C[C@@H]4CNC(=O)C[C@@H]4C3)cc(C)c2c1 1775981813 WVXQBCRXGRQOMQ-CABCVRRESA-N 369.490 2.538 0 50 FFAA COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 5415689 DCWODOWBOHYQMM-UHFFFAOYSA-N 369.826 2.937 0 50 FFAA Cc1ccn(CCC(=O)NC[C@@H]2Cc3cccc(-c4ccncc4)c3O2)n1 11785733 ZYYDFWMHLUPUOD-SFHVURJKSA-N 362.433 2.764 0 50 FFAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CSC)C1 11998338 SSTBHSGLLBKUTQ-LJQANCHMSA-N 365.495 2.990 0 50 FFAA COc1ccc(OCc2nc(C(=O)N(C)Cc3cccnc3)co2)cc1 12306681 PHDSQZYVJLRLRZ-UHFFFAOYSA-N 353.378 2.929 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 12435405 MEDYSINSXQMUKR-DYLHUKMJSA-N 364.401 2.945 0 50 FFAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)s1 15073584 UTHUVIGAWCTMKB-OAHLLOKOSA-N 357.479 2.549 0 50 FFAA C[C@H]1CCCCN1C(=O)C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O 16661453 WCNJUSALWCIPNY-HOCLYGCPSA-N 352.438 2.910 0 50 FFAA COc1cnc(N[C@@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)nc1 1857687575 ZJIYTTYVAVAXAE-HLLBOEOZSA-N 360.845 2.765 0 50 FFAA CCCCNC(=O)N1CCCN(C(=O)Cc2cccc(F)c2F)CC1 1857687733 BRBLXYINITUWRF-UHFFFAOYSA-N 353.413 2.551 0 50 FFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3ccc(OC)c(C(=O)O)c3)C[C@H]12 1857721498 RTMIVJPRNPWAAT-CJCBUOBESA-N 373.449 2.827 0 50 FFAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2526804 CJGSLUBWMLBOFZ-ORAYPTAESA-N 367.401 2.845 0 50 FFAA in-vitro CC(C)c1nnc([C@H]2CN(C(=O)CO[C@@H]3CCC[C@@H](C)C3)CCO2)o1 328613775 UDAZUHYXRPQPGT-RBSFLKMASA-N 351.447 2.688 0 50 FFAA Cc1nc(C(=O)N(C[C@H](C)C(=O)O)C2CC2)nn1-c1ccc(Cl)cc1 237477081 KNBNZSLNAVHYBF-JTQLQIEISA-N 362.817 2.554 0 50 FFAA O=C(O)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 238029524 GSPSFIRDDMQGAD-KGLIPLIRSA-N 352.228 2.876 0 50 FFAA O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(=O)n(-c2ccccc2F)n1 152969852 XTULCFQVSKVDDQ-MRXNPFEDSA-N 367.355 2.928 0 50 FFAA O=C(c1ccc2nc[nH]c2n1)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 368205205 ZKBIPYNZOSXYAS-OAHLLOKOSA-N 374.347 2.773 0 50 FFAA COC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 34587126 UEUZUMRMWJUEMK-QGZVFWFLSA-N 369.373 2.541 0 50 FFAA in-vitro C[C@@]1(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)NC(=O)NC1=O 267262739 QLFCGKVTROGYFT-KXBFYZLASA-N 369.446 2.780 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)c(C)c1 1704311236 AOWATNOBWKYIBB-RBBKRZOGSA-N 369.461 2.884 0 50 FFAA O=C(Cc1ccc2c(n1)NCCC2)N[C@H]1COc2cc(Cl)ccc2C1 2325850750 GXACACJGTMALAB-MRXNPFEDSA-N 357.841 2.756 0 50 FFAA CC[C@@H](C)CC(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 2325867854 HMAPJAPCSUSSEN-NIKGAXFTSA-N 353.466 2.977 0 50 FFAA COc1ccn2c(-c3cccc(CN4CCN(C(C)=O)CC4)c3)cnc2c1 2325870739 MTPQRPLEJIDPEW-UHFFFAOYSA-N 364.449 2.674 0 50 FFAA Cn1nc(CNCc2cccc(-c3cncnc3)c2)c2ccccc2c1=O 2325878147 GKRQABXJNAHFOY-UHFFFAOYSA-N 357.417 2.680 0 50 FFAA CCc1ccc(N2C[C@H](C(=O)NCCc3ccc(OC)cc3)CC2=O)cc1 871663 MVZGRTCFZYUWMB-GOSISDBHSA-N 366.461 2.969 0 50 FFAA CCc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(C)(=O)=O 1099371 PEPNKMYHTCKLFU-UHFFFAOYSA-N 360.479 2.640 0 50 FFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(Cl)(Cl)Cl)c1 1217487 HSZVUJORSGYUKY-UHFFFAOYSA-N 354.573 2.569 0 50 FFAA Cc1ccc(OCC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)cc1C 2356151890 FKILKGIIPDXEMG-OAQYLSRUSA-N 356.466 2.828 0 50 FFAA COc1cc2c(cc1OC)C1(CCN(C[C@@H]3CCCOC3)CC1)OCC2 2356159339 WODQFIKHSPUMJR-INIZCTEOSA-N 361.482 2.994 0 50 FFAA O=C(CC[C@H]1CCCO1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 115157247 AJKFXYNXZIPOTR-WOJBJXKFSA-N 360.498 2.507 0 50 FFAA COc1cc(-c2nc(CN3CCC[C@@H](CN)C3)c(C)o2)cc2c1OCO2 67561307 CIKXHDFICBMGDI-ZDUSSCGKSA-N 359.426 2.558 0 50 FFAA CCc1ccc(C(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 67621087 FDJQSVYIHFOUHQ-UHFFFAOYSA-N 364.453 2.683 0 50 FFAA CCOC(=O)CCNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 13328365 LTJRBIGULUUFNQ-UHFFFAOYSA-N 374.268 2.778 0 50 FFAA O=C(Nc1nc(-c2ccncc2)cs1)c1cnc2sccn2c1=O 61717809 LYZBWKQPEWDSKP-UHFFFAOYSA-N 355.404 2.527 0 50 FFAA CC(C)(C)c1ccc(C(=O)N2CCn3nc(C(=O)NC4CC4)cc3C2)cc1 65454356 LLJLBRMAMZOKOL-UHFFFAOYSA-N 366.465 2.729 0 50 FFAA CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 230219369 NSPGMTOIQNDSOV-IJLUTSLNSA-N 366.512 2.930 0 50 FFAA Cc1ccc(CC(=O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)cc1 328655014 XYFAXUJELIYWIP-SFHVURJKSA-N 356.470 2.742 0 50 FFAA Cc1cc2ccccc2nc1N1CCN(Cc2cnn3cccnc23)CC1 65502397 WODVGZNEIMYLDJ-UHFFFAOYSA-N 358.449 2.908 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c(F)c1 20997984 AAMWWQQKVPJVEL-SFHVURJKSA-N 374.456 2.609 0 50 FFAA O=C(c1cnc2ccccc2n1)N1CCc2nc[nH]c2[C@@H]1c1ccccn1 20854506 NTFBQMOTPWOTFR-IBGZPJMESA-N 356.389 2.536 0 50 FFAA Cn1ncc(Br)c1C(=O)Nc1ccc(Br)cn1 997743 PJUMNUDFSPJIPK-UHFFFAOYSA-N 360.009 2.592 0 50 FFAA CC(C)[C@@H](C)N(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 252499883 SIASJIXKCGZTMH-MRXNPFEDSA-N 367.534 2.965 0 50 FFAA Cc1onc(-c2cccnc2)c1C(=O)N[C@H]1CCCc2nc(O)ccc21 285296470 CXCNGYMEAIWXIO-HNNXBMFYSA-N 350.378 2.953 0 50 FFAA COCc1cc(N2CCC[C@H](C(=O)c3ccccc3)C2)n2nccc2n1 72427268 KSXUCBIRGSBTDH-INIZCTEOSA-N 350.422 2.975 0 50 FFAA C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(C(F)(F)F)c1 237539029 MACDDXVAEUBKRQ-BXUZGUMPSA-N 359.344 2.901 0 50 FFAA CC(C)c1cncnc1N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 71765054 KCVNMUWQLSNMNY-MRXNPFEDSA-N 371.529 2.559 0 50 FFAA CCc1cc(N2CCC([C@H](C)N3CCOCC3)CC2)n2nc(C)c(C)c2n1 72425625 SROAJYAOLHIUSG-KRWDZBQOSA-N 371.529 2.846 0 50 FFAA O[C@@H](CN1CCc2c(nnn2-c2ccccc2)C1)c1cc(F)ccc1F 366615341 FVFVFFSHZOTXFU-IBGZPJMESA-N 356.376 2.637 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)cc3cccnc23)cc1 132786468 UCQDXWWSDDINCT-UHFFFAOYSA-N 355.419 2.704 0 50 FFAA CC(C)c1ncncc1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 363238739 IZTMNVCDBAOQSD-UHFFFAOYSA-N 366.465 2.882 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)no1 219070498 NPMODBLUDJFJCX-IBGZPJMESA-N 368.481 2.824 0 50 FFAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc(F)cc2C)CC1 77406090 OHIZIAYHUFLZRB-UHFFFAOYSA-N 373.476 2.827 0 50 FFAA CC(C)(C)CN1CC[C@@H](C2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 72131864 BRRXBMOAVZEUGI-QGZVFWFLSA-N 369.513 2.950 0 50 FFAA Cc1nc([C@H]2CCCN(Cc3ccccc3Cn3cccn3)C2)cc(=O)[nH]1 72143704 HFAPBXIDSYPGCM-IBGZPJMESA-N 363.465 2.703 0 50 FFAA C/C=C/CN1CCCn2nc(CN3CCC[C@H](Cn4ccnc4)C3)cc2C1 72463852 WHVVAHVHIQNPBU-PHXNAMCJSA-N 368.529 2.774 0 50 FFAA O=C(Cc1ccc2c(c1)OCO2)NCCCc1nc2cc(F)ccc2[nH]1 223358951 PBIMOTWLWKGRMV-UHFFFAOYSA-N 355.369 2.722 0 50 FFAA O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1N1CCOCC1 195347477 KRLJLNKCKIVMDK-IBGZPJMESA-N 369.465 2.683 0 50 FFAA Cc1cc(N2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)cc(C)n1 221266117 GIJOTNHOYVDYTM-FQEVSTJZSA-N 351.450 2.741 0 50 FFAA COc1cccc(-c2noc([C@@H](C)NC(=O)N3CCCC[C@H]3CCO)n2)c1 180675286 DZHZTOVGABZCMK-HIFRSBDPSA-N 374.441 2.753 0 50 FFAA NCCOc1cccc(CC(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)c1 426420315 OLSNGVMQIYEFIP-MRXNPFEDSA-N 372.490 2.750 0 50 FFAA Cc1ccccc1[C@@H](N)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 294918736 CLUUZQMGPSYLDU-DOTOQJQBSA-N 357.841 2.570 0 50 FFAA CC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1 95380814 MBIHUWKUKYBIAZ-QGZVFWFLSA-N 367.453 2.802 0 50 FFAA CC(C)[C@H](C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1 91270630 YVKVEGSUQZXISJ-FQEVSTJZSA-N 372.509 2.650 0 50 FFAA CC(C)Oc1cc(N2CCC(c3nccn3CC3CC3)CC2)nc(N)n1 95517563 VMYDVKYNOXIVBC-UHFFFAOYSA-N 356.474 2.837 0 50 FFAA O=C(NCc1csc(N2CCCC2)n1)c1cccc(Cn2cccn2)c1 91986714 QJSKQDHICHKBQB-UHFFFAOYSA-N 367.478 2.918 0 50 FFAA COc1cccc([C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]2C(=O)O)c1 91474989 UVFDSJFBBBUBDQ-JKSUJKDBSA-N 361.344 2.914 0 50 FFAA C[C@@H](Cn1cccn1)C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91678418 BTSYYGBTKJRXSQ-KRWDZBQOSA-N 372.513 2.693 0 50 FFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@H](OCc2cccnc2)C1 91643641 NKKJIJFJLPYZRT-INIZCTEOSA-N 363.421 2.688 0 50 FFAA CCOC(=O)c1nc(NC(=O)N(C)CC(F)(F)F)sc1C(C)=O 297265014 YGXVOVUJMUUYMU-UHFFFAOYSA-N 353.322 2.548 0 50 FFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NC[C@H](CO)Cc1ccsc1 230251544 JEFPGDXZXRXLJW-PQLJQCGPSA-N 363.523 2.737 0 50 FFAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2oc(-c3cccc(F)c3)nc2c1 95521109 JIHKNAYJFGTJCR-CQSZACIVSA-N 372.377 2.674 0 50 FFAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCN1CCOCC1 91444916 TYOBLVGHVCMNPB-UHFFFAOYSA-N 364.489 2.927 0 50 FFAA Nc1nc(CNC(=O)C[C@@H](c2ccccc2)c2cccc(Cl)c2)n[nH]1 95504683 LKZDPIWAYLUDHK-HNNXBMFYSA-N 355.829 2.879 0 50 FFAA C[C@@H](C(=O)N(C)Cc1cnc2ccccc2n1)n1c(=O)oc2ccccc21 240499980 NPYQEPBDSQVFGN-ZDUSSCGKSA-N 362.389 2.757 0 50 FFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244795461 RGUXPBZFKXNMRX-UWWQBHOKSA-N 366.421 2.626 0 50 FFAA COc1ccc(CNC(=O)CCN2CC[C@](O)(c3ccccc3C)C2)cc1 252495448 OQMGWQVCLAVAMW-JOCHJYFZSA-N 368.477 2.603 0 50 FFAA Cc1cc(C)c(C(=O)Nc2ccc3c(c2)ncn3CCN(C)C)c(O)n1 253623992 YGFYZSVPJQHAKD-UHFFFAOYSA-N 353.426 2.568 0 50 FFAA O=C(C1CCC1)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 1940195598 QLLHHROEVMJLRO-UHFFFAOYSA-N 364.449 2.851 0 50 FFAA O=C(NCc1noc(-c2cccs2)n1)c1cc(-c2ccccn2)[nH]n1 828211507 KWERFYUZZVQCEL-UHFFFAOYSA-N 352.379 2.513 0 50 FFAA Cc1nnc(SCC(=O)NC2CCN(Cc3cccs3)CC2)s1 828014958 QXLQWZXHJXXVOR-UHFFFAOYSA-N 368.553 2.781 0 50 FFAA Cc1ccc(-c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)o1 828161238 RCIFPKJHMQCBPK-UHFFFAOYSA-N 370.430 2.832 0 50 FFAA Cc1nccn1C[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 670473693 HPBVFWAIHMZQJH-MRXNPFEDSA-N 351.447 2.573 0 50 FFAA O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875306722 MMCNZHDYIKJWRV-MIGQKNRLSA-N 371.399 2.930 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N=c2cc(C)n([C@H](C)C3CC3)[nH]2)cc1 1875373801 OXIACJSFUFFIHX-CQSZACIVSA-N 352.438 2.986 0 50 FFAA Cc1ccccc1CC[C@H](C(=O)N[C@@H](C)[C@@H](O)C(=O)O)c1ccccc1 1875311157 ORTQPRQKVTXEOV-ZYSHUDEJSA-N 355.434 2.662 0 50 FFAA O=C(c1ccccc1)c1c[nH]c(C(=O)NCc2nc(-c3ccco3)n[nH]2)c1 1875322817 JNPSJOMHSGZGBD-UHFFFAOYSA-N 361.361 2.554 0 50 FFAA CN[C@H](C)CNC(=O)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1 1875390348 YENPALNNBVYNAF-CQSZACIVSA-N 363.465 2.695 0 50 FFAA Cn1c(NC(=O)[C@H]2CC(=O)Nc3ncccc32)nc2c(Cl)cccc21 1875349360 UWCSXQQJUBIYGO-JTQLQIEISA-N 355.785 2.686 0 50 FFAA COCCN(CCOc1ccccc1F)C(=O)c1c(Cl)c(C)nn1C 952984238 JEEYCTQWAOAHHH-UHFFFAOYSA-N 369.824 2.689 0 50 FFAA Cn1cc([C@H]2OCC[C@@H]2CNCc2ccc(-n3ccnc3)c(F)c2)cn1 886079095 IBTLVDBGTRXNDU-BEFAXECRSA-N 355.417 2.612 0 50 FFAA CC(=O)N1C[C@@H](Nc2nc(O)c3ccccc3n2)CC[C@H]1C(F)(F)F 886038306 WCELGSKXQIWNCU-GWCFXTLKSA-N 354.332 2.689 0 50 FFAA CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1cc[nH]n1)CC2 275740350 QCRJMIUQHOHEJY-INIZCTEOSA-N 358.467 2.515 0 50 FFAA CCOc1ccc([C@H](C(=O)O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 87489409 YFNIXSDTFXXPLJ-MRXNPFEDSA-N 364.442 2.764 0 50 FFAA in-vitro O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccn(C(F)F)n1 1073343839 DSOIQMMSFKGYRN-HIFRSBDPSA-N 374.391 2.655 0 50 FFAA CNS(=O)(=O)c1cccc([C@H](C)NCc2nc(-c3ccccc3)c[nH]2)c1 170085161 WCGBSFDKPVCLJB-AWEZNQCLSA-N 370.478 2.836 0 50 FFAA CC(C)[C@H](NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 170608110 JOHYIASZIYYXRV-FQEVSTJZSA-N 365.477 2.849 0 50 FFAA Cn1ccnc1Sc1ccc(NC(=O)C(=O)N2CCC(C)(C)C2)cc1 170645542 RNKMJVVWQUMZFE-UHFFFAOYSA-N 358.467 2.768 0 50 FFAA Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H](CN)c3ccccc3)c2)n1 170677411 UWPKSBCATUCAQO-NRFANRHFSA-N 362.477 2.907 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1cn(-c3ccc(F)cc3)nn1)C[C@@H](C)O2 172713944 YEDWOIGNJQMMNZ-GFCCVEGCSA-N 368.368 2.843 0 50 FFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CNC(=O)C(C)(C)C)CC1 172866036 YLFJCEQTXRFQOX-CQSZACIVSA-N 365.905 2.708 0 50 FFAA COCCN(C)c1ccc(CN2C[C@H](C)Oc3ccc(OC)cc32)cn1 191511988 OEKRKOXSGDTBCM-HNNXBMFYSA-N 357.454 2.960 0 50 FFAA O[C@@H]1CN(Cc2cc(CN3CCCC3)cs2)C[C@H]1Cc1ccccn1 1529189513 PSLRHHWBHLPYLC-YLJYHZDGSA-N 357.523 2.774 0 50 FFAA CC(C)NC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 11844451 PJJIHOMXHXCUKV-IBGZPJMESA-N 365.424 2.897 0 50 FFAA O=C1CC[C@@H](CCNCc2cc3c(cc2Cl)OCO3)N1CC1CC1 12331454 BBBAHAUVMPWDTD-AWEZNQCLSA-N 350.846 2.949 0 50 FFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 12431490 OFJDBCVDKWZEBX-ZNNBYXKUSA-N 364.401 2.945 0 50 FFAA CC[C@@H](C)c1c(O)nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c1=O 16662323 MFKZMGCCXBXAMI-SNVBAGLBSA-N 363.439 2.728 0 50 FFAA CC(=O)N1CCC(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)CC1 1857715262 JILRZSWUHUQUSF-UXHICEINSA-N 358.482 2.870 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ccc(Cl)cn3)C[C@]23CC[C@H]1O3)C1CCC1 1857716942 JJCWKXMYIRXZFI-WFXMFSGNSA-N 361.873 2.635 0 50 FFAA Cn1ccnc1CN1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857724468 GGUWWTRHXWUSAZ-FQEVSTJZSA-N 355.486 2.693 0 50 FFAA O=C1C[C@H]2N(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC[C@]23OCCCN13 1857731485 RTTYOPOBCDORNF-UZLBHIALSA-N 374.868 2.712 0 50 FFAA Cc1cccc(N2C[C@@H]3[C@H](CNC(=O)c4ccsc4)[C@H]4CC[C@]3(C2)O4)n1 1875248904 XAAHEFMQJRHJJR-TVKQPGBESA-N 369.490 2.865 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)Cn3cc4ccccc4n3)C[C@@H]2N(C)C)cc1 219566490 OYQKVJCNJIWUJU-CTNGQTDRSA-N 362.477 2.901 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2CCN(c3nccs3)CC2)cn1 328629798 IRBSILDYRJZJJS-WBVHZDCISA-N 374.514 2.778 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cc(C)nc3ccc(F)cc23)C[C@H]1O 1704307356 XUZLCXMFNOSNRY-XLIONFOSSA-N 374.412 2.760 0 50 FFAA COc1cc(CNC(=O)[C@H]2[C@H]3C(=O)CC[C@H]32)ccc1OCc1cccnc1 906094188 DLTJHYOLNBDIDV-CDHQVMDDSA-N 366.417 2.511 0 50 FFAA O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1 4594224 NKMYQMPYCFGIQT-UHFFFAOYSA-N 369.328 2.939 0 50 FFAA CC[C@H](C)n1cnc(S(=O)(=O)Nc2ccc(N(CC)CC)nc2)c1 2325739481 PPWWQBHVNNHMBV-ZDUSSCGKSA-N 351.476 2.896 0 50 FFAA C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1)[C@@H](C)C(=O)O 2325770613 LLIYLQQVZONBRO-WDEREUQCSA-N 352.818 2.871 0 50 FFAA O=S(=O)(N[C@@H]1C[C@@H]2c3ccccc3CC[C@@H]21)c1c[nH]nc1C(F)(F)F 2325794558 HMFYZIZLFPBMCL-YNEHKIRRSA-N 371.384 2.825 0 50 FFAA O=C(N[C@H](CO)[C@H](O)c1ccc(Cl)cc1)c1ccc2ccncc2c1 2325868962 SELWIQHILGJYMI-QZTJIDSGSA-N 356.809 2.713 0 50 FFAA CN(C)c1ccc(CCN=c2nc(N3Cc4ccccc4C3)cc[nH]2)cn1 2325874112 BGOCGMNJNWGJIE-UHFFFAOYSA-N 360.465 2.534 0 50 FFAA Cc1ccnc2ccc(-c3ccc(S(=O)(=O)NCC(=O)O)s3)cc12 2325875291 MHWZIAUVZCBKSH-UHFFFAOYSA-N 362.432 2.635 0 50 FFAA C=CC(=O)Nc1cccc(CC(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1 2325894322 WKKASFURUZESSW-QGZVFWFLSA-N 363.417 2.596 0 50 FFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2n1C 629451 PBZWFYJTJIIGMN-UHFFFAOYSA-N 354.406 2.759 0 50 FFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 810405 REPRYPURDWYOEL-ZDUSSCGKSA-N 355.369 2.776 0 50 FFAA CC1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)CC1 1116862 OMWPZBYGRKTART-UHFFFAOYSA-N 350.484 2.780 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)Cc2cc(F)ccc2F)C1=O 2356132752 QPUBGTFIXRBVAE-LJQANCHMSA-N 350.409 2.899 0 50 FFAA O=C(CCC(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1)Nc1cccc(F)c1 2356140313 DNIGCDBDEYOWIY-RBUKOAKNSA-N 370.424 2.921 0 50 FFAA COC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 2746944 VIKZNAHTYAIAPS-UHFFFAOYSA-N 358.379 2.609 0 50 FFAA CCOC(=O)c1sc(NC(=S)NC(=O)c2cccs2)nc1C 2817836 NUUZSMNYSNPXDO-UHFFFAOYSA-N 355.466 2.817 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 6700824 IUEHFRBSHWMOBQ-CQSZACIVSA-N 358.438 2.983 0 50 FFAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1cc(-c2cnn(C)c2C)[nH]n1 55392931 WRCITSYDLMUNGI-ZDUSSCGKSA-N 352.442 2.955 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3ccc4cccnc4n3)[C@@H](C)C2=O)c1 55343298 ARSNCWNOEVHYRQ-INIZCTEOSA-N 374.444 2.811 0 50 FFAA CCOC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)cc1 10682092 JOIAYXLWXGTLHM-UHFFFAOYSA-N 368.389 2.536 0 50 FFAA C[C@H]1CN(C(=O)c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)C[C@@H](C)O1 229665025 RVJMRCLEQTYUIO-IXDOHACOSA-N 356.466 2.909 0 50 FFAA CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)C2CC2)c1)c1ncnn1CC 65465678 IKCRSGGPWCINJW-OAHLLOKOSA-N 355.442 2.836 0 50 FFAA CCN(CC)Cc1cnc2c(C(=O)N(C)[C@@H](C)c3ccncc3)cnn2c1 67786784 TVVNIFOWSJHKOD-HNNXBMFYSA-N 366.469 2.799 0 50 FFAA CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 65364222 WMFJOHVXLFFGPM-SFHVURJKSA-N 366.527 2.530 0 50 FFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1n[nH]c2c1CCC2 71415605 GUQVXTCAWRBWMP-UHFFFAOYSA-N 353.401 2.770 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](C3CCN(c4ncccn4)CC3)C2)c(O)c1 72166855 UOQYUZVQVLINQX-KRWDZBQOSA-N 366.465 2.869 0 50 FFAA Cc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)n1Cc1cccs1 237700119 CWMLLNUNCWIPRI-AWEZNQCLSA-N 362.451 2.530 0 50 FFAA CCCCN1C(=O)CC[C@H]2CN(C(=O)COCc3ccccc3)CC[C@H]21 72409033 DUZLYJVABXZXIG-RBUKOAKNSA-N 358.482 2.843 0 50 FFAA COc1nc2c(cc1CN1CCC(c3ccn[nH]3)CC1)C(=O)N(C(C)C)C2 215152024 FYODLJMFWKUEOP-UHFFFAOYSA-N 369.469 2.557 0 50 FFAA CS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2cccc3ccccc23)C1 72446808 UCQVNAGMGYIDHM-SFHVURJKSA-N 374.506 2.560 0 50 FFAA CC(C)CCN1CC2(CCN(C(=O)Cc3ccc(O)cc3)CC2)OC1=O 77564012 GJUHMSSFKHFRRV-UHFFFAOYSA-N 360.454 2.794 0 50 FFAA c1ccc(Cc2noc(CCNc3cc(C4CCNCC4)ncn3)n2)cc1 39394073 YNJYZOLWMIEXHV-UHFFFAOYSA-N 364.453 2.572 0 50 FFAA CCn1c(CC2CCN(Cc3ccc([C@@H](C)N(C)C)cc3)CC2)n[nH]c1=O 71661888 HFVVDVKONGZNPN-MRXNPFEDSA-N 371.529 2.669 0 50 FFAA Cc1cc2c(cc1-c1nccn1CCn1ncc3ccccc3c1=O)OCO2 77321704 WZAUOXJISDRCFP-UHFFFAOYSA-N 374.400 2.997 0 50 FFAA O=C(CCn1ccnc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72430390 CKEHZERXCVXNNJ-UHFFFAOYSA-N 367.371 2.802 0 50 FFAA CCCCN(C)C[C@@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 253419695 RBUQBLBQZFDFNF-HXUWFJFHSA-N 374.573 2.825 0 50 FFAA Cn1nccc1C1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 124641886 UAGKEMJSWBQFDX-UHFFFAOYSA-N 371.466 2.870 0 50 FFAA COc1cccc(SCC(=O)NCc2ccc(-n3cncn3)cc2)c1 79180549 IEYQKOUMGKNYLK-UHFFFAOYSA-N 354.435 2.684 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC(c4nc[nH]n4)CC3)cc2)n1 77425052 FGXMILZDABXWAO-UHFFFAOYSA-N 350.426 2.627 0 50 FFAA O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H](F)C[C@@H]1CO 364629033 JSHBGRLHNHYYAX-VHSXEESVSA-N 355.316 2.773 0 50 FFAA CN(C)CCCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O 215443122 TWFYETLZRGJVQQ-HXUWFJFHSA-N 362.514 2.523 0 50 FFAA O=C(C[C@@H](O)c1ccccc1)N1CCCN(Cc2ccccc2F)CC1 367550269 QWMGVYJYFKUBPS-HXUWFJFHSA-N 356.441 2.984 0 50 FFAA NCCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72417758 MRKFOBPGVFXNDG-JOCHJYFZSA-N 371.525 2.937 0 50 FFAA O=C(c1cccc(OC(F)(F)F)c1)N1CCCN(C(=O)C2CC2)CC1 158223919 FYPMOJGUKDBBOD-UHFFFAOYSA-N 356.344 2.670 0 50 FFAA O=C(NCc1c(F)cccc1N1CCCC1)N1CCC[C@@H](n2cncn2)C1 287888968 GTBAZOVTRKSTER-OAHLLOKOSA-N 372.448 2.564 0 50 FFAA Cc1cc(NC(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)no1 289281043 SNVNWHMPBSBGTL-JTQLQIEISA-N 361.383 2.700 0 50 FFAA O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 41128097 KQKYGRDZQXVQHU-ICSRJNTNSA-N 364.445 2.549 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCN(c2ccccc2F)C1 82097097 AFHJQHCECFMUJW-MRXNPFEDSA-N 358.461 2.751 0 50 FFAA COc1ccccc1CCC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 223338620 WIMMIWAWKAJWHA-OTWHNJEPSA-N 354.450 2.521 0 50 FFAA CC(C)c1cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)n(C)n1 82138303 JNPWEBFJKYEMIN-UHFFFAOYSA-N 361.877 2.550 0 50 FFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2ccc3nc(C)oc3c2)n1 292552220 DQFXWHAXFBBFAW-AWEZNQCLSA-N 355.398 2.768 0 50 FFAA CSc1ncc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)cn1 82136885 PXRIUHJOKMBBEX-AWEZNQCLSA-N 357.483 2.825 0 50 FFAA CC[C@H](C(=O)NCCn1cc(C)cn1)n1nc(C(F)(F)F)c2c1CCC2 20607699 PNACHEOTAUUWQW-CYBMUJFWSA-N 369.391 2.663 0 50 FFAA O=C1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)c2cc(F)ccc2N1 92080783 JQBDMACVGOXZPP-MRXNPFEDSA-N 364.380 2.754 0 50 FFAA CC(=O)c1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccc4c(c3)OCO4)C2)cs1 91444506 AADGCWHYAARZPI-LSDHHAIUSA-N 373.430 2.980 0 50 FFAA Cc1cc(OC[C@@H](O)CNC(=O)CCc2c(C)noc2C)ccc1Cl 97551230 BNOWAMQTIXBFOF-AWEZNQCLSA-N 366.845 2.742 0 50 FFAA CC[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc(C)c(C)s1 91691683 CXIFMKDDBHCNKT-HNNXBMFYSA-N 356.451 2.737 0 50 FFAA COc1ccnc(-c2cccc(C(=O)NCC[C@@H](C)n3ccnc3)c2)n1 426475606 YGADDVPPLOWHJG-CQSZACIVSA-N 351.410 2.730 0 50 FFAA Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)[nH]1 331795389 PEPGBGAUGOCZCY-CQSZACIVSA-N 350.825 2.905 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)NCCC2CCN(C(C)C)CC2)no1 426387865 MKHXXAUUDRWNMC-UHFFFAOYSA-N 365.522 2.887 0 50 FFAA CCn1ccc2cc(CN3CCN(C)[C@@]4(CCC(=O)N(C)CC4)C3)ccc21 230167788 GQDQZHOHLHDVLS-JOCHJYFZSA-N 368.525 2.790 0 50 FFAA CC[C@@H](NC(=O)N1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1F 267628980 PZQTUYQMGONQBV-SJORKVTESA-N 364.396 2.933 0 50 FFAA CCCCOc1ccc(CN2CCN(c3ccnc4nncn34)CC2)cc1 97137887 FNOYTMMZRFUXJU-UHFFFAOYSA-N 366.469 2.625 0 50 FFAA O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1nc(-c3ccco3)no1)C2 91626349 CFUPMABIJHMSIJ-IBGZPJMESA-N 356.426 2.554 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(Cc3nc(C)nn3C)CC2)c1 95512970 HQOQKMHPLBUTCL-UHFFFAOYSA-N 371.485 2.763 0 50 FFAA CCn1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)nc2cc(C)ccc21 182502509 KJGQOJRBLYMONZ-NSHDSACASA-N 368.359 2.714 0 50 FFAA CC(C)(C)[C@@H](NC(=O)c1cn(CCCCC(=O)O)c2ccccc12)C(N)=O 96024629 YFFKBKQHLMKTJY-KRWDZBQOSA-N 373.453 2.526 0 50 FFAA in-vitro Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95367501 JQGITVBJIDKLRA-LBPRGKRZSA-N 374.495 2.568 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 95521106 DEAXUDUGBSPOBD-SFHVURJKSA-N 370.497 2.544 0 50 FFAA O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCNCC1 236734589 IFPQDBZMVHEPRC-UHFFFAOYSA-N 365.227 2.667 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)cs1 91574792 PHQNVTKOMPFOHL-IBGZPJMESA-N 362.495 2.743 0 50 FFAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)C(=O)c1ccco1 240662460 PLHYRHPGUWPGFR-QIIPPGSGSA-N 350.374 2.639 0 50 FFAA COc1cncc([C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]2C[C@H](O)C2)c1 244763892 OXDYNDOXCQWPTB-RFUYNDQBSA-N 351.406 2.814 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cnc(C(C)C)nc1O 253537268 IMKNXCLJJGANOR-OAHLLOKOSA-N 357.458 2.896 0 50 FFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(OC)c2)N1 34857851 NUBFFNNCFFBKKI-LPHOPBHVSA-N 366.417 2.962 0 50 FFAA biogenic COc1c(C)cnc(CN(C)C(=O)[C@H](c2cccnc2)N2CCCC2)c1C 299784853 PQZMZAVNYBKTRT-IBGZPJMESA-N 368.481 2.898 0 50 FFAA C[C@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1nncn1C1CCCC1 299758636 LLKGVRVXUWWMJZ-LBPRGKRZSA-N 366.425 2.980 0 50 FFAA O=C(Nc1ccnn1CC1CC1)N1CCC[C@H](OCc2cccnc2)C1 299795226 JYFDEWFLQVJADH-KRWDZBQOSA-N 355.442 2.901 0 50 FFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 822718127 JUGQQIYUFOJEKY-QGZVFWFLSA-N 360.502 2.698 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc2c(c1)CNCCC2 1875292851 VBDCCAQBIBKHDA-UHFFFAOYSA-N 352.394 2.937 0 50 FFAA C[C@@H](N=c1[nH]c(Cl)nc2c1COCC2)c1cccc(-n2ccnc2)c1 1875295378 WEGYUVNOYZIJKT-GFCCVEGCSA-N 355.829 2.983 0 50 FFAA C[C@H]1CCCCCCN1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1875360827 JUBAZIJSCPWBGH-XOBRGWDASA-N 372.469 2.605 0 50 FFAA C=CC(=O)N[C@H]1C[C@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875385742 AJCIWUICJBBYOP-IUCAKERBSA-N 359.373 2.505 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CCc2ccc(Br)cc2[C@@H]1C 1875381319 QMJZJBVAPSFWDD-NSHDSACASA-N 351.244 2.539 0 50 FFAA Cc1cc(C(=O)NC[C@H]2[C@H]3CCC[C@H]2N(C(=O)[C@H]2CC2(C)C)C3)ccn1 1875404943 DUNBIYWSRMDQKA-WNRNVDISSA-N 355.482 2.793 0 50 FFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 952969689 CHVSKWQIRWRMBH-CYBMUJFWSA-N 372.446 2.858 0 50 FFAA CC1(C)CN(CCNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCO1 171179482 ZLXYTGDYGWHWMZ-MRXNPFEDSA-N 351.878 2.737 0 50 FFAA C[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2N(C)C1=O 1506418810 JMXPTLMAPXHUHB-LLVKDONJSA-N 350.378 2.569 0 50 FFAA CN1C[C@@H]2C[C@H](N(C)C(=O)Cc3c(F)cccc3Cl)C[C@@H]2CC1=O 1529093986 FDKNVAXPTWUQLV-FRRDWIJNSA-N 352.837 2.737 0 50 FFAA Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)c(N2CCCC2)nn1C 1529112847 ROYXTZASNQTQBN-UHFFFAOYSA-N 367.453 2.708 0 50 FFAA COCc1cc(CN2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)ccc1OC 1704352284 AVTQGKHEJZWJDK-UZLBHIALSA-N 360.454 2.828 0 50 FFAA COc1cccc([C@H]2CN(CCCc3cccnc3)C[C@@H]2C(=O)O)c1OC 220102949 IUYOUVBDYLEALR-MSOLQXFVSA-N 370.449 2.832 0 50 FFAA CN(C)c1ccc(NC(=O)CCCn2cnc3ccccc3c2=O)cc1 5324656 MFBNDMXZYFYAJI-UHFFFAOYSA-N 350.422 2.881 0 50 FFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2ccnn2C)C1 11874034 YXLRYMMSZKUHDJ-FQEVSTJZSA-N 373.428 2.587 0 50 FFAA CSCCNC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 11934254 HXJREULCSIOYDL-UHFFFAOYSA-N 358.467 2.748 0 50 FFAA O=C(COc1ccc(N2CCCC2)nn1)N[C@H]1CCCc2ccccc21 12042817 AQSJDRMFRHLCTB-KRWDZBQOSA-N 352.438 2.649 0 50 FFAA Cn1c(CNC(=O)c2ccc(F)cc2)nnc1SCc1ccccn1 12133549 BMHSDVHYVXFLPT-UHFFFAOYSA-N 357.414 2.572 0 50 FFAA Cc1ccc(CNC(=O)c2cc(COc3ccc4c(c3)OCO4)[nH]n2)o1 12204163 QQWSYGMDWKRLJB-UHFFFAOYSA-N 355.350 2.549 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2cc(COc3ccc(F)cc3F)[nH]n2)C1 12442017 YJTGEFAFKQCPDX-GFCCVEGCSA-N 365.380 2.766 0 50 FFAA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCCCC1 13473135 DTADGWKJEOSJTP-UHFFFAOYSA-N 363.461 2.968 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)o1 19794605 YHEUGWCIMGSSSG-SFHVURJKSA-N 362.445 2.634 0 50 FFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccsc2)CC1 19842816 QDTHUMUDIYZYFH-UHFFFAOYSA-N 356.900 2.908 0 50 FFAA C[C@H]1CN(C(=O)c2ccc3c(c2)CCCO3)CCN1c1ccc(F)cn1 1857673420 SDVOPIVMDZZKPQ-AWEZNQCLSA-N 355.413 2.897 0 50 FFAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1cc(-c3ccco3)nc3c(Cl)cccc13)C2 1857679110 FZCDPRQVJLZUOJ-BONVTDFDSA-N 367.792 2.861 0 50 FFAA C[C@H](c1nc(-c2ccncc2)no1)n1ccnc1-c1cnn2cccnc12 1857695039 QZJTYBXDJIWUIQ-GFCCVEGCSA-N 358.365 2.647 0 50 FFAA CC[C@@]1(C(=O)NCC2=CCCCC2)C[C@@H]2CC[C@H]1N2C(=O)c1ccnn1C 1857701127 PQBPAIKZWLWAPU-YRISNDGFSA-N 370.497 2.810 0 50 FFAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ccc(-c3ccccc3)nn1)C[C@@H]2O 1857736550 MGPVGENCKFVENK-MBWHEUGSSA-N 373.456 2.717 0 50 FFAA Cc1cc(F)cc(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)c1 1857739289 HRTHYNYWNJQWQT-QEUVDIPISA-N 358.457 2.753 0 50 FFAA Cc1cnn(CC(=O)N[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)c1 455906349 RXFDFSYPTXRNRJ-HNNXBMFYSA-N 356.209 2.615 0 50 FFAA Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1CCCN(CC(C)C)C1 163626019 GHCYPQKEXVWZQH-OAHLLOKOSA-N 356.461 2.922 0 50 FFAA CC(C)(C)OC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 390822195 PQYCJMUNEVALQL-LBPRGKRZSA-N 355.232 2.857 0 50 FFAA O=S(=O)(Cc1ccc(Br)cc1)NCC[C@@H]1CCCCO1 180764579 IVTUESQDUUNHHL-AWEZNQCLSA-N 362.289 2.828 0 50 FFAA COc1cc(S(=O)(=O)Nc2cccnc2)c(C)cc1Br 7428391 MFUSCNDVOBQRJF-UHFFFAOYSA-N 357.229 2.962 0 50 FFAA COc1ccc(CNC(=O)N=c2[nH]nc(C3CC3)s2)c(OC(F)F)c1 2325737974 OVHBLYNNOCYIOK-UHFFFAOYSA-N 370.381 2.769 0 50 FFAA O=C(Cc1ccc([S@](=O)C2CC2)cc1)N=c1cc(C2CCCC2)[nH][nH]1 2325755010 QOGRAGXQLICTLN-VWLOTQADSA-N 357.479 2.940 0 50 FFAA Cc1cc(S(=O)(=O)Nc2nn(CCO)cc2C)c(Cl)cc1Cl 2325854139 PLHKZSXKJLORLS-UHFFFAOYSA-N 364.254 2.600 0 50 FFAA CCCCC(=O)N(C)[C@H](C)CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325868928 QNMRSVXJAJRNDX-CSNJMZFVSA-N 351.535 2.793 0 50 FFAA O=C(CCF)N[C@H]1CN(C(=O)c2ccc3cccnc3c2)CC12CCC2 2325871788 ZWXMRASYEFHTCS-KRWDZBQOSA-N 355.413 2.705 0 50 FFAA COC(=O)C1=NN(C(=O)c2ccccc2)[C@](O)(c2ccc(Cl)cc2)C1 854836 WHGMVXVYWKNPPH-GOSISDBHSA-N 358.781 2.560 0 50 FFAA O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680535 QAAZPAXLUOHOPR-UHFFFAOYSA-N 354.428 2.924 0 50 FFAA Cc1ccc(CN2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1 6741077 KVZDBJRDXYZGOE-GHBBCFCZSA-N 370.493 2.776 0 50 FFAA CCN1CCN(c2ncnc3c2cnn3Cc2ccccc2Cl)CC1 6764656 QFKNTWHKZYGRIC-UHFFFAOYSA-N 356.861 2.670 0 50 FFAA O=C(CCC(=O)N1CCOc2ccccc21)NCCCc1ccccc1 6798421 BLFRBHPTLMBFBR-UHFFFAOYSA-N 352.434 2.941 0 50 FFAA CN1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@]12CCNC(=O)CC2 107403395 CSYPODLMNQORGL-HXUWFJFHSA-N 370.522 2.596 0 50 FFAA CCCn1ncc(NC(=O)c2cccc(CN3CCC[C@@H]3COC)c2)n1 65383447 QBMDINNCLIKVQC-QGZVFWFLSA-N 357.458 2.551 0 50 FFAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2cnn(C)c2C(F)(F)F)c1=O 328633503 MCQDOPAEPXMWFH-PWSUYJOCSA-N 373.379 2.524 0 50 FFAA Cc1[nH]nc(O)c1CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67542139 NHQOPRBFSHWTLQ-UHFFFAOYSA-N 374.347 2.748 0 50 FFAA COCc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](CCc3ccccc3)O2)cn1 65408077 DGIHXXRUCFKOKH-AABGKKOBSA-N 369.465 2.981 0 50 FFAA Nc1c(S(=O)(=O)c2ccccc2)cnc2c(-c3cccs3)cnn12 1399450 AOFGOLZJAGQRAV-UHFFFAOYSA-N 356.432 2.873 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1ncc[nH]1 67872548 YBRMMBQAAWBFBH-UHFFFAOYSA-N 362.368 2.931 0 50 FFAA COC(=O)c1ccc(Oc2ccc(C(OC(C)=O)OC(C)=O)cc2N)cc1 2580701 XUWLKUBYKHEUPK-UHFFFAOYSA-N 373.361 2.973 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 72172605 AUOJAYJPMKBBPZ-FQEVSTJZSA-N 360.473 2.818 0 50 FFAA CCNc1ncc(CN2CCC3(CC2)c2ccccc2[C@@H](OC)[C@@H]3O)cn1 72159223 NCNUZAYTTRKMKZ-MOPGFXCFSA-N 368.481 2.504 0 50 FFAA Cc1cc(C)c2ccc(C(=O)N3CCN(CC(C)C)C(=O)[C@H]3C)nc2c1O 77393248 DITFTWGJOVCIQG-OAHLLOKOSA-N 369.465 2.886 0 50 FFAA COc1ccc(CN2CCN(Cc3ccc(C)o3)C[C@H]2CCO)cc1C 39429898 GUSUARIGRGOOOL-LJQANCHMSA-N 358.482 2.974 0 50 FFAA CCCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)C(C)C 72131859 LPVZPEVHONBUSZ-GOSISDBHSA-N 363.477 2.553 0 50 FFAA CC(C)(C)CN1CC[C@H](C2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 72131863 BRRXBMOAVZEUGI-KRWDZBQOSA-N 369.513 2.950 0 50 FFAA Cc1cc(Cl)ccc1OCC(=O)NCCc1noc([C@@H]2CCCO2)n1 215185245 WDDDCXYRXGMFLR-AWEZNQCLSA-N 365.817 2.621 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)[C@@H]3CCCN3CC)CC2)OC1=O 77358741 GAOYSWJVSBAKTB-KRWDZBQOSA-N 365.518 2.720 0 50 FFAA COCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CC[C@H]21 72419858 VLPFEPBEDBHMAD-VQTJNVASSA-N 370.493 2.665 0 50 FFAA C[C@H](NC(=O)CC(C)(C)C)c1nc(Cc2nncn2-c2ccccc2)no1 288983833 CCQJCSPSKPGWSH-ZDUSSCGKSA-N 368.441 2.855 0 50 FFAA CC(C)=CCC/C(C)=C/CN1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 77356519 QNHQBUQUVFWXIZ-UVQNPWMRSA-N 357.498 2.939 0 50 FFAA C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 77486226 RVDFUHGRXTWCKY-ZDUSSCGKSA-N 362.886 2.959 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCN(Cc2ccccc2F)CC1 82156342 CDJYBWIBWWSKKJ-UHFFFAOYSA-N 372.488 2.843 0 50 FFAA CCOC(=O)N1CCC(NC(=O)c2ccc(-c3c[nH]ccc3=N)cc2)CC1 426593709 KSXACNABBBECAP-UHFFFAOYSA-N 368.437 2.512 0 50 FFAA O=C(NCCc1nc(O)cc(O)n1)c1cccc(Oc2ccccc2)c1 223330673 JAWMYJAFMLPXSS-UHFFFAOYSA-N 351.362 2.653 0 50 FFAA CCn1c(C)ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)c1=O 91563098 NKKGFCZWJDUFDL-UHFFFAOYSA-N 357.429 2.668 0 50 FFAA C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1nc(-c2cccnc2)no1 426722406 IGWIWZQLRMZGNP-LBPRGKRZSA-N 367.413 2.505 0 50 FFAA NC(=O)c1cccnc1N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 426651462 YLZSQZLWBGSMLV-OAQYLSRUSA-N 368.456 2.812 0 50 FFAA Cc1nnc2n1[C@@H](C)CN(C(=O)CSc1cn(C)c3ccccc13)C2 96149523 LAHZOTPSBPTNFR-LBPRGKRZSA-N 355.467 2.774 0 50 FFAA Cc1nc(CCC(=O)N2CCCCCC2)n(-c2ccccc2C(=O)O)n1 96151811 NGEQKEBRHGSACE-UHFFFAOYSA-N 356.426 2.609 0 50 FFAA CC(C)c1cccc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)O)C2)n1 95362257 GZJPYRPPZDDYBN-MJGOQNOKSA-N 374.529 2.512 0 50 FFAA CN(C)[C@@H]1CCN(Cc2nc(-c3ccncc3)nn2Cc2ccccc2)C1 96137319 XVWVGDKMVXQTGP-LJQANCHMSA-N 362.481 2.524 0 50 FFAA Cc1ccc(C(=O)N2C[C@@H]3CN(C4CCCC4)C[C@]3(C(=O)O)C2)c(C)c1 97636726 SHPCCQSBABQPFJ-KKSFZXQISA-N 356.466 2.705 0 50 FFAA CN(Cc1ccccc1NC(=O)N[C@H]1CCCNC1=O)C1CCCCC1 95523670 UZXIVHIBBKBRCM-SFHVURJKSA-N 358.486 2.851 0 50 FFAA Cc1ccc2[nH]c(C(=O)NCCc3noc([C@H]4CCCO4)n3)c(C)c2c1 91830864 MXPBWRGHOBDDPK-OAHLLOKOSA-N 354.410 2.992 0 50 FFAA C[C@H](C1CCN(C(=O)c2cccc3c2ccn3C)CC1)N1CCN(C)CC1 95354273 KBUCLNGMTQLFPM-QGZVFWFLSA-N 368.525 2.666 0 50 FFAA COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1OC 93018209 FODNUXIGTGSICE-HNNXBMFYSA-N 368.905 2.901 0 50 FFAA CN(C)CCCn1ccnc1C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 95371075 WPIPPKGPSVSKLJ-NZSAHSFTSA-N 356.514 2.753 0 50 FFAA CN1CCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)C[C@@H]2C1 244678548 IFOUJZKSBIIEQH-FQEVSTJZSA-N 353.441 2.565 0 50 FFAA O=C(O)c1cnn2cc(CN3CC=C(c4ccc(F)cc4)CC3)cnc12 244715979 LGFOJEQTZSIJAC-UHFFFAOYSA-N 352.369 2.856 0 50 FFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 253409043 LIBLOKVUZGFOSR-CMKODMSKSA-N 369.509 2.762 0 50 FFAA biogenic CCCCN1CCn2nc(CNC(=O)[C@@H](C)Oc3ccccc3)cc2C1 299797917 TYDKCVRYARCGPI-MRXNPFEDSA-N 356.470 2.583 0 50 FFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@H](C)Cc1cnccn1 299777701 OQFRXOCXRFCJTL-OAHLLOKOSA-N 367.453 2.774 0 50 FFAA O=C(O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 299766013 ANYLOIRMHMQUFF-FUHWJXTLSA-N 366.889 2.728 0 50 FFAA Cc1nc(C)n(CCCNC(=O)c2cccc(-c3ccncc3F)c2)n1 299767327 JYZVITXQJAYRGD-UHFFFAOYSA-N 353.401 2.916 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 827921355 PNFRZAHPUVXVBY-UHFFFAOYSA-N 365.499 2.563 0 50 FFAA Cc1nnnn1-c1ccc(CC(=O)Nc2cc(Cl)ccc2N(C)C)cc1 828043087 CKVNUNHWZMXMTE-UHFFFAOYSA-N 370.844 2.871 0 50 FFAA 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O=C(CN1CC[C@@H](c2ccccc2)C1)Nc1nccc(-c2ccccn2)n1 2356152288 XFLSUVXTIFTQKU-QGZVFWFLSA-N 359.433 2.967 0 50 FFAA NC(=O)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 4387788 SFBNQHCUSOEWSQ-UHFFFAOYSA-N 352.371 2.934 0 50 FFAA COc1ccc(N2C(=O)/C(=C\N3CCOCC3)c3ccccc3C2=O)cc1 100344605 XBLYYWSXHRPJPB-RGEXLXHISA-N 364.401 2.555 0 50 FFAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2COc3ccccc3O2)c1 55414244 DJNNLBVTSCGATG-ZDUSSCGKSA-N 360.797 2.868 0 50 FFAA O=C1COc2cc(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)ccc2N1 54033839 MKXRXKJVVFNIIA-INIZCTEOSA-N 368.389 2.828 0 50 FFAA CCN(CCOc1ccc(F)cc1)C(=O)c1cccc(NCC(=O)O)c1 55167755 AELICBYRGJLLCV-UHFFFAOYSA-N 360.385 2.863 0 50 FFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)[C@]2(C)CC(C)=NO2)CC3)c1 67542123 VDVJZUTWXOFFDS-IBGZPJMESA-N 354.410 2.525 0 50 FFAA CC(C)C(=O)N1CCC(N2CCN(c3nc4ccccc4o3)CC2)CC1 65525585 NEMCGOUWOIMLLQ-UHFFFAOYSA-N 356.470 2.597 0 50 FFAA COc1ccc(CN(C)C(=O)c2c(C)cc(C)[nH]c2=O)c2cccnc12 65381868 GCSOCVCDSKDTAD-UHFFFAOYSA-N 351.406 2.821 0 50 FFAA 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Cc1n[nH]c(C)c1CC(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 285124104 RZLFUNSSBJXQTG-QGZVFWFLSA-N 357.454 2.654 0 50 FFAA Cc1cccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 72153199 DZKQDZRFRHQKSQ-CEWLAPEOSA-N 363.461 2.798 0 50 FFAA COc1cc2c(N3CC[C@@](O)(c4cn(C(C)C)nn4)C3)ccnc2cc1F 375255294 VEABTORRAPLYJQ-IBGZPJMESA-N 371.416 2.653 0 50 FFAA O=C(O)c1ccc(C[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)cc1 72408597 MSWOEUFHGMDUSV-KRWDZBQOSA-N 359.447 2.779 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)s1 72474186 SIGVCGAVQAKJGP-INIZCTEOSA-N 362.495 2.734 0 50 FFAA COc1ccc(CN2CC[C@@](O)(CN3CCCCC3)C2)c(Cl)c1OC 77322628 YUMRWYOLPKNHME-LJQANCHMSA-N 368.905 2.780 0 50 FFAA Cc1c(O)nc(-c2ccc(CN3CCNCC3)cc2)nc1C(F)(F)F 48284541 AKJLUJSURYTVHF-UHFFFAOYSA-N 352.360 2.582 0 50 FFAA O=C1N[C@@]2(C(=O)Nc3ccc(Cl)cc3)CCC(=O)N2c2ccccc21 40266377 ZUSSRYJUWOSWTE-SFHVURJKSA-N 355.781 2.545 0 50 FFAA Cc1cc(-c2cn3cc(C(=O)N4CCCCC4)nc3c(=O)n2C)c(C)o1 72424090 UCYFLUNLXBVUFD-UHFFFAOYSA-N 354.410 2.536 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCc1nc(C)c3c(n1)CCCC3)CO2 222238121 XKZZKEZKYDXNDK-HNNXBMFYSA-N 367.449 2.540 0 50 FFAA OC1(c2cn(C[C@H]3CCCN(C4Cc5ccccc5C4)C3)nn2)CCCC1 19110721 JDISEOVXRVDQGY-KRWDZBQOSA-N 366.509 2.919 0 50 FFAA Nc1nc(NCC2(N3CCCCC3)CCCCC2)cc(C2CC(N)C2)n1 222527559 HZAHJOXGPPTKLB-UHFFFAOYSA-N 358.534 2.864 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1cc(F)ccc1Cl)CC2 426490195 IUHNJWQUGIBDDT-QANKJYHBSA-N 371.836 2.640 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)[C@@H]2CCc3ccc(OC)cc32)n1 292168157 ZTZJBCARPWFIDS-NVXWUHKLSA-N 370.453 2.743 0 50 FFAA Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCCCC2)n1 426641609 WVBSSPIKLOLCMN-UHFFFAOYSA-N 366.465 2.915 0 50 FFAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ccc2c(c1)CCC2 222538389 LQBJONZTUOBCTE-WOJBJXKFSA-N 352.434 2.674 0 50 FFAA Cc1cc(C(=O)N2CCN(CCn3cccc3)CC2)c2ccc(F)cc2n1 82120496 CDGPKTUOORBBIQ-UHFFFAOYSA-N 366.440 2.942 0 50 FFAA C[C@H](C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1)n1ccnc1 91644543 GITOGROVYFWCED-MRXNPFEDSA-N 358.486 2.618 0 50 FFAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2ccnc(-n3cnnc3)c2)no1 426649556 ICWQHNULBPHLNK-HNNXBMFYSA-N 352.398 2.751 0 50 FFAA Cc1nc2ccccc2nc1CN1CCC(N2CCC[C@@H](C(=O)O)C2)CC1 97217378 LAGIEMQQSQKBNV-MRXNPFEDSA-N 368.481 2.699 0 50 FFAA O=C(NCCc1cccs1)N1CCCO[C@H](CN2CCCCC2)C1 426550345 BQTIDADKWPJQFO-MRXNPFEDSA-N 351.516 2.577 0 50 FFAA CCc1ncc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C(F)(F)F)cn1 95373257 GYXXKNRXWRHMHN-SNVBAGLBSA-N 355.364 2.629 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C(C)=O)s2)C[C@H]1C(=O)O 91943128 CXQFXAGSNPJPTI-UONOGXRCSA-N 373.430 2.900 0 50 FFAA Fc1ccc(-n2nc(C3CC3)nc2-c2cnc(N3CCOCC3)nc2)cc1 96179678 VRVLPJUFMRENKU-UHFFFAOYSA-N 366.400 2.577 0 50 FFAA CN(C)[C@H](C(=O)NCc1nc(Cc2cccs2)no1)c1cccc(F)c1 95385970 FCUHMJWLPMREEC-KRWDZBQOSA-N 374.441 2.780 0 50 FFAA O=C(COc1ccc(Cl)cc1Cl)N1CCC(n2cnnc2)CC1 91625089 LZRFEBWGNQQNMH-UHFFFAOYSA-N 355.225 2.827 0 50 FFAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1n[nH]c(=O)[nH]1 95500425 KEHSGVMDTGBKPN-HNNXBMFYSA-N 356.813 2.590 0 50 FFAA CC(=O)c1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1 91650536 PUZIUEWQGVVZPQ-UHFFFAOYSA-N 371.525 2.655 0 50 FFAA CC(=O)c1cc(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cs1 91725336 CWENELAIKCQHCQ-HXUWFJFHSA-N 374.506 2.744 0 50 FFAA Cc1ccc(C)c(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)O)C2)c1 95372871 JWGRZDCLJYQCPE-XMSQKQJNSA-N 365.429 2.935 0 50 FFAA O=C(Nc1nc2ccccn2n1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 184333492 JXVXARWIFCRGBQ-LLVKDONJSA-N 374.807 2.922 0 50 FFAA O=C(NCc1ccccn1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 263617971 QSDAMHKUMDRXQT-MRXNPFEDSA-N 369.812 2.528 0 50 FFAA CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1CCO 36385580 MWSNPCFFVHDJAF-MRXNPFEDSA-N 351.560 2.937 0 50 FFAA Cc1nc(C)n(CCCNC(=O)Nc2ccnn2[C@@H](C)c2ccccc2)n1 299775277 CXQMYZWKTXCNAL-AWEZNQCLSA-N 367.457 2.913 0 50 FFAA Cc1nc(CC(C)C)cc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)n1 299781145 DYJHQNKAARNJKV-UHFFFAOYSA-N 368.481 2.647 0 50 FFAA Cn1ccnc1-c1ccccc1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 828184167 KBMUXCRFRLQSNI-UHFFFAOYSA-N 361.365 2.645 0 50 FFAA Cc1ccc(OCC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1C 828012952 BOVZVDLYGUDTHR-MRXNPFEDSA-N 356.422 2.696 0 50 FFAA CN1C(=O)CC[C@H](C(=O)N2CCc3cc(O)ccc3C2)[C@@H]1c1ccccc1 1875274512 FKTZJOKUKUAOFG-FPOVZHCZSA-N 364.445 2.887 0 50 FFAA COc1cc(F)cc(F)c1[C@@H]1CN(c2nc3cnccc3n2C)CCO1 1875294390 GVDIPLXUBDPNLE-INIZCTEOSA-N 360.364 2.833 0 50 FFAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1ncnc2c1ccn2C1CC1 1875319232 UMPGRARKRYEGAC-UHFFFAOYSA-N 354.410 2.674 0 50 FFAA Cc1ccccc1CC(=O)N1CCC[C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C1 1875305491 SYBANFNKTHOUBY-QGZVFWFLSA-N 366.465 2.559 0 50 FFAA C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc(O)cc2)[nH]n1 1875319077 PQZLLZXGKOTRSM-LKFCYVNXSA-N 355.316 2.574 0 50 FFAA CC1(C)C[C@@H](C(=O)NC2CC(Nc3ncnc(Cl)c3F)C2)CCO1 1875407231 VPDIJPSEZTZPEZ-WHXUTIOJSA-N 356.829 2.533 0 50 FFAA Cc1c(Cl)ncnc1N1CC[C@@](C)(NC(=O)c2ccc3c(c2)CC3)C1 1875405782 OIPNMFXSQLEBCM-LJQANCHMSA-N 356.857 2.936 0 50 FFAA O=C(N1CCc2cc(C(F)(F)F)cnc21)[C@]1([C@@H]2CCCO2)CCCO1 1875406221 ZQEYKBFXEHEAAR-XJKSGUPXSA-N 356.344 2.718 0 50 FFAA Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccncc1)C[C@H]1CCCO1 952988380 NPQFIGSDCMCPSE-QGZVFWFLSA-N 364.442 2.899 0 50 FFAA c1ccc(Cc2nnc3n2C[C@H](N[C@H]2CCOC4(CCC4)C2)CC3)cc1 888102506 BUAYOYJIOMJYJN-ZWKOTPCHSA-N 352.482 2.875 0 50 FFAA O=C(N[C@H](CO)CN1CCCC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 390832696 FZMCGEICFLFJND-CFVMTHIKSA-N 357.281 2.670 0 50 FFAA COCCn1cc(N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cn1 186212859 MCZXJLAXBYJZMF-HNNXBMFYSA-N 368.359 2.766 0 50 FFAA Cn1cncc1[C@@H]1C[C@@H](NCc2nc3ccc(Cl)cc3n2C)CCO1 275353285 AFCULCOSAZREER-GUYCJALGSA-N 359.861 2.970 0 50 FFAA COc1cc(CCC(=O)N[C@@H](c2ncc[nH]2)C(C)C)cc(OC)c1OC 170607802 ORZPNSSIKPUXOH-QGZVFWFLSA-N 361.442 2.882 0 50 FFAA C[C@H](CCN1C(=O)c2ccccc2C1=O)NC[C@H](O)c1c(F)cccc1F 769519338 ONSDVAZREIJLSY-PXAZEXFGSA-N 374.387 2.663 0 50 FFAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NC[C@@H]2CCCO2)cc1 677120 UTMYTSQWDNKZIG-BOFQVRIASA-N 354.406 2.654 0 50 FFAA aggregator CCC[C@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H]1NC(C)=O 216515164 KELROQBTNYTYKS-WMZOPIPTSA-N 360.479 2.765 0 50 FFAA CCc1cnc(C)nc1N1CCCN(C(=O)COc2ccc(F)cc2)CC1 1775978355 RSURKALRNLOOLI-UHFFFAOYSA-N 372.444 2.604 0 50 FFAA COc1cc(OC)cc(-c2nnc(S)n2-c2ccc3c(c2)OCO3)c1 5894375 BNXKFWYHLVUHFM-UHFFFAOYSA-N 357.391 2.969 0 50 FFAA CN(C)c1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 12307853 VOZBELXDGHOUNT-OAQYLSRUSA-N 355.482 2.617 0 50 FFAA COc1ccc([C@@H](C)NC(=O)CCc2nnc(-c3cc(C)on3)o2)cc1 12387189 OJKNCFCEMNPSTG-GFCCVEGCSA-N 356.382 2.852 0 50 FFAA Cc1cccc(CN2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)c1 14993541 NVCZXMLXFAYWNX-SFHVURJKSA-N 353.470 2.660 0 50 FFAA O=C1CCCN1CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 15069433 NZPNVGGWHVOJHP-AWEZNQCLSA-N 350.409 2.758 0 50 FFAA CCCCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)cs2)c1 16652059 YRHHYSWXFWEVEV-UHFFFAOYSA-N 353.469 2.782 0 50 FFAA CN1CCc2nc3sc(C(=O)c4ccc5c(c4)OCO5)c(N)c3cc2C1 19852681 RJDQGBCLFQGENM-UHFFFAOYSA-N 367.430 2.826 0 50 FFAA O=C(c1cccs1)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 169777440 BFSSVYDLFWXUAZ-UHFFFAOYSA-N 370.438 2.744 0 50 FFAA COc1cccc([C@@H]2CCCN2C(=O)CCc2c(C)nc(=O)[nH]c2C)c1 153973636 KLZWRJQXMKEWAE-SFHVURJKSA-N 355.438 2.692 0 50 FFAA COCCCNC(=O)C[C@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857673634 QDXHFRFQIBEEJM-CQSZACIVSA-N 361.442 2.596 0 50 FFAA CN(C)CCNC(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857699670 YINWJYQNTFNOFB-ZDUSSCGKSA-N 364.877 2.766 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(Cc3cc4ccccc4o3)C[C@]23CC[C@H]1O3)C1CC1 1857716336 HOPHLYKTDQFGLW-XHYAQGIWSA-N 366.461 2.938 0 50 FFAA O=C1C[C@H]2N(Cc3ccc(CC(F)(F)F)cc3)CC[C@]23OCCCN13 1857727422 SAMDLPFJEBOTBT-WBVHZDCISA-N 354.372 2.715 0 50 FFAA C[C@@H](C(=O)NCc1ccsc1Br)n1nnnc1C(C)(C)C 330428535 JWJNDDHPIUSITF-QMMMGPOBSA-N 372.292 2.672 0 50 FFAA Cc1oc(-c2ccccc2F)nc1C(=O)N1CCOC2(CCOCC2)C1 119701270 DGYWSQAZIMPQFV-UHFFFAOYSA-N 360.385 2.811 0 50 FFAA O=C(Nc1ccc(CN2CCOC2=O)cc1)c1c[nH]nc1-c1ccccn1 810175732 DNDOJKITKZLECV-UHFFFAOYSA-N 363.377 2.676 0 50 FFAA O=C(c1ccnc(OC(F)F)c1)N1CC[C@@H](c2ccccc2)S1(=O)=O 835467261 SANPGQXBLWOKLW-ZDUSSCGKSA-N 368.361 2.600 0 50 FFAA Cc1cccc(C)c1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 2904982 VRJIAHIKCHKYEK-MRXNPFEDSA-N 360.479 2.947 0 50 FFAA Cc1cc(Cc2ccc(NC(=O)CC3CC(=O)NC(=O)C3)cc2)cc(C)n1 2325782945 OTROBWDRYBYOEQ-UHFFFAOYSA-N 365.433 2.671 0 50 FFAA Cc1cc(F)cc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 2325842982 ONPAALXIFQZFFM-HNNXBMFYSA-N 358.417 2.625 0 50 FFAA Fc1ccc(-c2nccc(N3CC4(CN(Cc5ccccc5)C4)C3)n2)nc1 2325859530 ADDYDKAWHMIZQB-UHFFFAOYSA-N 361.424 3.000 0 50 FFAA Cc1cc(C)nc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(F)cc2)c1 2325868598 CLIYZPRRHSNPTH-IRXDYDNUSA-N 353.397 2.577 0 50 FFAA O=C(O)[C@H](F)C1CN(C(=O)c2ccc(Br)cc2Cl)C1 910135735 NLKHVAAREVUPJG-SNVBAGLBSA-N 350.571 2.597 0 50 FFAA COC(=O)CCCC(=O)N1CCC[C@@]12CCCN(c1ccc(C)cc1)C2=O 2356150832 BGRBCCOOKHRXJZ-OAQYLSRUSA-N 372.465 2.826 0 50 FFAA CC(C)CC(=O)N1CCCCN[C@@H](c2ccccc2)CC(=O)NCCC1 2356161068 DZAPIHDKRGOILY-LJQANCHMSA-N 359.514 2.882 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2C)c1 6697933 MMKGYBOCBMYCJX-UHFFFAOYSA-N 354.406 2.871 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1nn2cc(C(C)(C)C)nc2s1 328619496 FXAMRXDBHRFLEO-SWLSCSKDSA-N 374.514 3.494 0 50 FFAA N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1OCCCc1ccccc1 55359939 AQUBJSHJGVBOKC-SFHVURJKSA-N 364.449 2.930 0 50 FFAA COCCN(C(=O)c1ccc(NC(=O)C2CCC2)cc1)C1CCN(C)CC1 55152762 YDHBSXIKDDVZHI-UHFFFAOYSA-N 373.497 2.608 0 50 FFAA CCN(CC)C(=O)N1C[C@H]2[C@H](CN(C)Cc3cccnc3Cl)[C@H]2C1 102615699 RXHWRPPBEDXWGW-PHZGNYQRSA-N 350.894 2.806 0 50 FFAA Cc1nc(NCCNC(=O)c2ccccc2C(F)(F)F)cc(N(C)C)n1 65364445 GJWSCUKCSOYDNB-UHFFFAOYSA-N 367.375 2.712 0 50 FFAA O=C1C[C@H](c2cnc(-c3ccco3)nc2)c2cnn(Cc3cccnc3)c2N1 65456173 ZMMNZCCHDJEXGR-OAHLLOKOSA-N 372.388 2.851 0 50 FFAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1csc(-c2cccs2)n1)C(=O)O 67490246 YNZOJERMBWRBMA-LBPRGKRZSA-N 362.436 2.767 0 50 FFAA Cc1noc([C@H](NCc2cnn(Cc3ccccc3)c2)C2CCOCC2)n1 328616392 BOTUNBQDYRUJLD-LJQANCHMSA-N 367.453 2.880 0 50 FFAA COc1ccc2oc(CN[C@@H]3CCCN(c4nccnc4O)C3)cc2c1 328629040 HVJABXBHAQJFIL-CQSZACIVSA-N 354.410 2.696 0 50 FFAA c1ccc(-c2ncn(Cc3nnn[nH]3)c2-c2cccn2-c2cccnc2)cc1 67982878 COJSOLSNDQPISB-UHFFFAOYSA-N 368.404 2.964 0 50 FFAA CC[C@@H](C(=O)N1CCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 67338744 CDYJDONOGOBSJD-ZDUSSCGKSA-N 374.890 2.516 0 50 FFAA O=C(O)[C@@H]1COCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 307122451 LTFXJQSQUFXUSI-AWEZNQCLSA-N 367.401 2.969 0 50 FFAA NC(=O)Cn1ccc(-c2cccc(-c3ccc(C(=O)N4CCCC4)o3)c2)n1 23399692 MHSIRQFUNKMFMX-UHFFFAOYSA-N 364.405 2.531 0 50 FFAA CC(C)c1nccn1Cc1cc(C(=O)NCc2nc3ccccc3o2)n[nH]1 12299809 WDFVFJAGWLAJRF-UHFFFAOYSA-N 364.409 2.849 0 50 FFAA Cn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCCCC3)nc2c1=O 72474947 IYJCYFKHGRBZKJ-UHFFFAOYSA-N 370.840 2.980 0 50 FFAA Cc1cc(C)cc(OCn2ccc(-c3nc4c5cnn(C)c5ncn4n3)n2)c1 2802255 AXCYTXWQXFESAY-UHFFFAOYSA-N 374.408 2.528 0 50 FFAA COc1ccccc1N1C[C@H](C(=O)Nc2nc(C(F)(F)F)co2)CC1=O 653840359 PPKSXPHTNKSUGT-SECBINFHSA-N 369.299 2.694 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)cc1OC 6738392 QZIRWDCEUDABMN-IBGZPJMESA-N 372.396 2.695 0 50 FFAA biogenic CCc1nc(C)c(C(=O)N[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2OC)o1 72412379 ZJSRHANMTVSOOF-MJGOQNOKSA-N 369.465 2.666 0 50 FFAA C[C@@H]1C[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CN1Cc1ccccc1 128126854 DZKPHWPOVVHORP-QAPCUYQASA-N 372.490 2.563 0 50 FFAA Cn1cc([C@@H](NC(=O)N2CCC(N3CCCCC3)CC2)C(F)(F)F)cn1 333507377 DPTYLCVRBXLKFZ-OAHLLOKOSA-N 373.423 2.683 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72129023 RSIAQVCMFUBTNM-NRFANRHFSA-N 358.401 2.756 0 50 FFAA Cc1cccc(OCCN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)c1C 72477872 PMMFJMMCNFRESP-VQTJNVASSA-N 374.525 2.768 0 50 FFAA CN(Cc1ccsc1)c1nc(-c2ccncc2)nc2c1CCNCC2 72410268 PRZCJEXZYGFAKA-UHFFFAOYSA-N 351.479 2.925 0 50 FFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)on1 33270452 YGSDEHDNHHHTGW-CQSZACIVSA-N 366.439 2.780 0 50 FFAA O=C(O)CCc1cccc(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 262453299 DZPSLRGCXHQVPH-UHFFFAOYSA-N 355.394 2.520 0 50 FFAA CCc1nnc(-c2ccc(NC(=O)Nc3cc4n(n3)CCCC4)cc2)o1 376810952 GGWAKITYVFOZGW-UHFFFAOYSA-N 352.398 3.476 0 50 FFAA O=C(c1ccc[nH]1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72158177 NMIRESCPMMVRGA-QXAKKESOSA-N 357.404 2.995 0 50 FFAA Cc1cc(CN2CCN(C(=O)CCc3cn(C)c4ccccc34)CC2)no1 176188473 DPFNDOULYFDXMG-UHFFFAOYSA-N 366.465 2.752 0 50 FFAA Cc1ncsc1CCCNC(=O)Cn1c(C)cc(=O)c2ccccc21 222222754 IPNBUWRHVZGWGU-UHFFFAOYSA-N 355.463 2.824 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 82097563 VJSNVOCSWYLYLS-KRWDZBQOSA-N 366.465 2.515 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426408958 OVMCEAJPNXLIFQ-QYWGDWMGSA-N 366.417 2.898 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)C1(c2ccc(OC)cc2)CCCC1 223109482 JFYOEOMOVBWJAT-MANSERQUSA-N 359.466 2.673 0 50 FFAA CN1C(=O)CCc2cc(C(=O)NCc3ccn(C4CCCC4)n3)ccc21 179386767 SONVJZFKWBCMJI-UHFFFAOYSA-N 352.438 2.837 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(c2nc[nH]n2)CC1 83009297 OSMWBCXNMLUSMK-UHFFFAOYSA-N 364.453 2.556 0 50 FFAA CCSCCC(=O)N1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 82137719 AWAHBPPGOIOPOV-UHFFFAOYSA-N 365.547 2.524 0 50 FFAA CCN(CC)c1ccc(-c2ccc(C(=O)N3CCO[C@@H](CN)C3)cc2)cc1 426596462 IKNWFDFBLDYCBR-NRFANRHFSA-N 367.493 3.000 0 50 FFAA Cc1ccc(C(=O)NCCCc2nc(C)c(C)s2)cc1N1CCNC1=O 91625390 CVWPNQUSRYHGBF-UHFFFAOYSA-N 372.494 2.961 0 50 FFAA CNC(=O)[C@H]1CCCN(c2cc(N)nc(SCc3ccc(C)cc3)n2)C1 95352764 TWQGLVUECJMZIG-HNNXBMFYSA-N 371.510 2.622 0 50 FFAA Cc1cc(N2CCC(NCC3(COc4ccccc4)CC3)CC2)nc(N)n1 95355301 NRXNQUIKVBKWSD-UHFFFAOYSA-N 367.497 2.785 0 50 FFAA CCN1CC2(CCN(C(=O)c3ccon3)CC2)C[C@H](c2ccccc2)C1=O 91943008 JTXRBUJTDGJXMN-QGZVFWFLSA-N 367.449 2.933 0 50 FFAA Cn1c(=O)n(C)c2cc(CNC(=O)c3ccc([C@@H]4CCCO4)s3)ccc21 91745897 XYUMKAMOGTUCBY-HNNXBMFYSA-N 371.462 2.720 0 50 FFAA C[C@H](c1nc(CC(N)=O)nn1C1CCCCC1)N1CCc2ccccc2C1 96166335 PLAGRGJPZNPFHX-OAHLLOKOSA-N 367.497 2.930 0 50 FFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCOc1ccccc1)C2 91350566 HJWOHLXEBHQDTN-ZWKOTPCHSA-N 356.466 2.871 0 50 FFAA CN1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(C2CCSCC2)CC1 97480251 WMXCBHRNOZFCHQ-HXUWFJFHSA-N 373.566 2.519 0 50 FFAA COCc1c(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)sc2cccc(F)c12 183433682 VDVVWKNKSVWUCW-SECBINFHSA-N 363.418 2.576 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@@H]3[C@@H](C)N)cc2)C[C@@H](C)O1 299752641 UVLJRFSFQWEFCQ-WOCWXWTJSA-N 359.514 2.638 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)N(C)CCc3scnc3C)CC2)n1 534658159 UUMLMVQDLOMZMM-UHFFFAOYSA-N 361.515 2.929 0 50 FFAA Cc1nn(C(C)C)cc1-c1cccc(C(=O)NCCc2nnc(N)s2)c1 299767145 FRJXXMIURJOUMI-UHFFFAOYSA-N 370.482 2.846 0 50 FFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(-c3cscn3)cc1)C2 299794260 JTDYVEJVSSUMPD-HIFRSBDPSA-N 356.451 2.895 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)C2(Cn3ccnc3)CC2)n1 299789963 AFKXTYGFVWNRKK-GFCCVEGCSA-N 369.391 2.640 0 50 FFAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)(C)N1CCOCC1 822560164 XZOKXIITZGNLHO-OAHLLOKOSA-N 361.486 2.512 0 50 FFAA C[C@H](C(=O)NCc1noc(C2CC2)n1)N1C(=O)c2cccc3cccc1c23 827654293 HPIFIXYZUNFKNM-LLVKDONJSA-N 362.389 2.765 0 50 FFAA Cc1noc(C)c1CN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 828595600 DNLMLDSOMYYVFL-FQEVSTJZSA-N 352.438 2.976 0 50 FFAA O=C(NCc1nc(Cc2cccs2)no1)N1CCC[C@H](c2ncc[nH]2)C1 584897420 PHJOYBSNQOUIOS-LBPRGKRZSA-N 372.454 2.534 0 50 FFAA C[C@H](c1ccccc1F)S(=O)(=O)NC(=O)C[C@@H]1OCc2ccccc21 873564329 QRCGTXHWLICXII-PXAZEXFGSA-N 363.410 2.994 0 50 FFAA O=C(NC1(c2nn[nH]n2)CCC1)c1cc(-c2ccccn2)nc2ccccc12 1875261287 KLRRAPSPOXWBFO-UHFFFAOYSA-N 371.404 2.619 0 50 FFAA C[C@H]1c2sccc2CCN1C(=O)C[C@@H](c1ccccc1)n1cnnn1 1875296109 ZNSCPZKRQFMOTO-BBRMVZONSA-N 353.451 2.860 0 50 FFAA C[C@@H](NC(=O)N=c1ccn(Cc2ccncc2)[nH]1)[C@@H](C)Oc1ccccc1 1875264561 DDMPFPMDAGSTDZ-HZPDHXFCSA-N 365.437 2.726 0 50 FFAA CC(C)n1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1C(=O)N1CCC(F)(F)C1 1875397990 WIMQBFVLCKDDAP-OLZOCXBDSA-N 369.416 2.799 0 50 FFAA Cc1ccc(N2CCC(NC(=O)c3n[nH]c4c3C[C@@H](C)O[C@H]4C)CC2)nc1 1875393256 BPDHWHICUPSZQO-KGLIPLIRSA-N 369.469 2.534 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CN(c2ccncc2)CCO3)c(C)o1 952871755 AEDPDSNLGYPXCL-UHFFFAOYSA-N 355.438 2.803 0 50 FFAA O=C(CCCn1cncn1)Nc1ccc(N2CCCC2)c2ncccc12 952984494 UXPFTSOZDQNGMF-UHFFFAOYSA-N 350.426 2.845 0 50 FFAA Cc1ccc2cc(CN3CCC[C@](O)(Cc4nc(C)no4)C3)ccc2n1 888076303 WDLPYFCKXGSPEJ-FQEVSTJZSA-N 352.438 2.804 0 50 FFAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ncccc1Oc1ccccc1 888079338 XVVMXMMZJCUOLK-IBGZPJMESA-N 356.378 2.580 0 50 FFAA COCCCN1CC2(CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)CC1=O 1565529754 OFTIGZIMYBLKBY-MOPGFXCFSA-N 370.493 2.668 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 1565529876 WLBXBOQDHFZQTO-OALUTQOASA-N 355.438 2.742 0 50 FFAA Cc1cc(F)cc2c1CN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CC2 1322639636 JNFKKAXAHKGLRF-UHFFFAOYSA-N 374.437 2.766 0 50 FFAA C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CCO1 273576486 OUTGPIUTYVUXGB-QRQLOZEOSA-N 358.482 2.542 0 50 FFAA C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NC[C@H](CO)CC1CCCCC1 170611737 TUPXCNTYOSRMNP-DAZOGFOGSA-N 372.509 2.900 0 50 FFAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)N(C)c1ccccc1 221998400 ADROYPANZHFIBS-OJYSUCSVSA-N 357.450 2.912 0 50 FFAA CN(C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccccn1 225643881 CFHBARLGKIVODM-MRXNPFEDSA-N 374.391 2.697 0 50 FFAA CCc1cc(N2CCC[C@H](NC(=O)c3cccc4c3CCC4)C2)ncn1 112498420 HUQXWTHWNQBMFK-KRWDZBQOSA-N 350.466 2.927 0 50 FFAA COc1ccc(-n2c(CN3CCCNC(=O)[C@@H]3C)nc3ccccc32)cc1 189336294 HYWPIFLJJKTALP-HNNXBMFYSA-N 364.449 2.745 0 50 FFAA CN(Cc1ccc(Br)c2cccnc12)C1(CO)CCOCC1 191042755 SFGHGTTYODRRIJ-UHFFFAOYSA-N 365.271 2.971 0 50 FFAA COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 192412092 VVHIHSRDHDEMQZ-PRHODGIISA-N 357.193 2.714 0 50 FFAA COc1ccc(OCCCN2CCNC(=O)[C@@H]2c2ccc(F)cc2)cc1 1506415368 XBJWNVKZMIKHOW-IBGZPJMESA-N 358.413 2.776 0 50 FFAA CC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cc(C(=O)O)ccc1OC 1506399328 LZDIFACUNFLLJA-AWEZNQCLSA-N 364.423 2.560 0 50 FFAA Cc1cc(C)c2nc(O)c(CN3C[C@@H](O)[C@H](Cc4ccncc4)C3)cc2c1 1529120897 SWFOZJORRMRBRI-UYAOXDASSA-N 363.461 2.988 0 50 FFAA O=C(Cc1ccccc1C(F)(F)F)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529133226 GTJGYSJBUTUTNP-NVXWUHKLSA-N 368.399 2.570 0 50 FFAA O=C1CC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1CCc1cnc[nH]1 215341964 QQMDVZPRVSZRIC-APWZRJJASA-N 356.445 2.604 0 50 FFAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)Cc3cccc(Cl)c3)C1)CC2 1704298216 HHCDNSKMUVPDOO-IBGZPJMESA-N 356.857 2.761 0 50 FFAA Cc1cccc(OC(C)(C)C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1704352230 ABAOJZCBGPFJMX-MJGOQNOKSA-N 354.450 2.609 0 50 FFAA COc1ccc(-c2c(C)nn3c(N4CCOCC4)cc(C)nc23)cc1OC 5271495 SMJUNVUWZNCIRM-UHFFFAOYSA-N 368.437 2.867 0 50 FFAA O=C(c1cn2cccnc2n1)N1CCO[C@@H](CCCc2ccccc2)C1 11820277 POSJUHFTOLTPEC-KRWDZBQOSA-N 350.422 2.593 0 50 FFAA CC(C)(C)NC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11880120 ISHKOTYSWZUWHR-LBPRGKRZSA-N 357.376 2.904 0 50 FFAA COCC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 12198831 GLIQZMBAVOLAKA-CQSZACIVSA-N 352.862 2.621 0 50 FFAA O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cc[n+]([O-])cc1 12306132 JQCGPCQXCWNNAV-UHFFFAOYSA-N 357.316 2.716 0 50 FFAA O=C(Cn1nc2ccccc2n1)N1CCO[C@@H](CCCc2ccccc2)C1 12386321 FARCAGCZJNQCHK-SFHVURJKSA-N 364.449 2.682 0 50 FFAA COC(=O)CCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2C)C1 12581279 YQZYOEPUEHCAAZ-GOSISDBHSA-N 360.498 2.661 0 50 FFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1 12974774 GICQIRUMRUQLEI-UHFFFAOYSA-N 372.490 2.720 0 50 FFAA CNC(=O)c1nn(C)c2c1C[C@H](N(C)Cc1cc3ccccc3s1)CC2 14536799 ZJNTTYSAEAGITP-CQSZACIVSA-N 368.506 2.984 0 50 FFAA Cc1ccsc1C(=O)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1 169778190 DUWJRDBYRANMEL-GFCCVEGCSA-N 370.438 2.663 0 50 FFAA COc1ccc([C@H]2Cn3nnc(-c4noc(C5CCC5)n4)c3CO2)cc1 169780907 YMDNIDZRYFUQNY-OAHLLOKOSA-N 353.382 2.876 0 50 FFAA O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC[C@H]2CC[C@H](O)[C@H]21 1857530975 KDLAFFTYEDLWQV-ICCXJUOJSA-N 364.858 2.658 0 50 FFAA CSCC(=O)N1CCC2(CC1)CC(=O)N(CC1CCCCC1)CCO2 1857692098 OFHVJCQKRKWWOF-UHFFFAOYSA-N 368.543 2.540 0 50 FFAA Cc1ccc(-c2nccn2[C@@H]2C[C@H]3CO[C@@H](CCO)CN3C2)c(F)c1F 1857714967 UZOPBQWUJMFSNA-ILXRZTDVSA-N 363.408 2.533 0 50 FFAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1C[C@H]2CCC[C@H]2C1 1857729704 IKSJEIGSJXCFOT-MJBXVCDLSA-N 355.463 2.908 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)C1 237656160 PSWOAYYGGZDWFU-HNNXBMFYSA-N 351.200 2.867 0 50 FFAA CC(C)N1C[C@@H](NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 247290564 KTWYUEOSYVOJKO-IAQYHMDHSA-N 372.296 2.568 0 50 FFAA Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@@H]1CCCCNC1=O 133968670 LOKSNSVNQLPLFP-GFCCVEGCSA-N 372.899 2.810 0 50 FFAA O=C(c1ccc(F)cc1F)N1CCN(C[C@H](O)CC2CCCC2)CC1 252491210 LJAMMSHIEKHAAQ-MRXNPFEDSA-N 352.425 2.664 0 50 FFAA NCc1ccc2c(c1)CCC[C@H]2NC(=O)Cn1ccc(=O)c2ccccc21 2325774946 JVERHKAHRIZYTJ-LJQANCHMSA-N 361.445 2.654 0 50 FFAA COc1ccc([C@H](NC(=O)c2cnn3ncccc23)C(F)(F)F)cc1F 888092631 MBFSYRMBMAUKGU-AWEZNQCLSA-N 368.290 2.910 0 50 FFAA CN1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)[C@H](c2ccccc2)C1 245642351 DSAAMDXACPFWGO-HNNXBMFYSA-N 373.526 2.763 0 50 FFAA CCc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 1168016 PSLIZRQCEDTMQM-UHFFFAOYSA-N 350.415 2.793 0 50 FFAA CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2cccs2)CC3=O)CC1 2343008 QKWPCONPJUBMLZ-AWEZNQCLSA-N 356.495 2.901 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCC2=CCCCC2)[C@H]1c1ccccc1 2356136304 OMGRRFJYJPPZQX-UXHICEINSA-N 356.466 2.980 0 50 FFAA O=C(CSc1nnc(-c2ccccc2)[nH]1)NCc1cccc(C(=O)O)c1 2879124 VUQBOPRBFLPMNM-UHFFFAOYSA-N 368.418 2.578 0 50 FFAA CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 2881379 ZJUZWFQMZCCLLO-UHFFFAOYSA-N 352.843 2.989 0 50 FFAA Cc1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1C 2989479 QSEPYNZHAMRPGX-UHFFFAOYSA-N 372.556 2.717 0 50 FFAA O=C(O)C1[C@H](c2ccccc2)C(C(=O)OCCCO)[C@H]1c1ccccc1 4410293 PCFRNRNCXSRKCS-YXWAVELNSA-N 354.402 2.810 0 50 FFAA C[C@@H]1CCC(=O)N1c1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1 55271020 RUMICIYSWLWNCU-QGZVFWFLSA-N 370.541 2.855 0 50 FFAA CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 9198205 ANNYLQSFAKQUFL-JTQLQIEISA-N 350.831 2.979 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(O)c3)C[C@H]2CCO)cc1C 107100625 ULNVLSXPXWEYJK-HXUWFJFHSA-N 370.493 2.778 0 50 FFAA Cc1ncncc1C(=O)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 20781440 MNWWQFIIDVGAFS-HNNXBMFYSA-N 354.458 2.587 0 50 FFAA O=C(Nc1ccccc1CN1CCOCC1)c1cccc(-n2ccnc2)c1 117622661 HPPFFJNEAJBHNK-UHFFFAOYSA-N 362.433 2.957 0 50 FFAA CC1CCN(C(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)CC1 100571002 MUOAMTUYGRKATG-LNMJFAINSA-N 364.445 2.870 0 50 FFAA O=C(N[C@H](CO)c1ccccc1)c1cc(COc2cccc(F)c2)[nH]n1 67947214 CIUPNYZLVLMWGY-GOSISDBHSA-N 355.369 2.591 0 50 FFAA O=C1C[C@H](c2c(Cl)nc3sccn23)c2c(nc3ccccn23)CN1 65433873 YFQWCTTVUQPXST-VIFPVBQESA-N 357.826 2.849 0 50 FFAA Cn1cc(CN(C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)C2CC2)cn1 67822022 JZEPRERMGDDOPY-OAHLLOKOSA-N 353.344 2.664 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1nnc(C(C)(C)C)s1 63844705 WQJFXUKSIVOTNH-LLVKDONJSA-N 353.492 2.700 0 50 FFAA CC1CCN(C(=O)[C@H](C)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 229423339 YLRWSHMVUMTODS-JKSUJKDBSA-N 353.507 2.575 0 50 FFAA CN1CC[C@@H](CNCc2ccc(Br)c3cccnc23)CC1=O 424192703 UGZVPPOWSMZTGY-GFCCVEGCSA-N 362.271 2.955 0 50 FFAA c1ccc(COc2cccc(CN3CCN(c4ncccn4)CC3)c2)nc1 65453798 JNVKVJCPRJTYGE-UHFFFAOYSA-N 361.449 2.773 0 50 FFAA CCc1nn(C)c(OC)c1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328625867 DOVAJPULYHRSGT-NSHDSACASA-N 371.407 2.559 0 50 FFAA CCCN1CCC(NC(=O)c2cc(COc3ccccc3F)[nH]n2)CC1 67805388 CJJFREBTKCPTMJ-UHFFFAOYSA-N 360.433 2.732 0 50 FFAA Cc1noc(Cl)c1CC(=O)NCCc1cc(F)cc2c1OCOC2 130346227 IVEDWDDHCIPADD-UHFFFAOYSA-N 354.765 2.543 0 50 FFAA Cc1cccc(CNC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)c1C 67772930 ORETUVWABOSYKJ-QHCPKHFHSA-N 366.505 2.989 0 50 FFAA COC(=O)c1c(C)nn2c1ncc1c(=O)n(-c3ccc(C)c(C)c3)ccc12 71754985 OPQPUDXMHZPJJZ-UHFFFAOYSA-N 362.389 2.745 0 50 FFAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 237725776 AYEUTBUGBGOVDZ-XGPAMQPPSA-N 351.834 2.639 0 50 FFAA Cc1nn(C)c(C(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)c1Cl 72146423 YJQCHZPPTFIEOM-IBGZPJMESA-N 372.856 2.532 0 50 FFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 252515543 LGEYFMBYOHCZJM-JLSDUUJJSA-N 362.445 2.985 0 50 FFAA COc1coc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)cc1=O 72478396 XXXYIEBUYSVXDX-UHFFFAOYSA-N 362.470 2.909 0 50 FFAA O=C(O)COc1ccccc1CN1CCN(c2ccc(Cl)cn2)CC1 72475573 HBEGBGGUNJGRRK-UHFFFAOYSA-N 361.829 2.521 0 50 FFAA CN1CCN2CCN(Cc3ccccc3OCCc3ccccc3)C[C@@H]2C1 216332325 ZKJOFEBRLCVCKC-QFIPXVFZSA-N 365.521 2.740 0 50 FFAA O=C(CCc1ccncc1)N1CCN(c2nc3ccccc3s2)CC1 72463799 QWRLFRMBAIEWRX-UHFFFAOYSA-N 352.463 2.973 0 50 FFAA CCCCSCc1cc(C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)oc1C 71738647 FJWCVHGOZOIKRE-FSDCSDTHSA-N 367.511 2.825 0 50 FFAA COc1ccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)cc1O 39430509 OBUQHLUICFCIQJ-GOSISDBHSA-N 374.456 2.609 0 50 FFAA Cc1cccc(OC2CN(c3nc(-c4ccccn4)nc4c3CCNC4)C2)c1 72161036 AZVHCBWXBQYYKC-UHFFFAOYSA-N 373.460 2.760 0 50 FFAA O=C1CC[C@H]2CN(Cc3cc4ccccc4[nH]3)CC[C@H]2N1CCCCO 72476943 ROWWQELCWJZKLB-FXAWDEMLSA-N 355.482 2.753 0 50 FFAA COCCc1noc([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)n1 72127478 PGZDQQPUBROFJV-KRWDZBQOSA-N 367.453 2.824 0 50 FFAA COc1ccc(OC2CCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)CC2)cc1 77521916 HQQUXMOMGCTKPR-AWEZNQCLSA-N 372.469 2.610 0 50 FFAA COc1ccc2nc(-c3noc([C@@]4(C)CCN(C(C)=O)C4)n3)ccc2c1 371908896 IFTCKRYBSBGWIN-IBGZPJMESA-N 352.394 2.803 0 50 FFAA COc1ccccc1N1CCN(C(=O)c2ccc3nonc3c2)[C@H](C)C1 72434271 BLIJKJURDQMTFU-CYBMUJFWSA-N 352.394 2.582 0 50 FFAA CCc1cnc(CN(C)S(=O)(=O)c2cnn(-c3ccccc3)c2)s1 175469381 UEVVIPLRZOQKJP-UHFFFAOYSA-N 362.480 2.712 0 50 FFAA O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@H](O)C3CC3)cc2C1 222703133 NAALRXBRHCTIBU-MRXNPFEDSA-N 367.783 2.914 0 50 FFAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2cc(F)cc(F)c2O)c1 426414859 YRLDYQZKCDHKBT-LLVKDONJSA-N 360.360 2.640 0 50 FFAA O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(=O)c2ccccc2o1 220549179 UIFXXGTXNVUHOL-UHFFFAOYSA-N 363.417 2.582 0 50 FFAA O=C(CN1CCOCC1)N1CCc2ccccc2[C@@H](c2ccccc2)C1 19370020 QJFFTXPMXOFWLV-OAQYLSRUSA-N 350.462 2.535 0 50 FFAA CCC[C@H](NC(=O)N1CCN(C)C2(CCN(C)CC2)C1)c1ccccc1 426470810 LUCLSESLSNULDO-IBGZPJMESA-N 358.530 2.949 0 50 FFAA Cc1ccc(-c2ccc(CCC(=O)N3CCN(c4nc[nH]n4)CC3)o2)cc1 426722680 SIKDMQFERPORNJ-UHFFFAOYSA-N 365.437 2.655 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(c1ncnc3ccsc13)CC2 91966239 SALJYQICGZMOMK-UHFFFAOYSA-N 354.483 2.788 0 50 FFAA Nc1nc(=NCc2csc(-c3ccccc3)n2)cc([C@@H]2CCOC2)[nH]1 426442465 AXUONYNEGLORTH-CYBMUJFWSA-N 353.451 2.720 0 50 FFAA CC1(C)C(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3=O)C1(C)C 91943960 GQVTXTSGRVACRJ-GOEBONIOSA-N 355.482 2.713 0 50 FFAA O=C1C[C@H](C(=O)NCCc2nc3c(s2)CCCC3)c2cc(F)ccc2N1 92099770 LCLFVICZZSFMKR-ZDUSSCGKSA-N 373.453 2.946 0 50 FFAA Cc1ccc([C@](O)(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)C(F)(F)F)o1 180425340 PCVUCVDAXNIMQQ-XOKHGSTOSA-N 369.339 2.503 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccncc2)nc1 95360458 QQYGLEZRRXXXOQ-UHFFFAOYSA-N 373.416 2.595 0 50 FFAA Cc1cc(C)nc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 91931401 XKBQNVBUMIYDTD-UHFFFAOYSA-N 365.481 2.898 0 50 FFAA CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCC[C@H]4O)[nH]n2)cc1 95384042 OKHNHTTUFWATGY-LJQANCHMSA-N 369.465 2.785 0 50 FFAA O=C1CC[C@@H](CN(Cc2ccccn2)C(=O)c2cc3c(s2)CCCC3)N1 91586606 YTSDXCLSQNIQBE-INIZCTEOSA-N 369.490 2.943 0 50 FFAA CCc1c(C)nn(CCNC(=O)Nc2ccc(F)c(NC(C)=O)c2)c1C 97785012 JYKGIRHLLWCETR-UHFFFAOYSA-N 361.421 2.982 0 50 FFAA COCc1cccc(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)n1 97323899 DHZXYUDRXGTDFF-GOSISDBHSA-N 353.466 2.837 0 50 FFAA O=C(NCCCNc1cccnc1)Nc1ccc(N2CCCC2=O)cc1 96160640 OYFXVNXPSLTXDQ-UHFFFAOYSA-N 353.426 2.832 0 50 FFAA CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1cc(C(=O)O)ccc1F 236620741 KFGBYQCQIAPXCO-GOSISDBHSA-N 372.396 2.846 0 50 FFAA Cc1noc([C@H]2CCCCN2CCC(=O)Nc2ccsc2C(=O)O)n1 244787997 QHLXRJDBPWPTFC-GFCCVEGCSA-N 364.427 2.694 0 50 FFAA O=C(N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1)c1scc2c1CCCC2 244840306 UKSLXUDPMXGBIU-BETUJISGSA-N 372.494 2.722 0 50 FFAA Cc1nccn1CC1(CNC(=O)N(C)Cc2nc3ccccc3n2C)CC1 534649276 YRGPYFAFFXJUGJ-UHFFFAOYSA-N 366.469 2.700 0 50 FFAA O=C(Nc1cccc2[nH]ncc12)NC1CCN(Cc2cccnc2)CC1 299771790 UQHJVVRBOCYNPR-UHFFFAOYSA-N 350.426 2.744 0 50 FFAA Cc1c[nH]c(CN(C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)n1 299790176 ATEBOYHNXGOABR-UHFFFAOYSA-N 357.458 2.855 0 50 FFAA CCC[C@@H](NC(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1)C(=O)NC 299796100 MSOJQAVFIQEQCL-CQSZACIVSA-N 368.865 2.514 0 50 FFAA Cc1nnsc1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828057213 QVIWUJJINKYCSN-UHFFFAOYSA-N 359.455 2.523 0 50 FFAA O=C(NCCc1noc(C2CCC2)n1)N1CCC(Cc2cccnc2)CC1 584899989 RHRQOYIUAVQFKA-UHFFFAOYSA-N 369.469 2.939 0 50 FFAA CCc1nc(C)c(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)o1 952848818 VAXNCJUURUIIOV-KGLIPLIRSA-N 355.442 2.807 0 50 FFAA O=C(N=c1cc([C@@H]2CCCOC2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875261606 HDBOFQZIBRTBMY-OAHLLOKOSA-N 366.425 2.614 0 50 FFAA Cc1ccc(S[C@H](C)C(=O)N2CCC[C@H]2c2nn[nH]c2C(=O)O)cc1 1875292102 WMQPDCVQBHUFMV-YPMHNXCESA-N 360.439 2.656 0 50 FFAA C=CC(=O)NC[C@@H]1CN(C(=O)c2cc3cc(C)ccc3s2)CCCO1 1875386448 QOQMUXVLNJGIIT-OAHLLOKOSA-N 358.463 2.743 0 50 FFAA Cn1c(CC(=O)N2CCC[C@@]23CCC[S@@](=N)(=O)C3)cc2ccccc21 1875396077 VADBJZBJIPNOEE-UQBPGWFLSA-N 359.495 2.923 0 50 FFAA CCn1nc(C(=O)N2CCC[C@]23CCC[S@@](=N)(=O)C3)cc1C1CC1 1875395707 JLJQASDOFGUBGQ-MZNJEOGPSA-N 350.488 2.596 0 50 FFAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1cc(=O)nc2sccn12 952868753 SRJRDXOCVDAEGD-GFCCVEGCSA-N 371.418 2.566 0 50 FFAA CN1C(=O)CC[C@H](CN[C@H]2CCc3cc(F)ccc32)[C@H]1c1cnn(C)c1 886094902 GWZGFJKRDXREOY-WNYOCNMUSA-N 356.445 2.746 0 50 FFAA CC(=O)NCc1cc(O[C@H]2CCN(C/C=C/c3ccccc3)C2)ccn1 886097113 OCGQOIJCKQYSPJ-FERLCFGISA-N 351.450 2.884 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 886080340 XMFNBCNRNSUVCA-APWZRJJASA-N 354.454 2.817 0 50 FFAA Cc1cc(C(F)(F)F)nn1CCNC(=O)CC[C@H](N)c1ccccc1 1354747428 KHONRXPTYYHJFV-AWEZNQCLSA-N 354.376 2.807 0 50 FFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 1565527193 GYVVVCSGPAWGMK-BBRMVZONSA-N 356.388 2.888 0 50 FFAA COCc1cccc(CC(=O)N2CCN(CCc3ccccc3)CC2)c1 186340177 SOMAKCQBBLEVBA-UHFFFAOYSA-N 352.478 2.762 0 50 FFAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CO)[C@H]1CCCOC1 412707284 IOADZQWBJGBXHV-ZFWWWQNUSA-N 364.442 2.775 0 50 FFAA Cn1cncc1CCC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 281450269 CLOYHJWETHBBCT-LLVKDONJSA-N 355.364 2.501 0 50 FFAA Cc1c(NC(=O)CN(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)cnn1C 1506400460 AFJVFSUXEZKVIO-ZDUSSCGKSA-N 352.442 2.750 0 50 FFAA CCCn1ncc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 1506414728 RJLOWOGZNZNGCX-CQSZACIVSA-N 356.426 2.602 0 50 FFAA O=C(c1cccs1)[C@H]1CCCN(c2cncc(C(=O)N3CCCC3)n2)C1 1529110801 PEFVAUKMAZJEAL-AWEZNQCLSA-N 370.478 2.873 0 50 FFAA Cc1ccc2nc(CN(C)c3cncc(C(=O)N4CCCC4)n3)[nH]c2c1 1529172139 JXZKCRJTIBMBMQ-UHFFFAOYSA-N 350.426 2.534 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2n[nH]c3c2COCC3)C[C@@H](c2ccccc2)O1 1529090308 GERXMIBNBDGWIT-MSOLQXFVSA-N 355.438 2.721 0 50 FFAA Cc1ncsc1CCN(C)CC(=O)NCCc1ccc(Cl)cc1 1529153212 SMLJBTPIQGTPMH-UHFFFAOYSA-N 351.903 2.938 0 50 FFAA COc1ccc2[nH]cc(CCNc3cncc(C(=O)N4CCCC4)n3)c2c1 1704340147 VUQBGRLYNSNHQB-UHFFFAOYSA-N 365.437 2.857 0 50 FFAA C[C@]1(O)CCOC2(CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 1704310808 TXUNXMKNIDXARJ-INIZCTEOSA-N 355.381 2.904 0 50 FFAA O=C(c1c(N2CCOCC2)noc1-c1ccccc1)N1C[C@H]2CC[C@H]1C2 1704312404 RBOWCCORBZCDTM-HOCLYGCPSA-N 353.422 2.803 0 50 FFAA CCC[C@H]1CN(S(=O)(=O)c2ccc(OC(F)F)cc2)C[C@@H]1N(C)C 220184913 RWLREMIHLBDEMZ-WFASDCNBSA-N 362.442 2.639 0 50 FFAA CCCOc1cc(Cl)c(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1OC 1772709502 PYSHKIPRNSNKJN-DNVCBOLYSA-N 369.889 2.968 0 50 FFAA CC(C)(C)CN1C[C@@H]2CN(CCc3c[nH]c4ccccc34)C[C@]2(CO)C1 1772806349 WYAJVXQKQBTYNI-PGRDOPGGSA-N 355.526 2.983 0 50 FFAA Cc1ccn(CCC(=O)N2CCCN(C[C@H](C)c3ccccc3)CC2)n1 1772807911 WALNNPVFCFFAQH-SFHVURJKSA-N 354.498 2.920 0 50 FFAA COC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)c1 11690140 KZYUOKOMUXGBBX-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 11999514 KFGPFCRNEJECHL-AWEZNQCLSA-N 361.467 2.564 0 50 FFAA Cc1ccsc1C(=O)NCCc1nnc(SCc2ccccn2)n1C 12245384 PQNHPGRCGDSNOS-UHFFFAOYSA-N 373.507 2.845 0 50 FFAA COCCOC1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)CC1 12455332 PKIDCFVWULWCKY-UHFFFAOYSA-N 364.490 2.516 0 50 FFAA CC(C)c1ccc(CN2CCC[C@]3(CCN(S(C)(=O)=O)C3)C2=O)cc1 12475303 GOXMMAKDQXEBGU-LJQANCHMSA-N 364.511 2.584 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1 13331693 BKGCSNQHCNDVDT-MRXNPFEDSA-N 356.422 2.648 0 50 FFAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)c1cnccn1 15063988 YBODLDLAYOFTNM-CQSZACIVSA-N 354.458 2.837 0 50 FFAA CNC(=O)Cc1nc([C@]2(c3cccs3)CC2(C)C)n(CC(F)(F)F)n1 1857676842 UEBRBJURPQSJPA-OAHLLOKOSA-N 372.416 2.906 0 50 FFAA CCCn1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c(C)n1 1857734013 JTKYXZIBMURCLZ-WSTZPKSXSA-N 368.481 2.546 0 50 FFAA NC(=O)C1(CNc2cnc3cc(Cl)c(Cl)cc3n2)CCOCC1 302064222 CKGUWOCYXHWWLG-UHFFFAOYSA-N 355.225 2.631 0 50 FFAA O=C(Nc1cnsn1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 328595117 LHBCYLFJFJZUPG-LLVKDONJSA-N 371.249 3.088 0 50 FFAA CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CCC(c3ncc[nH]3)CC2)n1 328640895 QHVUBXYAVYSECJ-AEFFLSMTSA-N 370.501 3.199 0 50 FFAA CCOc1nc(C)ccc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1 241719778 QPLZCADMMJMNAV-UHFFFAOYSA-N 373.478 2.885 0 50 FFAA CC(C)(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccc2c(c1)OCCO2 266317165 TZOCEHDICMANAR-UHFFFAOYSA-N 371.437 2.991 0 50 FFAA COc1ccc([C@@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 1097855 IOOFZEAVFUBZDC-LJQANCHMSA-N 374.462 2.555 0 50 FFAA O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1cc2c(o1)CCCNC2 2325774729 NNRMNHLYIYRSFX-HNNXBMFYSA-N 360.376 2.935 0 50 FFAA Cc1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nnn1[C@@H]1CCNC1 854136040 HGEXHHGHJPUGPD-GFCCVEGCSA-N 364.331 2.857 0 50 FFAA C[C@H](O)c1n[nH]c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)CCC3(C)C)n1 2325851897 LYEUMYXGZVOTME-MNOVXSKESA-N 356.426 2.603 0 50 FFAA OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CCN1C1CCCC1 20537319 AASHXIOVVUXEFN-NRFANRHFSA-N 354.498 2.684 0 50 FFAA Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 902453 TUKQJLDUFABDKK-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 1010681 XDJMYNQXHKMQRI-UHFFFAOYSA-N 370.361 2.529 0 50 FFAA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC)cc1 1467432 QSWJKDRATZGRGQ-INIZCTEOSA-N 360.435 2.909 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(C(=O)Cc2c(F)cccc2Cl)C1 2356146519 JPULKOIIWQQCKB-LJQANCHMSA-N 374.847 2.731 0 50 FFAA O=C(c1ccco1)N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 2851391 SZOVBSOGSQZTDN-UHFFFAOYSA-N 351.378 2.713 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3cncn3C)C2)[C@@H]2CCCC(=O)N12 2356160382 PSPHXOCVWWJVEV-OWSLCNJRSA-N 372.513 2.698 0 50 FFAA COc1ccc(CCNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1OC 4894538 UYOJBKFIFVXBNI-HZPDHXFCSA-N 361.438 2.810 0 50 FFAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCN(Cc2ccccc2)CC1 20328066 RAGPTVWQHVITQA-FQEVSTJZSA-N 367.424 2.663 0 50 FFAA Cc1cc2[nH]cc(C(=O)N3CCCC[C@@H]3CCc3ccccc3)c(=O)n2n1 102589329 VAJSPWIGZBKJGK-QGZVFWFLSA-N 364.449 2.959 0 50 FFAA O=c1oc2cc(OC[C@@H](O)CNc3nccs3)ccc2c2c1CCC2 20746145 AVOIJSKNIJODCZ-NSHDSACASA-N 358.419 2.590 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)CC[C@@H]1CCCCO1 328643778 YXDAJCTZHGIVJU-XKGZKEIXSA-N 362.518 2.611 0 50 FFAA C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ccc(C(=O)N(C)C)[nH]1 124107211 DFFSHPRCQPKAET-OKILXGFUSA-N 364.490 2.546 0 50 FFAA CCCOc1cc(F)ccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 125643431 NTWWEXCCEZPCBI-OAHLLOKOSA-N 362.405 2.744 0 50 FFAA COc1ccc(CCN2C(=O)O[C@@H]3CN(c4ccc(Cl)cn4)C[C@@H]32)cc1 39479142 YQHXYPZPRRFQLE-DLBZAZTESA-N 373.840 2.996 0 50 FFAA Cc1c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C(=O)O)oc2ccc(F)cc12 332210611 GHSVIASTMJPJAL-XPTSAGLGSA-N 355.387 2.754 0 50 FFAA Cc1cc(C)n(C2CN(c3nc(-c4ccccc4)nc4c3CCNC4)C2)n1 67867540 PBFFIYVFBATOQT-UHFFFAOYSA-N 360.465 2.664 0 50 FFAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCc3c(C(N)=O)cccc31)C2 173599189 OIJWKNFHHQLUDC-IBGZPJMESA-N 350.418 2.685 0 50 FFAA CC(=O)c1c(C)nn(CC(=O)N2CCC(OCc3ccccc3)CC2)c1C 77540879 JRVJVPIZDDYRQE-UHFFFAOYSA-N 369.465 2.910 0 50 FFAA Cc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)nc(-c2cccnc2)n1 284574369 NLAWQTAHMSKEAK-QKLQHJQFSA-N 354.454 2.603 0 50 FFAA O=S(=O)(c1cnc2n1CCC2)N1CCCc2c1cccc2C(F)(F)F 333827219 LUSJJRFBWVZADL-UHFFFAOYSA-N 371.384 2.990 0 50 FFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)c2ccccc2oc1=O 217858750 JMQQGAFTFPAARS-CYBMUJFWSA-N 370.357 2.908 0 50 FFAA biogenic O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(CSc2ccccc2)o1 72475646 DHAWBDRLWKJYPE-CYBMUJFWSA-N 361.419 2.888 0 50 FFAA C[C@@H](C1CCN(C(=O)Cc2cc(F)cc(Cl)c2)CC1)N1CCOCC1 72423750 LAQYBJUMWHYMTD-AWEZNQCLSA-N 368.880 2.981 0 50 FFAA CC(=O)NCCCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71315728 ZFOHMZNUGYGGIO-HNNXBMFYSA-N 359.253 2.810 0 50 FFAA Cc1ccc(C)c(-c2[nH]ncc2CN2CCN(Cc3noc(C)n3)CC2)c1 215786756 ISRUUYRYNGBDMM-UHFFFAOYSA-N 366.469 2.703 0 50 FFAA COCCN(Cc1ccsc1)C(=O)c1cc2ccccc2n(C)c1=O 214981543 ITUZUVRWRQELFM-UHFFFAOYSA-N 356.447 2.889 0 50 FFAA COc1cc(OC)c(OC)cc1CNC(=O)CCc1ccccc1C(=O)O 262197112 RTQPMODIFPDPOB-UHFFFAOYSA-N 373.405 2.660 0 50 FFAA CCn1c(N)nc2cc(C(=O)NCc3nc(C(C)(C)C)cs3)cnc21 77286811 LVJOYSINCVCPRK-UHFFFAOYSA-N 358.471 2.717 0 50 FFAA CCn1ccc(C(=O)N(Cc2ccccc2C)C[C@H]2CCCO2)cc1=O 215099645 HCBZADFWTOAYMO-LJQANCHMSA-N 354.450 2.998 0 50 FFAA CCC(=O)N1CC[C@@H](Nc2ccc(S(C)(=O)=O)cc2C(F)(F)F)C1 287910211 POTCJNQKNVPHDD-SNVBAGLBSA-N 364.389 2.532 0 50 FFAA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cn[nH]c1-c1ccc(F)cc1)C2 221304405 RQVMEZXLZYOIPL-GOSISDBHSA-N 355.417 2.872 0 50 FFAA C[C@H](NC(=O)c1cc(C(=O)O)ccn1)c1ccc(NC(=O)C2CC2)cc1 263403590 JUZAVHDQSUJLJC-NSHDSACASA-N 353.378 2.619 0 50 FFAA Cc1ccc(S[C@@H](C)C(=O)NCc2cccnc2-n2cncn2)cc1 47122756 RIRSMTWMTMTJFB-AWEZNQCLSA-N 353.451 2.768 0 50 FFAA Cc1nc(N2CCCC2)nc(-c2cccc(C(=O)N3CC[C@H](N)C3)c2)c1C 426544999 HKAFUUBPFOKIPY-SFHVURJKSA-N 365.481 2.534 0 50 FFAA Cc1cccc([C@H](NC(=O)N(Cc2cnn(C)c2)CC(C)C)C(=O)O)c1 426444456 FLGQCESRESZLRZ-KRWDZBQOSA-N 358.442 2.722 0 50 FFAA CN1CCN(CC[C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)CC1 223596469 VVZHSNXDVQJLAE-KRWDZBQOSA-N 365.468 2.526 0 50 FFAA COCCN1C[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2)CCC1=O 82139021 GTLAFOQGWDJEOG-LJQANCHMSA-N 352.425 2.816 0 50 FFAA CCn1ccnc1CN(C)C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 426404385 SSCKMTBCIMUDNJ-LJQANCHMSA-N 369.513 2.924 0 50 FFAA Cc1ccc(C(=O)N2CC[C@]3(CCCN(C4CCOCC4)C3=O)C2)cc1 91574827 AYUDSXDEEVVSSR-OAQYLSRUSA-N 356.466 2.629 0 50 FFAA C[C@H](N)[C@@H]1CCCCN1C(=O)COc1ccccc1OCC(F)(F)F 237425226 HGNSHVFHEVLYCT-STQMWFEESA-N 360.376 2.735 0 50 FFAA COCCCN1CC[C@@H](CNC(=O)c2cccc(-c3ccc(F)cn3)c2)C1 426651341 NUAROSFDQMIVTA-INIZCTEOSA-N 371.456 2.976 0 50 FFAA Cc1cccc([C@H](C(=O)NCc2csc(N3CCCC3)n2)N(C)C)c1 95383066 JBWGQEXPEPLVHJ-QGZVFWFLSA-N 358.511 2.971 0 50 FFAA COc1ccc(C)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 91819359 PWIOXOUAXSVFLE-JKSUJKDBSA-N 357.454 2.868 0 50 FFAA C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCCN2CCOCC2)c1 95531258 JOLZCPSSWRKXIT-QGZVFWFLSA-N 360.502 2.515 0 50 FFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCN1CCc3ccccc31)CO2 91952085 NTBVLRLXHFDUON-SFHVURJKSA-N 366.461 2.815 0 50 FFAA C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2cnccn2)C1 91665043 DFTMYXGGERJRAV-HXUWFJFHSA-N 353.422 2.619 0 50 FFAA O=C1CCC2(CCN(c3cc(C(F)(F)F)ccn3)CC2)CN1CCCO 92022423 INHKZAZHXMEOAV-UHFFFAOYSA-N 371.403 2.692 0 50 FFAA O=C(c1cnc(-c2cccnc2)nc1)N1CC[C@@H](Cc2cccc(CO)c2)C1 95391958 WVFWDEMUVYYPOB-KRWDZBQOSA-N 374.444 2.736 0 50 FFAA CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 92078610 HREPSSVNWAPQSP-UHFFFAOYSA-N 370.497 2.593 0 50 FFAA COc1ccc(C)cc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2OC)C1 91320014 IAOBKVKRAXNWTI-DLBZAZTESA-N 369.417 2.953 0 50 FFAA Cc1nccn1CCCNC(=O)Nc1ccccc1OC[C@@H]1CCCO1 96148190 HNACKHTWGSAVFV-INIZCTEOSA-N 358.442 2.961 0 50 FFAA CCc1nc(C[C@@H]2CN(C(=O)Nc3ccc4c(c3)CCC4)CCO2)no1 95528282 OVYYZJOXTGOLHW-MRXNPFEDSA-N 356.426 2.596 0 50 FFAA O=C(O)CC[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 238006485 LGZSRFPPFHXXLG-OAHLLOKOSA-N 363.429 2.977 0 50 FFAA COc1ccc(/C=C/CN2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)cc1 91676815 GCVROJHHDYZZPO-ZDUIWUOISA-N 374.525 2.504 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]2C[C@@H](O)C2)cn1 244882618 XVGGOBNPSRJHCR-GMBSWORKSA-N 360.841 2.915 0 50 FFAA COc1c(C)c(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)cc1O)C2=O 247973559 UFYRDFXCXPHUDD-LLVKDONJSA-N 360.362 2.563 0 50 FFAA biogenic Cc1nc(-n2cnnc2)ccc1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 534640095 USZOHOQMWPWRNJ-QGZVFWFLSA-N 363.421 2.547 0 50 FFAA CCCn1cc(CNC(=O)c2cccc(-c3nccnc3OC)c2)cn1 299764171 XMTBTCSWQBMJCS-UHFFFAOYSA-N 351.410 2.689 0 50 FFAA O=C(Nc1ccc2ncccc2c1)N1CCCC[C@@H]1CN1CCOCC1 299774214 AEVUHHOQPAYBAA-GOSISDBHSA-N 354.454 2.953 0 50 FFAA Cc1nc2sccn2c(=O)c1CCN1CC=C(Br)CC1 1875281514 FHJPUYQDTCVKAF-UHFFFAOYSA-N 354.273 2.591 0 50 FFAA N[C@@H]1CC[C@@H](C(=O)NCc2cc3c(nc2O)CCCC3)c2ccccc21 1875287803 ZZERVWAQHHWAPO-QZTJIDSGSA-N 351.450 2.860 0 50 FFAA Cn1cnc2c1CC[C@@H]1[C@H]2CCCN1C(=O)c1cncn1-c1ccccc1 1875295900 URVGEGBMFSODBK-IAGOWNOFSA-N 361.449 2.940 0 50 FFAA Cc1nc(CN(C)C(=O)c2cccc(NC(=O)c3cccnc3)c2)co1 1875309193 XEIACBFYXMWKCM-UHFFFAOYSA-N 350.378 2.903 0 50 FFAA NCc1ccn2ncc(C(=O)NCC3(c4ccccc4)CC(F)(F)C3)c2c1 1875304586 OOZUIVIZAOHLOV-UHFFFAOYSA-N 370.403 2.890 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2[C@H]3CCC[C@H]2N(C(=O)[C@@H]2CC2(C)C)C3)ccn1 1875404945 DUNBIYWSRMDQKA-XWTMOSNGSA-N 355.482 2.793 0 50 FFAA COc1ccnc(CN2CCC[C@@H](CNC(=O)c3occc3C)C2)c1OC 952986206 FTVVSPSLIBXOAI-HNNXBMFYSA-N 373.453 2.642 0 50 FFAA Cc1ccc(O[C@H](C)c2nc(CC(N)=O)nn2CC(F)(F)F)cc1C 952860277 KSDQMQDLWUWRFA-LLVKDONJSA-N 356.348 2.625 0 50 FFAA CC(=O)N1CCC[C@H](c2nnc(-c3cc(=O)c4ccccc4o3)o2)[C@@H]1C 886084521 DJPWUVYUZHUXKM-AAEUAGOBSA-N 353.378 2.957 0 50 FFAA CC(C)(C)n1nc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)cc1C1CC1 888076905 XALHAFNXAICSCM-HNNXBMFYSA-N 354.458 2.865 0 50 FFAA Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H]2CCCSC2)c1 170652126 XZCNCYGEIKHPOZ-AWEZNQCLSA-N 362.524 2.944 0 50 FFAA CC(=O)N1CCC[C@@H](C(=O)N[C@H](COc2ccccc2F)C(C)(C)C)C1 112251800 WTPFBGFZSLJVJF-CRAIPNDOSA-N 364.461 2.994 0 50 FFAA O=C(Nc1cnns1)NC1CCN(Cc2ccc(Cl)cc2)CC1 192371383 WTMJSPWJDRHLBT-UHFFFAOYSA-N 351.863 2.978 0 50 FFAA Cc1ccc(N2CCNC2=O)cc1NC(=O)Nc1cnn(C)c1C1CC1 786279262 WOXWHFSPAURRAX-UHFFFAOYSA-N 354.414 2.780 0 50 FFAA Cc1ccnc2ccc(C(=O)NS(=O)(=O)N3CCc4ccccc43)cc12 796944415 BUISTJMSLMBQOG-UHFFFAOYSA-N 367.430 2.581 0 50 FFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(-c2ccncc2)no1 1529190668 LKXNLNMOBUUYHC-UHFFFAOYSA-N 357.435 2.772 0 50 FFAA Cc1ccnn1CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1616081525 FOPLRIHANOEYDE-XLIONFOSSA-N 364.449 2.504 0 50 FFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2c(C)noc2C)C[C@@H]1C(=O)O 213121597 DOIMNMRXLGTORE-MSOLQXFVSA-N 356.422 2.859 0 50 FFAA CCOc1cccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1 1615736174 VIGMBPRBHGZKOA-FPOVZHCZSA-N 366.461 2.983 0 50 FFAA CC(=O)Nc1ccc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)cc1 11873145 IFXCJAIWRBZZIX-SFHVURJKSA-N 366.465 2.682 0 50 FFAA CC(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 12442870 DQDRKUJJDBDRLM-AWEZNQCLSA-N 360.410 2.621 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3)C2)nn1C 12718346 UCOIDZIYWWXMGB-OAQYLSRUSA-N 370.472 2.996 0 50 FFAA O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccccc3)CC2)[nH]1 13999259 QIHRYPSRCDBPDG-UHFFFAOYSA-N 350.397 2.903 0 50 FFAA COc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 14964613 KUAMNTSTLHJRSM-MRXNPFEDSA-N 360.454 2.689 0 50 FFAA CCCOc1ccc(-c2nc3s/c(=C\c4cccnc4)c(=O)n3n2)cc1 2695421 XAJIRDGJTSMFST-WJDWOHSUSA-N 364.430 2.550 0 50 FFAA CCOCCn1nc(C)nc1C[C@@H]1CCCN(c2nc3ncccc3o2)C1 1857677726 BFWNDFOLWWMILJ-HNNXBMFYSA-N 370.457 2.618 0 50 FFAA CCc1nc(-c2sc(-c3ncccn3)nc2CC)n([C@H]2CCOC2)n1 1857681966 KOPBGVJLHUGKND-NSHDSACASA-N 356.455 2.945 0 50 FFAA Cc1cccc2cc(-c3nccn3C[C@H]3Cc4nnc(C)n4C3)c(O)nc12 1857685280 GRGMQUHLMYJPOM-CQSZACIVSA-N 360.421 2.885 0 50 FFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@@H]1CCn2nccc2C1 1857698396 OZYLSNQTOFWUKR-OAHLLOKOSA-N 352.463 2.809 0 50 FFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1857724631 KYNUTDGWRORTAF-YLJYHZDGSA-N 374.444 2.523 0 50 FFAA Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875246212 AWXLZLWQECISCX-SJORKVTESA-N 363.483 2.515 0 50 FFAA C[C@H](NC(=O)c1ccc(OCC(F)F)nc1)c1ccc(-n2cncn2)cc1 134773116 KQPMYKGKZYUKRQ-LBPRGKRZSA-N 373.363 2.797 0 50 FFAA Cc1noc(CCNC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)n1 264150637 RZVUSCAPRSTGTA-UHFFFAOYSA-N 350.369 2.788 0 50 FFAA O=C(OCCc1ccc2c(c1)CCO2)c1cn(CCc2ccccc2)nn1 837913511 CFGSOAWHPCWVGO-UHFFFAOYSA-N 363.417 2.855 0 50 FFAA O=c1[nH]n(-c2ncnc3sc4c(c23)CCCC4)c(=O)c2ccccc12 821589 DRDOWLYODHPUSE-UHFFFAOYSA-N 350.403 2.563 0 50 FFAA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 1782172 OKXFFMHIJWGAJX-IBGZPJMESA-N 366.417 2.837 0 50 FFAA O=c1c2ccccc2cnn1Cc1n[nH]c(=S)n1-c1ccc(F)cc1 5906637 HUYDDIQIHYGAJN-UHFFFAOYSA-N 353.382 2.827 0 50 FFAA C[C@@H](NC(=O)N1CC(O)(C(F)(F)F)C1)c1ccc(-c2cncnc2)cc1 2325776127 PKWZQRUPSOUYAF-LLVKDONJSA-N 366.343 2.523 0 50 FFAA Cc1ccc([C@]23C[C@H]2CN(c2cc(N4CCC[C@@H](CO)C4)ncn2)C3)cc1 2325780831 ROOFBOKZVOPZBM-ZWCUEREDSA-N 364.493 2.772 0 50 FFAA CO[C@H]1CN2CCC[C@]2(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)C1 2325805382 DIXVEDNXPRMRMF-UYAOXDASSA-N 354.454 2.681 0 50 FFAA Cc1cccnc1CN(C)[C@@H]1CCCN(C(=O)c2ccnn2C(C)C)C1 2325839592 YSVJQNBJIQXUTN-QGZVFWFLSA-N 355.486 2.904 0 50 FFAA O=C(Cn1c(=O)sc2ccccc21)OCn1c(=O)sc2ccccc21 625615 WBNGRVMVMGELRR-UHFFFAOYSA-N 372.427 2.640 0 50 FFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(C2CCCCC2)s1 792739 OZHWFQYOUSBFJR-UHFFFAOYSA-N 370.434 2.821 0 50 FFAA COC(=O)c1nn(-c2cccc(C)c2C)c(Br)c1C(=O)OC 1095020 FDPMIGBUWZYITA-UHFFFAOYSA-N 367.199 2.825 0 50 FFAA Cc1cccc(N2C(=O)N(c3ccccc3C)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 1131264 DWUXOADNYZZIEE-ZWKOTPCHSA-N 356.447 2.916 0 50 FFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1OC 1456261 ZQGSRYFIDCABPL-KRWDZBQOSA-N 360.410 2.818 0 50 FFAA Cc1cccc(C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 4186457 PETCKTLXVOJJMM-GOSISDBHSA-N 361.438 2.964 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 4694704 FTVQGTCDYDSHOB-UXBLZVDNSA-N 356.197 2.658 0 50 FFAA COc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3)n2)cc1 4838504 SFBNKZLKGPEERN-UHFFFAOYSA-N 353.378 2.749 0 50 FFAA O=C(Nc1ccccc1F)c1cc(S(=O)(=O)N2CCCC2)cs1 6680573 PTPHEBPOWINNGK-UHFFFAOYSA-N 354.428 2.924 0 50 FFAA O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCC2)cs1 6680622 AZFIQWJRLIQMDG-UHFFFAOYSA-N 356.494 2.524 0 50 FFAA C[C@H]1C[C@@H](NC(=O)N2CCC3(CCNC3)CC2)CCN1Cc1ccccc1 417825824 BLESRUYNAMMWKZ-ICSRJNTNSA-N 370.541 2.825 0 50 FFAA CC(=O)N1CCC(C(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)CC1 114340945 YHFAAFSLBRLFKA-UHFFFAOYSA-N 363.421 2.822 0 50 FFAA CC(C)CN(Cc1cnn(C)c1)Cc1cn(CC(N)=O)c2ccccc12 55196432 MOXNHIMGLCWMBB-UHFFFAOYSA-N 353.470 2.518 0 50 FFAA C[C@H]1Cc2cccc3c(O)c(C(=O)NCc4ccc(F)cc4)c(=O)n1c23 170624679 RMTOXLCFDKCNMA-NSHDSACASA-N 352.365 2.893 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1)c1cccs1 23340355 ZYTIXROYPLTAIW-DJJJIMSYSA-N 357.479 2.905 0 50 FFAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C/C(C)=C/c1cc(Cl)ccc1O 65428037 VNZHWUUWVFQFMJ-KQWWGNALSA-N 352.862 2.626 0 50 FFAA COc1cccc(CN2CCN(C(=O)Cc3ccccc3OC)CC2)c1 20274193 KPXHXPUUYYIEOE-UHFFFAOYSA-N 354.450 2.591 0 50 FFAA O=C(Cc1ccc(F)cc1)NCC1CCN(c2ncnc3[nH]ccc23)CC1 1506420991 RTDMZXINDOXEPK-UHFFFAOYSA-N 367.428 2.672 0 50 FFAA COC(=O)[C@@H]1C[C@@H](OC)CN1CCCCCn1c(C)nc2ccccc21 328594087 OQEHXHWAUBJVEX-APWZRJJASA-N 359.470 2.777 0 50 FFAA COc1cc(CN2CC[C@H](NC(=O)[C@@H]3CCC(F)(F)C3)C2)cc(OC)c1 331396422 GFJYPSHUUGPLEL-CABCVRRESA-N 368.424 2.830 0 50 FFAA CN1CCC(Cc2noc(-c3cn(Cc4cccc(Cl)c4)nn3)n2)CC1 72174085 NCOZSUXDFRUETH-UHFFFAOYSA-N 372.860 2.914 0 50 FFAA CCCN1CCC(N2CCN(CCCc3ccccc3)[C@H](CCO)C2)CC1 39387788 VNQFJRSHXRQEBM-HSZRJFAPSA-N 373.585 2.862 0 50 FFAA COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@](C)(C(=O)O)C3)ccc21 237133839 MCHGIQCSSSCPEO-FQEVSTJZSA-N 358.438 2.841 0 50 FFAA CCC[C@H]1CN(Cc2nccn2-c2ccc(OC)cc2)C[C@@H]1NC(C)=O 219499320 LDGDSKITWMSDDV-LPHOPBHVSA-N 356.470 2.618 0 50 FFAA CC(C)(CC1Cc2ccccc2C1)NC(=O)CCc1cc2n(n1)CCNC2 72438442 VDMWYCCUYRVTPU-UHFFFAOYSA-N 366.509 2.619 0 50 FFAA CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2ccncn2)C1 219670576 PTRBWWILVFOISO-INIZCTEOSA-N 355.438 2.912 0 50 FFAA Cn1nnc(-c2ccc(-n3ccnc3-c3cnc(-c4ccco4)nc3)cc2)n1 77421172 YMUXFKFTHRIRDI-UHFFFAOYSA-N 370.376 2.780 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCCN1Cc1ccc(F)cc1 71749903 GNFCUIPKWXJTQZ-LJQANCHMSA-N 358.461 2.932 0 50 FFAA Cc1nc2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)cc2nc1C 219903533 CSQFYFWACDXFKN-IEBWSBKVSA-N 355.438 2.561 0 50 FFAA O=C(c1scc2c1CCCC2)N1CCC(C(=O)O)(n2cccn2)CC1 72409588 PYOLYUALHJMITJ-UHFFFAOYSA-N 359.451 2.540 0 50 FFAA CCOC(=O)c1ccn(-c2cccc(CN=c3[nH]c4ccccc4[nH]3)c2)n1 480794921 LDLIATGWVFIMQX-UHFFFAOYSA-N 361.405 2.959 0 50 FFAA O=S(=O)(NCc1ccccc1)NC[C@@H](c1ccccc1)N1CCCCC1 71759963 IVGLHHTUWQRGKO-FQEVSTJZSA-N 373.522 2.838 0 50 FFAA C[C@H](NC(=O)c1cccnc1S)[C@H](O)c1ccc(Br)cc1 154130044 OZOANJQUIQLCCD-ZANVPECISA-N 367.268 2.985 0 50 FFAA O=C(N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O)c1cccc2cccnc12 72167931 QWGYBARLYNAEGS-RTWAWAEBSA-N 373.456 2.702 0 50 FFAA Cc1nccn1[C@@H](C)C(=O)N1CCN(c2nc3ccccc3s2)CC1 72477202 YQAVWIPOBMODQM-ZDUSSCGKSA-N 355.467 2.711 0 50 FFAA CC[C@H](O)c1cc2n(n1)CCN(Cc1cc(F)ccc1-n1cccn1)C2 219888002 GWEXUNKUWSLVRE-IBGZPJMESA-N 355.417 2.667 0 50 FFAA CCN1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 74906427 YOOYOJUDPSGAKG-GFCCVEGCSA-N 363.849 2.798 0 50 FFAA Cc1ccc(-n2nnc(C(=O)N3CCO[C@@H](c4ccco4)C3)c2C)cc1 176730766 VFVJIBAJMYJLAM-QGZVFWFLSA-N 352.394 2.691 0 50 FFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17076679 WMJCNKBIEZGBFB-SSAUXNHXSA-N 374.525 2.990 0 50 FFAA CCCc1nnsc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 220235407 RLEJEODFLAJZQJ-UHFFFAOYSA-N 356.451 2.617 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)cc1 221183471 UCHACLMFGQNQDG-KNGAYFSHSA-N 365.473 2.790 0 50 FFAA COc1cccc2c1OCCCN(C(=O)NCc1cc(C3CC3)n[nH]1)C2 426726920 QQQRQWSTZSMKQD-UHFFFAOYSA-N 356.426 2.790 0 50 FFAA CCc1noc(CNC(=O)N2CCC(COc3ccc(OC)cc3)CC2)n1 426477887 JMHCTYWJVREQCS-UHFFFAOYSA-N 374.441 2.641 0 50 FFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cn2cc(Cl)cnc2n1 82096472 APJDUFKXAQJMCS-INIZCTEOSA-N 369.856 2.511 0 50 FFAA CC(C)c1nc(CNC(=O)Nc2ccc(-c3nnn(C)n3)cc2)cs1 96148642 BPXGDLRLXGUQLH-UHFFFAOYSA-N 357.443 2.779 0 50 FFAA O=C(NCCc1noc([C@@H]2CCCO2)n1)c1c[nH]nc1C1CCCCC1 91819086 RYBXLSJTEFMROK-AWEZNQCLSA-N 359.430 2.664 0 50 FFAA Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95381218 VJIMESHJDSGFRC-RTBURBONSA-N 352.482 2.774 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cc1 426584122 UCHACLMFGQNQDG-MXNKGDRCSA-N 365.473 2.790 0 50 FFAA CSCC1CCN(C(=O)CN2C[C@@H](Cc3ccccc3)CC2=O)CC1 95500481 ZTQXWPNCPYFUTQ-SFHVURJKSA-N 360.523 2.679 0 50 FFAA CN(C)c1nc(CNC(=O)c2cnc(Nc3ccccc3)nc2)cs1 91657426 LVKXTSDYSMFFMO-UHFFFAOYSA-N 354.439 2.673 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)NCc1nncn1C1CCCCC1 91593002 UNFHRLLHKZZFRZ-UHFFFAOYSA-N 364.453 2.963 0 50 FFAA CC(C)n1cnnc1CCNC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 96153766 WCSQNFHUXSJHEN-KRWDZBQOSA-N 373.457 2.781 0 50 FFAA CS[C@@H](C)CCN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 91468488 YXKHHFDGDQEAIK-AWEZNQCLSA-N 362.543 2.637 0 50 FFAA Cc1nccn1Cc1nnc([C@H]2CCCN(Cc3ccccc3F)C2)n1C 95364272 LVZIBSZNDDRXCC-KRWDZBQOSA-N 368.460 2.887 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC1CCN(Cc3ccccn3)CC1)C2 95521183 KRXATLCMAOAZEH-QGZVFWFLSA-N 367.493 2.896 0 50 FFAA Cc1nnc2n1C[C@@H](CNc1nc(-c3cccnc3)nc3c1CCC3)CC2 269041812 MVOIWRKYCJRITD-CQSZACIVSA-N 361.453 2.602 0 50 FFAA COc1ccc(CN(C)c2cc([C@H]3C[C@@H](O)C3)ncn2)c2cccnc12 244673916 HXZBEGHOZBPXMI-GASCZTMLSA-N 350.422 2.908 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(O)nc2cc(F)ccc12 299749199 JKRWVCTYEIWPBB-KRWDZBQOSA-N 366.348 2.731 0 50 FFAA CCN1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cn3)cc2)[C@H](C)C1=O 534631032 AEGKWQZPPKTMFV-CQSZACIVSA-N 365.433 2.644 0 50 FFAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc(Cl)c2cccnc12 262987189 PXIZEMQVLGQBMS-AWEZNQCLSA-N 362.813 2.745 0 50 FFAA CCN(CCO)C1CCN(c2nc(C)c3cc4c(cc3n2)CCC4)CC1 299772185 ZSFGUIGOGITZCS-UHFFFAOYSA-N 354.498 2.710 0 50 FFAA Cc1cc(C)n2c(C(=O)N[C@H](C)c3nc4c(s3)CCCC4)nnc2n1 299763713 ZSJHUDIWXYMQGP-LLVKDONJSA-N 356.455 2.567 0 50 FFAA C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCc2nnc(N)s2)c1 299756632 GFRNKMMOKZCWDG-GFCCVEGCSA-N 360.487 2.816 0 50 FFAA Cc1cccc2nc(CCN(C)C(=O)NC[C@H](C)N3CCCCC3)[nH]c12 584885952 UZCJPMVRGLMORC-INIZCTEOSA-N 357.502 2.930 0 50 FFAA Cc1ccc2[nH]c(C(=O)N(C)C[C@H]3OCC[C@H]3c3nc[nH]n3)cc2c1C 952887569 AGAGISLSWRVSAZ-CXAGYDPISA-N 353.426 2.548 0 50 FFAA Cc1nn([C@H]2CCOC2)cc1C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1 1875271762 DHMASDWMMNCSMB-FUHWJXTLSA-N 368.437 2.746 0 50 FFAA Cc1c(CC(=O)NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12 1875390821 QCRBNNMCLPLOGP-UHFFFAOYSA-N 354.431 2.829 0 50 FFAA NC(=O)c1cnccc1N1CCN(c2ncc(-c3ccccc3)s2)CC1 1875361239 QWPQXXRPFMPYLB-UHFFFAOYSA-N 365.462 2.631 0 50 FFAA Cc1nsc(N2CCC[C@H](NC(=O)C[C@H]3OCCC3(C)C)[C@H]2C)n1 1875405701 MOYODAPCUQKCMT-KWCYVHTRSA-N 352.504 2.525 0 50 FFAA O=C(Nc1ccccc1CN1CCOCC1)c1ccc(CN2CCCC2)o1 952973416 HBCFZNVKKDZTGK-UHFFFAOYSA-N 369.465 2.960 0 50 FFAA O=C(c1ccco1)N1CCCN(Cc2cc(F)ccc2-n2cccn2)CC1 952984825 NRSZSMFKNFGPSK-UHFFFAOYSA-N 368.412 2.953 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2F)N(C)C)cc1C 952982514 XRWHCZGJXCUFHS-LJQANCHMSA-N 373.428 2.960 0 50 FFAA CC(=O)N1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C(F)(F)F 886059615 CSJZLCSZXQMOJN-LSDHHAIUSA-N 354.372 2.776 0 50 FFAA Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@H]2CCCC23CCOCC3)c1 886056887 HBALPHGIYXMQED-INIZCTEOSA-N 366.483 2.869 0 50 FFAA CCc1nc2ccccc2n1CC(=O)NC1CCN(c2nccs2)CC1 281243991 LARTVQBELMRUIW-UHFFFAOYSA-N 369.494 2.840 0 50 FFAA O=C(c1cccnc1N1CCCC1)N1CC[C@@H](OCc2ccncc2)C1 172248175 VJOBYVCJZISJRJ-QGZVFWFLSA-N 352.438 2.508 0 50 FFAA O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)OCCO2 187663189 POYZMIIOWITRHH-BLLLJJGKSA-N 359.344 2.671 0 50 FFAA O=C1Nc2ccccc2CC[C@@H]1N1CCn2c(nnc2-c2ccccc2)C1 192050930 JVBSTCDBNNXCFH-SFHVURJKSA-N 359.433 2.714 0 50 FFAA CCO[C@@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1 194337969 IHEHGUNJNHSFGH-HXUWFJFHSA-N 353.466 2.940 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)ccc1F 747913096 YQXLEOHLUVIDGD-UHFFFAOYSA-N 358.373 2.500 0 50 FFAA Cc1cccn2c(=O)cc(CN(C)Cc3nc4ccc(F)cc4[nH]3)nc12 1529197591 STIDWUGGCKPUSV-UHFFFAOYSA-N 351.385 2.650 0 50 FFAA CC(C)(C)CN1C[C@H]2CN(CCc3c[nH]c4ccccc34)C[C@@]2(CO)C1 1772806347 WYAJVXQKQBTYNI-GCJKJVERSA-N 355.526 2.983 0 50 FFAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775981857 XIBKTRXVUMFLFT-OAQYLSRUSA-N 361.449 2.775 0 50 FFAA CC1=C(CN2C[C@@H]3CN(Cc4noc(C)n4)C[C@]3(CO)C2)C(C)(C)CCC1 1772809091 LYADVRJLIARKOX-UTKZUKDTSA-N 374.529 2.631 0 50 FFAA COc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c(OC)c1 5388195 WQPBVUIWJMNNOM-UHFFFAOYSA-N 365.389 2.566 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1C/C=C/c1ccccc1 11843456 XHIFPTGLEVYFHQ-MVHVFESUSA-N 374.448 2.779 0 50 FFAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3cc(C)ccc3C)CC2)O1 11975527 XRBSXQWEUAOHOC-IBGZPJMESA-N 360.498 2.580 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc1 12224362 GRSNYOZDURDHEN-OAQYLSRUSA-N 367.493 2.913 0 50 FFAA CC(C)Cc1nnc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)s1 12382397 FOYDMEOXFUZMQS-UHFFFAOYSA-N 352.504 2.960 0 50 FFAA CCOC(=O)CCNC(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C 12586180 JWDKKBADSDEWSF-CQSZACIVSA-N 358.442 2.803 0 50 FFAA COCCn1cnc2sc3c(c2c1=O)CC[C@@H](NC1CCCCC1)C3 14879098 UJDMQGGGDUUXSC-CQSZACIVSA-N 361.511 2.884 0 50 FFAA CN(c1cccc(C(=O)Nc2ccon2)c1)S(=O)(=O)c1ccccc1 16621984 RZMJHSLQIHGFLG-UHFFFAOYSA-N 357.391 2.752 0 50 FFAA CC[C@H]1CCCCN1c1ccc(-c2ccc(C)c(S(N)(=O)=O)c2)nn1 16647754 PRNSYYDUQRPVSI-HNNXBMFYSA-N 360.483 2.868 0 50 FFAA Cc1cccc(NC(=O)[C@H]2CCCN2CC(=O)N2CCc3ccccc32)c1 16651251 OZFMKFLCZVPIKJ-HXUWFJFHSA-N 363.461 2.987 0 50 FFAA O=C1NC[C@H](NCc2cc(F)ccc2F)n2nc(-c3ccccc3)cc21 169754481 NHNYXHWPWIXPKR-GOSISDBHSA-N 354.360 2.860 0 50 FFAA COCCN(C)C(=O)C[C@@H]1CCCN(c2nc3cc(OC)ccc3o2)C1 1857706498 VZBZRXHWKHPJRN-AWEZNQCLSA-N 361.442 2.548 0 50 FFAA CCOc1ccc2nc(N3C[C@@H](C(=O)NC4CCC4)CC3=O)sc2c1 1857729870 VCJHRFPBFCNUBT-NSHDSACASA-N 359.451 2.717 0 50 FFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccc(C)cc1 236687367 KYGPMXZNLGZWOR-AEFFLSMTSA-N 360.454 2.666 0 50 FFAA O=C1C[C@@]2(CCN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)C2)CN1 333163277 OBVDTLXXDNIAEW-YADHBBJMSA-N 369.509 2.636 0 50 FFAA O=C(c1ccccc1)N1C[C@@H]2CC[C@H](C1)CN2C(=O)CCc1ccccn1 247823727 IGTNBYCVXIQCCO-XLIONFOSSA-N 363.461 2.777 0 50 FFAA Cn1nc(C(=O)Nc2ncc(Br)s2)cc1C(F)(F)F 2778628 YVWOFGVKPYGTOJ-UHFFFAOYSA-N 355.139 2.910 0 50 FFAA COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccncc2)c1 705319 UJLFWCCXPKZSMY-MRXNPFEDSA-N 365.311 2.700 0 50 FFAA Cn1cc(I)c(C(=O)Nc2cccc(Cl)c2)n1 4751247 JIAVZAUYUNOJHB-UHFFFAOYSA-N 361.570 2.930 0 50 FFAA O=C(Nc1nccs1)C1CCN(C(=O)c2cccnc2C2CC2)CC1 2325733077 NPKCSHLEZWETKN-UHFFFAOYSA-N 356.451 2.906 0 50 FFAA CC[C@@H](CNC(=O)Cc1ccc(F)cn1)NC(=O)C[C@H](C)c1ccco1 2325794330 YSZMBPGEUGRATF-ZFWWWQNUSA-N 361.417 2.561 0 50 FFAA O=C(N[C@@H]1CCNc2ncccc21)[C@H]1[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 2325799586 JWHYOEBMJVRWRE-BWPNAZKDSA-N 362.477 2.823 0 50 FFAA CCc1cccc2ccc(C(=O)N3CCC4(CC3)CN(C)C(=O)O4)nc12 2325817899 BRGZSIYZPLJUDS-UHFFFAOYSA-N 353.422 2.854 0 50 FFAA CC(C)c1nn(C)cc1C(=O)NCC1CN(C(=O)[C@H](C)C2CCCC2)C1 2325843106 UNIGQGRRPIUCFS-CQSZACIVSA-N 360.502 2.558 0 50 FFAA O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC[C@@H]1CCCO1 811881 AXSJNRQJOARBHJ-AWEZNQCLSA-N 352.390 2.761 0 50 FFAA COc1cccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c1 915020 BIOMZRBOOIMBTP-HNNXBMFYSA-N 357.387 2.818 0 50 FFAA O=C(NCCCn1ccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2816267 KMIYIADPPURUNQ-SILNSSARSA-N 374.444 2.861 0 50 FFAA COc1ccc(-c2nc(SC)n(S(=O)(=O)c3ccccc3)n2)cc1 2846393 YBRGSFBFGNUDDE-UHFFFAOYSA-N 361.448 2.913 0 50 FFAA Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)Nc1ccccc1 4809477 UBIXGNPNIBETIR-KRWDZBQOSA-N 374.462 2.705 0 50 FFAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c(Cl)cc1OC 4810677 YCLAGGCMHFGIGE-AWEZNQCLSA-N 354.790 2.548 0 50 FFAA O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 4858634 WVYOMKWPPCQJDQ-AWEZNQCLSA-N 362.426 2.865 0 50 FFAA CC(C)OCCCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2 6661572 GVAAQJNITNJPAX-UHFFFAOYSA-N 369.487 2.635 0 50 FFAA CC(C)Oc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 20210212 PQYHESKYAVRBTN-UHFFFAOYSA-N 368.481 2.551 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](NCC2CCCCC2)CN1C1Cc2ccccc2C1 23363247 BGDXVRAPGJKQTI-CTNGQTDRSA-N 355.526 2.513 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)n1 9620318 KJQMNXGXPVEMNV-UHFFFAOYSA-N 359.861 2.833 0 50 FFAA O=C(Nc1ccccc1)C1=C(N2CCCC2)c2ccccc2S1(=O)=O 10823873 FWGKDOPYBMYQRA-UHFFFAOYSA-N 354.431 2.877 0 50 FFAA Cc1cc(C)nc(-c2cccc3c2O[C@@H](CNC(=O)c2cc(C)on2)C3)n1 20598585 SWLZNCDPKXMCRZ-OAHLLOKOSA-N 364.405 2.790 0 50 FFAA CN(C(=O)c1cccnc1S)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 119521942 PIZRYMOJUYBLFY-LBPRGKRZSA-N 368.867 2.624 0 50 FFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C(C)C)n3ncnc3n2)C1 67713805 ROZSWVGTTHSFSM-CQSZACIVSA-N 367.457 2.553 0 50 FFAA COC(=O)CC1CCN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1 61721723 HXTFTULCMLXRLL-UHFFFAOYSA-N 356.422 2.646 0 50 FFAA COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)nc1 456978356 HHOFSFBILZMRCY-LJQANCHMSA-N 351.450 2.859 0 50 FFAA CC1(C)[C@]2(C(=O)NCCCc3nc4ccccc4o3)CC[C@@]1(C)OC2=O 67676688 RKHYXZUVTABCLI-UXHICEINSA-N 356.422 2.999 0 50 FFAA CN1CCC(Oc2ccc(CNC(=O)COc3ccc(F)cc3)cc2)CC1 65362684 KBVZAFNBJGCDNU-UHFFFAOYSA-N 372.440 2.994 0 50 FFAA CCc1nc(-c2ccc(C(=O)N3CC[C@H](CN4CCCC4)C3)cc2)n[nH]1 126546733 PPWDOWHHGAONIM-OAHLLOKOSA-N 353.470 2.592 0 50 FFAA O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccccc1)NCc1ccccn1 61720664 BFEAYDLPCUBKGH-OAQYLSRUSA-N 372.428 2.965 0 50 FFAA Cc1nnc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)s1 2790232 JLIZYXOKSZLZCP-ZCFIWIBFSA-N 358.265 2.697 0 50 FFAA CCn1ncc(Br)c1C(=O)N[C@H](Cn1cccn1)C(C)(C)C 2780650 XQYVIRZPUTVMFT-GFCCVEGCSA-N 368.279 2.707 0 50 FFAA NS(=O)(=O)c1ccc2c(c1)N(Cc1ccccc1OC(F)F)CCC2 174683099 OXIAVPAPGVJMLB-UHFFFAOYSA-N 368.405 2.888 0 50 FFAA CCOCCCN1CC[C@@H](N2C(=O)CN(Cc3ccccc3)C2=O)[C@@H](C)C1 242339348 ZHBJIYXTOGBAOQ-PKOBYXMFSA-N 373.497 2.588 0 50 FFAA CC[C@@H]1CN(CCC(=O)NCc2ccncc2)Cc2cc(OC)ccc2O1 12205806 BKWUSZXSFPLEPX-GOSISDBHSA-N 369.465 2.770 0 50 FFAA Cn1cc(CC(=O)NCCOc2cccc(C(=O)O)c2)c2ccccc21 219425270 TZSFRHZXMFPVGW-UHFFFAOYSA-N 352.390 2.614 0 50 FFAA CN1CC2(CCNCC2)C[C@@H]1C(=O)N1CCC2(CCc3ccccc32)CC1 72411468 WIXDRICRWVSIKX-HXUWFJFHSA-N 367.537 2.567 0 50 FFAA CN(C)c1ccc2cc(NC(=O)[C@@H]3CC(c4ccncc4)=NO3)ccc2n1 252498940 RRKSDRPCGXJTAE-SFHVURJKSA-N 361.405 2.828 0 50 FFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 77535708 QCQYHPXTGRISKJ-MRXNPFEDSA-N 352.438 2.586 0 50 FFAA CN1CCN(C(=O)C(C)(C)c2cccs2)C[C@@H]1c1nc(C2CC2)no1 370268669 ZETFXUNMLXZIHV-CYBMUJFWSA-N 360.483 2.801 0 50 FFAA O=C1CCCN1CC[C@H]1CCCCN1Cc1cnc(-c2ccccn2)nc1 77285581 ICDBAGAXTNWYRJ-GOSISDBHSA-N 365.481 2.906 0 50 FFAA CNC[C@H]1CCCN(C(=O)c2sc(C)c(Br)c2OC)C1 159109796 PNCGCNPKTMJFMY-SNVBAGLBSA-N 361.305 2.899 0 50 FFAA Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCCC4)ncn3)CC2)c1 82230710 VQVJERMNYRSGDC-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA Cc1nc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)sc1C 426537784 WDAWIUYRDHHTRS-SNVBAGLBSA-N 360.439 2.825 0 50 FFAA Cc1ccccc1[C@]1(CC(=O)NCCc2cnn[nH]2)CCOC(C)(C)C1 426674385 ZEGSSTGJCABCMN-FQEVSTJZSA-N 356.470 2.689 0 50 FFAA CC(C)CN1C[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)CCC1=O 426550634 OFWLASYMKUQPTI-IBGZPJMESA-N 357.498 2.757 0 50 FFAA Cc1cc(N2CCCN(C(=O)NCc3nc4ccccc4o3)CC2)ccn1 426697620 YLPAFYYPPSWVQW-UHFFFAOYSA-N 365.437 2.953 0 50 FFAA O=C(O)Cn1nccc1[C@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 426691302 OHGJMNFVCBUGIO-AWEZNQCLSA-N 369.450 2.870 0 50 FFAA C[C@H](NC(=O)c1ccccc1-c1ncc[nH]1)c1ccc(S(C)(=O)=O)cc1 97425461 NOLIBZQMFQOTIZ-ZDUSSCGKSA-N 369.446 2.971 0 50 FFAA CN(C)c1cccc(NC(=O)N2C[C@H]3C[C@@H](C2)[C@@H]2CCCC(=O)N2C3)c1 96149479 VPNOKMQDMIKGKL-VKJFTORMSA-N 356.470 2.617 0 50 FFAA Cc1ncc(S(C)(=O)=O)c(N[C@@H](C)c2ccccc2-n2cccn2)n1 95375430 KPOLPDKPHVPIGO-LBPRGKRZSA-N 357.439 2.547 0 50 FFAA CN1CCN(C(=O)c2cc(F)ccc2OCCCN)C[C@H]1c1ccccc1 426602334 DGLSYWHEUGILQX-IBGZPJMESA-N 371.456 2.682 0 50 FFAA CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1 239672642 BUKGYQIVDFZTHW-RBUKOAKNSA-N 358.482 2.638 0 50 FFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)CN(C)Cc2ccncc2)C1 92061633 PCUXWBUUWBDPCH-HXUWFJFHSA-N 359.470 2.563 0 50 FFAA CN1CC2(CCC1=O)CCN(C(=O)c1cccc(OC(F)F)c1)CC2 91847127 MSTBVOHBOFXWOD-UHFFFAOYSA-N 352.381 2.763 0 50 FFAA Cc1ccc([C@H]2CN(c3cc(C(N)=O)ccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95371968 NXAHCJCGEHJNPM-HMXCVIKNSA-N 362.477 2.556 0 50 FFAA O=S(=O)(Nc1ccc(F)cc1-c1ccc(F)cc1)N1CCOCC1 163399631 NTVWPOLFCMXKAF-UHFFFAOYSA-N 354.378 2.621 0 50 FFAA CN(C)[C@@H](C(=O)N1CCCN(Cc2ccncc2)CC1)c1ccc(F)cc1 95353927 XRLGGPOZIJTWNG-HXUWFJFHSA-N 370.472 2.558 0 50 FFAA CCc1ccnc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 181740208 DSSQQKZMVSYLRK-UHFFFAOYSA-N 351.450 2.987 0 50 FFAA Cn1cccc1-c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]n1 91829610 IJFGAAKUPIGKRG-UHFFFAOYSA-N 360.421 2.573 0 50 FFAA Cc1cccc(Nc2nc(N)nc(CN3CCC[C@]4(CCOC4)C3)n2)c1 95352364 SSYRZSJHXXJHHM-IBGZPJMESA-N 354.458 2.508 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1Cc2ccccc2S1 95357111 BHXMUVZPFIOFBJ-OAHLLOKOSA-N 352.419 2.807 0 50 FFAA c1ccc(OCCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1 91986797 KHKUESFRXGJMLE-UHFFFAOYSA-N 352.442 2.535 0 50 FFAA Cc1ccc(C2(O)CCN(C[C@@H]3CC(c4ccccc4)=NO3)CC2)nc1 244758082 OSANBVUXWGBNEA-SFHVURJKSA-N 351.450 2.867 0 50 FFAA CN(C)C1(CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)CCOCC1 244723772 MHDPIDPPAJMFCV-UHFFFAOYSA-N 365.905 2.781 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)N3CC(N4CCCC[C@@H]4C)C3)CC2)n1 534631122 AKBCAAGDYZYSLX-INIZCTEOSA-N 359.518 2.548 0 50 FFAA COCCN1CCC(CN(C)C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1 299759740 RBXGQBKQNRFCFP-UHFFFAOYSA-N 359.474 2.693 0 50 FFAA Cc1nc(O)cc(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 299796494 NSWJXQCJRFBAAR-UHFFFAOYSA-N 356.382 2.631 0 50 FFAA O=C(NCCN1CCC[C@H](CO)C1)Nc1ccc(Oc2cccnc2)cc1 299790705 VLZIDZUZMJUQIY-INIZCTEOSA-N 370.453 2.700 0 50 FFAA O=S(=O)(NCc1nncn1C1CCCCC1)c1ccc(Cl)s1 825567104 PRMDRDMCZQEULK-UHFFFAOYSA-N 360.892 2.977 0 50 FFAA O[C@H]1CCCN(c2ccnc(NCCCc3nc4ccccc4s3)n2)C1 584899922 COIXBLUZNOHVLB-AWEZNQCLSA-N 369.494 3.092 0 50 FFAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc(CN3CCCC3)o2)n1 825264557 VQBOBLHSVOBALT-UHFFFAOYSA-N 368.359 2.923 0 50 FFAA O=C(NC1(C(=O)O)CCCC1)N1CCC([C@H](O)CCc2ccccc2)CC1 670448730 KUGJDGMIUKELKI-GOSISDBHSA-N 374.481 2.799 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(C)c3nc(N)sc3c1)C2 670471193 CVGPAIZULSRFLX-ZDUSSCGKSA-N 369.446 2.929 0 50 FFAA CCN(C)Cc1cccc(CNC(=O)c2cc(C[C@H]3CCCCN3)on2)c1 1875277072 DGRYBWDMBWWFED-GOSISDBHSA-N 370.497 2.741 0 50 FFAA O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H](O)Cc1ccccc1 1875270945 QHPDRMBKBYIUSY-OALUTQOASA-N 355.434 2.572 0 50 FFAA C[C@@H]1C[C@@H](CO)N1C(=O)N=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)s1 1875301664 ORQMEHBUAVYELN-KCJUWKMLSA-N 372.372 2.633 0 50 FFAA COC(=O)c1cc(OC[C@H]2C[N@]2Cc2cnn(C)c2)c2ccccc2c1 1875385248 PHMLNELPXRBRRK-HXOBKFHXSA-N 351.406 2.623 0 50 FFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C2(N)CC2)c1 1875304341 HUKQRRZXWNOUAP-KRWDZBQOSA-N 353.422 2.540 0 50 FFAA O=C(C/C=C/Cc1ccccc1)N1CC[C@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875401507 JZGUQYQUARHCJD-FPZRGXOSSA-N 352.438 2.999 0 50 FFAA Cc1nc(=N[C@H]2CCN(C(=O)[C@H]3CCC3(C)C)CCC2(F)F)s[nH]1 1875407620 DZOJIXRNLGDNOX-NEPJUHHUSA-N 358.458 2.743 0 50 FFAA Cc1ccc2ncc(CN3CC[C@@H](Oc4ccnc(CN(C)C)c4)C3)n2c1 886056926 TYPQIVNYWCKMSR-HXUWFJFHSA-N 365.481 2.753 0 50 FFAA Ic1cnn(Cc2nc(-c3cccs3)no2)c1 16527223 GASPDULMZHCYDA-UHFFFAOYSA-N 358.164 2.648 0 50 FFAA O=C(Nc1cccc(N2CCOC2=O)c1)c1cnc(-c2ccccn2)nc1 1354088844 HEDFPUCLSCCYFP-UHFFFAOYSA-N 361.361 2.748 0 50 FFAA NC(=O)c1cc(S(=O)(=O)Nc2ccc3cc(C4CC4)[nH]c3c2)ccc1O 1083818488 YUGALILHRFUCAY-UHFFFAOYSA-N 371.418 2.651 0 50 FFAA in-vitro CC(C)n1ncc2cc(CNC[C@@H]3CCO[C@H]3c3ccnn3C)cnc21 275622517 RQXOHCMHCPGWOS-MAUKXSAKSA-N 354.458 2.613 0 50 FFAA Cn1nccc1C1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)CC1 191022333 BMJQBWYOKVEQJT-INIZCTEOSA-N 358.417 2.972 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)NCc3ccc(CO)c(F)c3)c2O1 192635125 WXXSDXPNRJVMOH-UHFFFAOYSA-N 365.426 2.510 0 50 FFAA Cc1ccc(N2CCC[C@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2=O)cc1 789961940 DXBKORPFEIFFKK-KRWDZBQOSA-N 364.405 2.904 0 50 FFAA CCc1ccc(-c2cc(C(=O)N(C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)n[nH]2)cc1 1704311525 AEZAFRWYTNKPRM-IXDOHACOSA-N 366.465 2.626 0 50 FFAA CN1C[C@]2(CCCN(c3cc(C(=O)N4CCCCC4)ccn3)CC2)OC1=O 1704339995 AYASMPWUDJVJDN-HXUWFJFHSA-N 372.469 2.519 0 50 FFAA COc1cc(OCc2ccccc2)ccc1CN1CC[C@H](O)[C@H](C(=O)O)C1 1616075500 ASGNSCCPIDWWJX-MOPGFXCFSA-N 371.433 2.542 0 50 FFAA Cc1noc(C)c1C(=O)N1CCCN(c2cnc3ccccc3n2)CC1 1772815513 NBBUEDZUNGCGTM-UHFFFAOYSA-N 351.410 2.587 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N(C)CCO)cc3o2)cc1OC 11842763 QAZPDXBUVRFPLQ-UHFFFAOYSA-N 370.405 2.500 0 50 FFAA CC[C@@H](COC)NC(=O)c1cc(COc2cccc3cnccc23)on1 12074046 VTXSICYRTJHOEO-AWEZNQCLSA-N 355.394 2.957 0 50 FFAA COc1cccc(CCNC(=O)c2nn(C)c3c2C[C@@H](C)O[C@H]3C)c1F 1857532749 OYOGJEQENSAXCU-NEPJUHHUSA-N 361.417 2.563 0 50 FFAA OCCOc1ccccc1-c1nccn1C1CCN(C2CCOCC2)CC1 1857721177 CUCMNAYPPJATPA-UHFFFAOYSA-N 371.481 2.737 0 50 FFAA CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 125148718 KQAIPPXMBUNJRX-QGZVFWFLSA-N 355.369 2.526 0 50 FFAA COc1ccc(OCCC(=O)NC[C@](C)(CO)Cc2ccccc2)cc1 241926411 UFZZNBYKAQYIAG-OAQYLSRUSA-N 357.450 2.822 0 50 FFAA CCn1ccnc1CN(C(=O)c1ccc(F)cc1)[C@H]1CC12CCNCC2 370165552 WNLOMQWMTOAXEN-KRWDZBQOSA-N 356.445 2.827 0 50 FFAA CN(C)c1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(Cl)cn3)C1)CC2 1704298318 GQMUTCAAPPOIOZ-LJQANCHMSA-N 371.872 2.711 0 50 FFAA CCc1ccccc1C(=O)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704299930 VEOGSILDAUVPTR-DENIHFKCSA-N 367.445 2.770 0 50 FFAA Cc1nc(SC2CCCC2)sc1CC(=O)N[C@H]1Cc2cncn2C1 857884236 FLBQETLVJMXBGR-LBPRGKRZSA-N 362.524 2.966 0 50 FFAA CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 884837 RMNJXAIRKSKSPS-UHFFFAOYSA-N 362.426 2.539 0 50 FFAA CCOC(=O)c1ccccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O 916931 HUWJGXNBQBUARJ-MRXNPFEDSA-N 353.378 2.625 0 50 FFAA NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 4019126 MAVGXAKPWNROPG-MNOVXSKESA-N 362.451 2.721 0 50 FFAA Cn1ncc(C(=O)NC[C@H]2CCC3(CCC3)[C@@H]2O)c1Cc1ccccc1 2325782606 NIXIRVQSSFZQND-VQIMIIECSA-N 353.466 2.682 0 50 FFAA COCc1cccc(CC(=O)NC[C@@]23CCC[C@@H]2N(C(C)=O)CCC3)c1 2325848622 LMBKGCKBYCLKIL-FPOVZHCZSA-N 358.482 2.673 0 50 FFAA Cc1cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)C2)c(C)cn1 2325875106 GHZPGDGZZDTZPB-DOEAQHAXSA-N 355.482 2.808 0 50 FFAA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 6703744 HLLOVXUULOXQRR-MRXNPFEDSA-N 368.433 2.873 0 50 FFAA O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1cccc(F)c1 20101025 SLBGARYKNXLZCE-GOSISDBHSA-N 351.381 2.771 0 50 FFAA Clc1ccc(-c2nn3c(CN4CCOCC4)nnc3s2)cc1Cl 57524371 MQTMPZLSLLFKLM-UHFFFAOYSA-N 370.265 2.992 0 50 FFAA CCc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCCCn3nnnc32)c1C 55386676 DJVKTRAEGMFJGH-HNNXBMFYSA-N 365.441 2.636 0 50 FFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)C1(c2ccc(OC)cc2)CC1 55414584 OBPBIWOVDSAEHS-GOSISDBHSA-N 354.450 2.922 0 50 FFAA CCN(CC)[C@@H]1CCN(Cc2cccc(C(=O)Nc3nccn3C)c2)C1 67655019 CYYQQICBRJYURT-GOSISDBHSA-N 355.486 2.589 0 50 FFAA CCC(=O)N[C@H](C)C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67588557 SDQQCGKBCGUMOO-CYBMUJFWSA-N 372.444 2.837 0 50 FFAA OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1Cc1ccsc1 23373762 KPDBUAWWBWZLSD-KRWDZBQOSA-N 360.479 2.546 0 50 FFAA Cc1ccc(C2(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)CCC2)cc1C 434277318 PWAHSGJTXAYTBE-KRWDZBQOSA-N 355.482 2.788 0 50 FFAA CCn1c(CC2CCN(C/C=C/c3ccc(F)cc3)CC2)nn(C)c1=O 65393730 WJFLVLXZFABNSW-SNAWJCMRSA-N 358.461 2.709 0 50 FFAA Cc1nc(N2CCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)CC2)sc1C 126398669 SOAONMVWKDYYLG-HNNXBMFYSA-N 370.478 2.535 0 50 FFAA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 283706144 SUOGGJGPDSBOSK-WHEVEAIOSA-N 368.481 2.707 0 50 FFAA C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCCNC3)nn2)[C@@H]1c1cccc(F)c1 333371784 FRTNCFCPRFGQPL-QBIMZIAESA-N 357.433 2.565 0 50 FFAA O=C(NCCc1cc(N2CCCC2)ncn1)c1conc1-c1ccccc1 72475043 NHLIAWTZBAYCLO-UHFFFAOYSA-N 363.421 2.704 0 50 FFAA COCc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1 242178783 XAVQVJCNNCNXLA-QGZVFWFLSA-N 357.410 2.739 0 50 FFAA CCc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@H]2C(=O)O)cc1 72409313 OCCCSMITGPJQPQ-IBGZPJMESA-N 370.493 2.927 0 50 FFAA C[C@@H]1CN(Cc2cc(-c3ccccn3)ccc2OCC(=O)O)CCCO1 215728058 YJGXSRNXKWBOPQ-OAHLLOKOSA-N 356.422 2.823 0 50 FFAA O=C(c1ccccc1F)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 38528423 OLOYXRTYVBQQDW-UHFFFAOYSA-N 369.444 2.568 0 50 FFAA CN1C[C@]2(CCCN(Cc3sc(N4CCCC4)nc3Cl)C2)OC1=O 215676103 VDKHDFULESXWGB-INIZCTEOSA-N 370.906 2.813 0 50 FFAA COCC[C@@H]1CN(c2cc(-c3ccccc3)nc3cc(C)nn23)CCO1 72420048 ZIDXVZCVGQGAOD-QGZVFWFLSA-N 352.438 2.946 0 50 FFAA CC[C@@H]1CN(c2ncnc3onc(C)c23)CCC(=O)N1Cc1ccccc1 71763358 FGGNUONOGDUFBA-MRXNPFEDSA-N 365.437 2.944 0 50 FFAA COCc1ccc(C(=O)N2CCN(CC3CCCCC3)[C@@H](CCO)C2)o1 72478883 WFFQUEKQWPXTOI-KRWDZBQOSA-N 364.486 2.515 0 50 FFAA O=C(Nc1ccccc1N1CCCCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 363392202 FEXMQEKHJFEEPT-PMACEKPBSA-N 372.513 2.740 0 50 FFAA O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)NOCC(F)(F)F 363784877 QQXNBTQELBBLKD-SNVBAGLBSA-N 351.756 2.959 0 50 FFAA C[C@@H]1C[C@H](c2cccs2)CN1S(=O)(=O)c1ccc2c(c1)C(=O)OC2 376773087 OYPILSWATVVGBP-YPMHNXCESA-N 363.460 2.985 0 50 FFAA COc1nc2c(cc1C(=O)NCC1(Cn3nc(C)cc3C)CC1)CCC2 215544290 HQIOEJUOIGIJTC-UHFFFAOYSA-N 354.454 2.602 0 50 FFAA CN1C(=O)COc2ccc(NC(=O)c3ccn(-c4ccccc4F)n3)cc21 175740949 MLWCAEOBYBONOB-UHFFFAOYSA-N 366.352 2.619 0 50 FFAA O=C(Nc1cccc(C[S@](=O)C2CCOCC2)c1)c1cccc(F)n1 160103452 VRYRJQVNSIKJSB-RUZDIDTESA-N 362.426 2.901 0 50 FFAA O=C(Cn1cnc2ccccc21)N[C@@H]1CCOC[C@H]1OCc1ccccc1 222824319 QPCNAASDLWLESM-UYAOXDASSA-N 365.433 2.527 0 50 FFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)[C@H]2CCc3ccc(OC)cc32)n1 292168152 ZTZJBCARPWFIDS-DOTOQJQBSA-N 370.453 2.743 0 50 FFAA C[C@@H](C1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(C)CC1 82109154 IHLITMBAHCNJCF-AWEZNQCLSA-N 367.896 2.967 0 50 FFAA Cc1cc(C)n(CCNC(=O)[C@]2(c3ccccc3)CC23CCCC3)c(=O)n1 426369148 HPBIVFUBLJSHBW-JOCHJYFZSA-N 365.477 2.878 0 50 FFAA C[C@@H](Cc1ccccn1)NC(=O)N(Cc1ccncc1)C1CCN(C)CC1 426433712 WSHRVCLZWPWIGB-KRWDZBQOSA-N 367.497 2.714 0 50 FFAA COc1ccc(NC(=O)N2CCC[C@H](c3ccn(CC(=O)O)n3)C2)c(C)c1 426397438 OLYAIINHYDUABD-AWEZNQCLSA-N 372.425 2.696 0 50 FFAA CC(C)N1C[C@H](CNC(=O)N2CCC3(CCc4ccccc43)CC2)CC1=O 426551750 DRSYPBGLHIGPAX-KRWDZBQOSA-N 369.509 2.933 0 50 FFAA O=C([C@@H]1COc2ccccc2C1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48179329 DWTATMQDWOVQDJ-SFHVURJKSA-N 366.465 2.645 0 50 FFAA C[C@H](NC(=O)N1CCN(C2CCN(C)CC2)CC1)c1ccccc1Cl 426488578 ZDSJMTLCUWYGOD-HNNXBMFYSA-N 364.921 2.822 0 50 FFAA CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3cccc(OC)n3)cc2)CC1=O 426590013 QRKIOIMDPPPQPW-OAHLLOKOSA-N 367.449 2.698 0 50 FFAA CN1CCN(CC2CCN(C(=O)Nc3ccc(F)cc3Cl)CC2)CC1 140704431 MCPJEYPGBIMLQY-UHFFFAOYSA-N 368.884 2.970 0 50 FFAA CNC(=O)c1[nH]nc2c1CN(Cc1ccccc1OC1CCCC1)CC2 97546673 RRAYCFUUIZMPPI-UHFFFAOYSA-N 354.454 2.649 0 50 FFAA C[C@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1ccc(-n2cnnc2)nc1 97823322 NJFUXTZCHDIEMX-CQSZACIVSA-N 373.420 2.886 0 50 FFAA COc1ccc(CN2CCN(c3ncnc(C)c3C)CC2)c(OC)c1C 97636536 OTUANQWOMKGUQH-UHFFFAOYSA-N 356.470 2.741 0 50 FFAA Cc1nsc(NC2CC2)c1C(=O)NC1CCN(Cc2cccnc2)CC1 294132509 LJGZYEJJASGQRL-UHFFFAOYSA-N 371.510 2.815 0 50 FFAA Cc1nnc(SCCNC(=O)c2cccc([C@@H]3CCCNC3)c2)s1 95391485 IZOCOHUQFRCTIB-OAHLLOKOSA-N 362.524 2.836 0 50 FFAA Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)n2)cc1 239235324 VTOXSNWBJMKDDN-CWLKWCNXSA-N 351.406 2.701 0 50 FFAA O=c1cc(CN2CCN(Cc3ccccc3Cl)CC2)nc2sccn12 23095806 QSYMOMAIFZIZPG-UHFFFAOYSA-N 374.897 2.727 0 50 FFAA Cc1ccc([C@H]2CN(C(=O)C3=Cc4cc(Cl)ccc4OC3)C[C@@H]2N)o1 91794286 LHWPGMYFXOOHME-HOTGVXAUSA-N 358.825 2.971 0 50 FFAA Cc1ccn(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 91713908 XZWJKJZJMJJYOU-HXUWFJFHSA-N 355.438 2.792 0 50 FFAA CN1C(=O)C2(CCN(C(=O)c3cn4ccsc4n3)CC2)c2ccccc21 91818869 FFRPLQNIDHZHNJ-UHFFFAOYSA-N 366.446 2.546 0 50 FFAA CC(C)N1CCC(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 244626786 FSVDZPXLHARCLN-ZVDOUQERSA-N 372.509 2.670 0 50 FFAA Cc1nn(C(C)C)c(C)c1CN(C)Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 252479860 BOBFEIIBHIDZDT-WKILWMFISA-N 371.533 2.844 0 50 FFAA C[C@@H](CN1CCCC1)NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 534590756 FSZWITYXPQYITL-VQFGERMISA-N 356.514 2.511 0 50 FFAA Cc1cc(Br)oc1C(=O)NCCCc1nnc2n1CCCC2 270586833 HIKRKDSRRBTUDM-UHFFFAOYSA-N 367.247 2.641 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c1 867129238 OHXMCZNPKZPHIQ-UHFFFAOYSA-N 372.469 2.513 0 50 FFAA Cn1nccc1[C@H](O)C1CCN(c2ncnc3[nH]c4ccccc4c23)CC1 856782493 VSCAVYCQDZLQLQ-GOSISDBHSA-N 362.437 2.795 0 50 FFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)CCOCc1ccccc1 952889964 JEOWTBYSBNYQNT-MRXNPFEDSA-N 357.410 2.768 0 50 FFAA O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1onc2c1CCCC2 1330806740 VJVNUKTXJXYDDH-OAHLLOKOSA-N 353.422 2.588 0 50 FFAA Cc1cc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)nc(C)n1 952987089 JGFZPZBWAWWDPW-GOSISDBHSA-N 355.438 2.794 0 50 FFAA C[C@@H](NC(=O)CN(C)Cc1cccnc1)c1ccc2c(c1)OCCCO2 952966787 FKKQPHABGKFMJA-OAHLLOKOSA-N 355.438 2.552 0 50 FFAA O=C(/C=C/c1nc2ccccc2s1)N1CCC(O)(CN2CCCC2)CC1 952962637 GHUCMDYNSRJQGZ-BQYQJAHWSA-N 371.506 2.759 0 50 FFAA CSc1ncc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)cn1 952863638 VCRNSIWTEOARMY-UHFFFAOYSA-N 370.438 2.633 0 50 FFAA C[C@@H]1CN(C(=O)Cc2csc(COc3ccccc3)n2)CC[C@H]1CN 1341879727 SYZZLZJIYNMBIN-CABCVRRESA-N 359.495 2.708 0 50 FFAA CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C[C@@]1(O)CCCNC1 1357516827 KPJHXJZRJNBPNO-NRFANRHFSA-N 353.466 2.602 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2cccnc2)C3)c(F)c1 1565526256 CESQZCQRZGPOGM-YJBOKZPZSA-N 369.440 2.966 0 50 FFAA Cc1noc(C)c1CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275758126 WRHJYLKRABRBGA-INIZCTEOSA-N 370.453 2.509 0 50 FFAA O=C(CN1CCC[C@H]1c1nc2c([nH]1)CCCC2)NCc1ccccc1F 275914929 JLZGOVGNVWYFQT-SFHVURJKSA-N 356.445 2.881 0 50 FFAA Cc1cc(C)n(CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)n1 170604555 UFIIRXIIZCPHEX-HZPDHXFCSA-N 364.490 2.652 0 50 FFAA COc1ccc2nc(NC(=O)[C@@H]3COCCN3CC3CCC3)sc2c1 186991409 QNJIVDUTZZTCQY-HNNXBMFYSA-N 361.467 2.744 0 50 FFAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 191039935 NRNDVGWXMKDKLT-UKRRQHHQSA-N 356.426 2.653 0 50 FFAA Cc1noc(C)c1CN(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192602847 IOEIIQMXZLMUFK-UHFFFAOYSA-N 350.440 2.826 0 50 FFAA CCS(=O)(=O)C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 195282792 RKXKLXUIDZIOPG-UHFFFAOYSA-N 366.870 2.928 0 50 FFAA Cc1ccc2c(CCNC(=O)CCC3=NNC(=O)CC3)c(C)[nH]c2c1C 1506411036 WJTNHVDQDXBAOD-UHFFFAOYSA-N 354.454 2.798 0 50 FFAA Cc1[nH]nc(CCC(=O)N2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1C 1506424206 HORKXGWQNLQCLB-OAHLLOKOSA-N 359.474 2.947 0 50 FFAA COc1ccc2[nH]c(CNc3nccc(N4CCC(O)CC4)n3)cc2c1 1529106444 PVSBGOZHNZARQN-UHFFFAOYSA-N 353.426 2.540 0 50 FFAA C[C@@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccc2c(c1)OCCO2 1704297919 BCWACFGQYFFGMQ-CYBMUJFWSA-N 354.410 2.657 0 50 FFAA Cc1cc(C[C@H]2CN(C3CCN(c4ccccc4C)CC3)C[C@@H]2O)on1 1616075179 ADDVJLRNUCONJF-UWJYYQICSA-N 355.482 2.796 0 50 FFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc2nsnc12 5729160 ZRGAIAXJDRIVEN-UHFFFAOYSA-N 369.431 2.659 0 50 FFAA COCCN1CCC[C@@]2(CCN(CC3=Cc4cc(OC)ccc4OC3)C2)C1 12708895 CGUBJSWTBOQHPE-JOCHJYFZSA-N 372.509 2.905 0 50 FFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC 14745923 RZWFEMBTBVPTPS-KRWDZBQOSA-N 372.513 2.931 0 50 FFAA O=C(N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccccn1 169754053 ZYRWBOWKMWXLFP-OAHLLOKOSA-N 351.385 2.620 0 50 FFAA COc1ccc(C(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)cc1 435569996 UQRIRSNNEJTPQU-MRXNPFEDSA-N 357.479 2.936 0 50 FFAA COc1ccc(C)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 331954801 PPBPKFPLNHJZQP-CVEARBPZSA-N 365.426 2.639 0 50 FFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)C1 237298740 HUHBJWKYGNFUFI-ZIAGYGMSSA-N 369.303 2.983 0 50 FFAA CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)o1 162865153 SOAQTDIRBQMSJF-HNAYVOBHSA-N 374.462 2.729 0 50 FFAA O=C(NCc1ccc(F)c(F)c1)C1=NN(Cc2ccccc2)C(=O)CC1 918053839 XBQLQSFKRRKJGA-UHFFFAOYSA-N 357.360 2.760 0 50 FFAA C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cn1cnc2ccc(F)cc2c1=O 2325731113 GMTUXORZTOGWJE-HOCLYGCPSA-N 365.408 2.940 0 50 FFAA COCC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)C1 2325794825 SMFIAXZQRAYJFP-CYBMUJFWSA-N 373.840 2.865 0 50 FFAA CCc1ccc2c(c1)[C@H](CC(=O)N[C@H](C(=O)OC)[C@@H]1CC=CCC1)C(=O)N2 2325823728 BUNXKQDSENQDIG-ALKREAHSSA-N 370.449 2.689 0 50 FFAA Cc1nccn1C[C@@H](C)CNC(=O)c1cn2cccc(C(F)(F)F)c2n1 2325857903 UCEBZDYZRBZFDR-NSHDSACASA-N 365.359 2.924 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 2325889990 NEQMUYHXPBZPOV-UHFFFAOYSA-N 363.417 2.997 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@H]1c2cccc(Br)c2CC1(C)C 861813231 OXVUEVSDHPVRNV-INIZCTEOSA-N 365.271 2.833 0 50 FFAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cccc(C)c1 1774484 XECPEWZDHQTIJY-IBGZPJMESA-N 366.417 2.756 0 50 FFAA O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 1884653 QVAURIZCXYLCEN-CYBMUJFWSA-N 356.300 2.870 0 50 FFAA CCCN1CCC[C@@]2(CCCN2S(=O)(=O)Cc2ccccc2C)C1=O 2356136805 KOJZDSCLQFNZJV-LJQANCHMSA-N 364.511 2.692 0 50 FFAA CCOC(=O)[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 2815121 MHFINQXUWGMMFT-AWEZNQCLSA-N 354.406 2.929 0 50 FFAA CC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 2876295 COKFAXSUMHZILG-UHFFFAOYSA-N 358.781 2.907 0 50 FFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O 4949291 SQLOAQQQSDSNIJ-MNOXCQKJSA-N 369.782 2.667 0 50 FFAA Cc1ccc(-c2csc(NC(=O)CN3CCC4(CC3)OCCO4)n2)cc1 51537043 RXTQSNQNNYZHHH-UHFFFAOYSA-N 373.478 2.896 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)o1 20911715 UJIFBDMGTAPNMQ-IBGZPJMESA-N 358.482 2.803 0 50 FFAA CC(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 77377914 QMKZHNZSGZKYAS-GOSISDBHSA-N 360.479 2.909 0 50 FFAA COc1ccnc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 329398438 VGFUWBJHOKJWFO-AABGKKOBSA-N 352.434 2.664 0 50 FFAA O=C(NCCCc1ccccn1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 23429243 SFSYRLJGEPJBGG-QGZVFWFLSA-N 369.440 2.708 0 50 FFAA c1nc(C2CC2)c(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)s1 329593758 UTMDIDBUVHFXCD-UHFFFAOYSA-N 355.423 2.969 0 50 FFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCCCOc1cccnc1 65494296 UDMCMZWRZPKGAN-UHFFFAOYSA-N 362.739 2.686 0 50 FFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1n[nH]c2c1CCC2 329894072 BBBICLVUQTZMGQ-STQMWFEESA-N 362.474 2.645 0 50 FFAA CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)C[C@]2(CCOC2)O1 330129758 DYGIIYMCZAKMPG-FQEVSTJZSA-N 365.437 2.566 0 50 FFAA CCCN(C(=O)[C@H]1CO[C@H](C)C1)C1CCN(c2cc(C)nc(C)n2)CC1 332134991 LUEFOBCWYMOHHT-NVXWUHKLSA-N 360.502 2.726 0 50 FFAA CCNc1nc(C)cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 67602014 QUUZIDSUEHNPKF-UHFFFAOYSA-N 373.888 2.762 0 50 FFAA CC(C)N1CCC(N2CCC[C@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 12473546 UWKCEHJBKLQWKC-IBGZPJMESA-N 373.541 2.636 0 50 FFAA CN(C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1CCNCC1 237121043 GPKWESXUVDQPPY-UHFFFAOYSA-N 361.449 2.758 0 50 FFAA COCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 252508721 XRMPSISDAISQJM-SFHVURJKSA-N 355.438 2.654 0 50 FFAA C[C@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1 72481380 ZFKFYKINEVBTBX-CQSZACIVSA-N 370.415 3.000 0 50 FFAA COc1ccc(-c2noc(CN[C@@]3(CO)CCOc4ccccc43)n2)cc1 239527619 ATLPWZVVOWBCBW-HXUWFJFHSA-N 367.405 2.505 0 50 FFAA Cc1cnc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)s1 241132761 JLMXOLUMCHONCZ-MCIONIFRSA-N 361.467 2.756 0 50 FFAA COCCCN1C(=O)CC[C@H]2CN(C(=O)CCc3ccccc3C)CC[C@H]21 72430657 QBYKLKCSRSNACZ-VQTJNVASSA-N 372.509 2.804 0 50 FFAA CN(C)[C@H](CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1)c1ccco1 126639190 UXFBNRXQMMUAEA-NQIIRXRSSA-N 369.465 2.766 0 50 FFAA CNC(=O)c1cccc(CNc2nc(C(C)(C)C)nc3c2cnn3C)c1 72159331 GFRSZDUFLDMXNG-UHFFFAOYSA-N 352.442 2.633 0 50 FFAA Cc1cccn2c(CC(=O)N3CCO[C@@H](Cc4cccc(F)c4)C3)cnc12 71760367 VFYYRCNDXDCLBQ-IBGZPJMESA-N 367.424 2.794 0 50 FFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)C1 368836939 YKZWPAGAUARQPY-MRXNPFEDSA-N 357.458 2.886 0 50 FFAA Cc1nn(C)c(C)c1C(=O)C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 370333787 KEVPLXUJRCIZIH-QGZVFWFLSA-N 365.355 2.740 0 50 FFAA CSc1ccc(CN2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1 72480428 RBQZSSJTGZMMDU-INIZCTEOSA-N 359.543 2.978 0 50 FFAA COc1cc(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)cc2c1OCCO2 246234836 SDOCZYJHHQPBDN-ATZDWAIDSA-N 351.402 2.925 0 50 FFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCCC[C@H]2c2ncon2)CC1=O 246610557 CFZOEPIVJHCUDB-OIISXLGYSA-N 368.437 2.733 0 50 FFAA CCCc1cc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)no1 77386092 PWWXMGXMARIALE-UHFFFAOYSA-N 357.458 2.965 0 50 FFAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(CC4CCC4)C3)CC1)OCO2 72162470 NJQLQPYQSACKSZ-HXUWFJFHSA-N 371.525 2.797 0 50 FFAA C[C@H](C(=O)N1CCCN(c2cccnn2)CC1)[C@@H]1OCCc2sccc21 292690836 GVBPZGABEWFKHI-KSSFIOAISA-N 372.494 2.527 0 50 FFAA O=C1CC[C@@]2(CCCN(C(=O)c3cccc(Cl)c3)C2)CN1CCCO 82121300 UWZVSOFAJXLJTQ-IBGZPJMESA-N 364.873 2.567 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1C 20395017 PLIIODNQYXQISW-UHFFFAOYSA-N 362.470 2.949 0 50 FFAA Cc1nc2ccc(S(=O)(=O)N3CCC[C@@]4(CCOC4)C3)cc2s1 95353552 VVYDEOINLIAFCR-MRXNPFEDSA-N 352.481 2.796 0 50 FFAA Cc1ccc(C)c(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)c1 91427188 VFXOOTXXVRKZQT-KRWDZBQOSA-N 358.482 2.981 0 50 FFAA COC(=O)c1ccc2c(c1)n(Cc1coc(C)n1)c(=O)n2CCC(C)C 95525127 SUFHBCDOBZWDAM-UHFFFAOYSA-N 357.410 2.980 0 50 FFAA COc1ccc2nc(CCN(C)c3nc(C)nc4oc(C)nc34)[nH]c2c1 91951553 IFXSPJBUMMNXJQ-UHFFFAOYSA-N 352.398 2.798 0 50 FFAA COCc1cccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)c1 95388445 BWFMKNZQYZOSHP-LJQANCHMSA-N 355.434 2.942 0 50 FFAA C[C@H](NS(=O)(=O)Cc1noc2ccccc12)c1ccc2c(c1)OCO2 180404085 NHLZJMVCODHFCQ-NSHDSACASA-N 360.391 2.737 0 50 FFAA O=C(c1ccc(Cl)cc1)N1C[C@@H]2CN(C3CCCC3)C[C@]2(C(=O)O)C1 97744716 XLMVHDNQIDOGJE-LIRRHRJNSA-N 362.857 2.741 0 50 FFAA Cc1c(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)cnc2ccnn12 97805695 ZWEATNKJZOCJPH-OAHLLOKOSA-N 352.442 2.835 0 50 FFAA O=C(CCC1CCN(Cc2ncccn2)CC1)NCc1ccc(F)cc1 95505743 CTJODFIDXXZEFA-UHFFFAOYSA-N 356.445 2.924 0 50 FFAA O=C(N[C@H](C(=O)O)c1cccc(O)c1)C1CCN(C2CCCCC2)CC1 95517377 LOFQJRGABBNQQI-SFHVURJKSA-N 360.454 2.679 0 50 FFAA CCNc1ccnc(N2CCC(c3nccn3Cc3cscn3)CC2)n1 91574734 MHPXCMRNGPUTSO-UHFFFAOYSA-N 369.498 2.994 0 50 FFAA Cc1c(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)sc2nc[nH]c(=O)c12 97527931 ORBUYNOKUBPORU-NSHDSACASA-N 368.340 2.721 0 50 FFAA COc1cc(C)cc([C@@H](C(=O)O)N2CCN(C3CCCC3)CC2)c1OC 95370399 MAOFVDCNIJWNMA-SFHVURJKSA-N 362.470 2.698 0 50 FFAA Cc1nc(CC2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)no1 244564007 CLBDIVLWQJYNKJ-CQSZACIVSA-N 354.454 2.610 0 50 FFAA COc1cccc([C@H]2CCN(CCC(=O)Nc3cccnc3)C2)c1OC 244724599 MXBPNSOEQCLHHD-HNNXBMFYSA-N 355.438 2.917 0 50 FFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CCCN(CC(F)F)CC1 183707062 WJIRVTUXQVFFAY-UHFFFAOYSA-N 363.412 2.985 0 50 FFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cnc2c(F)cccc2c1O 253534857 LSLGEABPSZZGLG-PRXAMGSTSA-N 367.380 2.717 0 50 FFAA Cc1cc(C)n2nc(NC(=O)c3ccc(CSc4nc[nH]n4)o3)cc2n1 1940197339 IVXQLOWXYSSEOS-UHFFFAOYSA-N 369.410 2.602 0 50 FFAA CCc1cc(NCc2nnc(-c3ccccc3)o2)nc(N2CCOCC2)n1 65497558 CYTFBQBFFRVOMQ-UHFFFAOYSA-N 366.425 2.538 0 50 FFAA COc1cccc(-c2cccc(C(=O)N(C)C[C@H](C)N3CCOCC3)c2)n1 299778664 NTXXYEVLWMYERX-INIZCTEOSA-N 369.465 2.550 0 50 FFAA O=C(NCCN1CCCC[C@@H]1CO)Nc1ccccc1Oc1cccnc1 299765071 ULXXYIIASWMCJM-MRXNPFEDSA-N 370.453 2.842 0 50 FFAA CSc1ncc(CNC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)n1C 584888282 CUMLIIOXUDWQTE-UHFFFAOYSA-N 350.492 2.504 0 50 FFAA NC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(-c2ccccc2C(=O)O)c1 584894741 GXADHFMHSNMWPZ-INIZCTEOSA-N 366.417 2.922 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 1875365259 VJRDGJBHPJVLMI-UHFFFAOYSA-N 356.466 2.658 0 50 FFAA CS(=O)(=O)NC(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 1875390238 CIPYVZNGLHLGKV-UHFFFAOYSA-N 361.206 2.870 0 50 FFAA NC(=O)Cc1cccc2c1CCN(C(=O)CCc1cccc3cnccc13)C2 1875309138 SXJZOUWIXJRASL-UHFFFAOYSA-N 373.456 2.780 0 50 FFAA CCOCc1nc(C)cc(=NC[C@@H](O)COc2ccccc2C(C)C)[nH]1 1875353872 JEXOQQOPESXHNV-MRXNPFEDSA-N 359.470 2.719 0 50 FFAA N[C@@H](C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@@H]1CCCO1 888093054 DPVHOALSHRZGLJ-DLBZAZTESA-N 361.829 2.759 0 50 FFAA CCOc1ccccc1CNC[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 886080000 OZBBENGPWAMTCW-UZLBHIALSA-N 356.470 2.518 0 50 FFAA COc1ccc2c(c1)nc(CNC(=O)N[C@@H]1CCOc3ccccc31)n2C 185559350 CLBMSFJVVJNZLC-OAHLLOKOSA-N 366.421 2.905 0 50 FFAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1)N1CCOCC1 222041282 HOMYLKIBNCSMSH-VRXHGMAYSA-N 368.477 2.718 0 50 FFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CCc2ccncc2)C1 190529998 RWBWDIQCVPXECJ-QGZVFWFLSA-N 358.511 2.760 0 50 FFAA CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cnc3cc(C)ccn13)CC2 191560192 NATZTFDXVRBKMO-UHFFFAOYSA-N 370.478 2.504 0 50 FFAA c1cnc(-c2nc(CCNC3CCN(Cc4ccco4)CC3)cs2)nc1 1506398668 WIAYPFPEIGFBPC-UHFFFAOYSA-N 369.494 2.990 0 50 FFAA CN(C)c1nccnc1N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 1529167601 KKJCNCAYORKMOE-HNNXBMFYSA-N 350.426 2.977 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1704303431 XYJWXLLJMYYLOH-QZTJIDSGSA-N 360.479 2.543 0 50 FFAA COCc1n[nH]c(NC(=O)c2ccc(=O)n(C)c2)c1-c1ccc(Cl)cc1 1638241420 PJYPGDQWSZULCX-UHFFFAOYSA-N 372.812 2.828 0 50 FFAA CC(C)c1ccc(CCCNC(=O)c2cc(N3CCOCC3)no2)cc1 1772805230 IIDQWXCSDYQYQA-UHFFFAOYSA-N 357.454 2.997 0 50 FFAA CSCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 11934336 DZXOJOCQSFGODI-UHFFFAOYSA-N 372.494 2.970 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4nc(C)c[nH]4)C3)C2=O)c1 12445964 XTFQBVFCDGUHAU-NRFANRHFSA-N 366.465 2.681 0 50 FFAA CCN1CCC(N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 12708630 ZRQJUEFVAFTCNQ-HXUWFJFHSA-N 367.497 2.760 0 50 FFAA CCc1nnc2sc(-c3ccc(CNC(=O)c4ccco4)cc3)nn12 13954796 LFMTUDUYKQPNTQ-UHFFFAOYSA-N 353.407 2.938 0 50 FFAA Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCCc1ccccc1)C2 14745024 PDBUAAFBSPQQCW-SFHVURJKSA-N 366.509 2.736 0 50 FFAA O=C(c1ccncc1)N1CCN(Cc2cccc(Br)c2)CC1 19773450 UXEKBCSPEAQRDB-UHFFFAOYSA-N 360.255 2.802 0 50 FFAA CCc1csc(CNC(=O)[C@]2(Cc3cscn3)C[C@@H]3CC[C@H]2N3)n1 1857700562 WRHJNJAERVYVBM-QEORTHHSSA-N 362.524 2.532 0 50 FFAA CC1=C(C(N)=O)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N1 956679 GZQPNEOISBNFTB-QGZVFWFLSA-N 353.447 2.544 0 50 FFAA Cc1cnc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cn1 123328373 DYYBEKXBFRZFLG-HIFRSBDPSA-N 351.328 2.752 0 50 FFAA Cn1nncc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 330055492 UMTZKMFWJJRGTQ-GFCCVEGCSA-N 361.254 2.648 0 50 FFAA COc1ccc(Cl)cc1C1(CNC(=O)[C@@H]2CC[C@H](N)C2)CCOCC1 237267424 QQSXLLFWAKFIQD-HIFRSBDPSA-N 366.889 2.640 0 50 FFAA COc1cc2c(cc1CN1C[C@H](c3ccccc3)[C@@H](C(=O)O)C1)OCO2 247937669 HNZJFHKMMCVDPB-CVEARBPZSA-N 355.390 2.724 0 50 FFAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(OCC2CC2)cc1 369693688 OTMLCSJZNPPBAG-INIZCTEOSA-N 358.482 2.801 0 50 FFAA CCCN(C(=O)N[C@@H](C)CS(C)(=O)=O)[C@H](C)c1ccccc1OC 265021315 MDRPNKNSYRAIPB-UONOGXRCSA-N 356.488 2.611 0 50 FFAA C[C@](O)(c1cccc(C(F)(F)F)c1)c1nc([C@H]2C=CC=NC2=O)no1 903385808 MWQHHKNDYCHFKK-ABAIWWIYSA-N 351.284 2.595 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 918753184 VLOMRSMNRLAIII-UHFFFAOYSA-N 363.417 2.868 0 50 FFAA COCc1cn(C[C@H]2CCCN(C(=O)Nc3cc(F)ccc3F)C2)nn1 23581482 MYWYDJXZZFCGIX-LBPRGKRZSA-N 365.384 2.647 0 50 FFAA Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2C[C@H](C(F)(F)F)CO2)c1 2325813424 MSRKZVXHZSNVDC-HOTGVXAUSA-N 367.371 2.823 0 50 FFAA CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 824122 QSFHKJBIPIUMJK-UHFFFAOYSA-N 373.261 2.935 0 50 FFAA COC(=O)c1cc(Br)cc(I)c1O 3165130 VSSVFOUMITYFEN-UHFFFAOYSA-N 356.941 2.546 0 50 FFAA O=C([C@@H]1CCn2nccc2C1)N1CCC2(CC1)OCCc1ccsc12 2356158728 XFIYYWFQLNSKSY-OAHLLOKOSA-N 357.479 2.598 0 50 FFAA O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1cccnc1 4487360 QPPPGSHIFRJOJI-UHFFFAOYSA-N 352.221 2.938 0 50 FFAA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C 4760124 XISNUVNLGJKNIK-VNQPRFMTSA-N 364.442 2.553 0 50 FFAA CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN2CC[C@H](O)C2)cc1 113503532 YZZFUGVUVKTVOH-PMACEKPBSA-N 355.478 2.819 0 50 FFAA C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)c1nc(C2CCCC2)no1 173092404 BFOGUBCIIVCVDJ-GFCCVEGCSA-N 356.430 2.608 0 50 FFAA O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1F 100274087 VAAQTVOCEFSSJO-HNNXBMFYSA-N 358.394 2.830 0 50 FFAA O=C1CCCN1c1cccc(OCC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 120274327 HJJLLDVVDSHSHT-QGZVFWFLSA-N 368.437 2.669 0 50 FFAA Cc1ccc(C(=O)Nc2ccccc2N2C(=O)N[C@@H](C)C2=O)n1C(F)F 1506416703 KWYKQAROJVQTQI-JTQLQIEISA-N 362.336 2.889 0 50 FFAA Cc1nc(CN(C)C(=O)c2cc(Cn3ccnc3C(C)C)n[nH]2)cs1 67742057 LPZKZPSZFXZREV-UHFFFAOYSA-N 358.471 2.815 0 50 FFAA C[C@@H]1CCCc2nc(S(=O)(=O)NC[C@H]3[C@H]4c5ccccc5C[C@H]43)cn21 333171179 NSWZJJNEPYJYQC-XIEZEKGWSA-N 357.479 2.645 0 50 FFAA COC(=O)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 1393203 QNKRRMVKZDSPAC-CQSZACIVSA-N 373.352 2.898 0 50 FFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 237658880 KXGLSSBYBOTJJT-MRXNPFEDSA-N 367.327 2.828 0 50 FFAA O=S(=O)(CCc1cccs1)NCc1cccc(Cn2cccn2)c1 252497303 QDGAPZZWTDWBJM-UHFFFAOYSA-N 361.492 2.655 0 50 FFAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](COc2ccccc2)OC(C)(C)C1 285124102 RZLFUNSSBJXQTG-KRWDZBQOSA-N 357.454 2.654 0 50 FFAA O=C(c1ncccc1O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 132975886 LFTDRBOYRLLZTJ-QWHCGFSZSA-N 352.312 2.754 0 50 FFAA CCOc1ccccc1NC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 363235685 AGBICSTZNBOLOE-HNNXBMFYSA-N 355.442 2.974 0 50 FFAA CCCc1nc(N(C)Cc2nc3ccc(F)cc3[nH]2)c2cnn(C)c2n1 72408727 BUKUURQHTNDLNN-UHFFFAOYSA-N 353.405 2.968 0 50 FFAA CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 72174484 RIHYROJLWRJQRT-QGZVFWFLSA-N 353.470 2.809 0 50 FFAA COc1ccc(C[C@@H]2CC[C@H](CN3CCC(C(=O)O)CC3)O2)cc1F 72476585 AYGFGJIFQVWBMT-JKSUJKDBSA-N 351.418 2.721 0 50 FFAA O=C([C@H]1CCCN(C2CCN(Cc3ccc(O)cc3)CC2)C1)N1CCCC1 71749586 DIOQEGKIHSALII-IBGZPJMESA-N 371.525 2.691 0 50 FFAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 215791879 DOHLDOIYMMAHRX-KJWXAFIESA-N 355.409 2.697 0 50 FFAA c1ccc(-c2nc(CN3CCCC[C@@H]3CCN3CCOCC3)no2)cc1 72172614 MVKDVWFDRXOJJJ-GOSISDBHSA-N 356.470 2.813 0 50 FFAA CCOc1cc(Cl)c(S(=O)(=O)N2CCN(CC)CC2)cc1Cl 36051289 KLTUAKHFTHRKGQ-UHFFFAOYSA-N 367.298 2.718 0 50 FFAA Nc1nccc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCC3=CCCCC3)C2)n1 72428020 XFLNCOXQCGXAEX-DLBZAZTESA-N 355.486 2.767 0 50 FFAA O=C(O)C[C@H]1COCCN1Cc1ccccc1OCCc1ccccc1 72172594 RLOTZQHXKSQQEX-IBGZPJMESA-N 355.434 2.984 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3ccc4[nH]c(C)nc4c3)CCO2)cc1 71745911 MDASRCWBAKKIKT-GOSISDBHSA-N 365.433 2.964 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cc(C)n(CC)n3)C2)CCC1=O 77472192 OLDJBTZRWVVTEX-HXUWFJFHSA-N 360.502 2.856 0 50 FFAA O=C(CCN1CCO[C@@H](C(F)(F)F)C1)NCc1ccc(Cl)cc1 71681233 AUTFKXIXTSSINP-CYBMUJFWSA-N 350.768 2.609 0 50 FFAA O=C(O)c1ccnc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1 263412239 MSJMWAQCFQWLTQ-HNNXBMFYSA-N 354.362 2.528 0 50 FFAA CC(=O)C1(c2ccccc2)CCN(C(=O)[C@H](C)Cn2nc(C)nc2C)CC1 72409762 RQTHHHNDNDPAQK-OAHLLOKOSA-N 368.481 2.680 0 50 FFAA Cn1c(CN2CCn3nc([C@@H](O)C4CC4)cc3C2)cc2cc(F)ccc21 223023743 HJMFKFSLUKGYPT-FQEVSTJZSA-N 354.429 2.973 0 50 FFAA CN(CC1CC1)C(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 82083477 MEFXGHMTRZYMGZ-FQEVSTJZSA-N 370.541 2.626 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc3ncsc3c2)[C@H]2C[C@H](O)C2)cn1 222385199 CORMLOJBJQJCFH-IYOUNJFTSA-N 369.446 2.942 0 50 FFAA COc1ccc(N2C[C@H](C)N(Cc3ccc(OC)cc3OC)CC2=O)cc1 82120844 DROHQJJMMZDDFA-HNNXBMFYSA-N 370.449 2.950 0 50 FFAA COc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)ccc1O 82139023 DANUQTOOXAKBJY-AWEZNQCLSA-N 354.406 2.587 0 50 FFAA COc1ccnc(-c2cccc(C(=O)N3CC(n4nc(C)cc4C)C3)c2)n1 426661274 ODYQJJNOBLFJSV-UHFFFAOYSA-N 363.421 2.663 0 50 FFAA O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1cc(-c2cccnc2)no1 222545109 KIOZTVPMOQVOGK-GOSISDBHSA-N 362.433 2.842 0 50 FFAA CN(Cc1nc2ccccc2s1)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426487377 MPJNNKDNYXKJJM-CQSZACIVSA-N 369.494 2.618 0 50 FFAA Cc1cccc(-c2ncc(C(=O)N[C@H]3COC4(CCCC4)C3)c(=O)[nH]2)c1 82098903 IALCHQNOMIWCSU-OAHLLOKOSA-N 353.422 2.577 0 50 FFAA Cc1cc(NC(=O)NCc2noc([C@@H]3CCCO3)n2)n(-c2ccccc2)n1 97553345 LLGLJEWBHNNRBY-AWEZNQCLSA-N 368.397 2.737 0 50 FFAA Cc1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)c2ccccc2n1 96147858 WSXZNBFSAVJHRE-HXUWFJFHSA-N 359.429 2.727 0 50 FFAA COc1cc([C@H](C)N2CC3(CCNCC3)CCC2=O)cc(OC)c1OC 91876420 XHDLFIUJSYALLM-AWEZNQCLSA-N 362.470 2.766 0 50 FFAA CC(C)OC(=O)c1cc(NC(=O)N2CCC(=O)NC[C@H]2C)ccc1Cl 96153788 JAQRBNPIIJWCHB-LLVKDONJSA-N 367.833 2.648 0 50 FFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 96137265 MAZZUKRIFPRDID-OAHLLOKOSA-N 368.359 2.815 0 50 FFAA Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1N1CCNC1=O 91326701 QTFSUQNAKQJFMW-UHFFFAOYSA-N 370.497 2.615 0 50 FFAA CCn1nc(-c2csc(C)n2)nc1CCc1nc(-c2ccncc2)no1 96141605 KKNAAFIYFRVBLC-UHFFFAOYSA-N 367.438 2.960 0 50 FFAA C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)CCN2CCCO2)C1 95522621 KHWNKKNICTZMGO-FQEVSTJZSA-N 360.454 2.614 0 50 FFAA COc1c[nH]c(C(=O)NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1=O 97117102 ADYNFTWJSFJZGF-DELCKGKKSA-N 374.481 2.879 0 50 FFAA O=C(CSc1ccccc1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 91425514 IZHZIXVKDKFYEE-QZTJIDSGSA-N 362.539 2.722 0 50 FFAA COc1ccc(-n2ncc([C@H](C)NC(=O)Cc3cc(C)no3)c2C)cc1 91468580 LJZSGCPLZSWYHR-ZDUSSCGKSA-N 354.410 2.906 0 50 FFAA Cc1nc[nH]c1CSCCNC(=O)[C@@H](c1ccccc1F)N(C)C 92062447 DSZMHUJLABNNNU-MRXNPFEDSA-N 350.463 2.510 0 50 FFAA Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 91951763 VHRLTEDVGRXTIB-UHFFFAOYSA-N 356.466 2.955 0 50 FFAA CN(Cc1csc(-c2cccs2)n1)c1nccc(N2CC[C@H](O)C2)n1 95509921 VSMRAEABRVRQNV-ZDUSSCGKSA-N 373.507 2.869 0 50 FFAA Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 91657096 JVDBOJLSUHSNLO-OAHLLOKOSA-N 368.466 2.506 0 50 FFAA COc1ccc(C)c(NC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 95524971 NSKCIRSSVDDPMW-QGZVFWFLSA-N 374.529 2.883 0 50 FFAA Cc1cccc(OCC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 252539651 OGJSNAAYOWPLBL-KGVIQGDOSA-N 367.445 2.937 0 50 FFAA C[C@@H]1Sc2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cc2NC1=O 299745776 SHLCCVGUYOEJAC-DRABBMOASA-N 374.462 2.977 0 50 FFAA O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(F)cc1 299744842 QEQCAASFIFATNC-CYBMUJFWSA-N 374.393 2.816 0 50 FFAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(OC(C)C)nc(N)n2)cc1 534576211 LAQNNFVFDBJBCA-INIZCTEOSA-N 370.453 2.764 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(N4CCOC4=O)c3)C2)no1 299769930 PNYSJIDFHUHERP-CYBMUJFWSA-N 371.397 2.746 0 50 FFAA COc1nc2c(cc1C(=O)N[C@@H](C)CN1CCc3ccccc3C1)CCC2 824845392 BMBXZZCYVWQOLI-HNNXBMFYSA-N 365.477 2.756 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H](CCn2cncn2)c2ccccc2)s1 584887869 RMSBAUCMJHGYHA-INIZCTEOSA-N 355.467 2.842 0 50 FFAA O=C(N1CCC(c2nccc(-c3ccccc3)n2)CC1)[C@]1(F)CCOC1 952891567 GETSMUHOZHSESM-FQEVSTJZSA-N 355.413 2.978 0 50 FFAA COC(=O)Cc1ccc2cc(OC[C@H]3C[N@]3Cc3cnn(C)c3)ccc2c1 1875385370 RQTKQRDXXVBXBG-DVECYGJZSA-N 365.433 2.552 0 50 FFAA O=C(N=c1cc(CC2CC2)[nH][nH]1)c1ccc2c(c1)nc(O)n2CC1CC1 1875332464 SXEVPCOTILLXNY-UHFFFAOYSA-N 351.410 2.502 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)[C@]1(C)OCCc2ccccc21)c1ccccc1 1875386310 MIFXKFGCBJDJMA-SIKLNZKXSA-N 364.445 2.634 0 50 FFAA O=C([C@@H]1CC[C@@H]2C[C@H]2C1)N1CCC[C@@H]1Cn1cc(-c2cccnc2)nn1 1875338662 GMVBVSZJFPEONV-XYVMCAHJSA-N 351.454 2.767 0 50 FFAA N[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 952991044 ZFZGCOKANSNZSV-LJQANCHMSA-N 360.417 2.842 0 50 FFAA COc1c(C)cnc(CN(C)C(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)c1C 886088375 QSYVLWGXGCQGIF-RHSMWYFYSA-N 358.442 2.556 0 50 FFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ncnn2-c2ccccc2)C1 888102806 NWCMWVTWEWJHSA-SJORKVTESA-N 352.442 2.569 0 50 FFAA O=C(c1ccccc1)N1CC[C@H](Nc2nc3ccccc3s2)[C@@H](O)C1 1565514141 FAZRNQUVEXTZIM-HOCLYGCPSA-N 353.447 2.984 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 1565526067 LQCLISSBXJXFGV-QAPCUYQASA-N 353.466 2.883 0 50 FFAA O=C(Nc1ccc2ncsc2c1)C(=O)N1CCCN(C2CCCC2)CC1 172648663 FALKNSIBOKRQQZ-UHFFFAOYSA-N 372.494 2.712 0 50 FFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCCO2)[C@@H]1CCCc2ccccc21 408269337 JDJSWMQQDCJCKW-GOSISDBHSA-N 371.458 2.937 0 50 FFAA CN(CC1(CO)CC1)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 187586382 VAOVIJDJTFHYNU-UHFFFAOYSA-N 366.483 2.639 0 50 FFAA CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(F)ccc2Br)C1(C)C 188856030 WMJYRUJRHSIRBT-CZUORRHYSA-N 374.250 2.884 0 50 FFAA O=C(Cc1n[nH]c2c1CCCC2)NC[C@H](O)c1cc(Cl)cc(Cl)c1 188935006 FNUOWYLNHNIJCA-INIZCTEOSA-N 368.264 2.988 0 50 FFAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc(N2CCCC2)ccn1 189339071 LXCPWLYDYZXADJ-IBGZPJMESA-N 351.450 2.925 0 50 FFAA CC(C)c1cc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)nn1C 190082538 SYQFLQPUUZWVNQ-UHFFFAOYSA-N 364.453 2.924 0 50 FFAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 191039985 NRNDVGWXMKDKLT-ZFWWWQNUSA-N 356.426 2.653 0 50 FFAA COC(=O)[C@H]1CC[C@@H](NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)C1 192653340 YPTPHKWRNBZWBO-QWHCGFSZSA-N 361.829 2.906 0 50 FFAA COc1ccccc1N1C[C@@H](C(=O)N2CCc3c(C)cccc32)CC1=O 195734460 UROOIKSTMGKQTM-HNNXBMFYSA-N 350.418 2.946 0 50 FFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506417205 OOJAULXFBXJCMP-IBGZPJMESA-N 368.824 2.881 0 50 FFAA CO[C@H](C)c1nnc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)s1 1506418360 SDZHUYFZTGSNAS-MRVPVSSYSA-N 369.830 2.851 0 50 FFAA Cc1nc(N2CCCC2)nc(N[C@H]2COC[C@H]2Cc2ccncc2)c1C 1704345475 XTVKYUCBODJPCP-MSOLQXFVSA-N 353.470 2.758 0 50 FFAA CN(C[C@@H]1CCCCN1C)C(=O)c1coc(COc2ccccc2F)n1 11753702 HBXVMEAAKFRHOG-AWEZNQCLSA-N 361.417 2.949 0 50 FFAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(C[C@H]2CCCO2)nn1 11818437 KRHWBJMBUWYQMG-CQSZACIVSA-N 368.359 2.748 0 50 FFAA COC[C@H]1CCCN(C(=O)c2cc(COc3ccc(C(C)=O)cc3)on2)C1 11879944 CAHDFANXIIROTH-HNNXBMFYSA-N 372.421 2.955 0 50 FFAA CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N(C)C(C)C)C2 11880148 KNMPXMFQXUJMFH-MNOVXSKESA-N 351.472 2.740 0 50 FFAA CC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11957836 HMJWXNMHMODWHI-KRWDZBQOSA-N 364.461 2.538 0 50 FFAA O=S(=O)(Cc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 16578982 XQMXXKLSIIDFAM-RMKNXTFCSA-N 374.481 2.987 0 50 FFAA O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)C1)c1ccncc1 169755705 YFOWOXYRDWXXNT-INIZCTEOSA-N 351.385 2.620 0 50 FFAA CN1c2cc(C(=O)NCc3ccc(F)cc3F)ccc2C(=O)N2CCC[C@@H]21 169765895 QWDBAJVRALQUTB-GOSISDBHSA-N 371.387 2.907 0 50 FFAA CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)cc4)CC3)nn2)n1 169780223 RTYOQYBPCCZGHY-UHFFFAOYSA-N 370.388 2.507 0 50 FFAA O=c1[nH]c2ccc(CNC3CCN(CCc4ccccc4)CC3)cc2[nH]1 156782105 UDVNZFNEDFZGRR-UHFFFAOYSA-N 350.466 2.653 0 50 FFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1)c1cnc(CN2CCCC2)s1 220369051 RWLKQTXFIAXFIO-JTDSTZFVSA-N 371.506 2.981 0 50 FFAA CNC(=O)Cc1nc(-c2scc3c2CCCC3)n([C@@H]2CCCC[C@H]2O)n1 1857672048 GMQPUZAUGRHHFR-HUUCEWRRSA-N 374.510 2.650 0 50 FFAA Cc1oc(-c2cccs2)nc1CN1CCC2(CC1)CC(=O)NCCO2 1857707237 JSPJEUWCZWQMPZ-UHFFFAOYSA-N 361.467 2.583 0 50 FFAA CC(C)=CCCN1C[C@@H]2[C@H](CNC(=O)c3ccncc3)[C@H]3CC[C@]2(C1)O3 1857715566 XZTZRVRIBMFQGL-QEUVDIPISA-N 355.482 2.647 0 50 FFAA O=C(NC[C@H]1[C@H]2CN(c3ncccc3Cl)C[C@]23CC[C@H]1O3)C1CCC1 1857718515 XRUCWCUACVKMPQ-XWESNNAXSA-N 361.873 2.635 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(Cc3cc[nH]c(=N)c3)C1)CC2 1857730623 SRELDYVVQOYZNZ-OAQYLSRUSA-N 367.497 2.767 0 50 FFAA Cc1ncsc1CN1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857738059 PTMRFXXFOCOJQT-WDYCEAGBSA-N 355.463 2.726 0 50 FFAA CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O 2517129 UZDKQMIDSLETST-LURJTMIESA-N 355.259 2.903 0 50 FFAA in-vitro CCc1cc(C)c(C(=O)N2CCO[C@@H](c3ccnc(N4CCCC4)n3)C2)o1 328631902 RNXLMVBUTKBIQA-QGZVFWFLSA-N 370.453 2.754 0 50 FFAA Cc1nc([C@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)no1 329535422 LJRQZOXFRPQPOY-MRXNPFEDSA-N 359.401 2.929 0 50 FFAA CO[C@H](C)c1noc(CN2CCCN(c3nc4cc(C)ccc4o3)CC2)n1 330246794 YJUITDYNFRTLHT-CQSZACIVSA-N 371.441 2.939 0 50 FFAA O=C(Nc1c[nH]nc1[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1)C1CCCC1 331492551 GPAVNDNGTFVOOW-OCCSQVGLSA-N 374.407 2.641 0 50 FFAA Cc1ccc(CCC2CCN(C(=O)CN3CCC[C@@H]3C(=O)O)CC2)cc1 237703032 CEWXGAUKRHOLHH-LJQANCHMSA-N 358.482 2.715 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-n2nnnc2C)c1 363091988 MTMKGKUXMLMBGV-UHFFFAOYSA-N 362.315 2.945 0 50 FFAA Cc1cc(N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)nc2cc(F)ccc12 1704329720 BRQXCNFYDOZSIG-RBUKOAKNSA-N 360.429 2.554 0 50 FFAA Fc1cccc(-c2ccc(CN3CCN(Cc4nc[nH]n4)CC3)s2)c1 851724625 BUZUXAUCJRYANO-UHFFFAOYSA-N 357.458 2.990 0 50 FFAA COCc1cc(C)nc2sc3c(=O)n(Cc4ccccc4)nnc3c12 719050 HEVWBSCBCSPYNK-UHFFFAOYSA-N 352.419 2.904 0 50 FFAA O=C(O)[C@H]1CN(Cc2cn3cc(Br)ccc3n2)CC12CCC2 2325773050 MIFDYVGKUAFJBP-CYBMUJFWSA-N 364.243 2.784 0 50 FFAA C[C@@H](NC(=O)C[C@]1(C)CCCO1)c1cc(F)ccc1N1CCN(C)CC1 2325776228 CHWWNUSAVHZQGR-QRWLVFNGSA-N 363.477 2.714 0 50 FFAA O=C(OCC(=O)[C@@H]1CCOC1)c1cc(Br)c2occc2c1 2325781144 PCWRHVDMEQFKNR-SNVBAGLBSA-N 353.168 2.958 0 50 FFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1Nc1nccc(-c2ccccc2F)n1 2325785997 XPDKIAKWGLLAKY-MORSLUCNSA-N 353.401 2.731 0 50 FFAA CC1(C)C[C@@H]1[C@@H](NC(=O)c1ccnc(N2CCC(N)CC2)c1)C(F)(F)F 2325786393 HXMJSRSKNFWOKE-UKRRQHHQSA-N 370.419 2.716 0 50 FFAA Cc1cc(C)n(C2CCN(C(=O)Cc3ccc4c(n3)NCCC4)CC2)n1 2325801676 RYMXMMWQBXGYIY-UHFFFAOYSA-N 353.470 2.659 0 50 FFAA Cc1nn(CC(C)C)cc1S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F 2325841045 BDWAEAGGBPSDKQ-UHFFFAOYSA-N 373.381 2.625 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)c1cccc(OCc2cccs2)c1 112662522 ZSKIZACJHUJUHM-CQSZACIVSA-N 354.435 2.663 0 50 FFAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2 693492 DDORXJCEBRHLEI-UHFFFAOYSA-N 374.404 2.796 0 50 FFAA COC(=O)c1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 857475 BPMLMTQLZUEWHO-INIZCTEOSA-N 354.406 2.880 0 50 FFAA O=C(CSc1nncc(O)n1)Nc1cc(C(F)(F)F)ccc1Cl 1282342 KEJZDYGUVVVMIG-UHFFFAOYSA-N 364.736 2.980 0 50 FFAA Cc1nnc(SCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)s1 2211452 FPASICIYKNGAQQ-UHFFFAOYSA-N 363.468 2.522 0 50 FFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc(C4CC4)no3)C1)CC2 2356142971 PBCFJFHVZMKLCP-FQEVSTJZSA-N 367.453 2.528 0 50 FFAA COC(=O)CSc1nc2ccccc2c2nc(-c3cccnc3)nn12 9577346 JEZSJEHHQQQMNP-UHFFFAOYSA-N 351.391 2.605 0 50 FFAA CCc1nc(C)c(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)[nH]1 105904157 PVSLCWYTRDANLN-FQEVSTJZSA-N 370.541 2.782 0 50 FFAA Cc1cc(C)n(CCCNC(=O)CCc2nc(-c3ccccc3F)no2)n1 55099243 DPKQRLFLXZTSJA-UHFFFAOYSA-N 371.416 2.828 0 50 FFAA Cc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 101230878 YMQGNNHNVWBHNS-KCQAQPDRSA-N 370.902 2.719 0 50 FFAA O=C1C[C@H](c2cc3c(cc2Cl)OCO3)c2c(nc3ccccn23)CN1 65407562 ZJJCWGPXXNMLDZ-LLVKDONJSA-N 355.781 2.868 0 50 FFAA CCn1c([C@H]2CCCN(Cc3ccc(C)c4ncccc34)C2)nn(C)c1=O 67713038 XSSRCGQOPAGZHR-KRWDZBQOSA-N 365.481 2.838 0 50 FFAA CCOc1ccccc1CN(CCO)C(=O)CC(=O)Nc1ccc(C)cc1 65386788 NDLGQLFMVOAYEA-UHFFFAOYSA-N 370.449 2.743 0 50 FFAA C[C@@H](C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1)n1ccnc1 67886571 CZPXZSKTGVUTIL-AWEZNQCLSA-N 364.405 2.633 0 50 FFAA CCc1cc(C(=O)N2CCc3[nH]nc(COCc4ccccc4)c3C2)on1 23478955 YYPBTIPGXJIJBE-UHFFFAOYSA-N 366.421 2.875 0 50 FFAA C=Cn1cc(CN2CCc3[nH]cnc3[C@H]2c2ccc3nsnc3c2)cn1 67920425 FJZRYSVASCTVMO-GOSISDBHSA-N 363.450 2.859 0 50 FFAA COCC1(N(C)C(=O)c2coc(COc3cccc(F)c3F)n2)CC1 67739474 SMEBUMCWVFOMNE-UHFFFAOYSA-N 352.337 2.783 0 50 FFAA Cc1ccccc1[C@H](C(=O)NCc1nc(C)c2c(n1)CCCC2)N(C)C 65532211 JNJIOXKZALNXSG-HXUWFJFHSA-N 352.482 2.891 0 50 FFAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O 239347201 MJWIJLYYXZZJEI-BONWFUQQSA-N 371.481 2.785 0 50 FFAA Cn1nc(Br)c2c(N3CC[C@H](OC(C)(C)C)C3)ncnc21 239807531 CSSXCUKEFNERFM-VIFPVBQESA-N 354.252 2.520 0 50 FFAA O=C(NCc1cc2ccc(F)cc2[nH]c1=O)c1cccc(-n2cccn2)c1 67784541 QVGZEGZWRHXZBM-UHFFFAOYSA-N 362.364 2.783 0 50 FFAA CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 240555844 GXTLHRYKIREWHE-QLVMHMETSA-N 371.481 2.847 0 50 FFAA O=C(NCc1nnc(-c2ccccc2)s1)N1CC[C@H]([C@@H]2CCOC2)C1 333047391 GJSJGNUULFPIFW-LSDHHAIUSA-N 358.467 2.773 0 50 FFAA CN(CCc1ccccc1)Cc1cc(C(=O)N2CCn3cccc3C2)no1 67695931 IMTHYNCULINSFF-UHFFFAOYSA-N 364.449 2.807 0 50 FFAA O=C(c1cncc(N2CCN(CCCC3CCCC3)CC2)n1)N1CCCC1 67689329 LPPBDFZSIVHSAE-UHFFFAOYSA-N 371.529 2.805 0 50 FFAA CC(C)C(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C 65362507 XZFHGFLSVAUNBX-UHFFFAOYSA-N 352.500 2.882 0 50 FFAA Cc1cc(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)c2cnn(C)c2n1 128607582 STIOJVSDTGVOSG-CQSZACIVSA-N 369.494 2.857 0 50 FFAA O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCc2cccs2)C1 72418297 HSTVCYDBNKOSLW-WMLDXEAASA-N 357.479 2.772 0 50 FFAA Cc1[nH]c2ccc(CNC(=O)c3cc(CC(C)C)[nH]c(=O)n3)cc2c1C 71752083 KSSWHTQOQQPLNE-UHFFFAOYSA-N 352.438 2.997 0 50 FFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)on1 33270451 YGSDEHDNHHHTGW-AWEZNQCLSA-N 366.439 2.780 0 50 FFAA CCOc1ccc(-c2ccnc(NCc3nccn3C)n2)cc1C(=O)O 77471033 PUOVQAALAZIALI-UHFFFAOYSA-N 353.382 2.586 0 50 FFAA COc1cccc(CN(C)Cc2ccc3nonc3c2)c1O[C@H](C)C(=O)O 215196766 DFJHYMBYHIQWKF-GFCCVEGCSA-N 371.393 2.715 0 50 FFAA O=C(O)[C@@H]1CC2(CCN(C/C=C/c3ccccc3)CC2)CN1C(=O)C1CC1 72430272 ZWSLVLNIYHDTJO-QTWIXLPOSA-N 368.477 2.878 0 50 FFAA Cn1ncc2c(N3CC[C@](O)(c4ccccc4)C3)nc(-c3cccnc3)nc21 72137161 UWSYHGAMJICQIF-OAQYLSRUSA-N 372.432 2.523 0 50 FFAA COc1ccc2c(CN3CCN(c4ccc(Cl)cn4)CC3)n[nH]c2c1 72143888 ZBPQJHFJPDARNC-UHFFFAOYSA-N 357.845 2.942 0 50 FFAA C[C@H]1CSc2ccccc2CN1Cc1nnnn1CC1CCOCC1 373105565 APLJFXBNCGUQFW-AWEZNQCLSA-N 359.499 2.596 0 50 FFAA CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CC[C@H](C(=O)O)CC1 262706244 JTAQCHCGYJNGOG-HDJSIYSDSA-N 364.417 2.892 0 50 FFAA COC(=O)c1cccc(CN2CCC3(CC2)OCCc2ccsc23)n1 562941558 YYMILHFNHCIDLH-UHFFFAOYSA-N 358.463 2.994 0 50 FFAA Cc1ccc(F)c(-n2nc(C(=O)N[C@@H](C(=O)O)C(C)C)c3c2CCC3)c1 263225184 PWESJUWPLINCEO-MRXNPFEDSA-N 359.401 2.648 0 50 FFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(C(=O)c1cnco1)CC2 221311420 MUPGZXYXRIRXOS-LJQANCHMSA-N 365.389 2.875 0 50 FFAA Cc1nn(C)c(-c2nn3c(C(F)(F)F)nnc3s2)c1Br 20606297 SQZKJXFQKDSKOA-UHFFFAOYSA-N 367.154 2.676 0 50 FFAA CSc1ncc(C(=O)NC2CCN(CCc3ccccc3)CC2)cn1 222375007 LTHAMLHTSPTBNL-UHFFFAOYSA-N 356.495 2.635 0 50 FFAA CCN=c1cc[nH]c(-c2ccc(C(=O)NC3(COC)CCCC3)cc2)n1 426547596 ISCKHBNQHWTNPP-UHFFFAOYSA-N 354.454 2.686 0 50 FFAA C[C@H](O)c1cccc(-c2cccc(C(=O)NCCc3nncn3C)c2)c1 426386325 MLPLFUQBTZANDX-AWEZNQCLSA-N 350.422 2.508 0 50 FFAA CC(C)c1nc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)no1 426669136 PNONOKHNIHSUHU-INIZCTEOSA-N 354.454 2.831 0 50 FFAA O=C(CC1=CSC2=NCCCN12)NCCCc1nc2ccccc2[nH]1 223860017 GWPYXRBRJHMRTF-UHFFFAOYSA-N 355.467 2.652 0 50 FFAA Cc1nn(C)c(C)c1CN(CCO)C(=O)N[C@H](C)c1ccc(Cl)cc1 426513750 SYQGRLIWGBPLRD-GFCCVEGCSA-N 364.877 2.955 0 50 FFAA Cc1cc(C)cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239173855 OVATWFADTCMBJK-WDYSCTGBSA-N 364.445 2.685 0 50 FFAA NC(=O)CN1CCC(NC(=O)Nc2ccc(C3CCCCC3)cc2)CC1 97732426 ZJNHYXAACWZFCK-UHFFFAOYSA-N 358.486 2.806 0 50 FFAA CN1CC2(CCC1=O)CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 91847399 IJGVWIBJTIRIMC-UHFFFAOYSA-N 361.486 2.510 0 50 FFAA O=C(NCc1ccc(Cl)cc1Cl)N1CC[C@@]2(CCCNC2=O)C1 91819627 LRSXCBVCOWIYHL-INIZCTEOSA-N 356.253 2.805 0 50 FFAA COc1ccc(Cl)cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 95402555 MUZJPBMEUHBVQR-BETUJISGSA-N 362.813 2.628 0 50 FFAA CCOc1cc(Cl)ccc1C(=O)NC1CCN(C[C@H]2CCOC2)CC1 182046558 WCBITYUJCKBQMW-CQSZACIVSA-N 366.889 2.969 0 50 FFAA COc1ccc(CC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(OC)c1 91663448 DKEVKEFRFQIYHD-QGZVFWFLSA-N 374.481 2.640 0 50 FFAA CNc1cc(-c2nc(CC3CCN(C)CC3)nn2CC(F)(F)F)ccn1 96135942 FMDNVQHFFZIMNV-UHFFFAOYSA-N 368.407 2.828 0 50 FFAA CC[C@@H](O)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91737504 ICNWAJOHCLNGQK-QGZVFWFLSA-N 352.425 2.550 0 50 FFAA COc1cccc2c1OC[C@H](CNC(=O)c1ccc(Cn3ccnc3)o1)C2 95382096 GOAKFMLLZIQATG-AWEZNQCLSA-N 367.405 2.514 0 50 FFAA O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cccc(C(=O)O)c1 299743729 LZHFKPCXXYPPSF-OAHLLOKOSA-N 352.390 2.592 0 50 FFAA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)N2CCOCC2)cc1 299795947 LMKFHMDZKXBHEX-UHFFFAOYSA-N 354.332 2.970 0 50 FFAA CCCCN1CCn2nc(CNC(=O)c3cccc(OC)c3C)cc2C1 299789992 BJPWCLYHMWQPLK-UHFFFAOYSA-N 356.470 2.746 0 50 FFAA Cc1cccnc1CN(C)C(=O)c1cccc(-c2nc(N(C)C)n(C)n2)c1 299771899 ZRBMMPVBSBXGSD-UHFFFAOYSA-N 364.453 2.524 0 50 FFAA O=C(C1CCN(Cc2ccco2)CC1)N1CCN(CC2CCCC2)CC1 827951830 BWDSEJHPCIUWOB-UHFFFAOYSA-N 359.514 2.826 0 50 FFAA COc1cccc(CCN(Cc2ccc(F)cc2)C(=O)[C@H]2CNC(=O)C2)c1 824776103 FFHRQFQDCQMUNP-QGZVFWFLSA-N 370.424 2.542 0 50 FFAA Cc1nc(C)n(CCCNC(=O)c2cccc(-c3ncnn3C(C)C)c2)n1 584886787 SQMZFPHEHHAWOF-UHFFFAOYSA-N 367.457 2.554 0 50 FFAA COc1cccc(SCC(=O)N2CCC(Oc3ncccn3)CC2)c1 824787958 QLTQOVBTZVZNEH-UHFFFAOYSA-N 359.451 2.647 0 50 FFAA CCCOc1ccccc1CCCNC(=O)N1CCC2(CC1)CNC(=O)C2 584890610 WNSAAEMHINLQAB-UHFFFAOYSA-N 373.497 2.720 0 50 FFAA CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)[C@@H]1COc2ccccc21 874597578 QWFZTMUSVNGSSD-DOTOQJQBSA-N 352.390 2.646 0 50 FFAA O=C(NCC1CCN(C2CC2)CC1)c1cc(Nc2ccccc2)ncn1 1875258556 VOPWQHLBMWJTCF-UHFFFAOYSA-N 351.454 2.824 0 50 FFAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2nc3cnccc3s2)C1 1875395300 AEIHKKZRPHPKQY-FYSMJZIKSA-N 364.496 2.558 0 50 FFAA O=C(C/C=C/Cc1ccccc1)N1CC[C@@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875401508 JZGUQYQUARHCJD-HRMTXBTBSA-N 352.438 2.999 0 50 FFAA CSc1cccc(CN(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C(C)C)c1 952982519 YSBXFHVKRFCZHN-HNNXBMFYSA-N 370.540 2.763 0 50 FFAA CC(=O)c1cc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cs1 952969524 NZWBNKUKDKEDPX-UHFFFAOYSA-N 359.451 2.632 0 50 FFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)c2cccnc2O)C1 888102223 ATYOSFZMFSJSBF-SNVBAGLBSA-N 354.332 2.559 0 50 FFAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 245325956 IEOLDSBHYKJJDA-IHRRRGAJSA-N 356.463 2.543 0 50 FFAA Cc1ncc([C@@H](C)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1 170601053 KLINBRMEYNYOFM-OAHLLOKOSA-N 370.522 2.719 0 50 FFAA CN(c1ccccc1)c1ccc(C(=O)N2CCC[C@@]23CCOC3=O)cn1 170601336 ZLOPFEOIUBSPDS-FQEVSTJZSA-N 351.406 2.771 0 50 FFAA Cc1ccc(N2N=C(C(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)NCC2=O)cc1 222084912 HSPSVWYLEVIPIP-IVZHQMGZSA-N 368.481 2.576 0 50 FFAA CC(C)(C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@H]1CCCNC1 225534355 RFEFKRHZZBFSAT-GJZGRUSLSA-N 358.404 2.881 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnc2c(c1)c(C)nn2C 190427921 DFRGFRVNFLZVBO-IRXDYDNUSA-N 354.458 2.503 0 50 FFAA CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1 192352033 YSNKZJCTJAFHRR-SFHVURJKSA-N 360.479 2.810 0 50 FFAA O[C@@H]1CCCN(c2ccnc(NCCCn3ccc4ccccc43)n2)C1 1529143999 AKHYSUMAVJWZJV-QGZVFWFLSA-N 351.454 2.895 0 50 FFAA CC(=O)N[C@H]1CN(c2nc(C)ccc2C(=O)O)C[C@@H]1c1ccc(C)cc1 216939158 HFBRFKFEZCWWJT-MSOLQXFVSA-N 353.422 2.505 0 50 FFAA Cc1cccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1C 1704298770 KCTWKGFTVQPIDZ-DENIHFKCSA-N 367.445 2.824 0 50 FFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCCN(C(=O)C2CCC2)CC1 1772700258 BCOSDLHUMXTRQY-UHFFFAOYSA-N 366.465 2.860 0 50 FFAA Cc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2cc[n+]([O-])cc2)C1 12192860 DYEKPYLXSNAQBU-IBGZPJMESA-N 367.493 2.655 0 50 FFAA COc1ccc(CCN2C[C@@H](C(=O)NCc3ccc(C)o3)CCC2=O)cc1 12706955 OJIPPKNGHVXDLN-KRWDZBQOSA-N 370.449 2.694 0 50 FFAA O=c1c2cnc3nc(-c4cccnc4)nn3c2ccn1CCc1ccccc1 13687478 GCOKGCUNRJXNDB-UHFFFAOYSA-N 368.400 2.744 0 50 FFAA CN(C(=O)c1n[nH]c2c1CCC2)[C@@H]1CCCN(Cc2ccccc2F)C1 15065019 BYFXCBHXJBZOCW-OAHLLOKOSA-N 356.445 2.774 0 50 FFAA COc1ccc([C@H]2Cn3nnc(-c4nc(C(C)(C)C)no4)c3CO2)cc1 169758394 SBLQMCKCSPQGER-CQSZACIVSA-N 355.398 2.906 0 50 FFAA CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 169772761 MDWQDWLYJMRUMT-ZDUSSCGKSA-N 364.405 2.953 0 50 FFAA COc1ccc(N2CCN(Cc3ccccc3Cn3cccn3)CC2)cn1 1857667659 NCGGFSKIEVFLIH-UHFFFAOYSA-N 363.465 2.657 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccc(F)cc2F)CC12CCN(CC1CC1)CC2 1857693134 JOFLSWQFYXITPB-KRWDZBQOSA-N 364.436 2.973 0 50 FFAA CN(C)C(=O)c1cc(-n2ccnc2-c2cnn3cccnc23)ccc1Cl 1857700068 LHZGFXPNHYYQJF-UHFFFAOYSA-N 366.812 2.937 0 50 FFAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)c1 1857728205 RMADSSPXTGZXHK-ILXRZTDVSA-N 366.889 2.784 0 50 FFAA CC1(C)C(=O)NCCN1C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 109892464 YJBQORLXPZWMJY-UHFFFAOYSA-N 372.446 2.537 0 50 FFAA C[C@@H](Oc1ccccc1Cl)C(=O)N(CCC(=O)O)C1CCOCC1 328595351 SBGZNUGIWAUACL-GFCCVEGCSA-N 355.818 2.590 0 50 FFAA Cc1cc(Br)ccc1NC(=O)COc1ccc(CO)nc1 153901294 XDXQKISPPVGJFE-UHFFFAOYSA-N 351.200 2.662 0 50 FFAA CN1CCC[C@@H]1c1cc(C(=O)N2CCC(=O)C[C@@H]2c2ccccc2)n[nH]1 908335761 UFWNQHBRBQDFQU-RTBURBONSA-N 352.438 2.723 0 50 FFAA Cc1nn(C)c2nc(Cl)c(CN3CC[C@](N)(c4ccccc4)C3)cc12 2325772970 BMPXHDBJJBGRAG-LJQANCHMSA-N 355.873 2.990 0 50 FFAA COCCCc1cccc(CN2CCc3c(CC(N)=O)cccc3C2)c1 2325784204 HVZQJHRZVPOPLC-UHFFFAOYSA-N 352.478 2.852 0 50 FFAA Cc1ccc(F)cc1C(=O)C(=O)NCc1cn(-c2cccc(Cl)c2)nn1 2325825393 ONNQUSBFUQZHDY-UHFFFAOYSA-N 372.787 2.867 0 50 FFAA CN1CCN(CC(=O)NCCc2cccc3ccccc23)c2cnccc21 2325856169 DIMNVXHCCUCASW-UHFFFAOYSA-N 360.461 2.850 0 50 FFAA CC[C@@H](O)c1nc(-c2nn[nH]c2Cl)n(Cc2ccc(Cl)cc2)n1 2325875941 GNGVQWVJQJIDOD-SNVBAGLBSA-N 353.213 2.862 0 50 FFAA Cc1ccnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c1 856921 IIQDHWRYHBMUMD-UHFFFAOYSA-N 364.434 2.951 0 50 FFAA O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCCCC1)c1ccccc1 1253518 KJGSIUVZLDWFEQ-LJQANCHMSA-N 374.506 2.729 0 50 FFAA O[C@@H]1CCN(c2nccn3c(-c4ccc(OC(F)(F)F)cc4)cnc23)C1 2356153222 XKUFXNQRMDXBSU-GFCCVEGCSA-N 364.327 2.866 0 50 FFAA COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O 4838363 VGOKALVMSQHAED-NSHDSACASA-N 374.890 2.562 0 50 FFAA COc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2OC)CC1 7495418 YOOKYAIQLKSRCS-MRXNPFEDSA-N 370.449 2.820 0 50 FFAA COc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2nncn2C)cc1 102024134 UOBQXKPPTOVVNV-BJWYYQGGSA-N 354.454 2.694 0 50 FFAA O=C(NCCCN1CCCC1)c1ccc(I)cc1 10450030 XTPXWDIICHKXJG-UHFFFAOYSA-N 358.223 2.507 0 50 FFAA COc1cc(NC(=O)c2cc(C)[nH]c(=O)c2)ccc1NC(=O)CC(C)C 55342708 XEMQQXLJWSNKJG-UHFFFAOYSA-N 357.410 2.929 0 50 FFAA CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)CCN(C)C)nc2)C1 67724705 CAMHPSDNYCMNCR-GOSISDBHSA-N 374.529 2.547 0 50 FFAA CC[C@H](C)N(CC(=O)O)C(=O)c1csc(I)c1 123378053 USKRXDZLBUYIPD-ZETCQYMHSA-N 367.208 2.678 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(N3CCCC3)nc2)cn1 328629294 ICUITSJQWYIDGJ-XLIONFOSSA-N 368.485 2.848 0 50 FFAA COc1ccc(-n2cccn2)c([C@H]2CC(=O)NCc3nc4ccccn4c32)c1 65371704 XMCNBNIOAAAXSK-MRXNPFEDSA-N 373.416 2.680 0 50 FFAA O=C(c1cnc([C@H]2CCCO2)s1)N1CCN(Cc2cccc(O)c2)CC1 125761647 HIEBRZNLWDNVMG-MRXNPFEDSA-N 373.478 2.658 0 50 FFAA CCNC(=O)[C@@H]1CCN(Cc2cccc(C(=O)Nc3c(C)noc3C)c2)C1 67886320 KFBFFYATOIQOHZ-QGZVFWFLSA-N 370.453 2.502 0 50 FFAA Cc1ccc2c(C(=O)N[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)csc2c1 332286827 IQUCBPCRQPFMPS-CABCVRRESA-N 366.508 2.800 0 50 FFAA C[C@@H](O)c1cn(CC2CCN(Cc3ccc4cccc(F)c4n3)CC2)nn1 20783028 YHBFEGYJYCIYDU-CQSZACIVSA-N 369.444 2.931 0 50 FFAA Cc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)C1CCOCC1 237744924 UXBZHSZAHHBHFU-UHFFFAOYSA-N 360.385 2.778 0 50 FFAA Cc1nn(C)c2sc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)cc12 237914632 YLNOXVDOWFCHRE-CQSZACIVSA-N 355.419 2.595 0 50 FFAA COc1ccccc1OC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 72453763 AJLACKJYMXIJJG-UHFFFAOYSA-N 352.394 2.650 0 50 FFAA Cc1nc(C)c(CC(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)s1 215062425 QMIIJDGQSFZVDL-UHFFFAOYSA-N 353.451 2.672 0 50 FFAA CC(C)c1cc(N2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1 71615047 MORZFOXJIHKSIK-INIZCTEOSA-N 371.529 2.559 0 50 FFAA COc1ccccc1[C@@H]1CN(C(=O)c2ccncc2)[C@@H]2C3CCN(CC3)[C@H]12 72172482 UVRUTHUKXAEUEV-CEWLAPEOSA-N 363.461 2.793 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cnn(-c3ccccc3F)c2)CC1 215943550 RKWWBHPEQZWDSM-IBGZPJMESA-N 369.444 2.691 0 50 FFAA CC(C)(CO)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 152664644 ANWIZKJPLMPXID-INIZCTEOSA-N 368.433 2.550 0 50 FFAA COC(=O)c1cc(C)sc1NC(=O)N1CCN(Cc2ccncc2)CC1 13324999 HSINWFSCWHTEBZ-UHFFFAOYSA-N 374.466 2.588 0 50 FFAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(NC(N)=O)cc1 363349518 PLGNWTOWUNERQA-INIZCTEOSA-N 366.465 2.914 0 50 FFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)nn2)nc1 72433941 NSQJTWGJEYHMHU-UHFFFAOYSA-N 374.448 2.886 0 50 FFAA Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c[nH]1 72158320 VFRZSGURFGHJGW-MRXNPFEDSA-N 359.857 2.731 0 50 FFAA O=C(c1cc2c(s1)CCCC2)N1CCC(C(=O)O)(n2cccn2)CC1 72421696 QISIDDWRFDDFEF-UHFFFAOYSA-N 359.451 2.540 0 50 FFAA CCCN(Cc1ccc(OCC)cc1)C(=O)[C@H]1CC2(CCNCC2)CN1C 72469654 AFQHLIFODUEQCR-HXUWFJFHSA-N 373.541 2.898 0 50 FFAA CN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 44890005 SEVPEGRNMOFHCH-UHFFFAOYSA-N 351.381 2.708 0 50 FFAA COc1ccccc1CCC(=O)N1CCN(Cc2csc(C)n2)CC1 42359584 PEFIQZVDWIBAQV-UHFFFAOYSA-N 359.495 2.737 0 50 FFAA CN(C)c1ccccc1-c1ccc(C(=O)NC[C@](C)(O)CCCO)cc1 426440221 DQDUVRBOOBSTIH-OAQYLSRUSA-N 356.466 2.673 0 50 FFAA O=C(NCCCc1ccccc1)N1CCCN(Cc2cccnc2)CC1 426396347 DFGKLQBYABIZBH-UHFFFAOYSA-N 352.482 2.932 0 50 FFAA C[C@@H]1CCc2onc(C(=O)N3CCN(Cc4ccc(F)cc4)CC3)c2C1 20613876 IWVPBVUVPSCTAW-CQSZACIVSA-N 357.429 2.897 0 50 FFAA CCCC[C@H]1CN(c2cccc(C)c2)C(=O)CN1C(=O)Cn1ccnc1 82161844 WIQXWQWMWLGVAT-SFHVURJKSA-N 354.454 2.626 0 50 FFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc3ccccc23)CN1C(C)C 20912212 YBLWHHVVSRGKCP-FPOVZHCZSA-N 369.509 2.543 0 50 FFAA CCCc1cnc(N2CCN(Cc3cnc(-c4ccco4)nc3)CC2)nc1 199365484 WJNCMFRHSAISRC-UHFFFAOYSA-N 364.453 2.801 0 50 FFAA Cc1cccc(C)c1OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239339230 LWOYIRFJSMUARP-KTSXYBPLSA-N 365.429 2.650 0 50 FFAA CN1CCC[C@]2(CCN(Cc3ccc4c5c(cccc35)C(=O)OC4)C2)C1=O 91547747 FTBWBVUSIKDBQE-JOCHJYFZSA-N 364.445 2.955 0 50 FFAA CCCOC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 91593399 STYNLZKBKBPEFO-UHFFFAOYSA-N 363.506 2.917 0 50 FFAA CC(C)COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN([C@@H](C)c4ccccc4)C(=O)[C@H]13)O2 239165244 NTGQCMRXASLWIR-YTBPQBKGSA-N 355.434 2.729 0 50 FFAA Cn1c(Cn2cccn2)nnc1C1CCN(C/C=C/c2ccccc2)CC1 91693648 WFMQMWAUJHBCNB-WEVVVXLNSA-N 362.481 2.953 0 50 FFAA CN1CCN(Cc2ccc(C(=O)NCCc3ccccc3Cl)o2)CC1 97529014 JTPCEUWAUNAIEL-UHFFFAOYSA-N 361.873 2.653 0 50 FFAA CCc1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)no1 426683728 DMRYHSJUKCSPHM-OXFYSEKESA-N 371.437 2.863 0 50 FFAA COC[C@@H](C)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 426502813 AVHKNYCJQUBXBQ-LLVKDONJSA-N 363.483 2.676 0 50 FFAA COc1ccccc1OC1CN(C(=O)[C@@H](c2cccc(F)c2)N(C)C)C1 95354815 HAFRLWKEYPZXDE-LJQANCHMSA-N 358.413 2.727 0 50 FFAA Cc1ncc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)c(=O)[nH]1 91390754 ZHEKJPPIHXBUCU-SFHVURJKSA-N 355.438 2.587 0 50 FFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCc1ccc3c(c1)OCO3)C2 95516468 BJAUKCIRGYFARB-OAHLLOKOSA-N 369.417 2.724 0 50 FFAA COc1ccccc1OC1CCN([C@@H](C(=O)O)c2ccc(CO)cc2)CC1 95355020 SZBQNKNTIQPDOP-HXUWFJFHSA-N 371.433 2.857 0 50 FFAA Cn1cc(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)ccc1=O 91779781 UEXLUFHKHJEVAX-OAQYLSRUSA-N 368.433 2.599 0 50 FFAA CC(=O)NCc1nc(Cc2cccc(Cl)c2)nn1-c1cccc(C)n1 97244002 ZZBBQSMMYPDMTK-UHFFFAOYSA-N 355.829 2.851 0 50 FFAA CCOc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)N2CCCCC2)CC1 95357663 CIDUPYXEHONYQI-LJQANCHMSA-N 374.481 2.936 0 50 FFAA C[C@@H](CCC(=O)NCc1cc(-c2ccccc2F)no1)N1CCN(C)CC1 244852742 UXUASMKVLWOEGI-HNNXBMFYSA-N 374.460 2.513 0 50 FFAA Cn1cc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)cn1 299542992 BGPSKNXAPXZBIS-INIZCTEOSA-N 352.360 2.813 0 50 FFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCOc2ccccc21 299749915 MAAPOKSEWXCILR-YJBOKZPZSA-N 351.402 2.981 0 50 FFAA COCc1nc(NCC2CCN(C3CCCC3)CC2)cc([C@H]2C[C@@H](N)C2)n1 252537246 KTYHLKJTMMXHDY-CALCHBBNSA-N 373.545 2.894 0 50 FFAA COc1cc(C)cc(OC)c1-c1ccc(C[C@H](NC(C)=O)C(=O)O)cc1 534636285 LJEUNRIWMHWMQA-INIZCTEOSA-N 357.406 2.811 0 50 FFAA CC[C@@H](CNC(=O)N1CC=C(c2ccccc2)CC1)N1CCN(C)CC1 534676963 VSBIMCPSFWWDHU-FQEVSTJZSA-N 356.514 2.511 0 50 FFAA C[C@@H](Cc1ccncc1)NC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 67692929 LRKMFTNKJDIAGA-AWEZNQCLSA-N 360.421 2.564 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)[C@@H]3CN(C)c4ccccc4O3)CC2)n1 299775883 LCDLJIVLGLXGLU-KRWDZBQOSA-N 370.453 2.796 0 50 FFAA O=C(Nc1ccccc1OCc1ccccn1)N1CCN2CCC[C@H]2C1 299792577 GETJULIRWREQBN-KRWDZBQOSA-N 352.438 2.973 0 50 FFAA Cc1ccc(CN2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2=O)cc1 299767373 KJJDHHWNVXILQF-UHFFFAOYSA-N 365.433 2.902 0 50 FFAA CC[C@H](c1nc(CC(N)=O)nn1-c1ccc2ccccc2c1)N(C)CC 822663316 KVWVISPQAGAOEP-QGZVFWFLSA-N 351.454 2.851 0 50 FFAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(-c3cccs3)nn1C)C2 824804675 BTGFLKQUTONUIN-ZDUSSCGKSA-N 369.446 2.891 0 50 FFAA CO[C@@H](C)CCNC(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 584884355 OTGALFXLNMXLMN-HNNXBMFYSA-N 371.437 2.947 0 50 FFAA C[C@@H](c1nc(-c2ccc(F)cc2)nn1-c1ccncc1)N1CCOCC1 670471146 JCQVTCNEMCYWTJ-AWEZNQCLSA-N 353.401 2.862 0 50 FFAA Cc1cccc([C@@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)C2CC2)n1 584898788 HICYVJKFYBFMNS-SFHVURJKSA-N 368.437 2.602 0 50 FFAA O=C(NCCc1nccc(C(F)F)n1)Nc1cccc(N2CCC2=O)c1 1875380646 VGZMETYDQKYVLA-UHFFFAOYSA-N 361.352 2.515 0 50 FFAA C=CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 1875383264 MPSWSUFIBCQTPB-LSDHHAIUSA-N 362.420 2.999 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCOc3ccccc3[C@H]2C(F)F)C1 1875382292 XGNTWBROELCKPU-DYVFJYSZSA-N 364.392 2.638 0 50 FFAA Cc1c(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)oc2c(F)cccc12 898237299 IKKBHNQGQFTQBV-JTQLQIEISA-N 357.341 2.711 0 50 FFAA CCC[C@H]1CN(CCC(=O)NCc2ccc(Cl)cc2)C[C@@H]1NC(C)=O 1565513821 CCHGQMAMHNDGBW-WMZOPIPTSA-N 365.905 2.583 0 50 FFAA COc1ccc2[nH]c(C(=O)N[C@H]3CCOC[C@@H]3OCC3CCC3)cc2c1 1565505872 GEPKLKBUVKGGGR-HKUYNNGSSA-N 358.438 2.881 0 50 FFAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cccc3ncccc23)o1 275242654 BPBHALRQHCTXJU-INIZCTEOSA-N 352.394 2.955 0 50 FFAA O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCOc2ccc(F)cc21 171936435 RNXQSDKAMYWVIY-QGZVFWFLSA-N 352.365 2.850 0 50 FFAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccccc1OCc1ccc(F)cc1 282156792 PXTDYJOSHNFJTC-DYVFJYSZSA-N 356.397 2.802 0 50 FFAA CCOc1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1OC 193355757 GGALDRDXEPXBKS-UHFFFAOYSA-N 367.409 2.996 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCCc1nc2c(s1)CCCC2 1506396448 AUAOIMYXMZYPCD-UHFFFAOYSA-N 358.511 2.915 0 50 FFAA O=C(O)c1ccccc1CN1CCCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1 1529168227 YGAXDUBFVHTTAG-USHGBRTNSA-N 368.477 2.711 0 50 FFAA c1ccc([C@@H]2COC[C@@H]3CN(C4CSCCSC4)CCN32)cc1 1616075653 CIMFXRUDQFKEQH-WMZOPIPTSA-N 350.553 2.593 0 50 FFAA CSc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1 15071785 TXAKZTKMIKSLNM-UHFFFAOYSA-N 371.510 2.729 0 50 FFAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)O1 1857701703 YWLYVVIKJQSJJL-CRAIPNDOSA-N 371.481 2.744 0 50 FFAA Cc1ccc(-c2ccnc(N3C[C@@H](O)[C@H](Cc4ccncc4)C3)n2)c(C)n1 1875251445 LNOVVGSWAGCPCB-YLJYHZDGSA-N 361.449 2.590 0 50 FFAA CCc1ccc(-c2nc(C)c(C(=O)N3CCO[C@H](CC(=O)O)C3)s2)cc1 236992916 TYECPOWZCIAJJH-OAHLLOKOSA-N 374.462 2.997 0 50 FFAA CC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3)c2N)cc1 11692964 IYQTVBXRYOJTCS-UHFFFAOYSA-N 355.785 2.958 0 50 FFAA COc1cc([C@H](C)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)ccc1F 903114786 HAJAVNDHTDTAQV-RVZGQZMKSA-N 350.478 2.965 0 50 FFAA Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)[C@@H]2CSCCS2)c1 909640789 QVPUBWGTDPERQZ-AWEZNQCLSA-N 363.464 2.666 0 50 FFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1cnc2ccc(Cl)cn12 858007960 GKBCZYTXPBKEEM-SUMWQHHRSA-N 359.861 2.979 0 50 FFAA CN(Cc1nc(-c2cccc(-n3cncn3)c2)no1)C(=O)c1ccccc1 2325736313 NCPPFNJJJKJACK-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccnn23)CCN1 2325766594 YBAWUZQFQNFTAH-SFHVURJKSA-N 361.449 2.702 0 50 FFAA Cc1nn(C)c(Cl)c1CS(=O)(=O)Cc1conc1C(F)(F)F 2325798849 DOGBEEMIZZRMRH-UHFFFAOYSA-N 357.741 2.504 0 50 FFAA CCCCC(=O)NC[C@H](C)CN(C)C(=O)c1ccc(-c2ncon2)cc1 2325868316 WFSHBLYCQWSRQY-AWEZNQCLSA-N 358.442 2.751 0 50 FFAA C=CC(=O)Nc1cccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)c1 869390049 VMUJASJFEQHBEB-UHFFFAOYSA-N 350.422 2.923 0 50 FFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1 817580 LNRHYGXGXFKQHY-UHFFFAOYSA-N 374.462 2.756 0 50 FFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 915142 WXHWJVYKOCEMJS-HXUWFJFHSA-N 355.390 2.531 0 50 FFAA CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1117573 CGLPGNFXEPESFR-UHFFFAOYSA-N 372.918 2.903 0 50 FFAA O[C@H](CNC1CCCC1)COCCOc1ccc(Br)cc1 3105160 HXKPHRBXPODOET-OAHLLOKOSA-N 358.276 2.738 0 50 FFAA CC(=O)Oc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)O)c1 4824146 VEOHEMTWKKQHAA-UHFFFAOYSA-N 363.753 2.981 0 50 FFAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(F)cc2)c1 6710192 WGHCKGJOXBZGRM-UHFFFAOYSA-N 358.369 2.701 0 50 FFAA COc1cccc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)c1 55062941 PGSQYQQAINORNZ-KRWDZBQOSA-N 353.466 2.695 0 50 FFAA CC[C@H](O)Cn1ccc(-c2cccc(-c3ncc(F)c(N(C)C)n3)c2)n1 20785663 IDGATIJXFAUJAX-HNNXBMFYSA-N 355.417 2.983 0 50 FFAA CCOC(=O)[C@@](C)(CCc1ccc(Br)cc1)S(C)(=O)=O 112927845 CJOAQFZSYPMSKT-CQSZACIVSA-N 363.273 2.748 0 50 FFAA Cc1ccc2c(C)c(C(=O)N3CCCN(C(=O)[C@@H]4CCCO4)CC3)oc2c1 65433227 GKIKTJMFEXTIMC-KRWDZBQOSA-N 370.449 2.903 0 50 FFAA O=C(NCCC1=CSC2=NCCCN12)c1cc(-c2ccccc2F)n[nH]1 101899976 XNPNHBHJSKFDPL-UHFFFAOYSA-N 371.441 2.986 0 50 FFAA O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1C[C@@H]2CC[C@H](C1)N2 67820384 OPLQYQOUBCTRHI-OKILXGFUSA-N 356.426 2.778 0 50 FFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(CO)(CO)C1 67966411 QDHLBJUJDPHAAD-UHFFFAOYSA-N 350.846 2.870 0 50 FFAA Cc1cn(CCNC(=O)c2cccc(NCc3sccc3C)c2)nn1 65407707 MNFRHBRUWMLOJY-UHFFFAOYSA-N 355.467 2.999 0 50 FFAA Cc1cn2c3c(nc2s1)CNC(=O)C[C@@H]3c1ccc2c(c1)OCCO2 65419351 PCSDUJMDZQBBJE-GFCCVEGCSA-N 355.419 2.627 0 50 FFAA O[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@H]1c1ccc2c(c1)OCO2 67822162 YPKTXASLMHAFPW-JKSUJKDBSA-N 365.389 2.820 0 50 FFAA CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1506417498 KUGMZXHEVSPADS-OAHLLOKOSA-N 352.500 2.500 0 50 FFAA CC(C)C[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)c1ncnn1C 65394615 FWUIZGNZZAUDCE-GOSISDBHSA-N 355.486 2.797 0 50 FFAA CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc(C(F)(F)F)cc1 67622348 MLDBFJJWHIBMIQ-UHFFFAOYSA-N 373.356 2.505 0 50 FFAA Cc1ccc(C)c(CC(=O)N(Cc2cncnc2)[C@H]2CCCNCC2)c1 328628425 HFNKGZCLBHLLMC-FQEVSTJZSA-N 352.482 2.807 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC[C@H](C(=O)N4CCCC4)C3)cc2c1 67786262 XBCSYJGDAZBKMQ-INIZCTEOSA-N 353.466 2.671 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)CCn2nnc3ccccc32)C[C@H]1O 67852108 YMPPLEYVQPWAMH-RHSMWYFYSA-N 370.478 2.568 0 50 FFAA COc1ccc2[nH]cc(CC(=O)N[C@H](CO)Cc3ccccc3C)c2c1 239667958 BSHJVVYGOMDSHJ-KRWDZBQOSA-N 352.434 2.747 0 50 FFAA CN(Cc1cc2ccccc2s1)C(=O)c1cn(C[C@H]2CCCNC2)nn1 65507541 CTUTZUSAIGPTHU-AWEZNQCLSA-N 369.494 2.765 0 50 FFAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 332801807 WMFLIMIYXZNFNS-HQRMLTQVSA-N 362.445 2.738 0 50 FFAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc(OCc2ccccc2)c1 65488883 XURZKBIQRPLZJX-AZUAARDMSA-N 355.434 2.764 0 50 FFAA O=C(c1ccco1)N1CCC(N[C@H]2CCN(Cc3ccccc3)C2)CC1 67946308 MVERFZUUWQPQEC-IBGZPJMESA-N 353.466 2.748 0 50 FFAA CNC(=O)c1n[nH]c2c1[C@H](c1cnc(-c3ccccc3C)s1)CC(=O)N2 65399331 DOTBZMSHJPGUIE-NSHDSACASA-N 367.434 2.675 0 50 FFAA Cc1cc(C)n(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(=O)c1 2793093 MIBORYAQHBNUMH-UHFFFAOYSA-N 356.813 2.747 0 50 FFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN1C1CCCCCC1 39551270 WHGZTNSNEXGTBW-GOSISDBHSA-N 354.458 2.788 0 50 FFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 77472606 SBEXSCJLLQIFNN-QGZVFWFLSA-N 355.438 2.934 0 50 FFAA CCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)C[C@H]1C=CCC1)CC2 72410523 NHYRXWANGUCQLY-INIZCTEOSA-N 354.498 2.923 0 50 FFAA CCn1ccnc1CN1CCC2(CC1)CN(CCc1ccccc1)C(=O)O2 72474180 RWDDPTASGIPGDU-UHFFFAOYSA-N 368.481 2.933 0 50 FFAA COc1cc2c(cc1CN1CCNC(=O)[C@H]1c1cccc(F)c1)CCC2 216068469 NYJYICIOLKPLFS-HXUWFJFHSA-N 354.425 2.996 0 50 FFAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1cccc(OC(F)F)c1 219567623 PEQQLIJWFBLOSQ-YYIAUSFCSA-N 366.408 2.660 0 50 FFAA COc1ccc(-c2nc(CN(C)Cc3cnc(N)nc3)c(C)o2)c(F)c1 71753568 OXWWNWQZIKPIDJ-UHFFFAOYSA-N 357.389 2.802 0 50 FFAA Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC4(CCCO4)CC3)c2n1 72152678 DPIMAGUECDTHIO-UHFFFAOYSA-N 368.359 2.842 0 50 FFAA O=C1NCCN(C(=O)/C=C/c2cccnc2)[C@H]1c1c(F)cccc1Cl 372071034 BQXOSRKJJKJFHK-LXXRFIIISA-N 359.788 2.587 0 50 FFAA CC(C)c1nnc2n1CCN(c1nccc(CCC(F)(F)F)n1)CC2 71749988 SKLYKLWFFHHAGC-UHFFFAOYSA-N 354.380 2.749 0 50 FFAA C[C@H]1NCCC[C@@H]1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 262851749 ZSXRXBUJDYZBBH-BEFAXECRSA-N 364.449 2.784 0 50 FFAA CO[C@H]1CCCN(Cc2cc3n(n2)CCCN(Cc2cccc(C)n2)C3)C1 72147120 ICIVNPRXBPOPIF-NRFANRHFSA-N 369.513 2.603 0 50 FFAA CN(C)[C@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1 179365711 ZJVUSVOTOKKCTM-IRXDYDNUSA-N 353.470 2.691 0 50 FFAA Cc1ccc(F)c(OCC(=O)NC2CCN(Cc3cccnc3)CC2)c1 177907926 LGVURETTYBIYNK-UHFFFAOYSA-N 357.429 2.689 0 50 FFAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 290507257 FMZCWBDMFVZGGG-HXUWFJFHSA-N 359.445 2.552 0 50 FFAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCc2ccccc2O1 221239287 MPMDREWHBUQWOB-IBGZPJMESA-N 350.418 2.823 0 50 FFAA CC(C)(C)n1ncnc1CNC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 291035497 KLPOBOZLYDVRDP-CYBMUJFWSA-N 361.877 2.829 0 50 FFAA O=C(CCN1Cc2ccccc2C1=O)N1CCCN(c2ccccc2)CC1 220751515 WZDQGNBUOHEYOD-UHFFFAOYSA-N 363.461 2.771 0 50 FFAA N[C@H]1C[C@H](c2nnc(CNCc3ccc4c(c3)CCCC4)n2C2CC2)C1 220697246 KEXVEHLTZDUJFG-HDICACEKSA-N 351.498 2.986 0 50 FFAA COc1ccc(C2(C(=O)N(C)Cc3nnc(C)o3)CCCC2)cc1OC 426496969 OEIWCFNZUQLAMB-UHFFFAOYSA-N 359.426 2.866 0 50 FFAA CC(C)C[C@H](NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1)C(=O)O 426647062 JSTZLZLNNJUYRT-ZDUSSCGKSA-N 350.444 2.779 0 50 FFAA COc1ccccc1CCNC(=O)N1CCCN(c2ccnc(C)c2)CC1 426360415 QOCAHMLZUBSWBV-UHFFFAOYSA-N 368.481 2.863 0 50 FFAA CNC1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 179145186 WWUYIZIJZXYHBI-UHFFFAOYSA-N 352.360 2.715 0 50 FFAA CC1(C)CN(C(=O)Nc2nc3c(s2)COCC3)C[C@@H](C(F)(F)F)O1 293414780 SIIFLTOXZKVBCN-JTQLQIEISA-N 365.377 2.789 0 50 FFAA CC(=O)NCc1cc2n(n1)CCN(Cc1nc(-c3ccccc3)cs1)C2 82092672 ROCKRGJKJGQMPU-UHFFFAOYSA-N 367.478 2.659 0 50 FFAA Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 91595801 NRTIMOWCRRZRBO-ZWKOTPCHSA-N 368.481 2.610 0 50 FFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)Cc1cccc(OCCN)c1 426402187 YRNKXCWLGQGDHP-UHFFFAOYSA-N 355.413 2.846 0 50 FFAA Cc1noc(C)c1CCCNC(=O)[C@H](C)c1nnc(O)c2ccccc12 426509945 GENBIDOWRFMKJP-LLVKDONJSA-N 354.410 2.793 0 50 FFAA CC[C@@H](NC(=O)c1cnc(C)nc1-c1ccccc1)c1ncnn1CC 426494723 YVYQZHGXZKLOBI-MRXNPFEDSA-N 350.426 2.945 0 50 FFAA O=C(CCc1n[nH]c2c1CCCC2)NCCN1CC[C@H](c2ccccc2)C1 96140749 CPODTARBNWGDHL-SFHVURJKSA-N 366.509 2.827 0 50 FFAA O=C1C[C@@H](C(=O)N2CCC(c3nccn3CC3CC3)CC2)C2(CCCC2)O1 95387013 GHMBXSPLGYBAOO-KRWDZBQOSA-N 371.481 2.875 0 50 FFAA COc1ccc(NC(=O)N2CCCN(C)C3(CCNCC3)C2)cc1Cl 97499600 MBHNWPSPACFBGP-UHFFFAOYSA-N 366.893 2.640 0 50 FFAA O=C(O)[C@H](c1ccc(N2CCCCC2)nc1)N1CCC(N2CCCC2)CC1 95384035 QKCOHNATUDAFDU-FQEVSTJZSA-N 372.513 2.758 0 50 FFAA CCCCn1ccnc1[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 95500805 GIMULNSTQUUVST-KRWDZBQOSA-N 368.547 2.983 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1c(F)cccc1Cl)C2 91320268 FYINJMDBDVHSED-QWHCGFSZSA-N 367.852 2.626 0 50 FFAA COCc1nc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)no1 95503445 OYGYHQKWFKKVBF-KRWDZBQOSA-N 356.470 2.670 0 50 FFAA O=C(Cc1ccncc1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95502862 KMIUNVYJDSOWNE-IBGZPJMESA-N 361.449 2.670 0 50 FFAA CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(Cc1cccc(C(F)(F)F)c1)C2 91595013 WLQNIZROIFJJQJ-DOTOQJQBSA-N 369.431 2.690 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(Cl)ccc1O)CC2 91594212 NOFWVSOHDPIOMI-UHFFFAOYSA-N 374.872 2.778 0 50 FFAA O=C(c1ccccn1)N1CCC(C(=O)N2CCC[C@@H]2c2nccs2)CC1 243932073 BSDILYAQPBHCTH-MRXNPFEDSA-N 370.478 2.754 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 299747615 DKFLKNCHKFSRKF-IRXDYDNUSA-N 367.401 2.918 0 50 FFAA C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[C@]2(C1)OCc1ccccc12 185074336 AXUMHYCHQJFESI-BFUOFWGJSA-N 356.447 2.524 0 50 FFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCCC3)N=C2O)cc1 252553276 VJABMBOBRRLIRL-QGZVFWFLSA-N 373.453 2.549 0 50 FFAA COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1c1ccc(C)cc1C 252445448 GDARBXUVMYRJPW-BEFAXECRSA-N 371.481 2.959 0 50 FFAA O=C(Nc1ccc2scnc2c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 364502457 SIAGTNTUSLPEAZ-LBPRGKRZSA-N 352.419 2.679 0 50 FFAA Cc1nn(C)cc1-c1ccnc(N[C@@H](C)c2ccc(-n3cncn3)cc2)n1 48187703 LBNGBJWNJSCJTJ-ZDUSSCGKSA-N 360.425 2.939 0 50 FFAA COc1cc(F)c(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)c(F)c1 299777656 NZBTVIXHOQOSKH-AWEZNQCLSA-N 361.392 2.763 0 50 FFAA O=C(N1CC[C@@H]2OCc3cnnn3[C@H]2C1)C1(c2ccccc2)CCCCC1 299791525 GMYVRYQDQSWCMC-OALUTQOASA-N 366.465 2.852 0 50 FFAA Cc1ccc2nc([C@@H](NC(=O)c3cnn4ccn(C)c34)C(C)C)[nH]c2c1 584886495 IXZUYGCYESDSEL-INIZCTEOSA-N 350.426 2.985 0 50 FFAA O[C@@H]1CCCN(c2ccnc(NCCCc3nc4ccccc4s3)n2)C1 584899923 COIXBLUZNOHVLB-CQSZACIVSA-N 369.494 3.092 0 50 FFAA C=CC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 1875371941 QZVFUVRVWPPGQQ-DOMZBBRYSA-N 371.264 2.568 0 50 FFAA Cc1nccn1CC[C@@H](NC(=O)/C=C/c1cnc(N)nc1)c1ccccc1 952980173 YJHDSPYNBQRIFX-LKGOPFMKSA-N 362.437 2.525 0 50 FFAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cccc4c3OCO4)C2)ccn1 886044875 LJJDRMQRDUBMGF-GOSISDBHSA-N 355.438 2.525 0 50 FFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC(c3cc(CO)on3)C2)c1 886086075 QBRUEHRHYJCAPU-CQSZACIVSA-N 358.438 2.992 0 50 FFAA CO[C@H]1CCCN(C(=O)NCCc2nccn2Cc2ccccc2)CC1 888093204 VDKINENVXTUKDF-SFHVURJKSA-N 356.470 2.684 0 50 FFAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 170598485 NDKQGCZXJFSIIE-ZWKOTPCHSA-N 358.388 2.986 0 50 FFAA CN1C(=O)CCc2cc(C(=O)N3CCCCC[C@@H]3c3ncon3)ccc21 189655860 DCEPMNGFRJJUPH-MRXNPFEDSA-N 354.410 2.736 0 50 FFAA O=C(NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@H]1Cc2ccccc21 744113831 GONQDXGFAQLTMZ-LBPRGKRZSA-N 373.327 2.989 0 50 FFAA Cc1c(C(=O)N2CCc3cnccc32)nnn1Cc1ccc(F)cc1F 191905784 GDYRPNBPEFNSDW-UHFFFAOYSA-N 355.348 2.511 0 50 FFAA C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1(C)CCCCC1 193447284 FSHBDSAIMNTJQY-LBPRGKRZSA-N 358.891 2.846 0 50 FFAA Cc1cccc(NC(=O)CC(=O)N[C@@H](CC(=O)O)c2ccccc2)c1C 1506396063 BDQFRVJPZJLISN-KRWDZBQOSA-N 354.406 2.964 0 50 FFAA COCCN1CC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3F)cn2)C1 1506420963 CLAWBBPKBNDJOE-CQSZACIVSA-N 361.392 2.934 0 50 FFAA COc1ccc2oc(CNC3CCN(C(=O)c4ccncc4)CC3)nc2c1 1506407364 NOJWUUQUHNGOBK-UHFFFAOYSA-N 366.421 2.626 0 50 FFAA Cc1ccc(F)c(NC(=O)CN(C)Cc2nc(-c3ccncc3)no2)c1 1529112024 FZSYSDCFSMAZAR-UHFFFAOYSA-N 355.373 2.650 0 50 FFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 1114436 JLTLXEFNRIBPCX-DCQHUWKXSA-N 354.450 2.511 0 50 FFAA Cc1cccn2ncc(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)c12 1772711513 ZMWKCQFTYJGAKP-UHFFFAOYSA-N 360.417 2.769 0 50 FFAA COc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1Cl 11693026 NYTDZNDYDIAHQU-UHFFFAOYSA-N 361.764 2.903 0 50 FFAA COc1ccc(Cc2nc3ccc(C(=O)N[C@H]4CCOC4)cc3o2)cc1 11999067 JOKKDLMBGMEQRK-HNNXBMFYSA-N 352.390 2.946 0 50 FFAA O=C(NCCOc1cccnc1)c1cc(Cn2ccc3ccccc32)[nH]n1 12304777 ZEFRLROCUMDLEB-UHFFFAOYSA-N 361.405 2.617 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)CCO2)cc1 12308085 CAWDGKINJAZXDK-HXUWFJFHSA-N 354.450 2.845 0 50 FFAA O=C(C1CC1)N1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc(F)cc(F)c2)C1 14878842 XMCVFJLKPBOFHJ-QAPCUYQASA-N 362.420 2.757 0 50 FFAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CN3CCCC3=O)C2)cc1 15073945 MGFRCYPEPNAOQY-FQEVSTJZSA-N 371.525 2.588 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3CCC(c4ccncn4)CC3)ccc2O1 333930302 YZVYDZBHYBPAOO-UHFFFAOYSA-N 373.478 2.758 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@H]3C(=O)O)c2C)cc1 237851428 YNCHOPWHJVXCJE-IBGZPJMESA-N 369.465 2.865 0 50 FFAA Cc1ccc(C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 239352225 ABQHJDBRAIJFJS-UHFFFAOYSA-N 353.422 2.895 0 50 FFAA Cc1nnnn1-c1cccc(NC(=O)c2cccc(Oc3cnccn3)c2)c1 134464288 KHDWNEZUNVKYRB-UHFFFAOYSA-N 373.376 2.805 0 50 FFAA COc1ccc(CCN(C)[C@H]2CCCN(Cc3c[nH]c(C)n3)C2)cc1OC 19228085 MZBVIAAVHXRPNU-IBGZPJMESA-N 372.513 2.874 0 50 FFAA CC[C@H](OC1CCCC1)C(=O)N1CCc2c(nnn2-c2ccccc2)C1 366379471 QECSETPALVKPBQ-IBGZPJMESA-N 354.454 2.890 0 50 FFAA C[C@@]1(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)O)c2)CC1(F)F 263099500 CRMILMWIBTWBRQ-DYVFJYSZSA-N 366.364 2.750 0 50 FFAA CS(=O)(=O)N(Cc1nc(-c2cccs2)no1)Cc1ccccc1F 4511471 VXCXLHJOLAVUKM-UHFFFAOYSA-N 367.427 2.899 0 50 FFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1 822752 LFDHUGQGAHVAKF-UHFFFAOYSA-N 360.479 2.769 0 50 FFAA Cc1cc(-c2nn[nH]n2)ccc1CN1C[C@H](N2CCCC2)C[C@H]1C(C)C 2325826189 SSGCKPCJUYCKEX-MOPGFXCFSA-N 354.502 2.870 0 50 FFAA CCNC(=O)C1(NC(=O)[C@@H]2CSC(c3ccccc3)=N2)CCCCC1 2325826957 QTHGQIFPOILRSL-HNNXBMFYSA-N 359.495 2.504 0 50 FFAA CC[C@H]1C(=O)NCCCN1C(=O)c1c(C)nn(Cc2ccccc2)c1Cl 906447759 GKSGSSHGDPFPOG-HNNXBMFYSA-N 374.872 2.634 0 50 FFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CN3CCCCCC3=O)[nH]c2c1 142319001 DVNMCAFXLIMIIK-KRWDZBQOSA-N 354.454 2.937 0 50 FFAA O=C(NC(=S)Nc1ccc(O)cc1)c1cncc(Br)c1 678548 ZWJOCCQJEWYIQF-UHFFFAOYSA-N 352.213 2.677 0 50 FFAA COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 827493 JMZPVQJYZVOLNK-UHFFFAOYSA-N 363.435 2.680 0 50 FFAA CC(C)CC[C@H]1[C@H]2C[C@H](CN(C(=O)c3ncc[nH]c3=O)C2)[C@@H]2CCCCN12 2356156925 WYQCFUHPXIOCCU-OWSLCNJRSA-N 372.513 2.521 0 50 FFAA Cc1cccc(C)c1NC(=O)Cn1c(SCC(N)=O)nc2ccccc21 2848067 YMXIHQQYOFPJEF-UHFFFAOYSA-N 368.462 2.869 0 50 FFAA CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 2877341 JIKHWSGPDOKOOX-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA COc1cccc(CCC(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c1 2356168421 CLXXAKDEWJXVRT-OAQYLSRUSA-N 356.466 2.774 0 50 FFAA COc1cc2c(cc1CN1CCC[C@@]13CCCN(C(C)C)C3=O)OCCO2 2356170249 BVFRZFAZNLJVGN-NRFANRHFSA-N 374.481 2.832 0 50 FFAA O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 6872688 ZMJFVNFNQHMPAE-UHFFFAOYSA-N 369.352 2.672 0 50 FFAA OC1CCN(CCNCc2cnc(-c3ccc4ccccc4c3)nc2)CC1 55309483 QGLQJPUOBNHKDF-UHFFFAOYSA-N 362.477 2.843 0 50 FFAA CN(CC(C)(C)CN1CCOCC1)[C@@H]1CCCN(CCc2ccccc2)C1 20205833 PPEYNQBQDLCFFK-JOCHJYFZSA-N 373.585 2.984 0 50 FFAA NCC(F)(F)CNC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 427176872 IOKJCXJCXNXJPH-UHFFFAOYSA-N 362.405 2.925 0 50 FFAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(F)ccc1F 433499424 CMVAJMZOJUGTQF-ZBEGNZNMSA-N 353.390 2.978 0 50 FFAA N=C(O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3C[C@@]34CCOC4)cc2)C1 329633280 WOOVPWXGABDQHV-WRWLIDTKSA-N 357.454 2.799 0 50 FFAA CC(C)CN1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 124308151 BEKNRKQPSYHZGF-CQSZACIVSA-N 359.445 2.765 0 50 FFAA COC(=O)CN(C)Cc1cccc(C(=O)Nc2c(C)cc(C)nc2C)c1 65495558 VYASFUXZMPVGOU-UHFFFAOYSA-N 355.438 2.864 0 50 FFAA CCc1nnc(-c2nc3c([nH]2)C[C@H](c2cccc(OC)c2)CNC3=O)s1 65397176 JMRDKFBCDBMMPP-NSHDSACASA-N 369.450 2.569 0 50 FFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)N[C@@H]1CCc3c[nH]nc3C1)C2 333469138 DBRLLVLUBZLMGN-OAHLLOKOSA-N 370.453 2.658 0 50 FFAA COc1cc2nc(NCCCn3nc(C)cc3C)nc(N)c2cc1OC 301239800 LVPJUBHRUAFXDI-UHFFFAOYSA-N 356.430 2.545 0 50 FFAA CCOC(=O)c1c(C)nc2cc(C(=O)Nc3cccnc3Cl)nn2c1C 2743811 VNGQBEKQISUQPK-UHFFFAOYSA-N 373.800 2.824 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)no1 72132083 NJLBIKZELBYDBL-MRXNPFEDSA-N 373.428 2.586 0 50 FFAA NC(=O)NCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71759069 QKMLWMRXSKLIBY-GFCCVEGCSA-N 357.376 2.545 0 50 FFAA Cc1ccn(-c2ccccc2CNC(=O)c2ccc(N3CCCC3)nn2)n1 152052145 UNLROTHLWPOEBR-UHFFFAOYSA-N 362.437 2.501 0 50 FFAA CCn1nc(C)c(C(=O)N2CC[C@@H](Cc3cccc(C(=O)O)c3)C2)c1C 72155875 ONLLUQYBBUZSEI-INIZCTEOSA-N 355.438 2.923 0 50 FFAA Cn1ncc(Cl)c1C(=O)NC[C@H](O)COc1ccc(C(C)(C)C)cc1 215630892 UPKGMOAVWXVYGN-ZDUSSCGKSA-N 365.861 2.541 0 50 FFAA COc1ccc([C@H](C)NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1F 363129223 DBWSXMNRIPRLTH-KBPBESRZSA-N 360.433 2.903 0 50 FFAA CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cncc(-c2cnn(C)c2)c1 363503332 CHPGALQFIPQVMF-UHFFFAOYSA-N 364.405 2.873 0 50 FFAA O=C(C1=CCCCC1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 15075481 IHUTWOSEEXSTBU-CQSZACIVSA-N 368.524 2.765 0 50 FFAA CC(C)c1nc(CNC(=O)c2ccc(-c3ccc4c(c3)OCO4)nc2)no1 71758982 TVXDQNXRHVRAGL-UHFFFAOYSA-N 366.377 2.914 0 50 FFAA Cc1cccc([C@@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)C2CC2)n1 216535185 ORVOJDQYEZAKFK-HNNXBMFYSA-N 368.462 2.888 0 50 FFAA Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)C[C@H](C(=O)O)N(C)C2 72161776 LUIJUEPGLPAIRE-CYBMUJFWSA-N 365.499 2.586 0 50 FFAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc3nc(S)oc3c1)CC2 175191521 PNBQRYVVBYUBDN-GJZGRUSLSA-N 362.451 2.509 0 50 FFAA CC[C@@H](NC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)c1ccncc1 175933918 LAVVJCZHDHCWPP-OAHLLOKOSA-N 367.413 2.647 0 50 FFAA CCOc1cc2c(cc1OCC)CN(C(=O)Nc1ccc(OC)nn1)CC2 499498030 CQQGOYKZWYZPDJ-UHFFFAOYSA-N 372.425 2.873 0 50 FFAA COC(=O)N1CCCC[C@@H]1C(=O)N1CCC(OCc2ccccc2)CC1 82091223 CNRPUSUBRDFDNZ-GOSISDBHSA-N 360.454 2.815 0 50 FFAA CCCc1nc(CNC(=O)c2ccc(N3CCN(C)CC3)cc2)cs1 223394547 DDAIVNBWNFDRNT-UHFFFAOYSA-N 358.511 2.777 0 50 FFAA CCNc1nc(C)c(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 223926098 GDYAUDOTQIHASX-LBPRGKRZSA-N 362.430 2.558 0 50 FFAA CCN1CC[C@H](CNC(=O)N(CC)CCc2nc3ccc(F)cc3[nH]2)C1 426440276 LTRRAPSFCKQWBH-CQSZACIVSA-N 361.465 2.618 0 50 FFAA COc1cc([C@@H](C)N2CC3(CCNCC3)CCC2=O)cc(OC)c1OC 91876421 XHDLFIUJSYALLM-CQSZACIVSA-N 362.470 2.766 0 50 FFAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCCNc1cccnc1 97480418 FPTCVJFZFZRXGF-UHFFFAOYSA-N 362.433 2.857 0 50 FFAA CCN(C(=O)c1cccc(-c2cc(F)ccc2C(C)=O)c1)[C@H]1COC[C@@H]1O 426511700 PDDZQWABXLEZME-PMACEKPBSA-N 371.408 2.917 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc2c1OCO2 91493831 SFHMTUAFHVVEOD-DLBZAZTESA-N 372.465 2.647 0 50 FFAA CC(C)(C)N1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)CC1=O 91915103 WYKUSGGXEHXBPL-GFCCVEGCSA-N 358.360 2.848 0 50 FFAA CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1cc3c(cc1Cl)OCO3)C2 91461255 ADAGTNAHNKCZOT-TZMCWYRMSA-N 365.861 2.647 0 50 FFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCN(c4cnccn4)CC3)c2c1 91304291 MSABZJOQBHJVJO-UHFFFAOYSA-N 363.465 2.774 0 50 FFAA O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1cccs1)CC2 95519273 MIIOHNDZWUYEML-UHFFFAOYSA-N 356.495 2.757 0 50 FFAA O=C(Cn1cc2ccccc2n1)N1CCC(OC[C@@H]2CCCCO2)CC1 330214631 GIGSRNGWGBHLEQ-SFHVURJKSA-N 357.454 2.613 0 50 FFAA Cc1ccc(NCCCNC(=O)[C@H]2CCCN(Cc3ccco3)C2)nc1 95508060 OYFDOEZTAWVYQW-KRWDZBQOSA-N 356.470 2.813 0 50 FFAA Cc1nc(C2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)no1 92787852 QERPMJGWCBHJGS-UHFFFAOYSA-N 367.453 2.555 0 50 FFAA Cc1cc([C@@H]2CCCCN2C(=O)CCc2c(C)nc3ncnn3c2C)no1 244758176 OTODJRQGHWTMPT-KRWDZBQOSA-N 368.441 2.724 0 50 FFAA Cc1cc(F)ccc1NC(=O)CN1CCC([C@H](O)c2ccccn2)CC1 244695618 JPKHBFHCSLQMCM-FQEVSTJZSA-N 357.429 2.913 0 50 FFAA Cc1ccc(C)n1CCCC(=O)NCCn1c(CO)nc2ccccc21 253412673 RRQUMPZVVSQGGP-UHFFFAOYSA-N 354.454 2.544 0 50 FFAA CCn1nc(C)cc1S(=O)(=O)N[C@H](C)c1nc2c(s1)CCCC2 534576157 DMGQEPJERDZAEA-LLVKDONJSA-N 354.501 2.586 0 50 FFAA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cncc(N(C)C)n2)cc1 534648688 KKOAJLKMYBLDNP-CQSZACIVSA-N 362.437 2.833 0 50 FFAA CN(C[C@H](O)c1ccccc1)C(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 299763483 WIEOLASOSJQNDP-RBUKOAKNSA-N 356.397 2.705 0 50 FFAA COCC1(N(C)S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 657069552 VZFUFLZCUOGPIF-UHFFFAOYSA-N 354.255 2.802 0 50 FFAA COc1coc(C(=O)N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cc1=O 670462617 WDVPIXJTHKEABI-QGZVFWFLSA-N 355.394 2.960 0 50 FFAA Cc1cccc(C)c1CN1CC[C@](C)(NC(=O)c2cc(C(N)=O)cs2)C1 1875309751 LQPYWWJZMRQZTP-FQEVSTJZSA-N 371.506 2.858 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(OCc4ccccc4F)C3)n[nH]c21 1875396638 PNMZULBVAFXGGY-NEPJUHHUSA-N 359.401 2.612 0 50 FFAA CC1(C(=O)NC[C@H](NC(=O)C[C@@H](O)c2ccccc2)C2CC2)C[C@@H]2C[C@H]2C1 1875358259 PFCRPWYJMMYCQW-CADBVGFASA-N 370.493 2.557 0 50 FFAA CN(C)c1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cc1 278823990 YDLWQHMKTFHUGG-UHFFFAOYSA-N 362.451 2.916 0 50 FFAA C[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 412582487 DKSZMWUEBVCFJX-KYNGSXCRSA-N 354.425 2.732 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 194517521 CQBCDJZENZGBHA-SPNRQUNLSA-N 357.372 2.891 0 50 FFAA O=C(NC[C@@H]1CCCN(c2ncccc2F)C1)c1cnc(C2CC2)nc1 1506410297 KAYLYWYLMLHFLV-ZDUSSCGKSA-N 355.417 2.535 0 50 FFAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)c3cnn4ccccc34)CC[C@@H]21 216835427 SSJOJDQDUXFJIT-WBVHZDCISA-N 354.454 2.588 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@H]2O)on1 1704301029 HBKCPIJSOGRIHN-CZUORRHYSA-N 356.344 2.917 0 50 FFAA COc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1OC 799614 BVZMPEILYYRQQH-CSKARUKUSA-N 351.406 2.952 0 50 FFAA biogenic Cc1nc(CN2C[C@H](Cc3ccc4ccccc4n3)[C@@H](O)C2)n(C)c1C 1616074532 FTIIBICTVACLFJ-PXNSSMCTSA-N 350.466 2.621 0 50 FFAA Cc1cc(C)n(C[C@@H](C)N2CCCN(C(=O)Cc3ccsc3)CC2)n1 1772805226 IEFWEFHMKYRUKI-QGZVFWFLSA-N 360.527 2.727 0 50 FFAA Cc1cnc(C(=O)N2CCCN(c3ncccc3C(F)(F)F)CC2)cn1 1772808965 HIFGLJQUIBYEIF-UHFFFAOYSA-N 365.359 2.551 0 50 FFAA COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1 11945064 WQTNQFFMHWWYMP-FQEVSTJZSA-N 362.445 2.831 0 50 FFAA Cc1ccc(CNC(=O)c2cn(Cc3ccccc3F)nn2)c(F)c1F 12209310 QWLFLMMUMKLCOE-UHFFFAOYSA-N 360.339 2.982 0 50 FFAA CCc1cc(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)n(C)n1 12209655 MRYCCABWZGVHSB-HXUWFJFHSA-N 359.445 2.579 0 50 FFAA CC(C)(C)CN1CCC[C@@](O)(CNCc2c[nH]nc2-c2ccccc2)C1=O 12300188 IAQZHTRDJBHRNY-OAQYLSRUSA-N 370.497 2.566 0 50 FFAA CN(C(=O)CCN1CCCCO1)[C@@H]1CCCN(Cc2ccccc2F)C1 12315321 RPFVCNLTCWAZHJ-GOSISDBHSA-N 363.477 2.666 0 50 FFAA COc1ncccc1C(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 12373783 ASODEZBJPZVJBY-SFHVURJKSA-N 353.466 2.917 0 50 FFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1CCc1cccs1 12389205 PLCKZZJESOTHEF-UHFFFAOYSA-N 365.340 2.762 0 50 FFAA CN(Cc1cccnc1)Cc1ccccc1OC[C@@H](O)CN1CCCCC1 12448708 CCJYFNZGBLLTAD-NRFANRHFSA-N 369.509 2.939 0 50 FFAA Cc1cc2c(cc1CN[C@H]1CC(=O)N(Cc3cccc(F)c3)C1)OCO2 12710576 XUSWMGNGIXFEHP-KRWDZBQOSA-N 356.397 2.754 0 50 FFAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccncc3)C2)CC1 19772129 YWONLIDLFZLPNU-FQEVSTJZSA-N 366.509 2.877 0 50 FFAA COc1cccc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c1 19773899 AXFOHXKNPIYIKQ-UHFFFAOYSA-N 370.449 2.670 0 50 FFAA Cc1ccc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19823022 RTEIMCYKUJPKRL-UHFFFAOYSA-N 352.434 2.611 0 50 FFAA CCOC(=O)CN1CCC[C@@H]1c1ccc(C(=O)NCc2ccccn2)s1 19852040 KNHZAAPUQSSALS-OAHLLOKOSA-N 373.478 2.773 0 50 FFAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3ccc(N4CCCC4)cc3)C[C@H]2CO1 1857724128 NADCPYSNDLUQNB-YZGWKJHDSA-N 357.498 2.514 0 50 FFAA C[C@@H]1OCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 331709954 BRGQRPNBUDJIFK-JOYOIKCWSA-N 366.215 2.540 0 50 FFAA Cc1cc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)n(C)n1 491436583 ZBECZVAYHZJUNQ-NSHDSACASA-N 355.364 2.501 0 50 FFAA CCCn1cc(C(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)c(C)n1 1704326627 KDOHGKNHKBONBL-FQEVSTJZSA-N 353.470 2.820 0 50 FFAA C[C@H]1C[C@@H]1c1nnc2ccc(=NCCCc3ccnc(C(C)(C)C)n3)[nH]n12 2325750608 JSFRIKKZXZTQPT-ZFWWWQNUSA-N 365.485 2.802 0 50 FFAA Cc1cccnc1C[C@@H]1NC(=O)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O 2325776855 FKOYZLGSZGLBGU-ZWKOTPCHSA-N 351.450 2.586 0 50 FFAA O=C(CNC(=O)N1CCc2ccccc2C1)N[C@@H]1CCCc2ccccc21 109927587 PDAHVKAEAPDHJM-HXUWFJFHSA-N 363.461 2.948 0 50 FFAA O=C1NCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H]1c1ccccc1 129501271 OYARCXXZRNZVKA-FQEVSTJZSA-N 363.461 2.596 0 50 FFAA COc1ccccc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 808663 DFPGCVDNJBLGFY-QGZVFWFLSA-N 352.390 2.955 0 50 FFAA Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)s1 1060684 DXXUOJJWQFYOEF-UHFFFAOYSA-N 358.423 2.741 0 50 FFAA COc1ccc(CCNC(=O)CC[C@@H]2COc3ccccc3O2)cc1OC 1079674 FLKQPSOYSALBKJ-MRXNPFEDSA-N 371.433 2.983 0 50 FFAA CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(OC)cc2OC)C1 1120864 FOLUQVSQXWMLSL-GFCCVEGCSA-N 352.456 2.676 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3cc(O)nc(C)n3)C2=O)cc1 2356148027 CZLRBDYVTNNSHQ-NRFANRHFSA-N 366.465 2.961 0 50 FFAA OC1CCN(c2cncc3ncc(-c4cccc5c4OC(F)(F)O5)n23)CC1 2356153405 FHQCPJHIFQXDTO-UHFFFAOYSA-N 374.347 2.679 0 50 FFAA CCCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(-c2cccnc2)nc1C 2356166455 YLIZGLZVEZXNHT-ROUUACIJSA-N 351.454 2.546 0 50 FFAA Cc1cc(I)ccc1OCCNC[C@H]1CCCO1 4841461 FEUWZIYISJEWMT-CYBMUJFWSA-N 361.223 2.747 0 50 FFAA Cc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 6328684 FNACPMSMRNITNM-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA CO[C@H]1Cc2ccccc2N(C(=O)c2cc(C)nc3c2c(C)nn3C)C1 282843990 AWIBJLXNNHFNHR-HNNXBMFYSA-N 350.422 2.803 0 50 FFAA O=C(CCSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1 9194129 AXHJVFYBHALHOF-UHFFFAOYSA-N 360.830 2.832 0 50 FFAA Cc1ccc(NC(=O)c2ccc(CN(C)[C@@H](C)c3nc(C)no3)cc2)nn1 65393425 CPFCOHWVCXYSKH-ZDUSSCGKSA-N 366.425 2.922 0 50 FFAA COc1ccc(CN2CCC[C@H](N(C)Cc3nccc(N)n3)CC2)cc1F 328630342 JHBMVXHDJQTCSE-INIZCTEOSA-N 373.476 2.693 0 50 FFAA Cc1cccnc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 61718885 WKEJFJZYPKCAPM-UHFFFAOYSA-N 354.797 2.906 0 50 FFAA COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Nc4c3c(C(C)C)nn4C)cc2c1 65536225 NQNHFBNPRBROGC-CYBMUJFWSA-N 366.421 2.868 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN(C)Cc3nc(-c4ccncc4)no3)cc2c1 67946975 SQVZAGLRUSYGAO-UHFFFAOYSA-N 361.405 2.914 0 50 FFAA CC1=NN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)[C@](O)(C(F)(F)F)C1 653415 YMFREOZEWZRHIZ-OAHLLOKOSA-N 370.331 2.614 0 50 FFAA Cc1cccc2c1OCC[C@H]2NS(=O)(=O)CCc1scnc1C 333388571 GNPQESWOIUSELR-CQSZACIVSA-N 352.481 2.746 0 50 FFAA CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N1CCc2ccccc21 252500419 SVIZMZQOCGLAPV-UHFFFAOYSA-N 355.413 2.947 0 50 FFAA CCN(CC)C[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C 2781993 IQDUKKWEZWVGJI-VIFPVBQESA-N 354.804 2.710 0 50 FFAA COc1cn(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(C)cc1=O 217730552 DOVLPRYDVHWUIR-UHFFFAOYSA-N 373.840 2.659 0 50 FFAA biogenic CCc1ccc(CNC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 253431345 VKMKHEXJEUECNR-UHFFFAOYSA-N 356.470 2.527 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N(Cc1ncc[nH]1)c1cccc(F)c1 479371283 MCUBLHVOJAHXEG-QGZVFWFLSA-N 353.353 2.922 0 50 FFAA COc1ccc(Cl)cc1CN1CCCc2ccc(S(N)(=O)=O)cc21 174682230 LMBOBYYLCVFKOU-UHFFFAOYSA-N 366.870 2.949 0 50 FFAA CC(C)c1cc(N2CCC[C@H](C(=O)c3nccn3C)C2)n2nccc2n1 72173811 DXMDRONFFKAKDG-AWEZNQCLSA-N 352.442 2.686 0 50 FFAA Cc1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(=O)oc2ccccc12 363493650 SEGXBVPBNCKMPS-AWEZNQCLSA-N 353.378 2.729 0 50 FFAA CN(C)c1n[nH]c(C2CCN(c3ncnc4c3oc3ccccc34)CC2)n1 285470951 CGRTUHNSRYAHBX-UHFFFAOYSA-N 363.425 2.944 0 50 FFAA CCC(CC)c1nnc(NC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)s1 370508752 QLAMXSQSRASMEU-GFCCVEGCSA-N 368.503 3.244 0 50 FFAA Cc1ccc(NC(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)cc1 72140638 YWYNPERYSOBZHH-UHFFFAOYSA-N 365.441 2.821 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1(Cn2cccn2)CC1 72409561 WNVIFTQJXHAXBS-UHFFFAOYSA-N 363.465 2.825 0 50 FFAA COc1ccc(OC)c([C@H](C)NC(=O)CN2CCOC3(CCCC3)C2)c1 157968498 RTYSQSOFVIVYTO-HNNXBMFYSA-N 362.470 2.526 0 50 FFAA Cc1ccc(/C=C/CC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1 375775560 PATOOMADBJSOJK-QMUYELLFSA-N 356.466 2.527 0 50 FFAA COc1cc2c(cc1CN1CCC(c3noc(C)n3)CC1)OCCCO2 216458232 PTXVAKSSUKRUEP-UHFFFAOYSA-N 359.426 2.928 0 50 FFAA CCCCOC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1 77407356 LUQJGMRYNXSADS-UHFFFAOYSA-N 366.483 2.766 0 50 FFAA O=C1COc2cc(C(=O)NCCc3nc4ccccc4s3)ccc2N1 78430886 HLJLKWIOTNQWOU-UHFFFAOYSA-N 353.403 2.600 0 50 FFAA OCCOc1ccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 72421242 SHBDBEPAFMDDER-JOCHJYFZSA-N 366.505 2.733 0 50 FFAA COc1ccc2c(c1)N(C(=O)c1ccnc(NC(=O)C3CC3)c1)C[C@@H](C)O2 286102942 NIGOCGGBFBTCJF-GFCCVEGCSA-N 367.405 2.866 0 50 FFAA Cc1ncsc1CCNc1nc(-c2ccco2)nc2c1CCNCC2 72432166 UMESRQZPJDNIKK-UHFFFAOYSA-N 355.467 2.844 0 50 FFAA CC(C)CN1CCn2nc(CNC(=O)Cc3c[nH]c4ccccc34)cc2C1 77504383 SMOOYITVLYWMTI-UHFFFAOYSA-N 365.481 2.695 0 50 FFAA CCN(C[C@H]1CCCO1)C(=O)c1cnn2c(C(F)(F)F)cc(C)nc12 71775842 IESJCLXPAXSKAM-LLVKDONJSA-N 356.348 2.698 0 50 FFAA CCNc1nc(C(=O)N2CCN(c3ccccc3OCC)CC2)cs1 176956238 LQORWZMSLWPMQT-UHFFFAOYSA-N 360.483 2.936 0 50 FFAA CC(C)(C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1)C1CCCC1 162213383 OIUUSHONSKAHJY-UHFFFAOYSA-N 369.469 2.749 0 50 FFAA CN1CC[C@H](N(C)CCC(=O)NCCc2ccc(Cl)cc2Cl)C1 426656934 KJAIALYEUBDUOQ-HNNXBMFYSA-N 358.313 2.678 0 50 FFAA CC(=O)c1cc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cs1 91625478 ZOHHEDSLCCRXTK-QZTJIDSGSA-N 350.528 2.867 0 50 FFAA O=C(O)c1cccc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 95353234 KGXADGWFFKHRMO-HNNXBMFYSA-N 363.421 2.804 0 50 FFAA CCN1CC[C@]2(CCC1=O)CN(C(=O)Nc1c(C)cccc1C)CCN2C 91793953 YBGMKJNVPKYUOR-OAQYLSRUSA-N 372.513 2.854 0 50 FFAA O=C(c1cnc[nH]c1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 91746958 HZBHTAGMEXXEHK-UHFFFAOYSA-N 359.429 2.992 0 50 FFAA CCN1CC2(CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)CC1=O 95525024 BLKRYPVADQITBV-UHFFFAOYSA-N 366.465 2.562 0 50 FFAA Cc1[nH]c(=O)c(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)c(C)c1Cl 97413382 GVZRATNYNJATPM-MRXNPFEDSA-N 373.884 2.864 0 50 FFAA Cc1cnc(CNC(=O)N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 426556051 UUSOSHBEVDTAPO-HNNXBMFYSA-N 364.453 2.826 0 50 FFAA CCn1nccc1C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95526688 ZXLKEORWSOLJDL-AWEZNQCLSA-N 370.482 2.624 0 50 FFAA COc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1 97729709 SEZAVPDTLZAFEJ-UHFFFAOYSA-N 352.478 2.989 0 50 FFAA CN(Cc1ccccc1NC(=O)NCCc1n[nH]c(N)n1)C1CCCCC1 96179643 JDNSCFUWFZTOPE-UHFFFAOYSA-N 371.489 2.516 0 50 FFAA CN(C)C(=O)N1CCC[C@H](c2ncnn2Cc2c(F)cccc2Cl)C1 91626343 SEWTYAWQLARMIJ-LBPRGKRZSA-N 365.840 2.980 0 50 FFAA CC1(C)CC(=O)N(CC(=O)N(C/C=C/c2ccccc2)C[C@@H]2CCCO2)C1 95521550 GAPMRWCZJTYCQI-IUYMFKLXSA-N 370.493 2.966 0 50 FFAA CC(C)N1CCC(CC(=O)N[C@H](C(=O)O)c2cccc(F)c2F)CC1 95506301 MQQRCONOEKHNEH-KRWDZBQOSA-N 354.397 2.717 0 50 FFAA CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccc(C)c1C 239274938 AYZQVILEIMQFPH-BUJXUYPKSA-N 364.445 2.667 0 50 FFAA O=C(Nc1cccc(-c2cscn2)c1)N1CCC2(CC1)C[C@@H](O)CO2 95530144 OIDLPOIQRZFTDZ-OAHLLOKOSA-N 359.451 2.958 0 50 FFAA O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1CCCN(c2cnccn2)C1 97436824 SEKNAJDFVQLOJL-CYBMUJFWSA-N 363.368 2.869 0 50 FFAA CCCc1nc(C(=O)NCCc2csc(-c3ncccn3)n2)cs1 92098819 DWBIXVRVPZSQNC-UHFFFAOYSA-N 359.480 2.982 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)N(C)Cc1noc(C2CCC2)n1 96162364 VIPIVZFUHGIPMH-UHFFFAOYSA-N 371.441 2.632 0 50 FFAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 182951724 KBTQJMZYDWZCLY-KBXCAEBGSA-N 373.478 2.778 0 50 FFAA Cc1cccc(CN(C)C(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1C 298373587 VEUKYSVSZRJITN-UHFFFAOYSA-N 365.433 2.627 0 50 FFAA CC[C@@H]1CCCC[C@H]1OCC(=O)N(C)c1ccc(N2CCOCC2)nc1 183943250 OKCJMJGIBZDXAB-SJLPKXTDSA-N 361.486 2.866 0 50 FFAA C[C@H](Cc1ccsc1)NC(=O)c1ccc(-c2cnn(CCO)c2)cc1 534634343 HFFANUWTZBUCHR-CQSZACIVSA-N 355.463 2.965 0 50 FFAA CNc1nccnc1-c1cccc(C(=O)N2CCC[C@H]2c2nc(C)no2)c1 534585976 UMNVWEOGAGDDPL-HNNXBMFYSA-N 364.409 2.854 0 50 FFAA COc1cc(NC(=O)CNCc2ccc(C(F)(F)F)nc2)cc(OC)c1 65452120 UHMHIQSRHQCGTK-UHFFFAOYSA-N 369.343 2.846 0 50 FFAA Cn1cnnc1SCC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 299781317 DODRQQFJFVRFEM-UHFFFAOYSA-N 366.874 2.631 0 50 FFAA CN(C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)o2)C1 299779718 PJYOLTKJNFZJOQ-KRWDZBQOSA-N 367.493 2.862 0 50 FFAA Cc1ccc([C@@H](NC(=O)C(C)(C)N2CCOCC2)c2ccncc2)cc1 299776753 LJJNHUSAFDNKAO-LJQANCHMSA-N 353.466 2.706 0 50 FFAA CC(C)C[C@H](NC(=O)Nc1cc(-c2cccnc2)nn1C)c1ncnn1C 299794098 KXDXIXDWIWQAQS-HNNXBMFYSA-N 368.445 2.520 0 50 FFAA CCCN1CCC2(CC1)CN(C(=O)c1cc(C)nc3onc(C)c13)CCO2 822921570 WBAAGYAEVNVKOI-UHFFFAOYSA-N 372.469 2.557 0 50 FFAA Cc1nn(C)c(C)c1CN(C(=O)NCCc1nc2c(s1)CCC2)C1CC1 584892731 XUGPGCINQRQQAY-UHFFFAOYSA-N 373.526 2.899 0 50 FFAA CCOC(=O)[C@@H](C[C@H]1CCOC1)NCC(=O)Nc1ccccc1C(C)C 1875281804 XYTWYBRLSDKDSY-CRAIPNDOSA-N 362.470 2.696 0 50 FFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 1875365000 UOFKDEOFNCBIEM-IBGZPJMESA-N 366.383 2.787 0 50 FFAA C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCc1nc2cccnc2[nH]1 1875306266 YVDCFUIIEXZBTO-MZHQLVBMSA-N 371.466 2.598 0 50 FFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[C@H]2C[C@H]12 1875407468 AOUOQHAFZXOFBB-LPQTXWNOSA-N 352.478 2.977 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)Nc2cccc(-n3cccn3)c2)c1C 952974533 DXEVRMUHKCZFNI-UHFFFAOYSA-N 351.410 2.917 0 50 FFAA CC1=C(C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)OCCO1 952989519 XIADDGGNBPMCMT-UHFFFAOYSA-N 371.355 2.794 0 50 FFAA C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(N2CCCS2(=O)=O)cc1 185834331 ZMLSUUSYUUDZHP-NSHDSACASA-N 367.858 2.699 0 50 FFAA Cc1cc(OCC(=O)N(CCC(=O)O)C2CCOCC2)ccc1Cl 408513353 WYCRUAFKDASZTD-UHFFFAOYSA-N 355.818 2.510 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)O)cc2)CCN1C[C@@H](O)c1ccccc1 736810388 OEXWLDDDODUBEW-OXQOHEQNSA-N 354.450 2.625 0 50 FFAA COc1cc(C)ccc1OCC(=O)NCc1nc(-c2cccc(F)c2)no1 225612570 HATAFDNZZZETBI-UHFFFAOYSA-N 371.368 2.888 0 50 FFAA O=C(O[C@@H]1CCOC[C@H]1OCc1ccccc1)[C@H]1CSCCS1 766996058 GGZCFRJUODIGCX-BZUAXINKSA-N 354.493 2.753 0 50 FFAA Cc1ccc(-c2ccc(C(=O)O)c(N(C)CCN3CCOCC3)n2)s1 1529168221 ZTUCBRMBNDHURQ-UHFFFAOYSA-N 361.467 2.585 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CCN(C)C)Cc1cnc[nH]1 1704311506 MJGQITMKOLSXJN-AWEZNQCLSA-N 364.877 2.729 0 50 FFAA O=C(N1C[C@H](Cc2cnccn2)[C@@H](O)C1)C1(c2ccc(Cl)cc2)CCC1 1616085563 YNUOOEKMGDMFNQ-KSSFIOAISA-N 371.868 2.614 0 50 FFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CC1CCN(Cc2ccccc2)CC1 1772712090 MOVFOOKKSMDYCP-FXAWDEMLSA-N 369.509 2.510 0 50 FFAA COc1ccc(CCN2CCC(CN(C)C(=O)c3cc(C)[nH]n3)CC2)cc1 12193835 YXKSYBFFGDZUIJ-UHFFFAOYSA-N 370.497 2.753 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 12454159 YNIYEDSPWJKKCX-FQEVSTJZSA-N 368.525 2.793 0 50 FFAA COc1ccccc1/C=C1/SC(=O)N(CN2C[C@H](C)O[C@@H](C)C2)C1=O 19867385 QVGULGUGGQZVHC-FJPKCYBQSA-N 362.451 2.798 0 50 FFAA Cn1cnc(C(=O)N[C@@H]2CC[C@H](NC(=O)CCCCc3ccccc3)C2)c1 1857694815 JLWUQBFYMJPTGH-ZWKOTPCHSA-N 368.481 2.600 0 50 FFAA Cc1cc(N2CCC3(CC2)CC(=O)N(Cc2ccccn2)CCO3)ccn1 1857696071 LHKIMAKLJVZZDK-UHFFFAOYSA-N 366.465 2.573 0 50 FFAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)CCc3ccncc3)CC2)O1 1857701583 WGKWULHQGJGEEL-QZTJIDSGSA-N 360.498 2.961 0 50 FFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2cc(F)cc(F)c2)C[C@H]1O 1875246321 LNMIYPSEIQQWCM-UYAOXDASSA-N 361.388 2.845 0 50 FFAA O=C(O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 262164993 UCVNNJCRUZGIPN-UHFFFAOYSA-N 371.764 2.844 0 50 FFAA COC(=O)c1cnc([C@@H]2CCCN(C(=O)CCCCCCN)C2)s1 852925387 FAIVWZXZVBRMAD-CYBMUJFWSA-N 353.488 2.545 0 50 FFAA O=S1(=O)N=C(NCCOCc2ccc(Cl)cc2)c2ccccc21 2836965 XISDZGGSTGKXAK-UHFFFAOYSA-N 350.827 2.595 0 50 FFAA O=C(O)[C@]1(CCCc2ccccc2)CN(Cc2cscn2)CC[C@@H]1O 2100540503 JWNFBPPQWUWDSR-PKOBYXMFSA-N 360.479 2.804 0 50 FFAA NS(=O)(=O)c1ccc(CSc2ccc3c(c2)OCCCO3)cc1 2325798497 ZYYFWYVNOONMMP-UHFFFAOYSA-N 351.449 2.788 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc3cccnc3nc2C2CC2)CC12CCC2 2325799698 QMNLEPHKNXUHEW-OAHLLOKOSA-N 351.406 2.834 0 50 FFAA O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCN(c2ccccc2)C1=O 2325822435 XIJCTSFYDHLWOF-SFHVURJKSA-N 363.417 2.805 0 50 FFAA C[C@@H]1C[C@@H]1CC(=O)N[C@@H]1CC[C@H](CNC(=O)Cc2cc(C3CC3)on2)C1 2325867827 GSXYTAXVSQQVRS-OCVGTWLNSA-N 359.470 2.542 0 50 FFAA C=CC(=O)N1CCC(C(=O)NCc2cc(C)ccc2Br)CC1 2325884279 ZBRYBCFOPXFCKM-UHFFFAOYSA-N 365.271 2.798 0 50 FFAA Cn1c(C(=O)N[C@@](C)(CC(=O)O)c2ccncc2)cc(Cl)c1Cl 911627031 VRBURTNQWDGYBZ-HNNXBMFYSA-N 356.209 2.847 0 50 FFAA COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 807884 FYHUDDAZYWCUFN-KRWDZBQOSA-N 362.393 2.609 0 50 FFAA Cc1ccc(C[C@H]2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)cc1 857120 OKHBOMYQMSPXLW-KRWDZBQOSA-N 351.402 2.884 0 50 FFAA COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1 877875 HNHUURGDFYKKBJ-UHFFFAOYSA-N 355.423 2.617 0 50 FFAA COc1cc(S(=O)(=O)NCc2cccs2)ccc1Br 1070749 PPTYQGJRFOIBJQ-UHFFFAOYSA-N 362.270 2.998 0 50 FFAA COc1ccc(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 1108771 BQSKLHBQCWLVDD-CQSZACIVSA-N 362.451 2.618 0 50 FFAA Cc1ncccc1CN1CCC[C@]12CCCN([C@H]1CC[C@H](O)CC1)C2=O 2356168671 AJOVOEFKNCGEDP-SFHLNBCPSA-N 357.498 2.651 0 50 FFAA O=C(c1ccccc1F)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4301359 GHZJXIXJVKBVGI-HNNXBMFYSA-N 365.401 2.794 0 50 FFAA CC1=C(C)C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)[C@H](C(=O)O)C1 6741884 RHAWVMBDVZUSKT-RTBURBONSA-N 374.456 2.917 0 50 FFAA Cc1cccc(N2C(=O)C[C@H](SCC(=O)Nc3ccccc3)C2=O)c1 100274226 VJMFXFXTZIXSNM-INIZCTEOSA-N 354.431 2.999 0 50 FFAA Cc1ncc2c(c1-c1noc(C3CC3)n1)CCN(C(=O)C1CCOCC1)C2 23580759 JVOGAYDRYUIWQJ-UHFFFAOYSA-N 368.437 2.629 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1cc(COc2cc(C)ccc2C)on1 67473087 OBMLCHFHIXKAAI-AWEZNQCLSA-N 369.425 2.973 0 50 FFAA C[C@H]1CCN(S(=O)(=O)C[C@H](C)COC2CCCC2)C[C@H]1n1ccnc1 328742141 JHEMULOJGGUMOJ-SOLBZPMBSA-N 369.531 2.691 0 50 FFAA CCc1cc(N2CCN(CC3=Cc4cccc(OC)c4OC3)CC2)ncn1 65381739 IDBXOOAFELDMRC-UHFFFAOYSA-N 366.465 2.646 0 50 FFAA Cc1ccc(CNC[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)cc1 12433043 JSDHOVAFQZSNON-OAQYLSRUSA-N 374.431 2.917 0 50 FFAA COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(CO)o4)N4CCC[C@@]34C2=O)c1 11816907 IZDVNVJUEGADQF-XQAUZQBESA-N 368.433 2.723 0 50 FFAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2coc(COc3ccccc3)n2)C1 67854822 QJCWUDNPXRAJAK-HNNXBMFYSA-N 371.437 2.630 0 50 FFAA Cc1cc(C)c(CN2CCN(C(C)C)[C@H](CCO)C2)c(-n2cccn2)c1 39394412 DJKGVKPTNDOBAM-LJQANCHMSA-N 356.514 2.766 0 50 FFAA C[C@@H](O)c1cn(C2CCN(CC(C)(C)CN3CCCCCC3)CC2)nn1 63848377 JFOJWEZGYIZTED-QGZVFWFLSA-N 363.550 2.871 0 50 FFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCc3ccccc3)C2)c1 5030517 LHIBFYBBJYFEBZ-IBGZPJMESA-N 354.406 2.556 0 50 FFAA biogenic CN1CCc2n[nH]c(C(=O)N(C)Cc3csc(-c4ccccc4)n3)c2C1 72408884 AEVFSMZCUUEZQJ-UHFFFAOYSA-N 367.478 2.793 0 50 FFAA C[C@@H](CC1CCCCC1)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 252496345 PHCAKMTVJDLKPK-HNNXBMFYSA-N 367.511 2.675 0 50 FFAA CCc1ccc(CN2C[C@H](C(=O)N3CCC4(CCCO4)CC3)CC2=O)cc1 71768091 TTYVPGFXCUGIKZ-LJQANCHMSA-N 370.493 2.769 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 216360821 WYUWAZXLYGGXLJ-HXUWFJFHSA-N 354.406 2.861 0 50 FFAA CN(Cc1cc(-c2cccs2)n[nH]1)S(=O)(=O)NCc1ccccc1 72161285 JACWLEUIDQFMAC-UHFFFAOYSA-N 362.480 2.605 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c(F)c1 77322245 HAPJIFAWYQLBAU-OAHLLOKOSA-N 368.474 2.690 0 50 FFAA CC(C)(O)CCc1ccc(CN2CCN([C@@H]3CN4CCC3CC4)CC2)cc1 72417884 LLNLUQAYFXVRPW-JOCHJYFZSA-N 371.569 2.602 0 50 FFAA CN(Cc1ccc2nsnc2c1)Cc1cnc(N2CCOCC2)s1 215341451 LRVQHFNMFKGOBB-UHFFFAOYSA-N 361.496 2.616 0 50 FFAA OC[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(N2CCCC2)nc1 132716111 VZNYVLVOZQTYQS-GOSISDBHSA-N 350.466 2.856 0 50 FFAA Cc1ccc(-n2cnc3c2CCN(C(=O)C(=O)Nc2ccccc2)C3)cc1 488129169 NFIYTRPINMFXJY-UHFFFAOYSA-N 360.417 2.704 0 50 FFAA COc1ccc(-c2nccn2CCNC(=O)c2ccc(F)cc2)cc1O 72472815 HIIBQORHAUPQFD-UHFFFAOYSA-N 355.369 2.833 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)CCn3cc(C)cn3)CC2)OC1=O 77522117 GMGYNCBVXMCMRW-INIZCTEOSA-N 362.474 2.584 0 50 FFAA O=C(CN1CCC(F)(F)[C@H](CO)C1)Nc1nc(-c2ccccc2)cs1 463233833 PJVWDKQLDUDOAT-ZDUSSCGKSA-N 367.421 2.698 0 50 FFAA CCN1CCN(Cc2ccc(C3CCCC3)s2)[C@H]2CS(=O)(=O)C[C@H]21 77436277 YLLPWQLLIDINPC-SJORKVTESA-N 368.568 2.709 0 50 FFAA CCCCc1cc(NC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)[nH]n1 175772333 LJVFTXQPGLGSGK-GOSISDBHSA-N 356.470 2.982 0 50 FFAA Cc1ccccc1-n1cc(CN2CCN(CC3CCN(C)CC3)CC2)cn1 215077588 HTBKNEGSCPSRGN-UHFFFAOYSA-N 367.541 2.640 0 50 FFAA CCn1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3ncnn32)cn1 20606685 KZZVLMNRYXJFAX-QGZVFWFLSA-N 364.409 2.527 0 50 FFAA Cc1cccc(-n2c(S)nc(=O)c3c(C(=O)O)cc(C4CC4)nc32)c1 20605719 SMIUYWNIZGOZRZ-UHFFFAOYSA-N 353.403 2.953 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)CCC3CCN(C)CC3)CC2=O)cc1 82137604 OADIAJVYJHEXTF-QGZVFWFLSA-N 357.498 2.681 0 50 FFAA CSc1ccc(CC(=O)N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 82127695 MMALIXBRTIEWFM-HNNXBMFYSA-N 357.479 2.749 0 50 FFAA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc2nc(-c3ccccc3)cn2c1 82087924 ZWYVVHKGAXDQQC-AWEZNQCLSA-N 350.422 2.598 0 50 FFAA O=C(NCCc1csc(-c2ccncc2)n1)c1cn2ccsc2n1 91434343 ALDJTKDATOFOGJ-UHFFFAOYSA-N 355.448 2.887 0 50 FFAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccccc2N2CCCC2)on1 95368926 RHXHSGYIEMOTSU-QAPCUYQASA-N 355.438 2.571 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1csc(-c2ncccn2)n1 95517399 VGAZGBWIEFEFME-ZDUSSCGKSA-N 370.482 2.840 0 50 FFAA Cc1cccc([C@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c1F 95503447 YCQXYFMYRAYYEK-LJQANCHMSA-N 357.429 2.863 0 50 FFAA Cc1cc(C(=O)N2CCC3(CC2)CC(=O)N(C[C@H]2CCCO2)C3)c(C)o1 95360525 MOGZSECRPLEFNG-MRXNPFEDSA-N 360.454 2.530 0 50 FFAA Cc1cc(C)n(CC2(CNC(=O)c3cnc(-c4cccnc4)nc3)CC2)n1 97551494 ZNWNNHKEZVPTFX-UHFFFAOYSA-N 362.437 2.562 0 50 FFAA Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)CCC(F)(F)F)C2 92077093 GXXFQBZYYCQVND-QWHCGFSZSA-N 373.375 2.583 0 50 FFAA C[C@@H]1Cc2cc(C(=O)N3CCC(CCN4CCCC4=O)CC3)ccc2O1 91781408 GJXWLGREJSEBBF-OAHLLOKOSA-N 356.466 2.875 0 50 FFAA C[C@@H](C(=O)NCc1ccc2cc[nH]c2c1)N(c1ccccc1)S(C)(=O)=O 244633610 GFXDTVOBTJRLOB-AWEZNQCLSA-N 371.462 2.639 0 50 FFAA Cc1cc(C(=O)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)no1 368520086 XFGODUDJVYMYDZ-UHFFFAOYSA-N 363.421 2.793 0 50 FFAA CC(C)Oc1cccc(-c2ccc(C(=O)N3CCOC[C@H]3CO)cc2)c1 299784886 PREZEENAPBNEHQ-LJQANCHMSA-N 355.434 2.974 0 50 FFAA CC(C)c1cc(NC(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)n(C)n1 299756411 HXEUWFCMHDRVPH-CYBMUJFWSA-N 359.430 2.563 0 50 FFAA C[C@H](NC(=O)c1ccc2c(=O)n(C)cnc2c1)c1nc2c(s1)CCCC2 299798899 PEFPSDRHBXLUJM-NSHDSACASA-N 368.462 2.760 0 50 FFAA Cc1ccc(CC2(NC(=O)NC[C@@H](O)CN3CCCCCC3)CC2)cc1 584894420 SJLRYWZNACKBAS-LJQANCHMSA-N 359.514 2.606 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCc2snnc2C(C)C)CC1 584885141 CWOGKEBEYQGFNC-UHFFFAOYSA-N 374.514 2.787 0 50 FFAA O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)N1CCCC1 670455404 NCWIKZIYAXYLOY-GOSISDBHSA-N 351.516 2.534 0 50 FFAA CC(C)(C)O[C@H]1C[C@H](CC(=O)N2CCc3c[nH]c(=N)nc3C2)C12CCC2 1875285024 ADIOQSMLJFJELJ-ZBFHGGJFSA-N 358.486 2.538 0 50 FFAA CNC(=O)[C@@]1(C)CCN(C(=O)N[C@H](C)c2ncc(-c3ccc(F)cc3)o2)C1 1875300831 RYUVDAUOMVVELC-BLVKFPJESA-N 374.416 2.709 0 50 FFAA O=S(=O)(NCCCC(F)(F)F)c1nnc(-c2ccccc2)s1 1875321730 STDFBBSZPPVDEA-UHFFFAOYSA-N 351.375 2.826 0 50 FFAA CN(C)[C@@H](CCC(=O)NCc1ccc2c(c1)C(=O)NC2)c1ccccc1 1875318027 AXWWHGYMRPTIFF-IBGZPJMESA-N 351.450 2.629 0 50 FFAA Cc1cnc(C(=O)NC[C@H]2CCCN(C/C=C/c3ccccc3)C2)cn1 952966244 DABZMNSYTARILK-NTPDMAOXSA-N 350.466 2.940 0 50 FFAA CCn1nc(CC(C)C)cc1C(=O)Nc1cccc(-n2nnnc2C)c1 952969236 MTDNUPCQRLYBHE-UHFFFAOYSA-N 353.430 2.638 0 50 FFAA CC[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 170620542 ZAKADYPXXYGCSN-CYBMUJFWSA-N 360.426 2.886 0 50 FFAA CC(C)(C)c1ccc(S(=O)(=O)CCN2CCCC[C@@]2(C)CO)cc1 170607311 WDNMCHCSBYJXDY-IBGZPJMESA-N 353.528 2.995 0 50 FFAA Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 279279165 WJIPDKCQYDOQNY-CQSZACIVSA-N 372.469 2.731 0 50 FFAA C[S@](=O)C1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 280497247 BOXJBYWDHMVAKT-IBGZPJMESA-N 356.296 2.573 0 50 FFAA COc1c(C)cnc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)c1C 172150609 MWFQUDQOZKZJKD-UHFFFAOYSA-N 366.347 2.800 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](NC[C@@H](O)c2ccccc2)C1 222043432 RFXNQOSKFKQADW-SQGPQFPESA-N 364.445 2.917 0 50 FFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CC[C@@H]2NCCC[C@@]2(CO)C1 213077703 QZLJYWAYUOAUQN-AVRDEDQJSA-N 369.509 2.599 0 50 FFAA COCc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](C(=O)O)C2)s1 216867898 INYVERAJESYTGF-CABCVRRESA-N 363.410 2.974 0 50 FFAA CCCc1nc(I)c(I)[nH]1 114155185 DWAZKKAGTFPSEI-UHFFFAOYSA-N 361.952 2.571 0 50 FFAA CCc1noc(C)c1C(=O)N1CCCN(CCc2cccc(C)n2)CC1 1772712669 YNPNSEJQFOULRM-UHFFFAOYSA-N 356.470 2.639 0 50 FFAA CCCOc1ccccc1-c1nnc(N2CCC[C@@]3(CC2)CNC(=O)O3)o1 1772712560 UPOPJQKUCACBGA-LJQANCHMSA-N 372.425 2.994 0 50 FFAA Cc1ccsc1C(=O)N1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 1772709266 DXVGWWADPCZFAU-UHFFFAOYSA-N 368.409 2.636 0 50 FFAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 5354866 VKZKOTVLMSTFDH-UKBAYJJMSA-N 368.385 2.647 0 50 FFAA CC[C@H]1CN(CCNC(=O)c2cccnc2C)Cc2cc(OC)ccc2O1 12079315 YZXHPIBFRPZNSZ-KRWDZBQOSA-N 369.465 2.802 0 50 FFAA CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccc(OC)nn3)c2O1 12167412 IJLGHXQSHGHOMJ-FZMZJTMJSA-N 359.401 2.757 0 50 FFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 12380487 KWFGAMLNKICILC-ZDUSSCGKSA-N 363.820 2.990 0 50 FFAA Cc1ccccc1-c1cn2c(C(=O)N3CCC(C(N)=O)CC3)csc2n1 12439464 PHWFRVHNCXYWKK-UHFFFAOYSA-N 368.462 2.709 0 50 FFAA C[C@H]1C[C@@H](C)CN(C(=O)CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 12883039 WFHMGQBIAFHKDQ-GASCZTMLSA-N 366.527 2.767 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)o1 15064639 CZRZFYOWDCPTEC-IBGZPJMESA-N 364.392 2.510 0 50 FFAA COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)n[nH]3)C2)cn1 169754258 GTECJIUUQLCTEJ-ZDUSSCGKSA-N 369.450 2.551 0 50 FFAA Cc1[nH]c(=N)nc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)c1C 1857698678 CUPHJUNRLXFTGO-QZTJIDSGSA-N 368.481 2.758 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc5ccn(C)c5c4)[C@@H]2CC(=O)N13 1857734247 GKILDTNJQZVULA-ZVDOUQERSA-N 353.466 2.736 0 50 FFAA C[C@H](C(=O)N1CCC[C@@H](N2CCCC2=O)CC1)n1cnc2ccccc21 334015922 YVEWROHVMYRPFZ-HZPDHXFCSA-N 354.454 2.601 0 50 FFAA O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 262514600 PORPSHXMPZULPH-QGZVFWFLSA-N 352.390 2.560 0 50 FFAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)Cn3ccc4ccccc43)C1)CC2 1704301225 PTEPSIULENSMTJ-OAQYLSRUSA-N 361.449 2.520 0 50 FFAA CN(C(=O)c1ccc(Cl)nn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 839336465 ZOYMFHNCGWRQMG-GFCCVEGCSA-N 368.865 2.992 0 50 FFAA CN(C)c1cc(C(=O)N2CCO[C@@H](c3ccccn3)C2)c2ccccc2n1 2100543370 QXFWEIROMAUHBA-LJQANCHMSA-N 362.433 2.910 0 50 FFAA c1ccc2[nH]c(CN3CCN(Cc4nc5cccnc5s4)CC3)nc2c1 2325722944 WNFNVBDSXLDGNB-UHFFFAOYSA-N 364.478 2.885 0 50 FFAA CCC[C@]1(C(=O)O)CCN(CCOc2cc(C)ccc2Cl)C[C@@H]1O 2356135098 PJIAEHKODNSZQJ-WMZOPIPTSA-N 355.862 2.965 0 50 FFAA CCC[C@@]1(C(=O)O)CN(Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)CC[C@H]1O 2356144416 WSNOWLSKHKPAJL-WIYYLYMNSA-N 372.465 2.583 0 50 FFAA CC(C)CC[C@@]1(C(=O)O)CN(C(=O)c2ccc3cc[nH]c3c2)CC[C@@H]1O 2356151587 OWHGNQSWXDFWEH-FXAWDEMLSA-N 358.438 2.882 0 50 FFAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)C1=O 2356168019 MHXZHBLSTWALLS-HXUWFJFHSA-N 373.428 2.551 0 50 FFAA COc1ccccc1OCCNC(=O)c1ccc(-n2cnnc2)cc1Cl 6702394 NKJKUJWTLGLZMY-UHFFFAOYSA-N 372.812 2.738 0 50 FFAA CCn1c(C)cc(C(=O)Cn2cnc3cc(C(=O)OC)ccc3c2=O)c1C 10821678 SAKWWPCBPFOWSK-UHFFFAOYSA-N 367.405 2.504 0 50 FFAA O=C1[C@H](N2CCN(c3ccccn3)CC2)CCCN1c1cccc(F)c1 115531026 SCDJAYIHZZAODL-GOSISDBHSA-N 354.429 2.538 0 50 FFAA COc1ncccc1NC(=O)c1cccc(CN2[C@H]3CC[C@@H]2C[C@H](O)C3)c1 102506866 RFMNPSKINKMSCJ-PIIMJCKOSA-N 367.449 2.830 0 50 FFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Cn2cncn2)c1 55060928 VNGOCRTXRDFFNN-GFCCVEGCSA-N 363.849 2.688 0 50 FFAA CC[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccncc1 175300595 LAUMWZKZUZTTDH-FQEVSTJZSA-N 368.481 2.939 0 50 FFAA O=C1C[C@H](C(=O)Nc2ccccc2CN2CCOCC2)c2ccccc2N1 55816655 SZXJGFZKNPGMDI-KRWDZBQOSA-N 365.433 2.583 0 50 FFAA COCc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)o1 23358738 NXFZAUNRMKLIDJ-IBGZPJMESA-N 358.482 2.803 0 50 FFAA COc1ccc(CN2CCN(Cc3cccc(C)n3)C[C@@H]2CCO)c(F)c1 23375544 MIQCXBWTEKZGBX-IBGZPJMESA-N 373.472 2.607 0 50 FFAA Cc1cc(C)n(-c2cc(NCCNC(=O)c3ccccc3Cl)ncn2)n1 67613833 GERIGXLTJMXJBU-UHFFFAOYSA-N 370.844 2.774 0 50 FFAA CC1=NO[C@@](C)(C(=O)NCc2cccnc2N(C)Cc2ccccc2)C1 67934049 HBAIXGHUPNZNKV-HXUWFJFHSA-N 352.438 2.889 0 50 FFAA C[C@@H]1CN(c2ccc(NC(=O)NC[C@H]3CCCO3)cc2F)C[C@@H](C)O1 229762794 RDOSKIVVWNIMCV-UMVBOHGHSA-N 351.422 2.740 0 50 FFAA Cc1ccc(NC(=O)c2ccc(CN(C)Cc3snnc3C)cc2)nn1 65507013 ZJPZSAGVYYLRAU-UHFFFAOYSA-N 368.466 2.829 0 50 FFAA CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3ccccn3)C2=O)cc1 67691161 VXBSTCWVMSCSGS-JOCHJYFZSA-N 367.493 2.848 0 50 FFAA Cn1ccn2ncc(C(=O)NCC[C@@H]3CCCCN3Cc3ccccc3)c12 214968418 WIDRARNDAWPGJK-SFHVURJKSA-N 365.481 2.847 0 50 FFAA Cc1nc(C)c(C(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)s1 328641444 XWNOUYZIMYGMSX-GOEBONIOSA-N 361.515 2.649 0 50 FFAA CC(=O)N1CCC(NCc2cccnc2N(C)Cc2ccccc2)CC1 12075697 GKARISULDNPCBU-UHFFFAOYSA-N 352.482 2.819 0 50 FFAA CCn1nc(CN2CCS(=O)(=O)c3ccccc3C2)c2ccccc21 330081915 AMENUQMKWVEVMP-UHFFFAOYSA-N 355.463 2.846 0 50 FFAA O=C(c1ccc(-n2cnnn2)cc1O)N1CCCC[C@@H]1c1ccc(F)cc1 77322351 XVLKEWBLCCQQEG-QGZVFWFLSA-N 367.384 2.874 0 50 FFAA Cn1ncc(Br)c1C(=O)Nc1c(F)c(F)cc(F)c1F 2767122 JHHHPNFVBMNTMI-UHFFFAOYSA-N 352.085 2.991 0 50 FFAA Cc1cc(C)c2c(CC(=O)NCCS(=O)(=O)CC(C)C)coc2c1 215902737 ONXINPNTZNBBLP-UHFFFAOYSA-N 351.468 2.779 0 50 FFAA COc1ccc([C@@H](NC(=O)CN2CCCCCC2=O)c2ccncc2)cc1 218935598 QCLXTPJQIVCXCD-OAQYLSRUSA-N 367.449 2.698 0 50 FFAA CC1CCC(N2C[C@H](c3nc(-c4n[nH]c(C5CC5)n4)no3)CC2=O)CC1 333239644 PTGNFAPOJFJVGC-YXMLORGKSA-N 356.430 2.627 0 50 FFAA Cn1nnc2c1C[C@@H](C(=O)N1CCCc3c1cccc3C(F)(F)F)CC2 333370099 IVKPGUPNRQPKBS-NSHDSACASA-N 364.371 2.918 0 50 FFAA CCn1c(C)ccc(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1=O 215099939 LNIFWUJQKJMKJJ-GOSISDBHSA-N 371.456 2.710 0 50 FFAA O=C(C[C@H]1CSCCS1)N1CCC(c2nncn2C2CC2)CC1 128090755 WJVNAHKSSMGZMY-AWEZNQCLSA-N 352.529 2.558 0 50 FFAA Cc1nn(CCO)cc1CN1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 215302851 DPVOVRHCGGFPKR-SFHVURJKSA-N 357.433 2.926 0 50 FFAA O=S(=O)(NCCCc1nc2ccccc2s1)NCc1ccccc1 72158973 ZJXZVPYCOYYSCV-UHFFFAOYSA-N 361.492 2.853 0 50 FFAA CC(=O)c1cn(CC(=O)NCC2CCC(C(=O)O)CC2)c2ccccc12 36353887 CHIPAZMYAJZORL-UHFFFAOYSA-N 356.422 2.851 0 50 FFAA Cc1ccc2nc(C)c(C(=O)n3c(N)nnc3N3CCCCC3)cc2c1 253427031 VIGXMCOFLJNDEG-UHFFFAOYSA-N 350.426 2.704 0 50 FFAA O=C(CCCn1sc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 36360282 XMGZXVZBSGWGSJ-UHFFFAOYSA-N 352.419 2.780 0 50 FFAA C[C@H](NC(=O)NCc1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2 363110106 FBQFCEQRMAVEKC-ZDUSSCGKSA-N 365.393 2.556 0 50 FFAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cccc(N2CCOCC2)c1 216285269 SLQSEGGQPFKQOA-UHFFFAOYSA-N 370.840 2.983 0 50 FFAA C[C@H](Oc1ccccc1CN1CCN(C2CCSCC2)CC1)C(=O)O 215837835 KWCRULDTMIHEGX-HNNXBMFYSA-N 364.511 2.552 0 50 FFAA CC(C)c1cc(NCc2csc(N3CCOCC3)n2)n2nccc2n1 72135480 PWEOFHVATPKUCW-UHFFFAOYSA-N 358.471 2.758 0 50 FFAA COc1c(C)cnc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c1C 72454732 FUKYUFLZYRMYBH-SFHVURJKSA-N 373.497 2.677 0 50 FFAA C[C@H]1C[C@H](NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCN1 262891031 ORCYHYMVQADGAT-MAUKXSAKSA-N 372.490 2.531 0 50 FFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 82097506 HCTRCFRLTHAESO-SFHVURJKSA-N 364.445 2.710 0 50 FFAA O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82127835 WREAAQWSVQZQSL-UHFFFAOYSA-N 372.787 2.844 0 50 FFAA O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC1(C(=O)O)CC1 263471132 RWQSIZHDVQDHQP-KRWDZBQOSA-N 366.417 2.529 0 50 FFAA CCc1oc2ccccc2c1CN1CC[C@@H](Nc2ncccn2)[C@H](O)C1 426521138 BWWUZYVGEUQAQF-IAGOWNOFSA-N 352.438 2.833 0 50 FFAA COc1cc(CN2CCN3CCC[C@H]3[C@@H]2C)cc(Br)c1O 19362292 ARODFCGKXNCSMI-FZMZJTMJSA-N 355.276 2.832 0 50 FFAA O=C(c1onc2c1CCCC2)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 426555686 UOSJHUODWHNOOD-DOTOQJQBSA-N 366.465 2.685 0 50 FFAA Cc1nc([C@H]2CCCN2C(=O)Cn2c(C(C)C)nc3ccccc32)n[nH]1 426439039 UJLGOCNCDFOAHW-MRXNPFEDSA-N 352.442 2.950 0 50 FFAA Cc1nc(C2CCN(Cc3cccc4c3OC(F)(F)O4)CC2)cc(=O)[nH]1 23399068 HVTTYNNGRIWGML-UHFFFAOYSA-N 363.364 2.779 0 50 FFAA O=C(NCc1ccc2c(c1)CCCC2)[C@H](c1cccnc1)N1CCOCC1 97785250 ILJYXGQHJKFGAT-NRFANRHFSA-N 365.477 2.650 0 50 FFAA NC(=O)Cn1ccnc1C1CCN(Cc2cccc(Cl)c2F)CC1 95530958 XDGIVHCAMSDSQA-UHFFFAOYSA-N 350.825 2.541 0 50 FFAA O=C(CCCc1cn[nH]c1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91707172 MWGHOAOYNKZZFP-NRFANRHFSA-N 372.513 2.906 0 50 FFAA Cc1nnc(SCCCNC(=O)c2ccc3c(c2)OCCO3)s1 96133777 SSKNXFSHPRXBLD-UHFFFAOYSA-N 351.453 2.530 0 50 FFAA Cc1ccc(-c2ncc(C(=O)NC[C@@H](c3ccco3)N(C)C)c(O)n2)cc1 91951097 HAHZZLJMZUKSOS-INIZCTEOSA-N 366.421 2.783 0 50 FFAA Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)C1(C(N)=O)CC1 91636684 JFIWUKFBYDUSFO-HNNXBMFYSA-N 366.465 2.576 0 50 FFAA COCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 95522744 YZOINDGUNMISMG-KRWDZBQOSA-N 356.470 2.615 0 50 FFAA CCOC(=O)[C@H]1[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1C(=O)OCC 242390137 AAFNHLREYMRPAL-XYYAHUGASA-N 373.327 2.632 0 50 FFAA O=C(CN1CCC[C@@H](c2cc(O)ncn2)C1)Nc1ccc(Cl)cc1F 244831523 UFKIYPKKWYUJRP-LLVKDONJSA-N 364.808 2.793 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cn2)C[C@H](C)O1 299292726 KAAZAJGPTMEPOZ-STQMWFEESA-N 351.410 2.824 0 50 FFAA Cc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2cccnc2)CC1 183929532 XOYCJDDKZKPDCU-UHFFFAOYSA-N 361.449 2.534 0 50 FFAA CCCn1cc(CN2CCN(Cc3ccccc3)[C@H](CCO)C2)c(C)n1 43131368 LRJGFMQCZMDNQA-OAQYLSRUSA-N 356.514 2.670 0 50 FFAA O=C(NCc1nc(Cc2ccccc2)no1)c1ccc(CN2CCCC2)o1 299769014 HWZZHDFIYUWFJB-UHFFFAOYSA-N 366.421 2.779 0 50 FFAA C[C@](O)(CCCO)CNC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 299758246 QGRCFEOPGHCQST-FQEVSTJZSA-N 368.437 2.671 0 50 FFAA COCC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2F)cc1 824313027 JORUPPVQXNVCRT-NSHDSACASA-N 364.348 2.956 0 50 FFAA O=C(N[C@H]1CCCN(Cc2cccc(O)c2)C1)c1onc2c1CCCC2 828925430 ULDWZRKCRGVKOH-HNNXBMFYSA-N 355.438 2.653 0 50 FFAA CC[C@H](NC(=O)N(Cc1ccccc1)Cc1cccc(C)n1)C(=O)N(C)C 584899900 WRUQHXFLWVYCJS-IBGZPJMESA-N 368.481 2.969 0 50 FFAA CCN(C[C@H]1CCCN1CC)C(=O)c1cn(-c2cccc(Cl)c2)nn1 952845716 JMPFAJXYGNFPPV-MRXNPFEDSA-N 361.877 2.867 0 50 FFAA CC1(C)CCc2onc(C(=O)N3C[C@@H](N)[C@H](c4ccccc4F)C3)c2C1 876923267 BVIFLFVJRLGYML-GOEBONIOSA-N 357.429 2.896 0 50 FFAA CC1CC(C(=O)N2CCC3(CC2)CCN(c2ccn4ccnc4n2)C3)C1 1875406172 YPQDJVDNYRQDHS-UHFFFAOYSA-N 353.470 2.594 0 50 FFAA COC[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886048319 CQUFCIYDWRXKMU-YESZJQIVSA-N 358.404 2.776 0 50 FFAA CCN(C(=O)NCCc1ccc(OC)cc1OC)[C@H]1CCCC[C@@H]1O 1565509581 RWAZRSRCALXFNC-IRXDYDNUSA-N 350.459 2.581 0 50 FFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccccc1N1CCOCC1 275711474 YILQNUWJIQKNOP-GHTZIAJQSA-N 370.497 2.607 0 50 FFAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](N(C)CC(=O)O)CC1 186662392 FTLXVGLDJSOSRL-YJBOKZPZSA-N 364.461 2.792 0 50 FFAA Cc1cccc2c1O[C@H](C(=O)NS(=O)(=O)c1ccc3c(c1)CCCC3)C2 408484613 MRCQGAKXHDSGLC-SFHVURJKSA-N 371.458 2.682 0 50 FFAA O=C(NS(=O)(=O)c1cccnc1)[C@@H](OC1CCCC1)c1ccccc1 170620477 CYODYCPAJYFMLZ-KRWDZBQOSA-N 360.435 2.587 0 50 FFAA COC(=O)C[C@](C)(NC(=O)Cc1csc(C(C)C)n1)c1ccncc1 170600783 UCSFQHHUPOTFQV-SFHVURJKSA-N 361.467 2.799 0 50 FFAA Brc1ccc2c(c1)C1(CCC1)CN2c1ccc2nnnn2n1 225492775 VCIIEPVNZARRGY-UHFFFAOYSA-N 357.215 2.855 0 50 FFAA O=S(=O)(C[C@@H]1CCCO1)Nc1cccc(OCc2cscn2)c1 171807508 ASVLPMVGXDSORR-HNNXBMFYSA-N 354.453 2.643 0 50 FFAA COc1ccccc1C1(C(=O)NC2CCN(c3nccs3)CC2)CC1 281401153 WFSRZDPDMFPTRJ-UHFFFAOYSA-N 357.479 2.969 0 50 FFAA COc1cc(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)c2ccccc2n1 172767714 ROIXJBOJLYHHST-IBGZPJMESA-N 355.438 2.555 0 50 FFAA CC[C@@]1(CO)CCCN1C(=O)NCC1CCN(Cc2ccccc2)CC1 190633846 DWCLGAXOYFAIPL-NRFANRHFSA-N 359.514 2.845 0 50 FFAA CC(=O)N[C@H]1CCCN(C(=O)CN2CC3(CCCC3)c3c(F)cccc32)C1 195004154 GPZNIENTBUJZRJ-INIZCTEOSA-N 373.472 2.585 0 50 FFAA C[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)n2)CC2(CCOCC2)O1 790521200 BEQVJMVVZUWDRN-NSHDSACASA-N 359.348 2.902 0 50 FFAA O=C(CC1CCN(Cc2ccccc2)CC1)N1CCNC(=O)C12CCCC2 1506422716 SLEBBNQGLAMKEK-UHFFFAOYSA-N 369.509 2.560 0 50 FFAA CCc1ccc(CN2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)nc1 1704302905 DDYQWSVQKYQUSM-NRFANRHFSA-N 351.498 2.980 0 50 FFAA O=C(CSc1ncc[nH]1)NC(=O)Nc1ccc(Br)cc1 1875260761 SAMVSFGXSREMLY-UHFFFAOYSA-N 355.217 2.613 0 50 FFAA COc1cc(C)c(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c(C)c1C 1704344944 QUUNHSHUFNUPNN-IEBWSBKVSA-N 367.511 2.936 0 50 FFAA O=C(Cc1ccc(O)c(F)c1)N1CCN([C@H]2CCc3ccccc3C2)CC1 1772701581 LKYBABLEQVFGIB-IBGZPJMESA-N 368.452 2.776 0 50 FFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H](C)CS3(=O)=O)c2)c(C)c1 12003723 PCESUPXFJIYZRZ-CQSZACIVSA-N 372.446 2.868 0 50 FFAA COc1ccc2ccccc2c1CNC(=O)c1cn(C[C@H]2CCCO2)nn1 12314157 MUZQJDTZXUAWOP-OAHLLOKOSA-N 366.421 2.549 0 50 FFAA Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 12404486 BQZRBBUTOVLBDN-UHFFFAOYSA-N 368.433 2.793 0 50 FFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C1Cc3ccccc3C1)C2 14749921 YHWBXCFGEGOZBW-UHFFFAOYSA-N 364.493 2.665 0 50 FFAA COCc1nc([C@@H]2COCCN2C(=O)CCC=Cc2ccccc2)no1 1857527330 LLZLXGVQWROTEY-INIZCTEOSA-N 357.410 2.610 0 50 FFAA Cc1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(C[C@H]2CCCO2)CC1 1857684929 KLGFYUOLCVPDRC-QGZVFWFLSA-N 356.514 2.844 0 50 FFAA O=C(NCCc1cc[nH]n1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857733303 DKPMDZKHRQRLHC-LBPRGKRZSA-N 373.844 2.780 0 50 FFAA Clc1cccc([C@H]2CN(c3nccc(N[C@H]4CCCOC4)n3)CCO2)c1 333211633 BQWUBAMKGOORCP-DLBZAZTESA-N 374.872 3.299 0 50 FFAA C[C@@H](OCC(F)(F)F)C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 237398612 CGRPTVROMWADMH-GFCCVEGCSA-N 359.344 2.599 0 50 FFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cc(O)nc2ccc(Br)cc12 237515928 SUTZBZCRJAXCJR-ONGXEEELSA-N 364.243 2.655 0 50 FFAA O=C1O[C@@H](CSc2nc3cc(Br)cnc3[nH]2)CC12CC2 762206822 PHTQKKSDKQPWAE-MRVPVSSYSA-N 354.229 2.908 0 50 FFAA O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCOC[C@@H]1c1ccccc1 363690799 RIXSLCZJAQRKOO-CQSZACIVSA-N 372.368 2.863 0 50 FFAA CC1(C(=O)O)CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 364172407 QKFYTJPUSOIBDW-UHFFFAOYSA-N 374.418 2.866 0 50 FFAA C=CC(=O)Nc1cc(NC(=O)C2C[C@@H]3CSC[C@H](C2)C3=O)ccc1F 900983520 KCRWYPYUQSLMLR-YOGCLGLASA-N 362.426 2.847 0 50 FFAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC1CC(OCc3ccccc3)C1)C2 903114494 BSVSFVKKRUXMGR-USCUULNTSA-N 358.526 2.804 0 50 FFAA Cc1cc(-n2ccnc2)ccc1C(=O)N1CCN[C@H](Cc2ccccc2)C1 2325857598 IBNJAYJWYGEPHI-LJQANCHMSA-N 360.461 2.837 0 50 FFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 669745 PQHIIPQMNSYZNV-UHFFFAOYSA-N 360.435 2.887 0 50 FFAA CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Br 1068123 BYKJNRBBHJHNTG-UHFFFAOYSA-N 359.245 2.898 0 50 FFAA NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 1074774 PEBBWJRLXCWKFY-UHFFFAOYSA-N 359.234 2.674 0 50 FFAA O=C1C(Cl)=C(N2CCCC2)C(=O)N1c1ccc(Br)cc1 1230757 DFHUSVKVMLHAMC-UHFFFAOYSA-N 355.619 2.869 0 50 FFAA Cc1ccc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)s1 2501048 BWJNLPAWAKXZJV-UHFFFAOYSA-N 371.462 2.664 0 50 FFAA CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(F)cc1 2812830 WYFXZNNKROIRMN-UHFFFAOYSA-N 354.447 2.598 0 50 FFAA COc1cccc(CC(=O)N2CCc3nc(-c4ccccc4)nn3CC2)c1 2356166024 UAEHUUISGOHYEV-UHFFFAOYSA-N 362.433 2.581 0 50 FFAA COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 4998859 PXFQCCSZIGCDLJ-INIZCTEOSA-N 370.449 2.820 0 50 FFAA CC1CCN(CC(=O)Nc2cccc(I)c2)CC1 7447190 KOCPAQYVPLFZHJ-UHFFFAOYSA-N 358.223 2.962 0 50 FFAA Cc1cccc(-c2noc(CN(C)C(=O)CCc3c(C)n[nH]c3C)n2)c1 55211499 NAZJHXMBNJOSNJ-UHFFFAOYSA-N 353.426 2.976 0 50 FFAA Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2nccs2)cc1C 10678492 HXDUFLNIVMGMJD-LLVKDONJSA-N 360.468 2.855 0 50 FFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)[C@@H](Cc1c[nH]cn1)n1cccc1)C2 67472798 IJSZYYBHVPEPQA-QGZVFWFLSA-N 364.453 2.625 0 50 FFAA CCc1csc(CNC(=O)c2ccc(N(C)C[C@H]3CCCO3)nc2)n1 20271679 DANQCIQMBZACPI-OAHLLOKOSA-N 360.483 2.646 0 50 FFAA C[C@@H]1Cc2cc(CNC(=O)CCNC(=O)c3ccc(F)cc3)ccc2O1 65372438 VHZFUKLQXIPHKV-CYBMUJFWSA-N 356.397 2.585 0 50 FFAA C[C@@H](C(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3)n1cnnn1 67946911 PXIUUQIRAQQPSS-ZDUSSCGKSA-N 352.442 2.691 0 50 FFAA OCC1CCN([C@H]2CCCN(C3CCN(c4ccccc4)CC3)C2)CC1 20202643 BALSVCDMJCZULH-QFIPXVFZSA-N 357.542 2.824 0 50 FFAA Cc1nc(CCC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)n[nH]1 65407004 FCISRQGQNJQCCE-HXUWFJFHSA-N 352.438 2.903 0 50 FFAA FC(F)c1nc2ccccc2n1-c1nc(Cl)nc(N2CCOCC2)n1 21299393 AJQZNMCGFMDKGJ-UHFFFAOYSA-N 366.759 2.638 0 50 FFAA C[C@@H](Cn1cnc2ccccc2c1=O)NCc1n[nH]c2c1CCCCC2 67643507 YECXXQYQXJLEMW-AWEZNQCLSA-N 351.454 2.567 0 50 FFAA CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(Br)nc2)C1 173409782 YPQJWXVCVUCUCV-NSHDSACASA-N 370.247 2.583 0 50 FFAA O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCn2ccnc2C1 332897045 VGVNWOZUUXKNPX-YOEHRIQHSA-N 353.470 2.951 0 50 FFAA COc1ccccc1CN(Cc1ccncc1)C(=O)[C@H](C)N1CCCC1=O 215355704 JLJOCIOYGWLVKI-INIZCTEOSA-N 367.449 2.630 0 50 FFAA CCC(CC)CN1CC2(CCN(C(=O)[C@H]3CCCN(C)C3)CC2)OC1=O 77408143 VKKIDTPQLSZOJM-KRWDZBQOSA-N 365.518 2.578 0 50 FFAA COCCN1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C 252516605 VAVVTFSAIJFJLS-QZTJIDSGSA-N 369.550 2.676 0 50 FFAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 72134435 ASQFRGWHZNISAL-MRXNPFEDSA-N 368.547 2.502 0 50 FFAA CNC(=O)c1cccnc1N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77341783 MMXOFDLQSGWADN-OAQYLSRUSA-N 372.513 2.696 0 50 FFAA COc1ccc(C(=O)N2CC(Oc3ccc(F)cc3)C2)c(OC)c1OC 216171163 HTLCIPZDUHWOBD-UHFFFAOYSA-N 361.369 2.755 0 50 FFAA CCS[C@@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 71752776 CZFPXXZPUVUABR-ZDUSSCGKSA-N 371.510 2.631 0 50 FFAA COc1ccc([C@H](C)NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1F 363129225 DBWSXMNRIPRLTH-UONOGXRCSA-N 360.433 2.903 0 50 FFAA CCc1nccn1CCC(=O)N1CCN(c2ccccc2OC)C[C@@H]1C 72407213 JCNPTPZPTOVVEX-INIZCTEOSA-N 356.470 2.582 0 50 FFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)cc2O)cc1 77437481 REQHATYZVGNVNC-KRWDZBQOSA-N 355.438 2.510 0 50 FFAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 263113038 GGJMXNAAOWZMSO-UHFFFAOYSA-N 359.451 2.917 0 50 FFAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)CCNC(N)=O)cc12 71746586 NVRYLSJDZHFACJ-UHFFFAOYSA-N 368.412 2.957 0 50 FFAA Cc1nscc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1 262739140 GFKGGKRZKDEOSP-HNNXBMFYSA-N 373.434 2.783 0 50 FFAA CN(Cc1ccccc1N1CCCC1)C(=O)N[C@H]1CCc2nc[nH]c2C1 378079785 NIMYNBAUUIWKEL-INIZCTEOSA-N 353.470 2.709 0 50 FFAA CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 223194158 ZNUNUVUECFNHDO-HUUCEWRRSA-N 364.492 2.969 0 50 FFAA O=C(c1cc(F)c(F)cc1Cl)N1CCn2nc([C@@H](O)C3CC3)cc2C1 222703066 NAALRXBRHCTIBU-INIZCTEOSA-N 367.783 2.914 0 50 FFAA CCc1nc2ccccc2n1CCC(=O)N1CCCC[C@@H]1CCNC(C)=O 85533113 LNLOKZOHDXLDHT-QGZVFWFLSA-N 370.497 2.896 0 50 FFAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2Cl)o1 44720808 XZTVENXGDRALML-NSHDSACASA-N 353.827 2.765 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1CCCN(c2ccccn2)C1 223765136 SQZOQEXBOMNGBK-MRXNPFEDSA-N 363.465 2.923 0 50 FFAA Cc1cccc(-c2noc(CCC(=O)N3CCC[C@@H](c4ncon4)C3)n2)c1 426501742 HVUQEYKFAOFEOJ-OAHLLOKOSA-N 367.409 2.767 0 50 FFAA C[C@H](CCC(=O)N1CCC(OCc2ccccc2)CC1)N1CCOCC1 82098875 UPJSKRSVYKJKMO-GOSISDBHSA-N 360.498 2.695 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 426658493 QFLGCEIHVPTZGE-GOSISDBHSA-N 364.921 2.652 0 50 FFAA Cn1c(CNC(=O)N2CCCC[C@@H]2CO)nc2cc(C(F)(F)F)ccc21 426693829 RRHNREQLNLICPJ-GFCCVEGCSA-N 370.375 2.649 0 50 FFAA CSc1ccc(CC(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)cc1 82087780 DQLPRJNXFAMGTM-UHFFFAOYSA-N 357.479 2.749 0 50 FFAA Cc1nc([C@@H]2CCCN2C(=O)Cn2c(C3CC3)nc3ccccc32)n[nH]1 426477405 OBTDHTGCDGSSLQ-INIZCTEOSA-N 350.426 2.704 0 50 FFAA Cc1ncc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)c(C)n1 180559373 CDOPRMMAFDBSQZ-UHFFFAOYSA-N 357.801 2.769 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)[C@@H](c1cccnc1)N1CCCC1 95391694 VXHPTDUBSVJVCG-GOSISDBHSA-N 356.495 2.523 0 50 FFAA O=C(Cc1ccccn1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 91459377 GAOGWXKBPFTKNX-QGZVFWFLSA-N 361.449 2.670 0 50 FFAA COc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239121314 JSIHZHKCOSRVTO-AUWAKTMTSA-N 366.211 2.594 0 50 FFAA Cc1noc(C)c1[C@@H](C(=O)O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 95530158 RGMGNIKWLKXMOF-KRWDZBQOSA-N 358.373 2.874 0 50 FFAA COc1cc(CN2CCN3CCC[C@@H]3[C@@H]2C)cc(Br)c1O 22035429 ARODFCGKXNCSMI-SMDDNHRTSA-N 355.276 2.832 0 50 FFAA CC(C)Cc1noc([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)n1 96151147 VASANJFKRXVMRD-ZDUSSCGKSA-N 356.426 2.886 0 50 FFAA Cc1cc(N2CCC(NCc3nc[nH]c3C)CC2)nc(N2CCCCC2)n1 95527122 WMEBKGRMHPYZMV-UHFFFAOYSA-N 369.517 2.565 0 50 FFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 97631972 SMSFGIUDFMKNQV-GFCCVEGCSA-N 369.874 2.647 0 50 FFAA COCCCN1CC2(CCC1=O)CCN(CCOc1ccccc1)CC2 91707340 YUYSXMNQHSTGMD-UHFFFAOYSA-N 360.498 2.807 0 50 FFAA CCNC(=O)c1ccnc(N2CCCN(CCCc3ccccc3)CC2)c1 95523338 GHQBRIWFTQASIY-UHFFFAOYSA-N 366.509 2.976 0 50 FFAA Cc1ccc(O)c(C(=O)N2CCC(c3nccn3CCCN(C)C)CC2)c1 95516603 XBKMOVHJELCXQE-UHFFFAOYSA-N 370.497 2.869 0 50 FFAA COc1ccc([C@H]2CN(C(=O)C3(c4ccc(F)cc4)CC3)C[C@@H]2N)cc1 91747010 GPGLSPFXGWRTMM-MOPGFXCFSA-N 354.425 2.819 0 50 FFAA C[C@H](O)[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 184756762 FUIRSEORAMWLNQ-HOCLYGCPSA-N 365.905 2.717 0 50 FFAA CCCC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 252670321 KEVDIQTWIOVOHF-BZSNNMDCSA-N 374.529 2.719 0 50 FFAA CCS(=O)(=O)[C@@H](C)C(=O)N1CCC(Oc2cccc(Cl)c2)CC1 299762587 NZORMCYDXZKLNJ-LBPRGKRZSA-N 359.875 2.533 0 50 FFAA Cc1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2ccco2)n1 299764854 NNKKIUHGIPOJGW-UHFFFAOYSA-N 374.404 2.598 0 50 FFAA Cc1nn(CC(=O)N[C@@H](C)c2nncn2C2CCCC2)c(C)c1Cl 299757062 LUQDQLUGOMZKJD-NSHDSACASA-N 350.854 2.737 0 50 FFAA CCOC1CC2(CCN(Cc3ccccc3N3CCN(C(C)=O)CC3)C2)C1 952963388 IGBIRUWJMLRJBX-UHFFFAOYSA-N 371.525 2.746 0 50 FFAA Cc1nnc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)o1 1875282137 ONGMJHYETFOMOY-UHFFFAOYSA-N 368.359 2.791 0 50 FFAA CN(C)C(=O)Cc1ccccc1NC(=O)Nc1c[nH]nc1-c1nccs1 1875265254 XNWQHWAXWSJYRQ-UHFFFAOYSA-N 370.438 2.808 0 50 FFAA COC(=O)[C@@H]1[C@@H]2CCCC[C@H]2[C@H]1NC(=O)c1ccc2nc(C)n(C)c2c1 1875344677 IRLZZTFSCNKWED-DTTOXWODSA-N 355.438 2.589 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)CCc2ccc(F)cc2)C1 886048169 GCKXSUBXCRDAID-PKOBYXMFSA-N 358.413 2.848 0 50 FFAA CC(C)c1nc(CN(C)C(=O)[C@H]2CC(=O)N(c3nccs3)C2)cs1 1177329274 GAFDDASRCLEORY-NSHDSACASA-N 364.496 2.735 0 50 FFAA O=C1O[C@H]2CN(Cc3ccccn3)C[C@H]2N1CCCc1ccc(F)cc1 1565525347 JEGZMSVTXCFHQM-MOPGFXCFSA-N 355.413 2.859 0 50 FFAA COc1ccc(N2CCN(Cc3ncc(C)c(OC)c3C)[C@H](C)C2=O)cc1 77303722 GFQKBVMSOFXEDN-MRXNPFEDSA-N 369.465 2.953 0 50 FFAA O=C(Nc1ccc2c(c1)OCO2)C(=O)N1CCC(c2ccccc2)CC1 170649544 OTLJEASYOOTFFJ-UHFFFAOYSA-N 352.390 2.760 0 50 FFAA O=C(NC1CCC(Oc2ncccc2Cl)CC1)N1CCC[C@H](O)C1 187493749 RBFGFUHSYWSGAO-MOKVOYLWSA-N 353.850 2.591 0 50 FFAA Cc1cccc(-n2cc(C(=O)N3CCOC[C@@H]3c3nc(C)cs3)nn2)c1 188642084 NVAAUAUCTHQKTP-MRXNPFEDSA-N 369.450 2.554 0 50 FFAA Cc1ccc2c(n1)OCCN2C(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 189129467 XRQQGRFNGDTPHU-OAQYLSRUSA-N 365.433 2.810 0 50 FFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCC34CCN(C)CC4)c2)n1 742183395 GFDQWOWSEMZYLZ-UHFFFAOYSA-N 352.482 2.859 0 50 FFAA CCN(C[C@@H]1CCN(c2cc(N3CCCC3)ncn2)C1)CC(F)(F)F 192327251 SCKJYHWLIZLYDB-AWEZNQCLSA-N 357.424 2.787 0 50 FFAA O=Cc1cn(COCc2ccccc2)c(=O)n1COCc1ccccc1 198780031 RSZJXJSELROYTE-UHFFFAOYSA-N 352.390 2.811 0 50 FFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1cnn(C)c1 1506397379 SQXUBXAFWIKRNE-NSHDSACASA-N 357.863 2.820 0 50 FFAA COc1cccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1OC 1529155604 VUEWOYWFIUDJJS-WOJBJXKFSA-N 368.477 2.962 0 50 FFAA Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772805040 GVRZJPCPNCEBLL-CQSZACIVSA-N 367.478 2.966 0 50 FFAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775982388 UGROGBSDOJIABZ-PRDGMFJFSA-N 369.509 2.938 0 50 FFAA Cc1nccnc1N1CCCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 1772812826 PQUAIFNYQUNKIW-SFHVURJKSA-N 350.466 2.944 0 50 FFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1cccs1)C2 11910900 CINNNNZLSYLBCC-VIFPVBQESA-N 363.464 2.615 0 50 FFAA CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@@H]2CCCO2)CC1 12442598 FDCWNTQPDZJCCD-IBGZPJMESA-N 358.482 2.843 0 50 FFAA COc1c(F)ccc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1F 1857735165 KUVKSLGTOXUIFO-XWESNNAXSA-N 352.425 2.514 0 50 FFAA Nc1nccc([C@@H]2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)C2)n1 329110894 QQMNWYQMIWOCAG-OAHLLOKOSA-N 367.453 2.795 0 50 FFAA C[C@@H]1C[C@H](CO)CN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1 331968951 RLYPZUGIDVROPM-MNOVXSKESA-N 369.252 2.665 0 50 FFAA CNC(=O)COc1cccc(OCc2ccn(-c3ccc(F)cc3F)n2)c1 240333249 FCLHSSZLSQAREE-UHFFFAOYSA-N 373.359 2.854 0 50 FFAA COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)s1 242292518 YMXCJLVTHREDBI-LBPRGKRZSA-N 368.480 2.686 0 50 FFAA O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCOC[C@H]1c1ccccc1 363690792 RIXSLCZJAQRKOO-AWEZNQCLSA-N 372.368 2.863 0 50 FFAA CC(C)c1ccc(CN(C(=O)c2coc(S(N)(=O)=O)c2)C2CC2)cc1 153528952 CXSDALROFPBOGD-UHFFFAOYSA-N 362.451 2.855 0 50 FFAA NC(=O)Nc1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 369206373 MZSJFONLJWZBOJ-MRXNPFEDSA-N 358.829 2.617 0 50 FFAA COc1cccc(CC(=O)N2CCc3ccc(NC(=O)C[C@H](C)N)cc32)c1 261840295 PMNPLMHZLAOVJB-AWEZNQCLSA-N 367.449 2.503 0 50 FFAA C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCC[C@@H]1c1nn[nH]n1 900393912 RVJIYPFCHOWRNT-GDBMZVCRSA-N 350.426 2.782 0 50 FFAA COc1cc(C(=O)Nc2ccc(-c3nncn3C)cc2)cc(OC)c1OC 12428214 IDHHMIPSNDWQQX-UHFFFAOYSA-N 368.393 2.760 0 50 FFAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100556150 FIYMGZZZDXFXGI-FVNRHKFKSA-N 360.473 2.975 0 50 FFAA CO[C@H](C(=O)O)C1CN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 2325791846 CCOWDCFBBGVVCI-HNNXBMFYSA-N 369.343 2.627 0 50 FFAA COc1ccc(-c2nc([C@@H]3C[C@H]3C)n(-c3ccnc4c3cnn4C)n2)nc1 2325865951 VNDQECPTUDRAKW-DGCLKSJQSA-N 361.409 2.743 0 50 FFAA COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 910925 DYVGIAICMPGKHL-UHFFFAOYSA-N 372.421 2.801 0 50 FFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2ccc3ccn(C)c3n2)C1=O 2356138910 SAONMFXHXMUAPE-FQEVSTJZSA-N 354.454 2.579 0 50 FFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(C(=O)c2ccc3ccccc3n2)C1 2356159449 AWPGHVWHWAFNSD-NRFANRHFSA-N 359.433 2.558 0 50 FFAA O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccn2)CC1 4180223 WBYSBLWOYOWNTM-UHFFFAOYSA-N 360.255 2.735 0 50 FFAA O=C(COc1ccccc1)Nc1ccc(I)cn1 4842822 RCMUDMGMAFPNCY-UHFFFAOYSA-N 354.147 2.704 0 50 FFAA CC1=C(C)C[C@H](C(=O)N2CCN(CCc3ccccc3)CC2)[C@@H](C(=O)O)C1 6731455 YVSBYFWGAAAUSZ-PMACEKPBSA-N 370.493 2.821 0 50 FFAA C[C@H](NC(=O)c1ccc2ccccc2n1)C1(N2CCOCC2)CCCC1 173181326 ONZSKDUCFVTXBX-INIZCTEOSA-N 353.466 2.998 0 50 FFAA COc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9576870 QDRSXLXEPRUVBB-UHFFFAOYSA-N 359.385 2.809 0 50 FFAA O=C(NCc1cccnc1-n1cnc2ccccc21)c1cc(C2CC2)n[nH]1 67690394 IDTJUBCBWPYCQX-UHFFFAOYSA-N 358.405 2.951 0 50 FFAA CCN(Cc1noc(C)n1)[C@H]1CCCN(C(=O)c2csnc2C)CC1 328626822 FLNUDDNNPTWUCV-AWEZNQCLSA-N 363.487 2.660 0 50 FFAA CC(=O)c1csc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 124299087 QGWIAAKMJPNTLO-ZDUSSCGKSA-N 366.487 2.752 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 329959206 QLXHCQUHCLPIAN-FOIQADDNSA-N 368.433 2.988 0 50 FFAA CCc1nnc(NC(=O)CN2CCN(c3ccc(C)cc3)[C@H](C)C2)s1 34066602 FEFLERLYXDGFHB-CQSZACIVSA-N 359.499 2.558 0 50 FFAA Cn1nc(C2CC2)c2[nH]c(-c3ccc(OCC(=O)N4CCCC4)cc3)nc21 39500376 YYGHEADYGMXHDQ-UHFFFAOYSA-N 365.437 2.842 0 50 FFAA Cc1nonc1[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc2c(c1)OCO2 12316900 UTCNUCRRHQJNFB-AWEZNQCLSA-N 353.382 2.834 0 50 FFAA COC(=O)c1c(NC(=S)N(C)Cc2cnn(C)c2)sc(C)c1C 8300303 ZOFGAQLVOCSHIO-UHFFFAOYSA-N 352.485 2.714 0 50 FFAA COc1nc(C)c(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)s1 77343983 WHSUESLXCIFMMW-MRXNPFEDSA-N 360.479 2.916 0 50 FFAA CSc1ccccc1C(=O)NC[C@H](c1ccncc1)N1CCOCC1 216085461 CHEYWAYMMLLVKV-QGZVFWFLSA-N 357.479 2.607 0 50 FFAA CCN1C[C@]2(CCCN(Cc3cc(=O)c4ccccc4[nH]3)C2)CCC1=O 72425918 SBUBIZAKWBNNDY-OAQYLSRUSA-N 353.466 2.753 0 50 FFAA Cc1cc(=O)[nH]c(CCNc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72447194 GJCKCSONERFVDA-UHFFFAOYSA-N 360.421 2.751 0 50 FFAA Cc1ccc(CN2CC3(CCN(C(=O)C4CC4)CC3)C[C@@H]2C(=O)O)cc1C 72472979 JSIZHZAUHMUKPS-LJQANCHMSA-N 370.493 2.981 0 50 FFAA CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1 253417989 WERHPEHNQJGESM-UHFFFAOYSA-N 355.391 2.650 0 50 FFAA Cc1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nn1 72425886 MKQHAJDUENLLPQ-HXUWFJFHSA-N 351.454 2.589 0 50 FFAA O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 13325017 ZGPFSCDDYVSVJH-UHFFFAOYSA-N 369.421 2.934 0 50 FFAA Cc1cnc2c(C)cccc2c1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 368496134 YZHLGFODUVCJSY-FQEVSTJZSA-N 352.438 2.666 0 50 FFAA Cc1nonc1[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 77454360 XYFNWCHCHLHGEU-CQSZACIVSA-N 353.382 2.724 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2=O)c1 72431287 ZXJXQEOSZMQRJL-UHFFFAOYSA-N 366.343 2.534 0 50 FFAA O=C(NCC1(N2CCOCC2)CCCC1)c1ccc([C@H]2CCCNC2)cc1 215831041 MUAXTNYKWWVSAC-FQEVSTJZSA-N 371.525 2.528 0 50 FFAA COc1cc2c(cc1CN(Cc1ccncc1)C1CCN(C)CC1)OCO2 72168276 GNJYEZLNMKWYBL-UHFFFAOYSA-N 369.465 2.915 0 50 FFAA Cc1ncsc1CCC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72174020 QATBEPHPHNKMAV-SFHVURJKSA-N 356.491 2.862 0 50 FFAA O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCCN1C(=O)Cc1ccccc1 159320453 PTUOMLLRUZXORV-MOPGFXCFSA-N 370.493 2.828 0 50 FFAA CCCc1cc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n(C)n1 82172020 XGWVDIDMABIDEK-ZDUSSCGKSA-N 374.872 2.904 0 50 FFAA CO[C@H](C)c1noc(CN2CCC(NC(=O)Nc3ccccc3)CC2)n1 177660950 YCQICJLXEHQLCO-CYBMUJFWSA-N 359.430 2.563 0 50 FFAA CCc1nccn1CCC(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 82136779 ATIQUDKSGNQQID-OAHLLOKOSA-N 366.425 2.644 0 50 FFAA Cc1csc(SCC(=O)NCc2csc(-c3cnccn3)n2)n1 223283870 VMYLQHNZYANJQA-UHFFFAOYSA-N 363.493 2.774 0 50 FFAA Cc1c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c2cc(O)ccc2n1C 222756048 PSWWJESRMAHAKV-ROUUACIJSA-N 372.465 2.754 0 50 FFAA COCc1cc(CNC(=O)N(Cc2ccccn2)C2CCCCC2)[nH]n1 426640374 HRTBZSOXZGUXOP-UHFFFAOYSA-N 357.458 2.996 0 50 FFAA Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N(C)[C@@H]1CCCc2ccccc21 180405056 ZWBSFEBEHWHPPZ-QGZVFWFLSA-N 356.470 2.644 0 50 FFAA C[C@@H]1CN(C(=O)C2CCN(c3cnccn3)CC2)Cc2ccccc2O1 294309829 RTDFDFSGBNPQGQ-OAHLLOKOSA-N 352.438 2.503 0 50 FFAA CC(C)c1nc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)cs1 91603586 APNTXTGFZUXHPC-UHFFFAOYSA-N 356.451 2.635 0 50 FFAA Cc1ccccc1OCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91603634 IATHUFAMTZYOGV-NRFANRHFSA-N 356.466 2.625 0 50 FFAA O=C(c1cccnc1)N1CCC(NC[C@@H]2COc3ccccc3C2)CC1 91876812 POJCIRZALXMKSF-MRXNPFEDSA-N 351.450 2.527 0 50 FFAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1 95529093 DBRPOHBAHMFNCV-CQSZACIVSA-N 351.414 2.915 0 50 FFAA COCCN1CCC[C@]2(CCN(c3ncc(Cl)cc3Cl)C2)C1=O 95383736 RPHXZJHPPCCUKV-MRXNPFEDSA-N 358.269 2.854 0 50 FFAA Cc1n[nH]c([C@H]2CCCN2C(=O)Nc2cc(-c3ccccc3)nn2C)n1 95510833 JZKLWLQYOLXDTP-OAHLLOKOSA-N 351.414 2.883 0 50 FFAA c1cc(CN2CC[C@H]3CC[C@@H](C2)N3)cc(OCCCCN2CCOCC2)c1 97602154 ZKDICLQVJFHKBR-RTWAWAEBSA-N 373.541 2.504 0 50 FFAA COc1ccc2oc(CNC(=O)[C@@H](c3ccccc3F)N(C)C)nc2c1 91269603 WCVVPHZUFFKTLX-GOSISDBHSA-N 357.385 2.895 0 50 FFAA Cc1cc2c(N3CCC(N(C)CCc4cnn(C)c4)CC3)ncnc2s1 95505879 JXOKKPYJJFHYTE-UHFFFAOYSA-N 370.526 2.877 0 50 FFAA CCn1nc(C)c(CN(CCOC)C(=O)c2cn3c(C)cccc3n2)c1C 97601140 LMYBYTJQDVVECN-UHFFFAOYSA-N 369.469 2.765 0 50 FFAA O=C(CCc1nnc(C2CCCC2)o1)N1CC[C@@H](OCc2ccncc2)C1 268482691 JWXVFAWXGZLSDK-QGZVFWFLSA-N 370.453 2.873 0 50 FFAA CC(C)N1CCC[C@@]2(CCN(C(=O)Cn3ccc4ccccc43)C2)C1=O 91350528 YFWDFAZNBAUDEA-NRFANRHFSA-N 353.466 2.891 0 50 FFAA COc1ccc([C@H](NC(=O)c2ccc(C)c(F)c2F)[C@H]2C[C@@H](O)C2)cn1 244734284 NCRYPLBELKRTOQ-JCGVRSQUSA-N 362.376 2.919 0 50 FFAA Cc1nnc(CNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)s1 252488433 IRTFNFVMFZXCPA-GOSISDBHSA-N 361.467 2.877 0 50 FFAA O=C(N[C@H]1C[C@H](c2cc(O)ncn2)C1)c1csc(Cc2ccccc2)n1 253535585 GWIKHYZJIZRMBJ-HDJSIYSDSA-N 366.446 2.906 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1cccc(-c2nccnc2N(C)C)c1 534637123 LJWKTLHUASZQJO-AWEZNQCLSA-N 362.437 2.833 0 50 FFAA O=C1C[C@@H](NCc2ccc3nonc3c2)CN1CCCc1ccccc1 55212118 SSKAWOAMCNUHSL-QGZVFWFLSA-N 350.422 2.546 0 50 FFAA CCOC(=O)N1CCN(C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CC1 299786553 VAFUKEOLZOWCRT-OAHLLOKOSA-N 361.446 2.545 0 50 FFAA Cc1cc2c(NCc3cc4n(n3)CCN(C(=O)C(C)C)C4)ncnc2s1 299799148 XNQSIRDHNUTFMS-UHFFFAOYSA-N 370.482 2.807 0 50 FFAA Cc1noc(C)c1C(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052292 RGPRSSPVXJDUCL-UHFFFAOYSA-N 356.426 2.968 0 50 FFAA O=C(NCC1CCN(CCSc2ccccc2)CC1)c1cncnc1 828202231 LMUSZAIFRIFZSJ-UHFFFAOYSA-N 356.495 2.711 0 50 FFAA O=S(=O)(N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1)c1ccc(Cl)o1 1875297770 CQUYJIPXGGMVGU-POYBYMJQSA-N 369.752 2.595 0 50 FFAA C=CC(=O)N(C)CC(=O)NCc1ccnc(Oc2ccc(C)c(C)c2)c1 1875366195 FOUWVDPPIAOTQK-UHFFFAOYSA-N 353.422 2.751 0 50 FFAA C[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 1875349728 KLOGLEMAUYYUHP-ATZDWAIDSA-N 357.498 2.910 0 50 FFAA CC1(C)CCc2cc(CN[C@@H]3C[C@H](Cn4ccnc4)C[C@H]3O)ccc2O1 1875399636 GDKLTNLWWCZIIB-QXAKKESOSA-N 355.482 2.916 0 50 FFAA Cc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1NC(=O)C(C)C 952866820 FGINTLGQQXMSOI-UHFFFAOYSA-N 370.434 2.911 0 50 FFAA Cc1noc([C@H]2CCCN(c3ccc(I)cn3)C2)n1 408216561 CHPHOTMUZKDPIH-JTQLQIEISA-N 370.194 2.762 0 50 FFAA CCOc1ccc(NC(=O)c2cc(C)nc(C(F)(F)F)n2)cc1CO 186838155 MULQUNRWJZVBFL-UHFFFAOYSA-N 355.316 2.947 0 50 FFAA COC[C@H]1CN(C(=O)NCc2ccccc2OC2CCCC2)C[C@@H](C)O1 187357552 SRKLTROPUMBUPG-CRAIPNDOSA-N 362.470 2.953 0 50 FFAA O=C(c1ccccn1)N1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1 171631638 RDVWBHGRSJMLIQ-UHFFFAOYSA-N 369.812 2.747 0 50 FFAA C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](OCc2ccncc2)C1 281118289 XGTOEXPGGABJCX-XJKSGUPXSA-N 361.392 2.978 0 50 FFAA CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1(CO)CCOCC1 191034154 QBQRYDPRJNTFHB-UHFFFAOYSA-N 371.359 2.729 0 50 FFAA Cc1ccc(OCc2cccc(C(=O)N[C@](C)(C(=O)O)C3CC3)c2)cn1 191068267 LJTQPHIRXJAVPL-FQEVSTJZSA-N 354.406 2.952 0 50 FFAA O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1-n1ccnn1 193894300 OAUDVNMUFVCRJG-UHFFFAOYSA-N 368.466 2.962 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCC(Oc3ncccn3)CC2)c1 1506421266 NVPHKRSYQKCSKX-QGZVFWFLSA-N 368.481 2.814 0 50 FFAA CCCC1(NC(=O)[C@H]2OCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)CC1 1529161415 ILDLRQKQUMNLRT-MOPGFXCFSA-N 372.465 2.575 0 50 FFAA Cc1ccsc1[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1O 215216947 DKQQZLGKHJEPGZ-RDJZCZTQSA-N 368.462 2.628 0 50 FFAA CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCC2CC2)c1=O 12155317 ZNTAPXKYLCABNQ-ZDUSSCGKSA-N 359.470 2.632 0 50 FFAA Cc1nn(C)cc1CNC(=O)[C@@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2 1857527984 PXBDDWOCANUWNP-DCPHZVHLSA-N 353.470 2.634 0 50 FFAA CC(C)(C)c1nc(O)c2c(n1)[C@@]1(CCCN(C(=O)c3cc[nH]c3)C1)CC2 1857696809 NUUOZALLGIWQSQ-FQEVSTJZSA-N 354.454 2.928 0 50 FFAA CC(C)c1ccc(-n2cc(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)cn2)cc1 1857737920 JLMMVGZTELJQSA-DXBBTUNJSA-N 367.493 2.967 0 50 FFAA C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(-c2cccs2)on1 329947749 KEOVIMBXOFYRIX-ZDUSSCGKSA-N 361.467 2.728 0 50 FFAA COCCN(Cc1ccccc1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 133507127 DLDQRUQMJPBMMA-UHFFFAOYSA-N 355.442 2.528 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3C[C@H]4COC[C@@H](C3)CN4C)c2)cc1 1704316588 WHMOCASXCMIOEU-UZLBHIALSA-N 366.461 2.765 0 50 FFAA Cc1cc(C)cc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)c1 858084 PXIYXXZJBLYXSB-WMZOPIPTSA-N 354.406 2.876 0 50 FFAA COc1ccc(CC2=NO[C@H](CNC(=O)c3ccc(OC)c(F)c3)C2)cc1 12098987 DQVBLDSWTODZKI-KRWDZBQOSA-N 372.396 2.960 0 50 FFAA COC(=O)c1cc2cc(COC(=O)[C@@H]3CC[C@@H]([C@H]4CCCO4)O3)ccc2o1 2325781134 OGGFOFLMNHCENX-IKGGRYGDSA-N 374.389 2.989 0 50 FFAA CC(C)NS(=O)(=O)c1cccc(-c2nc([C@@H](C)c3cccnc3)no2)c1 2325788819 JCPRWAKPUGGRHK-ZDUSSCGKSA-N 372.450 2.970 0 50 FFAA Cc1nc(COC(=O)c2nn(C)c(Cl)c2Br)cs1 2325789143 WKNBVVASYDJIGO-UHFFFAOYSA-N 350.625 2.958 0 50 FFAA Cc1csc(CNc2cccc(C(=O)N3CC(=O)NC[C@H]3C(C)C)c2)n1 2325796817 RHHKLOOJGHHDMA-INIZCTEOSA-N 372.494 2.660 0 50 FFAA COC(=O)C12CC(CNCc3c(Br)noc3C3CC3)(C1)C2 2325802263 VCEQMYNODUNDJE-UHFFFAOYSA-N 355.232 2.747 0 50 FFAA O=C(NC12CC3C[C@H]1[C@H]2C3)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 2325827528 IUNGRGVXWORZOY-POIAJNEKSA-N 364.367 2.973 0 50 FFAA C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(F)cc1 638537 XPSURYOKYPYZII-SECBINFHSA-N 356.806 2.618 0 50 FFAA CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 892633 VYLJKBHIINZIPE-GFCCVEGCSA-N 362.455 2.961 0 50 FFAA COCCN1CC[C@H](CNc2nccc(-c3ccc(N(C)C)cc3)n2)C1 2356136665 DIUBVJRHXKQSTK-MRXNPFEDSA-N 355.486 2.590 0 50 FFAA CNC(=O)Cc1nc(-c2ccc3cccc(F)c3n2)n(CC(C)(C)C)n1 2356143696 SMJKNUIRSSSAHH-UHFFFAOYSA-N 355.417 2.967 0 50 FFAA CCCN1CCC[C@@]2(CCCN2Cc2nn[nH]c2-c2ccccc2)C1=O 2356151682 UEAFFLGKOSGPBO-HXUWFJFHSA-N 353.470 2.839 0 50 FFAA CCN=c1nc(N2C[C@@H]3[C@@H](CCC[C@@]3(O)CC)C2)cc(C(F)(F)F)[nH]1 2356164489 VDDKPDJXRZXIRW-OZVIIMIRSA-N 358.408 2.727 0 50 FFAA C[C@H](C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 2888608 LFIJNFKDTIAYFU-CYBMUJFWSA-N 358.891 2.897 0 50 FFAA COc1cccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 3004574 VNTZAMZXSFJBCV-UHFFFAOYSA-N 352.312 2.969 0 50 FFAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NC[C@@H]1CCCO1 4070872 IERCOWBWJQSXNM-HNNXBMFYSA-N 366.417 2.511 0 50 FFAA CC(=O)Oc1ccc(NC(=O)COc2cccc(C)c2C)c(C(=O)O)c1 4825236 AGDJJDIJGWFORR-UHFFFAOYSA-N 357.362 2.944 0 50 FFAA O=c1[nH]c(CCNCc2c[nH]nc2-c2ccc(F)cc2)nc2ccccc12 55369519 VLFRDFCRVRCXKJ-UHFFFAOYSA-N 363.396 2.785 0 50 FFAA CC(C)c1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1 100613825 MCJJBFQBSMMAOE-UHFFFAOYSA-N 370.434 2.881 0 50 FFAA Cc1ccccc1C(=O)N1C[C@H]2[C@H](CN(C)CCCc3cnn(C)c3)[C@H]2C1 102004253 XLPUNHOIJIZASE-MZADTFQBSA-N 366.509 2.611 0 50 FFAA O=C1CCC2(CCN1)CCN(C(=O)c1cnc(-c3cccs3)nc1)CC2 67758350 CPRPDCLQOPIUPO-UHFFFAOYSA-N 370.478 2.728 0 50 FFAA COc1cc(OC)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1Cl 247838992 KFEWFGYTMYAPTN-WDQYXFPCSA-N 351.786 2.819 0 50 FFAA O=C(CN1CCN(Cc2ccco2)CC1)Nc1nc2ccccc2s1 23008839 JKJPPJUYDIAWFM-UHFFFAOYSA-N 356.451 2.646 0 50 FFAA Cc1cc(-n2nc(C3CC3)nc2[C@@H](Cc2ccccc2)n2cnnn2)ccn1 65406388 AUHRMTNAVCIZNQ-GOSISDBHSA-N 372.436 2.667 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 17075619 SDPKHPFRFQIOOV-UHFFFAOYSA-N 368.499 2.853 0 50 FFAA Cc1nc([C@@H]2CCCN(C(=O)c3ncccc3O)C2)cc(N2CCCC2)n1 72433184 PZBLATBZDWNIAE-OAHLLOKOSA-N 367.453 2.506 0 50 FFAA C[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525819 PPCJYCOVGLOJEJ-HXUWFJFHSA-N 362.364 2.925 0 50 FFAA CCC(CC)N1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67855685 FJPLAJIYRYCJCP-HXUWFJFHSA-N 361.461 2.847 0 50 FFAA CN(Cc1ccco1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O 67851402 ZJGGOVAGOGNREN-NRFANRHFSA-N 356.466 2.698 0 50 FFAA O=c1ccc2cc(S(=O)(=O)Nc3cc4ccccc4oc3=O)ccc2o1 22014676 OWPRNOXDEIQIGL-UHFFFAOYSA-N 369.354 2.700 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71754075 CJEDCPYZVXNUNC-ZDUSSCGKSA-N 371.391 2.888 0 50 FFAA Cc1cccc(Cc2nnc(CCC(=O)N3CCCC[C@H]3CCO)o2)c1 11932701 AXANFOICIFIVCJ-KRWDZBQOSA-N 357.454 2.665 0 50 FFAA O=C(c1ccccc1-n1cncn1)N1CCCN(Cc2cccs2)CC1 77287070 QKEXJZLJDJPJSM-UHFFFAOYSA-N 367.478 2.677 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)s1 12092394 KWINFCKEPWZFCZ-QGZVFWFLSA-N 371.506 2.652 0 50 FFAA O=c1c(Cl)c(Cl)cnn1Cc1nc(COc2ccc(F)cc2)no1 124887163 JPOPCFKQPUCBAG-UHFFFAOYSA-N 371.155 2.700 0 50 FFAA Cc1ccsc1[C@@H]1CCN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@H]1O 67755182 RWPGFCLMVPKUED-CRAIPNDOSA-N 373.522 2.968 0 50 FFAA Cc1noc(-c2ccnc(N3CCC(n4cc(C5CC5)nn4)CC3)c2)n1 63834970 YFWYOUNYOURGAN-UHFFFAOYSA-N 351.414 2.750 0 50 FFAA Cn1cnnc1SCC(=O)N1CCCC[C@H]1CCc1cccc(O)c1 219349582 MXMPBAXYLWPQRG-HNNXBMFYSA-N 360.483 2.627 0 50 FFAA CC[C@@H]1C[C@@H](C(=O)N(C)C[C@@H]2OCCN(C)[C@H]2c2ccccc2)CCO1 284752453 FKVYHSGGBTWDKD-YRPNKDGESA-N 360.498 2.722 0 50 FFAA CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)cn1 331937894 PHJOYFVAOOIYEC-VIBAHUMZSA-N 374.485 2.858 0 50 FFAA C[C@H](O)C(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 67713949 CFJJGFHDQRLDHU-HNNXBMFYSA-N 361.445 2.855 0 50 FFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccccc1NCC(=O)O 65403663 BSAYAOHMUCROKO-CQSZACIVSA-N 356.422 2.895 0 50 FFAA CS(=O)(=O)C1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1 173467439 QMHCQONSUOFVSC-UHFFFAOYSA-N 364.511 2.763 0 50 FFAA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1ccncc1Cl 284905201 SEUHJVYOLHITQF-ROUUACIJSA-N 359.857 2.879 0 50 FFAA Cc1noc(C)c1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 72151300 XPQUVOKCUIMPKN-KRWDZBQOSA-N 363.417 2.976 0 50 FFAA COc1ccc(-n2cccn2)c(CN2CCC[C@H](Cn3ccnc3)C2)c1 72153355 CVSBNBCREGXJCY-KRWDZBQOSA-N 351.454 2.990 0 50 FFAA CCc1nc(N2CCC[C@]3(CCS(=O)(=O)C3)C2)c2ccsc2n1 333695074 NBJCKWVNESAVIQ-INIZCTEOSA-N 351.497 2.659 0 50 FFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[C@H]([C@@H](C)N)C3)n2)n1 237376715 OBVZETXGPSJFEH-KGLIPLIRSA-N 361.877 2.737 0 50 FFAA OCC1(CN2CCCC2)CCN(Cc2cnn(-c3ccccc3)c2)CC1 219987996 CCXZUSUVXHFENV-UHFFFAOYSA-N 354.498 2.543 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1 36162592 ORWAJIREOYESDV-UHFFFAOYSA-N 358.507 2.934 0 50 FFAA CCC(C)(C)C(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 72440506 VRUOKDAXQWCHJB-MRXNPFEDSA-N 360.502 2.764 0 50 FFAA CS(=O)(=O)Cc1ccccc1NC(=O)c1ccc(OCC(F)F)nc1 129339951 GISDGJLJTPMVLC-UHFFFAOYSA-N 370.377 2.522 0 50 FFAA O=C(c1ccc(=O)[nH]c1)N1CCC[C@@](CCCc2ccccc2)(C(=O)O)C1 71750216 SYKMVULXHMYLCO-OAQYLSRUSA-N 368.433 2.705 0 50 FFAA CCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 241371348 MMVPMSVFWSYTIK-NBLIUIFLSA-N 362.813 2.551 0 50 FFAA CC1CCN(CCNC(=O)c2cccnc2O[C@H](C)C(F)(F)F)CC1 242273636 YEOGUHYDHZLTTQ-CYBMUJFWSA-N 359.392 2.873 0 50 FFAA O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC(Oc2cccc(Cl)c2)C1 215039175 IINGTXQJJYIOMY-UHFFFAOYSA-N 369.808 2.722 0 50 FFAA Cc1nccn1CCCC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 72137220 UYGFYDRPWHSJLV-KRWDZBQOSA-N 355.438 2.761 0 50 FFAA O=C(Nc1cnn(-c2ccccc2)c1)N[C@H](c1ccccc1)c1nc[nH]n1 364849619 FXXYHKSHHGBPFH-QGZVFWFLSA-N 359.393 2.902 0 50 FFAA O=C(O)[C@H]1CCCCN1C(=O)Cc1coc(-c2ccc(F)c(F)c2)n1 365355139 MGOIUADCBUCFMV-CQSZACIVSA-N 350.321 2.628 0 50 FFAA CC(C)N1CCO[C@H](CC(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 77458536 WOBVWWGRVCESNZ-LJQANCHMSA-N 364.461 2.695 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2cc[nH]c2c1 219113950 BZCJMSSHBZRDRG-NVXWUHKLSA-N 357.435 2.729 0 50 FFAA CN(CC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)Cc1ccncc1 77393719 XODABIONKZFQCT-GOSISDBHSA-N 371.456 2.970 0 50 FFAA Cc1c(Cl)cccc1NC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 72421067 LFRYJVUUPKDVRX-AWEZNQCLSA-N 365.861 2.894 0 50 FFAA O=C(N[C@H]1CNCC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 189031885 MUFSPHWLRHMHLI-CJNGLKHVSA-N 360.360 2.569 0 50 FFAA O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC(c2cnc[nH]2)CC1 377274085 VMUAKIAFOIWWDS-INIZCTEOSA-N 356.451 2.619 0 50 FFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1c1ccccc1 262881979 KSIKKCHSZDSJBY-OKZBNKHCSA-N 351.402 2.565 0 50 FFAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)CCn3cc(Cl)cn3)C2)cc1 72428064 GLRTUOCLEDUYAC-CQSZACIVSA-N 361.829 2.716 0 50 FFAA Cc1nccc(C2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)CC2)n1 221396950 PSMCXVYXWJFROR-UHFFFAOYSA-N 374.444 2.676 0 50 FFAA C[C@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)n1ccnc1 426551912 BSINENUAJRGVOJ-CYBMUJFWSA-N 367.371 2.973 0 50 FFAA CN(C)[C@H](C(=O)NCC1(N2CCCC2)CCCC1)c1ccc2c(c1)OCO2 426563345 ZGTJVYNQVQKUOI-IBGZPJMESA-N 373.497 2.543 0 50 FFAA O=C(NCc1ccc(Cl)s1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 178656900 JDGPLADXFNXLBQ-HUUCEWRRSA-N 371.934 2.969 0 50 FFAA Cc1ccc2cc(CN3CCCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 223090837 KGTWLGODFPIGDU-UHFFFAOYSA-N 365.433 2.778 0 50 FFAA COCc1nc(NCc2nc3c(s2)CCCC3)cc(C2CC(N)C2)n1 220481887 LKVMJUOIZJVIAB-UHFFFAOYSA-N 359.499 2.775 0 50 FFAA CC(C)(C(=O)O)n1cc(NC(=O)COc2ccc(F)cc2Cl)cn1 193008656 QTLYFNWBOKGSHN-UHFFFAOYSA-N 355.753 2.513 0 50 FFAA Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1C 82121446 FGLXNZYXJCNRPF-NRFANRHFSA-N 358.482 2.531 0 50 FFAA O=C(NCCC(=O)N1CCCC1)c1cccc(-c2ccccc2CO)c1 426667452 KXPQKTRXNMZROX-UHFFFAOYSA-N 352.434 2.588 0 50 FFAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccccc1-n1cnnc1 426544251 BMYZZUICIKTJCA-UHFFFAOYSA-N 360.377 2.590 0 50 FFAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cc(N(C)C)ncn2)cc1 426386495 XUIMJHLGRSXZEN-AWEZNQCLSA-N 362.437 2.833 0 50 FFAA Cc1ccc2[nH]c(CN3CCNC(=O)[C@H]3c3cccc(F)c3)cc(=O)c2c1 91829071 HRASLOKCTMOBDV-HXUWFJFHSA-N 365.408 2.649 0 50 FFAA C[C@H](Cc1ccccn1)NC(=O)N(Cc1ccncc1)C1CCN(C)CC1 426433713 WSHRVCLZWPWIGB-QGZVFWFLSA-N 367.497 2.714 0 50 FFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1I 239030799 CITXLFQALSQCDK-RBJBARPLSA-N 365.170 2.603 0 50 FFAA COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccccc1N1CCOC1=O 96139285 MHWCDQFENBJYCU-QGZVFWFLSA-N 370.409 2.890 0 50 FFAA Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 91986845 NIMHDRMKSOMMOJ-VQTJNVASSA-N 364.493 2.954 0 50 FFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NC2CCC2)c1 95517862 WEMBXBKCVOIRTG-UHFFFAOYSA-N 372.465 2.757 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)CCN1CCOCC1 426547625 NCUHGVLROFGGND-AWEZNQCLSA-N 369.893 2.601 0 50 FFAA Cc1ccc(CN(CCO)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 180965059 DKLRUYNFBPGHJK-IBGZPJMESA-N 366.461 2.907 0 50 FFAA CC(=O)c1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)s1 91575503 CUTLJVFNCLLSDF-LJQANCHMSA-N 360.479 2.815 0 50 FFAA O=C(COCc1ccccc1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 91460709 DYIVNDPILYKZFG-NRFANRHFSA-N 356.466 2.597 0 50 FFAA C[C@@]1(c2ccccc2)CCCN(c2cncc(C(=O)N3CCOCC3)n2)C1 91756326 CDPPXCSSHXEROL-OAQYLSRUSA-N 366.465 2.507 0 50 FFAA O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)N1CCOc2cc(O)ccc2C1 297393845 FRDFVJHACDWYQN-SJLPKXTDSA-N 369.421 2.612 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC1=CSC2=NCCN12)CC3 244724681 MYNKALMMPZXLIU-UHFFFAOYSA-N 368.462 2.711 0 50 FFAA Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3CCOCC3)cc2)n1 244852770 UYMGLXRHOMWUSJ-KRWDZBQOSA-N 356.426 2.582 0 50 FFAA Cc1cccc(-c2noc(CN3C[C@@H](C(=O)O)[C@H](C(F)(F)F)C3)n2)c1 299746422 XFXWTJLYCNRCCG-VXGBXAGGSA-N 355.316 2.740 0 50 FFAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCOC1)c1ccc(Br)cc1 299742085 GTNTZGAZHPDWIT-ZWNOBZJWSA-N 356.216 2.508 0 50 FFAA Cc1noc(C)c1CCNC(=O)c1cc2n(n1)C[C@@H](c1ccccc1)OC2 263618140 RLBLGIIIFLDUBP-IBGZPJMESA-N 366.421 2.732 0 50 FFAA O=C(N[C@H]1CN2CCC1CC2)c1cccc(-c2cnn(CC3CC3)c2)c1 534676017 URFCJPHEBGSDBE-FQEVSTJZSA-N 350.466 2.784 0 50 FFAA O=C(C1CCC1)N1CCn2nc(CNc3ncnc4sccc34)cc2C1 299773343 FFDNSMGGMWCHDI-UHFFFAOYSA-N 368.466 2.642 0 50 FFAA CNC(=O)[C@H]1CCN(C(=O)Nc2ccccc2Sc2c(C)n[nH]c2C)C1 299799026 UGUKKZNBBXFZSD-ZDUSSCGKSA-N 373.482 2.778 0 50 FFAA Cc1nc(CC(C)C)cc(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)n1 299778972 IXOZXWPVGKICHL-GFCCVEGCSA-N 366.425 2.920 0 50 FFAA Cc1nc2c(NC(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cccn2n1 299763122 GTSDFHHCEZCAAL-AWEZNQCLSA-N 364.409 2.560 0 50 FFAA Cc1cc(N2CCN(C(=O)NCCCN3CCC[C@H](C)C3)CC2)cc(C)n1 822413196 UEGXIXZAFMIAHU-KRWDZBQOSA-N 373.545 2.652 0 50 FFAA Cc1csc(CCNC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)n1 584894463 GKJNNFNOTDKRNG-MRXNPFEDSA-N 360.483 2.780 0 50 FFAA COCCc1nc([C@H]2CCCN(c3ccccn3)C2)n(-c2cccnc2)n1 670461648 SKYHAVPKAIGPPJ-INIZCTEOSA-N 364.453 2.630 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 1875379391 SQEJZRDVZCHJTI-QXAKKESOSA-N 374.456 2.929 0 50 FFAA COC(=O)c1cccc(-c2ccccc2CN2C(=O)[C@@H](C)NC2=S)c1 1875315283 NXIRJLHCLZNXCX-GFCCVEGCSA-N 354.431 2.745 0 50 FFAA Cc1nc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c2n1CCNC2 1875394018 YHSBHFNWOAKFLY-UHFFFAOYSA-N 372.900 2.897 0 50 FFAA O[C@@H]1CCN(c2ncc3c(n2)COC3)[C@@H]1c1ccc(Br)cc1 1875392303 MLWRUOLAOIRPMQ-HUUCEWRRSA-N 362.227 2.582 0 50 FFAA Cc1ccc2oc(NC[C@H]3CCC(=O)N(C)[C@@H]3c3cnn(C)c3)nc2c1 886088818 WLMXWFSHXIHIBM-ACJLOTCBSA-N 353.426 2.891 0 50 FFAA Cc1cc(C)c(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)c(O)n1 1565508204 BOANRRABACUDBY-IRXDYDNUSA-N 356.422 2.508 0 50 FFAA C[C@@H]1CCC[C@]2(C1)NC(=O)N(Cc1cnn(Cc3ccccc3)c1)C2=O 170592498 MVWNRDPWCMMQMX-FOIQADDNSA-N 352.438 2.932 0 50 FFAA Cn1cc(C[C@@H]2CCN(C(=O)c3ccc4c(c3O)OC(C)(C)C4)C2)cn1 170649252 QWRTUWQYUGIGSL-ZDUSSCGKSA-N 355.438 2.544 0 50 FFAA COC[C@H]1CN(C(=O)NCc2ccccc2OC2CCCC2)C[C@H](C)O1 187357570 SRKLTROPUMBUPG-MAUKXSAKSA-N 362.470 2.953 0 50 FFAA CC(C)(C)N1CCN(C(=O)c2ccc(-n3cncn3)nc2)c2ccccc21 190591031 UMSWYYPSMACCMS-UHFFFAOYSA-N 362.437 2.928 0 50 FFAA Cc1cc(C)n(C[C@@H](C)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 1506427223 LERXXESUXXEBOG-GFCCVEGCSA-N 374.436 2.581 0 50 FFAA CN(C[C@@H]1CCN(c2ccccc2)C1)c1cncc(C(=O)N2CCCC2)n1 1506405241 JBNGZLNNXHYAJV-KRWDZBQOSA-N 365.481 2.675 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)c(OC)c1 213351573 FQIHFHKLTXIDCA-MSOLQXFVSA-N 358.482 2.927 0 50 FFAA O=C([C@@H](Cc1ccc(O)cc1)c1ccccc1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800410463 UFXUAJIMPIADNG-ZSXPUABSSA-N 351.446 2.948 0 50 FFAA Cc1cccc2cc(C(=O)N3C[C@@H](CO)C[C@@H](CN4CCCC4)C3)oc12 219762305 KYRUWQALYJIRQA-IRXDYDNUSA-N 356.466 2.908 0 50 FFAA O=C(Cc1ccsc1)N1CCCN(C(=O)NCc2cccs2)CC1 1772812899 RMGGTSWQVQIXGO-UHFFFAOYSA-N 363.508 2.796 0 50 FFAA CCOc1ccccc1N1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1772806567 BIYDKGYUQVBOGK-SFHVURJKSA-N 359.514 2.854 0 50 FFAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(Cc3ccccc3F)CC2)C1 12573333 AGZLTFUQCUAEGN-QGZVFWFLSA-N 359.489 2.781 0 50 FFAA Cc1ccc(-n2cc(CN(C)C[C@@H](O)CO)c(-c3ccc(F)cc3)n2)cc1 12588037 WZEUFOYUYCDCRG-HXUWFJFHSA-N 369.440 2.772 0 50 FFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 13791372 OGMLTGLOFIJVCI-SECBINFHSA-N 351.255 2.604 0 50 FFAA O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1ccc(F)cc1 14962802 MDBPSJYBKPXWFR-FQEVSTJZSA-N 360.404 2.608 0 50 FFAA CC(C)C(=O)NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 15003575 SHBMPVLDOJGUFM-INIZCTEOSA-N 374.510 2.870 0 50 FFAA CSCCCNC(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1 15066829 OGRKYCFPQJWGOB-UHFFFAOYSA-N 353.469 2.803 0 50 FFAA CN1CCN(c2cccc(N3CCC(NC[C@H]4CCCCO4)CC3)c2)C1=O 19608230 YIOXDWMWONPGCD-HXUWFJFHSA-N 372.513 2.686 0 50 FFAA CC[C@@]12COC(=O)N1CCN(C(=O)c1csc(Cc3ccccc3)n1)C2 1857678969 OJSIZHNGKNFQOI-LJQANCHMSA-N 371.462 2.791 0 50 FFAA O=S(=O)(CC1CCCC1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857681374 BRMPSUNNDQTUMY-ZCNNSNEGSA-N 363.523 2.965 0 50 FFAA O=C(c1ccc(O)nc1)N1CCC2(CC1)C[C@@H](O)C[C@H](c1ccccc1)O2 1857708754 LXTMZZXAYBUSCW-ZWKOTPCHSA-N 368.433 2.675 0 50 FFAA O=C(c1ccc2cccc(F)c2n1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CC1 216971105 RYICYSBLIIRULW-CVEARBPZSA-N 367.424 2.847 0 50 FFAA CCOC(=O)c1c[nH]c2c(C)cc(C)cc2c1=NCCCN1CCOCC1 5958498 OCCBEYIVJPPUMA-UHFFFAOYSA-N 371.481 2.584 0 50 FFAA C[C@H]1C[C@H](N)CCN1C(=O)CCCOc1cccc(Br)c1 237586806 CVOAPDMPJADYCU-GXTWGEPZSA-N 355.276 2.946 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 237646860 WGLAKHHJBKONIC-IOASZLSFSA-N 352.228 2.876 0 50 FFAA O=c1cc(C2CCC2)nc(-c2cccc(CN3CCc4[nH]ncc4C3)c2)[nH]1 19228537 OVCACFVBDSJOAE-UHFFFAOYSA-N 361.449 2.986 0 50 FFAA O=C(Cn1cc(C2CC2)nn1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 153667686 DHQURQUDDFPTOX-MRXNPFEDSA-N 364.808 2.548 0 50 FFAA COc1cc(CNC(=O)C[C@H]2CCOc3ccccc32)ccc1C(=O)O 371324536 YBLDNDUVQMACQO-CQSZACIVSA-N 355.390 2.966 0 50 FFAA Cc1onc(OC(F)F)c1NS(=O)(=O)c1cccc2c1OCCC2 844665253 CEEUCDYFGISFBE-UHFFFAOYSA-N 360.338 2.710 0 50 FFAA CCc1nc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)no1 932066785 JBFQKYPNSHETAG-ZIAGYGMSSA-N 354.376 2.785 0 50 FFAA COc1cc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)ccc1O 12445403 WRRXYNZSMSXGFY-SXGWCWSVSA-N 352.415 2.788 0 50 FFAA COc1ccc2onc(CC(=O)N3CCC(n4cc(C)cn4)CC3)c2c1 2325752370 RKGTTXHIKWXISU-UHFFFAOYSA-N 354.410 2.748 0 50 FFAA O=C(N=c1ccn(-c2ccc(F)cn2)[nH]1)c1ccc(CN2CCCCC2)o1 2325764023 UYMMCKPDACDXAL-UHFFFAOYSA-N 369.400 2.660 0 50 FFAA Cc1c(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(F)(F)F)nnn1[C@H]1CCOC1 2325783092 YAVDVUAYTCZIEB-XUXIUFHCSA-N 372.391 2.884 0 50 FFAA O=C(O)[C@@H]1CCC[C@H]1Nc1ccc(F)cc1S(=O)(=O)C(F)(F)F 2325827515 IKIHODSMJGNVAU-RKDXNWHRSA-N 355.309 2.784 0 50 FFAA CC[C@H](C)CC(=O)N(C)CCN(C)C(=O)CC1C[C@@H]2CC[C@H](C1)N2C 2325867201 OEHBBGVPBPSLFH-OOKSDGMUSA-N 351.535 2.602 0 50 FFAA Cc1ccc(N([C@H](C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C 1060807 BYTUULORBPZBGP-MRXNPFEDSA-N 352.500 2.716 0 50 FFAA COc1cccc(N2C[C@H](C(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 1072198 OJHRXJHWVSKSEA-OAHLLOKOSA-N 352.390 2.889 0 50 FFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccncc2OC)CC1 2356142119 FTHHWYPXTFKXHM-UHFFFAOYSA-N 368.433 2.803 0 50 FFAA Cc1nc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c2[nH]ccc2n1 2356146174 VNBUDQFGEBWGAP-HXUWFJFHSA-N 363.469 2.607 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)cc1F 2356149135 LLXZHDWIISSMCM-SJLPKXTDSA-N 353.393 2.970 0 50 FFAA COc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1Cl 2857951 JQXAKCSZYVQUER-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)nc3ccc(Cl)cc13)C2 2356163844 TVZZBLOCNMSIPK-DJJJIMSYSA-N 360.841 2.932 0 50 FFAA CCCCCc1nc(-c2ccc3cc[nH]c3n2)n([C@@H]2CCS(=O)(=O)C2)n1 2356166143 PKMABZGFSQUKOM-CQSZACIVSA-N 373.482 2.914 0 50 FFAA Cc1ccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)cc1 4819203 DJZWPMWOJCHJCS-IBGZPJMESA-N 374.506 2.647 0 50 FFAA CN(C(=O)Cn1nc(-c2ccccc2)ccc1=O)[C@@H]1CCc2ccccc2C1 114281993 BOCVMDSNDMPKED-HXUWFJFHSA-N 373.456 2.926 0 50 FFAA COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2cc(C)no2)c1 21719696 XAAZNCGKAFSSOK-CYBMUJFWSA-N 352.412 2.526 0 50 FFAA Nc1nc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2s1 20861538 BBKNEGWPHPXGET-UHFFFAOYSA-N 354.435 2.967 0 50 FFAA CCc1cn[nH]c1C1CCN(C(=O)C(C)(C)NC(=O)c2cccs2)CC1 67472660 KRMFSCBUYUVHDW-UHFFFAOYSA-N 374.510 2.948 0 50 FFAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1 67621666 HWRDTJLWPSTTEK-UHFFFAOYSA-N 374.514 2.691 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NC/C=C/c2ccc(F)cc2)CC(=O)N1C 328641011 XTNHGXOQLNIGLO-HOQHSMRBSA-N 356.445 2.751 0 50 FFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COCCN1C1CCCC1 329037993 ZKRIFULECBVFKG-HDAAZOAOSA-N 364.530 2.562 0 50 FFAA COc1cc(OC)c(OC)cc1CN1CCC2(CCNC(=O)CC2)CC1 67756582 SPWOLBUAQGZXCZ-UHFFFAOYSA-N 362.470 2.595 0 50 FFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(=O)N(CC2CC2)CC1 20500094 KGGXTISKYHUPNH-AWEZNQCLSA-N 364.873 2.887 0 50 FFAA C[C@@H](C(=O)Nc1ncccn1)N1CCC(Oc2ccc(F)cc2F)CC1 125064775 UIHHDLYXPADWPW-LBPRGKRZSA-N 362.380 2.625 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2C[C@H](C)OC(C)(C)C2)cc1 137136890 KHSCQIPQHIABOJ-LBPRGKRZSA-N 357.410 2.518 0 50 FFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)c1cccc(Br)c1 331214744 NHMZSKHPJSFJOQ-KKUMJFAQSA-N 356.260 2.660 0 50 FFAA COCCc1nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2o1 11703645 OBWLKKBRLDMMQJ-UHFFFAOYSA-N 354.362 2.675 0 50 FFAA Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N3CCC[C@H](CO)[C@@H]3C)C2)c1 331795596 LFFGTFDMHBBDOF-OKZBNKHCSA-N 373.497 2.858 0 50 FFAA CCCc1nc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)nn1-c1ccccc1F 236925336 BXEXHWKUVDFYAF-UONOGXRCSA-N 359.449 2.558 0 50 FFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccc(OC)cc2)=NO1 5028954 MYAAKWVUKUQOOM-KRWDZBQOSA-N 354.362 2.614 0 50 FFAA CC[C@@H]1[C@@H](NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)[C@@H]2CCO[C@@H]21 219937231 DNQLKRJINFWSCE-ANGCBRKESA-N 368.359 2.600 0 50 FFAA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 6400599 SRBRSZVANJMXRA-UHFFFAOYSA-N 355.463 2.538 0 50 FFAA CC(C)c1cc(NC[C@@H](c2ccncc2)N2CCOCC2)n2nccc2n1 72432820 WEKXAQKJMJWTLY-SFHVURJKSA-N 366.469 2.733 0 50 FFAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72129553 PKKXLYGFZHPWCM-QFIPXVFZSA-N 372.428 2.998 0 50 FFAA O=C1CCCN1CCC1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 77341574 NPWULQKHHNJRFJ-SFHVURJKSA-N 364.873 2.625 0 50 FFAA C[C@H](c1cccnc1)N(C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 216408101 QYVSATXVQUQGCB-QGZVFWFLSA-N 369.465 2.512 0 50 FFAA Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc1C 72436185 JAOPIDPJZIZOOX-INIZCTEOSA-N 370.501 2.905 0 50 FFAA COC[C@@]1(C(=O)N2CCSC(C)(C)C2)CCN(C(=O)OC(C)(C)C)C1 253419412 MWRAHRTZCWPBFP-GOSISDBHSA-N 372.531 2.614 0 50 FFAA Cc1c(C)c(C)c(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)c1C 151272580 FPRLDOPNHJUUHO-OAQYLSRUSA-N 371.481 2.565 0 50 FFAA COc1ccc(-c2noc(CCCC(=O)N3CC[C@]4(CCOC4)C3)n2)cc1 153025200 IRHQWNOYAFOERE-FQEVSTJZSA-N 371.437 2.707 0 50 FFAA Cc1nc(C)n(CC(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 72419230 BJFQNPOMKOCLPU-IRFCIJBXSA-N 368.481 2.574 0 50 FFAA O[C@H]1[C@H](n2cc(CC3CCCC3)nn2)c2ccccc2C12CCNCC2 72122521 MQUGLASIVUEIMV-UXHICEINSA-N 352.482 2.596 0 50 FFAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnc(C4CC4)[nH]c3=O)[nH]c2c1 72429747 DRENQEYBDOHXAI-MRXNPFEDSA-N 363.421 2.809 0 50 FFAA CC[C@H]1CN(Cc2nnc(C3CC3)o2)CCC(=O)N1Cc1ccccc1 71575644 PMYMGVYCASEECT-KRWDZBQOSA-N 354.454 2.960 0 50 FFAA CCCc1cc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)CC2)n(C)n1 77470752 BJYLMGIJBKYUAF-UHFFFAOYSA-N 362.424 2.609 0 50 FFAA Cc1nc2c(c(NCCO)n1)CCN(Cc1cc3ccccc3o1)CC2 72407179 KLZBJKBUCATOGQ-UHFFFAOYSA-N 352.438 2.536 0 50 FFAA NC[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)C1 178529586 HEUMCXAVYFDHJU-SNVBAGLBSA-N 361.667 2.679 0 50 FFAA CCn1ccnc1CN1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 426739139 YQCSQPUMVRPKKY-FUHIMQAGSA-N 356.470 2.889 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)c1 239309199 HHBKTMOFNIDVNJ-DEGRCIOYSA-N 364.445 2.685 0 50 FFAA CC(C)COc1ncc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1Cl 180696694 NIPKWGIXDUHRSP-AWEZNQCLSA-N 366.767 2.909 0 50 FFAA COCc1nc(NCCn2c(C)cc3ccccc32)cc([C@H]2CCOC2)n1 426658327 KCYRYAPKSUIILL-KRWDZBQOSA-N 366.465 3.502 0 50 FFAA COc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)ncn1 91965790 ZIRNXQSMKWRLRH-INIZCTEOSA-N 350.426 2.509 0 50 FFAA Cc1ccccc1CC1(NC(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 97805583 MWCNPNQOSRJVIS-HXUWFJFHSA-N 365.477 2.655 0 50 FFAA c1nc2ccc(-c3noc(-c4coc(CN5CCOCC5)c4)n3)cc2[nH]1 96150661 CZKFPABHVWBFTH-UHFFFAOYSA-N 351.366 2.705 0 50 FFAA O=C(c1cc(F)c[nH]1)N1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]2CCCC[C@H]21 295497491 DFPUJOXFADYWFH-HZPDHXFCSA-N 362.380 2.530 0 50 FFAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc(N2CCN(C)C2=O)c1 95502611 JKOCSCIWSBIMGB-QGZVFWFLSA-N 360.458 2.981 0 50 FFAA COCCS(=O)(=O)NCc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1 163349548 BSCIWQKILJJEOW-CQSZACIVSA-N 361.463 2.743 0 50 FFAA COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1cc(C)ccc1C 239222092 UIZSNGWYNLFTHM-INMHGKMJSA-N 361.438 2.915 0 50 FFAA COc1ccc(O)cc1-c1c(-c2ccccc2)ncn1[C@@H](CO)C(=O)O 91595777 FYELJOHNQQHDIN-HNNXBMFYSA-N 354.362 2.549 0 50 FFAA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)c1 239309201 HHBKTMOFNIDVNJ-PSJNWGMYSA-N 364.445 2.685 0 50 FFAA COc1ccc(C2(C(=O)N3CC[C@@]4(CCCNC4=O)C3)CCCC2)cc1 91304967 ZPNKNUKSLLQUGG-FQEVSTJZSA-N 356.466 2.636 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)[C@H]3CC(=O)OC34CCCC4)CC2)o1 97505861 WATWVPPFIZDFON-GOSISDBHSA-N 374.481 2.792 0 50 FFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CCCN3CCCCC3=O)C2)cc1 95391142 LNFAFNYJMJSDMB-SFHVURJKSA-N 372.465 2.884 0 50 FFAA Cc1cccc(N2CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)n1 95511527 KTOQMGXBYHXFRA-SFHVURJKSA-N 351.450 2.680 0 50 FFAA CC(C)(C)NC(=O)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 92076902 KYUDDCFSENQISF-UHFFFAOYSA-N 372.513 2.837 0 50 FFAA Cn1cnnc1Sc1ccc(CN2CCC[C@@H](c3ccncn3)C2)o1 97785173 GCGMVUCOCXFFPV-CYBMUJFWSA-N 356.455 2.729 0 50 FFAA CC(C)Cn1cncc1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95521984 JCKMHVCXZJVIQV-YLJYHZDGSA-N 355.438 2.602 0 50 FFAA Cc1ccc(CN2CCC(CNC(=O)c3ccc(N(C)C)nc3)CC2)o1 97660306 USTOMHGHUODZLC-UHFFFAOYSA-N 356.470 2.691 0 50 FFAA CC(C)c1ccc(C(=O)N[C@H]2C[C@H](c3nnc(CN(C)C)n3C)C2)cc1 244734277 NCOIHKHKPSUVAK-QAQDUYKDSA-N 355.486 2.676 0 50 FFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cccc(-c4nccc(N)n4)c3)C2)n1 534636281 KMQRRWQXPHSEMU-KRWDZBQOSA-N 362.437 2.626 0 50 FFAA CCCO[C@H]1CCCN(C(=O)NCc2nc(Cc3ccccc3)no2)C1 534665976 RCJZBNCVRNZPQU-INIZCTEOSA-N 358.442 2.761 0 50 FFAA O=C(NCCN1CCCC1)c1cccc(-c2ccc3nc(CO)[nH]c3c2)c1 534592173 HBKOCRWIYMTIRZ-UHFFFAOYSA-N 364.449 2.548 0 50 FFAA Cc1nc([C@H]2CCCN(C(=O)NCc3coc(-c4ccccc4)n3)C2)n[nH]1 274946351 OYMVBVXFGLALHO-HNNXBMFYSA-N 366.425 2.857 0 50 FFAA COc1ccc(CNC(=O)[C@H]2CC(Cc3cccc(F)c3)=NO2)c(OC)c1 299764342 ZSVGRDJWLHWXIR-LJQANCHMSA-N 372.396 2.847 0 50 FFAA Cc1nc2ccc(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)cc2nc1C 299764150 WVRLRBDEICNOKY-QGZVFWFLSA-N 371.485 2.821 0 50 FFAA CC(C)(C)NS(=O)(=O)c1cc(N)cc(C(=O)Nc2cccc(F)c2)c1 299797722 SJRWMAQWYMKOLH-UHFFFAOYSA-N 365.430 2.737 0 50 FFAA CCc1nsc(N2CCCN(c3ccc(C(F)(F)F)nn3)CC2)n1 271207277 RLKHKEFRCHJONW-UHFFFAOYSA-N 358.393 2.626 0 50 FFAA Cc1c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)oc2ccc(F)cc12 952887710 CPQLPFWQHKWTFU-IUODEOHRSA-N 358.373 2.643 0 50 FFAA O=C([C@H]1CC[C@](O)(c2ccccc2)C1)N1CCC(c2cc(O)no2)CC1 1875296217 KJUCAUBTDCTRAA-MGPUTAFESA-N 356.422 2.774 0 50 FFAA Cc1ccc(-c2noc(C[C@@](O)(c3nccn3C)C(F)(F)F)n2)cc1F 1875339928 CSQARADEKUQJBI-OAHLLOKOSA-N 370.306 2.910 0 50 FFAA O=C(O)[C@@]1(c2ccc(F)cc2)CCN(CC[S@](=O)c2ccccc2)C1 1875304028 XAFQXOPDXSXGQT-DFBJGRDBSA-N 361.438 2.662 0 50 FFAA CCN1Cc2ccccc2C[C@H]1C(=O)NCc1ncc(C)c(OC)c1C 952968319 GCMLFAQTZAHWAF-IBGZPJMESA-N 353.466 2.770 0 50 FFAA CC[C@@H](NC(C)=O)c1nc(COc2ccccc2)nn1-c1cccnc1 952969528 NYWKMEGEZWWVST-QGZVFWFLSA-N 351.410 2.829 0 50 FFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)C2CCC(F)(F)CC2)C1 886027675 BMMIHDMIBOKHSY-GOEBONIOSA-N 354.397 2.902 0 50 FFAA Cc1cnc2c(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cnn2c1 895772842 VVFGSXJWFPDOJS-MRXNPFEDSA-N 352.394 2.848 0 50 FFAA CCCc1nc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)co1 273508022 NBJKNGDKVFHDDR-QGZVFWFLSA-N 361.417 2.570 0 50 FFAA CCOc1ccc(NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)c(C)c1 277031356 XWBNPWRAYOSVMS-OAHLLOKOSA-N 370.453 2.541 0 50 FFAA CN(CC(=O)O)C1CCN(C(=O)CCCOc2ccccc2Cl)CC1 186624508 PNFKHLIWHSOKBY-UHFFFAOYSA-N 368.861 2.506 0 50 FFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ncc(F)cc3F)C2)nc1 192196469 HLKXRECFKDVWRG-LBPRGKRZSA-N 360.364 2.554 0 50 FFAA C[C@@](O)(CNC(=O)C(=O)c1ccc(Cl)s1)c1ccc(F)cc1F 760394037 NZDRRTNXTVSLQK-OAHLLOKOSA-N 359.781 2.886 0 50 FFAA Cc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1C1CCCC1 194226390 CJMIOQCPJTUKOM-UHFFFAOYSA-N 363.439 2.879 0 50 FFAA Cc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)nc2ccccc12 195376222 ILXCVHITIBAWGY-KRWDZBQOSA-N 355.463 2.681 0 50 FFAA Cc1c(NC(=O)CN(Cc2cccnc2)Cc2ccsc2)cnn1C 1506396336 RLIJXMBYFSIHEU-UHFFFAOYSA-N 355.467 2.826 0 50 FFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 1529161813 QUTNVOJCOBKVSS-WBVHZDCISA-N 372.387 2.956 0 50 FFAA Cc1ccc(C)c(OCCc2nnc(NC(=O)C3CCNCC3)s2)c1 1529107046 VTTAKDFGSOSXCO-UHFFFAOYSA-N 360.483 2.715 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc1F 1704339137 CKFKLODGBFUGQA-PZJWPPBQSA-N 373.424 2.715 0 50 FFAA CCOC(=O)C1=CS[C@H]2S/C(=C\c3cccc(OC)c3O)C(=O)N12 5672549 MGBFAEYVSBZLNU-FGLWMGOFSA-N 365.432 2.752 0 50 FFAA CC(C)c1cc(CNC(=O)c2cn(Cc3c(F)cccc3F)nn2)on1 11843016 JCCHEAOYBKCKQV-UHFFFAOYSA-N 361.352 2.646 0 50 FFAA O=C(NCC1(c2ccccc2)CCCC1)c1cn(C[C@@H]2CCCO2)nn1 11879445 JXPUUUZJKGARID-KRWDZBQOSA-N 354.454 2.699 0 50 FFAA c1ccc(CCNc2nc3nonc3nc2NCc2cccs2)nc1 11936887 SFCVVJRQIIATSD-UHFFFAOYSA-N 353.411 2.736 0 50 FFAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CCCN1C(C)=O 11938351 CQORRGJSSJYPGG-INIZCTEOSA-N 369.421 2.510 0 50 FFAA COCCN(Cc1ncc[nH]1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12316877 XUSFYIWAIRCKFB-GOSISDBHSA-N 368.525 2.738 0 50 FFAA O=C(C1CCOCC1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12438837 GBXVJAJEPLZCKY-NRFANRHFSA-N 374.456 2.593 0 50 FFAA COc1ccc(-c2noc(-c3ccc(N4CC[C@H](N(C)C)C4)nc3)n2)cc1 12706155 NKGXTNINYWZRND-INIZCTEOSA-N 365.437 2.948 0 50 FFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1 16626542 WUCARRQNCHDOLG-UHFFFAOYSA-N 364.511 2.806 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 237639537 KGLRZKDKZLXMLY-KRWDZBQOSA-N 351.830 2.711 0 50 FFAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC[C@@H](N)C1 150797847 QJRCFHHIEAUGDY-GHMZBOCLSA-N 358.269 2.908 0 50 FFAA CNC1CCN(C(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)CC1 262580810 ONVOKVSDWPGWTI-UHFFFAOYSA-N 367.478 2.820 0 50 FFAA Cc1ccc(C(=O)c2nccn2CC(=O)Nc2nn(C)c3ccccc23)cc1 20202215 XCGQMDDDAHKPCT-UHFFFAOYSA-N 373.416 2.948 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)c2csc3ccccc23)cc1 1055439 MXDZACRGTSECNO-UHFFFAOYSA-N 360.460 2.521 0 50 FFAA CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)cc1Cl 1110763 ZOLHJBHBZJTGLV-UHFFFAOYSA-N 365.282 2.772 0 50 FFAA O=C(c1ccco1)N1CCN(C(=S)NCc2ccc(Cl)cc2)CC1 2857005 ZCDFXDKKSYNWME-UHFFFAOYSA-N 363.870 2.766 0 50 FFAA CC/C=C\C[C@@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)O 43772460 OYPPJMLKAYYWHH-KACNFQQXSA-N 368.470 2.545 0 50 FFAA in-vitro O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 4814332 SSVVBRZZKMEYII-UHFFFAOYSA-N 368.433 2.957 0 50 FFAA CCc1nnc(SCC(=O)Nc2ccccc2Br)n1C 9328403 PWRROAWQPZILNF-UHFFFAOYSA-N 355.261 2.871 0 50 FFAA CCc1ccc(CN(CCOC)C(=O)[C@H]2CCCC[C@H]2C(=O)NC)cc1 55369675 SYMIZUCVKYTJHY-MOPGFXCFSA-N 360.498 2.776 0 50 FFAA COc1cc(-c2nc(CN(C)C[C@H]3CCCO3)c(C)o2)cc2c1OCO2 67909839 ODSMGRWEHNKYHS-CQSZACIVSA-N 360.410 2.998 0 50 FFAA CC(C)N1CCCn2nc(C(=O)N(C)C[C@@H]3Cc4ccccc4O3)cc2C1 65396030 AWJPPXWVXNDBSV-SFHVURJKSA-N 368.481 2.573 0 50 FFAA C[C@@H]1CCCN([C@H](C)CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 229767064 BXYZIONQJQONMS-GUDVDZBRSA-N 358.530 2.933 0 50 FFAA O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-n2cccc2)cc1 136475006 RJRVEJCKEMLHIN-GOSISDBHSA-N 351.450 2.998 0 50 FFAA OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1C1CCCC1 23373299 AGLKTDSHMAGHOC-NRFANRHFSA-N 354.498 2.684 0 50 FFAA Cc1n[nH]c([C@H]2CN(C(=O)c3csc(-c4ccccc4F)n3)CCO2)n1 173550215 BYTBLDBNPTWGLX-CQSZACIVSA-N 373.413 2.589 0 50 FFAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2oc(C)nc12 67641865 MRPJOCCQNVDYMY-AWEZNQCLSA-N 351.366 2.604 0 50 FFAA Cc1ccc(C2(O)CCN(c3ccc(-c4nc(C)no4)cn3)CC2)nc1 67946227 PEUJSCOSRXPDOQ-UHFFFAOYSA-N 351.410 2.631 0 50 FFAA Cn1cc(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 12707464 JOBZUJZKKIPKEC-GOSISDBHSA-N 360.889 2.787 0 50 FFAA O=C(c1cc[n+]([O-])cc1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 12385324 IRUFQLNVPIAJCA-OAQYLSRUSA-N 357.498 2.828 0 50 FFAA Cn1ncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-n1cccc1 30860159 KLILJJQUZFEECF-UHFFFAOYSA-N 369.856 2.827 0 50 FFAA COCCN1CCC[C@@]2(CCN(Cc3cccc4cccnc34)C2)C1=O 12430488 YEFOMEOTBRNJIW-NRFANRHFSA-N 353.466 2.696 0 50 FFAA Cc1nc(CCNC(=O)c2cc(-c3cccs3)n(C)n2)nc2c1CCC2 219354974 TXGSFNNREOYSEL-UHFFFAOYSA-N 367.478 2.708 0 50 FFAA CCc1cccc2c(CC(=O)N(CCC(=O)O)C3CCOCC3)c[nH]c12 236999422 IVBKFSUQMCOEEJ-UHFFFAOYSA-N 358.438 2.755 0 50 FFAA CCCN1CCCN(C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1=O 252510348 ZHXRFVRQGCLDDO-UHFFFAOYSA-N 373.432 2.796 0 50 FFAA NC(=O)c1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)nc1Cl 253431300 RBBZAOQZVIDFIZ-UHFFFAOYSA-N 362.792 2.826 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(CCC(C)(C)O)cc1 72480445 ZRVCCFWMNQIQNG-SFHVURJKSA-N 360.498 2.863 0 50 FFAA CC(C)[C@H]1CN(Cc2cnn(C)c2)CCC(=O)N1Cc1ccc(F)cc1 71757287 AYHAVNAHKJRKSS-LJQANCHMSA-N 358.461 2.818 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCCc3nc(COC)no3)c2c1 77506164 NYWVAJQOUDJDRV-UHFFFAOYSA-N 354.410 2.608 0 50 FFAA CC[C@H](C(=O)NC(C)(C)C)n1ncc(N(C)CCc2ccccc2)cc1=O 72132080 XMAMGWGOEKLXJQ-GOSISDBHSA-N 370.497 2.788 0 50 FFAA O=C(c1ccc(CO)cc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71551687 BPMHMXKOCDUAHD-YPAWHYETSA-N 362.473 2.881 0 50 FFAA COc1cc(OC)cc([C@@]2(F)CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)c1 368479400 SXUBKFZHMSKUPF-ZUOKHONESA-N 373.428 2.629 0 50 FFAA Cc1ncncc1C(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77341485 XPQKUDUITISICO-HXUWFJFHSA-N 358.486 2.676 0 50 FFAA C[C@H]1[C@H](C)CCN1C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 246977564 QGAMFACNNXCJMA-RVKKMQEKSA-N 359.470 2.535 0 50 FFAA O=C(N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc[nH]1 72161663 KPNDZALAPHYSNV-GFCCVEGCSA-N 351.328 2.564 0 50 FFAA COCCc1noc([C@@H]2CCCCN2Cc2cn(-c3ccccc3)nn2)n1 72132016 WVIUYSLRMWVSJB-KRWDZBQOSA-N 368.441 2.566 0 50 FFAA Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCSC(F)(F)F 47393658 SSOPWKGPZYRLNN-UHFFFAOYSA-N 356.391 2.773 0 50 FFAA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)NC2CCCCC2)C3)cn1 220095901 VYKCCUHBAMVSRE-UHFFFAOYSA-N 355.442 2.881 0 50 FFAA CNC(=O)Cc1ccc(NC(=O)N(CCCO)Cc2ccc(F)cc2)cc1 426436486 FKWAMYNTVATQNA-UHFFFAOYSA-N 373.428 2.531 0 50 FFAA O=C(NCc1nnc2ccccn12)c1ccc2nc(-c3ccccc3)cn2c1 82134203 FOQDXRQUIPEYHS-UHFFFAOYSA-N 368.400 2.974 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)CN1CCCO 82170731 YJRYKJUGOVCUDJ-LJQANCHMSA-N 350.890 2.927 0 50 FFAA CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225788675 VWFCAVRTTGYKGQ-SYQHCUMBSA-N 366.211 2.604 0 50 FFAA O=C([C@H]1CCc2ccccc21)N1CCN(CCOc2ccccc2)CC1 512037065 DVDPKRZQDHQAQT-NRFANRHFSA-N 350.462 2.940 0 50 FFAA C[S@@](=O)c1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1 148920092 NRHJPSAOZPSGEC-DEOSSOPVSA-N 360.826 2.695 0 50 FFAA CC(C)c1cc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)no1 95361525 PHCWBVXNJSQREK-HNNXBMFYSA-N 359.474 2.576 0 50 FFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95356390 JOQJTZMHGRYBJQ-QGZVFWFLSA-N 369.400 2.532 0 50 FFAA CC(C)(C)OC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C(=O)CO2 91692864 RLHOTFVDXKZZKW-UHFFFAOYSA-N 360.454 2.815 0 50 FFAA O=C(Nc1ccc(OCCc2ccccn2)cc1)N1CCC[C@@H](CO)C1 95529500 UOJCPFVPDNRDNN-MRXNPFEDSA-N 355.438 2.939 0 50 FFAA CC(C)c1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)ncn1 95358545 XWGLTQJRUKDSTM-DZGCQCFKSA-N 357.483 2.684 0 50 FFAA COc1cccn(CC(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1=O 95504400 FAVJIRFDZXCIIK-OAQYLSRUSA-N 354.450 2.683 0 50 FFAA O=C(C1CC1)N1CCC(C(=O)N2CCC[C@@H](COc3ccccc3)C2)CC1 95382981 RXTOQPVDYPTHLG-QGZVFWFLSA-N 370.493 2.953 0 50 FFAA CN(C)Cc1csc(CN2CCN(c3ccc(C(=O)O)cc3)CC2)c1 97594882 NAHCAXCCJUTNKY-UHFFFAOYSA-N 359.495 2.830 0 50 FFAA O=C(O)[C@H](c1ccc(Cl)c(F)c1)N1CCN(Cc2ccccn2)CC1 95383102 MLFWOEVTMLFYQT-KRWDZBQOSA-N 363.820 2.818 0 50 FFAA CCCO[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 91563300 QZDRUAIVSMTVPR-KRWDZBQOSA-N 373.497 2.628 0 50 FFAA COc1cc(F)c(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1OC 95358773 CGZQIMHAXXRVBL-GOEBONIOSA-N 362.445 2.676 0 50 FFAA CCCc1cc(N2CCC(N[C@H](C)c3ncnn3CC)CC2)nc(C)n1 96139138 PDQKOILWSMONCL-CQSZACIVSA-N 357.506 2.669 0 50 FFAA O=C(c1cccc(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2=O 91412354 DSRCILSOYKZOFP-MAUKXSAKSA-N 369.852 2.998 0 50 FFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c(O)c1 95374154 QSZJPFWSTNNKSX-GOSISDBHSA-N 364.445 2.979 0 50 FFAA Cc1cccc(-c2nc(CNC(=O)[C@H]3CC(=O)N(C)C3(C)C)cs2)c1 244707911 KJWNRQOGNRYYKT-OAHLLOKOSA-N 357.479 2.992 0 50 FFAA O=C1NCCN(C(=O)c2cccc3ncsc23)[C@@H]1c1cccc(F)c1 1940197653 GCUHCOIOALXJAJ-OAHLLOKOSA-N 355.394 2.749 0 50 FFAA CCc1cc(C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)cc(O)n1 299789520 YXGRUXMLPXBRCP-UHFFFAOYSA-N 357.454 2.893 0 50 FFAA CNc1ncc(CN(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)cn1 299793016 INYLVLYIDFNEDY-CQSZACIVSA-N 355.446 2.735 0 50 FFAA Cc1nc(SCC(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)n[nH]1 828051978 PTZLRUVJTFIJNJ-OAHLLOKOSA-N 360.464 2.987 0 50 FFAA COc1ccc(CC(=O)Nc2cc(C)ccc2NC(=O)CN(C)C)cc1 824661919 KNRUGCBNHQSETF-UHFFFAOYSA-N 355.438 2.685 0 50 FFAA COc1ccc([C@@H](C)NC(=O)N2CCC(c3n[nH]c(C)n3)CC2)cc1F 584889870 VAGBHMBEOYYPAH-LLVKDONJSA-N 361.421 2.911 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@@H]1C1CC1 1550373164 KSYDFWJGFVWHIR-MOPGFXCFSA-N 356.466 2.855 0 50 FFAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848471 NLOQNKDKLZXIPK-KGLIPLIRSA-N 352.442 2.548 0 50 FFAA Cn1cc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c2ccccc21 952890338 XZIHTXFFVXRJKY-ZWKOTPCHSA-N 356.422 2.663 0 50 FFAA COc1ccccc1[C@@H]1CC[C@@H](C)CN1c1ncnc2c1cnn2CCO 1875256941 GLQBPOMTRSBZTB-PBHICJAKSA-N 367.453 2.805 0 50 FFAA C=CC(=O)N[C@@H](CNC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 1875384563 SSOMJWPCSAAAHZ-HNNXBMFYSA-N 368.462 2.717 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@H]2CCc3ccc(OC(F)F)cc32)c(O)n1 1875313752 SPXUXAMATJGOKF-HNNXBMFYSA-N 363.364 2.747 0 50 FFAA C[C@@H]1CN(C(=O)[C@@H](Cc2ccsc2)NC=O)CC[C@H](c2ccccc2)O1 1875321722 SOMJXFFQMAWQNN-ATZDWAIDSA-N 372.490 2.784 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cccc(C(N)=O)c3F)cc2)c1C 1875357255 YNRPSTOBOPSHLU-UHFFFAOYSA-N 352.369 2.979 0 50 FFAA O=C(c1ccccc1)N1CC[C@@H](Cn2nnc(-c3c(F)cccc3F)n2)C1 886031711 OWOGTDPGFRYJJX-CYBMUJFWSA-N 369.375 2.781 0 50 FFAA O=C(c1ccc(O)nc1)N1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565526003 LVCXLOAGRHWJGP-QLVMHMETSA-N 366.417 2.898 0 50 FFAA O=C(Cc1c(F)cccc1Cl)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565516162 BITJNJQQZPJFLV-HOTGVXAUSA-N 364.804 2.769 0 50 FFAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nnc(C(C)C)n3c2)cnn1C 275545329 RCGYTMRBGVRPLI-YOEHRIQHSA-N 368.441 2.611 0 50 FFAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(N3CCNC3=O)ccc1F)O2 410784704 RNWXLCQWLAKKQF-GOSISDBHSA-N 369.396 2.996 0 50 FFAA Cc1nc(C2CC2)nc2sc(C(=O)N[C@H](C)CN3CCOC3=O)c(C)c12 170604560 DTSSYEUWLHSPNJ-SECBINFHSA-N 374.466 2.756 0 50 FFAA O=C(CN1CCOCC1)N1N=C(c2ccsc2)C[C@H]1c1cccc(F)c1 170619453 LTQAYPXDGINHKB-SFHVURJKSA-N 373.453 2.897 0 50 FFAA CCc1nc(C2CCN(C(=O)c3cc(NC(C)=O)ccc3C)CC2)n[nH]1 191598240 TVRSZMLEVRMYTD-UHFFFAOYSA-N 355.442 2.654 0 50 FFAA COc1ccnc(NC2CCN(Cc3c(C)nc4sc(C)cn34)CC2)n1 191688599 YARLWIPMAVSFFG-UHFFFAOYSA-N 372.498 2.888 0 50 FFAA CCOc1ccccc1C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529099958 JLLLLINVPUSWEF-UYAOXDASSA-N 366.461 2.983 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1c1ccc(C)o1 222534625 MDPVVIKVVVIMES-IRXDYDNUSA-N 358.463 2.811 0 50 FFAA O=C([C@@H]1CC12CC2)N1CCCN(Cc2cnc(-c3ccccc3)nc2)CC1 1775980547 ZFMYGXMHTJHDHM-IBGZPJMESA-N 362.477 2.978 0 50 FFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc(Cl)cc1 5388308 UJIMWNLZOLRGHA-UHFFFAOYSA-N 353.809 2.880 0 50 FFAA CN(c1ncccc1CNC(=O)CCN1CCCCO1)C1CCCCC1 11932912 SNRZELNOUVRSSN-UHFFFAOYSA-N 360.502 2.884 0 50 FFAA CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CCC(N)=O)C3)C2)cc1 12057257 MQDHMAMTXLEIED-QFIPXVFZSA-N 371.525 2.890 0 50 FFAA CCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 12138708 FGKMGEDOYDPXPZ-UHFFFAOYSA-N 354.406 2.810 0 50 FFAA CC1(C)C[C@@H](C(=O)NC[C@H]2Cc3cc(-c4cnccn4)ccc3O2)CCO1 12279148 RZHTXOMHYUYYEG-DOTOQJQBSA-N 367.449 2.769 0 50 FFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCC(C)C 14732751 BLSXTYVUHJJKRL-KRWDZBQOSA-N 367.534 2.822 0 50 FFAA O=C(c1cccs1)N1CCC(N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)CC1 223174310 VYDBZTMQIRMLDF-IDHHARJASA-N 371.506 2.850 0 50 FFAA O=C(NCc1nc2ncccc2o1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 1857683210 XUBHRVTYFJCSLC-NSHDSACASA-N 370.796 2.546 0 50 FFAA O=C(C1CCCC1)N1CCC[C@]2(C1)CN(c1ncccc1F)CC[C@H]2O 1857692863 XWEHOWIAKYMJGO-YLJYHZDGSA-N 361.461 2.591 0 50 FFAA O=C1O[C@H]2CN(Cc3cccc4cnccc34)C[C@H]2N1CCc1ccccn1 207764049 NHLZVCJCWBZWMX-RTWAWAEBSA-N 374.444 2.878 0 50 FFAA Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CCNCC2 328651868 WCLSPODVZWJWSN-OTWHNJEPSA-N 364.493 2.695 0 50 FFAA Cc1ccccc1-n1cc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cn1 248134537 YSWLEPHLAFOGJQ-VXKWHMMOSA-N 368.525 2.992 0 50 FFAA Cc1cc2ncc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)O)c(C)n2n1 262544430 VPRSZWIAUXAALY-SJKOYZFVSA-N 352.394 2.538 0 50 FFAA CC(=O)NC[C@]12CCC[C@H]1CCN2C(=O)c1ccc(-c2ccccn2)o1 2325849370 NCZGSWUNGJAYBT-MGPUTAFESA-N 353.422 2.863 0 50 FFAA COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)[C@@H](O)C(C)(C)O)c1 907324697 TVUSDSOUUNOFAX-XUVXKRRUSA-N 369.461 2.884 0 50 FFAA CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cc1 113303384 WDANKXHHYVDEBL-SFHVURJKSA-N 372.490 2.750 0 50 FFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCCCCC2)cc1 1109856 QCQGIWNMODLIRX-UHFFFAOYSA-N 366.527 2.956 0 50 FFAA CCc1ccc(N(CC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1 1127944 HPUUDIJOPWTFAW-UHFFFAOYSA-N 362.451 2.662 0 50 FFAA CCOc1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 1144239 GNTRGSOZRHIOET-CQSZACIVSA-N 362.451 2.879 0 50 FFAA NC(=O)C1CCN(CC(=O)N2c3ccccc3CCc3ccccc32)CC1 2209904 RIOFJLPUMJEBPH-UHFFFAOYSA-N 363.461 2.647 0 50 FFAA O=C1NC[C@H]2CN(Cc3ccc(OCCCCN4CCCCC4)cc3)C[C@@H]12 2356140261 BFANDIMGUVIWPW-PZJWPPBQSA-N 371.525 2.509 0 50 FFAA O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 2467672 WRFBSLYECTVFRP-CYBMUJFWSA-N 356.513 2.598 0 50 FFAA COc1cc(OC)c(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1Cl 2878987 SXSSOHFFWKDGGU-UHFFFAOYSA-N 374.780 2.592 0 50 FFAA Cc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)c(C)c1 2986895 RHHFPWYQTJELOQ-UHFFFAOYSA-N 354.516 2.866 0 50 FFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)c(OC)c2)C1 4990300 RQHJEUFWGDBUAB-INIZCTEOSA-N 364.486 2.793 0 50 FFAA COc1ccccc1-c1noc(CCC(=O)N(C)[C@@H](C)c2ccon2)n1 55183040 ARCFOEBLSUPOKU-LBPRGKRZSA-N 356.382 2.885 0 50 FFAA COCCN1CCN(Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 20535190 PWDMAGVARNVCPN-UHFFFAOYSA-N 363.433 2.562 0 50 FFAA Cc1ccc(CN2CCN(C(=O)CCc3cccnc3)[C@@H](C)C2=O)cc1 55099601 PKINJPFVKHBMAC-KRWDZBQOSA-N 351.450 2.582 0 50 FFAA CCOc1ccnc(N2CCCN(C(=O)c3ccc(F)cc3C)CC2)n1 119680228 LWFWRMLIAWOHLB-UHFFFAOYSA-N 358.417 2.675 0 50 FFAA CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 247972119 ASSUJUQFBZLTHO-AKCHCHLHSA-N 357.454 2.539 0 50 FFAA Cn1nccc1CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13330947 JZNWGVKEHZGPKO-UHFFFAOYSA-N 354.646 2.859 0 50 FFAA CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](c2ccccc2)C1 248754675 ISXMMOQTTRQRPH-MJUUVYJYSA-N 355.526 2.918 0 50 FFAA CCN(Cc1noc(C)n1)[C@@H]1CCCN(C(=O)CCc2ccco2)CC1 328628896 HSUGJLIMLKFXQK-MRXNPFEDSA-N 360.458 2.807 0 50 FFAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCC(OC2CCCC2)CC1 135442726 ZBSQXDQQPOFKSX-UHFFFAOYSA-N 354.454 2.895 0 50 FFAA COc1ccc(Cn2ccc(NC(=O)N3CC(C)(C)OC(C)(C)C3)n2)cc1 331644805 JXOLSBNKTBHZRK-UHFFFAOYSA-N 372.469 3.361 0 50 FFAA COc1ccc(Oc2ccc(C(=O)N[C@H]3C=CS(=O)(=O)C3)cc2)cc1 63882624 AYOCJBRSCDXFMM-AWEZNQCLSA-N 359.403 2.528 0 50 FFAA COC[C@@H]1CCCN(C(=O)c2ccc(NCc3cccc(C)n3)nc2)C1 20419202 WSOSWOIJXLJQAF-MRXNPFEDSA-N 354.454 2.896 0 50 FFAA CC(C)c1cc(CN(C)C(=O)CCc2nc3ccccc3[nH]c2=O)on1 65381596 VQDYGTGAPUDQOM-UHFFFAOYSA-N 354.410 2.626 0 50 FFAA O=C(O)CN(C(=O)/C=C/c1csc(Br)c1)C1CCOCC1 238106928 URAVCTUEYTYRFV-OWOJBTEDSA-N 374.256 2.616 0 50 FFAA CCc1nc(C)ccc1OCC(=O)N1CCO[C@H](Cc2ccccc2)C1 71746346 YNAJQXMHJDYAGB-GOSISDBHSA-N 354.450 2.801 0 50 FFAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 72463236 KQNZQHZSNXYZNY-IBGZPJMESA-N 372.509 2.865 0 50 FFAA COc1cccc2c1OCC(CN1CCC[C@@H](C(=O)c3nccn3C)C1)=C2 77354487 BKKGGJHBEYTOOA-QGZVFWFLSA-N 367.449 2.799 0 50 FFAA COCc1nc(N(C)Cc2c(C)nn(C(C)C)c2C)c2cnn(C)c2n1 72149521 BIOVEBIJTGYYIY-UHFFFAOYSA-N 357.462 2.540 0 50 FFAA CCn1nc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1C 72129237 DDUKIAJIVPOVHX-LJQANCHMSA-N 352.482 2.527 0 50 FFAA O=C(c1cn2ccsc2n1)N1CCN(C/C=C/c2ccccc2)CC1 72150905 YUQBNBGQPHHDOV-QPJJXVBHSA-N 352.463 2.867 0 50 FFAA Cc1ccc2nc(SCCC(=O)N3CCOC[C@@H](O)C3)cc(C)c2c1 77342169 QBGLFURLJTVCRF-HNNXBMFYSA-N 360.479 2.554 0 50 FFAA COc1cc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)ccc1F 39500608 ZFJQHMDQSTTZKB-QGZVFWFLSA-N 364.486 2.965 0 50 FFAA CCCO[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2cnn3C)C1 72171117 JLCOLEWLFQFCIP-OAHLLOKOSA-N 352.442 2.821 0 50 FFAA CCCn1ncc(C(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c1C1CC1 155423129 GETOSHZAKGFANI-INIZCTEOSA-N 370.501 2.931 0 50 FFAA O[C@H](CN1CCC(Oc2cnccn2)CC1)c1ccc(F)cc1Cl 373280093 VWLRCZISQHDTQI-MRXNPFEDSA-N 351.809 2.846 0 50 FFAA Cc1ccc([C@@H]2CN(CC(=O)NCc3ccccc3)C[C@H]2N(C)C)cc1 77490040 KXXXATYPIORBLQ-LEWJYISDSA-N 351.494 2.641 0 50 FFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCCN(C2CCCC2)CC1 77355589 FTKUGCUCEFMOGJ-UHFFFAOYSA-N 357.498 2.614 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2=O)c1 77439817 JSAMOGKUWLDGBF-UHFFFAOYSA-N 374.444 2.978 0 50 FFAA Cc1cccc(CN2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)c1 72430946 ASWFNVFRHZEDPL-UHFFFAOYSA-N 366.387 2.705 0 50 FFAA CC[C@@H]1CN(C(=O)Cc2cccc(O)c2)CCC(=O)N1Cc1ccccc1 71661246 VGVZNNBMVFDICG-LJQANCHMSA-N 366.461 2.974 0 50 FFAA Cc1ncnc(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)c1C 222993303 RRGNAMYGOWDFNV-UHFFFAOYSA-N 365.481 2.656 0 50 FFAA COCCC1(CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CCC1 177630629 OZQIAONIMJMPPG-UHFFFAOYSA-N 369.469 2.677 0 50 FFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccccc3N(C)C)CC2=O)cc1 82160380 JJQDRIQFAMITBJ-MRXNPFEDSA-N 351.450 2.939 0 50 FFAA CC(C)c1nccn1CCCNC(=O)c1ccccc1N1CCOCC1 221356491 RRUYQCRLJHCTSG-UHFFFAOYSA-N 356.470 2.663 0 50 FFAA Cc1[nH]c2c(c1C(=O)NCCn1nc(C(F)(F)F)cc1C)C(=O)CCC2 222937151 LDTURGRXLUYSNE-UHFFFAOYSA-N 368.359 2.796 0 50 FFAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccc(-c2ccncc2)cc1 426399132 ZVTIYRXWZMJIBI-HXUWFJFHSA-N 353.466 2.715 0 50 FFAA Cc1cc(CN(C)[C@H](C(=O)O)c2ccc(NC(=O)N3CCCC3)cc2)on1 95384270 ZJARFEGWNVPPCX-KRWDZBQOSA-N 372.425 2.868 0 50 FFAA COc1ccc(CCCNC(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1 426534421 HIHLSWUZTSHTJI-GOSISDBHSA-N 356.470 2.946 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cc(-c2cccn2C)n[nH]1 91725931 HDMCEEOUHBCMRA-UHFFFAOYSA-N 352.423 2.692 0 50 FFAA Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(Cl)cc1Br 230513812 SYNIUTDWLWSRSY-VIFPVBQESA-N 368.680 2.868 0 50 FFAA COCC(=O)Nc1ccc(C)c(NC(=O)N(C)CCc2ccccn2)c1 96131704 ZEDLSCQGJVMVPX-UHFFFAOYSA-N 356.426 2.681 0 50 FFAA O=C(c1csc2c1CCCC2)N1CCC[C@H](c2ccn(CCO)n2)C1 426530454 OATRESMQKFLONC-AWEZNQCLSA-N 359.495 2.836 0 50 FFAA Cc1nn(CCCNC(=O)Nc2cccc3nn(C)nc23)c(C)c1Cl 97463591 SKQVHCAZCIZIFY-UHFFFAOYSA-N 361.837 2.647 0 50 FFAA Cc1cc(N2CCC(N[C@@H]3CCOC3)CC2)nc(-c2ccccc2O)n1 95526917 QOOXZTVJUXPNNU-MRXNPFEDSA-N 354.454 2.505 0 50 FFAA O=C(C1CCS(=O)(=O)CC1)N1CCCC[C@H]1CCc1cccs1 91859747 AYQUSUZTUMOFLI-HNNXBMFYSA-N 355.525 2.887 0 50 FFAA O=C(C1CC1)N1CCC(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)CC1 91586868 LEJTUIGQQUBYIW-HXUWFJFHSA-N 370.493 2.843 0 50 FFAA O=C(COc1ccc(F)cc1F)NC[C@H](O)COc1ccc(Cl)cc1 92065313 BMJNXGMZZAPRPV-ZDUSSCGKSA-N 371.767 2.553 0 50 FFAA O=C(CC1Cc2ccccc2C1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 244882614 XVBRTSKSMSEZHI-HLAWJBBLSA-N 350.462 2.685 0 50 FFAA CC[C@H](Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1)C(=O)O 184902506 QWQYPWCEDYVGJX-CYBMUJFWSA-N 352.412 2.746 0 50 FFAA O=C(NCC1CCNCC1)c1ccc(-c2nnc(O)c3ccccc23)cc1 534649887 YDVOEQUQHQTIBK-UHFFFAOYSA-N 362.433 2.732 0 50 FFAA CSCC[C@H](C(=O)N1CCN(Cc2cccnc2)CC1)n1cccc1 263588323 RVMFDXTXLADASY-GOSISDBHSA-N 358.511 2.522 0 50 FFAA CN1CCC(CNC(=O)c2cc(C(F)(F)F)n[nH]2)(c2ccccc2)CC1 299759298 FSWXOMRIVZQKGV-UHFFFAOYSA-N 366.387 2.822 0 50 FFAA O=C(NCc1cnc2c(c1)CCC2)N(Cc1ccccn1)C[C@@H]1CCCO1 584889237 RBXQMVMAMZTFLO-IBGZPJMESA-N 366.465 2.856 0 50 FFAA CC[C@H](NC(=O)NCC1(c2ccccc2)CCN(C)CC1)c1ncccn1 1875295749 PNSCBGVALGQLIV-SFHVURJKSA-N 367.497 2.891 0 50 FFAA OCC[C@@H]1CCCCN1c1ccc(CN=c2nc3sccc3c[nH]2)cn1 1875273143 BHOCVQHOKNHHIG-INIZCTEOSA-N 369.494 2.862 0 50 FFAA Cc1ccc2ncc(C(=O)N3CCN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]3C)cc2c1 1875344309 BRNGCIPXIYIVBQ-MPGHIAIKSA-N 351.450 2.872 0 50 FFAA O=C(c1ccsc1Cl)N1C[C@H]2CC[C@H]1CN2CCn1cccn1 1875408259 RSLOEISPIUPTIH-OLZOCXBDSA-N 350.875 2.587 0 50 FFAA CCC[C@@H](NC(=O)[C@H]1CCOC1)c1ncc(-c2ccc3c(c2)OCO3)[nH]1 888093303 SDLKNNIUWKTUTL-UONOGXRCSA-N 357.410 2.799 0 50 FFAA CN(C)[C@H](CNC(=O)C[C@@H]1CCC2(CCOCC2)CO1)c1cccs1 895463713 BCSVIWAINUXGAU-JKSUJKDBSA-N 366.527 2.833 0 50 FFAA COC(=O)c1ccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nc1OC 281605589 YRUOVHLHLGHYJS-INIZCTEOSA-N 370.453 2.831 0 50 FFAA CC(C)N1C(=O)CO[C@H](C(=O)NCCc2cccs2)[C@H]1c1ccccc1 1529192550 XKYQOJABFTVKNB-MOPGFXCFSA-N 372.490 2.784 0 50 FFAA Cc1cccc(CN2CCC[C@]3(CCN(C(=O)CCN4CCCO4)C3)C2)c1 11717884 PGJKTKIKHRPULW-QFIPXVFZSA-N 371.525 2.837 0 50 FFAA c1nc(N2CCC(n3cc(-c4ccsc4)nn3)CC2)c2nc[nH]c2n1 19744177 ONGINODBPFCWEK-UHFFFAOYSA-N 352.427 2.514 0 50 FFAA CC(C)c1cc(C(=O)N2CCC(=O)N(Cc3cccc(F)c3)CC2)[nH]n1 19852864 YWVHGOCOHLVQRL-UHFFFAOYSA-N 358.417 2.547 0 50 FFAA CC[C@@]1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)C[C@@H]2CC[C@H]1N2 1857679919 AOPJPMFVWCMZEG-JNAXZKDPSA-N 370.522 2.866 0 50 FFAA Cc1ccc2nc(N3C[C@H](C(=O)NCCc4ccco4)CC3=O)sc2c1 1857700011 IQXJLJUAQJFOJT-CYBMUJFWSA-N 369.446 2.910 0 50 FFAA Cc1nnc(N2C[C@H](C(=O)NCc3oc4ccccc4c3C)CC2=O)s1 1857725316 PVUMMZCJLQXYID-GFCCVEGCSA-N 370.434 2.570 0 50 FFAA Cn1cc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)c(C2CCCCC2)n1 333239954 DPJXKCMPYJKCBZ-IEBWSBKVSA-N 374.529 2.826 0 50 FFAA COCCN(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cn1 252489391 JPZNJMOMFFDOSK-HNNXBMFYSA-N 357.454 2.786 0 50 FFAA COc1ccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c(C)c1 1704329683 AOWATNOBWKYIBB-IFMALSPDSA-N 369.461 2.884 0 50 FFAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)c2cccc(C(C)C)n2)CC1 909821782 XDVPBDSJYMJWQY-UHFFFAOYSA-N 356.426 2.885 0 50 FFAA CC1(C)CC(C(=O)N2CCC(n3nnc(C(=O)O)c3C(F)F)CC2)C1 910292223 IHWMNOCJRRZUNB-UHFFFAOYSA-N 356.373 2.514 0 50 FFAA O=C(C=C(C1CC1)C1CC1)N1CCC[C@](O)(Cc2nc(C3CC3)no2)C1 818493745 KNABKQUBHZRAEA-FQEVSTJZSA-N 357.454 2.589 0 50 FFAA CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc1 4113538 YKCXIYQSIPDJOZ-QGZVFWFLSA-N 362.426 2.681 0 50 FFAA COC[C@H](OC(=O)c1cc(Br)c2occc2c1)C(=O)OC 2325779469 HDNMNITXZLMHGL-NSHDSACASA-N 357.156 2.540 0 50 FFAA O=C(NC1CC2(CCC(CO)CC2)C1)[C@@H]1NCC2(CC2)c2ccccc21 2325790968 BDZLNYHKCPOYDV-POVUMGOVSA-N 354.494 2.810 0 50 FFAA Cc1cc(C)c(CC(=O)NC2(CNC(=O)[C@H](C)OCC3CC3)CC2)c(C)c1 2325794331 YVSPPIAZKQDELU-KRWDZBQOSA-N 372.509 2.734 0 50 FFAA CCOC(=O)c1nc(=NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cc(C(C)(C)C)[nH]1 2325807189 GZLUJMXEWJBTAK-OAPRPUCWSA-N 373.497 2.724 0 50 FFAA Cn1ccc(Nc2ccc(C(=O)NC[C@H]3Cc4ccccc4CN3)cc2)n1 2325859936 QGYKKIOXMDUUKC-LJQANCHMSA-N 361.449 2.608 0 50 FFAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCOc2c1ccc(Cl)c2Cl 2325884666 FWMWXQNDULZQJA-LBPRGKRZSA-N 357.237 2.968 0 50 FFAA C[C@H](NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H]1COc2ccccc2C1 903048317 MAQBXLHXWRHTMB-BULFRSBZSA-N 366.505 2.983 0 50 FFAA CCOc1ccccc1C(=O)NCCNC(=O)c1ccccc1OCC 2114646 RBWCUBFRWWPRMW-UHFFFAOYSA-N 356.422 2.644 0 50 FFAA CC(C)N1CCC[C@@]2(CCCN2Cc2cn(-c3ccccc3)nn2)C1=O 2356138265 KKYPDYDPMFHUBI-FQEVSTJZSA-N 353.470 2.633 0 50 FFAA CCn1ncc(Br)c1C(=O)Nc1ccccc1C(=O)OC 2759228 UPAAJMBCKSEKSH-UHFFFAOYSA-N 352.188 2.704 0 50 FFAA O=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2Br)C1 4237861 ZWBOTACRPPHVCJ-ZCFIWIBFSA-N 363.005 2.649 0 50 FFAA CCOC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCOCC1 4705139 PSPCNLPXHPEGDK-UHFFFAOYSA-N 354.406 2.952 0 50 FFAA C[C@H](NC(=O)Cc1ccccc1S(=O)(=O)C(F)F)c1ccns1 863615384 PYGPDBASMOEOSJ-VIFPVBQESA-N 360.407 2.559 0 50 FFAA Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)n1 20598584 SWLZNCDPKXMCRZ-HNNXBMFYSA-N 364.405 2.790 0 50 FFAA CCOC(=O)c1cn(C[C@H](C)n2cncn2)cc(Oc2ccccc2)c1=O 55269536 GCTUANNBLQZNNO-AWEZNQCLSA-N 368.393 2.670 0 50 FFAA CCN(C(=O)c1sc(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 65406581 AHRVWIQVUFNIDG-CQSZACIVSA-N 364.492 2.768 0 50 FFAA CN1CCc2nc(NC(=O)c3cccc(Oc4cnccn4)c3)sc2C1 135397715 MCIDZOHVTMAFGG-UHFFFAOYSA-N 367.434 2.966 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@H]2N1CCCCO 72407701 IBWOTZGFMOIVCM-AZUAARDMSA-N 355.482 2.753 0 50 FFAA CCN1CCN(Cc2cc(C(=O)N(CC(C)C)CC(C)C)no2)CC1 67691231 HQQZLRJRZDZQLU-UHFFFAOYSA-N 350.507 2.566 0 50 FFAA O=C1C[C@@H](c2ccc3c(c2)OC(F)(F)O3)c2c(nc3ccccn23)CN1 65381294 NTQKDRNASXXALA-NSHDSACASA-N 357.316 2.808 0 50 FFAA O=C(c1ccc(Br)cc1)N1N=C(C(F)F)C[C@]1(O)C(F)F 4178832 HCOIFXIFHZTNHV-LBPRGKRZSA-N 369.112 2.870 0 50 FFAA COc1cc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)ccc1O 39509887 DAZZODRFLAAHLX-LJQANCHMSA-N 374.456 2.609 0 50 FFAA CCc1nnc(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)s1 72436655 PKKZEXLNTYXILG-IBGZPJMESA-N 371.510 2.905 0 50 FFAA O=C(Nc1cccnc1)c1ccc(NC(=O)[C@@H]2CC23CCNCC3)cc1 237957809 LQSYXMNTULMDLX-KRWDZBQOSA-N 350.422 2.662 0 50 FFAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 238019716 HUGGUINYSXVEFB-GOEBONIOSA-N 361.344 2.848 0 50 FFAA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)/C=C/c1ccccc1Br 253423052 DVCDIMONUYYBML-QJXJPNQISA-N 370.287 2.737 0 50 FFAA Cc1c(Cl)c(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)nn1C 72469201 BUJZOFVDVAUBAD-UHFFFAOYSA-N 361.877 2.514 0 50 FFAA CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@]2(CCOC2)C1 153526257 NDKJXWDQLKBOKT-HXUWFJFHSA-N 355.438 2.914 0 50 FFAA CN(Cc1cnc2[nH]ccnc1-2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 365618219 GWUHTOMRLREPGV-ZDUSSCGKSA-N 362.842 2.523 0 50 FFAA COC(=O)c1ccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)cc1 39421250 XSFIAEXUIWYQJI-LJQANCHMSA-N 374.506 2.604 0 50 FFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1[nH]nc(N)c1-c1ccccc1 216198275 FJOQUNVQRRRXLQ-UHFFFAOYSA-N 364.453 2.923 0 50 FFAA CCCOC[C@H]1CCN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 72157827 XVQHJLZLABBUPI-AWEZNQCLSA-N 352.442 2.678 0 50 FFAA O=C(CCc1cc2n(n1)CCCNC2)NCc1ccc2sccc2c1 72417809 OHVGKJSEJQHWMZ-UHFFFAOYSA-N 354.479 2.840 0 50 FFAA CC(C)c1nc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)no1 72432759 NGADGOKESPZKDF-FQEVSTJZSA-N 369.469 2.997 0 50 FFAA COc1cc(C)c(CN2CCCn3nc(CCC(=O)O)cc3C2)cc1C 72436675 NUMTYGTUTCDYDX-UHFFFAOYSA-N 357.454 2.932 0 50 FFAA Cc1ccccc1OC1CCN(C(=O)[C@H]2CCCN2C2CCNCC2)CC1 85533004 HAQBFGMCXKIDBK-HXUWFJFHSA-N 371.525 2.581 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)CCc2ccc3c(c2)OCO3)CC1 82114590 GDHBGXVAHJYRQQ-UHFFFAOYSA-N 367.449 2.790 0 50 FFAA Cc1c(S(=O)(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)cnn1C 292504914 GGZPTMHMAFYSRD-GFCCVEGCSA-N 359.373 2.973 0 50 FFAA CCCc1cc(CN(C)C(=O)c2cnc(N3CCCCC3)nc2C)n[nH]1 426465124 HPKDOTPAPTUEFE-UHFFFAOYSA-N 356.474 2.723 0 50 FFAA Cc1cc(=O)cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)o1 220234582 NNNTXMBMSNDWPF-GAGFWEIESA-N 364.401 2.738 0 50 FFAA CCn1c(C)nnc1SCCNC(=O)c1cc2ccc(OC)cc2n1C 97547459 ASOMRJCSELJODF-UHFFFAOYSA-N 373.482 2.629 0 50 FFAA CC(C)N1CCN(C(=O)NCCN2CCC(c3ccccc3)CC2)CC1 426526305 UTZGYRUESKPHSO-UHFFFAOYSA-N 358.530 2.602 0 50 FFAA CCc1ccc(-n2cnnc2)cc1NC(=O)N(C)Cc1nncn1C(C)C 96164552 KJXPSQMYTRKAEM-UHFFFAOYSA-N 368.445 2.666 0 50 FFAA CN(CCSc1ccccc1)C(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 95502581 DPOFAGUHKWHFBU-QGZVFWFLSA-N 369.490 2.681 0 50 FFAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)c2cc(O)n[nH]2)C1 91435228 JFHLUDCYOUYIOJ-HNNXBMFYSA-N 369.400 2.884 0 50 FFAA COc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cn1 96132551 KIXNRZDNIPMVFS-VMPITWQZSA-N 352.438 2.953 0 50 FFAA CCc1n[nH]c2c1CN(Cc1c(-c3cc(C)on3)nn(C)c1Cl)CC2 97823349 IKXQZAHQSJFFDS-UHFFFAOYSA-N 360.849 2.881 0 50 FFAA COc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)cc(OC)c1 95374013 COZGILFJICKTIB-ZWKOTPCHSA-N 358.482 2.927 0 50 FFAA CCn1nc(COc2ccccc2)nc1Cc1ccc(S(C)(=O)=O)cc1 96163857 LHGSLCLFIVTPPK-UHFFFAOYSA-N 371.462 2.871 0 50 FFAA NCCO[C@H]1C[C@@H](O)C12CCN(Cc1nc(-c3ccccc3)cs1)CC2 91745571 GFFMATBDCAPTPA-MSOLQXFVSA-N 373.522 2.501 0 50 FFAA Cc1nn(CCC(=O)N2CCC[C@@H](OCc3cccnc3)C2)c(C)c1C 91288709 GYMKNRKHONRVQS-LJQANCHMSA-N 356.470 2.801 0 50 FFAA CCc1cnc(C)nc1N1CCC(N2CC(n3nc(C)cc3C)C2)CC1 96151976 BHRIJHJBTSUNDO-UHFFFAOYSA-N 354.502 2.686 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)c1cnc(-c2cccnc2)nc1 95392475 JAQYGEMWQKDUBO-UHFFFAOYSA-N 362.418 2.816 0 50 FFAA O=C(NCCNC(=O)[C@@H]1CCOc2ccccc2C1)c1ccccc1Cl 95512165 MZGZXAXRKGJMRH-OAHLLOKOSA-N 372.852 2.827 0 50 FFAA COc1ccc(Cl)cc1CS(=O)(=O)Cc1nnc(C2CCC2)n1C 181240692 XZWSFCJJWRCDFG-UHFFFAOYSA-N 369.874 2.860 0 50 FFAA Cc1cccn2c(CC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3)cnc12 97805588 BRUADXGQFDSUET-IBGZPJMESA-N 362.477 2.918 0 50 FFAA NC(=O)c1ccc(OCCCN2CCO[C@H](c3ccc(F)cc3)C2)cc1 252481382 CKIAZJKSZJUZGG-IBGZPJMESA-N 358.413 2.767 0 50 FFAA C[C@@H](O)[C@H]1CCN(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 184756777 FUIRSEORAMWLNQ-ZBFHGGJFSA-N 365.905 2.717 0 50 FFAA Cc1ccc(SCCNC(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cc1 534635271 WUJPOGTWSJEPDH-SFHVURJKSA-N 363.483 2.761 0 50 FFAA CC1=CCN(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2Cl)CC1 299794868 JBIRAQDGHQSFKP-UHFFFAOYSA-N 363.845 2.996 0 50 FFAA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)c1cccc(-n2cnnc2)c1 299766722 GXRAWQPDKQUHBH-INIZCTEOSA-N 353.470 2.652 0 50 FFAA Cc1ccc2c(c1)N(CC(=O)N[C@H](C)c1nc(C)sc1C)C(=O)CO2 299762955 FDSMVZPKKRLGPK-LLVKDONJSA-N 359.451 2.671 0 50 FFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2ccc3cccnc3c2)CC1 299786148 MWYABJYTNAUUQO-SFHVURJKSA-N 365.437 2.946 0 50 FFAA O=C(NCCN1CCC[C@@H](CO)C1)Nc1ccc(Oc2cccnc2)cc1 299790721 VLZIDZUZMJUQIY-MRXNPFEDSA-N 370.453 2.700 0 50 FFAA Cc1c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cnc2ccnn12 823764839 KKSOBXCKGGJALO-UHFFFAOYSA-N 365.437 2.763 0 50 FFAA CCCc1ccc(OCCNS(=O)(=O)c2ccc3nc[nH]c3c2)cc1 670439939 DUWCNAYJSCCQLB-UHFFFAOYSA-N 359.451 2.873 0 50 FFAA COc1ccc2c(c1)nc(CNC(=O)N[C@H]1CCOc3ccccc31)n2C 185559373 CLBMSFJVVJNZLC-HNNXBMFYSA-N 366.421 2.905 0 50 FFAA C[C@H]1CN(c2ccc(C(=O)Nc3ccc([C@H](C)N)cc3)cn2)C[C@H](C)O1 1875276712 SFUSIBFSPSVRDE-KKUMJFAQSA-N 354.454 2.967 0 50 FFAA Cc1ccsc1CN(CCO)C(=O)[C@H](c1cccnc1)N1CCCC1 952861716 IYWLPVWDZOYBBX-SFHVURJKSA-N 359.495 2.610 0 50 FFAA O=C(CCc1cc(Cl)no1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 1565527724 GPTZQAWVRJNCKU-HOTGVXAUSA-N 364.829 2.751 0 50 FFAA CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1 272531662 QVNFDPXIFREYBB-MJGOQNOKSA-N 359.514 2.566 0 50 FFAA C[C@H](Cn1cc(Br)cn1)N[C@H]1CCCO[C@@H]1c1ccncc1 275365949 BNLRXLJETNPUCT-UHOFOFEASA-N 365.275 2.939 0 50 FFAA COc1ccc2c(c1)[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)CC2 277537800 YCOBTZNKKOVUFW-MAUKXSAKSA-N 371.458 2.760 0 50 FFAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cccc(OC(C)C)n3)n2)c1 225644144 UYQVDNDFHVTKBM-ZDUSSCGKSA-N 366.425 2.848 0 50 FFAA Cc1ccccc1COc1ccccc1C(=O)N[C@H]1CCC(=O)N[C@H]1C 282143228 PABKBXXYIXFAGT-YJBOKZPZSA-N 352.434 2.971 0 50 FFAA CS(=O)(=O)CC1(CNc2nn3cc(-c4ccccc4)nc3s2)CC1 751967341 JDCWCSYYTGEYFT-UHFFFAOYSA-N 362.480 2.695 0 50 FFAA COc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cn1 194820000 FHVRNJZFLZVJJD-SNVBAGLBSA-N 354.815 2.720 0 50 FFAA CN1CCC(n2nccc2NC(=O)Cn2ccnc2-c2ccccc2)CC1 1506400985 HLZRLEHMKZYDJP-UHFFFAOYSA-N 364.453 2.652 0 50 FFAA Nc1nc(CCC(=O)N2CCC([C@H](O)c3cccs3)CC2)cs1 1506410352 FKVPRZALGLEMPU-HNNXBMFYSA-N 351.497 2.692 0 50 FFAA O=C(COc1ccc2ccccc2c1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529126002 KASPSAKSCMCZHV-TZIWHRDSSA-N 366.461 2.540 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772701622 LQJAGTMNLJLAJX-ABAIWWIYSA-N 358.316 2.660 0 50 FFAA CC(C)N(Cc1nccn1C)C(=O)c1cn(Cc2cccc(Cl)c2)nn1 11663930 NICXAYHCNRPKKO-UHFFFAOYSA-N 372.860 2.764 0 50 FFAA CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O 13711061 FQKCOUCZVNOFEX-KRWDZBQOSA-N 362.451 2.879 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCCC[C@@H]2C)c1=O 15001639 MWYPTUZVTZWLCL-HNNXBMFYSA-N 361.486 2.830 0 50 FFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCC(C)CC2)c1=O 15067565 DGUHHVIAFKLJGD-UHFFFAOYSA-N 361.486 2.687 0 50 FFAA C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 15543421 CNGJUFDRSIEHPI-LLVKDONJSA-N 352.843 2.821 0 50 FFAA CSc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCCC1 16652020 VYCQXDFBOCTAJJ-UHFFFAOYSA-N 356.513 2.675 0 50 FFAA Cc1nc(-c2cn([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)nn2)no1 169777858 JGZCFJWYVBKWTN-AWEZNQCLSA-N 372.816 2.767 0 50 FFAA CC[C@@]1(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CC[C@H]1N2 1857676642 VYSBVJRKANYLSO-XKCSPQBFSA-N 367.537 2.609 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2[C@H]3CN(c4nccs4)C[C@]34CC[C@H]2O4)cc1 1857724702 NTDALTYSKZBOEA-TVKQPGBESA-N 369.490 2.865 0 50 FFAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4cc5ccccc5o4)[C@@H]2CC(=O)N13 1857731120 ADZKMAPGJDURAW-NQYLQCIDSA-N 354.406 2.631 0 50 FFAA COc1cccc(-c2cnc(NC(=O)C[C@H]3NC(=O)c4ccccc43)[nH]2)c1 1875244963 CZBKVWJKYRTDBF-MRXNPFEDSA-N 362.389 2.899 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc([C@H]3C[C@H]3C)o2)CC(=O)N1C 328637976 WEQPHRHWXVVQIE-YGINRNJJSA-N 356.470 2.815 0 50 FFAA CN(Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)CC1CCC1)CC2 328749348 QBCWRBUOYYBIKZ-OAHLLOKOSA-N 369.556 2.559 0 50 FFAA Cc1noc([C@@H]2CCN(c3ccc(C(=O)N4CCC(C)CC4)cn3)C2)n1 333691055 MOBXCCKIZYTPHF-MRXNPFEDSA-N 355.442 2.639 0 50 FFAA C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC[C@@H](C(=O)O)C1 237485545 BHYUUTHVFAXUDA-NXEZZACHSA-N 374.206 2.679 0 50 FFAA Cc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1-c1ccccc1C(C)C 136488325 WAVHYECXLQTGPN-MRXNPFEDSA-N 356.426 2.778 0 50 FFAA CCC(CC)(NC(=O)c1cnn2c(-c3cccs3)ccnc12)C(=O)OC 253392442 GHUWUWMDICQMTD-UHFFFAOYSA-N 372.450 2.919 0 50 FFAA COc1ccc(-c2noc(C(=O)NCCc3ccccc3)n2)cc1OC 1428905 JLQWJEPJTJZKBD-UHFFFAOYSA-N 353.378 2.726 0 50 FFAA Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cnccn1 4776354 MCSLDBPGLIEAQD-UHFFFAOYSA-N 360.830 2.656 0 50 FFAA CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2C)n1 780385 SFIHLPRGMORFLS-UHFFFAOYSA-N 363.464 2.684 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)nc1)N1CCC(N2CCCCC2=O)CC1 2325758371 JUUGZPGOLFVIFP-UHFFFAOYSA-N 369.387 2.646 0 50 FFAA CCN1CC[C@@H](N(CCNC(=O)C[C@@H]2CCCCC2(C)C)C2CC2)C1=O 2325793711 FFBPTCJQDDKMTQ-FUHWJXTLSA-N 363.546 2.794 0 50 FFAA CC(=O)N1CCC([C@@H](C)CNC(=O)c2ccc(-c3ccccn3)o2)CC1 2325849455 PWIPYDGCLFUTLB-AWEZNQCLSA-N 355.438 2.966 0 50 FFAA CCOC(=O)CC[C@]1(C(=O)OC)C(=O)CCCCCCC[C@@H]1C(=O)OC 640764 FMVVKMLLCZQTBI-AUUYWEPGSA-N 370.442 2.592 0 50 FFAA O=C(Nc1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 2857107 UIRMOEAUJSXBSN-ZDUSSCGKSA-N 372.252 2.849 0 50 FFAA CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2cccc(C)c2)c1=O 9935493 QYYFEDYTRCQDBG-UHFFFAOYSA-N 354.406 2.557 0 50 FFAA CC[C@@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)O1 328634902 ULNNVUGJRKGFRG-XQQFMLRXSA-N 359.392 2.880 0 50 FFAA Cc1ccc(CN2CCN(C(=O)c3cc(C(C)C)on3)[C@H](C)C2=O)cc1 55358610 VYHCMXKZARXLFP-OAHLLOKOSA-N 355.438 2.980 0 50 FFAA c1cnc(Sc2ccc(CNCc3noc([C@H]4CCCO4)n3)o2)nc1 55090216 XLNXKYVJZRJZGQ-GFCCVEGCSA-N 359.411 2.745 0 50 FFAA NS(=O)(=O)c1cc(F)cc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 118548440 WWVIFISGIZTQBP-HNNXBMFYSA-N 355.435 2.660 0 50 FFAA Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3ccc(F)cc3)nn2)n1 65364569 UWHCXZNWGPMTPV-UHFFFAOYSA-N 369.404 2.652 0 50 FFAA CCN(CC)c1ncccc1CNC(=O)[C@@H]1CC(=O)Nc2ccccc21 67821354 KRNNKVVYLSHXAI-MRXNPFEDSA-N 352.438 2.670 0 50 FFAA CCN1CCN(Cc2nc3cc(NC(=O)CC(C)C)ccc3n2C)CC1 20706908 YGKVCBRQANLAHK-UHFFFAOYSA-N 357.502 2.695 0 50 FFAA CCc1ccc2oc(=O)cc(CN3CCC(c4nncn4C)CC3)c2c1 65399301 YZQPCCJQYJWILI-UHFFFAOYSA-N 352.438 2.864 0 50 FFAA O=C(NCCc1cn2ccsc2n1)Nc1nnc(C(F)(F)F)s1 23398383 PCTBSJYNSSFLND-UHFFFAOYSA-N 362.362 2.630 0 50 FFAA C[C@@H](O)c1cn(C2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)nn1 23337666 FOQPAKOLHGGFSC-OAHLLOKOSA-N 366.469 2.569 0 50 FFAA Cc1sc2nc(CCN)nc(N3CCC(N4CCCC4)CC3)c2c1C 65468864 RDVUTTGFNQIGLN-UHFFFAOYSA-N 359.543 2.874 0 50 FFAA C[C@@H]1CN(Cc2ccc(C(=O)N3CCCC[C@@H]3CCO)cc2)C[C@@H](C)O1 124269460 AJILTCAKKNUJJW-MBOZVWFJSA-N 360.498 2.673 0 50 FFAA CCOC(=O)C1=CNC=C(C(=O)OCC)C1c1nc2ccccc2s1 22077289 VNJXBFMLSPPWGG-UHFFFAOYSA-N 358.419 2.877 0 50 FFAA O=C(c1ccsc1Br)N1CCC(c2nnc(O)o2)CC1 331933226 OATQOHPZEKTNBT-UHFFFAOYSA-N 358.217 2.619 0 50 FFAA CCOC(=O)CN1CCC[C@@H]1c1ccc(C(=O)NCc2ccncc2)s1 20637177 DZENFBQLMCGMMB-OAHLLOKOSA-N 373.478 2.773 0 50 FFAA C[C@H]1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CN1Cc1ccccc1 128127549 DZKPHWPOVVHORP-MAUKXSAKSA-N 372.490 2.563 0 50 FFAA O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1ccncn1 67514600 JQQBLNVIGGHCMN-UHFFFAOYSA-N 374.379 2.998 0 50 FFAA CCc1ccc([C@@H](COC)NC(=O)N2CCC(c3nc(C)no3)CC2)o1 173515542 FSDRHSIDPSLNHQ-OAHLLOKOSA-N 362.430 2.810 0 50 FFAA CCn1nccc1C(=O)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 2755150 SYLOAZBKPIFDEJ-UHFFFAOYSA-N 367.306 2.957 0 50 FFAA O=C(O)C[C@H](NC(=O)C[C@H]1CCCO1)c1cccc(Br)c1 237937336 KXSSFYQDWFKMQP-OLZOCXBDSA-N 356.216 2.650 0 50 FFAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 72140406 UYOWOBOLEAXFKE-HNNXBMFYSA-N 362.389 2.595 0 50 FFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2-c2ncc[nH]2)C[C@@H](C)O1 71707783 CFFAQHBBGQGYMM-PHIMTYICSA-N 359.817 2.627 0 50 FFAA Cc1noc(C2CCN(C(=O)NC[C@@]3(N(C)C)CCC[C@@H](C)C3)CC2)n1 141082180 LEWJRYOIHMEXOZ-AUUYWEPGSA-N 363.506 2.778 0 50 FFAA C[C@@H]1CCc2nc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)sc2C1 241171041 KDUNNTHMDUZMCJ-SEFYAATASA-N 351.497 2.660 0 50 FFAA COc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)ccc1O 71759780 LKSZQPHYEMVEKG-INIZCTEOSA-N 360.454 2.510 0 50 FFAA COc1ccc(OC)c(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c1 33088758 MFVGGFOHRQWJQK-UHFFFAOYSA-N 350.374 2.827 0 50 FFAA O=C(OC[C@@H]1CCCCN1C(=O)c1noc2c1CCCC2)N1CCCC1 367347752 MSVMPDZEMOXBSX-AWEZNQCLSA-N 361.442 2.781 0 50 FFAA Cc1nc(CC(C)C)c(NC(=O)N2CCC(n3cnnc3O)CC2)s1 370467196 FBQSZGSSJAEOKN-UHFFFAOYSA-N 364.475 2.816 0 50 FFAA COc1ccc([C@@H]2CN(CCCn3cccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72134646 FJLKOALCKLDIQX-BHDDXSALSA-N 366.509 2.844 0 50 FFAA COc1ccc(-n2ccnc2CN2CCC[C@H](c3nccn3C)C2)cc1 215736406 GFHAFDAQDWFPDK-INIZCTEOSA-N 351.454 2.994 0 50 FFAA Cc1cccn2cc(CNc3nc(-c4ccncc4)nc4c3cnn4C)nc12 72419920 ZLTKOPDUSOOCKS-UHFFFAOYSA-N 370.420 2.994 0 50 FFAA CCc1ccc2nc(C)cc(C(=O)NCc3nc(-c4ncccn4)no3)c2c1 77338013 OJHPMJYNFAHPTJ-UHFFFAOYSA-N 374.404 2.876 0 50 FFAA Cc1c[nH]c(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 72163189 OPYGOVDGRRESRN-IBGZPJMESA-N 352.482 2.750 0 50 FFAA O=C(NCC1(N2CCCCC2)CCOCC1)c1cc(F)cc(Cl)c1O 177158585 DJQUAVAGCZEDPD-UHFFFAOYSA-N 370.852 2.950 0 50 FFAA Cn1nc(C(=O)N[C@H]2CC(=O)Nc3ccccc32)cc1-c1cccs1 222503500 VVGPIAXCWCZCAF-ZDUSSCGKSA-N 352.419 2.962 0 50 FFAA CC(C)CN1CCn2nc(CNC(=O)c3ccnc4ccccc34)cc2C1 82109583 JGZWAIJLFKAYPS-UHFFFAOYSA-N 363.465 2.833 0 50 FFAA OC[C@@H]1CCCCN1c1cc(N2CCC(Oc3ccccc3)CC2)ncn1 290641542 NQMFCTVJINJKAY-KRWDZBQOSA-N 368.481 2.876 0 50 FFAA COCc1nc(NCCCc2nc(C)c(C)s2)cc([C@H]2C[C@H](N)C2)n1 223357150 OUQMIFFGBRNVLM-OKILXGFUSA-N 361.515 2.946 0 50 FFAA Cc1ccn2cc(CNC(=O)N3CCN(Cc4cccs4)CC3)nc2c1 426387015 CTQPLEAJMJMXTF-UHFFFAOYSA-N 369.494 2.732 0 50 FFAA CC1(C)CN(c2cncc(C(=O)N3CCOCC3)n2)C[C@H]1c1ccccc1 426597204 JMFVLMVLYFOFHW-KRWDZBQOSA-N 366.465 2.579 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1cnc(C)n1C)CC2 426489702 UIQAHXADSAMXBI-CMKODMSKSA-N 356.470 2.715 0 50 FFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCc1noc(-c2ccccc2)n1 426555698 WPHKNVJCVSTGMQ-UHFFFAOYSA-N 366.425 2.680 0 50 FFAA COc1ccc(-c2noc(CNc3ncc(C(C)=O)c(C)n3)n2)cc1OC 95392071 OXPHLXWDMLSOKN-UHFFFAOYSA-N 369.381 2.667 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2CC[C@@]3(O)CCNC[C@H]3C2)cc1 95379211 QXXXHULCUWJPPP-REWPJTCUSA-N 364.489 2.772 0 50 FFAA CCN1C(=O)COc2cc(NC(=O)NCCCC[C@@H]3CCCO3)ccc21 96164471 PUCVVGWHFHCYKY-OAHLLOKOSA-N 361.442 2.903 0 50 FFAA O=C(CN(Cc1cccnc1)C1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 180728209 ZNSXVGQGJYXVNR-FQEVSTJZSA-N 369.440 2.785 0 50 FFAA CC(C)(NC(=O)c1ccc(CN2CCCCC2)cc1)c1nnc(N)s1 97480506 QSVHGTWHZJXFRH-UHFFFAOYSA-N 359.499 2.771 0 50 FFAA Cc1ccc2cccc(-n3ccnc3-c3cn(C4CCNCC4)nn3)c2n1 91626300 WCSNRNDFHGGVRD-UHFFFAOYSA-N 359.437 2.912 0 50 FFAA COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2COc3ccccc3C2)cc1 91474405 WLZLJAQMEPJCGL-MRXNPFEDSA-N 363.417 2.953 0 50 FFAA COc1ccc2c(c1)OC[C@H](CNc1ccc(-c3nccn3C)nn1)C2 91620819 ZZQUSMAIPXJTKO-ZDUSSCGKSA-N 351.410 2.549 0 50 FFAA CN(C)c1ccc(CCNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cc1 91475475 KNFSHOPMWTVFOC-KRWDZBQOSA-N 357.498 2.593 0 50 FFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CCOc3ccc(CO)cc3C2)c1 244723610 MELATENCRZMOEO-QGZVFWFLSA-N 368.477 2.868 0 50 FFAA O=C(CCN1CCC(N2CCSCC2)CC1)Nc1cc(F)ccc1F 244723986 MLLPBFCYWYTMLX-UHFFFAOYSA-N 369.481 2.807 0 50 FFAA COC[C@H](NC(=O)N(C)Cc1csc(C(C)C)n1)c1ccnn1C 534588175 GPNAKWNGVFGGTA-ZDUSSCGKSA-N 351.476 2.529 0 50 FFAA CSCc1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)nc1 534666115 QLFMNUFJWBAFBN-UHFFFAOYSA-N 371.506 2.674 0 50 FFAA O=C(Nc1cnc2sccn2c1=O)N1CCCC[C@@H]1c1nccs1 299793552 GMPXUJAVNQGSSV-LLVKDONJSA-N 361.452 2.972 0 50 FFAA Cc1ccc(CN(C)CC(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)cc1 299779903 AWCLPGGJPACFDN-UHFFFAOYSA-N 371.525 2.678 0 50 FFAA CCCn1nc(C)c(NC(=O)N(C)CC2CCN(CCOC)CC2)c1C 299797994 DKBLFILGJDQLGS-UHFFFAOYSA-N 365.522 2.732 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)N(C)Cc2cccc(O)c2)c1C 299795317 LKWZHRMRCXDTOG-UHFFFAOYSA-N 371.437 2.741 0 50 FFAA CCOC(=O)N1CCC(NC(=O)Nc2cc(-c3ccccc3)nn2C)CC1 299785419 ZSAWNFVVQASPTC-UHFFFAOYSA-N 371.441 2.830 0 50 FFAA Cc1nnccc1C(=O)NC[C@@H](C)NC(=O)CC12CC3CC(CC(C3)C1)C2 1875342111 YDOCDOWYZZISGO-KCXBLQSVSA-N 370.497 2.626 0 50 FFAA C=CC(=O)N1CCC(C(=O)N=c2cc[nH]c(CC)c2)(c2ccccc2)CC1 1875369731 DESGYDCJMVMTRO-UHFFFAOYSA-N 363.461 2.751 0 50 FFAA N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1nccnc1-c1nc2ccccc2s1 1875304708 RLCICLFQUHQSDO-FMCLSXCISA-N 365.462 2.609 0 50 FFAA C[C@@]1(C(=O)NC[C@H](NC(=O)C[C@@H](O)c2ccccc2)C2CC2)C[C@@H]2C[C@@H]2C1 1875358260 PFCRPWYJMMYCQW-CXRJOHDQSA-N 370.493 2.557 0 50 FFAA O=C(N[C@@H]1CN(C(=O)c2ccnn2C2CCC2)[C@H]2CCCC[C@H]12)C1CC1 1875407966 LDBMKPHHOURATL-ZACQAIPSSA-N 356.470 2.518 0 50 FFAA C[C@@H](CC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1)n1cccn1 952965752 BYDXWPPWVWGZLS-LBPRGKRZSA-N 354.414 2.655 0 50 FFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)CN2CCCCCC2)n1 952966868 HBCHMCDVZUBCGS-ZDUSSCGKSA-N 360.424 2.839 0 50 FFAA O=C(c1c[nH]nc1C1CCOCC1)N1CCO[C@H](c2ccccc2F)C1 888076587 WWHHPFXSJXUJQW-KRWDZBQOSA-N 359.401 2.657 0 50 FFAA O=C(c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1)c1cccc(O)c1 186682730 ULLWGKCKMYXBQO-GOSISDBHSA-N 350.418 2.543 0 50 FFAA Cc1cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)nc(N(C)C)n1 188708564 PAJMTYVELJTBLV-HNNXBMFYSA-N 353.470 2.829 0 50 FFAA CNC(=O)[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)C(C)C 225619393 OKAKMZOXINNENI-SFHVURJKSA-N 368.481 2.642 0 50 FFAA CCS(=O)(=O)C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 193250567 SQAYYIKLEKUEOV-UHFFFAOYSA-N 373.522 2.760 0 50 FFAA Cc1cccc([C@H](CNc2ncnc3onc(C)c23)N2CCOCC2)c1 193388077 JRGITTKNEWLGFM-INIZCTEOSA-N 353.426 2.720 0 50 FFAA O=C(C1CCC(O)CC1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 194517556 CQBCDJZENZGBHA-XZQMRNSJSA-N 357.372 2.891 0 50 FFAA COC(=O)NCCC(=O)Nc1ccc(OC)c(NC(=O)OC(C)(C)C)c1 730744743 OYTTUUISEIFAJO-UHFFFAOYSA-N 367.402 2.727 0 50 FFAA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)nc(N)n1 1506411078 ZGOLSTQULHPGKJ-AWEZNQCLSA-N 358.446 2.741 0 50 FFAA O=C(c1cccc(-n2cnnc2)n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 1506407860 KJGCCGSKESDIQP-CQSZACIVSA-N 374.404 2.823 0 50 FFAA CCNC(=O)c1ccc(N2CCCN(C3Cc4ccccc4C3)CC2)nc1 1529191989 MGJXSCCLYSILTA-UHFFFAOYSA-N 364.493 2.511 0 50 FFAA CCc1noc(C)c1C(=O)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529181687 UUXUJDOOFUQOTB-BEFAXECRSA-N 365.433 2.769 0 50 FFAA Cc1cccc(-c2ncc(CN3C[C@@H](O)[C@H](Cc4cc(C)no4)C3)cn2)c1 1529189157 IZTMJQSNYZVCRF-UYAOXDASSA-N 364.449 2.784 0 50 FFAA CC(C)Nc1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)cn1 219539676 GVAYFNUVDSWCBT-MSOLQXFVSA-N 357.502 2.520 0 50 FFAA COc1cccc([C@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2C(=O)O)c1 225397553 UVFDSJFBBBUBDQ-CVEARBPZSA-N 361.344 2.914 0 50 FFAA NC(=O)CC[C@@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 1704313899 ROLUPGBWVIMILZ-LBPRGKRZSA-N 371.407 2.578 0 50 FFAA O=C(c1ccc(Oc2ccccc2)o1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772712276 MOQJRTWMPPTQKD-YJYMSZOUSA-N 357.362 2.635 0 50 FFAA CCOC(=O)CN(C)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 11934898 IZBVFKJPNKLOJO-KRWDZBQOSA-N 369.417 2.959 0 50 FFAA CN1N=C(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)CCC1=O 12385305 GYPAENJLHOPSAC-AWEZNQCLSA-N 363.408 2.744 0 50 FFAA COc1ccccc1C(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 12441790 MMJLPZUDRFQVFD-NRFANRHFSA-N 356.466 2.950 0 50 FFAA CC1(C)Cc2cc(CNC[C@]3(O)CCCN(CC4CCC4)C3=O)ccc2O1 12714110 CGEYRHYGFZYPFZ-JOCHJYFZSA-N 372.509 2.643 0 50 FFAA COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1 16188412 AQHSZKKQRZFZDI-UHFFFAOYSA-N 368.842 2.608 0 50 FFAA CCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccn1 16650519 QYSJSDKRLJSYIP-UHFFFAOYSA-N 371.256 2.721 0 50 FFAA Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCC(O)(c3cccnc3)CC2)c1 19743673 JDSWPPBXYDKUOO-KRWDZBQOSA-N 354.450 2.976 0 50 FFAA COc1ccc(N2CCN(Cc3cc4c(cc3OC)CCC4)CC2)cn1 1857675500 AZFDBQQBYBRCSH-UHFFFAOYSA-N 353.466 2.910 0 50 FFAA COc1cnc(C)cc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 1857679054 VYLNLABSPLDOEM-UHFFFAOYSA-N 351.406 2.525 0 50 FFAA Cc1ccc(Cn2nc(C)c(CCC(=O)N3CCC[C@H]3CN)c2C)cc1 237851459 LQNWUBMKHQGVAC-IBGZPJMESA-N 354.498 2.739 0 50 FFAA O=C(C1CCCC1)N1CC[C@@]2(O)CCN(CCOc3ccccc3)C[C@H]2C1 247713254 LNKBFVNDZINUEH-UGKGYDQZSA-N 372.509 2.541 0 50 FFAA CCCN1CCC(NC(=O)N2CCN(c3ccccc3F)C[C@H]2C)CC1 252492172 MFCRTLXTSRBIOT-MRXNPFEDSA-N 362.493 2.920 0 50 FFAA COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc(OC)c1O 14437115 BVRHGBHZAQNORL-UHFFFAOYSA-N 360.318 2.603 0 50 FFAA biogenic CO[C@H](C(=O)Nc1cc(C(=O)O)ccc1N1CCCCC1)[C@@H]1CCCO1 2325812785 GYFMGUICKPOAPL-IRXDYDNUSA-N 362.426 2.508 0 50 FFAA COc1ccc(-c2nc([C@@H]3C[C@@H]3C)n(-c3ccnc4c3cnn4C)n2)nc1 2325865952 VNDQECPTUDRAKW-WCQYABFASA-N 361.409 2.743 0 50 FFAA COc1ccc(Cl)cc1NC(=O)c1ccccc1N(C)S(C)(=O)=O 682155 DQWUBLBAQFWXCV-UHFFFAOYSA-N 368.842 2.997 0 50 FFAA CCOc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 687735 RZDUKFAAMDCCFN-UHFFFAOYSA-N 354.472 2.618 0 50 FFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356138216 IKAWMIGIDIXOGT-NRFANRHFSA-N 364.449 2.836 0 50 FFAA Cc1ccc2c(C(=O)N3CCC[C@]4(CCc5cnc(C)nc54)C3)cnn2c1 2356157476 MQPJBPNOAQLXKU-NRFANRHFSA-N 361.449 2.861 0 50 FFAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(C)cc2)c1 6700709 LTSHUQZQHQJKJE-UHFFFAOYSA-N 367.449 2.786 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccccc1C(F)(F)F 100623579 GVJISLXLOXRZHU-FCIDVOKBSA-N 366.339 2.675 0 50 FFAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 101320233 PHMRRVDNMRMVEH-DMAMZFHHSA-N 367.232 2.963 0 50 FFAA CCSc1ncc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cn1 55255314 RJZZXULRWVKHOK-INIZCTEOSA-N 360.458 2.618 0 50 FFAA Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1N(C)S(C)(=O)=O 65363861 MIGDHBMYQNRVKU-CQSZACIVSA-N 358.463 2.982 0 50 FFAA CCc1cc(CNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)on1 67975493 JGHAUEIISUSZRC-HXUWFJFHSA-N 363.502 2.651 0 50 FFAA COc1cccc(CN2CCC[C@H](NCc3cccc4nonc34)C2)c1 20351363 DNCASYLTQHUKLM-KRWDZBQOSA-N 352.438 2.986 0 50 FFAA CNC(=O)c1ccc(OC)c(NCc2nc(-c3cnn(C)c3)cs2)c1 242288042 YKPFHTCURQJVLK-UHFFFAOYSA-N 357.439 2.524 0 50 FFAA Fc1cnc(N2CCN(C/C=C/c3ccco3)CC2)nc1N1CCCC1 67947137 YQNBCSPAFDEHMJ-HWKANZROSA-N 357.433 2.644 0 50 FFAA Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccnc3)N3CCCC3)n[nH]2)o1 67852355 BDIJKAXXJGRWGZ-GOSISDBHSA-N 365.437 2.940 0 50 FFAA CCn1ncnc1[C@H]1CC(=O)Nc2cc(OC)c(NC(=O)CC(C)C)cc21 65422418 GCUBEWVEDHFPPG-ZDUSSCGKSA-N 371.441 2.765 0 50 FFAA O=C(Cn1cc(-c2nccs2)cn1)Nc1ccn(Cc2ccccc2)n1 63883575 KKRRKOGMMRGWLH-UHFFFAOYSA-N 364.434 2.890 0 50 FFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@]1(C)CCCNC1 67908905 KTKXJYYCDPBFOO-NRFANRHFSA-N 352.482 2.724 0 50 FFAA Cc1ncoc1C(=O)Nc1ncnc2c1c(C)c(C)n2C[C@@H]1CCCO1 333510301 FBTHBSANAUXXMF-ZDUSSCGKSA-N 355.398 2.776 0 50 FFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 237498479 HSGMGIGYKZMFRH-YPMHNXCESA-N 352.360 2.843 0 50 FFAA CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C2CC(O)C2)nc(N)n1 219346859 CHFIVLZNXKYHSM-UHFFFAOYSA-N 352.360 2.952 0 50 FFAA CCC[C@H](C)N1CC2(CCN(C(=O)c3cnn4c3CCCC4)CC2)OC1=O 77565214 FGSBDLVTMYRACR-HNNXBMFYSA-N 374.485 2.835 0 50 FFAA CCS(=O)(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 72161040 IROSZLZFTFFMBJ-QGZVFWFLSA-N 358.454 2.602 0 50 FFAA Cc1cccc(CN2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)n1 72423685 SROLZNYFPPZWOG-SFHVURJKSA-N 368.529 2.884 0 50 FFAA COc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1OC(F)F 253432288 XSPJFBPWDWLGHA-UHFFFAOYSA-N 354.397 2.902 0 50 FFAA CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C)c2c(=O)[nH]c(O)nc2n1 151544751 QDDYFTRDGXDUMN-ZDUSSCGKSA-N 366.421 2.773 0 50 FFAA CN(C)CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 363188451 KITYEYPNXPTROX-MRXNPFEDSA-N 363.527 2.543 0 50 FFAA OC1(Cc2cccc(F)c2)CC(N[C@@H](c2ccccc2)c2nc[nH]n2)C1 367291338 RZKXYEFZSWRJAP-FDYSRKEFSA-N 352.413 2.759 0 50 FFAA Cc1cnccc1NCCNc1nc(-c2ccccn2)nc2c1c(C)nn2C 72478787 RVMYBYKAQLJBAR-UHFFFAOYSA-N 374.452 2.961 0 50 FFAA O=C(NC[C@H]1CCCN(Cc2ccc3ccccc3c2)C1)[C@H]1CCCN1 261906841 SKCIUTLWWRWLOC-WIYYLYMNSA-N 351.494 2.920 0 50 FFAA Cc1cc(C(=O)N2CCOC[C@H]2C(=O)O)c(C)n1[C@@H](C)c1ccccc1 262560622 YHYBMNGDIOMSJZ-KSSFIOAISA-N 356.422 2.640 0 50 FFAA CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(C(=O)O)n2)CC1 262628483 NYFPKCHQEWZYAQ-UHFFFAOYSA-N 367.405 2.904 0 50 FFAA CC(C)(C)CNC(=O)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1 71479514 ULKGLQNVVWTVNG-IBGZPJMESA-N 372.557 2.920 0 50 FFAA O=C(O)[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)C1 263408204 UHMCQACKDXSXKL-WMZOPIPTSA-N 353.422 2.872 0 50 FFAA COc1cccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccccc2)c1OC 222793042 CKJVKINPUQSTHR-SJORKVTESA-N 357.406 2.670 0 50 FFAA CCc1nn2c(ncc3c(=O)n(NC(C)=O)ccc32)c1-c1ccc(F)cc1 40396852 NMRJVKCAMLXTGD-UHFFFAOYSA-N 365.368 2.503 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)NCc2noc(-c3ccccc3)n2)no1 426436569 OKURHASUBQBOEO-UHFFFAOYSA-N 370.413 2.627 0 50 FFAA Cc1ccc(-n2nc(NC(=O)N3CCC[C@@H]3C(=O)NC3CC3)cc2C)cc1 180088340 ZABWBHCWTGYCME-QGZVFWFLSA-N 367.453 2.764 0 50 FFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)n1 82157466 OUNOPLBJBVNYCQ-INIZCTEOSA-N 370.453 2.751 0 50 FFAA CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnccc1C)CC2 92028649 GXKLSQTUSFUSMX-UHFFFAOYSA-N 367.497 2.903 0 50 FFAA O[C@H](COc1cccc(CN2CCCOCC2)c1)CN1CCCCCC1 95497359 VBMZMIRKSYZZHV-FQEVSTJZSA-N 362.514 2.525 0 50 FFAA COCCc1noc([C@H]2CCCN(c3ncnc4nc(C)cc(C)c34)C2)n1 95390499 OCBDXBYAIUDZDD-AWEZNQCLSA-N 368.441 2.598 0 50 FFAA Cc1cccc([C@H](C(=O)N2CCCN(Cc3ccccn3)CC2)N(C)C)c1 95367168 MTAWBXFRISEZRW-OAQYLSRUSA-N 366.509 2.727 0 50 FFAA CNc1ncc(C(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)cn1 97634966 IUCUEIKYCCXNPM-UHFFFAOYSA-N 351.385 2.895 0 50 FFAA CCOc1cccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95519181 YAYMDCRCUARTQH-GOSISDBHSA-N 370.497 2.863 0 50 FFAA O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(C(=O)OCc1ccccc1)C2 92078670 JHVHOHZSVDISEZ-ZWKOTPCHSA-N 365.433 2.955 0 50 FFAA COc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237387157 DBXLDNIFIQLFQT-ZDUSSCGKSA-N 357.410 2.802 0 50 FFAA Cc1cc(C)nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 92061698 DCUHMELQEYROEF-QGZVFWFLSA-N 366.465 2.886 0 50 FFAA Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@]4(CCCN(C)C4=O)C3)cc2)n1 91476049 LHVIKIFZSHMXNY-OAQYLSRUSA-N 366.465 2.574 0 50 FFAA c1cncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4c(c2)OCCO4)C3)c1 91780405 AENIDZKKXJKSCW-VQTJNVASSA-N 365.477 2.949 0 50 FFAA CCN1C[C@@H](c2nc(-c3ccc(-n4nc(C)cc4N)cc3)no2)CCC1=O 96147807 MREOAOUQBLRSFH-AWEZNQCLSA-N 366.425 2.539 0 50 FFAA CCc1oc(C(=O)N2Cc3nnc(C)n3[C@@H](C)C2)cc1CN1CCCC1 96140715 FEJCEDJPQNOGCO-ZDUSSCGKSA-N 357.458 2.555 0 50 FFAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n(C)n1 91563117 WNVIZFFCROJWLG-VQTJNVASSA-N 366.509 2.898 0 50 FFAA CCCn1cnnc1CNC(=O)Nc1cc(C)nn1-c1ccc(OC)cc1 96152987 HBJATYXUKUCZEH-UHFFFAOYSA-N 369.429 2.513 0 50 FFAA OCc1csc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 91468300 MRZROHAEJIZWAZ-OAHLLOKOSA-N 355.467 2.659 0 50 FFAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)NC[C@@H]1C[C@H](F)CN1 97713540 LALVGOVTGZLMST-GJZGRUSLSA-N 365.840 2.715 0 50 FFAA Cc1c(-c2cc(C(=O)NC[C@H]3CCOc4ccccc4C3)no2)cnn1C 95368528 YYTSQFZCBULRMH-AWEZNQCLSA-N 366.421 2.755 0 50 FFAA C[C@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1Br 299742343 BFRRLAPYLVLXCX-VXGBXAGGSA-N 370.243 2.645 0 50 FFAA O=C(c1ccc(-c2ccc(O)cn2)cc1)N1CCCN(C(=O)C2CC2)CC1 534576723 CCIMBVJNQTVSIL-UHFFFAOYSA-N 365.433 2.539 0 50 FFAA C[C@H](CNC(=O)N(C)CCc1nc2ccc(Cl)cc2[nH]1)CN(C)C 534661616 ADNRHJJHOHCAFJ-GFCCVEGCSA-N 351.882 2.598 0 50 FFAA CCCCC(=O)Nc1ccc(NC(=O)CN2CCCN(C)CC2)cc1C 822815983 OTWAZYATMSLGIO-UHFFFAOYSA-N 360.502 2.700 0 50 FFAA CC(C)(C)OC(=O)N1CCOc2nc(I)ccc21 66054318 WUIDSMOCKFSZBA-UHFFFAOYSA-N 362.167 2.820 0 50 FFAA in-vitro C=CC(=O)N(C)CC(=O)N[C@@H]1c2cccc(Br)c2CC1(C)C 861813234 OXVUEVSDHPVRNV-MRXNPFEDSA-N 365.271 2.833 0 50 FFAA C=CC(=O)NCCCN(C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 1875389573 SZXGKGPXNCPKOD-UHFFFAOYSA-N 369.343 2.831 0 50 FFAA CCOc1cccnc1S(=O)(=O)N1CCc2ccc(F)cc2[C@H](C)C1 1875312904 JPZBSSZHZDVYHB-CYBMUJFWSA-N 364.442 2.970 0 50 FFAA CS(=O)(=O)NC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 1875390907 BSEOTIGTYGMKGS-UHFFFAOYSA-N 360.222 2.821 0 50 FFAA CNC(=O)CN(Cc1cnccc1C)C(=O)c1cnc(C(C)(C)C)s1 1875379355 RBJWNNPOSSYBKI-UHFFFAOYSA-N 360.483 2.532 0 50 FFAA Cc1c(NC(=O)c2cc3ccccc3n(C)c2=O)cccc1C(=O)N(C)C 952981540 ICCXPCRRAUFKGV-UHFFFAOYSA-N 363.417 2.801 0 50 FFAA CC(C)(C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1)N1CCOCC1 952992211 YNXGERCDXRNVMN-SFHVURJKSA-N 362.470 2.684 0 50 FFAA Cc1ccc([C@@H](CC(=O)O)NC(=O)Cn2c(C)nc3ccccc32)cc1 1334138034 YVXBILQAGAVIEA-QGZVFWFLSA-N 351.406 2.985 0 50 FFAA CCO[C@H]1COCC[C@@H]1NC(=O)CC1CCN(Cc2ccccc2)CC1 1565513201 DJWSHVCBZDTMBW-PMACEKPBSA-N 360.498 2.599 0 50 FFAA CC(C)c1cc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)ncn1 1565508507 XWGLTQJRUKDSTM-HIFRSBDPSA-N 357.483 2.684 0 50 FFAA O=C(CCCc1cccs1)N1C[C@@H](CO)C[C@@H](CN2CCCC2)C1 1565511792 XJASYQFFSNWCKM-IRXDYDNUSA-N 350.528 2.624 0 50 FFAA O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565507501 LBZHOKPUTXBVAD-PMACEKPBSA-N 365.433 2.596 0 50 FFAA FC(F)(F)c1nnc(N2CCN(Cc3ccn4nccc4c3)CC2)s1 1237537921 BRLDDOPLVIDTMG-UHFFFAOYSA-N 368.388 2.527 0 50 FFAA Cc1ncsc1C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 275264977 IPIRVOWCLJGLNT-LBPRGKRZSA-N 350.444 2.856 0 50 FFAA CCn1cnnc1[C@H]1CCCN(c2ncnc3cc(F)c(OC)cc23)C1 302538006 FGDPHUUPTGPFQT-LBPRGKRZSA-N 356.405 2.773 0 50 FFAA Cc1cc(C)n(Cc2nnc(N3CCCC3)n2CCOc2ccccc2)n1 408524857 LNBUSKQHKFJBPQ-UHFFFAOYSA-N 366.469 2.819 0 50 FFAA CN(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 194934709 HANXRQBTSLYUMR-FQEVSTJZSA-N 365.477 2.710 0 50 FFAA Cc1cc(C[C@@H]2CN(Cc3cc4ccc(Cl)cc4nc3O)C[C@@H]2O)on1 1529155602 VTDPCISTHIAMPR-ACJLOTCBSA-N 373.840 2.926 0 50 FFAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]2O)on1 1704357854 YSLXFKNNCYQERC-ABAIWWIYSA-N 355.221 2.965 0 50 FFAA CC(C)c1nnc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)o1 1704300419 VLMFRRQNHBEVSS-CRAIPNDOSA-N 352.438 2.777 0 50 FFAA CC(=O)N[C@H]1CN(C(=O)CCOc2ccccc2)C[C@@H]1c1ccc(C)cc1 216671023 BKVUNWIWMQONSO-RTWAWAEBSA-N 366.461 2.895 0 50 FFAA CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 5857447 HKNITVNQDDYZDW-IBGZPJMESA-N 369.509 2.941 0 50 FFAA CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 14399809 LFBVYRIYSITYHN-CQSZACIVSA-N 368.499 2.644 0 50 FFAA O=C1CCCN1CCC(=O)N1CCC[C@](CO)(CCCc2ccccc2)C1 14968026 AYMCPIMBVRNQSJ-JOCHJYFZSA-N 372.509 2.623 0 50 FFAA Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3)C2)nn1C 14977348 IJLTXLFJYUZMPO-OAQYLSRUSA-N 370.472 2.996 0 50 FFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CSC)C1 15074020 GKJXIIAQFDXZMU-SFHVURJKSA-N 353.459 2.903 0 50 FFAA CC1CCN(S(=O)(=O)c2cc(C(=O)NC(C)(C)C)ccc2F)CC1 16622820 XLVVXLZRYXTPAV-UHFFFAOYSA-N 356.463 2.775 0 50 FFAA CC(=O)c1ccc(N2CCN(C(=O)CCN3CCC[C@@H](C)C3)CC2)cc1 19227135 LYXUQMXDEQHFIN-QGZVFWFLSA-N 357.498 2.660 0 50 FFAA Cc1cn2nc(C(=O)NCc3ccccc3F)cc2c(N2CCCC2)n1 169768714 HJRQERMRPXRTJM-UHFFFAOYSA-N 353.401 2.707 0 50 FFAA CCc1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(Cl)cc4)C3)nn2)n1 169778108 XHWOJVTUBIOBIT-CYBMUJFWSA-N 372.816 2.631 0 50 FFAA O=C1CC2(CCN(c3ccncc3)CC2)OCCN1CC[C@@H]1CC1(F)F 1857685423 IWASWGOTZRJHGU-OAHLLOKOSA-N 365.424 2.715 0 50 FFAA Cc1nc(CN2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)cn1C 1857698698 DRQPBOUKZSFEFJ-WOJBJXKFSA-N 355.482 2.976 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1N 1857730642 SWQFOMWMZWBKIJ-BMGDILEWSA-N 374.460 2.755 0 50 FFAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@H]1CCN(c2ccccc2F)C1 263420572 WTKNFKNTIZBJDB-OAHLLOKOSA-N 371.412 2.850 0 50 FFAA C[C@H](CC(=O)N1CCO[C@@H](c2cccs2)C1)NC(=O)C1CCCC1 161525673 HNCWDDZCPIMMPB-UKRRQHHQSA-N 350.484 2.733 0 50 FFAA COc1cc(-c2nc(CC(=O)NC3CCCCC3)no2)cc2c1OCCO2 264600956 JPTXWLNQBNPWSD-UHFFFAOYSA-N 373.409 2.508 0 50 FFAA Cc1cccc(Oc2ccc(C(=O)N3CC[C@H](O)[C@@H](C(=O)O)C3)cc2)c1 1704297211 KAPMWSREHPPADP-ROUUACIJSA-N 355.390 2.695 0 50 FFAA COCCC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704337369 VMPSREXQDRFIGW-NRFANRHFSA-N 351.450 2.987 0 50 FFAA O=C(c1ccc2c(n1)CCCN2)N1CCC(CCCn2ccnc2)CC1 828170383 OHLCZTVTPYTDGZ-UHFFFAOYSA-N 353.470 2.969 0 50 FFAA CC(=O)Oc1c(Br)cc(S(C)(=O)=O)cc1Br 690413 RMOMNRHEAAOHRN-UHFFFAOYSA-N 372.034 2.540 0 50 FFAA CC(C)[C@H](NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)C(=O)O 4698227 JQSRGQIYYVCSDD-SFKKXYGYSA-N 372.446 2.744 0 50 FFAA COc1ccc(C(=O)N2CCc3ccccc3CC2)cc1OCCCN 2100548347 YEECPSJNOMXZQQ-UHFFFAOYSA-N 354.450 2.664 0 50 FFAA COc1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(Cl)cc2)cc1 1087376 PHGJVAZEXGQHQB-INIZCTEOSA-N 351.811 2.809 0 50 FFAA Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C 1123970 BVJATWFOKSNGOU-UHFFFAOYSA-N 373.887 2.673 0 50 FFAA O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CCc2cc(F)ccc2C1 463534222 GSVHTILITRYIDX-INIZCTEOSA-N 371.387 2.838 0 50 FFAA CC1(C)COCCN1CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 247118440 WIGKQOPJCYUAFW-CHWSQXEVSA-N 354.853 2.810 0 50 FFAA CCC[C@]1(C(=O)O)CCN(C(=O)c2c(-c3ccccc3)noc2C)C[C@@H]1O 2356136065 FQVRGUZILHKNAY-YWZLYKJASA-N 372.421 2.728 0 50 FFAA O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 2826412 VQPKLPHEBYVOMD-UHFFFAOYSA-N 373.368 2.836 0 50 FFAA CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1ccccc1 2876296 STWZGYORZDLWGF-UHFFFAOYSA-N 360.435 2.539 0 50 FFAA COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl 2992885 AWPTYOIRPZBHKM-LLVKDONJSA-N 354.255 2.859 0 50 FFAA COc1ncccc1CN1CCC2(CC1)OCCc1cc(C(=O)O)sc12 2356157882 WAIKEWCCPJYMES-UHFFFAOYSA-N 374.462 2.914 0 50 FFAA O=C(c1cnn(-c2ccccc2)n1)N1C[C@H](n2cccn2)Cc2ccccc21 173137645 KINBORLWNIEJLG-GOSISDBHSA-N 370.416 2.908 0 50 FFAA COc1cc(NC(=O)CCc2cc(O)no2)ccc1NC(=O)CC(C)C 55327814 ZFYPGFKXAQEDAI-UHFFFAOYSA-N 361.398 2.945 0 50 FFAA CCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 9348608 PLGLDTVSBHQUMD-UHFFFAOYSA-N 358.423 2.506 0 50 FFAA COCc1ncn(Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)n1 67921944 USIAAMHLLWNDKF-UHFFFAOYSA-N 358.398 2.762 0 50 FFAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(Oc2ccc(Cl)cc2)c1 67674604 HETVRPKTWGZQAU-QAPCUYQASA-N 359.857 2.780 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3CCOC[C@@H]3c3c(C)n[nH]c3C)cc2)o1 328959726 KDYRSOLVPVTBGJ-MRXNPFEDSA-N 367.409 2.599 0 50 FFAA C[C@H](c1nnc(SCC(=O)O)n1-c1ccccc1Cl)n1ccnc1 67713469 PBTUGBMYAPSUCQ-SNVBAGLBSA-N 363.830 2.903 0 50 FFAA Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)N1CCCCC1 331707756 XOAGQVKSJCIOAN-UHFFFAOYSA-N 359.499 2.903 0 50 FFAA CCN(C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1)C1CC1 67833586 JVDNNQBWOQWHEE-UHFFFAOYSA-N 368.481 2.617 0 50 FFAA O=C(O)CCCCCC[C@H]1C(=O)NC(=O)N1CC[C@@H](O)C1CCCCC1 4257979 ZIDQIOZJEJFMOH-JKSUJKDBSA-N 368.474 2.663 0 50 FFAA biogenic,in-vitro CN(C1CCCCC1)S(=O)(=O)N1CC[C@](C(=N)O)(c2ccccc2)C1 332701082 SNSHRXHZOBDART-GOSISDBHSA-N 365.499 2.675 0 50 FFAA Cn1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)c(-c2cccs2)n1 333237334 DGHCLJRRJSGXRG-MAUKXSAKSA-N 374.510 2.507 0 50 FFAA O=C(CCc1ccsc1)N1CCN(c2ncnc3ccccc23)CC1 72430693 VUDMVWRPPCWFTG-UHFFFAOYSA-N 352.463 2.973 0 50 FFAA C[C@H](CC(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1 237538412 WGVZSJSKMQQKSZ-RISCZKNCSA-N 359.344 2.901 0 50 FFAA O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccncc1)C[C@@H]1CCCO1 219940476 XDVHPQUTYDZRIB-SFHVURJKSA-N 368.433 2.951 0 50 FFAA OC[C@@H]1CCCN1c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1 39478720 MPYLWCOBZQVMRO-INIZCTEOSA-N 354.385 2.823 0 50 FFAA CCOc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2c2cccn2C)cc1 175383771 GINVKZNIFZPZDI-LJQANCHMSA-N 369.465 2.907 0 50 FFAA CC(C)c1cc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)n(C)n1 241719774 QPLASNBNIJCNAZ-IIBYNOLFSA-N 371.481 2.726 0 50 FFAA CCc1oc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)cc1C(=O)O 261731155 YGCQKCPAVXVXRG-ZDUSSCGKSA-N 373.331 2.924 0 50 FFAA C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ncon1 245968384 VYFBXCSFXJFNPK-SVGFKBNWSA-N 368.437 2.720 0 50 FFAA C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)CO1 246772651 GHNLCVXSFPZGST-HHXXYDBFSA-N 368.433 2.617 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc2[nH]c(CO)nc2c1 72474302 FEXZBXRLZKIULE-UHFFFAOYSA-N 361.405 2.513 0 50 FFAA O=C1CC[C@@]2(CCCN(Cc3ccc(Cl)s3)C2)CN1CCCO 82147530 LEPAWANNHNFBAM-QGZVFWFLSA-N 356.919 2.989 0 50 FFAA COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)c1 82106575 DXMFBEFMDLGQNZ-HXUWFJFHSA-N 364.445 2.710 0 50 FFAA Cc1ccc(O)c(-c2ccc(C(=O)N3CCN(C)[C@H](CCO)C3)cc2)c1 426628688 CLSVQPLVVFKDEP-GOSISDBHSA-N 354.450 2.506 0 50 FFAA COCCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2ccc(C)nc2N)c1 426566848 GGFZSXUIZHMYNB-SFHVURJKSA-N 369.465 2.907 0 50 FFAA CC(C)Nc1cc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C)C3)cc2)ncn1 426444886 IBXCEDKBKXKHKR-QGZVFWFLSA-N 353.470 2.740 0 50 FFAA COc1ccc(-c2cc(CNc3cc(C4CC(N)C4)ncn3)on2)cc1 223900451 RSIQWVNDXMUARB-UHFFFAOYSA-N 351.410 2.957 0 50 FFAA CCOc1ccccc1CN1CC[C@]2(OC)CC[C@@H](OCC(=O)O)C[C@H]12 426633955 OKRVJLVPGZGJJJ-IMFGXOCKSA-N 363.454 2.699 0 50 FFAA COc1ccc(NC(=O)N[C@H](C)c2ccc(C)nc2)cc1C(=O)N(C)C 426383373 UWHRDDYPPCEYQB-CYBMUJFWSA-N 356.426 2.983 0 50 FFAA CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(C)s1)CC2 91933901 BTPCPIQAYYIBQF-UHFFFAOYSA-N 372.494 2.706 0 50 FFAA COCC[C@]1(O)CCN(Cc2cnc(-c3ccccc3OC)nc2)C[C@H]1C 91351229 NXLQHFWTZJCDCX-IIBYNOLFSA-N 371.481 2.762 0 50 FFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nc(C2CCCC2)no1 237969239 PHFMUJDIPFZISY-KKUMJFAQSA-N 361.442 2.904 0 50 FFAA O=C(O)Cn1nc(Cc2cccc(Cl)c2)nc1-c1ccc(CO)cc1 97717347 TVLDDVGAHFPNHB-UHFFFAOYSA-N 357.797 2.766 0 50 FFAA COc1ccnc(CNC2CCN(c3ncnc4ccsc34)CC2)c1 95505051 KTGQLYCSUPRQCC-UHFFFAOYSA-N 355.467 2.854 0 50 FFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1nc(Cc2ccccc2)no1 95526416 VAFGNWFALXLEFF-HNNXBMFYSA-N 367.453 2.900 0 50 FFAA CCCO[C@H]1CCCN(C(=O)Nc2ccc(CN3CCOCC3)cc2)C1 96149123 RSONGKHWAGYZFO-IBGZPJMESA-N 361.486 2.942 0 50 FFAA COc1cccc(N2CCN(Cc3noc(C4CCCC4)n3)CC2=O)c1 91593193 JXWREIHWKXTOHY-UHFFFAOYSA-N 356.426 2.585 0 50 FFAA COc1ccc(F)cc1[C@H](C(=O)O)N1CCCN(Cc2cccnc2)CC1 95389052 NIGJHPKFPOMFBB-LJQANCHMSA-N 373.428 2.563 0 50 FFAA Cc1ccn2cc(C(=O)N3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4=O)nc2c1 91914907 OJKGCCHEZXINBS-DLBZAZTESA-N 366.465 2.506 0 50 FFAA O=C(c1ccc2c(c1)ncn2CCO)N1CCCC[C@@H]1c1cccnc1 97797352 WIRHPNOWNSTITB-GOSISDBHSA-N 350.422 2.791 0 50 FFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCC[C@@H]1c1nccs1 91254318 CXKHSRMYOFXJTK-CYBMUJFWSA-N 353.407 2.678 0 50 FFAA Cc1cccc([C@H](C(=O)N(C)Cc2nc(-c3ccccn3)no2)N(C)C)c1 95373730 OJTVIDLCIOYZRW-GOSISDBHSA-N 365.437 2.701 0 50 FFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccccc2)nn1C 91644524 NWXPRWYFXGWMBT-QGZVFWFLSA-N 354.454 2.560 0 50 FFAA Cc1nc(CNC(=O)Cn2ccnc2-c2ccccc2)nc2c1CCCC2 91562772 XNVBBULFGSVUIJ-UHFFFAOYSA-N 361.449 2.844 0 50 FFAA O=C(c1nnc2n1CCCC2)N1CCC(Oc2ccc(Cl)cc2)CC1 243893786 AUFPXQPBJCXQJE-UHFFFAOYSA-N 360.845 2.951 0 50 FFAA Cc1ccc([C@@H](CNC(=O)Nc2ccc3cn[nH]c3c2)N2CCOCC2)o1 244633332 GBCNTGLNEWTYHH-QGZVFWFLSA-N 369.425 2.659 0 50 FFAA CCn1nc(C(C)C)cc1C(=O)N[C@H](c1cncc(OC)c1)[C@H]1C[C@@H](O)C1 244884095 YFDKQQJEMFNMFY-OHNRDTAOSA-N 372.469 2.672 0 50 FFAA O=C(O)c1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)cc1 299748763 ICEBUTZXBQDAQE-IRXDYDNUSA-N 367.401 2.618 0 50 FFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1n[nH]c2ccccc12 263585874 NMJSECFOIAKVER-QFBILLFUSA-N 370.497 2.916 0 50 FFAA biogenic C[C@H](NC(=O)N(C)Cc1noc2c1CCCC2)c1cn2ncsc2n1 534633496 SVPVFWHWLWGDEC-JTQLQIEISA-N 360.443 2.560 0 50 FFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1nc(C2CCCCC2)no1 65466017 RWEOTCUPBHCMOI-HNNXBMFYSA-N 354.410 2.608 0 50 FFAA CNC(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)o1 299801537 ZAQNOGYLFZWUEU-UHFFFAOYSA-N 361.829 2.823 0 50 FFAA COCCCCN1CCN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 299772110 YAWPHVNQIMLDNT-UHFFFAOYSA-N 362.474 2.530 0 50 FFAA COc1ccc(-c2cccc(C(=O)N3CC[C@@H](NC(C)=O)C3)c2)c(OC)c1 299772716 AQVOCYVPAHSQGO-QGZVFWFLSA-N 368.433 2.721 0 50 FFAA O[C@H]1CCCN(c2ccnc(NCC3(COc4ccccc4)CC3)n2)C1 584894902 LSEVOBKNZDMRLP-INIZCTEOSA-N 354.454 2.709 0 50 FFAA COc1ccc(NC(=O)c2ccc(F)c(OC)c2F)cc1C(=O)N(C)C 824704471 YAKGJGOSIADPMV-UHFFFAOYSA-N 364.348 2.936 0 50 FFAA COc1ccc2[nH]c(CNC(=O)CCc3c(C)nc(O)nc3C)cc2c1 824758431 DAWRHAAVEPCROE-UHFFFAOYSA-N 354.410 2.538 0 50 FFAA O=C(NCCn1ncc2ccccc2c1=O)N1CC[C@@H]2CCCC[C@H]2C1 584884354 OEFLJAANMPIGHS-RDJZCZTQSA-N 354.454 2.618 0 50 FFAA O=C(N[C@@H](C(=O)O)c1cccnc1)c1cccc(OCc2cccnc2)c1 1875315151 JUMPCDMOMUACQH-GOSISDBHSA-N 363.373 2.611 0 50 FFAA CCN1C[C@@H](c2nc(-c3cccc(F)c3)nn2C[C@H]2CCCO2)CCC1=O 1875348835 DMUNZVFXDBXDKX-DOTOQJQBSA-N 372.444 2.989 0 50 FFAA CC(C)c1ccccc1OCC(=O)Nc1ccccc1CS(N)(=O)=O 1875312467 MSELWRONDXCICE-UHFFFAOYSA-N 362.451 2.616 0 50 FFAA CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCC12CCC2 1875405063 OMVPTEHVEXZISW-ZRGWGRIASA-N 358.486 2.595 0 50 FFAA CCNC(=O)[C@H]1CCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1 952977248 SZFCMVGPIPZKOJ-IBGZPJMESA-N 366.461 2.906 0 50 FFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)COc2ccc3c(c2)CCCC3)C1 888077476 CWKVHSPOFUKYIM-QZTJIDSGSA-N 355.438 2.656 0 50 FFAA Cn1cc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)c(C2CCCCC2)n1 886096822 GVGDKDOTRSNYDZ-MRXNPFEDSA-N 354.458 2.817 0 50 FFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC1CCN(Cc2ccccn2)CC1 1565525358 JGIMFTOXAGTLNO-SFTDATJTSA-N 359.514 2.776 0 50 FFAA CNc1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2ccc(F)cc2)C3)ccn1 1565530283 XABREOQBEASXRK-APWZRJJASA-N 368.456 2.999 0 50 FFAA O=C(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1n[nH]c2c1CCCC2 1565525792 KDJDBIFHRYXVNE-YNVMFWSZSA-N 351.450 2.665 0 50 FFAA CC1CCC(N2C[C@@H](C(=O)O[C@@H](c3ncccn3)C3CC3)CC2=O)CC1 170609298 YTMOMYSPEAWXJO-CXBLAEQGSA-N 357.454 2.898 0 50 FFAA C[C@@H](CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1nncn1C 170606135 JZVFMRCQPRYMCO-AWEZNQCLSA-N 363.421 2.601 0 50 FFAA COc1ccc(CN(C)C(=O)CN2CCc3cccc(OC)c3CC2)cc1 193711260 MRVIXWMHKVMVLV-UHFFFAOYSA-N 368.477 2.763 0 50 FFAA Cc1cc(N2CCCN(c3ccccc3C)CC2)nc(N2CCOCC2)n1 1506414081 NOFMOBVZLHEXJQ-UHFFFAOYSA-N 367.497 2.647 0 50 FFAA O[C@@H]1CN(C2CCN(c3ccccc3Cl)CC2)C[C@H]1Cc1cnccn1 1529172945 UDDJMXPLFGRVAU-FOIQADDNSA-N 372.900 2.634 0 50 FFAA COc1ccc(Cc2ccc(S(C)(=O)=O)cc2)cc1Cn1cccn1 1772805349 LMSGTXOJYKNFKN-UHFFFAOYSA-N 356.447 2.934 0 50 FFAA COCCNC(=O)CCC1CCN(Cc2ccc(F)c(OC)c2)CC1 11753512 CQVFHENDSOTXMW-UHFFFAOYSA-N 352.450 2.589 0 50 FFAA O=C(c1cccc2ccccc12)[C@H]1CCCN(C(=O)CCn2cncn2)C1 11838505 PMCJPWKCXXYAAH-KRWDZBQOSA-N 362.433 2.943 0 50 FFAA CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2ncc[nH]2)C1 12302835 AROKRNGYNZGRNG-HXUWFJFHSA-N 357.454 2.806 0 50 FFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccccc1F 1857687592 ZZNUSDNLTGZRCE-AWEZNQCLSA-N 374.441 2.851 0 50 FFAA CCC[C@@]1(CO)CN(C(=O)c2ccc(N(C)C)c3ccccc23)CC[C@@H]1O 1857714966 UWEFGBZWUWCAKU-UNMCSNQZSA-N 370.493 2.891 0 50 FFAA Cc1ccccc1-c1ncc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cn1 1857726574 XTWHJERGJJCPIA-WIYYLYMNSA-N 360.461 2.882 0 50 FFAA OCC1(Cn2ccnc2-c2cc(F)ccc2-n2cccn2)CCOCC1 1857730754 VZTUSOYZRVHFSP-UHFFFAOYSA-N 356.401 2.664 0 50 FFAA CCc1ccccc1CN1C[C@@H]2[C@H](CNC(=O)CSC)[C@H]3CC[C@]2(C1)O3 1857735869 CUROAERHACEDLR-QEUVDIPISA-N 374.550 2.708 0 50 FFAA O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCOC2(CCOCC2)C1 120597784 SAIGNESTKVVRCN-IUODEOHRSA-N 368.836 2.926 0 50 FFAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2cnc(C(C)C)s2)o1 328615138 XTMBAVOTKCSZLH-LLVKDONJSA-N 350.444 2.987 0 50 FFAA Cn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncnc2c1cnn2C(C)(C)C 328621845 IAEDRHCDLWULIT-KBPBESRZSA-N 355.446 2.647 0 50 FFAA c1cc(CN2CCN(c3nc4ccccc4o3)CC2)c2c(c1)OCCO2 329183582 OXVSBLSNSIEJGH-UHFFFAOYSA-N 351.406 2.921 0 50 FFAA COc1ccc(Cn2nnnc2SCC[C@H](O)c2ccccc2)cc1 806581187 XQSOOOXVKMVYBX-KRWDZBQOSA-N 356.451 2.946 0 50 FFAA CC(C)(C)N1CCC(NC(=O)c2cnn(Cc3ccccc3)c2N)CC1 822843772 NPXRQPYKOZGLQB-UHFFFAOYSA-N 355.486 2.506 0 50 FFAA C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO 33650317 ZYTXTXAMMDTYDQ-DGEXFFLYSA-N 356.462 2.753 0 50 FFAA in-man Cc1c(C(=O)N2CCO[C@]3(COC(C)(C)C3)C2)c(O)nc2ccccc12 2325782199 COBIIWVJNQIHAQ-FQEVSTJZSA-N 356.422 2.659 0 50 FFAA Cc1ccc(C(=O)Nc2ccccn2)cc1S(=O)(=O)N1CCCCC1 1195897 JRVCJGHQLFRGSM-UHFFFAOYSA-N 359.451 2.817 0 50 FFAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(N)=O)c3n2)cc1OC 1204121 RLQYZHMAJOTWTN-UHFFFAOYSA-N 366.299 2.531 0 50 FFAA Cc1ccc(N2CCC[C@]3(CCCN3C(=O)c3cccnc3O)C2=O)cc1 2356135333 ZOVZPJWFNAQFDP-NRFANRHFSA-N 365.433 2.897 0 50 FFAA O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@@]12CCCNC2=O 2356150211 RAWNXZOBXAZLPX-OAHLLOKOSA-N 357.332 2.862 0 50 FFAA Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccccc2)cc1C 2952587 ARQYCSPFQAYRKJ-UHFFFAOYSA-N 360.431 2.893 0 50 FFAA Cc1ccc(S(=O)(=O)N2CCC[C@]23CCCN(C(C)C)C3=O)cc1 2356167961 KEHURLKFEWOFFT-SFHVURJKSA-N 350.484 2.549 0 50 FFAA CCCCn1nc(CC(C)C)c2c(N3CC[C@H](C(=O)NCC)C3)ncnc21 2356169343 QOINHJVBVYTWBI-HNNXBMFYSA-N 372.517 2.787 0 50 FFAA COc1cc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)ccc1O 4519941 JPTMKNLEFQQBPP-AWEZNQCLSA-N 369.348 2.871 0 50 FFAA CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 4809539 WDXAFTLARLASDV-UHFFFAOYSA-N 360.435 2.795 0 50 FFAA Cc1cc(C)n(C)c(=O)c1C(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 55243234 FSWDMNJAOWSCQX-INIZCTEOSA-N 360.479 2.885 0 50 FFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H](N1CCCC1)CC2 23544117 IVNKPQBCWXEBIX-QGZVFWFLSA-N 352.482 2.586 0 50 FFAA CCc1nnsc1C(=O)N(C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328623459 JEUGIBYAFJSLJF-VIFPVBQESA-N 373.404 2.650 0 50 FFAA C[C@]12CCC(=O)N1c1ccccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 170620106 UHXFQZPYTDBUEI-FQEVSTJZSA-N 362.364 2.925 0 50 FFAA C[C@@H](NC(=O)c1cc(CN2CCC(O)CC2)on1)c1ccccc1Cl 67654902 IUHBWCDTOFKCFH-GFCCVEGCSA-N 363.845 2.776 0 50 FFAA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC[C@H](O)c1ccco1 123617627 UMFSPHVLVANLHK-SKDRFNHKSA-N 371.220 2.555 0 50 FFAA CC[C@H](NC(=O)c1cc(C(C)C)nn1C)c1ccc(S(C)(=O)=O)cc1 65370675 HXYTYHXCPYJMHZ-HNNXBMFYSA-N 363.483 2.828 0 50 FFAA Cc1ccc(OCC(N)=O)c(-c2ccc([C@H](C)N3CCOCC3)cc2)c1 67852301 WODSUCHBSJPTEL-INIZCTEOSA-N 354.450 2.919 0 50 FFAA Cn1c(CN2C[C@@H](COc3ccccc3)OC(C)(C)C2)nnc1C1CC1 284431991 AUHKKNQZBHESLB-KRWDZBQOSA-N 356.470 2.751 0 50 FFAA CC1=NN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)[C@@](O)(C(F)(F)F)C1 6394972 VCTPHYFMWLLDFM-ZBEGNZNMSA-N 356.344 2.802 0 50 FFAA O=C1CCCN1c1ccc(S(=O)(=O)NCCSC2CCCC2)cc1 72446640 SGKYQUCWFOPUPZ-UHFFFAOYSA-N 368.524 2.768 0 50 FFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](C)Cc2cccs2)n(C)n1 215606843 KNMJBRJUVCEBQX-LLVKDONJSA-N 357.483 2.860 0 50 FFAA CC1(C)Cc2cccc(NC(=O)CCn3nnc4ccccc4c3=O)c2O1 252498126 QUHJEOXWKBSHDV-UHFFFAOYSA-N 364.405 2.534 0 50 FFAA Cc1cc(C)cc(C2(CNC(=O)[C@H]3NCCc4[nH]cnc43)CCCC2)c1 72480943 GMSIUTUPXBTBCK-IBGZPJMESA-N 352.482 2.842 0 50 FFAA Cc1nn(CC(=O)NCCN2CCC[C@H](c3ccccc3)C2)c(C)c1C 215599769 NHYIXAAIKKUWHK-FQEVSTJZSA-N 354.498 2.804 0 50 FFAA CN(CC1(N2CCCCC2)CCCCC1)C(=O)C[C@H]1C=CS(=O)(=O)C1 72473999 XKLMIKXTUNFZTD-QGZVFWFLSA-N 368.543 2.582 0 50 FFAA O=C(N[C@H]1CCOC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 12714250 OVOMDPAGMACKRY-SFHVURJKSA-N 369.465 2.648 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(-c2ccccn2)no1 77419821 FTGDJYFFDGHBJS-HNNXBMFYSA-N 353.382 2.643 0 50 FFAA CCCCCCN1CC2(CCN(C(=O)c3snnc3C)CC2)OC1=O 77284911 LKSNGWWSYLIAOJ-UHFFFAOYSA-N 366.487 2.854 0 50 FFAA Cc1ccc(CS(=O)(=O)N2Cc3cnnn3Cc3ccccc32)c(F)c1 365794717 KUDMAWOBWZLSRW-UHFFFAOYSA-N 372.425 2.624 0 50 FFAA COCCCN1C[C@]2(CCCN(c3cnc4ccccc4n3)C2)CCC1=O 72439284 NVJAPISGNPVZDO-OAQYLSRUSA-N 368.481 2.875 0 50 FFAA COCc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)no1 262246690 LGQRXJUHCOCMJQ-MRXNPFEDSA-N 361.467 2.667 0 50 FFAA CC(C)[C@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nccn1C 72433235 UXPQIDADUGUWIG-HNNXBMFYSA-N 362.441 2.968 0 50 FFAA COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O 217820995 VABSXQDQQNHUSJ-CYBMUJFWSA-N 368.341 2.922 0 50 FFAA biogenic CC(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 77356461 PHZDHJIFEHQKOD-LBPRGKRZSA-N 362.854 2.549 0 50 FFAA O=C(c1cc2ccccc2[nH]1)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 71415840 ZYKJPGGUUGNOOC-UHFFFAOYSA-N 371.400 2.512 0 50 FFAA CC(C)Cc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)on1 72159315 KLQHBTFDIQGVHN-MRXNPFEDSA-N 359.401 2.543 0 50 FFAA Cc1cc2nc(-c3ccccc3)cc(NCCCN3CCC[C@@H](O)C3)n2n1 72432607 AFAYGJSHXBRFOI-GOSISDBHSA-N 365.481 2.963 0 50 FFAA CC(C)c1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)o1 426571346 BQROWBFYFIIQAV-MRXNPFEDSA-N 354.454 2.831 0 50 FFAA CCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 82096804 FQAAHMAXMBXDQK-HXUWFJFHSA-N 366.461 2.818 0 50 FFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NC1CCN(C2CCN(C)CC2)CC1 221280211 CZWLMWDEXROZDU-OAQYLSRUSA-N 353.510 2.765 0 50 FFAA COC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 82092085 NDLGBPAJXBKRDM-UHFFFAOYSA-N 364.405 2.526 0 50 FFAA O=C(NCc1cc2cc(F)ccc2[nH]1)N1CCCO[C@@H](CN2CCCC2)C1 426493361 ZVNFBECDDMWAOG-SFHVURJKSA-N 374.460 2.703 0 50 FFAA CCOc1ccccc1N1CCN([C@H](C(=O)O)c2cccc(CO)c2)CC1 95355096 WTSOBXJUULBRCU-FQEVSTJZSA-N 370.449 2.526 0 50 FFAA CCSc1ncc(CN2CCN(Cc3ccccc3F)C(=O)C2)cn1 97637859 BBCLEWALWFTMDA-UHFFFAOYSA-N 360.458 2.572 0 50 FFAA COc1cccc(SCC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c1 94102378 KWCXJXHPTCWVCC-HNNXBMFYSA-N 372.494 2.610 0 50 FFAA CSCCc1nc(C[C@@H](C)NC(C)=O)n(-c2ccccc2Cl)n1 96166630 VVEJGCQIDMZAMF-LLVKDONJSA-N 352.891 2.893 0 50 FFAA O=C(Nc1cccc2nsnc12)N1CCC(N2CCSCC2)CC1 96142276 PNUPDCLHQZWECU-UHFFFAOYSA-N 363.512 2.736 0 50 FFAA Cc1cc(N2CCCN(C(=O)CCn3nc(C)c(C)c3C)CC2)ccn1 91365222 OAUCIDZQEPCQDC-UHFFFAOYSA-N 355.486 2.641 0 50 FFAA Cc1cccc(CC2(NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)CC2)c1 95504637 CCVBEQHIMGOABW-IBGZPJMESA-N 363.461 2.630 0 50 FFAA CSCCc1nc(C2(Cn3ccnc3)CC2)n(-c2cccc(C)n2)n1 97098872 ANESPJIJXSFCLU-UHFFFAOYSA-N 354.483 2.805 0 50 FFAA CCc1ccccc1OC1CN(C(=O)c2cc(C)n3nc(C)cc3n2)C1 97179446 PFUUDANUPZNICW-UHFFFAOYSA-N 350.422 2.812 0 50 FFAA O=C(CCc1nc2ccccc2[nH]1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244900165 ZXHKLAMOWGPURV-LAPQFRIASA-N 350.422 2.519 0 50 FFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 184039817 WKDGFJMRIVGWFE-UHFFFAOYSA-N 368.481 2.981 0 50 FFAA CCCN1C(=O)CCc2cc(NS(=O)(=O)N3CCC[C@H]3C)ccc21 185288270 GDFZYHKSICCUDR-CYBMUJFWSA-N 351.472 2.517 0 50 FFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cncc(F)c1 1940194944 DRJPXDKRSAGFDR-DNVCBOLYSA-N 351.381 2.756 0 50 FFAA COc1cc2c(cc1CNC(=O)CCN1CCCCCCC1)OCCO2 299793419 HAZVZHIUCLYUFO-UHFFFAOYSA-N 362.470 2.739 0 50 FFAA O=C(Nc1ccccc1OCCOc1ccccc1)N1CC[C@H]2CNC[C@H]21 299785624 KXFPPJCMDRTLTC-QFBILLFUSA-N 367.449 2.970 0 50 FFAA c1cnc(NCc2cc3n(n2)CCN(Cc2cccc4ncccc24)C3)nc1 299800343 WFHIGHNPBYTSCH-UHFFFAOYSA-N 371.448 2.849 0 50 FFAA Cc1ccsc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 827968265 JYBONGTZTYVTEC-UHFFFAOYSA-N 360.435 2.546 0 50 FFAA O=C(NCCOc1cccc2cccnc12)c1cn(-c2ccccc2)nn1 828226668 AYDIHIREFOYHSJ-UHFFFAOYSA-N 359.389 2.624 0 50 FFAA O=C(Nc1ccc2nc(CO)[nH]c2c1)c1cc2ccccc2c(=O)s1 828809031 XWANYFJLEWMIJU-UHFFFAOYSA-N 351.387 2.882 0 50 FFAA Cn1cncc1C(=O)NCC1CCN(Cc2cc(Cl)ccc2F)CC1 825512869 MVSDYPNBDUILTL-UHFFFAOYSA-N 364.852 2.855 0 50 FFAA Cc1nc2cc(CNC(=O)N(C)Cc3noc(CC(C)C)n3)ccc2n1C 584895939 DHTMHRJHBSOSJN-UHFFFAOYSA-N 370.457 2.805 0 50 FFAA O=C1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCN1 1875272574 JDNVMORMTKAXLX-AEGPPILISA-N 354.372 2.984 0 50 FFAA Cc1c(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)cc(Cl)nc1Cl 1875369421 MXHWMTVYKKGJRE-ONGXEEELSA-N 356.253 2.637 0 50 FFAA Cc1cc(N(C)[C@H](C)CNC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n2ncc(C)c2n1 1875405958 SPEAGMUBVNDXEP-JSPVNYKOSA-N 355.486 2.579 0 50 FFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H](O)c1cccc(O)c1 952871843 DRLPJAOHJUCTFV-MRXNPFEDSA-N 362.813 2.858 0 50 FFAA COCCNC(=O)c1cccc(NC(=O)c2nn(C)c3ccccc23)c1C 952967720 BOPJSTUTPFOICQ-UHFFFAOYSA-N 366.421 2.510 0 50 FFAA CSc1cccc(CN(C(=O)NC[C@H]2CCS(=O)(=O)C2)C(C)C)c1 952982520 YSBXFHVKRFCZHN-OAHLLOKOSA-N 370.540 2.763 0 50 FFAA O=C(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1scc2c1OCCO2 1565505719 QIAHXMZEAANPFP-YALNPMBYSA-N 371.458 2.895 0 50 FFAA Cc1cc(NC(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)no1 275690069 MMFQYLSUAPQRPZ-ZDUSSCGKSA-N 361.471 2.958 0 50 FFAA C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@H]1O2)n1c(S)nnc1-c1cccs1 225422160 KPGRAKDSJXMSJB-DDHJBXDOSA-N 364.496 2.540 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(c2nccs2)CC1 190431746 BQKOTRUUXDWAEN-HOTGVXAUSA-N 361.515 2.838 0 50 FFAA O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1610709438 LQJAGTMNLJLAJX-XHDPSFHLSA-N 358.316 2.660 0 50 FFAA O=C(c1ccc(OC(F)F)cc1)N1CCCN(C(=O)C2CC=CC2)CC1 1704337379 RRPZANZEUVZDNL-UHFFFAOYSA-N 364.392 2.929 0 50 FFAA Cc1nc2ccccc2nc1CN1CC[C@H](N2CCCCCC2)[C@@H](O)C1 1615633117 AZWYDNIJRXRDFF-SFTDATJTSA-N 354.498 2.749 0 50 FFAA CC(C)c1nccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)n1 1615958691 PTERHNHMDSLALI-PMACEKPBSA-N 352.482 2.858 0 50 FFAA O=C(c1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1)N1CCCC1 11819199 CAHMFSKWQSBKSJ-UHFFFAOYSA-N 354.454 2.689 0 50 FFAA COc1cccc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)c1OC 11874523 QXJBMMVCNCZPAG-INIZCTEOSA-N 359.397 2.927 0 50 FFAA O=C(/C=C/c1ccccn1)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 12078240 XNQGTJPBLSMBBK-IWAYRVGRSA-N 358.401 2.672 0 50 FFAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ccccc2F)CC1 12381971 QKYYMBCIMQHHGM-GOSISDBHSA-N 373.428 2.522 0 50 FFAA Cc1ccn(CCC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)n1 12713906 DQWNDFOQXZONHX-FQEVSTJZSA-N 354.498 2.795 0 50 FFAA OCCc1cn(CC2CCN(Cc3cc4ccccc4s3)CC2)nn1 19839867 RRDSBXSRKIDPBJ-UHFFFAOYSA-N 356.495 2.940 0 50 FFAA Cc1ccc(-n2ccc3nc(N4CCOCC4)ncc3c2=O)cc1Cl 19974167 SBCFMNNLDYTKNV-UHFFFAOYSA-N 356.813 2.579 0 50 FFAA COCCc1noc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 152478491 GHCYTQWIZJCYOX-UHFFFAOYSA-N 368.437 2.891 0 50 FFAA CC(C)n1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1C(=O)c1n[nH]cc1Cl 1857531590 FQFCUGIKBMTTAF-GXFFZTMASA-N 364.837 2.555 0 50 FFAA COCCN1C[C@@H](Cn2ccnc2-c2cccc3ncccc23)CC1=O 1857682127 ITEWQSMZYCQDKU-HNNXBMFYSA-N 350.422 2.593 0 50 FFAA Cc1nc(O)cc(C2CCN(C(=O)[C@H]3CC[C@H](c4ccccc4)N3)CC2)n1 1875249179 JVQDATBZPFBMNB-QZTJIDSGSA-N 366.465 2.690 0 50 FFAA COc1cc(C)c([C@@H](C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cc1OC 157928747 RTXCSCPVDSDDSP-GFCCVEGCSA-N 369.421 2.683 0 50 FFAA COc1ccc([C@@H](NC(=O)c2ccn(C(C)C)n2)C(=O)O)cc1Cl 263044408 NNGPPGXFERSIKL-CQSZACIVSA-N 351.790 2.682 0 50 FFAA CC(C)(C)OC(=O)N1CCN[C@@]2(COc3cc(Br)ccc32)C1 398516655 SXVLPHJBARCWGH-MRXNPFEDSA-N 369.259 2.877 0 50 FFAA COc1ccc(-c2cnnc(N(C)CCC3CCOCC3)n2)cc1OC 11818667 CIZRKTLDRUGCAF-UHFFFAOYSA-N 358.442 2.809 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC[C@@H]2O 753137 MEAUGNVMUAFHGV-ZDUSSCGKSA-N 366.483 2.719 0 50 FFAA O=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc(Br)cc1 1065148 WHTIWLXHQBMAPL-HNNXBMFYSA-N 373.206 2.620 0 50 FFAA CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(Cc3cccnc3)no2)c1 2325708936 UKWUOGWBHGFQLL-UHFFFAOYSA-N 372.450 2.799 0 50 FFAA Cc1cc(C)cc(-n2ncc(C(=O)N3CCC(n4cc(C)cn4)CC3)n2)c1 2325730825 SNDCGYIVPBBDGT-UHFFFAOYSA-N 364.453 2.866 0 50 FFAA CC(C)Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2ccccc2NC1=O 2325784911 SXHUAYVNSGRNEE-JFIYKMOQSA-N 366.465 2.712 0 50 FFAA O=C(O)C[C@H]1C[C@H](NC(=O)Cc2c[nH]c3cccc(Br)c23)C1 2325788670 VUDCNXNUXMCITL-HOMQSWHASA-N 365.227 2.842 0 50 FFAA CN1C[C@]23CCC[C@@]2(C1)CN([C@H](C(=O)NC1CC1)c1ccc(F)cc1)C3 2325828560 KSMCOCNTQITDPG-SESVDKBCSA-N 357.473 2.563 0 50 FFAA CCCC(=O)N[C@H]1C[C@@H](N=c2[nH]c3cccc(Br)c3o2)C1 2325866928 FFYGDFVKSBXSJK-AOOOYVTPSA-N 352.232 2.871 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2N2CCCCC2=O)CC1 2325884556 GALURBMGXIWFBE-UHFFFAOYSA-N 355.438 2.567 0 50 FFAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1 2325888991 LDQQKOZZRDFMND-INIZCTEOSA-N 352.390 2.997 0 50 FFAA O=C(c1ccc(C(=O)N2C3CCC2(C(=O)O)CC3)cc1)c1cccc(O)c1 910296250 SVGLEKXELHHPPD-UHFFFAOYSA-N 365.385 2.845 0 50 FFAA CCc1cc2c(N3CCN(c4nc(C)cc(C)n4)CC3)ncnc2s1 808335 PHGIVEZXKSWPSE-UHFFFAOYSA-N 354.483 2.987 0 50 FFAA COc1cccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1 827509 DMTPTVOWDLPMOX-UHFFFAOYSA-N 362.451 2.717 0 50 FFAA O=C(CCc1ccccc1)NC(=S)Nc1ccc(N2CCOCC2)cc1 1126140 FRVZPWBXFGAJHP-UHFFFAOYSA-N 369.490 2.969 0 50 FFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 1148295 CSAKYWAGNGXDPB-UHFFFAOYSA-N 365.407 2.600 0 50 FFAA COc1ccc(S(=O)(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 1199195 AIMNPEHWZOGRPH-UHFFFAOYSA-N 352.500 2.580 0 50 FFAA Cn1cccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3=O)c1=O 2356138550 OGUCTNNWDHXJPO-JOCHJYFZSA-N 365.477 2.543 0 50 FFAA COc1c(S(=O)(=O)n2nnc3ccccc32)ccc(Cl)c1Cl 4269382 LVOCBNONDHULHX-UHFFFAOYSA-N 358.206 2.984 0 50 FFAA O=C(CC1=CSC2=NCCCN12)N1CCCC[C@H]1CCn1cccn1 102093274 AGVXMMGTDUQNRV-HNNXBMFYSA-N 359.499 2.694 0 50 FFAA Cc1ccc2[nH]c(=O)c(CN3CCC(C(=O)N4CCCC4)CC3)cc2c1 67676063 KRJPATUSFDDMII-UHFFFAOYSA-N 353.466 2.671 0 50 FFAA CC[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O 56875015 AOPOCGPBAIARAV-OTBJXLELSA-N 350.455 2.905 0 50 FFAA endogenous,investigational Cc1n[nH]c(C)c1C[C@H](C)N1CCC(n2cc(-c3ccccn3)nn2)CC1 20905642 NHROXXYFFGZHGQ-AWEZNQCLSA-N 365.485 2.948 0 50 FFAA O=C(NCc1noc(C2CC2)n1)c1coc(COc2ccc(F)cc2)n1 67908665 IQEYYYUMYDYDNM-UHFFFAOYSA-N 358.329 2.583 0 50 FFAA CC(C)n1cnnc1CN(C)C(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 67982461 PGIOFIWPVSYAGD-AWEZNQCLSA-N 356.348 2.570 0 50 FFAA C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1ccc(CN)o1 237683024 LBLDGTHIRVYPIW-HOTGVXAUSA-N 355.482 2.967 0 50 FFAA Cc1ccc(-n2nc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4)c3c2CCC3)cc1 129124642 ORIJQFFGTSVFIY-XYPWUTKMSA-N 350.466 2.682 0 50 FFAA CCn1ncc(Br)c1C(=O)N[C@@H](Cn1cccn1)C(C)(C)C 2780649 XQYVIRZPUTVMFT-LBPRGKRZSA-N 368.279 2.707 0 50 FFAA COC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)Nc1ccccc1NC2=O 77438032 UMEMSXKPASXOJB-GOSISDBHSA-N 365.433 2.800 0 50 FFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)C1CCN(C2CCCC2)CC1 219714680 LHRKRMUMXLDLTG-WOJBJXKFSA-N 364.530 2.731 0 50 FFAA O=C([C@H]1CCc2ccccc2O1)N1CCC(OCc2ccccn2)CC1 219940574 SIAQDGNPTQWDMM-HXUWFJFHSA-N 352.434 2.983 0 50 FFAA Cc1ccc([C@@H]2CN(S(=O)(=O)Cc3ccccc3)C[C@H]2N(C)C)cc1 77419592 RJEONGRQBFDZSL-VQTJNVASSA-N 358.507 2.854 0 50 FFAA COCc1ccc(CN2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)o1 39454994 YRUQVUXCETYVBB-GOSISDBHSA-N 374.481 2.503 0 50 FFAA COc1ccc(F)c(F)c1C(=O)N1CCN(Cc2cccc(C)c2)C(=O)C1 77406328 VMCQWOUZOHAPQR-UHFFFAOYSA-N 374.387 2.766 0 50 FFAA CCCN1C(=O)CC[C@H]2CN(c3ccc(-c4nc(C)no4)cn3)CC[C@H]21 72463275 FYFGYUMYYBWAKD-JKSUJKDBSA-N 355.442 2.667 0 50 FFAA C[C@@H]1C[C@H](c2cccs2)CN1C(=O)Cc1ccc(-n2cnnn2)cc1 370998793 KPFBLPWQXUCBOF-HIFRSBDPSA-N 353.451 2.671 0 50 FFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 376046963 WHMSYGUANJMIQT-AWEZNQCLSA-N 350.422 3.062 0 50 FFAA O=C(c1ccc[nH]1)N1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 77470580 NIIHLIAJUVQNIW-UHFFFAOYSA-N 368.485 2.557 0 50 FFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccc(-c3cccnc3)cc1)C2 72421359 RVNJYYYHTCZQOP-UHFFFAOYSA-N 362.433 2.978 0 50 FFAA CC(C)(O)CCc1cccc(C(=O)NCc2ccc(-n3cncn3)cc2)c1 72410417 WFQNOCWPXAEMEX-UHFFFAOYSA-N 364.449 2.901 0 50 FFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1csc(Cc2ccccc2)n1 220537500 YZPNRPIBWAODQH-JFTQMJAMSA-N 358.463 2.514 0 50 FFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 136310799 WJXCEOWPDQWNCA-CWLKWCNXSA-N 370.449 2.998 0 50 FFAA Cc1cc2nc(CCC(=O)NCc3nc(C(F)(F)F)n[nH]3)[nH]c2cc1C 426376303 JOXDEKVNTWBRNK-UHFFFAOYSA-N 366.347 2.566 0 50 FFAA COCc1noc(CCNC(=O)c2cccc(Oc3ccccc3)c2)n1 222565825 DPTWKGPUVKMBTO-UHFFFAOYSA-N 353.378 2.981 0 50 FFAA CCOC(=O)N1CCN(CC(=O)N2c3ccccc3C(C)=CC2(C)C)CC1 226075227 LLVBITLVGLVTKP-UHFFFAOYSA-N 371.481 2.989 0 50 FFAA CCc1ccc(CN2CCc3c(C(=O)NCCOC)csc3C2)nc1 426511547 CVQRQQVVUVOFFR-UHFFFAOYSA-N 359.495 2.640 0 50 FFAA CCc1cc(CN(C)C(=O)N[C@H](CCn2cncn2)c2ccccc2)on1 426632882 NDKUXDGZBCZPQM-GOSISDBHSA-N 368.441 2.802 0 50 FFAA Cc1cc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc(C(C)C)n1 95517567 SREVVDWFSIMFML-GOEBONIOSA-N 371.510 2.992 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccccc2)nn1C 91644525 NWXPRWYFXGWMBT-KRWDZBQOSA-N 354.454 2.560 0 50 FFAA C[C@@H](CC(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc(C(F)(F)F)cc1 237335552 WGVZSJSKMQQKSZ-SMDDNHRTSA-N 359.344 2.901 0 50 FFAA CCCc1cnc(C)nc1N1C[C@H]2COc3ccccc3C[C@@]2(CO)C1 95377196 SALZHSTXTZDSSE-RXVVDRJESA-N 353.466 2.788 0 50 FFAA Nc1cc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)ncn1 95375635 NEWACLHNUHYGNP-QPJJXVBHSA-N 363.465 2.591 0 50 FFAA Cc1cccc2c(=O)c(C(=O)N3CCC[C@@](CO)(CC4CC4)C3)c[nH]c12 91643806 RZCRPLRXBKFVLJ-OAQYLSRUSA-N 354.450 2.851 0 50 FFAA COc1ccc(/C=C/CN2CCN(Cc3ccccc3)C[C@H](O)C2)cc1 95504962 REQCMMORJPJMFO-WKOQKXSESA-N 352.478 2.887 0 50 FFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)cc1 239046424 FQZKXWBUGCXTRW-NQLMQOPMSA-N 355.390 2.571 0 50 FFAA Cn1c(CN2CCC3(CCC(=O)N(CCO)C3)CC2)cc2cc(F)ccc21 91518774 VMVRSTJBGDGMCP-UHFFFAOYSA-N 373.472 2.514 0 50 FFAA COCCc1noc([C@H]2CCCN(c3nc(C)nc4ccsc34)C2)n1 91476705 LZZCJYWQDVOCIS-LBPRGKRZSA-N 359.455 2.956 0 50 FFAA CCCCn1ccnc1C1CCN(C(=O)[C@@H](CC)N2CCOCC2)CC1 91636651 QKJIRIWEDXPPKT-GOSISDBHSA-N 362.518 2.500 0 50 FFAA Cc1oc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1C(=O)O 268944507 VSSOSXBMFUCDEA-UHFFFAOYSA-N 356.378 2.685 0 50 FFAA CC(C)c1nc(CN2C[C@H]3CN(C4CCCCC4)C[C@@]3(C(=O)O)C2)co1 96140955 CRULKAANUCMDRG-YWZLYKJASA-N 361.486 2.949 0 50 FFAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccnc(N2CCCCC2)c1 182487132 QFYPGDKNPSFOEU-IAGOWNOFSA-N 351.516 2.517 0 50 FFAA CN(Cc1cc(C2CC2)on1)C(=O)CN1C[C@H](Cc2ccccc2)CC1=O 95526940 DBVXYWWTIJQKQC-MRXNPFEDSA-N 367.449 2.602 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 244899935 ZTGMGWOJQQJMHE-INIZCTEOSA-N 369.465 2.892 0 50 FFAA COc1ccc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)c(OC)c1 243900945 AXVAKKRUDXNBNV-GPMSIDNRSA-N 355.434 2.816 0 50 FFAA Cc1noc([C@@H]2CCCCN2CCN2CCN(c3ccccc3)CC2)n1 244900185 ZXTCIBYBLGEPEP-IBGZPJMESA-N 355.486 2.727 0 50 FFAA COCCc1noc([C@@H]2CCCN2Cc2cc(-c3cccnc3)no2)n1 244724316 MRTFMEXKTXGKOR-INIZCTEOSA-N 355.398 2.646 0 50 FFAA COc1cncc([C@H](NC(=O)Cc2csc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)c1 244873001 WIEYCZGNFSACCK-FRIZHTMISA-N 374.462 2.525 0 50 FFAA Cc1oc2c(c1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)C(=O)CCC2 244724751 NABICMAUPUOFAE-IMJJTQAJSA-N 368.433 2.614 0 50 FFAA CSCC[C@H](CO)NC(=O)c1cc(C)nc2c1cnn2C1CCCC1 252482058 CXGLJBZDRDIRHL-CYBMUJFWSA-N 362.499 2.699 0 50 FFAA CN(Cc1noc(C2CCCC2)n1)C(=O)NC1(CN2CCCCC2)CC1 534650543 JUHZEFVXIGKRBJ-UHFFFAOYSA-N 361.490 2.887 0 50 FFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ocnc3C)C2)CC1 55253367 BVKPCPWJACJOKU-SFHVURJKSA-N 368.481 2.718 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12 299801169 VHOOSIDHLWAZAG-OAQYLSRUSA-N 367.449 2.761 0 50 FFAA O=C([C@H]1COc2ccccc2O1)N1CCC2(CC1)OCCc1ccsc12 487325799 NPJYLCNQERTCGB-QGZVFWFLSA-N 371.458 2.979 0 50 FFAA Cc1cccc(NC(=O)CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c1 828066232 WUUCITOGAMCKFP-LJQANCHMSA-N 357.429 2.882 0 50 FFAA CC(C)(C)c1cc(C(=O)NCc2noc(-c3cccs3)n2)nc(O)n1 670452470 WBFVVLMXAHWDML-UHFFFAOYSA-N 359.411 2.521 0 50 FFAA COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)c1 71297251 IIJMJFXYHGXUDK-BZNIZROVSA-N 350.422 2.911 0 50 FFAA COc1cccc(C(C)(C)C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)c1 1875393564 OSLKEQDQLITOLP-KBMIEXCESA-N 364.511 2.883 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1 1875373904 UDVHQDDPBBBPJI-MRXNPFEDSA-N 354.381 2.708 0 50 FFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CN[C@@H]2CCOC[C@H]2C1 1875305036 CXCYWXHTVYHOHG-SQWLQELKSA-N 356.388 2.678 0 50 FFAA CN1CCCN(c2ccc(NC(=O)[C@@H](N)Cc3cccs3)cc2)C1=O 1875318378 HZGXXUICXOCQPV-INIZCTEOSA-N 358.467 2.519 0 50 FFAA CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](NC(=O)c2cncc(OC)c2)CC[C@@H]1C 1875406842 NIOUJPNFSGTXOZ-ISNZEAQHSA-N 359.470 2.636 0 50 FFAA CCC[C@H](CNCc1ccc(OCCN(C)C)c(OCC)c1)N(C)C 952871872 DEAUCJIXGIFGQZ-GOSISDBHSA-N 351.535 2.846 0 50 FFAA COCCCn1cnnc1CNc1nc2c(c(C(F)(F)F)n1)CCCC2 952967942 MGVUILHIYMQBDQ-UHFFFAOYSA-N 370.379 2.614 0 50 FFAA CCNC(=O)N1CCC(NC(=O)c2cc(C)nc3cc(F)ccc23)CC1 952871800 BSDAHLRIXFNHPW-UHFFFAOYSA-N 358.417 2.606 0 50 FFAA CC(C)[C@H]1CN(C(=O)c2csc3c2CCCC3)C[C@@H]1NC(=O)N(C)C 1565507549 MWAZUWXSCXUEAC-ZBFHGGJFSA-N 363.527 2.995 0 50 FFAA Cc1noc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)c1C 273478509 PYRFDOARJIGOOL-UHFFFAOYSA-N 373.228 2.790 0 50 FFAA CC1=C(C(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)CCCO1 275682550 QGZLQBXYXWQUAK-MRXNPFEDSA-N 357.454 2.746 0 50 FFAA C[C@H](OC[C@@H]1CCCCO1)C(=O)NCC1(C)CN(Cc2ccccc2)C1 170601702 MRGKAQJTYZKFFI-HKUYNNGSSA-N 360.498 2.599 0 50 FFAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1C[C@@H]1c1c(F)cccc1F 170644399 AYRQSAUJJWLZRS-WDEREUQCSA-N 364.421 2.642 0 50 FFAA Cc1occc1C(=O)NC1CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 171015551 RTSFOSAJWIXIMK-IBGZPJMESA-N 369.465 2.612 0 50 FFAA O=C(NCc1cccnc1OC1CCCC1)[C@H]1COCCN1CC1CCC1 187267840 HHEBDJUBXULOLE-LJQANCHMSA-N 373.497 2.520 0 50 FFAA CCN(CC)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)ncn2)cn1 110215443 NELNRBMSZXEZFA-KRWDZBQOSA-N 370.501 2.539 0 50 FFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c1C 413929100 DCANSVLDAUNYCN-HOTGVXAUSA-N 356.422 2.756 0 50 FFAA Cc1cccc(OC[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)c1 1506398443 CWAMZVKYEIMJNF-INIZCTEOSA-N 357.454 2.659 0 50 FFAA CC(C)C1=NO[C@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 1506408253 WLUUIPDXAALVHP-FQEVSTJZSA-N 355.482 2.837 0 50 FFAA CO[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1Cc1cc(C)no1 1529155774 ZVJOWLLMJOCSFV-UZLBHIALSA-N 370.428 2.997 0 50 FFAA COc1c(Cl)cc(Cl)cc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529173492 WXSDDENRVGPQDM-BDJLRTHQSA-N 368.264 2.827 0 50 FFAA Cc1ccc(CN(C)C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)o1 1529099852 FMECCBUMQVVHHC-UXHICEINSA-N 370.449 2.924 0 50 FFAA O[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@H]1Cc1ccnc2ccccc12 1704302900 FCGQWBYIDIUKJW-QAPCUYQASA-N 350.422 2.531 0 50 FFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)Cc1c(F)cccc1Cl 1704325019 IWWBABFVBSMLQW-UHFFFAOYSA-N 352.841 2.644 0 50 FFAA COc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3c3ccccc3)C2)cc1C 1616073943 RMNMKTHTAIWPJW-PMACEKPBSA-N 366.461 2.902 0 50 FFAA Cc1ccccc1CN(C(=O)c1cnc(C(N)=O)cn1)C1CCCCC1 1772700550 GSXKFGFFDQOOQO-UHFFFAOYSA-N 352.438 2.859 0 50 FFAA O=C(c1ccccc1OC(F)F)N1CCCN([C@H]2CCSC2)CC1 1772815388 KHQWEBAXCOIDTO-ZDUSSCGKSA-N 356.438 2.941 0 50 FFAA CC(C)N1C[C@@H](CN2CCN(c3ccc(F)cc3F)CC2)CCC1=O 1775983150 ICPQEIUHJNBWRN-OAHLLOKOSA-N 351.441 2.734 0 50 FFAA O[C@H](CNC1CCCC1)COc1c(F)cc(Br)cc1F 5050185 XCYFHAWODUVFHJ-LLVKDONJSA-N 350.203 2.999 0 50 FFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(Cc2ccccc2)=NO1 12053201 RTSICOKOQFFNET-ROUUACIJSA-N 358.438 2.708 0 50 FFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C2CCSCC2)CC1 12203546 MRAPKIWZCQUQTM-LJQANCHMSA-N 367.603 2.975 0 50 FFAA Cn1c(Cc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 13571344 WFALWDYWACFNJN-UHFFFAOYSA-N 363.446 2.935 0 50 FFAA CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860653 MHEFZXPQAGQAPT-ZFWWWQNUSA-N 372.918 2.797 0 50 FFAA CCC[C@@H](CC)CCN1C(=N)N(S(=O)(=O)c2ccc(C)cc2)CC1=O 19893635 ZATMRPGCMMJVTQ-OAHLLOKOSA-N 365.499 2.979 0 50 FFAA Fc1cccc(CN2CCCN([C@H]3CCOC4(CCNCC4)C3)CC2)c1 1857670202 ATMBQMXLWJQTKD-FQEVSTJZSA-N 361.505 2.635 0 50 FFAA CCCN1C[C@H](C(=O)O)C2(CCN(Cc3cccc(F)c3F)CC2)C1 1857685058 BESCDGWWRDLPCB-OAHLLOKOSA-N 352.425 2.973 0 50 FFAA COc1ccc2cc(-c3nccn3[C@H](C)c3n[nH]c(C)n3)c(O)nc2c1 1857689024 BTTWKQSGTZEHKO-SNVBAGLBSA-N 350.382 2.848 0 50 FFAA Cc1ccoc1C(=O)N1CCC2(CC1)CC(=O)N(CC1CCC1)CCO2 1857689345 NVTZGTBMETUZQC-UHFFFAOYSA-N 360.454 2.612 0 50 FFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3cc(OC)c4c(c3)OCO4)CC2)O1 1857701259 KEEKMRZIGZYFQB-CVEARBPZSA-N 363.454 2.708 0 50 FFAA CCCC(=O)NC[C@H]1[C@H]2CN(C(=O)c3cccc(F)c3C)C[C@]23CC[C@H]1O3 1857718786 SSSODOXZODRGIC-LTVCHDBBSA-N 374.456 2.670 0 50 FFAA COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2nc3ccccn3c2C)C1 1857734309 OWYGZVCDEXZTOW-OAQYLSRUSA-N 363.417 2.600 0 50 FFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CCC(=O)O)C2CCOCC2)c1 408513302 NIXMZINVZDXIMI-CYBMUJFWSA-N 369.845 2.898 0 50 FFAA O=C1COc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)ccc2N1 122457266 SKXLBCSMZAUDEI-MRXNPFEDSA-N 365.433 2.868 0 50 FFAA C[C@H](C(=O)NCc1ccsc1Br)n1nnnc1C(C)(C)C 330428534 JWJNDDHPIUSITF-MRVPVSSYSA-N 372.292 2.672 0 50 FFAA COc1cc([C@H](C)N[C@@H]2C[C@@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)ccc1F 903114787 HAJAVNDHTDTAQV-UNASGJGJSA-N 350.478 2.965 0 50 FFAA COc1cccc(CN2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)c1F 1704310792 SSMBIDHCJWEHIE-WIYYLYMNSA-N 373.424 2.715 0 50 FFAA Cc1ccccc1CS(=O)(=O)N1Cc2ncccc2N2CCC[C@H]2C1 908255286 UTSSYFNXYYPNSW-KRWDZBQOSA-N 357.479 2.704 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)Cn3cc([C@@H]4CCOC4)cn3)cc2)c1C 2325773528 QJJYKHDCOKBTFD-MRXNPFEDSA-N 365.437 2.828 0 50 FFAA Cc1nc(C2CCNCC2)[nH]c1C(=O)NCc1cnc2c(F)cccc2c1 2325786467 NMXBCGNJWREEIN-UHFFFAOYSA-N 367.428 2.802 0 50 FFAA Cc1cncc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)c3ncccc3C)C2)c1 2325786965 NZKHFLSCOMPRJA-IRXDYDNUSA-N 366.465 2.764 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 810049 GTKWFNPHUOEPMA-INIZCTEOSA-N 365.433 2.515 0 50 FFAA COc1cnccc1-c1ccc(C(=O)NCCCc2cnn(C)c2)cc1 2356162862 RUDHIMPDEJUOKX-UHFFFAOYSA-N 350.422 2.853 0 50 FFAA CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)c1cccc(F)c1 2857973 CWFMBFDXJSWWHW-UHFFFAOYSA-N 354.447 2.598 0 50 FFAA O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 2890063 OJTPSWWTNFEMPJ-GFCCVEGCSA-N 362.794 2.857 0 50 FFAA COc1ccc(-c2n[nH]cc2CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cc1 2356170135 WMGGSADBPFDTPQ-JZXOWHBKSA-N 368.481 2.774 0 50 FFAA CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 4258277 ARZKVNRRXHWQDS-UHFFFAOYSA-N 354.410 2.612 0 50 FFAA O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680464 KXFLGFJAJAIEEO-UHFFFAOYSA-N 366.464 2.881 0 50 FFAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 10302308 BBNSFWTWNNTBJO-LLVKDONJSA-N 364.389 2.706 0 50 FFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Br)n1 9143560 PRPVLRMQLFERDK-UHFFFAOYSA-N 354.229 2.572 0 50 FFAA CCOC(=O)CNc1cccc(C(=O)NCc2snnc2C(C)C)c1 55198503 CZJIPLYQMWJHTI-UHFFFAOYSA-N 362.455 2.567 0 50 FFAA COc1ccc2oc(CN[C@H]3CCCN(c4nccnc4O)C3)cc2c1 328629039 HVJABXBHAQJFIL-AWEZNQCLSA-N 354.410 2.696 0 50 FFAA Cn1ccnc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)C2)c1=O 328633750 MGNGRGVNTUIXEJ-IPMKNSEASA-N 370.472 2.814 0 50 FFAA CC(=O)N1CCn2nc(C(=O)N3CCC[C@@H]3c3ccccc3C)cc2C1 65383123 WZBCEASRQITMQS-LJQANCHMSA-N 352.438 2.531 0 50 FFAA O=C(NCc1nc[nH]n1)c1csc2nc(-c3ccc(Cl)cc3)cn12 67834331 YZQVYMNGUJVVKJ-UHFFFAOYSA-N 358.814 2.764 0 50 FFAA O=C(NCCSc1cn[nH]n1)c1csc2nc(-c3ccccc3)cn12 67894977 LGRFLJPJXLEEEX-UHFFFAOYSA-N 370.463 2.703 0 50 FFAA Cc1nc(-c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)cs1 283030936 PAPQZVBDINHPLL-UHFFFAOYSA-N 365.462 2.871 0 50 FFAA O=C(NC[C@H]1CCOC1)c1cc(COc2cccc3cnccc23)on1 67871644 KETMZUBIJIYMPK-CYBMUJFWSA-N 353.378 2.568 0 50 FFAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(-c2cccs2)on1 328996950 WOWYCTXMVZZEDZ-CYBMUJFWSA-N 358.423 2.957 0 50 FFAA O=C1c2ccccc2S(=O)(=O)NN1CCOc1cccc2ccccc12 121452754 BGQOAFQPCGBCOX-UHFFFAOYSA-N 368.414 2.568 0 50 FFAA CCn1nc(C)c(CN2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)c1C 23359265 LZCXUZZHMBUFBX-NRFANRHFSA-N 370.541 2.897 0 50 FFAA C[C@H](C(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1cccnc1 173369878 OADFZFXPDPDGEO-AWEZNQCLSA-N 351.406 2.727 0 50 FFAA CC[C@H](C(=O)N1CCC[C@H](C)C1)N(c1ccccc1F)S(C)(=O)=O 67612674 NRDPCIJTOIDLAM-DZGCQCFKSA-N 356.463 2.629 0 50 FFAA COc1ccc2c(C)c(CC(=O)NCc3c(C)noc3C)c(=O)oc2c1 67975841 GMYMPGRDBVNEEV-UHFFFAOYSA-N 356.378 2.574 0 50 FFAA CCN(CC)[C@@H](Cn1cnc2sc3c(c2c1=O)CCNC3)c1ccco1 65373590 RVVXHKSLDMZUHG-AWEZNQCLSA-N 372.494 2.780 0 50 FFAA COc1ccc(OCCNC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20653801 HCSGELPMTGMWAA-UHFFFAOYSA-N 369.465 2.601 0 50 FFAA Cn1nc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c2c1CCCC2 333486072 QCUUKSZPYFTLKF-SJLPKXTDSA-N 359.857 2.900 0 50 FFAA CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C[C@@H](C)O)CC1 284642962 UVXBVBJYEDEADB-CYBMUJFWSA-N 353.894 2.995 0 50 FFAA Cc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1C 33088122 VUBQONVGSCCJPZ-HNNXBMFYSA-N 373.420 2.709 0 50 FFAA Cc1cnc(CN2C[C@@]3(CCCN(c4ncccc4F)C3)CCC2=O)cn1 77407908 XDBVHNRBQWKUQZ-FQEVSTJZSA-N 369.444 2.728 0 50 FFAA CCn1nc(C)c(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1C 71416374 OCZPAJKQYHEFTL-QGZVFWFLSA-N 360.502 2.629 0 50 FFAA CN(C)CCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77525563 JMUMCUIHVGNYHG-UHFFFAOYSA-N 371.872 2.970 0 50 FFAA CNc1nc(C)c(C(=O)N2C[C@@H](NC(C)=O)[C@H](c3ccc(C)cc3)C2)s1 77437882 RPAOAQCYZHQEGE-JKSUJKDBSA-N 372.494 2.546 0 50 FFAA Cc1ccc(C)c(CNc2ncc(S(C)(=O)=O)c([C@@H]3CCCNC3)n2)c1 72418376 VDFIRINLSYRQNN-OAHLLOKOSA-N 374.510 2.576 0 50 FFAA Cc1nc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)oc1C 252512758 VIKHDVAWGMWYQB-OAGGEKHMSA-N 355.442 2.535 0 50 FFAA COc1cccc(S(=O)(=O)CCN2C[C@@H](C)C[C@H]2c2cccnc2)c1 252550383 SMXXQSGCEUQKTC-KXBFYZLASA-N 360.479 2.947 0 50 FFAA Cc1noc(C)c1CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72172995 MPCNWMYZAMOWAY-LJQANCHMSA-N 353.466 2.536 0 50 FFAA Cc1nnc(COCC(=O)N2C[C@H](C)Oc3c(Cl)cccc32)s1 286146728 ZGFYTTWNPFDXAB-VIFPVBQESA-N 353.831 2.831 0 50 FFAA O=C1CN(Cc2ccc3nsnc3c2)CCN1Cc1cccc(F)c1 72171249 FQAMYHVPHSTCNX-UHFFFAOYSA-N 356.426 2.675 0 50 FFAA Cc1cc(N2CCC(c3nnc(CN4CCCCC4)n3C)CC2)ccn1 77303732 FWHXZAKLKJSFLL-UHFFFAOYSA-N 354.502 2.888 0 50 FFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@H]1CCS(=O)(=O)c2ccccc21 375204440 AOFHUGNUEJSBJG-KRWDZBQOSA-N 367.430 2.976 0 50 FFAA Cc1ccc2oc(=O)n(CC(=O)N(C)Cc3n[nH]c4c3CCCCC4)c2c1 426423853 YWHIKFYWZDXEMC-UHFFFAOYSA-N 368.437 2.554 0 50 FFAA CC(C)(C)NC(=O)c1ccc(-c2cncc(C(=O)N3CCCC3)n2)cc1 426445629 PENORNPIAZRPQX-UHFFFAOYSA-N 352.438 2.908 0 50 FFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1cc(F)ccc1OCCN 426739680 HFTRXOFBBJQUPI-AWEZNQCLSA-N 360.429 2.875 0 50 FFAA CCn1c(C)cc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1C 91445286 GXQVDTGOTJSDNA-UHFFFAOYSA-N 355.482 2.962 0 50 FFAA Nc1ncc(C(=O)NC[C@@H]2COc3ccccc3C2)c(-c2ccccc2)n1 95517243 MPROMKTXALMEQX-CQSZACIVSA-N 360.417 2.707 0 50 FFAA CN1CCN(C2(CNC(=O)c3ccc4ccn(C)c4c3)CCCCC2)CC1 97155605 ZNWKVVBOBWUTAC-UHFFFAOYSA-N 368.525 2.858 0 50 FFAA O=C(NC1CCCCC1)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1 91460026 TWTGHXFQJMTAMY-FQEVSTJZSA-N 363.502 2.522 0 50 FFAA CCc1cc(N2CCC(NC[C@@H]3COc4ccccc4O3)CC2)nc(C)n1 95499155 OOIDTZZGVGWYLK-GOSISDBHSA-N 368.481 2.746 0 50 FFAA O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCCCn2nnnc21 97711734 YCNLOBJNDIXNRL-CQSZACIVSA-N 365.890 2.644 0 50 FFAA Cc1cc(CN(C)[C@@H](C(=O)O)c2ccc(NC(=O)N3CCCC3)cc2)on1 95384271 ZJARFEGWNVPPCX-QGZVFWFLSA-N 372.425 2.868 0 50 FFAA Cc1nc2ccccc2n1CC(=O)N1CCC(OCc2cccnc2)CC1 95392236 XDRFYAYODLKDKL-UHFFFAOYSA-N 364.449 2.948 0 50 FFAA O=C(CN1CCCCCCC1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91650164 SUZFCZWZZBNEQE-LEWJYISDSA-N 370.541 2.771 0 50 FFAA CCCc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n[nH]1 91626333 HSNCRFHOPJFICZ-UHFFFAOYSA-N 352.482 2.678 0 50 FFAA CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 239125169 KAOLESZIOVMZBK-GWZLXJJCSA-N 357.406 2.636 0 50 FFAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)C1CCS(=O)(=O)CC1 91547930 DNPIYPSXYCLTPL-CQSZACIVSA-N 361.463 2.643 0 50 FFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 248015851 KYNBIPGSWHHCJK-MORSLUCNSA-N 374.437 2.782 0 50 FFAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 182951744 KBTQJMZYDWZCLY-KDOFPFPSSA-N 373.478 2.778 0 50 FFAA CNC(=O)c1cccc(NC(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c1 183239630 ZJIRFMHKJONYOG-QGZVFWFLSA-N 357.385 2.871 0 50 FFAA COCCN1CCC[C@H](CNC(=O)c2cccc(-c3cccnc3O)c2)C1 299783103 FDCCVSDYNFJKKI-MRXNPFEDSA-N 369.465 2.542 0 50 FFAA COc1ccc2[nH]c(CCN(C)C(=O)CCc3c(C)nn(C)c3C)nc2c1 299778610 QTIFDJFEXYIGMM-UHFFFAOYSA-N 369.469 2.556 0 50 FFAA CSc1ccccc1C(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 299801354 WGIMXMJFMKJJKU-UHFFFAOYSA-N 372.494 2.533 0 50 FFAA COc1nc(-c2cccc(C(=O)N[C@H](C)Cc3cccs3)c2)nn1C 299795884 MSPBBWFNQCHVKH-GFCCVEGCSA-N 356.451 2.913 0 50 FFAA CCc1nnc(CN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C(C)C)o1 299783507 ZUNURNJJDZNDDV-UHFFFAOYSA-N 356.430 2.651 0 50 FFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1ccccc1N1CCOCC1 823640534 YFWGMBIIHJSSCB-FQEVSTJZSA-N 354.450 2.719 0 50 FFAA Cc1nc(-c2ccc(C(=O)NCCc3nc4c(s3)CCC4)cc2)n(C)n1 584900151 VEIOFRDHOPFQPH-UHFFFAOYSA-N 367.478 2.708 0 50 FFAA O=c1c2sc(-c3ccccc3)cc2ncn1C[C@@H]1CCCN(CCO)C1 584889788 WUGKABLTNGVNOY-OAHLLOKOSA-N 369.490 2.829 0 50 FFAA Cc1nnc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 185418421 GNSXHRCJOPKJMB-LLVKDONJSA-N 367.272 2.618 0 50 FFAA Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 1875392184 WRNDXLVTJNDQAL-VFPIZLKKSA-N 372.266 2.741 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NC1CC2(CCC(CO)CC2)C1 1875314828 VECZDXZTSJSCLU-CGPGXKHDSA-N 361.486 2.503 0 50 FFAA C=CC(=O)N1CCC(C(=O)Nc2nc(Br)c(C)s2)CC1 1875382840 UAVLPPSBBWVSEK-UHFFFAOYSA-N 358.261 2.577 0 50 FFAA O=C(N[C@@H]1CN(C(=O)c2ccnn2C2CCC2)[C@@H]2CCCC[C@@H]12)C1CC1 1875407965 LDBMKPHHOURATL-GVDBMIGSSA-N 356.470 2.518 0 50 FFAA O=C(NC[C@H]1CC2(CCNCC2)CO1)c1cccc(C(F)(F)F)c1F 877337778 WWZXQBQKOTYOCY-LLVKDONJSA-N 360.351 2.733 0 50 FFAA COc1cc2c(cc1CNC(=O)CN1CCOc3ccccc3C1)CCC2 952967680 KRSOGBILFOIRKD-UHFFFAOYSA-N 366.461 2.695 0 50 FFAA CCc1c(C)nn(CC(=O)Nc2ccc(CC(=O)NC3CC3)cc2)c1C 952981296 LPGCBAZKJKYNSZ-UHFFFAOYSA-N 354.454 2.522 0 50 FFAA Cn1ccnc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1CC1(c2ccccc2)CC1 886093436 PUXGMVGIHHMCDQ-RDJZCZTQSA-N 353.422 2.516 0 50 FFAA CC(C)c1csc(C(=O)N2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)n1 1565515405 UFDTWSSIRIIMLV-DJJJIMSYSA-N 372.446 2.970 0 50 FFAA COc1ccc([C@H](CNCc2cnn3ccccc23)N2CCOCC2)cc1 171761921 HLAPGTXJCWQFIM-NRFANRHFSA-N 366.465 2.506 0 50 FFAA CN1CCO[C@@H]2CN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)C[C@@H]21 412428463 YYRIJVLBGWENDQ-DLBZAZTESA-N 350.890 2.840 0 50 FFAA O[C@@H](CN1CCC(c2nnc3ccccn23)CC1)c1ccc(F)c(F)c1 112337724 NJMSFLSJBJDPED-KRWDZBQOSA-N 358.392 2.921 0 50 FFAA O=C1N[C@@H](CCc2ccccc2)C(=O)N1CCc1ccc2c(c1)CCO2 189819573 HTWNBEZBRYKJOH-SFHVURJKSA-N 350.418 2.717 0 50 FFAA CN(C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl)C(C1CC1)C1CC1 1529168866 OQGZNNKDZGRVQL-AEFFLSMTSA-N 362.857 2.543 0 50 FFAA Cc1ccc(C2(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)CC2)cc1 1772702933 XNUGSRHCLJAIMM-UHFFFAOYSA-N 352.434 2.994 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1 5388861 KZTHEFDDYWFACR-UHFFFAOYSA-N 353.353 2.697 0 50 FFAA COc1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[nH]c2=S)cc1 5447915 CMKHWWKMFIZNGP-UHFFFAOYSA-N 365.418 2.697 0 50 FFAA COC(=O)[C@]1(C)C[C@H]2CC(C)=CC(=O)[C@@]2(S(=O)(=O)c2ccccc2)C1 5791624 OZIVKTWVKQVJMR-NIKGAXFTSA-N 362.447 2.708 0 50 FFAA O=C(NC[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1)c1ccco1 11958125 JREYTTZWYORCFR-JIIJFUIFSA-N 374.462 2.722 0 50 FFAA CCn1ccnc1CN(C)c1nc2nonc2nc1NCc1cccs1 12439033 ITPJDFXHNJEANJ-UHFFFAOYSA-N 370.442 2.539 0 50 FFAA O=C(NCC(F)(F)F)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12588456 UGWGDTJOMSDJGE-GFCCVEGCSA-N 362.779 2.800 0 50 FFAA Cn1cc(CN2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cn1 12707980 HUIGJTSFDVHXNO-UHFFFAOYSA-N 358.461 2.868 0 50 FFAA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)noc2n1 14259759 HLXPGFPMNZMCKA-UHFFFAOYSA-N 354.385 2.941 0 50 FFAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H](N1CCCCC1)C2 14534574 ONRWUTRULRJNKH-GOSISDBHSA-N 366.509 2.736 0 50 FFAA CSCC(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1 14969389 IHLQHTCKQBUFHR-FQEVSTJZSA-N 360.523 2.823 0 50 FFAA Cc1ccc(CNC[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)o1 15073263 PPXFIRDDDDPRPY-IBGZPJMESA-N 364.392 2.510 0 50 FFAA CN1CCCC[C@@H]1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857679707 REHNVWDKSWAOME-QGZVFWFLSA-N 352.482 2.878 0 50 FFAA O=C(O)[C@@H]1CN(CC2CCCCC2)CC12CCN(Cc1cnc[nH]1)CC2 1857686078 GWUZTSNWHCKJQS-SFHVURJKSA-N 360.502 2.589 0 50 FFAA COc1ccc2ccc(OC)c(-c3nccn3[C@H]3CCNC[C@@H]3O)c2c1 1857728802 DWTPAAJGOKSZQO-IRXDYDNUSA-N 353.422 2.616 0 50 FFAA CC1(C)Cc2cc(S(=O)(=O)N3C[C@@H](CO)c4ccccc43)ccc2O1 432257570 KEGGYBVMJLZUTE-AWEZNQCLSA-N 359.447 2.685 0 50 FFAA CC[C@@H](c1ccccc1)c1nnc(NC(=O)N2C[C@H](O)C(C)(C)C2)s1 331493454 VQZSFIQGLLQWGQ-KBPBESRZSA-N 360.483 3.315 0 50 FFAA O=C(C[C@H]1CCOc2ccccc21)N1CCN(Cc2cccc(O)c2)CC1 130858943 ZIOXKGCKWVPVQY-GOSISDBHSA-N 366.461 2.993 0 50 FFAA C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2)N1C(=O)c2cccc3cccc1c23 2100545470 WSRBYTGDACLCQC-NXNVCVFFSA-N 364.445 2.950 0 50 FFAA C[C@H]1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21 2325730280 AZPNKYRBWAPOMD-YJBOKZPZSA-N 352.434 2.812 0 50 FFAA CO[C@@H](C(=O)Nc1cc(C(=O)O)ccc1N1CCCCC1)[C@@H]1CCCO1 2325812783 GYFMGUICKPOAPL-DLBZAZTESA-N 362.426 2.508 0 50 FFAA Cc1cc(C(F)(F)F)cnc1N[C@H]1CCN(c2ccc3nncn3n2)C1 865968835 XICCKJMQRAZWNN-LBPRGKRZSA-N 363.347 2.537 0 50 FFAA Cn1ccc(-c2cc(C(=O)N3CCN[C@H](c4ccc(Cl)cc4)C3)n[nH]2)c1 1454260867 AXCIMKSFSOFWHX-SFHVURJKSA-N 369.856 2.855 0 50 FFAA COc1ccc(OC)c([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 754302 IQTPIYGSTAUKJL-APWZRJJASA-N 352.390 2.873 0 50 FFAA biogenic COC(=O)c1ccc([C@H]2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)cc1 1068559 UWNZPTUIJSXBCF-CYBMUJFWSA-N 371.389 2.973 0 50 FFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N(C)Cc3ccccc3)C2=O)cc1 1465726 RSARICLQRSHYRN-SFHVURJKSA-N 366.417 2.627 0 50 FFAA COCCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2489023 YHJKHACEMKTHJL-UHFFFAOYSA-N 361.345 2.610 0 50 FFAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 2857284 AFWXPJXHTRBOAV-CQSZACIVSA-N 353.484 2.948 0 50 FFAA O=C(Nc1ccncc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 6704000 WCUKMZMAWSXHCX-OAHLLOKOSA-N 365.842 2.527 0 50 FFAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 10302274 JUHSOXWYGXELBD-JTQLQIEISA-N 365.282 2.994 0 50 FFAA CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1 136128674 KUPOLNRWQDQLLG-NSHDSACASA-N 352.818 2.871 0 50 FFAA COc1cccc(CN2CCN(CCc3ccccc3)C[C@@H]2CCO)c1 23360568 JTSDTENKAGUQJI-NRFANRHFSA-N 354.494 2.807 0 50 FFAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1 63833804 HRXFJWPBWOJKFQ-AWEZNQCLSA-N 351.406 2.624 0 50 FFAA CCn1c(O)nc2cc(C(=O)N3CC[C@H](C)C4(CCC4)C3)ccc2c1=O 329099851 DIQJOEMKQXNCQU-ZDUSSCGKSA-N 355.438 2.774 0 50 FFAA CC(C)(C)OC(=O)[C@](C)(O)CN[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230217058 BJOOBJUJSMSNNV-JPAWQOSXSA-N 374.525 2.579 0 50 FFAA Cc1ccc2oc(=O)n(CCC(=O)N3CC[C@@](C)(O)[C@@H](CC(C)C)C3)c2c1 67885442 QVHQMJXJAQLTGU-HRAATJIYSA-N 374.481 2.939 0 50 FFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cnn2c1CCCC2 127266304 NGGJPNGENUMJTJ-SFHVURJKSA-N 352.482 2.814 0 50 FFAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)cnn1-c1cccc(C(F)(F)F)c1 237755674 PXANDBHKTJCBCI-AWEZNQCLSA-N 367.327 2.889 0 50 FFAA COc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)c(OC)c1 39389209 ZKLAPPZKPWBVJJ-UHFFFAOYSA-N 359.455 2.856 0 50 FFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1N1CCCC1=O 130378774 RUAADFCZTSSTKD-AWEZNQCLSA-N 368.441 2.624 0 50 FFAA O=C(NCCn1cc(Br)cn1)c1cc(-c2cccs2)on1 2802136 CCHBIIZWMYYUBY-UHFFFAOYSA-N 367.228 2.792 0 50 FFAA COc1cc2ncn(Cc3cc(F)c(F)cc3F)c(=O)c2cc1OC 32587155 FNASQSITPCZJLG-UHFFFAOYSA-N 350.296 2.879 0 50 FFAA COc1ccc(C2(C(=O)N3CCC(n4cnnc4)CC3)CCCC2)cc1 216434934 DZIBAUDSMBATGA-UHFFFAOYSA-N 354.454 2.962 0 50 FFAA Cc1noc(C)c1CCC(=O)N1CCc2[nH]cnc2[C@H]1c1ccncc1 215272200 OGFZCPWKPMSVBX-LJQANCHMSA-N 351.410 2.516 0 50 FFAA Cn1cc(-c2csc(CNCc3ccc(N4CCCC4)nc3)n2)cn1 252551361 UCWXEAJMQQJXSX-UHFFFAOYSA-N 354.483 2.829 0 50 FFAA O=C(COc1ccccc1O)N1CCC(N2CCc3ccccc3C2)CC1 72473904 DQUCXIZDNNGCMX-UHFFFAOYSA-N 366.461 2.820 0 50 FFAA CN1CC2(CCN(C3CCN(CCc4ccccc4)CC3)CC2)OC1=O 72418583 REZDSTKVEZPNQK-UHFFFAOYSA-N 357.498 2.610 0 50 FFAA Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(C)C)c(C)c1 72437115 SRAWXCCPPZSHER-WMZOPIPTSA-N 366.527 2.788 0 50 FFAA COc1ccc(CC[C@@H]2CCCCN2C(=O)CCn2cncn2)cc1OC 363665024 GHLGAVPQFTZJKY-KRWDZBQOSA-N 372.469 2.699 0 50 FFAA CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc(-c3ncn[nH]3)c2)no1 154523792 BKNIONFKOBJSEL-CQSZACIVSA-N 352.398 2.955 0 50 FFAA Cc1cc(C)cc(N2CCN(C(=O)[C@@H]3Cc4cc(C)ccc4N3)CC2=O)c1 72478984 AKTADRUBNXVVNH-FQEVSTJZSA-N 363.461 2.824 0 50 FFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)c1 77385256 ZWXQGPREBFJLIW-QGZVFWFLSA-N 357.454 2.679 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)O)CO2 262968396 OMINAGBWVBGVDQ-WMLDXEAASA-N 369.417 2.748 0 50 FFAA Cc1cc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c2cccc(C)c2n1 72151741 GXWSXGISHCUMBP-FQEVSTJZSA-N 353.422 2.908 0 50 FFAA O=C(c1ccccc1[C@H]1CCNC1)N1CCN(Cc2cccc(F)c2)CC1 72447849 VKFHLHJEJVCVNO-SFHVURJKSA-N 367.468 2.861 0 50 FFAA C[C@]1(O)CCCN(Cc2ccc(OCCCN3CCOCC3)cc2)CC1 216204380 ZUPGPDCIGANGIM-NRFANRHFSA-N 362.514 2.525 0 50 FFAA Cc1ccc(-c2cc(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)[nH]n2)o1 82099848 XLQBYRQFHWVYDL-ZDUSSCGKSA-N 350.378 2.513 0 50 FFAA O=C(CCNC(=O)c1ccc(F)cc1)NCc1cnc2ccccc2c1 220120292 DMMSJUYKLJGGCL-UHFFFAOYSA-N 351.381 2.810 0 50 FFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCC(c2ccncc2)CC1 222356682 AELRCHMPVXCTHB-AWEZNQCLSA-N 354.406 2.984 0 50 FFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cnn(-c4ccccc4)c3)[C@H]2C1 426525804 DWNBKDYGWMOYRT-WSTZPKSXSA-N 355.438 2.671 0 50 FFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCn1nc(C)cc1C)CC3 426526066 KFIZKGBRJFQBFB-UHFFFAOYSA-N 367.453 2.758 0 50 FFAA Cc1ccccc1N1C[C@H](C)N(C(=O)COCc2ccccc2)CC1=O 82137331 PJNOSLPPDJTSAA-KRWDZBQOSA-N 352.434 2.776 0 50 FFAA COc1cccnc1CSc1nnc(CCN)n1-c1ccc(F)cc1 426477499 CJCWFJVIRPBYEJ-UHFFFAOYSA-N 359.430 2.604 0 50 FFAA Cc1nc2c(c(N3CCC4(CC3)C[C@@H](c3ccccc3)C(=O)N4)n1)CCC2 426707503 VGDOMIBWKFWYSU-SFHVURJKSA-N 362.477 2.916 0 50 FFAA CN1CC[C@@H](NC(=O)NCC2(O)CCCCC2)[C@@H](Cc2ccccc2)C1 426504401 BTZOHPLQWOQMBY-RBUKOAKNSA-N 359.514 2.544 0 50 FFAA COc1ccccc1CN(C)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1 95521416 XRUAZNIWOIWLEV-QGZVFWFLSA-N 354.406 2.847 0 50 FFAA O=C(O)c1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1Cl 238166578 MAKSACUCUSPAEE-UHFFFAOYSA-N 360.801 2.683 0 50 FFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cn4cc(Cl)ccc4n3)[C@H]2C1 426414437 PMDPLVGAXWAGBT-DHSIGJKJSA-N 363.845 2.786 0 50 FFAA COc1ccc(C)cc1NC(=O)N1CCC[C@@H](c2ccn(CCO)n2)C1 426389542 YSOBVJMZTVPWKJ-OAHLLOKOSA-N 358.442 2.604 0 50 FFAA CC(C)CC(=O)C(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 91596122 PWZCUJANJQXGKV-SFHVURJKSA-N 370.493 2.856 0 50 FFAA Cc1ccc([C@@H](C(=O)O)N2CCCN(Cc3ccccn3)CC2)c(F)c1 95380608 ZDVRSQYZEGNKJH-IBGZPJMESA-N 357.429 2.863 0 50 FFAA Cc1cccc(OCC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 95507204 FFXYSRGZPOLXEB-GOSISDBHSA-N 370.497 2.538 0 50 FFAA CC(C)n1ccnc1C1CCN(c2nccc(N3CCC(O)CC3)n2)CC1 95500957 WLLBEUAMUIHQAS-UHFFFAOYSA-N 370.501 2.599 0 50 FFAA CCN(CCO)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 91768895 NVSXTIPHOAKXNO-UHFFFAOYSA-N 370.405 2.870 0 50 FFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2cccnc2)nc1C 97307741 GVNOLVCALAKXBX-SFHVURJKSA-N 363.421 2.702 0 50 FFAA CC[C@H]1COCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)O 97259206 HSWSXIPDETXXJF-KRWDZBQOSA-N 356.422 2.823 0 50 FFAA COc1cncc([C@@H](NC(=O)Cc2csc(C(C)=O)c2)[C@H]2C[C@@H](O)C2)c1 244873002 WIEYCZGNFSACCK-OHNRDTAOSA-N 374.462 2.525 0 50 FFAA CCn1c(CN2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)nc2c(F)cccc21 299746724 ZJLLCTFGCBXXHK-NXEZZACHSA-N 359.323 2.890 0 50 FFAA CCCCOc1cc(F)ccc1-c1cncc(C(=O)N2CCOCC2)n1 534585575 PREVWILBVDPJGY-UHFFFAOYSA-N 359.401 2.934 0 50 FFAA CCOC(=O)N1CC[C@H](NCc2nc(-c3ccccc3Cl)no2)C1 534646540 SOWVKRKAHXDEHC-NSHDSACASA-N 350.806 2.710 0 50 FFAA Cc1cc2cccc(C(=O)NCC[C@H]3CCCCN3S(C)(=O)=O)c2o1 299797986 UEHHGCKMTUTRQQ-OAHLLOKOSA-N 364.467 2.675 0 50 FFAA O=C(NCCN1CCC(CO)CC1)N(Cc1ccccn1)C1CCCCC1 584887968 OIRNRBSQFAOVMF-UHFFFAOYSA-N 374.529 2.630 0 50 FFAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1cnc(O)c(Cl)c1 670452042 YUQQLGBRAIUHKD-GFCCVEGCSA-N 351.859 2.897 0 50 FFAA O=C(Cc1nc2ccccc2o1)N[C@H]1CCCN(Cc2cccc(O)c2)C1 670462294 XKPHJCAZCCZSCL-INIZCTEOSA-N 365.433 2.857 0 50 FFAA C=CC(=O)N(C)CC(=O)N1CC[C@](C)(c2cccc(C(F)(F)F)c2)C1 1875366272 IYEXCROLSDJKIG-KRWDZBQOSA-N 354.372 2.840 0 50 FFAA C[C@H](Oc1cccc2ccccc12)C(=O)N1CC(c2cc(CO)on2)C1 886085715 LLVRMQIHOHERQD-ZDUSSCGKSA-N 352.390 2.713 0 50 FFAA NC(=O)C1(O)CCN(c2nc(-c3cccc(Cl)c3Cl)cs2)CC1 893704246 WUIOPBGGJIBECA-UHFFFAOYSA-N 372.277 2.934 0 50 FFAA Cc1nncn1CCN1C[C@H]2C[C@H](c3ccccc3)CC[C@@]2(C(=O)O)C1 1565512862 CEJCHDMYAOPETA-QWFCFKBJSA-N 354.454 2.557 0 50 FFAA CCCN(C(=O)c1c[nH]c(-c2ccc(C)cc2)nc1=O)[C@H]1CCCC[C@@H]1O 1565509011 KRNFFLILBIRXSH-ROUUACIJSA-N 369.465 2.901 0 50 FFAA CC(C)(C)NS(=O)(=O)c1ccc(-n2cc(Br)cn2)cc1 40456688 UBFWGMAYPYTEJE-UHFFFAOYSA-N 358.261 2.712 0 50 FFAA in-vitro Cc1nccc(N2CCN(C(=O)NC3CCC(C(F)(F)F)CC3)CC2)n1 274232307 QFIWENNXMQDGIW-UHFFFAOYSA-N 371.407 2.738 0 50 FFAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1c(Cl)cncc1Cl)C2 1073304797 QCWFZBWARPZWQN-RYUDHWBXSA-N 357.285 2.966 0 50 FFAA O=C(c1ccnc(OCc2ccccc2)c1)N1CC[C@H](N2CCCC2)C1 171452043 ZTXAUYDKORGFIM-IBGZPJMESA-N 351.450 2.971 0 50 FFAA O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)N1CCC[C@H](CO)C1 188164526 GJDMYYPDSZAWNN-GXTWGEPZSA-N 372.296 2.986 0 50 FFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)CN1CCCCCCC1=O 188780168 FAYLUVDCTPUUHS-UHFFFAOYSA-N 371.481 2.866 0 50 FFAA O=C(NS(=O)(=O)c1sccc1Cl)c1noc2c1CCCCC2 408504122 WOWYXNFJXTZUPI-UHFFFAOYSA-N 360.844 2.777 0 50 FFAA Cc1cnccc1OC1CCN(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)CC1 225565160 UXKHSBSCJBQZQV-CQSZACIVSA-N 370.497 2.989 0 50 FFAA Cc1cc(O)nc([C@@H](C)N2CCCN(C(=O)c3ccccc3F)CC2)n1 192528822 OFSSDEPFMOXYLM-CQSZACIVSA-N 358.417 2.539 0 50 FFAA CC(C)c1nc(C(=O)NCc2nnc(C3CC3)o2)nn1-c1cccc(F)c1 193991682 WGBHAXCKPLGRIK-UHFFFAOYSA-N 370.388 2.720 0 50 FFAA O=C(c1cncc(NC[C@H](c2ccco2)N2CCCC2)n1)N1CCCC1 1704349699 DDNLRAASMGKZOK-MRXNPFEDSA-N 355.442 2.555 0 50 FFAA Cc1ccc(C(=O)N2CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C2)cc1C 1704359617 VRQNOFUAARPEGS-DENIHFKCSA-N 367.445 2.824 0 50 FFAA Cn1c(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)cc2c(Cl)cccc21 1615734182 BNAFUXPPAUYSAG-LIRRHRJNSA-N 373.884 2.767 0 50 FFAA CCc1nc(CN2CCCN(C(=O)c3ccc(Cl)s3)CC2)no1 1772710833 PKTWQDYHGWHGFX-UHFFFAOYSA-N 354.863 2.695 0 50 FFAA COC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 11690644 DTYKALQRHWRRLK-UHFFFAOYSA-N 354.341 2.754 0 50 FFAA Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc(C)c2cc1C 11783981 YMZLYCSLTOTTJS-QGZVFWFLSA-N 368.481 2.677 0 50 FFAA CCc1c(C(=O)NCCN(CC)CC)c(=O)cc(C)n1Cc1ccc(C)o1 12041130 PWFFRDSUJONHPQ-UHFFFAOYSA-N 373.497 2.740 0 50 FFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Br)cc1 12274808 FYPWFLSQEIXDFQ-UHFFFAOYSA-N 358.199 2.741 0 50 FFAA Cc1nc2ccccc2n1Cc1cc(C(=O)NCCN2CCCCC2)no1 12316921 CIWKVIAQWRGHIP-UHFFFAOYSA-N 367.453 2.597 0 50 FFAA COc1cc(CNC2CCCCC2)ccc1OC[C@H](O)CN1CCCC1 12576944 DWCQSFRSIZNXRC-LJQANCHMSA-N 362.514 2.953 0 50 FFAA C[C@H]1CN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C[C@@H](C)O1 12594304 UJYVQCAPVZVPJP-OKILXGFUSA-N 368.437 2.710 0 50 FFAA O=C1C[C@H](NCc2ccc(-n3cccn3)cc2)CN1Cc1ccc(F)cc1 12706049 PCZSWLJBUGXPDA-IBGZPJMESA-N 364.424 2.902 0 50 FFAA C[C@@H](CNC(=O)c1cccnc1)Oc1cccc(CN2CCSCC2)c1 15009179 NIGUQLXLJVOGNS-INIZCTEOSA-N 371.506 2.828 0 50 FFAA CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 18166706 WJZRGMQEFVAEME-HOTGVXAUSA-N 369.417 2.914 0 50 FFAA S=C(NCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19848948 DFDKXZVXHHTGSJ-UHFFFAOYSA-N 369.490 2.608 0 50 FFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3ncnc4sccc34)C1)CC2 1857668035 XCENDLKXUJMRHP-SFHVURJKSA-N 353.451 2.980 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1sc(-c2ncccn2)nc1CC 1857711156 KRILMKPOZJUAIY-UHFFFAOYSA-N 370.482 2.948 0 50 FFAA CCN(C/C=C/c1ccccc1)C(=O)[C@@H]1CC(=O)N(c2nnc(C)s2)C1 1857729205 MZHRZZFQYOOBLN-OJXHRBAXSA-N 370.478 2.761 0 50 FFAA Cc1ccc(C)c(OCC(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)c1C 1857738775 YAUJGGCMQNXUAW-JZJXAQOMSA-N 372.509 2.558 0 50 FFAA CCCN(C(=O)c1c(Cl)c2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 331749603 FFUQQDKTNBQGQL-LBPRGKRZSA-N 368.886 2.871 0 50 FFAA C[C@H](O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 331887312 XCLXANHZZRXXBV-NSHDSACASA-N 353.875 2.535 0 50 FFAA O=C(N[C@@H]1CCc2ncnn2C1)c1cncc(-c2ccc(Cl)cc2)c1 135519536 XCQKBOGURSRWHM-MRXNPFEDSA-N 353.813 2.738 0 50 FFAA CC[C@H](COC)NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 151056655 INBYHXYFMZIZHK-GRIAEXQCSA-N 362.514 2.735 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc(NC(=O)C2CC2)nc1 151864920 QSPJUCBMYXXKHO-UHFFFAOYSA-N 367.365 2.644 0 50 FFAA Cn1ncc2cc(C(=O)NCc3cccc(CN4CCCC4)c3)cc(O)c21 2325735266 GNKGGDUVIYMNNG-UHFFFAOYSA-N 364.449 2.805 0 50 FFAA C[C@H](NC(=O)C[C@@]1(C)CCCO1)c1cc(F)ccc1N1CCN(C)CC1 2325776227 CHWWNUSAVHZQGR-MGPUTAFESA-N 363.477 2.714 0 50 FFAA C[C@H](Sc1nccn1C)c1cccc(NC(=O)c2c(CN)cnn2C)c1 2325801900 ZVVPQVZEWFLYLF-LBPRGKRZSA-N 370.482 2.718 0 50 FFAA Cc1cc(C)n(-c2cccc(CNC(=O)c3cccc4c3CC(=O)N4)c2)n1 2325868691 GRVGWECEQAUJHP-UHFFFAOYSA-N 360.417 2.914 0 50 FFAA C[C@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 954852 SFSOXZMQIWLCDB-GJZGRUSLSA-N 350.484 2.589 0 50 FFAA CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 1165064 MQEZMMFNHFYFAZ-UHFFFAOYSA-N 370.858 2.894 0 50 FFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2oc1=O 1206724 MWWLKMBJZGKNGU-UHFFFAOYSA-N 350.374 2.882 0 50 FFAA O=C(NCc1ccccc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 1407275 PBXNIDMZRLCGDO-UHFFFAOYSA-N 371.396 2.609 0 50 FFAA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 2812743 PMXQJZTUZIAEFS-OVCLIPMQSA-N 371.418 2.698 0 50 FFAA COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)cc1 3894513 IQADDSPWJZCIDP-UHFFFAOYSA-N 352.360 2.923 0 50 FFAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cc(Cl)cc(Cl)c1 4702830 OEGVZAKOXURUOV-IHRRRGAJSA-N 356.253 2.721 0 50 FFAA O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccco1)NC(=O)c1ccco1 4976731 CGRBBPZQGXIYGS-RVDMUPIBSA-N 366.329 2.980 0 50 FFAA OCCOc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 23360461 BJURPXBPEOSYIK-LJQANCHMSA-N 358.457 2.951 0 50 FFAA Cn1c(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc2ccccc21 20731099 MGXXBKUZRRELRT-UHFFFAOYSA-N 365.408 2.916 0 50 FFAA COc1ccc(CCNC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1OC 171138659 CORAFYKKTIKLCO-OAHLLOKOSA-N 358.442 2.559 0 50 FFAA C[C@](Nc1ccccc1)(C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 1506406410 JZARECRIDSCOQA-HXUWFJFHSA-N 372.490 2.707 0 50 FFAA CC(=O)c1c(C)cc(C)c(CN2CCC(Cn3cc(CN)nn3)CC2)c1C 23368337 OJKLHEGUQKORPY-UHFFFAOYSA-N 369.513 2.777 0 50 FFAA Cn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 467072023 LNONPOHYDCLAPQ-LBPRGKRZSA-N 374.395 2.659 0 50 FFAA O=C(c1ccc(N2CCCC2)cc1)N1CCCN(C(=O)c2ccco2)CC1 1506396445 ATAPEARTFQDLFX-UHFFFAOYSA-N 367.449 2.868 0 50 FFAA CCn1cccc(CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1=O 434275146 GOSGQYCYKGNLQD-APWZRJJASA-N 369.465 2.835 0 50 FFAA COCc1cccc(C(=O)N2C[C@H](NC(C)=O)CC[C@H]2C(F)(F)F)c1 330549049 BJSXKPAULBRKNO-CABCVRRESA-N 358.360 2.505 0 50 FFAA CCn1ncnc1CN1CCc2[nH]nc(Cc3ccc(Cl)cc3)c2C1 23540707 LVNNMAJAMBADKN-UHFFFAOYSA-N 356.861 2.824 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)c2ccccc2[C@H]2CCNC2)CC1 72157843 VQDJNOLJDCETTE-SFHVURJKSA-N 364.493 2.819 0 50 FFAA COC(=O)c1coc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)n1 77391232 XXDAGUQTWINILF-AWEZNQCLSA-N 354.366 2.848 0 50 FFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cnc(-c2ccncc2)nc1 72448380 UWKUCRWXVQBDJS-UHFFFAOYSA-N 370.416 2.997 0 50 FFAA CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 133496615 BJUAYKIUMFKCMI-ROUUACIJSA-N 353.422 2.605 0 50 FFAA CCCN(C(=O)c1cccc(-c2cnc(O)nc2O)c1)[C@H]1CCCC[C@@H]1O 1565512175 KSMPIFUHOAECLP-IRXDYDNUSA-N 371.437 2.711 0 50 FFAA COc1ccc(C2(C(=O)N3CCC[C@@H](N4CCOCC4)C3)CCCC2)cc1 72159349 VYFLELOMTAIHFW-LJQANCHMSA-N 372.509 2.830 0 50 FFAA Cc1nc(-c2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)n[nH]1 509194460 YHGDXTAEVOGMGF-UHFFFAOYSA-N 363.421 2.869 0 50 FFAA COC[C@H](C)OC[C@@H](O)CN1CCC(c2cccc3cnccc23)CC1 373895616 AMYDJAQHYFMWJV-LPHOPBHVSA-N 358.482 2.827 0 50 FFAA C[C@@H](C1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1)N1CCOCC1 19535281 XMUSWQDKACOTNO-HNNXBMFYSA-N 371.460 2.615 0 50 FFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cc(-c2ccncc2)no1 82126059 IXVAOTWYNQZACV-UHFFFAOYSA-N 353.426 2.678 0 50 FFAA Cc1cc(C)c(CN2CCn3nc(CNc4cnccn4)cc3C2)c(C)c1 426699942 MTHRRZGUUSAVSD-UHFFFAOYSA-N 362.481 3.226 0 50 FFAA COc1cc2[nH]c(O)nc2cc1NC(=O)NCc1snnc1C(C)C 426423134 VOEFKYHFYJCHFJ-UHFFFAOYSA-N 362.415 2.574 0 50 FFAA Cc1cnccc1N1CCCN(C(=O)NCCOc2ccc(F)cc2)CC1 426621545 CYKVMSBTYYLKSS-UHFFFAOYSA-N 372.444 2.830 0 50 FFAA CC1(C)Cc2cc(CNC(=O)N3CCC4(CC3)OCCC[C@@H]4O)ccc2O1 426627836 SBIFOCGBIRLKHL-SFHVURJKSA-N 374.481 2.616 0 50 FFAA CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccccn1)CC2 91793232 KZOFFPMNGMMOKU-UHFFFAOYSA-N 353.470 2.594 0 50 FFAA CC(C)c1nnc([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CC3)o1 426597169 DBTIVGLKJBDBLN-NSHDSACASA-N 352.394 2.555 0 50 FFAA NC(=O)COc1ccc(-c2nc(C3CC3)nn2CCc2ccccc2)cc1 96138192 ZXHVBWJWKISKAN-UHFFFAOYSA-N 362.433 2.929 0 50 FFAA CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCOC)C3)CC2)cc1 91425159 ZCPUOROYSFNXRK-UHFFFAOYSA-N 358.482 2.740 0 50 FFAA O=C(NCC1CCNCC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95359236 XQFNIOHOXCJSRC-UHFFFAOYSA-N 352.413 2.870 0 50 FFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CC(=O)OC12CCCCC2 97547479 VORCISAWCQINEV-CYBMUJFWSA-N 359.451 2.916 0 50 FFAA Cn1cncc1CN1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 92022189 BNORTARUQXMHBG-UHFFFAOYSA-N 374.435 2.713 0 50 FFAA Cc1nc(CC(=O)NC[C@@H]2CCC3(CCN(C(C)C)CC3)O2)c(C)s1 243901011 AYKFFJGUZWJAAM-INIZCTEOSA-N 365.543 2.841 0 50 FFAA O=C(CCN1CCN([C@H]2CCc3ccccc3C2)CC1)Nc1cccnc1 244685644 ITVRTANEABCDSD-NRFANRHFSA-N 364.493 2.585 0 50 FFAA CCCn1nc(C)c(CNC(=O)COCc2nc3cc(F)ccc3[nH]2)c1C 244734601 NIQYNYCYVZOMDQ-UHFFFAOYSA-N 373.432 2.758 0 50 FFAA C[C@@H](C1CCN(C(=O)CC2Cc3ccccc3C2)CC1)N1CCOCC1 244795027 QYGBCHKPOJLZFB-KRWDZBQOSA-N 356.510 2.751 0 50 FFAA COc1ccc([C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]2C[C@H](O)C2)cn1 252536483 IRQOUSNNJWDPFE-QOKNQOGYSA-N 360.841 2.915 0 50 FFAA COc1cccc(OC)c1S(=O)(=O)NCCc1cc2ccccc2o1 184890408 UHIXXIURTZIQNM-UHFFFAOYSA-N 361.419 2.971 0 50 FFAA COC(=O)c1cn(Cc2ccc(-c3nccs3)cc2)cc2c(=O)[nH]nc1-2 263588930 ZZQTVFNMFURAST-UHFFFAOYSA-N 366.402 2.635 0 50 FFAA CCCN(Cc1nccn1C)C(=O)c1cccc(-c2nccnc2NC)c1 534646583 WBBCCBNIRNSFIV-UHFFFAOYSA-N 364.453 2.971 0 50 FFAA COc1ccccc1CCC(=O)N1CCC[C@@]2(CCCN(C)C2=O)[C@@H]1C 1940196011 CLKNWDMABXBNHI-KKSFZXQISA-N 358.482 2.877 0 50 FFAA C[C@@H](NC(=O)c1c(I)cnn1C)[C@H]1C[C@H]2CC[C@H]1C2 102616592 SLVMUBMMGSEGED-VPOLOUISSA-N 373.238 2.579 0 50 FFAA O[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC[C@H]1Nc1ncccn1 299782702 XPDQNTLDECIECR-HUUCEWRRSA-N 370.350 2.682 0 50 FFAA CCCn1cnnc1CNC(=O)c1ccc(NCc2ccncc2)cc1 823031331 RLUSWUKIQKZYNQ-UHFFFAOYSA-N 350.426 2.625 0 50 FFAA Cc1csc(CCCNC(=O)N2CCC(N3CCSCC3)CC2)n1 584886856 GUWHWYWLHMZBMF-UHFFFAOYSA-N 368.572 2.607 0 50 FFAA CC(C)c1nnsc1CNC(=O)N(Cc1cocn1)Cc1cocn1 584894859 PRZQVAIKBGOZPT-UHFFFAOYSA-N 362.415 2.550 0 50 FFAA O=S(=O)(NCCN1CCC[C@@H](c2ccccc2)C1)N1CCCCCC1 670459777 FPGGIQJDHKUXIE-LJQANCHMSA-N 365.543 2.576 0 50 FFAA COc1ccc(Cc2nnnn2C[C@@H](O)c2ccc(C)cc2C)cc1F 1875264028 MSDLFBIHKJMJIU-QGZVFWFLSA-N 356.401 2.762 0 50 FFAA Cc1cc(OCc2cccnc2)ccc1NC(=O)[C@H]1CCCC(=O)N1C 1875296934 VQEXGQJOCLHERF-GOSISDBHSA-N 353.422 2.918 0 50 FFAA O=C(O)[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)Cc2nccn2C1 1875291206 RBTMAYZTHAOSGK-CYBMUJFWSA-N 355.369 2.999 0 50 FFAA C=CC(=O)N1CCC(C(=O)N(C)c2nnc(-c3ccccc3)s2)CC1 1875370763 CGKKRIQTZNOCBV-UHFFFAOYSA-N 356.451 2.593 0 50 FFAA CCn1cc(S(=O)(=O)N(C)CCOc2cccc(Cl)c2)c(C)n1 952975782 GOEFRLVNFXJHPY-UHFFFAOYSA-N 357.863 2.564 0 50 FFAA COc1cc2c(cc1CNC(=O)c1ccccc1N1CCOCC1)CCC2 952966780 WWPARYZXRQLERU-UHFFFAOYSA-N 366.461 2.951 0 50 FFAA O=C(Nc1ccccn1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 275974399 MVGCBNXANVGBRD-HNNXBMFYSA-N 353.426 2.762 0 50 FFAA CN(CC1(c2ccccc2)CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccn1 186778951 MNSOYAKTOYCWNC-IBGZPJMESA-N 363.461 2.876 0 50 FFAA COC(=O)c1cccc(OC)c1N(C)C(=O)c1cc(OC)cc(OC)c1 170603862 DNAJJBHRQXKRLS-UHFFFAOYSA-N 359.378 2.776 0 50 FFAA CC(C)C(=O)N1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 172846226 JGRFIKCDYFNYLW-UHFFFAOYSA-N 358.467 2.582 0 50 FFAA O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 190054627 MNBRFFVZJXLARV-JLSDUUJJSA-N 365.905 2.937 0 50 FFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)c1nc(N)nc2c1CCCC2 1506395082 BMUPNWTZOVBMPN-UHFFFAOYSA-N 364.453 2.519 0 50 FFAA COc1cccc2c1C1(CCN(C(=O)c3cc(C4CC4)[nH]n3)CC1)OCC2 1704329361 TWTYWWYPXASIMM-UHFFFAOYSA-N 367.449 3.000 0 50 FFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1 1704311950 GSBVRXRNMSZEMX-CTNGQTDRSA-N 364.489 2.988 0 50 FFAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Br)cn1 1181047 PACSLXYOELFJNS-GQCTYLIASA-N 352.213 2.964 0 50 FFAA CN(C(=O)c1cc(COc2cccc3cnccc23)on1)[C@@H]1CCOC1 11717232 BOZYIOYOXWSLCB-CQSZACIVSA-N 353.378 2.663 0 50 FFAA Cc1ccc(CNC(=O)c2cn(Cc3c(F)cccc3F)nn2)cc1F 11765333 LMAOQXMAMHIUMO-UHFFFAOYSA-N 360.339 2.982 0 50 FFAA CCOC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 11934899 IZBVFKJPNKLOJO-QGZVFWFLSA-N 369.417 2.959 0 50 FFAA COC[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccccc3Cl)=NO2)C1 12055698 KORLKELESKQOPA-GUYCJALGSA-N 350.846 2.912 0 50 FFAA CCCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl 13203980 ZNTXLIRKTZATTA-FMIVXFBMSA-N 367.881 2.569 0 50 FFAA CC(C)CCN[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 14539728 XRTVLNIVROYOFZ-HNNXBMFYSA-N 358.486 2.778 0 50 FFAA Cc1cccc(CN2CCC[C@](O)(CNCc3ccc(F)c(F)c3)C2=O)c1 14952839 NEIHBQKJTRVUPM-NRFANRHFSA-N 374.431 2.917 0 50 FFAA CC(C)CNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 15062798 NBGXYNRBEVZGQF-IBGZPJMESA-N 358.530 2.530 0 50 FFAA Nc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccccc1 16649085 DIBYZJYPWSLZNR-UHFFFAOYSA-N 358.199 2.864 0 50 FFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCc1nc(-c2ccccc2F)no1 1857671951 ZJJFYBGRTJOCGT-OWZDWXTDSA-N 373.428 2.960 0 50 FFAA Cc1cc2cccc(C(=O)N3CCC4(CC3)CN(C)C(=O)CCO4)c2o1 1857723282 YIVBFNVVYWBDQL-UHFFFAOYSA-N 356.422 2.595 0 50 FFAA COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O)cc1 3599462 NZHUXMZTSSZXSB-MOPGFXCFSA-N 372.490 2.798 0 50 FFAA endogenous,in-man O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)ccc1Br 238093187 UYGDYWVDJFACCI-NSHDSACASA-N 374.206 2.684 0 50 FFAA NCC1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 238036232 KQVBLBCXXJUIKO-UHFFFAOYSA-N 356.797 2.718 0 50 FFAA COc1ccc(OCCC(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1 241926410 UFZZNBYKAQYIAG-NRFANRHFSA-N 357.450 2.822 0 50 FFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3ccc(C)s3)n[nH]1)C2 247817103 DNWUNZUPAMWMPQ-KGLIPLIRSA-N 372.494 2.920 0 50 FFAA CO[C@@H]1CCCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 374666401 UTVCTHHUSJERGV-GFCCVEGCSA-N 356.264 2.551 0 50 FFAA Cc1nc(CC(=O)N(Cc2nccs2)[C@@H]2CC23CCNCC3)cs1 844195363 MSOYAMWWTMSCCO-CQSZACIVSA-N 362.524 2.621 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC[C@H]2O 753138 MEAUGNVMUAFHGV-CYBMUJFWSA-N 366.483 2.719 0 50 FFAA O=C([C@H]1CCCN(c2ccccn2)C1)N1CC2(COc3ccccc3C2)C1 2100555621 ZHJRAOCRGVBMRF-SFHVURJKSA-N 363.461 2.762 0 50 FFAA C[S@@](=O)CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 2325760086 ISGXLAWJVQOZFL-AREMUKBSSA-N 369.490 2.867 0 50 FFAA CN(C1CCC1)S(=O)(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 2325776482 QNUUEXZHNKPDDD-GFCCVEGCSA-N 355.529 2.540 0 50 FFAA Cc1c(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)ccc2c1CCC2 2325798793 AXHVZGDRNBHSMI-UHFFFAOYSA-N 352.482 2.565 0 50 FFAA CN1CC2(CCN(C(=O)Cc3csc(C4CCCC4)n3)CC2)OC1=O 2325817969 KNHACYWXPOJJPZ-UHFFFAOYSA-N 363.483 2.786 0 50 FFAA C[C@H](CCNC(=O)Cc1ccc2cccnc2c1)NC(=O)CC1CCC1 2325868043 NAIGJAWIHIHRKE-OAHLLOKOSA-N 353.466 2.979 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCSC3(CCOCC3)C2)cc1 2325890003 PRBXKUDULAVPCY-UHFFFAOYSA-N 360.479 2.574 0 50 FFAA COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1OC 2469415 JRKYDWQIOQCNNO-NSHDSACASA-N 357.362 2.915 0 50 FFAA O=C(NCCOc1ccccc1)c1cc2c(s1)CCOC21CCNCC1 2356161736 HKUWZOISEPGUBB-UHFFFAOYSA-N 372.490 2.708 0 50 FFAA COc1ccccc1N1CCN(C2CCN(C(=O)c3ccco3)CC2)CC1 4109081 MZORCPHLDGDHMQ-UHFFFAOYSA-N 369.465 2.715 0 50 FFAA Cn1cnnc1SCCCN1C(=O)c2cccc3cccc(c23)C1=O 4247992 PRPVZVOPIAOHCE-UHFFFAOYSA-N 352.419 2.747 0 50 FFAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)c(C)c1 8333535 SRXZSZUHNCSPQR-UHFFFAOYSA-N 364.511 2.635 0 50 FFAA COC(=O)c1ccc(CN2CCO[C@@H](Cc3cccc(OC)c3)C2)cc1 20542507 JVGBQVQXBTXZNB-FQEVSTJZSA-N 355.434 2.925 0 50 FFAA Cc1ccc(C)c2c1NC(=O)[C@H]2CC(=O)N(C)Cc1[nH]nc2c1CCC2 67871607 BPCXYHNDJZXJNZ-AWEZNQCLSA-N 352.438 2.600 0 50 FFAA COc1ccccc1-n1cc(CN[C@H]2COc3c(cccc3OC)C2)cn1 20323338 OFNGZEPRKMVUHB-QGZVFWFLSA-N 365.433 2.983 0 50 FFAA Cc1nc(-c2c(C)ncc3c2CCN(C(=O)CN2CCCCCC2)C3)no1 20917814 RZIFSSSVXWYHND-UHFFFAOYSA-N 369.469 2.509 0 50 FFAA Cc1cccc(Cn2nc(C)c3[nH]c(-c4c(C)nn(CCO)c4C)nc32)c1 20135608 MWQCMPXFJYWIGN-UHFFFAOYSA-N 364.453 2.897 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCCOC2CCCC2)n1C 328621625 HXKAMTRGVSLHBV-SFHVURJKSA-N 361.486 2.788 0 50 FFAA O=C(CCOC1CCOCC1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 329158613 DORBPRDOOLLCDE-UHFFFAOYSA-N 371.481 2.930 0 50 FFAA COC1CCC(CC(=O)NS(=O)(=O)c2cccc3cnccc23)CC1 124092533 OAIOKRQEHDVXBE-UHFFFAOYSA-N 362.451 2.635 0 50 FFAA CCC[C@H](NC(=O)Cn1ccc2ccccc2c1=O)C(=O)OC(C)(C)C 468406488 BSPCKMWPQJISPS-INIZCTEOSA-N 358.438 2.628 0 50 FFAA CCN(CC(=O)N1CCCCCC1)C(=O)c1cccnc1C(F)(F)F 331985315 LQMMXKSGQJZZJU-UHFFFAOYSA-N 357.376 2.965 0 50 FFAA COC(=O)c1c(I)ccc(Br)c1F 307203979 FYRSGGGTNFARPF-UHFFFAOYSA-N 358.932 2.979 0 50 FFAA CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(C(=O)O)CCCCC1 236828825 OSZKOPCOVUYBAE-QGZVFWFLSA-N 356.422 2.854 0 50 FFAA Cc1ncsc1CCS(=O)(=O)N1C[C@H](C)C[C@H]1c1cccnc1 333260956 BACGCWNRICMWDC-DOMZBBRYSA-N 351.497 2.802 0 50 FFAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1cc(-c2ccco2)on1 67955004 HZVOECFJVVYNHE-CYBMUJFWSA-N 350.378 2.823 0 50 FFAA Cc1cc(C)c(CN2CCCCC[C@H]2CO)cc1CN1CCN(C)CC1 215495440 ZBUNHYOOLRLUBL-QFIPXVFZSA-N 359.558 2.788 0 50 FFAA 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O=S(=O)(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccccc1 183178509 HXDLGMGOXXAXLK-UHFFFAOYSA-N 365.354 2.781 0 50 FFAA CCCSCCNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 71775938 RGVKRNFSBQNIRP-UHFFFAOYSA-N 357.483 2.625 0 50 FFAA CC(C)CNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 13331576 WEVLUSMHLPXPMV-UHFFFAOYSA-N 352.481 2.864 0 50 FFAA Cc1[nH]c2ccc(CNC(=O)N3CCC[C@H]4C(=O)N(C)C[C@H]43)cc2c1C 375453876 GMGBEMOCLHTFEB-CRAIPNDOSA-N 354.454 2.547 0 50 FFAA Cc1nc2nc3ccn(-c4ccccn4)c(=O)c3c(-c3ccccc3)n2n1 38828696 UUNQUVUHYFVLJM-UHFFFAOYSA-N 354.373 2.799 0 50 FFAA Cc1cccc(OC2CCN(C(=O)CN(C)Cc3ccncc3)CC2)c1 77459116 UCRDYDIJUMBDFK-UHFFFAOYSA-N 353.466 2.892 0 50 FFAA Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)C2)cc1 378230471 GXVYEQMFENEOID-AABGKKOBSA-N 370.493 2.732 0 50 FFAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 262963324 RXKZYOUGVVJVLL-OAHLLOKOSA-N 359.353 2.585 0 50 FFAA O=C(c1cccc2nccnc12)N1CCC2(CC1)C(=O)Nc1ccccc12 72119583 QJXUISCXTTWQDN-UHFFFAOYSA-N 358.401 2.756 0 50 FFAA CCCc1cn(CC2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)nn1 48422397 OAEBSTBMJKBVKB-SFHVURJKSA-N 368.481 2.721 0 50 FFAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCSCc1ccccc1)C2 222728915 SBZXWDQDLFXWNN-OAHLLOKOSA-N 359.495 2.992 0 50 FFAA CCCN1CCCn2nc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2C1 82106872 AIGBOEGVMRNEJX-VQTJNVASSA-N 352.482 2.919 0 50 FFAA Cc1cn2cc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc2n1 220298307 QERKCWRGBRKUFQ-GOSISDBHSA-N 350.422 2.859 0 50 FFAA O=C(O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 226087325 QKILOOYOCAGNHF-SECBINFHSA-N 352.239 2.620 0 50 FFAA Cn1c(=O)c(C(=O)NCc2ccc(-c3ncon3)cc2)cc2ccccc21 426602514 NXECIGZELBXING-UHFFFAOYSA-N 360.373 2.519 0 50 FFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(C(=O)c1cc(C)c(C)s1)CC2 426646988 GCFOUCFQUAIKAY-QILLFSRXSA-N 353.484 2.526 0 50 FFAA CCn1nc(C)c(CN(C)S(=O)(=O)c2cn(CC(C)C)nc2C)c1C 20602645 HGCGTOFWJLYAGQ-UHFFFAOYSA-N 367.519 2.501 0 50 FFAA CCNC(=O)[C@@H]1C[C@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1 20997146 GRGRZIKQJMUFHS-ICSRJNTNSA-N 373.447 2.834 0 50 FFAA 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FFAA N=c1[nH][nH]c2cc(-c3cn(C[C@@H]4CCN(Cc5ccccc5)C4)nn3)ccc12 2325822263 NCPAVDDGZMRERP-MRXNPFEDSA-N 373.464 2.756 0 50 FFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)c3ccoc3C3CC3)C2)n[nH]1 2325842862 KVHXDYXGPLVZEB-ZDUSSCGKSA-N 356.426 2.648 0 50 FFAA Cc1cccc([C@H](NC(=O)c2noc3c2CC(F)(F)CC3)C(=O)O)c1C 2325865656 KWHLLBCKEMNEPQ-HNNXBMFYSA-N 364.348 2.971 0 50 FFAA CC(C)C(=O)NC[C@@]1(C)CN(c2cc(Cl)nc(C(C)C)n2)CCO1 2325867190 NSOIOGXIVCVTMG-KRWDZBQOSA-N 354.882 2.621 0 50 FFAA CC1(C)C[C@H](NC(=O)C(F)(F)F)C[C@@](C)(CNC(=O)C(F)(F)F)C1 675792 YOWHANNOAAEALQ-QPUJVOFHSA-N 362.314 2.928 0 50 FFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 784115 BDKGJWRUHPSCRF-UHFFFAOYSA-N 362.407 2.953 0 50 FFAA Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 902455 LSUNPBDWEWBUQU-UHFFFAOYSA-N 374.462 2.577 0 50 FFAA COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 1166956 YXIYOXLCPIROQL-UHFFFAOYSA-N 369.826 2.717 0 50 FFAA O=C(COc1ccc(Br)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 4868672 RYLXMYCPOAFIIV-UHFFFAOYSA-N 362.183 2.636 0 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Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 72475810 PAYTZLGYNTYWOQ-GOSISDBHSA-N 367.497 2.821 0 50 FFAA Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@H](C(=O)O)C3)c2)cs1 237758865 VAPRWQWJYSLSOV-NFAHFFEMSA-N 372.446 2.977 0 50 FFAA CCOCCn1c(=O)[nH]c2cc(C(=O)N3CCc4sccc4C3)ccc21 77425168 MOXFPGLTEXACEU-UHFFFAOYSA-N 371.462 2.626 0 50 FFAA O=C(NCc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN1C1CCNCC1 215206130 WAESFXCZFVJTLI-INIZCTEOSA-N 373.394 2.677 0 50 FFAA C[C@@H](C1CCN(C(=O)CCCOc2ccccc2)CC1)N1CCOCC1 72468896 MCCHONGXZPZTJM-SFHVURJKSA-N 360.498 2.805 0 50 FFAA Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 72479839 OWRSDEFVUSAHKO-OAHLLOKOSA-N 372.444 2.675 0 50 FFAA O=C(c1ncccc1O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 132976085 LFTDRBOYRLLZTJ-OLZOCXBDSA-N 352.312 2.754 0 50 FFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ncc2c(n1)CCC2 72473939 DZCFBCJYBCCUGN-UHFFFAOYSA-N 361.449 2.627 0 50 FFAA O=C(COCC(F)(F)C(F)F)N1CCO[C@H](Cc2cccc(F)c2)C1 71758763 PNENCNVCHCAFFB-CYBMUJFWSA-N 367.314 2.513 0 50 FFAA Cc1cccnc1[C@@H](NC(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1 215432900 NAXUKQIFDXADHM-HNNXBMFYSA-N 368.462 2.888 0 50 FFAA C[C@@H](c1cccnc1)N(C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 216408060 QYVSATXVQUQGCB-KRWDZBQOSA-N 369.465 2.512 0 50 FFAA O=C(Nc1ccon1)C(=O)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 375437763 OQIKXUMFXKQNBH-HOTGVXAUSA-N 353.422 3.114 0 50 FFAA O=C1CCCCCN1CC(=O)N1CCC[C@H](COc2ccccc2F)C1 77299526 ZLUJZNVRBGVKQP-INIZCTEOSA-N 362.445 2.846 0 50 FFAA COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCC3)n2)c(F)c1 44894093 NLRUGEYZPDCDQE-UHFFFAOYSA-N 359.401 2.507 0 50 FFAA CCOC1CC2(CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)C2)C1 286319374 JOOHAPYVFWITNS-UHFFFAOYSA-N 358.442 2.625 0 50 FFAA CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)[C@H]1CC1(C)C)C2 72123945 PQAFFKXOYLKMOY-OAHLLOKOSA-N 351.454 2.535 0 50 FFAA Cn1cc(N2CCC[C@@H](NC(=O)NCC(C)(C)c3ccccc3F)C2)cn1 176173539 NVWAQYZHHXCQOJ-OAHLLOKOSA-N 373.476 2.805 0 50 FFAA CCN(CCNC(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1)c1cccc(C)c1 426472719 JRVGRKZCXXRAEM-KRWDZBQOSA-N 370.501 2.837 0 50 FFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)NCCSc1cnn[nH]1 426369143 GZNLGYVBDPCBMK-LBPRGKRZSA-N 358.471 2.576 0 50 FFAA Cc1cc(CN(C)C(=O)c2cccc(-c3ncc(F)c(N(C)C)n3)c2)on1 426674379 ZBYYIWIRMPOKMO-UHFFFAOYSA-N 369.400 2.917 0 50 FFAA CC(C)n1cnnc1CCNC(=O)N(C)Cc1cc(-c2ccccc2)no1 426544520 VPYQFSLEZBXZLB-UHFFFAOYSA-N 368.441 2.898 0 50 FFAA CCN1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 96137798 VQNCITPGZPNGEQ-LJQANCHMSA-N 368.481 2.844 0 50 FFAA Cc1ccc(NCCCNC(=O)c2cnc(-c3ccccc3)nc2O)nc1 92078789 OPARSSRPRGKCEA-UHFFFAOYSA-N 363.421 2.785 0 50 FFAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 91988203 NRLSMOHUQVTNJF-HNNXBMFYSA-N 352.434 2.518 0 50 FFAA CCc1ocnc1C(=O)N1CCC[C@H](c2nccn2Cc2cccnc2)C1 92038116 MLIRMPDXNAVGQC-INIZCTEOSA-N 365.437 2.897 0 50 FFAA Ic1ccccc1OCCOCCN1CCCC1 23549786 JLXAIDHDOHGFNQ-UHFFFAOYSA-N 361.223 2.782 0 50 FFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1ccc(C(=O)NC)o1 95384516 ZHYMORBWWFDBFH-HNNXBMFYSA-N 368.437 2.819 0 50 FFAA CN1CCN(C(=O)c2cccc(NC(=O)N3CCCCCCC3)c2)CC1 96149732 FGYRXBAREXJZFF-UHFFFAOYSA-N 358.486 2.872 0 50 FFAA Cc1ccc(CN2CCN(c3nc4c(s3)c(C)nn4C)CC2=O)cc1C 95502533 FUVLVOIYYSOTDI-UHFFFAOYSA-N 369.494 2.804 0 50 FFAA COc1cc(NC(=O)N2CCCN(C(C)=O)CC2)cc(C(F)(F)F)c1 96133012 IOOGTWVKRMPUOD-UHFFFAOYSA-N 359.348 2.800 0 50 FFAA COc1ccccc1OC1CN(c2cc(C(=O)N3CCCC3)ccn2)C1 96149032 FYQJESAEKFYMAL-UHFFFAOYSA-N 353.422 2.594 0 50 FFAA CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)OC[C@@H]1c1ccccc1 95522395 ZTKVPWXTTDAUBI-QGZVFWFLSA-N 369.421 2.705 0 50 FFAA COc1cc(-c2nc3nccc(-c4cccnc4)n3n2)cc(OC)c1OC 253410852 NVMJCSDVUWKHOR-UHFFFAOYSA-N 363.377 2.879 0 50 FFAA Cc1nc(C2CCN(C(=O)c3cnc(-c4ccccc4)nc3C)CC2)n[nH]1 366295717 ULTNWSYDIXESEB-UHFFFAOYSA-N 362.437 2.898 0 50 FFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC(N2CCOCC2)CC1 628128063 NAUDANFXAFIPBD-KRWDZBQOSA-N 360.498 2.902 0 50 FFAA COc1cccc(-c2ccc(NC(=O)NC[C@H]3CN(C)CCN3C)cc2)c1 299769040 IHTVEGHDSIDJMX-IBGZPJMESA-N 368.481 2.730 0 50 FFAA CCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc2nc(O)sc2c1 823086382 IDALXWAZQOIKIK-LLVKDONJSA-N 356.469 2.582 0 50 FFAA CC(C)Cc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)nc(N)n1 821471687 ZIXRYZWXAJCIBC-UHFFFAOYSA-N 364.453 2.920 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 874569000 GROSORZLUXQPIK-SWLSCSKDSA-N 370.371 2.671 0 50 FFAA Cc1ccccc1-n1nc(C)c(CNC(=O)N2C[C@H](O)C[C@H]2C2CC2)c1C 1875269848 ZAHRAASASPMMAO-XLIONFOSSA-N 368.481 2.852 0 50 FFAA Cn1cc([C@@H]2CN(c3nccc4c(Br)cccc34)C[C@H]2N)cn1 1875266331 GDDCSEXRJLZNKJ-GOEBONIOSA-N 372.270 2.662 0 50 FFAA Cc1cc(C(=O)NC[C@@H]2CC(C)(C)CN2c2cncc(Cl)n2)ccn1 1875406092 WRXDSIUTJFBXNI-AWEZNQCLSA-N 359.861 2.868 0 50 FFAA CCOc1c(CN(C)C(=O)c2cc(C(C)C)nc(N)n2)cccc1OC 952872002 GMMTZRWTPZLQRQ-UHFFFAOYSA-N 358.442 2.862 0 50 FFAA Cc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H](N)CC[C@@H]1C(F)(F)F 886034010 CEYLSRILMXAOLO-LDYMZIIASA-N 355.282 2.903 0 50 FFAA C[C@@H]1CN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC2(CCCCC2)O1 888093943 MXESXFSFGOKSQZ-MRXNPFEDSA-N 374.485 2.874 0 50 FFAA Cc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1S(C)(=O)=O 170858394 SYUZALFZKLFQBX-KRWDZBQOSA-N 358.463 2.725 0 50 FFAA CCc1nc(C2CCN([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)n[nH]1 190671626 XWAUDMNPBOPXAF-CQSZACIVSA-N 373.476 2.733 0 50 FFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2C[C@H](C)OCC2(C)C)cc1 191653013 YDQZUSCJJMNWTP-LBPRGKRZSA-N 357.410 2.518 0 50 FFAA CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)CC1 755222531 AVDTZEQYNHVXFQ-ZWKOTPCHSA-N 350.466 2.651 0 50 FFAA COc1cnccc1[C@H](C)NC(=O)N1CCc2cccc(OC)c2CC1 194576890 ULSGZUUJQDHBCE-AWEZNQCLSA-N 355.438 2.970 0 50 FFAA C[C@@H](C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1)N1CCN(C)CC1 195150964 LMBVQMGWPXAYDS-HNNXBMFYSA-N 370.472 2.559 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)CCc3ccc(F)cc3F)CCN12 1529138478 CXHPEZFPDPIVKD-DLBZAZTESA-N 352.425 2.609 0 50 FFAA CCC[C@H]1CN(C(=O)COc2ccc3ccccc3c2)C[C@@H]1NC(C)=O 216902329 XFUMECMOSPCPTA-ICSRJNTNSA-N 354.450 2.982 0 50 FFAA COc1cc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)ncn1 221962897 XTRQFDVJJXRKTI-ZBFHGGJFSA-N 372.494 2.607 0 50 FFAA O=C(c1ccccc1-c1ccccc1F)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1775979158 YGZNOYWUSUOGOK-ZUOKHONESA-N 355.365 2.666 0 50 FFAA Cc1nc(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)cs1 11754164 PIXJTYVUERKKLY-UHFFFAOYSA-N 372.494 2.795 0 50 FFAA CCN(C)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1 11759158 HCDJXPURGSBPTH-HXUWFJFHSA-N 369.553 2.809 0 50 FFAA CCOC(=O)CN(C)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 11763849 FALVUOJMKYMCPZ-UHFFFAOYSA-N 370.764 2.681 0 50 FFAA O=C(NCc1ccccc1)N[C@@H]1CC(=O)N(CCCc2ccccc2)C1 12301866 JZZDEKJONZJNAR-LJQANCHMSA-N 351.450 2.720 0 50 FFAA COc1cccc(OCc2cc(C(=O)N3CCC[C@H](CCCO)C3)no2)c1 12373309 FWVXKUXLWUSPBX-OAHLLOKOSA-N 374.437 2.887 0 50 FFAA CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2ccccc2)CC3=O)CC1 16651620 KXDYRIWJTUUYGE-KRWDZBQOSA-N 350.466 2.840 0 50 FFAA CCCCn1c(CN(C)CCOC)cnc1S(=O)(=O)CCCC(C)C 19742615 YXSCLZUHFUCTJT-UHFFFAOYSA-N 373.563 2.971 0 50 FFAA O=C1NC[C@@H](NCc2cc(F)cc(F)c2)n2nc(-c3cccs3)cc21 169754505 MKYWLNDJKQECJM-INIZCTEOSA-N 360.389 2.922 0 50 FFAA O=C(O)[C@]12COCC[C@H]1CN(C1CCN(c3ccc(Cl)cc3)CC1)C2 1857669141 LIKQEULKVVZBDM-IFXJQAMLSA-N 364.873 2.732 0 50 FFAA CCCO[C@@H]1CC[C@H](C(=O)NCCc2nc3c(s2)CCCC3)C[C@H]1N 1857735947 WKEXMJPYIXYAHP-SQWLQELKSA-N 365.543 2.603 0 50 FFAA c1ccc([C@H]2CN3C[C@H](NC4CSCCSC4)C[C@H]3CO2)cc1 1857737956 LELNDKQOLGODRF-BPQIPLTHSA-N 350.553 2.639 0 50 FFAA Cc1cc(C)cc(CCC(=O)N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)c1 1875245214 PPYBNCFPTMHQGU-GHTZIAJQSA-N 359.466 2.700 0 50 FFAA Cc1ccc2oc(N3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)nc2c1 112330648 GBNICMSSSGLTLM-UHFFFAOYSA-N 353.426 2.945 0 50 FFAA CCc1nc2n(n1)C[C@H](NC(=O)c1cnc(-c3ccccc3F)s1)CC2 114864046 OJEAWMWISWLHNH-LLVKDONJSA-N 371.441 2.848 0 50 FFAA Cc1nccnc1N1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 332380733 GQIAYQYUXWUSEW-UHFFFAOYSA-N 367.236 2.760 0 50 FFAA CC[C@@](CNC(=O)c1cc2c(s1)CCOC2)(C(=O)O)c1ccccc1 262890719 CAJJLSHUQMNVEF-IBGZPJMESA-N 359.447 2.983 0 50 FFAA Cc1noc([C@H]2CCCN(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)n1 265442649 QIERZRWOTOXOGE-JTQLQIEISA-N 358.324 2.548 0 50 FFAA COC(=O)[C@@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1C(C)(C)C(=O)OC 1142223 NLGLJCZPOUSZGA-CVEARBPZSA-N 356.374 2.831 0 50 FFAA COc1ccc([C@](C)(NC(=O)c2cc(C)nc3onc(C)c23)C(=O)O)cc1 2325726061 HIRJWSJPSPIKEA-IBGZPJMESA-N 369.377 2.578 0 50 FFAA O=C(NC1(c2ccc(Cl)cc2)COC1)c1ccc(N2CC[C@H](O)C2)cc1 2325805203 XRPYHXDCSXOQDK-SFHVURJKSA-N 372.852 2.567 0 50 FFAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ccc(F)c(C(F)(F)F)c1 2356156516 FTLOGCSSOCYVHI-KRWDZBQOSA-N 374.378 2.794 0 50 FFAA O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCC2 4805665 NLVKEOOVTPNCKP-ZDUSSCGKSA-N 360.435 2.877 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)CCC(=O)Nc1c(C)cc(C)cc1C 55100034 QGTZBTDKLKCHSH-HNNXBMFYSA-N 357.458 2.819 0 50 FFAA C[C@H](CO)CN(Cc1ccccc1)C(=O)c1cnc(-c2ccccn2)nc1 55183125 FPPXQXJEJGBHKL-INIZCTEOSA-N 362.433 2.809 0 50 FFAA CN1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@@]12CCNC(=O)CC2 107412391 SFOBVRHKCPYXFJ-QGZVFWFLSA-N 373.394 2.631 0 50 FFAA COc1ccc(-c2noc(CCCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 101436860 PMIXDXCPLZTCBD-IYBDPMFKSA-N 367.405 2.629 0 50 FFAA Cc1ccc(F)c(NC(=O)CCC(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 55254081 XRADGFQAZDXFLJ-AWEZNQCLSA-N 360.433 2.871 0 50 FFAA COc1cc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)nc(N)n1 67974263 URHZPDWZKBGWHI-ZDUSSCGKSA-N 368.416 2.981 0 50 FFAA COc1ccccc1-c1cc(CN[C@@H](C)C(=O)Nc2nccs2)on1 65406364 DDWAYVGDRKAYLX-NSHDSACASA-N 358.423 2.924 0 50 FFAA NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCc2occc21 119600934 BQDGBFHTPDUKJT-DLBZAZTESA-N 366.421 2.534 0 50 FFAA CC1(C)C[C@@]1(C(=O)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1)c1cccs1 23340350 ZYTIXROYPLTAIW-YJYMSZOUSA-N 357.479 2.905 0 50 FFAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@]2(CCCNC2)C1 66323454 ZJJGLQVTFKLEIK-SFHVURJKSA-N 355.479 2.596 0 50 FFAA CN(C)[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1F 65457637 OADDNLGNWXTVBR-FQEVSTJZSA-N 369.440 2.872 0 50 FFAA O=C([C@@H]1COc2ccccc21)N1CCN(c2ncnc3ccsc23)CC1 126727668 HTUGIKSWUUQHQD-CQSZACIVSA-N 366.446 2.516 0 50 FFAA NC(=O)COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 1070593 SSDOHIYEGYDMFT-OQLLNIDSSA-N 356.765 2.549 0 50 FFAA O=C(O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 12336761 QZLGYHOJUHNZKB-HNAYVOBHSA-N 353.374 2.980 0 50 FFAA CCc1ccc(CN2C[C@@H](C(=O)O)C[C@H](C(=O)Nc3ccc(C)nc3)C2)o1 71765293 MQSVBQNZTPCINW-GJZGRUSLSA-N 371.437 2.707 0 50 FFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc(CN2CCCC2=O)c1 237070705 OPDXXINIFWTLID-UHFFFAOYSA-N 366.417 2.779 0 50 FFAA O=C(O)c1cc(-c2ccoc2)cc(S(=O)(=O)NCc2ccccn2)c1 72133743 XOGHOWIMUFOOIG-UHFFFAOYSA-N 358.375 2.518 0 50 FFAA O=C(O)CCc1cc2n(n1)CCCN(Cc1nc3c(s1)CCCC3)C2 72463342 IZRYXDUHCDCNKN-UHFFFAOYSA-N 360.483 2.642 0 50 FFAA O=C1CCC(c2ccc(NC(=O)c3noc4c3CCCCC4)cc2)=NN1 155470291 VXPRDPXQCVIKEK-UHFFFAOYSA-N 352.394 2.810 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2ccccc2-n2cncn2)[C@@H](C)C1 77504738 JJVWRJWJXBGILN-KRWDZBQOSA-N 361.449 2.927 0 50 FFAA O=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CCO1 262040944 CTHCGOVONXWRLL-OAHLLOKOSA-N 353.802 2.587 0 50 FFAA O=C(c1ccn2nnnc2c1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71751831 HXCBPSIGUZWNHI-CQSZACIVSA-N 371.391 2.888 0 50 FFAA CN(C)CCN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)C[C@@H]1CCCO1 77319190 PTEUVAOLQDQZFH-HNNXBMFYSA-N 363.889 2.724 0 50 FFAA O=S(=O)(c1ccccc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17074322 NRMJYGKCXYVRKM-UHFFFAOYSA-N 360.523 2.962 0 50 FFAA CC(=O)N[C@@H](CC(=O)NCCc1cccc(C(=O)O)c1)c1ccc(C)cc1 262265332 XGMQYMPIMOANAY-IBGZPJMESA-N 368.433 2.619 0 50 FFAA CCN1CC2(CCN(C(=O)[C@H](C)Oc3ccc(F)cc3F)CC2)OC1=O 77356361 XDPHEOFCGQTRPA-LBPRGKRZSA-N 368.380 2.565 0 50 FFAA O=C(c1n[nH]c2ccccc12)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72119558 PVQAPGFJKQJXQL-GOSISDBHSA-N 360.461 2.878 0 50 FFAA Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCOc2ccccc21 176175088 YRFKKUVDIKPCJE-IAGOWNOFSA-N 354.454 2.932 0 50 FFAA COc1nc2c(cc1CNc1ccnc(C)n1)C(=O)N(C1CCCC1)C2 71754455 BYAVOMNFAXNEDQ-UHFFFAOYSA-N 353.426 2.699 0 50 FFAA Cn1cccc1-c1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)[nH]n1 82120777 HFQKRAMLUVXYSY-HNNXBMFYSA-N 352.442 2.697 0 50 FFAA CN1CCN(C(=O)c2cc(Cl)ccc2OCCN)[C@@H](c2ccccc2)C1 426615216 VJJCTWZEMHQSRD-GOSISDBHSA-N 373.884 2.806 0 50 FFAA Cc1nc(O)cc(CNC(=O)c2oc(COc3ccccc3)cc2C)n1 220038548 FTZPCDXXZYKYBQ-UHFFFAOYSA-N 353.378 2.901 0 50 FFAA Cc1ccccc1N1CCN(C(=O)c2nc3cccc(C)n3c2F)CC1=O 82108496 KQWGAIBZOJSVGH-UHFFFAOYSA-N 366.396 2.579 0 50 FFAA O=C(O)c1csc(CCNC(=O)N2CCCC[C@@H]2c2cccnc2)n1 426414246 FNVFHYZIDBLVNH-CQSZACIVSA-N 360.439 2.716 0 50 FFAA CN(C)c1nc(-c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)ncc1F 426515534 NEXXNVKGCIFTKM-UHFFFAOYSA-N 370.428 2.744 0 50 FFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1ccc(Cn3cccc3)cc1)CC2 426479053 UCYBJBXNHNNQCT-IRFCIJBXSA-N 354.450 2.681 0 50 FFAA COc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)o1 426596645 SFMNSMZCXOSRRU-PTSWNOGYSA-N 372.421 2.914 0 50 FFAA CCc1c(C)sc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C(=O)OC 239046981 GAWNZIMNXARRSY-XRRVDJEJSA-N 363.435 2.867 0 50 FFAA O=C(NCCCN1CCC[C@H](CO)C1)N1CCC(c2ccccc2)CC1 426536486 OYIJZJCGXPWDTE-SFHVURJKSA-N 359.514 2.670 0 50 FFAA Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(C/C=C/c2ccccc2)C1 91997848 MQFWNEMBTSEBFN-SQUITACLSA-N 362.481 2.953 0 50 FFAA COC[C@@H](NC(=O)Nc1c(C)c(-c2ccccc2)nn1C)c1ccnn1C 96153457 VRYKNSAETBVNSC-OAHLLOKOSA-N 368.441 2.638 0 50 FFAA O=C(c1cccc([C@@H]2CCCNC2)c1)N(CCCO)Cc1ccncc1 95379352 ZYROBBCERXXFHI-HXUWFJFHSA-N 353.466 2.573 0 50 FFAA Cc1cnc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)cn1 91365101 PXDJRWKWLQIBCM-FQEVSTJZSA-N 353.422 2.885 0 50 FFAA CN(C)C(=O)[C@@H]1CC[C@](C)(C(=O)NCCN(C)c2ccccc2)C1(C)C 91425398 NRJQRIYWJLXBGQ-LAUBAEHRSA-N 359.514 2.770 0 50 FFAA CCCc1nc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 91325833 HAZKIIVQDWZDLP-GFCCVEGCSA-N 359.451 2.640 0 50 FFAA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1cccc(Cl)c1F 95518714 HGGFPOFFYMQSQP-SNVBAGLBSA-N 355.801 2.990 0 50 FFAA O=C(c1cncc(NC[C@H]2COc3ccccc3C2)n1)N1CCCCC1 91690589 BWTFPFBMPBDMQY-HNNXBMFYSA-N 352.438 2.766 0 50 FFAA CC(C)c1nc(CCN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)no1 96138577 BKJZBOSFUGAVOW-UHFFFAOYSA-N 373.457 2.530 0 50 FFAA COc1ccc(NC(=O)NC2Cc3ccccc3C2)cc1C(=O)N(C)C 97436888 PICDUBDTJKZRPJ-UHFFFAOYSA-N 353.422 2.686 0 50 FFAA Cc1cc(N2CCC3(CC2)CN(C)C(=O)O3)nc(Nc2cccc(O)c2)n1 95376015 MAAIUUFDNWWLTB-UHFFFAOYSA-N 369.425 2.655 0 50 FFAA CC(C)c1noc(CN(C)CCC(=O)NCc2cccc(Cl)c2)n1 244659891 HKQXYAKSZSODDL-UHFFFAOYSA-N 350.850 2.985 0 50 FFAA O=C(CCc1nc(-c2ccccn2)no1)Nc1ncn(C2CCCCC2)n1 182683538 WLCDIUHUPIDZJX-UHFFFAOYSA-N 367.413 2.800 0 50 FFAA Cc1nc(C)c(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)s1 244787612 QAGIYXFPEXBYCQ-YRNRMSPPSA-N 372.490 2.866 0 50 FFAA CN1CCC[C@@H](C(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)C1 243893335 APYWBJYQVZJFOO-RHSMWYFYSA-N 369.440 2.649 0 50 FFAA O=C(NCCN1CCCOC1=O)c1cccc(N2Cc3ccccc3C2)c1 244602071 DXBOELHXBOGNTQ-UHFFFAOYSA-N 365.433 2.779 0 50 FFAA Cc1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c1 252539652 OGJSNAAYOWPLBL-SVMVAKDDSA-N 367.445 2.937 0 50 FFAA NC(=O)c1cccc(-c2ccccc2OC[C@H](O)CN2CCCCC2)c1 299787228 ZVBBDYNFKYDTLQ-GOSISDBHSA-N 354.450 2.678 0 50 FFAA FC(F)(F)c1cnc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c(Cl)c1 299794972 KKZQUSAJAUQELM-RYUDHWBXSA-N 359.739 2.696 0 50 FFAA CC(C)[C@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)N1CCCC1 584903497 BYRWJEFRGMMPCW-FQEVSTJZSA-N 374.529 2.893 0 50 FFAA CC(C)(C)N1C[C@@H](C(=O)NCC2(N3CCCCC3)CCCCC2)CC1=O 497710173 FECFEGWQBVUIHM-KRWDZBQOSA-N 363.546 2.938 0 50 FFAA CC(C)c1noc(C2CCN(C(=O)c3cc(-c4cccn4C)[nH]n3)CC2)n1 1506413555 IZVCFZZZUQAHLT-UHFFFAOYSA-N 368.441 2.941 0 50 FFAA Cc1nc(S(=O)(=O)NCCCSCc2ccc(Cl)cc2)cn1C 670470541 CESDXMFPROMFFY-UHFFFAOYSA-N 373.931 2.984 0 50 FFAA CC(C)(C)OC(=O)N1CCn2ncc(-c3cccc4nc(O)[nH]c34)c2C1 1875291558 DMWWFSUISAGTCE-UHFFFAOYSA-N 355.398 2.883 0 50 FFAA COC(=O)C1CCN(C(=O)N2CCC(Cc3cccc(OC)c3)CC2)CC1 1875262290 HOYZJTAEINBXFU-UHFFFAOYSA-N 374.481 2.955 0 50 FFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC2(CC1)CN(C)c1ccccc12 1875313649 VSAJUJBEHSEHJR-LJQANCHMSA-N 369.509 2.692 0 50 FFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)cc1 1875373782 OQPTWGPSAFAWTO-IBGZPJMESA-N 354.410 2.582 0 50 FFAA CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)C1(c2ccncc2)CC1 1875301054 BHDDIDQSOCUDTI-QGZVFWFLSA-N 351.406 2.597 0 50 FFAA CN(C)Cc1nc2ccc(NC(=O)c3ccc4nc(O)oc4c3)cc2[nH]1 1875358084 IUYGCPVIKNZXCV-UHFFFAOYSA-N 351.366 2.724 0 50 FFAA COc1cc(C2CN(C(=O)c3n[nH]c4c3C[C@H](C)O[C@@H]4C)C2)ccc1F 1875396705 RNEYYOQPQAZLSW-WDEREUQCSA-N 359.401 2.819 0 50 FFAA Cc1ncn(-c2ccc(NC(=O)c3cc(F)cc(C(N)=O)c3)cc2)c1C 1875356357 IWHBMHYSVRLCSH-UHFFFAOYSA-N 352.369 2.979 0 50 FFAA O=C(Cn1ccc2ccc(Br)cc21)N1CCc2nc[nH]c2C1 888103873 HFAJJQVAPAECFT-UHFFFAOYSA-N 359.227 2.712 0 50 FFAA C[C@H]1Cc2cc(NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)ccc2O1 885594812 SQGMDANWXRWWLH-AWEZNQCLSA-N 366.417 2.735 0 50 FFAA O=C(CN1Cc2ccccc2C1=O)N[C@H]1CCCOc2cc(F)ccc21 272120904 JWYPJUWTGMDWRS-KRWDZBQOSA-N 354.381 2.812 0 50 FFAA O=C(O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)c2ccccc21 170633438 RLFLNZDCJRDYSX-SECBINFHSA-N 373.217 2.766 0 50 FFAA O=S(=O)(Nc1nncn1-c1ccccc1)c1cc(F)ccc1Cl 225531960 NUUZRMQAWKERCT-UHFFFAOYSA-N 352.778 2.861 0 50 FFAA CCn1cc([C@@H]2CN(S(=O)(=O)C3=Cc4ccccc4CC3)CCO2)cn1 189219756 REMQWTNXFIEMAY-IBGZPJMESA-N 373.478 2.593 0 50 FFAA O=C(NCCc1nnc2n1CCCCC2)c1cc(Br)cs1 195006860 XPIJNJWFFONSMT-UHFFFAOYSA-N 369.288 2.801 0 50 FFAA Cc1cc(F)ccc1N1CCC(N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 1529178540 NFMWRLGNMYUTGB-MRXNPFEDSA-N 368.518 2.860 0 50 FFAA CCCOc1c(CN2C[C@@H]3COCC[C@]3(CO)C2)cc(Cl)cc1OC 1772704489 BRGRTGAVDNHYCU-DNVCBOLYSA-N 369.889 2.968 0 50 FFAA CC(C)(C)c1cc(-c2nccn2-c2ccc3c(c2)ncn3CCO)[nH]n1 1775977334 FRJYRQGCBRMIBF-UHFFFAOYSA-N 350.426 2.902 0 50 FFAA COc1ccc(C(=O)N2CCCN(C3CCN(C)CC3)CC2)cc1Cl 1775983588 NZABXIIYQWZRFX-UHFFFAOYSA-N 365.905 2.591 0 50 FFAA CC[C@@H]1c2cccn2CCN1C(=O)c1cc(Cn2nc(C)cc2C)[nH]n1 11664560 JDCVRCKFZMDYNM-QGZVFWFLSA-N 352.442 2.680 0 50 FFAA CC(C)N1C[C@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O 12373570 FDRAXVKTVRDLSC-MRXNPFEDSA-N 353.422 2.747 0 50 FFAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccnn4C)C3)C2)c1 12429504 GNONZIWZKJISQA-OAQYLSRUSA-N 352.482 2.857 0 50 FFAA Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ncc(C)s4)cc3C2=O)no1 13955128 STBWFARAEWKSMU-UHFFFAOYSA-N 368.374 2.801 0 50 FFAA Cc1cc(N2CCC(Cn3cc(CO)nn3)CC2)nc2cc(F)ccc12 19144772 KOLNOIIIFWPHSA-UHFFFAOYSA-N 355.417 2.683 0 50 FFAA CC[C@H](C)[C@H](C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1)n1cnnn1 1857525739 OISRNGRBSAUCAE-IAOVAPTHSA-N 367.457 2.890 0 50 FFAA CC(C)CN(C)C(=O)[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 1857697445 ANAIAMWCDHVQHU-HNNXBMFYSA-N 372.494 2.596 0 50 FFAA CCc1ccccc1OCC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 116781692 VVPMQLXUNGOYBA-KRWDZBQOSA-N 356.470 2.775 0 50 FFAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 900303733 PELJDXPMXYLGBP-KRWDZBQOSA-N 354.454 2.661 0 50 FFAA C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1 840569014 XSROYLMGRZMLJM-RHSMWYFYSA-N 372.465 2.539 0 50 FFAA COCCC(C)(C)C(=O)NCCN(C(=O)C1CCC(F)CC1)C1CC1 2325793167 JIABQIMTKLCAQG-UHFFFAOYSA-N 356.482 2.685 0 50 FFAA O=C(CCCc1cnccn1)O[C@H]1C[C@@H](C(=O)OCc2ccccc2)C1 2325808042 XLDKQRVINVOJLP-MAEOIBBWSA-N 354.406 2.865 0 50 FFAA O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1Cc2nccn2C1 2325859920 PPUWDQDQMJKYOD-CQSZACIVSA-N 352.369 2.698 0 50 FFAA CC[C@H](C)CC(=O)N1C[C@@H](CN=c2nc(O)c3ccccc3[nH]2)C[C@H]1C 2325866894 DDECCIDFWCCQRM-RRFJBIMHSA-N 356.470 2.842 0 50 FFAA C[C@@H](C1CC1)n1nc([C@H]2CN(C)CCO2)nc1-c1c[nH]c2ncccc12 2325880109 VFPMOPGMQMDAGV-BLLLJJGKSA-N 352.442 2.796 0 50 FFAA C=CC(=O)N1CCCc2cc(C(=O)NC(C)(C)c3noc(C)n3)ccc21 2325889758 RCSKPJDPJPVZHL-UHFFFAOYSA-N 354.410 2.508 0 50 FFAA Cc1ccc(N2C(=O)C[C@H](Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 629022 SVVYZWDLOZVVPB-IBGZPJMESA-N 365.433 2.576 0 50 FFAA O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OCO2 895100 IGXPMZOLMUTNGH-UHFFFAOYSA-N 353.422 2.566 0 50 FFAA CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 994552 ZJAXHNCBGXLYPM-UHFFFAOYSA-N 354.406 2.776 0 50 FFAA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(OC)cc3)N2C1=O 2502897 AHVRYPIGDKCUJM-UKRRQHHQSA-N 360.435 2.907 0 50 FFAA CCOC(=O)[C@H](C(=O)c1cccnc1)[C@@H](C(=O)OCC)c1ccccc1 3130198 HOUUXJLVTPCYJH-IRXDYDNUSA-N 355.390 2.791 0 50 FFAA CCOc1ccc(CN2CCN(Cc3ccncc3)C[C@H]2CCO)cc1 104555133 UDCIZAJMMAOLSG-HXUWFJFHSA-N 355.482 2.549 0 50 FFAA COc1cccc([C@@H]2CC(O)=Nc3c2c(=O)nc(SC)n3C)c1OC 9012611 RWWSQUWPUUZVFV-JTQLQIEISA-N 361.423 2.643 0 50 FFAA O=C(NCC(F)(F)F)c1ccc(NC(=O)C23CCCN2CCC3)cc1 328586502 OXZJMWYCFIIQEI-UHFFFAOYSA-N 355.360 2.546 0 50 FFAA CC(C)N1CCC(N2CCN(Cc3cccc(F)c3)C[C@@H]2CCO)CC1 20418587 GXVUKRBRJUXEGA-NRFANRHFSA-N 363.521 2.567 0 50 FFAA CCc1ccc(CN2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 67868269 ZEBOUXLPLOUNSD-KRWDZBQOSA-N 363.465 2.898 0 50 FFAA Cn1c(=O)oc2c(C(=O)N[C@H]3CCCN(c4ccccc4)C3)cccc21 121570725 ZTQYFNWILWDAGC-AWEZNQCLSA-N 351.406 2.530 0 50 FFAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)c1ccncc1Cl 328628779 OCLCYICXQNXCLP-SUMWQHHRSA-N 361.877 2.624 0 50 FFAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCCCC(C)(C)CO)n1C 328626944 MFRMKZYEUBBUSA-KRWDZBQOSA-N 363.502 2.627 0 50 FFAA CO[C@@H]1CCC[C@H](CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)C1 330133876 RMDRAQKXJXVWCO-RYQLBKOJSA-N 371.543 2.930 0 50 FFAA Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c1 67757667 VMOLTOYSJKVJAF-UHFFFAOYSA-N 352.394 2.933 0 50 FFAA O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@@H]1c1nnc2n1CCCC2 127079580 NZVSNQSMNQSOOP-MRXNPFEDSA-N 364.453 2.787 0 50 FFAA O=C(N[C@H](c1ccccc1)c1ccncc1)C1CCN(C(=O)C2CC2)CC1 69727456 PJQPCNQHBWVFDO-HXUWFJFHSA-N 363.461 2.936 0 50 FFAA COc1ccccc1S(=O)(=O)C[C@@H](O)COc1ccccc1Cl 1399268 GBDJFXSGRHNCTO-LBPRGKRZSA-N 356.827 2.562 0 50 FFAA c1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCOCC3)no2)cc1 72172615 MVKDVWFDRXOJJJ-SFHVURJKSA-N 356.470 2.813 0 50 FFAA COc1ccc(CN2CCC3(CCNCC3)CC2)cc1Cn1cccn1 72161083 MYLVAUOAJGBIID-UHFFFAOYSA-N 354.498 2.906 0 50 FFAA Cc1cnc(C)c(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1 77425137 ZNQLDBOFCGCYEK-UHFFFAOYSA-N 363.421 2.711 0 50 FFAA CCn1cc(NC(=O)c2nn(-c3cccc(Cl)c3)nc2C)ccc1=O 131458571 FNYHXZUSTQJZEY-UHFFFAOYSA-N 357.801 2.663 0 50 FFAA CCN1CC2(CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)OC1=O 77408163 MFKDDJQQYPIVKK-CYBMUJFWSA-N 366.845 2.941 0 50 FFAA Cc1nn(C)cc1NC(=O)CN1CCC[C@H](C(=O)CCc2ccccc2)C1 72174234 SFQPDEYZOMDIQS-SFHVURJKSA-N 368.481 2.581 0 50 FFAA CC(=O)c1c(C)nn(CCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1C 71759592 UPDRNHDBMOWDMA-SFHVURJKSA-N 373.428 2.832 0 50 FFAA CCN1CCN(C(C)(C)Cn2ccnc2-c2ccccc2C(=O)O)CC1 77425270 KKTHKFDGZCYMHI-UHFFFAOYSA-N 356.470 2.664 0 50 FFAA COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@](O)(C(F)(F)F)CC1)CO2 287700000 DHLMATRLBUJQJZ-CXAGYDPISA-N 373.371 2.552 0 50 FFAA COc1cc(OC)cc(N2CC[C@H](NC(=O)C3=CCCCCC3)C2=O)c1 154044014 UXWJQDUGUVPASH-SFHVURJKSA-N 358.438 2.816 0 50 FFAA Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)on1 72410254 CMFQIBWNBBLJOR-GOEBONIOSA-N 373.478 2.740 0 50 FFAA COc1ccc(CN(C(=O)CN2CCC[C@H](CCC(=O)O)C2)C2CC2)cc1 263114853 LIRNRGJJNDNNSH-MRXNPFEDSA-N 374.481 2.763 0 50 FFAA O=C(Cn1cccnc1=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 376036924 AMGSOFPNJGUHPR-CQSZACIVSA-N 365.355 2.668 0 50 FFAA CC1(C)NC(=O)N(CC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)C1=O 222908694 ATXNHAYEFZLTQS-OAHLLOKOSA-N 361.417 2.600 0 50 FFAA Cc1ncn(CCNC(=O)CC2CCN(Cc3ccccc3)CC2)c1C 221376847 QJCNXIPNAHDXMB-UHFFFAOYSA-N 354.498 2.918 0 50 FFAA Cc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc2ccc(F)cc12 82120535 UTAOCYGHFAOLPK-NRFANRHFSA-N 371.456 2.884 0 50 FFAA O=C(CN1CCOCC1)N1CCc2ccccc2[C@H](c2ccccc2)C1 19370023 QJFFTXPMXOFWLV-NRFANRHFSA-N 350.462 2.535 0 50 FFAA CC(C)Cc1cc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)n(C)n1 82107577 UZOHKJJSFCNYLN-MRXNPFEDSA-N 355.486 2.660 0 50 FFAA CN(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cn1 46123676 GEWNWNISMNAMKK-RMKNXTFCSA-N 350.466 2.619 0 50 FFAA COc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)CCN1CCOCC1 426547626 NCUHGVLROFGGND-CQSZACIVSA-N 369.893 2.601 0 50 FFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)c1cccc2c1OCCO2 223443736 JBEQBOJLFHPWLP-UHFFFAOYSA-N 373.315 2.716 0 50 FFAA Cc1ccc(-c2n[nH]cc2CN2CCC(n3cc([C@@H](C)O)nn3)CC2)cc1 19885601 ZSJYCYOHMITTQC-OAHLLOKOSA-N 366.469 2.867 0 50 FFAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(C(=O)c1cc(C)no1)CC2 426685409 QBOMFUCRLPKJCZ-SIXWZSSISA-N 357.410 2.609 0 50 FFAA COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)N[C@@H]2CCOC2)cc1 426662062 GSFUGDLLIVNSRK-OAHLLOKOSA-N 355.390 2.668 0 50 FFAA Cc1nnnn1Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 426615602 VVUQWZDJJJAKJX-UHFFFAOYSA-N 359.433 2.959 0 50 FFAA CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C)ccc1OC)CC2 91915251 LMBJLLFDGUUSAW-UHFFFAOYSA-N 368.481 2.736 0 50 FFAA OCCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 95511641 CKXXCIBYPHMFLA-HSZRJFAPSA-N 372.553 2.729 0 50 FFAA CN1CCC[C@@H](CN2CCN(C(=O)Nc3cccc(Cl)c3F)CC2)C1 95527204 CLQSHVCRIQGOGU-CQSZACIVSA-N 368.884 2.970 0 50 FFAA Cc1ccc2nc(C(=O)N3CCCN(C4Cc5ccccc5C4)CC3)cn2c1 91365299 VQYTXSSFNWJRGC-UHFFFAOYSA-N 374.488 2.958 0 50 FFAA CCCCS(=O)(=O)N1CCC(c2nccn2Cc2cccnc2)CC1 91807414 ZZZUNGSHSWQCFB-UHFFFAOYSA-N 362.499 2.636 0 50 FFAA COc1cccc([C@H]2CCN2C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)c1 96153892 CPKUBGCPZVARMI-QGZVFWFLSA-N 374.462 2.547 0 50 FFAA CC(=O)c1cnc(N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)nc1C 95371667 BBTZOBXROKFMDP-OAHLLOKOSA-N 364.409 2.817 0 50 FFAA O=C1CCC(C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)=NN1 91713078 GVYATZQAMIJBJR-UHFFFAOYSA-N 361.445 2.861 0 50 FFAA NC(=O)Cn1ccnc1[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 95504389 HZWVJFAVXNQOBT-AWEZNQCLSA-N 366.387 2.767 0 50 FFAA C[C@H](c1ccc(C(=O)N(CCO)Cc2nccs2)o1)N1CCCCC1 97634993 NRNPOIOGNHGAQK-CQSZACIVSA-N 363.483 2.918 0 50 FFAA COC(=O)c1ccc(OC)c(NC(=O)N[C@@H](C)c2nncn2C(C)C)c1 96163058 WCYDXTXBVYJZPH-NSHDSACASA-N 361.402 2.537 0 50 FFAA O=C(NCCc1nc2c(s1)CCC2)[C@H]1CCCN(Cc2ccco2)C1 95527401 IAMJKXJRKWSTDY-AWEZNQCLSA-N 359.495 2.796 0 50 FFAA Cc1cc(C)n2ncc(C(=O)NC[C@@H](c3sccc3C)N(C)C)c2n1 97553212 VSNBCOLXFGRFAY-HNNXBMFYSA-N 357.483 2.749 0 50 FFAA O=C(O)[C@@H]1CCCN1C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1 299745647 RPKOLNLBHPVNBZ-HNNXBMFYSA-N 368.418 2.685 0 50 FFAA NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 299738597 CQNJKBXKMZTADO-KCQAQPDRSA-N 370.419 2.560 0 50 FFAA COc1ccc(Cc2[nH]nc(O)c2[C@@H](CC(N)=O)c2ccccc2)cc1 252493135 MZWWOVZCAYFEHI-INIZCTEOSA-N 351.406 2.722 0 50 FFAA NC(=O)C1(NC(=O)NCC2(COc3ccccc3)CC2)CCCCCC1 534583357 UXLBZZDILOZYJR-UHFFFAOYSA-N 359.470 2.723 0 50 FFAA CCNC(=O)c1cccc(NC(=O)NCCc2nc3c(s2)CCC3)c1 299757607 HMTHZPUZDMFTBN-UHFFFAOYSA-N 358.467 2.746 0 50 FFAA CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCCC1)Cc1ccccn1 299780187 RXKKWKMTVRPJBF-NRFANRHFSA-N 366.509 2.857 0 50 FFAA Cc1ccc(N2CCCC2=O)cc1NC(=O)NCc1cn2c(n1)SCC2 299764212 YHULQFAAUBICRD-UHFFFAOYSA-N 371.466 2.746 0 50 FFAA N[C@@H]1COC[C@@H]1C(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 1875276935 OSRKBPNDHVIFTD-QWHCGFSZSA-N 371.384 2.665 0 50 FFAA Cc1nc2c(cc1NC(=O)[C@H]1[C@H]3CC[C@@]1(c1ccnn1C)C3)c(C)nn2C 1875395321 AQWVRQPCGTXRKN-ZLXGRDSLSA-N 364.453 2.625 0 50 FFAA COc1cc2c(-c3ccnc(N[C@H]4CC[C@H](N)CC4)n3)cn(C)c2cn1 1875313928 YCGKETKAGHYYNN-JOCQHMNTSA-N 352.442 2.721 0 50 FFAA Cc1cc(CN2CC[C@@H](NC(=O)c3cccc(Cl)c3F)C2)nn1C 1875302946 OTRKWNNRYUQRGY-GFCCVEGCSA-N 350.825 2.525 0 50 FFAA O=C(NCc1ccccc1)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 891418347 LQBZEOYBGPYWAK-SFHVURJKSA-N 358.463 2.758 0 50 FFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCc3cc(O)ccc3C2)cc1 1336831110 XUOAOPSRCYPFCN-FQEVSTJZSA-N 364.445 2.777 0 50 FFAA CCCn1ncc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c1C 1565511660 QNQOOGCVOTWGFD-WBVHZDCISA-N 373.526 2.795 0 50 FFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCN(c2ccccn2)CC1 275442783 FYNJAQCCLPYIME-HKUYNNGSSA-N 355.486 2.777 0 50 FFAA CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NCc2ccc(C(N)=O)cc2)ncn1 275715054 OGXAWDHQFBUKDJ-LPHOPBHVSA-N 369.469 2.803 0 50 FFAA Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(N(C)CCCO)CC2)s1 187332720 LPIFYHSEDOFFSL-UHFFFAOYSA-N 361.511 2.970 0 50 FFAA CCCC(=O)N1CCC[C@@H](C(=O)OCc2cccc(Br)n2)C1 225858255 ARGZMXAILBRNRE-GFCCVEGCSA-N 369.259 2.926 0 50 FFAA CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)COc1ccc2c(c1)CCC(=O)N2 741751909 IPNCSJKRPZRPSZ-NIKGAXFTSA-N 359.422 2.697 0 50 FFAA CO[C@](C)(C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1)c1ccccc1F 192161443 HSPWATGYSJJRJX-YJYMSZOUSA-N 360.433 2.533 0 50 FFAA COC(=O)[C@H]1CCN2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 192402164 ZIQJCXQLBCMRDU-UFBFGSQYSA-N 357.193 2.714 0 50 FFAA O=C(Nc1cccc(C(=O)N(CCO)CC(F)F)c1)C1CCCCC1 194402904 XHYZTXFZOWRLEE-UHFFFAOYSA-N 354.397 2.905 0 50 FFAA Cc1cc2nc(C(=O)N(C)Cc3nc4ccc(F)cc4[nH]3)cc(C)n2n1 1506429670 VXRRMKLBCWOOPY-UHFFFAOYSA-N 352.373 2.634 0 50 FFAA CN1CCC(n2nccc2NC(=O)c2cc(-c3ccccc3)n(C)n2)CC1 1529101826 NIWWEQFNPGUWCH-UHFFFAOYSA-N 364.453 2.803 0 50 FFAA O=C(O)[C@H]1CN(C(=O)CCc2cccc(Cl)c2)CC12CCOCC2 1800414570 UJSYLVRTTVBHAW-OAHLLOKOSA-N 351.830 2.612 0 50 FFAA CCOc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1OCC 1615963326 FPIAOUJNUAVIDU-ROUUACIJSA-N 370.449 2.867 0 50 FFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775980450 AXLZABWZXPDBBI-OAQYLSRUSA-N 364.449 2.657 0 50 FFAA COCCN1CCC[C@]2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1=O 11843978 PSCTXSJJPNAHGC-GOSISDBHSA-N 368.836 2.580 0 50 FFAA O=C(CN1CCOC1=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 11933767 IJCLOUSWXJYEHV-CQSZACIVSA-N 352.381 2.588 0 50 FFAA C[C@@H](COc1ccccc1)N1CCC(CCC(=O)N2CCOCC2)CC1 11934653 URBGRBCEYUZCBY-SFHVURJKSA-N 360.498 2.805 0 50 FFAA O=C1CCCCN1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 12002241 KOIDZKDYQJPMCW-UHFFFAOYSA-N 358.463 2.725 0 50 FFAA COc1ccc(C[C@@H]2CN(C(=O)c3ccc4nccnc4c3)CCO2)cc1 12094095 PICTXJGNAINECA-GOSISDBHSA-N 363.417 2.722 0 50 FFAA O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]1N1C(=O)c2ccccc2C1=O 12377214 UWFSWSSYDYLUBT-HDICACEKSA-N 374.396 2.890 0 50 FFAA COCCN1CCC[C@]2(CCN(Cc3sc(N(C)C)nc3Cl)C2)C1 12574478 ICNYIMZRDCCHEC-KRWDZBQOSA-N 372.966 2.797 0 50 FFAA CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc(C)c1C 16115535 NPZNXLUTJFESDA-PHIMTYICSA-N 354.472 2.589 0 50 FFAA COc1ccc(OCC(=O)N2CCN(CCCc3ccccc3)CC2)cc1 19789469 WVIRTGPXCQDASG-UHFFFAOYSA-N 368.477 2.851 0 50 FFAA CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 19899011 IYGYMKDQCDOMRE-ZWKOTPCHSA-N 367.357 2.585 0 50 FFAA biogenic,in-vivo Cc1nc(O)c2c(n1)[C@]1(CCCN(c3ncnc4sccc34)C1)CC2 1857668034 XCENDLKXUJMRHP-GOSISDBHSA-N 353.451 2.980 0 50 FFAA C1CCC(CN2CC[C@]3(C2)Cn2c(nnc2C2CCOCC2)CO3)CC1 1857689385 ONFWDIKHZFWPHC-FQEVSTJZSA-N 360.502 2.727 0 50 FFAA COCCn1cncc1CN1CCc2[nH]nc(-c3ccccc3)c2CC1 1857697352 QXXCOVMQNVEHTB-UHFFFAOYSA-N 351.454 2.520 0 50 FFAA O=C(CC1CCCC1)NC[C@H]1[C@H]2CN(c3ncccc3F)C[C@]23CC[C@H]1O3 1857736011 LSDJMVTZIUZYKU-LTVCHDBBSA-N 373.472 2.901 0 50 FFAA O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 1125126 TZNJALJCKMCDAY-UHFFFAOYSA-N 358.357 2.525 0 50 FFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c(O)c1 220035728 RRFVEKMLBYMUAO-SJORKVTESA-N 367.449 2.532 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cc2)[nH]1 237738984 SWSNDZJHLOZNPE-PMPSAXMXSA-N 354.410 2.638 0 50 FFAA O=C(c1ccccn1)N1C[C@H]2CC[C@@H](C1)N(CCOc1ccc(F)cc1)C2 247874396 NGBBODAOWGCENQ-WMZOPIPTSA-N 369.440 2.836 0 50 FFAA O=C(CC[C@H]1CCCCO1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 155818051 KYELGUNLQGVOKM-MRXNPFEDSA-N 356.470 2.556 0 50 FFAA COc1cc(Cl)c(F)c(C(=O)N[C@]2(c3ncc(C)[nH]3)CCOC2)c1 818665237 DHHRNBVDEBAYDJ-MRXNPFEDSA-N 353.781 2.565 0 50 FFAA O=C(c1cccc2c1COC2)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 2100554913 HNAPHRJTUMSGMU-VGOFRKELSA-N 374.440 2.941 0 50 FFAA C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)[C@H]1CCCc2c1ncn2C 2325780126 JICYHQSMQBGQDD-AZOIQLNYSA-N 357.429 2.968 0 50 FFAA Cc1ccc2nc(C(=O)NCc3cc(C4CCNCC4)no3)ccc2c1 2325795244 SHPWZFVNGSNSSQ-UHFFFAOYSA-N 350.422 2.928 0 50 FFAA Cc1cc(NS(=O)(=O)c2cn(CC(C)C)nc2C)cc(C(=O)O)c1 2325828386 FZNVKJUKIAYZFZ-UHFFFAOYSA-N 351.428 2.655 0 50 FFAA C[C@@H](NC(=O)c1ccc(F)c2c1OCC2)c1ccc(-n2cncn2)cc1 2325848706 OVJJAEKTWXPAKK-GFCCVEGCSA-N 352.369 2.832 0 50 FFAA C[C@H](NC(=O)c1ccc(F)c2c1OCC2)c1ccc(-n2cncn2)cc1 2325848707 OVJJAEKTWXPAKK-LBPRGKRZSA-N 352.369 2.832 0 50 FFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(C(C)=O)CCS3)C1 2325888727 UXBSRKONUNYYFH-AWEZNQCLSA-N 373.478 2.508 0 50 FFAA COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 892655 WSXBAXLEVDIJGF-UHFFFAOYSA-N 362.432 2.961 0 50 FFAA NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1 1088670 IEOXNAPMZGZAFC-UHFFFAOYSA-N 373.261 2.613 0 50 FFAA O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 1209703 RJPVOJHKPMJOET-UHFFFAOYSA-N 352.843 2.977 0 50 FFAA COc1cccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)c1 4736496 WOBAKXCYBSCPBS-UHFFFAOYSA-N 361.452 2.678 0 50 FFAA CCCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1C 4866836 KRBTWQBDGNGCJD-UHFFFAOYSA-N 362.455 2.675 0 50 FFAA CNC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c1 114567609 DULGFOTYBWKVHQ-INIZCTEOSA-N 355.442 2.766 0 50 FFAA Cc1nc(CN2CCC(C(=O)N[C@@H]3CCCc4nn(C)cc43)CC2)cs1 283273808 RWLDOIAJEAXHRM-QGZVFWFLSA-N 373.526 2.591 0 50 FFAA Cc1[nH]c2nc(NCc3cccs3)nn2c(=O)c1Cc1ccccc1 9330106 MAQQFIVJLYLSHC-UHFFFAOYSA-N 351.435 2.990 0 50 FFAA CCCC(=O)Nc1ccc(CC(=O)NCCc2nc(C)cc(C)n2)cc1 55153582 GXKIQGOGAABIAS-UHFFFAOYSA-N 354.454 2.733 0 50 FFAA Cc1nnc(SCCCNC(=O)CCn2cnc3ccccc32)s1 55225212 VPVYIWKUDKCFRA-UHFFFAOYSA-N 361.496 2.885 0 50 FFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2nc3ccccc3n2C)cn1 328627689 GMQTTYVPOMJSIT-BEFAXECRSA-N 352.442 2.740 0 50 FFAA CC[C@H](C)Sc1nnc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)s1 59745538 JCADZQUKMPNKHJ-QWRGUYRKSA-N 371.532 2.761 0 50 FFAA O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCN2CCC[C@H]2C1 247801695 WGENWDXSKSEBOZ-GJZGRUSLSA-N 359.297 2.903 0 50 FFAA CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(C)cc1 23785829 LCRNRJZAAOVUAH-QGZVFWFLSA-N 352.500 2.624 0 50 FFAA CCN(CC)CCc1nnc(NC(=O)NCc2csc(C)n2)s1 23505005 NEZKEOBYNNSCIQ-UHFFFAOYSA-N 354.505 2.509 0 50 FFAA CC(C)C[C@@]1(CO)N[C@H](c2ccccc2Cn2cccn2)[C@@H]2CN(C)C[C@@H]21 65373248 IVTLTDHERLOVTO-MBDNFAEBSA-N 368.525 2.531 0 50 FFAA O=C(CN1CCc2onc(-c3ccccc3F)c2C1)NCc1ccccn1 67458022 IUJOCOHHAPJORQ-UHFFFAOYSA-N 366.396 2.550 0 50 FFAA Cc1cnn(-c2cc(N3CCN(Cc4cccc5[nH]ccc45)CC3)ncn2)c1 67868110 UISKDBRLKOLMFE-UHFFFAOYSA-N 373.464 2.774 0 50 FFAA COCCn1c([C@@H](C)NC(=O)c2c(C)cc(C)nc2O)nc2ccccc21 409414247 JKSJDHMMZRRKHU-CQSZACIVSA-N 368.437 2.891 0 50 FFAA COc1ccc(CC(=O)NC[C@H]2CCCN(C3CCSCC3)C2)cc1 11934623 MRDQKSCBPQTLGE-QGZVFWFLSA-N 362.539 2.962 0 50 FFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(NC(C)=O)ccc1Cl 65382525 DRDCYOIBBOHYKR-INIZCTEOSA-N 365.861 2.771 0 50 FFAA Cc1noc(C)c1-c1noc([C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)n1 351159668 UXZKZMWYVRJHPQ-DYVFJYSZSA-N 368.393 2.830 0 50 FFAA Cc1ccc(CN(CCO)C(=O)c2cnn(Cc3ccccc3)c2)s1 215686790 YPGLXAKCZFKNMK-UHFFFAOYSA-N 355.463 2.936 0 50 FFAA CCCCN1C[C@@]2(CCCN(C(=O)c3cnn4ccccc34)C2)CCC1=O 77320502 KGLFZMKUIDABDQ-OAQYLSRUSA-N 368.481 2.979 0 50 FFAA Cc1cccnc1CN(Cc1ccccc1)C(=O)[C@H]1NCCc2[nH]cnc21 72424869 ONNXFIOMNFVCEU-FQEVSTJZSA-N 361.449 2.529 0 50 FFAA CCc1ccc(Cn2nnc(C(=O)NC[C@@H](O)c3ccsc3)c2C)cc1 252492582 MPQUJDIXHOSSBS-QGZVFWFLSA-N 370.478 2.722 0 50 FFAA CCOC(=O)c1cccnc1N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72156735 UYXGTQCXIIUVPY-HXUWFJFHSA-N 351.406 2.749 0 50 FFAA CCOc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1OCc1ccncc1 153922536 ZKXWIIOTIYYDMO-HOTGVXAUSA-N 369.465 2.882 0 50 FFAA CC(C)c1nn(C)c2sc(C(=O)N[C@H](CC(F)(F)F)C(=O)O)cc12 263034051 RCVLGBKJIOCCTF-MRVPVSSYSA-N 363.361 2.894 0 50 FFAA O=C1CCc2cc(F)c(NC(=O)N3CCOC[C@@H](C4CCC4)C3)cc2N1 366610621 IZIWNKKCTFGWDE-AWEZNQCLSA-N 361.417 2.991 0 50 FFAA O=C1CC[C@H]2CN(Cc3ccccc3F)CC[C@H]2N1CCc1c[nH]cn1 72447202 HLGGRHZFSGRRLD-QFBILLFUSA-N 356.445 2.604 0 50 FFAA CCn1ncc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1C 77458140 VMWIJNXCOGYCKD-UHFFFAOYSA-N 354.498 2.992 0 50 FFAA CC(=O)N/C(=C/c1ccccc1)C(=O)N1CC[C@H](O)c2ccccc2C1 378632442 KCYOMZZTGKFKDC-ACSPXDACSA-N 350.418 2.630 0 50 FFAA CNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 72419587 KYMSBGQZODCLIN-UHFFFAOYSA-N 356.813 2.586 0 50 FFAA CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 72164580 CIXNIIKFMTVFAI-FQEVSTJZSA-N 365.477 2.522 0 50 FFAA O=C(N1CCC([C@@H](O)CCc2ccccc2)CC1)C1(Cn2ccnc2)CC1 223525901 JVUJAFKFDNYYAA-FQEVSTJZSA-N 367.493 2.896 0 50 FFAA CSc1ncccc1C(=O)N[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 223383937 BFZGBZOBSXHRHA-GFCCVEGCSA-N 361.854 2.992 0 50 FFAA Cc1c(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cnn1C 20615217 XGHYCWLKZGIQTI-UHFFFAOYSA-N 355.345 2.719 0 50 FFAA O=C(CCc1ccc(O)cc1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 292965392 IFYPUKIEZUEGMM-NRFANRHFSA-N 357.425 2.918 0 50 FFAA COc1cc(CCC(=O)NCCc2noc(C(F)(F)F)n2)ccc1C 221172992 NBTRYCVYCOCOSA-UHFFFAOYSA-N 357.332 2.697 0 50 FFAA CN1CC[C@@]2(CCC1=O)CN(Cc1cc(C3CCCCC3)no1)CCN2C 91707514 XWIQDHAHVOEBOD-NRFANRHFSA-N 374.529 2.851 0 50 FFAA O=C(NCCCN1CCc2ccccc21)[C@@H](c1cccnc1)N1CCCC1 95386855 IZHIBMVNWOMUDY-OAQYLSRUSA-N 364.493 2.788 0 50 FFAA CCc1noc(C)c1C(=O)N[C@H]1CN(CCCSC)C[C@@H]1C1CC1 91475989 XKWWJACPSRMAHH-ZBFHGGJFSA-N 351.516 2.739 0 50 FFAA CCc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)o1 239359529 AEMZDNNPULSRJF-IBGZPJMESA-N 355.482 2.951 0 50 FFAA Cc1nccn1Cc1nc(COc2ccccc2)nn1C1CCN(C)CC1 96142306 ZTLDYAPJZHKHKX-UHFFFAOYSA-N 366.469 2.677 0 50 FFAA Cc1nc(CC2CCN(C(=O)[C@H]3CCCN(Cc4ccco4)C3)CC2)no1 95500821 IUHVKDKFYXSMTC-KRWDZBQOSA-N 372.469 2.664 0 50 FFAA O=C(c1cc(=O)c2ccccc2o1)N1CCC(Oc2cccnc2)CC1 90608673 ADRMPKQCUVPTBO-UHFFFAOYSA-N 350.374 2.872 0 50 FFAA Cc1oc(CN(C)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1C(=O)O 268924639 DBCCXNPBGACLCF-AWEZNQCLSA-N 370.405 2.836 0 50 FFAA COc1cccc2c1OC[C@@H](C(=O)NCc1ccc3c(c1)nc(C)n3C)C2 91321400 HBFNOVLCEWIYEP-INIZCTEOSA-N 365.433 2.758 0 50 FFAA O=C1NC2(CCN(Cc3nnc(C4CC4)o3)CC2)C[C@@H]1c1ccccc1 95376960 SYJPXAKYSAGASL-MRXNPFEDSA-N 352.438 2.585 0 50 FFAA CC(C)c1cc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)nc2ncnn12 91915229 SBMRHUNYRKSFLU-ZDUSSCGKSA-N 364.331 2.676 0 50 FFAA Cc1nccn1Cc1nnc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1C 95383562 KSDAWORENZVBLW-QGZVFWFLSA-N 370.501 2.655 0 50 FFAA COc1cccc(OCCN2CCN(C3Cc4ccccc4C3)CC2)c1 244718868 LSLSQIKFTBWXSF-UHFFFAOYSA-N 352.478 2.859 0 50 FFAA Cc1ccc(C2(O)CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)nc1 244858482 VLZPKELKOWDPPR-QGZVFWFLSA-N 365.477 2.651 0 50 FFAA CCc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)o1 252571532 YCORHOOHSPTVNP-RVKKMQEKSA-N 356.422 2.722 0 50 FFAA COc1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1C(=O)O 299742112 GYOKPECNKGGIKO-UHFFFAOYSA-N 369.417 2.758 0 50 FFAA COCc1noc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1 534639266 PLCIWKWBLNWUSS-GFCCVEGCSA-N 373.438 2.872 0 50 FFAA O=C(CCc1nc(-c2ccoc2)no1)Nc1cccc2c1OCC[C@H]2O 185396355 JTEZOQJYMRCGMA-CQSZACIVSA-N 355.350 2.717 0 50 FFAA COc1ccc(-n2nc(C)cc2NC(=O)CN(C)Cc2cccnc2)cc1 1940194832 VTXZNCYPECBXPR-UHFFFAOYSA-N 365.437 2.655 0 50 FFAA CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2cccc(OC)n2)cc1 299776769 LLQYZJQZXQIAKW-ZDUSSCGKSA-N 351.410 2.860 0 50 FFAA COc1ccc(OCCCN)c(C(=O)NCc2cccc(F)c2F)c1 299766009 AMIBPYJHKNNDKQ-UHFFFAOYSA-N 350.365 2.631 0 50 FFAA CCCc1cc(=O)n(-c2ccc(C(=O)NC[C@H]3CCCCN3CC)cc2)[nH]1 823008424 DQYDJZFNJPZKAF-LJQANCHMSA-N 370.497 2.722 0 50 FFAA COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CN=c1cc(-c3ccccn3)nc(C)[nH]1)C2 1875266404 HZFXHANNVPTLFO-DAYGRLMNSA-N 367.453 2.548 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(COc4ccccc4)C3)nn(C)c21 1875299943 CIZFAWQFHRHMDR-KGLIPLIRSA-N 355.438 2.593 0 50 FFAA C=CC(=O)N1CCN(C(=O)C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 1875381407 UBOJEELDUYJQLV-XHDPSFHLSA-N 371.264 2.662 0 50 FFAA O=C(Nc1cccnc1)N(Cc1ccccc1)C[C@@]1(O)CN2CCC1CC2 1875340218 QQLXZVXHXJCSEI-NRFANRHFSA-N 366.465 2.572 0 50 FFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCc3ccccn3)C3CC3)nn(C)c21 1875300132 MLXBDVFJVJRIIW-KGLIPLIRSA-N 354.454 2.685 0 50 FFAA O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N(CCO)Cc1ccco1 952971651 ORBVUEAUYUFRHM-LJQANCHMSA-N 360.429 2.967 0 50 FFAA O=c1cc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)nc2sccn12 275986385 OOHPSPBWUKRMTQ-OAHLLOKOSA-N 355.467 2.695 0 50 FFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cnoc3-c3ccccc3)CCN12 1529139776 UDDGYFONEFGXIP-DLBZAZTESA-N 355.438 2.667 0 50 FFAA CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)N(C)C1=S 1103026 GBHFVMLJPYUVIC-POHAHGRESA-N 371.256 2.583 0 50 FFAA O=C(Cc1ccc(CO)cc1)N1CCC2(CC1)OCCc1sccc12 1704301085 IYZQTZONNOFHGG-UHFFFAOYSA-N 357.475 2.874 0 50 FFAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3[nH]c(C)c(C(=O)O)c3C)C1)CC2 1704303916 LMLJNAPIFWKVMU-HXUWFJFHSA-N 368.437 2.548 0 50 FFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1615964883 PBXJCLJBORRWFC-IRXDYDNUSA-N 368.399 2.570 0 50 FFAA O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cc(N2CCOCC2)no1 1772814773 AWRFBAJOXCPBEY-UHFFFAOYSA-N 371.368 2.840 0 50 FFAA Cc1ccc(C(=O)N2CCCN(C3CCN(C(=O)C4CC4)CC3)CC2)cc1 1772813015 STNKSPWCJILUQI-UHFFFAOYSA-N 369.509 2.544 0 50 FFAA COc1cccc(CCN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 12159207 XTGRGQBQJFDYNM-IBGZPJMESA-N 353.466 2.804 0 50 FFAA O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(N2CCCCO2)nc1 12210650 OBSGTUAHLPUKMX-INIZCTEOSA-N 369.421 2.573 0 50 FFAA COCCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CCC1=O 12327263 CZLRLMQGFAGZQI-UHFFFAOYSA-N 368.477 2.946 0 50 FFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2cnsn2)C1 12438308 NEVHGXOOYUQCDG-OAHLLOKOSA-N 374.510 2.573 0 50 FFAA O=C(NCCc1cccnc1)c1cn(Cc2cccc3ccccc23)nn1 12448462 KYFCEXNLNPAWSG-UHFFFAOYSA-N 357.417 2.847 0 50 FFAA COc1cc(CNC2CCCCC2)ccc1OC[C@@H](O)CN1CCCC1 12576935 DWCQSFRSIZNXRC-IBGZPJMESA-N 362.514 2.953 0 50 FFAA O=C1N(CCCc2ccccc2)CCC[C@]12CCN(c1ncccn1)C2 12708897 JLWBITFWOYCFJW-OAQYLSRUSA-N 350.466 2.928 0 50 FFAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccccn1)CC2 14748643 SXSOZEIZRTWKRA-UHFFFAOYSA-N 364.449 2.510 0 50 FFAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccccn3)C2)s1 15073585 UTHUVIGAWCTMKB-HNNXBMFYSA-N 357.479 2.549 0 50 FFAA COc1ccc(Cc2noc(-c3ccc(N4CCC[C@H](O)C4)nc3)n2)cc1 19146811 BPWODUSQICODFT-INIZCTEOSA-N 366.421 2.692 0 50 FFAA COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1F 19872206 JKXOMJXVSNTCGP-UHFFFAOYSA-N 374.456 2.835 0 50 FFAA FC(F)(F)c1nnc(N2CCN(Cc3cn4ccccc4n3)CC2)s1 153364887 SJPXGADLMRTORS-UHFFFAOYSA-N 368.388 2.527 0 50 FFAA O=C([C@@H]1CCOC1)N1CCC(C2CCN(c3ccncc3F)CC2)CC1 1857723065 VTTJUKVCNCGBQE-QGZVFWFLSA-N 361.461 2.712 0 50 FFAA CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O 2579062 NJTOKQLVHXSRPR-SJCJKPOMSA-N 364.467 2.683 0 50 FFAA in-vitro CC1CCN(C(=O)c2ccccc2NC(=O)COC[C@@H]2CCOC2)CC1 117623998 UQSUNJSGYFAUJS-MRXNPFEDSA-N 360.454 2.550 0 50 FFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2ccc(Br)cc2F)C1 237776858 CFACHWHDQSMIBB-HNNXBMFYSA-N 358.207 2.844 0 50 FFAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)Cc2cccnc2)cc1 247894586 NYRLCYXXSJUHNI-UXHICEINSA-N 365.477 2.756 0 50 FFAA CON(C)C(=O)C1CCN(Cc2csc(Cc3ccccc3)n2)CC1 812871700 KXTJHBPVLFQZGT-UHFFFAOYSA-N 359.495 2.966 0 50 FFAA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1OC 792998 QQVJJQGQZTYPBZ-UHFFFAOYSA-N 362.451 2.978 0 50 FFAA COc1ccccc1CCNC(=O)C[C@H](C(=O)O)c1ccccc1OC 1857797683 QPPPRJXAGWYKRM-INIZCTEOSA-N 357.406 2.621 0 50 FFAA CN(C(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)C1CN(C(=O)c2cccc(F)c2F)C1 2325829542 MIUGSTSLBOTKPH-UEXPRFDQSA-N 360.404 2.540 0 50 FFAA Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)cc1C 816836 LDMXKXRHTXWRLB-UHFFFAOYSA-N 360.479 2.728 0 50 FFAA CCOc1ccc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1 1160425 RKCFKQMLUHLXPK-ZDUSSCGKSA-N 369.215 2.649 0 50 FFAA CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 1178210 XVWNQBATDIIJCA-UHFFFAOYSA-N 362.451 2.653 0 50 FFAA Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 2859109 PZCRSUGWZZMAHC-UHFFFAOYSA-N 367.430 2.656 0 50 FFAA O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 4812139 XLRYNLAQFRRTLC-UFBFGSQYSA-N 355.272 2.970 0 50 FFAA O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1nc2c(s1)CCCC2 56901004 OMFFDOXXJOPACM-UHFFFAOYSA-N 372.475 2.946 0 50 FFAA COCCN1CCC(CN(C)[C@@H](C(=O)O)c2ccc(F)c(C)c2)CC1 55306975 PWBBKZJUXQITTM-GOSISDBHSA-N 352.450 2.550 0 50 FFAA CSc1ccccc1C(=O)N1CCC(Cn2cc([C@@H](C)O)nn2)CC1 20599506 SOAVHZQIRIFAOX-CYBMUJFWSA-N 360.483 2.606 0 50 FFAA COc1ccc(C)cc1[C@@H](C(=O)O)N1CCCN(c2ccncc2)CC1 55244652 BGJANONNGQHWKL-IBGZPJMESA-N 355.438 2.737 0 50 FFAA Cc1nc[nH]c1CN1CCC(n2cc(CN3CCCCCC3)nn2)CC1 20855810 RTFKDKLBVSBXDR-UHFFFAOYSA-N 357.506 2.523 0 50 FFAA Cc1ccc2[nH]cnc2c1NC(=O)c1ccc(CN2CC[C@H](O)C2)cc1 67842118 QVNMRBPKEMBOBR-INIZCTEOSA-N 350.422 2.690 0 50 FFAA CCc1nccn1CCc1nc(C2CC2)nn1-c1ccc2c(c1)OCCO2 65404833 QVQGALBIOYIDME-UHFFFAOYSA-N 365.437 2.918 0 50 FFAA COC(=O)[C@H](Nc1cc(C)nc(-c2cccnc2)n1)c1ccc(O)cc1 65372779 PIFZCCBWJOGNSC-QGZVFWFLSA-N 350.378 2.879 0 50 FFAA COc1c(C)cnc(Cn2ncc(N(C)Cc3ccccc3)cc2=O)c1C 20541594 UCJPJIRSIWOSNB-UHFFFAOYSA-N 364.449 2.948 0 50 FFAA COCCc1noc([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)n1 72127477 PGZDQQPUBROFJV-QGZVFWFLSA-N 367.453 2.824 0 50 FFAA Cc1nc(CCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)nc2c1CCCC2 219716683 YEJUADZLGQMPJO-HXUWFJFHSA-N 370.472 2.765 0 50 FFAA O[C@@H]1CN(Cc2cccc3nsnc23)CC[C@H]1c1ccc2c(c1)OCO2 65371977 ZTRAFLFSKQROSQ-GOEBONIOSA-N 369.446 2.770 0 50 FFAA CCn1ccnc1CN(Cc1ccc2c[nH]nc2c1)[C@@H]1CC12CCNCC2 328626672 FINCZQZRKMCOQK-LJQANCHMSA-N 364.497 2.924 0 50 FFAA CNC(=O)c1ccn([C@@H]2CCCN(C[C@H]3CCc4ccccc4C3)C2)n1 328653190 WUHFSHNHTQSQMI-QFBILLFUSA-N 352.482 2.685 0 50 FFAA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2coc3ccccc23)CC(=O)N1C 328626442 LRQJRVLYBBAZBB-OXQOHEQNSA-N 352.438 2.845 0 50 FFAA Cc1nnc(CN(C)C(=O)CCCc2nc(-c3ccccc3C)no2)o1 219341235 OSMYZWXGHDITEO-UHFFFAOYSA-N 355.398 2.718 0 50 FFAA COC(=O)[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)OC(C)(C)C 32919518 PPZUUAMKHWZZRU-ZFWWWQNUSA-N 368.861 2.981 0 50 FFAA O=C(NCc1cccnc1-n1cnc2ccccc21)C(=O)Nc1ccccc1 67843125 KKACUTKUPMUWIS-UHFFFAOYSA-N 371.400 2.675 0 50 FFAA CCNc1cc(C)nc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)n1 32498033 ZSQZQGKKLGOQGL-UHFFFAOYSA-N 370.457 2.580 0 50 FFAA Cc1noc(C)c1COc1ccccc1C(=O)N1CC[C@](C)(C(=O)O)C1 237630561 HLSNRYXVVJQENQ-IBGZPJMESA-N 358.394 2.807 0 50 FFAA c1ccc(-n2cc(CN3CCC(c4nnc5ccccn45)CC3)nn2)cc1 72154494 YZTFIPIGQCOOAS-UHFFFAOYSA-N 359.437 2.690 0 50 FFAA Cc1nc(-c2cccc(NC(=O)c3ccoc3C3(O)CCOCC3)c2)n[nH]1 253419227 CAAFISJHGTVGKN-UHFFFAOYSA-N 368.393 2.623 0 50 FFAA Cc1ccccc1S(=O)(=O)n1cc(OC(=O)c2ccccc2F)cc1N 253428425 QCZFHRZPDIESJE-UHFFFAOYSA-N 374.393 2.974 0 50 FFAA COc1c(C)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C 151244527 QEUIWONYOKLWIT-CXAGYDPISA-N 363.483 2.780 0 50 FFAA Cn1cnc(S(=O)(=O)N2CCC[C@H](CCc3ccccc3F)C2)c1 72129709 DLSWBNWKGVFXHI-CQSZACIVSA-N 351.447 2.593 0 50 FFAA O=C(O)c1cc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77437886 LHQLYDCOSHBJKA-FQEVSTJZSA-N 357.454 2.931 0 50 FFAA O=C(c1ocnc1C1CC1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 377827101 SRVTVFLOJLOYMQ-OAHLLOKOSA-N 368.437 2.841 0 50 FFAA COc1cccc(N2CCN(C(=O)CCc3ccccc3OC)CC2=O)c1 85532881 VWUMOSYBDYWBPB-UHFFFAOYSA-N 368.433 2.512 0 50 FFAA CC[C@@H](NS(=O)(=O)c1ccc(-c2c(C)noc2C)s1)C1CC(O)C1 222911395 ITNZHRYCQFBIMT-WXRRBKDZSA-N 370.496 2.848 0 50 FFAA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1csc(-c3cccs3)n1)CC2 82138749 HZJKGSDUFPBZJI-UHFFFAOYSA-N 372.475 2.504 0 50 FFAA CCCc1cc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)n(C)n1 82172022 XGWVDIDMABIDEK-CYBMUJFWSA-N 374.872 2.904 0 50 FFAA CO[C@@]12CC[C@H](Oc3ccccn3)C[C@@H]1N(Cc1c(C)cnn1C)CC2 426634149 HVVZZILCEUWJEX-XKGZKEIXSA-N 356.470 2.715 0 50 FFAA CC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95382395 AWXFTFRNONFISP-FCHUYYIVSA-N 371.569 2.941 0 50 FFAA O=C(Cn1ccnc1-c1ccccc1)N1CCN(C2CCSCC2)CC1 95508436 UEOABGQMTJOSTP-UHFFFAOYSA-N 370.522 2.590 0 50 FFAA COc1cc(C)sc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91951520 VPJVDFRJWYUJBI-XIKOKIGWSA-N 353.484 2.705 0 50 FFAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cc2sc(N)nc12 95378478 UVPIIBXGIJLGMM-CYBMUJFWSA-N 366.446 2.722 0 50 FFAA CCn1c(Cn2cncn2)nnc1C1CCN(CC2CCCCC2)CC1 91461462 HROGQOZHFXGVQN-UHFFFAOYSA-N 357.506 2.698 0 50 FFAA O=C(NC[C@@H]1CCCN(CCn2cnnc2)C1)c1cccc2ccccc12 95503074 MPJBCYVTODIUJP-KRWDZBQOSA-N 363.465 2.573 0 50 FFAA Cc1cc2nc(C(=O)N[C@@H](C)CN3CCc4ccccc4C3)cc(C)n2n1 97499573 PGGKYMNROVELJF-HNNXBMFYSA-N 363.465 2.523 0 50 FFAA Cc1nc2sc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(C)c2c(=O)[nH]1 97732571 UEGXFVSSUKGVMY-SECBINFHSA-N 367.434 2.969 0 50 FFAA Fc1cnccc1N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91987088 QVXYQCOPLUJEBT-UHFFFAOYSA-N 367.432 2.776 0 50 FFAA COc1ccccc1OCCCN1CCN(C2CCSCC2)CC1 244574820 CRZLWHYDKHIYDY-UHFFFAOYSA-N 350.528 2.977 0 50 FFAA Cc1nccn1CC1CCN(CCN2CCN(c3ccccc3)CC2)CC1 244900001 ZUCIAXQZTUBKFB-UHFFFAOYSA-N 367.541 2.726 0 50 FFAA Cc1nc(NC(=O)CN(C)Cc2cnc3ccccc3c2)sc1C(=O)O 244724682 MYNSZJAYLCYWAJ-UHFFFAOYSA-N 370.434 2.768 0 50 FFAA Cc1nc(O)cc([C@H]2C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2)n1 253535312 SJYGXMGHGYFVFS-CTYIDZIISA-N 372.494 2.693 0 50 FFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2nncs2)CC1 252461456 MPQBIWRBISQCLJ-JOCQHMNTSA-N 369.450 2.693 0 50 FFAA CC(C)C[C@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)c1ncnn1C 534676905 GNRXQSWUVJIUKP-KRWDZBQOSA-N 371.485 2.596 0 50 FFAA O=C(NC[C@H]1COCCO1)Nc1ccccc1OCCOc1ccccc1 299778202 PRJJMBVXHUPFFV-KRWDZBQOSA-N 372.421 2.681 0 50 FFAA O=C(C1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC=C(c2ccccc2)CC1 299797199 MOZPEDAUPDDMNY-HXUWFJFHSA-N 368.477 2.720 0 50 FFAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)nn1C 299801063 YCPZBYOUOXHQJO-CYBMUJFWSA-N 353.430 2.971 0 50 FFAA Cc1cc(F)cc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 299765507 BMCKBIIGHGOZCU-UHFFFAOYSA-N 352.417 2.749 0 50 FFAA Cc1ccc(C(=O)NC[C@H]2COc3ccccc3C2)cc1N1CCNC1=O 299780186 KEYQOOAXUPVDPX-HNNXBMFYSA-N 365.433 2.506 0 50 FFAA Cn1nc2c(c1C(=O)NCC1(c3cccc(F)c3)CCOCC1)CCCC2 299782275 FRHQTVRIOCUOTD-UHFFFAOYSA-N 371.456 2.916 0 50 FFAA COc1ccc2c(c1)c(C(=O)NCCCc1csc(N)n1)c(C)n2C 824757923 YRZMFIXSGJMSHG-UHFFFAOYSA-N 358.467 2.897 0 50 FFAA Cc1cc(S(=O)(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)c(C)cc1Cl 827926853 DHMZJNKJGGKHBE-CQSZACIVSA-N 372.918 2.882 0 50 FFAA CCCc1nc(C)c(CNS(=O)(=O)N(C)Cc2ccccc2)s1 823015202 WYXDCZXVVLKJFA-UHFFFAOYSA-N 353.513 2.870 0 50 FFAA COc1ccccc1Cc1nc([C@@H]2CC23CCNCC3)n(CC(C)(C)O)n1 824821921 ZVQWMOVJJIZREP-INIZCTEOSA-N 370.497 2.506 0 50 FFAA Cc1ccc([C@H](NC(=O)NCC2(O)CCN(C)CC2)c2cccs2)cc1 584886690 XPRGLMGDWXDOAA-SFHVURJKSA-N 373.522 2.902 0 50 FFAA O=C(O)[C@H]1CC12CC(C(=O)N1CCC[C@@H](c3nc4ccccc4[nH]3)C1)C2 1875278093 YIRPFLUVOYPAFB-ZMNLLHDNSA-N 353.422 2.770 0 50 FFAA O=C(N=c1cc(C2CCOCC2)o[nH]1)N1CCO[C@H](c2ccccc2)C1 1875264135 OQUZGTSIMOJPDG-KRWDZBQOSA-N 357.410 2.596 0 50 FFAA COc1ccc2nc3c(cc2c1)c(=N)[nH]n3C(=O)c1cccc(N(C)C)c1 1875387926 FOPGWYNECVPSOQ-UHFFFAOYSA-N 361.405 2.760 0 50 FFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H](C)Cn2cncn2)s1 952861424 FNEQBRCYPCPLBS-CQSZACIVSA-N 355.467 2.908 0 50 FFAA CCc1nccn1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 952977104 OMEDSDXMGGXRPY-KRWDZBQOSA-N 368.481 2.738 0 50 FFAA COc1ccnc(CN2CCC[C@H](CNC(=O)c3occc3C)C2)c1OC 952986222 FTVVSPSLIBXOAI-OAHLLOKOSA-N 373.453 2.642 0 50 FFAA C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCN[C@@H]([C@H]3CCCO3)C2)n1 1343303711 XKINKXNGKJABIL-NXWXRZEISA-N 368.481 2.978 0 50 FFAA C[C@H]1CN(C(=O)Cc2csc(COc3ccccc3)n2)CC[C@H]1CN 1341879731 SYZZLZJIYNMBIN-GJZGRUSLSA-N 359.495 2.708 0 50 FFAA C[C@H](CCc1ccc2c(c1)OCO2)N[C@H]1CCCO[C@@H]1c1nccn1C 275402482 CLYJOGLURCGQGK-ALKREAHSSA-N 357.454 2.980 0 50 FFAA O=C(CCCN1C(=O)N[C@@H](c2ccccc2)C1=O)N1Cc2ccccc2C1 170592586 SOBJBAFOQATUPG-IBGZPJMESA-N 363.417 2.602 0 50 FFAA Cc1ccc(OCCN(C)c2cc(N3CCC[C@H](CO)C3)ncn2)cc1 110123931 NUZWJTZMFHCXCD-KRWDZBQOSA-N 356.470 2.509 0 50 FFAA CC(C)NC(=O)CCCC(=O)NCc1c(F)c(F)c(F)c(F)c1F 225564597 IRRSWEVEKRHRHJ-UHFFFAOYSA-N 352.303 2.693 0 50 FFAA Cc1cnn(CCCCCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 111901974 LUSFPKYOWDZLIE-UHFFFAOYSA-N 364.467 2.997 0 50 FFAA CC1(C)Cc2cccc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)c2O1 192641860 MOIMJTYARLESLL-MRXNPFEDSA-N 374.462 2.637 0 50 FFAA C[C@@H](NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc2c(c1)OCCO2 194065412 MIMRKJKNLZINLF-TZMCWYRMSA-N 372.387 2.909 0 50 FFAA COc1cccc2c1CCN(C(=O)N[C@H]1COc3ccccc3C1)CC2 194266967 BYKXMTOEYIOWEB-QGZVFWFLSA-N 352.434 2.809 0 50 FFAA COC[C@@H]1CCCN(S(=O)(=O)NC2c3ccccc3-c3ccccc32)C1 1506407012 IAWBXWHOYNRRES-OAHLLOKOSA-N 372.490 2.949 0 50 FFAA CCN(CCn1cccn1)C(=O)c1ccc(-c2ccc(OC)cc2)nc1O 1506423193 GBWPYCRQXWFXNJ-UHFFFAOYSA-N 366.421 2.822 0 50 FFAA COc1cc(CCC(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)ccc1C 1529171768 AYADJIUPBYWQKB-FGTMMUONSA-N 358.482 2.652 0 50 FFAA CNC(=O)Cn1cc(NC(=O)c2cccc(-c3ccccc3F)c2)cn1 1529161814 QVGORLDQOVMPOT-UHFFFAOYSA-N 352.369 2.688 0 50 FFAA Cc1nc(N)ncc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529120646 HHNIGHNLIRXIGV-DLBZAZTESA-N 354.454 2.996 0 50 FFAA COc1cccc(-c2cc(CNC(=O)c3onc4ncccc34)no2)c1 1775977145 HNCQHKYRKHVENK-UHFFFAOYSA-N 350.334 2.816 0 50 FFAA CN1C(=O)C[C@](CC(=O)N(C)C2CCCCC2)(c2cccc(F)c2)C1=O 12040922 UEWNRVHQJPJFQV-HXUWFJFHSA-N 360.429 2.633 0 50 FFAA CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O 12495519 SAKGBZWJAIABSY-PJCXKLBTSA-N 352.471 2.819 0 50 FFAA endogenous,in-man COc1ccccc1OCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2)C1 12574470 QFIOLFGQDLLBFW-NRFANRHFSA-N 358.482 2.799 0 50 FFAA CCOC(=O)c1ccc(NC(=S)N2CCC[C@H](C(=O)OCC)C2)cc1 13497353 ZROHDLGSFNPGTL-AWEZNQCLSA-N 364.467 2.835 0 50 FFAA O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(F)c(F)c1 16648291 PDAFIILJDKOTNV-QGZVFWFLSA-N 360.360 2.721 0 50 FFAA Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 19866086 ZBDOGPVNOUJXPV-UHFFFAOYSA-N 352.434 2.990 0 50 FFAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCCCO 1857674177 VTCZMXAOUPVXRU-ZDUSSCGKSA-N 365.861 2.976 0 50 FFAA CN(C)c1cccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](c4ccccc4)CN3C2)c1 1857730956 FBEDCPTZQXDHOL-HLAWJBBLSA-N 365.477 2.697 0 50 FFAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857735466 OWPGBJNHQJTMGF-XHYAQGIWSA-N 367.493 2.586 0 50 FFAA OC[C@]1(Cc2ccc(F)cc2)CN(c2ncc(Cl)cc2F)CC[C@@H]1O 1857739252 GLBJYZHXCAWTKC-WMZOPIPTSA-N 368.811 2.806 0 50 FFAA O=C(O)C(=O)NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 225608181 IMJKHJIUWDWQHQ-UHFFFAOYSA-N 369.808 2.936 0 50 FFAA Cc1ccc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c(Cl)c1 331583763 RSUWLLYTAFYSDD-MRXNPFEDSA-N 360.845 2.718 0 50 FFAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CCOCC1 238068316 NOZDHAGARZLPEM-HUUCEWRRSA-N 351.830 2.926 0 50 FFAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCc2nc[nH]c2C1 378108020 AYTWIILSKPMHQF-CYBMUJFWSA-N 357.845 2.944 0 50 FFAA Cc1nnc(-c2ccc(C(=O)N3CCCN(c4nccs4)CC3)cc2)o1 266123654 IQHRVMFFIYIIGR-UHFFFAOYSA-N 369.450 2.854 0 50 FFAA Cc1ccc2n1CCN(S(=O)(=O)c1ccc(N3CCCC3=O)cc1)[C@@H]2C 1425244 CEGVWIFRXTXAPR-OAHLLOKOSA-N 373.478 2.689 0 50 FFAA O=c1ccc(-c2nnc(S)n2-c2cc(C(F)(F)F)ccc2Cl)n[nH]1 9111645 WZESTBKAKCFIQV-UHFFFAOYSA-N 373.747 2.979 0 50 FFAA Cc1cc(Cn2nnc(C(=O)OCc3nc4c(s3)CCCC4)c2C)no1 2325769838 VNALBHHYYCATFY-UHFFFAOYSA-N 373.438 2.624 0 50 FFAA Cc1c(C(=O)N2CCC3(CC[C@@H]3O)CC2)cnn1-c1ccc(F)cc1F 2325803698 WHFOMOQQHNVMGG-KRWDZBQOSA-N 361.392 2.836 0 50 FFAA OC[C@@]12CCC[C@@H](CN(c3ccnc4cc(Cl)c(F)cc34)C1)[C@H]2O 2325821517 UYBWKGXBBIBICV-UZCIPKQKSA-N 350.821 2.987 0 50 FFAA Cc1cnccc1C(=O)N[C@H]1C[C@H]2C[C@@H](NC(=O)c3ccco3)C[C@H]2C1 2325855315 SECXISDKXWKHNC-GEEKYZPCSA-N 353.422 2.700 0 50 FFAA